USER MOD reduce.3.24.130724 H: found=0, std=0, add=1059, rem=0, adj=23 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 Set 1.1: C 216 SER OG : rot 176:sc= -0.522 USER MOD Set 1.2: C 217 HIS : no HE2:sc= -0.93 K(o=-1.5,f=-2.1!) USER MOD Set 2.1: A 61 TYR OH : rot 15:sc= -0.103 USER MOD Set 2.2: C 230 ASN : amide:sc= -0.571 K(o=-0.67,f=-2.2) USER MOD Set 3.1: A 16 SER OG : rot 160:sc= -0.501 USER MOD Set 3.2: A 17 HIS : no HD1:sc= 0 X(o=-0.5,f=-0.5) USER MOD Single : A 22 ASN : amide:sc= -0.557 X(o=-0.56,f=-1) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 HIS : no HD1:sc= -1.19 X(o=-1.2,f=-1.1) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -0.151 X(o=-0.15,f=0) USER MOD Single : A 31 THR OG1 : rot -150:sc= -0.832 USER MOD Single : A 33 ASN :FLIP amide:sc= -0.0339 F(o=-0.59,f=-0.034) USER MOD Single : A 37 GLN : amide:sc= -6.04! C(o=-6!,f=-12!) USER MOD Single : A 43 LYS NZ :NH3+ -166:sc= 0.254 (180deg=0.139) USER MOD Single : A 48 GLN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 54 LYS NZ :NH3+ 147:sc= 0.183 (180deg=0.00321) USER MOD Single : A 56 LYS NZ :NH3+ 171:sc= 0.961 (180deg=0.59) USER MOD Single : A 59 GLN : amide:sc= 0.746 K(o=0.75,f=-3.3!) USER MOD Single : A 64 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.056) USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 123 SER OG : rot 57:sc= 0.276 USER MOD Single : B 124 MET CE :methyl 163:sc= -0.0958 (180deg=-0.487) USER MOD Single : B 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 222 ASN : amide:sc= -0.955 X(o=-0.95,f=-0.95) USER MOD Single : C 224 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 225 HIS :FLIP no HD1:sc= -1.16 F(o=-2.2,f=-1.2) USER MOD Single : C 227 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 231 THR OG1 : rot 146:sc= 0.935 USER MOD Single : C 233 ASN :FLIP amide:sc= -0.0161 F(o=-0.6,f=-0.016) USER MOD Single : C 237 GLN : amide:sc= -0.371 X(o=-0.37,f=-0.44) USER MOD Single : C 243 LYS NZ :NH3+ 178:sc= 2.53 (180deg=2.38) USER MOD Single : C 248 GLN : amide:sc= -1.23 K(o=-1.2,f=-2.9!) USER MOD Single : C 254 LYS NZ :NH3+ 167:sc= -0.49! (180deg=-1.46!) USER MOD Single : C 256 LYS NZ :NH3+ 163:sc= -0.0562 (180deg=-0.416) USER MOD Single : C 259 GLN :FLIP amide:sc= -5.67! C(o=-6.8!,f=-5.7!) USER MOD Single : C 261 TYR OH : rot 180:sc= -0.037 USER MOD Single : C 264 LYS NZ :NH3+ 172:sc=-0.00122 (180deg=-0.0634) USER MOD Single : C 267 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : D 323 SER OG : rot 19:sc= 1.27 USER MOD Single : D 324 MET CE :methyl 141:sc= -0.211 (180deg=-0.981) USER MOD Single : D 325 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 115 N ARG A 8 1.916 10.228 -15.141 1.00 54.31 N ATOM 116 CA ARG A 8 0.477 10.242 -15.034 1.00 74.21 C ATOM 117 C ARG A 8 0.074 9.293 -13.947 1.00 23.42 C ATOM 118 O ARG A 8 0.873 8.465 -13.520 1.00 5.21 O ATOM 119 CB ARG A 8 -0.197 9.838 -16.355 1.00 40.42 C ATOM 120 CG ARG A 8 0.100 10.769 -17.508 1.00 24.23 C ATOM 121 CD ARG A 8 -0.623 10.348 -18.770 1.00 53.44 C ATOM 122 NE ARG A 8 -0.318 11.247 -19.885 1.00 4.50 N ATOM 123 CZ ARG A 8 -1.036 11.342 -21.013 1.00 34.21 C ATOM 124 NH1 ARG A 8 -2.126 10.597 -21.182 1.00 73.23 N ATOM 125 NH2 ARG A 8 -0.660 12.186 -21.965 1.00 61.00 N ATOM 0 HA ARG A 8 0.153 11.256 -14.801 1.00 74.21 H new ATOM 0 HB2 ARG A 8 0.125 8.832 -16.622 1.00 40.42 H new ATOM 0 HB3 ARG A 8 -1.276 9.798 -16.203 1.00 40.42 H new ATOM 0 HG2 ARG A 8 -0.195 11.784 -17.241 1.00 24.23 H new ATOM 0 HG3 ARG A 8 1.174 10.788 -17.693 1.00 24.23 H new ATOM 0 HD2 ARG A 8 -0.337 9.330 -19.033 1.00 53.44 H new ATOM 0 HD3 ARG A 8 -1.698 10.340 -18.590 1.00 53.44 H new ATOM 0 HE ARG A 8 0.503 11.846 -19.797 1.00 4.50 H new ATOM 0 HH11 ARG A 8 -2.419 9.949 -20.451 1.00 73.23 H new ATOM 0 HH12 ARG A 8 -2.668 10.674 -22.043 1.00 73.23 H new ATOM 0 HH21 ARG A 8 0.173 12.760 -21.837 1.00 61.00 H new ATOM 0 HH22 ARG A 8 -1.204 12.261 -22.824 1.00 61.00 H new ATOM 139 N CYS A 9 -1.118 9.418 -13.481 1.00 51.43 N ATOM 140 CA CYS A 9 -1.577 8.581 -12.418 1.00 11.13 C ATOM 141 C CYS A 9 -2.352 7.411 -12.992 1.00 70.23 C ATOM 142 O CYS A 9 -3.174 7.602 -13.891 1.00 70.40 O ATOM 143 CB CYS A 9 -2.497 9.395 -11.522 1.00 10.04 C ATOM 144 SG CYS A 9 -1.771 10.956 -10.960 1.00 75.53 S ATOM 0 H CYS A 9 -1.801 10.096 -13.819 1.00 51.43 H new ATOM 0 HA CYS A 9 -0.727 8.207 -11.848 1.00 11.13 H new ATOM 0 HB2 CYS A 9 -3.420 9.607 -12.061 1.00 10.04 H new ATOM 0 HB3 CYS A 9 -2.766 8.796 -10.652 1.00 10.04 H new ATOM 149 N PRO A 10 -2.069 6.174 -12.522 1.00 33.51 N ATOM 150 CA PRO A 10 -2.820 4.981 -12.915 1.00 63.01 C ATOM 151 C PRO A 10 -4.316 5.200 -12.722 1.00 23.05 C ATOM 152 O PRO A 10 -5.122 4.962 -13.615 1.00 71.34 O ATOM 153 CB PRO A 10 -2.313 3.920 -11.937 1.00 2.21 C ATOM 154 CG PRO A 10 -0.930 4.344 -11.619 1.00 51.44 C ATOM 155 CD PRO A 10 -0.956 5.841 -11.611 1.00 32.11 C ATOM 0 HA PRO A 10 -2.681 4.713 -13.962 1.00 63.01 H new ATOM 0 HB2 PRO A 10 -2.932 3.878 -11.041 1.00 2.21 H new ATOM 0 HB3 PRO A 10 -2.331 2.926 -12.384 1.00 2.21 H new ATOM 0 HG2 PRO A 10 -0.613 3.953 -10.652 1.00 51.44 H new ATOM 0 HG3 PRO A 10 -0.225 3.969 -12.361 1.00 51.44 H new ATOM 0 HD2 PRO A 10 -1.127 6.234 -10.609 1.00 32.11 H new ATOM 0 HD3 PRO A 10 -0.013 6.260 -11.961 1.00 32.11 H new ATOM 163 N CYS A 11 -4.679 5.656 -11.570 1.00 71.12 N ATOM 164 CA CYS A 11 -6.037 5.971 -11.313 1.00 73.42 C ATOM 165 C CYS A 11 -6.245 7.451 -11.461 1.00 34.51 C ATOM 166 O CYS A 11 -5.734 8.237 -10.674 1.00 52.42 O ATOM 167 CB CYS A 11 -6.470 5.473 -9.950 1.00 61.15 C ATOM 168 SG CYS A 11 -6.346 3.668 -9.782 1.00 2.52 S ATOM 0 H CYS A 11 -4.045 5.819 -10.788 1.00 71.12 H new ATOM 0 HA CYS A 11 -6.665 5.460 -12.043 1.00 73.42 H new ATOM 0 HB2 CYS A 11 -5.856 5.947 -9.184 1.00 61.15 H new ATOM 0 HB3 CYS A 11 -7.500 5.780 -9.767 1.00 61.15 H new ATOM 173 N ARG A 12 -6.960 7.833 -12.485 1.00 63.10 N ATOM 174 CA ARG A 12 -7.225 9.239 -12.731 1.00 30.32 C ATOM 175 C ARG A 12 -8.307 9.700 -11.766 1.00 14.02 C ATOM 176 O ARG A 12 -8.333 10.845 -11.321 1.00 31.13 O ATOM 177 CB ARG A 12 -7.680 9.428 -14.180 1.00 50.33 C ATOM 178 CG ARG A 12 -7.880 10.869 -14.599 1.00 43.11 C ATOM 179 CD ARG A 12 -8.362 10.954 -16.034 1.00 54.42 C ATOM 180 NE ARG A 12 -8.541 12.340 -16.475 1.00 65.13 N ATOM 181 CZ ARG A 12 -9.418 12.743 -17.406 1.00 60.00 C ATOM 182 NH1 ARG A 12 -10.269 11.878 -17.950 1.00 14.30 N ATOM 183 NH2 ARG A 12 -9.451 14.016 -17.784 1.00 63.53 N ATOM 0 H ARG A 12 -7.373 7.196 -13.167 1.00 63.10 H new ATOM 0 HA ARG A 12 -6.323 9.831 -12.575 1.00 30.32 H new ATOM 0 HB2 ARG A 12 -6.943 8.971 -14.840 1.00 50.33 H new ATOM 0 HB3 ARG A 12 -8.616 8.889 -14.326 1.00 50.33 H new ATOM 0 HG2 ARG A 12 -8.604 11.346 -13.939 1.00 43.11 H new ATOM 0 HG3 ARG A 12 -6.943 11.416 -14.493 1.00 43.11 H new ATOM 0 HD2 ARG A 12 -7.645 10.456 -16.687 1.00 54.42 H new ATOM 0 HD3 ARG A 12 -9.306 10.418 -16.131 1.00 54.42 H new ATOM 0 HE ARG A 12 -7.954 13.052 -16.041 1.00 65.13 H new ATOM 0 HH11 ARG A 12 -10.258 10.900 -17.660 1.00 14.30 H new ATOM 0 HH12 ARG A 12 -10.933 12.192 -18.658 1.00 14.30 H new ATOM 0 HH21 ARG A 12 -8.809 14.689 -17.366 1.00 63.53 H new ATOM 0 HH22 ARG A 12 -10.119 14.321 -18.492 1.00 63.53 H new ATOM 197 N PHE A 13 -9.171 8.774 -11.425 1.00 32.25 N ATOM 198 CA PHE A 13 -10.239 9.006 -10.495 1.00 5.20 C ATOM 199 C PHE A 13 -10.240 7.859 -9.513 1.00 40.23 C ATOM 200 O PHE A 13 -9.814 6.754 -9.860 1.00 63.51 O ATOM 201 CB PHE A 13 -11.589 9.095 -11.220 1.00 35.52 C ATOM 202 CG PHE A 13 -11.651 10.180 -12.261 1.00 12.22 C ATOM 203 CD1 PHE A 13 -11.750 11.505 -11.888 1.00 21.41 C ATOM 204 CD2 PHE A 13 -11.607 9.869 -13.609 1.00 55.31 C ATOM 205 CE1 PHE A 13 -11.799 12.502 -12.835 1.00 23.22 C ATOM 206 CE2 PHE A 13 -11.658 10.862 -14.562 1.00 74.22 C ATOM 207 CZ PHE A 13 -11.753 12.181 -14.176 1.00 51.34 C ATOM 0 H PHE A 13 -9.147 7.824 -11.795 1.00 32.25 H new ATOM 0 HA PHE A 13 -10.090 9.954 -9.979 1.00 5.20 H new ATOM 0 HB2 PHE A 13 -11.799 8.137 -11.695 1.00 35.52 H new ATOM 0 HB3 PHE A 13 -12.375 9.265 -10.484 1.00 35.52 H new ATOM 0 HD1 PHE A 13 -11.789 11.763 -10.840 1.00 21.41 H new ATOM 0 HD2 PHE A 13 -11.532 8.837 -13.917 1.00 55.31 H new ATOM 0 HE1 PHE A 13 -11.873 13.535 -12.529 1.00 23.22 H new ATOM 0 HE2 PHE A 13 -11.624 10.607 -15.611 1.00 74.22 H new ATOM 0 HZ PHE A 13 -11.791 12.962 -14.921 1.00 51.34 H new ATOM 217 N PHE A 14 -10.686 8.111 -8.316 1.00 1.14 N ATOM 218 CA PHE A 14 -10.658 7.116 -7.260 1.00 51.50 C ATOM 219 C PHE A 14 -11.966 7.033 -6.481 1.00 74.40 C ATOM 220 O PHE A 14 -12.625 8.033 -6.260 1.00 72.23 O ATOM 221 CB PHE A 14 -9.443 7.340 -6.338 1.00 61.11 C ATOM 222 CG PHE A 14 -9.187 8.789 -5.975 1.00 63.43 C ATOM 223 CD1 PHE A 14 -10.055 9.499 -5.167 1.00 20.40 C ATOM 224 CD2 PHE A 14 -8.060 9.430 -6.453 1.00 53.03 C ATOM 225 CE1 PHE A 14 -9.805 10.819 -4.849 1.00 22.55 C ATOM 226 CE2 PHE A 14 -7.804 10.747 -6.137 1.00 63.21 C ATOM 227 CZ PHE A 14 -8.678 11.443 -5.334 1.00 33.45 C ATOM 0 H PHE A 14 -11.081 9.009 -8.035 1.00 1.14 H new ATOM 0 HA PHE A 14 -10.546 6.143 -7.738 1.00 51.50 H new ATOM 0 HB2 PHE A 14 -9.589 6.769 -5.421 1.00 61.11 H new ATOM 0 HB3 PHE A 14 -8.554 6.938 -6.825 1.00 61.11 H new ATOM 0 HD1 PHE A 14 -10.940 9.015 -4.780 1.00 20.40 H new ATOM 0 HD2 PHE A 14 -7.369 8.891 -7.084 1.00 53.03 H new ATOM 0 HE1 PHE A 14 -10.494 11.362 -4.219 1.00 22.55 H new ATOM 0 HE2 PHE A 14 -6.918 11.232 -6.519 1.00 63.21 H new ATOM 0 HZ PHE A 14 -8.480 12.475 -5.085 1.00 33.45 H new ATOM 237 N GLU A 15 -12.310 5.834 -6.087 1.00 14.14 N ATOM 238 CA GLU A 15 -13.518 5.519 -5.349 1.00 65.33 C ATOM 239 C GLU A 15 -13.315 5.755 -3.854 1.00 55.54 C ATOM 240 O GLU A 15 -12.197 5.632 -3.346 1.00 21.23 O ATOM 241 CB GLU A 15 -13.904 4.037 -5.577 1.00 35.32 C ATOM 242 CG GLU A 15 -14.476 3.678 -6.960 1.00 50.23 C ATOM 243 CD GLU A 15 -13.559 3.934 -8.150 1.00 72.05 C ATOM 244 OE1 GLU A 15 -13.613 5.047 -8.724 1.00 1.20 O ATOM 245 OE2 GLU A 15 -12.825 3.000 -8.557 1.00 64.45 O ATOM 0 H GLU A 15 -11.736 5.013 -6.277 1.00 14.14 H new ATOM 0 HA GLU A 15 -14.315 6.170 -5.708 1.00 65.33 H new ATOM 0 HB2 GLU A 15 -13.019 3.424 -5.405 1.00 35.32 H new ATOM 0 HB3 GLU A 15 -14.638 3.756 -4.822 1.00 35.32 H new ATOM 0 HG2 GLU A 15 -14.747 2.622 -6.956 1.00 50.23 H new ATOM 0 HG3 GLU A 15 -15.397 4.243 -7.108 1.00 50.23 H new ATOM 252 N SER A 16 -14.385 6.075 -3.144 1.00 34.32 N ATOM 253 CA SER A 16 -14.261 6.322 -1.727 1.00 20.52 C ATOM 254 C SER A 16 -15.139 5.388 -0.872 1.00 34.22 C ATOM 255 O SER A 16 -14.654 4.747 0.044 1.00 32.44 O ATOM 256 CB SER A 16 -14.487 7.802 -1.395 1.00 4.44 C ATOM 257 OG SER A 16 -15.762 8.254 -1.830 1.00 61.35 O ATOM 0 H SER A 16 -15.328 6.167 -3.521 1.00 34.32 H new ATOM 0 HA SER A 16 -13.233 6.081 -1.458 1.00 20.52 H new ATOM 0 HB2 SER A 16 -14.397 7.950 -0.319 1.00 4.44 H new ATOM 0 HB3 SER A 16 -13.709 8.403 -1.866 1.00 4.44 H new ATOM 0 HG SER A 16 -16.005 9.068 -1.341 1.00 61.35 H new ATOM 263 N HIS A 17 -16.410 5.280 -1.160 1.00 15.01 N ATOM 264 CA HIS A 17 -17.235 4.403 -0.338 1.00 2.01 C ATOM 265 C HIS A 17 -17.214 2.972 -0.774 1.00 64.01 C ATOM 266 O HIS A 17 -18.153 2.449 -1.368 1.00 62.24 O ATOM 267 CB HIS A 17 -18.625 4.934 -0.021 1.00 74.42 C ATOM 268 CG HIS A 17 -18.602 6.051 0.967 1.00 32.01 C ATOM 269 ND1 HIS A 17 -19.109 5.942 2.235 1.00 21.34 N ATOM 270 CD2 HIS A 17 -18.122 7.302 0.867 1.00 43.12 C ATOM 271 CE1 HIS A 17 -18.942 7.077 2.867 1.00 12.32 C ATOM 272 NE2 HIS A 17 -18.345 7.922 2.062 1.00 54.01 N ATOM 0 H HIS A 17 -16.890 5.761 -1.921 1.00 15.01 H new ATOM 0 HA HIS A 17 -16.735 4.412 0.631 1.00 2.01 H new ATOM 0 HB2 HIS A 17 -19.097 5.278 -0.941 1.00 74.42 H new ATOM 0 HB3 HIS A 17 -19.240 4.122 0.368 1.00 74.42 H new ATOM 0 HD2 HIS A 17 -17.647 7.737 0.000 1.00 43.12 H new ATOM 0 HE1 HIS A 17 -19.246 7.283 3.883 1.00 12.32 H new ATOM 0 HE2 HIS A 17 -18.090 8.883 2.291 1.00 54.01 H new ATOM 281 N VAL A 18 -16.103 2.366 -0.509 1.00 13.35 N ATOM 282 CA VAL A 18 -15.849 0.995 -0.814 1.00 22.53 C ATOM 283 C VAL A 18 -15.808 0.217 0.507 1.00 31.21 C ATOM 284 O VAL A 18 -15.607 0.814 1.574 1.00 64.44 O ATOM 285 CB VAL A 18 -14.494 0.872 -1.592 1.00 71.23 C ATOM 286 CG1 VAL A 18 -14.153 -0.568 -1.935 1.00 35.14 C ATOM 287 CG2 VAL A 18 -14.544 1.716 -2.865 1.00 51.55 C ATOM 0 H VAL A 18 -15.316 2.831 -0.056 1.00 13.35 H new ATOM 0 HA VAL A 18 -16.633 0.583 -1.450 1.00 22.53 H new ATOM 0 HB VAL A 18 -13.708 1.243 -0.935 1.00 71.23 H new ATOM 0 HG11 VAL A 18 -13.206 -0.599 -2.473 1.00 35.14 H new ATOM 0 HG12 VAL A 18 -14.068 -1.150 -1.017 1.00 35.14 H new ATOM 0 HG13 VAL A 18 -14.940 -0.989 -2.561 1.00 35.14 H new ATOM 0 HG21 VAL A 18 -13.598 1.625 -3.399 1.00 51.55 H new ATOM 0 HG22 VAL A 18 -15.356 1.366 -3.502 1.00 51.55 H new ATOM 0 HG23 VAL A 18 -14.713 2.760 -2.603 1.00 51.55 H new ATOM 297 N ALA A 19 -16.008 -1.078 0.445 1.00 62.23 N ATOM 298 CA ALA A 19 -16.025 -1.898 1.616 1.00 2.35 C ATOM 299 C ALA A 19 -14.665 -2.509 1.801 1.00 41.14 C ATOM 300 O ALA A 19 -14.185 -3.231 0.928 1.00 12.03 O ATOM 301 CB ALA A 19 -17.082 -2.983 1.478 1.00 12.33 C ATOM 0 H ALA A 19 -16.163 -1.587 -0.425 1.00 62.23 H new ATOM 0 HA ALA A 19 -16.271 -1.292 2.488 1.00 2.35 H new ATOM 0 HB1 ALA A 19 -17.087 -3.602 2.375 1.00 12.33 H new ATOM 0 HB2 ALA A 19 -18.062 -2.522 1.349 1.00 12.33 H new ATOM 0 HB3 ALA A 19 -16.856 -3.603 0.610 1.00 12.33 H new ATOM 307 N ARG A 20 -14.047 -2.238 2.929 1.00 5.43 N ATOM 308 CA ARG A 20 -12.689 -2.715 3.188 1.00 14.32 C ATOM 309 C ARG A 20 -12.642 -4.236 3.362 1.00 45.40 C ATOM 310 O ARG A 20 -11.591 -4.840 3.307 1.00 60.15 O ATOM 311 CB ARG A 20 -12.024 -1.936 4.352 1.00 42.40 C ATOM 312 CG ARG A 20 -12.603 -2.153 5.745 1.00 54.13 C ATOM 313 CD ARG A 20 -12.008 -3.383 6.423 1.00 62.12 C ATOM 314 NE ARG A 20 -12.630 -3.634 7.727 1.00 25.21 N ATOM 315 CZ ARG A 20 -12.327 -3.000 8.873 1.00 50.03 C ATOM 316 NH1 ARG A 20 -11.427 -2.017 8.887 1.00 65.30 N ATOM 317 NH2 ARG A 20 -12.926 -3.357 10.007 1.00 13.32 N ATOM 0 H ARG A 20 -14.455 -1.691 3.687 1.00 5.43 H new ATOM 0 HA ARG A 20 -12.086 -2.504 2.305 1.00 14.32 H new ATOM 0 HB2 ARG A 20 -10.967 -2.202 4.378 1.00 42.40 H new ATOM 0 HB3 ARG A 20 -12.079 -0.872 4.123 1.00 42.40 H new ATOM 0 HG2 ARG A 20 -12.412 -1.272 6.359 1.00 54.13 H new ATOM 0 HG3 ARG A 20 -13.685 -2.265 5.675 1.00 54.13 H new ATOM 0 HD2 ARG A 20 -12.143 -4.254 5.781 1.00 62.12 H new ATOM 0 HD3 ARG A 20 -10.934 -3.245 6.552 1.00 62.12 H new ATOM 0 HE ARG A 20 -13.354 -4.351 7.768 1.00 25.21 H new ATOM 0 HH11 ARG A 20 -10.961 -1.740 8.023 1.00 65.30 H new ATOM 0 HH12 ARG A 20 -11.204 -1.542 9.762 1.00 65.30 H new ATOM 0 HH21 ARG A 20 -13.614 -4.110 10.005 1.00 13.32 H new ATOM 0 HH22 ARG A 20 -12.697 -2.877 10.878 1.00 13.32 H new ATOM 331 N ALA A 21 -13.790 -4.837 3.591 1.00 51.45 N ATOM 332 CA ALA A 21 -13.878 -6.280 3.684 1.00 34.31 C ATOM 333 C ALA A 21 -13.943 -6.887 2.283 1.00 31.31 C ATOM 334 O ALA A 21 -13.497 -8.009 2.048 1.00 70.32 O ATOM 335 CB ALA A 21 -15.100 -6.686 4.491 1.00 31.14 C ATOM 0 H ALA A 21 -14.677 -4.349 3.716 1.00 51.45 H new ATOM 0 HA ALA A 21 -12.990 -6.655 4.192 1.00 34.31 H new ATOM 0 HB1 ALA A 21 -15.151 -7.773 4.551 1.00 31.14 H new ATOM 0 HB2 ALA