USER MOD reduce.3.24.130724 H: found=0, std=0, add=1059, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 1067 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: C 216 SER OG : rot -80:sc= 0.352 USER MOD Set 1.2: C 217 HIS :FLIP no HD1:sc= 0.318 F(o=-0.36,f=0.67) USER MOD Set 2.1: A 61 TYR OH : rot 180:sc= -0.011 USER MOD Set 2.2: A 64 LYS NZ :NH3+ -114:sc= 0.938 (180deg=-0.264) USER MOD Set 2.3: C 230 ASN : amide:sc= -1.42! K(o=-0.5!,f=-3) USER MOD Single : A 16 SER OG : rot 95:sc= 0.946 USER MOD Single : A 17 HIS : no HD1:sc= -0.182 X(o=-0.18,f=-0.014) USER MOD Single : A 22 ASN : amide:sc= -0.271 X(o=-0.27,f=-0.45) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 HIS :FLIP no HD1:sc= -0.0581 F(o=-0.6,f=-0.058) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN :FLIP amide:sc= -0.495 F(o=-1.7!,f=-0.49) USER MOD Single : A 31 THR OG1 : rot 52:sc= -1.68! USER MOD Single : A 33 ASN : amide:sc= -0.27 X(o=-0.27,f=-0.76) USER MOD Single : A 37 GLN : amide:sc= -2.32 X(o=-2.3,f=-2.3!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN :FLIP amide:sc= 0.546 F(o=-4.8!,f=0.55) USER MOD Single : A 54 LYS NZ :NH3+ 156:sc= -1.27! (180deg=-2.73!) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN :FLIP amide:sc= -0.257 F(o=-0.85,f=-0.26) USER MOD Single : A 67 ASN : amide:sc= -0.0359 K(o=-0.036,f=-1.1) USER MOD Single : B 123 SER OG : rot 52:sc= 1.02 USER MOD Single : B 124 MET CE :methyl 157:sc= -0.18 (180deg=-0.772) USER MOD Single : B 125 LYS NZ :NH3+ 163:sc= 0.992 (180deg=0.731) USER MOD Single : C 222 ASN : amide:sc= -0.109 K(o=-0.11,f=-0.66) USER MOD Single : C 224 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 225 HIS :FLIP no HD1:sc= -0.525 F(o=-1.2,f=-0.52) USER MOD Single : C 227 LYS NZ :NH3+ -172:sc= -0.0805 (180deg=-0.294) USER MOD Single : C 231 THR OG1 : rot 122:sc= 0.95 USER MOD Single : C 233 ASN : amide:sc= 0.059 X(o=0.059,f=-0.33) USER MOD Single : C 237 GLN : amide:sc= -2.83! C(o=-2.8!,f=-4.6!) USER MOD Single : C 243 LYS NZ :NH3+ -128:sc= 0.376 (180deg=0) USER MOD Single : C 248 GLN :FLIP amide:sc= -0.131 F(o=-3.3!,f=-0.13) USER MOD Single : C 254 LYS NZ :NH3+ 169:sc= 1.25 (180deg=1.04) USER MOD Single : C 256 LYS NZ :NH3+ -145:sc= -0.471 (180deg=-2!) USER MOD Single : C 259 GLN : amide:sc= -1.88! X(o=-1.9!,f=-1.7) USER MOD Single : C 261 TYR OH : rot 180:sc= -0.0059 USER MOD Single : C 264 LYS NZ :NH3+ 165:sc= -0.0133 (180deg=-0.207) USER MOD Single : C 267 ASN : amide:sc= -0.0821 X(o=-0.082,f=0) USER MOD Single : D 323 SER OG : rot 33:sc= 1.17 USER MOD Single : D 324 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : D 325 LYS NZ :NH3+ -177:sc= 1.23 (180deg=1.1) USER MOD ----------------------------------------------------------------- ATOM 115 N ARG A 8 3.528 9.157 -15.212 1.00 11.05 N ATOM 116 CA ARG A 8 2.100 8.950 -15.279 1.00 14.11 C ATOM 117 C ARG A 8 1.557 8.553 -13.931 1.00 75.12 C ATOM 118 O ARG A 8 2.302 8.093 -13.056 1.00 75.51 O ATOM 119 CB ARG A 8 1.827 7.785 -16.228 1.00 71.02 C ATOM 120 CG ARG A 8 2.260 7.996 -17.661 1.00 71.22 C ATOM 121 CD ARG A 8 2.222 6.687 -18.424 1.00 73.24 C ATOM 122 NE ARG A 8 0.899 6.053 -18.419 1.00 2.44 N ATOM 123 CZ ARG A 8 0.705 4.725 -18.431 1.00 74.23 C ATOM 124 NH1 ARG A 8 1.739 3.894 -18.233 1.00 4.44 N ATOM 125 NH2 ARG A 8 -0.525 4.233 -18.572 1.00 15.45 N ATOM 0 HA ARG A 8 1.630 9.874 -15.614 1.00 14.11 H new ATOM 0 HB2 ARG A 8 2.331 6.899 -15.842 1.00 71.02 H new ATOM 0 HB3 ARG A 8 0.758 7.574 -16.217 1.00 71.02 H new ATOM 0 HG2 ARG A 8 1.606 8.723 -18.142 1.00 71.22 H new ATOM 0 HG3 ARG A 8 3.268 8.409 -17.686 1.00 71.22 H new ATOM 0 HD2 ARG A 8 2.528 6.866 -19.455 1.00 73.24 H new ATOM 0 HD3 ARG A 8 2.949 6.000 -17.990 1.00 73.24 H new ATOM 0 HE ARG A 8 0.078 6.658 -18.406 1.00 2.44 H new ATOM 0 HH11 ARG A 8 2.673 4.271 -18.073 1.00 4.44 H new ATOM 0 HH12 ARG A 8 1.591 2.885 -18.242 1.00 4.44 H new ATOM 0 HH21 ARG A 8 -1.319 4.866 -18.671 1.00 15.45 H new ATOM 0 HH22 ARG A 8 -0.673 3.224 -18.581 1.00 15.45 H new ATOM 139 N CYS A 9 0.282 8.743 -13.765 1.00 51.22 N ATOM 140 CA CYS A 9 -0.416 8.217 -12.633 1.00 70.23 C ATOM 141 C CYS A 9 -1.166 6.993 -13.131 1.00 35.32 C ATOM 142 O CYS A 9 -1.769 7.053 -14.211 1.00 33.23 O ATOM 143 CB CYS A 9 -1.432 9.232 -12.087 1.00 10.11 C ATOM 144 SG CYS A 9 -0.739 10.841 -11.595 1.00 71.52 S ATOM 0 H CYS A 9 -0.304 9.269 -14.413 1.00 51.22 H new ATOM 0 HA CYS A 9 0.284 7.983 -11.831 1.00 70.23 H new ATOM 0 HB2 CYS A 9 -2.195 9.401 -12.846 1.00 10.11 H new ATOM 0 HB3 CYS A 9 -1.932 8.792 -11.224 1.00 10.11 H new ATOM 149 N PRO A 10 -1.095 5.856 -12.410 1.00 32.11 N ATOM 150 CA PRO A 10 -1.839 4.655 -12.758 1.00 11.33 C ATOM 151 C PRO A 10 -3.319 4.943 -13.014 1.00 22.13 C ATOM 152 O PRO A 10 -3.798 4.818 -14.137 1.00 75.22 O ATOM 153 CB PRO A 10 -1.676 3.778 -11.519 1.00 42.33 C ATOM 154 CG PRO A 10 -0.366 4.176 -10.965 1.00 3.20 C ATOM 155 CD PRO A 10 -0.224 5.637 -11.251 1.00 73.32 C ATOM 0 HA PRO A 10 -1.475 4.198 -13.678 1.00 11.33 H new ATOM 0 HB2 PRO A 10 -2.480 3.947 -10.802 1.00 42.33 H new ATOM 0 HB3 PRO A 10 -1.695 2.719 -11.775 1.00 42.33 H new ATOM 0 HG2 PRO A 10 -0.320 3.982 -9.893 1.00 3.20 H new ATOM 0 HG3 PRO A 10 0.442 3.608 -11.426 1.00 3.20 H new ATOM 0 HD2 PRO A 10 -0.533 6.243 -10.399 1.00 73.32 H new ATOM 0 HD3 PRO A 10 0.810 5.902 -11.472 1.00 73.32 H new ATOM 163 N CYS A 11 -4.032 5.318 -11.984 1.00 34.04 N ATOM 164 CA CYS A 11 -5.421 5.636 -12.134 1.00 74.12 C ATOM 165 C CYS A 11 -5.589 7.155 -12.189 1.00 13.04 C ATOM 166 O CYS A 11 -4.656 7.894 -11.866 1.00 41.30 O ATOM 167 CB CYS A 11 -6.240 5.023 -11.011 1.00 14.13 C ATOM 168 SG CYS A 11 -8.036 5.058 -11.289 1.00 71.12 S ATOM 0 H CYS A 11 -3.671 5.409 -11.034 1.00 34.04 H new ATOM 0 HA CYS A 11 -5.791 5.211 -13.067 1.00 74.12 H new ATOM 0 HB2 CYS A 11 -5.926 3.989 -10.871 1.00 14.13 H new ATOM 0 HB3 CYS A 11 -6.017 5.552 -10.084 1.00 14.13 H new ATOM 173 N ARG A 12 -6.755 7.609 -12.593 1.00 3.30 N ATOM 174 CA ARG A 12 -7.026 9.034 -12.695 1.00 61.12 C ATOM 175 C ARG A 12 -8.077 9.438 -11.632 1.00 30.44 C ATOM 176 O ARG A 12 -8.069 10.559 -11.115 1.00 4.01 O ATOM 177 CB ARG A 12 -7.486 9.337 -14.156 1.00 32.23 C ATOM 178 CG ARG A 12 -7.656 10.817 -14.574 1.00 13.55 C ATOM 179 CD ARG A 12 -8.839 11.501 -13.917 1.00 74.14 C ATOM 180 NE ARG A 12 -9.017 12.864 -14.401 1.00 32.10 N ATOM 181 CZ ARG A 12 -9.947 13.714 -13.973 1.00 73.33 C ATOM 182 NH1 ARG A 12 -10.775 13.361 -12.995 1.00 74.32 N ATOM 183 NH2 ARG A 12 -10.039 14.917 -14.518 1.00 3.33 N ATOM 0 H ARG A 12 -7.538 7.011 -12.859 1.00 3.30 H new ATOM 0 HA ARG A 12 -6.135 9.628 -12.492 1.00 61.12 H new ATOM 0 HB2 ARG A 12 -6.766 8.880 -14.834 1.00 32.23 H new ATOM 0 HB3 ARG A 12 -8.439 8.833 -14.317 1.00 32.23 H new ATOM 0 HG2 ARG A 12 -6.746 11.363 -14.324 1.00 13.55 H new ATOM 0 HG3 ARG A 12 -7.772 10.869 -15.657 1.00 13.55 H new ATOM 0 HD2 ARG A 12 -9.744 10.926 -14.111 1.00 74.14 H new ATOM 0 HD3 ARG A 12 -8.696 11.515 -12.837 1.00 74.14 H new ATOM 0 HE ARG A 12 -8.378 13.192 -15.125 1.00 32.10 H new ATOM 0 HH11 ARG A 12 -10.698 12.437 -12.571 1.00 74.32 H new ATOM 0 HH12 ARG A 12 -11.487 14.015 -12.669 1.00 74.32 H new ATOM 0 HH21 ARG A 12 -9.398 15.190 -15.263 1.00 3.33 H new ATOM 0 HH22 ARG A 12 -10.751 15.571 -14.193 1.00 3.33 H new ATOM 197 N PHE A 13 -8.953 8.510 -11.297 1.00 21.25 N ATOM 198 CA PHE A 13 -10.032 8.758 -10.339 1.00 51.41 C ATOM 199 C PHE A 13 -9.761 8.029 -9.041 1.00 4.32 C ATOM 200 O PHE A 13 -8.940 7.125 -9.001 1.00 12.40 O ATOM 201 CB PHE A 13 -11.384 8.318 -10.913 1.00 3.50 C ATOM 202 CG PHE A 13 -11.820 9.090 -12.128 1.00 65.13 C ATOM 203 CD1 PHE A 13 -11.417 8.708 -13.397 1.00 70.10 C ATOM 204 CD2 PHE A 13 -12.639 10.200 -11.996 1.00 75.25 C ATOM 205 CE1 PHE A 13 -11.819 9.418 -14.507 1.00 32.34 C ATOM 206 CE2 PHE A 13 -13.042 10.913 -13.104 1.00 64.10 C ATOM 207 CZ PHE A 13 -12.633 10.523 -14.362 1.00 71.50 C ATOM 0 H PHE A 13 -8.943 7.563 -11.676 1.00 21.25 H new ATOM 0 HA PHE A 13 -10.071 9.830 -10.144 1.00 51.41 H new ATOM 0 HB2 PHE A 13 -11.330 7.260 -11.169 1.00 3.50 H new ATOM 0 HB3 PHE A 13 -12.145 8.420 -10.139 1.00 3.50 H new ATOM 0 HD1 PHE A 13 -10.781 7.844 -13.518 1.00 70.10 H new ATOM 0 HD2 PHE A 13 -12.965 10.510 -11.014 1.00 75.25 H new ATOM 0 HE1 PHE A 13 -11.497 9.110 -15.491 1.00 32.34 H new ATOM 0 HE2 PHE A 13 -13.678 11.778 -12.987 1.00 64.10 H new ATOM 0 HZ PHE A 13 -12.949 11.081 -15.231 1.00 71.50 H new ATOM 217 N PHE A 14 -10.410 8.442 -7.984 1.00 71.14 N ATOM 218 CA PHE A 14 -10.262 7.805 -6.686 1.00 42.25 C ATOM 219 C PHE A 14 -11.617 7.582 -6.014 1.00 72.11 C ATOM 220 O PHE A 14 -12.492 8.415 -6.115 1.00 34.23 O ATOM 221 CB PHE A 14 -9.315 8.613 -5.784 1.00 43.25 C ATOM 222 CG PHE A 14 -9.629 10.088 -5.683 1.00 64.13 C ATOM 223 CD1 PHE A 14 -10.610 10.555 -4.825 1.00 61.52 C ATOM 224 CD2 PHE A 14 -8.929 11.005 -6.452 1.00 52.15 C ATOM 225 CE1 PHE A 14 -10.891 11.897 -4.740 1.00 73.54 C ATOM 226 CE2 PHE A 14 -9.204 12.349 -6.368 1.00 42.40 C ATOM 227 CZ PHE A 14 -10.186 12.797 -5.511 1.00 62.22 C ATOM 0 H PHE A 14 -11.058 9.229 -7.991 1.00 71.14 H new ATOM 0 HA PHE A 14 -9.816 6.824 -6.846 1.00 42.25 H new ATOM 0 HB2 PHE A 14 -9.337 8.183 -4.783 1.00 43.25 H new ATOM 0 HB3 PHE A 14 -8.297 8.499 -6.157 1.00 43.25 H new ATOM 0 HD1 PHE A 14 -11.161 9.855 -4.215 1.00 61.52 H new ATOM 0 HD2 PHE A 14 -8.158 10.659 -7.125 1.00 52.15 H new ATOM 0 HE1 PHE A 14 -11.663 12.247 -4.070 1.00 73.54 H new ATOM 0 HE2 PHE A 14 -8.651 13.053 -6.973 1.00 42.40 H new ATOM 0 HZ PHE A 14 -10.403 13.853 -5.443 1.00 62.22 H new ATOM 237 N GLU A 15 -11.782 6.447 -5.371 1.00 44.15 N ATOM 238 CA GLU A 15 -13.007 6.108 -4.675 1.00 10.13 C ATOM 239 C GLU A 15 -12.870 6.393 -3.188 1.00 0.53 C ATOM 240 O GLU A 15 -11.991 5.844 -2.524 1.00 72.20 O ATOM 241 CB GLU A 15 -13.381 4.633 -4.908 1.00 44.03 C ATOM 242 CG GLU A 15 -14.671 4.234 -4.254 1.00 43.33 C ATOM 243 CD GLU A 15 -15.761 5.213 -4.573 1.00 21.43 C ATOM 244 OE1 GLU A 15 -16.309 5.186 -5.685 1.00 61.11 O ATOM 245 OE2 GLU A 15 -16.066 6.051 -3.701 1.00 11.25 O ATOM 0 H GLU A 15 -11.063 5.725 -5.315 1.00 44.15 H new ATOM 0 HA GLU A 15 -13.808 6.729 -5.076 1.00 10.13 H new ATOM 0 HB2 GLU A 15 -13.454 4.450 -5.980 1.00 44.03 H new ATOM 0 HB3 GLU A 15 -12.579 3.999 -4.530 1.00 44.03 H new ATOM 0 HG2 GLU A 15 -14.961 3.239 -4.591 1.00 43.33 H new ATOM 0 HG3 GLU A 15 -14.533 4.177 -3.174 1.00 43.33 H new ATOM 252 N SER A 16 -13.760 7.221 -2.669 1.00 52.42 N ATOM 253 CA SER A 16 -13.686 7.641 -1.298 1.00 31.12 C ATOM 254 C SER A 16 -14.704 6.872 -0.423 1.00 24.52 C ATOM 255 O SER A 16 -14.770 7.075 0.775 1.00 61.43 O ATOM 256 CB SER A 16 -13.892 9.162 -1.195 1.00 33.51 C ATOM 257 OG SER A 16 -13.547 9.666 0.092 1.00 1.41 O ATOM 0 H SER A 16 -14.545 7.613 -3.189 1.00 52.42 H new ATOM 0 HA SER A 16 -12.692 7.406 -0.918 1.00 31.12 H new ATOM 0 HB2 SER A 16 -13.288 9.661 -1.953 1.00 33.51 H new ATOM 0 HB3 SER A 16 -14.934 9.401 -1.410 1.00 33.51 H new ATOM 0 HG SER A 16 -12.624 9.994 0.078 1.00 1.41 H new ATOM 263 N HIS A 17 -15.517 6.013 -1.026 1.00 31.31 N ATOM 264 CA HIS A 17 -16.419 5.150 -0.251 1.00 62.11 C ATOM 265 C HIS A 17 -16.476 3.745 -0.781 1.00 14.11 C ATOM 266 O HIS A 17 -17.505 3.290 -1.283 1.00 2.33 O ATOM 267 CB HIS A 17 -17.845 5.713 -0.027 1.00 70.12 C ATOM 268 CG HIS A 17 -17.963 6.786 1.020 1.00 32.25 C ATOM 269 ND1 HIS A 17 -18.534 6.563 2.247 1.00 22.43 N ATOM 270 CD2 HIS A 17 -17.612 8.092 1.012 1.00 41.43 C ATOM 271 CE1 HIS A 17 -18.532 7.673 2.943 1.00 52.53 C ATOM 272 NE2 HIS A 17 -17.977 8.618 2.221 1.00 52.14 N ATOM 0 H HIS A 17 -15.575 5.891 -2.037 1.00 31.31 H new ATOM 0 HA HIS A 17 -15.957 5.129 0.736 1.00 62.11 H new ATOM 0 HB2 HIS A 17 -18.212 6.112 -0.973 1.00 70.12 H new ATOM 0 HB3 HIS A 17 -18.503 4.888 0.248 1.00 70.12 H new ATOM 0 HD2 HIS A 17 -17.133 8.621 0.202 1.00 41.43 H new ATOM 0 HE1 HIS A 17 -18.922 7.791 3.943 1.00 52.53 H new ATOM 0 HE2 HIS A 17 -17.840 9.586 2.513 1.00 52.14 H new ATOM 281 N VAL A 18 -15.366 3.066 -0.716 1.00 11.43 N ATOM 282 CA VAL A 18 -15.333 1.686 -1.097 1.00 64.34 C ATOM 283 C VAL A 18 -15.419 0.871 0.194 1.00 44.23 C ATOM 284 O VAL A 18 -15.002 1.360 1.257 1.00 60.21 O ATOM 285 CB VAL A 18 -14.043 1.320 -1.893 1.00 23.25 C ATOM 286 CG1 VAL A 18 -12.815 1.374 -1.028 1.00 32.52 C ATOM 287 CG2 VAL A 18 -14.177 -0.016 -2.597 1.00 54.30 C ATOM 0 H VAL A 18 -14.473 3.447 -0.403 1.00 11.43 H new ATOM 0 HA VAL A 18 -16.166 1.468 -1.765 1.00 64.34 H new ATOM 0 HB VAL A 18 -13.920 2.079 -2.666 1.00 23.25 H new ATOM 0 HG11 VAL A 18 -11.940 1.112 -1.622 1.00 32.52 H new ATOM 0 HG12 VAL A 18 -12.695 2.381 -0.629 1.00 32.52 H new ATOM 0 HG13 VAL A 18 -12.919 0.668 -0.204 1.00 32.52 H new ATOM 0 HG21 VAL A 18 -13.258 -0.235 -3.140 1.00 54.30 H new ATOM 0 HG22 VAL A 18 -14.358 -0.799 -1.860 1.00 54.30 H new ATOM 0 HG23 VAL A 18 -15.011 0.024 -3.297 1.00 54.30 H new ATOM 297 N ALA A 19 -15.951 -0.322 0.131 1.00 12.22 N ATOM 298 CA ALA A 19 -16.120 -1.116 1.315 1.00 34.21 C ATOM 299 C ALA A 19 -14.833 -1.816 1.672 1.00 63.01 C ATOM 300 O ALA A 19 -14.305 -2.607 0.889 1.00 4.22 O ATOM 301 CB ALA A 19 -17.257 -2.108 1.150 1.00 24.02 C ATOM 0 H ALA A 19 -16.274 -0.763 -0.730 1.00 12.22 H new ATOM 0 HA ALA A 19 -16.382 -0.450 2.137 1.00 34.21 H new ATOM 0 HB1 ALA A 19 -17.362 -2.696 2.062 1.00 24.02 H new ATOM 0 HB2 ALA A 19 -18.185 -1.569 0.956 1.00 24.02 H new ATOM 0 HB3 ALA A 19 -17.042 -2.772 0.313 1.00 24.02 H new ATOM 307 N ARG A 20 -14.345 -1.524 2.852 1.00 72.31 N ATOM 308 CA ARG A 20 -13.114 -2.083 3.388 1.00 51.11 C ATOM 309 C ARG A 20 -13.217 -3.620 3.508 1.00 32.41 C ATOM 310 O ARG A 20 -12.222 -4.323 3.423 1.00 62.43 O ATOM 311 CB ARG A 20 -12.816 -1.352 4.739 1.00 25.52 C ATOM 312 CG ARG A 20 -11.583 -1.756 5.577 1.00 11.24 C ATOM 313 CD ARG A 20 -11.780 -3.083 6.249 1.00 40.41 C ATOM 314 NE ARG A 20 -13.078 -3.108 6.928 1.00 51.34 N ATOM 315 CZ ARG A 20 -13.763 -4.188 7.252 1.00 22.11 C ATOM 316 NH1 ARG A 20 -13.218 -5.405 7.148 1.00 64.31 N ATOM 317 NH2 ARG A 20 -14.991 -4.044 7.709 1.00 53.21 N ATOM 0 H ARG A 20 -14.802 -0.872 3.490 1.00 72.31 H new ATOM 0 HA ARG A 20 -12.270 -1.916 2.719 1.00 51.11 H new ATOM 0 HB2 ARG A 20 -12.725 -0.288 4.519 1.00 25.52 H new ATOM 0 HB3 ARG A 20 -13.694 -1.472 5.374 1.00 25.52 H new ATOM 0 HG2 ARG A 20 -10.704 -1.801 4.934 1.00 11.24 H new ATOM 0 HG3 ARG A 20 -11.388 -0.992 6.330 1.00 11.24 H new ATOM 0 HD2 ARG A 20 -11.729 -3.885 5.513 1.00 40.41 H new ATOM 0 HD3 ARG A 20 -10.980 -3.259 6.968 1.00 40.41 H new ATOM 0 HE ARG A 20 -13.490 -2.208 7.173 1.00 51.34 H new ATOM 0 HH11 ARG A 20 -12.260 -5.508 6.814 1.00 64.31 H new ATOM 0 HH12 ARG A 20 -13.761 -6.230 7.402 1.00 64.31 H new ATOM 0 HH21 ARG A 20 -15.393 -3.112 7.806 1.00 53.21 H new ATOM 0 HH22 ARG A 20 -15.539 -4.865 7.966 1.00 53.21 H new ATOM 331 N ALA A 21 -14.418 -4.122 3.697 1.00 1.35 N ATOM 332 CA ALA A 21 -14.642 -5.556 3.783 1.00 21.21 C ATOM 333 C ALA A 21 -14.751 -6.202 2.396 1.00 13.24 C ATOM 334 O ALA A 21 -14.655 -7.425 2.264 1.00 14.24 O ATOM 335 CB ALA A 21 -15.884 -5.853 4.606 1.00 11.01 C ATOM 0 H ALA A 21 -15.262 -3.557 3.795 1.00 1.35 H new ATOM 0 HA ALA A 21 -13.776 -5.992 4.280 1.00 21.21 H new ATOM 0 HB1 ALA A 21 -16.036 -6.931 4.659 1.00 11.01 H new ATOM 0 HB2 ALA A 21 -15.758 -5.454 5.612 1.00 11.01 H new ATOM 0 HB3 ALA A 21 -16.751 -5.387 4.137 1.00 11.01 H new ATOM 341 N ASN A 22 -14.942 -5.382 1.366 1.00 53.40 N ATOM 342 CA ASN A 22 -15.144 -5.899 0.002 1.00 21.43 C ATOM 343 C ASN A 22 -13.825 -5.896 -0.775 1.00 13.52 C ATOM 344 O ASN A 22 -13.711 -6.492 -1.851 1.00 24.34 O ATOM 345 CB ASN A 22 -16.206 -5.058 -0.741 1.00 61.14 C ATOM 346 CG ASN A 22 -16.596 -5.616 -2.115 1.00 43.13 C ATOM 347 OD1 ASN A 22 -16.566 -6.830 -2.353 1.00 23.53 O ATOM 348 ND2 ASN A 22 -16.979 -4.740 -3.017 1.00 45.42 N ATOM 0 H ASN A 22 -14.962 -4.365 1.441 1.00 53.40 H new ATOM 0 HA ASN A 22 -15.501 -6.927 0.073 1.00 21.43 H new ATOM 0 HB2 ASN A 22 -17.100 -4.991 -0.121 1.00 61.14 H new ATOM 0 HB3 ASN A 22 -15.828 -4.043 -0.867 1.00 61.14 H new ATOM 0 HD21 ASN A 22 -17.263 -5.054 -3.945 1.00 45.42 H new ATOM 0 HD22 ASN A 22 -16.992 -3.746 -2.789 1.00 45.42 H new ATOM 355 N VAL A 23 -12.833 -5.241 -0.225 1.00 63.35 N ATOM 356 CA VAL A 23 -11.530 -5.180 -0.850 1.00 64.35 C ATOM 357 C VAL A 23 -10.642 -6.261 -0.279 1.00 44.43 C ATOM 358 O VAL A 23 -10.866 -6.730 0.837 1.00 13.53 O ATOM 359 CB VAL A 23 -10.830 -3.804 -0.636 1.00 1.15 C ATOM 360 CG1 VAL A 23 -11.637 -2.670 -1.244 1.00 63.44 C ATOM 361 CG2 VAL A 23 -10.575 -3.545 0.840 1.00 64.33 C ATOM 0 H VAL A 23 -12.901 -4.739 0.660 1.00 63.35 H new ATOM 0 HA VAL A 23 -11.684 -5.321 -1.920 1.00 64.35 H new ATOM 0 HB VAL A 23 -9.869 -3.844 -1.149 1.00 1.15 H new ATOM 0 HG11 VAL A 23 -11.120 -1.725 -1.077 1.00 63.44 H new ATOM 0 HG12 VAL A 23 -11.750 -2.837 -2.315 1.00 63.44 H new ATOM 0 HG13 VAL A 23 -12.621 -2.633 -0.777 1.00 63.44 H new ATOM 0 HG21 VAL A 23 -10.086 -2.578 0.961 1.00 64.33 H new ATOM 0 HG22 VAL A 23 -11.523 -3.542 1.378 1.00 64.33 H new ATOM 0 HG23 VAL A 23 -9.933 -4.329 1.241 1.00 64.33 H new ATOM 371 N LYS A 24 -9.671 -6.688 -1.042 1.00 63.13 N ATOM 372 CA LYS A 24 -8.739 -7.662 -0.543 1.00 31.30 C ATOM 373 C LYS A 24 -7.422 -7.001 -0.153 1.00 5.14 C ATOM 374 O LYS A 24 -6.885 -7.243 0.921 1.00 65.15 O ATOM 375 CB LYS A 24 -8.501 -8.769 -1.561 1.00 15.03 C ATOM 376 CG LYS A 24 -9.766 -9.508 -1.907 1.00 12.55 C ATOM 377 CD LYS A 24 -9.537 -10.675 -2.847 1.00 75.22 C ATOM 378 CE LYS A 24 -9.028 -10.241 -4.208 1.00 11.34 C ATOM 379 NZ LYS A 24 -8.846 -11.397 -5.107 1.00 54.34 N ATOM 0 H LYS A 24 -9.506 -6.381 -2.001 1.00 63.13 H new ATOM 0 HA LYS A 24 -9.175 -8.113 0.348 1.00 31.30 H new ATOM 0 HB2 LYS A 24 -8.074 -8.340 -2.467 1.00 15.03 H new ATOM 0 HB3 LYS A 24 -7.769 -9.472 -1.165 1.00 15.03 H new ATOM 0 HG2 LYS A 24 -10.228 -9.874 -0.990 1.00 12.55 H new ATOM 0 HG3 LYS A 24 -10.471 -8.814 -2.365 1.00 12.55 H new ATOM 0 HD2 LYS A 24 -8.820 -11.362 -2.398 1.00 75.22 H new ATOM 0 HD3 LYS A 24 -10.470 -11.224 -2.971 1.00 75.22 H new ATOM 0 HE2 LYS A 24 -9.731 -9.538 -4.654 1.00 11.34 H new ATOM 0 HE3 LYS A 24 -8.081 -9.714 -4.093 1.00 11.34 H new ATOM 0 HZ1 LYS A 24 -8.497 -11.068 -6.030 1.00 54.34 H new ATOM 0 HZ2 LYS A 24 -8.156 -12.055 -4.691 1.00 54.34 H new ATOM 0 HZ3 LYS A 24 -9.756 -11.884 -5.235 1.00 54.34 H new ATOM 393 N HIS A 25 -6.902 -6.145 -1.026 1.00 30.53 N ATOM 394 CA HIS A 25 -5.625 -5.494 -0.732 1.00 32.24 C ATOM 395 C HIS A 25 -5.539 -4.123 -1.369 1.00 12.41 C ATOM 396 O HIS A 25 -6.366 -3.774 -2.203 1.00 70.13 O ATOM 397 CB HIS A 25 -4.420 -6.351 -1.196 1.00 14.32 C ATOM 398 CG HIS A 25 -4.165 -6.414 -2.695 1.00 12.13 C ATOM 399 ND1 HIS A 25 -3.729 -5.459 -3.563 1.00 60.31 N flip ATOM 400 CD2 HIS A 25 -4.261 -7.567 -3.439 1.00 53.52 C flip ATOM 401 CE1 HIS A 25 -3.570 -6.049 -4.773 1.00 73.04 C flip ATOM 402 NE2 HIS A 25 -3.890 -7.311 -4.678 1.00 14.05 N flip ATOM 0 H HIS A 25 -7.327 -5.889 -1.917 1.00 30.53 H new ATOM 0 HA HIS A 25 -5.580 -5.385 0.352 1.00 32.24 H new ATOM 0 HB2 HIS A 25 -3.522 -5.965 -0.714 1.00 14.32 H new ATOM 0 HB3 HIS A 25 -4.565 -7.368 -0.832 1.00 14.32 H new ATOM 0 HD2 HIS A 25 -4.588 -8.527 -3.068 1.00 53.52 H new ATOM 0 HE1 HIS A 25 -3.233 -5.554 -5.672 1.00 73.04 H new ATOM 0 HE2 HIS A 25 -3.858 -7.989 -5.439 1.00 14.05 H new ATOM 411 N LEU A 26 -4.483 -3.397 -1.021 1.00 54.24 N ATOM 412 CA LEU A 26 -4.219 -2.062 -1.551 1.00 60.11 C ATOM 413 C LEU A 26 -2.912 -2.056 -2.345 1.00 45.45 C ATOM 414 O LEU A 26 -1.977 -2.794 -2.022 1.00 3.32 O ATOM 415 CB LEU A 26 -4.099 -1.010 -0.414 1.00 70.22 C ATOM 416 CG LEU A 26 -5.371 -0.591 0.367 1.00 74.03 C ATOM 417 CD1 LEU A 26 -6.036 -1.760 1.069 1.00 51.24 C ATOM 418 CD2 LEU A 26 -5.014 0.488 1.376 1.00 62.42 C ATOM 0 H LEU A 26 -3.779 -3.720 -0.357 1.00 54.24 H new ATOM 0 HA LEU A 26 -5.059 -1.801 -2.195 1.00 60.11 H new ATOM 0 HB2 LEU A 26 -3.380 -1.391 0.311 1.00 70.22 H new ATOM 0 HB3 LEU A 26 -3.668 -0.107 -0.847 1.00 70.22 H new ATOM 0 HG LEU A 26 -6.089 -0.206 -0.357 1.00 74.03 H new ATOM 0 HD11 LEU A 26 -6.921 -1.410 1.600 1.00 51.24 H new ATOM 0 HD12 LEU A 26 -6.327 -2.509 0.332 1.00 51.24 H new ATOM 0 HD13 LEU A 26 -5.338 -2.203 1.780 1.00 51.24 H new ATOM 0 HD21 LEU A 26 -5.908 0.783 1.925 1.00 62.42 H new ATOM 0 HD22 LEU A 26 -4.270 0.102 2.073 1.00 62.42 H new ATOM 0 HD23 LEU A 26 -4.607 1.354 0.854 1.00 62.42 H new ATOM 430 N LYS A 27 -2.880 -1.272 -3.386 1.00 43.13 N ATOM 431 CA LYS A 27 -1.701 -1.057 -4.205 1.00 11.21 C ATOM 432 C LYS A 27 -1.391 0.437 -4.098 1.00 72.53 C ATOM 433 O LYS A 27 -2.220 1.253 -4.482 1.00 21.23 O ATOM 434 CB LYS A 27 -2.041 -1.416 -5.673 1.00 32.23 C ATOM 435 CG LYS A 27 -0.898 -1.278 -6.699 1.00 64.12 C ATOM 436 CD LYS A 27 0.156 -2.383 -6.624 1.00 24.05 C ATOM 437 CE LYS A 27 -0.404 -3.771 -6.969 1.00 4.13 C ATOM 438 NZ LYS A 27 -0.840 -3.907 -8.388 1.00 15.33 N ATOM 0 H LYS A 27 -3.693 -0.745 -3.705 1.00 43.13 H new ATOM 0 HA LYS A 27 -0.855 -1.666 -3.885 1.00 11.21 H new ATOM 0 HB2 LYS A 27 -2.399 -2.445 -5.698 1.00 32.23 H new ATOM 0 HB3 LYS A 27 -2.867 -0.783 -5.996 1.00 32.23 H new ATOM 0 HG2 LYS A 27 -1.326 -1.268 -7.702 1.00 64.12 H new ATOM 0 HG3 LYS A 27 -0.408 -0.315 -6.552 1.00 64.12 H new ATOM 0 HD2 LYS A 27 0.972 -2.146 -7.307 1.00 24.05 H new ATOM 0 HD3 LYS A 27 0.578 -2.407 -5.619 1.00 24.05 H new ATOM 0 HE2 LYS A 27 0.357 -4.522 -6.759 1.00 4.13 H new ATOM 0 HE3 LYS A 27 -1.251 -3.984 -6.316 1.00 4.13 H new ATOM 0 HZ1 LYS A 27 -1.206 -4.867 -8.548 1.00 15.33 H new ATOM 0 HZ2 LYS A 27 -1.588 -3.213 -8.589 1.00 15.33 H new ATOM 0 HZ3 LYS A 27 -0.030 -3.735 -9.018 1.00 15.33 H new ATOM 452 N ILE A 28 -0.231 0.786 -3.581 1.00 13.23 N ATOM 453 CA ILE A 28 0.102 2.192 -3.338 1.00 64.43 C ATOM 454 C ILE A 28 1.317 2.612 -4.155 1.00 5.24 C ATOM 455 O ILE A 28 2.374 1.964 -4.102 1.00 71.13 O ATOM 456 CB ILE A 28 0.410 2.477 -1.836 1.00 71.30 C ATOM 457 CG1 ILE A 28 -0.724 1.987 -0.925 1.00 25.04 C ATOM 458 CG2 ILE A 28 0.638 3.974 -1.621 1.00 2.34 C ATOM 459 CD1 ILE A 28 -0.475 2.248 0.552 1.00 2.53 C ATOM 0 H ILE A 28 0.501 0.125 -3.319 1.00 13.23 H new ATOM 0 HA ILE A 28 -0.776 2.765 -3.636 1.00 64.43 H new ATOM 0 HB ILE A 28 1.315 1.929 -1.573 1.00 71.30 H new ATOM 0 HG12 ILE A 28 -1.653 2.476 -1.220 1.00 25.04 H new ATOM 0 HG13 ILE A 28 -0.865 0.917 -1.078 1.00 25.04 H new ATOM 0 HG21 ILE A 28 0.852 4.162 -0.569 1.00 2.34 H new ATOM 0 HG22 ILE A 28 1.481 4.304 -2.228 1.00 2.34 H new ATOM 0 HG23 ILE A 28 -0.257 4.524 -1.913 1.00 2.34 H new ATOM 0 HD11 ILE A 28 -1.318 1.875 1.134 1.00 2.53 H new ATOM 0 HD12 ILE A 28 0.436 1.737 0.863 1.00 2.53 H new ATOM 0 HD13 ILE A 28 -0.364 3.320 0.719 1.00 2.53 H new ATOM 471 N LEU A 29 1.162 3.675 -4.907 1.00 32.21 N ATOM 472 CA LEU A 29 2.226 4.230 -5.718 1.00 44.31 C ATOM 473 C LEU A 29 2.314 5.741 -5.490 1.00 21.11 C ATOM 474 O LEU A 29 1.288 6.407 -5.290 1.00 14.41 O ATOM 475 CB LEU A 29 2.015 3.954 -7.249 1.00 61.14 C ATOM 476 CG LEU A 29 2.030 2.479 -7.738 1.00 50.44 C ATOM 477 CD1 LEU A 29 0.811 1.684 -7.338 1.00 21.32 C ATOM 478 CD2 LEU A 29 2.285 2.367 -9.223 1.00 11.40 C ATOM 0 H LEU A 29 0.283 4.188 -4.976 1.00 32.21 H new ATOM 0 HA LEU A 29 3.152 3.742 -5.414 1.00 44.31 H new ATOM 0 HB2 LEU A 29 1.059 4.391 -7.537 1.00 61.14 H new ATOM 0 HB3 LEU A 29 2.789 4.494 -7.794 1.00 61.14 H new ATOM 0 HG LEU A 29 2.872 2.027 -7.214 1.00 50.44 H new ATOM 0 HD11 LEU A 29 0.900 0.666 -7.718 1.00 21.32 H new ATOM 0 HD12 LEU A 29 0.733 1.660 -6.251 1.00 21.32 H new ATOM 0 HD13 LEU A 29 -0.081 2.151 -7.756 1.00 21.32 H new ATOM 0 HD21 LEU A 29 2.286 1.317 -9.514 1.00 11.40 H new ATOM 0 HD22 LEU A 29 1.501 2.894 -9.767 1.00 11.40 H new ATOM 0 HD23 LEU A 29 3.252 2.810 -9.460 1.00 11.40 H new ATOM 490 N ASN A 30 3.517 6.282 -5.481 1.00 13.42 N ATOM 491 CA ASN A 30 3.673 7.727 -5.416 1.00 25.24 C ATOM 492 C ASN A 30 3.859 8.261 -6.794 1.00 33.33 C ATOM 493 O ASN A 30 4.869 8.008 -7.448 1.00 0.32 O ATOM 494 CB ASN A 30 4.781 8.229 -4.464 1.00 54.14 C ATOM 495 CG ASN A 30 4.464 8.039 -2.977 1.00 43.34 C ATOM 496 OD1 ASN A 30 3.191 8.020 -2.625 1.00 23.42 O flip ATOM 497 ND2 ASN A 30 5.368 7.916 -2.150 1.00 15.40 N flip ATOM 0 H ASN A 30 4.390 5.755 -5.517 1.00 13.42 H new ATOM 0 HA ASN A 30 2.755 8.114 -4.974 1.00 25.24 H new ATOM 0 HB2 ASN A 30 5.709 7.706 -4.696 1.00 54.14 H new ATOM 0 HB3 ASN A 30 4.956 9.288 -4.654 1.00 54.14 H new ATOM 0 HD21 ASN A 30 6.342 7.935 -2.452 1.00 15.40 H new ATOM 0 HD22 ASN A 30 5.143 7.795 -1.162 1.00 15.40 H new ATOM 504 N THR A 31 2.878 8.960 -7.229 1.00 55.41 N ATOM 505 CA THR A 31 2.793 9.467 -8.553 1.00 52.21 C ATOM 506 C THR A 31 3.314 10.908 -8.677 1.00 5.44 C ATOM 507 O THR A 31 3.311 11.650 -7.709 1.00 54.31 O ATOM 508 CB THR A 31 1.344 9.394 -8.947 1.00 51.50 C ATOM 509 OG1 THR A 31 0.568 9.869 -7.837 1.00 32.43 O ATOM 510 CG2 THR A 31 0.957 7.970 -9.241 1.00 23.23 C ATOM 0 H THR A 31 2.076 9.207 -6.649 1.00 55.41 H new ATOM 0 HA THR A 31 3.425 8.872 -9.212 1.00 52.21 H new ATOM 0 HB THR A 31 1.168 9.996 -9.839 1.00 51.50 H new ATOM 0 HG1 THR A 31 0.907 10.743 -7.551 1.00 32.43 H new ATOM 0 HG21 THR A 31 -0.095 7.930 -9.525 1.00 23.23 H new ATOM 0 HG22 THR A 31 1.569 7.588 -10.058 1.00 23.23 H new ATOM 0 HG23 THR A 31 1.116 7.359 -8.353 1.00 23.23 H new ATOM 518 N PRO A 32 3.766 11.304 -9.882 1.00 64.35 N ATOM 519 CA PRO A 32 4.311 12.647 -10.136 1.00 53.24 C ATOM 520 C PRO A 32 3.255 13.771 -10.070 1.00 43.23 C ATOM 521 O PRO A 32 3.431 14.754 -9.344 1.00 60.41 O ATOM 522 CB PRO A 32 4.889 12.546 -11.561 1.00 62.23 C ATOM 523 CG PRO A 32 4.934 11.086 -11.864 1.00 12.03 C ATOM 524 CD PRO A 32 3.820 10.468 -11.089 1.00 70.03 C ATOM 0 HA PRO A 32 5.042 12.916 -9.373 1.00 53.24 H new ATOM 0 HB2 PRO A 32 4.263 13.078 -12.278 1.00 62.23 H new ATOM 0 HB3 PRO A 32 5.883 12.990 -11.615 1.00 62.23 H new ATOM 0 HG2 PRO A 32 4.812 10.906 -12.932 1.00 12.03 H new ATOM 0 HG3 PRO A 32 5.894 10.658 -11.576 1.00 12.03 H new ATOM 0 HD2 PRO A 32 2.880 10.492 -11.641 1.00 70.03 H new ATOM 0 HD3 PRO A 32 4.023 9.424 -10.850 1.00 70.03 H new ATOM 532 N ASN A 33 2.171 13.624 -10.825 1.00 65.04 N ATOM 533 CA ASN A 33 1.135 14.672 -10.892 1.00 75.01 C ATOM 534 C ASN A 33 -0.063 14.329 -9.978 1.00 35.11 C ATOM 535 O ASN A 33 -1.093 15.017 -9.960 1.00 53.01 O ATOM 536 CB ASN A 33 0.681 14.873 -12.362 1.00 70.12 C ATOM 537 CG ASN A 33 -0.323 16.010 -12.551 1.00 61.44 C ATOM 538 OD1 ASN A 33 -0.324 16.998 -11.814 1.00 62.22 O ATOM 539 ND2 ASN A 33 -1.166 15.884 -13.537 1.00 10.11 N ATOM 0 H ASN A 33 1.980 12.801 -11.397 1.00 65.04 H new ATOM 0 HA ASN A 33 1.561 15.608 -10.530 1.00 75.01 H new ATOM 0 HB2 ASN A 33 1.558 15.070 -12.979 1.00 70.12 H new ATOM 0 HB3 ASN A 33 0.237 13.946 -12.725 1.00 70.12 H new ATOM 0 HD21 ASN A 33 -1.853 16.616 -13.717 1.00 10.11 H new ATOM 0 HD22 ASN A 33 -1.139 15.053 -14.128 1.00 10.11 H new ATOM 546 N CYS A 34 0.081 13.297 -9.203 1.00 5.04 N ATOM 547 CA CYS A 34 -0.976 12.894 -8.302 1.00 73.33 C ATOM 548 C CYS A 34 -0.389 12.745 -6.899 1.00 51.11 C ATOM 549 O CYS A 34 0.756 12.336 -6.759 1.00 24.22 O ATOM 550 CB CYS A 34 -1.633 11.594 -8.799 1.00 50.51 C ATOM 551 SG CYS A 34 -2.237 11.685 -10.515 1.00 33.14 S ATOM 0 H CYS A 34 0.917 12.713 -9.170 1.00 5.04 H new ATOM 0 HA CYS A 34 -1.760 13.650 -8.270 1.00 73.33 H new ATOM 0 HB2 CYS A 34 -0.912 10.780 -8.720 1.00 50.51 H new ATOM 0 HB3 CYS A 34 -2.467 11.346 -8.143 1.00 50.51 H new ATOM 556 N ALA A 35 -1.164 13.097 -5.887 1.00 73.24 N ATOM 557 CA ALA A 35 -0.719 13.127 -4.482 1.00 55.00 C ATOM 558 C ALA A 35 -0.194 11.770 -3.989 1.00 22.14 C ATOM 559 O ALA A 35 1.008 11.576 -3.775 1.00 0.14 O ATOM 560 CB ALA A 35 -1.880 13.580 -3.610 1.00 73.43 C ATOM 0 H ALA A 35 -2.137 13.376 -6.008 1.00 73.24 H new ATOM 0 HA ALA A 35 0.115 13.825 -4.414 1.00 55.00 H new ATOM 0 HB1 ALA A 35 -1.563 13.606 -2.567 1.00 73.43 H new ATOM 0 HB2 ALA A 35 -2.199 14.576 -3.918 1.00 73.43 H new ATOM 0 HB3 ALA A 35 -2.711 12.883 -3.719 1.00 73.43 H new ATOM 566 N CYS A 36 -1.091 10.861 -3.825 1.00 31.20 N ATOM 567 CA CYS A 36 -0.804 9.539 -3.356 1.00 72.23 C ATOM 568 C CYS A 36 -1.747 8.661 -4.138 1.00 64.10 C ATOM 569 O CYS A 36 -2.893 9.049 -4.346 1.00 2.31 O ATOM 570 CB CYS A 36 -1.068 9.469 -1.818 1.00 44.52 C ATOM 571 SG CYS A 36 -0.617 7.902 -0.993 1.00 13.23 S ATOM 0 H CYS A 36 -2.080 11.017 -4.019 1.00 31.20 H new ATOM 0 HA CYS A 36 0.232 9.231 -3.500 1.00 72.23 H new ATOM 0 HB2 CYS A 36 -0.518 10.279 -1.339 1.00 44.52 H new ATOM 0 HB3 CYS A 36 -2.128 9.656 -1.643 1.00 44.52 H new ATOM 576 N GLN A 37 -1.290 7.549 -4.631 1.00 21.05 N ATOM 577 CA GLN A 37 -2.122 6.764 -5.503 1.00 33.43 C ATOM 578 C GLN A 37 -2.355 5.398 -4.915 1.00 34.40 C ATOM 579 O GLN A 37 -1.412 4.628 -4.739 1.00 50.33 O ATOM 580 CB GLN A 37 -1.453 6.645 -6.874 1.00 52.34 C ATOM 581 CG GLN A 37 -2.355 6.118 -7.978 1.00 24.32 C ATOM 582 CD GLN A 37 -3.533 7.043 -8.255 1.00 42.13 C ATOM 583 OE1 GLN A 37 -4.598 6.593 -8.681 1.00 74.32 O ATOM 584 NE2 GLN A 37 -3.352 8.337 -8.004 1.00 2.22 N ATOM 0 H GLN A 37 -0.362 7.167 -4.451 1.00 21.05 H new ATOM 0 HA GLN A 37 -3.088 7.257 -5.616 1.00 33.43 H new ATOM 0 HB2 GLN A 37 -1.079 7.626 -7.167 1.00 52.34 H new ATOM 0 HB3 GLN A 37 -0.588 5.987 -6.785 1.00 52.34 H new ATOM 0 HG2 GLN A 37 -1.772 5.992 -8.891 1.00 24.32 H new ATOM 0 HG3 GLN A 37 -2.728 5.132 -7.700 1.00 24.32 H new ATOM 0 HE21 GLN A 37 -2.454 8.667 -7.652 1.00 2.22 H new ATOM 0 HE22 GLN A 37 -4.112 8.999 -8.164 1.00 2.22 H new ATOM 593 N ILE A 38 -3.585 5.109 -4.605 1.00 25.41 N ATOM 594 CA ILE A 38 -3.950 3.836 -4.046 1.00 51.03 C ATOM 595 C ILE A 38 -5.029 3.213 -4.910 1.00 62.41 C ATOM 596 O ILE A 38 -5.976 3.877 -5.286 1.00 15.24 O ATOM 597 CB ILE A 38 -4.479 3.978 -2.586 1.00 41.54 C ATOM 598 CG1 ILE A 38 -3.440 4.688 -1.701 1.00 63.14 C ATOM 599 CG2 ILE A 38 -4.833 2.605 -2.004 1.00 12.13 C ATOM 600 CD1 ILE A 38 -3.853 4.838 -0.253 1.00 53.14 C ATOM 0 H ILE A 38 -4.368 5.751 -4.732 1.00 25.41 H new ATOM 0 HA ILE A 38 -3.061 3.205 -4.021 1.00 51.03 H new ATOM 0 HB ILE A 38 -5.384 4.585 -2.608 1.00 41.54 H new ATOM 0 HG12 ILE A 38 -2.503 4.132 -1.744 1.00 63.14 H new ATOM 0 HG13 ILE A 38 -3.243 5.677 -2.115 1.00 63.14 H new ATOM 0 HG21 ILE A 38 -5.200 2.726 -0.985 1.00 12.13 H new ATOM 0 HG22 ILE A 38 -5.606 2.139 -2.615 1.00 12.13 H new ATOM 0 HG23 ILE A 38 -3.945 1.973 -1.997 1.00 12.13 H new ATOM 0 HD11 ILE A 38 -3.064 5.348 0.299 1.00 53.14 H new ATOM 0 HD12 ILE A 