USER MOD reduce.3.24.130724 H: found=0, std=0, add=1059, rem=0, adj=18 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: A 30 ASN :FLIP amide:sc= -0.103 F(o=-3.2!,f=-0.91) USER MOD Set 1.2: C 261 TYR OH : rot 30:sc= -0.81 USER MOD Set 2.1: A 64 LYS NZ :NH3+ 170:sc= 0.778 (180deg=-0.425) USER MOD Set 2.2: C 230 ASN : amide:sc= -1.07! C(o=-0.29!,f=-4.6!) USER MOD Set 3.1: A 59 GLN : amide:sc= -1.03! K(o=-0.6!,f=-2.8) USER MOD Set 3.2: C 267 ASN : amide:sc= 0.432 K(o=-0.6,f=-1.4) USER MOD Set 4.1: A 16 SER OG : rot 110:sc= -2.55! USER MOD Set 4.2: A 17 HIS : no HD1:sc= -0.011 X(o=-2.6,f=-2.5) USER MOD Single : A 22 ASN :FLIP amide:sc= -0.93 F(o=-3.4!,f=-0.93) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 HIS : no HD1:sc= -1.95 X(o=-2,f=-1.6) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 147:sc= 0.633 USER MOD Single : A 33 ASN : amide:sc= -0.795 X(o=-0.8,f=-1.1) USER MOD Single : A 37 GLN : amide:sc= -3.02! C(o=-3!,f=-3.3!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= -0.799 K(o=-0.8,f=-1.6) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 TYR OH : rot 30:sc= -1.48! USER MOD Single : A 67 ASN : amide:sc= -1.06 K(o=-1.1,f=-1.7!) USER MOD Single : B 123 SER OG : rot 19:sc= 1.22 USER MOD Single : B 124 MET CE :methyl -159:sc= 0 (180deg=-0.0805) USER MOD Single : B 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 216 SER OG : rot 100:sc= 0.0219 USER MOD Single : C 217 HIS : no HE2:sc= -1.13 K(o=-1.1,f=-2.5!) USER MOD Single : C 222 ASN : amide:sc= -0.731 X(o=-0.73,f=-0.37) USER MOD Single : C 224 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 225 HIS :FLIP no HD1:sc= -0.755 F(o=-2.2,f=-0.76) USER MOD Single : C 227 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 231 THR OG1 : rot 180:sc= 0 USER MOD Single : C 233 ASN : amide:sc= -0.254! X(o=-0.25!,f=-0.24) USER MOD Single : C 237 GLN : amide:sc= -2.64 K(o=-2.6,f=-7.5!) USER MOD Single : C 243 LYS NZ :NH3+ 178:sc= 1.09 (180deg=1.09) USER MOD Single : C 248 GLN : amide:sc= 0.509 K(o=0.51,f=-4.2!) USER MOD Single : C 254 LYS NZ :NH3+ 170:sc= 1.26 (180deg=1.11) USER MOD Single : C 256 LYS NZ :NH3+ 148:sc= 1.22 (180deg=0.172) USER MOD Single : C 259 GLN : amide:sc= -0.0889 K(o=-0.089,f=-2) USER MOD Single : C 264 LYS NZ :NH3+ 168:sc= -0.0215 (180deg=-0.161) USER MOD Single : D 323 SER OG : rot 24:sc= 0.158 USER MOD Single : D 324 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : D 325 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 115 N ARG A 8 2.551 10.460 -15.202 1.00 65.11 N ATOM 116 CA ARG A 8 1.241 10.001 -15.558 1.00 50.02 C ATOM 117 C ARG A 8 0.544 9.542 -14.312 1.00 41.22 C ATOM 118 O ARG A 8 1.191 9.304 -13.283 1.00 54.21 O ATOM 119 CB ARG A 8 1.304 8.860 -16.572 1.00 75.51 C ATOM 120 CG ARG A 8 2.038 9.202 -17.857 1.00 64.03 C ATOM 121 CD ARG A 8 1.953 8.070 -18.854 1.00 62.21 C ATOM 122 NE ARG A 8 2.502 6.811 -18.337 1.00 70.03 N ATOM 123 CZ ARG A 8 2.291 5.617 -18.882 1.00 74.14 C ATOM 124 NH1 ARG A 8 1.494 5.504 -19.945 1.00 60.32 N ATOM 125 NH2 ARG A 8 2.856 4.556 -18.346 1.00 34.32 N ATOM 0 HA ARG A 8 0.692 10.820 -16.023 1.00 50.02 H new ATOM 0 HB2 ARG A 8 1.791 8.003 -16.107 1.00 75.51 H new ATOM 0 HB3 ARG A 8 0.288 8.553 -16.819 1.00 75.51 H new ATOM 0 HG2 ARG A 8 1.612 10.106 -18.292 1.00 64.03 H new ATOM 0 HG3 ARG A 8 3.083 9.417 -17.635 1.00 64.03 H new ATOM 0 HD2 ARG A 8 0.911 7.918 -19.135 1.00 62.21 H new ATOM 0 HD3 ARG A 8 2.490 8.350 -19.760 1.00 62.21 H new ATOM 0 HE ARG A 8 3.086 6.855 -17.502 1.00 70.03 H new ATOM 0 HH11 ARG A 8 1.048 6.333 -20.338 1.00 60.32 H new ATOM 0 HH12 ARG A 8 1.331 4.589 -20.365 1.00 60.32 H new ATOM 0 HH21 ARG A 8 3.448 4.655 -17.521 1.00 34.32 H new ATOM 0 HH22 ARG A 8 2.702 3.634 -18.755 1.00 34.32 H new ATOM 139 N CYS A 9 -0.741 9.448 -14.361 1.00 4.10 N ATOM 140 CA CYS A 9 -1.478 9.000 -13.229 1.00 10.54 C ATOM 141 C CYS A 9 -2.541 8.015 -13.718 1.00 14.12 C ATOM 142 O CYS A 9 -3.208 8.284 -14.718 1.00 14.12 O ATOM 143 CB CYS A 9 -2.109 10.211 -12.536 1.00 12.35 C ATOM 144 SG CYS A 9 -2.851 9.896 -10.914 1.00 74.01 S ATOM 0 H CYS A 9 -1.306 9.677 -15.179 1.00 4.10 H new ATOM 0 HA CYS A 9 -0.836 8.497 -12.507 1.00 10.54 H new ATOM 0 HB2 CYS A 9 -1.344 10.979 -12.421 1.00 12.35 H new ATOM 0 HB3 CYS A 9 -2.877 10.621 -13.192 1.00 12.35 H new ATOM 149 N PRO A 10 -2.694 6.848 -13.059 1.00 23.44 N ATOM 150 CA PRO A 10 -3.653 5.835 -13.490 1.00 41.22 C ATOM 151 C PRO A 10 -5.092 6.176 -13.086 1.00 0.02 C ATOM 152 O PRO A 10 -5.995 6.254 -13.924 1.00 73.40 O ATOM 153 CB PRO A 10 -3.185 4.547 -12.775 1.00 71.31 C ATOM 154 CG PRO A 10 -1.947 4.919 -12.004 1.00 34.13 C ATOM 155 CD PRO A 10 -1.947 6.412 -11.872 1.00 51.33 C ATOM 0 HA PRO A 10 -3.675 5.747 -14.576 1.00 41.22 H new ATOM 0 HB2 PRO A 10 -3.960 4.169 -12.108 1.00 71.31 H new ATOM 0 HB3 PRO A 10 -2.972 3.758 -13.496 1.00 71.31 H new ATOM 0 HG2 PRO A 10 -1.947 4.445 -11.023 1.00 34.13 H new ATOM 0 HG3 PRO A 10 -1.052 4.577 -12.523 1.00 34.13 H new ATOM 0 HD2 PRO A 10 -2.430 6.736 -10.950 1.00 51.33 H new ATOM 0 HD3 PRO A 10 -0.935 6.816 -11.861 1.00 51.33 H new ATOM 163 N CYS A 11 -5.299 6.394 -11.824 1.00 45.21 N ATOM 164 CA CYS A 11 -6.617 6.657 -11.326 1.00 31.31 C ATOM 165 C CYS A 11 -6.901 8.128 -11.340 1.00 61.23 C ATOM 166 O CYS A 11 -6.295 8.900 -10.600 1.00 33.12 O ATOM 167 CB CYS A 11 -6.782 6.072 -9.939 1.00 61.55 C ATOM 168 SG CYS A 11 -6.413 4.294 -9.874 1.00 43.53 S ATOM 0 H CYS A 11 -4.567 6.395 -11.114 1.00 45.21 H new ATOM 0 HA CYS A 11 -7.344 6.175 -11.980 1.00 31.31 H new ATOM 0 HB2 CYS A 11 -6.126 6.600 -9.247 1.00 61.55 H new ATOM 0 HB3 CYS A 11 -7.804 6.239 -9.599 1.00 61.55 H new ATOM 173 N ARG A 12 -7.806 8.519 -12.199 1.00 2.52 N ATOM 174 CA ARG A 12 -8.164 9.902 -12.324 1.00 55.33 C ATOM 175 C ARG A 12 -9.243 10.228 -11.312 1.00 13.22 C ATOM 176 O ARG A 12 -9.429 11.382 -10.917 1.00 11.34 O ATOM 177 CB ARG A 12 -8.620 10.187 -13.751 1.00 32.11 C ATOM 178 CG ARG A 12 -8.911 11.645 -14.043 1.00 60.23 C ATOM 179 CD ARG A 12 -9.171 11.854 -15.518 1.00 4.22 C ATOM 180 NE ARG A 12 -8.015 11.426 -16.328 1.00 41.13 N ATOM 181 CZ ARG A 12 -7.916 11.532 -17.661 1.00 15.53 C ATOM 182 NH1 ARG A 12 -8.871 12.155 -18.359 1.00 20.43 N ATOM 183 NH2 ARG A 12 -6.845 11.037 -18.288 1.00 41.02 N ATOM 0 H ARG A 12 -8.310 7.891 -12.825 1.00 2.52 H new ATOM 0 HA ARG A 12 -7.303 10.538 -12.120 1.00 55.33 H new ATOM 0 HB2 ARG A 12 -7.851 9.839 -14.440 1.00 32.11 H new ATOM 0 HB3 ARG A 12 -9.518 9.603 -13.955 1.00 32.11 H new ATOM 0 HG2 ARG A 12 -9.777 11.971 -13.466 1.00 60.23 H new ATOM 0 HG3 ARG A 12 -8.068 12.260 -13.727 1.00 60.23 H new ATOM 0 HD2 ARG A 12 -10.056 11.293 -15.817 1.00 4.22 H new ATOM 0 HD3 ARG A 12 -9.382 12.906 -15.708 1.00 4.22 H new ATOM 0 HE ARG A 12 -7.224 11.015 -15.832 1.00 41.13 H new ATOM 0 HH11 ARG A 12 -9.678 12.552 -17.878 1.00 20.43 H new ATOM 0 HH12 ARG A 12 -8.792 12.234 -19.373 1.00 20.43 H new ATOM 0 HH21 ARG A 12 -6.106 10.580 -17.753 1.00 41.02 H new ATOM 0 HH22 ARG A 12 -6.766 11.116 -19.302 1.00 41.02 H new ATOM 197 N PHE A 13 -9.935 9.194 -10.887 1.00 4.41 N ATOM 198 CA PHE A 13 -10.954 9.300 -9.885 1.00 21.21 C ATOM 199 C PHE A 13 -10.698 8.227 -8.846 1.00 0.42 C ATOM 200 O PHE A 13 -9.954 7.269 -9.113 1.00 25.34 O ATOM 201 CB PHE A 13 -12.346 9.109 -10.493 1.00 41.41 C ATOM 202 CG PHE A 13 -12.659 10.036 -11.628 1.00 23.12 C ATOM 203 CD1 PHE A 13 -13.063 11.332 -11.389 1.00 11.14 C ATOM 204 CD2 PHE A 13 -12.541 9.604 -12.938 1.00 73.51 C ATOM 205 CE1 PHE A 13 -13.345 12.183 -12.430 1.00 73.20 C ATOM 206 CE2 PHE A 13 -12.822 10.448 -13.983 1.00 4.01 C ATOM 207 CZ PHE A 13 -13.225 11.741 -13.729 1.00 74.04 C ATOM 0 H PHE A 13 -9.798 8.246 -11.237 1.00 4.41 H new ATOM 0 HA PHE A 13 -10.922 10.292 -9.435 1.00 21.21 H new ATOM 0 HB2 PHE A 13 -12.438 8.081 -10.844 1.00 41.41 H new ATOM 0 HB3 PHE A 13 -13.093 9.247 -9.711 1.00 41.41 H new ATOM 0 HD1 PHE A 13 -13.159 11.682 -10.372 1.00 11.14 H new ATOM 0 HD2 PHE A 13 -12.224 8.591 -13.140 1.00 73.51 H new ATOM 0 HE1 PHE A 13 -13.660 13.196 -12.230 1.00 73.20 H new ATOM 0 HE2 PHE A 13 -12.728 10.100 -15.001 1.00 4.01 H new ATOM 0 HZ PHE A 13 -13.447 12.408 -14.549 1.00 74.04 H new ATOM 217 N PHE A 14 -11.261 8.398 -7.685 1.00 45.44 N ATOM 218 CA PHE A 14 -11.091 7.467 -6.595 1.00 4.01 C ATOM 219 C PHE A 14 -12.426 7.173 -5.930 1.00 3.30 C ATOM 220 O PHE A 14 -13.303 8.013 -5.944 1.00 41.14 O ATOM 221 CB PHE A 14 -10.068 8.025 -5.578 1.00 44.44 C ATOM 222 CG PHE A 14 -10.337 9.454 -5.127 1.00 43.01 C ATOM 223 CD1 PHE A 14 -11.282 9.739 -4.148 1.00 71.20 C ATOM 224 CD2 PHE A 14 -9.635 10.510 -5.692 1.00 60.10 C ATOM 225 CE1 PHE A 14 -11.517 11.041 -3.745 1.00 60.41 C ATOM 226 CE2 PHE A 14 -9.868 11.813 -5.295 1.00 61.40 C ATOM 227 CZ PHE A 14 -10.810 12.079 -4.320 1.00 60.20 C ATOM 0 H PHE A 14 -11.858 9.194 -7.461 1.00 45.44 H new ATOM 0 HA PHE A 14 -10.704 6.527 -6.988 1.00 4.01 H new ATOM 0 HB2 PHE A 14 -10.057 7.377 -4.701 1.00 44.44 H new ATOM 0 HB3 PHE A 14 -9.073 7.979 -6.021 1.00 44.44 H new ATOM 0 HD1 PHE A 14 -11.840 8.933 -3.696 1.00 71.20 H new ATOM 0 HD2 PHE A 14 -8.896 10.310 -6.453 1.00 60.10 H new ATOM 0 HE1 PHE A 14 -12.253 11.246 -2.981 1.00 60.41 H new ATOM 0 HE2 PHE A 14 -9.314 12.623 -5.747 1.00 61.40 H new ATOM 0 HZ PHE A 14 -10.993 13.097 -4.008 1.00 60.20 H new ATOM 237 N GLU A 15 -12.573 5.984 -5.388 1.00 12.43 N ATOM 238 CA GLU A 15 -13.747 5.594 -4.638 1.00 44.22 C ATOM 239 C GLU A 15 -13.531 6.085 -3.229 1.00 11.14 C ATOM 240 O GLU A 15 -12.379 6.257 -2.795 1.00 73.45 O ATOM 241 CB GLU A 15 -13.893 4.073 -4.519 1.00 30.42 C ATOM 242 CG GLU A 15 -13.677 3.265 -5.764 1.00 61.31 C ATOM 243 CD GLU A 15 -14.583 3.557 -6.929 1.00 12.51 C ATOM 244 OE1 GLU A 15 -14.227 4.397 -7.750 1.00 64.23 O ATOM 245 OE2 GLU A 15 -15.627 2.900 -7.075 1.00 70.32 O ATOM 0 H GLU A 15 -11.869 5.249 -5.457 1.00 12.43 H new ATOM 0 HA GLU A 15 -14.624 5.999 -5.142 1.00 44.22 H new ATOM 0 HB2 GLU A 15 -13.189 3.724 -3.763 1.00 30.42 H new ATOM 0 HB3 GLU A 15 -14.894 3.858 -4.146 1.00 30.42 H new ATOM 0 HG2 GLU A 15 -12.647 3.412 -6.090 1.00 61.31 H new ATOM 0 HG3 GLU A 15 -13.783 2.211 -5.507 1.00 61.31 H new ATOM 252 N SER A 16 -14.575 6.313 -2.516 1.00 74.21 N ATOM 253 CA SER A 16 -14.424 6.706 -1.162 1.00 12.03 C ATOM 254 C SER A 16 -15.147 5.744 -0.241 1.00 24.20 C ATOM 255 O SER A 16 -14.518 4.962 0.479 1.00 31.20 O ATOM 256 CB SER A 16 -14.835 8.150 -0.947 1.00 34.52 C ATOM 257 OG SER A 16 -14.736 8.509 0.417 1.00 21.22 O ATOM 0 H SER A 16 -15.537 6.235 -2.845 1.00 74.21 H new ATOM 0 HA SER A 16 -13.365 6.656 -0.908 1.00 12.03 H new ATOM 0 HB2 SER A 16 -14.202 8.805 -1.546 1.00 34.52 H new ATOM 0 HB3 SER A 16 -15.859 8.295 -1.291 1.00 34.52 H new ATOM 0 HG SER A 16 -13.991 9.135 0.537 1.00 21.22 H new ATOM 263 N HIS A 17 -16.446 5.732 -0.282 1.00 62.03 N ATOM 264 CA HIS A 17 -17.155 4.834 0.570 1.00 14.54 C ATOM 265 C HIS A 17 -17.359 3.508 -0.087 1.00 33.13 C ATOM 266 O HIS A 17 -18.446 3.162 -0.542 1.00 72.01 O ATOM 267 CB HIS A 17 -18.431 5.406 1.175 1.00 42.42 C ATOM 268 CG HIS A 17 -18.191 6.512 2.160 1.00 10.23 C ATOM 269 ND1 HIS A 17 -18.291 6.340 3.515 1.00 32.20 N ATOM 270 CD2 HIS A 17 -17.863 7.807 1.978 1.00 72.54 C ATOM 271 CE1 HIS A 17 -18.038 7.472 4.125 1.00 10.10 C ATOM 272 NE2 HIS A 17 -17.778 8.385 3.220 1.00 42.21 N ATOM 0 H HIS A 17 -17.023 6.321 -0.883 1.00 62.03 H new ATOM 0 HA HIS A 17 -16.510 4.676 1.435 1.00 14.54 H new ATOM 0 HB2 HIS A 17 -19.067 5.779 0.372 1.00 42.42 H new ATOM 0 HB3 HIS A 17 -18.979 4.604 1.670 1.00 42.42 H new ATOM 0 HD2 HIS A 17 -17.698 8.298 1.031 1.00 72.54 H new ATOM 0 HE1 HIS A 17 -18.043 7.627 5.194 1.00 10.10 H new ATOM 0 HE2 HIS A 17 -17.551 9.361 3.408 1.00 42.21 H new ATOM 281 N VAL A 18 -16.259 2.846 -0.229 1.00 63.25 N ATOM 282 CA VAL A 18 -16.170 1.520 -0.711 1.00 0.22 C ATOM 283 C VAL A 18 -15.959 0.665 0.520 1.00 74.42 C ATOM 284 O VAL A 18 -15.403 1.150 1.513 1.00 74.52 O ATOM 285 CB VAL A 18 -14.978 1.374 -1.738 1.00 62.20 C ATOM 286 CG1 VAL A 18 -13.644 1.806 -1.137 1.00 62.33 C ATOM 287 CG2 VAL A 18 -14.876 -0.043 -2.301 1.00 62.41 C ATOM 0 H VAL A 18 -15.349 3.245 0.004 1.00 63.25 H new ATOM 0 HA VAL A 18 -17.065 1.218 -1.254 1.00 0.22 H new ATOM 0 HB VAL A 18 -15.206 2.048 -2.563 1.00 62.20 H new ATOM 0 HG11 VAL A 18 -12.855 1.688 -1.880 1.00 62.33 H new ATOM 0 HG12 VAL A 18 -13.703 2.851 -0.833 1.00 62.33 H new ATOM 0 HG13 VAL A 18 -13.419 1.188 -0.268 1.00 62.33 H new ATOM 0 HG21 VAL A 18 -14.043 -0.097 -3.002 1.00 62.41 H new ATOM 0 HG22 VAL A 18 -14.710 -0.747 -1.486 1.00 62.41 H new ATOM 0 HG23 VAL A 18 -15.802 -0.297 -2.817 1.00 62.41 H new ATOM 297 N ALA A 19 -16.401 -0.550 0.498 1.00 63.11 N ATOM 298 CA ALA A 19 -16.320 -1.354 1.669 1.00 24.30 C ATOM 299 C ALA A 19 -14.935 -1.917 1.805 1.00 52.15 C ATOM 300 O ALA A 19 -14.447 -2.623 0.918 1.00 41.20 O ATOM 301 CB ALA A 19 -17.371 -2.442 1.651 1.00 72.02 C ATOM 0 H ALA A 19 -16.819 -1.004 -0.314 1.00 63.11 H new ATOM 0 HA ALA A 19 -16.521 -0.733 2.542 1.00 24.30 H new ATOM 0 HB1 ALA A 19 -17.288 -3.043 2.557 1.00 72.02 H new ATOM 0 HB2 ALA A 19 -18.362 -1.990 1.605 1.00 72.02 H new ATOM 0 HB3 ALA A 19 -17.221 -3.078 0.779 1.00 72.02 H new ATOM 307 N ARG A 20 -14.303 -1.609 2.914 1.00 15.14 N ATOM 308 CA ARG A 20 -12.954 -2.046 3.182 1.00 54.33 C ATOM 309 C ARG A 20 -12.874 -3.570 3.292 1.00 23.12 C ATOM 310 O ARG A 20 -11.832 -4.158 3.081 1.00 40.13 O ATOM 311 CB ARG A 20 -12.368 -1.293 4.419 1.00 72.01 C ATOM 312 CG ARG A 20 -13.149 -1.430 5.727 1.00 0.33 C ATOM 313 CD ARG A 20 -12.934 -2.775 6.363 1.00 72.10 C ATOM 314 NE ARG A 20 -13.875 -3.033 7.461 1.00 25.42 N ATOM 315 CZ ARG A 20 -13.924 -4.161 8.186 1.00 74.21 C ATOM 316 NH1 ARG A 20 -12.921 -5.017 8.157 1.00 34.34 N ATOM 317 NH2 ARG A 20 -14.942 -4.385 9.003 1.00 23.31 N ATOM 0 H ARG A 20 -14.713 -1.045 3.659 1.00 15.14 H new ATOM 0 HA ARG A 20 -12.320 -1.782 2.335 1.00 54.33 H new ATOM 0 HB2 ARG A 20 -11.352 -1.651 4.588 1.00 72.01 H new ATOM 0 HB3 ARG A 20 -12.296 -0.234 4.172 1.00 72.01 H new ATOM 0 HG2 ARG A 20 -12.841 -0.646 6.419 1.00 0.33 H new ATOM 0 HG3 ARG A 20 -14.212 -1.284 5.534 1.00 0.33 H new ATOM 0 HD2 ARG A 20 -13.041 -3.553 5.607 1.00 72.10 H new ATOM 0 HD3 ARG A 20 -11.913 -2.836 6.741 1.00 72.10 H new ATOM 0 HE ARG A 20 -14.543 -2.297 7.690 1.00 25.42 H new ATOM 0 HH11 ARG A 20 -12.102 -4.823 7.581 1.00 34.34 H new ATOM 0 HH12 ARG A 20 -12.965 -5.873 8.711 1.00 34.34 H new ATOM 0 HH21 ARG A 20 -15.692 -3.699 9.083 1.00 23.31 H new ATOM 0 HH22 ARG A 20 -14.976 -5.244 9.552 1.00 23.31 H new ATOM 331 N ALA A 21 -13.992 -4.187 3.642 1.00 5.54 N ATOM 332 CA ALA A 21 -14.090 -5.635 3.709 1.00 31.43 C ATOM 333 C ALA A 21 -14.378 -6.235 2.329 1.00 23.13 C ATOM 334 O ALA A 21 -14.316 -7.450 2.134 1.00 22.14 O ATOM 335 CB ALA A 21 -15.140 -6.059 4.722 1.00 52.10 C ATOM 0 H ALA A 21 -14.854 -3.699 3.887 1.00 5.54 H new ATOM 0 HA ALA A 21 -13.127 -6.022 4.041 1.00 31.43 H new ATOM 0 HB1 ALA A 21 -15.196 -7.147 4.755 1.00 52.10 H new ATOM 0 HB2 ALA A 21 -14.869 -5.680 5.707 1.00 52.10 H new ATOM 0 HB3 ALA A 21 -16.110 -5.655 4.432 1.00 52.10 H new ATOM 341 N ASN A 22 -14.701 -5.382 1.380 1.00 65.34 N