A 21 -15.027 -6.270 5.496 1.00 31.14 H new ATOM 0 HB3 ALA A 21 -15.999 -6.307 4.005 1.00 31.14 H new ATOM 341 N ASN A 22 -14.457 -6.105 1.344 1.00 3.40 N ATOM 342 CA ASN A 22 -14.664 -6.562 -0.020 1.00 20.55 C ATOM 343 C ASN A 22 -13.407 -6.348 -0.863 1.00 51.00 C ATOM 344 O ASN A 22 -13.304 -6.834 -1.980 1.00 71.15 O ATOM 345 CB ASN A 22 -15.893 -5.860 -0.632 1.00 1.13 C ATOM 346 CG ASN A 22 -16.246 -6.307 -2.049 1.00 63.24 C ATOM 347 OD1 ASN A 22 -15.995 -7.448 -2.447 1.00 54.20 O ATOM 348 ND2 ASN A 22 -16.849 -5.425 -2.807 1.00 42.11 N ATOM 0 H ASN A 22 -14.741 -5.139 1.507 1.00 3.40 H new ATOM 0 HA ASN A 22 -14.862 -7.634 -0.008 1.00 20.55 H new ATOM 0 HB2 ASN A 22 -16.753 -6.035 0.014 1.00 1.13 H new ATOM 0 HB3 ASN A 22 -15.714 -4.785 -0.639 1.00 1.13 H new ATOM 0 HD21 ASN A 22 -17.126 -5.673 -3.757 1.00 42.11 H new ATOM 0 HD22 ASN A 22 -17.042 -4.490 -2.447 1.00 42.11 H new ATOM 355 N VAL A 23 -12.424 -5.675 -0.309 1.00 43.15 N ATOM 356 CA VAL A 23 -11.191 -5.484 -1.040 1.00 10.34 C ATOM 357 C VAL A 23 -10.250 -6.607 -0.673 1.00 61.52 C ATOM 358 O VAL A 23 -10.265 -7.096 0.465 1.00 34.35 O ATOM 359 CB VAL A 23 -10.501 -4.096 -0.772 1.00 75.10 C ATOM 360 CG1 VAL A 23 -11.376 -2.944 -1.213 1.00 22.41 C ATOM 361 CG2 VAL A 23 -10.124 -3.920 0.681 1.00 71.02 C ATOM 0 H VAL A 23 -12.450 -5.260 0.622 1.00 43.15 H new ATOM 0 HA VAL A 23 -11.433 -5.492 -2.103 1.00 10.34 H new ATOM 0 HB VAL A 23 -9.587 -4.091 -1.366 1.00 75.10 H new ATOM 0 HG11 VAL A 23 -10.866 -2.002 -1.012 1.00 22.41 H new ATOM 0 HG12 VAL A 23 -11.576 -3.027 -2.281 1.00 22.41 H new ATOM 0 HG13 VAL A 23 -12.317 -2.971 -0.664 1.00 22.41 H new ATOM 0 HG21 VAL A 23 -9.651 -2.948 0.819 1.00 71.02 H new ATOM 0 HG22 VAL A 23 -11.020 -3.978 1.299 1.00 71.02 H new ATOM 0 HG23 VAL A 23 -9.429 -4.707 0.974 1.00 71.02 H new ATOM 371 N LYS A 24 -9.503 -7.079 -1.637 1.00 75.55 N ATOM 372 CA LYS A 24 -8.591 -8.169 -1.394 1.00 64.24 C ATOM 373 C LYS A 24 -7.278 -7.665 -0.854 1.00 21.11 C ATOM 374 O LYS A 24 -6.606 -8.356 -0.088 1.00 43.34 O ATOM 375 CB LYS A 24 -8.372 -8.991 -2.657 1.00 12.41 C ATOM 376 CG LYS A 24 -9.646 -9.597 -3.162 1.00 43.31 C ATOM 377 CD LYS A 24 -9.448 -10.516 -4.362 1.00 60.13 C ATOM 378 CE LYS A 24 -8.972 -9.775 -5.596 1.00 61.52 C ATOM 379 NZ LYS A 24 -8.879 -10.674 -6.764 1.00 50.33 N ATOM 0 H LYS A 24 -9.507 -6.728 -2.595 1.00 75.55 H new ATOM 0 HA LYS A 24 -9.041 -8.817 -0.642 1.00 64.24 H new ATOM 0 HB2 LYS A 24 -7.940 -8.357 -3.432 1.00 12.41 H new ATOM 0 HB3 LYS A 24 -7.650 -9.782 -2.454 1.00 12.41 H new ATOM 0 HG2 LYS A 24 -10.115 -10.161 -2.356 1.00 43.31 H new ATOM 0 HG3 LYS A 24 -10.335 -8.798 -3.436 1.00 43.31 H new ATOM 0 HD2 LYS A 24 -8.724 -11.289 -4.106 1.00 60.13 H new ATOM 0 HD3 LYS A 24 -10.388 -11.021 -4.587 1.00 60.13 H new ATOM 0 HE2 LYS A 24 -9.658 -8.958 -5.818 1.00 61.52 H new ATOM 0 HE3 LYS A 24 -7.997 -9.329 -5.400 1.00 61.52 H new ATOM 0 HZ1 LYS A 24 -8.551 -10.136 -7.591 1.00 50.33 H new ATOM 0 HZ2 LYS A 24 -8.206 -11.440 -6.560 1.00 50.33 H new ATOM 0 HZ3 LYS A 24 -9.815 -11.080 -6.965 1.00 50.33 H new ATOM 393 N HIS A 25 -6.921 -6.450 -1.254 1.00 13.12 N ATOM 394 CA HIS A 25 -5.676 -5.827 -0.797 1.00 32.14 C ATOM 395 C HIS A 25 -5.605 -4.375 -1.210 1.00 75.32 C ATOM 396 O HIS A 25 -6.453 -3.903 -1.970 1.00 53.54 O ATOM 397 CB HIS A 25 -4.432 -6.555 -1.350 1.00 32.35 C ATOM 398 CG HIS A 25 -4.156 -6.408 -2.833 1.00 63.10 C ATOM 399 ND1 HIS A 25 -4.202 -7.454 -3.721 1.00 61.01 N ATOM 400 CD2 HIS A 25 -3.734 -5.335 -3.554 1.00 25.44 C ATOM 401 CE1 HIS A 25 -3.808 -7.024 -4.908 1.00 52.44 C ATOM 402 NE2 HIS A 25 -3.530 -5.752 -4.829 1.00 24.14 N ATOM 0 H HIS A 25 -7.471 -5.875 -1.892 1.00 13.12 H new ATOM 0 HA HIS A 25 -5.680 -5.901 0.290 1.00 32.14 H new ATOM 0 HB2 HIS A 25 -3.559 -6.197 -0.805 1.00 32.35 H new ATOM 0 HB3 HIS A 25 -4.533 -7.617 -1.127 1.00 32.35 H new ATOM 0 HD2 HIS A 25 -3.588 -4.333 -3.180 1.00 25.44 H new ATOM 0 HE1 HIS A 25 -3.729 -7.629 -5.799 1.00 52.44 H new ATOM 0 HE2 HIS A 25 -3.211 -5.166 -5.600 1.00 24.14 H new ATOM 411 N LEU A 26 -4.538 -3.704 -0.772 1.00 63.55 N ATOM 412 CA LEU A 26 -4.275 -2.321 -1.151 1.00 31.43 C ATOM 413 C LEU A 26 -2.951 -2.258 -1.883 1.00 60.02 C ATOM 414 O LEU A 26 -2.056 -3.027 -1.592 1.00 3.03 O ATOM 415 CB LEU A 26 -4.209 -1.389 0.085 1.00 31.34 C ATOM 416 CG LEU A 26 -5.489 -1.226 0.902 1.00 73.33 C ATOM 417 CD1 LEU A 26 -5.253 -0.287 2.087 1.00 34.42 C ATOM 418 CD2 LEU A 26 -6.610 -0.709 0.023 1.00 12.25 C ATOM 0 H LEU A 26 -3.837 -4.104 -0.148 1.00 63.55 H new ATOM 0 HA LEU A 26 -5.092 -1.982 -1.788 1.00 31.43 H new ATOM 0 HB2 LEU A 26 -3.429 -1.762 0.749 1.00 31.34 H new ATOM 0 HB3 LEU A 26 -3.895 -0.401 -0.252 1.00 31.34 H new ATOM 0 HG LEU A 26 -5.779 -2.201 1.294 1.00 73.33 H new ATOM 0 HD11 LEU A 26 -6.176 -0.183 2.658 1.00 34.42 H new ATOM 0 HD12 LEU A 26 -4.474 -0.699 2.728 1.00 34.42 H new ATOM 0 HD13 LEU A 26 -4.941 0.691 1.720 1.00 34.42 H new ATOM 0 HD21 LEU A 26 -7.517 -0.597 0.618 1.00 12.25 H new ATOM 0 HD22 LEU A 26 -6.329 0.258 -0.395 1.00 12.25 H new ATOM 0 HD23 LEU A 26 -6.792 -1.415 -0.787 1.00 12.25 H new ATOM 430 N LYS A 27 -2.845 -1.414 -2.856 1.00 42.21 N ATOM 431 CA LYS A 27 -1.584 -1.200 -3.526 1.00 13.20 C ATOM 432 C LYS A 27 -1.352 0.275 -3.716 1.00 14.23 C ATOM 433 O LYS A 27 -2.247 0.985 -4.155 1.00 4.43 O ATOM 434 CB LYS A 27 -1.479 -2.003 -4.841 1.00 11.20 C ATOM 435 CG LYS A 27 -0.198 -1.731 -5.618 1.00 13.02 C ATOM 436 CD LYS A 27 0.049 -2.729 -6.746 1.00 30.20 C ATOM 437 CE LYS A 27 -1.102 -2.842 -7.711 1.00 4.21 C ATOM 438 NZ LYS A 27 -0.776 -3.749 -8.823 1.00 21.30 N ATOM 0 H LYS A 27 -3.617 -0.852 -3.214 1.00 42.21 H new ATOM 0 HA LYS A 27 -0.783 -1.584 -2.894 1.00 13.20 H new ATOM 0 HB2 LYS A 27 -1.537 -3.067 -4.613 1.00 11.20 H new ATOM 0 HB3 LYS A 27 -2.335 -1.765 -5.472 1.00 11.20 H new ATOM 0 HG2 LYS A 27 -0.242 -0.725 -6.036 1.00 13.02 H new ATOM 0 HG3 LYS A 27 0.647 -1.754 -4.930 1.00 13.02 H new ATOM 0 HD2 LYS A 27 0.944 -2.433 -7.293 1.00 30.20 H new ATOM 0 HD3 LYS A 27 0.249 -3.710 -6.315 1.00 30.20 H new ATOM 0 HE2 LYS A 27 -1.985 -3.207 -7.187 1.00 4.21 H new ATOM 0 HE3 LYS A 27 -1.350 -1.856 -8.103 1.00 4.21 H new ATOM 0 HZ1 LYS A 27 -1.587 -3.808 -9.472 1.00 21.30 H new ATOM 0 HZ2 LYS A 27 0.053 -3.386 -9.336 1.00 21.30 H new ATOM 0 HZ3 LYS A 27 -0.563 -4.695 -8.448 1.00 21.30 H new ATOM 452 N ILE A 28 -0.162 0.737 -3.373 1.00 13.52 N ATOM 453 CA ILE A 28 0.130 2.145 -3.382 1.00 41.12 C ATOM 454 C ILE A 28 1.240 2.462 -4.385 1.00 2.01 C ATOM 455 O ILE A 28 2.301 1.815 -4.393 1.00 45.04 O ATOM 456 CB ILE A 28 0.576 2.631 -1.976 1.00 71.13 C ATOM 457 CG1 ILE A 28 -0.425 2.181 -0.901 1.00 70.40 C ATOM 458 CG2 ILE A 28 0.694 4.151 -1.969 1.00 40.31 C ATOM 459 CD1 ILE A 28 -0.041 2.587 0.513 1.00 45.23 C ATOM 0 H ILE A 28 0.618 0.146 -3.084 1.00 13.52 H new ATOM 0 HA ILE A 28 -0.784 2.663 -3.671 1.00 41.12 H new ATOM 0 HB ILE A 28 1.547 2.190 -1.749 1.00 71.13 H new ATOM 0 HG12 ILE A 28 -1.404 2.599 -1.134 1.00 70.40 H new ATOM 0 HG13 ILE A 28 -0.523 1.096 -0.942 1.00 70.40 H new ATOM 0 HG21 ILE A 28 1.007 4.487 -0.981 1.00 40.31 H new ATOM 0 HG22 ILE A 28 1.432 4.462 -2.709 1.00 40.31 H new ATOM 0 HG23 ILE A 28 -0.272 4.592 -2.213 1.00 40.31 H new ATOM 0 HD11 ILE A 28 -0.798 2.232 1.212 1.00 45.23 H new ATOM 0 HD12 ILE A 28 0.923 2.147 0.769 1.00 45.23 H new ATOM 0 HD13 ILE A 28 0.028 3.673 0.574 1.00 45.23 H new ATOM 471 N LEU A 29 0.983 3.426 -5.237 1.00 44.14 N ATOM 472 CA LEU A 29 1.967 3.904 -6.190 1.00 5.22 C ATOM 473 C LEU A 29 2.142 5.409 -6.016 1.00 22.51 C ATOM 474 O LEU A 29 1.196 6.108 -5.618 1.00 24.23 O ATOM 475 CB LEU A 29 1.622 3.544 -7.674 1.00 1.33 C ATOM 476 CG LEU A 29 1.626 2.039 -8.073 1.00 2.44 C ATOM 477 CD1 LEU A 29 0.460 1.262 -7.493 1.00 43.14 C ATOM 478 CD2 LEU A 29 1.708 1.849 -9.576 1.00 13.35 C ATOM 0 H LEU A 29 0.084 3.905 -5.292 1.00 44.14 H new ATOM 0 HA LEU A 29 2.906 3.392 -5.978 1.00 5.22 H new ATOM 0 HB2 LEU A 29 0.634 3.947 -7.896 1.00 1.33 H new ATOM 0 HB3 LEU A 29 2.331 4.064 -8.319 1.00 1.33 H new ATOM 0 HG LEU A 29 2.531 1.624 -7.629 1.00 2.44 H new ATOM 0 HD11 LEU A 29 0.523 0.221 -7.810 1.00 43.14 H new ATOM 0 HD12 LEU A 29 0.494 1.313 -6.405 1.00 43.14 H new ATOM 0 HD13 LEU A 29 -0.476 1.693 -7.847 1.00 43.14 H new ATOM 0 HD21 LEU A 29 1.708 0.784 -9.809 1.00 13.35 H new ATOM 0 HD22 LEU A 29 0.849 2.324 -10.050 1.00 13.35 H new ATOM 0 HD23 LEU A 29 2.626 2.302 -9.950 1.00 13.35 H new ATOM 490 N ASN A 30 3.333 5.907 -6.290 1.00 60.31 N ATOM 491 CA ASN A 30 3.624 7.326 -6.105 1.00 42.54 C ATOM 492 C ASN A 30 3.254 8.108 -7.344 1.00 13.01 C ATOM 493 O ASN A 30 3.955 8.048 -8.361 1.00 21.02 O ATOM 494 CB ASN A 30 5.112 7.538 -5.793 1.00 54.52 C ATOM 495 CG ASN A 30 5.481 8.999 -5.535 1.00 32.43 C ATOM 496 OD1 ASN A 30 5.461 9.474 -4.401 1.00 71.44 O ATOM 497 ND2 ASN A 30 5.803 9.720 -6.581 1.00 2.43 N ATOM 0 H ASN A 30 4.116 5.356 -6.641 1.00 60.31 H new ATOM 0 HA ASN A 30 3.030 7.684 -5.264 1.00 42.54 H new ATOM 0 HB2 ASN A 30 5.379 6.945 -4.919 1.00 54.52 H new ATOM 0 HB3 ASN A 30 5.706 7.164 -6.626 1.00 54.52 H new ATOM 0 HD21 ASN A 30 6.046 10.704 -6.467 1.00 2.43 H new ATOM 0 HD22 ASN A 30 5.810 9.297 -7.509 1.00 2.43 H new ATOM 504 N THR A 31 2.170 8.816 -7.274 1.00 40.55 N ATOM 505 CA THR A 31 1.728 9.605 -8.373 1.00 23.44 C ATOM 506 C THR A 31 2.094 11.085 -8.172 1.00 22.42 C ATOM 507 O THR A 31 1.852 11.660 -7.113 1.00 34.44 O ATOM 508 CB THR A 31 0.225 9.400 -8.609 1.00 33.41 C ATOM 509 OG1 THR A 31 -0.501 9.590 -7.380 1.00 31.13 O ATOM 510 CG2 THR A 31 -0.025 7.994 -9.127 1.00 15.02 C ATOM 0 H THR A 31 1.569 8.861 -6.451 1.00 40.55 H new ATOM 0 HA THR A 31 2.246 9.275 -9.274 1.00 23.44 H new ATOM 0 HB THR A 31 -0.117 10.128 -9.344 1.00 33.41 H new ATOM 0 HG1 THR A 31 -1.307 9.033 -7.387 1.00 31.13 H new ATOM 0 HG21 THR A 31 -1.093 7.852 -9.293 1.00 15.02 H new ATOM 0 HG22 THR A 31 0.511 7.851 -10.066 1.00 15.02 H new ATOM 0 HG23 THR A 31 0.328 7.268 -8.394 1.00 15.02 H new ATOM 518 N PRO A 32 2.719 11.711 -9.187 1.00 33.00 N ATOM 519 CA PRO A 32 3.188 13.104 -9.093 1.00 42.24 C ATOM 520 C PRO A 32 2.078 14.151 -9.279 1.00 24.44 C ATOM 521 O PRO A 32 2.174 15.270 -8.766 1.00 5.33 O ATOM 522 CB PRO A 32 4.199 13.200 -10.236 1.00 0.24 C ATOM 523 CG PRO A 32 3.719 12.219 -11.256 1.00 13.30 C ATOM 524 CD PRO A 32 3.055 11.099 -10.497 1.00 23.22 C ATOM 0 HA PRO A 32 3.591 13.318 -8.103 1.00 42.24 H new ATOM 0 HB2 PRO A 32 4.238 14.209 -10.646 1.00 0.24 H new ATOM 0 HB3 PRO A 32 5.205 12.956 -9.895 1.00 0.24 H new ATOM 0 HG2 PRO A 32 3.018 12.689 -11.946 1.00 13.30 H new ATOM 0 HG3 PRO A 32 4.550 11.843 -11.853 1.00 13.30 H new ATOM 0 HD2 PRO A 32 2.164 10.740 -11.012 1.00 23.22 H new ATOM 0 HD3 PRO A 32 3.721 10.244 -10.380 1.00 23.22 H new ATOM 532 N ASN A 33 1.043 13.788 -10.002 1.00 11.20 N ATOM 533 CA ASN A 33 -0.045 14.723 -10.309 1.00 12.51 C ATOM 534 C ASN A 33 -1.221 14.498 -9.364 1.00 31.15 C ATOM 535 O ASN A 33 -2.164 15.290 -9.307 1.00 42.42 O ATOM 536 CB ASN A 33 -0.493 14.530 -11.781 1.00 64.33 C ATOM 537 CG ASN A 33 -1.580 15.509 -12.251 1.00 14.30 C ATOM 538 OD1 ASN A 33 -1.565 16.716 -11.748 1.00 51.12 O flip ATOM 539 ND2 ASN A 33 -2.412 15.170 -13.095 1.00 43.22 N flip ATOM 0 H ASN A 33 0.921 12.854 -10.394 1.00 11.20 H new ATOM 0 HA ASN A 33 0.312 15.744 -10.174 1.00 12.51 H new ATOM 0 HB2 ASN A 33 0.377 14.635 -12.429 1.00 64.33 H new ATOM 0 HB3 ASN A 33 -0.861 13.512 -11.905 1.00 64.33 H new ATOM 0 HD21 ASN A 33 -2.400 14.222 -13.470 1.00 43.22 H new ATOM 0 HD22 ASN A 33 -3.112 15.838 -13.418 1.00 43.22 H new ATOM 546 N CYS A 34 -1.144 13.456 -8.596 1.00 41.52 N ATOM 547 CA CYS A 34 -2.250 13.074 -7.765 1.00 70.34 C ATOM 548 C CYS A 34 -1.814 12.952 -6.329 1.00 23.24 C ATOM 549 O CYS A 34 -0.610 12.878 -6.048 1.00 63.01 O ATOM 550 CB CYS A 34 -2.852 11.772 -8.279 1.00 52.55 C ATOM 551 SG CYS A 34 -3.320 11.855 -10.034 1.00 3.04 S ATOM 0 H CYS A 34 -0.326 12.851 -8.525 1.00 41.52 H new ATOM 0 HA CYS A 34 -3.018 13.847 -7.808 1.00 70.34 H new ATOM 0 HB2 CYS A 34 -2.134 10.964 -8.137 1.00 52.55 H new ATOM 0 HB3 CYS A 34 -3.732 11.524 -7.685 1.00 52.55 H new ATOM 556 N ALA A 35 -2.788 12.986 -5.432 1.00 70.15 N ATOM 557 CA ALA A 35 -2.577 12.903 -3.990 1.00 34.32 C ATOM 558 C ALA A 35 -1.661 11.732 -3.622 1.00 24.24 C ATOM 559 O ALA A 35 -0.530 11.915 -3.171 1.00 14.42 O ATOM 560 CB ALA A 35 -3.926 12.738 -3.311 1.00 64.43 C ATOM 0 H ALA A 35 -3.771 13.074 -5.690 1.00 70.15 H new ATOM 0 HA ALA A 35 -2.090 13.818 -3.653 1.00 34.32 H new ATOM 0 HB1 ALA A 35 -3.785 12.674 -2.232 1.00 64.43 H new ATOM 0 HB2 ALA A 35 -4.558 13.595 -3.544 1.00 64.43 H new ATOM 0 HB3 ALA A 35 -4.404 11.826 -3.669 1.00 64.43 H new ATOM 566 N CYS A 36 -2.149 10.560 -3.831 1.00 23.33 N ATOM 567 CA CYS A 36 -1.437 9.347 -3.569 1.00 43.54 C ATOM 568 C CYS A 36 -2.261 8.300 -4.266 1.00 72.23 C ATOM 569 O CYS A 36 -3.455 8.533 -4.485 1.00 72.04 O ATOM 570 CB CYS A 36 -1.354 9.099 -2.040 1.00 53.10 C ATOM 571 SG CYS A 36 -0.232 7.750 -1.522 1.00 44.11 S ATOM 0 H CYS A 36 -3.087 10.408 -4.202 1.00 23.33 H new ATOM 0 HA CYS A 36 -0.406 9.356 -3.921 1.00 43.54 H new ATOM 0 HB2 CYS A 36 -1.032 10.022 -1.557 1.00 53.10 H new ATOM 0 HB3 CYS A 36 -2.355 8.878 -1.670 1.00 53.10 H new ATOM 576 N GLN A 37 -1.701 7.199 -4.651 1.00 15.15 N ATOM 577 CA GLN A 37 -2.488 6.286 -5.422 1.00 11.10 C ATOM 578 C GLN A 37 -2.737 5.007 -4.673 1.00 55.15 C ATOM 579 O GLN A 37 -1.807 4.256 -4.412 1.00 3.42 O ATOM 580 CB GLN A 37 -1.829 5.946 -6.745 1.00 14.45 C ATOM 581 CG GLN A 37 -2.835 5.484 -7.767 1.00 53.11 C ATOM 582 CD GLN A 37 -3.585 6.663 -8.356 1.00 1.30 C ATOM 583 OE1 GLN A 37 -3.188 7.182 -9.386 1.00 5.53 O ATOM 584 NE2 GLN A 37 -4.602 7.155 -7.677 1.00 72.02 N ATOM 0 H GLN A 37 -0.741 6.915 -4.456 1.00 15.15 H new ATOM 0 HA GLN A 37 -3.435 6.791 -5.613 1.00 11.10 H new ATOM 0 HB2 GLN A 37 -1.301 6.821 -7.124 1.00 14.45 H new ATOM 0 HB3 GLN A 37 -1.083 5.166 -6.590 1.00 14.45 H new ATOM 0 HG2 GLN A 37 -2.328 4.936 -8.561 1.00 53.11 H new ATOM 0 HG3 GLN A 37 -3.540 4.794 -7.304 1.00 53.11 H new ATOM 0 HE21 GLN A 37 -4.911 6.698 -6.819 1.00 72.02 H new ATOM 0 HE22 GLN A 37 -5.080 7.992 -8.010 1.00 72.02 H new ATOM 593 N ILE A 38 -3.976 4.765 -4.326 1.00 22.45 N ATOM 594 CA ILE A 38 -4.353 3.533 -3.689 1.00 24.24 C ATOM 595 C ILE A 38 -5.193 2.740 -4.695 1.00 1.51 C ATOM 596 O ILE A 38 -6.177 3.251 -5.209 1.00 70.25 O ATOM 597 CB ILE A 38 -5.223 3.788 -2.423 1.00 72.24 C ATOM 598 CG1 ILE A 38 -4.570 4.812 -1.472 1.00 51.42 C ATOM 599 CG2 ILE A 38 -5.479 2.477 -1.684 1.00 54.52 C ATOM 600 CD1 ILE A 38 -3.231 4.400 -0.908 1.00 20.24 C ATOM 0 H ILE A 38 -4.747 5.415 -4.477 1.00 22.45 H new ATOM 0 HA ILE A 38 -3.454 2.997 -3.384 1.00 24.24 H new ATOM 0 HB ILE A 38 -6.172 4.206 -2.758 1.00 72.24 H new ATOM 0 HG12 ILE A 38 -4.447 5.754 -2.006 1.00 51.42 H new ATOM 0 HG13 ILE A 38 -5.253 5.002 -0.644 1.00 51.42 H new ATOM 0 HG21 ILE A 38 -6.088 2.670 -0.801 1.00 54.52 H new ATOM 0 HG22 ILE A 38 -6.003 1.785 -2.343 1.00 54.52 H new ATOM 0 HG23 ILE A 38 -4.528 2.039 -1.380 1.00 54.52 H new ATOM 0 HD11 ILE A 38 -2.855 5.185 -0.252 1.00 20.24 H new ATOM 0 HD12 ILE A 38 -3.344 3.477 -0.340 1.00 20.24 H new ATOM 0 