38 -4.772 5.421 -0.195 1.00 53.14 H new ATOM 0 HD13 ILE A 38 -4.021 3.853 0.181 1.00 53.14 H new ATOM 612 N VAL A 39 -4.864 1.971 -5.261 1.00 44.24 N ATOM 613 CA VAL A 39 -5.863 1.249 -6.032 1.00 34.54 C ATOM 614 C VAL A 39 -6.101 -0.090 -5.335 1.00 33.24 C ATOM 615 O VAL A 39 -5.173 -0.640 -4.731 1.00 44.30 O ATOM 616 CB VAL A 39 -5.400 1.020 -7.513 1.00 32.12 C ATOM 617 CG1 VAL A 39 -6.494 0.360 -8.344 1.00 32.32 C ATOM 618 CG2 VAL A 39 -4.947 2.323 -8.168 1.00 24.54 C ATOM 0 H VAL A 39 -4.038 1.421 -5.027 1.00 44.24 H new ATOM 0 HA VAL A 39 -6.782 1.833 -6.079 1.00 34.54 H new ATOM 0 HB VAL A 39 -4.545 0.344 -7.477 1.00 32.12 H new ATOM 0 HG11 VAL A 39 -6.139 0.216 -9.365 1.00 32.32 H new ATOM 0 HG12 VAL A 39 -6.748 -0.606 -7.909 1.00 32.32 H new ATOM 0 HG13 VAL A 39 -7.378 0.997 -8.354 1.00 32.32 H new ATOM 0 HG21 VAL A 39 -4.633 2.125 -9.193 1.00 24.54 H new ATOM 0 HG22 VAL A 39 -5.773 3.034 -8.172 1.00 24.54 H new ATOM 0 HG23 VAL A 39 -4.111 2.741 -7.607 1.00 24.54 H new ATOM 628 N ALA A 40 -7.311 -0.604 -5.379 1.00 2.54 N ATOM 629 CA ALA A 40 -7.615 -1.824 -4.674 1.00 34.42 C ATOM 630 C ALA A 40 -8.430 -2.795 -5.508 1.00 63.34 C ATOM 631 O ALA A 40 -9.340 -2.402 -6.272 1.00 53.21 O ATOM 632 CB ALA A 40 -8.333 -1.522 -3.373 1.00 41.23 C ATOM 0 H ALA A 40 -8.093 -0.198 -5.892 1.00 2.54 H new ATOM 0 HA ALA A 40 -6.662 -2.307 -4.459 1.00 34.42 H new ATOM 0 HB1 ALA A 40 -8.554 -2.455 -2.855 1.00 41.23 H new ATOM 0 HB2 ALA A 40 -7.698 -0.899 -2.743 1.00 41.23 H new ATOM 0 HB3 ALA A 40 -9.263 -0.995 -3.585 1.00 41.23 H new ATOM 638 N ARG A 41 -8.102 -4.061 -5.360 1.00 31.22 N ATOM 639 CA ARG A 41 -8.833 -5.106 -6.015 1.00 10.41 C ATOM 640 C ARG A 41 -9.834 -5.711 -5.061 1.00 32.21 C ATOM 641 O ARG A 41 -9.474 -6.161 -3.953 1.00 61.33 O ATOM 642 CB ARG A 41 -7.930 -6.202 -6.610 1.00 20.42 C ATOM 643 CG ARG A 41 -7.050 -5.750 -7.767 1.00 35.14 C ATOM 644 CD ARG A 41 -6.430 -6.948 -8.462 1.00 41.44 C ATOM 645 NE ARG A 41 -5.730 -6.594 -9.702 1.00 73.32 N ATOM 646 CZ ARG A 41 -5.278 -7.495 -10.601 1.00 73.42 C ATOM 647 NH1 ARG A 41 -5.386 -8.797 -10.358 1.00 14.34 N ATOM 648 NH2 ARG A 41 -4.733 -7.087 -11.736 1.00 24.32 N ATOM 0 H ARG A 41 -7.325 -4.386 -4.784 1.00 31.22 H new ATOM 0 HA ARG A 41 -9.352 -4.646 -6.856 1.00 10.41 H new ATOM 0 HB2 ARG A 41 -7.291 -6.595 -5.819 1.00 20.42 H new ATOM 0 HB3 ARG A 41 -8.559 -7.025 -6.951 1.00 20.42 H new ATOM 0 HG2 ARG A 41 -7.642 -5.175 -8.479 1.00 35.14 H new ATOM 0 HG3 ARG A 41 -6.265 -5.089 -7.398 1.00 35.14 H new ATOM 0 HD2 ARG A 41 -5.730 -7.433 -7.782 1.00 41.44 H new ATOM 0 HD3 ARG A 41 -7.211 -7.675 -8.687 1.00 41.44 H new ATOM 0 HE ARG A 41 -5.575 -5.605 -9.897 1.00 73.32 H new ATOM 0 HH11 ARG A 41 -5.812 -9.120 -9.489 1.00 14.34 H new ATOM 0 HH12 ARG A 41 -5.043 -9.473 -11.040 1.00 14.34 H new ATOM 0 HH21 ARG A 41 -4.653 -6.090 -11.934 1.00 24.32 H new ATOM 0 HH22 ARG A 41 -4.393 -7.770 -12.413 1.00 24.32 H new ATOM 662 N LEU A 42 -11.071 -5.686 -5.477 1.00 43.31 N ATOM 663 CA LEU A 42 -12.189 -6.224 -4.726 1.00 52.43 C ATOM 664 C LEU A 42 -12.161 -7.750 -4.727 1.00 12.41 C ATOM 665 O LEU A 42 -11.410 -8.368 -5.491 1.00 23.01 O ATOM 666 CB LEU A 42 -13.509 -5.736 -5.362 1.00 13.11 C ATOM 667 CG LEU A 42 -13.723 -4.213 -5.411 1.00 14.42 C ATOM 668 CD1 LEU A 42 -15.021 -3.877 -6.121 1.00 72.22 C ATOM 669 CD2 LEU A 42 -13.733 -3.628 -4.015 1.00 11.04 C ATOM 0 H LEU A 42 -11.344 -5.281 -6.372 1.00 43.31 H new ATOM 0 HA LEU A 42 -12.116 -5.877 -3.695 1.00 52.43 H new ATOM 0 HB2 LEU A 42 -13.560 -6.121 -6.380 1.00 13.11 H new ATOM 0 HB3 LEU A 42 -14.338 -6.180 -4.811 1.00 13.11 H new ATOM 0 HG LEU A 42 -12.894 -3.776 -5.968 1.00 14.42 H new ATOM 0 HD11 LEU A 42 -15.153 -2.795 -6.145 1.00 72.22 H new ATOM 0 HD12 LEU A 42 -14.988 -4.261 -7.141 1.00 72.22 H new ATOM 0 HD13 LEU A 42 -15.856 -4.333 -5.588 1.00 72.22 H new ATOM 0 HD21 LEU A 42 -13.886 -2.550 -4.073 1.00 11.04 H new ATOM 0 HD22 LEU A 42 -14.541 -4.078 -3.438 1.00 11.04 H new ATOM 0 HD23 LEU A 42 -12.780 -3.834 -3.527 1.00 11.04 H new ATOM 681 N LYS A 43 -12.928 -8.337 -3.844 1.00 52.20 N ATOM 682 CA LYS A 43 -13.121 -9.770 -3.799 1.00 11.12 C ATOM 683 C LYS A 43 -13.801 -10.261 -5.080 1.00 73.45 C ATOM 684 O LYS A 43 -14.998 -10.012 -5.300 1.00 73.51 O ATOM 685 CB LYS A 43 -13.939 -10.077 -2.572 1.00 53.32 C ATOM 686 CG LYS A 43 -13.193 -9.729 -1.306 1.00 31.20 C ATOM 687 CD LYS A 43 -14.102 -9.610 -0.120 1.00 71.21 C ATOM 688 CE LYS A 43 -14.893 -10.882 0.150 1.00 20.30 C ATOM 689 NZ LYS A 43 -15.802 -10.734 1.306 1.00 34.40 N ATOM 0 H LYS A 43 -13.444 -7.829 -3.125 1.00 52.20 H new ATOM 0 HA LYS A 43 -12.166 -10.292 -3.740 1.00 11.12 H new ATOM 0 HB2 LYS A 43 -14.875 -9.519 -2.609 1.00 53.32 H new ATOM 0 HB3 LYS A 43 -14.199 -11.135 -2.563 1.00 53.32 H new ATOM 0 HG2 LYS A 43 -12.442 -10.494 -1.109 1.00 31.20 H new ATOM 0 HG3 LYS A 43 -12.661 -8.788 -1.448 1.00 31.20 H new ATOM 0 HD2 LYS A 43 -13.510 -9.362 0.761 1.00 71.21 H new ATOM 0 HD3 LYS A 43 -14.795 -8.784 -0.281 1.00 71.21 H new ATOM 0 HE2 LYS A 43 -15.472 -11.143 -0.736 1.00 20.30 H new ATOM 0 HE3 LYS A 43 -14.203 -11.706 0.334 1.00 20.30 H new ATOM 0 HZ1 LYS A 43 -16.321 -11.623 1.455 1.00 34.40 H new ATOM 0 HZ2 LYS A 43 -15.248 -10.510 2.157 1.00 34.40 H new ATOM 0 HZ3 LYS A 43 -16.477 -9.965 1.120 1.00 34.40 H new ATOM 745 N ARG A 47 -14.794 -5.426 -10.319 1.00 50.25 N ATOM 746 CA ARG A 47 -13.970 -4.454 -11.024 1.00 22.03 C ATOM 747 C ARG A 47 -12.897 -4.100 -10.029 1.00 23.31 C ATOM 748 O ARG A 47 -13.080 -4.362 -8.833 1.00 50.14 O ATOM 749 CB ARG A 47 -14.697 -3.116 -11.430 1.00 5.12 C ATOM 750 CG ARG A 47 -15.062 -2.189 -10.261 1.00 41.02 C ATOM 751 CD ARG A 47 -16.314 -2.611 -9.527 1.00 52.34 C ATOM 752 NE ARG A 47 -17.465 -1.798 -9.928 1.00 31.23 N ATOM 753 CZ ARG A 47 -18.620 -2.247 -10.415 1.00 62.53 C ATOM 754 NH1 ARG A 47 -18.761 -3.526 -10.794 1.00 34.20 N ATOM 755 NH2 ARG A 47 -19.617 -1.398 -10.566 1.00 3.15 N ATOM 0 HA ARG A 47 -13.637 -4.895 -11.963 1.00 22.03 H new ATOM 0 HB2 ARG A 47 -14.056 -2.568 -12.121 1.00 5.12 H new ATOM 0 HB3 ARG A 47 -15.609 -3.367 -11.972 1.00 5.12 H new ATOM 0 HG2 ARG A 47 -14.230 -2.159 -9.557 1.00 41.02 H new ATOM 0 HG3 ARG A 47 -15.196 -1.175 -10.639 1.00 41.02 H new ATOM 0 HD2 ARG A 47 -16.520 -3.662 -9.729 1.00 52.34 H new ATOM 0 HD3 ARG A 47 -16.157 -2.518 -8.452 1.00 52.34 H new ATOM 0 HE ARG A 47 -17.372 -0.788 -9.824 1.00 31.23 H new ATOM 0 HH11 ARG A 47 -17.976 -4.172 -10.711 1.00 34.20 H new ATOM 0 HH12 ARG A 47 -19.653 -3.853 -11.165 1.00 34.20 H new ATOM 0 HH21 ARG A 47 -19.495 -0.418 -10.311 1.00 3.15 H new ATOM 0 HH22 ARG A 47 -20.510 -1.721 -10.937 1.00 3.15 H new ATOM 769 N GLN A 48 -11.801 -3.567 -10.456 1.00 0.21 N ATOM 770 CA GLN A 48 -10.864 -3.053 -9.490 1.00 54.43 C ATOM 771 C GLN A 48 -11.064 -1.565 -9.407 1.00 2.01 C ATOM 772 O GLN A 48 -11.255 -0.914 -10.428 1.00 55.30 O ATOM 773 CB GLN A 48 -9.383 -3.470 -9.756 1.00 2.31 C ATOM 774 CG GLN A 48 -8.521 -2.783 -10.872 1.00 25.02 C ATOM 775 CD GLN A 48 -9.058 -2.776 -12.310 1.00 2.31 C ATOM 776 OE1 GLN A 48 -10.294 -2.422 -12.511 1.00 71.02 O flip ATOM 777 NE2 GLN A 48 -8.270 -2.921 -13.251 1.00 22.10 N flip ATOM 0 H GLN A 48 -11.529 -3.473 -11.435 1.00 0.21 H new ATOM 0 HA GLN A 48 -11.068 -3.505 -8.519 1.00 54.43 H new ATOM 0 HB2 GLN A 48 -8.845 -3.341 -8.817 1.00 2.31 H new ATOM 0 HB3 GLN A 48 -9.390 -4.538 -9.975 1.00 2.31 H new ATOM 0 HG2 GLN A 48 -8.357 -1.747 -10.574 1.00 25.02 H new ATOM 0 HG3 GLN A 48 -7.546 -3.269 -10.884 1.00 25.02 H new ATOM 0 HE21 GLN A 48 -7.305 -3.199 -13.070 1.00 22.10 H new ATOM 0 HE22 GLN A 48 -8.584 -2.763 -14.208 1.00 22.10 H new ATOM 786 N VAL A 49 -11.079 -1.032 -8.232 1.00 43.13 N ATOM 787 CA VAL A 49 -11.360 0.373 -8.091 1.00 74.11 C ATOM 788 C VAL A 49 -10.180 1.102 -7.570 1.00 51.13 C ATOM 789 O VAL A 49 -9.316 0.522 -6.922 1.00 74.34 O ATOM 790 CB VAL A 49 -12.669 0.734 -7.285 1.00 73.20 C ATOM 791 CG1 VAL A 49 -13.908 0.218 -7.983 1.00 2.12 C ATOM 792 CG2 VAL A 49 -12.638 0.232 -5.853 1.00 64.50 C ATOM 0 H VAL A 49 -10.904 -1.532 -7.361 1.00 43.13 H new ATOM 0 HA VAL A 49 -11.576 0.711 -9.104 1.00 74.11 H new ATOM 0 HB VAL A 49 -12.706 1.823 -7.251 1.00 73.20 H new ATOM 0 HG11 VAL A 49 -14.791 0.484 -7.401 1.00 2.12 H new ATOM 0 HG12 VAL A 49 -13.979 0.664 -8.975 1.00 2.12 H new ATOM 0 HG13 VAL A 49 -13.848 -0.866 -8.076 1.00 2.12 H new ATOM 0 HG21 VAL A 49 -13.564 0.510 -5.350 1.00 64.50 H new ATOM 0 HG22 VAL A 49 -12.535 -0.853 -5.850 1.00 64.50 H new ATOM 0 HG23 VAL A 49 -11.792 0.678 -5.329 1.00 64.50 H new ATOM 802 N CYS A 50 -10.147 2.355 -7.815 1.00 33.54 N ATOM 803 CA CYS A 50 -9.042 3.155 -7.428 1.00 65.43 C ATOM 804 C CYS A 50 -9.477 3.830 -6.183 1.00 53.52 C ATOM 805 O CYS A 50 -10.602 4.245 -6.094 1.00 51.54 O ATOM 806 CB CYS A 50 -8.793 4.184 -8.504 1.00 75.33 C ATOM 807 SG CYS A 50 -8.679 3.493 -10.189 1.00 2.01 S ATOM 0 H CYS A 50 -10.890 2.863 -8.294 1.00 33.54 H new ATOM 0 HA CYS A 50 -8.129 2.578 -7.282 1.00 65.43 H new ATOM 0 HB2 CYS A 50 -9.596 4.921 -8.479 1.00 75.33 H new ATOM 0 HB3 CYS A 50 -7.868 4.714 -8.277 1.00 75.33 H new ATOM 812 N ILE A 51 -8.626 3.913 -5.216 1.00 54.31 N ATOM 813 CA ILE A 51 -9.037 4.334 -3.910 1.00 24.24 C ATOM 814 C ILE A 51 -8.537 5.729 -3.591 1.00 21.10 C ATOM 815 O ILE A 51 -7.500 6.157 -4.080 1.00 22.32 O ATOM 816 CB ILE A 51 -8.525 3.332 -2.834 1.00 11.44 C ATOM 817 CG1 ILE A 51 -8.853 1.897 -3.240 1.00 64.32 C ATOM 818 CG2 ILE A 51 -9.159 3.617 -1.488 1.00 60.00 C ATOM 819 CD1 ILE A 51 -10.323 1.648 -3.484 1.00 70.14 C ATOM 0 H ILE A 51 -7.634 3.694 -5.302 1.00 54.31 H new ATOM 0 HA ILE A 51 -10.127 4.354 -3.898 1.00 24.24 H new ATOM 0 HB ILE A 51 -7.445 3.453 -2.757 1.00 11.44 H new ATOM 0 HG12 ILE A 51 -8.298 1.651 -4.145 1.00 64.32 H new ATOM 0 HG13 ILE A 51 -8.505 1.221 -2.459 1.00 64.32 H new ATOM 0 HG21 ILE A 51 -8.786 2.904 -0.752 1.00 60.00 H new ATOM 0 HG22 ILE A 51 -8.906 4.629 -1.174 1.00 60.00 H new ATOM 0 HG23 ILE A 51 -10.242 3.522 -1.569 1.00 60.00 H new ATOM 0 HD11 ILE A 51 -10.473 0.606 -3.768 1.00 70.14 H new ATOM 0 HD12 ILE A 51 -10.884 1.861 -2.574 1.00 70.14 H new ATOM 0 HD13 ILE A 51 -10.674 2.297 -4.286 1.00 70.14 H new ATOM 831 N ASP A 52 -9.305 6.423 -2.807 1.00 0.43 N ATOM 832 CA ASP A 52 -8.980 7.742 -2.336 1.00 51.02 C ATOM 833 C ASP A 52 -8.070 7.624 -1.133 1.00 13.50 C ATOM 834 O ASP A 52 -8.399 6.930 -0.183 1.00 43.31 O ATOM 835 CB ASP A 52 -10.277 8.445 -1.925 1.00 74.42 C ATOM 836 CG ASP A 52 -10.101 9.860 -1.435 1.00 52.34 C ATOM 837 OD1 ASP A 52 -9.112 10.521 -1.802 1.00 53.42 O ATOM 838 OD2 ASP A 52 -10.948 10.331 -0.663 1.00 24.13 O ATOM 0 H ASP A 52 -10.203 6.080 -2.465 1.00 0.43 H new ATOM 0 HA ASP A 52 -8.479 8.312 -3.118 1.00 51.02 H new ATOM 0 HB2 ASP A 52 -10.956 8.452 -2.778 1.00 74.42 H new ATOM 0 HB3 ASP A 52 -10.758 7.861 -1.140 1.00 74.42 H new ATOM 843 N PRO A 53 -6.901 8.276 -1.155 1.00 32.32 N ATOM 844 CA PRO A 53 -6.001 8.287 -0.003 1.00 2.24 C ATOM 845 C PRO A 53 -6.657 9.016 1.168 1.00 12.23 C ATOM 846 O PRO A 53 -6.316 8.810 2.319 1.00 0.21 O ATOM 847 CB PRO A 53 -4.775 9.079 -0.479 1.00 31.43 C ATOM 848 CG PRO A 53 -4.930 9.258 -1.953 1.00 33.51 C ATOM 849 CD PRO A 53 -6.368 9.025 -2.300 1.00 2.04 C ATOM 0 HA PRO A 53 -5.750 7.282 0.335 1.00 2.24 H new ATOM 0 HB2 PRO A 53 -4.717 10.044 0.025 1.00 31.43 H new ATOM 0 HB3 PRO A 53 -3.854 8.544 -0.248 1.00 31.43 H new ATOM 0 HG2 PRO A 53 -4.625 10.262 -2.249 1.00 33.51 H new ATOM 0 HG3 PRO A 53 -4.290 8.558 -2.491 1.00 33.51 H new ATOM 0 HD2 PRO A 53 -6.900 9.966 -2.443 1.00 2.04 H new ATOM 0 HD3 PRO A 53 -6.467 8.459 -3.226 1.00 2.04 H new ATOM 857 N LYS A 54 -7.618 9.851 0.829 1.00 73.34 N ATOM 858 CA LYS A 54 -8.360 10.654 1.779 1.00 71.51 C ATOM 859 C LYS A 54 -9.574 9.896 2.356 1.00 1.31 C ATOM 860 O LYS A 54 -10.318 10.440 3.167 1.00 11.44 O ATOM 861 CB LYS A 54 -8.825 11.930 1.078 1.00 3.14 C ATOM 862 CG LYS A 54 -7.715 12.870 0.672 1.00 74.33 C ATOM 863 CD LYS A 54 -8.252 14.144 0.015 1.00 40.05 C ATOM 864 CE LYS A 54 -8.812 13.944 -1.410 1.00 11.43 C ATOM 865 NZ LYS A 54 -9.947 13.000 -1.527 1.00 41.44 N ATOM 0 H LYS A 54 -7.911 9.993 -0.137 1.00 73.34 H new ATOM 0 HA LYS A 54 -7.705 10.892 2.617 1.00 71.51 H new ATOM 0 HB2 LYS A 54 -9.391 11.653 0.189 1.00 3.14 H new ATOM 0 HB3 LYS A 54 -9.509 12.462 1.739 1.00 3.14 H new ATOM 0 HG2 LYS A 54 -7.126 13.136 1.550 1.00 74.33 H new ATOM 0 HG3 LYS A 54 -7.044 12.361 -0.020 1.00 74.33 H new ATOM 0 HD2 LYS A 54 -9.038 14.559 0.646 1.00 40.05 H new ATOM 0 HD3 LYS A 54 -7.451 14.883 -0.024 1.00 40.05 H new ATOM 0 HE2 LYS A 54 -9.128 14.913 -1.796 1.00 11.43 H new ATOM 0 HE3 LYS A 54 -8.004 13.594 -2.052 1.00 11.43 H new ATOM 0 HZ1 LYS A 54 -10.499 13.225 -2.379 1.00 41.44 H new ATOM 0 HZ2 LYS A 54 -9.584 12.028 -1.596 1.00 41.44 H new ATOM 0 HZ3 LYS A 54 -10.556 13.084 -0.688 1.00 41.44 H new ATOM 879 N LEU A 55 -9.757 8.651 1.935 1.00 5.24 N ATOM 880 CA LEU A 55 -10.857 7.831 2.377 1.00 52.05 C ATOM 881 C LEU A 55 -10.704 7.550 3.886 1.00 65.25 C ATOM 882 O LEU A 55 -9.593 7.261 4.354 1.00 23.53 O ATOM 883 CB LEU A 55 -10.795 6.520 1.598 1.00 40.33 C ATOM 884 CG LEU A 55 -12.091 5.782 1.346 1.00 43.14 C ATOM 885 CD1 LEU A 55 -11.860 4.530 0.551 1.00 61.22 C ATOM 886 CD2 LEU A 55 -12.864 5.482 2.593 1.00 62.43 C ATOM 0 H LEU A 55 -9.136 8.186 1.272 1.00 5.24 H new ATOM 0 HA LEU A 55 -11.811 8.330 2.207 1.00 52.05 H new ATOM 0 HB2 LEU A 55 -10.335 6.727 0.632 1.00 40.33 H new ATOM 0 HB3 LEU A 55 -10.125 5.846 2.132 1.00 40.33 H new ATOM 0 HG LEU A 55 -12.708 6.464 0.760 1.00 43.14 H new ATOM 0 HD11 LEU A 55 -12.811 4.023 0.387 1.00 61.22 H new ATOM 0 HD12 LEU A 55 -11.415 4.786 -0.410 1.00 61.22 H new ATOM 0 HD13 LEU A 55 -11.187 3.870 1.098 1.00 61.22 H new ATOM 0 HD21 LEU A 55 -13.781 4.952 2.334 1.00 62.43 H new ATOM 0 HD22 LEU A 55 -12.260 4.861 3.255 1.00 62.43 H new ATOM 0 HD23 LEU A 55 -13.115 6.414 3.099 1.00 62.43 H new ATOM 898 N LYS A 56 -11.822 7.619 4.626 1.00 1.43 N ATOM 899 CA LYS A 56 -11.841 7.386 6.072 1.00 62.22 C ATOM 900 C LYS A 56 -11.086 6.119 6.496 1.00 62.32 C ATOM 901 O LYS A 56 -10.169 6.198 7.297 1.00 21.20 O ATOM 902 CB LYS A 56 -13.252 7.263 6.601 1.00 2.42 C ATOM 903 CG LYS A 56 -13.241 7.106 8.108 1.00 4.51 C ATOM 904 CD LYS A 56 -14.567 6.725 8.679 1.00 61.45 C ATOM 905 CE LYS A 56 -15.036 5.363 8.163 1.00 43.22 C ATOM 906 NZ LYS A 56 -16.260 4.908 8.842 1.00 54.33 N ATOM 0 H LYS A 56 -12.738 7.839 4.234 1.00 1.43 H new ATOM 0 HA LYS A 56 -11.341 8.258 6.493 1.00 62.22 H new ATOM 0 HB2 LYS A 56 -13.828 8.146 6.326 1.00 2.42 H new ATOM 0 HB3 LYS A 56 -13.745 6.405 6.144 1.00 2.42 H new ATOM 0 HG2 LYS A 56 -12.506 6.348 8.381 1.00 4.51 H new ATOM 0 HG3 LYS A 56 -12.916 8.043 8.560 1.00 4.51 H new ATOM 0 HD2 LYS A 56 -14.501 6.699 9.767 1.00 61.45 H new ATOM 0 HD3 LYS A 56 -15.305 7.485 8.423 1.00 61.45 H new ATOM 0 HE2 LYS A 56 -15.218 5.425 7.090 1.00 43.22 H new ATOM 0 HE3 LYS A 56 -14.245 4.628 8.310 1.00 43.22 H new ATOM 0 HZ1 LYS A 56 -16.543 3.982 8.463 1.00 54.33 H new ATOM 0 HZ2 LYS A 56 -16.080 4.824 9.863 1.00 54.33 H new ATOM 0 HZ3 LYS A 56 -17.023 5.596 8.681 1.00 54.33 H new ATOM 920 N TRP A 57 -11.469 4.951 5.968 1.00 41.32 N ATOM 921 CA TRP A 57 -10.829 