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 227 LYS NZ :NH3+ -157:sc= 0 (180deg=0) USER MOD Set 1.2: C 248 GLN :FLIP amide:sc= -0.53 F(o=-1.6,f=-0.53) USER MOD Set 2.1: C 216 SER OG : rot 160:sc= 0.229 USER MOD Set 2.2: C 217 HIS : no HD1:sc= -0.411 X(o=-0.18,f=0.21) USER MOD Set 3.1: A 16 SER OG : rot 140:sc= 0.14 USER MOD Set 3.2: A 17 HIS : no HE2:sc= -0.0742 K(o=0.066,f=-2!) USER MOD Single : A 22 ASN : amide:sc= -0.0383 K(o=-0.038,f=-0.56) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 HIS :FLIP no HD1:sc= -0.698 F(o=-2.1,f=-0.7) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc=-0.00364 X(o=-0.0036,f=-0.014) USER MOD Single : A 31 THR OG1 : rot 141:sc= 0.363 USER MOD Single : A 33 ASN : amide:sc= -0.0989 X(o=-0.099,f=-0.018) USER MOD Single : A 37 GLN :FLIP amide:sc= -3.53! C(o=-4.6!,f=-3.5!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN :FLIP amide:sc= -0.0185 F(o=-1,f=-0.019) USER MOD Single : A 54 LYS NZ :NH3+ -174:sc= 1.25 (180deg=1.06) USER MOD Single : A 56 LYS NZ :NH3+ -127:sc= -0.365! (180deg=-1.21!) USER MOD Single : A 59 GLN : amide:sc= -4.07! C(o=-4.1!,f=-4.6!) USER MOD Single : A 61 TYR OH : rot 150:sc= -0.0283 USER MOD Single : A 64 LYS NZ :NH3+ 169:sc= 1.28 (180deg=1.15) USER MOD Single : A 67 ASN :FLIP amide:sc= -0.135 F(o=-1.2,f=-0.14) USER MOD Single : B 123 SER OG : rot 41:sc= 1.12 USER MOD Single : B 124 MET CE :methyl -163:sc= -0.0646 (180deg=-0.462) USER MOD Single : B 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 222 ASN :FLIP amide:sc=-0.00602 F(o=-1.6!,f=-0.006) USER MOD Single : C 224 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 225 HIS :FLIP no HD1:sc= -0.58 F(o=-1.7,f=-0.58) USER MOD Single : C 230 ASN : amide:sc= -0.0197 X(o=-0.02,f=-0.017) USER MOD Single : C 231 THR OG1 : rot 150:sc= 0.139 USER MOD Single : C 233 ASN : amide:sc= 0.306 X(o=0.31,f=-0.017) USER MOD Single : C 237 GLN : amide:sc= -3.91! C(o=-3.9!,f=-4.6!) USER MOD Single : C 243 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 254 LYS NZ :NH3+ -174:sc= 0.448 (180deg=0.327) USER MOD Single : C 256 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 259 GLN : amide:sc= 0.721 K(o=0.72,f=-1.7) USER MOD Single : C 261 TYR OH : rot 180:sc= 0 USER MOD Single : C 264 LYS NZ :NH3+ -173:sc= 2.46 (180deg=2.25) USER MOD Single : C 267 ASN :FLIP amide:sc= -0.234 F(o=-2.5!,f=-0.23) USER MOD Single : D 323 SER OG : rot 21:sc= 0.346 USER MOD Single : D 324 MET CE :methyl -161:sc= -0.168 (180deg=-0.636) USER MOD Single : D 325 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 115 N ARG A 8 1.322 10.744 -15.759 1.00 1.33 N ATOM 116 CA ARG A 8 -0.094 10.546 -15.663 1.00 54.21 C ATOM 117 C ARG A 8 -0.400 10.184 -14.213 1.00 74.15 C ATOM 118 O ARG A 8 0.510 9.825 -13.464 1.00 30.20 O ATOM 119 CB ARG A 8 -0.468 9.352 -16.558 1.00 43.12 C ATOM 120 CG ARG A 8 -1.959 9.126 -16.766 1.00 21.44 C ATOM 121 CD ARG A 8 -2.227 7.794 -17.461 1.00 13.33 C ATOM 122 NE ARG A 8 -1.426 7.611 -18.687 1.00 44.30 N ATOM 123 CZ ARG A 8 -1.671 6.685 -19.626 1.00 22.13 C ATOM 124 NH1 ARG A 8 -2.804 5.985 -19.605 1.00 74.15 N ATOM 125 NH2 ARG A 8 -0.798 6.494 -20.605 1.00 74.33 N ATOM 0 HA ARG A 8 -0.647 11.434 -15.969 1.00 54.21 H new ATOM 0 HB2 ARG A 8 -0.001 9.492 -17.533 1.00 43.12 H new ATOM 0 HB3 ARG A 8 -0.039 8.448 -16.125 1.00 43.12 H new ATOM 0 HG2 ARG A 8 -2.470 9.145 -15.803 1.00 21.44 H new ATOM 0 HG3 ARG A 8 -2.372 9.939 -17.362 1.00 21.44 H new ATOM 0 HD2 ARG A 8 -2.012 6.980 -16.769 1.00 13.33 H new ATOM 0 HD3 ARG A 8 -3.286 7.728 -17.712 1.00 13.33 H new ATOM 0 HE ARG A 8 -0.630 8.232 -18.830 1.00 44.30 H new ATOM 0 HH11 ARG A 8 -3.493 6.151 -18.871 1.00 74.15 H new ATOM 0 HH12 ARG A 8 -2.983 5.283 -20.323 1.00 74.15 H new ATOM 0 HH21 ARG A 8 0.056 7.050 -20.642 1.00 74.33 H new ATOM 0 HH22 ARG A 8 -0.980 5.791 -21.321 1.00 74.33 H new ATOM 139 N CYS A 9 -1.620 10.313 -13.802 1.00 74.22 N ATOM 140 CA CYS A 9 -2.011 9.797 -12.518 1.00 4.24 C ATOM 141 C CYS A 9 -2.648 8.450 -12.801 1.00 53.44 C ATOM 142 O CYS A 9 -3.393 8.345 -13.772 1.00 71.51 O ATOM 143 CB CYS A 9 -3.008 10.728 -11.810 1.00 25.12 C ATOM 144 SG CYS A 9 -3.469 10.174 -10.127 1.00 2.45 S ATOM 0 H CYS A 9 -2.365 10.768 -14.330 1.00 74.22 H new ATOM 0 HA CYS A 9 -1.153 9.715 -11.851 1.00 4.24 H new ATOM 0 HB2 CYS A 9 -2.577 11.727 -11.748 1.00 25.12 H new ATOM 0 HB3 CYS A 9 -3.910 10.807 -12.416 1.00 25.12 H new ATOM 149 N PRO A 10 -2.339 7.388 -12.008 1.00 61.44 N ATOM 150 CA PRO A 10 -2.867 6.041 -12.259 1.00 3.13 C ATOM 151 C PRO A 10 -4.381 6.044 -12.396 1.00 12.11 C ATOM 152 O PRO A 10 -4.916 5.695 -13.429 1.00 0.43 O ATOM 153 CB PRO A 10 -2.435 5.241 -11.027 1.00 5.52 C ATOM 154 CG PRO A 10 -1.244 5.964 -10.509 1.00 41.33 C ATOM 155 CD PRO A 10 -1.467 7.420 -10.820 1.00 10.20 C ATOM 0 HA PRO A 10 -2.493 5.622 -13.193 1.00 3.13 H new ATOM 0 HB2 PRO A 10 -3.229 5.201 -10.282 1.00 5.52 H new ATOM 0 HB3 PRO A 10 -2.191 4.211 -11.288 1.00 5.52 H new ATOM 0 HG2 PRO A 10 -1.131 5.808 -9.436 1.00 41.33 H new ATOM 0 HG3 PRO A 10 -0.332 5.600 -10.982 1.00 41.33 H new ATOM 0 HD2 PRO A 10 -1.941 7.940 -9.988 1.00 10.20 H new ATOM 0 HD3 PRO A 10 -0.528 7.935 -11.025 1.00 10.20 H new ATOM 163 N CYS A 11 -5.049 6.410 -11.349 1.00 44.12 N ATOM 164 CA CYS A 11 -6.471 6.539 -11.382 1.00 61.21 C ATOM 165 C CYS A 11 -6.855 7.989 -11.513 1.00 2.13 C ATOM 166 O CYS A 11 -6.175 8.862 -10.967 1.00 52.23 O ATOM 167 CB CYS A 11 -7.076 5.915 -10.151 1.00 11.12 C ATOM 168 SG CYS A 11 -6.663 4.152 -9.996 1.00 22.31 S ATOM 0 H CYS A 11 -4.625 6.628 -10.447 1.00 44.12 H new ATOM 0 HA CYS A 11 -6.862 6.010 -12.251 1.00 61.21 H new ATOM 0 HB2 CYS A 11 -6.725 6.447 -9.267 1.00 11.12 H new ATOM 0 HB3 CYS A 11 -8.159 6.030 -10.183 1.00 11.12 H new ATOM 173 N ARG A 12 -7.911 8.272 -12.233 1.00 50.31 N ATOM 174 CA ARG A 12 -8.360 9.634 -12.320 1.00 34.30 C ATOM 175 C ARG A 12 -9.291 9.815 -11.132 1.00 24.35 C ATOM 176 O ARG A 12 -8.963 10.492 -10.164 1.00 54.45 O ATOM 177 CB ARG A 12 -9.107 9.882 -13.657 1.00 21.52 C ATOM 178 CG ARG A 12 -9.212 11.361 -14.170 1.00 23.15 C ATOM 179 CD ARG A 12 -9.881 12.366 -13.209 1.00 71.34 C ATOM 180 NE ARG A 12 -9.029 12.736 -12.061 1.00 64.15 N ATOM 181 CZ ARG A 12 -9.466 13.329 -10.923 1.00 22.42 C ATOM 182 NH1 ARG A 12 -10.756 13.593 -10.754 1.00 11.52 N ATOM 183 NH2 ARG A 12 -8.607 13.625 -9.955 1.00 50.12 N ATOM 0 H ARG A 12 -8.464 7.593 -12.756 1.00 50.31 H new ATOM 0 HA ARG A 12 -7.532 10.343 -12.299 1.00 34.30 H new ATOM 0 HB2 ARG A 12 -8.615 9.293 -14.431 1.00 21.52 H new ATOM 0 HB3 ARG A 12 -10.119 9.490 -13.554 1.00 21.52 H new ATOM 0 HG2 ARG A 12 -8.207 11.718 -14.395 1.00 23.15 H new ATOM 0 HG3 ARG A 12 -9.768 11.360 -15.108 1.00 23.15 H new ATOM 0 HD2 ARG A 12 -10.143 13.267 -13.763 1.00 71.34 H new ATOM 0 HD3 ARG A 12 -10.812 11.938 -12.838 1.00 71.34 H new ATOM 0 HE ARG A 12 -8.033 12.529 -12.130 1.00 64.15 H new ATOM 0 HH11 ARG A 12 -11.426 13.349 -11.483 1.00 11.52 H new ATOM 0 HH12 ARG A 12 -11.077 14.039 -9.895 1.00 11.52 H new ATOM 0 HH21 ARG A 12 -7.617 13.406 -10.067 1.00 50.12 H new ATOM 0 HH22 ARG A 12 -8.937 14.071 -9.099 1.00 50.12 H new ATOM 197 N PHE A 13 -10.405 9.129 -11.171 1.00 51.04 N ATOM 198 CA PHE A 13 -11.366 9.207 -10.109 1.00 31.40 C ATOM 199 C PHE A 13 -11.174 8.033 -9.178 1.00 75.34 C ATOM 200 O PHE A 13 -10.550 7.034 -9.547 1.00 3.40 O ATOM 201 CB PHE A 13 -12.792 9.246 -10.644 1.00 11.35 C ATOM 202 CG PHE A 13 -13.102 10.418 -11.534 1.00 43.32 C ATOM 203 CD1 PHE A 13 -13.476 11.630 -10.989 1.00 30.52 C ATOM 204 CD2 PHE A 13 -13.033 10.302 -12.917 1.00 60.13 C ATOM 205 CE1 PHE A 13 -13.772 12.708 -11.796 1.00 1.14 C ATOM 206 CE2 PHE A 13 -13.327 11.378 -13.731 1.00 62.33 C ATOM 