ATOM 342 CA ASN A 22 -15.097 -5.838 0.066 1.00 35.31 C ATOM 343 C ASN A 22 -13.932 -5.727 -0.931 1.00 61.54 C ATOM 344 O ASN A 22 -14.050 -6.100 -2.097 1.00 44.13 O ATOM 345 CB ASN A 22 -16.361 -5.085 -0.380 1.00 63.23 C ATOM 346 CG ASN A 22 -17.005 -5.592 -1.662 1.00 62.43 C ATOM 347 OD1 ASN A 22 -16.757 -4.926 -2.754 1.00 10.22 O flip ATOM 348 ND2 ASN A 22 -17.785 -6.539 -1.640 1.00 24.10 N flip ATOM 0 H ASN A 22 -14.697 -4.368 1.495 1.00 65.34 H new ATOM 0 HA ASN A 22 -15.350 -6.898 0.102 1.00 35.31 H new ATOM 0 HB2 ASN A 22 -17.097 -5.139 0.422 1.00 63.23 H new ATOM 0 HB3 ASN A 22 -16.109 -4.033 -0.512 1.00 63.23 H new ATOM 0 HD21 ASN A 22 -17.956 -7.039 -0.767 1.00 24.10 H new ATOM 0 HD22 ASN A 22 -18.262 -6.827 -2.494 1.00 24.10 H new ATOM 355 N VAL A 23 -12.811 -5.230 -0.460 1.00 52.04 N ATOM 356 CA VAL A 23 -11.584 -5.183 -1.263 1.00 41.14 C ATOM 357 C VAL A 23 -10.602 -6.279 -0.795 1.00 11.34 C ATOM 358 O VAL A 23 -10.675 -6.723 0.348 1.00 64.04 O ATOM 359 CB VAL A 23 -10.899 -3.794 -1.194 1.00 62.24 C ATOM 360 CG1 VAL A 23 -11.791 -2.737 -1.826 1.00 53.23 C ATOM 361 CG2 VAL A 23 -10.603 -3.424 0.247 1.00 3.13 C ATOM 0 H VAL A 23 -12.711 -4.847 0.480 1.00 52.04 H new ATOM 0 HA VAL A 23 -11.864 -5.362 -2.301 1.00 41.14 H new ATOM 0 HB VAL A 23 -9.960 -3.842 -1.746 1.00 62.24 H new ATOM 0 HG11 VAL A 23 -11.299 -1.766 -1.771 1.00 53.23 H new ATOM 0 HG12 VAL A 23 -11.975 -2.993 -2.870 1.00 53.23 H new ATOM 0 HG13 VAL A 23 -12.739 -2.694 -1.291 1.00 53.23 H new ATOM 0 HG21 VAL A 23 -10.122 -2.446 0.280 1.00 3.13 H new ATOM 0 HG22 VAL A 23 -11.534 -3.390 0.812 1.00 3.13 H new ATOM 0 HG23 VAL A 23 -9.940 -4.170 0.685 1.00 3.13 H new ATOM 371 N LYS A 24 -9.709 -6.728 -1.687 1.00 53.20 N ATOM 372 CA LYS A 24 -8.749 -7.788 -1.328 1.00 73.21 C ATOM 373 C LYS A 24 -7.507 -7.235 -0.663 1.00 72.11 C ATOM 374 O LYS A 24 -6.979 -7.817 0.282 1.00 11.12 O ATOM 375 CB LYS A 24 -8.329 -8.622 -2.551 1.00 71.21 C ATOM 376 CG LYS A 24 -9.478 -9.322 -3.213 1.00 55.43 C ATOM 377 CD LYS A 24 -9.040 -10.318 -4.296 1.00 22.40 C ATOM 378 CE LYS A 24 -8.342 -9.659 -5.472 1.00 62.24 C ATOM 379 NZ LYS A 24 -7.950 -10.661 -6.491 1.00 10.03 N ATOM 0 H LYS A 24 -9.629 -6.384 -2.644 1.00 53.20 H new ATOM 0 HA LYS A 24 -9.273 -8.430 -0.619 1.00 73.21 H new ATOM 0 HB2 LYS A 24 -7.842 -7.971 -3.277 1.00 71.21 H new ATOM 0 HB3 LYS A 24 -7.591 -9.362 -2.242 1.00 71.21 H new ATOM 0 HG2 LYS A 24 -10.057 -9.851 -2.456 1.00 55.43 H new ATOM 0 HG3 LYS A 24 -10.139 -8.579 -3.659 1.00 55.43 H new ATOM 0 HD2 LYS A 24 -8.371 -11.055 -3.852 1.00 22.40 H new ATOM 0 HD3 LYS A 24 -9.915 -10.858 -4.658 1.00 22.40 H new ATOM 0 HE2 LYS A 24 -9.003 -8.918 -5.922 1.00 62.24 H new ATOM 0 HE3 LYS A 24 -7.457 -9.127 -5.122 1.00 62.24 H new ATOM 0 HZ1 LYS A 24 -7.475 -10.183 -7.283 1.00 10.03 H new ATOM 0 HZ2 LYS A 24 -7.301 -11.353 -6.065 1.00 10.03 H new ATOM 0 HZ3 LYS A 24 -8.798 -11.151 -6.841 1.00 10.03 H new ATOM 393 N HIS A 25 -7.027 -6.133 -1.175 1.00 45.32 N ATOM 394 CA HIS A 25 -5.817 -5.510 -0.654 1.00 73.44 C ATOM 395 C HIS A 25 -5.710 -4.127 -1.216 1.00 3.45 C ATOM 396 O HIS A 25 -6.480 -3.770 -2.086 1.00 41.02 O ATOM 397 CB HIS A 25 -4.536 -6.316 -1.053 1.00 55.02 C ATOM 398 CG HIS A 25 -4.165 -6.291 -2.535 1.00 71.33 C ATOM 399 ND1 HIS A 25 -4.147 -7.406 -3.339 1.00 41.34 N ATOM 400 CD2 HIS A 25 -3.755 -5.263 -3.337 1.00 34.21 C ATOM 401 CE1 HIS A 25 -3.744 -7.056 -4.551 1.00 61.50 C ATOM 402 NE2 HIS A 25 -3.509 -5.778 -4.567 1.00 34.20 N ATOM 0 H HIS A 25 -7.452 -5.637 -1.959 1.00 45.32 H new ATOM 0 HA HIS A 25 -5.883 -5.490 0.434 1.00 73.44 H new ATOM 0 HB2 HIS A 25 -3.693 -5.928 -0.481 1.00 55.02 H new ATOM 0 HB3 HIS A 25 -4.675 -7.354 -0.751 1.00 55.02 H new ATOM 0 HD2 HIS A 25 -3.647 -4.229 -3.044 1.00 34.21 H new ATOM 0 HE1 HIS A 25 -3.629 -7.725 -5.391 1.00 61.50 H new ATOM 0 HE2 HIS A 25 -3.190 -5.246 -5.377 1.00 34.20 H new ATOM 411 N LEU A 26 -4.711 -3.397 -0.788 1.00 5.13 N ATOM 412 CA LEU A 26 -4.457 -2.062 -1.296 1.00 12.31 C ATOM 413 C LEU A 26 -3.106 -2.050 -1.986 1.00 61.30 C ATOM 414 O LEU A 26 -2.200 -2.737 -1.567 1.00 63.32 O ATOM 415 CB LEU A 26 -4.465 -1.007 -0.164 1.00 53.22 C ATOM 416 CG LEU A 26 -5.820 -0.628 0.493 1.00 15.21 C ATOM 417 CD1 LEU A 26 -6.503 -1.809 1.167 1.00 54.05 C ATOM 418 CD2 LEU A 26 -5.604 0.488 1.491 1.00 75.32 C ATOM 0 H LEU A 26 -4.048 -3.707 -0.078 1.00 5.13 H new ATOM 0 HA LEU A 26 -5.251 -1.804 -1.997 1.00 12.31 H new ATOM 0 HB2 LEU A 26 -3.804 -1.364 0.625 1.00 53.22 H new ATOM 0 HB3 LEU A 26 -4.023 -0.093 -0.561 1.00 53.22 H new ATOM 0 HG LEU A 26 -6.485 -0.297 -0.305 1.00 15.21 H new ATOM 0 HD11 LEU A 26 -7.445 -1.482 1.608 1.00 54.05 H new ATOM 0 HD12 LEU A 26 -6.699 -2.586 0.428 1.00 54.05 H new ATOM 0 HD13 LEU A 26 -5.855 -2.206 1.949 1.00 54.05 H new ATOM 0 HD21 LEU A 26 -6.556 0.753 1.952 1.00 75.32 H new ATOM 0 HD22 LEU A 26 -4.908 0.157 2.262 1.00 75.32 H new ATOM 0 HD23 LEU A 26 -5.193 1.359 0.980 1.00 75.32 H new ATOM 430 N LYS A 27 -2.990 -1.334 -3.059 1.00 63.43 N ATOM 431 CA LYS A 27 -1.732 -1.202 -3.751 1.00 55.31 C ATOM 432 C LYS A 27 -1.467 0.269 -4.024 1.00 14.44 C ATOM 433 O LYS A 27 -2.205 0.907 -4.727 1.00 5.23 O ATOM 434 CB LYS A 27 -1.733 -2.066 -5.037 1.00 3.25 C ATOM 435 CG LYS A 27 -0.511 -1.905 -5.925 1.00 62.42 C ATOM 436 CD LYS A 27 -0.479 -2.924 -7.080 1.00 74.02 C ATOM 437 CE LYS A 27 -1.755 -2.941 -7.896 1.00 50.53 C ATOM 438 NZ LYS A 27 -1.671 -3.887 -9.033 1.00 30.13 N ATOM 0 H LYS A 27 -3.761 -0.821 -3.486 1.00 63.43 H new ATOM 0 HA LYS A 27 -0.916 -1.575 -3.132 1.00 55.31 H new ATOM 0 HB2 LYS A 27 -1.819 -3.114 -4.751 1.00 3.25 H new ATOM 0 HB3 LYS A 27 -2.621 -1.821 -5.620 1.00 3.25 H new ATOM 0 HG2 LYS A 27 -0.495 -0.895 -6.336 1.00 62.42 H new ATOM 0 HG3 LYS A 27 0.390 -2.017 -5.321 1.00 62.42 H new ATOM 0 HD2 LYS A 27 0.361 -2.694 -7.736 1.00 74.02 H new ATOM 0 HD3 LYS A 27 -0.302 -3.920 -6.673 1.00 74.02 H new ATOM 0 HE2 LYS A 27 -2.592 -3.217 -7.255 1.00 50.53 H new ATOM 0 HE3 LYS A 27 -1.959 -1.938 -8.272 1.00 50.53 H new ATOM 0 HZ1 LYS A 27 -2.564 -3.869 -9.566 1.00 30.13 H new ATOM 0 HZ2 LYS A 27 -0.888 -3.609 -9.659 1.00 30.13 H new ATOM 0 HZ3 LYS A 27 -1.502 -4.848 -8.673 1.00 30.13 H new ATOM 452 N ILE A 28 -0.405 0.773 -3.476 1.00 21.01 N ATOM 453 CA ILE A 28 -0.113 2.184 -3.525 1.00 15.00 C ATOM 454 C ILE A 28 0.969 2.463 -4.550 1.00 50.20 C ATOM 455 O ILE A 28 2.094 1.972 -4.432 1.00 5.10 O ATOM 456 CB ILE A 28 0.381 2.695 -2.142 1.00 55.22 C ATOM 457 CG1 ILE A 28 -0.621 2.326 -1.036 1.00 72.53 C ATOM 458 CG2 ILE A 28 0.585 4.204 -2.185 1.00 31.01 C ATOM 459 CD1 ILE A 28 -0.210 2.777 0.351 1.00 52.23 C ATOM 0 H ILE A 28 0.292 0.219 -2.978 1.00 21.01 H new ATOM 0 HA ILE A 28 -1.032 2.701 -3.800 1.00 15.00 H new ATOM 0 HB ILE A 28 1.333 2.214 -1.916 1.00 55.22 H new ATOM 0 HG12 ILE A 28 -1.589 2.766 -1.277 1.00 72.53 H new ATOM 0 HG13 ILE A 28 -0.755 1.244 -1.029 1.00 72.53 H new ATOM 0 HG21 ILE A 28 0.931 4.552 -1.212 1.00 31.01 H new ATOM 0 HG22 ILE A 28 1.328 4.449 -2.943 1.00 31.01 H new ATOM 0 HG23 ILE A 28 -0.358 4.692 -2.431 1.00 31.01 H new ATOM 0 HD11 ILE A 28 -0.971 2.477 1.071 1.00 52.23 H new ATOM 0 HD12 ILE A 28 0.742 2.317 0.616 1.00 52.23 H new ATOM 0 HD13 ILE A 28 -0.105 3.862 0.365 1.00 52.23 H new ATOM 471 N LEU A 29 0.630 3.229 -5.547 1.00 43.03 N ATOM 472 CA LEU A 29 1.565 3.623 -6.565 1.00 62.52 C ATOM 473 C LEU A 29 1.874 5.093 -6.424 1.00 43.42 C ATOM 474 O LEU A 29 0.976 5.908 -6.185 1.00 74.03 O ATOM 475 CB LEU A 29 1.063 3.332 -8.011 1.00 13.12 C ATOM 476 CG LEU A 29 0.849 1.858 -8.433 1.00 5.21 C ATOM 477 CD1 LEU A 29 -0.330 1.220 -7.724 1.00 35.14 C ATOM 478 CD2 LEU A 29 0.694 1.744 -9.941 1.00 64.24 C ATOM 0 H LEU A 29 -0.310 3.601 -5.679 1.00 43.03 H new ATOM 0 HA LEU A 29 2.463 3.023 -6.417 1.00 62.52 H new ATOM 0 HB2 LEU A 29 0.117 3.857 -8.146 1.00 13.12 H new ATOM 0 HB3 LEU A 29 1.776 3.776 -8.706 1.00 13.12 H new ATOM 0 HG LEU A 29 1.741 1.309 -8.130 1.00 5.21 H new ATOM 0 HD11 LEU A 29 -0.438 0.187 -8.055 1.00 35.14 H new ATOM 0 HD12 LEU A 29 -0.162 1.241 -6.647 1.00 35.14 H new ATOM 0 HD13 LEU A 29 -1.239 1.773 -7.960 1.00 35.14 H new ATOM 0 HD21 LEU A 29 0.545 0.699 -10.213 1.00 64.24 H new ATOM 0 HD22 LEU A 29 -0.167 2.330 -10.264 1.00 64.24 H new ATOM 0 HD23 LEU A 29 1.593 2.121 -10.429 1.00 64.24 H new ATOM 490 N ASN A 30 3.120 5.424 -6.545 1.00 15.02 N ATOM 491 CA ASN A 30 3.547 6.792 -6.481 1.00 74.31 C ATOM 492 C ASN A 30 4.065 7.148 -7.848 1.00 34.14 C ATOM 493 O ASN A 30 5.075 6.606 -8.297 1.00 23.34 O ATOM 494 CB ASN A 30 4.656 6.942 -5.437 1.00 72.10 C ATOM 495 CG ASN A 30 5.056 8.390 -5.088 1.00 41.21 C ATOM 496 OD1 ASN A 30 4.939 9.323 -6.004 1.00 50.52 O flip ATOM 497 ND2 ASN A 30 5.476 8.651 -3.966 1.00 3.03 N flip ATOM 0 H ASN A 30 3.875 4.754 -6.692 1.00 15.02 H new ATOM 0 HA ASN A 30 2.727 7.450 -6.193 1.00 74.31 H new ATOM 0 HB2 ASN A 30 4.338 6.442 -4.522 1.00 72.10 H new ATOM 0 HB3 ASN A 30 5.541 6.417 -5.796 1.00 72.10 H new ATOM 0 HD21 ASN A 30 5.560 7.912 -3.268 1.00 3.03 H new ATOM 0 HD22 ASN A 30 5.742 9.607 -3.731 1.00 3.03 H new ATOM 504 N THR A 31 3.381 8.012 -8.521 1.00 64.21 N ATOM 505 CA THR A 31 3.774 8.391 -9.841 1.00 20.32 C ATOM 506 C THR A 31 4.308 9.818 -9.815 1.00 64.51 C ATOM 507 O THR A 31 4.075 10.544 -8.843 1.00 43.20 O ATOM 508 CB THR A 31 2.589 8.276 -10.837 1.00 64.14 C ATOM 509 OG1 THR A 31 1.510 9.152 -10.456 1.00 71.22 O ATOM 510 CG2 THR A 31 2.067 6.840 -10.914 1.00 55.01 C ATOM 0 H THR A 31 2.539 8.474 -8.177 1.00 64.21 H new ATOM 0 HA THR A 31 4.556 7.712 -10.181 1.00 20.32 H new ATOM 0 HB THR A 31 2.963 8.570 -11.818 1.00 64.14 H new ATOM 0 HG1 THR A 31 1.049 9.472 -11.260 1.00 71.22 H new ATOM 0 HG21 THR A 31 1.238 6.792 -11.620 1.00 55.01 H new ATOM 0 HG22 THR A 31 2.867 6.180 -11.249 1.00 55.01 H new ATOM 0 HG23 THR A 31 1.724 6.524 -9.929 1.00 55.01 H new ATOM 518 N PRO A 32 5.045 10.255 -10.845 1.00 4.42 N ATOM 519 CA PRO A 32 5.549 11.634 -10.920 1.00 23.15 C ATOM 520 C PRO A 32 4.432 12.647 -11.282 1.00 42.12 C ATOM 521 O PRO A 32 4.711 13.773 -11.694 1.00 3.35 O ATOM 522 CB PRO A 32 6.600 11.575 -12.051 1.00 2.31 C ATOM 523 CG PRO A 32 6.776 10.120 -12.363 1.00 41.41 C ATOM 524 CD PRO A 32 5.488 9.457 -11.995 1.00 62.04 C ATOM 0 HA PRO A 32 5.949 11.972 -9.964 1.00 23.15 H new ATOM 0 HB2 PRO A 32 6.262 12.126 -12.929 1.00 2.31 H new ATOM 0 HB3 PRO A 32 7.541 12.025 -11.735 1.00 2.31 H new ATOM 0 HG2 PRO A 32 7.002 9.973 -13.419 1.00 41.41 H new ATOM 0 HG3 PRO A 32 7.607 9.698 -11.797 1.00 41.41 H new ATOM 0 HD2 PRO A 32 4.767 9.486 -12.812 1.00 62.04 H new ATOM 0 HD3 PRO A 32 5.630 8.409 -11.732 1.00 62.04 H new ATOM 532 N ASN A 33 3.177 12.233 -11.120 1.00 74.54 N ATOM 533 CA ASN A 33 2.033 13.093 -11.435 1.00 41.44 C ATOM 534 C ASN A 33 1.042 13.132 -10.265 1.00 1.20 C ATOM 535 O ASN A 33 0.405 14.151 -10.019 1.00 55.02 O ATOM 536 CB ASN A 33 1.317 12.608 -12.698 1.00 13.20 C ATOM 537 CG ASN A 33 0.196 13.541 -13.158 1.00 61.25 C ATOM 538 OD1 ASN A 33 -0.815 13.093 -13.695 1.00 73.33 O ATOM 539 ND2 ASN A 33 0.389 14.831 -13.004 1.00 2.13 N ATOM 0 H ASN A 33 2.924 11.308 -10.773 1.00 74.54 H new ATOM 0 HA ASN A 33 2.415 14.099 -11.610 1.00 41.44 H new ATOM 0 HB2 ASN A 33 2.045 12.504 -13.502 1.00 13.20 H new ATOM 0 HB3 ASN A 33 0.902 11.617 -12.513 1.00 13.20 H new ATOM 0 HD21 ASN A 33 -0.312 15.495 -13.334 1.00 2.13 H new ATOM 0 HD22 ASN A 33 1.240 15.169 -12.554 1.00 2.13 H new ATOM 546 N CYS A 34 0.931 12.035 -9.540 1.00 31.30 N ATOM 547 CA CYS A 34 0.040 11.970 -8.395 1.00 14.52 C ATOM 548 C CYS A 34 0.823 11.556 -7.166 1.00 1.12 C ATOM 549 O CYS A 34 1.657 10.650 -7.232 1.00 14.43 O ATOM 550 CB CYS A 34 -1.146 11.006 -8.645 1.00 63.14 C ATOM 551 SG CYS A 34 -2.357 11.573 -9.889 1.00 1.51 S ATOM 0 H CYS A 34 1.447 11.175 -9.723 1.00 31.30 H new ATOM 0 HA CYS A 34 -0.384 12.961 -8.234 1.00 14.52 H new ATOM 0 HB2 CYS A 34 -0.749 10.041 -8.960 1.00 63.14 H new ATOM 0 HB3 CYS A 34 -1.667 10.843 -7.701 1.00 63.14 H new ATOM 556 N ALA A 35 0.536 12.226 -6.061 1.00 62.31 N ATOM 557 CA ALA A 35 1.246 12.072 -4.793 1.00 3.10 C ATOM 558 C ALA A 35 1.240 10.636 -4.269 1.00 45.24 C ATOM 559 O ALA A 35 2.268 9.960 -4.240 1.00 11.13 O ATOM 560 CB ALA A 35 0.615 12.990 -3.777 1.00 35.32 C ATOM 0 H ALA A 35 -0.218 12.912 -6.016 1.00 62.31 H new ATOM 0 HA ALA A 35 2.291 12.331 -4.964 1.00 3.10 H new ATOM 0 HB1 ALA A 35 1.133 12.888 -2.823 1.00 35.32 H new ATOM 0 HB2 ALA A 35 0.690 14.021 -4.122 1.00 35.32 H new ATOM 0 HB3 ALA A 35 -0.435 12.725 -3.650 1.00 35.32 H new ATOM 566 N CYS A 36 0.104 10.197 -3.841 1.00 12.45 N ATOM 567 CA CYS A 36 -0.040 8.874 -3.329 1.00 1.12 C ATOM 568 C CYS A 36 -1.316 8.341 -3.941 1.00 72.31 C ATOM 569 O CYS A 36 -2.348 8.998 -3.873 1.00 44.15 O ATOM 570 CB CYS A 36 -0.115 8.932 -1.775 1.00 41.01 C ATOM 571 SG CYS A 36 0.029 7.323 -0.917 1.00 14.04 S ATOM 0 H CYS A 36 -0.755 10.747 -3.836 1.00 12.45 H new ATOM 0 HA CYS A 36 0.799 8.224 -3.578 1.00 1.12 H new ATOM 0 HB2 CYS A 36 0.678 9.588 -1.415 1.00 41.01 H new ATOM 0 HB3 CYS A 36 -1.062 9.391 -1.492 1.00 41.01 H new ATOM 576 N GLN A 37 -1.251 7.221 -4.596 1.00 11.32 N ATOM 577 CA GLN A 37 -2.417 6.704 -5.277 1.00 24.32 C ATOM 578 C GLN A 37 -2.625 5.270 -4.885 1.00 33.34 C ATOM 579 O GLN A 37 -1.742 4.446 -5.077 1.00 33.01 O ATOM 580 CB GLN A 37 -2.225 6.803 -6.796 1.00 33.03 C ATOM 581 CG GLN A 37 -3.512 6.610 -7.577 1.00 3.44 C ATOM 582 CD GLN A 37 -4.525 7.699 -7.253 1.00 54.23 C ATOM 583 OE1 GLN A 37 -5.729 7.483 -7.298 1.00 72.44 O ATOM 584 NE2 GLN A 37 -4.035 8.872 -6.932 1.00 1.41 N ATOM 0 H GLN A 37 -0.413 6.645 -4.678 1.00 11.32 H new ATOM 0 HA GLN A 37 -3.290 7.291 -4.993 1.00 24.32 H new ATOM 0 HB2 GLN A 37 -1.803 7.778 -7.039 1.00 33.03 H new ATOM 0 HB3 GLN A 37 -1.500 6.054 -7.113 1.00 33.03 H new ATOM 0 HG2 GLN A 37 -3.296 6.618 -8.645 1.00 3.44 H new ATOM 0 HG3 GLN A 37 -3.938 5.634 -7.345 1.00 3.44 H new ATOM 0 HE21 GLN A 37 -3.025 9.013 -6.905 1.00 1.41 H new ATOM 0 HE22 GLN A 37 -4.664 9.644 -6.709 1.00 1.41 H new ATOM 593 N ILE A 38 -3.771 4.962 -4.348 1.00 33.11 N ATOM 594 CA ILE A 38 -4.010 3.622 -3.905 1.00 74.41 C ATOM 595 C ILE A 38 -4.984 2.931 -4.847 1.00 42.11 C ATOM 596 O ILE A 38 -6.083 3.413 -5.073 1.00 22.21 O ATOM 597 CB ILE A 38 -4.582 3.583 -2.471 1.00 44.22 C ATOM 598 CG1 ILE A 38 -3.787 4.531 -1.554 1.00 51.23 C ATOM 599 CG2 ILE A 38 -4.482 2.159 -1.932 1.00 0.23 C ATOM 600 CD1 ILE A 38 -4.217 4.500 -0.102 1.00 51.23 C ATOM 0 H ILE A 38 -4.544 5.612 -4.208 1.00 33.11 H new ATOM 0 HA ILE A 38 -3.051 3.103 -3.905 1.00 74.41 H new ATOM 0 HB ILE A 38 -5.624 3.903 -2.493 1.00 44.22 H new ATOM 0 HG12 ILE A 38 -2.730 4.273 -1.613 1.00 51.23 H new ATOM 0 HG13 ILE A 38 -3.888 5.550 -1.929 1.00 51.23 H new ATOM 0 HG21 ILE A 38 -4.884 2.124 -0.920 1.00 0.23 H new ATOM 0 HG22 ILE A 38 -5.053 1.487 -2.573 1.00 0.23 H new ATOM 0 HG23 ILE A 38 -3.438 1.848 -1.918 1.00 0.23 H new ATOM 0 HD11 ILE A 38 -3.606 5.196 0.473 1.00 51.23 H new ATOM 0 HD12 ILE A 38 -5.265 4.789 -0.027 1.00 51.23 H new ATOM 0 HD13 ILE A 38 -4.089 3.493 0.294 1.00 51.23 H new ATOM 612 N VAL A 39 -4.566 1.838 -5.397 1.00 62.23 N ATOM 613 CA VAL A 39 -5.377 1.049 -6.281 