3.725 6.424 1.00 11.52 C ATOM 922 C TRP A 57 -9.387 3.647 5.992 1.00 31.04 C ATOM 923 O TRP A 57 -8.602 3.002 6.635 1.00 14.34 O ATOM 924 CB TRP A 57 -11.605 2.432 6.114 1.00 13.50 C ATOM 925 CG TRP A 57 -11.761 2.085 4.671 1.00 3.10 C ATOM 926 CD1 TRP A 57 -12.816 2.370 3.878 1.00 34.24 C ATOM 927 CD2 TRP A 57 -10.838 1.339 3.860 1.00 75.43 C ATOM 928 NE1 TRP A 57 -12.611 1.863 2.625 1.00 52.44 N ATOM 929 CE2 TRP A 57 -11.403 1.226 2.589 1.00 70.05 C ATOM 930 CE3 TRP A 57 -9.587 0.764 4.093 1.00 35.42 C ATOM 931 CZ2 TRP A 57 -10.765 0.560 1.550 1.00 62.03 C ATOM 932 CZ3 TRP A 57 -8.961 0.102 3.061 1.00 33.53 C ATOM 933 CH2 TRP A 57 -9.553 0.007 1.804 1.00 23.31 C ATOM 0 H TRP A 57 -12.189 4.834 5.255 1.00 41.32 H new ATOM 0 HA TRP A 57 -10.847 3.793 7.512 1.00 11.52 H new ATOM 0 HB2 TRP A 57 -11.102 1.603 6.613 1.00 13.50 H new ATOM 0 HB3 TRP A 57 -12.598 2.515 6.555 1.00 13.50 H new ATOM 0 HD1 TRP A 57 -13.693 2.918 4.188 1.00 34.24 H new ATOM 0 HE1 TRP A 57 -13.258 1.947 1.841 1.00 52.44 H new ATOM 0 HE3 TRP A 57 -9.120 0.837 5.064 1.00 35.42 H new ATOM 0 HZ2 TRP A 57 -11.219 0.485 0.573 1.00 62.03 H new ATOM 0 HZ3 TRP A 57 -7.995 -0.351 3.229 1.00 33.53 H new ATOM 0 HH2 TRP A 57 -9.036 -0.518 1.015 1.00 23.31 H new ATOM 944 N ILE A 58 -9.050 4.313 4.886 1.00 43.15 N ATOM 945 CA ILE A 58 -7.659 4.399 4.442 1.00 60.32 C ATOM 946 C ILE A 58 -6.845 5.124 5.493 1.00 51.22 C ATOM 947 O ILE A 58 -5.719 4.720 5.810 1.00 14.24 O ATOM 948 CB ILE A 58 -7.527 5.121 3.071 1.00 2.54 C ATOM 949 CG1 ILE A 58 -8.161 4.282 1.961 1.00 43.11 C ATOM 950 CG2 ILE A 58 -6.069 5.440 2.737 1.00 42.15 C ATOM 951 CD1 ILE A 58 -7.468 2.965 1.722 1.00 30.22 C ATOM 0 H ILE A 58 -9.717 4.798 4.285 1.00 43.15 H new ATOM 0 HA ILE A 58 -7.282 3.385 4.309 1.00 60.32 H new ATOM 0 HB ILE A 58 -8.061 6.068 3.145 1.00 2.54 H new ATOM 0 HG12 ILE A 58 -9.204 4.092 2.213 1.00 43.11 H new ATOM 0 HG13 ILE A 58 -8.156 4.858 1.035 1.00 43.11 H new ATOM 0 HG21 ILE A 58 -6.019 5.944 1.772 1.00 42.15 H new ATOM 0 HG22 ILE A 58 -5.653 6.089 3.507 1.00 42.15 H new ATOM 0 HG23 ILE A 58 -5.495 4.515 2.693 1.00 42.15 H new ATOM 0 HD11 ILE A 58 -7.975 2.427 0.921 1.00 30.22 H new ATOM 0 HD12 ILE A 58 -6.431 3.146 1.438 1.00 30.22 H new ATOM 0 HD13 ILE A 58 -7.496 2.368 2.634 1.00 30.22 H new ATOM 963 N GLN A 59 -7.439 6.169 6.057 1.00 75.15 N ATOM 964 CA GLN A 59 -6.817 6.927 7.118 1.00 64.31 C ATOM 965 C GLN A 59 -6.486 6.002 8.277 1.00 54.41 C ATOM 966 O GLN A 59 -5.347 5.936 8.736 1.00 64.00 O ATOM 967 CB GLN A 59 -7.756 8.030 7.630 1.00 14.22 C ATOM 968 CG GLN A 59 -8.173 9.069 6.606 1.00 3.33 C ATOM 969 CD GLN A 59 -7.019 9.899 6.093 1.00 4.45 C ATOM 970 OE1 GLN A 59 -6.433 9.486 5.013 1.00 2.15 O flip ATOM 971 NE2 GLN A 59 -6.689 10.933 6.666 1.00 22.22 N flip ATOM 0 H GLN A 59 -8.362 6.508 5.788 1.00 75.15 H new ATOM 0 HA GLN A 59 -5.911 7.384 6.720 1.00 64.31 H new ATOM 0 HB2 GLN A 59 -8.655 7.560 8.029 1.00 14.22 H new ATOM 0 HB3 GLN A 59 -7.268 8.541 8.460 1.00 14.22 H new ATOM 0 HG2 GLN A 59 -8.653 8.568 5.765 1.00 3.33 H new ATOM 0 HG3 GLN A 59 -8.917 9.730 7.051 1.00 3.33 H new ATOM 0 HE21 GLN A 59 -7.176 11.224 7.514 1.00 22.22 H new ATOM 0 HE22 GLN A 59 -5.928 11.502 6.294 1.00 22.22 H new ATOM 980 N GLU A 60 -7.483 5.252 8.692 1.00 51.05 N ATOM 981 CA GLU A 60 -7.371 4.354 9.813 1.00 32.34 C ATOM 982 C GLU A 60 -6.407 3.193 9.469 1.00 65.13 C ATOM 983 O GLU A 60 -5.627 2.727 10.307 1.00 22.34 O ATOM 984 CB GLU A 60 -8.771 3.823 10.159 1.00 73.42 C ATOM 985 CG GLU A 60 -9.817 4.903 10.277 1.00 35.51 C ATOM 986 CD GLU A 60 -11.164 4.408 10.762 1.00 44.22 C ATOM 987 OE1 GLU A 60 -11.694 3.436 10.195 1.00 42.03 O ATOM 988 OE2 GLU A 60 -11.699 4.970 11.752 1.00 21.52 O ATOM 0 H GLU A 60 -8.404 5.251 8.253 1.00 51.05 H new ATOM 0 HA GLU A 60 -6.964 4.880 10.676 1.00 32.34 H new ATOM 0 HB2 GLU A 60 -9.080 3.112 9.392 1.00 73.42 H new ATOM 0 HB3 GLU A 60 -8.720 3.275 11.100 1.00 73.42 H new ATOM 0 HG2 GLU A 60 -9.456 5.671 10.961 1.00 35.51 H new ATOM 0 HG3 GLU A 60 -9.945 5.378 9.304 1.00 35.51 H new ATOM 995 N TYR A 61 -6.458 2.768 8.216 1.00 53.10 N ATOM 996 CA TYR A 61 -5.660 1.672 7.686 1.00 20.14 C ATOM 997 C TYR A 61 -4.173 2.002 7.809 1.00 55.02 C ATOM 998 O TYR A 61 -3.392 1.215 8.383 1.00 13.25 O ATOM 999 CB TYR A 61 -6.013 1.478 6.201 1.00 32.02 C ATOM 1000 CG TYR A 61 -5.547 0.187 5.570 1.00 32.43 C ATOM 1001 CD1 TYR A 61 -4.209 -0.055 5.277 1.00 71.33 C ATOM 1002 CD2 TYR A 61 -6.468 -0.785 5.248 1.00 4.23 C ATOM 1003 CE1 TYR A 61 -3.816 -1.241 4.689 1.00 20.43 C ATOM 1004 CE2 TYR A 61 -6.092 -1.962 4.664 1.00 72.10 C ATOM 1005 CZ TYR A 61 -4.762 -2.194 4.386 1.00 10.15 C ATOM 1006 OH TYR A 61 -4.380 -3.389 3.802 1.00 70.22 O ATOM 0 H TYR A 61 -7.073 3.188 7.519 1.00 53.10 H new ATOM 0 HA TYR A 61 -5.871 0.762 8.248 1.00 20.14 H new ATOM 0 HB2 TYR A 61 -7.096 1.540 6.095 1.00 32.02 H new ATOM 0 HB3 TYR A 61 -5.589 2.308 5.636 1.00 32.02 H new ATOM 0 HD1 TYR A 61 -3.468 0.694 5.512 1.00 71.33 H new ATOM 0 HD2 TYR A 61 -7.512 -0.613 5.462 1.00 4.23 H new ATOM 0 HE1 TYR A 61 -2.774 -1.420 4.468 1.00 20.43 H new ATOM 0 HE2 TYR A 61 -6.834 -2.708 4.421 1.00 72.10 H new ATOM 0 HH TYR A 61 -5.171 -3.949 3.656 1.00 70.22 H new ATOM 1016 N LEU A 62 -3.794 3.158 7.269 1.00 61.31 N ATOM 1017 CA LEU A 62 -2.405 3.621 7.279 1.00 41.33 C ATOM 1018 C LEU A 62 -1.950 3.886 8.696 1.00 34.12 C ATOM 1019 O LEU A 62 -0.897 3.406 9.119 1.00 54.01 O ATOM 1020 CB LEU A 62 -2.260 4.913 6.465 1.00 42.42 C ATOM 1021 CG LEU A 62 -2.699 4.858 5.000 1.00 31.41 C ATOM 1022 CD1 LEU A 62 -2.529 6.220 4.344 1.00 42.53 C ATOM 1023 CD2 LEU A 62 -1.928 3.797 4.230 1.00 62.30 C ATOM 0 H LEU A 62 -4.440 3.802 6.812 1.00 61.31 H new ATOM 0 HA LEU A 62 -1.789 2.840 6.834 1.00 41.33 H new ATOM 0 HB2 LEU A 62 -2.834 5.694 6.963 1.00 42.42 H new ATOM 0 HB3 LEU A 62 -1.214 5.218 6.495 1.00 42.42 H new ATOM 0 HG LEU A 62 -3.754 4.586 4.977 1.00 31.41 H new ATOM 0 HD11 LEU A 62 -2.845 6.164 3.302 1.00 42.53 H new ATOM 0 HD12 LEU A 62 -3.138 6.956 4.869 1.00 42.53 H new ATOM 0 HD13 LEU A 62 -1.481 6.518 4.389 1.00 42.53 H new ATOM 0 HD21 LEU A 62 -2.264 3.784 3.193 1.00 62.30 H new ATOM 0 HD22 LEU A 62 -0.863 4.025 4.264 1.00 62.30 H new ATOM 0 HD23 LEU A 62 -2.104 2.820 4.681 1.00 62.30 H new ATOM 1035 N GLU A 63 -2.773 4.634 9.424 1.00 43.53 N ATOM 1036 CA GLU A 63 -2.506 5.040 10.784 1.00 3.21 C ATOM 1037 C GLU A 63 -2.170 3.831 11.669 1.00 11.41 C ATOM 1038 O GLU A 63 -1.170 3.851 12.393 1.00 63.13 O ATOM 1039 CB GLU A 63 -3.748 5.804 11.280 1.00 45.30 C ATOM 1040 CG GLU A 63 -3.640 6.555 12.592 1.00 40.24 C ATOM 1041 CD GLU A 63 -3.576 5.690 13.839 1.00 44.44 C ATOM 1042 OE1 GLU A 63 -4.620 5.151 14.259 1.00 14.01 O ATOM 1043 OE2 GLU A 63 -2.481 5.563 14.426 1.00 1.42 O ATOM 0 H GLU A 63 -3.664 4.979 9.068 1.00 43.53 H new ATOM 0 HA GLU A 63 -1.631 5.688 10.833 1.00 3.21 H new ATOM 0 HB2 GLU A 63 -4.032 6.519 10.508 1.00 45.30 H new ATOM 0 HB3 GLU A 63 -4.567 5.090 11.370 1.00 45.30 H new ATOM 0 HG2 GLU A 63 -2.748 7.181 12.560 1.00 40.24 H new ATOM 0 HG3 GLU A 63 -4.496 7.224 12.679 1.00 40.24 H new ATOM 1050 N LYS A 64 -2.959 2.768 11.585 1.00 22.20 N ATOM 1051 CA LYS A 64 -2.712 1.618 12.432 1.00 2.22 C ATOM 1052 C LYS A 64 -1.481 0.822 11.970 1.00 63.11 C ATOM 1053 O LYS A 64 -0.731 0.334 12.779 1.00 4.04 O ATOM 1054 CB LYS A 64 -3.981 0.728 12.591 1.00 11.23 C ATOM 1055 CG LYS A 64 -4.427 -0.095 11.399 1.00 33.34 C ATOM 1056 CD LYS A 64 -3.618 -1.369 11.259 1.00 45.30 C ATOM 1057 CE LYS A 64 -4.213 -2.244 10.227 1.00 33.33 C ATOM 1058 NZ LYS A 64 -4.175 -1.647 8.876 1.00 63.34 N ATOM 0 H LYS A 64 -3.756 2.681 10.954 1.00 22.20 H new ATOM 0 HA LYS A 64 -2.478 1.994 13.428 1.00 2.22 H new ATOM 0 HB2 LYS A 64 -3.808 0.045 13.422 1.00 11.23 H new ATOM 0 HB3 LYS A 64 -4.809 1.376 12.878 1.00 11.23 H new ATOM 0 HG2 LYS A 64 -5.483 -0.345 11.505 1.00 33.34 H new ATOM 0 HG3 LYS A 64 -4.329 0.499 10.490 1.00 33.34 H new ATOM 0 HD2 LYS A 64 -2.589 -1.127 10.991 1.00 45.30 H new ATOM 0 HD3 LYS A 64 -3.584 -1.893 12.214 1.00 45.30 H new ATOM 0 HE2 LYS A 64 -3.681 -3.195 10.214 1.00 33.33 H new ATOM 0 HE3 LYS A 64 -5.247 -2.461 10.494 1.00 33.33 H new ATOM 0 HZ1 LYS A 64 -5.145 -1.456 8.554 1.00 63.34 H new ATOM 0 HZ2 LYS A 64 -3.638 -0.757 8.905 1.00 63.34 H new ATOM 0 HZ3 LYS A 64 -3.715 -2.308 8.217 1.00 63.34 H new ATOM 1072 N CYS A 65 -1.265 0.750 10.659 1.00 1.34 N ATOM 1073 CA CYS A 65 -0.153 -0.040 10.073 1.00 44.50 C ATOM 1074 C CYS A 65 1.219 0.530 10.470 1.00 2.50 C ATOM 1075 O CYS A 65 2.229 -0.143 10.363 1.00 24.33 O ATOM 1076 CB CYS A 65 -0.306 -0.110 8.526 1.00 20.24 C ATOM 1077 SG CYS A 65 0.996 -1.045 7.625 1.00 41.02 S ATOM 0 H CYS A 65 -1.842 1.228 9.967 1.00 1.34 H new ATOM 0 HA CYS A 65 -0.206 -1.052 10.475 1.00 44.50 H new ATOM 0 HB2 CYS A 65 -1.272 -0.560 8.297 1.00 20.24 H new ATOM 0 HB3 CYS A 65 -0.328 0.908 8.137 1.00 20.24 H new ATOM 1082 N LEU A 66 1.217 1.759 10.973 1.00 53.20 N ATOM 1083 CA LEU A 66 2.411 2.462 11.353 1.00 35.03 C ATOM 1084 C LEU A 66 3.063 1.764 12.599 1.00 21.25 C ATOM 1085 O LEU A 66 4.288 1.798 12.773 1.00 30.23 O ATOM 1086 CB LEU A 66 2.000 3.943 11.648 1.00 75.22 C ATOM 1087 CG LEU A 66 3.066 5.065 11.541 1.00 43.13 C ATOM 1088 CD1 LEU A 66 4.179 4.905 12.526 1.00 24.01 C ATOM 1089 CD2 LEU A 66 3.616 5.125 10.140 1.00 64.32 C ATOM 0 H LEU A 66 0.363 2.295 11.126 1.00 53.20 H new ATOM 0 HA LEU A 66 3.160 2.448 10.561 1.00 35.03 H new ATOM 0 HB2 LEU A 66 1.187 4.198 10.968 1.00 75.22 H new ATOM 0 HB3 LEU A 66 1.592 3.974 12.658 1.00 75.22 H new ATOM 0 HG LEU A 66 2.565 6.003 11.781 1.00 43.13 H new ATOM 0 HD11 LEU A 66 4.893 5.719 12.403 1.00 24.01 H new ATOM 0 HD12 LEU A 66 3.775 4.926 13.538 1.00 24.01 H new ATOM 0 HD13 LEU A 66 4.681 3.953 12.356 1.00 24.01 H new ATOM 0 HD21 LEU A 66 4.363 5.916 10.076 1.00 64.32 H new ATOM 0 HD22 LEU A 66 4.076 4.170 9.889 1.00 64.32 H new ATOM 0 HD23 LEU A 66 2.807 5.333 9.440 1.00 64.32 H new ATOM 1101 N ASN A 67 2.231 1.108 13.443 1.00 43.21 N ATOM 1102 CA ASN A 67 2.731 0.435 14.657 1.00 11.54 C ATOM 1103 C ASN A 67 1.786 -0.632 15.192 1.00 21.01 C ATOM 1104 O ASN A 67 2.214 -1.747 15.544 1.00 21.34 O ATOM 1105 CB ASN A 67 2.973 1.426 15.748 1.00 13.12 C ATOM 1106 CG ASN A 67 3.700 0.758 16.865 1.00 41.54 C ATOM 1107 OD1 ASN A 67 4.509 -0.162 16.664 1.00 14.43 O ATOM 1108 ND2 ASN A 67 3.435 1.153 18.002 1.00 53.33 N ATOM 0 H ASN A 67 1.223 1.033 13.305 1.00 43.21 H new ATOM 0 HA ASN A 67 3.658 -0.052 14.356 1.00 11.54 H new ATOM 0 HB2 ASN A 67 3.556 2.266 15.370 1.00 13.12 H new ATOM 0 HB3 ASN A 67 2.026 1.830 16.105 1.00 13.12 H new ATOM 0 HD21 ASN A 67 3.885 0.722 18.809 1.00 53.33 H new ATOM 0 HD22 ASN A 67 2.766 1.911 18.135 1.00 53.33 H new ATOM 1404 N GLY B 119 -15.531 7.188 -11.194 1.00 40.10 N ATOM 1405 CA GLY B 119 -16.390 7.293 -10.028 1.00 60.53 C ATOM 1406 C GLY B 119 -17.349 6.129 -9.975 1.00 64.33 C ATOM 1407 O GLY B 119 -17.983 5.805 -10.982 1.00 44.12 O ATOM 0 HA2 GLY B 119 -15.784 7.314 -9.122 1.00 60.53 H new ATOM 0 HA3 GLY B 119 -16.946 8.230 -10.061 1.00 60.53 H new ATOM 1411 N ASP B 120 -17.455 5.489 -8.836 1.00 51.25 N ATOM 1412 CA ASP B 120 -18.257 4.283 -8.758 1.00 50.15 C ATOM 1413 C ASP B 120 -19.236 4.353 -7.609 1.00 41.51 C ATOM 1414 O ASP B 120 -20.454 4.382 -7.805 1.00 63.43 O ATOM 1415 CB ASP B 120 -17.331 3.087 -8.578 1.00 15.41 C ATOM 1416 CG ASP B 120 -18.042 1.733 -8.732 1.00 62.42 C ATOM 1417 OD1 ASP B 120 -18.600 1.228 -7.759 1.00 33.43 O ATOM 1418 OD2 ASP B 120 -18.032 1.163 -9.860 1.00 15.21 O ATOM 0 H ASP B 120 -17.008 5.772 -7.964 1.00 51.25 H new ATOM 0 HA ASP B 120 -18.830 4.180 -9.679 1.00 50.15 H new ATOM 0 HB2 ASP B 120 -16.524 3.150 -9.308 1.00 15.41 H new ATOM 0 HB3 ASP B 120 -16.873 3.138 -7.590 1.00 15.41 H new ATOM 1447 N ASP B 122 -18.704 6.649 -4.756 1.00 32.01 N ATOM 1448 CA ASP B 122 -18.757 8.032 -4.265 1.00 2.11 C ATOM 1449 C ASP B 122 -17.742 8.832 -5.011 1.00 61.20 C ATOM 1450 O ASP B 122 -18.065 9.750 -5.767 1.00 40.25 O ATOM 1451 CB ASP B 122 -18.368 8.030 -2.814 1.00 4.50 C ATOM 1452 CG ASP B 122 -18.531 9.361 -2.135 1.00 2.25 C ATOM 1453 OD1 ASP B 122 -17.736 10.291 -2.407 1.00 55.42 O ATOM 1454 OD2 ASP B 122 -19.460 9.488 -1.309 1.00 42.21 O ATOM 0 HA ASP B 122 -19.755 8.449 -4.400 1.00 2.11 H new ATOM 0 HB2 ASP B 122 -18.970 7.289 -2.288 1.00 4.50 H new ATOM 0 HB3 ASP B 122 -17.328 7.715 -2.728 1.00 4.50 H new ATOM 1459 N SER B 123 -16.514 8.473 -4.764 1.00 60.42 N ATOM 1460 CA SER B 123 -15.391 8.935 -5.483 1.00 22.45 C ATOM 1461 C SER B 123 -14.973 10.459 -5.331 1.00 75.00 C ATOM 1462 O SER B 123 -14.029 10.894 -6.003 1.00 65.00 O ATOM 1463 CB SER B 123 -15.541 8.404 -6.923 1.00 3.32 C ATOM 1464 OG SER B 123 -14.541 8.858 -7.817 1.00 14.15 O ATOM 0 H SER B 123 -16.272 7.820 -4.019 1.00 60.42 H new ATOM 0 HA SER B 123 -14.496 8.525 -5.016 1.00 22.45 H new ATOM 0 HB2 SER B 123 -15.524 7.314 -6.900 1.00 3.32 H new ATOM 0 HB3 SER B 123 -16.517 8.700 -7.307 1.00 3.32 H new ATOM 0 HG SER B 123 -13.656 8.684 -7.434 1.00 14.15 H new ATOM 1470 N MET B 124 -15.603 11.250 -4.421 1.00 53.40 N ATOM 1471 CA MET B 124 -15.157 12.679 -4.225 1.00 62.02 C ATOM 1472 C MET B 124 -15.449 13.236 -2.826 1.00 0.23 C ATOM 1473 O MET B 124 -16.459 13.923 -2.642 1.00 22.43 O ATOM 1474 CB MET B 124 -15.734 13.681 -5.275 1.00 41.13 C ATOM 1475 CG MET B 124 -15.275 13.500 -6.710 1.00 71.11 C ATOM 1476 SD MET B 124 -15.934 14.770 -7.819 1.00 15.41 S ATOM 1477 CE MET B 124 -15.192 16.255 -7.132 1.00 11.42 C ATOM 0 H MET B 124 -16.383 10.954 -3.833 1.00 53.40 H new ATOM 0 HA MET B 124 -14.078 12.606 -4.364 1.00 62.02 H new ATOM 0 HB2 MET B 124 -16.821 13.609 -5.253 1.00 41.13 H new ATOM 0 HB3 MET B 124 -15.475 14.692 -4.959 1.00 41.13 H new ATOM 0 HG2 MET B 124 -14.186 13.523 -6.744 1.00 71.11 H new ATOM 0 HG3 MET B 124 -15.585 12.517 -7.065 1.00 71.11 H new ATOM 0 HE1 MET B 124 -15.153 17.030 -7.897 1.00 11.42 H new ATOM 0 HE2 MET B 124 -15.790 16.605 -6.291 1.00 11.42 H new ATOM 0 HE3 MET B 124 -14.181 16.032 -6.790 1.00 11.42 H new ATOM 1487 N LYS B 125 -14.585 12.928 -1.842 1.00 11.33 N ATOM 1488 CA LYS B 125 -14.704 13.437 -0.464 1.00 35.44 C ATOM 1489 C LYS B 125 -13.336 13.554 0.212 1.00 33.32 C ATOM 1490 O LYS B 125 -12.315 13.284 -0.406 1.00 12.25 O ATOM 1491 CB LYS B 125 -15.646 12.562 0.358 1.00 34.52 C ATOM 1492 CG LYS B 125 -17.087 12.766 0.006 1.00 20.00 C ATOM 1493 CD LYS B 125 -17.982 11.795 0.674 1.00 30.00 C ATOM 1494 CE LYS B 125 -19.401 12.093 0.287 1.00 23.32 C ATOM 1495 NZ LYS B 125 -20.339 11.084 0.770 1.00 73.32 N ATOM 0 H LYS B 125 -13.781 12.316 -1.981 1.00 11.33 H new ATOM 0 HA LYS B 125 -15.129 14.439 -0.518 1.00 35.44 H new ATOM 0 HB2 LYS B 125 -15.385 11.515 0.207 1.00 34.52 H new ATOM 0 HB3 LYS B 125 -15.502 12.777 1.417 1.00 34.52 H new ATOM 0 HG2 LYS B 125 -17.384 13.778 0.282 1.00 20.00 H new ATOM 0 HG3 LYS B 125 -17.208 12.682 -1.074 1.00 20.00 H new ATOM 0 HD2 LYS B 125 -17.718 10.778 0.384 1.00 30.00 H new ATOM 0 HD3 LYS B 125 -17.866 11.858 1.756 1.00 30.00 H new ATOM 0 HE2 LYS B 125 -19.685 13.067 0.684 1.00 23.32 H new ATOM 0 HE3 LYS B 125 -19.471 12.159 -0.799 1.00 23.32 H new ATOM 0 HZ1 LYS B 125 -21.306 11.465 0.736 1.00 73.32 H new ATOM 0 HZ2 LYS