207 CZ PHE A 13 -13.697 12.585 -13.168 1.00 64.14 C ATOM 0 H PHE A 13 -10.667 8.506 -11.935 1.00 51.04 H new ATOM 0 HA PHE A 13 -11.206 10.136 -9.561 1.00 31.40 H new ATOM 0 HB2 PHE A 13 -12.982 8.327 -11.198 1.00 11.35 H new ATOM 0 HB3 PHE A 13 -13.481 9.257 -9.800 1.00 11.35 H new ATOM 0 HD1 PHE A 13 -13.538 11.735 -9.916 1.00 30.52 H new ATOM 0 HD2 PHE A 13 -12.746 9.360 -13.360 1.00 60.13 H new ATOM 0 HE1 PHE A 13 -14.063 13.649 -11.354 1.00 1.14 H new ATOM 0 HE2 PHE A 13 -13.268 11.277 -14.805 1.00 62.33 H new ATOM 0 HZ PHE A 13 -13.927 13.430 -13.801 1.00 64.14 H new ATOM 217 N PHE A 14 -11.688 8.154 -7.993 1.00 74.12 N ATOM 218 CA PHE A 14 -11.486 7.164 -6.967 1.00 4.13 C ATOM 219 C PHE A 14 -12.799 6.757 -6.346 1.00 64.51 C ATOM 220 O PHE A 14 -13.727 7.537 -6.319 1.00 12.43 O ATOM 221 CB PHE A 14 -10.571 7.748 -5.873 1.00 43.42 C ATOM 222 CG PHE A 14 -11.111 9.025 -5.236 1.00 52.01 C ATOM 223 CD1 PHE A 14 -10.811 10.260 -5.778 1.00 63.25 C ATOM 224 CD2 PHE A 14 -11.922 8.978 -4.109 1.00 65.54 C ATOM 225 CE1 PHE A 14 -11.304 11.419 -5.218 1.00 31.31 C ATOM 226 CE2 PHE A 14 -12.416 10.134 -3.542 1.00 43.04 C ATOM 227 CZ PHE A 14 -12.108 11.357 -4.098 1.00 10.41 C ATOM 0 H PHE A 14 -12.263 8.945 -7.703 1.00 74.12 H new ATOM 0 HA PHE A 14 -11.026 6.285 -7.418 1.00 4.13 H new ATOM 0 HB2 PHE A 14 -10.426 6.998 -5.095 1.00 43.42 H new ATOM 0 HB3 PHE A 14 -9.591 7.954 -6.304 1.00 43.42 H new ATOM 0 HD1 PHE A 14 -10.181 10.318 -6.653 1.00 63.25 H new ATOM 0 HD2 PHE A 14 -12.169 8.022 -3.671 1.00 65.54 H new ATOM 0 HE1 PHE A 14 -11.061 12.376 -5.656 1.00 31.31 H new ATOM 0 HE2 PHE A 14 -13.043 10.081 -2.664 1.00 43.04 H new ATOM 0 HZ PHE A 14 -12.495 12.264 -3.658 1.00 10.41 H new ATOM 237 N GLU A 15 -12.861 5.546 -5.890 1.00 22.30 N ATOM 238 CA GLU A 15 -13.945 5.044 -5.090 1.00 43.43 C ATOM 239 C GLU A 15 -13.882 5.654 -3.719 1.00 51.23 C ATOM 240 O GLU A 15 -12.807 6.034 -3.241 1.00 44.44 O ATOM 241 CB GLU A 15 -13.853 3.529 -4.933 1.00 13.30 C ATOM 242 CG GLU A 15 -14.451 2.708 -6.047 1.00 1.35 C ATOM 243 CD GLU A 15 -13.918 2.981 -7.443 1.00 73.30 C ATOM 244 OE1 GLU A 15 -12.698 2.976 -7.661 1.00 23.41 O ATOM 245 OE2 GLU A 15 -14.731 3.140 -8.349 1.00 21.41 O ATOM 0 H GLU A 15 -12.135 4.852 -6.068 1.00 22.30 H new ATOM 0 HA GLU A 15 -14.878 5.303 -5.591 1.00 43.43 H new ATOM 0 HB2 GLU A 15 -12.802 3.258 -4.833 1.00 13.30 H new ATOM 0 HB3 GLU A 15 -14.344 3.251 -4.000 1.00 13.30 H new ATOM 0 HG2 GLU A 15 -14.291 1.654 -5.819 1.00 1.35 H new ATOM 0 HG3 GLU A 15 -15.528 2.873 -6.054 1.00 1.35 H new ATOM 252 N SER A 16 -15.000 5.747 -3.077 1.00 32.00 N ATOM 253 CA SER A 16 -15.012 6.280 -1.758 1.00 33.10 C ATOM 254 C SER A 16 -15.794 5.399 -0.794 1.00 55.12 C ATOM 255 O SER A 16 -15.280 5.004 0.256 1.00 40.31 O ATOM 256 CB SER A 16 -15.456 7.734 -1.757 1.00 33.42 C ATOM 257 OG SER A 16 -16.711 7.894 -2.403 1.00 74.31 O ATOM 0 H SER A 16 -15.909 5.463 -3.442 1.00 32.00 H new ATOM 0 HA SER A 16 -13.989 6.276 -1.382 1.00 33.10 H new ATOM 0 HB2 SER A 16 -15.525 8.094 -0.730 1.00 33.42 H new ATOM 0 HB3 SER A 16 -14.706 8.345 -2.259 1.00 33.42 H new ATOM 0 HG SER A 16 -17.255 8.540 -1.906 1.00 74.31 H new ATOM 263 N HIS A 17 -17.023 5.062 -1.142 1.00 43.22 N ATOM 264 CA HIS A 17 -17.786 4.170 -0.308 1.00 35.21 C ATOM 265 C HIS A 17 -17.554 2.753 -0.733 1.00 11.43 C ATOM 266 O HIS A 17 -18.332 2.166 -1.481 1.00 33.30 O ATOM 267 CB HIS A 17 -19.279 4.505 -0.243 1.00 11.04 C ATOM 268 CG HIS A 17 -19.612 5.765 0.503 1.00 4.10 C ATOM 269 ND1 HIS A 17 -20.362 5.774 1.650 1.00 60.11 N ATOM 270 CD2 HIS A 17 -19.342 7.059 0.233 1.00 61.13 C ATOM 271 CE1 HIS A 17 -20.547 7.007 2.050 1.00 45.23 C ATOM 272 NE2 HIS A 17 -19.941 7.813 1.210 1.00 22.33 N ATOM 0 H HIS A 17 -17.501 5.389 -1.982 1.00 43.22 H new ATOM 0 HA HIS A 17 -17.426 4.304 0.712 1.00 35.21 H new ATOM 0 HB2 HIS A 17 -19.662 4.590 -1.260 1.00 11.04 H new ATOM 0 HB3 HIS A 17 -19.803 3.673 0.227 1.00 11.04 H new ATOM 0 HD1 HIS A 17 -20.722 4.944 2.122 1.00 60.11 H new ATOM 0 HD2 HIS A 17 -18.762 7.432 -0.598 1.00 61.13 H new ATOM 0 HE1 HIS A 17 -21.104 7.310 2.924 1.00 45.23 H new ATOM 281 N VAL A 18 -16.449 2.251 -0.313 1.00 4.03 N ATOM 282 CA VAL A 18 -16.001 0.930 -0.606 1.00 71.42 C ATOM 283 C VAL A 18 -15.649 0.269 0.721 1.00 64.22 C ATOM 284 O VAL A 18 -15.345 0.971 1.698 1.00 15.23 O ATOM 285 CB VAL A 18 -14.792 0.964 -1.608 1.00 64.12 C ATOM 286 CG1 VAL A 18 -13.665 1.833 -1.109 1.00 73.55 C ATOM 287 CG2 VAL A 18 -14.299 -0.439 -1.969 1.00 1.40 C ATOM 0 H VAL A 18 -15.798 2.773 0.274 1.00 4.03 H new ATOM 0 HA VAL A 18 -16.778 0.348 -1.102 1.00 71.42 H new ATOM 0 HB VAL A 18 -15.167 1.417 -2.525 1.00 64.12 H new ATOM 0 HG11 VAL A 18 -12.851 1.826 -1.834 1.00 73.55 H new ATOM 0 HG12 VAL A 18 -14.024 2.854 -0.976 1.00 73.55 H new ATOM 0 HG13 VAL A 18 -13.304 1.448 -0.155 1.00 73.55 H new ATOM 0 HG21 VAL A 18 -13.463 -0.363 -2.664 1.00 1.40 H new ATOM 0 HG22 VAL A 18 -13.974 -0.954 -1.065 1.00 1.40 H new ATOM 0 HG23 VAL A 18 -15.109 -1.000 -2.436 1.00 1.40 H new ATOM 297 N ALA A 19 -15.683 -1.036 0.778 1.00 2.30 N ATOM 298 CA ALA A 19 -15.565 -1.697 2.037 1.00 60.51 C ATOM 299 C ALA A 19 -14.204 -2.280 2.230 1.00 10.51 C ATOM 300 O ALA A 19 -13.683 -2.974 1.352 1.00 62.13 O ATOM 301 CB ALA A 19 -16.640 -2.757 2.200 1.00 63.41 C ATOM 0 H ALA A 19 -15.791 -1.652 -0.028 1.00 2.30 H new ATOM 0 HA ALA A 19 -15.710 -0.946 2.813 1.00 60.51 H new ATOM 0 HB1 ALA A 19 -16.526 -3.245 3.168 1.00 63.41 H new ATOM 0 HB2 ALA A 19 -17.623 -2.290 2.142 1.00 63.41 H new ATOM 0 HB3 ALA A 19 -16.543 -3.498 1.407 1.00 63.41 H new ATOM 307 N ARG A 20 -13.633 -2.024 3.396 1.00 11.03 N ATOM 308 CA ARG A 20 -12.325 -2.537 3.753 1.00 10.42 C ATOM 309 C ARG A 20 -12.435 -4.063 3.919 1.00 14.40 C ATOM 310 O ARG A 20 -11.463 -4.780 3.849 1.00 34.44 O ATOM 311 CB ARG A 20 -11.824 -1.844 5.070 1.00 62.14 C ATOM 312 CG ARG A 20 -12.412 -2.366 6.388 1.00 44.03 C ATOM 313 CD ARG A 20 -11.568 -3.526 6.916 1.00 43.51 C ATOM 314 NE ARG A 20 -12.177 -4.239 8.048 1.00 1.21 N ATOM 315 CZ ARG A 20 -11.751 -4.208 9.324 1.00 11.11 C ATOM 316 NH1 ARG A 20 -10.876 -3.289 9.733 1.00 1.13 N ATOM 317 NH2 ARG A 20 -12.256 -5.067 10.196 1.00 64.50 N ATOM 0 H ARG A 20 -14.067 -1.453 4.122 1.00 11.03 H new ATOM 0 HA ARG A 20 -11.596 -2.318 2.973 1.00 10.42 H new ATOM 0 HB2 ARG A 20 -10.740 -1.945 5.117 1.00 62.14 H new ATOM 0 HB3 ARG A 20 -12.042 -0.778 4.998 1.00 62.14 H new ATOM 0 HG2 ARG A 20 -12.443 -1.563 7.125 1.00 44.03 H new ATOM 0 HG3 ARG A 20 -13.439 -2.695 6.232 1.00 44.03 H new ATOM 0 HD2 ARG A 20 -11.393 -4.233 6.105 1.00 43.51 H new ATOM 0 HD3 ARG A 20 -10.594 -3.144 7.222 1.00 43.51 H new ATOM 0 HE ARG A 20 -12.998 -4.810 7.848 1.00 1.21 H new ATOM 0 HH11 ARG A 20 -10.520 -2.596 9.075 1.00 1.13 H new ATOM 0 HH12 ARG A 20 -10.563 -3.279 10.704 1.00 1.13 H new ATOM 0 HH21 ARG A 20 -12.960 -5.742 9.898 1.00 64.50 H new ATOM 0 HH22 ARG A 20 -11.941 -5.053 11.166 1.00 64.50 H new ATOM 331 N ALA A 21 -13.653 -4.515 4.175 1.00 50.32 N ATOM 332 CA ALA A 21 -13.956 -5.919 4.341 1.00 11.10 C ATOM 333 C ALA A 21 -14.169 -6.621 2.995 1.00 34.45 C ATOM 334 O ALA A 21 -14.248 -7.840 2.936 1.00 20.34 O ATOM 335 CB ALA A 21 -15.181 -6.089 5.226 1.00 51.10 C ATOM 0 H ALA A 21 -14.465 -3.906 4.274 1.00 50.32 H new ATOM 0 HA ALA A 21 -13.097 -6.388 4.821 1.00 11.10 H new ATOM 0 HB1 ALA A 21 -15.400 -7.150 5.344 1.00 51.10 H new ATOM 0 HB2 ALA A 21 -14.988 -5.647 6.204 1.00 51.10 H new ATOM 0 HB3 ALA A 21 -16.034 -5.591 4.765 1.00 51.10 H new ATOM 341 N ASN A 22 -14.286 -5.862 1.924 1.00 53.24 N ATOM 342 CA ASN A 22 -14.557 -6.471 0.619 1.00 22.12 C ATOM 343 C ASN A 22 -13.340 -6.328 -0.287 1.00 41.23 C ATOM 344 O ASN A 22 -13.274 -6.885 -1.393 1.00 54.25 O ATOM 345 CB ASN A 22 -15.796 -5.819 -0.018 1.00 71.41 C ATOM 346 CG ASN A 22 -16.262 -6.501 -1.301 1.00 13.42 C ATOM 347 OD1 ASN A 22 -16.109 -7.717 -1.481 1.00 44.33 O ATOM 348 ND2 ASN A 22 -16.839 -5.736 -2.185 1.00 64.54 N ATOM 0 H ASN A 22 -14.202 -4.846 1.919 1.00 53.24 H new ATOM 0 HA ASN A 22 -14.760 -7.534 0.753 1.00 22.12 H new ATOM 0 HB2 ASN A 22 -16.612 -5.829 0.705 1.00 71.41 H new ATOM 0 HB3 ASN A 22 -15.574 -4.774 -0.233 1.00 71.41 H new ATOM 0 HD21 ASN A 22 -17.182 -6.135 -3.059 1.00 64.54 H new ATOM 0 HD22 ASN A 22 -16.948 -4.738 -2.003 1.00 64.54 H new ATOM 355 N VAL A 23 -12.387 -5.579 0.176 1.00 31.33 N ATOM 356 CA VAL A 23 -11.185 -5.368 -0.560 1.00 71.53 C ATOM 357 C VAL A 23 -10.089 -6.330 -0.056 1.00 42.35 C ATOM 358 O VAL A 23 -10.051 -6.654 1.121 1.00 33.11 O ATOM 359 CB VAL A 23 -10.757 -3.900 -0.441 1.00 52.20 C ATOM 360 CG1 VAL A 23 -10.287 -3.536 0.956 1.00 30.41 C ATOM 361 CG2 VAL A 23 -9.759 -3.525 -1.473 1.00 41.50 C ATOM 0 H VAL A 23 -12.423 -5.098 1.075 1.00 31.33 H new ATOM 0 HA VAL A 23 -11.352 -5.581 -1.616 1.00 71.53 H new ATOM 0 HB VAL A 23 -11.653 -3.308 -0.628 1.00 52.20 H new ATOM 0 HG11 VAL A 23 -9.997 -2.486 0.980 1.00 30.41 H new ATOM 0 HG12 VAL A 23 -11.095 -3.706 1.668 1.00 30.41 H new ATOM 0 HG13 VAL A 23 -9.431 -4.155 1.225 1.00 30.41 H new ATOM 0 HG21 VAL A 23 -9.485 -2.477 -1.350 1.00 41.50 H new ATOM 0 HG22 VAL A 23 -8.871 -4.147 -1.364 1.00 41.50 H new ATOM 0 HG23 VAL A 23 -10.187 -3.675 -2.464 1.00 41.50 H new ATOM 371 N LYS A 24 -9.233 -6.805 -0.959 1.00 51.22 N ATOM 372 CA LYS A 24 -8.193 -7.759 -0.574 1.00 11.05 C ATOM 373 C LYS A 24 -6.892 -7.088 -0.212 1.00 71.04 C ATOM 374 O LYS A 24 -6.280 -7.405 0.802 1.00 0.34 O ATOM 375 CB LYS A 24 -7.938 -8.787 -1.669 1.00 12.10 C ATOM 376 CG LYS A 24 -9.136 -9.623 -1.951 1.00 61.14 C ATOM 377 CD LYS A 24 -8.864 -10.753 -2.918 1.00 11.23 C ATOM 378 CE LYS A 24 -8.512 -10.274 -4.306 1.00 24.25 C ATOM 379 NZ LYS A 24 -8.335 -11.417 -5.220 1.00 44.10 N ATOM 0 H LYS A 24 -9.237 -6.551 -1.947 1.00 51.22 H new ATOM 0 HA LYS A 24 -8.575 -8.264 0.313 1.00 11.05 H new ATOM 0 HB2 LYS A 24 -7.633 -8.274 -2.581 1.00 12.10 H new ATOM 0 HB3 LYS A 24 -7.110 -9.431 -1.373 1.00 12.10 H new ATOM 0 HG2 LYS A 24 -9.509 -10.038 -1.015 1.00 61.14 H new ATOM 0 HG3 LYS A 24 -9.925 -8.990 -2.356 1.00 61.14 H new ATOM 0 HD2 LYS A 24 -8.047 -11.364 -2.533 1.00 11.23 H new ATOM 0 HD3 LYS A 24 -9.743 -11.395 -2.974 1.00 11.23 H new ATOM 0 HE2 LYS A 24 -9.299 -9.620 -4.681 1.00 24.25 H new ATOM 0 HE3 LYS A 24 -7.596 -9.684 -4.272 1.00 24.25 H new ATOM 0 HZ1 LYS A 24 -8.093 -11.068 -6.169 1.00 44.10 H new ATOM 0 HZ2 LYS A 24 -7.568 -12.026 -4.870 1.00 44.10 H new ATOM 0 HZ3 LYS A 24 -9.218 -11.964 -5.267 1.00 44.10 H new ATOM 393 N HIS A 25 -6.439 -6.183 -1.053 1.00 75.41 N ATOM 394 CA HIS A 25 -5.180 -5.514 -0.770 1.00 52.30 C ATOM 395 C HIS A 25 -5.207 -4.110 -1.268 1.00 3.32 C ATOM 396 O HIS A 25 -6.040 -3.759 -2.109 1.00 63.13 O ATOM 397 CB HIS A 25 -3.941 -6.255 -1.385 1.00 72.13 C ATOM 398 CG HIS A 25 -3.662 -6.085 -2.886 1.00 31.02 C ATOM 399 ND1 HIS A 25 -3.374 -4.974 -3.629 1.00 50.44 N flip ATOM 400 CD2 HIS A 25 -3.536 -7.140 -3.757 1.00 40.01 C flip ATOM 401 CE1 HIS A 25 -3.085 -5.386 -4.890 1.00 51.22 C flip ATOM 402 NE2 HIS A 25 -3.180 -6.682 -4.945 1.00 43.01 N flip ATOM 0 H HIS A 25 -6.904 -5.897 -1.914 1.00 75.41 H new ATOM 0 HA HIS A 25 -5.068 -5.526 0.314 1.00 52.30 H new ATOM 0 HB2 HIS A 25 -3.054 -5.926 -0.843 1.00 72.13 H new ATOM 0 HB3 HIS A 25 -4.059 -7.320 -1.187 1.00 72.13 H new ATOM 0 HD2 HIS A 25 -3.701 -8.178 -3.510 1.00 40.01 H new ATOM 0 HE1 HIS A 25 -2.819 -4.741 -5.715 1.00 51.22 H new ATOM 0 HE2 HIS A 25 -3.007 -7.253 -5.772 1.00 43.01 H new ATOM 411 N LEU A 26 -4.252 -3.342 -0.822 1.00 60.10 N ATOM 412 CA LEU A 26 -4.103 -1.975 -1.268 1.00 50.42 C ATOM 413 C LEU A 26 -2.785 -1.852 -1.980 1.00 32.54 C ATOM 414 O LEU A 26 -1.776 -2.307 -1.486 1.00 1.44 O ATOM 415 CB LEU A 26 -4.138 -0.967 -0.096 1.00 5.21 C ATOM 416 CG LEU A 26 -5.471 -0.753 0.655 1.00 23.11 C ATOM 417 CD1 LEU A 26 -5.945 -2.006 1.376 1.00 40.20 C ATOM 418 CD2 LEU A 26 -5.326 0.392 1.628 1.00 64.31 C ATOM 0 H LEU A 26 -3.554 -3.640 -0.141 1.00 60.10 H new ATOM 0 HA LEU A 26 -4.938 -1.739 -1.927 1.00 50.42 H new ATOM 0 HB2 LEU A 26 -3.393 -1.283 0.635 1.00 5.21 H new ATOM 0 HB3 LEU A 26 -3.816 0.000 -0.482 1.00 5.21 H new ATOM 0 HG LEU A 26 -6.232 -0.514 -0.088 1.00 23.11 H new ATOM 0 HD11 LEU A 26 -6.885 -1.798 1.886 1.00 40.20 H new ATOM 0 HD12 LEU A 26 -6.094 -2.808 0.653 1.00 40.20 H new ATOM 0 HD13 LEU A 26 -5.195 -2.311 2.106 1.00 40.20 H new ATOM 0 HD21 LEU A 26 -6.267 0.542 2.157 1.00 64.31 H new ATOM 0 HD22 LEU A 26 -4.539 0.162 2.346 1.00 64.31 H new ATOM 0 HD23 LEU A 26 -5.067 1.301 1.085 1.00 64.31 H new ATOM 430 N LYS A 27 -2.799 -1.292 -3.142 1.00 13.14 N ATOM 431 CA LYS A 27 -1.589 -1.100 -3.893 1.00 44.13 C ATOM 432 C LYS A 27 -1.401 0.386 -4.104 1.00 23.35 C ATOM 433 O LYS A 27 -2.213 1.031 -4.737 1.00 4.44 O ATOM 434 CB LYS A 27 -1.653 -1.892 -5.226 1.00 31.43 C ATOM 435 CG LYS A 27 -0.412 -1.778 -6.099 1.00 23.52 C ATOM 436 CD LYS A 27 -0.463 -2.697 -7.334 1.00 60.52 C ATOM 437 CE LYS A 27 -1.674 -2.431 -8.213 1.00 60.13 C ATOM 438 NZ LYS A 27 -1.672 -3.254 -9.458 1.00 20.32 N ATOM 0 H LYS A 27 -3.643 -0.953 -3.604 1.00 13.14 H new ATOM 0 HA LYS A 27 -0.725 -1.485 -3.351 1.00 44.13 H new ATOM 0 HB2 LYS A 27 -1.824 -2.944 -4.999 1.00 31.43 H new ATOM 0 HB3 LYS A 27 -2.514 -1.545 -5.797 1.00 31.43 H new ATOM 0 HG2 LYS A 27 -0.297 -0.744 -6.426 1.00 23.52 H new ATOM 0 HG3 LYS A 27 0.468 -2.024 -5.505 1.00 23.52 H new ATOM 0 HD2 LYS A 27 0.445 -2.560 -7.922 1.00 60.52 H new ATOM 0 HD3 LYS A 27 -0.477 -3.737 -7.008 1.00 60.52 H new ATOM 0 HE2 LYS A 27 -2.582 -2.638 -7.647 1.00 60.13 H new ATOM 0 HE3 LYS A 27 -1.699 -1.375 -8.480 1.00 60.13 H new ATOM 0 HZ1 LYS A 27 -2.518 -3.034 -10.021 1.00 20.32 H new ATOM 0 HZ2 LYS A 27 -0.820 -3.039 -10.015 1.00 20.32 H new ATOM 0 HZ3 LYS A 27 -1.676 -4.263 -9.207 1.00 20.32 H new ATOM 452 N ILE A 28 -0.339 0.907 -3.580 1.00 31.21 N ATOM 453 CA ILE A 28 -0.114 2.327 -3.563 1.00 60.55 C ATOM 454 C ILE A 28 0.987 2.698 -4.544 1.00 64.13 C ATOM 455 O ILE A 28 2.081 2.102 -4.527 1.00 42.31 O ATOM 456 CB ILE A 28 0.297 2.799 -2.139 1.00 14.14 C ATOM 457 CG1 ILE A 28 -0.707 2.293 -1.088 1.00 35.34 C ATOM 458 CG2 ILE A 28 0.366 4.318 -2.100 1.00 1.24 C ATOM 459 CD1 ILE A 28 -0.346 2.651 0.342 1.00 33.02 C ATOM 0 H ILE A 28 0.406 0.360 -3.147 1.00 31.21 H new ATOM 0 HA ILE A 28 -1.043 2.819 -3.852 1.00 60.55 H new ATOM 0 HB ILE A 28 1.278 2.386 -1.906 1.00 14.14 H new ATOM 0 HG12 ILE A 28 -1.691 2.703 -1.316 1.00 35.34 H new ATOM 0 HG13 ILE A 28 -0.786 1.209 -1.170 1.00 35.34 H new ATOM 0 HG21 ILE A 28 0.654 4.644 -1.100 1.00 1.24 H new ATOM 0 HG22 ILE A 28 1.104 4.667 -2.822 1.00 1.24 H new ATOM 0 HG23 ILE A 28 -0.611 4.733 -2.349 1.00 1.24 H new ATOM 0 HD11 ILE A 28 -1.105 2.257 1.018 1.00 33.02 H new ATOM 0 HD12 ILE A 28 0.623 2.218 0.592 1.00 33.02 H new ATOM 0 HD13 ILE A 28 -0.296 3.735 0.444 1.00 33.02 H new ATOM 471 N LEU A 29 0.700 3.661 -5.393 1.00 12.52 N ATOM 472 CA LEU A 29 1.656 4.141 -6.360 1.00 51.53 C ATOM 473 C LEU A 29 1.734 5.645 -6.303 1.00 12.00 C ATOM 474 O LEU A 29 0.741 6.322 -6.045 1.00 55.54 O ATOM 475 CB LEU A 29 1.320 3.736 -7.817 1.00 55.13 C ATOM 476 CG LEU A 29 1.270 2.245 -8.182 1.00 14.24 C ATOM 477 CD1 LEU A 29 0.014 1.559 -7.669 1.00 34.40 C ATOM 478 CD2 LEU A 29 1.423 2.062 -9.670 1.00 24.40 C ATOM 0 H LEU A 29 -0.204 4.132 -5.430 1.00 12.52 H new ATOM 0 HA LEU A 29 2.606 3.678 -6.094 1.00 51.53 H new ATOM 0 HB2 LEU A 29 0.350 4.168 -8.063 1.00 55.13 H new ATOM 0 HB3 LEU A 29 2.055 4.210 -8.468 1.00 55.13 H new ATOM 0 HG LEU A 29 2.109 1.762 -7.682 1.00 14.24 H new ATOM 0 HD11 LEU A 29 0.031 0.507 -7.955 1.00 34.40 H new ATOM 0 HD12 LEU A 29 -0.026 1.639 -6.583 1.00 34.40 H new ATOM 0 HD13 LEU A 29 -0.865 2.038 -8.101 1.00 34.40 H new ATOM 0 HD21 LEU A 29 1.385 1.000 -9.912 1.00 24.40 H new ATOM 0 HD22 LEU A 29 0.614 2.580 -10.185 1.00 24.40 H new ATOM 0 HD23 LEU A 29 2.380 2.473 -9.991 1.00 24.40 H new ATOM 490 N ASN A 30 2.902 6.160 -6.517 1.00 40.34 N ATOM 491 CA ASN A 30 3.098 7.581 -6.597 1.00 11.22 C ATOM 492 C ASN A 30 3.741 7.906 -7.929 1.00 72.32 C ATOM 493 O ASN A 30 4.889 7.514 -8.182 1.00 21.44 O ATOM 494 CB ASN A 30 3.953 8.080 -5.432 1.00 44.32 C ATOM 495 CG ASN A 30 4.206 9.578 -5.479 1.00 73.01 C ATOM 496 OD1 ASN A 30 5.184 10.037 -6.065 1.00 70.52 O ATOM 497 ND2 ASN A 30 3.337 10.344 -4.871 1.00 32.14 N ATOM 0 H ASN A 30 3.752 5.610 -6.642 1.00 40.34 H new ATOM 0 HA ASN A 30 2.136 8.089 -6.527 1.00 11.22 H new ATOM 0 HB2 ASN A 30 3.459 7.830 -4.493 1.00 44.32 H new ATOM 0 HB3 ASN A 30 4.908 7.555 -5.439 1.00 44.32 H new ATOM 0 HD21 ASN A 30 3.460 11.357 -4.874 1.00 32.14 H new ATOM 0 HD22 ASN A 30 2.537 9.929 -4.394 1.00 32.14 H new ATOM 504 N THR A 31 3.009 8.561 -8.791 1.00 33.53 N ATOM 505 CA THR A 31 3.516 8.913 -10.087 1.00 54.13 C ATOM 506 C THR A 31 3.994 10.361 -10.082 1.00 60.00 C ATOM 507 O THR A 31 3.492 11.170 -9.303 1.00 21.03 O ATOM 508 CB THR A 31 2.440 8.700 -11.181 1.00 51.24 C ATOM 509 OG1 THR A 31 1.249 9.426 -10.858 1.00 53.13 O ATOM 510 CG2 THR A 31 2.105 7.226 -11.337 1.00 35.34 C ATOM 0 H THR A 31 2.051 8.863 -8.615 1.00 33.53 H new ATOM 0 HA THR A 31 4.359 8.262 -10.317 1.00 54.13 H new ATOM 0 HB THR A 31 2.846 9.070 -12.123 1.00 51.24 H new ATOM 0 HG1 THR A 31 0.869 9.812 -11.675 1.00 53.13 H new ATOM 0 HG21 THR A 31 1.347 7.105 -12.111 1.00 35.34 H new ATOM 0 HG22 THR A 31 3.003 6.677 -11.619 1.00 35.34 H new ATOM 0 HG23 THR A 31 1.724 6.838 -10.393 1.00 35.34 H new ATOM 518 N PRO A 32 4.953 10.722 -10.958 1.00 21.33 N ATOM 519 CA PRO A 32 5.533 12.091 -11.017 1.00 41.25 C ATOM 520 C PRO A 32 4.570 13.125 -11.635 1.00 32.13 C ATOM 521 O PRO A 32 4.996 14.105 -12.258 1.00 34.02 O ATOM 522 CB PRO A 32 6.749 11.895 -11.927 1.00 24.34 C ATOM 523 CG PRO A 32 6.371 10.764 -12.818 1.00 14.35 C ATOM 524 CD PRO A 32 5.567 9.828 -11.971 1.00 3.02 C ATOM 0 HA PRO A 32 5.761 12.483 -10.026 1.00 41.25 H new ATOM 0 HB2 PRO A 32 6.965 12.797 -12.500 1.00 24.34 H new ATOM 0 HB3 PRO A 32 7.644 11.663 -11.349 1.00 24.34 H new ATOM 0 HG2 PRO A 32 5.791 11.116 -13.671 1.00 14.35 H new ATOM 0 HG3 PRO A 32 7.256 10.268 -13.217 1.00 14.35 H new ATOM 0 HD2 PRO A 32 4.811 9.305 -12.557 1.00 3.02 H new ATOM 0 HD3 PRO A 32 6.194 9.066 -11.507 1.00 3.02 H new ATOM 532 N ASN A 33 3.291 12.915 -11.434 1.00 3.30 N ATOM 533 CA ASN A 33 2.270 13.796 -11.959 1.00 4.25 C ATOM 534 C ASN A 33 1.067 13.805 -11.017 1.00 55.14 C ATOM 535 O ASN A 33 0.132 14.577 -11.186 1.00 70.12 O ATOM 536 CB ASN A 33 1.838 13.299 -13.354 1.00 75.54 C ATOM 537 CG ASN A 33 0.884 14.239 -14.091 1.00 53.41 C ATOM 538 OD1 ASN A 33 1.319 15.118 -14.813 1.00 63.52 O ATOM 539 ND2 ASN A 33 -0.407 14.040 -13.944 1.00 13.30 N ATOM 0 H ASN A 33 2.926 12.126 -10.900 1.00 3.30 H new ATOM 0 HA ASN A 33 2.666 14.808 -12.041 1.00 4.25 H new ATOM 0 HB2 ASN A 33 2.728 13.151 -13.966 1.00 75.54 H new ATOM 0 HB3 ASN A 33 1.359 12.325 -13.248 1.00 75.54 H new ATOM 0 HD21 ASN A 33 -1.074 14.630 -14.442 1.00 13.30 H new ATOM 0 HD22 ASN A 33 -0.742 13.296 -13.332 1.00 13.30 H new ATOM 546 N CYS A 34 1.102 12.973 -10.003 1.00 40.41 N ATOM 547 CA CYS A 34 -0.041 12.827 -9.147 1.00 51.44 C ATOM 548 C CYS A 34 0.426 12.660 -7.729 1.00 60.55 C ATOM 549 O CYS A 34 1.601 12.343 -7.487 1.00 33.42 O ATOM 550 CB CYS A 34 -0.854 11.588 -9.573 1.00 44.12 C ATOM 551 SG CYS A 34 -2.513 11.440 -8.849 1.00 44.34 S ATOM 0 H CYS A 34 1.904 12.393 -9.756 1.00 40.41 H new ATOM 0 HA CYS A 34 -0.672 13.712 -9.225 1.00 51.44 H new ATOM 0 HB2 CYS A 34 -0.952 11.597 -10.659 1.00 44.12 H new ATOM 0 HB3 CYS A 34 -0.284 10.696 -9.312 1.00 44.12 H new ATOM 556 N ALA A 35 -0.463 12.898 -6.795 1.00 43.31 N ATOM 557 CA ALA A 35 -0.186 12.688 -5.399 1.00 74.25 C ATOM 558 C ALA A 35 -0.142 11.179 -5.108 1.00 71.14 C ATOM 559 O ALA A 35 -0.128 10.348 -6.037 1.00 60.30 O ATOM 560 CB ALA A 35 -1.273 13.358 -4.561 1.00 45.15 C ATOM 0 H ALA A 35 -1.403 13.245 -6.986 1.00 43.31 H new ATOM 0 HA ALA A 35 0.779 13.125 -5.143 1.00 74.25 H new ATOM 0 HB1 ALA A 35 -1.065 13.200 -3.503 1.00 45.15 H new ATOM 0 HB2 ALA A 35 -1.288 14.427 -4.772 1.00 45.15 H new ATOM 0 HB3 ALA A 35 -2.242 12.925 -4.809 1.00 45.15 H new ATOM 566 N CYS A 36 -0.096 10.828 -3.844 1.00 41.32 N ATOM 567 CA CYS A 36 -0.119 9.437 -3.443 1.00 43.20 C ATOM 568 C CYS A 36 -1.441 8.819 -3.947 1.00 45.15 C ATOM 569 O CYS A 36 -2.511 9.382 -3.729 1.00 43.52 O ATOM 570 CB CYS A 36 -0.012 9.351 -1.913 1.00 3.14 C ATOM 571 SG CYS A 36 0.215 7.675 -1.245 1.00 64.42 S ATOM 0 H CYS A 36 -0.042 11.490 -3.070 1.00 41.32 H new ATOM 0 HA CYS A 36 0.720 8.888 -3.870 1.00 43.20 H new ATOM 0 HB2 CYS A 36 0.824 9.971 -1.588 1.00 3.14 H new ATOM 0 HB3 CYS A 36 -0.915 9.779 -1.477 1.00 3.14 H new ATOM 576 N GLN A 37 -1.356 7.716 -4.652 1.00 63.51 N ATOM 577 CA GLN A 37 -2.520 7.096 -5.255 1.00 21.00 C ATOM 578 C GLN A 37 -2.637 5.682 -4.747 1.00 54.44 C ATOM 579 O GLN A 37 -1.630 4.990 -4.627 1.00 2.22 O ATOM 580 CB GLN A 37 -2.331 7.035 -6.777 1.00 64.11 C ATOM 581 CG GLN A 37 -3.577 6.616 -7.551 1.00 1.12 C ATOM 582 CD GLN A 37 -4.654 7.680 -7.531 1.00 53.21 C ATOM 583 OE1 GLN A 37 -4.238 8.919 -7.496 1.00 3.15 O flip ATOM 584 NE2 GLN A 37 -5.845 7.383 -7.573 1.00 44.43 N flip ATOM 0 H GLN A 37 -0.481 7.221 -4.826 1.00 63.51 H new ATOM 0 HA GLN A 37 -3.410 7.674 -5.005 1.00 21.00 H new ATOM 0 HB2 GLN A 37 -2.011 8.015 -7.131 1.00 64.11 H new ATOM 0 HB3 GLN A 37 -1.526 6.336 -7.003 1.00 64.11 H new ATOM 0 HG2 GLN A 37 -3.304 6.399 -8.584 1.00 1.12 H new ATOM 0 HG3 GLN A 37 -3.973 5.694 -7.125 1.00 1.12 H new ATOM 0 HE21 GLN A 37 -6.126 6.403 -7.599 1.00 44.43 H new ATOM 0 HE22 GLN A 37 -6.554 8.117 -7.582 1.00 44.43 H new ATOM 593 N ILE A 38 -3.834 5.238 -4.456 1.00 41.15 N ATOM 594 CA ILE A 38 -4.011 3.885 -4.010 1.00 40.13 C ATOM 595 C ILE A 38 -4.988 3.183 -4.933 1.00 52.10 C ATOM 596 O ILE A 38 -6.033 3.742 -5.291 1.00 60.12 O ATOM 597 CB ILE A 38 -4.547 3.795 -2.555 1.00 32.44 C ATOM 598 CG1 ILE A 38 -3.720 4.685 -1.622 1.00 44.44 C ATOM 599 CG2 ILE A 38 -4.484 2.344 -2.070 1.00 32.44 C ATOM 600 CD1 ILE A 38 -4.106 4.578 -0.167 1.00 72.35 C ATOM 0 H ILE A 38 -4.690 5.789 -4.520 1.00 41.15 H new ATOM 0 HA ILE A 38 -3.031 3.408 -4.030 1.00 40.13 H new ATOM 0 HB ILE A 38 -5.581 4.140 -2.543 1.00 32.44 H new ATOM 0 HG12 ILE A 38 -2.667 4.424 -1.728 1.00 44.44 H new ATOM 0 HG13 ILE A 38 -3.825 5.722 -1.939 1.00 44.44 H new ATOM 0 HG21 ILE A 38 -4.861 2.285 -1.049 1.00 32.44 H new ATOM 0 HG22 ILE A 38 -5.095 1.717 -2.719 1.00 32.44 H new ATOM 0 HG23 ILE A 38 -3.451 1.996 -2.096 1.00 32.44 H new ATOM 0 HD11 ILE A 38 -3.474 5.239 0.427 1.00 72.35 H new ATOM 0 HD12 ILE A 38 -5.150 4.868 -0.045 1.00 72.35 H new ATOM 0 HD13 ILE A 38 -3.974 3.550 0.170 1.00 72.35 H new ATOM 612 N VAL A 39 -4.641 2.002 -5.338 1.00 41.32 N ATOM 613 CA VAL A 39 -5.477 1.189 -6.164 1.00 1.02 C ATOM 614 C VAL A 39 -5.686 -0.138 -5.438 1.00 23.23 C ATOM 615 O VAL A 39 -4.728 -0.750 -4.972 1.00 52.20 O ATOM 616 CB VAL A 39 -4.823 0.926 -7.538 1.00 4.32 C ATOM 617 CG1 VAL A 39 -5.775 0.169 -8.431 1.00 74.42 C ATOM 618 CG2 VAL A 39 -4.373 2.230 -8.199 1.00 3.10 C ATOM 0 H VAL A 39 -3.750 1.567 -5.099 1.00 