1.00 50.32 C ATOM 614 C VAL A 39 -5.601 -0.314 -5.625 1.00 0.35 C ATOM 615 O VAL A 39 -4.654 -0.986 -5.237 1.00 72.03 O ATOM 616 CB VAL A 39 -4.666 0.851 -7.648 1.00 31.10 C ATOM 617 CG1 VAL A 39 -5.554 0.092 -8.624 1.00 21.42 C ATOM 618 CG2 VAL A 39 -4.229 2.196 -8.231 1.00 53.33 C ATOM 0 H VAL A 39 -3.633 1.456 -5.244 1.00 62.23 H new ATOM 0 HA VAL A 39 -6.325 1.557 -6.459 1.00 50.32 H new ATOM 0 HB VAL A 39 -3.772 0.250 -7.480 1.00 31.10 H new ATOM 0 HG11 VAL A 39 -5.030 -0.032 -9.572 1.00 21.42 H new ATOM 0 HG12 VAL A 39 -5.794 -0.888 -8.211 1.00 21.42 H new ATOM 0 HG13 VAL A 39 -6.475 0.651 -8.789 1.00 21.42 H new ATOM 0 HG21 VAL A 39 -3.733 2.034 -9.188 1.00 53.33 H new ATOM 0 HG22 VAL A 39 -5.103 2.830 -8.378 1.00 53.33 H new ATOM 0 HG23 VAL A 39 -3.539 2.684 -7.543 1.00 53.33 H new ATOM 628 N ALA A 40 -6.820 -0.713 -5.503 1.00 14.40 N ATOM 629 CA ALA A 40 -7.154 -1.948 -4.845 1.00 43.23 C ATOM 630 C ALA A 40 -7.958 -2.827 -5.759 1.00 12.11 C ATOM 631 O ALA A 40 -8.789 -2.347 -6.502 1.00 2.10 O ATOM 632 CB ALA A 40 -7.966 -1.650 -3.598 1.00 50.03 C ATOM 0 H ALA A 40 -7.625 -0.195 -5.856 1.00 14.40 H new ATOM 0 HA ALA A 40 -6.232 -2.464 -4.576 1.00 43.23 H new ATOM 0 HB1 ALA A 40 -8.220 -2.584 -3.098 1.00 50.03 H new ATOM 0 HB2 ALA A 40 -7.381 -1.025 -2.924 1.00 50.03 H new ATOM 0 HB3 ALA A 40 -8.881 -1.127 -3.876 1.00 50.03 H new ATOM 638 N ARG A 41 -7.722 -4.108 -5.727 1.00 3.54 N ATOM 639 CA ARG A 41 -8.552 -4.976 -6.503 1.00 62.11 C ATOM 640 C ARG A 41 -9.617 -5.553 -5.628 1.00 20.24 C ATOM 641 O ARG A 41 -9.346 -6.026 -4.505 1.00 21.11 O ATOM 642 CB ARG A 41 -7.825 -6.065 -7.293 1.00 42.44 C ATOM 643 CG ARG A 41 -6.790 -5.558 -8.277 1.00 64.42 C ATOM 644 CD ARG A 41 -6.391 -6.658 -9.255 1.00 14.11 C ATOM 645 NE ARG A 41 -7.493 -7.017 -10.180 1.00 65.25 N ATOM 646 CZ ARG A 41 -7.524 -8.100 -10.993 1.00 53.34 C ATOM 647 NH1 ARG A 41 -6.543 -9.002 -10.965 1.00 3.11 N ATOM 648 NH2 ARG A 41 -8.548 -8.275 -11.819 1.00 72.01 N ATOM 0 H ARG A 41 -6.984 -4.562 -5.188 1.00 3.54 H new ATOM 0 HA ARG A 41 -8.989 -4.351 -7.282 1.00 62.11 H new ATOM 0 HB2 ARG A 41 -7.336 -6.739 -6.589 1.00 42.44 H new ATOM 0 HB3 ARG A 41 -8.564 -6.653 -7.837 1.00 42.44 H new ATOM 0 HG2 ARG A 41 -7.189 -4.705 -8.825 1.00 64.42 H new ATOM 0 HG3 ARG A 41 -5.910 -5.207 -7.738 1.00 64.42 H new ATOM 0 HD2 ARG A 41 -5.527 -6.331 -9.833 1.00 14.11 H new ATOM 0 HD3 ARG A 41 -6.085 -7.543 -8.697 1.00 14.11 H new ATOM 0 HE ARG A 41 -8.299 -6.393 -10.206 1.00 65.25 H new ATOM 0 HH11 ARG A 41 -5.757 -8.881 -10.326 1.00 3.11 H new ATOM 0 HH12 ARG A 41 -6.578 -9.813 -11.582 1.00 3.11 H new ATOM 0 HH21 ARG A 41 -9.308 -7.595 -11.840 1.00 72.01 H new ATOM 0 HH22 ARG A 41 -8.575 -9.089 -12.433 1.00 72.01 H new ATOM 662 N LEU A 42 -10.801 -5.470 -6.119 1.00 43.22 N ATOM 663 CA LEU A 42 -12.008 -5.886 -5.453 1.00 53.32 C ATOM 664 C LEU A 42 -11.976 -7.434 -5.358 1.00 13.44 C ATOM 665 O LEU A 42 -11.306 -8.073 -6.190 1.00 11.23 O ATOM 666 CB LEU A 42 -13.151 -5.368 -6.356 1.00 64.13 C ATOM 667 CG LEU A 42 -14.520 -5.097 -5.764 1.00 51.23 C ATOM 668 CD1 LEU A 42 -15.206 -6.357 -5.278 1.00 40.22 C ATOM 669 CD2 LEU A 42 -14.407 -4.054 -4.669 1.00 2.42 C ATOM 0 H LEU A 42 -10.976 -5.090 -7.049 1.00 43.22 H new ATOM 0 HA LEU A 42 -12.131 -5.502 -4.440 1.00 53.32 H new ATOM 0 HB2 LEU A 42 -12.807 -4.441 -6.815 1.00 64.13 H new ATOM 0 HB3 LEU A 42 -13.283 -6.092 -7.160 1.00 64.13 H new ATOM 0 HG LEU A 42 -15.157 -4.705 -6.557 1.00 51.23 H new ATOM 0 HD11 LEU A 42 -16.182 -6.103 -4.864 1.00 40.22 H new ATOM 0 HD12 LEU A 42 -15.334 -7.047 -6.112 1.00 40.22 H new ATOM 0 HD13 LEU A 42 -14.597 -6.829 -4.507 1.00 40.22 H new ATOM 0 HD21 LEU A 42 -15.393 -3.862 -4.246 1.00 2.42 H new ATOM 0 HD22 LEU A 42 -13.741 -4.419 -3.887 1.00 2.42 H new ATOM 0 HD23 LEU A 42 -14.005 -3.131 -5.086 1.00 2.42 H new ATOM 681 N LYS A 43 -12.651 -8.027 -4.332 1.00 75.12 N ATOM 682 CA LYS A 43 -12.663 -9.464 -4.121 1.00 73.13 C ATOM 683 C LYS A 43 -12.927 -10.269 -5.376 1.00 33.42 C ATOM 684 O LYS A 43 -13.601 -9.806 -6.310 1.00 41.24 O ATOM 685 CB LYS A 43 -13.606 -9.795 -3.027 1.00 71.34 C ATOM 686 CG LYS A 43 -13.261 -9.037 -1.778 1.00 14.02 C ATOM 687 CD LYS A 43 -14.128 -9.411 -0.649 1.00 70.15 C ATOM 688 CE LYS A 43 -15.604 -9.173 -0.932 1.00 60.14 C ATOM 689 NZ LYS A 43 -16.434 -9.478 0.248 1.00 72.52 N ATOM 0 H LYS A 43 -13.193 -7.505 -3.643 1.00 75.12 H new ATOM 0 HA LYS A 43 -11.656 -9.758 -3.825 1.00 73.13 H new ATOM 0 HB2 LYS A 43 -14.624 -9.555 -3.334 1.00 71.34 H new ATOM 0 HB3 LYS A 43 -13.577 -10.866 -2.827 1.00 71.34 H new ATOM 0 HG2 LYS A 43 -12.221 -9.227 -1.514 1.00 14.02 H new ATOM 0 HG3 LYS A 43 -13.352 -7.967 -1.966 1.00 14.02 H new ATOM 0 HD2 LYS A 43 -13.974 -10.464 -0.412 1.00 70.15 H new ATOM 0 HD3 LYS A 43 -13.835 -8.840 0.232 1.00 70.15 H new ATOM 0 HE2 LYS A 43 -15.757 -8.135 -1.228 1.00 60.14 H new ATOM 0 HE3 LYS A 43 -15.920 -9.793 -1.771 1.00 60.14 H new ATOM 0 HZ1 LYS A 43 -17.435 -9.306 0.023 1.00 72.52 H new ATOM 0 HZ2 LYS A 43 -16.306 -10.475 0.514 1.00 72.52 H new ATOM 0 HZ3 LYS A 43 -16.148 -8.869 1.041 1.00 72.52 H new ATOM 745 N ARG A 47 -13.526 -5.781 -10.128 1.00 43.44 N ATOM 746 CA ARG A 47 -12.947 -4.626 -10.746 1.00 65.01 C ATOM 747 C ARG A 47 -11.807 -4.151 -9.898 1.00 53.04 C ATOM 748 O ARG A 47 -11.560 -4.695 -8.815 1.00 50.02 O ATOM 749 CB ARG A 47 -13.971 -3.512 -10.863 1.00 24.43 C ATOM 750 CG ARG A 47 -14.512 -3.053 -9.543 1.00 62.24 C ATOM 751 CD ARG A 47 -15.450 -1.897 -9.713 1.00 43.53 C ATOM 752 NE ARG A 47 -14.781 -0.657 -10.185 1.00 33.51 N ATOM 753 CZ ARG A 47 -14.999 0.598 -9.688 1.00 51.43 C ATOM 754 NH1 ARG A 47 -15.920 0.805 -8.746 1.00 14.04 N ATOM 755 NH2 ARG A 47 -14.300 1.629 -10.147 1.00 12.25 N ATOM 0 HA ARG A 47 -12.602 -4.892 -11.745 1.00 65.01 H new ATOM 0 HB2 ARG A 47 -13.516 -2.664 -11.374 1.00 24.43 H new ATOM 0 HB3 ARG A 47 -14.798 -3.854 -11.486 1.00 24.43 H new ATOM 0 HG2 ARG A 47 -15.031 -3.877 -9.054 1.00 62.24 H new ATOM 0 HG3 ARG A 47 -13.688 -2.763 -8.891 1.00 62.24 H new ATOM 0 HD2 ARG A 47 -16.230 -2.173 -10.423 1.00 43.53 H new ATOM 0 HD3 ARG A 47 -15.942 -1.696 -8.762 1.00 43.53 H new ATOM 0 HE ARG A 47 -14.104 -0.750 -10.942 1.00 33.51 H new ATOM 0 HH11 ARG A 47 -16.470 0.023 -8.390 1.00 14.04 H new ATOM 0 HH12 ARG A 47 -16.075 1.745 -8.382 1.00 14.04 H new ATOM 0 HH21 ARG A 47 -13.598 1.486 -10.873 1.00 12.25 H new ATOM 0 HH22 ARG A 47 -14.465 2.564 -9.774 1.00 12.25 H new ATOM 769 N GLN A 48 -11.100 -3.177 -10.357 1.00 12.43 N ATOM 770 CA GLN A 48 -10.126 -2.580 -9.523 1.00 62.33 C ATOM 771 C GLN A 48 -10.630 -1.219 -9.144 1.00 0.21 C ATOM 772 O GLN A 48 -11.090 -0.453 -10.001 1.00 64.12 O ATOM 773 CB GLN A 48 -8.702 -2.532 -10.149 1.00 35.34 C ATOM 774 CG GLN A 48 -8.506 -1.639 -11.382 1.00 13.23 C ATOM 775 CD GLN A 48 -9.287 -2.070 -12.613 1.00 15.33 C ATOM 776 OE1 GLN A 48 -9.546 -3.249 -12.822 1.00 21.24 O ATOM 777 NE2 GLN A 48 -9.666 -1.123 -13.431 1.00 12.12 N ATOM 0 H GLN A 48 -11.179 -2.783 -11.295 1.00 12.43 H new ATOM 0 HA GLN A 48 -9.994 -3.199 -8.636 1.00 62.33 H new ATOM 0 HB2 GLN A 48 -8.006 -2.201 -9.379 1.00 35.34 H new ATOM 0 HB3 GLN A 48 -8.418 -3.549 -10.420 1.00 35.34 H new ATOM 0 HG2 GLN A 48 -8.795 -0.620 -11.124 1.00 13.23 H new ATOM 0 HG3 GLN A 48 -7.445 -1.616 -11.632 1.00 13.23 H new ATOM 0 HE21 GLN A 48 -9.434 -0.151 -13.228 1.00 12.12 H new ATOM 0 HE22 GLN A 48 -10.194 -1.357 -14.272 1.00 12.12 H new ATOM 786 N VAL A 49 -10.582 -0.927 -7.894 1.00 41.13 N ATOM 787 CA VAL A 49 -11.067 0.313 -7.404 1.00 3.23 C ATOM 788 C VAL A 49 -9.927 1.123 -6.858 1.00 21.34 C ATOM 789 O VAL A 49 -9.021 0.593 -6.233 1.00 3.20 O ATOM 790 CB VAL A 49 -12.218 0.167 -6.344 1.00 11.34 C ATOM 791 CG1 VAL A 49 -13.432 -0.472 -6.947 1.00 25.41 C ATOM 792 CG2 VAL A 49 -11.818 -0.627 -5.120 1.00 54.34 C ATOM 0 H VAL A 49 -10.203 -1.546 -7.177 1.00 41.13 H new ATOM 0 HA VAL A 49 -11.517 0.834 -8.249 1.00 3.23 H new ATOM 0 HB VAL A 49 -12.440 1.186 -6.026 1.00 11.34 H new ATOM 0 HG11 VAL A 49 -14.211 -0.560 -6.190 1.00 25.41 H new ATOM 0 HG12 VAL A 49 -13.795 0.142 -7.771 1.00 25.41 H new ATOM 0 HG13 VAL A 49 -13.174 -1.464 -7.319 1.00 25.41 H new ATOM 0 HG21 VAL A 49 -12.662 -0.686 -4.433 1.00 54.34 H new ATOM 0 HG22 VAL A 49 -11.522 -1.633 -5.419 1.00 54.34 H new ATOM 0 HG23 VAL A 49 -10.981 -0.135 -4.625 1.00 54.34 H new ATOM 802 N CYS A 50 -9.965 2.372 -7.093 1.00 43.21 N ATOM 803 CA CYS A 50 -8.923 3.235 -6.661 1.00 32.40 C ATOM 804 C CYS A 50 -9.421 3.958 -5.460 1.00 40.51 C ATOM 805 O CYS A 50 -10.515 4.437 -5.464 1.00 75.44 O ATOM 806 CB CYS A 50 -8.596 4.228 -7.772 1.00 55.21 C ATOM 807 SG CYS A 50 -8.176 3.445 -9.370 1.00 2.05 S ATOM 0 H CYS A 50 -10.722 2.838 -7.594 1.00 43.21 H new ATOM 0 HA CYS A 50 -8.019 2.675 -6.423 1.00 32.40 H new ATOM 0 HB2 CYS A 50 -9.450 4.890 -7.917 1.00 55.21 H new ATOM 0 HB3 CYS A 50 -7.760 4.851 -7.454 1.00 55.21 H new ATOM 812 N ILE A 51 -8.648 4.003 -4.437 1.00 64.50 N ATOM 813 CA ILE A 51 -9.058 4.648 -3.228 1.00 43.35 C ATOM 814 C ILE A 51 -8.217 5.821 -2.924 1.00 60.44 C ATOM 815 O ILE A 51 -7.013 5.840 -3.231 1.00 5.43 O ATOM 816 CB ILE A 51 -9.201 3.723 -1.965 1.00 43.45 C ATOM 817 CG1 ILE A 51 -7.987 2.831 -1.659 1.00 13.35 C ATOM 818 CG2 ILE A 51 -10.407 2.881 -2.067 1.00 21.14 C ATOM 819 CD1 ILE A 51 -7.745 1.708 -2.657 1.00 52.24 C ATOM 0 H ILE A 51 -7.713 3.597 -4.406 1.00 64.50 H new ATOM 0 HA ILE A 51 -10.075 4.972 -3.446 1.00 43.35 H new ATOM 0 HB ILE A 51 -9.279 4.420 -1.131 1.00 43.45 H new ATOM 0 HG12 ILE A 51 -7.096 3.458 -1.617 1.00 13.35 H new ATOM 0 HG13 ILE A 51 -8.116 2.395 -0.669 1.00 13.35 H new ATOM 0 HG21 ILE A 51 -10.486 2.249 -1.182 1.00 21.14 H new ATOM 0 HG22 ILE A 51 -11.290 3.517 -2.139 1.00 21.14 H new ATOM 0 HG23 ILE A 51 -10.339 2.254 -2.956 1.00 21.14 H new ATOM 0 HD11 ILE A 51 -6.868 1.136 -2.355 1.00 52.24 H new ATOM 0 HD12 ILE A 51 -8.615 1.052 -2.684 1.00 52.24 H new ATOM 0 HD13 ILE A 51 -7.579 2.131 -3.648 1.00 52.24 H new ATOM 831 N ASP A 52 -8.837 6.815 -2.351 1.00 41.54 N ATOM 832 CA ASP A 52 -8.120 8.012 -1.997 1.00 52.31 C ATOM 833 C ASP A 52 -7.233 7.722 -0.801 1.00 42.21 C ATOM 834 O ASP A 52 -7.667 7.087 0.143 1.00 43.24 O ATOM 835 CB ASP A 52 -9.081 9.157 -1.685 1.00 52.42 C ATOM 836 CG ASP A 52 -8.361 10.458 -1.422 1.00 31.00 C ATOM 837 OD1 ASP A 52 -7.951 11.132 -2.390 1.00 44.31 O ATOM 838 OD2 ASP A 52 -8.201 10.824 -0.266 1.00 20.42 O ATOM 0 H ASP A 52 -9.830 6.822 -2.120 1.00 41.54 H new ATOM 0 HA ASP A 52 -7.506 8.321 -2.843 1.00 52.31 H new ATOM 0 HB2 ASP A 52 -9.769 9.288 -2.520 1.00 52.42 H new ATOM 0 HB3 ASP A 52 -9.683 8.896 -0.815 1.00 52.42 H new ATOM 843 N PRO A 53 -5.979 8.143 -0.837 1.00 21.13 N ATOM 844 CA PRO A 53 -5.042 7.912 0.268 1.00 61.45 C ATOM 845 C PRO A 53 -5.437 8.644 1.551 1.00 15.41 C ATOM 846 O PRO A 53 -4.947 8.334 2.639 1.00 73.23 O ATOM 847 CB PRO A 53 -3.722 8.447 -0.264 1.00 10.11 C ATOM 848 CG PRO A 53 -4.071 9.355 -1.379 1.00 33.21 C ATOM 849 CD PRO A 53 -5.350 8.849 -1.958 1.00 35.34 C ATOM 0 HA PRO A 53 -5.011 6.859 0.549 1.00 61.45 H new ATOM 0 HB2 PRO A 53 -3.174 8.978 0.514 1.00 10.11 H new ATOM 0 HB3 PRO A 53 -3.082 7.635 -0.608 1.00 10.11 H new ATOM 0 HG2 PRO A 53 -4.185 10.379 -1.023 1.00 33.21 H new ATOM 0 HG3 PRO A 53 -3.282 9.365 -2.131 1.00 33.21 H new ATOM 0 HD2 PRO A 53 -5.976 9.664 -2.321 1.00 35.34 H new ATOM 0 HD3 PRO A 53 -5.172 8.183 -2.803 1.00 35.34 H new ATOM 857 N LYS A 54 -6.325 9.594 1.423 1.00 4.32 N ATOM 858 CA LYS A 54 -6.760 10.354 2.529 1.00 4.12 C ATOM 859 C LYS A 54 -8.199 9.966 2.897 1.00 2.32 C ATOM 860 O LYS A 54 -8.798 10.563 3.754 1.00 54.32 O ATOM 861 CB LYS A 54 -6.670 11.825 2.164 1.00 24.53 C ATOM 862 CG LYS A 54 -5.284 12.258 1.696 1.00 0.45 C ATOM 863 CD LYS A 54 -5.273 13.699 1.231 1.00 45.22 C ATOM 864 CE LYS A 54 -5.681 14.639 2.338 1.00 4.21 C ATOM 865 NZ LYS A 54 -5.664 16.043 1.897 1.00 40.01 N ATOM 0 H LYS A 54 -6.760 9.852 0.537 1.00 4.32 H new ATOM 0 HA LYS A 54 -6.130 10.158 3.397 1.00 4.12 H new ATOM 0 HB2 LYS A 54 -7.393 12.040 1.377 1.00 24.53 H new ATOM 0 HB3 LYS A 54 -6.955 12.423 3.030 1.00 24.53 H new ATOM 0 HG2 LYS A 54 -4.570 12.133 2.510 1.00 0.45 H new ATOM 0 HG3 LYS A 54 -4.956 11.611 0.882 1.00 0.45 H new ATOM 0 HD2 LYS A 54 -4.275 13.961 0.878 1.00 45.22 H new ATOM 0 HD3 LYS A 54 -5.951 13.815 0.385 1.00 45.22 H new ATOM 0 HE2 LYS A 54 -6.681 14.379 2.685 1.00 4.21 H new ATOM 0 HE3 LYS A 54 -5.007 14.516 3.186 1.00 4.21 H new ATOM 0 HZ1 LYS A 54 -5.950 16.658 2.685 1.00 40.01 H new ATOM 0 HZ2 LYS A 54 -4.704 16.299 1.589 1.00 40.01 H new ATOM 0 HZ3 LYS A 54 -6.326 16.166 1.104 1.00 40.01 H new ATOM 879 N LEU A 55 -8.728 8.947 2.234 1.00 74.40 N ATOM 880 CA LEU A 55 -10.070 8.444 2.466 1.00 72.32 C ATOM 881 C LEU A 55 -10.209 8.079 3.964 1.00 25.25 C ATOM 882 O LEU A 55 -9.278 7.546 4.552 1.00 63.23 O ATOM 883 CB LEU A 55 -10.215 7.200 1.609 1.00 15.52 C ATOM 884 CG LEU A 55 -11.589 6.753 1.174 1.00 53.24 C ATOM 885 CD1 LEU A 55 -11.457 5.505 0.323 1.00 61.03 C ATOM 886 CD2 LEU A 55 -12.534 6.514 2.329 1.00 73.14 C ATOM 0 H LEU A 55 -8.225 8.439 1.507 1.00 74.40 H new ATOM 0 HA LEU A 55 -10.835 9.178 2.214 1.00 72.32 H new ATOM 0 HB2 LEU A 55 -9.621 7.353 0.708 1.00 15.52 H new ATOM 0 HB3 LEU A 55 -9.760 6.373 2.154 1.00 15.52 H new ATOM 0 HG LEU A 55 -12.029 7.563 0.593 1.00 53.24 H new ATOM 0 HD11 LEU A 55 -12.446 5.175 0.005 1.00 61.03 H new ATOM 0 HD12 LEU A 55 -10.848 5.725 -0.554 1.00 61.03 H new ATOM 0 HD13 LEU A 55 -10.982 4.716 0.906 1.00 61.03 H new ATOM 0 HD21 LEU A 55 -13.503 6.195 1.946 1.00 73.14 H new ATOM 0 HD22 LEU A 55 -12.127 5.738 2.978 1.00 73.14 H new ATOM 0 HD23 LEU A 55 -12.654 7.436 2.898 1.00 73.14 H new ATOM 898 N LYS A 56 -11.364 8.353 4.558 1.00 72.51 N ATOM 899 CA LYS A 56 -11.565 8.141 5.990 1.00 55.11 C ATOM 900 C LYS A 56 -11.255 6.718 6.522 1.00 72.40 C ATOM 901 O LYS A 56 -10.611 6.593 7.562 1.00 34.33 O ATOM 902 CB LYS A 56 -12.889 8.692 6.481 1.00 10.05 C ATOM 903 CG LYS A 56 -13.075 8.522 7.975 1.00 32.54 C ATOM 904 CD LYS A 56 -14.112 9.456 8.519 1.00 4.03 C ATOM 905 CE LYS A 56 -15.485 9.251 7.891 1.00 21.20 C ATOM 906 NZ LYS A 56 -16.453 10.254 8.368 1.00 24.22 N ATOM 0 H LYS A 56 -12.179 8.724 4.070 1.00 72.51 H new ATOM 0 HA LYS A 56 -10.779 8.741 6.449 1.00 55.11 H new ATOM 0 HB2 LYS A 56 -12.953 9.751 6.229 1.00 10.05 H new ATOM 0 HB3 LYS A 56 -13.703 8.190 5.958 1.00 10.05 H new ATOM 0 HG2 LYS A 56 -13.364 7.493 8.190 1.00 32.54 H new ATOM 0 HG3 LYS A 56 -12.126 8.699 8.481 1.00 32.54 H new ATOM 0 HD2 LYS A 56 -14.188 9.318 9.598 1.00 4.03 H new ATOM 0 HD3 LYS A 56 -13.791 10.484 8.351 1.00 4.03 H new ATOM 0 HE2 LYS A 56 -15.402 9.311 6.806 1.00 21.20 H new ATOM 0 HE3 LYS A 56 -15.849 8.251 8.128 1.00 21.20 H new ATOM 0 HZ1 LYS A 56 -17.377 10.085 7.921 1.00 24.22 H new ATOM 0 HZ2 LYS A 56 -16.550 10.180 9.401 1.00 24.22 H new ATOM 0 HZ3 LYS A 56 -16.117 11.206 8.120 1.00 24.22 H new ATOM 920 N TRP A 57 -11.669 5.649 5.833 1.00 40.43 N ATOM 921 CA TRP A 57 -11.271 4.320 6.336 1.00 50.52 C ATOM 922 C TRP A 57 -9.789 4.085 6.111 1.00 73.23 C ATOM 923 O TRP A 57 -9.158 3.357 6.847 1.00 40.55 O ATOM 924 CB TRP A 57 -12.135 3.114 5.859 