B 125 -20.279 10.238 0.169 1.00 73.32 H new ATOM 0 HZ3 LYS B 125 -20.101 10.830 1.750 1.00 73.32 H new ATOM 1509 N GLU B 126 -13.324 13.961 1.467 1.00 41.33 N ATOM 1510 CA GLU B 126 -12.102 14.150 2.223 1.00 64.14 C ATOM 1511 C GLU B 126 -12.237 13.432 3.582 1.00 10.40 C ATOM 1512 O GLU B 126 -13.354 13.046 3.953 1.00 60.32 O ATOM 1513 CB GLU B 126 -11.807 15.661 2.374 1.00 23.24 C ATOM 1514 CG GLU B 126 -12.901 16.475 3.045 1.00 72.14 C ATOM 1515 CD GLU B 126 -12.519 17.932 3.169 1.00 14.02 C ATOM 1516 OE1 GLU B 126 -12.703 18.694 2.202 1.00 12.45 O ATOM 1517 OE2 GLU B 126 -12.009 18.337 4.235 1.00 72.32 O ATOM 0 H GLU B 126 -14.171 14.172 1.995 1.00 41.33 H new ATOM 0 HA GLU B 126 -11.252 13.713 1.699 1.00 64.14 H new ATOM 0 HB2 GLU B 126 -10.887 15.779 2.947 1.00 23.24 H new ATOM 0 HB3 GLU B 126 -11.622 16.078 1.384 1.00 23.24 H new ATOM 0 HG2 GLU B 126 -13.823 16.388 2.470 1.00 72.14 H new ATOM 0 HG3 GLU B 126 -13.103 16.066 4.035 1.00 72.14 H new ATOM 1524 N PRO B 127 -11.131 13.233 4.354 1.00 54.12 N ATOM 1525 CA PRO B 127 -11.191 12.481 5.594 1.00 3.31 C ATOM 1526 C PRO B 127 -11.709 13.312 6.745 1.00 43.01 C ATOM 1527 O PRO B 127 -11.863 14.525 6.644 1.00 74.34 O ATOM 1528 CB PRO B 127 -9.724 12.126 5.846 1.00 23.33 C ATOM 1529 CG PRO B 127 -8.988 13.290 5.317 1.00 41.12 C ATOM 1530 CD PRO B 127 -9.749 13.725 4.102 1.00 72.44 C ATOM 0 HA PRO B 127 -11.863 11.626 5.520 1.00 3.31 H new ATOM 0 HB2 PRO B 127 -9.525 11.975 6.907 1.00 23.33 H new ATOM 0 HB3 PRO B 127 -9.441 11.206 5.334 1.00 23.33 H new ATOM 0 HG2 PRO B 127 -8.936 14.090 6.055 1.00 41.12 H new ATOM 0 HG3 PRO B 127 -7.962 13.024 5.063 1.00 41.12 H new ATOM 0 HD2 PRO B 127 -9.726 14.808 3.982 1.00 72.44 H new ATOM 0 HD3 PRO B 127 -9.331 13.294 3.192 1.00 72.44 H new ATOM 1855 N CYS C 209 0.044 -15.376 5.517 1.00 32.05 N ATOM 1856 CA CYS C 209 0.417 -14.074 5.005 1.00 21.23 C ATOM 1857 C CYS C 209 1.040 -14.283 3.628 1.00 72.13 C ATOM 1858 O CYS C 209 1.547 -15.376 3.363 1.00 20.22 O ATOM 1859 CB CYS C 209 1.443 -13.431 5.947 1.00 44.52 C ATOM 1860 SG CYS C 209 0.906 -13.370 7.676 1.00 54.52 S ATOM 0 HA CYS C 209 -0.452 -13.420 4.936 1.00 21.23 H new ATOM 0 HB2 CYS C 209 2.378 -13.988 5.886 1.00 44.52 H new ATOM 0 HB3 CYS C 209 1.652 -12.417 5.605 1.00 44.52 H new ATOM 1865 N PRO C 210 0.979 -13.283 2.707 1.00 32.11 N ATOM 1866 CA PRO C 210 1.616 -13.401 1.393 1.00 53.35 C ATOM 1867 C PRO C 210 3.114 -13.650 1.559 1.00 24.02 C ATOM 1868 O PRO C 210 3.637 -14.689 1.145 1.00 12.54 O ATOM 1869 CB PRO C 210 1.352 -12.037 0.726 1.00 35.12 C ATOM 1870 CG PRO C 210 0.946 -11.130 1.840 1.00 51.33 C ATOM 1871 CD PRO C 210 0.283 -11.998 2.862 1.00 12.44 C ATOM 0 HA PRO C 210 1.229 -14.230 0.801 1.00 53.35 H new ATOM 0 HB2 PRO C 210 2.244 -11.666 0.221 1.00 35.12 H new ATOM 0 HB3 PRO C 210 0.567 -12.112 -0.027 1.00 35.12 H new ATOM 0 HG2 PRO C 210 1.812 -10.621 2.264 1.00 51.33 H new ATOM 0 HG3 PRO C 210 0.265 -10.357 1.484 1.00 51.33 H new ATOM 0 HD2 PRO C 210 0.398 -11.596 3.869 1.00 12.44 H new ATOM 0 HD3 PRO C 210 -0.787 -12.094 2.677 1.00 12.44 H new ATOM 1879 N CYS C 211 3.779 -12.701 2.171 1.00 60.53 N ATOM 1880 CA CYS C 211 5.165 -12.820 2.509 1.00 54.44 C ATOM 1881 C CYS C 211 5.265 -13.207 3.970 1.00 11.23 C ATOM 1882 O CYS C 211 4.547 -12.660 4.807 1.00 23.32 O ATOM 1883 CB CYS C 211 5.870 -11.495 2.279 1.00 22.45 C ATOM 1884 SG CYS C 211 5.708 -10.868 0.585 1.00 64.25 S ATOM 0 H CYS C 211 3.361 -11.813 2.450 1.00 60.53 H new ATOM 0 HA CYS C 211 5.639 -13.578 1.885 1.00 54.44 H new ATOM 0 HB2 CYS C 211 5.468 -10.755 2.971 1.00 22.45 H new ATOM 0 HB3 CYS C 211 6.928 -11.611 2.515 1.00 22.45 H new ATOM 1889 N ARG C 212 6.107 -14.156 4.277 1.00 60.24 N ATOM 1890 CA ARG C 212 6.288 -14.560 5.660 1.00 72.14 C ATOM 1891 C ARG C 212 7.506 -13.851 6.260 1.00 41.34 C ATOM 1892 O ARG C 212 7.630 -13.714 7.479 1.00 62.11 O ATOM 1893 CB ARG C 212 6.458 -16.079 5.757 1.00 24.11 C ATOM 1894 CG ARG C 212 6.609 -16.586 7.180 1.00 3.51 C ATOM 1895 CD ARG C 212 6.829 -18.073 7.220 1.00 12.31 C ATOM 1896 NE ARG C 212 7.020 -18.547 8.589 1.00 22.12 N ATOM 1897 CZ ARG C 212 7.567 -19.714 8.923 1.00 64.41 C ATOM 1898 NH1 ARG C 212 7.906 -20.590 7.987 1.00 71.24 N ATOM 1899 NH2 ARG C 212 7.754 -20.013 10.200 1.00 14.34 N ATOM 0 H ARG C 212 6.677 -14.665 3.601 1.00 60.24 H new ATOM 0 HA ARG C 212 5.400 -14.275 6.225 1.00 72.14 H new ATOM 0 HB2 ARG C 212 5.596 -16.562 5.298 1.00 24.11 H new ATOM 0 HB3 ARG C 212 7.334 -16.375 5.180 1.00 24.11 H new ATOM 0 HG2 ARG C 212 7.448 -16.081 7.659 1.00 3.51 H new ATOM 0 HG3 ARG C 212 5.716 -16.335 7.753 1.00 3.51 H new ATOM 0 HD2 ARG C 212 5.974 -18.581 6.773 1.00 12.31 H new ATOM 0 HD3 ARG C 212 7.702 -18.330 6.619 1.00 12.31 H new ATOM 0 HE ARG C 212 6.711 -17.938 9.346 1.00 22.12 H new ATOM 0 HH11 ARG C 212 7.748 -20.372 7.003 1.00 71.24 H new ATOM 0 HH12 ARG C 212 8.325 -21.482 8.251 1.00 71.24 H new ATOM 0 HH21 ARG C 212 7.479 -19.350 10.925 1.00 14.34 H new ATOM 0 HH22 ARG C 212 8.173 -20.906 10.459 1.00 14.34 H new ATOM 1913 N PHE C 213 8.386 -13.397 5.400 1.00 12.42 N ATOM 1914 CA PHE C 213 9.601 -12.738 5.822 1.00 21.30 C ATOM 1915 C PHE C 213 9.613 -11.333 5.278 1.00 32.35 C ATOM 1916 O PHE C 213 9.077 -11.090 4.188 1.00 13.52 O ATOM 1917 CB PHE C 213 10.839 -13.515 5.334 1.00 52.45 C ATOM 1918 CG PHE C 213 10.924 -14.920 5.873 1.00 70.25 C ATOM 1919 CD1 PHE C 213 11.574 -15.178 7.067 1.00 23.20 C ATOM 1920 CD2 PHE C 213 10.349 -15.980 5.187 1.00 64.15 C ATOM 1921 CE1 PHE C 213 11.647 -16.463 7.568 1.00 21.45 C ATOM 1922 CE2 PHE C 213 10.419 -17.265 5.686 1.00 61.04 C ATOM 1923 CZ PHE C 213 11.069 -17.507 6.877 1.00 44.12 C ATOM 0 H PHE C 213 8.281 -13.473 4.388 1.00 12.42 H new ATOM 0 HA PHE C 213 9.634 -12.707 6.911 1.00 21.30 H new ATOM 0 HB2 PHE C 213 10.827 -13.553 4.245 1.00 52.45 H new ATOM 0 HB3 PHE C 213 11.737 -12.969 5.624 1.00 52.45 H new ATOM 0 HD1 PHE C 213 12.029 -14.365 7.613 1.00 23.20 H new ATOM 0 HD2 PHE C 213 9.841 -15.798 4.252 1.00 64.15 H new ATOM 0 HE1 PHE C 213 12.157 -16.650 8.501 1.00 21.45 H new ATOM 0 HE2 PHE C 213 9.965 -18.081 5.143 1.00 61.04 H new ATOM 0 HZ PHE C 213 11.126 -18.512 7.268 1.00 44.12 H new ATOM 1933 N PHE C 214 10.202 -10.424 6.011 1.00 30.24 N ATOM 1934 CA PHE C 214 10.247 -9.047 5.594 1.00 35.23 C ATOM 1935 C PHE C 214 11.674 -8.592 5.342 1.00 44.35 C ATOM 1936 O PHE C 214 12.625 -9.108 5.936 1.00 32.13 O ATOM 1937 CB PHE C 214 9.543 -8.110 6.609 1.00 22.44 C ATOM 1938 CG PHE C 214 10.158 -8.067 7.994 1.00 1.34 C ATOM 1939 CD1 PHE C 214 11.207 -7.202 8.278 1.00 74.50 C ATOM 1940 CD2 PHE C 214 9.682 -8.880 9.003 1.00 11.33 C ATOM 1941 CE1 PHE C 214 11.763 -7.155 9.536 1.00 54.15 C ATOM 1942 CE2 PHE C 214 10.238 -8.833 10.270 1.00 41.43 C ATOM 1943 CZ PHE C 214 11.278 -7.970 10.534 1.00 51.25 C ATOM 0 H PHE C 214 10.659 -10.614 6.903 1.00 30.24 H new ATOM 0 HA PHE C 214 9.699 -8.983 4.654 1.00 35.23 H new ATOM 0 HB2 PHE C 214 9.539 -7.099 6.201 1.00 22.44 H new ATOM 0 HB3 PHE C 214 8.502 -8.421 6.702 1.00 22.44 H new ATOM 0 HD1 PHE C 214 11.591 -6.558 7.501 1.00 74.50 H new ATOM 0 HD2 PHE C 214 8.867 -9.560 8.802 1.00 11.33 H new ATOM 0 HE1 PHE C 214 12.580 -6.479 9.740 1.00 54.15 H new ATOM 0 HE2 PHE C 214 9.856 -9.473 11.051 1.00 41.43 H new ATOM 0 HZ PHE C 214 11.712 -7.933 11.522 1.00 51.25 H new ATOM 1953 N GLU C 215 11.803 -7.665 4.451 1.00 54.23 N ATOM 1954 CA GLU C 215 13.025 -7.029 4.126 1.00 55.31 C ATOM 1955 C GLU C 215 13.069 -5.802 4.998 1.00 44.23 C ATOM 1956 O GLU C 215 12.008 -5.283 5.386 1.00 71.01 O ATOM 1957 CB GLU C 215 12.997 -6.587 2.659 1.00 44.42 C ATOM 1958 CG GLU C 215 14.354 -6.230 2.096 1.00 14.51 C ATOM 1959 CD GLU C 215 15.261 -7.436 2.050 1.00 63.22 C ATOM 1960 OE1 GLU C 215 15.760 -7.843 3.099 1.00 33.11 O ATOM 1961 OE2 GLU C 215 15.461 -8.001 0.959 1.00 62.44 O ATOM 0 H GLU C 215 11.015 -7.317 3.905 1.00 54.23 H new ATOM 0 HA GLU C 215 13.882 -7.686 4.275 1.00 55.31 H new ATOM 0 HB2 GLU C 215 12.565 -7.387 2.058 1.00 44.42 H new ATOM 0 HB3 GLU C 215 12.337 -5.725 2.563 1.00 44.42 H new ATOM 0 HG2 GLU C 215 14.238 -5.821 1.092 1.00 14.51 H new ATOM 0 HG3 GLU C 215 14.811 -5.451 2.707 1.00 14.51 H new ATOM 1968 N SER C 216 14.219 -5.322 5.319 1.00 63.40 N ATOM 1969 CA SER C 216 14.261 -4.205 6.188 1.00 12.13 C ATOM 1970 C SER C 216 14.933 -2.973 5.565 1.00 53.24 C ATOM 1971 O SER C 216 14.244 -2.083 5.076 1.00 20.03 O ATOM 1972 CB SER C 216 14.810 -4.606 7.566 1.00 33.24 C ATOM 1973 OG SER C 216 14.896 -3.515 8.459 1.00 62.00 O ATOM 0 H SER C 216 15.121 -5.676 5.001 1.00 63.40 H new ATOM 0 HA SER C 216 13.236 -3.873 6.352 1.00 12.13 H new ATOM 0 HB2 SER C 216 14.168 -5.374 7.998 1.00 33.24 H new ATOM 0 HB3 SER C 216 15.799 -5.048 7.444 1.00 33.24 H new ATOM 0 HG SER C 216 15.705 -2.996 8.265 1.00 62.00 H new ATOM 1979 N HIS C 217 16.243 -2.923 5.513 1.00 51.22 N ATOM 1980 CA HIS C 217 16.888 -1.717 5.011 1.00 51.01 C ATOM 1981 C HIS C 217 17.030 -1.712 3.501 1.00 72.54 C ATOM 1982 O HIS C 217 18.127 -1.801 2.958 1.00 35.03 O ATOM 1983 CB HIS C 217 18.205 -1.367 5.732 1.00 21.02 C ATOM 1984 CG HIS C 217 18.035 -0.952 7.178 1.00 23.15 C ATOM 1985 ND1 HIS C 217 17.416 -1.561 8.221 1.00 64.41 N flip ATOM 1986 CD2 HIS C 217 18.558 0.209 7.689 1.00 33.34 C flip ATOM 1987 CE1 HIS C 217 17.576 -0.764 9.320 1.00 50.15 C flip ATOM 1988 NE2 HIS C 217 18.269 0.297 8.972 1.00 31.41 N flip ATOM 0 H HIS C 217 16.872 -3.673 5.800 1.00 51.22 H new ATOM 0 HA HIS C 217 16.203 -0.907 5.260 1.00 51.01 H new ATOM 0 HB2 HIS C 217 18.869 -2.231 5.690 1.00 21.02 H new ATOM 0 HB3 HIS C 217 18.698 -0.560 5.191 1.00 21.02 H new ATOM 0 HD2 HIS C 217 19.120 0.939 7.126 1.00 33.34 H new ATOM 0 HE1 HIS C 217 17.196 -0.972 10.309 1.00 50.15 H new ATOM 0 HE2 HIS C 217 18.538 1.061 9.592 1.00 31.41 H new ATOM 1997 N VAL C 218 15.899 -1.676 2.844 1.00 21.13 N ATOM 1998 CA VAL C 218 15.822 -1.593 1.407 1.00 13.22 C ATOM 1999 C VAL C 218 15.756 -0.110 1.038 1.00 23.31 C ATOM 2000 O VAL C 218 15.445 0.719 1.896 1.00 15.04 O ATOM 2001 CB VAL C 218 14.574 -2.379 0.865 1.00 24.14 C ATOM 2002 CG1 VAL C 218 13.279 -1.842 1.437 1.00 73.31 C ATOM 2003 CG2 VAL C 218 14.533 -2.414 -0.665 1.00 44.04 C ATOM 0 H VAL C 218 14.988 -1.704 3.301 1.00 21.13 H new ATOM 0 HA VAL C 218 16.697 -2.053 0.948 1.00 13.22 H new ATOM 0 HB VAL C 218 14.683 -3.408 1.207 1.00 24.14 H new ATOM 0 HG11 VAL C 218 12.441 -2.412 1.037 1.00 73.31 H new ATOM 0 HG12 VAL C 218 13.295 -1.934 2.523 1.00 73.31 H new ATOM 0 HG13 VAL C 218 13.168 -0.793 1.163 1.00 73.31 H new ATOM 0 HG21 VAL C 218 13.653 -2.968 -0.993 1.00 44.04 H new ATOM 0 HG22 VAL C 218 14.486 -1.396 -1.051 1.00 44.04 H new ATOM 0 HG23 VAL C 218 15.431 -2.903 -1.042 1.00 44.04 H new ATOM 2013 N ALA C 219 16.031 0.235 -0.189 1.00 62.10 N ATOM 2014 CA ALA C 219 16.089 1.611 -0.543 1.00 34.40 C ATOM 2015 C ALA C 219 14.750 2.106 -1.022 1.00 51.35 C ATOM 2016 O ALA C 219 14.200 1.614 -2.006 1.00 22.11 O ATOM 2017 CB ALA C 219 17.183 1.872 -1.563 1.00 61.24 C ATOM 0 H ALA C 219 16.216 -0.418 -0.950 1.00 62.10 H new ATOM 0 HA ALA C 219 16.343 2.176 0.354 1.00 34.40 H new ATOM 0 HB1 ALA C 219 17.202 2.933 -1.813 1.00 61.24 H new ATOM 0 HB2 ALA C 219 18.147 1.581 -1.146 1.00 61.24 H new ATOM 0 HB3 ALA C 219 16.987 1.290 -2.464 1.00 61.24 H new ATOM 2023 N ARG C 220 14.243 3.084 -0.319 1.00 73.05 N ATOM 2024 CA ARG C 220 12.980 3.728 -0.621 1.00 62.22 C ATOM 2025 C ARG C 220 13.031 4.414 -1.991 1.00 74.34 C ATOM 2026 O ARG C 220 12.020 4.555 -2.667 1.00 35.20 O ATOM 2027 CB ARG C 220 12.650 4.684 0.556 1.00 30.33 C ATOM 2028 CG ARG C 220 11.465 5.643 0.416 1.00 34.33 C ATOM 2029 CD ARG C 220 11.817 6.834 -0.425 1.00 54.14 C ATOM 2030 NE ARG C 220 12.993 7.537 0.110 1.00 64.35 N ATOM 2031 CZ ARG C 220 13.608 8.564 -0.476 1.00 22.43 C ATOM 2032 NH1 ARG C 220 13.081 9.136 -1.554 1.00 3.12 N ATOM 2033 NH2 ARG C 220 14.732 9.039 0.039 1.00 4.42 N ATOM 0 H ARG C 220 14.706 3.470 0.504 1.00 73.05 H new ATOM 0 HA ARG C 220 12.170 3.003 -0.707 1.00 62.22 H new ATOM 0 HB2 ARG C 220 12.476 4.071 1.440 1.00 30.33 H new ATOM 0 HB3 ARG C 220 13.539 5.284 0.753 1.00 30.33 H new ATOM 0 HG2 ARG C 220 10.621 5.117 -0.031 1.00 34.33 H new ATOM 0 HG3 ARG C 220 11.146 5.975 1.404 1.00 34.33 H new ATOM 0 HD2 ARG C 220 12.016 6.514 -1.448 1.00 54.14 H new ATOM 0 HD3 ARG C 220 10.969 7.517 -0.465 1.00 54.14 H new ATOM 0 HE ARG C 220 13.368 7.212 1.001 1.00 64.35 H new ATOM 0 HH11 ARG C 220 12.201 8.789 -1.937 1.00 3.12 H new ATOM 0 HH12 ARG C 220 13.556 9.922 -1.998 1.00 3.12 H new ATOM 0 HH21 ARG C 220 15.124 8.619 0.882 1.00 4.42 H new ATOM 0 HH22 ARG C 220 15.205 9.825 -0.407 1.00 4.42 H new ATOM 2047 N ALA C 221 14.208 4.824 -2.382 1.00 13.41 N ATOM 2048 CA ALA C 221 14.420 5.445 -3.672 1.00 24.21 C ATOM 2049 C ALA C 221 14.551 4.393 -4.785 1.00 4.12 C ATOM 2050 O ALA C 221 14.566 4.735 -5.966 1.00 23.43 O ATOM 2051 CB ALA C 221 15.648 6.344 -3.629 1.00 54.24 C ATOM 0 H ALA C 221 15.053 4.739 -1.817 1.00 13.41 H new ATOM 0 HA ALA C 221 13.548 6.057 -3.901 1.00 24.21 H new ATOM 0 HB1 ALA C 221 15.796 6.805 -4.606 1.00 54.24 H new ATOM 0 HB2 ALA C 221 15.504 7.122 -2.879 1.00 54.24 H new ATOM 0 HB3 ALA C 221 16.525 5.750 -3.371 1.00 54.24 H new ATOM 2057 N ASN C 222 14.664 3.116 -4.400 1.00 63.25 N ATOM 2058 CA ASN C 222 14.874 2.037 -5.377 1.00 14.44 C ATOM 2059 C ASN C 222 13.588 1.204 -5.593 1.00 62.34 C ATOM 2060 O ASN C 222 13.519 0.340 -6.473 1.00 30.41 O ATOM 2061 CB ASN C 222 16.014 1.127 -4.922 1.00 73.45 C ATOM 2062 CG ASN C 222 16.426 0.115 -5.974 1.00 54.34 C ATOM 2063 OD1 ASN C 222 16.355 0.378 -7.179 1.00 72.32 O ATOM 2064 ND2 ASN C 222 16.844 -1.031 -5.540 1.00 4.22 N ATOM 0 H ASN C 222 14.614 2.805 -3.430 1.00 63.25 H new ATOM 0 HA ASN C 222 15.137 2.500 -6.328 1.00 14.44 H new ATOM 0 HB2 ASN C 222 16.876 1.739 -4.659 1.00 73.45 H new ATOM 0 HB3 ASN C 222 15.710 0.599 -4.018 1.00 73.45 H new ATOM 0 HD21 ASN C 222 17.129 -1.754 -6.201 1.00 4.22 H new ATOM 0 HD22 ASN C 222 16.889 -1.211 -4.537 1.00 4.22 H new ATOM 2071 N VAL C 223 12.579 1.464 -4.805 1.00 63.32 N ATOM 2072 CA VAL C 223 11.306 0.771 -4.967 1.00 61.44 C ATOM 2073 C VAL C 223 10.376 1.601 -5.849 1.00 74.32 C ATOM 2074 O VAL C 223 10.507 2.825 -5.909 1.00 12.43 O ATOM 2075 CB VAL C 223 10.597 0.529 -3.600 1.00 53.21 C ATOM 2076 CG1 VAL C 223 11.440 -0.354 -2.693 1.00 3.23 C ATOM 2077 CG2 VAL C 223 10.301 1.852 -2.914 1.00 20.32 C ATOM 0 H VAL C 223 12.602 2.145 -4.046 1.00 63.32 H new ATOM 0 HA VAL C 223 11.520 -0.194 -5.426 1.00 61.44 H new ATOM 0 HB VAL C 223 9.657 0.015 -3.797 1.00 53.21 H new ATOM 0 HG11 VAL C 223 10.920 -0.505 -1.747 1.00 3.23 H new ATOM 0 HG12 VAL C 223 11.605 -1.318 -3.175 1.00 3.23 H new ATOM 0 HG13 VAL C 223 12.400 0.127 -2.506 1.00 3.23 H new ATOM 0 HG21 VAL C 223 9.806 1.665 -1.961 1.00 20.32 H new ATOM 0 HG22 VAL C 223 11.234 2.388 -2.739 1.00 20.32 H new ATOM 0 HG23 VAL C 223 9.650 2.454 -3.549 1.00 20.32 H new ATOM 2087 N LYS C 224 9.473 0.948 -6.564 1.00 32.54 N ATOM 2088 CA LYS C 224 8.500 1.680 -7.354 1.00 33.25 C ATOM 2089 C LYS C 224 7.239 1.894 -6.565 1.00 50.15 C ATOM 2090 O LYS C 224 6.718 2.997 -6.496 1.00 32.05 O ATOM 2091 CB LYS C 224 8.135 0.962 -8.652 1.00 72.30 C ATOM 2092 CG LYS C 224 