41.32 H new ATOM 0 HA VAL A 39 -6.423 1.700 -6.342 1.00 1.02 H new ATOM 0 HB VAL A 39 -3.933 0.316 -7.381 1.00 4.32 H new ATOM 0 HG11 VAL A 39 -5.303 -0.011 -9.397 1.00 74.42 H new ATOM 0 HG12 VAL A 39 -6.028 -0.785 -7.968 1.00 74.42 H new ATOM 0 HG13 VAL A 39 -6.683 0.755 -8.574 1.00 74.42 H new ATOM 0 HG21 VAL A 39 -3.917 2.010 -9.164 1.00 3.10 H new ATOM 0 HG22 VAL A 39 -5.235 2.880 -8.345 1.00 3.10 H new ATOM 0 HG23 VAL A 39 -3.646 2.730 -7.559 1.00 3.10 H new ATOM 628 N ALA A 40 -6.899 -0.582 -5.334 1.00 72.43 N ATOM 629 CA ALA A 40 -7.191 -1.756 -4.567 1.00 62.41 C ATOM 630 C ALA A 40 -7.924 -2.813 -5.360 1.00 5.22 C ATOM 631 O ALA A 40 -8.736 -2.516 -6.236 1.00 62.20 O ATOM 632 CB ALA A 40 -7.976 -1.391 -3.337 1.00 65.34 C ATOM 0 H ALA A 40 -7.710 -0.147 -5.774 1.00 72.43 H new ATOM 0 HA ALA A 40 -6.233 -2.189 -4.278 1.00 62.41 H new ATOM 0 HB1 ALA A 40 -8.192 -2.292 -2.762 1.00 65.34 H new ATOM 0 HB2 ALA A 40 -7.394 -0.701 -2.726 1.00 65.34 H new ATOM 0 HB3 ALA A 40 -8.912 -0.915 -3.630 1.00 65.34 H new ATOM 638 N ARG A 41 -7.626 -4.048 -5.047 1.00 15.41 N ATOM 639 CA ARG A 41 -8.259 -5.178 -5.681 1.00 70.14 C ATOM 640 C ARG A 41 -9.322 -5.730 -4.752 1.00 13.11 C ATOM 641 O ARG A 41 -8.993 -6.239 -3.672 1.00 22.41 O ATOM 642 CB ARG A 41 -7.240 -6.301 -5.956 1.00 20.31 C ATOM 643 CG ARG A 41 -6.076 -5.950 -6.875 1.00 34.32 C ATOM 644 CD ARG A 41 -6.526 -5.558 -8.272 1.00 14.54 C ATOM 645 NE ARG A 41 -7.339 -6.597 -8.922 1.00 3.03 N ATOM 646 CZ ARG A 41 -7.415 -6.808 -10.248 1.00 43.34 C ATOM 647 NH1 ARG A 41 -6.659 -6.094 -11.097 1.00 41.45 N ATOM 648 NH2 ARG A 41 -8.239 -7.730 -10.718 1.00 70.43 N ATOM 0 H ARG A 41 -6.934 -4.300 -4.342 1.00 15.41 H new ATOM 0 HA ARG A 41 -8.690 -4.844 -6.625 1.00 70.14 H new ATOM 0 HB2 ARG A 41 -6.833 -6.634 -5.001 1.00 20.31 H new ATOM 0 HB3 ARG A 41 -7.773 -7.148 -6.388 1.00 20.31 H new ATOM 0 HG2 ARG A 41 -5.508 -5.129 -6.437 1.00 34.32 H new ATOM 0 HG3 ARG A 41 -5.402 -6.804 -6.942 1.00 34.32 H new ATOM 0 HD2 ARG A 41 -7.102 -4.634 -8.217 1.00 14.54 H new ATOM 0 HD3 ARG A 41 -5.650 -5.352 -8.886 1.00 14.54 H new ATOM 0 HE ARG A 41 -7.890 -7.207 -8.318 1.00 3.03 H new ATOM 0 HH11 ARG A 41 -6.020 -5.385 -10.738 1.00 41.45 H new ATOM 0 HH12 ARG A 41 -6.723 -6.261 -12.101 1.00 41.45 H new ATOM 0 HH21 ARG A 41 -8.813 -8.277 -10.076 1.00 70.43 H new ATOM 0 HH22 ARG A 41 -8.301 -7.894 -11.723 1.00 70.43 H new ATOM 662 N LEU A 42 -10.576 -5.590 -5.135 1.00 31.12 N ATOM 663 CA LEU A 42 -11.675 -6.178 -4.395 1.00 62.31 C ATOM 664 C LEU A 42 -11.635 -7.699 -4.536 1.00 4.34 C ATOM 665 O LEU A 42 -11.031 -8.226 -5.492 1.00 24.41 O ATOM 666 CB LEU A 42 -13.021 -5.627 -4.908 1.00 34.43 C ATOM 667 CG LEU A 42 -13.240 -4.112 -4.759 1.00 15.42 C ATOM 668 CD1 LEU A 42 -14.538 -3.683 -5.423 1.00 15.11 C ATOM 669 CD2 LEU A 42 -13.254 -3.718 -3.294 1.00 44.55 C ATOM 0 H LEU A 42 -10.861 -5.068 -5.964 1.00 31.12 H new ATOM 0 HA LEU A 42 -11.575 -5.916 -3.342 1.00 62.31 H new ATOM 0 HB2 LEU A 42 -13.116 -5.884 -5.963 1.00 34.43 H new ATOM 0 HB3 LEU A 42 -13.824 -6.142 -4.381 1.00 34.43 H new ATOM 0 HG LEU A 42 -12.413 -3.604 -5.254 1.00 15.42 H new ATOM 0 HD11 LEU A 42 -14.670 -2.608 -5.304 1.00 15.11 H new ATOM 0 HD12 LEU A 42 -14.502 -3.929 -6.484 1.00 15.11 H new ATOM 0 HD13 LEU A 42 -15.374 -4.205 -4.958 1.00 15.11 H new ATOM 0 HD21 LEU A 42 -13.410 -2.643 -3.208 1.00 44.55 H new ATOM 0 HD22 LEU A 42 -14.061 -4.244 -2.784 1.00 44.55 H new ATOM 0 HD23 LEU A 42 -12.301 -3.984 -2.837 1.00 44.55 H new ATOM 681 N LYS A 43 -12.230 -8.400 -3.580 1.00 4.22 N ATOM 682 CA LYS A 43 -12.307 -9.856 -3.600 1.00 62.22 C ATOM 683 C LYS A 43 -12.964 -10.368 -4.877 1.00 3.22 C ATOM 684 O LYS A 43 -13.707 -9.623 -5.544 1.00 64.10 O ATOM 685 CB LYS A 43 -13.058 -10.311 -2.381 1.00 51.33 C ATOM 686 CG LYS A 43 -12.348 -9.945 -1.100 1.00 11.34 C ATOM 687 CD LYS A 43 -13.223 -10.116 0.095 1.00 33.32 C ATOM 688 CE LYS A 43 -13.708 -11.551 0.262 1.00 44.52 C ATOM 689 NZ LYS A 43 -14.631 -11.688 1.399 1.00 35.41 N ATOM 0 H LYS A 43 -12.674 -7.974 -2.766 1.00 4.22 H new ATOM 0 HA LYS A 43 -11.299 -10.269 -3.586 1.00 62.22 H new ATOM 0 HB2 LYS A 43 -14.053 -9.865 -2.382 1.00 51.33 H new ATOM 0 HB3 LYS A 43 -13.193 -11.392 -2.423 1.00 51.33 H new ATOM 0 HG2 LYS A 43 -11.459 -10.565 -0.989 1.00 11.34 H new ATOM 0 HG3 LYS A 43 -12.010 -8.910 -1.156 1.00 11.34 H new ATOM 0 HD2 LYS A 43 -12.676 -9.814 0.988 1.00 33.32 H new ATOM 0 HD3 LYS A 43 -14.084 -9.453 0.009 1.00 33.32 H new ATOM 0 HE2 LYS A 43 -14.207 -11.875 -0.652 1.00 44.52 H new ATOM 0 HE3 LYS A 43 -12.852 -12.209 0.408 1.00 44.52 H new ATOM 0 HZ1 LYS A 43 -14.938 -12.678 1.479 1.00 35.41 H new ATOM 0 HZ2 LYS A 43 -14.148 -11.403 2.275 1.00 35.41 H new ATOM 0 HZ3 LYS A 43 -15.461 -11.079 1.248 1.00 35.41 H new ATOM 745 N ARG A 47 -14.694 -5.705 -8.947 1.00 41.10 N ATOM 746 CA ARG A 47 -13.657 -5.232 -9.844 1.00 22.25 C ATOM 747 C ARG A 47 -12.447 -4.680 -9.068 1.00 41.33 C ATOM 748 O ARG A 47 -12.291 -4.911 -7.871 1.00 54.22 O ATOM 749 CB ARG A 47 -14.255 -4.111 -10.700 1.00 70.22 C ATOM 750 CG ARG A 47 -14.529 -2.811 -9.934 1.00 75.13 C ATOM 751 CD ARG A 47 -15.241 -1.822 -10.806 1.00 44.23 C ATOM 752 NE ARG A 47 -15.320 -0.477 -10.212 1.00 50.04 N ATOM 753 CZ ARG A 47 -16.012 0.532 -10.755 1.00 0.11 C ATOM 754 NH1 ARG A 47 -16.768 0.308 -11.824 1.00 2.15 N ATOM 755 NH2 ARG A 47 -15.956 1.756 -10.235 1.00 32.01 N ATOM 0 HA ARG A 47 -13.309 -6.063 -10.457 1.00 22.25 H new ATOM 0 HB2 ARG A 47 -13.575 -3.897 -11.524 1.00 70.22 H new ATOM 0 HB3 ARG A 47 -15.188 -4.464 -11.140 1.00 70.22 H new ATOM 0 HG2 ARG A 47 -15.131 -3.024 -9.050 1.00 75.13 H new ATOM 0 HG3 ARG A 47 -13.589 -2.384 -9.584 1.00 75.13 H new ATOM 0 HD2 ARG A 47 -14.729 -1.759 -11.766 1.00 44.23 H new ATOM 0 HD3 ARG A 47 -16.250 -2.184 -11.006 1.00 44.23 H new ATOM 0 HE ARG A 47 -14.820 -0.305 -9.340 1.00 50.04 H new ATOM 0 HH11 ARG A 47 -16.819 -0.628 -12.226 1.00 2.15 H new ATOM 0 HH12 ARG A 47 -17.298 1.072 -12.243 1.00 2.15 H new ATOM 0 HH21 ARG A 47 -15.380 1.935 -9.412 1.00 32.01 H new ATOM 0 HH22 ARG A 47 -16.489 2.515 -10.659 1.00 32.01 H new ATOM 769 N GLN A 48 -11.603 -3.959 -9.771 1.00 33.41 N ATOM 770 CA GLN A 48 -10.501 -3.266 -9.175 1.00 72.14 C ATOM 771 C GLN A 48 -10.935 -1.835 -8.995 1.00 60.43 C ATOM 772 O GLN A 48 -11.477 -1.231 -9.922 1.00 41.51 O ATOM 773 CB GLN A 48 -9.289 -3.314 -10.099 1.00 72.45 C ATOM 774 CG GLN A 48 -8.078 -2.551 -9.580 1.00 3.31 C ATOM 775 CD GLN A 48 -6.892 -2.622 -10.518 1.00 12.13 C ATOM 776 OE1 GLN A 48 -7.150 -2.684 -11.793 1.00 43.13 O flip ATOM 777 NE2 GLN A 48 -5.744 -2.599 -10.086 1.00 74.11 N flip ATOM 0 H GLN A 48 -11.670 -3.841 -10.782 1.00 33.41 H new ATOM 0 HA GLN A 48 -10.224 -3.723 -8.225 1.00 72.14 H new ATOM 0 HB2 GLN A 48 -9.008 -4.355 -10.257 1.00 72.45 H new ATOM 0 HB3 GLN A 48 -9.571 -2.909 -11.071 1.00 72.45 H new ATOM 0 HG2 GLN A 48 -8.351 -1.507 -9.426 1.00 3.31 H new ATOM 0 HG3 GLN A 48 -7.791 -2.952 -8.608 1.00 3.31 H new ATOM 0 HE21 GLN A 48 -5.578 -2.550 -9.081 1.00 74.11 H new ATOM 0 HE22 GLN A 48 -4.955 -2.629 -10.732 1.00 74.11 H new ATOM 786 N VAL A 49 -10.719 -1.297 -7.841 1.00 2.14 N ATOM 787 CA VAL A 49 -11.155 0.038 -7.550 1.00 65.51 C ATOM 788 C VAL A 49 -10.002 0.904 -7.126 1.00 42.05 C ATOM 789 O VAL A 49 -8.971 0.411 -6.684 1.00 23.55 O ATOM 790 CB VAL A 49 -12.292 0.096 -6.494 1.00 3.34 C ATOM 791 CG1 VAL A 49 -13.521 -0.660 -6.966 1.00 72.12 C ATOM 792 CG2 VAL A 49 -11.848 -0.393 -5.127 1.00 20.33 C ATOM 0 H VAL A 49 -10.238 -1.764 -7.072 1.00 2.14 H new ATOM 0 HA VAL A 49 -11.570 0.427 -8.480 1.00 65.51 H new ATOM 0 HB VAL A 49 -12.556 1.148 -6.383 1.00 3.34 H new ATOM 0 HG11 VAL A 49 -14.299 -0.601 -6.205 1.00 