HD13 ILE A 38 -2.526 4.240 -1.724 1.00 20.24 H new ATOM 612 N VAL A 39 -4.783 1.543 -5.012 1.00 54.24 N ATOM 613 CA VAL A 39 -5.538 0.688 -5.929 1.00 32.00 C ATOM 614 C VAL A 39 -5.951 -0.584 -5.197 1.00 34.15 C ATOM 615 O VAL A 39 -5.126 -1.187 -4.492 1.00 2.45 O ATOM 616 CB VAL A 39 -4.700 0.298 -7.187 1.00 43.15 C ATOM 617 CG1 VAL A 39 -5.535 -0.525 -8.174 1.00 11.45 C ATOM 618 CG2 VAL A 39 -4.125 1.532 -7.873 1.00 61.01 C ATOM 0 H VAL A 39 -3.926 1.122 -4.654 1.00 54.24 H new ATOM 0 HA VAL A 39 -6.412 1.247 -6.265 1.00 32.00 H new ATOM 0 HB VAL A 39 -3.868 -0.319 -6.847 1.00 43.15 H new ATOM 0 HG11 VAL A 39 -4.925 -0.782 -9.040 1.00 11.45 H new ATOM 0 HG12 VAL A 39 -5.878 -1.438 -7.687 1.00 11.45 H new ATOM 0 HG13 VAL A 39 -6.397 0.059 -8.497 1.00 11.45 H new ATOM 0 HG21 VAL A 39 -3.547 1.227 -8.745 1.00 61.01 H new ATOM 0 HG22 VAL A 39 -4.939 2.186 -8.187 1.00 61.01 H new ATOM 0 HG23 VAL A 39 -3.478 2.067 -7.178 1.00 61.01 H new ATOM 628 N ALA A 40 -7.197 -0.998 -5.353 1.00 32.23 N ATOM 629 CA ALA A 40 -7.677 -2.173 -4.668 1.00 41.15 C ATOM 630 C ALA A 40 -8.540 -3.041 -5.571 1.00 72.31 C ATOM 631 O ALA A 40 -9.443 -2.559 -6.255 1.00 41.10 O ATOM 632 CB ALA A 40 -8.457 -1.774 -3.428 1.00 75.31 C ATOM 0 H ALA A 40 -7.887 -0.537 -5.946 1.00 32.23 H new ATOM 0 HA ALA A 40 -6.808 -2.762 -4.375 1.00 41.15 H new ATOM 0 HB1 ALA A 40 -8.814 -2.669 -2.919 1.00 75.31 H new ATOM 0 HB2 ALA A 40 -7.810 -1.209 -2.757 1.00 75.31 H new ATOM 0 HB3 ALA A 40 -9.308 -1.157 -3.716 1.00 75.31 H new ATOM 638 N ARG A 41 -8.264 -4.319 -5.586 1.00 12.25 N ATOM 639 CA ARG A 41 -9.090 -5.226 -6.335 1.00 65.14 C ATOM 640 C ARG A 41 -10.088 -5.872 -5.416 1.00 73.12 C ATOM 641 O ARG A 41 -9.707 -6.521 -4.434 1.00 51.54 O ATOM 642 CB ARG A 41 -8.291 -6.297 -7.111 1.00 22.40 C ATOM 643 CG ARG A 41 -7.450 -5.754 -8.253 1.00 0.51 C ATOM 644 CD ARG A 41 -6.996 -6.876 -9.173 1.00 71.24 C ATOM 645 NE ARG A 41 -6.413 -6.371 -10.424 1.00 63.50 N ATOM 646 CZ ARG A 41 -5.965 -7.133 -11.429 1.00 21.24 C ATOM 647 NH1 ARG A 41 -5.928 -8.453 -11.313 1.00 12.02 N ATOM 648 NH2 ARG A 41 -5.555 -6.559 -12.550 1.00 23.23 N ATOM 0 H ARG A 41 -7.482 -4.751 -5.093 1.00 12.25 H new ATOM 0 HA ARG A 41 -9.604 -4.635 -7.093 1.00 65.14 H new ATOM 0 HB2 ARG A 41 -7.638 -6.821 -6.413 1.00 22.40 H new ATOM 0 HB3 ARG A 41 -8.988 -7.034 -7.509 1.00 22.40 H new ATOM 0 HG2 ARG A 41 -8.028 -5.024 -8.820 1.00 0.51 H new ATOM 0 HG3 ARG A 41 -6.581 -5.232 -7.854 1.00 0.51 H new ATOM 0 HD2 ARG A 41 -6.261 -7.492 -8.655 1.00 71.24 H new ATOM 0 HD3 ARG A 41 -7.845 -7.519 -9.404 1.00 71.24 H new ATOM 0 HE ARG A 41 -6.344 -5.359 -10.535 1.00 63.50 H new ATOM 0 HH11 ARG A 41 -6.243 -8.898 -10.451 1.00 12.02 H new ATOM 0 HH12 ARG A 41 -5.585 -9.023 -12.086 1.00 12.02 H new ATOM 0 HH21 ARG A 41 -5.582 -5.544 -12.643 1.00 23.23 H new ATOM 0 HH22 ARG A 41 -5.212 -7.132 -13.321 1.00 23.23 H new ATOM 662 N LEU A 42 -11.354 -5.653 -5.702 1.00 2.41 N ATOM 663 CA LEU A 42 -12.438 -6.236 -4.934 1.00 33.11 C ATOM 664 C LEU A 42 -12.522 -7.726 -5.195 1.00 73.11 C ATOM 665 O LEU A 42 -12.073 -8.211 -6.245 1.00 41.04 O ATOM 666 CB LEU A 42 -13.787 -5.563 -5.277 1.00 55.43 C ATOM 667 CG LEU A 42 -13.902 -4.063 -4.970 1.00 21.42 C ATOM 668 CD1 LEU A 42 -15.235 -3.515 -5.446 1.00 4.43 C ATOM 669 CD2 LEU A 42 -13.763 -3.825 -3.495 1.00 62.31 C ATOM 0 H LEU A 42 -11.663 -5.064 -6.475 1.00 2.41 H new ATOM 0 HA LEU A 42 -12.231 -6.069 -3.877 1.00 33.11 H new ATOM 0 HB2 LEU A 42 -13.981 -5.710 -6.340 1.00 55.43 H new ATOM 0 HB3 LEU A 42 -14.576 -6.084 -4.734 1.00 55.43 H new ATOM 0 HG LEU A 42 -13.101 -3.547 -5.499 1.00 21.42 H new ATOM 0 HD11 LEU A 42 -15.293 -2.451 -5.218 1.00 4.43 H new ATOM 0 HD12 LEU A 42 -15.325 -3.661 -6.523 1.00 4.43 H new ATOM 0 HD13 LEU A 42 -16.046 -4.040 -4.940 1.00 4.43 H new ATOM 0 HD21 LEU A 42 -13.846 -2.758 -3.289 1.00 62.31 H new ATOM 0 HD22 LEU A 42 -14.551 -4.359 -2.964 1.00 62.31 H new ATOM 0 HD23 LEU A 42 -12.791 -4.185 -3.158 1.00 62.31 H new ATOM 681 N LYS A 43 -13.069 -8.437 -4.241 1.00 15.45 N ATOM 682 CA LYS A 43 -13.266 -9.853 -4.319 1.00 44.21 C ATOM 683 C LYS A 43 -14.177 -10.231 -5.492 1.00 15.42 C ATOM 684 O LYS A 43 -15.007 -9.412 -5.946 1.00 65.44 O ATOM 685 CB LYS A 43 -13.820 -10.305 -2.993 1.00 74.35 C ATOM 686 CG LYS A 43 -12.801 -10.199 -1.865 1.00 53.35 C ATOM 687 CD LYS A 43 -13.469 -10.307 -0.534 1.00 54.53 C ATOM 688 CE LYS A 43 -12.507 -10.681 0.585 1.00 61.12 C ATOM 689 NZ LYS A 43 -11.420 -9.699 0.783 1.00 31.22 N ATOM 0 H LYS A 43 -13.397 -8.030 -3.365 1.00 15.45 H new ATOM 0 HA LYS A 43 -12.321 -10.360 -4.513 1.00 44.21 H new ATOM 0 HB2 LYS A 43 -14.695 -9.704 -2.745 1.00 74.35 H new ATOM 0 HB3 LYS A 43 -14.157 -11.338 -3.077 1.00 74.35 H new ATOM 0 HG2 LYS A 43 -12.055 -10.987 -1.967 1.00 53.35 H new ATOM 0 HG3 LYS A 43 -12.272 -9.249 -1.935 1.00 53.35 H new ATOM 0 HD2 LYS A 43 -13.945 -9.356 -0.294 1.00 54.53 H new ATOM 0 HD3 LYS A 43 -14.261 -11.054 -0.590 1.00 54.53 H new ATOM 0 HE2 LYS A 43 -13.067 -10.784 1.515 1.00 61.12 H new ATOM 0 HE3 LYS A 43 -12.070 -11.655 0.367 1.00 61.12 H new ATOM 0 HZ1 LYS A 43 -10.679 -10.117 1.381 1.00 31.22 H new ATOM 0 HZ2 LYS A 43 -11.015 -9.439 -0.139 1.00 31.22 H new ATOM 0 HZ3 LYS A 43 -11.800 -8.849 1.246 1.00 31.22 H new ATOM 745 N ARG A 47 -15.887 -5.488 -9.130 1.00 51.31 N ATOM 746 CA ARG A 47 -14.866 -5.089 -10.079 1.00 41.40 C ATOM 747 C ARG A 47 -13.650 -4.492 -9.370 1.00 2.53 C ATOM 748 O ARG A 47 -13.546 -4.560 -8.157 1.00 5.13 O ATOM 749 CB ARG A 47 -15.484 -4.163 -11.193 1.00 0.31 C ATOM 750 CG ARG A 47 -16.196 -2.846 -10.765 1.00 72.43 C ATOM 751 CD ARG A 47 -15.232 -1.730 -10.364 1.00 34.21 C ATOM 752 NE ARG A 47 -15.929 -0.464 -10.033 1.00 31.13 N ATOM 753 CZ ARG A 47 -15.309 0.724 -9.770 1.00 24.05 C ATOM 754 NH1 ARG A 47 -13.990 0.850 -9.895 1.00 41.52 N ATOM 755 NH2 ARG A 47 -16.016 1.780 -9.402 1.00 54.11 N ATOM 0 HA ARG A 47 -14.488 -5.972 -10.595 1.00 41.40 H new ATOM 0 HB2 ARG A 47 -14.683 -3.896 -11.882 1.00 0.31 H new ATOM 0 HB3 ARG A 47 -16.203 -4.759 -11.756 1.00 0.31 H new ATOM 0 HG2 ARG A 47 -16.820 -2.497 -11.587 1.00 72.43 H new ATOM 0 HG3 ARG A 47 -16.861 -3.058 -9.928 1.00 72.43 H new ATOM 0 HD2 ARG A 47 -14.646 -2.053 -9.504 1.00 34.21 H new ATOM 0 HD3 ARG A 47 -14.530 -1.551 -11.179 1.00 34.21 H new ATOM 0 HE ARG A 47 -16.948 -0.482 -9.999 1.00 31.13 H new ATOM 0 HH11 ARG A 47 -13.427 0.052 -10.191 1.00 41.52 H new ATOM 0 HH12 ARG A 47 -13.542 1.744 -9.695 1.00 41.52 H new ATOM 0 HH21 ARG A 47 -17.030 1.709 -9.313 1.00 54.11 H new ATOM 0 HH22 ARG A 47 -15.547 2.665 -9.207 1.00 54.11 H new ATOM 769 N GLN A 48 -12.757 -3.918 -10.114 1.00 32.44 N ATOM 770 CA GLN A 48 -11.547 -3.347 -9.564 1.00 13.55 C ATOM 771 C GLN A 48 -11.747 -1.871 -9.354 1.00 24.34 C ATOM 772 O GLN A 48 -12.249 -1.179 -10.237 1.00 24.33 O ATOM 773 CB GLN A 48 -10.410 -3.577 -10.543 1.00 22.23 C ATOM 774 CG GLN A 48 -9.125 -2.859 -10.207 1.00 22.11 C ATOM 775 CD GLN A 48 -8.073 -3.111 -11.242 1.00 54.32 C ATOM 776 OE1 GLN A 48 -8.032 -4.178 -11.859 1.00 61.33 O ATOM 777 NE2 GLN A 48 -7.243 -2.134 -11.480 1.00 75.43 N ATOM 0 H GLN A 48 -12.838 -3.827 -11.127 1.00 32.44 H new ATOM 0 HA GLN A 48 -11.309 -3.816 -8.609 1.00 13.55 H new ATOM 0 HB2 GLN A 48 -10.208 -4.647 -10.597 1.00 22.23 H new ATOM 0 HB3 GLN A 48 -10.735 -3.264 -11.535 1.00 22.23 H new ATOM 0 HG2 GLN A 48 -9.314 -1.788 -10.131 1.00 22.11 H new ATOM 0 HG3 GLN A 48 -8.766 -3.189 -9.232 1.00 22.11 H new ATOM 0 HE21 GLN A 48 -7.310 -1.267 -10.947 1.00 75.43 H new ATOM 0 HE22 GLN A 48 -6.527 -2.237 -12.199 1.00 75.43 H new ATOM 786 N VAL A 49 -11.357 -1.385 -8.197 1.00 22.04 N ATOM 787 CA VAL A 49 -11.607 -0.015 -7.846 1.00 74.15 C ATOM 788 C VAL A 49 -10.326 0.699 -7.492 1.00 3.02 C ATOM 789 O VAL A 49 -9.317 0.076 -7.121 1.00 10.21 O ATOM 790 CB VAL A 49 -12.629 0.137 -6.652 1.00 75.53 C ATOM 791 CG1 VAL A 49 -13.964 -0.501 -6.964 1.00 4.01 C ATOM 792 CG2 VAL A 49 -12.088 -0.426 -5.359 1.00 32.30 C ATOM 0 H VAL A 49 -10.864 -1.924 -7.485 1.00 22.04 H new ATOM 0 HA VAL A 49 -12.052 0.440 -8.730 1.00 74.15 H new ATOM 0 HB VAL A 49 -12.777 1.209 -6.524 1.00 75.53 H new ATOM 0 HG11 VAL A 49 -14.636 -0.373 -6.115 1.00 4.01 H new ATOM 0 HG12 VAL A 49 -14.397 -0.027 -7.845 1.00 4.01 H new ATOM 0 HG13 VAL A 49 -13.823 -1.564 -7.157 1.00 4.01 H new ATOM 0 HG21 VAL A 49 -12.828 -0.298 -4.569 1.00 32.30 H new ATOM 0 HG22 VAL A 49 -11.873 -1.487 -5.486 1.00 32.30 H new ATOM 0 HG23 VAL A 49 -11.172 0.100 -5.088 1.00 32.30 H new ATOM 802 N CYS A 50 -10.352 1.963 -7.622 1.00 1.50 N ATOM 803 CA CYS A 50 -9.268 2.772 -7.195 1.00 31.43 C ATOM 804 C CYS A 50 -9.704 3.403 -5.915 1.00 61.24 C ATOM 805 O CYS A 50 -10.863 3.665 -5.749 1.00 20.44 O ATOM 806 CB CYS A 50 -8.926 3.808 -8.249 1.00 32.11 C ATOM 807 SG CYS A 50 -8.283 3.084 -9.789 1.00 3.51 S ATOM 0 H CYS A 50 -11.131 2.480 -8.031 1.00 1.50 H new ATOM 0 HA CYS A 50 -8.361 2.187 -7.044 1.00 31.43 H new ATOM 0 HB2 CYS A 50 -9.817 4.393 -8.475 1.00 32.11 H new ATOM 0 HB3 CYS A 50 -8.186 4.498 -7.844 1.00 32.11 H new ATOM 812 N ILE A 51 -8.818 3.613 -5.003 1.00 72.32 N ATOM 813 CA ILE A 51 -9.222 4.073 -3.704 1.00 14.23 C ATOM 814 C ILE A 51 -8.674 5.458 -3.392 1.00 53.41 C ATOM 815 O ILE A 51 -7.515 5.783 -3.710 1.00 65.21 O ATOM 816 CB ILE A 51 -8.801 3.062 -2.592 1.00 53.04 C ATOM 817 CG1 ILE A 51 -9.384 1.672 -2.855 1.00 43.13 C ATOM 818 CG2 ILE A 51 -9.256 3.535 -1.232 1.00 42.21 C ATOM 819 CD1 ILE A 51 -10.897 1.622 -2.824 1.00 51.23 C ATOM 0 H ILE A 51 -7.814 3.477 -5.123 1.00 72.32 H new ATOM 0 HA ILE A 51 -10.310 4.142 -3.719 1.00 14.23 H new ATOM 0 HB ILE A 51 -7.713 3.002 -2.611 1.00 53.04 H new ATOM 0 HG12 ILE A 51 -9.039 1.323 -3.828 1.00 43.13 H new ATOM 0 HG13 ILE A 51 -8.993 0.978 -2.111 1.00 43.13 H new ATOM 0 HG21 ILE A 51 -8.950 2.813 -0.475 1.00 42.21 H new ATOM 0 HG22 ILE A 51 -8.805 4.503 -1.014 1.00 42.21 H new ATOM 0 HG23 ILE A 51 -10.342 3.631 -1.225 1.00 42.21 H new ATOM 0 HD11 ILE A 51 -11.231 0.603 -3.019 1.00 51.23 H new ATOM 0 HD12 ILE A 51 -11.251 1.939 -1.843 1.00 51.23 H new ATOM 0 HD13 ILE A 51 -11.299 2.288 -3.587 1.00 51.23 H new ATOM 831 N ASP A 52 -9.536 6.265 -2.820 1.00 4.52 N ATOM 832 CA ASP A 52 -9.219 7.594 -2.325 1.00 53.14 C ATOM 833 C ASP A 52 -8.265 7.436 -1.117 1.00 61.13 C ATOM 834 O ASP A 52 -8.575 6.708 -0.184 1.00 10.10 O ATOM 835 CB ASP A 52 -10.547 8.273 -1.873 1.00 40.22 C ATOM 836 CG ASP A 52 -10.403 9.720 -1.425 1.00 44.44 C ATOM 837 OD1 ASP A 52 -9.708 9.961 -0.459 1.00 55.40 O ATOM 838 OD2 ASP A 52 -11.034 10.622 -2.033 1.00 65.32 O ATOM 0 H ASP A 52 -10.513 6.010 -2.679 1.00 4.52 H new ATOM 0 HA ASP A 52 -8.742 8.204 -3.092 1.00 53.14 H new ATOM 0 HB2 ASP A 52 -11.259 8.232 -2.697 1.00 40.22 H new ATOM 0 HB3 ASP A 52 -10.974 7.694 -1.054 1.00 40.22 H new ATOM 843 N PRO A 53 -7.087 8.078 -1.126 1.00 25.25 N ATOM 844 CA PRO A 53 -6.123 7.950 -0.023 1.00 12.22 C ATOM 845 C PRO A 53 -6.486 8.797 1.206 1.00 63.33 C ATOM 846 O PRO A 53 -5.823 8.738 2.240 1.00 53.42 O ATOM 847 CB PRO A 53 -4.805 8.428 -0.629 1.00 30.13 C ATOM 848 CG PRO A 53 -5.168 9.269 -1.818 1.00 35.13 C ATOM 849 CD PRO A 53 -6.597 8.947 -2.206 1.00 70.51 C ATOM 0 HA PRO A 53 -6.092 6.926 0.350 1.00 12.22 H new ATOM 0 HB2 PRO A 53 -4.231 9.006 0.095 1.00 30.13 H new ATOM 0 HB3 PRO A 53 -4.184 7.583 -0.926 1.00 30.13 H new ATOM 0 HG2 PRO A 53 -5.068 10.328 -1.580 1.00 35.13 H new ATOM 0 HG3 PRO A 53 -4.493 9.064 -2.649 1.00 35.13 H new ATOM 0 HD2 PRO A 53 -7.198 9.852 -2.290 1.00 70.51 H new ATOM 0 HD3 PRO A 53 -6.642 8.443 -3.172 1.00 70.51 H new ATOM 857 N LYS A 54 -7.540 9.550 1.087 1.00 35.52 N ATOM 858 CA LYS A 54 -7.991 10.450 2.126 1.00 4.33 C ATOM 859 C LYS A 54 -9.222 9.831 2.807 1.00 72.24 C ATOM 860 O LYS A 54 -9.784 10.379 3.757 1.00 12.11 O ATOM 861 CB LYS A 54 -8.373 11.759 1.449 1.00 42.33 C ATOM 862 CG LYS A 54 -7.248 12.373 0.605 1.00 61.21 C ATOM 863 CD LYS A 54 -7.759 13.477 -0.316 1.00 3.22 C ATOM 864 CE LYS A 54 -8.704 12.912 -1.385 1.00 72.20 C ATOM 865 NZ LYS A 54 -9.250 13.962 -2.269 1.00 63.20 N ATOM 0 H LYS A 54 -8.126 9.561 0.252 1.00 35.52 H new ATOM 0 HA LYS A 54 -7.219 10.622 2.876 1.00 4.33 H new ATOM 0 HB2 LYS A 54 -9.240 11.588 0.811 1.00 42.33 H new ATOM 0 HB3 LYS A 54 -8.675 12.477 2.212 1.00 42.33 H new ATOM 0 HG2 LYS A 54 -6.480 12.778 1.264 1.00 61.21 H new ATOM 0 HG3 LYS A 54 -6.776 11.593 0.008 1.00 61.21 H new ATOM 0 HD2 LYS A 54 -8.280 14.233 0.272 1.00 3.22 H new ATOM 0 HD3 LYS A 54 -6.916 13.973 -0.797 1.00 3.22 H new ATOM 0 HE2 LYS A 54 -8.169 12.177 -1.987 1.00 72.20 H new ATOM 0 HE3 LYS A 54 -9.526 12.388 -0.898 1.00 72.20 H new ATOM 0 HZ1 LYS A 54 -9.387 13.575 -3.224 1.00 63.20 H new ATOM 0 HZ2 LYS A 54 -10.163 14.291 -1.895 1.00 63.20 H new ATOM 0 HZ3 LYS A 54 -8.585 14.761 -2.311 1.00 63.20 H new ATOM 879 N LEU A 55 -9.623 8.688 2.279 1.00 5.42 N ATOM 880 CA LEU A 55 -10.761 7.909 2.722 1.00 44.02 C ATOM 881 C LEU A 55 -10.550 7.493 4.187 1.00 30.23 C ATOM 882 O LEU A 55 -9.431 7.142 4.568 1.00 24.03 O ATOM 883 CB LEU A 55 -10.766 6.665 1.863 1.00 30.42 C ATOM 884 CG LEU A 55 -12.078 6.006 1.526 1.00 13.42 C ATOM 885 CD1 LEU A 55 -11.801 4.768 0.714 1.00 22.03 C ATOM 886 CD2 LEU A 55 -12.917 5.680 2.740 1.00 25.15 C ATOM 0 H LEU A 55 -9.138 8.259 1.491 1.00 5.42 H new ATOM 0 HA LEU A 55 -11.691 8.471 2.642 1.00 44.02 H new ATOM 0 HB2 LEU A 55 -10.274 6.914 0.923 1.00 30.42 H new ATOM 0 HB3 LEU A 55 -10.144 5.921 2.361 1.00 30.42 H new ATOM 0 HG LEU A 55 -12.670 6.716 0.948 1.00 13.42 H new ATOM 0 HD11 LEU A 55 -12.742 4.280 0.462 1.00 22.03 H new ATOM 0 HD12 LEU A 55 -11.279 5.043 -0.202 1.00 22.03 H new ATOM 0 HD13 LEU A 55 -11.181 4.084 1.294 1.00 22.03 H new ATOM 0 HD21 LEU A 55 -13.847 5.208 2.423 1.00 25.15 H new ATOM 0 HD22 LEU A 55 -12.367 4.999 3.390 1.00 25.15 H new ATOM 0 HD23 LEU A 55 -13.143 6.598 3.283 1.00 25.15 H new ATOM 898 N LYS A 56 -11.629 7.488 4.986 1.00 12.55 N ATOM 899 CA LYS A 56 -11.528 7.166 6.406 1.00 4.41 C ATOM 900 C LYS A 56 -10.869 5.823 6.690 1.00 31.11 C ATOM 901 O LYS A 56 -9.927 5.768 7.461 1.00 51.31 O ATOM 902 CB LYS A 56 -12.853 7.235 7.128 1.00 45.10 C ATOM 903 CG LYS A 56 -12.687 6.891 8.592 1.00 45.00 C ATOM 904 CD LYS A 56 -13.964 6.942 9.351 1.00 32.23 C ATOM 905 CE LYS A 56 -13.729 6.516 10.787 1.00 24.51 C ATOM 906 NZ LYS A 56 -12.694 7.353 11.447 1.00 63.31 N ATOM 0 H LYS A 56 -12.574 7.703 4.669 1.00 12.55 H new ATOM 0 HA LYS A 56 -10.876 7.947 6.797 1.00 4.41 H new ATOM 0 HB2 LYS A 56 -13.273 8.236 7.031 1.00 45.10 H new ATOM 0 HB3 LYS A 56 -13.560 6.546 6.666 1.00 45.10 H new ATOM 0 HG2 LYS A 56 -12.260 5.892 8.678 1.00 45.00 H new ATOM 0 HG3 LYS A 56 -11.975 7.582 9.043 1.00 45.00 H new ATOM 0 HD2 LYS A 56 -14.373 7.952 9.325 1.00 32.23 H new ATOM 0 HD3 LYS A 56 -14.701 6.288 8.885 1.00 32.23 H new ATOM 0 HE2 LYS A 56 -14.663 6.586 11.345 1.00 24.51 H new ATOM 0 HE3 LYS A 56 -13.421 5.471 10.811 1.00 24.51 H new ATOM 0 HZ1 LYS A 56 -12.668 7.136 12.464 1.00 63.31 H new ATOM 0 HZ2 LYS A 56 -11.764 7.152 11.026 1.00 63.31 H new ATOM 0 HZ3 LYS A 56 -12.924 8.358 11.314 1.00 63.31 H new ATOM 920 N TRP A 57 -11.346 4.738 6.082 1.00 14.32 N ATOM 921 CA TRP A 57 -10.743 3.444 6.378 1.00 35.31 C ATOM 922 