9.291 0.720 -9.579 1.00 24.31 C ATOM 2093 CD LYS C 224 8.826 0.187 -10.933 1.00 61.22 C ATOM 2094 CE LYS C 224 8.090 -1.135 -10.818 1.00 70.22 C ATOM 2095 NZ LYS C 224 7.576 -1.579 -12.129 1.00 54.11 N ATOM 0 H LYS C 224 9.395 -0.068 -6.613 1.00 32.54 H new ATOM 0 HA LYS C 224 8.967 2.632 -7.605 1.00 33.25 H new ATOM 0 HB2 LYS C 224 7.677 0.004 -8.405 1.00 72.30 H new ATOM 0 HB3 LYS C 224 7.382 1.549 -9.177 1.00 72.30 H new ATOM 0 HG2 LYS C 224 9.843 1.649 -9.723 1.00 24.31 H new ATOM 0 HG3 LYS C 224 9.980 0.008 -9.124 1.00 24.31 H new ATOM 0 HD2 LYS C 224 8.173 0.922 -11.404 1.00 61.22 H new ATOM 0 HD3 LYS C 224 9.690 0.062 -11.586 1.00 61.22 H new ATOM 0 HE2 LYS C 224 8.760 -1.893 -10.412 1.00 70.22 H new ATOM 0 HE3 LYS C 224 7.262 -1.033 -10.116 1.00 70.22 H new ATOM 0 HZ1 LYS C 224 7.078 -2.485 -12.018 1.00 54.11 H new ATOM 0 HZ2 LYS C 224 6.918 -0.866 -12.504 1.00 54.11 H new ATOM 0 HZ3 LYS C 224 8.370 -1.699 -12.790 1.00 54.11 H new ATOM 2109 N HIS C 225 6.741 0.834 -5.959 1.00 24.44 N ATOM 2110 CA HIS C 225 5.484 0.943 -5.267 1.00 72.03 C ATOM 2111 C HIS C 225 5.405 -0.006 -4.117 1.00 45.24 C ATOM 2112 O HIS C 225 6.229 -0.906 -3.989 1.00 54.33 O ATOM 2113 CB HIS C 225 4.294 0.669 -6.219 1.00 24.04 C ATOM 2114 CG HIS C 225 4.036 -0.781 -6.614 1.00 23.11 C ATOM 2115 ND1 HIS C 225 3.596 -1.838 -5.871 1.00 62.32 N flip ATOM 2116 CD2 HIS C 225 4.142 -1.261 -7.898 1.00 73.13 C flip ATOM 2117 CE1 HIS C 225 3.454 -2.894 -6.704 1.00 5.51 C flip ATOM 2118 NE2 HIS C 225 3.778 -2.534 -7.907 1.00 4.43 N flip ATOM 0 H HIS C 225 7.178 -0.087 -5.934 1.00 24.44 H new ATOM 0 HA HIS C 225 5.424 1.965 -4.893 1.00 72.03 H new ATOM 0 HB2 HIS C 225 3.390 1.057 -5.750 1.00 24.04 H new ATOM 0 HB3 HIS C 225 4.452 1.244 -7.131 1.00 24.04 H new ATOM 0 HD2 HIS C 225 4.468 -0.694 -8.757 1.00 73.13 H new ATOM 0 HE1 HIS C 225 3.123 -3.880 -6.414 1.00 5.51 H new ATOM 0 HE2 HIS C 225 3.756 -3.136 -8.730 1.00 4.43 H new ATOM 2127 N LEU C 226 4.364 0.157 -3.345 1.00 63.53 N ATOM 2128 CA LEU C 226 4.045 -0.690 -2.231 1.00 21.11 C ATOM 2129 C LEU C 226 2.700 -1.364 -2.497 1.00 61.12 C ATOM 2130 O LEU C 226 1.891 -0.869 -3.269 1.00 64.41 O ATOM 2131 CB LEU C 226 3.953 0.121 -0.911 1.00 50.41 C ATOM 2132 CG LEU C 226 5.254 0.692 -0.286 1.00 13.33 C ATOM 2133 CD1 LEU C 226 5.966 1.672 -1.203 1.00 54.34 C ATOM 2134 CD2 LEU C 226 4.935 1.359 1.037 1.00 4.11 C ATOM 0 H LEU C 226 3.691 0.912 -3.481 1.00 63.53 H new ATOM 0 HA LEU C 226 4.837 -1.431 -2.121 1.00 21.11 H new ATOM 0 HB2 LEU C 226 3.277 0.958 -1.086 1.00 50.41 H new ATOM 0 HB3 LEU C 226 3.482 -0.518 -0.164 1.00 50.41 H new ATOM 0 HG LEU C 226 5.932 -0.147 -0.130 1.00 13.33 H new ATOM 0 HD11 LEU C 226 6.868 2.038 -0.714 1.00 54.34 H new ATOM 0 HD12 LEU C 226 6.235 1.171 -2.133 1.00 54.34 H new ATOM 0 HD13 LEU C 226 5.306 2.511 -1.422 1.00 54.34 H new ATOM 0 HD21 LEU C 226 5.851 1.759 1.473 1.00 4.11 H new ATOM 0 HD22 LEU C 226 4.226 2.171 0.874 1.00 4.11 H new ATOM 0 HD23 LEU C 226 4.498 0.628 1.717 1.00 4.11 H new ATOM 2146 N LYS C 227 2.507 -2.497 -1.929 1.00 74.23 N ATOM 2147 CA LYS C 227 1.259 -3.198 -1.970 1.00 5.25 C ATOM 2148 C LYS C 227 1.005 -3.789 -0.622 1.00 44.01 C ATOM 2149 O LYS C 227 1.772 -4.618 -0.159 1.00 24.30 O ATOM 2150 CB LYS C 227 1.268 -4.261 -3.045 1.00 53.42 C ATOM 2151 CG LYS C 227 0.050 -5.164 -2.994 1.00 1.22 C ATOM 2152 CD LYS C 227 -0.093 -5.971 -4.244 1.00 53.20 C ATOM 2153 CE LYS C 227 1.188 -6.646 -4.644 1.00 2.33 C ATOM 2154 NZ LYS C 227 1.674 -7.627 -3.633 1.00 41.02 N ATOM 0 H LYS C 227 3.232 -2.986 -1.403 1.00 74.23 H new ATOM 0 HA LYS C 227 0.455 -2.506 -2.220 1.00 5.25 H new ATOM 0 HB2 LYS C 227 1.317 -3.781 -4.023 1.00 53.42 H new ATOM 0 HB3 LYS C 227 2.168 -4.867 -2.942 1.00 53.42 H new ATOM 0 HG2 LYS C 227 0.128 -5.832 -2.136 1.00 1.22 H new ATOM 0 HG3 LYS C 227 -0.845 -4.560 -2.847 1.00 1.22 H new ATOM 0 HD2 LYS C 227 -0.867 -6.725 -4.099 1.00 53.20 H new ATOM 0 HD3 LYS C 227 -0.427 -5.323 -5.054 1.00 53.20 H new ATOM 0 HE2 LYS C 227 1.040 -7.157 -5.595 1.00 2.33 H new ATOM 0 HE3 LYS C 227 1.956 -5.889 -4.805 1.00 2.33 H new ATOM 0 HZ1 LYS C 227 2.623 -7.958 -3.899 1.00 41.02 H new ATOM 0 HZ2 LYS C 227 1.715 -7.171 -2.699 1.00 41.02 H new ATOM 0 HZ3 LYS C 227 1.023 -8.437 -3.595 1.00 41.02 H new ATOM 2168 N ILE C 228 -0.058 -3.382 0.003 1.00 60.14 N ATOM 2169 CA ILE C 228 -0.298 -3.761 1.369 1.00 33.44 C ATOM 2170 C ILE C 228 -1.445 -4.762 1.494 1.00 3.24 C ATOM 2171 O ILE C 228 -2.542 -4.565 0.928 1.00 73.13 O ATOM 2172 CB ILE C 228 -0.572 -2.516 2.261 1.00 42.23 C ATOM 2173 CG1 ILE C 228 0.565 -1.492 2.114 1.00 63.04 C ATOM 2174 CG2 ILE C 228 -0.702 -2.931 3.718 1.00 35.11 C ATOM 2175 CD1 ILE C 228 0.403 -0.249 2.971 1.00 32.30 C ATOM 0 H ILE C 228 -0.776 -2.786 -0.409 1.00 60.14 H new ATOM 0 HA ILE C 228 0.611 -4.249 1.722 1.00 33.44 H new ATOM 0 HB ILE C 228 -1.506 -2.058 1.936 1.00 42.23 H new ATOM 0 HG12 ILE C 228 1.508 -1.975 2.370 1.00 63.04 H new ATOM 0 HG13 ILE C 228 0.634 -1.191 1.069 1.00 63.04 H new ATOM 0 HG21 ILE C 228 -0.894 -2.051 4.331 1.00 35.11 H new ATOM 0 HG22 ILE C 228 -1.528 -3.634 3.824 1.00 35.11 H new ATOM 0 HG23 ILE C 228 0.223 -3.407 4.045 1.00 35.11 H new ATOM 0 HD11 ILE C 228 1.248 0.419 2.806 1.00 32.30 H new ATOM 0 HD12 ILE C 228 -0.521 0.261 2.701 1.00 32.30 H new ATOM 0 HD13 ILE C 228 0.366 -0.534 4.022 1.00 32.30 H new ATOM 2187 N LEU C 229 -1.165 -5.844 2.206 1.00 73.12 N ATOM 2188 CA LEU C 229 -2.130 -6.879 2.522 1.00 62.30 C ATOM 2189 C LEU C 229 -2.065 -7.148 4.020 1.00 23.54 C ATOM 2190 O LEU C 229 -1.027 -7.546 4.532 1.00 53.23 O ATOM 2191 CB LEU C 229 -1.856 -8.230 1.770 1.00 2.32 C ATOM 2192 CG LEU C 229 -1.985 -8.277 0.227 1.00 33.41 C ATOM 2193 CD1 LEU C 229 -0.877 -7.525 -0.491 1.00 24.43 C ATOM 2194 CD2 LEU C 229 -2.076 -9.711 -0.274 1.00 72.24 C ATOM 0 H LEU C 229 -0.237 -6.028 2.588 1.00 73.12 H new ATOM 0 HA LEU C 229 -3.109 -6.521 2.204 1.00 62.30 H new ATOM 0 HB2 LEU C 229 -0.845 -8.547 2.024 1.00 2.32 H new ATOM 0 HB3 LEU C 229 -2.537 -8.977 2.179 1.00 2.32 H new ATOM 0 HG LEU C 229 -2.915 -7.762 -0.013 1.00 33.41 H new ATOM 0 HD11 LEU C 229 -1.027 -7.597 -1.568 1.00 24.43 H new ATOM 0 HD12 LEU C 229 -0.895 -6.477 -0.192 1.00 24.43 H new ATOM 0 HD13 LEU C 229 0.087 -7.960 -0.229 1.00 24.43 H new ATOM 0 HD21 LEU C 229 -2.166 -9.712 -1.360 1.00 72.24 H new ATOM 0 HD22 LEU C 229 -1.178 -10.256 0.016 1.00 72.24 H new ATOM 0 HD23 LEU C 229 -2.950 -10.194 0.163 1.00 72.24 H new ATOM 2206 N ASN C 230 -3.136 -6.893 4.731 1.00 24.53 N ATOM 2207 CA ASN C 230 -3.158 -7.205 6.163 1.00 13.41 C ATOM 2208 C ASN C 230 -3.873 -8.493 6.383 1.00 10.05 C ATOM 2209 O ASN C 230 -5.098 -8.564 6.291 1.00 33.40 O ATOM 2210 CB ASN C 230 -3.766 -6.082 7.032 1.00 22.02 C ATOM 2211 CG ASN C 230 -2.893 -4.830 7.126 1.00 62.15 C ATOM 2212 OD1 ASN C 230 -2.905 -4.130 8.127 1.00 74.23 O ATOM 2213 ND2 ASN C 230 -2.159 -4.533 6.098 1.00 64.40 N ATOM 0 H ASN C 230 -3.993 -6.479 4.364 1.00 24.53 H new ATOM 0 HA ASN C 230 -2.121 -7.296 6.485 1.00 13.41 H new ATOM 0 HB2 ASN C 230 -4.738 -5.805 6.623 1.00 22.02 H new ATOM 0 HB3 ASN C 230 -3.941 -6.467 8.036 1.00 22.02 H new ATOM 0 HD21 ASN C 230 -1.574 -3.698 6.114 1.00 64.40 H new ATOM 0 HD22 ASN C 230 -2.167 -5.135 5.274 1.00 64.40 H new ATOM 2220 N THR C 231 -3.111 -9.509 6.646 1.00 33.43 N ATOM 2221 CA THR C 231 -3.617 -10.828 6.790 1.00 24.21 C ATOM 2222 C THR C 231 -3.655 -11.237 8.256 1.00 11.03 C ATOM 2223 O THR C 231 -2.806 -10.791 9.051 1.00 62.43 O ATOM 2224 CB THR C 231 -2.716 -11.794 6.014 1.00 4.40 C ATOM 2225 OG1 THR C 231 -1.367 -11.662 6.494 1.00 24.11 O ATOM 2226 CG2 THR C 231 -2.723 -11.454 4.548 1.00 74.13 C ATOM 0 H THR C 231 -2.101 -9.437 6.768 1.00 33.43 H new ATOM 0 HA THR C 231 -4.633 -10.861 6.398 1.00 24.21 H new ATOM 0 HB THR C 231 -3.086 -12.809 6.157 1.00 4.40 H new ATOM 0 HG1 THR C 231 -1.049 -12.530 6.818 1.00 24.11 H new ATOM 0 HG21 THR C 231 -2.078 -12.149 4.010 1.00 74.13 H new ATOM 0 HG22 THR C 231 -3.740 -11.529 4.162 1.00 74.13 H new ATOM 0 HG23 THR C 231 -2.356 -10.437 4.409 1.00 74.13 H new ATOM 2234 N PRO C 232 -4.624 -12.071 8.646 1.00 35.44 N ATOM 2235 CA PRO C 232 -4.713 -12.568 10.002 1.00 12.24 C ATOM 2236 C PRO C 232 -3.583 -13.554 10.301 1.00 22.40 C ATOM 2237 O PRO C 232 -3.672 -14.725 9.956 1.00 62.01 O ATOM 2238 CB PRO C 232 -6.080 -13.259 10.061 1.00 75.40 C ATOM 2239 CG PRO C 232 -6.390 -13.617 8.646 1.00 1.11 C ATOM 2240 CD PRO C 232 -5.709 -12.590 7.786 1.00 61.32 C ATOM 0 HA PRO C 232 -4.617 -11.775 10.743 1.00 12.24 H new ATOM 0 HB2 PRO C 232 -6.048 -14.145 10.695 1.00 75.40 H new ATOM 0 HB3 PRO C 232 -6.840 -12.597 10.477 1.00 75.40 H new ATOM 0 HG2 PRO C 232 -6.030 -14.619 8.412 1.00 1.11 H new ATOM 0 HG3 PRO C 232 -7.466 -13.616 8.473 1.00 1.11 H new ATOM 0 HD2 PRO C 232 -5.316 -13.032 6.870 1.00 61.32 H new ATOM 0 HD3 PRO C 232 -6.397 -11.798 7.488 1.00 61.32 H new ATOM 2248 N ASN C 233 -2.492 -13.013 10.862 1.00 1.54 N ATOM 2249 CA ASN C 233 -1.251 -13.744 11.246 1.00 33.22 C ATOM 2250 C ASN C 233 -0.123 -12.726 11.295 1.00 12.10 C ATOM 2251 O ASN C 233 0.855 -12.875 12.026 1.00 63.50 O ATOM 2252 CB ASN C 233 -0.843 -14.826 10.208 1.00 23.23 C ATOM 2253 CG ASN C 233 0.382 -15.652 10.623 1.00 24.23 C ATOM 2254 OD1 ASN C 233 0.620 -15.902 11.811 1.00 34.33 O ATOM 2255 ND2 ASN C 233 1.169 -16.068 9.657 1.00 24.11 N ATOM 0 H ASN C 233 -2.436 -12.017 11.074 1.00 1.54 H new ATOM 0 HA ASN C 233 -1.435 -14.239 12.200 1.00 33.22 H new ATOM 0 HB2 ASN C 233 -1.686 -15.499 10.048 1.00 23.23 H new ATOM 0 HB3 ASN C 233 -0.636 -14.341 9.254 1.00 23.23 H new ATOM 0 HD21 ASN C 233 2.003 -16.613 9.877 1.00 24.11 H new ATOM 0 HD22 ASN C 233 0.946 -15.846 8.687 1.00 24.11 H new ATOM 2262 N CYS C 234 -0.289 -11.668 10.526 1.00 21.31 N ATOM 2263 CA CYS C 234 0.727 -10.650 10.381 1.00 11.34 C ATOM 2264 C CYS C 234 0.184 -9.283 10.728 1.00 22.11 C ATOM 2265 O CYS C 234 -1.001 -9.008 10.528 1.00 1.45 O ATOM 2266 CB CYS C 234 1.284 -10.670 8.942 1.00 60.24 C ATOM 2267 SG CYS C 234 2.251 -12.153 8.543 1.00 61.51 S ATOM 0 H CYS C 234 -1.135 -11.492 9.984 1.00 21.31 H new ATOM 0 HA CYS C 234 1.537 -10.866 11.077 1.00 11.34 H new ATOM 0 HB2 CYS C 234 0.453 -10.592 8.241 1.00 60.24 H new ATOM 0 HB3 CYS C 234 1.910 -9.790 8.794 1.00 60.24 H new ATOM 2272 N ALA C 235 1.058 -8.446 11.269 1.00 55.42 N ATOM 2273 CA ALA C 235 0.728 -7.095 11.694 1.00 63.43 C ATOM 2274 C ALA C 235 0.168 -6.299 10.538 1.00 61.15 C ATOM 2275 O ALA C 235 -0.972 -5.827 10.570 1.00 20.03 O ATOM 2276 CB ALA C 235 1.982 -6.416 12.220 1.00 4.23 C ATOM 0 H ALA C 235 2.035 -8.693 11.427 1.00 55.42 H new ATOM 0 HA ALA C 235 -0.025 -7.144 12.480 1.00 63.43 H new ATOM 0 HB1 ALA C 235 1.740 -5.403 12.540 1.00 4.23 H new ATOM 0 HB2 ALA C 235 2.373 -6.980 13.067 1.00 4.23 H new ATOM 0 HB3 ALA C 235 2.733 -6.378 11.431 1.00 4.23 H new ATOM 2282 N CYS C 236 0.976 -6.171 9.541 1.00 60.42 N ATOM 2283 CA CYS C 236 0.670 -5.479 8.336 1.00 25.12 C ATOM 2284 C CYS C 236 1.748 -5.931 7.370 1.00 43.31 C ATOM 2285 O CYS C 236 2.902 -6.009 7.751 1.00 34.03 O ATOM 2286 CB CYS C 236 0.706 -3.935 8.595 1.00 23.44 C ATOM 2287 SG CYS C 236 0.184 -2.869 7.200 1.00 73.50 S ATOM 0 H CYS C 236 1.916 -6.567 9.545 1.00 60.42 H new ATOM 0 HA CYS C 236 -0.324 -5.690 7.943 1.00 25.12 H new ATOM 0 HB2 CYS C 236 0.068 -3.716 9.451 1.00 23.44 H new ATOM 0 HB3 CYS C 236 1.722 -3.658 8.876 1.00 23.44 H new ATOM 2292 N GLN C 237 1.390 -6.304 6.183 1.00 32.13 N ATOM 2293 CA GLN C 237 2.370 -6.836 5.263 1.00 13.24 C ATOM 2294 C GLN C 237 2.418 -5.995 4.016 1.00 11.20 C ATOM 2295 O GLN C 237 1.397 -5.802 3.343 1.00 4.25 O ATOM 2296 CB GLN C 237 2.049 -8.300 4.916 1.00 70.34 C ATOM 2297 CG GLN C 237 3.151 -9.005 4.130 1.00 21.04 C ATOM 2298 CD GLN C 237 4.455 -9.096 4.916 1.00 64.52 C ATOM 2299 OE1 GLN C 237 5.533 -9.094 4.347 1.00 5.52 O ATOM 2300 NE2 GLN C 237 4.347 -9.192 6.221 1.00 73.21 N ATOM 0 H GLN C 237 0.438 -6.255 5.821 1.00 32.13 H new ATOM 0 HA GLN C 237 3.349 -6.808 5.742 1.00 13.24 H new ATOM 0 HB2 GLN C 237 1.866 -8.850 5.839 1.00 70.34 H new ATOM 0 HB3 GLN C 237 1.126 -8.332 4.337 1.00 70.34 H new ATOM 0 HG2 GLN C 237 2.819 -10.009 3.864 1.00 21.04 H new ATOM 0 HG3 GLN C 237 3.328 -8.470 3.197 1.00 21.04 H new ATOM 0 HE21 GLN C 237 3.425 -9.190 6.658 1.00 73.21 H new ATOM 0 HE22 GLN C 237 5.185 -9.269 6.798 1.00 73.21 H new ATOM 2309 N ILE C 238 3.580 -5.491 3.707 1.00 33.32 N ATOM 2310 CA ILE C 238 3.747 -4.638 2.570 1.00 14.45 C ATOM 2311 C ILE C 238 4.675 -5.321 1.581 1.00 15.14 C ATOM 2312 O ILE C 238 5.691 -5.855 1.968 1.00 65.11 O ATOM 2313 CB ILE C 238 4.387 -3.293 2.989 1.00 22.15 C ATOM 2314 CG1 ILE C 238 3.634 -2.681 4.180 1.00 52.13 C ATOM 2315 CG2 ILE C 238 4.379 -2.327 1.816 1.00 3.52 C ATOM 2316 CD1 ILE C 238 4.169 -1.339 4.626 1.00 31.24 C ATOM 0 H ILE C 238 4.435 -5.661 4.237 1.00 33.32 H new ATOM 0 HA ILE C 238 2.770 -4.448 2.125 1.00 14.45 H new ATOM 0 HB ILE C 238 5.417 -3.480 3.292 1.00 22.15 H new ATOM 0 HG12 ILE C 238 2.583 -2.570 3.913 1.00 52.13 H new ATOM 0 HG13 ILE C 238 3.679 -3.375 5.019 1.00 52.13 H new ATOM 0 HG21 ILE C 238 4.831 -1.383 2.119 1.00 3.52 H new ATOM 0 HG22 ILE C 238 4.948 -2.753 0.990 1.00 3.52 H new ATOM 0 HG23 ILE C 238 3.352 -2.151 1.496 1.00 3.52 H new ATOM 0 HD11 ILE C 238 3.583 -0.976 5.470 1.00 31.24 H new ATOM 0 HD12 ILE C 238 5.211 -1.444 4.926 1.00 31.24 H new ATOM 0 HD13 ILE C 238 4.099 -0.628 3.803 1.00 31.24 H new ATOM 2328 N VAL C 239 4.316 -5.329 0.333 1.00 51.35 N ATOM 2329 CA VAL C 239 5.159 -5.907 -0.691 1.00 24.02 C ATOM 2330 C VAL C 239 5.530 -4.817 -1.700 1.00 22.04 C ATOM 2331 O VAL C 239 4.650 -4.146 -2.237 1.00 71.35 O ATOM 2332 CB VAL C 239 4.439 -7.073 -1.421 1.00 33.21 C ATOM 2333 CG1 VAL C 239 5.371 -7.754 -2.416 1.00 13.21 C ATOM 2334 CG2 VAL C 239 3.876 -8.085 -0.419 1.00 62.24 C ATOM 0 H VAL C 239 3.438 -4.940 -0.011 1.00 51.35 H new ATOM 0 HA VAL C 239 6.056 -6.309 -0.221 1.00 24.02 H new ATOM 0 HB VAL C 239 3.603 -6.651 -1.978 1.00 33.21 H new ATOM 0 HG11 VAL C 239 4.841 -8.567 -2.913 1.00 13.21 H new ATOM 0 HG12 VAL C 239 5.702 -7.029 -3.159 1.00 13.21 H new ATOM 0 HG13 VAL C 239 6.237 -8.154 -1.888 1.00 13.21 H new ATOM 0 HG21 VAL C 239 3.377 -8.891 -0.957 1.00 62.24 H new ATOM 0 HG22 VAL C 239 4.690 -8.497 0.178 1.00 62.24 H new ATOM 0 HG23 VAL C 239 3.160 -7.589 0.236 1.00 62.24 H new ATOM 2344 N ALA C 240 6.803 -4.649 -1.952 1.00 10.23 N ATOM 2345 CA ALA C 240 7.277 -3.622 -2.855 1.00 54.31 C ATOM 2346 C ALA C 240 8.080 -4.224 -3.971 1.00 15.00 C ATOM 2347 O ALA C 240 8.798 -5.200 -3.779 1.00 15.20 O ATOM 2348 CB ALA C 240 8.124 -2.599 -2.113 1.00 42.43 C ATOM 0 H ALA C 240 7.542 -5.218 -1.539 1.00 10.23 H new ATOM 0 HA ALA C 240 6.405 -3.122 -3.275 1.00 54.31 H new ATOM 0 HB1 ALA C 240 8.469 -1.837 -2.812 1.00 42.43 H new ATOM 0 HB2 ALA C 240 7.526 -2.130 -1.331 1.00 42.43 H new ATOM 0 HB3 ALA C 240 8.984 -3.096 -1.664 1.00 42.43 H new ATOM 2354 N ARG C 241 7.959 -3.664 -5.138 1.00 3.32 N ATOM 2355 CA ARG C 241 8.713 -4.145 -6.258 1.00 3.22 C ATOM 2356 C ARG C 241 9.632 -3.055 -6.762 1.00 61.54 C ATOM 2357 O ARG C 241 9.204 -1.894 -6.943 1.00 63.10 O ATOM 2358 CB ARG C 241 7.817 -4.761 -7.351 1.00 52.10 C ATOM 2359 CG ARG C 241 6.969 -5.911 -6.803 