72.12 H new ATOM 0 HG12 VAL A 49 -13.886 -0.218 -7.893 1.00 72.12 H new ATOM 0 HG13 VAL A 49 -13.261 -1.704 -7.139 1.00 72.12 H new ATOM 0 HG21 VAL A 49 -12.683 -0.330 -4.429 1.00 20.33 H new ATOM 0 HG22 VAL A 49 -11.515 -1.428 -5.201 1.00 20.33 H new ATOM 0 HG23 VAL A 49 -11.027 0.228 -4.768 1.00 20.33 H new ATOM 802 N CYS A 50 -10.160 2.158 -7.284 1.00 74.01 N ATOM 803 CA CYS A 50 -9.156 3.102 -6.926 1.00 13.41 C ATOM 804 C CYS A 50 -9.626 3.805 -5.696 1.00 74.25 C ATOM 805 O CYS A 50 -10.788 4.034 -5.555 1.00 11.44 O ATOM 806 CB CYS A 50 -8.960 4.084 -8.062 1.00 40.13 C ATOM 807 SG CYS A 50 -8.445 3.294 -9.622 1.00 61.45 S ATOM 0 H CYS A 50 -11.005 2.576 -7.673 1.00 74.01 H new ATOM 0 HA CYS A 50 -8.201 2.612 -6.736 1.00 13.41 H new ATOM 0 HB2 CYS A 50 -9.891 4.626 -8.228 1.00 40.13 H new ATOM 0 HB3 CYS A 50 -8.210 4.820 -7.771 1.00 40.13 H new ATOM 812 N ILE A 51 -8.761 4.128 -4.800 1.00 51.03 N ATOM 813 CA ILE A 51 -9.193 4.772 -3.586 1.00 64.03 C ATOM 814 C ILE A 51 -8.417 5.987 -3.283 1.00 44.31 C ATOM 815 O ILE A 51 -7.243 6.119 -3.676 1.00 31.21 O ATOM 816 CB ILE A 51 -9.279 3.854 -2.310 1.00 3.21 C ATOM 817 CG1 ILE A 51 -8.014 3.065 -2.008 1.00 11.23 C ATOM 818 CG2 ILE A 51 -10.417 2.918 -2.393 1.00 41.34 C ATOM 819 CD1 ILE A 51 -7.711 1.962 -2.995 1.00 20.21 C ATOM 0 H ILE A 51 -7.757 3.964 -4.872 1.00 51.03 H new ATOM 0 HA ILE A 51 -10.222 5.046 -3.817 1.00 64.03 H new ATOM 0 HB ILE A 51 -9.421 4.555 -1.488 1.00 3.21 H new ATOM 0 HG12 ILE A 51 -7.169 3.754 -1.982 1.00 11.23 H new ATOM 0 HG13 ILE A 51 -8.102 2.630 -1.012 1.00 11.23 H new ATOM 0 HG21 ILE A 51 -10.446 2.300 -1.496 1.00 41.34 H new ATOM 0 HG22 ILE A 51 -11.346 3.482 -2.476 1.00 41.34 H new ATOM 0 HG23 ILE A 51 -10.300 2.280 -3.269 1.00 41.34 H new ATOM 0 HD11 ILE A 51 -6.793 1.453 -2.702 1.00 20.21 H new ATOM 0 HD12 ILE A 51 -8.534 1.247 -3.006 1.00 20.21 H new ATOM 0 HD13 ILE A 51 -7.587 2.388 -3.990 1.00 20.21 H new ATOM 831 N ASP A 52 -9.066 6.904 -2.614 1.00 63.11 N ATOM 832 CA ASP A 52 -8.399 8.098 -2.193 1.00 5.35 C ATOM 833 C ASP A 52 -7.595 7.750 -0.960 1.00 14.53 C ATOM 834 O ASP A 52 -8.130 7.118 -0.038 1.00 25.22 O ATOM 835 CB ASP A 52 -9.402 9.205 -1.859 1.00 73.54 C ATOM 836 CG ASP A 52 -8.735 10.537 -1.588 1.00 50.54 C ATOM 837 OD1 ASP A 52 -8.152 10.718 -0.522 1.00 11.53 O ATOM 838 OD2 ASP A 52 -8.798 11.429 -2.448 1.00 0.03 O ATOM 0 H ASP A 52 -10.050 6.844 -2.352 1.00 63.11 H new ATOM 0 HA ASP A 52 -7.760 8.468 -2.994 1.00 5.35 H new ATOM 0 HB2 ASP A 52 -10.103 9.316 -2.686 1.00 73.54 H new ATOM 0 HB3 ASP A 52 -9.984 8.911 -0.986 1.00 73.54 H new ATOM 843 N PRO A 53 -6.310 8.132 -0.914 1.00 62.41 N ATOM 844 CA PRO A 53 -5.432 7.837 0.228 1.00 22.41 C ATOM 845 C PRO A 53 -5.896 8.486 1.538 1.00 50.13 C ATOM 846 O PRO A 53 -5.304 8.272 2.595 1.00 62.51 O ATOM 847 CB PRO A 53 -4.065 8.402 -0.193 1.00 33.41 C ATOM 848 CG PRO A 53 -4.352 9.344 -1.311 1.00 43.03 C ATOM 849 CD PRO A 53 -5.602 8.855 -1.981 1.00 24.25 C ATOM 0 HA PRO A 53 -5.420 6.768 0.440 1.00 22.41 H new ATOM 0 HB2 PRO A 53 -3.579 8.915 0.637 1.00 33.41 H new ATOM 0 HB3 PRO A 53 -3.393 7.606 -0.513 1.00 33.41 H new ATOM 0 HG2 PRO A 53 -4.486 10.359 -0.936 1.00 43.03 H new ATOM 0 HG3 PRO A 53 -3.521 9.372 -2.016 1.00 43.03 H new ATOM 0 HD2 PRO A 53 -6.198 9.681 -2.368 1.00 24.25 H new ATOM 0 HD3 PRO A 53 -5.375 8.203 -2.824 1.00 24.25 H new ATOM 857 N LYS A 54 -6.948 9.267 1.468 1.00 24.33 N ATOM 858 CA LYS A 54 -7.443 9.948 2.608 1.00 34.30 C ATOM 859 C LYS A 54 -8.863 9.483 2.996 1.00 55.12 C ATOM 860 O LYS A 54 -9.526 10.131 3.787 1.00 2.43 O ATOM 861 CB LYS A 54 -7.389 11.446 2.363 1.00 61.30 C ATOM 862 CG LYS A 54 -6.001 11.928 1.950 1.00 14.34 C ATOM 863 CD LYS A 54 -5.965 13.415 1.640 1.00 2.12 C ATOM 864 CE LYS A 54 -6.968 13.799 0.557 1.00 35.24 C ATOM 865 NZ LYS A 54 -6.802 13.009 -0.689 1.00 23.32 N ATOM 0 H LYS A 54 -7.475 9.439 0.612 1.00 24.33 H new ATOM 0 HA LYS A 54 -6.806 9.705 3.458 1.00 34.30 H new ATOM 0 HB2 LYS A 54 -8.106 11.708 1.585 1.00 61.30 H new ATOM 0 HB3 LYS A 54 -7.696 11.969 3.269 1.00 61.30 H new ATOM 0 HG2 LYS A 54 -5.293 11.710 2.749 1.00 14.34 H new ATOM 0 HG3 LYS A 54 -5.673 11.370 1.073 1.00 14.34 H new ATOM 0 HD2 LYS A 54 -6.178 13.980 2.548 1.00 2.12 H new ATOM 0 HD3 LYS A 54 -4.961 13.694 1.319 1.00 2.12 H new ATOM 0 HE2 LYS A 54 -7.979 13.658 0.939 1.00 35.24 H new ATOM 0 HE3 LYS A 54 -6.859 14.859 0.327 1.00 35.24 H new ATOM 0 HZ1 LYS A 54 -7.439 13.380 -1.423 1.00 23.32 H new ATOM 0 HZ2 LYS A 54 -5.818 13.081 -1.017 1.00 23.32 H new ATOM 0 HZ3 LYS A 54 -7.033 12.012 -0.501 1.00 23.32 H new ATOM 879 N LEU A 55 -9.327 8.354 2.438 1.00 33.30 N ATOM 880 CA LEU A 55 -10.580 7.759 2.897 1.00 13.13 C ATOM 881 C LEU A 55 -10.411 7.349 4.337 1.00 55.20 C ATOM 882 O LEU A 55 -9.332 6.914 4.705 1.00 41.20 O ATOM 883 CB LEU A 55 -10.936 6.527 2.072 1.00 74.02 C ATOM 884 CG LEU A 55 -11.521 6.749 0.690 1.00 45.33 C ATOM 885 CD1 LEU A 55 -11.683 5.410 -0.013 1.00 20.41 C ATOM 886 CD2 LEU A 55 -12.879 7.398 0.831 1.00 65.34 C ATOM 0 H LEU A 55 -8.861 7.848 1.685 1.00 33.30 H new ATOM 0 HA LEU A 55 -11.381 8.491 2.788 1.00 13.13 H new ATOM 0 HB2 LEU A 55 -10.034 5.925 1.962 1.00 74.02 H new ATOM 0 HB3 LEU A 55 -11.647 5.933 2.646 1.00 74.02 H new ATOM 0 HG LEU A 55 -10.857 7.389 0.109 1.00 45.33 H new ATOM 0 HD11 LEU A 55 -12.103 5.569 -1.006 1.00 20.41 H new ATOM 0 HD12 LEU A 55 -10.710 4.927 -0.104 1.00 20.41 H new ATOM 0 HD13 LEU A 55 -12.352 4.773 0.566 1.00 20.41 H new ATOM 0 HD21 LEU A 55 -13.308 7.562 -0.157 1.00 65.34 H new ATOM 0 HD22 LEU A 55 -13.535 6.747 1.408 1.00 65.34 H new ATOM 0 HD23 LEU A 55 -12.774 8.354 1.344 1.00 65.34 H new ATOM 898 N LYS A 56 -11.461 7.473 5.152 1.00 63.00 N ATOM 899 CA LYS A 56 -11.342 7.161 6.576 1.00 4.31 C ATOM 900 C LYS A 56 -10.761 5.775 6.836 1.00 50.30 C ATOM 901 O LYS A 56 -9.842 5.643 7.618 1.00 33.33 O ATOM 902 CB LYS A 56 -12.648 7.290 7.332 1.00 22.22 C ATOM 903 CG LYS A 56 -12.428 7.072 8.816 1.00 31.13 C ATOM 904 CD LYS A 56 -13.700 6.995 9.583 1.00 32.52 C ATOM 905 CE LYS A 56 -13.425 6.781 11.053 1.00 11.32 C ATOM 906 NZ LYS A 56 -12.614 5.577 11.299 1.00 71.43 N ATOM 0 H LYS A 56 -12.387 7.782 4.857 1.00 63.00 H new ATOM 0 HA LYS A 56 -10.648 7.913 6.951 1.00 4.31 H new ATOM 0 HB2 LYS A 56 -13.076 8.278 7.163 1.00 22.22 H new ATOM 0 HB3 LYS A 56 -13.367 6.563 6.954 1.00 22.22 H new ATOM 0 HG2 LYS A 56 -11.864 6.151 8.963 1.00 31.13 H new ATOM 0 HG3 LYS A 56 -11.819 7.885 9.212 1.00 31.13 H new ATOM 0 HD2 LYS A 56 -14.270 7.914 9.445 1.00 32.52 H new ATOM 0 HD3 LYS A 56 -14.313 6.179 9.200 1.00 32.52 H new ATOM 0 HE2 LYS A 56 -12.909 7.653 11.455 1.00 11.32 H new ATOM 0 HE3 LYS A 56 -14.370 6.696 11.589 1.00 11.32 H new ATOM 0 HZ1 LYS A 56 -13.093 4.973 11.997 1.00 71.43 H new ATOM 0 HZ2 LYS A 56 -12.494 5.051 10.410 1.00 71.43 H new ATOM 0 HZ3 LYS A 56 -11.681 5.856 11.665 1.00 71.43 H new ATOM 920 N TRP A 57 -11.280 4.749 6.171 1.00 3.35 N ATOM 921 CA TRP A 57 -10.766 3.400 6.400 1.00 11.12 C ATOM 922 C TRP A 57 -9.306 3.278 5.953 1.00 14.01 C ATOM 923 O TRP A 57 -8.552 2.479 6.487 1.00 62.24 O ATOM 924 CB TRP A 57 -11.660 2.302 5.785 1.00 14.01 C ATOM 925 CG TRP A 57 -11.803 2.325 4.292 1.00 63.40 C ATOM 926 CD1 TRP A 57 -12.667 3.082 3.547 1.00 73.30 C ATOM 927 CD2 TRP A 57 -11.074 1.519 3.362 1.00 3.40 C ATOM 928 NE1 TRP A 57 -12.511 2.790 2.219 1.00 35.32 N ATOM 929 CE2 TRP A 57 -11.537 1.836 2.083 1.00 21.23 C ATOM 930 CE3 TRP A 57 -10.064 0.557 3.495 1.00 51.02 C ATOM 931 CZ2 TRP A 57 -11.034 1.228 0.942 1.00 35.33 C ATOM 932 CZ3 TRP A 57 -9.568 -0.046 2.360 1.00 63.43 C ATOM 933 CH2 TRP A 57 -10.053 0.293 1.095 1.00 32.24 C ATOM 0 H TRP A 57 -12.034 4.818 5.488 1.00 