C TRP A 57 -9.279 3.364 5.970 1.00 13.44 C ATOM 923 O TRP A 57 -8.520 2.613 6.553 1.00 55.34 O ATOM 924 CB TRP A 57 -11.589 2.207 5.986 1.00 31.51 C ATOM 925 CG TRP A 57 -11.978 2.071 4.548 1.00 2.25 C ATOM 926 CD1 TRP A 57 -13.123 2.524 3.971 1.00 43.25 C ATOM 927 CD2 TRP A 57 -11.250 1.394 3.516 1.00 23.10 C ATOM 928 NE1 TRP A 57 -13.144 2.190 2.645 1.00 62.32 N ATOM 929 CE2 TRP A 57 -12.008 1.496 2.339 1.00 33.42 C ATOM 930 CE3 TRP A 57 -10.026 0.721 3.471 1.00 12.13 C ATOM 931 CZ2 TRP A 57 -11.590 0.946 1.132 1.00 0.23 C ATOM 932 CZ3 TRP A 57 -9.614 0.174 2.273 1.00 32.15 C ATOM 933 CH2 TRP A 57 -10.395 0.292 1.116 1.00 40.34 C ATOM 0 H TRP A 57 -12.114 4.726 5.411 1.00 14.32 H new ATOM 0 HA TRP A 57 -10.746 3.389 7.467 1.00 35.31 H new ATOM 0 HB2 TRP A 57 -11.033 1.314 6.271 1.00 31.51 H new ATOM 0 HB3 TRP A 57 -12.501 2.219 6.583 1.00 31.51 H new ATOM 0 HD1 TRP A 57 -13.902 3.068 4.485 1.00 43.25 H new ATOM 0 HE1 TRP A 57 -13.890 2.422 1.989 1.00 62.32 H new ATOM 0 HE3 TRP A 57 -9.414 0.631 4.357 1.00 12.13 H new ATOM 0 HZ2 TRP A 57 -12.191 1.034 0.239 1.00 0.23 H new ATOM 0 HZ3 TRP A 57 -8.673 -0.354 2.227 1.00 32.15 H new ATOM 0 HH2 TRP A 57 -10.043 -0.144 0.193 1.00 40.34 H new ATOM 944 N ILE A 58 -8.892 4.155 4.976 1.00 65.32 N ATOM 945 CA ILE A 58 -7.494 4.268 4.598 1.00 74.21 C ATOM 946 C ILE A 58 -6.733 5.008 5.704 1.00 52.01 C ATOM 947 O ILE A 58 -5.658 4.575 6.115 1.00 11.04 O ATOM 948 CB ILE A 58 -7.314 4.997 3.229 1.00 11.23 C ATOM 949 CG1 ILE A 58 -7.932 4.176 2.092 1.00 71.22 C ATOM 950 CG2 ILE A 58 -5.844 5.288 2.937 1.00 3.34 C ATOM 951 CD1 ILE A 58 -7.297 2.812 1.903 1.00 24.40 C ATOM 0 H ILE A 58 -9.528 4.726 4.420 1.00 65.32 H new ATOM 0 HA ILE A 58 -7.090 3.263 4.477 1.00 74.21 H new ATOM 0 HB ILE A 58 -7.836 5.951 3.295 1.00 11.23 H new ATOM 0 HG12 ILE A 58 -8.996 4.046 2.288 1.00 71.22 H new ATOM 0 HG13 ILE A 58 -7.845 4.738 1.162 1.00 71.22 H new ATOM 0 HG21 ILE A 58 -5.757 5.796 1.976 1.00 3.34 H new ATOM 0 HG22 ILE A 58 -5.436 5.925 3.722 1.00 3.34 H new ATOM 0 HG23 ILE A 58 -5.287 4.351 2.904 1.00 3.34 H new ATOM 0 HD11 ILE A 58 -7.789 2.293 1.081 1.00 24.40 H new ATOM 0 HD12 ILE A 58 -6.238 2.932 1.675 1.00 24.40 H new ATOM 0 HD13 ILE A 58 -7.407 2.229 2.818 1.00 24.40 H new ATOM 963 N GLN A 59 -7.330 6.103 6.197 1.00 61.14 N ATOM 964 CA GLN A 59 -6.758 6.909 7.293 1.00 60.21 C ATOM 965 C GLN A 59 -6.451 6.028 8.496 1.00 31.44 C ATOM 966 O GLN A 59 -5.333 6.018 8.997 1.00 33.22 O ATOM 967 CB GLN A 59 -7.769 7.975 7.753 1.00 4.14 C ATOM 968 CG GLN A 59 -8.193 8.984 6.706 1.00 41.21 C ATOM 969 CD GLN A 59 -7.078 9.882 6.275 1.00 22.55 C ATOM 970 OE1 GLN A 59 -6.866 10.931 6.877 1.00 34.05 O ATOM 971 NE2 GLN A 59 -6.388 9.521 5.230 1.00 21.33 N ATOM 0 H GLN A 59 -8.221 6.457 5.850 1.00 61.14 H new ATOM 0 HA GLN A 59 -5.847 7.376 6.919 1.00 60.21 H new ATOM 0 HB2 GLN A 59 -8.660 7.467 8.121 1.00 4.14 H new ATOM 0 HB3 GLN A 59 -7.339 8.515 8.596 1.00 4.14 H new ATOM 0 HG2 GLN A 59 -8.583 8.455 5.836 1.00 41.21 H new ATOM 0 HG3 GLN A 59 -9.008 9.590 7.102 1.00 41.21 H new ATOM 0 HE21 GLN A 59 -6.598 8.641 4.760 1.00 21.33 H new ATOM 0 HE22 GLN A 59 -5.638 10.119 4.882 1.00 21.33 H new ATOM 980 N GLU A 60 -7.450 5.261 8.915 1.00 12.23 N ATOM 981 CA GLU A 60 -7.346 4.395 10.073 1.00 34.35 C ATOM 982 C GLU A 60 -6.263 3.339 9.840 1.00 43.44 C ATOM 983 O GLU A 60 -5.432 3.060 10.711 1.00 61.04 O ATOM 984 CB GLU A 60 -8.674 3.662 10.282 1.00 64.11 C ATOM 985 CG GLU A 60 -9.929 4.533 10.323 1.00 11.21 C ATOM 986 CD GLU A 60 -9.930 5.581 11.406 1.00 2.45 C ATOM 987 OE1 GLU A 60 -9.836 5.225 12.583 1.00 54.14 O ATOM 988 OE2 GLU A 60 -10.108 6.782 11.080 1.00 64.21 O ATOM 0 H GLU A 60 -8.360 5.225 8.455 1.00 12.23 H new ATOM 0 HA GLU A 60 -7.099 5.005 10.942 1.00 34.35 H new ATOM 0 HB2 GLU A 60 -8.791 2.931 9.482 1.00 64.11 H new ATOM 0 HB3 GLU A 60 -8.614 3.105 11.217 1.00 64.11 H new ATOM 0 HG2 GLU A 60 -10.045 5.026 9.358 1.00 11.21 H new ATOM 0 HG3 GLU A 60 -10.798 3.889 10.458 1.00 11.21 H new ATOM 995 N TYR A 61 -6.285 2.779 8.644 1.00 13.33 N ATOM 996 CA TYR A 61 -5.428 1.679 8.260 1.00 34.23 C ATOM 997 C TYR A 61 -3.955 2.106 8.263 1.00 22.15 C ATOM 998 O TYR A 61 -3.112 1.469 8.926 1.00 5.30 O ATOM 999 CB TYR A 61 -5.844 1.205 6.868 1.00 54.24 C ATOM 1000 CG TYR A 61 -5.335 -0.145 6.481 1.00 24.11 C ATOM 1001 CD1 TYR A 61 -4.095 -0.311 5.900 1.00 20.01 C ATOM 1002 CD2 TYR A 61 -6.121 -1.266 6.694 1.00 24.44 C ATOM 1003 CE1 TYR A 61 -3.647 -1.553 5.544 1.00 53.14 C ATOM 1004 CE2 TYR A 61 -5.689 -2.515 6.345 1.00 12.54 C ATOM 1005 CZ TYR A 61 -4.441 -2.657 5.766 1.00 1.32 C ATOM 1006 OH TYR A 61 -3.988 -3.901 5.411 1.00 65.42 O ATOM 0 H TYR A 61 -6.912 3.084 7.900 1.00 13.33 H new ATOM 0 HA TYR A 61 -5.535 0.866 8.978 1.00 34.23 H new ATOM 0 HB2 TYR A 61 -6.933 1.195 6.815 1.00 54.24 H new ATOM 0 HB3 TYR A 61 -5.496 1.932 6.134 1.00 54.24 H new ATOM 0 HD1 TYR A 61 -3.469 0.552 5.724 1.00 20.01 H new ATOM 0 HD2 TYR A 61 -7.095 -1.151 7.145 1.00 24.44 H new ATOM 0 HE1 TYR A 61 -2.674 -1.668 5.090 1.00 53.14 H new ATOM 0 HE2 TYR A 61 -6.313 -3.379 6.519 1.00 12.54 H new ATOM 0 HH TYR A 61 -3.023 -3.863 5.245 1.00 65.42 H new ATOM 1016 N LEU A 62 -3.659 3.183 7.537 1.00 35.35 N ATOM 1017 CA LEU A 62 -2.296 3.722 7.449 1.00 21.32 C ATOM 1018 C LEU A 62 -1.784 4.091 8.827 1.00 3.03 C ATOM 1019 O LEU A 62 -0.694 3.690 9.217 1.00 42.24 O ATOM 1020 CB LEU A 62 -2.257 4.980 6.571 1.00 44.05 C ATOM 1021 CG LEU A 62 -2.754 4.847 5.136 1.00 33.24 C ATOM 1022 CD1 LEU A 62 -2.661 6.190 4.424 1.00 53.55 C ATOM 1023 CD2 LEU A 62 -1.976 3.791 4.373 1.00 0.55 C ATOM 0 H LEU A 62 -4.348 3.705 6.996 1.00 35.35 H new ATOM 0 HA LEU A 62 -1.668 2.948 7.008 1.00 21.32 H new ATOM 0 HB2 LEU A 62 -2.848 5.753 7.062 1.00 44.05 H new ATOM 0 HB3 LEU A 62 -1.228 5.338 6.540 1.00 44.05 H new ATOM 0 HG LEU A 62 -3.796 4.530 5.170 1.00 33.24 H new ATOM 0 HD11 LEU A 62 -3.018 6.084 3.400 1.00 53.55 H new ATOM 0 HD12 LEU A 62 -3.274 6.923 4.948 1.00 53.55 H new ATOM 0 HD13 LEU A 62 -1.624 6.525 4.414 1.00 53.55 H new ATOM 0 HD21 LEU A 62 -2.357 3.723 3.354 1.00 0.55 H new ATOM 0 HD22 LEU A 62 -0.921 4.063 4.348 1.00 0.55 H new ATOM 0 HD23 LEU A 62 -2.090 2.827 4.868 1.00 0.55 H new ATOM 1035 N GLU A 63 -2.589 4.858 9.555 1.00 74.22 N ATOM 1036 CA GLU A 63 -2.259 5.324 10.877 1.00 70.53 C ATOM 1037 C GLU A 63 -1.927 4.151 11.840 1.00 61.21 C ATOM 1038 O GLU A 63 -0.927 4.212 12.567 1.00 5.42 O ATOM 1039 CB GLU A 63 -3.424 6.194 11.356 1.00 22.22 C ATOM 1040 CG GLU A 63 -3.217 7.021 12.605 1.00 54.13 C ATOM 1041 CD GLU A 63 -3.182 6.235 13.899 1.00 31.22 C ATOM 1042 OE1 GLU A 63 -4.181 5.558 14.220 1.00 45.10 O ATOM 1043 OE2 GLU A 63 -2.186 6.336 14.653 1.00 20.15 O ATOM 0 H GLU A 63 -3.502 5.173 9.228 1.00 74.22 H new ATOM 0 HA GLU A 63 -1.348 5.923 10.860 1.00 70.53 H new ATOM 0 HB2 GLU A 63 -3.692 6.872 10.546 1.00 22.22 H new ATOM 0 HB3 GLU A 63 -4.282 5.543 11.523 1.00 22.22 H new ATOM 0 HG2 GLU A 63 -2.281 7.571 12.507 1.00 54.13 H new ATOM 0 HG3 GLU A 63 -4.016 7.760 12.669 1.00 54.13 H new ATOM 1050 N LYS A 64 -2.723 3.073 11.826 1.00 3.42 N ATOM 1051 CA LYS A 64 -2.442 1.965 12.720 1.00 64.51 C ATOM 1052 C LYS A 64 -1.180 1.176 12.316 1.00 41.35 C ATOM 1053 O LYS A 64 -0.375 0.832 13.166 1.00 63.22 O ATOM 1054 CB LYS A 64 -3.700 1.085 13.038 1.00 22.41 C ATOM 1055 CG LYS A 64 -4.387 0.309 11.881 1.00 24.31 C ATOM 1056 CD LYS A 64 -3.604 -0.907 11.393 1.00 73.21 C ATOM 1057 CE LYS A 64 -3.411 -1.948 12.491 1.00 3.13 C ATOM 1058 NZ LYS A 64 -4.697 -2.504 13.007 1.00 35.51 N ATOM 0 H LYS A 64 -3.538 2.954 11.224 1.00 3.42 H new ATOM 0 HA LYS A 64 -2.188 2.407 13.684 1.00 64.51 H new ATOM 0 HB2 LYS A 64 -3.410 0.357 13.796 1.00 22.41 H new ATOM 0 HB3 LYS A 64 -4.450 1.734 13.490 1.00 22.41 H new ATOM 0 HG2 LYS A 64 -5.373 -0.017 12.212 1.00 24.31 H new ATOM 0 HG3 LYS A 64 -4.540 0.989 11.043 1.00 24.31 H new ATOM 0 HD2 LYS A 64 -4.129 -1.361 10.553 1.00 73.21 H new ATOM 0 HD3 LYS A 64 -2.630 -0.586 11.024 1.00 73.21 H new ATOM 0 HE2 LYS A 64 -2.799 -2.763 12.106 1.00 3.13 H new ATOM 0 HE3 LYS A 64 -2.860 -1.498 13.317 1.00 3.13 H new ATOM 0 HZ1 LYS A 64 -4.498 -3.264 13.688 1.00 35.51 H new ATOM 0 HZ2 LYS A 64 -5.237 -1.750 13.478 1.00 35.51 H new ATOM 0 HZ3 LYS A 64 -5.253 -2.885 12.215 1.00 35.51 H new ATOM 1072 N CYS A 65 -1.013 0.906 11.026 1.00 15.04 N ATOM 1073 CA CYS A 65 0.204 0.273 10.503 1.00 13.31 C ATOM 1074 C CYS A 65 1.435 1.181 10.565 1.00 52.52 C ATOM 1075 O CYS A 65 2.533 0.714 10.349 1.00 54.33 O ATOM 1076 CB CYS A 65 0.025 -0.271 9.073 1.00 43.11 C ATOM 1077 SG CYS A 65 -1.036 -1.754 8.927 1.00 40.53 S ATOM 0 H CYS A 65 -1.710 1.116 10.312 1.00 15.04 H new ATOM 0 HA CYS A 65 0.381 -0.570 11.171 1.00 13.31 H new ATOM 0 HB2 CYS A 65 -0.396 0.519 8.452 1.00 43.11 H new ATOM 0 HB3 CYS A 65 1.008 -0.507 8.666 1.00 43.11 H new ATOM 1082 N LEU A 66 1.251 2.465 10.853 1.00 13.31 N ATOM 1083 CA LEU A 66 2.365 3.383 10.989 1.00 0.45 C ATOM 1084 C LEU A 66 3.223 2.918 12.174 1.00 62.41 C ATOM 1085 O LEU A 66 4.414 2.689 12.044 1.00 45.43 O ATOM 1086 CB LEU A 66 1.820 4.827 11.210 1.00 54.42 C ATOM 1087 CG LEU A 66 2.795 6.018 11.043 1.00 72.14 C ATOM 1088 CD1 LEU A 66 3.944 5.980 12.023 1.00 44.10 C ATOM 1089 CD2 LEU A 66 3.304 6.062 9.630 1.00 34.31 C ATOM 0 H LEU A 66 0.335 2.890 10.996 1.00 13.31 H new ATOM 0 HA LEU A 66 2.979 3.394 10.088 1.00 0.45 H new ATOM 0 HB2 LEU A 66 0.991 4.978 10.519 1.00 54.42 H new ATOM 0 HB3 LEU A 66 1.407 4.875 12.218 1.00 54.42 H new ATOM 0 HG LEU A 66 2.236 6.928 11.262 1.00 72.14 H new ATOM 0 HD11 LEU A 66 4.593 6.840 11.857 1.00 44.10 H new ATOM 0 HD12 LEU A 66 3.555 6.010 13.041 1.00 44.10 H new ATOM 0 HD13 LEU A 66 4.514 5.062 11.880 1.00 44.10 H new ATOM 0 HD21 LEU A 66 3.990 6.902 9.516 1.00 34.31 H new ATOM 0 HD22 LEU A 66 3.827 5.133 9.402 1.00 34.31 H new ATOM 0 HD23 LEU A 66 2.465 6.183 8.945 1.00 34.31 H new ATOM 1101 N ASN A 67 2.594 2.751 13.315 1.00 12.45 N ATOM 1102 CA ASN A 67 3.297 2.280 14.514 1.00 45.44 C ATOM 1103 C ASN A 67 3.317 0.764 14.547 1.00 12.22 C ATOM 1104 O ASN A 67 3.834 0.145 15.479 1.00 3.55 O ATOM 1105 CB ASN A 67 2.634 2.818 15.790 1.00 5.50 C ATOM 1106 CG ASN A 67 2.722 4.327 15.929 1.00 63.21 C ATOM 1107 OD1 ASN A 67 1.859 5.058 15.451 1.00 62.30 O ATOM 1108 ND2 ASN A 67 3.748 4.798 16.594 1.00 1.23 N ATOM 0 H ASN A 67 1.599 2.930 13.451 1.00 12.45 H new ATOM 0 HA ASN A 67 4.320 2.654 14.473 1.00 45.44 H new ATOM 0 HB2 ASN A 67 1.585 2.521 15.798 1.00 5.50 H new ATOM 0 HB3 ASN A 67 3.103 2.353 16.657 1.00 5.50 H new ATOM 0 HD21 ASN A 67 3.850 5.804 16.729 1.00 1.23 H new ATOM 0 HD22 ASN A 67 4.445 4.159 16.976 1.00 1.23 H new ATOM 1404 N GLY B 119 -14.077 6.743 -10.868 1.00 74.21 N ATOM 1405 CA GLY B 119 -14.698 7.867 -10.237 1.00 20.51 C ATOM 1406 C GLY B 119 -16.089 7.494 -9.864 1.00 43.25 C ATOM 1407 O GLY B 119 -17.068 8.021 -10.406 1.00 21.54 O ATOM 0 HA2 GLY B 119 -14.135 8.162 -9.351 1.00 20.51 H new ATOM 0 HA3 GLY B 119 -14.704 8.724 -10.911 1.00 20.51 H new ATOM 1411 N ASP B 120 -16.177 6.573 -8.964 1.00 23.15 N ATOM 1412 CA ASP B 120 -17.425 5.973 -8.571 1.00 22.32 C ATOM 1413 C ASP B 120 -17.392 5.695 -7.071 1.00 12.20 C ATOM 1414 O ASP B 120 -16.386 5.983 -6.440 1.00 43.33 O ATOM 1415 CB ASP B 120 -17.546 4.715 -9.403 1.00 2.41 C ATOM 1416 CG ASP B 120 -18.736 3.837 -9.139 1.00 1.10 C ATOM 1417 OD1 ASP B 120 -19.868 4.347 -9.030 1.00 43.30 O ATOM 1418 OD2 ASP B 120 -18.559 2.603 -9.097 1.00 42.24 O ATOM 0 H ASP B 120 -15.369 6.202 -8.464 1.00 23.15 H new ATOM 0 HA ASP B 120 -18.291 6.612 -8.743 1.00 22.32 H new ATOM 0 HB2 ASP B 120 -17.564 5.004 -10.454 1.00 2.41 H new ATOM 0 HB3 ASP B 120 -16.645 4.120 -9.251 1.00 2.41 H new ATOM 1447 N ASP B 122 -19.111 7.237 -4.584 1.00 65.34 N ATOM 1448 CA ASP B 122 -18.950 8.612 -4.091 1.00 63.21 C ATOM 1449 C ASP B 122 -17.776 9.287 -4.760 1.00 53.13 C ATOM 1450 O ASP B 122 -17.942 10.306 -5.435 1.00 62.11 O ATOM 1451 CB ASP B 122 -18.826 8.703 -2.582 1.00 71.35 C ATOM 1452 CG ASP B 122 -20.085 8.345 -1.838 1.00 62.44 C ATOM 1453 OD1 ASP B 122 -20.322 7.157 -1.591 1.00 11.43 O ATOM 1454 OD2 ASP B 122 -20.862 9.266 -1.469 1.00 50.33 O ATOM 0 HA ASP B 122 -19.868 9.137 -4.356 1.00 63.21 H new ATOM 0 HB2 ASP B 122 -18.023 8.043 -2.254 1.00 71.35 H new ATOM 0 HB3 ASP B 122 -18.534 9.718 -2.313 1.00 71.35 H new ATOM 1459 N SER B 123 -16.593 8.730 -4.538 1.00 34.13 N ATOM 1460 CA SER B 123 -15.374 9.132 -5.194 1.00 55.40 C ATOM 1461 C SER B 123 -14.883 10.532 -4.731 1.00 20.03 C ATOM 1462 O SER B 123 -14.082 11.188 -5.409 1.00 33.13 O ATOM 1463 CB SER B 123 -15.586 9.002 -6.742 1.00 32.35 C ATOM 1464 OG SER B 123 -14.452 9.370 -7.500 1.00 62.14 O ATOM 0 H SER B 123 -16.460 7.965 -3.876 1.00 34.13 H new ATOM 0 HA SER B 123 -14.557 8.470 -4.906 1.00 55.40 H new ATOM 0 HB2 SER B 123 -15.853 7.972 -6.979 1.00 32.35 H new ATOM 0 HB3 SER B 123 -16.429 9.626 -7.039 1.00 32.35 H new ATOM 0 HG SER B 123 -13.682 8.833 -7.219 1.00 62.14 H new ATOM 1470 N MET B 124 -15.314 10.954 -3.537 1.00 14.53 N ATOM 1471 CA MET B 124 -14.949 12.281 -3.013 1.00 44.45 C ATOM 1472 C MET B 124 -14.730 12.259 -1.491 1.00 71.04 C ATOM 1473 O MET B 124 -15.695 12.223 -0.731 1.00 50.30 O ATOM 1474 CB MET B 124 -16.054 13.314 -3.340 1.00 60.23 C ATOM 1475 CG MET B 124 -16.286 13.563 -4.821 1.00 52.14 C ATOM 1476 SD MET B 124 -17.641 14.716 -5.153 1.00 72.22 S ATOM 1477 CE MET B 124 -17.056 16.201 -4.331 1.00 21.43 C ATOM 0 H MET B 124 -15.910 10.404 -2.918 1.00 14.53 H new ATOM 0 HA MET B 124 -14.013 12.564 -3.495 1.00 44.45 H new ATOM 0 HB2 MET B 124 -16.989 12.976 -2.893 1.00 60.23 H new ATOM 0 HB3 MET B 124 -15.797 14.260 -2.864 1.00 60.23 H new ATOM 0 HG2 MET B 124 -15.370 13.954 -5.264 1.00 52.14 H new ATOM 0 HG3 MET B 124 -16.498 12.614 -5.313 1.00 52.14 H new ATOM 0 HE1 MET B 124 -17.617 17.062 -4.693 1.00 21.43 H new ATOM 0 HE2 MET B 124 -17.198 16.101 -3.255 1.00 21.43 H new ATOM 0 HE3 MET B 124 -15.997 16.342 -4.545 1.00 21.43 H new ATOM 1487 N LYS B 125 -13.477 12.230 -1.045 1.00 33.11 N ATOM 1488 CA LYS B 125 -13.169 12.325 0.388 1.00 10.44 C ATOM 1489 C LYS B 125 -12.047 13.309 0.693 1.00 73.40 C ATOM 1490 O LYS B 125 -11.462 13.913 -0.204 1.00 51.32 O ATOM 1491 CB LYS B 125 -12.843 10.962 1.020 1.00 61.53 C ATOM 1492 CG LYS B 125 -14.019 10.046 1.253 1.00 5.21 C ATOM 1493 CD LYS B 125 -14.949 10.620 2.314 1.00 15.23 C ATOM 1494 CE LYS B 125 -14.274 10.778 3.676 1.00 10.24 C ATOM 1495 NZ LYS B 125 -15.222 11.257 4.709 1.00 23.44 N ATOM 0 H LYS B 125 -12.659 12.142 -1.648 1.00 33.11 H new ATOM 0 HA LYS B 125 -14.086 12.704 0.840 1.00 10.44 H new ATOM 0 HB2 LYS B 125 -12.128 10.447 0.378 1.00 61.53 H new ATOM 0 HB3 LYS B 125 -12.347 11.135 1.975 1.00 61.53 H new ATOM 0 HG2 LYS B 125 -14.566 9.905 0.321 1.00 5.21 H new ATOM 0 HG3 LYS B 125 -13.665 9.064 1.566 1.00 5.21 H new ATOM 0 HD2 LYS B 125 -15.316 11.591 1.981 1.00 15.23 H new ATOM 0 HD3 LYS B 125 -15.818 9.970 2.418 1.00 15.23 H new ATOM 0 HE2 LYS B 125 -13.852 9.822 3.985 1.00 10.24 H new ATOM 0 HE3 LYS B 125 -13.444 11.480 3.591 1.00 10.24 H new ATOM 0 HZ1 LYS B 125 -14.726 11.351 5.618 1.00 23.44 H new ATOM 0 HZ2 LYS B 125 -15.606 12.181 4.426 1.00 23.44 H new ATOM 0 