1.00 31.02 C ATOM 2360 CD ARG C 241 6.388 -6.803 -7.881 1.00 64.24 C ATOM 2361 NE ARG C 241 5.718 -7.989 -7.294 1.00 35.22 N ATOM 2362 CZ ARG C 241 5.659 -9.209 -7.878 1.00 53.15 C ATOM 2363 NH1 ARG C 241 6.194 -9.395 -9.085 1.00 41.12 N ATOM 2364 NH2 ARG C 241 5.064 -10.240 -7.245 1.00 35.34 N ATOM 0 H ARG C 241 7.346 -2.874 -5.339 1.00 3.32 H new ATOM 0 HA ARG C 241 9.342 -4.972 -5.930 1.00 3.22 H new ATOM 0 HB2 ARG C 241 7.164 -3.992 -7.764 1.00 52.10 H new ATOM 0 HB3 ARG C 241 8.438 -5.124 -8.169 1.00 52.10 H new ATOM 0 HG2 ARG C 241 7.581 -6.516 -6.133 1.00 31.02 H new ATOM 0 HG3 ARG C 241 6.155 -5.499 -6.206 1.00 31.02 H new ATOM 0 HD2 ARG C 241 5.673 -6.237 -8.478 1.00 64.24 H new ATOM 0 HD3 ARG C 241 7.181 -7.127 -8.555 1.00 64.24 H new ATOM 0 HE ARG C 241 5.269 -7.877 -6.385 1.00 35.22 H new ATOM 0 HH11 ARG C 241 6.647 -8.619 -9.567 1.00 41.12 H new ATOM 0 HH12 ARG C 241 6.150 -10.314 -9.526 1.00 41.12 H new ATOM 0 HH21 ARG C 241 4.655 -10.103 -6.321 1.00 35.34 H new ATOM 0 HH22 ARG C 241 5.023 -11.157 -7.690 1.00 35.34 H new ATOM 2378 N LEU C 242 10.891 -3.420 -6.938 1.00 1.30 N ATOM 2379 CA LEU C 242 11.966 -2.495 -7.289 1.00 21.45 C ATOM 2380 C LEU C 242 11.834 -1.904 -8.707 1.00 24.14 C ATOM 2381 O LEU C 242 11.118 -2.444 -9.567 1.00 55.14 O ATOM 2382 CB LEU C 242 13.329 -3.184 -7.099 1.00 72.11 C ATOM 2383 CG LEU C 242 13.640 -3.719 -5.685 1.00 22.05 C ATOM 2384 CD1 LEU C 242 15.027 -4.320 -5.629 1.00 54.32 C ATOM 2385 CD2 LEU C 242 13.489 -2.642 -4.628 1.00 51.51 C ATOM 0 H LEU C 242 11.205 -4.386 -6.840 1.00 1.30 H new ATOM 0 HA LEU C 242 11.888 -1.645 -6.611 1.00 21.45 H new ATOM 0 HB2 LEU C 242 13.391 -4.017 -7.800 1.00 72.11 H new ATOM 0 HB3 LEU C 242 14.110 -2.476 -7.375 1.00 72.11 H new ATOM 0 HG LEU C 242 12.911 -4.500 -5.469 1.00 22.05 H new ATOM 0 HD11 LEU C 242 15.223 -4.690 -4.623 1.00 54.32 H new ATOM 0 HD12 LEU C 242 15.095 -5.145 -6.338 1.00 54.32 H new ATOM 0 HD13 LEU C 242 15.764 -3.559 -5.886 1.00 54.32 H new ATOM 0 HD21 LEU C 242 13.717 -3.060 -3.647 1.00 51.51 H new ATOM 0 HD22 LEU C 242 14.176 -1.823 -4.842 1.00 51.51 H new ATOM 0 HD23 LEU C 242 12.465 -2.268 -4.634 1.00 51.51 H new ATOM 2397 N LYS C 243 12.521 -0.776 -8.915 1.00 41.12 N ATOM 2398 CA LYS C 243 12.538 -0.035 -10.180 1.00 4.33 C ATOM 2399 C LYS C 243 13.147 -0.825 -11.331 1.00 11.21 C ATOM 2400 O LYS C 243 13.886 -1.799 -11.117 1.00 4.51 O ATOM 2401 CB LYS C 243 13.276 1.275 -9.961 1.00 75.35 C ATOM 2402 CG LYS C 243 12.595 2.116 -8.909 1.00 61.14 C ATOM 2403 CD LYS C 243 13.431 3.270 -8.444 1.00 64.31 C ATOM 2404 CE LYS C 243 13.651 4.322 -9.504 1.00 35.41 C ATOM 2405 NZ LYS C 243 14.438 5.456 -8.969 1.00 11.31 N ATOM 0 H LYS C 243 13.094 -0.343 -8.191 1.00 41.12 H new ATOM 0 HA LYS C 243 11.507 0.156 -10.476 1.00 4.33 H new ATOM 0 HB2 LYS C 243 14.303 1.071 -9.658 1.00 75.35 H new ATOM 0 HB3 LYS C 243 13.324 1.829 -10.898 1.00 75.35 H new ATOM 0 HG2 LYS C 243 11.654 2.495 -9.309 1.00 61.14 H new ATOM 0 HG3 LYS C 243 12.348 1.487 -8.054 1.00 61.14 H new ATOM 0 HD2 LYS C 243 12.951 3.731 -7.581 1.00 64.31 H new ATOM 0 HD3 LYS C 243 14.398 2.896 -8.109 1.00 64.31 H new ATOM 0 HE2 LYS C 243 14.171 3.883 -10.355 1.00 35.41 H new ATOM 0 HE3 LYS C 243 12.689 4.682 -9.869 1.00 35.41 H new ATOM 0 HZ1 LYS C 243 13.941 6.348 -9.167 1.00 11.31 H new ATOM 0 HZ2 LYS C 243 14.553 5.344 -7.941 1.00 11.31 H new ATOM 0 HZ3 LYS C 243 15.374 5.474 -9.423 1.00 11.31 H new ATOM 2461 N ARG C 247 14.177 -7.390 -8.244 1.00 13.03 N ATOM 2462 CA ARG C 247 13.520 -8.255 -7.287 1.00 35.01 C ATOM 2463 C ARG C 247 12.368 -7.571 -6.560 1.00 40.12 C ATOM 2464 O ARG C 247 12.191 -6.351 -6.630 1.00 43.02 O ATOM 2465 CB ARG C 247 14.518 -8.837 -6.286 1.00 15.44 C ATOM 2466 CG ARG C 247 15.260 -7.814 -5.468 1.00 62.31 C ATOM 2467 CD ARG C 247 16.180 -8.478 -4.479 1.00 3.14 C ATOM 2468 NE ARG C 247 15.446 -9.304 -3.514 1.00 43.20 N ATOM 2469 CZ ARG C 247 15.540 -9.231 -2.173 1.00 70.33 C ATOM 2470 NH1 ARG C 247 16.388 -8.396 -1.588 1.00 42.14 N ATOM 2471 NH2 ARG C 247 14.785 -10.015 -1.426 1.00 4.41 N ATOM 0 HA ARG C 247 13.089 -9.072 -7.865 1.00 35.01 H new ATOM 0 HB2 ARG C 247 13.985 -9.505 -5.610 1.00 15.44 H new ATOM 0 HB3 ARG C 247 15.243 -9.444 -6.828 1.00 15.44 H new ATOM 0 HG2 ARG C 247 15.836 -7.165 -6.127 1.00 62.31 H new ATOM 0 HG3 ARG C 247 14.548 -7.180 -4.939 1.00 62.31 H new ATOM 0 HD2 ARG C 247 16.900 -9.098 -5.013 1.00 3.14 H new ATOM 0 HD3 ARG C 247 16.749 -7.717 -3.946 1.00 3.14 H new ATOM 0 HE ARG C 247 14.804 -9.999 -3.895 1.00 43.20 H new ATOM 0 HH11 ARG C 247 16.984 -7.794 -2.156 1.00 42.14 H new ATOM 0 HH12 ARG C 247 16.444 -8.356 -0.570 1.00 42.14 H new ATOM 0 HH21 ARG C 247 14.137 -10.669 -1.866 1.00 4.41 H new ATOM 0 HH22 ARG C 247 14.849 -9.967 -0.409 1.00 4.41 H new ATOM 2485 N GLN C 248 11.588 -8.357 -5.873 1.00 64.22 N ATOM 2486 CA GLN C 248 10.499 -7.841 -5.087 1.00 73.32 C ATOM 2487 C GLN C 248 10.769 -8.122 -3.647 1.00 53.35 C ATOM 2488 O GLN C 248 11.144 -9.237 -3.291 1.00 62.02 O ATOM 2489 CB GLN C 248 9.091 -8.369 -5.503 1.00 23.23 C ATOM 2490 CG GLN C 248 8.905 -9.893 -5.558 1.00 33.21 C ATOM 2491 CD GLN C 248 9.209 -10.512 -6.924 1.00 4.55 C ATOM 2492 OE1 GLN C 248 10.041 -9.878 -7.704 1.00 24.10 O flip ATOM 2493 NE2 GLN C 248 8.641 -11.540 -7.280 1.00 5.13 N flip ATOM 0 H GLN C 248 11.687 -9.372 -5.841 1.00 64.22 H new ATOM 0 HA GLN C 248 10.456 -6.768 -5.272 1.00 73.32 H new ATOM 0 HB2 GLN C 248 8.358 -7.963 -4.806 1.00 23.23 H new ATOM 0 HB3 GLN C 248 8.854 -7.963 -6.487 1.00 23.23 H new ATOM 0 HG2 GLN C 248 9.551 -10.354 -4.811 1.00 33.21 H new ATOM 0 HG3 GLN C 248 7.878 -10.133 -5.283 1.00 33.21 H new ATOM 0 HE21 GLN C 248 7.996 -12.012 -6.646 1.00 5.13 H new ATOM 0 HE22 GLN C 248 8.814 -11.922 -8.210 1.00 5.13 H new ATOM 2502 N VAL C 249 10.612 -7.138 -2.830 1.00 34.21 N ATOM 2503 CA VAL C 249 10.893 -7.286 -1.442 1.00 51.43 C ATOM 2504 C VAL C 249 9.632 -7.037 -0.656 1.00 3.22 C ATOM 2505 O VAL C 249 8.790 -6.239 -1.057 1.00 53.24 O ATOM 2506 CB VAL C 249 12.039 -6.328 -0.953 1.00 24.11 C ATOM 2507 CG1 VAL C 249 13.310 -6.530 -1.760 1.00 45.44 C ATOM 2508 CG2 VAL C 249 11.626 -4.864 -0.970 1.00 24.42 C ATOM 0 H VAL C 249 10.286 -6.211 -3.103 1.00 34.21 H new ATOM 0 HA VAL C 249 11.246 -8.304 -1.278 1.00 51.43 H new ATOM 0 HB VAL C 249 12.238 -6.595 0.085 1.00 24.11 H new ATOM 0 HG11 VAL C 249 14.083 -5.853 -1.397 1.00 45.44 H new ATOM 0 HG12 VAL C 249 13.650 -7.560 -1.652 1.00 45.44 H new ATOM 0 HG13 VAL C 249 13.110 -6.323 -2.811 1.00 45.44 H new ATOM 0 HG21 VAL C 249 12.455 -4.248 -0.623 1.00 24.42 H new ATOM 0 HG22 VAL C 249 11.358 -4.573 -1.986 1.00 24.42 H new ATOM 0 HG23 VAL C 249 10.768 -4.720 -0.313 1.00 24.42 H new ATOM 2518 N CYS C 250 9.476 -7.716 0.410 1.00 14.14 N ATOM 2519 CA CYS C 250 8.331 -7.512 1.240 1.00 15.51 C ATOM 2520 C CYS C 250 8.829 -6.738 2.418 1.00 4.13 C ATOM 2521 O CYS C 250 9.763 -7.136 3.021 1.00 34.25 O ATOM 2522 CB CYS C 250 7.766 -8.866 1.656 1.00 34.21 C ATOM 2523 SG CYS C 250 7.495 -9.991 0.228 1.00 52.41 S ATOM 0 H CYS C 250 10.126 -8.428 0.742 1.00 14.14 H new ATOM 0 HA CYS C 250 7.529 -6.973 0.736 1.00 15.51 H new ATOM 0 HB2 CYS C 250 8.449 -9.339 2.361 1.00 34.21 H new ATOM 0 HB3 CYS C 250 6.822 -8.716 2.179 1.00 34.21 H new ATOM 2528 N ILE C 251 8.225 -5.642 2.733 1.00 63.41 N ATOM 2529 CA ILE C 251 8.773 -4.771 3.745 1.00 61.02 C ATOM 2530 C ILE C 251 8.047 -4.774 5.027 1.00 11.41 C ATOM 2531 O ILE C 251 6.833 -5.019 5.085 1.00 11.25 O ATOM 2532 CB ILE C 251 9.045 -3.295 3.311 1.00 51.33 C ATOM 2533 CG1 ILE C 251 7.884 -2.586 2.614 1.00 73.43 C ATOM 2534 CG2 ILE C 251 10.246 -3.194 2.481 1.00 54.55 C ATOM 2535 CD1 ILE C 251 7.580 -3.087 1.217 1.00 23.14 C ATOM 0 H ILE C 251 7.354 -5.319 2.312 1.00 63.41 H new ATOM 0 HA ILE C 251 9.744 -5.243 3.896 1.00 61.02 H new ATOM 0 HB ILE C 251 9.188 -2.772 4.257 1.00 51.33 H new ATOM 0 HG12 ILE C 251 6.989 -2.696 3.227 1.00 73.43 H new ATOM 0 HG13 ILE C 251 8.106 -1.520 2.562 1.00 73.43 H new ATOM 0 HG21 ILE C 251 10.406 -2.154 2.197 1.00 54.55 H new ATOM 0 HG22 ILE C 251 11.108 -3.553 3.043 1.00 54.55 H new ATOM 0 HG23 ILE C 251 10.120 -3.800 1.584 1.00 54.55 H new ATOM 0 HD11 ILE C 251 6.743 -2.525 0.803 1.00 23.14 H new ATOM 0 HD12 ILE C 251 8.456 -2.952 0.583 1.00 23.14 H new ATOM 0 HD13 ILE C 251 7.322 -4.145 1.258 1.00 23.14 H new ATOM 2547 N ASP C 252 8.808 -4.508 6.070 1.00 4.22 N ATOM 2548 CA ASP C 252 8.261 -4.354 7.385 1.00 25.01 C ATOM 2549 C ASP C 252 7.523 -3.025 7.438 1.00 1.41 C ATOM 2550 O ASP C 252 8.071 -1.989 7.036 1.00 64.51 O ATOM 2551 CB ASP C 252 9.373 -4.381 8.435 1.00 64.32 C ATOM 2552 CG ASP C 252 8.842 -4.278 9.841 1.00 22.13 C ATOM 2553 OD1 ASP C 252 8.695 -3.173 10.337 1.00 51.14 O ATOM 2554 OD2 ASP C 252 8.566 -5.325 10.460 1.00 0.21 O ATOM 0 H ASP C 252 9.820 -4.394 6.020 1.00 4.22 H new ATOM 0 HA ASP C 252 7.577 -5.175 7.601 1.00 25.01 H new ATOM 0 HB2 ASP C 252 9.943 -5.304 8.332 1.00 64.32 H new ATOM 0 HB3 ASP C 252 10.063 -3.558 8.250 1.00 64.32 H new ATOM 2559 N PRO C 253 6.282 -3.025 7.917 1.00 22.40 N ATOM 2560 CA PRO C 253 5.444 -1.824 7.952 1.00 23.30 C ATOM 2561 C PRO C 253 5.910 -0.783 8.966 1.00 5.24 C ATOM 2562 O PRO C 253 5.338 0.303 9.071 1.00 33.42 O ATOM 2563 CB PRO C 253 4.068 -2.358 8.336 1.00 61.52 C ATOM 2564 CG PRO C 253 4.324 -3.645 9.034 1.00 51.21 C ATOM 2565 CD PRO C 253 5.590 -4.201 8.461 1.00 41.21 C ATOM 0 HA PRO C 253 5.471 -1.301 6.996 1.00 23.30 H new ATOM 0 HB2 PRO C 253 3.542 -1.657 8.984 1.00 61.52 H new ATOM 0 HB3 PRO C 253 3.444 -2.507 7.454 1.00 61.52 H new ATOM 0 HG2 PRO C 253 4.421 -3.490 10.109 1.00 51.21 H new ATOM 0 HG3 PRO C 253 3.495 -4.337 8.885 1.00 51.21 H new ATOM 0 HD2 PRO C 253 6.189 -4.698 9.224 1.00 41.21 H new ATOM 0 HD3 PRO C 253 5.386 -4.939 7.685 1.00 41.21 H new ATOM 2573 N LYS C 254 6.937 -1.099 9.697 1.00 22.11 N ATOM 2574 CA LYS C 254 7.406 -0.213 10.691 1.00 61.12 C ATOM 2575 C LYS C 254 8.767 0.395 10.297 1.00 42.45 C ATOM 2576 O LYS C 254 9.379 1.077 11.086 1.00 31.34 O ATOM 2577 CB LYS C 254 7.505 -0.937 12.015 1.00 24.21 C ATOM 2578 CG LYS C 254 6.222 -1.634 12.460 1.00 42.12 C ATOM 2579 CD LYS C 254 6.446 -2.459 13.724 1.00 63.43 C ATOM 2580 CE LYS C 254 7.455 -3.587 13.490 1.00 33.10 C ATOM 2581 NZ LYS C 254 7.673 -4.408 14.707 1.00 44.11 N ATOM 0 H LYS C 254 7.460 -1.971 9.614 1.00 22.11 H new ATOM 0 HA LYS C 254 6.696 0.608 10.788 1.00 61.12 H new ATOM 0 HB2 LYS C 254 8.301 -1.679 11.949 1.00 24.21 H new ATOM 0 HB3 LYS C 254 7.799 -0.222 12.783 1.00 24.21 H new ATOM 0 HG2 LYS C 254 5.446 -0.890 12.642 1.00 42.12 H new ATOM 0 HG3 LYS C 254 5.862 -2.281 11.660 1.00 42.12 H new ATOM 0 HD2 LYS C 254 6.804 -1.810 14.524 1.00 63.43 H new ATOM 0 HD3 LYS C 254 5.498 -2.882 14.056 1.00 63.43 H new ATOM 0 HE2 LYS C 254 7.101 -4.226 12.681 1.00 33.10 H new ATOM 0 HE3 LYS C 254 8.405 -3.161 13.167 1.00 33.10 H new ATOM 0 HZ1 LYS C 254 8.212 -5.262 14.458 1.00 44.11 H new ATOM 0 HZ2 LYS C 254 8.206 -3.855 15.408 1.00 44.11 H new ATOM 0 HZ3 LYS C 254 6.754 -4.684 15.109 1.00 44.11 H new ATOM 2595 N LEU C 255 9.233 0.146 9.068 1.00 61.50 N ATOM 2596 CA LEU C 255 10.474 0.760 8.579 1.00 75.54 C ATOM 2597 C LEU C 255 10.368 2.267 8.623 1.00 24.11 C ATOM 2598 O LEU C 255 9.294 2.792 8.401 1.00 40.02 O ATOM 2599 CB LEU C 255 10.726 0.328 7.154 1.00 55.11 C ATOM 2600 CG LEU C 255 11.126 -1.108 6.949 1.00 62.23 C ATOM 2601 CD1 LEU C 255 11.229 -1.407 5.468 1.00 31.43 C ATOM 2602 CD2 LEU C 255 12.455 -1.349 7.616 1.00 5.23 C ATOM 0 H LEU C 255 8.774 -0.471 8.398 1.00 61.50 H new ATOM 0 HA LEU C 255 11.296 0.438 9.218 1.00 75.54 H new ATOM 0 HB2 LEU C 255 9.822 0.516 6.575 1.00 55.11 H new ATOM 0 HB3 LEU C 255 11.508 0.963 6.738 1.00 55.11 H new ATOM 0 HG LEU C 255 10.374 -1.764 7.387 1.00 62.23 H new ATOM 0 HD11 LEU C 255 11.519 -2.448 5.326 1.00 31.43 H new ATOM 0 HD12 LEU C 255 10.264 -1.231 4.993 1.00 31.43 H new ATOM 0 HD13 LEU C 255 11.979 -0.757 5.017 1.00 31.43 H new ATOM 0 HD21 LEU C 255 12.751 -2.388 7.472 1.00 5.23 H new ATOM 0 HD22 LEU C 255 13.207 -0.693 7.177 1.00 5.23 H new ATOM 0 HD23 LEU C 255 12.370 -1.141 8.683 1.00 5.23 H new ATOM 2614 N LYS C 256 11.485 2.975 8.871 1.00 24.54 N ATOM 2615 CA LYS C 256 11.433 4.433 9.007 1.00 32.51 C ATOM 2616 C LYS C 256 10.902 5.077 7.751 1.00 45.53 C ATOM 2617 O LYS C 256 10.104 5.995 7.818 1.00 12.20 O ATOM 2618 CB LYS C 256 12.777 5.071 9.369 1.00 11.14 C ATOM 2619 CG LYS C 256 12.600 6.539 9.759 1.00 2.43 C ATOM 2620 CD LYS C 256 13.886 7.274 10.121 1.00 50.14 C ATOM 2621 CE LYS C 256 14.724 7.704 8.904 1.00 70.12 C ATOM 2622 NZ LYS C 256 15.345 6.588 8.159 1.00 61.10 N ATOM 0 H LYS C 256 12.414 2.567 8.979 1.00 24.54 H new ATOM 0 HA LYS C 256 10.755 4.616 9.840 1.00 32.51 H new ATOM 0 HB2 LYS C 256 13.232 4.524 10.195 1.00 11.14 H new ATOM 0 HB3 LYS C 256 13.459 4.996 8.522 1.00 11.14 H new ATOM 0 HG2 LYS C 256 12.121 7.063 8.932 1.00 2.43 H new ATOM 0 HG3 LYS C 256 11.918 6.593 10.608 1.00 2.43 H new ATOM 0 HD2 LYS C 256 13.635 8.158 10.707 1.00 50.14 H new ATOM 0 HD3 LYS C 256 14.493 6.631 10.758 1.00 50.14 H new ATOM 0 HE2 LYS C 256 14.088 8.269 8.223 1.00 70.12 H new ATOM 0 HE3 LYS C 256 15.510 8.380 9.241 1.00 70.12 H new ATOM 0 HZ1 LYS C 256 16.274 6.886 7.798 1.00 61.10 H new ATOM 0 HZ2 LYS C 256 15.466 5.772 8.793 1.00 61.10 H new ATOM 0 HZ3 LYS C 256 14.733 6.320 7.362 1.00 61.10 H new ATOM 2636 N TRP C 257 11.313 4.577 6.600 1.00 25.15 N ATOM 2637 CA TRP C 257 10.829 5.149 5.369 1.00 32.42 C ATOM 2638 C TRP C 257 9.351 4.844 5.165 1.00 21.21 C ATOM 2639 O TRP C 257 8.641 5.605 4.529 1.00 44.13 O ATOM 2640 CB TRP C 257 11.688 4.788 4.151 1.00 0.21 C ATOM 2641 CG TRP C 257 11.742 3.338 3.738 1.00 20.14 C ATOM 2642 CD1 TRP C 257 12.606 2.374 4.179 1.00 51.21 C ATOM 2643 CD2 TRP C 257 10.923 2.710 2.746 1.00 35.40 C ATOM 2644 NE1 TRP C 257 12.371 1.202 3.521 1.00 13.33 N ATOM 2645 CE2 TRP C 257 11.343 1.382 2.640 1.00 21.14 C ATOM 2646 CE3 TRP C 257 9.869 3.149 1.935 1.00 14.21 C ATOM 2647 CZ2 TRP C 257 10.758 0.489 1.762 1.00 43.13 C ATOM 2648 CZ3 TRP C 257 9.290 2.263 1.062 1.00 0.22 C ATOM 2649 CH2 TRP C 257 9.735 0.944 0.981 1.00 71.44 C ATOM 0 H TRP C 257 11.963 3.798 6.497 1.00 25.15 H new ATOM 0 HA TRP C 257 10.926 6.230 5.465 1.00 32.42 H new ATOM 0 HB2 TRP C 257 11.325 5.366 3.301 1.00 0.21 H new ATOM 0 HB3 TRP C 257 12.707 5.119 4.349 1.00 0.21 H new ATOM 0 HD1 TRP C 257 13.362 2.519 4.936 1.00 51.21 H new ATOM 0 HE1 TRP C 257 12.882 0.331 3.664 1.00 13.33 H new ATOM 0 HE3 TRP C 257 9.518 4.168 1.996 1.00 14.21 H new ATOM 0 HZ2 TRP C 257 11.099 -0.534 1.696 1.00 43.13 H new ATOM 0 HZ3 TRP C 257 8.479 2.592 0.429 1.00 0.22 H new ATOM 0 HH2 TRP C 257 9.260 0.268 0.285 1.00 71.44 H new ATOM 2660 N ILE C 258 8.897 3.738 5.732 1.00 12.13 N ATOM 2661 CA ILE C 258 7.492 3.382 5.714 1.00 61.10 C ATOM 2662 C ILE C 258 6.729 4.281 6.716 1.00 25.53 C ATOM 2663 O ILE C 258 5.602 4.704 6.452 1.00 70.12 O ATOM 2664 CB ILE C 258 7.274 1.870 6.051 1.00 12.24 C ATOM 2665 CG1 ILE C 258 7.924 0.958 4.975 1.00 45.42 C ATOM 2666 CG2 ILE C 258 5.790 1.560 6.177 1.00 44.33 C ATOM 2667 CD1 ILE C 258 7.308 1.100 3.611 1.00 12.21 C ATOM 0 H ILE C 258 9.492 3.065 6.216 1.00 12.13 H new ATOM 0 HA ILE C 258 7.105 