3.35 H new ATOM 0 HA TRP A 57 -10.794 3.232 7.477 1.00 11.12 H new ATOM 0 HB2 TRP A 57 -11.260 1.331 6.076 1.00 14.01 H new ATOM 0 HB3 TRP A 57 -12.654 2.382 6.226 1.00 14.01 H new ATOM 0 HD1 TRP A 57 -13.366 3.801 3.947 1.00 73.30 H new ATOM 0 HE1 TRP A 57 -13.035 3.214 1.454 1.00 35.32 H new ATOM 0 HE3 TRP A 57 -9.681 0.293 4.470 1.00 51.02 H new ATOM 0 HZ2 TRP A 57 -11.408 1.487 -0.038 1.00 35.33 H new ATOM 0 HZ3 TRP A 57 -8.792 -0.792 2.450 1.00 63.43 H new ATOM 0 HH2 TRP A 57 -9.644 -0.194 0.222 1.00 32.24 H new ATOM 944 N ILE A 58 -8.924 4.100 4.986 1.00 21.45 N ATOM 945 CA ILE A 58 -7.551 4.156 4.518 1.00 52.33 C ATOM 946 C ILE A 58 -6.694 4.847 5.582 1.00 4.14 C ATOM 947 O ILE A 58 -5.594 4.395 5.891 1.00 22.33 O ATOM 948 CB ILE A 58 -7.435 4.936 3.181 1.00 3.13 C ATOM 949 CG1 ILE A 58 -8.242 4.251 2.064 1.00 14.21 C ATOM 950 CG2 ILE A 58 -5.981 5.078 2.770 1.00 23.22 C ATOM 951 CD1 ILE A 58 -7.755 2.875 1.713 1.00 31.51 C ATOM 0 H ILE A 58 -9.555 4.743 4.507 1.00 21.45 H new ATOM 0 HA ILE A 58 -7.204 3.137 4.344 1.00 52.33 H new ATOM 0 HB ILE A 58 -7.853 5.930 3.339 1.00 3.13 H new ATOM 0 HG12 ILE A 58 -9.286 4.188 2.371 1.00 14.21 H new ATOM 0 HG13 ILE A 58 -8.209 4.875 1.171 1.00 14.21 H new ATOM 0 HG21 ILE A 58 -5.920 5.627 1.831 1.00 23.22 H new ATOM 0 HG22 ILE A 58 -5.436 5.620 3.543 1.00 23.22 H new ATOM 0 HG23 ILE A 58 -5.541 4.089 2.641 1.00 23.22 H new ATOM 0 HD11 ILE A 58 -8.376 2.461 0.918 1.00 31.51 H new ATOM 0 HD12 ILE A 58 -6.721 2.931 1.374 1.00 31.51 H new ATOM 0 HD13 ILE A 58 -7.814 2.233 2.592 1.00 31.51 H new ATOM 963 N GLN A 59 -7.232 5.940 6.142 1.00 13.12 N ATOM 964 CA GLN A 59 -6.590 6.690 7.231 1.00 44.15 C ATOM 965 C GLN A 59 -6.250 5.739 8.341 1.00 63.24 C ATOM 966 O GLN A 59 -5.113 5.687 8.790 1.00 52.14 O ATOM 967 CB GLN A 59 -7.558 7.743 7.787 1.00 34.43 C ATOM 968 CG GLN A 59 -8.010 8.771 6.786 1.00 2.11 C ATOM 969 CD GLN A 59 -6.912 9.691 6.361 1.00 43.24 C ATOM 970 OE1 GLN A 59 -6.720 10.741 6.959 1.00 51.53 O ATOM 971 NE2 GLN A 59 -6.177 9.318 5.349 1.00 51.13 N ATOM 0 H GLN A 59 -8.128 6.330 5.851 1.00 13.12 H new ATOM 0 HA GLN A 59 -5.694 7.178 6.846 1.00 44.15 H new ATOM 0 HB2 GLN A 59 -8.435 7.235 8.187 1.00 34.43 H new ATOM 0 HB3 GLN A 59 -7.077 8.254 8.621 1.00 34.43 H new ATOM 0 HG2 GLN A 59 -8.412 8.264 5.909 1.00 2.11 H new ATOM 0 HG3 GLN A 59 -8.822 9.357 7.216 1.00 2.11 H new ATOM 0 HE21 GLN A 59 -6.370 8.435 4.877 1.00 51.13 H new ATOM 0 HE22 GLN A 59 -5.410 9.910 5.030 1.00 51.13 H new ATOM 980 N GLU A 60 -7.252 4.960 8.746 1.00 71.13 N ATOM 981 CA GLU A 60 -7.100 3.981 9.789 1.00 13.22 C ATOM 982 C GLU A 60 -6.021 2.990 9.390 1.00 33.13 C ATOM 983 O GLU A 60 -5.060 2.789 10.104 1.00 31.20 O ATOM 984 CB GLU A 60 -8.395 3.183 9.935 1.00 54.53 C ATOM 985 CG GLU A 60 -9.664 3.984 10.150 1.00 1.32 C ATOM 986 CD GLU A 60 -9.658 4.829 11.386 1.00 12.21 C ATOM 987 OE1 GLU A 60 -9.433 4.293 12.481 1.00 54.42 O ATOM 988 OE2 GLU A 60 -9.940 6.034 11.280 1.00 72.32 O ATOM 0 H GLU A 60 -8.191 5.001 8.350 1.00 71.13 H new ATOM 0 HA GLU A 60 -6.848 4.495 10.717 1.00 13.22 H new ATOM 0 HB2 GLU A 60 -8.523 2.575 9.040 1.00 54.53 H new ATOM 0 HB3 GLU A 60 -8.279 2.496 10.773 1.00 54.53 H new ATOM 0 HG2 GLU A 60 -9.824 4.628 9.285 1.00 1.32 H new ATOM 0 HG3 GLU A 60 -10.509 3.297 10.198 1.00 1.32 H new ATOM 995 N TYR A 61 -6.179 2.439 8.198 1.00 72.31 N ATOM 996 CA TYR A 61 -5.342 1.375 7.678 1.00 32.54 C ATOM 997 C TYR A 61 -3.865 1.771 7.693 1.00 45.14 C ATOM 998 O TYR A 61 -3.018 1.018 8.184 1.00 41.12 O ATOM 999 CB TYR A 61 -5.798 1.045 6.253 1.00 22.15 C ATOM 1000 CG TYR A 61 -5.285 -0.253 5.696 1.00 42.23 C ATOM 1001 CD1 TYR A 61 -6.007 -1.422 5.890 1.00 31.44 C ATOM 1002 CD2 TYR A 61 -4.106 -0.320 4.970 1.00 0.44 C ATOM 1003 CE1 TYR A 61 -5.576 -2.621 5.381 1.00 23.33 C ATOM 1004 CE2 TYR A 61 -3.662 -1.519 4.455 1.00 54.32 C ATOM 1005 CZ TYR A 61 -4.399 -2.668 4.661 1.00 4.54 C ATOM 1006 OH TYR A 61 -3.961 -3.862 4.143 1.00 12.11 O ATOM 0 H TYR A 61 -6.912 2.728 7.550 1.00 72.31 H new ATOM 0 HA TYR A 61 -5.445 0.495 8.314 1.00 32.54 H new ATOM 0 HB2 TYR A 61 -6.888 1.023 6.234 1.00 22.15 H new ATOM 0 HB3 TYR A 61 -5.484 1.853 5.593 1.00 22.15 H new ATOM 0 HD1 TYR A 61 -6.928 -1.387 6.454 1.00 31.44 H new ATOM 0 HD2 TYR A 61 -3.529 0.578 4.806 1.00 0.44 H new ATOM 0 HE1 TYR A 61 -6.152 -3.520 5.542 1.00 23.33 H new ATOM 0 HE2 TYR A 61 -2.741 -1.559 3.892 1.00 54.32 H new ATOM 0 HH TYR A 61 -3.452 -3.695 3.322 1.00 12.11 H new ATOM 1016 N LEU A 62 -3.575 2.962 7.195 1.00 74.54 N ATOM 1017 CA LEU A 62 -2.210 3.453 7.117 1.00 31.43 C ATOM 1018 C LEU A 62 -1.683 3.749 8.503 1.00 52.43 C ATOM 1019 O LEU A 62 -0.599 3.303 8.875 1.00 60.41 O ATOM 1020 CB LEU A 62 -2.147 4.733 6.266 1.00 54.04 C ATOM 1021 CG LEU A 62 -2.687 4.637 4.836 1.00 23.41 C ATOM 1022 CD1 LEU A 62 -2.572 5.975 4.130 1.00 72.32 C ATOM 1023 CD2 LEU A 62 -1.977 3.549 4.042 1.00 14.40 C ATOM 0 H LEU A 62 -4.275 3.612 6.836 1.00 74.54 H new ATOM 0 HA LEU A 62 -1.596 2.683 6.651 1.00 31.43 H new ATOM 0 HB2 LEU A 62 -2.700 5.515 6.786 1.00 54.04 H new ATOM 0 HB3 LEU A 62 -1.108 5.057 6.216 1.00 54.04 H new ATOM 0 HG LEU A 62 -3.741 4.366 4.899 1.00 23.41 H new ATOM 0 HD11 LEU A 62 -2.961 5.886 3.116 1.00 72.32 H new ATOM 0 HD12 LEU A 62 -3.147 6.724 4.674 1.00 72.32 H new ATOM 0 HD13 LEU A 62 -1.526 6.278 4.092 1.00 72.32 H new ATOM 0 HD21 LEU A 62 -2.386 3.510 3.032 1.00 14.40 H new ATOM 0 HD22 LEU A 62 -0.911 3.771 3.993 1.00 14.40 H new ATOM 0 HD23 LEU A 62 -2.125 2.586 4.531 1.00 14.40 H new ATOM 1035 N GLU A 63 -2.476 4.484 9.266 1.00 63.12 N ATOM 1036 CA GLU A 63 -2.116 4.920 10.598 1.00 23.43 C ATOM 1037 C GLU A 63 -1.860 3.703 11.516 1.00 74.21 C ATOM 1038 O GLU A 63 -0.936 3.720 12.321 1.00 43.41 O ATOM 1039 CB GLU A 63 -3.253 5.813 11.115 1.00 40.44 C ATOM 1040 CG GLU A 63 -2.911 6.840 12.190 1.00 1.44 C ATOM 1041 CD GLU A 63 -2.660 6.296 13.584 1.00 72.22 C ATOM 1042 OE1 GLU A 63 -3.633 6.071 14.337 1.00 44.14 O ATOM 1043 OE2 GLU A 63 -1.497 6.134 13.968 1.00 24.12 O ATOM 0 H GLU A 63 -3.400 4.797 8.970 1.00 63.12 H new ATOM 0 HA GLU A 63 -1.188 5.491 10.587 1.00 23.43 H new ATOM 0 HB2 GLU A 63 -3.675 6.346 10.263 1.00 40.44 H new ATOM 0 HB3 GLU A 63 -4.037 5.165 11.506 1.00 40.44 H new ATOM 0 HG2 GLU A 63 -2.023 7.386 11.871 1.00 1.44 H new ATOM 0 HG3 GLU A 63 -3.726 7.561 12.246 1.00 1.44 H new ATOM 1050 N LYS A 64 -2.651 2.631 11.375 1.00 42.24 N ATOM 1051 CA LYS A 64 -2.456 1.462 12.235 1.00 52.12 C ATOM 1052 C LYS A 64 -1.240 0.684 11.787 1.00 23.14 C ATOM 1053 O LYS A 64 -0.382 0.351 12.595 1.00 34.24 O ATOM 1054 CB LYS A 64 -3.645 0.494 12.164 1.00 52.53 C ATOM 1055 CG LYS A 64 -5.060 1.023 12.416 1.00 2.55 C ATOM 1056 CD LYS A 64 -5.280 1.721 13.761 1.00 22.22 C ATOM 1057 CE LYS A 64 -4.734 3.141 13.755 1.00 51.43 C ATOM 1058 NZ LYS A 64 -4.933 3.839 15.030 1.00 42.13 N ATOM 0 H LYS A 64 -3.408 2.550 10.696 1.00 42.24 H new ATOM 0 HA LYS A 64 -2.343 1.841 13.251 1.00 52.12 H new ATOM 0 HB2 LYS A 64 -3.637 0.038 11.174 1.00 52.53 H new ATOM 0 HB3 LYS A 64 -3.461 -0.304 12.883 1.00 52.53 H new ATOM 0 HG2 LYS A 64 -5.314 1.722 11.619 1.00 2.55 H new ATOM 0 HG3 LYS A 64 -5.758 0.189 12.342 1.00 2.55 H new ATOM 0 HD2 LYS A 64 -6.345 1.742 13.990 1.00 22.22 H new ATOM 0 HD3 LYS A 64 -4.795 1.148 14.552 1.00 22.22 H new ATOM 0 HE2 LYS A 64 -3.669 3.113 13.525 1.00 51.43 H new ATOM 0 HE3 LYS A 64 -5.218 3.707 12.959 1.00 51.43 H new ATOM 0 HZ1 LYS A 64 -4.384 4.722 15.032 1.00 42.13 H new ATOM 0 HZ2 LYS A 64 -5.942 4.059 15.152 1.00 42.13 H new ATOM 0 HZ3 LYS A 64 -4.614 3.232 15.812 1.00 42.13 H new ATOM 1072 N CYS A 65 -1.152 0.455 10.486 1.00 24.22 N ATOM 1073 CA CYS A 65 -0.041 -0.324 9.878 1.00 