1.00 3.32 C ATOM 925 CG TRP A 57 -12.202 2.872 4.392 1.00 62.32 C ATOM 926 CD1 TRP A 57 -13.104 3.386 3.520 1.00 72.24 C ATOM 927 CD2 TRP A 57 -11.349 2.007 3.627 1.00 1.32 C ATOM 928 NE1 TRP A 57 -12.860 2.915 2.264 1.00 55.24 N ATOM 929 CE2 TRP A 57 -11.791 2.064 2.301 1.00 5.14 C ATOM 930 CE3 TRP A 57 -10.249 1.196 3.938 1.00 73.14 C ATOM 931 CZ2 TRP A 57 -11.184 1.343 1.281 1.00 44.43 C ATOM 932 CZ3 TRP A 57 -9.648 0.475 2.920 1.00 24.45 C ATOM 933 CH2 TRP A 57 -10.122 0.559 1.604 1.00 21.45 C ATOM 0 H TRP A 57 -12.238 5.662 4.986 1.00 40.43 H new ATOM 0 HA TRP A 57 -11.476 4.358 7.406 1.00 50.52 H new ATOM 0 HB2 TRP A 57 -11.750 2.212 6.334 1.00 3.32 H new ATOM 0 HB3 TRP A 57 -13.151 3.259 6.226 1.00 3.32 H new ATOM 0 HD1 TRP A 57 -13.899 4.068 3.782 1.00 72.24 H new ATOM 0 HE1 TRP A 57 -13.391 3.159 1.428 1.00 55.24 H new ATOM 0 HE3 TRP A 57 -9.878 1.135 4.950 1.00 73.14 H new ATOM 0 HZ2 TRP A 57 -11.544 1.403 0.265 1.00 44.43 H new ATOM 0 HZ3 TRP A 57 -8.803 -0.160 3.143 1.00 24.45 H new ATOM 0 HH2 TRP A 57 -9.632 -0.012 0.829 1.00 21.45 H new ATOM 944 N ILE A 58 -9.243 4.737 5.096 1.00 63.23 N ATOM 945 CA ILE A 58 -7.815 4.675 4.810 1.00 1.03 C ATOM 946 C ILE A 58 -7.033 5.385 5.938 1.00 14.30 C ATOM 947 O ILE A 58 -5.943 4.950 6.318 1.00 65.31 O ATOM 948 CB ILE A 58 -7.491 5.314 3.421 1.00 43.50 C ATOM 949 CG1 ILE A 58 -8.188 4.539 2.283 1.00 43.35 C ATOM 950 CG2 ILE A 58 -5.991 5.364 3.177 1.00 32.42 C ATOM 951 CD1 ILE A 58 -7.702 3.132 2.119 1.00 40.53 C ATOM 0 H ILE A 58 -9.773 5.322 4.449 1.00 63.23 H new ATOM 0 HA ILE A 58 -7.509 3.630 4.767 1.00 1.03 H new ATOM 0 HB ILE A 58 -7.872 6.335 3.432 1.00 43.50 H new ATOM 0 HG12 ILE A 58 -9.261 4.522 2.473 1.00 43.35 H new ATOM 0 HG13 ILE A 58 -8.038 5.076 1.346 1.00 43.35 H new ATOM 0 HG21 ILE A 58 -5.796 5.813 2.203 1.00 32.42 H new ATOM 0 HG22 ILE A 58 -5.516 5.962 3.955 1.00 32.42 H new ATOM 0 HG23 ILE A 58 -5.585 4.353 3.198 1.00 32.42 H new ATOM 0 HD11 ILE A 58 -8.240 2.654 1.300 1.00 40.53 H new ATOM 0 HD12 ILE A 58 -6.635 3.139 1.897 1.00 40.53 H new ATOM 0 HD13 ILE A 58 -7.877 2.577 3.041 1.00 40.53 H new ATOM 963 N GLN A 59 -7.636 6.455 6.488 1.00 34.01 N ATOM 964 CA GLN A 59 -7.080 7.203 7.629 1.00 14.23 C ATOM 965 C GLN A 59 -6.848 6.252 8.802 1.00 72.53 C ATOM 966 O GLN A 59 -5.816 6.294 9.471 1.00 23.01 O ATOM 967 CB GLN A 59 -8.047 8.325 8.074 1.00 42.45 C ATOM 968 CG GLN A 59 -8.370 9.363 7.006 1.00 4.14 C ATOM 969 CD GLN A 59 -7.187 10.207 6.594 1.00 22.54 C ATOM 970 OE1 GLN A 59 -6.941 11.283 7.155 1.00 15.02 O ATOM 971 NE2 GLN A 59 -6.446 9.737 5.633 1.00 33.42 N ATOM 0 H GLN A 59 -8.525 6.826 6.152 1.00 34.01 H new ATOM 0 HA GLN A 59 -6.137 7.652 7.317 1.00 14.23 H new ATOM 0 HB2 GLN A 59 -8.979 7.869 8.408 1.00 42.45 H new ATOM 0 HB3 GLN A 59 -7.615 8.835 8.935 1.00 42.45 H new ATOM 0 HG2 GLN A 59 -8.764 8.854 6.126 1.00 4.14 H new ATOM 0 HG3 GLN A 59 -9.159 10.017 7.376 1.00 4.14 H new ATOM 0 HE21 GLN A 59 -6.682 8.846 5.196 1.00 33.42 H new ATOM 0 HE22 GLN A 59 -5.629 10.259 5.317 1.00 33.42 H new ATOM 980 N GLU A 60 -7.820 5.397 9.031 1.00 43.23 N ATOM 981 CA GLU A 60 -7.756 4.393 10.065 1.00 31.13 C ATOM 982 C GLU A 60 -6.821 3.237 9.642 1.00 64.45 C ATOM 983 O GLU A 60 -6.066 2.694 10.456 1.00 75.31 O ATOM 984 CB GLU A 60 -9.170 3.834 10.302 1.00 31.52 C ATOM 985 CG GLU A 60 -10.196 4.818 10.892 1.00 62.53 C ATOM 986 CD GLU A 60 -9.857 5.225 12.311 1.00 61.44 C ATOM 987 OE1 GLU A 60 -9.886 4.359 13.213 1.00 14.10 O ATOM 988 OE2 GLU A 60 -9.542 6.403 12.548 1.00 55.44 O ATOM 0 H GLU A 60 -8.688 5.381 8.496 1.00 43.23 H new ATOM 0 HA GLU A 60 -7.365 4.845 10.977 1.00 31.13 H new ATOM 0 HB2 GLU A 60 -9.556 3.464 9.352 1.00 31.52 H new ATOM 0 HB3 GLU A 60 -9.093 2.977 10.971 1.00 31.52 H new ATOM 0 HG2 GLU A 60 -10.245 5.707 10.264 1.00 62.53 H new ATOM 0 HG3 GLU A 60 -11.185 4.361 10.875 1.00 62.53 H new ATOM 995 N TYR A 61 -6.886 2.890 8.368 1.00 71.54 N ATOM 996 CA TYR A 61 -6.185 1.738 7.793 1.00 33.52 C ATOM 997 C TYR A 61 -4.656 1.895 7.813 1.00 31.12 C ATOM 998 O TYR A 61 -3.949 1.027 8.315 1.00 51.11 O ATOM 999 CB TYR A 61 -6.658 1.527 6.347 1.00 4.42 C ATOM 1000 CG TYR A 61 -6.240 0.218 5.722 1.00 3.24 C ATOM 1001 CD1 TYR A 61 -4.986 0.047 5.144 1.00 11.21 C ATOM 1002 CD2 TYR A 61 -7.112 -0.850 5.714 1.00 0.11 C ATOM 1003 CE1 TYR A 61 -4.624 -1.159 4.579 1.00 31.45 C ATOM 1004 CE2 TYR A 61 -6.765 -2.054 5.156 1.00 51.35 C ATOM 1005 CZ TYR A 61 -5.517 -2.206 4.589 1.00 21.41 C ATOM 1006 OH TYR A 61 -5.159 -3.409 4.025 1.00 54.54 O ATOM 0 H TYR A 61 -7.438 3.408 7.684 1.00 71.54 H new ATOM 0 HA TYR A 61 -6.425 0.873 8.411 1.00 33.52 H new ATOM 0 HB2 TYR A 61 -7.746 1.592 6.324 1.00 4.42 H new ATOM 0 HB3 TYR A 61 -6.277 2.343 5.733 1.00 4.42 H new ATOM 0 HD1 TYR A 61 -4.286 0.870 5.137 1.00 11.21 H new ATOM 0 HD2 TYR A 61 -8.090 -0.736 6.157 1.00 0.11 H new ATOM 0 HE1 TYR A 61 -3.648 -1.280 4.133 1.00 31.45 H new ATOM 0 HE2 TYR A 61 -7.464 -2.877 5.161 1.00 51.35 H new ATOM 0 HH TYR A 61 -4.190 -3.532 4.104 1.00 54.54 H new ATOM 1016 N LEU A 62 -4.156 2.989 7.258 1.00 71.21 N ATOM 1017 CA LEU A 62 -2.706 3.200 7.158 1.00 14.15 C ATOM 1018 C LEU A 62 -2.089 3.307 8.530 1.00 50.32 C ATOM 1019 O LEU A 62 -1.100 2.644 8.833 1.00 61.40 O ATOM 1020 CB LEU A 62 -2.389 4.474 6.378 1.00 53.31 C ATOM 1021 CG LEU A 62 -2.923 4.572 4.954 1.00 32.32 C ATOM 1022 CD1 LEU A 62 -2.547 5.913 4.340 1.00 53.45 C ATOM 1023 CD2 LEU A 62 -2.407 3.434 4.092 1.00 31.41 C ATOM 0 H LEU A 62 -4.722 3.744 6.870 1.00 71.21 H new ATOM 0 HA LEU A 62 -2.288 2.342 6.632 1.00 14.15 H new ATOM 0 HB2 LEU A 62 -2.778 5.321 6.943 1.00 53.31 H new ATOM 0 HB3 LEU A 62 -1.305 4.586 6.341 1.00 53.31 H new ATOM 0 HG LEU A 62 -4.009 4.494 4.997 1.00 32.32 H new ATOM 0 HD11 LEU A 62 -2.935 5.969 3.323 1.00 53.45 H new ATOM 0 HD12 LEU A 62 -2.975 6.719 4.936 1.00 53.45 H new ATOM 0 HD13 LEU A 62 -1.462 6.013 4.320 1.00 53.45 H new ATOM 0 HD21 LEU A 62 -2.806 3.532 3.082 1.00 31.41 H new ATOM 0 HD22 LEU A 62 -1.318 3.469 4.057 1.00 31.41 H new ATOM 0 HD23 LEU A 62 -2.726 2.482 4.517 1.00 31.41 H new ATOM 1035 N GLU A 63 -2.703 4.129 9.354 1.00 42.25 N ATOM 1036 CA GLU A 63 -2.244 4.416 10.687 1.00 33.43 C ATOM 1037 C GLU A 63 -2.113 3.116 11.530 1.00 43.53 C ATOM 1038 O GLU A 63 -1.153 2.958 12.288 1.00 71.24 O ATOM 1039 CB GLU A 63 -3.235 5.417 11.288 1.00 25.15 C ATOM 1040 CG GLU A 63 -2.805 6.161 12.536 1.00 41.22 C ATOM 1041 CD GLU A 63 -2.704 5.327 13.792 1.00 52.22 C ATOM 1042 OE1 GLU A 63 -3.759 4.951 14.347 1.00 65.42 O ATOM 1043 OE2 GLU A 63 -1.591 5.105 14.280 1.00 54.15 O ATOM 0 H GLU A 63 -3.557 4.627 9.104 1.00 42.25 H new ATOM 0 HA GLU A 63 -1.244 4.849 10.678 1.00 33.43 H new ATOM 0 HB2 GLU A 63 -3.475 6.155 10.522 1.00 25.15 H new ATOM 0 HB3 GLU A 63 -4.157 4.882 11.516 1.00 25.15 H new ATOM 0 HG2 GLU A 63 -1.835 6.620 12.347 1.00 41.22 H new ATOM 0 HG3 GLU A 63 -3.511 6.971 12.716 1.00 41.22 H new ATOM 1050 N LYS A 64 -3.033 2.169 11.347 1.00 1.25 N ATOM 1051 CA LYS A 64 -2.999 0.951 12.144 1.00 64.54 C ATOM 1052 C LYS A 64 -1.856 0.011 11.730 1.00 53.44 C ATOM 1053 O LYS A 64 -1.391 -0.804 12.525 1.00 41.42 O ATOM 1054 CB LYS A 64 -4.314 0.223 12.105 1.00 51.30 C ATOM 1055 CG LYS A 64 -4.611 -0.476 10.830 1.00 22.40 C ATOM 1056 CD LYS A 64 -5.940 -1.106 10.923 1.00 70.30 C ATOM 1057 CE LYS A 64 -6.195 -2.023 9.769 1.00 30.14 C ATOM 1058 NZ LYS A 64 -5.284 -3.196 9.777 1.00 73.13 N ATOM 0 H LYS A 64 -3.793 2.221 10.669 1.00 1.25 H new ATOM 0 HA LYS A 64 -2.811 1.267 13.170 1.00 64.54 H new ATOM 0 HB2 LYS A 64 -4.331 -0.507 12.914 1.00 51.30 H new ATOM 0 HB3 LYS A 64 -5.113 0.937 12.304 1.00 51.30 H new ATOM 0 HG2 LYS A 64 -4.587 0.230 10.000 1.00 22.40 H new ATOM 0 HG3 LYS A 64 -3.851 -1.231 10.629 1.00 22.40 H new ATOM 0 HD2 LYS A 64 -6.014 -1.665 11.856 1.00 70.30 H new ATOM 0 HD3 LYS A 64 -6.709 -0.334 10.952 1.00 70.30 H new ATOM 0 HE2 LYS A 64 -7.229 -2.367 9.801 1.00 30.14 H new ATOM 0 HE3 LYS A 64 -6.071 -1.474 8.836 1.00 30.14 H new ATOM 0 HZ1 LYS A 64 -5.601 -3.887 9.067 1.00 73.13 H new ATOM 0 HZ2 LYS A 64 -4.317 -2.886 9.551 1.00 73.13 H new ATOM 0 HZ3 LYS A 64 -5.295 -3.638 10.718 1.00 73.13 H new ATOM 1072 N CYS A 65 -1.414 0.137 10.491 1.00 24.53 N ATOM 1073 CA CYS A 65 -0.305 -0.669 9.961 1.00 70.22 C ATOM 1074 C CYS A 65 1.027 0.013 10.276 1.00 10.11 C ATOM 1075 O CYS A 65 2.094 -0.604 10.216 1.00 63.32 O ATOM 1076 CB CYS A 65 -0.478 -0.877 8.428 1.00 0.23 C ATOM 1077 SG CYS A 65 0.890 -1.774 7.577 1.00 32.33 S ATOM 0 H CYS A 65 -1.806 0.796 9.818 1.00 24.53 H new ATOM 0 HA CYS A 65 -0.311 -1.649 10.437 1.00 70.22 H new ATOM 0 HB2 CYS A 65 -1.406 -1.423 8.258 1.00 0.23 H new ATOM 0 HB3 CYS A 65 -0.593 0.100 7.959 1.00 0.23 H new ATOM 1082 N LEU A 66 0.943 1.284 10.638 1.00 23.20 N ATOM 1083 CA LEU A 66 2.092 2.091 10.929 1.00 54.40 C ATOM 1084 C LEU A 66 2.727 1.664 12.265 1.00 21.13 C ATOM 1085 O LEU A 66 3.831 1.101 12.292 1.00 41.04 O ATOM 1086 CB LEU A 66 1.645 3.575 10.992 1.00 65.31 C ATOM 1087 CG LEU A 66 2.718 4.681 10.924 1.00 52.42 C ATOM 1088 CD1 LEU A 66 3.725 4.606 12.048 1.00 11.13 C ATOM 1089 CD2 LEU A 66 3.406 4.614 9.614 1.00 65.54 C ATOM 0 H LEU A 66 0.057 1.780 10.736 1.00 23.20 H new ATOM 0 HA LEU A 66 2.841 1.962 10.148 1.00 54.40 H new ATOM 0 HB2 LEU A 66 0.946 3.743 10.173 1.00 65.31 H new ATOM 0 HB3 LEU A 66 1.089 3.712 11.919 1.00 65.31 H new ATOM 0 HG LEU A 66 2.206 5.636 11.037 1.00 52.42 H new ATOM 0 HD11 LEU A 66 4.451 5.412 11.940 1.00 11.13 H new ATOM 0 HD12 LEU A 66 3.211 4.706 13.004 1.00 11.13 H new ATOM 0 HD13 LEU A 66 4.240 3.646 12.011 1.00 11.13 H new ATOM 0 HD21 LEU A 66 4.165 5.394 9.562 1.00 65.54 H new ATOM 0 HD22 LEU A 66 3.879 3.639 9.501 1.00 65.54 H new ATOM 0 HD23 LEU A 66 2.680 4.760 8.814 1.00 65.54 H new ATOM 1101 N ASN A 67 2.016 1.918 13.363 1.00 14.54 N ATOM 1102 CA ASN A 67 2.566 1.686 14.699 1.00 75.01 C ATOM 1103 C ASN A 67 1.484 1.775 15.731 1.00 41.13 C ATOM 1104 O ASN A 67 1.389 0.927 16.637 1.00 11.25 O ATOM 1105 CB ASN A 67 3.629 2.749 14.991 1.00 13.35 C ATOM 1106 CG ASN A 67 4.438 2.459 16.230 1.00 3.00 C ATOM 1107 OD1 ASN A 67 3.960 1.917 17.227 1.00 42.24 O ATOM 1108 ND2 ASN A 67 5.682 2.756 16.158 1.00 71.11 N ATOM 0 H ASN A 67 1.063 2.282 13.355 1.00 14.54 H new ATOM 0 HA ASN A 67 3.007 0.690 14.735 1.00 75.01 H new ATOM 0 HB2 ASN A 67 4.301 2.825 14.136 1.00 13.35 H new ATOM 0 HB3 ASN A 67 3.143 3.718 15.102 1.00 13.35 H new ATOM 0 HD21 ASN A 67 6.303 2.544 16.939 1.00 71.11 H new ATOM 0 HD22 ASN A 67 6.052 3.205 15.320 1.00 71.11 H new ATOM 1404 N GLY B 119 -14.460 6.335 -10.932 1.00 12.34 N ATOM 1405 CA GLY B 119 -14.816 6.729 -9.586 1.00 75.14 C ATOM 1406 C GLY B 119 -16.277 6.512 -9.273 1.00 63.43 C ATOM 1407 O GLY B 119 -17.151 7.063 -9.945 1.00 22.23 O ATOM 0 HA2 GLY B 119 -14.211 6.165 -8.876 1.00 75.14 H new ATOM 0 HA3 GLY B 119 -14.573 7.782 -9.446 1.00 75.14 H new ATOM 1411 N ASP B 120 -16.539 5.707 -8.283 1.00 62.42 N ATOM 1412 CA ASP B 120 -17.889 5.425 -7.798 1.00 24.11 C ATOM 1413 C ASP B 120 -17.782 5.092 -6.283 1.00 4.10 C ATOM 1414 O ASP B 120 -16.765 5.435 -5.672 1.00 14.11 O ATOM 1415 CB ASP B 120 -18.480 4.266 -8.598 1.00 63.34 C ATOM 1416 CG ASP B 120 -19.935 3.965 -8.274 1.00 63.04 C ATOM 1417 OD1 ASP B 120 -20.816 4.765 -8.636 1.00 43.44 O ATOM 1418 OD2 ASP B 120 -20.208 2.945 -7.612 1.00 40.05 O ATOM 0 H ASP B 120 -15.812 5.209 -7.768 1.00 62.42 H new ATOM 0 HA ASP B 120 -18.552 6.280 -7.928 1.00 24.11 H new ATOM 0 HB2 ASP B 120 -18.395 4.492 -9.661 1.00 63.34 H new ATOM 0 HB3 ASP B 120 -17.885 3.371 -8.414 1.00 63.34 H new ATOM 1447 N ASP B 122 -19.483 6.416 -3.664 1.00 41.32 N ATOM 1448 CA ASP B 122 -19.340 7.809 -3.220 1.00 50.30 C ATOM 1449 C ASP B 122 -18.320 8.545 -4.032 1.00 3.12 C ATOM 1450 O ASP B 122 -18.601 9.606 -4.561 1.00 30.33 O ATOM 1451 CB ASP B 122 -19.052 7.978 -1.747 1.00 4.31 C ATOM 1452 CG ASP B 122 -20.273 7.874 -0.882 1.00 21.14 C ATOM 1453 OD1 ASP B 122 -20.646 6.763 -0.494 1.00 21.05 O ATOM 1454 OD2 ASP B 122 -20.870 8.916 -0.566 1.00 44.34 O ATOM 0 HA ASP B 122 -20.324 8.247 -3.386 1.00 50.30 H new ATOM 0 HB2 ASP B 122 -18.331 7.221 -1.437 1.00 4.31 H new ATOM 0 HB3 ASP B 122 -18.584 8.949 -1.586 1.00 4.31 H new ATOM 1459 N SER B 123 -17.150 7.961 -4.124 1.00 53.42 N ATOM 1460 CA SER B 123 -16.041 8.467 -4.860 1.00 2.53 C ATOM 1461 C SER B 123 -15.474 9.792 -4.284 1.00 62.35 C ATOM 1462 O SER B 123 -14.458 9.776 -3.598 1.00 30.52 O ATOM 1463 CB SER B 123 -16.375 8.505 -6.367 1.00 12.44 C ATOM 1464 OG SER B 123 -15.356 9.102 -7.148 1.00 25.52 O ATOM 0 H SER B 123 -16.946 7.076 -3.660 1.00 53.42 H new ATOM 0 HA SER B 123 -15.207 7.775 -4.743 1.00 2.53 H new ATOM 0 HB2 SER B 123 -16.547 7.488 -6.721 1.00 12.44 H new ATOM 0 HB3 SER B 123 -17.305 9.054 -6.513 1.00 12.44 H new ATOM 0 HG SER B 123 -14.518 9.114 -6.639 1.00 25.52 H new ATOM 1470 N MET B 124 -16.138 10.903 -4.509 1.00 61.30 N ATOM 1471 CA MET B 124 -15.627 12.186 -4.040 1.00 63.21 C ATOM 1472 C MET B 124 -16.005 12.497 -2.594 1.00 1.10 C ATOM 1473 O MET B 124 -17.048 13.113 -2.326 1.00 64.04 O ATOM 1474 CB MET B 124 -16.021 13.344 -4.967 1.00 60.42 C ATOM 1475 CG MET B 124 -15.417 13.258 -6.354 1.00 73.53 C ATOM 1476 SD MET B 124 -13.614 13.326 -6.327 1.00 11.10 S ATOM 1477 CE MET B 124 -13.254 13.177 -8.072 1.00 63.42 C ATOM 0 H MET B 124 -17.026 10.952 -5.009 1.00 61.30 H new ATOM 0 HA MET B 124 -14.542 12.086 -4.067 1.00 63.21 H new ATOM 0 HB2 MET B 124 -17.107 13.371 -5.056 1.00 60.42 H new ATOM 0 HB3 MET B 124 -15.716 14.284 -4.507 1.00 60.42 H new ATOM 0 HG2 MET B 124 -15.735 12.330 -6.829 1.00 73.53 H new ATOM 0 HG3 MET B 124 -15.799 14.076 -6.965 1.00 73.53 H new ATOM 0 HE1 MET B 124 -12.229 12.832 -8.204 1.00 63.42 H new ATOM 0 HE2 MET B 124 -13.939 12.460 -8.525 1.00 63.42 H new ATOM 0 HE3 MET B 124 -13.375 14.148 -8.553 1.00 63.42 H new ATOM 1487 N LYS B 125 -15.185 12.008 -1.666 1.00 31.41 N ATOM 1488 CA LYS B 125 -15.290 12.286 -0.241 1.00 1.04 C ATOM 1489 C LYS B 125 -13.890 12.340 0.352 1.00 65.53 C ATOM 1490 O LYS B 125 -13.050 11.493 0.043 1.00 31.02 O ATOM 1491 CB LYS B 125 -16.129 11.233 0.500 1.00 21.50 C ATOM 1492 CG LYS B 125 -17.588 11.214 0.174 1.00 33.32 C ATOM 1493 CD LYS B 125 -18.249 12.492 0.603 1.00 13.14 C ATOM 1494 CE LYS B 125 -19.695 12.464 0.252 1.00 4.54 C ATOM 1495 NZ LYS B 125 -20.381 13.727 0.612 1.00 25.02 N ATOM 0 H LYS B 125 -14.407 11.389 -1.895 1.00 31.41 H new ATOM 0 HA LYS B 125 -15.798 13.243 -0.119 1.00 1.04 H new ATOM 0 HB2 LYS B 125 -15.715 10.248 0.283 1.00 21.50 H new ATOM 0 HB3 LYS B 125 -16.018 11.396 1.572 1.00 21.50 H new ATOM 0 HG2 LYS B 125 -17.723 11.072 -0.898 1.00 33.32 H new ATOM 0 HG3 LYS B 125 -18.065 10.369 0.670 1.00 33.32 H new ATOM 0 HD2 LYS B 125 -18.131 12.629 1.678 1.00 13.14 H new ATOM 0 HD3 LYS B 125 -17.766 13.341 0.119 1.00 13.14 H new ATOM 0 HE2 LYS B 125 -19.804 12.285 -0.818 1.00 4.54 H new ATOM 0 HE3 LYS B 125 -20.176 11.632 0.766 1.00 4.54 H new ATOM 0 HZ1 LYS B 125 -21.385 13.663 0.350 1.00 25.02 H new ATOM 0 HZ2 LYS B 125 -20.300 13.886 1.637 1.00 25.02 H new ATOM 0 HZ3 LYS B 125 -19.940 14.519 0.103 1.00 25.02 H new ATOM 1509 N GLU B 126 -13.657 13.305 1.204 