3.543 4.708 1.00 61.10 H new ATOM 0 HB ILE C 258 7.757 1.667 7.007 1.00 12.24 H new ATOM 0 HG12 ILE C 258 8.987 1.189 4.910 1.00 45.42 H new ATOM 0 HG13 ILE C 258 7.843 -0.081 5.295 1.00 45.42 H new ATOM 0 HG21 ILE C 258 5.658 0.504 6.412 1.00 44.33 H new ATOM 0 HG22 ILE C 258 5.358 2.166 6.974 1.00 44.33 H new ATOM 0 HG23 ILE C 258 5.289 1.788 5.236 1.00 44.33 H new ATOM 0 HD11 ILE C 258 7.813 0.433 2.912 1.00 12.21 H new ATOM 0 HD12 ILE C 258 6.251 0.840 3.661 1.00 12.21 H new ATOM 0 HD13 ILE C 258 7.413 2.130 3.270 1.00 12.21 H new ATOM 2679 N GLN C 259 7.383 4.586 7.849 1.00 71.55 N ATOM 2680 CA GLN C 259 6.847 5.500 8.870 1.00 14.14 C ATOM 2681 C GLN C 259 6.559 6.842 8.208 1.00 60.34 C ATOM 2682 O GLN C 259 5.510 7.445 8.409 1.00 3.25 O ATOM 2683 CB GLN C 259 7.876 5.718 10.009 1.00 72.43 C ATOM 2684 CG GLN C 259 8.344 4.449 10.718 1.00 31.34 C ATOM 2685 CD GLN C 259 7.279 3.759 11.528 1.00 61.32 C ATOM 2686 OE1 GLN C 259 7.127 4.031 12.711 1.00 63.51 O ATOM 2687 NE2 GLN C 259 6.536 2.870 10.909 1.00 72.23 N ATOM 0 H GLN C 259 8.300 4.205 8.083 1.00 71.55 H new ATOM 0 HA GLN C 259 5.941 5.068 9.295 1.00 14.14 H new ATOM 0 HB2 GLN C 259 8.748 6.226 9.596 1.00 72.43 H new ATOM 0 HB3 GLN C 259 7.437 6.387 10.749 1.00 72.43 H new ATOM 0 HG2 GLN C 259 8.726 3.751 9.973 1.00 31.34 H new ATOM 0 HG3 GLN C 259 9.177 4.701 11.375 1.00 31.34 H new ATOM 0 HE21 GLN C 259 6.695 2.672 9.921 1.00 72.23 H new ATOM 0 HE22 GLN C 259 5.800 2.378 11.416 1.00 72.23 H new ATOM 2696 N GLU C 260 7.514 7.287 7.408 1.00 20.22 N ATOM 2697 CA GLU C 260 7.406 8.503 6.642 1.00 51.20 C ATOM 2698 C GLU C 260 6.309 8.365 5.585 1.00 54.44 C ATOM 2699 O GLU C 260 5.460 9.233 5.440 1.00 1.33 O ATOM 2700 CB GLU C 260 8.741 8.778 5.936 1.00 41.22 C ATOM 2701 CG GLU C 260 9.946 8.943 6.859 1.00 33.12 C ATOM 2702 CD GLU C 260 9.852 10.141 7.761 1.00 11.32 C ATOM 2703 OE1 GLU C 260 10.284 11.230 7.350 1.00 51.01 O ATOM 2704 OE2 GLU C 260 9.368 10.013 8.900 1.00 33.54 O ATOM 0 H GLU C 260 8.400 6.799 7.275 1.00 20.22 H new ATOM 0 HA GLU C 260 7.159 9.324 7.315 1.00 51.20 H new ATOM 0 HB2 GLU C 260 8.943 7.960 5.245 1.00 41.22 H new ATOM 0 HB3 GLU C 260 8.637 9.683 5.337 1.00 41.22 H new ATOM 0 HG2 GLU C 260 10.051 8.046 7.469 1.00 33.12 H new ATOM 0 HG3 GLU C 260 10.849 9.024 6.254 1.00 33.12 H new ATOM 2711 N TYR C 261 6.340 7.248 4.882 1.00 3.30 N ATOM 2712 CA TYR C 261 5.468 6.972 3.743 1.00 32.55 C ATOM 2713 C TYR C 261 3.986 7.006 4.141 1.00 15.24 C ATOM 2714 O TYR C 261 3.189 7.738 3.542 1.00 24.10 O ATOM 2715 CB TYR C 261 5.809 5.586 3.189 1.00 4.40 C ATOM 2716 CG TYR C 261 5.381 5.351 1.766 1.00 31.42 C ATOM 2717 CD1 TYR C 261 4.081 4.968 1.424 1.00 21.04 C ATOM 2718 CD2 TYR C 261 6.303 5.511 0.755 1.00 71.31 C ATOM 2719 CE1 TYR C 261 3.736 4.764 0.105 1.00 2.41 C ATOM 2720 CE2 TYR C 261 5.974 5.309 -0.551 1.00 51.22 C ATOM 2721 CZ TYR C 261 4.682 4.935 -0.882 1.00 23.42 C ATOM 2722 OH TYR C 261 4.341 4.731 -2.200 1.00 44.22 O ATOM 0 H TYR C 261 6.986 6.486 5.088 1.00 3.30 H new ATOM 0 HA TYR C 261 5.630 7.744 2.990 1.00 32.55 H new ATOM 0 HB2 TYR C 261 6.887 5.438 3.258 1.00 4.40 H new ATOM 0 HB3 TYR C 261 5.342 4.832 3.823 1.00 4.40 H new ATOM 0 HD1 TYR C 261 3.341 4.831 2.199 1.00 21.04 H new ATOM 0 HD2 TYR C 261 7.312 5.804 1.004 1.00 71.31 H new ATOM 0 HE1 TYR C 261 2.729 4.472 -0.153 1.00 2.41 H new ATOM 0 HE2 TYR C 261 6.716 5.440 -1.324 1.00 51.22 H new ATOM 0 HH TYR C 261 5.122 4.894 -2.769 1.00 44.22 H new ATOM 2732 N LEU C 262 3.636 6.230 5.150 1.00 55.24 N ATOM 2733 CA LEU C 262 2.249 6.114 5.581 1.00 32.22 C ATOM 2734 C LEU C 262 1.749 7.418 6.155 1.00 70.43 C ATOM 2735 O LEU C 262 0.702 7.920 5.751 1.00 14.52 O ATOM 2736 CB LEU C 262 2.099 5.006 6.626 1.00 24.04 C ATOM 2737 CG LEU C 262 2.572 3.614 6.216 1.00 22.41 C ATOM 2738 CD1 LEU C 262 2.368 2.627 7.351 1.00 22.41 C ATOM 2739 CD2 LEU C 262 1.869 3.135 4.953 1.00 14.50 C ATOM 0 H LEU C 262 4.293 5.667 5.690 1.00 55.24 H new ATOM 0 HA LEU C 262 1.652 5.863 4.704 1.00 32.22 H new ATOM 0 HB2 LEU C 262 2.648 5.303 7.520 1.00 24.04 H new ATOM 0 HB3 LEU C 262 1.047 4.940 6.905 1.00 24.04 H new ATOM 0 HG LEU C 262 3.638 3.676 5.996 1.00 22.41 H new ATOM 0 HD11 LEU C 262 2.711 1.640 7.041 1.00 22.41 H new ATOM 0 HD12 LEU C 262 2.937 2.952 8.222 1.00 22.41 H new ATOM 0 HD13 LEU C 262 1.309 2.580 7.606 1.00 22.41 H new ATOM 0 HD21 LEU C 262 2.230 2.141 4.690 1.00 14.50 H new ATOM 0 HD22 LEU C 262 0.794 3.096 5.128 1.00 14.50 H new ATOM 0 HD23 LEU C 262 2.079 3.825 4.136 1.00 14.50 H new ATOM 2751 N GLU C 263 2.513 7.970 7.092 1.00 72.05 N ATOM 2752 CA GLU C 263 2.152 9.205 7.757 1.00 43.52 C ATOM 2753 C GLU C 263 1.989 10.368 6.725 1.00 43.33 C ATOM 2754 O GLU C 263 1.067 11.185 6.844 1.00 50.50 O ATOM 2755 CB GLU C 263 3.227 9.492 8.814 1.00 4.15 C ATOM 2756 CG GLU C 263 2.845 10.407 9.976 1.00 63.25 C ATOM 2757 CD GLU C 263 2.656 11.878 9.643 1.00 71.13 C ATOM 2758 OE1 GLU C 263 3.657 12.636 9.644 1.00 54.41 O ATOM 2759 OE2 GLU C 263 1.515 12.304 9.418 1.00 33.02 O ATOM 0 H GLU C 263 3.397 7.570 7.407 1.00 72.05 H new ATOM 0 HA GLU C 263 1.184 9.115 8.250 1.00 43.52 H new ATOM 0 HB2 GLU C 263 3.554 8.539 9.230 1.00 4.15 H new ATOM 0 HB3 GLU C 263 4.087 9.931 8.309 1.00 4.15 H new ATOM 0 HG2 GLU C 263 1.919 10.034 10.415 1.00 63.25 H new ATOM 0 HG3 GLU C 263 3.616 10.326 10.742 1.00 63.25 H new ATOM 2766 N LYS C 264 2.835 10.401 5.682 1.00 54.15 N ATOM 2767 CA LYS C 264 2.750 11.489 4.705 1.00 63.32 C ATOM 2768 C LYS C 264 1.535 11.348 3.786 1.00 4.20 C ATOM 2769 O LYS C 264 0.931 12.331 3.396 1.00 12.33 O ATOM 2770 CB LYS C 264 4.024 11.643 3.898 1.00 41.25 C ATOM 2771 CG LYS C 264 4.225 10.667 2.786 1.00 73.35 C ATOM 2772 CD LYS C 264 5.567 10.887 2.199 1.00 11.22 C ATOM 2773 CE LYS C 264 5.746 10.128 0.907 1.00 64.02 C ATOM 2774 NZ LYS C 264 4.926 10.693 -0.197 1.00 34.01 N ATOM 0 H LYS C 264 3.562 9.709 5.500 1.00 54.15 H new ATOM 0 HA LYS C 264 2.620 12.402 5.285 1.00 63.32 H new ATOM 0 HB2 LYS C 264 4.044 12.649 3.478 1.00 41.25 H new ATOM 0 HB3 LYS C 264 4.872 11.565 4.579 1.00 41.25 H new ATOM 0 HG2 LYS C 264 4.138 9.646 3.159 1.00 73.35 H new ATOM 0 HG3 LYS C 264 3.454 10.796 2.026 1.00 73.35 H new ATOM 0 HD2 LYS C 264 5.714 11.952 2.018 1.00 11.22 H new ATOM 0 HD3 LYS C 264 6.331 10.576 2.912 1.00 11.22 H new ATOM 0 HE2 LYS C 264 6.798 10.145 0.621 1.00 64.02 H new ATOM 0 HE3 LYS C 264 5.474 9.084 1.061 1.00 64.02 H new ATOM 0 HZ1 LYS C 264 5.262 10.316 -1.106 1.00 34.01 H new ATOM 0 HZ2 LYS C 264 3.930 10.429 -0.059 1.00 34.01 H new ATOM 0 HZ3 LYS C 264 5.013 11.729 -0.198 1.00 34.01 H new ATOM 2788 N CYS C 265 1.159 10.130 3.457 1.00 60.31 N ATOM 2789 CA CYS C 265 -0.022 9.927 2.618 1.00 42.00 C ATOM 2790 C CYS C 265 -1.286 10.180 3.460 1.00 61.43 C ATOM 2791 O CYS C 265 -2.371 10.419 2.933 1.00 2.20 O ATOM 2792 CB CYS C 265 -0.013 8.503 1.980 1.00 21.41 C ATOM 2793 SG CYS C 265 -1.428 8.101 0.875 1.00 60.22 S ATOM 0 H CYS C 265 1.637 9.276 3.746 1.00 60.31 H new ATOM 0 HA CYS C 265 -0.013 10.636 1.790 1.00 42.00 H new ATOM 0 HB2 CYS C 265 0.910 8.388 1.411 1.00 21.41 H new ATOM 0 HB3 CYS C 265 0.014 7.767 2.784 1.00 21.41 H new ATOM 2798 N LEU C 266 -1.107 10.180 4.781 1.00 22.23 N ATOM 2799 CA LEU C 266 -2.173 10.386 5.703 1.00 2.11 C ATOM 2800 C LEU C 266 -2.371 11.895 5.988 1.00 3.22 C ATOM 2801 O LEU C 266 -3.408 12.462 5.648 1.00 32.42 O ATOM 2802 CB LEU C 266 -1.853 9.616 7.020 1.00 25.11 C ATOM 2803 CG LEU C 266 -3.007 9.354 8.022 1.00 72.30 C ATOM 2804 CD1 LEU C 266 -3.611 10.618 8.590 1.00 4.34 C ATOM 2805 CD2 LEU C 266 -4.061 8.571 7.341 1.00 33.24 C ATOM 0 H LEU C 266 -0.200 10.034 5.224 1.00 22.23 H new ATOM 0 HA LEU C 266 -3.101 10.008 5.274 1.00 2.11 H new ATOM 0 HB2 LEU C 266 -1.427 8.651 6.745 1.00 25.11 H new ATOM 0 HB3 LEU C 266 -1.075 10.169 7.547 1.00 25.11 H new ATOM 0 HG LEU C 266 -2.583 8.806 8.864 1.00 72.30 H new ATOM 0 HD11 LEU C 266 -4.412 10.359 9.283 1.00 4.34 H new ATOM 0 HD12 LEU C 266 -2.843 11.183 9.118 1.00 4.34 H new ATOM 0 HD13 LEU C 266 -4.015 11.225 7.779 1.00 4.34 H new ATOM 0 HD21 LEU C 266 -4.879 8.380 8.036 1.00 33.24 H new ATOM 0 HD22 LEU C 266 -4.436 9.132 6.485 1.00 33.24 H new ATOM 0 HD23 LEU C 266 -3.646 7.623 6.999 1.00 33.24 H new ATOM 2817 N ASN C 267 -1.374 12.542 6.595 1.00 13.35 N ATOM 2818 CA ASN C 267 -1.582 13.910 7.089 1.00 71.35 C ATOM 2819 C ASN C 267 -0.648 14.953 6.509 1.00 5.02 C ATOM 2820 O ASN C 267 -1.108 15.962 5.958 1.00 31.03 O ATOM 2821 CB ASN C 267 -1.526 13.941 8.619 1.00 31.44 C ATOM 2822 CG ASN C 267 -1.921 15.290 9.173 1.00 71.32 C ATOM 2823 OD1 ASN C 267 -3.094 15.543 9.446 1.00 65.34 O ATOM 2824 ND2 ASN C 267 -0.979 16.150 9.366 1.00 73.00 N ATOM 0 H ASN C 267 -0.442 12.159 6.754 1.00 13.35 H new ATOM 0 HA ASN C 267 -2.576 14.188 6.739 1.00 71.35 H new ATOM 0 HB2 ASN C 267 -2.189 13.175 9.022 1.00 31.44 H new ATOM 0 HB3 ASN C 267 -0.517 13.695 8.950 1.00 31.44 H new ATOM 0 HD21 ASN C 267 -1.198 17.067 9.754 1.00 73.00 H new ATOM 0 HD22 ASN C 267 -0.015 15.912 9.130 1.00 73.00 H new ATOM 3120 N GLY D 319 15.563 -12.884 2.585 1.00 63.13 N ATOM 3121 CA GLY D 319 15.783 -11.844 3.558 1.00 21.32 C ATOM 3122 C GLY D 319 17.194 -11.356 3.389 1.00 23.32 C ATOM 3123 O GLY D 319 18.141 -12.090 3.701 1.00 44.31 O ATOM 0 HA2 GLY D 319 15.075 -11.028 3.413 1.00 21.32 H new ATOM 0 HA3 GLY D 319 15.628 -12.225 4.567 1.00 21.32 H new ATOM 3127 N ASP D 320 17.357 -10.150 2.931 1.00 1.04 N ATOM 3128 CA ASP D 320 18.655 -9.724 2.453 1.00 5.35 C ATOM 3129 C ASP D 320 19.130 -8.422 3.056 1.00 43.23 C ATOM 3130 O ASP D 320 20.177 -8.379 3.709 1.00 43.14 O ATOM 3131 CB ASP D 320 18.540 -9.610 0.966 1.00 45.00 C ATOM 3132 CG ASP D 320 19.812 -9.208 0.268 1.00 62.00 C ATOM 3133 OD1 ASP D 320 20.648 -10.089 -0.025 1.00 14.10 O ATOM 3134 OD2 ASP D 320 19.976 -8.021 -0.045 1.00 43.11 O ATOM 0 H ASP D 320 16.622 -9.445 2.875 1.00 1.04 H new ATOM 0 HA ASP D 320 19.405 -10.456 2.754 1.00 5.35 H new ATOM 0 HB2 ASP D 320 18.209 -10.568 0.566 1.00 45.00 H new ATOM 0 HB3 ASP D 320 17.765 -8.881 0.729 1.00 45.00 H new ATOM 3163 N ASP D 322 19.219 -6.505 5.684 1.00 70.44 N ATOM 3164 CA ASP D 322 19.020 -6.577 7.141 1.00 0.00 C ATOM 3165 C ASP D 322 17.970 -7.609 7.474 1.00 53.45 C ATOM 3166 O ASP D 322 18.217 -8.561 8.207 1.00 74.43 O ATOM 3167 CB ASP D 322 18.644 -5.231 7.733 1.00 44.50 C ATOM 3168 CG ASP D 322 19.758 -4.214 7.680 1.00 4.41 C ATOM 3169 OD1 ASP D 322 20.061 -3.714 6.587 1.00 40.12 O ATOM 3170 OD2 ASP D 322 20.307 -3.868 8.728 1.00 34.34 O ATOM 0 HA ASP D 322 19.970 -6.873 7.586 1.00 0.00 H new ATOM 0 HB2 ASP D 322 17.779 -4.838 7.199 1.00 44.50 H new ATOM 0 HB3 ASP D 322 18.341 -5.372 8.771 1.00 44.50 H new ATOM 3175 N SER D 323 16.800 -7.377 6.946 1.00 11.13 N ATOM 3176 CA SER D 323 15.689 -8.261 6.979 1.00 5.00 C ATOM 3177 C SER D 323 15.058 -8.539 8.374 1.00 3.33 C ATOM 3178 O SER D 323 14.028 -9.204 8.461 1.00 43.51 O ATOM 3179 CB SER D 323 15.982 -9.500 6.106 1.00 25.51 C ATOM 3180 OG SER D 323 14.949 -10.465 6.149 1.00 31.13 O ATOM 0 H SER D 323 16.594 -6.508 6.452 1.00 11.13 H new ATOM 0 HA SER D 323 14.852 -7.731 6.524 1.00 5.00 H new ATOM 0 HB2 SER D 323 16.132 -9.183 5.074 1.00 25.51 H new ATOM 0 HB3 SER D 323 16.914 -9.959 6.437 1.00 25.51 H new ATOM 0 HG SER D 323 14.085 -10.015 6.253 1.00 31.13 H new ATOM 3186 N MET D 324 15.637 -8.023 9.453 1.00 42.14 N ATOM 3187 CA MET D 324 14.968 -8.143 10.745 1.00 40.11 C ATOM 3188 C MET D 324 15.396 -7.018 11.685 1.00 14.41 C ATOM 3189 O MET D 324 16.364 -7.152 12.436 1.00 55.35 O ATOM 3190 CB MET D 324 15.175 -9.529 11.407 1.00 41.44 C ATOM 3191 CG MET D 324 14.090 -9.911 12.437 1.00 30.03 C ATOM 3192 SD MET D 324 13.898 -8.754 13.816 1.00 71.51 S ATOM 3193 CE MET D 324 12.494 -9.472 14.671 1.00 51.33 C ATOM 0 H MET D 324 16.533 -7.536 9.464 1.00 42.14 H new ATOM 0 HA MET D 324 13.899 -8.051 10.552 1.00 40.11 H new ATOM 0 HB2 MET D 324 15.203 -10.290 10.627 1.00 41.44 H new ATOM 0 HB3 MET D 324 16.147 -9.541 11.900 1.00 41.44 H new ATOM 0 HG2 MET D 324 13.134 -9.997 11.920 1.00 30.03 H new ATOM 0 HG3 MET D 324 14.324 -10.896 12.840 1.00 30.03 H new ATOM 0 HE1 MET D 324 12.254 -8.869 15.547 1.00 51.33 H new ATOM 0 HE2 MET D 324 11.634 -9.497 14.001 1.00 51.33 H new ATOM 0 HE3 MET D 324 12.739 -10.487 14.985 1.00 51.33 H new ATOM 3203 N LYS D 325 14.713 -5.892 11.561 1.00 53.34 N ATOM 3204 CA LYS D 325 14.857 -4.712 12.401 1.00 31.42 C ATOM 3205 C LYS D 325 13.530 -3.979 12.380 1.00 10.23 C ATOM 3206 O LYS D 325 12.640 -4.368 11.612 1.00 34.41 O ATOM 3207 CB LYS D 325 15.987 -3.801 11.897 1.00 15.24 C ATOM 3208 CG LYS D 325 17.369 -4.343 12.143 1.00 45.05 C ATOM 3209 CD LYS D 325 18.430 -3.483 11.529 1.00 2.34 C ATOM 3210 CE LYS D 325 19.795 -4.021 11.894 1.00 72.32 C ATOM 3211 NZ LYS D 325 20.893 -3.295 11.244 1.00 22.33 N ATOM 0 H LYS D 325 14.007 -5.769 10.835 1.00 53.34 H new ATOM 0 HA LYS D 325 15.121 -5.006 13.417 1.00 31.42 H new ATOM 0 HB2 LYS D 325 15.858 -3.638 10.827 1.00 15.24 H new ATOM 0 HB3 LYS D 325 15.898 -2.828 12.381 1.00 15.24 H new ATOM 0 HG2 LYS D 325 17.542 -4.420 13.216 1.00 45.05 H new ATOM 0 HG3 LYS D 325 17.440 -5.352 11.736 1.00 45.05 H new ATOM 0 HD2 LYS D 325 18.314 -3.463 10.445 1.00 2.34 H new ATOM 0 HD3 LYS D 325 18.327 -2.456 11.879 1.00 2.34 H new ATOM 0 HE2 LYS D 325 19.922 -3.968 12.975 1.00 72.32 H new ATOM 0 HE3 LYS D 325 19.850 -5.074 11.618 1.00 72.32 H new ATOM 0 HZ1 LYS D 325 21.799 -3.741 11.492 1.00 22.33 H new ATOM 0 HZ2 LYS D 325 20.765 -3.323 10.212 1.00 22.33 H new ATOM 0 HZ3 LYS D 325 20.894 -2.306 11.566 1.00 22.33 H new ATOM 3225 N GLU D 326 13.375 -2.948 13.194 1.00 2.32 N ATOM 3226 CA GLU D 326 12.117 -2.222 13.239 1.00 54.13 C ATOM 3227 C GLU D 326 12.363 -0.659 13.417 1.00 1.43 C ATOM 3228 O GLU D 326 13.522 -0.238 13.319 1.00 14.12 O ATOM 3229 CB GLU D 326 11.160 -2.898 14.245 1.00 15.40 C ATOM 3230 CG GLU D 326 11.547 -2.865 15.697 1.00 10.24 C ATOM 3231 CD GLU D 326 10.539 -3.622 16.519 1.00 33.14 C ATOM 3232 OE1 GLU D 326 9.361 -3.194 16.584 1.00 63.31 O ATOM 3233 OE2 GLU D 326 10.889 -4.664 17.097 1.00 64.22 O ATOM 0 H GLU D 326 14.095 -2.598 13.826 1.00 2.32 H new ATOM 0 HA GLU D 326 11.595 -2.280 12.284 1.00 54.13 H new ATOM 0 HB2 GLU D 326 10.181 -2.428 14.147 1.00 15.40 H new ATOM 0 HB3 GLU D 326 11.044 -3.941 13.951 1.00 15.40 H new ATOM 0 HG2 GLU D 326 12.537 -3.303 15.828 1.00 10.24 H new ATOM 0 HG3 GLU D 326 11.607 -1.833 16.042 1.00 10.24 H new ATOM 3240 N PRO D 327 11.306 0.224 13.683 1.00 25.23 N ATOM 3241 CA PRO D 327 11.442 1.678 13.554 1.00 53.25 C ATOM 3242 C PRO D 327 12.302 2.361 14.582 1.00 74.54 C ATOM 3243 O PRO D 327 12.443 1.922 15.734 1.00 3.41 O ATOM 3244 CB PRO D 327 10.001 2.195 13.708 1.00 12.24 C ATOM 3245 CG PRO D 327 9.369 1.202 14.570 1.00 42.24 C ATOM 3246 CD PRO D 327 9.953 -0.107 14.164 1.00 33.44 C ATOM 0 HA PRO D 327 11.938 1.897 12.609 1.00 53.25 H new ATOM 0 HB2 PRO D 327 9.977 3.188 14.157 1.00 12.24 H new ATOM 0 HB3 PRO D 327 9.497 2.268 12.745 1.00 12.24 H new ATOM 0 HG2 PRO D 327 9.568 1.411 15.621 1.00 42.24 H new ATOM 0 HG3 PRO D 327 8.286 1.205 14.444 1.00 42.24 H new ATOM 0 HD2 PRO D 327 9.989 -0.802 15.003 1.00 33.44 H new ATOM 0 HD3 PRO D 327 9.359 -0.581 13.382 1.00 33.44 H new