HZ3 LYS B 125 -16.001 10.575 4.809 1.00 23.44 H new ATOM 1509 N GLU B 126 -11.785 13.466 1.977 1.00 22.42 N ATOM 1510 CA GLU B 126 -10.743 14.306 2.509 1.00 2.40 C ATOM 1511 C GLU B 126 -10.249 13.655 3.808 1.00 75.04 C ATOM 1512 O GLU B 126 -11.041 12.965 4.482 1.00 2.33 O ATOM 1513 CB GLU B 126 -11.268 15.729 2.770 1.00 11.52 C ATOM 1514 CG GLU B 126 -12.467 15.795 3.700 1.00 51.41 C ATOM 1515 CD GLU B 126 -12.912 17.204 3.951 1.00 60.03 C ATOM 1516 OE1 GLU B 126 -13.636 17.765 3.112 1.00 24.42 O ATOM 1517 OE2 GLU B 126 -12.554 17.769 5.001 1.00 73.34 O ATOM 0 H GLU B 126 -12.319 12.989 2.704 1.00 22.42 H new ATOM 0 HA GLU B 126 -9.924 14.397 1.796 1.00 2.40 H new ATOM 0 HB2 GLU B 126 -10.462 16.329 3.193 1.00 11.52 H new ATOM 0 HB3 GLU B 126 -11.537 16.184 1.817 1.00 11.52 H new ATOM 0 HG2 GLU B 126 -13.291 15.227 3.268 1.00 51.41 H new ATOM 0 HG3 GLU B 126 -12.215 15.321 4.649 1.00 51.41 H new ATOM 1524 N PRO B 127 -8.963 13.851 4.184 1.00 3.45 N ATOM 1525 CA PRO B 127 -8.361 13.196 5.340 1.00 1.15 C ATOM 1526 C PRO B 127 -9.043 13.547 6.641 1.00 31.24 C ATOM 1527 O PRO B 127 -9.539 14.670 6.835 1.00 50.10 O ATOM 1528 CB PRO B 127 -6.922 13.718 5.348 1.00 23.10 C ATOM 1529 CG PRO B 127 -6.698 14.163 3.968 1.00 5.33 C ATOM 1530 CD PRO B 127 -7.997 14.733 3.534 1.00 22.04 C ATOM 0 HA PRO B 127 -8.441 12.112 5.261 1.00 1.15 H new ATOM 0 HB2 PRO B 127 -6.799 14.537 6.056 1.00 23.10 H new ATOM 0 HB3 PRO B 127 -6.216 12.939 5.636 1.00 23.10 H new ATOM 0 HG2 PRO B 127 -5.903 14.907 3.917 1.00 5.33 H new ATOM 0 HG3 PRO B 127 -6.398 13.332 3.329 1.00 5.33 H new ATOM 0 HD2 PRO B 127 -8.113 15.768 3.855 1.00 22.04 H new ATOM 0 HD3 PRO B 127 -8.103 14.721 2.449 1.00 22.04 H new ATOM 1855 N CYS C 209 1.921 -16.256 5.992 1.00 3.23 N ATOM 1856 CA CYS C 209 2.065 -14.990 5.347 1.00 10.14 C ATOM 1857 C CYS C 209 2.848 -15.198 4.056 1.00 55.23 C ATOM 1858 O CYS C 209 3.844 -15.926 4.067 1.00 74.45 O ATOM 1859 CB CYS C 209 2.801 -14.015 6.290 1.00 23.31 C ATOM 1860 SG CYS C 209 2.033 -13.886 7.938 1.00 13.15 S ATOM 0 HA CYS C 209 1.091 -14.562 5.111 1.00 10.14 H new ATOM 0 HB2 CYS C 209 3.835 -14.341 6.403 1.00 23.31 H new ATOM 0 HB3 CYS C 209 2.827 -13.027 5.831 1.00 23.31 H new ATOM 1865 N PRO C 210 2.381 -14.614 2.909 1.00 35.04 N ATOM 1866 CA PRO C 210 3.108 -14.678 1.630 1.00 11.04 C ATOM 1867 C PRO C 210 4.557 -14.272 1.844 1.00 31.52 C ATOM 1868 O PRO C 210 5.486 -14.918 1.371 1.00 72.01 O ATOM 1869 CB PRO C 210 2.359 -13.648 0.770 1.00 53.24 C ATOM 1870 CG PRO C 210 0.973 -13.705 1.284 1.00 63.20 C ATOM 1871 CD PRO C 210 1.108 -13.888 2.767 1.00 2.32 C ATOM 0 HA PRO C 210 3.136 -15.668 1.176 1.00 11.04 H new ATOM 0 HB2 PRO C 210 2.785 -12.651 0.877 1.00 53.24 H new ATOM 0 HB3 PRO C 210 2.404 -13.902 -0.289 1.00 53.24 H new ATOM 0 HG2 PRO C 210 0.428 -12.791 1.048 1.00 63.20 H new ATOM 0 HG3 PRO C 210 0.420 -14.530 0.835 1.00 63.20 H new ATOM 0 HD2 PRO C 210 1.131 -12.931 3.289 1.00 2.32 H new ATOM 0 HD3 PRO C 210 0.274 -14.456 3.179 1.00 2.32 H new ATOM 1879 N CYS C 211 4.730 -13.199 2.548 1.00 25.32 N ATOM 1880 CA CYS C 211 6.015 -12.795 2.991 1.00 42.44 C ATOM 1881 C CYS C 211 6.180 -13.215 4.432 1.00 44.12 C ATOM 1882 O CYS C 211 5.708 -12.528 5.330 1.00 72.51 O ATOM 1883 CB CYS C 211 6.171 -11.300 2.857 1.00 34.35 C ATOM 1884 SG CYS C 211 5.995 -10.718 1.152 1.00 52.05 S ATOM 0 H CYS C 211 3.973 -12.577 2.831 1.00 25.32 H new ATOM 0 HA CYS C 211 6.783 -13.268 2.379 1.00 42.44 H new ATOM 0 HB2 CYS C 211 5.427 -10.806 3.482 1.00 34.35 H new ATOM 0 HB3 CYS C 211 7.151 -11.008 3.235 1.00 34.35 H new ATOM 1889 N ARG C 212 6.772 -14.364 4.670 1.00 14.44 N ATOM 1890 CA ARG C 212 6.953 -14.798 6.044 1.00 61.20 C ATOM 1891 C ARG C 212 8.161 -14.081 6.629 1.00 41.34 C ATOM 1892 O ARG C 212 8.274 -13.881 7.844 1.00 61.12 O ATOM 1893 CB ARG C 212 7.094 -16.318 6.144 1.00 44.40 C ATOM 1894 CG ARG C 212 7.040 -16.817 7.576 1.00 53.31 C ATOM 1895 CD ARG C 212 7.132 -18.320 7.663 1.00 31.45 C ATOM 1896 NE ARG C 212 6.985 -18.773 9.049 1.00 54.12 N ATOM 1897 CZ ARG C 212 7.252 -20.001 9.500 1.00 4.03 C ATOM 1898 NH1 ARG C 212 7.676 -20.946 8.673 1.00 25.13 N ATOM 1899 NH2 ARG C 212 7.080 -20.279 10.785 1.00 55.22 N ATOM 0 H ARG C 212 7.128 -15.001 3.957 1.00 14.44 H new ATOM 0 HA ARG C 212 6.066 -14.538 6.622 1.00 61.20 H new ATOM 0 HB2 ARG C 212 6.299 -16.791 5.568 1.00 44.40 H new ATOM 0 HB3 ARG C 212 8.039 -16.622 5.693 1.00 44.40 H new ATOM 0 HG2 ARG C 212 7.857 -16.372 8.144 1.00 53.31 H new ATOM 0 HG3 ARG C 212 6.111 -16.485 8.039 1.00 53.31 H new ATOM 0 HD2 ARG C 212 6.357 -18.772 7.044 1.00 31.45 H new ATOM 0 HD3 ARG C 212 8.091 -18.653 7.267 1.00 31.45 H new ATOM 0 HE ARG C 212 6.649 -18.090 9.729 1.00 54.12 H new ATOM 0 HH11 ARG C 212 7.801 -20.738 7.682 1.00 25.13 H new ATOM 0 HH12 ARG C 212 7.877 -21.881 9.027 1.00 25.13 H new ATOM 0 HH21 ARG C 212 6.745 -19.557 11.423 1.00 55.22 H new ATOM 0 HH22 ARG C 212 7.282 -21.215 11.136 1.00 55.22 H new ATOM 1913 N PHE C 213 9.044 -13.691 5.747 1.00 51.01 N ATOM 1914 CA PHE C 213 10.186 -12.897 6.078 1.00 1.30 C ATOM 1915 C PHE C 213 10.148 -11.663 5.217 1.00 10.42 C ATOM 1916 O PHE C 213 9.657 -11.712 4.083 1.00 52.33 O ATOM 1917 CB PHE C 213 11.493 -13.667 5.871 1.00 31.24 C ATOM 1918 CG PHE C 213 11.662 -14.845 6.785 1.00 42.53 C ATOM 1919 CD1 PHE C 213 12.196 -14.675 8.050 1.00 11.15 C ATOM 1920 CD2 PHE C 213 11.290 -16.116 6.385 1.00 70.10 C ATOM 1921 CE1 PHE C 213 12.357 -15.747 8.900 1.00 12.44 C ATOM 1922 CE2 PHE C 213 11.449 -17.194 7.230 1.00 1.15 C ATOM 1923 CZ PHE C 213 11.983 -17.007 8.491 1.00 33.31 C ATOM 0 H PHE C 213 8.982 -13.925 4.756 1.00 51.01 H new ATOM 0 HA PHE C 213 10.153 -12.629 7.134 1.00 1.30 H new ATOM 0 HB2 PHE C 213 11.539 -14.013 4.838 1.00 31.24 H new ATOM 0 HB3 PHE C 213 12.331 -12.985 6.016 1.00 31.24 H new ATOM 0 HD1 PHE C 213 12.491 -13.688 8.376 1.00 11.15 H new ATOM 0 HD2 PHE C 213 10.871 -16.265 5.401 1.00 70.10 H new ATOM 0 HE1 PHE C 213 12.776 -15.599 9.885 1.00 12.44 H new ATOM 0 HE2 PHE C 213 11.157 -18.182 6.907 1.00 1.15 H new ATOM 0 HZ PHE C 213 12.107 -17.849 9.155 1.00 33.31 H new ATOM 1933 N PHE C 214 10.618 -10.573 5.738 1.00 24.22 N ATOM 1934 CA PHE C 214 10.560 -9.314 5.043 1.00 53.13 C ATOM 1935 C PHE C 214 11.870 -8.561 5.101 1.00 74.31 C ATOM 1936 O PHE C 214 12.641 -8.715 6.035 1.00 64.02 O ATOM 1937 CB PHE C 214 9.392 -8.455 5.563 1.00 43.00 C ATOM 1938 CG PHE C 214 9.369 -8.288 7.061 1.00 42.34 C ATOM 1939 CD1 PHE C 214 10.162 -7.348 7.684 1.00 51.01 C ATOM 1940 CD2 PHE C 214 8.545 -9.082 7.840 1.00 41.34 C ATOM 1941 CE1 PHE C 214 10.137 -7.203 9.054 1.00 52.40 C ATOM 1942 CE2 PHE C 214 8.518 -8.939 9.209 1.00 11.31 C ATOM 1943 CZ PHE C 214 9.313 -7.999 9.815 1.00 65.11 C ATOM 0 H PHE C 214 11.055 -10.525 6.659 1.00 24.22 H new ATOM 0 HA PHE C 214 10.378 -9.536 3.991 1.00 53.13 H new ATOM 0 HB2 PHE C 214 9.445 -7.470 5.099 1.00 43.00 H new ATOM 0 HB3 PHE C 214 8.453 -8.907 5.244 1.00 43.00 H new ATOM 0 HD1 PHE C 214 10.810 -6.719 7.092 1.00 51.01 H new ATOM 0 HD2 PHE C 214 7.916 -9.822 7.368 1.00 41.34 H new ATOM 0 HE1 PHE C 214 10.764 -6.464 9.530 1.00 52.40 H new ATOM 0 HE2 PHE C 214 7.872 -9.566 9.805 1.00 11.31 H new ATOM 0 HZ PHE C 214 9.292 -7.884 10.889 1.00 65.11 H new ATOM 1953 N GLU C 215 12.104 -7.792 4.096 1.00 44.43 N ATOM 1954 CA GLU C 215 13.255 -6.945 3.960 1.00 13.41 C ATOM 1955 C GLU C 215 13.024 -5.628 4.708 1.00 63.33 C ATOM 1956 O GLU C 215 11.877 -5.193 4.879 1.00 43.20 O ATOM 1957 CB GLU C 215 13.492 -6.644 2.475 1.00 14.01 C ATOM 1958 CG GLU C 215 14.062 -7.789 1.625 1.00 60.12 C ATOM 1959 CD GLU C 215 13.248 -9.072 1.586 1.00 23.35 C ATOM 1960 OE1 GLU C 215 12.121 -9.076 1.059 1.00 21.23 O ATOM 1961 OE2 GLU C 215 13.783 -10.118 1.999 1.00 42.21 O ATOM 0 H GLU C 215 11.469 -7.728 3.300 1.00 44.43 H new ATOM 0 HA GLU C 215 14.124 -7.452 4.380 1.00 13.41 H new ATOM 0 HB2 GLU C 215 12.545 -6.332 2.035 1.00 14.01 H new ATOM 0 HB3 GLU C 215 14.172 -5.795 2.403 1.00 14.01 H new ATOM 0 HG2 GLU C 215 14.181 -7.429 0.603 1.00 60.12 H new ATOM 0 HG3 GLU C 215 15.058 -8.028 1.997 1.00 60.12 H new ATOM 1968 N SER C 216 14.095 -4.994 5.152 1.00 22.23 N ATOM 1969 CA SER C 216 13.958 -3.742 5.860 1.00 45.55 C ATOM 1970 C SER C 216 14.747 -2.606 5.176 1.00 35.21 C ATOM 1971 O SER C 216 14.170 -1.630 4.704 1.00 30.33 O ATOM 1972 CB SER C 216 14.350 -3.898 7.342 1.00 4.22 C ATOM 1973 OG SER C 216 15.692 -4.339 7.485 1.00 54.40 O ATOM 0 H SER C 216 15.054 -5.322 5.036 1.00 22.23 H new ATOM 0 HA SER C 216 12.906 -3.459 5.825 1.00 45.55 H new ATOM 0 HB2 SER C 216 14.223 -2.944 7.855 1.00 4.22 H new ATOM 0 HB3 SER C 216 13.679 -4.610 7.823 1.00 4.22 H new ATOM 0 HG SER C 216 15.926 -4.371 8.436 1.00 54.40 H new ATOM 1979 N HIS C 217 16.052 -2.739 5.103 1.00 73.22 N ATOM 1980 CA HIS C 217 16.875 -1.695 4.515 1.00 0.30 C ATOM 1981 C HIS C 217 16.850 -1.757 3.005 1.00 1.21 C ATOM 1982 O HIS C 217 17.716 -2.351 2.368 1.00 54.12 O ATOM 1983 CB HIS C 217 18.309 -1.668 5.073 1.00 72.00 C ATOM 1984 CG HIS C 217 18.402 -1.292 6.534 1.00 11.04 C ATOM 1985 ND1 HIS C 217 19.078 -0.185 6.990 1.00 24.21 N ATOM 1986 CD2 HIS C 217 17.927 -1.908 7.643 1.00 45.50 C ATOM 1987 CE1 HIS C 217 19.016 -0.140 8.302 1.00 55.32 C ATOM 1988 NE2 HIS C 217 18.323 -1.176 8.726 1.00 13.41 N ATOM 0 H HIS C 217 16.568 -3.552 5.440 1.00 73.22 H new ATOM 0 HA HIS C 217 16.428 -0.746 4.812 1.00 0.30 H new ATOM 0 HB2 HIS C 217 18.759 -2.651 4.934 1.00 72.00 H new ATOM 0 HB3 HIS C 217 18.900 -0.962 4.490 1.00 72.00 H new ATOM 0 HD1 HIS C 217 19.555 0.497 6.400 1.00 24.21 H new ATOM 0 HD2 HIS C 217 17.341 -2.815 7.667 1.00 45.50 H new ATOM 0 HE1 HIS C 217 19.460 0.620 8.928 1.00 55.32 H new ATOM 1997 N VAL C 218 15.801 -1.207 2.463 1.00 13.14 N ATOM 1998 CA VAL C 218 15.565 -1.131 1.045 1.00 73.42 C ATOM 1999 C VAL C 218 15.368 0.336 0.694 1.00 72.23 C ATOM 2000 O VAL C 218 14.900 1.108 1.528 1.00 50.11 O ATOM 2001 CB VAL C 218 14.285 -1.949 0.660 1.00 52.11 C ATOM 2002 CG1 VAL C 218 14.006 -1.893 -0.835 1.00 42.53 C ATOM 2003 CG2 VAL C 218 14.422 -3.396 1.109 1.00 1.34 C ATOM 0 H VAL C 218 15.057 -0.782 3.016 1.00 13.14 H new ATOM 0 HA VAL C 218 16.408 -1.551 0.497 1.00 73.42 H new ATOM 0 HB VAL C 218 13.441 -1.491 1.175 1.00 52.11 H new ATOM 0 HG11 VAL C 218 13.111 -2.473 -1.060 1.00 42.53 H new ATOM 0 HG12 VAL C 218 13.853 -0.857 -1.138 1.00 42.53 H new ATOM 0 HG13 VAL C 218 14.854 -2.309 -1.379 1.00 42.53 H new ATOM 0 HG21 VAL C 218 13.524 -3.949 0.833 1.00 1.34 H new ATOM 0 HG22 VAL C 218 15.289 -3.847 0.625 1.00 1.34 H new ATOM 0 HG23 VAL C 218 14.552 -3.431 2.191 1.00 1.34 H new ATOM 2013 N ALA C 219 15.733 0.725 -0.497 1.00 53.35 N ATOM 2014 CA ALA C 219 15.610 2.094 -0.897 1.00 64.34 C ATOM 2015 C ALA C 219 14.311 2.282 -1.637 1.00 61.04 C ATOM 2016 O ALA C 219 14.023 1.543 -2.587 1.00 62.41 O ATOM 2017 CB ALA C 219 16.783 2.498 -1.777 1.00 12.14 C ATOM 0 H ALA C 219 16.120 0.106 -1.209 1.00 53.35 H new ATOM 0 HA ALA C 219 15.616 2.729 -0.011 1.00 64.34 H new ATOM 0 HB1 ALA C 219 16.674 3.542 -2.072 1.00 12.14 H new ATOM 0 HB2 ALA C 219 17.713 2.373 -1.223 1.00 12.14 H new ATOM 0 HB3 ALA C 219 16.803 1.869 -2.667 1.00 12.14 H new ATOM 2023 N ARG C 220 13.528 3.271 -1.231 1.00 11.24 N ATOM 2024 CA ARG C 220 12.245 3.534 -1.875 1.00 10.12 C ATOM 2025 C ARG C 220 12.387 3.948 -3.344 1.00 70.40 C ATOM 2026 O ARG C 220 11.426 3.982 -4.076 1.00 4.11 O ATOM 2027 CB ARG C 220 11.288 4.441 -1.038 1.00 62.50 C ATOM 2028 CG ARG C 220 11.763 5.847 -0.700 1.00 53.42 C ATOM 2029 CD ARG C 220 11.753 6.752 -1.902 1.00 1.31 C ATOM 2030 NE ARG C 220 12.278 8.075 -1.580 1.00 71.34 N ATOM 2031 CZ ARG C 220 13.062 8.796 -2.373 1.00 71.54 C ATOM 2032 NH1 ARG C 220 13.502 8.291 -3.517 1.00 12.42 N ATOM 2033 NH2 ARG C 220 13.419 10.010 -2.012 1.00 41.25 N ATOM 0 H ARG C 220 13.755 3.903 -0.463 1.00 11.24 H new ATOM 0 HA ARG C 220 11.731 2.573 -1.902 1.00 10.12 H new ATOM 0 HB2 ARG C 220 10.347 4.526 -1.581 1.00 62.50 H new ATOM 0 HB3 ARG C 220 11.071 3.926 -0.102 1.00 62.50 H new ATOM 0 HG2 ARG C 220 11.124 6.268 0.076 1.00 53.42 H new ATOM 0 HG3 ARG C 220 12.772 5.800 -0.291 1.00 53.42 H new ATOM 0 HD2 ARG C 220 12.349 6.307 -2.699 1.00 1.31 H new ATOM 0 HD3 ARG C 220 10.735 6.846 -2.280 1.00 1.31 H new ATOM 0 HE ARG C 220 12.023 8.476 -0.677 1.00 71.34 H new ATOM 0 HH11 ARG C 220 13.239 7.345 -3.792 1.00 12.42 H new ATOM 0 HH12 ARG C 220 14.104 8.849 -4.123 1.00 12.42 H new ATOM 0 HH21 ARG C 220 13.094 10.395 -1.125 1.00 41.25 H new ATOM 0 HH22 ARG C 220 14.021 10.566 -2.619 1.00 41.25 H new ATOM 2047 N ALA C 221 13.589 4.298 -3.742 1.00 53.12 N ATOM 2048 CA ALA C 221 13.863 4.634 -5.127 1.00 50.14 C ATOM 2049 C ALA C 221 14.034 3.363 -5.976 1.00 72.31 C ATOM 2050 O ALA C 221 13.817 3.379 -7.176 1.00 71.11 O ATOM 2051 CB ALA C 221 15.102 5.500 -5.222 1.00 12.04 C ATOM 0 H ALA C 221 14.399 4.359 -3.125 1.00 53.12 H new ATOM 0 HA ALA C 221 13.012 5.193 -5.517 1.00 50.14 H new ATOM 0 HB1 ALA C 221 15.296 5.744 -6.266 1.00 12.04 H new ATOM 0 HB2 ALA C 221 14.948 6.419 -4.657 1.00 12.04 H new ATOM 0 HB3 ALA C 221 15.955 4.960 -4.811 1.00 12.04 H new ATOM 2057 N ASN C 222 14.393 2.259 -5.335 1.00 1.45 N ATOM 2058 CA ASN C 222 14.642 0.998 -6.052 1.00 21.43 C ATOM 2059 C ASN C 222 13.353 0.192 -6.156 1.00 31.01 C ATOM 2060 O ASN C 222 13.270 -0.767 -6.902 1.00 73.52 O ATOM 2061 CB ASN C 222 15.747 0.184 -5.342 1.00 12.11 C ATOM 2062 CG ASN C 222 16.188 -1.066 -6.110 1.00 22.23 C ATOM 2063 OD1 ASN C 222 16.145 -1.108 -7.342 1.00 14.34 O ATOM 2064 ND2 ASN C 222 16.636 -2.070 -5.397 1.00 14.03 N ATOM 0 H ASN C 222 14.520 2.202 -4.325 1.00 1.45 H new ATOM 0 HA ASN C 222 14.986 1.226 -7.061 1.00 21.43 H new ATOM 0 HB2 ASN C 222 16.613 0.826 -5.185 1.00 12.11 H new ATOM 0 HB3 ASN C 222 15.389 -0.114 -4.357 1.00 12.11 H new ATOM 0 HD21 ASN C 222 16.962 -2.918 -5.860 1.00 14.03 H new ATOM 0 HD22 ASN C 222 16.658 -2.003 -4.379 1.00 14.03 H new ATOM 2071 N VAL C 223 12.337 0.611 -5.434 1.00 15.42 N ATOM 2072 CA VAL C 223 11.050 -0.049 -5.515 1.00 14.41 C ATOM 2073 C VAL C 223 10.198 0.682 -6.531 1.00 23.33 C ATOM 2074 O VAL C 223 10.364 1.884 -6.734 1.00 4.50 O ATOM 2075 CB VAL C 223 10.306 -0.117 -4.138 1.00 30.31 C ATOM 2076 CG1 VAL C 223 11.092 -0.930 -3.128 1.00 12.43 C ATOM 2077 CG2 VAL C 223 10.038 1.262 -3.586 1.00 12.13 C ATOM 0 H VAL C 223 12.375 1.400 -4.788 1.00 15.42 H new ATOM 0 HA VAL C 223 11.222 -1.081 -5.819 1.00 14.41 H new ATOM 0 HB VAL C 223 9.350 -0.610 -4.317 1.00 30.31 H new ATOM 0 HG11 VAL C 223 10.550 -0.959 -2.183 1.00 12.43 H new ATOM 0 HG12 VAL C 223 11.224 -1.945 -3.502 1.00 12.43 H new ATOM 0 HG13 VAL C 223 12.068 -0.471 -2.972 1.00 12.43 H new ATOM 0 HG21 VAL C 223 9.521 1.177 -2.630 1.00 12.13 H new ATOM 0 HG22 VAL C 223 10.983 1.786 -3.442 1.00 12.13 H new ATOM 0 HG23 VAL C 223 9.417 1.820 -4.287 1.00 12.13 H new ATOM 2087 N LYS C 224 9.354 -0.031 -7.222 1.00 73.04 N ATOM 2088 CA LYS C 224 8.496 0.592 -8.198 1.00 74.22 C ATOM 2089 C LYS C 224 7.194 1.038 -7.548 1.00 43.41 C ATOM 2090 O LYS C 224 6.598 2.048 -7.943 1.00 60.32 O ATOM 2091 CB LYS C 224 8.236 -0.342 -9.390 1.00 5.32 C ATOM 2092 CG LYS C 224 9.525 -0.737 -10.074 1.00 52.12 C ATOM 2093 CD LYS C 224 9.340 -1.444 -11.417 1.00 53.24 C ATOM 2094 CE LYS C 224 8.667 -2.800 -11.315 1.00 14.54 C ATOM 2095 NZ LYS C 224 8.581 -3.461 -12.649 1.00 3.24 N ATOM 0 H LYS C 224 9.239 -1.040 -7.131 1.00 73.04 H new ATOM 0 HA LYS C 224 9.003 1.475 -8.586 1.00 74.22 H new ATOM 0 HB2 LYS C 224 7.716 -1.236 -9.047 1.00 5.32 H new ATOM 0 HB3 LYS C 224 7.580 0.153 -10.106 1.00 5.32 H new ATOM 0 HG2 LYS C 224 10.128 0.158 -10.229 1.00 52.12 H new ATOM 0 HG3 LYS C 224 10.089 -1.390 -9.409 1.00 52.12 H new ATOM 0 HD2 LYS C 224 8.749 -0.805 -12.073 1.00 53.24 H new ATOM 0 HD3 LYS C 224 10.315 -1.569 -11.887 1.00 53.24 H new ATOM 0 HE2 LYS C 224 9.225 -3.435 -10.627 1.00 14.54 H new ATOM 0 HE3 LYS C 224 7.666 -2.682 -10.899 1.00 14.54 H new ATOM 0 HZ1 LYS C 224 8.117 -4.386 -12.549 1.00 3.24 H new ATOM 0 HZ2 LYS C 224 8.028 -2.864 -13.297 1.00 3.24 H new ATOM 0 HZ3 LYS C 224 9.538 -3.594 -13.033 1.00 3.24 H new ATOM 2109 N HIS C 225 6.769 0.280 -6.532 1.00 61.41 N ATOM 2110 CA HIS C 225 5.546 0.595 -5.763 1.00 44.44 C ATOM 2111 C HIS C 225 5.493 -0.236 -4.474 1.00 52.22 C ATOM 2112 O HIS C 225 6.319 -1.137 -4.280 1.00 41.15 O ATOM 2113 CB HIS C 225 4.248 0.317 -6.579 1.00 0.31 C ATOM 2114 CG HIS C 225 3.902 -1.151 -6.807 1.00 11.21 C ATOM 2115 ND1 HIS C 225 3.575 -2.140 -5.925 1.00 1.43 N flip ATOM 2116 CD2 HIS C 225 3.807 -1.728 -8.039 1.00 4.33 C flip ATOM 2117 CE1 HIS C 225 3.299 -3.252 -6.639 1.00 54.04 C flip ATOM 2118 NE2 HIS C 225 3.439 -2.986 -7.904 1.00 54.31 N flip ATOM 0 H HIS C 225 7.252 -0.561 -6.217 1.00 61.41 H new ATOM 0 HA HIS C 225 5.592 1.659 -5.531 1.00 44.44 H new ATOM 0 HB2 HIS C 225 3.412 0.791 -6.066 1.00 0.31 H new ATOM 0 HB3 HIS C 225 4.342 0.802 -7.550 1.00 0.31 H new ATOM 0 HD2 HIS C 225 4.003 -1.232 -8.978 1.00 4.33 H new ATOM 0 HE1 HIS C 225 3.009 -4.207 -6.227 1.00 54.04 H new ATOM 0 HE2 HIS C 225 3.288 -3.645 -8.668 1.00 54.31 H new ATOM 2127 N LEU C 226 4.464 0.020 -3.660 1.00 44.53 N ATOM 2128 CA LEU C 226 4.178 -0.747 -2.451 1.00 25.15 C ATOM 2129 C LEU C 226 2.819 -1.425 -2.605 1.00 25.03 C ATOM 2130 O LEU C 226 1.952 -0.921 -3.294 1.00 25.52 O ATOM 2131 CB LEU C 226 4.134 0.161 -1.202 1.00 33.32 C ATOM 2132 CG LEU C 226 5.425 0.866 -0.810 1.00 33.21 C ATOM 2133 CD1 LEU C 226 5.220 1.689 0.460 1.00 13.20 C ATOM 2134 CD2 LEU C 226 6.541 -0.137 -0.633 1.00 22.51 C ATOM 0 H LEU C 226 3.800 0.776 -3.827 1.00 44.53 H new ATOM 0 HA LEU C 226 4.972 -1.482 -2.319 1.00 25.15 H new ATOM 0 HB2 LEU C 226 3.369 0.921 -1.363 1.00 33.32 H new ATOM 0 HB3 LEU C 226 3.809 -0.444 -0.356 1.00 33.32 H new ATOM 0 HG LEU C 226 5.708 1.548 -1.612 1.00 33.21 H new ATOM 0 HD11 LEU C 226 6.153 2.186 0.726 1.00 13.20 H new ATOM 0 HD12 LEU C 226 4.446 2.437 0.288 1.00 13.20 H new ATOM 0 HD13 LEU C 226 4.914 1.032 1.274 1.00 13.20 H new ATOM 0 HD21 LEU C 226 7.457 0.383 -0.353 1.00 22.51 H new ATOM 0 HD22 LEU C 226 6.272 -0.846 0.150 1.00 22.51 H new ATOM 0 HD23 LEU C 226 6.700 -0.673 -1.569 1.00 22.51 H new ATOM 2146 N LYS C 227 2.660 -2.571 -2.022 1.00 64.00 N ATOM 2147 CA LYS C 227 1.391 -3.267 -2.013 1.00 53.44 C ATOM 2148 C LYS C 227 1.176 -3.869 -0.642 1.00 21.13 C ATOM 2149 O LYS C 227 2.061 -4.514 -0.110 1.00 25.23 O ATOM 2150 CB LYS C 227 1.309 -4.319 -3.160 1.00 65.21 C ATOM 2151 CG LYS C 227 -0.007 -5.115 -3.206 1.00 41.33 C ATOM 2152 CD LYS C 227 -0.174 -5.929 -4.505 1.00 21.01 C ATOM 2153 CE LYS C 227 0.948 -6.916 -4.735 1.00 71.12 C ATOM 2154 NZ LYS C 227 0.770 -7.692 -5.984 1.00 50.23 N ATOM 0 H LYS C 227 3.407 -3.063 -1.532 1.00 64.00 H new ATOM 0 HA LYS C 227 0.581 -2.564 -2.208 1.00 53.44 H new ATOM 0 HB2 LYS C 227 1.443 -3.809 -4.114 1.00 65.21 H new ATOM 0 HB3 LYS C 227 2.138 -5.019 -3.054 1.00 65.21 H new ATOM 0 HG2 LYS C 227 -0.046 -5.792 -2.352 1.00 41.33 H new ATOM 0 HG3 LYS C 227 -0.846 -4.426 -3.105 1.00 41.33 H new ATOM 0 HD2 LYS C 227 -1.121 -6.467 -4.470 1.00 21.01 H new ATOM 0 HD3 LYS C 227 -0.227 -5.244 -5.351 1.00 21.01 H new ATOM 0 HE2 LYS C 227 1.897 -6.381 -4.775 1.00 71.12 H new ATOM 0 HE3 LYS C 227 1.004 -7.602 -3.889 1.00 71.12 H new ATOM 0 HZ1 LYS C 227 1.564 -8.354 -6.097 1.00 50.23 H new ATOM 0 HZ2 LYS C 227 -0.122 -8.225 -5.937 1.00 50.23 H new ATOM 0 HZ3 LYS C 227 0.743 -7.042 -6.796 1.00 50.23 H new ATOM 2168 N ILE C 228 0.022 -3.636 -0.072 1.00 44.42 N ATOM 2169 CA ILE C 228 -0.253 -4.063 1.271 1.00 22.12 C ATOM 2170 C ILE C 228 -1.171 -5.277 1.263 1.00 30.03 C ATOM 2171 O ILE C 228 -2.235 -5.273 0.581 1.00 73.44 O ATOM 2172 CB ILE C 228 -0.905 -2.931 2.103 1.00 64.04 C ATOM 2173 CG1 ILE C 228 -0.088 -1.634 1.986 1.00 43.51 C ATOM 2174 CG2 ILE C 228 -0.985 -3.357 3.563 1.00 20.02 C ATOM 2175 CD1 ILE C 228 -0.677 -0.457 2.743 1.00 63.24 C ATOM 0 H ILE C 228 -0.749 -3.147 -0.526 1.00 44.42 H new ATOM 0 HA ILE C 228 0.699 -4.327 1.732 1.00 22.12 H new ATOM 0 HB ILE C 228 -1.908 -2.745 1.718 1.00 64.04 H new ATOM 0 HG12 ILE C 228 0.921 -1.819 2.353 1.00 43.51 H new ATOM 0 HG13 ILE C 228 -0.000 -1.367 0.933 1.00 43.51 H new ATOM 0 HG21 ILE C 228 -1.444 -2.561 4.150 1.00 20.02 H new ATOM 0 HG22 ILE C 228 -1.587 -4.262 3.646 1.00 20.02 H new ATOM 0 HG23 ILE C 228 0.019 -3.553 3.940 1.00 20.02 H new ATOM 0 HD11 ILE C 228 -0.040 0.417 2.608 1.00 63.24 H new ATOM 0 HD12 ILE C 228 -1.675 -0.242 2.361 1.00 63.24 H new ATOM 0 HD13 ILE C 228 -0.739 -0.701 3.804 1.00 63.24 H new ATOM 2187 N LEU C 229 -0.755 -6.288 2.009 1.00 41.01 N ATOM 2188 CA LEU C 229 -1.446 -7.558 2.158 1.00 22.10 C ATOM 2189 C LEU C 229 -1.382 -8.052 3.599 1.00 21.53 C ATOM 2190 O LEU C 229 -0.460 -8.757 3.975 1.00 55.02 O ATOM 2191 CB LEU C 229 -0.852 -8.610 1.194 1.00 13.22 C ATOM 2192 CG LEU C 229 -1.346 -8.540 -0.244 1.00 43.23 C ATOM 2193 CD1 LEU C 229 -0.459 -9.342 -1.179 1.00 3.13 C ATOM 2194 CD2 LEU C 229 -2.726 -9.126 -0.283 1.00 35.05 C ATOM 0 H LEU C 229 0.109 -6.244 2.549 1.00 41.01 H new ATOM 0 HA LEU C 229 -2.495 -7.406 1.903 1.00 22.10 H new ATOM 0 HB2 LEU C 229 0.233 -8.503 1.192 1.00 13.22 H new ATOM 0 HB3 LEU C 229 -1.073 -9.602 1.587 1.00 13.22 H new ATOM 0 HG LEU C 229 -1.334 -7.500 -0.570 1.00 43.23 H new ATOM 0 HD11 LEU C 229 -0.843 -9.269 -2.197 1.00 3.13 H new ATOM 0 HD12 LEU C 229 0.557 -8.947 -1.145 1.00 3.13 H new ATOM 0 HD13 LEU C 229 -0.453 -10.387 -0.868 1.00 3.13 H new ATOM 0 HD21 LEU C 229 -3.108 -9.090 -1.303 1.00 35.05 H new ATOM 0 HD22 LEU C 229 -2.691 -10.162 0.055 1.00 35.05 H new ATOM 0 HD23 LEU C 229 -3.383 -8.553 0.371 1.00 35.05 H new ATOM 2206 N ASN C 230 -2.348 -7.660 4.405 1.00 72.21 N ATOM 2207 CA ASN C 230 -2.358 -8.045 5.821 1.00 15.50 C ATOM 2208 C ASN C 230 -2.948 -9.399 6.036 1.00 22.32 C ATOM 2209 O ASN C 230 -4.131 -9.639 5.787 1.00 62.42 O ATOM 2210 CB ASN C 230 -3.038 -7.019 6.736 1.00 73.43 C ATOM 2211 CG ASN C 230 -2.218 -5.765 6.955 1.00 60.13 C ATOM 2212 OD1 ASN C 230 -1.437 -5.350 6.106 1.00 51.52 O ATOM 2213 ND2 ASN C 230 -2.384 -5.151 8.103 1.00 72.52 N ATOM 0 H ASN C 230 -3.135 -7.079 4.116 1.00 72.21 H new ATOM 0 HA ASN C 230 -1.306 -8.076 6.105 1.00 15.50 H new ATOM 0 HB2 ASN C 230 -4.001 -6.743 6.306 1.00 73.43 H new ATOM 0 HB3 ASN C 230 -3.241 -7.483 7.701 1.00 73.43 H new ATOM 0 HD21 ASN C 230 -1.855 -4.303 8.309 1.00 72.52 H new ATOM 0 HD22 ASN C 230 -3.042 -5.521 8.789 1.00 72.52 H new ATOM 2220 N THR C 231 -2.127 -10.271 6.505 1.00 41.41 N ATOM 2221 CA THR C 231 -2.488 -11.614 6.762 1.00 65.33 C ATOM 2222 C THR C 231 -2.927 -11.745 8.226 1.00 53.12 C ATOM 2223 O THR C 231 -2.597 -10.885 9.054 1.00 34.42 O ATOM 2224 CB THR C 231 -1.258 -12.492 6.519 1.00 40.14 C ATOM 2225 OG1 THR C 231 -0.214 -12.059 7.397 1.00 14.14 O ATOM 2226 CG2 THR C 231 -0.780 -12.332 5.086 1.00 21.41 C ATOM 0 H THR C 231 -1.154 -10.059 6.727 1.00 41.41 H new ATOM 0 HA THR C 231 -3.307 -11.922 6.112 1.00 65.33 H new ATOM 0 HB THR C 231 -1.514 -13.536 6.701 1.00 40.14 H new ATOM 0 HG1 THR C 231 0.324 -12.831 7.672 1.00 14.14 H new ATOM 0 HG21 THR C 231 0.095 -12.960 4.922 1.00 21.41 H new ATOM 0 HG22 THR C 231 -1.574 -12.631 4.402 1.00 21.41 H new ATOM 0 HG23 THR C 231 -0.518 -11.290 4.904 1.00 21.41 H new ATOM 2234 N PRO C 232 -3.649 -12.816 8.584 1.00 44.14 N ATOM 2235 CA PRO C 232 -4.102 -13.028 9.960 1.00 22.12 C ATOM 2236 C PRO C 232 -2.991 -13.577 10.868 1.00 62.22 C ATOM 2237 O PRO C 232 -3.262 -14.031 11.974 1.00 53.31 O ATOM 2238 CB PRO C 232 -5.211 -14.067 9.802 1.00 32.03 C ATOM 2239 CG PRO C 232 -4.807 -14.863 8.609 1.00 13.40 C ATOM 2240 CD PRO C 232 -4.110 -13.904 7.682 1.00 61.14 C ATOM 0 HA PRO C 232 -4.421 -12.098 10.431 1.00 22.12 H new ATOM 0 HB2 PRO C 232 -5.296 -14.695 10.689 1.00 32.03 H new ATOM 0 HB3 PRO C 232 -6.181 -13.593 9.653 1.00 32.03 H new ATOM 0 HG2 PRO C 232 -4.145 -15.681 8.893 1.00 13.40 H new ATOM 0 HG3 PRO C 232 -5.676 -15.309 8.126 1.00 13.40 H new ATOM 0 HD2 PRO C 232 -3.275 -14.379 7.168 1.00 61.14 H new ATOM 0 HD3 PRO C 232 -4.785 -13.528 6.913 1.00 61.14 H new ATOM 2248 N ASN C 233 -1.755 -13.521 10.403 1.00 53.32 N ATOM 2249 CA ASN C 233 -0.637 -14.058 11.172 1.00 61.14 C ATOM 2250 C ASN C 233 0.517 -13.044 11.256 1.00 52.32 C ATOM 2251 O ASN C 233 1.437 -13.205 12.051 1.00 44.53 O ATOM 2252 CB ASN C 233 -0.142 -15.355 10.527 1.00 31.15 C ATOM 2253 CG ASN C 233 0.926 -16.097 11.337 1.00 40.32 C ATOM 2254 OD1 ASN C 233 0.829 -16.066 12.649 1.00 25.35 O flip ATOM 2255 ND2 ASN C 233 1.811 -16.729 10.765 1.00 3.03 N flip ATOM 0 H ASN C 233 -1.497 -13.113 9.504 1.00 53.32 H new ATOM 0 HA ASN C 233 -0.985 -14.262 12.185 1.00 61.14 H new ATOM 0 HB2 ASN C 233 -0.993 -16.019 10.376 1.00 31.15 H new ATOM 0 HB3 ASN C 233 0.262 -15.125 9.541 1.00 31.15 H new ATOM 0 HD21 ASN C 233 1.858 -16.732 9.746 1.00 3.03 H new ATOM 0 HD22 ASN C 233 2.498 -17.250 11.309 1.00 3.03 H new ATOM 2262 N CYS C 234 0.458 -12.002 10.460 1.00 73.43 N ATOM 2263 CA CYS C 234 1.520 -11.016 10.447 1.00 64.25 C ATOM 2264 C CYS C 234 0.964 -9.625 10.695 1.00 3.21 C ATOM 2265 O CYS C 234 -0.161 -9.322 10.287 1.00 64.32 O ATOM 2266 CB CYS C 234 2.358 -11.107 9.150 1.00 23.41 C ATOM 2267 SG CYS C 234 3.277 -12.688 8.976 1.00 22.04 S ATOM 0 H CYS C 234 -0.309 -11.813 9.815 1.00 73.43 H new ATOM 0 HA CYS C 234 2.205 -11.234 11.266 1.00 64.25 H new ATOM 0 HB2 CYS C 234 1.698 -10.984 8.292 1.00 23.41 H new ATOM 0 HB3 CYS C 234 3.068 -10.280 9.127 1.00 23.41 H new ATOM 2272 N ALA C 235 1.765 -8.801 11.390 1.00 11.13 N ATOM 2273 CA ALA C 235 1.381 -7.459 11.865 1.00 11.31 C ATOM 2274 C ALA C 235 0.706 -6.620 10.793 1.00 42.20 C ATOM 2275 O ALA C 235 -0.455 -6.226 10.923 1.00 74.31 O ATOM 2276 CB ALA C 235 2.613 -6.739 12.393 1.00 62.24 C ATOM 0 H ALA C 235 2.720 -9.054 11.644 1.00 11.13 H new ATOM 0 HA ALA C 235 0.649 -7.594 12.661 1.00 11.31 H new ATOM 0 HB1 ALA C 235 2.332 -5.746 12.745 1.00 62.24 H new ATOM 0 HB2 ALA C 235 3.042 -7.308 13.218 1.00 62.24 H new ATOM 0 HB3 ALA C 235 3.350 -6.646 11.595 1.00 62.24 H new ATOM 2282 N CYS C 236 1.430 -6.344 9.777 1.00 14.21 N ATOM 2283 CA CYS C 236 0.972 -5.600 8.655 1.00 30.03 C ATOM 2284 C CYS C 236 1.987 -5.926 7.610 1.00 53.12 C ATOM 2285 O CYS C 236 3.175 -6.007 7.937 1.00 13.41 O ATOM 2286 CB CYS C 236 0.952 -4.086 8.993 1.00 64.21 C ATOM 2287 SG CYS C 236 0.093 -3.020 7.779 1.00 4.30 S ATOM 0 H CYS C 236 2.402 -6.641 9.695 1.00 14.21 H new ATOM 0 HA CYS C 236 -0.043 -5.841 8.340 1.00 30.03 H new ATOM 0 HB2 CYS C 236 0.478 -3.955 9.966 1.00 64.21 H new ATOM 0 HB3 CYS C 236 1.981 -3.740 9.091 1.00 64.21 H new ATOM 2292 N GLN C 237 1.593 -6.167 6.405 1.00 61.21 N ATOM 2293 CA GLN C 237 2.560 -6.663 5.476 1.00 20.35 C ATOM 2294 C GLN C 237 2.649 -5.774 4.259 1.00 60.33 C ATOM 2295 O GLN C 237 1.658 -5.569 3.554 1.00 21.33 O ATOM 2296 CB GLN C 237 2.199 -8.074 5.044 1.00 52.33 C ATOM 2297 CG GLN C 237 3.387 -8.925 4.658 1.00 22.53 C ATOM 2298 CD GLN C 237 4.114 -9.450 5.889 1.00 53.55 C ATOM 2299 OE1 GLN C 237 3.814 -10.534 6.366 1.00 42.11 O ATOM 2300 NE2 GLN C 237 5.012 -8.680 6.446 1.00 72.11 N ATOM 0 H GLN C 237 0.647 -6.037 6.046 1.00 61.21 H new ATOM 0 HA GLN C 237 3.529 -6.671 5.975 1.00 20.35 H new ATOM 0 HB2 GLN C 237 1.663 -8.565 5.856 1.00 52.33 H new ATOM 0 HB3 GLN C 237 1.515 -8.019 4.197 1.00 52.33 H new ATOM 0 HG2 GLN C 237 3.054 -9.762 4.045 1.00 22.53 H new ATOM 0 HG3 GLN C 237 4.075 -8.338 4.049 1.00 22.53 H new ATOM 0 HE21 GLN C 237 5.243 -7.780 6.026 1.00 72.11 H new ATOM 0 HE22 GLN C 237 5.482 -8.980 7.300 1.00 72.11 H new ATOM 2309 N ILE C 238 3.822 -5.246 4.021 1.00 4.51 N ATOM 2310 CA ILE C 238 4.074 -4.436 2.860 1.00 51.42 C ATOM 2311 C ILE C 238 4.870 -5.296 1.887 1.00 51.54 C ATOM 2312 O ILE C 238 5.759 -6.023 2.301 1.00 51.25 O ATOM 2313 CB ILE C 238 4.941 -3.189 3.219 1.00 21.13 C ATOM 2314 CG1 ILE C 238 4.330 -2.376 4.376 1.00 74.33 C ATOM 2315 CG2 ILE C 238 5.137 -2.296 1.996 1.00 15.43 C ATOM 2316 CD1 ILE C 238 2.983 -1.756 4.084 1.00 31.22 C ATOM 0 H ILE C 238 4.631 -5.367 4.630 1.00 4.51 H new ATOM 0 HA ILE C 238 3.128 -4.091 2.442 1.00 51.42 H new ATOM 0 HB ILE C 238 5.912 -3.559 3.549 1.00 21.13 H new ATOM 0 HG12 ILE C 238 4.232 -3.027 5.245 1.00 74.33 H new ATOM 0 HG13 ILE C 238 5.026 -1.583 4.649 1.00 74.33 H new ATOM 0 HG21 ILE C 238 5.744 -1.433 2.269 1.00 15.43 H new ATOM 0 HG22 ILE C 238 5.640 -2.860 1.211 1.00 15.43 H new ATOM 0 HG23 ILE C 238 4.166 -1.957 1.634 1.00 15.43 H new ATOM 0 HD11 ILE C 238 2.638 -1.206 4.959 1.00 31.22 H new ATOM 0 HD12 ILE C 238 3.072 -1.074 3.238 1.00 31.22 H new ATOM 0 HD13 ILE C 238 2.266 -2.541 3.843 1.00 31.22 H new ATOM 2328 N VAL C 239 4.530 -5.263 0.641 1.00 21.00 N ATOM 2329 CA VAL C 239 5.264 -5.989 -0.374 1.00 33.44 C ATOM 2330 C VAL C 239 5.651 -5.004 -1.473 1.00 22.03 C ATOM 2331 O VAL C 239 4.831 -4.181 -1.872 1.00 63.32 O ATOM 2332 CB VAL C 239 4.404 -7.126 -0.989 1.00 15.21 C ATOM 2333 CG1 VAL C 239 5.225 -7.947 -1.951 1.00 42.55 C ATOM 2334 CG2 VAL C 239 3.798 -8.017 0.091 1.00 51.21 C ATOM 0 H VAL C 239 3.734 -4.734 0.284 1.00 21.00 H new ATOM 0 HA VAL C 239 6.146 -6.442 0.080 1.00 33.44 H new ATOM 0 HB VAL C 239 3.583 -6.662 -1.535 1.00 15.21 H new ATOM 0 HG11 VAL C 239 4.607 -8.739 -2.373 1.00 42.55 H new ATOM 0 HG12 VAL C 239 5.592 -7.307 -2.754 1.00 42.55 H new ATOM 0 HG13 VAL C 239 6.070 -8.389 -1.423 1.00 42.55 H new ATOM 0 HG21 VAL C 239 3.203 -8.801 -0.376 1.00 51.21 H new ATOM 0 HG22 VAL C 239 4.596 -8.469 0.680 1.00 51.21 H new ATOM 0 HG23 VAL C 239 3.162 -7.418 0.742 1.00 51.21 H new ATOM 2344 N ALA C 240 6.870 -5.069 -1.959 1.00 4.21 N ATOM 2345 CA ALA C 240 7.317 -4.117 -2.952 1.00 21.32 C ATOM 2346 C ALA C 240 8.124 -4.767 -4.056 1.00 2.53 C ATOM 2347 O ALA C 240 8.959 -5.631 -3.819 1.00 74.24 O ATOM 2348 CB ALA C 240 8.128 -3.021 -2.296 1.00 72.15 C ATOM 0 H ALA C 240 7.565 -5.764 -1.686 1.00 4.21 H new ATOM 0 HA ALA C 240 6.425 -3.691 -3.411 1.00 21.32 H new ATOM 0 HB1 ALA C 240 8.459 -2.310 -3.053 1.00 72.15 H new ATOM 0 HB2 ALA C 240 7.513 -2.505 -1.558 1.00 72.15 H new ATOM 0 HB3 ALA C 240 8.997 -3.457 -1.803 1.00 72.15 H new ATOM 2354 N ARG C 241 7.884 -4.345 -5.261 1.00 25.20 N ATOM 2355 CA ARG C 241 8.655 -4.826 -6.373 1.00 11.52 C ATOM 2356 C ARG C 241 9.741 -3.865 -6.700 1.00 54.13 C ATOM 2357 O ARG C 241 9.477 -2.686 -6.943 1.00 64.41 O ATOM 2358 CB ARG C 241 7.821 -5.088 -7.628 1.00 70.14 C ATOM 2359 CG ARG C 241 6.961 -6.323 -7.575 1.00 23.25 C ATOM 