1.00 53.11 N ATOM 1510 CA GLU B 126 -12.343 13.563 1.770 1.00 42.32 C ATOM 1511 C GLU B 126 -12.328 13.213 3.270 1.00 43.53 C ATOM 1512 O GLU B 126 -13.388 12.902 3.835 1.00 5.30 O ATOM 1513 CB GLU B 126 -12.012 15.034 1.548 1.00 10.33 C ATOM 1514 CG GLU B 126 -12.029 15.436 0.093 1.00 23.35 C ATOM 1515 CD GLU B 126 -11.593 16.841 -0.107 1.00 32.22 C ATOM 1516 OE1 GLU B 126 -12.421 17.762 0.067 1.00 34.34 O ATOM 1517 OE2 GLU B 126 -10.411 17.053 -0.434 1.00 65.41 O ATOM 0 H GLU B 126 -14.379 13.946 1.533 1.00 53.11 H new ATOM 0 HA GLU B 126 -11.592 12.941 1.283 1.00 42.32 H new ATOM 0 HB2 GLU B 126 -12.728 15.647 2.096 1.00 10.33 H new ATOM 0 HB3 GLU B 126 -11.027 15.245 1.965 1.00 10.33 H new ATOM 0 HG2 GLU B 126 -11.377 14.771 -0.473 1.00 23.35 H new ATOM 0 HG3 GLU B 126 -13.036 15.310 -0.305 1.00 23.35 H new ATOM 1524 N PRO B 127 -11.139 13.200 3.934 1.00 3.24 N ATOM 1525 CA PRO B 127 -11.035 12.913 5.370 1.00 72.22 C ATOM 1526 C PRO B 127 -11.519 14.049 6.267 1.00 45.04 C ATOM 1527 O PRO B 127 -11.950 15.129 5.808 1.00 62.23 O ATOM 1528 CB PRO B 127 -9.520 12.765 5.585 1.00 21.41 C ATOM 1529 CG PRO B 127 -8.951 13.661 4.562 1.00 61.54 C ATOM 1530 CD PRO B 127 -9.781 13.398 3.351 1.00 52.30 C ATOM 0 HA PRO B 127 -11.647 12.049 5.627 1.00 72.22 H new ATOM 0 HB2 PRO B 127 -9.224 13.062 6.591 1.00 21.41 H new ATOM 0 HB3 PRO B 127 -9.191 11.735 5.447 1.00 21.41 H new ATOM 0 HG2 PRO B 127 -9.011 14.705 4.868 1.00 61.54 H new ATOM 0 HG3 PRO B 127 -7.899 13.442 4.380 1.00 61.54 H new ATOM 0 HD2 PRO B 127 -9.756 14.234 2.652 1.00 52.30 H new ATOM 0 HD3 PRO B 127 -9.439 12.517 2.807 1.00 52.30 H new ATOM 1855 N CYS C 209 0.181 -16.474 5.908 1.00 42.42 N ATOM 1856 CA CYS C 209 0.940 -15.269 5.739 1.00 1.23 C ATOM 1857 C CYS C 209 1.699 -15.355 4.413 1.00 40.44 C ATOM 1858 O CYS C 209 2.341 -16.373 4.129 1.00 32.53 O ATOM 1859 CB CYS C 209 1.896 -15.093 6.931 1.00 22.35 C ATOM 1860 SG CYS C 209 2.721 -13.491 7.048 1.00 51.22 S ATOM 0 HA CYS C 209 0.285 -14.398 5.710 1.00 1.23 H new ATOM 0 HB2 CYS C 209 1.334 -15.259 7.850 1.00 22.35 H new ATOM 0 HB3 CYS C 209 2.659 -15.870 6.879 1.00 22.35 H new ATOM 1865 N PRO C 210 1.625 -14.291 3.586 1.00 22.55 N ATOM 1866 CA PRO C 210 2.261 -14.263 2.265 1.00 4.32 C ATOM 1867 C PRO C 210 3.789 -14.255 2.322 1.00 42.45 C ATOM 1868 O PRO C 210 4.448 -15.191 1.860 1.00 73.23 O ATOM 1869 CB PRO C 210 1.743 -12.952 1.648 1.00 24.50 C ATOM 1870 CG PRO C 210 1.317 -12.109 2.795 1.00 42.42 C ATOM 1871 CD PRO C 210 0.867 -13.051 3.858 1.00 74.31 C ATOM 0 HA PRO C 210 2.017 -15.157 1.692 1.00 4.32 H new ATOM 0 HB2 PRO C 210 2.522 -12.458 1.067 1.00 24.50 H new ATOM 0 HB3 PRO C 210 0.911 -13.140 0.970 1.00 24.50 H new ATOM 0 HG2 PRO C 210 2.140 -11.488 3.148 1.00 42.42 H new ATOM 0 HG3 PRO C 210 0.511 -11.435 2.505 1.00 42.42 H new ATOM 0 HD2 PRO C 210 1.083 -12.662 4.853 1.00 74.31 H new ATOM 0 HD3 PRO C 210 -0.208 -13.222 3.809 1.00 74.31 H new ATOM 1879 N CYS C 211 4.340 -13.214 2.893 1.00 74.14 N ATOM 1880 CA CYS C 211 5.761 -13.051 2.958 1.00 61.43 C ATOM 1881 C CYS C 211 6.292 -13.497 4.293 1.00 70.11 C ATOM 1882 O CYS C 211 5.932 -12.955 5.338 1.00 41.21 O ATOM 1883 CB CYS C 211 6.141 -11.606 2.681 1.00 11.12 C ATOM 1884 SG CYS C 211 5.623 -11.017 1.043 1.00 3.42 S ATOM 0 H CYS C 211 3.811 -12.457 3.325 1.00 74.14 H new ATOM 0 HA CYS C 211 6.214 -13.679 2.191 1.00 61.43 H new ATOM 0 HB2 CYS C 211 5.694 -10.969 3.445 1.00 11.12 H new ATOM 0 HB3 CYS C 211 7.222 -11.500 2.770 1.00 11.12 H new ATOM 1889 N ARG C 212 7.140 -14.489 4.252 1.00 3.33 N ATOM 1890 CA ARG C 212 7.751 -15.040 5.446 1.00 11.22 C ATOM 1891 C ARG C 212 8.882 -14.127 5.938 1.00 4.11 C ATOM 1892 O ARG C 212 9.244 -14.143 7.110 1.00 31.11 O ATOM 1893 CB ARG C 212 8.282 -16.423 5.105 1.00 1.35 C ATOM 1894 CG ARG C 212 8.799 -17.244 6.264 1.00 24.02 C ATOM 1895 CD ARG C 212 9.198 -18.620 5.765 1.00 63.41 C ATOM 1896 NE ARG C 212 8.067 -19.277 5.097 1.00 50.02 N ATOM 1897 CZ ARG C 212 8.166 -20.263 4.203 1.00 14.40 C ATOM 1898 NH1 ARG C 212 9.356 -20.775 3.893 1.00 44.10 N ATOM 1899 NH2 ARG C 212 7.068 -20.739 3.631 1.00 1.33 N ATOM 0 H ARG C 212 7.432 -14.945 3.388 1.00 3.33 H new ATOM 0 HA ARG C 212 7.017 -15.112 6.249 1.00 11.22 H new ATOM 0 HB2 ARG C 212 7.486 -16.984 4.616 1.00 1.35 H new ATOM 0 HB3 ARG C 212 9.087 -16.311 4.378 1.00 1.35 H new ATOM 0 HG2 ARG C 212 9.655 -16.749 6.722 1.00 24.02 H new ATOM 0 HG3 ARG C 212 8.032 -17.332 7.033 1.00 24.02 H new ATOM 0 HD2 ARG C 212 10.035 -18.533 5.072 1.00 63.41 H new ATOM 0 HD3 ARG C 212 9.538 -19.231 6.601 1.00 63.41 H new ATOM 0 HE ARG C 212 7.130 -18.953 5.336 1.00 50.02 H new ATOM 0 HH11 ARG C 212 10.199 -20.414 4.340 1.00 44.10 H new ATOM 0 HH12 ARG C 212 9.424 -21.528 3.209 1.00 44.10 H new ATOM 0 HH21 ARG C 212 6.157 -20.352 3.875 1.00 1.33 H new ATOM 0 HH22 ARG C 212 7.135 -21.492 2.947 1.00 1.33 H new ATOM 1913 N PHE C 213 9.419 -13.327 5.031 1.00 53.01 N ATOM 1914 CA PHE C 213 10.509 -12.415 5.341 1.00 44.14 C ATOM 1915 C PHE C 213 10.220 -11.070 4.703 1.00 44.12 C ATOM 1916 O PHE C 213 9.649 -11.020 3.597 1.00 33.13 O ATOM 1917 CB PHE C 213 11.848 -12.956 4.817 1.00 75.43 C ATOM 1918 CG PHE C 213 12.236 -14.305 5.358 1.00 54.12 C ATOM 1919 CD1 PHE C 213 12.658 -14.447 6.666 1.00 0.13 C ATOM 1920 CD2 PHE C 213 12.172 -15.428 4.553 1.00 5.01 C ATOM 1921 CE1 PHE C 213 13.010 -15.683 7.163 1.00 20.44 C ATOM 1922 CE2 PHE C 213 12.524 -16.668 5.044 1.00 33.44 C ATOM 1923 CZ PHE C 213 12.943 -16.794 6.351 1.00 22.42 C ATOM 0 H PHE C 213 9.112 -13.291 4.059 1.00 53.01 H new ATOM 0 HA PHE C 213 10.585 -12.313 6.424 1.00 44.14 H new ATOM 0 HB2 PHE C 213 11.800 -13.016 3.730 1.00 75.43 H new ATOM 0 HB3 PHE C 213 12.634 -12.242 5.062 1.00 75.43 H new ATOM 0 HD1 PHE C 213 12.713 -13.579 7.306 1.00 0.13 H new ATOM 0 HD2 PHE C 213 11.843 -15.333 3.529 1.00 5.01 H new ATOM 0 HE1 PHE C 213 13.338 -15.781 8.187 1.00 20.44 H new ATOM 0 HE2 PHE C 213 12.471 -17.538 4.406 1.00 33.44 H new ATOM 0 HZ PHE C 213 13.219 -17.764 6.739 1.00 22.42 H new ATOM 1933 N PHE C 214 10.599 -10.009 5.367 1.00 25.42 N ATOM 1934 CA PHE C 214 10.349 -8.662 4.890 1.00 2.25 C ATOM 1935 C PHE C 214 11.573 -7.743 4.998 1.00 42.43 C ATOM 1936 O PHE C 214 12.188 -7.603 6.058 1.00 23.11 O ATOM 1937 CB PHE C 214 9.056 -8.072 5.492 1.00 53.55 C ATOM 1938 CG PHE C 214 8.833 -8.373 6.955 1.00 12.15 C ATOM 1939 CD1 PHE C 214 9.341 -7.561 7.942 1.00 0.04 C ATOM 1940 CD2 PHE C 214 8.095 -9.489 7.329 1.00 3.43 C ATOM 1941 CE1 PHE C 214 9.121 -7.851 9.276 1.00 45.22 C ATOM 1942 CE2 PHE C 214 7.876 -9.782 8.654 1.00 30.32 C ATOM 1943 CZ PHE C 214 8.389 -8.961 9.632 1.00 3.44 C ATOM 0 H PHE C 214 11.093 -10.049 6.259 1.00 25.42 H new ATOM 0 HA PHE C 214 10.169 -8.734 3.817 1.00 2.25 H new ATOM 0 HB2 PHE C 214 9.072 -6.990 5.358 1.00 53.55 H new ATOM 0 HB3 PHE C 214 8.205 -8.450 4.926 1.00 53.55 H new ATOM 0 HD1 PHE C 214 9.917 -6.688 7.673 1.00 0.04 H new ATOM 0 HD2 PHE C 214 7.687 -10.136 6.567 1.00 3.43 H new ATOM 0 HE1 PHE C 214 9.525 -7.204 10.041 1.00 45.22 H new ATOM 0 HE2 PHE C 214 7.302 -10.655 8.927 1.00 30.32 H new ATOM 0 HZ PHE C 214 8.218 -9.187 10.674 1.00 3.44 H new ATOM 1953 N GLU C 215 11.884 -7.126 3.880 1.00 15.33 N ATOM 1954 CA GLU C 215 13.081 -6.338 3.636 1.00 75.34 C ATOM 1955 C GLU C 215 12.966 -4.942 4.270 1.00 62.30 C ATOM 1956 O GLU C 215 11.960 -4.259 4.101 1.00 21.35 O ATOM 1957 CB GLU C 215 13.266 -6.282 2.111 1.00 14.03 C ATOM 1958 CG GLU C 215 14.538 -5.673 1.628 1.00 73.41 C ATOM 1959 CD GLU C 215 14.752 -5.909 0.141 1.00 21.42 C ATOM 1960 OE1 GLU C 215 15.027 -7.077 -0.257 1.00 45.11 O ATOM 1961 OE2 GLU C 215 14.692 -4.952 -0.640 1.00 12.50 O ATOM 0 H GLU C 215 11.273 -7.161 3.064 1.00 15.33 H new ATOM 0 HA GLU C 215 13.957 -6.791 4.100 1.00 75.34 H new ATOM 0 HB2 GLU C 215 13.201 -7.297 1.720 1.00 14.03 H new ATOM 0 HB3 GLU C 215 12.434 -5.722 1.684 1.00 14.03 H new ATOM 0 HG2 GLU C 215 14.526 -4.601 1.827 1.00 73.41 H new ATOM 0 HG3 GLU C 215 15.376 -6.092 2.186 1.00 73.41 H new ATOM 1968 N SER C 216 14.016 -4.512 4.985 1.00 70.34 N ATOM 1969 CA SER C 216 13.918 -3.286 5.774 1.00 52.02 C ATOM 1970 C SER C 216 14.993 -2.211 5.407 1.00 52.00 C ATOM 1971 O SER C 216 14.930 -1.084 5.854 1.00 63.01 O ATOM 1972 CB SER C 216 13.946 -3.639 7.281 1.00 24.54 C ATOM 1973 OG SER C 216 13.671 -2.520 8.097 1.00 1.10 O ATOM 0 H SER C 216 14.919 -4.984 5.031 1.00 70.34 H new ATOM 0 HA SER C 216 12.965 -2.818 5.529 1.00 52.02 H new ATOM 0 HB2 SER C 216 13.215 -4.422 7.483 1.00 24.54 H new ATOM 0 HB3 SER C 216 14.925 -4.043 7.539 1.00 24.54 H new ATOM 0 HG SER C 216 12.737 -2.551 8.391 1.00 1.10 H new ATOM 1979 N HIS C 217 15.977 -2.543 4.618 1.00 42.43 N ATOM 1980 CA HIS C 217 16.933 -1.501 4.196 1.00 23.35 C ATOM 1981 C HIS C 217 16.825 -1.228 2.739 1.00 34.13 C ATOM 1982 O HIS C 217 17.695 -0.605 2.124 1.00 73.13 O ATOM 1983 CB HIS C 217 18.367 -1.738 4.676 1.00 2.31 C ATOM 1984 CG HIS C 217 18.540 -1.461 6.142 1.00 20.51 C ATOM 1985 ND1 HIS C 217 19.425 -0.540 6.630 1.00 31.43 N ATOM 1986 CD2 HIS C 217 17.943 -2.002 7.227 1.00 54.32 C ATOM 1987 CE1 HIS C 217 19.367 -0.525 7.938 1.00 42.02 C ATOM 1988 NE2 HIS C 217 18.474 -1.405 8.327 1.00 11.55 N ATOM 0 H HIS C 217 16.153 -3.480 4.255 1.00 42.43 H new ATOM 0 HA HIS C 217 16.641 -0.586 4.711 1.00 23.35 H new ATOM 0 HB2 HIS C 217 18.649 -2.770 4.470 1.00 2.31 H new ATOM 0 HB3 HIS C 217 19.046 -1.102 4.108 1.00 2.31 H new ATOM 0 HD1 HIS C 217 20.037 0.046 6.062 1.00 31.43 H new ATOM 0 HD2 HIS C 217 17.183 -2.769 7.221 1.00 54.32 H new ATOM 0 HE1 HIS C 217 19.955 0.106 8.588 1.00 42.02 H new ATOM 1997 N VAL C 218 15.720 -1.682 2.197 1.00 44.00 N ATOM 1998 CA VAL C 218 15.316 -1.369 0.862 1.00 52.20 C ATOM 1999 C VAL C 218 15.112 0.151 0.791 1.00 34.05 C ATOM 2000 O VAL C 218 14.685 0.774 1.770 1.00 32.23 O ATOM 2001 CB VAL C 218 13.986 -2.113 0.518 1.00 63.43 C ATOM 2002 CG1 VAL C 218 12.919 -1.809 1.532 1.00 21.22 C ATOM 2003 CG2 VAL C 218 13.511 -1.799 -0.898 1.00 71.42 C ATOM 0 H VAL C 218 15.068 -2.292 2.689 1.00 44.00 H new ATOM 0 HA VAL C 218 16.071 -1.687 0.143 1.00 52.20 H new ATOM 0 HB VAL C 218 14.191 -3.183 0.558 1.00 63.43 H new ATOM 0 HG11 VAL C 218 12.004 -2.340 1.268 1.00 21.22 H new ATOM 0 HG12 VAL C 218 13.253 -2.130 2.519 1.00 21.22 H new ATOM 0 HG13 VAL C 218 12.725 -0.736 1.546 1.00 21.22 H new ATOM 0 HG21 VAL C 218 12.584 -2.336 -1.098 1.00 71.42 H new ATOM 0 HG22 VAL C 218 13.338 -0.727 -0.994 1.00 71.42 H new ATOM 0 HG23 VAL C 218 14.272 -2.110 -1.614 1.00 71.42 H new ATOM 2013 N ALA C 219 15.443 0.734 -0.311 1.00 22.21 N ATOM 2014 CA ALA C 219 15.341 2.158 -0.464 1.00 31.04 C ATOM 2015 C ALA C 219 14.034 2.521 -1.138 1.00 54.11 C ATOM 2016 O ALA C 219 13.643 1.880 -2.110 1.00 73.30 O ATOM 2017 CB ALA C 219 16.524 2.666 -1.259 1.00 23.34 C ATOM 0 H ALA C 219 15.792 0.244 -1.134 1.00 22.21 H new ATOM 0 HA ALA C 219 15.352 2.631 0.518 1.00 31.04 H new ATOM 0 HB1 ALA C 219 16.447 3.747 -1.375 1.00 23.34 H new ATOM 0 HB2 ALA C 219 17.447 2.423 -0.733 1.00 23.34 H new ATOM 0 HB3 ALA C 219 16.531 2.195 -2.242 1.00 23.34 H new ATOM 2023 N ARG C 220 13.355 3.546 -0.624 1.00 70.34 N ATOM 2024 CA ARG C 220 12.079 3.996 -1.198 1.00 54.35 C ATOM 2025 C ARG C 220 12.269 4.519 -2.608 1.00 22.13 C ATOM 2026 O ARG C 220 11.356 4.527 -3.401 1.00 5.41 O ATOM 2027 CB ARG C 220 11.353 5.022 -0.272 1.00 42.13 C ATOM 2028 CG ARG C 220 12.098 6.324 0.061 1.00 35.34 C ATOM 2029 CD ARG C 220 12.076 7.327 -1.081 1.00 51.13 C ATOM 2030 NE ARG C 220 12.914 8.499 -0.793 1.00 34.42 N ATOM 2031 CZ ARG C 220 12.648 9.766 -1.151 1.00 55.45 C ATOM 2032 NH1 ARG C 220 11.473 10.089 -1.686 1.00 72.21 N ATOM 2033 NH2 ARG C 220 13.548 10.711 -0.923 1.00 24.12 N ATOM 0 H ARG C 220 13.663 4.082 0.187 1.00 70.34 H new ATOM 0 HA ARG C 220 11.421 3.129 -1.265 1.00 54.35 H new ATOM 0 HB2 ARG C 220 10.405 5.287 -0.740 1.00 42.13 H new ATOM 0 HB3 ARG C 220 11.116 4.520 0.666 1.00 42.13 H new ATOM 0 HG2 ARG C 220 11.649 6.778 0.945 1.00 35.34 H new ATOM 0 HG3 ARG C 220 13.132 6.090 0.313 1.00 35.34 H new ATOM 0 HD2 ARG C 220 12.425 6.846 -1.994 1.00 51.13 H new ATOM 0 HD3 ARG C 220 11.051 7.649 -1.263 1.00 51.13 H new ATOM 0 HE ARG C 220 13.777 8.336 -0.274 1.00 34.42 H new ATOM 0 HH11 ARG C 220 10.763 9.371 -1.828 1.00 72.21 H new ATOM 0 HH12 ARG C 220 11.283 11.055 -1.954 1.00 72.21 H new ATOM 0 HH21 ARG C 220 14.435 10.474 -0.479 1.00 24.12 H new ATOM 0 HH22 ARG C 220 13.354 11.676 -1.192 1.00 24.12 H new ATOM 2047 N ALA C 221 13.478 4.943 -2.898 1.00 60.11 N ATOM 2048 CA ALA C 221 13.840 5.433 -4.209 1.00 13.53 C ATOM 2049 C ALA C 221 14.155 4.274 -5.146 1.00 24.33 C ATOM 2050 O ALA C 221 14.335 4.459 -6.351 1.00 41.23 O ATOM 2051 CB ALA C 221 15.021 6.387 -4.114 1.00 34.15 C ATOM 0 H ALA C 221 14.244 4.958 -2.225 1.00 60.11 H new ATOM 0 HA ALA C 221 12.991 5.980 -4.619 1.00 13.53 H new ATOM 0 HB1 ALA C 221 15.280 6.746 -5.110 1.00 34.15 H new ATOM 0 HB2 ALA C 221 14.755 7.234 -3.481 1.00 34.15 H new ATOM 0 HB3 ALA C 221 15.876 5.866 -3.683 1.00 34.15 H new ATOM 2057 N ASN C 222 14.244 3.083 -4.588 1.00 41.42 N ATOM 2058 CA ASN C 222 14.641 1.921 -5.351 1.00 72.24 C ATOM 2059 C ASN C 222 13.397 1.050 -5.688 1.00 1.21 C ATOM 2060 O ASN C 222 13.499 0.050 -6.407 1.00 4.23 O ATOM 2061 CB ASN C 222 15.685 1.120 -4.536 1.00 34.11 C ATOM 2062 CG ASN C 222 16.611 0.218 -5.356 1.00 22.31 C ATOM 2063 OD1 ASN C 222 17.746 -0.037 -4.957 1.00 30.23 O ATOM 2064 ND2 ASN C 222 16.177 -0.245 -6.471 1.00 25.00 N ATOM 0 H ASN C 222 14.046 2.896 -3.605 1.00 41.42 H new ATOM 0 HA ASN C 222 15.091 2.229 -6.295 1.00 72.24 H new ATOM 0 HB2 ASN C 222 16.298 1.824 -3.972 1.00 34.11 H new ATOM 0 HB3 ASN C 222 15.157 0.504 -3.809 1.00 34.11 H new ATOM 0 HD21 ASN C 222 16.777 -0.837 -7.045 1.00 25.00 H new ATOM 0 HD22 ASN C 222 15.232 -0.021 -6.783 1.00 25.00 H new ATOM 2071 N VAL C 223 12.237 1.449 -5.193 1.00 4.32 N ATOM 2072 CA VAL C 223 10.982 0.711 -5.441 1.00 43.10 C ATOM 2073 C VAL C 223 10.044 1.505 -6.351 1.00 64.40 C ATOM 2074 O VAL C 223 10.156 2.718 -6.440 1.00 50.40 O ATOM 2075 CB VAL C 223 10.237 0.354 -4.130 1.00 53.34 C ATOM 2076 CG1 VAL C 223 11.090 -0.549 -3.261 1.00 53.41 C ATOM 2077 CG2 VAL C 223 9.842 1.617 -3.373 1.00 55.44 C ATOM 0 H VAL C 223 12.125 2.281 -4.614 1.00 4.32 H new ATOM 0 HA VAL C 223 11.270 -0.217 -5.934 1.00 43.10 H new ATOM 0 HB VAL C 223 9.326 -0.184 -4.390 1.00 53.34 H new ATOM 0 HG11 VAL C 223 10.550 -0.789 -2.345 1.00 53.41 H new ATOM 0 HG12 VAL C 223 11.314 -1.469 -3.802 1.00 53.41 H new ATOM 0 HG13 VAL C 223 12.021 -0.040 -3.011 1.00 53.41 H new ATOM 0 HG21 VAL C 223 9.320 1.343 -2.456 1.00 55.44 H new ATOM 0 HG22 VAL C 223 10.737 2.187 -3.125 1.00 55.44 H new ATOM 0 HG23 VAL C 223 9.186 2.225 -3.996 1.00 55.44 H new ATOM 2087 N LYS C 224 9.150 0.805 -7.049 1.00 13.22 N ATOM 2088 CA LYS C 224 8.182 1.463 -7.938 1.00 44.35 C ATOM 2089 C LYS C 224 6.861 1.742 -7.230 1.00 62.34 C ATOM 2090 O LYS C 224 6.239 2.782 -7.439 1.00 43.11 O ATOM 2091 CB LYS C 224 7.927 0.625 -9.199 1.00 43.11 C ATOM 2092 CG LYS C 224 9.174 0.395 -10.008 1.00 60.34 C ATOM 2093 CD LYS C 224 8.910 -0.327 -11.335 1.00 21.34 C ATOM 2094 CE LYS C 224 8.421 -1.756 -11.149 1.00 25.24 C ATOM 2095 NZ LYS C 224 8.167 -2.427 -12.451 1.00 13.31 N ATOM 0 H LYS C 224 9.073 -0.212 -7.019 1.00 13.22 H new ATOM 0 HA LYS C 224 8.622 2.417 -8.230 1.00 44.35 H new ATOM 0 HB2 LYS C 224 7.504 -0.337 -8.911 1.00 43.11 H new ATOM 0 HB3 LYS C 224 7.184 1.127 -9.819 1.00 43.11 H new ATOM 0 HG2 LYS C 224 9.649 1.355 -10.212 1.00 60.34 H new ATOM 0 HG3 LYS C 224 9.879 -0.190 -9.418 1.00 60.34 H new ATOM 0 HD2 LYS C 224 8.169 0.233 -11.906 1.00 21.34 H new ATOM 0 HD3 LYS C 224 9.826 -0.337 -11.925 1.00 21.34 H new ATOM 0 HE2 LYS C 224 9.162 -2.323 -10.586 1.00 25.24 H new ATOM 0 HE3 LYS C 224 7.506 -1.753 -10.557 1.00 25.24 H new ATOM 0 HZ1 LYS C 224 7.835 -3.398 -12.282 1.00 13.31 H new ATOM 0 HZ2 LYS C 224 7.441 -1.900 -12.977 1.00 13.31 H new ATOM 0 HZ3 LYS C 224 9.046 -2.453 -13.006 1.00 13.31 H new ATOM 2109 N HIS C 225 6.415 0.805 -6.422 1.00 74.40 N ATOM 2110 CA HIS C 225 5.168 0.996 -5.679 1.00 43.34 C ATOM 2111 C HIS C 225 5.147 0.078 -4.489 1.00 3.32 C ATOM 2112 O HIS C 225 5.936 -0.842 -4.427 1.00 31.44 O ATOM 2113 CB HIS C 225 3.892 0.724 -6.558 1.00 63.03 C ATOM 2114 CG HIS C 225 3.517 -0.738 -6.810 1.00 34.23 C ATOM 2115 ND1 HIS C 225 3.044 -1.694 -5.963 1.00 43.10 N flip ATOM 2116 CD2 HIS C 225 3.516 -1.323 -8.047 1.00 61.01 C flip ATOM 2117 CE1 HIS C 225 2.773 -2.801 -6.698 1.00 72.45 C flip ATOM 2118 NE2 HIS C 225 3.055 -2.561 -7.942 1.00 0.22 N flip ATOM 0 H HIS C 225 6.882 -0.087 -6.257 1.00 74.40 H new ATOM 0 HA HIS C 225 5.138 2.040 -5.366 1.00 43.34 H new ATOM 0 HB2 HIS C 225 3.043 1.214 -6.082 1.00 63.03 H new ATOM 0 HB3 HIS C 225 4.038 1.207 -7.524 1.00 63.03 H new ATOM 0 HD2 HIS C 225 3.839 -0.851 -8.963 1.00 61.01 H new ATOM 0 HE1 HIS C 225 2.385 -3.732 -6.311 1.00 72.45 H new ATOM 0 HE2 HIS C 225 2.940 -3.218 -8.713 1.00 0.22 H new ATOM 2127 N LEU C 226 4.187 0.282 -3.613 1.00 22.13 N ATOM 2128 CA LEU C 226 3.993 -0.550 -2.438 1.00 74.44 C ATOM 2129 C LEU C 226 2.639 -1.234 -2.556 1.00 53.24 C ATOM 2130 O LEU C 226 1.748 -0.717 -3.191 1.00 3.40 O ATOM 2131 CB LEU C 226 4.006 0.289 -1.133 1.00 62.23 C ATOM 2132 CG LEU C 226 5.329 0.962 -0.684 1.00 63.14 C ATOM 2133 CD1 LEU C 226 5.818 2.020 -1.667 1.00 0.45 C ATOM 2134 CD2 LEU C 226 5.149 1.567 0.698 1.00 51.50 C ATOM 0 H LEU C 226 3.509 1.039 -3.695 1.00 22.13 H new ATOM 0 HA LEU C 226 4.807 -1.273 -2.389 1.00 74.44 H new ATOM 0 HB2 LEU C 226 3.257 1.074 -1.239 1.00 62.23 H new ATOM 0 HB3 LEU C 226 3.675 -0.359 -0.322 1.00 62.23 H new ATOM 0 HG LEU C 226 6.095 0.187 -0.655 1.00 63.14 H new ATOM 0 HD11 LEU C 226 6.747 2.456 -1.300 1.00 0.45 H new ATOM 0 HD12 LEU C 226 5.993 1.560 -2.640 1.00 0.45 H new ATOM 0 HD13 LEU C 226 5.064 2.801 -1.765 1.00 0.45 H new ATOM 0 HD21 LEU C 226 6.080 2.040 1.012 1.00 51.50 H new ATOM 0 HD22 LEU C 226 4.355 2.313 0.668 1.00 51.50 H new ATOM 0 HD23 LEU C 226 4.883 0.783 1.407 1.00 51.50 H new ATOM 2146 N LYS C 227 2.506 -2.393 -2.009 1.00 31.44 N ATOM 2147 CA LYS C 227 1.246 -3.095 -2.016 1.00 35.33 C ATOM 2148 C LYS C 227 0.994 -3.698 -0.656 1.00 30.13 C ATOM 2149 O LYS C 227 1.783 -4.480 -0.172 1.00 24.51 O ATOM 2150 CB LYS C 227 1.189 -4.133 -3.160 1.00 23.11 C ATOM 2151 CG LYS C 227 -0.076 -4.979 -3.193 1.00 4.13 C ATOM 2152 CD LYS C 227 -0.213 -5.781 -4.492 1.00 74.53 C ATOM 2153 CE LYS C 227 0.972 -6.685 -4.777 1.00 64.42 C ATOM 2154 NZ LYS C 227 0.784 -7.460 -6.027 1.00 42.10 N ATOM 0 H LYS C 227 3.263 -2.891 -1.540 1.00 31.44 H new ATOM 0 HA LYS C 227 0.439 -2.390 -2.216 1.00 35.33 H new ATOM 0 HB2 LYS C 227 1.284 -3.610 -4.111 1.00 23.11 H new ATOM 0 HB3 LYS C 227 2.050 -4.796 -3.073 1.00 23.11 H new ATOM 0 HG2 LYS C 227 -0.073 -5.664 -2.345 1.00 4.13 H new ATOM 0 HG3 LYS C 227 -0.945 -4.332 -3.076 1.00 4.13 H new ATOM 0 HD2 LYS C 227 -1.117 -6.387 -4.441 1.00 74.53 H new ATOM 0 HD3 LYS C 227 -0.340 -5.089 -5.325 1.00 74.53 H new ATOM 0 HE2 LYS C 227 1.878 -6.084 -4.855 1.00 64.42 H new ATOM 0 HE3 LYS C 227 1.115 -7.371 -3.942 1.00 64.42 H new ATOM 0 HZ1 LYS C 227 1.614 -8.066 -6.188 1.00 42.10 H new ATOM 0 HZ2 LYS C 227 -0.066 -8.053 -5.943 1.00 42.10 H new ATOM 0 HZ3 LYS C 227 0.672 -6.806 -6.828 1.00 42.10 H new ATOM 2168 N ILE C 228 -0.107 -3.340 -0.065 1.00 62.24 N ATOM 2169 CA ILE C 228 -0.405 -3.703 1.289 1.00 71.12 C ATOM 2170 C ILE C 228 -1.410 -4.841 1.337 1.00 44.11 C ATOM 2171 O ILE C 228 -2.559 -4.719 0.848 1.00 13.52 O ATOM 2172 CB ILE C 228 -0.985 -2.495 2.082 1.00 21.24 C ATOM 2173 CG1 ILE C 228 -0.035 -1.288 2.008 1.00 12.02 C ATOM 2174 CG2 ILE C 228 -1.232 -2.884 3.545 1.00 45.43 C ATOM 2175 CD1 ILE C 228 -0.545 -0.054 2.726 1.00 33.44 C ATOM 0 H ILE C 228 -0.832 -2.781 -0.515 1.00 62.24 H new ATOM 0 HA ILE C 228 0.532 -4.020 1.747 1.00 71.12 H new ATOM 0 HB ILE C 228 -1.935 -2.215 1.628 1.00 21.24 H new ATOM 0 HG12 ILE C 228 0.928 -1.571 2.433 1.00 12.02 H new ATOM 0 HG13 ILE C 228 0.139 -1.040 0.961 1.00 12.02 H new ATOM 0 HG21 ILE C 228 -1.637 -2.029 4.085 1.00 45.43 H new ATOM 0 HG22 ILE C 228 -1.942 -3.710 3.587 1.00 45.43 H new ATOM 0 HG23 ILE C 228 -0.292 -3.191 4.004 1.00 45.43 H new ATOM 0 HD11 ILE C 228 0.183 0.752 2.627 1.00 33.44 H new ATOM 0 HD12 ILE C 228 -1.493 0.257 2.287 1.00 33.44 H new ATOM 0 HD13 ILE C 228 -0.692 -0.282 3.782 1.00 33.44 H new ATOM 2187 N LEU C 229 -0.967 -5.931 1.895 1.00 54.32 N ATOM 2188 CA LEU C 229 -1.773 -7.091 2.155 1.00 44.41 C ATOM 2189 C LEU C 229 -2.083 -7.132 3.639 1.00 72.22 C ATOM 2190 O LEU C 229 -1.179 -7.332 4.467 1.00 1.34 O ATOM 2191 CB LEU C 229 -1.036 -8.408 1.744 1.00 23.54 C ATOM 2192 CG LEU C 229 -0.975 -8.806 0.238 1.00 70.13 C ATOM 2193 CD1 LEU C 229 -2.355 -9.115 -0.290 1.00 52.52 C ATOM 2194 CD2 LEU C 229 -0.300 -7.747 -0.627 1.00 44.24 C ATOM 0 H LEU C 229 0.002 -6.041 2.193 1.00 54.32 H new ATOM 0 HA LEU C 229 -2.687 -7.023 1.565 1.00 44.41 H new ATOM 0 HB2 LEU C 229 -0.011 -8.337 2.107 1.00 23.54 H new ATOM 0 HB3 LEU C 229 -1.508 -9.230 2.282 1.00 23.54 H new ATOM 0 HG LEU C 229 -0.360 -9.704 0.179 1.00 70.13 H new ATOM 0 HD11 LEU C 229 -2.289 -9.390 -1.343 1.00 52.52 H new ATOM 0 HD12 LEU C 229 -2.784 -9.942 0.275 1.00 52.52 H new ATOM 0 HD13 LEU C 229 -2.990 -8.236 -0.184 1.00 52.52 H new ATOM 0 HD21 LEU C 229 -0.287 -8.079 -1.665 1.00 44.24 H new ATOM 0 HD22 LEU C 229 -0.853 -6.810 -0.553 1.00 44.24 H new ATOM 0 HD23 LEU C 229 0.723 -7.593 -0.282 1.00 44.24 H new ATOM 2206 N ASN C 230 -3.332 -6.930 3.999 1.00 73.14 N ATOM 2207 CA ASN C 230 -3.688 -6.992 5.399 1.00 3.02 C ATOM 2208 C ASN C 230 -3.879 -8.453 5.708 1.00 42.33 C ATOM 2209 O ASN C 230 -4.883 -9.056 5.362 1.00 45.24 O ATOM 2210 CB ASN C 230 -4.968 -6.171 5.680 1.00 24.04 C ATOM 2211 CG ASN C 230 -5.307 -5.957 7.176 1.00 75.41 C ATOM 2212 OD1 ASN C 230 -5.853 -4.905 7.539 1.00 41.41 O ATOM 2213 ND2 ASN C 230 -5.035 -6.920 8.033 1.00 43.13 N ATOM 0 H ASN C 230 -4.101 -6.726 3.360 1.00 73.14 H new ATOM 0 HA ASN C 230 -2.915 -6.559 6.034 1.00 3.02 H new ATOM 0 HB2 ASN C 230 -4.864 -5.195 5.206 1.00 24.04 H new ATOM 0 HB3 ASN C 230 -5.811 -6.670 5.202 1.00 24.04 H new ATOM 0 HD21 ASN C 230 -5.274 -6.809 9.018 1.00 43.13 H new ATOM 0 HD22 ASN C 230 -4.585 -7.777 7.711 1.00 43.13 H new ATOM 2220 N THR C 231 -2.900 -8.998 6.348 1.00 70.11 N ATOM 2221 CA THR C 231 -2.803 -10.403 6.574 1.00 30.30 C ATOM 2222 C THR C 231 -3.511 -10.777 7.887 1.00 54.11 C ATOM 2223 O THR C 231 -3.517 -9.987 8.812 1.00 53.31 O ATOM 2224 CB THR C 231 -1.298 -10.751 6.658 1.00 10.13 C ATOM 2225 OG1 THR C 231 -0.624 -10.186 5.521 1.00 53.33 O ATOM 2226 CG2 THR C 231 -1.071 -12.245 6.644 1.00 45.30 C ATOM 0 H THR C 231 -2.123 -8.465 6.740 1.00 70.11 H new ATOM 0 HA THR C 231 -3.281 -10.959 5.768 1.00 30.30 H new ATOM 0 HB THR C 231 -0.911 -10.346 7.593 1.00 10.13 H new ATOM 0 HG1 THR C 231 0.331 -10.400 5.567 1.00 53.33 H new ATOM 0 HG21 THR C 231 -0.002 -12.451 6.704 1.00 45.30 H new ATOM 0 HG22 THR C 231 -1.577 -12.698 7.497 1.00 45.30 H new ATOM 0 HG23 THR C 231 -1.470 -12.665 5.721 1.00 45.30 H new ATOM 2234 N PRO C 232 -4.168 -11.955 7.964 1.00 11.13 N ATOM 2235 CA PRO C 232 -4.778 -12.413 9.204 1.00 31.03 C ATOM 2236 C PRO C 232 -3.785 -13.194 10.101 1.00 61.33 C ATOM 2237 O PRO C 232 -3.985 -13.318 11.308 1.00 42.41 O ATOM 2238 CB PRO C 232 -5.917 -13.338 8.734 1.00 41.21 C ATOM 2239 CG PRO C 232 -5.779 -13.470 7.235 1.00 14.21 C ATOM 2240 CD PRO C 232 -4.447 -12.885 6.854 1.00 53.23 C ATOM 0 HA PRO C 232 -5.117 -11.577 9.816 1.00 31.03 H new ATOM 0 HB2 PRO C 232 -5.848 -14.313 9.216 1.00 41.21 H new ATOM 0 HB3 PRO C 232 -6.889 -12.920 8.998 1.00 41.21 H new ATOM 0 HG2 PRO C 232 -5.839 -14.516 6.934 1.00 14.21 H new ATOM 0 HG3 PRO C 232 -6.588 -12.945 6.727 1.00 14.21 H new ATOM 0 HD2 PRO C 232 -3.678 -13.653 6.767 1.00 53.23 H new ATOM 0 HD3 PRO C 232 -4.492 -12.368 5.895 1.00 53.23 H new ATOM 2248 N ASN C 233 -2.730 -13.720 9.496 1.00 21.12 N ATOM 2249 CA ASN C 233 -1.711 -14.510 10.226 1.00 12.12 C ATOM 2250 C ASN C 233 -0.592 -13.581 10.706 1.00 62.43 C ATOM 2251 O ASN C 233 0.050 -13.826 11.710 1.00 22.12 O ATOM 2252 CB ASN C 233 -1.130 -15.575 9.272 1.00 42.40 C ATOM 2253 CG ASN C 233 -0.177 -16.645 9.879 1.00 15.31 C ATOM 2254 OD1 ASN C 233 -0.107 -17.755 9.362 1.00 51.32 O ATOM 2255 ND2 ASN C 233 0.534 -16.346 10.936 1.00 10.03 N ATOM 0 H ASN C 233 -2.544 -13.621 8.498 1.00 21.12 H new ATOM 0 HA ASN C 233 -2.165 -14.997 11.089 1.00 12.12 H new ATOM 0 HB2 ASN C 233 -1.964 -16.096 8.803 1.00 42.40 H new ATOM 0 HB3 ASN C 233 -0.591 -15.057 8.479 1.00 42.40 H new ATOM 0 HD21 ASN C 233 1.159 -17.041 11.343 1.00 10.03 H new ATOM 0 HD22 ASN C 233 0.463 -15.418 11.353 1.00 10.03 H new ATOM 2262 N CYS C 234 -0.396 -12.514 9.995 1.00 11.01 N ATOM 2263 CA CYS C 234 0.660 -11.574 10.296 1.00 43.32 C ATOM 2264 C CYS C 234 0.061 -10.195 10.461 1.00 73.22 C ATOM 2265 O CYS C 234 -1.049 -9.958 9.994 1.00 14.13 O ATOM 2266 CB CYS C 234 1.741 -11.587 9.185 1.00 21.41 C ATOM 2267 SG CYS C 234 2.665 -13.143 9.039 1.00 0.10 S ATOM 0 H CYS C 234 -0.962 -12.262 9.185 1.00 11.01 H new ATOM 0 HA CYS C 234 1.149 -11.863 11.226 1.00 43.32 H new ATOM 0 HB2 CYS C 234 1.262 -11.374 8.229 1.00 21.41 H new ATOM 0 HB3 CYS C 234 2.447 -10.778 9.375 1.00 21.41 H new ATOM 2272 N ALA C 235 0.784 -9.306 11.125 1.00 63.40 N ATOM 2273 CA ALA C 235 0.311 -7.952 11.453 1.00 14.12 C ATOM 2274 C ALA C 235 -0.141 -7.184 10.214 1.00 74.14 C ATOM 2275 O ALA C 235 -1.329 -6.861 10.046 1.00 61.41 O ATOM 2276 CB ALA C 235 1.427 -7.191 12.151 1.00 11.21 C ATOM 0 H ALA C 235 1.728 -9.498 11.459 1.00 63.40 H new ATOM 0 HA ALA C 235 -0.554 -8.047 12.109 1.00 14.12 H new ATOM 0 HB1 ALA C 235 1.084 -6.186 12.397 1.00 11.21 H new ATOM 0 HB2 ALA C 235 1.707 -7.713 13.066 1.00 11.21 H new ATOM 0 HB3 ALA C 235 2.292 -7.127 11.491 1.00 11.21 H new ATOM 2282 N CYS C 236 0.794 -6.910 9.363 1.00 54.13 N ATOM 2283 CA CYS C 236 0.566 -6.184 8.156 1.00 63.32 C ATOM 2284 C CYS C 236 1.697 -6.577 7.241 1.00 74.24 C ATOM 2285 O CYS C 236 2.752 -6.999 7.733 1.00 32.22 O ATOM 2286 CB CYS C 236 0.589 -4.664 8.456 1.00 20.25 C ATOM 2287 SG CYS C 236 0.122 -3.586 7.059 1.00 20.34 S ATOM 0 H CYS C 236 1.765 -7.193 9.492 1.00 54.13 H new ATOM 0 HA CYS C 236 -0.401 -6.405 7.704 1.00 63.32 H new ATOM 0 HB2 CYS C 236 -0.086 -4.465 9.289 1.00 20.25 H new ATOM 0 HB3 CYS C 236 1.591 -4.390 8.785 1.00 20.25 H new ATOM 2292 N GLN C 237 1.506 -6.503 5.954 1.00 14.13 N ATOM 2293 CA GLN C 237 2.555 -6.904 5.057 1.00 74.11 C ATOM 2294 C GLN C 237 2.515 -6.055 3.816 1.00 34.21 C ATOM 2295 O GLN C 237 1.457 -5.883 3.207 1.00 34.24 O ATOM 2296 CB GLN C 237 2.411 -8.388 4.700 1.00 35.33 C ATOM 2297 CG GLN C 237 3.627 -8.976 3.992 1.00 20.12 C ATOM 2298 CD GLN C 237 4.897 -8.891 4.844 1.00 21.15 C ATOM 2299 OE1 GLN C 237 5.997 -8.801 4.322 1.00 40.34 O ATOM 2300 NE2 GLN C 237 4.736 -8.907 6.157 1.00 64.53 N ATOM 0 H GLN C 237 0.650 -6.175 5.507 1.00 14.13 H new ATOM 0 HA GLN C 237 3.518 -6.763 5.548 1.00 74.11 H new ATOM 0 HB2 GLN C 237 2.226 -8.954 5.613 1.00 35.33 H new ATOM 0 HB3 GLN C 237 1.536 -8.515 4.063 1.00 35.33 H new ATOM 0 HG2 GLN C 237 3.430 -10.018 3.742 1.00 20.12 H new ATOM 0 HG3 GLN C 237 3.787 -8.448 3.052 1.00 20.12 H new ATOM 0 HE21 GLN C 237 3.800 -8.983 6.555 1.00 64.53 H new ATOM 0 HE22 GLN C 237 5.548 -8.843 6.771 1.00 64.53 H new ATOM 2309 N ILE C 238 3.644 -5.520 3.455 1.00 0.05 N ATOM 2310 CA ILE C 238 3.744 -4.676 2.301 1.00 35.42 C ATOM 2311 C ILE C 238 4.678 -5.327 1.304 1.00 2.25 C ATOM 2312 O ILE C 238 5.732 -5.777 1.667 1.00 44.23 O ATOM 2313 CB ILE C 238 4.281 -3.266 2.689 1.00 23.21 C ATOM 2314 CG1 ILE C 238 3.349 -2.617 3.727 1.00 41.33 C ATOM 2315 CG2 ILE C 238 4.418 -2.377 1.453 1.00 45.51 C ATOM 2316 CD1 ILE C 238 3.775 -1.237 4.182 1.00 74.31 C ATOM 0 H ILE C 238 4.523 -5.657 3.953 1.00 0.05 H new ATOM 0 HA ILE C 238 2.754 -4.550 1.862 1.00 35.42 H new ATOM 0 HB ILE C 238 5.272 -3.379 3.130 1.00 23.21 H new ATOM 0 HG12 ILE C 238 2.346 -2.552 3.305 1.00 41.33 H new ATOM 0 HG13 ILE C 238 3.287 -3.269 4.598 1.00 41.33 H new ATOM 0 HG21 ILE C 238 4.794 -1.398 1.749 1.00 45.51 H new ATOM 0 HG22 ILE C 238 5.113 -2.836 0.750 1.00 45.51 H new ATOM 0 HG23 ILE C 238 3.444 -2.263 0.977 1.00 45.51 H new ATOM 0 HD11 ILE C 238 3.060 -0.858 4.912 1.00 74.31 H new ATOM 0 HD12 ILE C 238 4.764 -1.293 4.637 1.00 74.31 H new ATOM 0 HD13 ILE C 238 3.808 -0.565 3.324 1.00 74.31 H new ATOM 2328 N VAL C 239 4.268 -5.413 0.077 1.00 54.35 N ATOM 2329 CA VAL C 239 5.088 -5.985 -0.966 1.00 1.33 C ATOM 2330 C VAL C 239 5.307 -4.936 -2.048 1.00 71.50 C ATOM 2331 O VAL C 239 4.365 -4.283 -2.475 1.00 24.24 O ATOM 2332 CB VAL C 239 4.434 -7.249 -1.580 1.00 75.15 C ATOM 2333 CG1 VAL C 239 5.361 -7.898 -2.596 1.00 61.13 C ATOM 2334 CG2 VAL C 239 4.041 -8.247 -0.490 1.00 74.13 C ATOM 0 H VAL C 239 3.354 -5.090 -0.239 1.00 54.35 H new ATOM 0 HA VAL C 239 6.041 -6.288 -0.532 1.00 1.33 H new ATOM 0 HB VAL C 239 3.526 -6.940 -2.097 1.00 75.15 H new ATOM 0 HG11 VAL C 239 4.881 -8.783 -3.013 1.00 61.13 H new ATOM 0 HG12 VAL C 239 5.576 -7.190 -3.397 1.00 61.13 H new ATOM 0 HG13 VAL C 239 6.292 -8.187 -2.107 1.00 61.13 H new ATOM 0 HG21 VAL C 239 3.584 -9.125 -0.948 1.00 74.13 H new ATOM 0 HG22 VAL C 239 4.929 -8.548 0.065 1.00 74.13 H new ATOM 0 HG23 VAL C 239 3.329 -7.781 0.191 1.00 74.13 H new ATOM 2344 N ALA C 240 6.521 -4.779 -2.484 1.00 12.22 N ATOM 2345 CA ALA C 240 6.852 -3.757 -3.437 1.00 24.42 C ATOM 2346 C ALA C 240 7.656 -4.314 -4.590 1.00 41.41 C ATOM 2347 O ALA C 240 8.447 -5.244 -4.425 1.00 63.15 O ATOM 2348 CB ALA C 240 7.638 -2.653 -2.754 1.00 0.34 C ATOM 0 H ALA C 240 7.311 -5.354 -2.191 1.00 12.22 H new ATOM 0 HA ALA C 240 5.920 -3.356 -3.836 1.00 24.42 H new ATOM 0 HB1 ALA C 240 7.887 -1.880 -3.481 1.00 0.34 H new ATOM 0 HB2 ALA C 240 7.037 -2.219 -1.955 1.00 0.34 H new ATOM 0 HB3 ALA C 240 8.556 -3.066 -2.335 1.00 0.34 H new ATOM 2354 N ARG C 241 7.445 -3.769 -5.763 1.00 63.43 N ATOM 2355 CA ARG C 241 8.242 -4.157 -6.887 1.00 41.33 C ATOM 2356 C ARG C 241 9.354 -3.195 -7.112 1.00 13.23 C ATOM 2357 O ARG C 241 9.152 -1.974 -7.149 1.00 21.11 O ATOM 2358 CB ARG C 241 7.460 -4.461 -8.166 1.00 12.31 C ATOM 2359 CG ARG C 241 6.701 -5.765 -8.096 1.00 24.44 C ATOM 2360 CD ARG C 241 6.131 -6.163 -9.443 