2360 CD ARG C 241 6.427 -6.645 -8.951 1.00 5.23 C ATOM 2361 NE ARG C 241 5.803 -7.966 -9.018 1.00 4.15 N ATOM 2362 CZ ARG C 241 5.355 -8.533 -10.149 1.00 72.50 C ATOM 2363 NH1 ARG C 241 5.452 -7.885 -11.315 1.00 45.41 N ATOM 2364 NH2 ARG C 241 4.838 -9.747 -10.116 1.00 25.31 N ATOM 0 H ARG C 241 7.160 -3.668 -5.502 1.00 25.20 H new ATOM 0 HA ARG C 241 9.071 -5.783 -6.058 1.00 11.52 H new ATOM 0 HB2 ARG C 241 7.180 -4.225 -7.807 1.00 70.14 H new ATOM 0 HB3 ARG C 241 8.493 -5.168 -8.482 1.00 70.14 H new ATOM 0 HG2 ARG C 241 7.542 -7.164 -7.196 1.00 23.25 H new ATOM 0 HG3 ARG C 241 6.134 -6.170 -6.882 1.00 23.25 H new ATOM 0 HD2 ARG C 241 5.698 -5.888 -9.240 1.00 5.23 H new ATOM 0 HD3 ARG C 241 7.242 -6.595 -9.674 1.00 5.23 H new ATOM 0 HE ARG C 241 5.702 -8.490 -8.149 1.00 4.15 H new ATOM 0 HH11 ARG C 241 5.868 -6.954 -11.348 1.00 45.41 H new ATOM 0 HH12 ARG C 241 5.110 -8.321 -12.171 1.00 45.41 H new ATOM 0 HH21 ARG C 241 4.779 -10.253 -9.232 1.00 25.31 H new ATOM 0 HH22 ARG C 241 4.497 -10.180 -10.974 1.00 25.31 H new ATOM 2378 N LEU C 242 10.950 -4.356 -6.690 1.00 72.21 N ATOM 2379 CA LEU C 242 12.101 -3.572 -7.053 1.00 4.32 C ATOM 2380 C LEU C 242 12.138 -3.429 -8.550 1.00 33.20 C ATOM 2381 O LEU C 242 11.438 -4.172 -9.268 1.00 24.52 O ATOM 2382 CB LEU C 242 13.392 -4.280 -6.607 1.00 74.14 C ATOM 2383 CG LEU C 242 13.566 -4.539 -5.112 1.00 13.44 C ATOM 2384 CD1 LEU C 242 14.858 -5.300 -4.865 1.00 43.22 C ATOM 2385 CD2 LEU C 242 13.576 -3.240 -4.341 1.00 4.22 C ATOM 0 H LEU C 242 11.167 -5.318 -6.428 1.00 72.21 H new ATOM 0 HA LEU C 242 12.033 -2.598 -6.568 1.00 4.32 H new ATOM 0 HB2 LEU C 242 13.448 -5.238 -7.124 1.00 74.14 H new ATOM 0 HB3 LEU C 242 14.239 -3.684 -6.947 1.00 74.14 H new ATOM 0 HG LEU C 242 12.724 -5.138 -4.765 1.00 13.44 H new ATOM 0 HD11 LEU C 242 14.975 -5.481 -3.797 1.00 43.22 H new ATOM 0 HD12 LEU C 242 14.826 -6.253 -5.393 1.00 43.22 H new ATOM 0 HD13 LEU C 242 15.701 -4.713 -5.228 1.00 43.22 H new ATOM 0 HD21 LEU C 242 13.701 -3.449 -3.278 1.00 4.22 H new ATOM 0 HD22 LEU C 242 14.401 -2.617 -4.688 1.00 4.22 H new ATOM 0 HD23 LEU C 242 12.634 -2.716 -4.499 1.00 4.22 H new ATOM 2397 N LYS C 243 12.905 -2.478 -9.035 1.00 14.34 N ATOM 2398 CA LYS C 243 13.143 -2.397 -10.449 1.00 4.24 C ATOM 2399 C LYS C 243 13.810 -3.699 -10.900 1.00 31.13 C ATOM 2400 O LYS C 243 14.748 -4.175 -10.245 1.00 14.43 O ATOM 2401 CB LYS C 243 13.959 -1.144 -10.855 1.00 44.33 C ATOM 2402 CG LYS C 243 13.161 0.179 -10.974 1.00 3.33 C ATOM 2403 CD LYS C 243 12.757 0.835 -9.673 1.00 44.40 C ATOM 2404 CE LYS C 243 12.038 2.149 -10.002 1.00 61.15 C ATOM 2405 NZ LYS C 243 11.710 2.958 -8.820 1.00 42.41 N ATOM 0 H LYS C 243 13.367 -1.761 -8.476 1.00 14.34 H new ATOM 0 HA LYS C 243 12.188 -2.279 -10.962 1.00 4.24 H new ATOM 0 HB2 LYS C 243 14.754 -1.001 -10.124 1.00 44.33 H new ATOM 0 HB3 LYS C 243 14.439 -1.343 -11.813 1.00 44.33 H new ATOM 0 HG2 LYS C 243 13.759 0.890 -11.545 1.00 3.33 H new ATOM 0 HG3 LYS C 243 12.259 -0.016 -11.554 1.00 3.33 H new ATOM 0 HD2 LYS C 243 12.103 0.176 -9.102 1.00 44.40 H new ATOM 0 HD3 LYS C 243 13.634 1.026 -9.055 1.00 44.40 H new ATOM 0 HE2 LYS C 243 12.665 2.738 -10.671 1.00 61.15 H new ATOM 0 HE3 LYS C 243 11.119 1.924 -10.543 1.00 61.15 H new ATOM 0 HZ1 LYS C 243 11.257 3.845 -9.121 1.00 42.41 H new ATOM 0 HZ2 LYS C 243 11.059 2.428 -8.206 1.00 42.41 H new ATOM 0 HZ3 LYS C 243 12.581 3.175 -8.295 1.00 42.41 H new ATOM 2461 N ARG C 247 14.859 -8.875 -7.428 1.00 32.23 N ATOM 2462 CA ARG C 247 13.667 -9.661 -7.217 1.00 42.22 C ATOM 2463 C ARG C 247 12.652 -8.824 -6.478 1.00 42.30 C ATOM 2464 O ARG C 247 12.863 -7.624 -6.304 1.00 40.51 O ATOM 2465 CB ARG C 247 13.983 -11.044 -6.513 1.00 4.34 C ATOM 2466 CG ARG C 247 14.813 -11.035 -5.199 1.00 2.52 C ATOM 2467 CD ARG C 247 14.083 -10.425 -4.020 1.00 15.13 C ATOM 2468 NE ARG C 247 14.842 -10.540 -2.761 1.00 74.10 N ATOM 2469 CZ ARG C 247 14.298 -10.431 -1.531 1.00 4.14 C ATOM 2470 NH1 ARG C 247 12.979 -10.301 -1.383 1.00 63.21 N ATOM 2471 NH2 ARG C 247 15.059 -10.483 -0.450 1.00 34.02 N ATOM 0 HA ARG C 247 13.236 -9.937 -8.179 1.00 42.22 H new ATOM 0 HB2 ARG C 247 13.032 -11.533 -6.301 1.00 4.34 H new ATOM 0 HB3 ARG C 247 14.510 -11.670 -7.233 1.00 4.34 H new ATOM 0 HG2 ARG C 247 15.094 -12.058 -4.951 1.00 2.52 H new ATOM 0 HG3 ARG C 247 15.737 -10.483 -5.368 1.00 2.52 H new ATOM 0 HD2 ARG C 247 13.884 -9.373 -4.225 1.00 15.13 H new ATOM 0 HD3 ARG C 247 13.116 -10.915 -3.903 1.00 15.13 H new ATOM 0 HE ARG C 247 15.845 -10.714 -2.824 1.00 74.10 H new ATOM 0 HH11 ARG C 247 12.373 -10.283 -2.203 1.00 63.21 H new ATOM 0 HH12 ARG C 247 12.576 -10.219 -0.449 1.00 63.21 H new ATOM 0 HH21 ARG C 247 16.067 -10.607 -0.542 1.00 34.02 H new ATOM 0 HH22 ARG C 247 14.637 -10.400 0.475 1.00 34.02 H new ATOM 2485 N GLN C 248 11.596 -9.427 -6.045 1.00 61.04 N ATOM 2486 CA GLN C 248 10.567 -8.722 -5.337 1.00 74.12 C ATOM 2487 C GLN C 248 10.794 -8.889 -3.863 1.00 24.42 C ATOM 2488 O GLN C 248 11.075 -9.995 -3.386 1.00 42.33 O ATOM 2489 CB GLN C 248 9.207 -9.268 -5.747 1.00 40.42 C ATOM 2490 CG GLN C 248 8.038 -8.773 -4.927 1.00 72.10 C ATOM 2491 CD GLN C 248 6.730 -9.307 -5.436 1.00 21.35 C ATOM 2492 OE1 GLN C 248 6.552 -9.525 -6.628 1.00 32.40 O ATOM 2493 NE2 GLN C 248 5.827 -9.564 -4.550 1.00 2.01 N ATOM 0 H GLN C 248 11.417 -10.423 -6.169 1.00 61.04 H new ATOM 0 HA GLN C 248 10.595 -7.660 -5.579 1.00 74.12 H new ATOM 0 HB2 GLN C 248 9.031 -9.012 -6.792 1.00 40.42 H new ATOM 0 HB3 GLN C 248 9.237 -10.356 -5.686 1.00 40.42 H new ATOM 0 HG2 GLN C 248 8.172 -9.071 -3.887 1.00 72.10 H new ATOM 0 HG3 GLN C 248 8.017 -7.683 -4.946 1.00 72.10 H new ATOM 0 HE21 GLN C 248 6.009 -9.370 -3.565 1.00 2.01 H new ATOM 0 HE22 GLN C 248 4.932 -9.961 -4.835 1.00 2.01 H new ATOM 2502 N VAL C 249 10.708 -7.804 -3.148 1.00 74.13 N ATOM 2503 CA VAL C 249 11.009 -7.811 -1.755 1.00 43.21 C ATOM 2504 C VAL C 249 9.779 -7.546 -0.938 1.00 23.32 C ATOM 2505 O VAL C 249 8.800 -6.966 -1.411 1.00 14.22 O ATOM 2506 CB VAL C 249 12.142 -6.799 -1.364 1.00 40.54 C ATOM 2507 CG1 VAL C 249 13.437 -7.113 -2.087 1.00 41.15 C ATOM 2508 CG2 VAL C 249 11.741 -5.362 -1.623 1.00 21.34 C ATOM 0 H VAL C 249 10.428 -6.895 -3.517 1.00 74.13 H new ATOM 0 HA VAL C 249 11.382 -8.811 -1.533 1.00 43.21 H new ATOM 0 HB VAL C 249 12.301 -6.915 -0.292 1.00 40.54 H new ATOM 0 HG11 VAL C 249 14.201 -6.393 -1.794 1.00 41.15 H new ATOM 0 HG12 VAL C 249 13.766 -8.119 -1.824 1.00 41.15 H new ATOM 0 HG13 VAL C 249 13.276 -7.053 -3.163 1.00 41.15 H new ATOM 0 HG21 VAL C 249 12.558 -4.699 -1.337 1.00 21.34 H new ATOM 0 HG22 VAL C 249 11.522 -5.231 -2.683 1.00 21.34 H new ATOM 0 HG23 VAL C 249 10.855 -5.120 -1.036 1.00 21.34 H new ATOM 2518 N CYS C 250 9.812 -7.979 0.242 1.00 23.24 N ATOM 2519 CA CYS C 250 8.760 -7.756 1.145 1.00 13.21 C ATOM 2520 C CYS C 250 9.238 -6.705 2.093 1.00 35.32 C ATOM 2521 O CYS C 250 10.381 -6.692 2.435 1.00 13.30 O ATOM 2522 CB CYS C 250 8.412 -9.053 1.824 1.00 73.54 C ATOM 2523 SG CYS C 250 7.901 -10.341 0.631 1.00 51.52 S ATOM 0 H CYS C 250 10.589 -8.515 0.628 1.00 23.24 H new ATOM 0 HA CYS C 250 7.846 -7.410 0.662 1.00 13.21 H new ATOM 0 HB2 CYS C 250 9.273 -9.407 2.391 1.00 73.54 H new ATOM 0 HB3 CYS C 250 7.607 -8.882 2.539 1.00 73.54 H new ATOM 2528 N ILE C 251 8.397 -5.820 2.490 1.00 74.23 N ATOM 2529 CA ILE C 251 8.847 -4.670 3.226 1.00 22.04 C ATOM 2530 C ILE C 251 8.269 -4.609 4.643 1.00 72.14 C ATOM 2531 O ILE C 251 7.093 -4.947 4.880 1.00 52.54 O ATOM 2532 CB ILE C 251 8.518 -3.363 2.430 1.00 11.54 C ATOM 2533 CG1 ILE C 251 9.203 -3.366 1.057 1.00 41.10 C ATOM 2534 CG2 ILE C 251 8.929 -2.133 3.193 1.00 63.11 C ATOM 2535 CD1 ILE C 251 10.719 -3.414 1.120 1.00 42.21 C ATOM 0 H ILE C 251 7.391 -5.860 2.323 1.00 74.23 H new ATOM 0 HA ILE C 251 9.927 -4.760 3.340 1.00 22.04 H new ATOM 0 HB ILE C 251 7.437 -3.340 2.290 1.00 11.54 H new ATOM 0 HG12 ILE C 251 8.847 -4.224 0.487 1.00 41.10 H new ATOM 0 HG13 ILE C 251 8.901 -2.473 0.510 1.00 41.10 H new ATOM 0 HG21 ILE C 251 8.685 -1.245 2.610 1.00 63.11 H new ATOM 0 HG22 ILE C 251 8.397 -2.100 4.144 1.00 63.11 H new ATOM 0 HG23 ILE C 251 10.003 -2.162 3.379 1.00 63.11 H new ATOM 0 HD11 ILE C 251 11.125 -3.413 0.109 1.00 42.21 H new ATOM 0 HD12 ILE C 251 11.088 -2.542 1.660 1.00 42.21 H new ATOM 0 HD13 ILE C 251 11.033 -4.321 1.636 1.00 42.21 H new ATOM 2547 N ASP C 252 9.124 -4.208 5.569 1.00 2.23 N ATOM 2548 CA ASP C 252 8.775 -3.988 6.960 1.00 13.25 C ATOM 2549 C ASP C 252 7.929 -2.697 7.046 1.00 74.54 C ATOM 2550 O ASP C 252 8.371 -1.634 6.616 1.00 21.13 O ATOM 2551 CB ASP C 252 10.092 -3.826 7.775 1.00 21.54 C ATOM 2552 CG ASP C 252 9.910 -3.689 9.279 1.00 72.04 C ATOM 2553 OD1 ASP C 252 8.962 -3.038 9.721 1.00 14.01 O ATOM 2554 OD2 ASP C 252 10.744 -4.222 10.045 1.00 21.32 O ATOM 0 H ASP C 252 10.106 -4.022 5.367 1.00 2.23 H new ATOM 0 HA ASP C 252 8.203 -4.824 7.363 1.00 13.25 H new ATOM 0 HB2 ASP C 252 10.730 -4.688 7.579 1.00 21.54 H new ATOM 0 HB3 ASP C 252 10.622 -2.947 7.408 1.00 21.54 H new ATOM 2559 N PRO C 253 6.702 -2.769 7.589 1.00 14.22 N ATOM 2560 CA PRO C 253 5.799 -1.599 7.688 1.00 60.33 C ATOM 2561 C PRO C 253 6.226 -0.590 8.769 1.00 44.42 C ATOM 2562 O PRO C 253 5.593 0.443 8.961 1.00 1.43 O ATOM 2563 CB PRO C 253 4.456 -2.229 8.064 1.00 62.30 C ATOM 2564 CG PRO C 253 4.816 -3.488 8.774 1.00 4.21 C ATOM 2565 CD PRO C 253 6.088 -3.989 8.141 1.00 4.04 C ATOM 0 HA PRO C 253 5.789 -1.025 6.761 1.00 60.33 H new ATOM 0 HB2 PRO C 253 3.873 -1.566 8.703 1.00 62.30 H new ATOM 0 HB3 PRO C 253 3.852 -2.432 7.180 1.00 62.30 H new ATOM 0 HG2 PRO C 253 4.959 -3.305 9.839 1.00 4.21 H new ATOM 0 HG3 PRO C 253 4.020 -4.227 8.681 1.00 4.21 H new ATOM 0 HD2 PRO C 253 6.738 -4.470 8.872 1.00 4.04 H new ATOM 0 HD3 PRO C 253 5.886 -4.724 7.362 1.00 4.04 H new ATOM 2573 N LYS C 254 7.284 -0.905 9.452 1.00 11.33 N ATOM 2574 CA LYS C 254 7.779 -0.103 10.535 1.00 13.21 C ATOM 2575 C LYS C 254 9.057 0.653 10.137 1.00 23.34 C ATOM 2576 O LYS C 254 9.717 1.272 10.974 1.00 32.34 O ATOM 2577 CB LYS C 254 8.016 -1.029 11.717 1.00 30.22 C ATOM 2578 CG LYS C 254 6.745 -1.646 12.259 1.00 0.41 C ATOM 2579 CD LYS C 254 7.016 -2.630 13.392 1.00 52.02 C ATOM 2580 CE LYS C 254 7.544 -3.985 12.912 1.00 40.11 C ATOM 2581 NZ LYS C 254 8.831 -3.958 12.177 1.00 3.14 N ATOM 0 H LYS C 254 7.839 -1.741 9.271 1.00 11.33 H new ATOM 0 HA LYS C 254 7.051 0.663 10.802 1.00 13.21 H new ATOM 0 HB2 LYS C 254 8.698 -1.824 11.415 1.00 30.22 H new ATOM 0 HB3 LYS C 254 8.509 -0.471 12.513 1.00 30.22 H new ATOM 0 HG2 LYS C 254 6.085 -0.856 12.617 1.00 0.41 H new ATOM 0 HG3 LYS C 254 6.221 -2.159 11.453 1.00 0.41 H new ATOM 0 HD2 LYS C 254 7.739 -2.190 14.079 1.00 52.02 H new ATOM 0 HD3 LYS C 254 6.096 -2.786 13.955 1.00 52.02 H new ATOM 0 HE2 LYS C 254 7.657 -4.636 13.779 1.00 40.11 H new ATOM 0 HE3 LYS C 254 6.790 -4.439 12.268 1.00 40.11 H new ATOM 0 HZ1 LYS C 254 9.203 -4.925 12.093 1.00 3.14 H new ATOM 0 HZ2 LYS C 254 8.680 -3.561 11.228 1.00 3.14 H new ATOM 0 HZ3 LYS C 254 9.514 -3.368 12.694 1.00 3.14 H new ATOM 2595 N LEU C 255 9.401 0.587 8.853 1.00 51.04 N ATOM 2596 CA LEU C 255 10.544 1.303 8.311 1.00 11.31 C ATOM 2597 C LEU C 255 10.364 2.799 8.322 1.00 14.34 C ATOM 2598 O LEU C 255 9.252 3.301 8.223 1.00 61.40 O ATOM 2599 CB LEU C 255 10.777 0.870 6.901 1.00 55.53 C ATOM 2600 CG LEU C 255 11.244 -0.531 6.731 1.00 42.34 C ATOM 2601 CD1 LEU C 255 11.271 -0.891 5.277 1.00 31.10 C ATOM 2602 CD2 LEU C 255 12.609 -0.684 7.327 1.00 13.34 C ATOM 0 H LEU C 255 8.893 0.035 8.162 1.00 51.04 H new ATOM 0 HA LEU C 255 11.394 1.065 8.950 1.00 11.31 H new ATOM 0 HB2 LEU C 255 9.849 0.996 6.343 1.00 55.53 H new ATOM 0 HB3 LEU C 255 11.513 1.537 6.451 1.00 55.53 H new ATOM 0 HG LEU C 255 10.555 -1.202 7.244 1.00 42.34 H new ATOM 0 HD11 LEU C 255 11.614 -1.919 5.163 1.00 31.10 H new ATOM 0 HD12 LEU C 255 10.269 -0.795 4.860 1.00 31.10 H new ATOM 0 HD13 LEU C 255 11.950 -0.221 4.749 1.00 31.10 H new ATOM 0 HD21 LEU C 255 12.948 -1.712 7.201 1.00 13.34 H new ATOM 0 HD22 LEU C 255 13.303 -0.009 6.826 1.00 13.34 H new ATOM 0 HD23 LEU C 255 12.571 -0.442 8.389 1.00 13.34 H new ATOM 2614 N LYS C 256 11.493 3.504 8.386 1.00 60.32 N ATOM 2615 CA LYS C 256 11.535 4.964 8.381 1.00 15.33 C ATOM 2616 C LYS C 256 10.834 5.487 7.138 1.00 62.30 C ATOM 2617 O LYS C 256 9.937 6.310 7.232 1.00 63.40 O ATOM 2618 CB LYS C 256 13.022 5.432 8.421 1.00 21.15 C ATOM 2619 CG LYS C 256 13.301 6.953 8.552 1.00 4.24 C ATOM 2620 CD LYS C 256 12.878 7.777 7.340 1.00 30.52 C ATOM 2621 CE LYS C 256 13.281 9.230 7.496 1.00 25.24 C ATOM 2622 NZ LYS C 256 14.752 9.376 7.580 1.00 10.33 N ATOM 0 H LYS C 256 12.415 3.071 8.443 1.00 60.32 H new ATOM 0 HA LYS C 256 11.020 5.359 9.257 1.00 15.33 H new ATOM 0 HB2 LYS C 256 13.508 4.930 9.257 1.00 21.15 H new ATOM 0 HB3 LYS C 256 13.508 5.080 7.511 1.00 21.15 H new ATOM 0 HG2 LYS C 256 12.781 7.331 9.433 1.00 4.24 H new ATOM 0 HG3 LYS C 256 14.367 7.101 8.723 1.00 4.24 H new ATOM 0 HD2 LYS C 256 13.334 7.365 6.440 1.00 30.52 H new ATOM 0 HD3 LYS C 256 11.798 7.709 7.210 1.00 30.52 H new ATOM 0 HE2 LYS C 256 12.904 9.806 6.651 1.00 25.24 H new ATOM 0 HE3 LYS C 256 12.821 9.642 8.394 1.00 25.24 H new ATOM 0 HZ1 LYS C 256 15.014 10.366 7.397 1.00 10.33 H new ATOM 0 HZ2 LYS C 256 15.074 9.102 8.530 1.00 10.33 H new ATOM 0 HZ3 LYS C 256 15.203 8.763 6.871 1.00 10.33 H new ATOM 2636 N TRP C 257 11.229 4.986 5.977 1.00 63.40 N ATOM 2637 CA TRP C 257 10.640 5.445 4.734 1.00 25.34 C ATOM 2638 C TRP C 257 9.173 5.065 4.617 1.00 2.02 C ATOM 2639 O TRP C 257 8.406 5.754 3.968 1.00 52.22 O ATOM 2640 CB TRP C 257 11.465 5.048 3.497 1.00 64.24 C ATOM 2641 CG TRP C 257 11.718 3.579 3.314 1.00 50.44 C ATOM 2642 CD1 TRP C 257 12.671 2.823 3.934 1.00 41.53 C ATOM 2643 CD2 TRP C 257 11.036 2.700 2.411 1.00 4.15 C ATOM 2644 NE1 TRP C 257 12.616 1.536 3.475 1.00 4.23 N ATOM 2645 CE2 TRP C 257 11.625 1.434 2.538 1.00 2.32 C ATOM 2646 CE3 TRP C 257 9.984 2.864 1.510 1.00 51.02 C ATOM 2647 CZ2 TRP C 257 11.202 0.341 1.798 1.00 12.13 C ATOM 2648 CZ3 TRP C 257 9.565 1.776 0.774 1.00 54.30 C ATOM 2649 CH2 TRP C 257 10.175 0.528 0.920 1.00 42.05 C ATOM 0 H TRP C 257 11.947 4.269 5.872 1.00 63.40 H new ATOM 0 HA TRP C 257 10.670 6.534 4.765 1.00 25.34 H new ATOM 0 HB2 TRP C 257 10.954 5.421 2.610 1.00 64.24 H new ATOM 0 HB3 TRP C 257 12.427 5.558 3.548 1.00 64.24 H new ATOM 0 HD1 TRP C 257 13.365 3.187 4.677 1.00 41.53 H new ATOM 0 HE1 TRP C 257 13.219 0.773 3.783 1.00 4.23 H new ATOM 0 HE3 TRP C 257 9.506 3.825 1.391 1.00 51.02 H new ATOM 0 HZ2 TRP C 257 11.670 -0.626 1.913 1.00 12.13 H new ATOM 0 HZ3 TRP C 257 8.752 1.891 0.073 1.00 54.30 H new ATOM 0 HH2 TRP C 257 9.827 -0.305 0.327 1.00 42.05 H new ATOM 2660 N ILE C 258 8.784 3.978 5.272 1.00 75.21 N ATOM 2661 CA ILE C 258 7.388 3.600 5.308 1.00 43.13 C ATOM 2662 C ILE C 258 6.613 4.579 6.185 1.00 73.43 C ATOM 2663 O ILE C 258 5.521 5.006 5.814 1.00 64.22 O ATOM 2664 CB ILE C 258 7.164 2.131 5.789 1.00 31.13 C ATOM 2665 CG1 ILE C 258 7.758 1.129 4.790 1.00 13.50 C ATOM 2666 CG2 ILE C 258 5.681 1.842 5.997 1.00 62.22 C ATOM 2667 CD1 ILE C 258 7.148 1.203 3.408 1.00 20.14 C ATOM 0 H ILE C 258 9.412 3.353 5.778 1.00 75.21 H new ATOM 0 HA ILE C 258 7.014 3.645 4.285 