1.00 32.14 C ATOM 2361 NE ARG C 241 5.594 -7.527 -9.402 1.00 55.33 N ATOM 2362 CZ ARG C 241 5.225 -8.253 -10.465 1.00 51.10 C ATOM 2363 NH1 ARG C 241 5.295 -7.745 -11.682 1.00 23.44 N ATOM 2364 NH2 ARG C 241 4.799 -9.494 -10.296 1.00 55.42 N ATOM 0 H ARG C 241 6.735 -3.063 -5.958 1.00 63.43 H new ATOM 0 HA ARG C 241 8.672 -5.121 -6.616 1.00 41.33 H new ATOM 0 HB2 ARG C 241 6.759 -3.649 -8.359 1.00 12.31 H new ATOM 0 HB3 ARG C 241 8.150 -4.493 -9.009 1.00 12.31 H new ATOM 0 HG2 ARG C 241 7.364 -6.552 -7.736 1.00 24.44 H new ATOM 0 HG3 ARG C 241 5.891 -5.675 -7.372 1.00 24.44 H new ATOM 0 HD2 ARG C 241 5.343 -5.466 -9.729 1.00 32.14 H new ATOM 0 HD3 ARG C 241 6.908 -6.096 -10.205 1.00 32.14 H new ATOM 0 HE ARG C 241 5.493 -7.960 -8.484 1.00 55.33 H new ATOM 0 HH11 ARG C 241 5.632 -6.792 -11.818 1.00 23.44 H new ATOM 0 HH12 ARG C 241 5.012 -8.306 -12.486 1.00 23.44 H new ATOM 0 HH21 ARG C 241 4.753 -9.894 -9.359 1.00 55.42 H new ATOM 0 HH22 ARG C 241 4.517 -10.051 -11.103 1.00 55.42 H new ATOM 2378 N LEU C 242 10.512 -3.760 -7.242 1.00 52.12 N ATOM 2379 CA LEU C 242 11.757 -3.061 -7.381 1.00 51.25 C ATOM 2380 C LEU C 242 11.793 -2.484 -8.820 1.00 10.11 C ATOM 2381 O LEU C 242 11.267 -3.128 -9.741 1.00 30.33 O ATOM 2382 CB LEU C 242 12.842 -4.143 -7.156 1.00 4.33 C ATOM 2383 CG LEU C 242 14.214 -3.745 -6.631 1.00 1.41 C ATOM 2384 CD1 LEU C 242 14.927 -2.797 -7.554 1.00 42.41 C ATOM 2385 CD2 LEU C 242 14.111 -3.218 -5.187 1.00 53.34 C ATOM 0 H LEU C 242 10.624 -4.774 -7.255 1.00 52.12 H new ATOM 0 HA LEU C 242 11.903 -2.235 -6.685 1.00 51.25 H new ATOM 0 HB2 LEU C 242 12.430 -4.877 -6.463 1.00 4.33 H new ATOM 0 HB3 LEU C 242 12.994 -4.653 -8.107 1.00 4.33 H new ATOM 0 HG LEU C 242 14.836 -4.640 -6.604 1.00 1.41 H new ATOM 0 HD11 LEU C 242 15.901 -2.544 -7.134 1.00 42.41 H new ATOM 0 HD12 LEU C 242 15.063 -3.270 -8.527 1.00 42.41 H new ATOM 0 HD13 LEU C 242 14.335 -1.889 -7.671 1.00 42.41 H new ATOM 0 HD21 LEU C 242 15.102 -2.939 -4.830 1.00 53.34 H new ATOM 0 HD22 LEU C 242 13.458 -2.346 -5.164 1.00 53.34 H new ATOM 0 HD23 LEU C 242 13.700 -3.996 -4.544 1.00 53.34 H new ATOM 2397 N LYS C 243 12.376 -1.270 -9.003 1.00 72.01 N ATOM 2398 CA LYS C 243 12.410 -0.577 -10.282 1.00 71.11 C ATOM 2399 C LYS C 243 12.763 -1.434 -11.483 1.00 45.44 C ATOM 2400 O LYS C 243 13.564 -2.405 -11.392 1.00 22.32 O ATOM 2401 CB LYS C 243 13.278 0.619 -10.176 1.00 51.32 C ATOM 2402 CG LYS C 243 12.832 1.496 -9.050 1.00 2.51 C ATOM 2403 CD LYS C 243 13.564 2.768 -9.012 1.00 40.35 C ATOM 2404 CE LYS C 243 15.072 2.592 -8.911 1.00 40.32 C ATOM 2405 NZ LYS C 243 15.744 3.889 -8.703 1.00 54.20 N ATOM 0 H LYS C 243 12.834 -0.756 -8.250 1.00 72.01 H new ATOM 0 HA LYS C 243 11.383 -0.275 -10.487 1.00 71.11 H new ATOM 0 HB2 LYS C 243 14.312 0.312 -10.017 1.00 51.32 H new ATOM 0 HB3 LYS C 243 13.252 1.178 -11.111 1.00 51.32 H new ATOM 0 HG2 LYS C 243 11.765 1.696 -9.149 1.00 2.51 H new ATOM 0 HG3 LYS C 243 12.972 0.970 -8.105 1.00 2.51 H new ATOM 0 HD2 LYS C 243 13.331 3.340 -9.910 1.00 40.35 H new ATOM 0 HD3 LYS C 243 13.216 3.354 -8.162 1.00 40.35 H new ATOM 0 HE2 LYS C 243 15.309 1.920 -8.086 1.00 40.32 H new ATOM 0 HE3 LYS C 243 15.449 2.125 -9.821 1.00 40.32 H new ATOM 0 HZ1 LYS C 243 16.768 3.737 -8.604 1.00 54.20 H new ATOM 0 HZ2 LYS C 243 15.563 4.508 -9.519 1.00 54.20 H new ATOM 0 HZ3 LYS C 243 15.375 4.337 -7.840 1.00 54.20 H new ATOM 2461 N ARG C 247 13.575 -7.322 -9.352 1.00 15.40 N ATOM 2462 CA ARG C 247 13.103 -8.307 -8.409 1.00 63.32 C ATOM 2463 C ARG C 247 11.805 -7.765 -7.813 1.00 72.14 C ATOM 2464 O ARG C 247 11.390 -6.648 -8.154 1.00 31.33 O ATOM 2465 CB ARG C 247 14.168 -8.487 -7.310 1.00 24.22 C ATOM 2466 CG ARG C 247 14.392 -7.226 -6.531 1.00 5.34 C ATOM 2467 CD ARG C 247 15.701 -7.200 -5.786 1.00 5.50 C ATOM 2468 NE ARG C 247 15.867 -8.230 -4.747 1.00 22.53 N ATOM 2469 CZ ARG C 247 15.989 -7.978 -3.413 1.00 32.15 C ATOM 2470 NH1 ARG C 247 15.779 -6.753 -2.932 1.00 5.21 N ATOM 2471 NH2 ARG C 247 16.289 -8.957 -2.572 1.00 2.34 N ATOM 0 HA ARG C 247 12.926 -9.273 -8.881 1.00 63.32 H new ATOM 0 HB2 ARG C 247 13.858 -9.282 -6.632 1.00 24.22 H new ATOM 0 HB3 ARG C 247 15.107 -8.804 -7.764 1.00 24.22 H new ATOM 0 HG2 ARG C 247 14.355 -6.377 -7.213 1.00 5.34 H new ATOM 0 HG3 ARG C 247 13.576 -7.099 -5.819 1.00 5.34 H new ATOM 0 HD2 ARG C 247 16.511 -7.305 -6.508 1.00 5.50 H new ATOM 0 HD3 ARG C 247 15.814 -6.220 -5.321 1.00 5.50 H new ATOM 0 HE ARG C 247 15.893 -9.204 -5.048 1.00 22.53 H new ATOM 0 HH11 ARG C 247 15.524 -5.994 -3.564 1.00 5.21 H new ATOM 0 HH12 ARG C 247 15.873 -6.575 -1.932 1.00 5.21 H new ATOM 0 HH21 ARG C 247 16.430 -9.905 -2.922 1.00 2.34 H new ATOM 0 HH22 ARG C 247 16.379 -8.763 -1.575 1.00 2.34 H new ATOM 2485 N GLN C 248 11.180 -8.509 -6.962 1.00 53.14 N ATOM 2486 CA GLN C 248 10.021 -8.022 -6.242 1.00 72.32 C ATOM 2487 C GLN C 248 10.195 -8.445 -4.822 1.00 40.24 C ATOM 2488 O GLN C 248 10.555 -9.590 -4.559 1.00 3.14 O ATOM 2489 CB GLN C 248 8.674 -8.492 -6.847 1.00 42.53 C ATOM 2490 CG GLN C 248 8.403 -9.982 -6.817 1.00 62.32 C ATOM 2491 CD GLN C 248 7.061 -10.332 -7.445 1.00 54.40 C ATOM 2492 OE1 GLN C 248 6.103 -9.532 -7.430 1.00 41.42 O ATOM 2493 NE2 GLN C 248 6.965 -11.511 -7.991 1.00 74.24 N ATOM 0 H GLN C 248 11.446 -9.468 -6.738 1.00 53.14 H new ATOM 0 HA GLN C 248 9.965 -6.936 -6.318 1.00 72.32 H new ATOM 0 HB2 GLN C 248 7.867 -7.988 -6.316 1.00 42.53 H new ATOM 0 HB3 GLN C 248 8.631 -8.158 -7.884 1.00 42.53 H new ATOM 0 HG2 GLN C 248 9.199 -10.506 -7.347 1.00 62.32 H new ATOM 0 HG3 GLN C 248 8.423 -10.333 -5.785 1.00 62.32 H new ATOM 0 HE21 GLN C 248 7.767 -12.142 -7.987 1.00 74.24 H new ATOM 0 HE22 GLN C 248 6.088 -11.803 -8.423 1.00 74.24 H new ATOM 2502 N VAL C 249 10.002 -7.547 -3.915 1.00 72.51 N ATOM 2503 CA VAL C 249 10.351 -7.799 -2.545 1.00 25.01 C ATOM 2504 C VAL C 249 9.256 -7.438 -1.582 1.00 32.43 C ATOM 2505 O VAL C 249 8.389 -6.633 -1.882 1.00 13.01 O ATOM 2506 CB VAL C 249 11.717 -7.133 -2.152 1.00 74.21 C ATOM 2507 CG1 VAL C 249 12.812 -7.749 -2.946 1.00 43.25 C ATOM 2508 CG2 VAL C 249 11.723 -5.630 -2.378 1.00 42.33 C ATOM 0 H VAL C 249 9.603 -6.625 -4.093 1.00 72.51 H new ATOM 0 HA VAL C 249 10.482 -8.878 -2.465 1.00 25.01 H new ATOM 0 HB VAL C 249 11.865 -7.305 -1.086 1.00 74.21 H new ATOM 0 HG11 VAL C 249 13.762 -7.288 -2.675 1.00 43.25 H new ATOM 0 HG12 VAL C 249 12.855 -8.818 -2.738 1.00 43.25 H new ATOM 0 HG13 VAL C 249 12.623 -7.593 -4.008 1.00 43.25 H new ATOM 0 HG21 VAL C 249 12.692 -5.223 -2.089 1.00 42.33 H new ATOM 0 HG22 VAL C 249 11.540 -5.420 -3.432 1.00 42.33 H new ATOM 0 HG23 VAL C 249 10.941 -5.168 -1.775 1.00 42.33 H new ATOM 2518 N CYS C 250 9.300 -8.036 -0.434 1.00 0.31 N ATOM 2519 CA CYS C 250 8.329 -7.781 0.583 1.00 70.22 C ATOM 2520 C CYS C 250 8.995 -6.855 1.538 1.00 0.21 C ATOM 2521 O CYS C 250 10.129 -7.085 1.916 1.00 3.41 O ATOM 2522 CB CYS C 250 7.952 -9.081 1.296 1.00 13.24 C ATOM 2523 SG CYS C 250 7.354 -10.401 0.182 1.00 2.35 S ATOM 0 H CYS C 250 10.013 -8.718 -0.174 1.00 0.31 H new ATOM 0 HA CYS C 250 7.413 -7.359 0.171 1.00 70.22 H new ATOM 0 HB2 CYS C 250 8.821 -9.448 1.842 1.00 13.24 H new ATOM 0 HB3 CYS C 250 7.179 -8.866 2.034 1.00 13.24 H new ATOM 2528 N ILE C 251 8.320 -5.822 1.904 1.00 34.22 N ATOM 2529 CA ILE C 251 8.908 -4.749 2.638 1.00 45.41 C ATOM 2530 C ILE C 251 8.446 -4.795 4.076 1.00 24.01 C ATOM 2531 O ILE C 251 7.299 -5.162 4.373 1.00 25.43 O ATOM 2532 CB ILE C 251 8.487 -3.373 2.039 1.00 23.51 C ATOM 2533 CG1 ILE C 251 8.602 -3.375 0.510 1.00 20.50 C ATOM 2534 CG2 ILE C 251 9.365 -2.255 2.607 1.00 2.11 C ATOM 2535 CD1 ILE C 251 9.999 -3.567 -0.025 1.00 61.21 C ATOM 0 H ILE C 251 7.329 -5.694 1.700 1.00 34.22 H new ATOM 0 HA ILE C 251 9.991 -4.859 2.580 1.00 45.41 H new ATOM 0 HB ILE C 251 7.446 -3.199 2.313 1.00 23.51 H new ATOM 0 HG12 ILE C 251 7.966 -4.167 0.114 1.00 20.50 H new ATOM 0 HG13 ILE C 251 8.210 -2.431 0.130 1.00 20.50 H new ATOM 0 HG21 ILE C 251 9.060 -1.300 2.180 1.00 2.11 H new ATOM 0 HG22 ILE C 251 9.254 -2.220 3.691 1.00 2.11 H new ATOM 0 HG23 ILE C 251 10.408 -2.448 2.355 1.00 2.11 H new ATOM 0 HD11 ILE C 251 9.976 -3.554 -1.115 1.00 61.21 H new ATOM 0 HD12 ILE C 251 10.640 -2.762 0.334 1.00 61.21 H new ATOM 0 HD13 ILE C 251 10.392 -4.524 0.318 1.00 61.21 H new ATOM 2547 N ASP C 252 9.346 -4.443 4.933 1.00 30.05 N ATOM 2548 CA ASP C 252 9.124 -4.339 6.351 1.00 43.21 C ATOM 2549 C ASP C 252 8.206 -3.153 6.626 1.00 2.00 C ATOM 2550 O ASP C 252 8.543 -2.027 6.309 1.00 45.30 O ATOM 2551 CB ASP C 252 10.493 -4.137 7.019 1.00 52.12 C ATOM 2552 CG ASP C 252 10.464 -3.941 8.511 1.00 55.42 C ATOM 2553 OD1 ASP C 252 9.918 -4.792 9.222 1.00 13.41 O ATOM 2554 OD2 ASP C 252 11.064 -2.972 8.979 1.00 34.24 O ATOM 0 H ASP C 252 10.300 -4.208 4.660 1.00 30.05 H new ATOM 0 HA ASP C 252 8.649 -5.236 6.748 1.00 43.21 H new ATOM 0 HB2 ASP C 252 11.118 -5.002 6.796 1.00 52.12 H new ATOM 0 HB3 ASP C 252 10.975 -3.271 6.566 1.00 52.12 H new ATOM 2559 N PRO C 253 7.012 -3.385 7.195 1.00 20.21 N ATOM 2560 CA PRO C 253 6.059 -2.301 7.492 1.00 22.11 C ATOM 2561 C PRO C 253 6.486 -1.510 8.733 1.00 41.12 C ATOM 2562 O PRO C 253 5.864 -0.521 9.124 1.00 0.42 O ATOM 2563 CB PRO C 253 4.746 -3.048 7.746 1.00 14.15 C ATOM 2564 CG PRO C 253 5.154 -4.401 8.229 1.00 11.41 C ATOM 2565 CD PRO C 253 6.484 -4.713 7.581 1.00 12.15 C ATOM 0 HA PRO C 253 5.988 -1.567 6.689 1.00 22.11 H new ATOM 0 HB2 PRO C 253 4.136 -2.532 8.488 1.00 14.15 H new ATOM 0 HB3 PRO C 253 4.150 -3.118 6.836 1.00 14.15 H new ATOM 0 HG2 PRO C 253 5.241 -4.414 9.315 1.00 11.41 H new ATOM 0 HG3 PRO C 253 4.408 -5.149 7.960 1.00 11.41 H new ATOM 0 HD2 PRO C 253 7.155 -5.224 8.272 1.00 12.15 H new ATOM 0 HD3 PRO C 253 6.363 -5.362 6.714 1.00 12.15 H new ATOM 2573 N LYS C 254 7.563 -1.957 9.311 1.00 3.55 N ATOM 2574 CA LYS C 254 8.133 -1.406 10.510 1.00 62.14 C ATOM 2575 C LYS C 254 9.285 -0.456 10.128 1.00 2.33 C ATOM 2576 O LYS C 254 9.874 0.218 10.965 1.00 60.21 O ATOM 2577 CB LYS C 254 8.662 -2.595 11.306 1.00 70.35 C ATOM 2578 CG LYS C 254 7.572 -3.635 11.624 1.00 40.22 C ATOM 2579 CD LYS C 254 8.157 -4.971 12.068 1.00 33.31 C ATOM 2580 CE LYS C 254 9.028 -4.830 13.284 1.00 35.21 C ATOM 2581 NZ LYS C 254 9.660 -6.103 13.668 1.00 34.20 N ATOM 0 H LYS C 254 8.092 -2.749 8.945 1.00 3.55 H new ATOM 0 HA LYS C 254 7.408 -0.838 11.092 1.00 62.14 H new ATOM 0 HB2 LYS C 254 9.462 -3.075 10.743 1.00 70.35 H new ATOM 0 HB3 LYS C 254 9.098 -2.237 12.238 1.00 70.35 H new ATOM 0 HG2 LYS C 254 6.921 -3.248 12.408 1.00 40.22 H new ATOM 0 HG3 LYS C 254 6.951 -3.788 10.741 1.00 40.22 H new ATOM 0 HD2 LYS C 254 7.347 -5.668 12.282 1.00 33.31 H new ATOM 0 HD3 LYS C 254 8.740 -5.400 11.253 1.00 33.31 H new ATOM 0 HE2 LYS C 254 9.801 -4.087 13.090 1.00 35.21 H new ATOM 0 HE3 LYS C 254 8.430 -4.458 14.116 1.00 35.21 H new ATOM 0 HZ1 LYS C 254 10.377 -5.927 14.400 1.00 34.20 H new ATOM 0 HZ2 LYS C 254 8.937 -6.751 14.040 1.00 34.20 H new ATOM 0 HZ3 LYS C 254 10.113 -6.531 12.835 1.00 34.20 H new ATOM 2595 N LEU C 255 9.560 -0.415 8.854 1.00 52.51 N ATOM 2596 CA LEU C 255 10.641 0.343 8.283 1.00 53.41 C ATOM 2597 C LEU C 255 10.357 1.847 8.433 1.00 4.14 C ATOM 2598 O LEU C 255 9.211 2.283 8.261 1.00 44.32 O ATOM 2599 CB LEU C 255 10.682 -0.025 6.819 1.00 14.10 C ATOM 2600 CG LEU C 255 12.023 -0.164 6.170 1.00 53.52 C ATOM 2601 CD1 LEU C 255 11.854 -0.563 4.727 1.00 42.51 C ATOM 2602 CD2 LEU C 255 12.838 1.085 6.285 1.00 23.50 C ATOM 0 H LEU C 255 9.018 -0.927 8.158 1.00 52.51 H new ATOM 0 HA LEU C 255 11.588 0.127 8.778 1.00 53.41 H new ATOM 0 HB2 LEU C 255 10.152 -0.969 6.696 1.00 14.10 H new ATOM 0 HB3 LEU C 255 10.121 0.730 6.268 1.00 14.10 H new ATOM 0 HG LEU C 255 12.570 -0.946 6.697 1.00 53.52 H new ATOM 0 HD11 LEU C 255 12.834 -0.663 4.260 1.00 42.51 H new ATOM 0 HD12 LEU C 255 11.327 -1.516 4.672 1.00 42.51 H new ATOM 0 HD13 LEU C 255 11.278 0.200 4.203 1.00 42.51 H new ATOM 0 HD21 LEU C 255 13.802 0.936 5.800 1.00 23.50 H new ATOM 0 HD22 LEU C 255 12.312 1.908 5.802 1.00 23.50 H new ATOM 0 HD23 LEU C 255 12.994 1.322 7.337 1.00 23.50 H new ATOM 2614 N LYS C 256 11.395 2.645 8.720 1.00 52.20 N ATOM 2615 CA LYS C 256 11.213 4.071 8.925 1.00 13.21 C ATOM 2616 C LYS C 256 10.667 4.816 7.716 1.00 44.22 C ATOM 2617 O LYS C 256 9.805 5.668 7.875 1.00 72.42 O ATOM 2618 CB LYS C 256 12.428 4.782 9.517 1.00 32.22 C ATOM 2619 CG LYS C 256 12.176 6.277 9.692 1.00 55.32 C ATOM 2620 CD LYS C 256 13.251 6.958 10.471 1.00 3.15 C ATOM 2621 CE LYS C 256 13.017 8.468 10.527 1.00 5.51 C ATOM 2622 NZ LYS C 256 11.659 8.825 11.032 1.00 74.43 N ATOM 0 H LYS C 256 12.358 2.322 8.813 1.00 52.20 H new ATOM 0 HA LYS C 256 10.433 4.108 9.686 1.00 13.21 H new ATOM 0 HB2 LYS C 256 12.675 4.339 10.482 1.00 32.22 H new ATOM 0 HB3 LYS C 256 13.290 4.632 8.867 1.00 32.22 H new ATOM 0 HG2 LYS C 256 12.094 6.744 8.711 1.00 55.32 H new ATOM 0 HG3 LYS C 256 11.221 6.423 10.196 1.00 55.32 H new ATOM 0 HD2 LYS C 256 13.283 6.554 11.483 1.00 3.15 H new ATOM 0 HD3 LYS C 256 14.220 6.754 10.015 1.00 3.15 H new ATOM 0 HE2 LYS C 256 13.770 8.924 11.170 1.00 5.51 H new ATOM 0 HE3 LYS C 256 13.151 8.889 9.531 1.00 5.51 H new ATOM 0 HZ1 LYS C 256 11.707 9.726 11.550 1.00 74.43 H new ATOM 0 HZ2 LYS C 256 11.005 8.922 10.230 1.00 74.43 H new ATOM 0 HZ3 LYS C 256 11.318 8.077 11.669 1.00 74.43 H new ATOM 2636 N TRP C 257 11.128 4.520 6.500 1.00 72.12 N ATOM 2637 CA TRP C 257 10.547 5.234 5.373 1.00 2.23 C ATOM 2638 C TRP C 257 9.093 4.864 5.170 1.00 63.43 C ATOM 2639 O TRP C 257 8.337 5.646 4.660 1.00 34.45 O ATOM 2640 CB TRP C 257 11.361 5.211 4.071 1.00 4.13 C ATOM 2641 CG TRP C 257 11.546 3.889 3.421 1.00 41.33 C ATOM 2642 CD1 TRP C 257 12.611 3.079 3.540 1.00 62.03 C ATOM 2643 CD2 TRP C 257 10.645 3.239 2.507 1.00 54.51 C ATOM 2644 NE1 TRP C 257 12.446 1.969 2.773 1.00 24.52 N ATOM 2645 CE2 TRP C 257 11.247 2.039 2.126 1.00 74.14 C ATOM 2646 CE3 TRP C 257 9.390 3.562 1.976 1.00 44.02 C ATOM 2647 CZ2 TRP C 257 10.649 1.147 1.241 1.00 70.12 C ATOM 2648 CZ3 TRP C 257 8.797 2.679 1.097 1.00 0.11 C ATOM 2649 CH2 TRP C 257 9.430 1.484 0.737 1.00 52.32 C ATOM 0 H TRP C 257 11.853 3.837 6.281 1.00 72.12 H new ATOM 0 HA TRP C 257 10.590 6.284 5.663 1.00 2.23 H new ATOM 0 HB2 TRP C 257 10.877 5.876 3.356 1.00 4.13 H new ATOM 0 HB3 TRP C 257 12.346 5.628 4.279 1.00 4.13 H new ATOM 0 HD1 TRP C 257 13.474 3.281 4.157 1.00 62.03 H new ATOM 0 HE1 TRP C 257 13.115 1.203 2.694 1.00 24.52 H new ATOM 0 HE3 TRP C 257 8.897 4.483 2.249 1.00 44.02 H new ATOM 0 HZ2 TRP C 257 11.134 0.222 0.964 1.00 70.12 H new ATOM 0 HZ3 TRP C 257 7.829 2.914 0.680 1.00 0.11 H new ATOM 0 HH2 TRP C 257 8.941 0.815 0.045 1.00 52.32 H new ATOM 2660 N ILE C 258 8.717 3.654 5.591 1.00 31.01 N ATOM 2661 CA ILE C 258 7.317 3.241 5.588 1.00 63.52 C ATOM 2662 C ILE C 258 6.558 4.110 6.593 1.00 43.11 C ATOM 2663 O ILE C 258 5.463 4.610 6.300 1.00 42.32 O ATOM 2664 CB ILE C 258 7.153 1.736 5.966 1.00 62.51 C ATOM 2665 CG1 ILE C 258 7.784 0.819 4.905 1.00 3.22 C ATOM 2666 CG2 ILE C 258 5.682 1.375 6.182 1.00 32.01 C ATOM 2667 CD1 ILE C 258 7.122 0.884 3.554 1.00 11.52 C ATOM 0 H ILE C 258 9.364 2.946 5.937 1.00 31.01 H new ATOM 0 HA ILE C 258 6.917 3.368 4.582 1.00 