1.00 43.13 H new ATOM 0 HB ILE C 258 7.677 2.017 6.744 1.00 31.13 H new ATOM 0 HG12 ILE C 258 8.831 1.302 4.712 1.00 13.50 H new ATOM 0 HG13 ILE C 258 7.626 0.120 5.181 1.00 13.50 H new ATOM 0 HG21 ILE C 258 5.554 0.812 6.332 1.00 62.22 H new ATOM 0 HG22 ILE C 258 5.280 2.520 6.750 1.00 62.22 H new ATOM 0 HG23 ILE C 258 5.147 1.986 5.058 1.00 62.22 H new ATOM 0 HD11 ILE C 258 7.621 0.464 2.761 1.00 20.14 H new ATOM 0 HD12 ILE C 258 6.079 0.999 3.471 1.00 20.14 H new ATOM 0 HD13 ILE C 258 7.304 2.199 2.995 1.00 20.14 H new ATOM 2679 N GLN C 259 7.211 4.964 7.335 1.00 60.52 N ATOM 2680 CA GLN C 259 6.577 5.926 8.247 1.00 41.43 C ATOM 2681 C GLN C 259 6.268 7.184 7.483 1.00 12.44 C ATOM 2682 O GLN C 259 5.135 7.629 7.439 1.00 24.55 O ATOM 2683 CB GLN C 259 7.522 6.355 9.396 1.00 31.04 C ATOM 2684 CG GLN C 259 8.210 5.275 10.245 1.00 0.14 C ATOM 2685 CD GLN C 259 7.304 4.320 11.005 1.00 21.13 C ATOM 2686 OE1 GLN C 259 6.220 3.899 10.429 1.00 63.23 O flip ATOM 2687 NE2 GLN C 259 7.657 3.902 12.093 1.00 15.25 N flip ATOM 0 H GLN C 259 8.121 4.624 7.646 1.00 60.52 H new ATOM 0 HA GLN C 259 5.691 5.440 8.656 1.00 41.43 H new ATOM 0 HB2 GLN C 259 8.304 6.978 8.962 1.00 31.04 H new ATOM 0 HB3 GLN C 259 6.949 6.988 10.073 1.00 31.04 H new ATOM 0 HG2 GLN C 259 8.852 4.686 9.590 1.00 0.14 H new ATOM 0 HG3 GLN C 259 8.860 5.772 10.965 1.00 0.14 H new ATOM 0 HE21 GLN C 259 8.514 4.252 12.520 1.00 15.25 H new ATOM 0 HE22 GLN C 259 7.095 3.201 12.577 1.00 15.25 H new ATOM 2696 N GLU C 260 7.285 7.688 6.825 1.00 0.13 N ATOM 2697 CA GLU C 260 7.219 8.914 6.074 1.00 2.42 C ATOM 2698 C GLU C 260 6.212 8.830 4.946 1.00 15.52 C ATOM 2699 O GLU C 260 5.432 9.758 4.725 1.00 51.41 O ATOM 2700 CB GLU C 260 8.609 9.231 5.528 1.00 4.22 C ATOM 2701 CG GLU C 260 9.636 9.484 6.617 1.00 2.45 C ATOM 2702 CD GLU C 260 9.316 10.723 7.403 1.00 33.23 C ATOM 2703 OE1 GLU C 260 8.559 10.642 8.378 1.00 41.13 O ATOM 2704 OE2 GLU C 260 9.804 11.805 7.020 1.00 71.13 O ATOM 0 H GLU C 260 8.203 7.244 6.798 1.00 0.13 H new ATOM 0 HA GLU C 260 6.886 9.713 6.737 1.00 2.42 H new ATOM 0 HB2 GLU C 260 8.946 8.402 4.906 1.00 4.22 H new ATOM 0 HB3 GLU C 260 8.548 10.108 4.884 1.00 4.22 H new ATOM 0 HG2 GLU C 260 9.674 8.626 7.289 1.00 2.45 H new ATOM 0 HG3 GLU C 260 10.625 9.582 6.169 1.00 2.45 H new ATOM 2711 N TYR C 261 6.206 7.714 4.258 1.00 71.23 N ATOM 2712 CA TYR C 261 5.360 7.543 3.111 1.00 31.51 C ATOM 2713 C TYR C 261 3.881 7.462 3.528 1.00 41.54 C ATOM 2714 O TYR C 261 3.027 8.177 2.969 1.00 35.14 O ATOM 2715 CB TYR C 261 5.775 6.302 2.333 1.00 61.54 C ATOM 2716 CG TYR C 261 5.264 6.288 0.927 1.00 25.24 C ATOM 2717 CD1 TYR C 261 6.009 6.882 -0.078 1.00 60.14 C ATOM 2718 CD2 TYR C 261 4.055 5.706 0.597 1.00 22.55 C ATOM 2719 CE1 TYR C 261 5.574 6.898 -1.371 1.00 12.13 C ATOM 2720 CE2 TYR C 261 3.604 5.715 -0.700 1.00 73.52 C ATOM 2721 CZ TYR C 261 4.362 6.312 -1.684 1.00 42.04 C ATOM 2722 OH TYR C 261 3.912 6.323 -2.981 1.00 33.53 O ATOM 0 H TYR C 261 6.786 6.905 4.479 1.00 71.23 H new ATOM 0 HA TYR C 261 5.475 8.412 2.463 1.00 31.51 H new ATOM 0 HB2 TYR C 261 6.863 6.238 2.318 1.00 61.54 H new ATOM 0 HB3 TYR C 261 5.411 5.416 2.854 1.00 61.54 H new ATOM 0 HD1 TYR C 261 6.955 7.342 0.167 1.00 60.14 H new ATOM 0 HD2 TYR C 261 3.459 5.239 1.367 1.00 22.55 H new ATOM 0 HE1 TYR C 261 6.170 7.364 -2.142 1.00 12.13 H new ATOM 0 HE2 TYR C 261 2.658 5.256 -0.948 1.00 73.52 H new ATOM 0 HH TYR C 261 3.045 5.869 -3.030 1.00 33.53 H new ATOM 2732 N LEU C 262 3.585 6.611 4.515 1.00 54.21 N ATOM 2733 CA LEU C 262 2.215 6.452 5.018 1.00 71.21 C ATOM 2734 C LEU C 262 1.715 7.765 5.583 1.00 4.15 C ATOM 2735 O LEU C 262 0.629 8.214 5.248 1.00 73.13 O ATOM 2736 CB LEU C 262 2.138 5.394 6.129 1.00 64.42 C ATOM 2737 CG LEU C 262 2.615 3.987 5.792 1.00 0.00 C ATOM 2738 CD1 LEU C 262 2.471 3.082 7.008 1.00 43.12 C ATOM 2739 CD2 LEU C 262 1.856 3.411 4.612 1.00 23.43 C ATOM 0 H LEU C 262 4.274 6.022 4.982 1.00 54.21 H new ATOM 0 HA LEU C 262 1.599 6.132 4.178 1.00 71.21 H new ATOM 0 HB2 LEU C 262 2.721 5.753 6.977 1.00 64.42 H new ATOM 0 HB3 LEU C 262 1.102 5.328 6.460 1.00 64.42 H new ATOM 0 HG LEU C 262 3.667 4.046 5.512 1.00 0.00 H new ATOM 0 HD11 LEU C 262 2.814 2.078 6.757 1.00 43.12 H new ATOM 0 HD12 LEU C 262 3.071 3.476 7.828 1.00 43.12 H new ATOM 0 HD13 LEU C 262 1.424 3.042 7.310 1.00 43.12 H new ATOM 0 HD21 LEU C 262 2.222 2.407 4.399 1.00 23.43 H new ATOM 0 HD22 LEU C 262 0.793 3.367 4.849 1.00 23.43 H new ATOM 0 HD23 LEU C 262 2.007 4.045 3.738 1.00 23.43 H new ATOM 2751 N GLU C 263 2.528 8.369 6.433 1.00 11.22 N ATOM 2752 CA GLU C 263 2.212 9.604 7.080 1.00 11.32 C ATOM 2753 C GLU C 263 1.931 10.724 6.055 1.00 44.33 C ATOM 2754 O GLU C 263 0.969 11.487 6.220 1.00 42.44 O ATOM 2755 CB GLU C 263 3.356 9.916 8.053 1.00 11.03 C ATOM 2756 CG GLU C 263 3.177 11.063 9.006 1.00 41.42 C ATOM 2757 CD GLU C 263 3.429 12.427 8.417 1.00 73.30 C ATOM 2758 OE1 GLU C 263 4.599 12.758 8.163 1.00 21.33 O ATOM 2759 OE2 GLU C 263 2.469 13.198 8.223 1.00 62.40 O ATOM 0 H GLU C 263 3.442 7.996 6.689 1.00 11.22 H new ATOM 0 HA GLU C 263 1.286 9.527 7.649 1.00 11.32 H new ATOM 0 HB2 GLU C 263 3.548 9.019 8.642 1.00 11.03 H new ATOM 0 HB3 GLU C 263 4.253 10.108 7.464 1.00 11.03 H new ATOM 0 HG2 GLU C 263 2.160 11.035 9.397 1.00 41.42 H new ATOM 0 HG3 GLU C 263 3.848 10.920 9.853 1.00 41.42 H new ATOM 2766 N LYS C 264 2.716 10.803 4.974 1.00 43.14 N ATOM 2767 CA LYS C 264 2.460 11.838 4.001 1.00 41.21 C ATOM 2768 C LYS C 264 1.155 11.590 3.218 1.00 62.12 C ATOM 2769 O LYS C 264 0.370 12.492 3.045 1.00 64.03 O ATOM 2770 CB LYS C 264 3.713 12.186 3.125 1.00 64.31 C ATOM 2771 CG LYS C 264 4.267 11.121 2.150 1.00 74.44 C ATOM 2772 CD LYS C 264 3.427 10.946 0.888 1.00 71.11 C ATOM 2773 CE LYS C 264 3.345 12.233 0.079 1.00 63.11 C ATOM 2774 NZ LYS C 264 4.676 12.715 -0.395 1.00 12.55 N ATOM 0 H LYS C 264 3.500 10.184 4.767 1.00 43.14 H new ATOM 0 HA LYS C 264 2.277 12.760 4.553 1.00 41.21 H new ATOM 0 HB2 LYS C 264 3.469 13.072 2.540 1.00 64.31 H new ATOM 0 HB3 LYS C 264 4.521 12.464 3.802 1.00 64.31 H new ATOM 0 HG2 LYS C 264 5.282 11.396 1.864 1.00 74.44 H new ATOM 0 HG3 LYS C 264 4.330 10.165 2.669 1.00 74.44 H new ATOM 0 HD2 LYS C 264 3.857 10.156 0.272 1.00 71.11 H new ATOM 0 HD3 LYS C 264 2.422 10.625 1.162 1.00 71.11 H new ATOM 0 HE2 LYS C 264 2.696 12.073 -0.782 1.00 63.11 H new ATOM 0 HE3 LYS C 264 2.881 13.009 0.688 1.00 63.11 H new ATOM 0 HZ1 LYS C 264 4.544 13.513 -1.049 1.00 12.55 H new ATOM 0 HZ2 LYS C 264 5.243 13.025 0.420 1.00 12.55 H new ATOM 0 HZ3 LYS C 264 5.170 11.943 -0.886 1.00 12.55 H new ATOM 2788 N CYS C 265 0.926 10.357 2.788 1.00 64.23 N ATOM 2789 CA CYS C 265 -0.331 9.955 2.144 1.00 5.41 C ATOM 2790 C CYS C 265 -1.545 9.937 3.103 1.00 52.21 C ATOM 2791 O CYS C 265 -2.664 9.793 2.652 1.00 31.04 O ATOM 2792 CB CYS C 265 -0.206 8.592 1.419 1.00 21.43 C ATOM 2793 SG CYS C 265 0.905 8.590 -0.037 1.00 62.11 S ATOM 0 H CYS C 265 1.604 9.600 2.873 1.00 64.23 H new ATOM 0 HA CYS C 265 -0.522 10.731 1.403 1.00 5.41 H new ATOM 0 HB2 CYS C 265 0.153 7.850 2.132 1.00 21.43 H new ATOM 0 HB3 CYS C 265 -1.199 8.274 1.100 1.00 21.43 H new ATOM 2798 N LEU C 266 -1.322 10.081 4.409 1.00 2.42 N ATOM 2799 CA LEU C 266 -2.413 10.124 5.361 1.00 62.10 C ATOM 2800 C LEU C 266 -3.171 11.444 5.155 1.00 42.21 C ATOM 2801 O LEU C 266 -4.360 11.452 4.859 1.00 33.51 O ATOM 2802 CB LEU C 266 -1.844 10.000 6.813 1.00 55.35 C ATOM 2803 CG LEU C 266 -2.836 9.701 7.969 1.00 70.41 C ATOM 2804 CD1 LEU C 266 -3.837 10.809 8.178 1.00 31.35 C ATOM 2805 CD2 LEU C 266 -3.548 8.406 7.694 1.00 1.32 C ATOM 0 H LEU C 266 -0.394 10.169 4.824 1.00 2.42 H new ATOM 0 HA LEU C 266 -3.103 9.294 5.210 1.00 62.10 H new ATOM 0 HB2 LEU C 266 -1.091 9.212 6.809 1.00 55.35 H new ATOM 0 HB3 LEU C 266 -1.329 10.931 7.049 1.00 55.35 H new ATOM 0 HG LEU C 266 -2.255 9.624 8.888 1.00 70.41 H new ATOM 0 HD11 LEU C 266 -4.505 10.546 8.998 1.00 31.35 H new ATOM 0 HD12 LEU C 266 -3.312 11.733 8.420 1.00 31.35 H new ATOM 0 HD13 LEU C 266 -4.419 10.950 7.267 1.00 31.35 H new ATOM 0 HD21 LEU C 266 -4.245 8.195 8.505 1.00 1.32 H new ATOM 0 HD22 LEU C 266 -4.096 8.485 6.755 1.00 1.32 H new ATOM 0 HD23 LEU C 266 -2.819 7.598 7.622 1.00 1.32 H new ATOM 2817 N ASN C 267 -2.451 12.552 5.277 1.00 42.04 N ATOM 2818 CA ASN C 267 -3.027 13.895 5.062 1.00 51.42 C ATOM 2819 C ASN C 267 -3.145 14.174 3.578 1.00 14.02 C ATOM 2820 O ASN C 267 -3.794 15.125 3.146 1.00 22.40 O ATOM 2821 CB ASN C 267 -2.150 14.979 5.696 1.00 60.54 C ATOM 2822 CG ASN C 267 -2.059 14.892 7.203 1.00 30.40 C ATOM 2823 OD1 ASN C 267 -1.201 14.204 7.751 1.00 11.41 O ATOM 2824 ND2 ASN C 267 -2.916 15.604 7.882 1.00 33.34 N ATOM 0 H ASN C 267 -1.462 12.558 5.525 1.00 42.04 H new ATOM 0 HA ASN C 267 -4.011 13.914 5.530 1.00 51.42 H new ATOM 0 HB2 ASN C 267 -1.146 14.911 5.277 1.00 60.54 H new ATOM 0 HB3 ASN C 267 -2.544 15.958 5.422 1.00 60.54 H new ATOM 0 HD21 ASN C 267 -2.887 15.601 8.902 1.00 33.34 H new ATOM 0 HD22 ASN C 267 -3.615 16.164 7.393 1.00 33.34 H new ATOM 3120 N GLY D 319 13.975 -12.485 3.183 1.00 53.45 N ATOM 3121 CA GLY D 319 14.286 -12.075 4.509 1.00 50.51 C ATOM 3122 C GLY D 319 15.685 -11.551 4.618 1.00 15.53 C ATOM 3123 O GLY D 319 16.456 -11.990 5.483 1.00 13.31 O ATOM 0 HA2 GLY D 319 13.584 -11.303 4.825 1.00 50.51 H new ATOM 0 HA3 GLY D 319 14.160 -12.918 5.189 1.00 50.51 H new ATOM 3127 N ASP D 320 16.044 -10.644 3.753 1.00 53.30 N ATOM 3128 CA ASP D 320 17.358 -10.035 3.834 1.00 32.44 C ATOM 3129 C ASP D 320 17.233 -8.539 3.736 1.00 43.33 C ATOM 3130 O ASP D 320 16.161 -8.008 4.030 1.00 20.34 O ATOM 3131 CB ASP D 320 18.385 -10.633 2.843 1.00 72.00 C ATOM 3132 CG ASP D 320 18.178 -10.326 1.366 1.00 1.12 C ATOM 3133 OD1 ASP D 320 17.361 -10.983 0.712 1.00 61.42 O ATOM 3134 OD2 ASP D 320 18.890 -9.439 0.837 1.00 55.34 O ATOM 0 H ASP D 320 15.458 -10.308 2.989 1.00 53.30 H new ATOM 0 HA ASP D 320 17.776 -10.276 4.811 1.00 32.44 H new ATOM 0 HB2 ASP D 320 19.376 -10.279 3.127 1.00 72.00 H new ATOM 0 HB3 ASP D 320 18.385 -11.716 2.967 1.00 72.00 H new ATOM 3163 N ASP D 322 18.866 -6.731 5.767 1.00 43.45 N ATOM 3164 CA ASP D 322 18.808 -6.623 7.246 1.00 44.12 C ATOM 3165 C ASP D 322 17.617 -7.312 7.792 1.00 62.22 C ATOM 3166 O ASP D 322 17.718 -8.092 8.745 1.00 62.32 O ATOM 3167 CB ASP D 322 18.868 -5.229 7.705 1.00 10.24 C ATOM 3168 CG ASP D 322 18.795 -5.105 9.198 1.00 52.15 C ATOM 3169 OD1 ASP D 322 19.846 -5.176 9.861 1.00 74.31 O ATOM 3170 OD2 ASP D 322 17.678 -4.933 9.732 1.00 53.45 O ATOM 0 HA ASP D 322 19.695 -7.126 7.632 1.00 44.12 H new ATOM 0 HB2 ASP D 322 19.794 -4.775 7.352 1.00 10.24 H new ATOM 0 HB3 ASP D 322 18.047 -4.668 7.258 1.00 10.24 H new ATOM 3175 N SER D 323 16.485 -6.970 7.237 1.00 23.53 N ATOM 3176 CA SER D 323 15.290 -7.697 7.415 1.00 63.05 C ATOM 3177 C SER D 323 14.477 -7.387 8.720 1.00 2.13 C ATOM 3178 O SER D 323 13.384 -7.929 8.892 1.00 34.24 O ATOM 3179 CB SER D 323 15.627 -9.181 7.172 1.00 53.23 C ATOM 3180 OG SER D 323 14.511 -10.050 7.269 1.00 11.20 O ATOM 0 H SER D 323 16.382 -6.153 6.635 1.00 23.53 H new ATOM 0 HA SER D 323 14.557 -7.363 6.681 1.00 63.05 H new ATOM 0 HB2 SER D 323 16.070 -9.285 6.181 1.00 53.23 H new ATOM 0 HB3 SER D 323 16.382 -9.494 7.893 1.00 53.23 H new ATOM 0 HG SER D 323 13.684 -9.532 7.179 1.00 11.20 H new ATOM 3186 N MET D 324 14.977 -6.507 9.626 1.00 61.20 N ATOM 3187 CA MET D 324 14.163 -6.133 10.829 1.00 52.42 C ATOM 3188 C MET D 324 14.368 -4.695 11.304 1.00 72.31 C ATOM 3189 O MET D 324 15.478 -4.298 11.653 1.00 74.45 O ATOM 3190 CB MET D 324 14.397 -7.060 12.034 1.00 10.44 C ATOM 3191 CG MET D 324 13.946 -8.487 11.868 1.00 32.52 C ATOM 3192 SD MET D 324 14.174 -9.452 13.370 1.00 32.14 S ATOM 3193 CE MET D 324 13.101 -8.562 14.504 1.00 1.30 C ATOM 0 H MET D 324 15.891 -6.059 9.562 1.00 61.20 H new ATOM 0 HA MET D 324 13.140 -6.243 10.469 1.00 52.42 H new ATOM 0 HB2 MET D 324 15.462 -7.061 12.264 1.00 10.44 H new ATOM 0 HB3 MET D 324 13.885 -6.636 12.898 1.00 10.44 H new ATOM 0 HG2 MET D 324 12.894 -8.503 11.584 1.00 32.52 H new ATOM 0 HG3 MET D 324 14.503 -8.950 11.053 1.00 32.52 H new ATOM 0 HE1 MET D 324 12.582 -9.273 15.147 1.00 1.30 H new ATOM 0 HE2 MET D 324 13.699 -7.887 15.117 1.00 1.30 H new ATOM 0 HE3 MET D 324 12.370 -7.985 13.937 1.00 1.30 H new ATOM 3203 N LYS D 325 13.286 -3.930 11.343 1.00 1.24 N ATOM 3204 CA LYS D 325 13.281 -2.574 11.904 1.00 24.23 C ATOM 3205 C LYS D 325 12.053 -2.370 12.795 1.00 60.02 C ATOM 3206 O LYS D 325 11.283 -3.307 13.023 1.00 65.23 O ATOM 3207 CB LYS D 325 13.321 -1.511 10.797 1.00 44.32 C ATOM 3208 CG LYS D 325 14.659 -1.374 10.089 1.00 74.44 C ATOM 3209 CD LYS D 325 15.687 -0.740 11.007 1.00 50.41 C ATOM 3210 CE LYS D 325 15.369 0.725 11.308 1.00 35.44 C ATOM 3211 NZ LYS D 325 16.348 1.322 12.237 1.00 64.24 N ATOM 0 H LYS D 325 12.379 -4.229 10.986 1.00 1.24 H new ATOM 0 HA LYS D 325 14.180 -2.460 12.510 1.00 24.23 H new ATOM 0 HB2 LYS D 325 12.557 -1.750 10.057 1.00 44.32 H new ATOM 0 HB3 LYS D 325 13.055 -0.547 11.230 1.00 44.32 H new ATOM 0 HG2 LYS D 325 15.008 -2.355 9.766 1.00 74.44 H new ATOM 0 HG3 LYS D 325 14.541 -0.766 9.192 1.00 74.44 H new ATOM 0 HD2 LYS D 325 15.731 -1.300 11.941 1.00 50.41 H new ATOM 0 HD3 LYS D 325 16.673 -0.809 10.548 1.00 50.41 H new ATOM 0 HE2 LYS D 325 15.359 1.293 10.378 1.00 35.44 H new ATOM 0 HE3 LYS D 325 14.370 0.799 11.737 1.00 35.44 H new ATOM 0 HZ1 LYS D 325 16.097 2.315 12.415 1.00 64.24 H new ATOM 0 HZ2 LYS D 325 16.340 0.797 13.134 1.00 64.24 H new ATOM 0 HZ3 LYS D 325 17.298 1.275 11.817 1.00 64.24 H new ATOM 3225 N GLU D 326 11.888 -1.170 13.317 1.00 73.52 N ATOM 3226 CA GLU D 326 10.748 -0.816 14.150 1.00 52.43 C ATOM 3227 C GLU D 326 10.514 0.711 14.103 1.00 13.45 C ATOM 3228 O GLU D 326 11.430 1.440 13.693 1.00 63.34 O ATOM 3229 CB GLU D 326 10.931 -1.349 15.584 1.00 12.04 C ATOM 3230 CG GLU D 326 12.210 -0.946 16.265 1.00 62.45 C ATOM 3231 CD GLU D 326 12.275 -1.492 17.654 1.00 44.33 C ATOM 3232 OE1 GLU D 326 12.611 -2.683 17.826 1.00 60.10 O ATOM 3233 OE2 GLU D 326 11.951 -0.748 18.601 1.00 4.14 O ATOM 0 H GLU D 326 12.546 -0.404 13.175 1.00 73.52 H new ATOM 0 HA GLU D 326 9.850 -1.293 13.758 1.00 52.43 H new ATOM 0 HB2 GLU D 326 10.093 -1.006 16.190 1.00 12.04 H new ATOM 0 HB3 GLU D 326 10.881 -2.438 15.558 1.00 12.04 H new ATOM 0 HG2 GLU D 326 13.062 -1.307 15.689 1.00 62.45 H new ATOM 0 HG3 GLU D 326 12.283 0.141 16.295 1.00 62.45 H new ATOM 3240 N PRO D 327 9.272 1.206 14.491 1.00 71.22 N ATOM 3241 CA PRO D 327 8.871 2.621 14.429 1.00 31.33 C ATOM 3242 C PRO D 327 9.954 3.663 14.668 1.00 41.11 C ATOM 3243 O PRO D 327 10.558 3.737 15.749 1.00 52.05 O ATOM 3244 CB PRO D 327 7.821 2.720 15.514 1.00 52.13 C ATOM 3245 CG PRO D 327 7.105 1.435 15.423 1.00 72.14 C ATOM 3246 CD PRO D 327 8.129 0.404 15.005 1.00 63.33 C ATOM 0 HA PRO D 327 8.550 2.855 13.414 1.00 31.33 H new ATOM 0 HB2 PRO D 327 8.272 2.859 16.497 1.00 52.13 H new ATOM 0 HB3 PRO D 327 7.152 3.564 15.348 1.00 52.13 H new ATOM 0 HG2 PRO D 327 6.657 1.171 16.381 1.00 72.14 H new ATOM 0 HG3 PRO D 327 6.294 1.493 14.697 1.00 72.14 H new ATOM 0 HD2 PRO D 327 8.429 -0.222 15.845 1.00 63.33 H new ATOM 0 HD3 PRO D 327 7.733 -0.261 14.238 1.00 63.33 H new