63.52 H new ATOM 0 HB ILE C 258 7.683 1.579 6.906 1.00 62.51 H new ATOM 0 HG12 ILE C 258 8.836 1.082 4.794 1.00 3.22 H new ATOM 0 HG13 ILE C 258 7.749 -0.210 5.264 1.00 3.22 H new ATOM 0 HG21 ILE C 258 5.601 0.320 6.444 1.00 32.01 H new ATOM 0 HG22 ILE C 258 5.273 1.982 6.990 1.00 32.01 H new ATOM 0 HG23 ILE C 258 5.122 1.565 5.266 1.00 32.01 H new ATOM 0 HD11 ILE C 258 7.630 0.207 2.867 1.00 11.52 H new ATOM 0 HD12 ILE C 258 6.076 0.590 3.647 1.00 11.52 H new ATOM 0 HD13 ILE C 258 7.180 1.902 3.169 1.00 11.52 H new ATOM 2679 N GLN C 259 7.178 4.303 7.766 1.00 41.24 N ATOM 2680 CA GLN C 259 6.632 5.145 8.830 1.00 54.24 C ATOM 2681 C GLN C 259 6.366 6.557 8.286 1.00 31.24 C ATOM 2682 O GLN C 259 5.331 7.161 8.557 1.00 22.43 O ATOM 2683 CB GLN C 259 7.612 5.239 10.012 1.00 14.33 C ATOM 2684 CG GLN C 259 8.000 3.908 10.664 1.00 15.03 C ATOM 2685 CD GLN C 259 6.860 3.192 11.351 1.00 51.03 C ATOM 2686 OE1 GLN C 259 6.604 3.419 12.532 1.00 43.41 O ATOM 2687 NE2 GLN C 259 6.197 2.304 10.651 1.00 72.32 N ATOM 0 H GLN C 259 8.075 3.877 8.000 1.00 41.24 H new ATOM 0 HA GLN C 259 5.702 4.696 9.178 1.00 54.24 H new ATOM 0 HB2 GLN C 259 8.521 5.732 9.667 1.00 14.33 H new ATOM 0 HB3 GLN C 259 7.171 5.881 10.775 1.00 14.33 H new ATOM 0 HG2 GLN C 259 8.417 3.252 9.900 1.00 15.03 H new ATOM 0 HG3 GLN C 259 8.789 4.091 11.393 1.00 15.03 H new ATOM 0 HE21 GLN C 259 6.438 2.143 9.673 1.00 72.32 H new ATOM 0 HE22 GLN C 259 5.440 1.775 11.084 1.00 72.32 H new ATOM 2696 N GLU C 260 7.316 7.062 7.516 1.00 55.14 N ATOM 2697 CA GLU C 260 7.205 8.356 6.888 1.00 41.11 C ATOM 2698 C GLU C 260 6.142 8.327 5.784 1.00 1.24 C ATOM 2699 O GLU C 260 5.252 9.185 5.732 1.00 40.55 O ATOM 2700 CB GLU C 260 8.545 8.734 6.245 1.00 41.23 C ATOM 2701 CG GLU C 260 9.747 8.780 7.183 1.00 12.23 C ATOM 2702 CD GLU C 260 9.584 9.756 8.315 1.00 2.44 C ATOM 2703 OE1 GLU C 260 9.503 10.969 8.063 1.00 41.13 O ATOM 2704 OE2 GLU C 260 9.533 9.321 9.479 1.00 61.43 O ATOM 0 H GLU C 260 8.190 6.577 7.312 1.00 55.14 H new ATOM 0 HA GLU C 260 6.926 9.082 7.652 1.00 41.11 H new ATOM 0 HB2 GLU C 260 8.758 8.020 5.449 1.00 41.23 H new ATOM 0 HB3 GLU C 260 8.437 9.712 5.776 1.00 41.23 H new ATOM 0 HG2 GLU C 260 9.917 7.784 7.593 1.00 12.23 H new ATOM 0 HG3 GLU C 260 10.636 9.045 6.610 1.00 12.23 H new ATOM 2711 N TYR C 261 6.249 7.312 4.930 1.00 31.01 N ATOM 2712 CA TYR C 261 5.444 7.149 3.721 1.00 41.35 C ATOM 2713 C TYR C 261 3.957 7.126 4.026 1.00 74.41 C ATOM 2714 O TYR C 261 3.197 7.904 3.452 1.00 23.34 O ATOM 2715 CB TYR C 261 5.846 5.851 2.999 1.00 54.42 C ATOM 2716 CG TYR C 261 5.410 5.757 1.553 1.00 71.44 C ATOM 2717 CD1 TYR C 261 4.137 5.332 1.191 1.00 22.44 C ATOM 2718 CD2 TYR C 261 6.298 6.098 0.545 1.00 5.13 C ATOM 2719 CE1 TYR C 261 3.766 5.254 -0.140 1.00 2.44 C ATOM 2720 CE2 TYR C 261 5.945 6.024 -0.779 1.00 53.44 C ATOM 2721 CZ TYR C 261 4.674 5.601 -1.121 1.00 54.51 C ATOM 2722 OH TYR C 261 4.316 5.530 -2.446 1.00 41.23 O ATOM 0 H TYR C 261 6.920 6.556 5.064 1.00 31.01 H new ATOM 0 HA TYR C 261 5.637 8.008 3.078 1.00 41.35 H new ATOM 0 HB2 TYR C 261 6.931 5.751 3.042 1.00 54.42 H new ATOM 0 HB3 TYR C 261 5.426 5.006 3.544 1.00 54.42 H new ATOM 0 HD1 TYR C 261 3.428 5.059 1.959 1.00 22.44 H new ATOM 0 HD2 TYR C 261 7.292 6.430 0.808 1.00 5.13 H new ATOM 0 HE1 TYR C 261 2.774 4.924 -0.410 1.00 2.44 H new ATOM 0 HE2 TYR C 261 6.654 6.294 -1.547 1.00 53.44 H new ATOM 0 HH TYR C 261 3.354 5.693 -2.534 1.00 41.23 H new ATOM 2732 N LEU C 262 3.553 6.251 4.930 1.00 13.35 N ATOM 2733 CA LEU C 262 2.145 6.109 5.277 1.00 73.14 C ATOM 2734 C LEU C 262 1.628 7.380 5.899 1.00 53.33 C ATOM 2735 O LEU C 262 0.590 7.886 5.512 1.00 53.10 O ATOM 2736 CB LEU C 262 1.940 4.953 6.249 1.00 40.02 C ATOM 2737 CG LEU C 262 2.391 3.572 5.777 1.00 3.40 C ATOM 2738 CD1 LEU C 262 2.166 2.535 6.870 1.00 31.31 C ATOM 2739 CD2 LEU C 262 1.666 3.160 4.513 1.00 1.41 C ATOM 0 H LEU C 262 4.179 5.626 5.439 1.00 13.35 H new ATOM 0 HA LEU C 262 1.593 5.903 4.360 1.00 73.14 H new ATOM 0 HB2 LEU C 262 2.470 5.187 7.172 1.00 40.02 H new ATOM 0 HB3 LEU C 262 0.879 4.899 6.495 1.00 40.02 H new ATOM 0 HG LEU C 262 3.457 3.628 5.555 1.00 3.40 H new ATOM 0 HD11 LEU C 262 2.493 1.557 6.517 1.00 31.31 H new ATOM 0 HD12 LEU C 262 2.738 2.810 7.756 1.00 31.31 H new ATOM 0 HD13 LEU C 262 1.106 2.495 7.121 1.00 31.31 H new ATOM 0 HD21 LEU C 262 2.009 2.173 4.202 1.00 1.41 H new ATOM 0 HD22 LEU C 262 0.593 3.128 4.703 1.00 1.41 H new ATOM 0 HD23 LEU C 262 1.874 3.882 3.723 1.00 1.41 H new ATOM 2751 N GLU C 263 2.382 7.902 6.848 1.00 53.12 N ATOM 2752 CA GLU C 263 2.007 9.103 7.566 1.00 63.13 C ATOM 2753 C GLU C 263 1.845 10.320 6.602 1.00 64.33 C ATOM 2754 O GLU C 263 0.935 11.120 6.763 1.00 3.35 O ATOM 2755 CB GLU C 263 3.062 9.385 8.623 1.00 61.22 C ATOM 2756 CG GLU C 263 2.522 9.798 9.981 1.00 41.23 C ATOM 2757 CD GLU C 263 1.706 11.065 9.969 1.00 44.50 C ATOM 2758 OE1 GLU C 263 2.292 12.170 10.015 1.00 14.33 O ATOM 2759 OE2 GLU C 263 0.472 10.978 9.944 1.00 60.52 O ATOM 0 H GLU C 263 3.274 7.503 7.142 1.00 53.12 H new ATOM 0 HA GLU C 263 1.039 8.948 8.042 1.00 63.13 H new ATOM 0 HB2 GLU C 263 3.674 8.492 8.749 1.00 61.22 H new ATOM 0 HB3 GLU C 263 3.719 10.173 8.256 1.00 61.22 H new ATOM 0 HG2 GLU C 263 1.908 8.989 10.375 1.00 41.23 H new ATOM 0 HG3 GLU C 263 3.359 9.926 10.667 1.00 41.23 H new ATOM 2766 N LYS C 264 2.712 10.431 5.584 1.00 24.21 N ATOM 2767 CA LYS C 264 2.621 11.554 4.644 1.00 12.25 C ATOM 2768 C LYS C 264 1.535 11.332 3.593 1.00 11.41 C ATOM 2769 O LYS C 264 1.054 12.265 2.951 1.00 54.00 O ATOM 2770 CB LYS C 264 3.945 11.843 3.976 1.00 20.44 C ATOM 2771 CG LYS C 264 4.453 10.787 3.049 1.00 53.35 C ATOM 2772 CD LYS C 264 5.730 11.258 2.457 1.00 61.14 C ATOM 2773 CE LYS C 264 6.300 10.284 1.454 1.00 41.34 C ATOM 2774 NZ LYS C 264 5.405 10.076 0.284 1.00 42.44 N ATOM 0 H LYS C 264 3.467 9.772 5.394 1.00 24.21 H new ATOM 0 HA LYS C 264 2.345 12.426 5.237 1.00 12.25 H new ATOM 0 HB2 LYS C 264 3.853 12.775 3.418 1.00 20.44 H new ATOM 0 HB3 LYS C 264 4.693 12.009 4.752 1.00 20.44 H new ATOM 0 HG2 LYS C 264 4.607 9.852 3.587 1.00 53.35 H new ATOM 0 HG3 LYS C 264 3.723 10.587 2.265 1.00 53.35 H new ATOM 0 HD2 LYS C 264 5.568 12.220 1.971 1.00 61.14 H new ATOM 0 HD3 LYS C 264 6.457 11.421 3.253 1.00 61.14 H new ATOM 0 HE2 LYS C 264 7.266 10.650 1.107 1.00 41.34 H new ATOM 0 HE3 LYS C 264 6.479 9.327 1.944 1.00 41.34 H new ATOM 0 HZ1 LYS C 264 5.921 9.567 -0.462 1.00 42.44 H new ATOM 0 HZ2 LYS C 264 4.577 9.518 0.575 1.00 42.44 H new ATOM 0 HZ3 LYS C 264 5.090 10.998 -0.080 1.00 42.44 H new ATOM 2788 N CYS C 265 1.165 10.105 3.426 1.00 72.10 N ATOM 2789 CA CYS C 265 0.125 9.736 2.488 1.00 61.04 C ATOM 2790 C CYS C 265 -1.245 9.905 3.157 1.00 65.51 C ATOM 2791 O CYS C 265 -2.230 10.248 2.503 1.00 72.52 O ATOM 2792 CB CYS C 265 0.354 8.278 2.009 1.00 65.23 C ATOM 2793 SG CYS C 265 -0.907 7.602 0.876 1.00 74.33 S ATOM 0 H CYS C 265 1.570 9.318 3.933 1.00 72.10 H new ATOM 0 HA CYS C 265 0.156 10.385 1.613 1.00 61.04 H new ATOM 0 HB2 CYS C 265 1.324 8.227 1.514 1.00 65.23 H new ATOM 0 HB3 CYS C 265 0.410 7.633 2.886 1.00 65.23 H new ATOM 2798 N LEU C 266 -1.251 9.731 4.481 1.00 11.14 N ATOM 2799 CA LEU C 266 -2.429 9.756 5.320 1.00 14.14 C ATOM 2800 C LEU C 266 -3.212 11.082 5.209 1.00 44.11 C ATOM 2801 O LEU C 266 -4.294 11.113 4.640 1.00 63.40 O ATOM 2802 CB LEU C 266 -1.991 9.477 6.794 1.00 11.44 C ATOM 2803 CG LEU C 266 -3.063 9.082 7.843 1.00 21.15 C ATOM 2804 CD1 LEU C 266 -4.085 10.164 8.088 1.00 61.54 C ATOM 2805 CD2 LEU C 266 -3.739 7.820 7.417 1.00 14.25 C ATOM 0 H LEU C 266 -0.395 9.563 5.009 1.00 11.14 H new ATOM 0 HA LEU C 266 -3.116 8.981 4.980 1.00 14.14 H new ATOM 0 HB2 LEU C 266 -1.248 8.680 6.769 1.00 11.44 H new ATOM 0 HB3 LEU C 266 -1.488 10.371 7.161 1.00 11.44 H new ATOM 0 HG LEU C 266 -2.543 8.931 8.789 1.00 21.15 H new ATOM 0 HD11 LEU C 266 -4.805 9.823 8.832 1.00 61.54 H new ATOM 0 HD12 LEU C 266 -3.585 11.061 8.452 1.00 61.54 H new ATOM 0 HD13 LEU C 266 -4.605 10.391 7.157 1.00 61.54 H new ATOM 0 HD21 LEU C 266 -4.492 7.544 8.155 1.00 14.25 H new ATOM 0 HD22 LEU C 266 -4.218 7.972 6.450 1.00 14.25 H new ATOM 0 HD23 LEU C 266 -3.001 7.022 7.335 1.00 14.25 H new ATOM 2817 N ASN C 267 -2.682 12.168 5.745 1.00 34.43 N ATOM 2818 CA ASN C 267 -3.478 13.393 5.789 1.00 35.11 C ATOM 2819 C ASN C 267 -2.650 14.624 5.510 1.00 55.02 C ATOM 2820 O ASN C 267 -2.807 15.276 4.471 1.00 12.53 O ATOM 2821 CB ASN C 267 -4.142 13.513 7.174 1.00 25.21 C ATOM 2822 CG ASN C 267 -5.176 14.604 7.260 1.00 60.44 C ATOM 2823 OD1 ASN C 267 -4.875 15.760 7.562 1.00 0.33 O ATOM 2824 ND2 ASN C 267 -6.405 14.233 7.039 1.00 35.00 N ATOM 0 H ASN C 267 -1.745 12.234 6.142 1.00 34.43 H new ATOM 0 HA ASN C 267 -4.235 13.330 5.007 1.00 35.11 H new ATOM 0 HB2 ASN C 267 -4.610 12.561 7.426 1.00 25.21 H new ATOM 0 HB3 ASN C 267 -3.370 13.697 7.922 1.00 25.21 H new ATOM 0 HD21 ASN C 267 -7.164 14.911 7.114 1.00 35.00 H new ATOM 0 HD22 ASN C 267 -6.609 13.265 6.791 1.00 35.00 H new ATOM 3120 N GLY D 319 14.374 -11.615 2.859 1.00 1.22 N ATOM 3121 CA GLY D 319 15.155 -11.311 4.020 1.00 41.43 C ATOM 3122 C GLY D 319 16.501 -10.830 3.591 1.00 52.23 C ATOM 3123 O GLY D 319 17.531 -11.436 3.908 1.00 31.34 O ATOM 0 HA2 GLY D 319 14.657 -10.549 4.619 1.00 41.43 H new ATOM 0 HA3 GLY D 319 15.255 -12.196 4.648 1.00 41.43 H new ATOM 3127 N ASP D 320 16.493 -9.757 2.862 1.00 33.30 N ATOM 3128 CA ASP D 320 17.676 -9.197 2.266 1.00 2.43 C ATOM 3129 C ASP D 320 17.659 -7.716 2.572 1.00 35.50 C ATOM 3130 O ASP D 320 16.682 -7.248 3.164 1.00 65.15 O ATOM 3131 CB ASP D 320 17.598 -9.454 0.780 1.00 23.12 C ATOM 3132 CG ASP D 320 18.888 -9.196 0.016 1.00 13.24 C ATOM 3133 OD1 ASP D 320 19.104 -8.079 -0.458 1.00 23.44 O ATOM 3134 OD2 ASP D 320 19.697 -10.137 -0.135 1.00 22.30 O ATOM 0 H ASP D 320 15.644 -9.230 2.657 1.00 33.30 H new ATOM 0 HA ASP D 320 18.598 -9.634 2.649 1.00 2.43 H new ATOM 0 HB2 ASP D 320 17.300 -10.490 0.621 1.00 23.12 H new ATOM 0 HB3 ASP D 320 16.812 -8.827 0.359 1.00 23.12 H new ATOM 3163 N ASP D 322 19.431 -6.255 4.846 1.00 43.24 N ATOM 3164 CA ASP D 322 19.386 -6.334 6.341 1.00 4.51 C ATOM 3165 C ASP D 322 18.133 -6.982 6.814 1.00 4.40 C ATOM 3166 O ASP D 322 18.167 -8.062 7.397 1.00 64.20 O ATOM 3167 CB ASP D 322 19.509 -4.994 6.951 1.00 1.21 C ATOM 3168 CG ASP D 322 19.433 -5.012 8.460 1.00 2.41 C ATOM 3169 OD1 ASP D 322 20.458 -5.231 9.118 1.00 12.22 O ATOM 3170 OD2 ASP D 322 18.336 -4.778 8.996 1.00 74.22 O ATOM 0 HA ASP D 322 20.234 -6.944 6.652 1.00 4.51 H new ATOM 0 HB2 ASP D 322 20.457 -4.551 6.648 1.00 1.21 H new ATOM 0 HB3 ASP D 322 18.718 -4.352 6.562 1.00 1.21 H new ATOM 3175 N SER D 323 17.031 -6.282 6.607 1.00 61.51 N ATOM 3176 CA SER D 323 15.740 -6.822 6.791 1.00 71.13 C ATOM 3177 C SER D 323 15.313 -6.996 8.289 1.00 61.05 C ATOM 3178 O SER D 323 14.322 -7.658 8.579 1.00 61.15 O ATOM 3179 CB SER D 323 15.689 -8.102 5.917 1.00 64.11 C ATOM 3180 OG SER D 323 14.479 -8.828 6.010 1.00 74.15 O ATOM 0 H SER D 323 17.033 -5.309 6.302 1.00 61.51 H new ATOM 0 HA SER D 323 14.971 -6.123 6.461 1.00 71.13 H new ATOM 0 HB2 SER D 323 15.851 -7.823 4.876 1.00 64.11 H new ATOM 0 HB3 SER D 323 16.513 -8.755 6.204 1.00 64.11 H new ATOM 0 HG SER D 323 13.760 -8.230 6.302 1.00 74.15 H new ATOM 3186 N MET D 324 16.014 -6.330 9.226 1.00 0.34 N ATOM 3187 CA MET D 324 15.641 -6.417 10.652 1.00 54.42 C ATOM 3188 C MET D 324 15.550 -5.037 11.333 1.00 0.33 C ATOM 3189 O MET D 324 16.571 -4.435 11.665 1.00 64.31 O ATOM 3190 CB MET D 324 16.609 -7.331 11.433 1.00 74.51 C ATOM 3191 CG MET D 324 16.575 -8.791 11.011 1.00 34.54 C ATOM 3192 SD MET D 324 14.951 -9.546 11.268 1.00 65.34 S ATOM 3193 CE MET D 324 15.240 -11.203 10.650 1.00 51.44 C ATOM 0 H MET D 324 16.822 -5.739 9.030 1.00 0.34 H new ATOM 0 HA MET D 324 14.644 -6.857 10.674 1.00 54.42 H new ATOM 0 HB2 MET D 324 17.624 -6.954 11.310 1.00 74.51 H new ATOM 0 HB3 MET D 324 16.372 -7.267 12.495 1.00 74.51 H new ATOM 0 HG2 MET D 324 16.846 -8.868 9.958 1.00 34.54 H new ATOM 0 HG3 MET D 324 17.324 -9.347 11.575 1.00 34.54 H new ATOM 0 HE1 MET D 324 14.326 -11.790 10.743 1.00 51.44 H new ATOM 0 HE2 MET D 324 15.535 -11.154 9.602 1.00 51.44 H new ATOM 0 HE3 MET D 324 16.034 -11.674 11.229 1.00 51.44 H new ATOM 3203 N LYS D 325 14.322 -4.534 11.516 1.00 44.32 N ATOM 3204 CA LYS D 325 14.055 -3.264 12.211 1.00 32.23 C ATOM 3205 C LYS D 325 12.714 -3.296 12.939 1.00 44.44 C ATOM 3206 O LYS D 325 11.919 -4.215 12.750 1.00 4.15 O ATOM 3207 CB LYS D 325 14.044 -2.070 11.243 1.00 2.13 C ATOM 3208 CG LYS D 325 15.380 -1.565 10.773 1.00 31.44 C ATOM 3209 CD LYS D 325 16.177 -1.006 11.927 1.00 22.25 C ATOM 3210 CE LYS D 325 17.388 -0.296 11.422 1.00 4.41 C ATOM 3211 NZ LYS D 325 18.226 0.237 12.510 1.00 50.43 N ATOM 0 H LYS D 325 13.478 -5.000 11.184 1.00 44.32 H new ATOM 0 HA LYS D 325 14.865 -3.141 12.930 1.00 32.23 H new ATOM 0 HB2 LYS D 325 13.459 -2.349 10.367 1.00 2.13 H new ATOM 0 HB3 LYS D 325 13.520 -1.245 11.727 1.00 2.13 H new ATOM 0 HG2 LYS D 325 15.935 -2.376 10.301 1.00 31.44 H new ATOM 0 HG3 LYS D 325 15.237 -0.794 10.016 1.00 31.44 H new ATOM 0 HD2 LYS D 325 15.559 -0.320 12.506 1.00 22.25 H new ATOM 0 HD3 LYS D 325 16.473 -1.812 12.598 1.00 22.25 H new ATOM 0 HE2 LYS D 325 17.980 -0.981 10.815 1.00 4.41 H new ATOM 0 HE3 LYS D 325 17.080 0.522 10.771 1.00 4.41 H new ATOM 0 HZ1 LYS D 325 19.053 0.720 12.106 1.00 50.43 H new ATOM 0 HZ2 LYS D 325 17.673 0.912 13.076 1.00 50.43 H new ATOM 0 HZ3 LYS D 325 18.544 -0.545 13.118 1.00 50.43 H new ATOM 3225 N GLU D 326 12.499 -2.296 13.784 1.00 22.20 N ATOM 3226 CA GLU D 326 11.246 -2.050 14.496 1.00 12.20 C ATOM 3227 C GLU D 326 10.727 -0.700 14.007 1.00 74.22 C ATOM 3228 O GLU D 326 11.544 0.102 13.529 1.00 3.24 O ATOM 3229 CB GLU D 326 11.503 -1.983 16.013 1.00 34.32 C ATOM 3230 CG GLU D 326 11.968 -3.287 16.646 1.00 20.31 C ATOM 3231 CD GLU D 326 10.934 -4.384 16.525 1.00 15.34 C ATOM 3232 OE1 GLU D 326 9.913 -4.330 17.221 1.00 22.24 O ATOM 3233 OE2 GLU D 326 11.114 -5.301 15.715 1.00 31.33 O ATOM 0 H GLU D 326 13.218 -1.606 14.002 1.00 22.20 H new ATOM 0 HA GLU D 326 10.527 -2.848 14.309 1.00 12.20 H new ATOM 0 HB2 GLU D 326 12.253 -1.216 16.205 1.00 34.32 H new ATOM 0 HB3 GLU D 326 10.586 -1.663 16.508 1.00 34.32 H new ATOM 0 HG2 GLU D 326 12.894 -3.609 16.170 1.00 20.31 H new ATOM 0 HG3 GLU D 326 12.193 -3.117 17.699 1.00 20.31 H new ATOM 3240 N PRO D 327 9.387 -0.409 14.094 1.00 22.13 N ATOM 3241 CA PRO D 327 8.815 0.849 13.619 1.00 62.22 C ATOM 3242 C PRO D 327 9.438 2.062 14.258 1.00 71.45 C ATOM 3243 O PRO D 327 9.112 2.446 15.396 1.00 42.40 O ATOM 3244 CB PRO D 327 7.335 0.743 13.980 1.00 31.32 C ATOM 3245 CG PRO D 327 7.320 -0.253 15.055 1.00 0.10 C ATOM 3246 CD PRO D 327 8.333 -1.259 14.638 1.00 52.14 C ATOM 0 HA PRO D 327 8.993 0.984 12.552 1.00 62.22 H new ATOM 0 HB2 PRO D 327 6.933 1.700 14.313 1.00 31.32 H new ATOM 0 HB3 PRO D 327 6.735 0.424 13.128 1.00 31.32 H new ATOM 0 HG2 PRO D 327 7.576 0.194 16.015 1.00 0.10 H new ATOM 0 HG3 PRO D 327 6.334 -0.704 15.166 1.00 0.10 H new ATOM 0 HD2 PRO D 327 8.684 -1.859 15.478 1.00 52.14 H new ATOM 0 HD3 PRO D 327 7.940 -1.951 13.893 1.00 52.14 H new