74.31 C ATOM 1074 C CYS A 65 1.321 0.297 10.188 1.00 31.40 C ATOM 1075 O CYS A 65 2.329 -0.412 10.306 1.00 40.12 O ATOM 1076 CB CYS A 65 -0.240 -0.463 8.352 1.00 2.52 C ATOM 1077 SG CYS A 65 1.103 -1.345 7.453 1.00 53.24 S ATOM 0 H CYS A 65 -1.836 0.794 9.810 1.00 24.22 H new ATOM 0 HA CYS A 65 -0.059 -1.319 10.323 1.00 74.31 H new ATOM 0 HB2 CYS A 65 -1.179 -0.987 8.172 1.00 2.52 H new ATOM 0 HB3 CYS A 65 -0.345 0.534 7.925 1.00 2.52 H new ATOM 1082 N LEU A 66 1.324 1.613 10.344 1.00 13.25 N ATOM 1083 CA LEU A 66 2.497 2.394 10.632 1.00 12.30 C ATOM 1084 C LEU A 66 3.173 1.887 11.933 1.00 41.00 C ATOM 1085 O LEU A 66 4.392 1.698 11.972 1.00 14.05 O ATOM 1086 CB LEU A 66 2.021 3.880 10.753 1.00 53.33 C ATOM 1087 CG LEU A 66 3.042 5.052 10.814 1.00 33.13 C ATOM 1088 CD1 LEU A 66 2.277 6.348 10.880 1.00 45.25 C ATOM 1089 CD2 LEU A 66 3.977 4.943 11.998 1.00 60.45 C ATOM 0 H LEU A 66 0.477 2.176 10.269 1.00 13.25 H new ATOM 0 HA LEU A 66 3.248 2.307 9.846 1.00 12.30 H new ATOM 0 HB2 LEU A 66 1.365 4.074 9.905 1.00 53.33 H new ATOM 0 HB3 LEU A 66 1.408 3.945 11.652 1.00 53.33 H new ATOM 0 HG LEU A 66 3.663 5.012 9.919 1.00 33.13 H new ATOM 0 HD11 LEU A 66 2.977 7.182 10.923 1.00 45.25 H new ATOM 0 HD12 LEU A 66 1.650 6.446 9.994 1.00 45.25 H new ATOM 0 HD13 LEU A 66 1.649 6.355 11.771 1.00 45.25 H new ATOM 0 HD21 LEU A 66 4.669 5.785 11.994 1.00 60.45 H new ATOM 0 HD22 LEU A 66 3.398 4.954 12.921 1.00 60.45 H new ATOM 0 HD23 LEU A 66 4.539 4.011 11.933 1.00 60.45 H new ATOM 1101 N ASN A 67 2.391 1.611 12.970 1.00 42.41 N ATOM 1102 CA ASN A 67 3.001 1.284 14.260 1.00 44.05 C ATOM 1103 C ASN A 67 2.274 0.200 15.053 1.00 12.22 C ATOM 1104 O ASN A 67 2.875 -0.819 15.406 1.00 62.04 O ATOM 1105 CB ASN A 67 3.172 2.572 15.091 1.00 31.53 C ATOM 1106 CG ASN A 67 3.798 2.381 16.471 1.00 31.44 C ATOM 1107 OD1 ASN A 67 4.659 1.403 16.623 1.00 70.35 O flip ATOM 1108 ND2 ASN A 67 3.501 3.141 17.391 1.00 53.54 N flip ATOM 0 H ASN A 67 1.371 1.605 12.952 1.00 42.41 H new ATOM 0 HA ASN A 67 3.976 0.849 14.039 1.00 44.05 H new ATOM 0 HB2 ASN A 67 3.788 3.271 14.525 1.00 31.53 H new ATOM 0 HB3 ASN A 67 2.194 3.037 15.215 1.00 31.53 H new ATOM 0 HD21 ASN A 67 2.827 3.891 17.236 1.00 53.54 H new ATOM 0 HD22 ASN A 67 3.929 3.022 18.309 1.00 53.54 H new ATOM 1404 N GLY B 119 -13.676 5.618 -11.318 1.00 41.41 N ATOM 1405 CA GLY B 119 -14.196 5.995 -10.008 1.00 14.44 C ATOM 1406 C GLY B 119 -15.716 6.012 -9.877 1.00 2.24 C ATOM 1407 O GLY B 119 -16.417 6.759 -10.564 1.00 13.22 O ATOM 0 HA2 GLY B 119 -13.794 5.305 -9.266 1.00 14.44 H new ATOM 0 HA3 GLY B 119 -13.818 6.987 -9.759 1.00 14.44 H new ATOM 1411 N ASP B 120 -16.213 5.203 -8.999 1.00 14.03 N ATOM 1412 CA ASP B 120 -17.619 5.160 -8.660 1.00 50.22 C ATOM 1413 C ASP B 120 -17.700 4.867 -7.142 1.00 22.14 C ATOM 1414 O ASP B 120 -16.751 5.200 -6.421 1.00 62.13 O ATOM 1415 CB ASP B 120 -18.317 4.091 -9.495 1.00 25.45 C ATOM 1416 CG ASP B 120 -19.835 4.093 -9.353 1.00 54.25 C ATOM 1417 OD1 ASP B 120 -20.503 4.960 -9.949 1.00 41.45 O ATOM 1418 OD2 ASP B 120 -20.369 3.243 -8.608 1.00 25.52 O ATOM 0 H ASP B 120 -15.648 4.532 -8.478 1.00 14.03 H new ATOM 0 HA ASP B 120 -18.124 6.101 -8.878 1.00 50.22 H new ATOM 0 HB2 ASP B 120 -18.059 4.237 -10.544 1.00 25.45 H new ATOM 0 HB3 ASP B 120 -17.936 3.111 -9.206 1.00 25.45 H new ATOM 1447 N ASP B 122 -19.813 6.323 -5.039 1.00 65.03 N ATOM 1448 CA ASP B 122 -19.881 7.745 -4.672 1.00 40.21 C ATOM 1449 C ASP B 122 -18.760 8.519 -5.301 1.00 32.15 C ATOM 1450 O ASP B 122 -18.970 9.588 -5.880 1.00 32.12 O ATOM 1451 CB ASP B 122 -19.930 7.974 -3.192 1.00 2.31 C ATOM 1452 CG ASP B 122 -21.232 7.548 -2.583 1.00 52.11 C ATOM 1453 OD1 ASP B 122 -21.368 6.369 -2.205 1.00 50.42 O ATOM 1454 OD2 ASP B 122 -22.135 8.389 -2.464 1.00 54.41 O ATOM 0 HA ASP B 122 -20.826 8.116 -5.068 1.00 40.21 H new ATOM 0 HB2 ASP B 122 -19.115 7.427 -2.717 1.00 2.31 H new ATOM 0 HB3 ASP B 122 -19.767 9.032 -2.987 1.00 2.31 H new ATOM 1459 N SER B 123 -17.579 7.968 -5.180 1.00 60.33 N ATOM 1460 CA SER B 123 -16.392 8.448 -5.806 1.00 72.34 C ATOM 1461 C SER B 123 -15.966 9.879 -5.329 1.00 74.14 C ATOM 1462 O SER B 123 -15.219 10.584 -6.017 1.00 2.24 O ATOM 1463 CB SER B 123 -16.578 8.316 -7.339 1.00 51.23 C ATOM 1464 OG SER B 123 -15.438 8.722 -8.078 1.00 61.32 O ATOM 0 H SER B 123 -17.421 7.134 -4.614 1.00 60.33 H new ATOM 0 HA SER B 123 -15.543 7.836 -5.500 1.00 72.34 H new ATOM 0 HB2 SER B 123 -16.810 7.279 -7.582 1.00 51.23 H new ATOM 0 HB3 SER B 123 -17.435 8.915 -7.647 1.00 51.23 H new ATOM 0 HG SER B 123 -14.627 8.403 -7.630 1.00 61.32 H new ATOM 1470 N MET B 124 -16.378 10.265 -4.121 1.00 71.31 N ATOM 1471 CA MET B 124 -16.029 11.586 -3.593 1.00 22.20 C ATOM 1472 C MET B 124 -16.068 11.612 -2.060 1.00 22.31 C ATOM 1473 O MET B 124 -17.153 11.602 -1.466 1.00 43.04 O ATOM 1474 CB MET B 124 -16.970 12.663 -4.150 1.00 31.11 C ATOM 1475 CG MET B 124 -16.654 14.069 -3.663 1.00 54.24 C ATOM 1476 SD MET B 124 -17.832 15.303 -4.257 1.00 25.21 S ATOM 1477 CE MET B 124 -17.603 15.176 -6.032 1.00 12.15 C ATOM 0 H MET B 124 -16.946 9.692 -3.497 1.00 71.31 H new ATOM 0 HA MET B 124 -15.009 11.799 -3.914 1.00 22.20 H new ATOM 0 HB2 MET B 124 -16.921 12.647 -5.239 1.00 31.11 H new ATOM 0 HB3 MET B 124 -17.995 12.415 -3.873 1.00 31.11 H new ATOM 0 HG2 MET B 124 -16.647 14.077 -2.573 1.00 54.24 H new ATOM 0 HG3 MET B 124 -15.652 14.344 -3.991 1.00 54.24 H new ATOM 0 HE1 MET B 124 -18.020 16.059 -6.517 1.00 12.15 H new ATOM 0 HE2 MET B 124 -16.539 15.107 -6.258 1.00 12.15 H new ATOM 0 HE3 MET B 124 -18.111 14.285 -6.402 1.00 12.15 H new ATOM 1487 N LYS B 125 -14.885 11.625 -1.435 1.00 70.52 N ATOM 1488 CA LYS B 125 -14.713 11.723 0.015 1.00 74.51 C ATOM 1489 C LYS B 125 -13.332 12.247 0.383 1.00 33.13 C ATOM 1490 O LYS B 125 -12.451 12.380 -0.476 1.00 31.23 O ATOM 1491 CB LYS B 125 -14.923 10.383 0.737 1.00 5.13 C ATOM 1492 CG LYS B 125 -16.344 9.971 0.993 1.00 41.33 C ATOM 1493 CD LYS B 125 -17.025 10.952 1.917 1.00 14.23 C ATOM 1494 CE LYS B 125 -18.367 10.440 2.307 1.00 65.24 C ATOM 1495 NZ LYS B 125 -19.103 11.379 3.173 1.00 64.32 N ATOM 0 H LYS B 125 -14.000 11.566 -1.938 1.00 70.52 H new ATOM 0 HA LYS B 125 -15.481 12.423 0.343 1.00 74.51 H new ATOM 0 HB2 LYS B 125 -14.442 9.601 0.149 1.00 5.13 H new ATOM 0 HB3 LYS B 125 -14.404 10.427 1.694 1.00 5.13 H new ATOM 0 HG2 LYS B 125 -16.887 9.915 0.050 1.00 41.33 H new ATOM 0 HG3 LYS B 125 -16.365 8.974 1.433 1.00 41.33 H new ATOM 0 HD2 LYS B 125 -16.415 11.110 2.806 1.00 14.23 H new ATOM 0 HD3 LYS B 125 -17.125 11.919 1.424 1.00 14.23 H new ATOM 0 HE2 LYS B 125 -18.953 10.245 1.408 1.00 65.24 H new ATOM 0 HE3 LYS B 125 -18.252 9.488 2.825 1.00 65.24 H new ATOM 0 HZ1 LYS B 125 -20.030 10.974 3.415 1.00 64.32 H new ATOM 0 HZ2 LYS B 125 -18.560 11.546 4.044 1.00 64.32 H new ATOM 0 HZ3 LYS B 125 -19.239 12.280 2.672 1.00 64.32 H new ATOM 1509 N GLU B 126 -13.176 12.525 1.664 1.00 51.32 N ATOM 1510 CA GLU B 126 -11.945 12.968 2.280 1.00 12.53 C ATOM 1511 C GLU B 126 -12.055 12.615 3.779 1.00 70.21 C ATOM 1512 O GLU B 126 -13.141 12.163 4.208 1.00 1.34 O ATOM 1513 CB GLU B 126 -11.726 14.480 2.044 1.00 43.31 C ATOM 1514 CG GLU B 126 -12.825 15.380 2.563 1.00 13.32 C ATOM 1515 CD GLU B 126 -12.502 16.828 2.330 1.00 43.34 C ATOM 1516 OE1 GLU B 126 -12.699 17.321 1.194 1.00 62.41 O ATOM 1517 OE2 GLU B 126 -12.028 17.498 3.270 1.00 23.45 O ATOM 0 H GLU B 126 -13.942 12.443 2.332 1.00 51.32 H new ATOM 0 HA GLU B 126 -11.076 12.475 1.844 1.00 12.53 H new ATOM 0 HB2 GLU B 126 -10.787 14.772 2.514 1.00 43.31 H new ATOM 0 HB3 GLU B 126 -11.613 14.652 0.973 1.00 43.31 H new ATOM 0 HG2 GLU B 126 -13.765 15.131 2.070 1.00 13.32 H new ATOM 0 HG3 GLU B 126 -12.968 15.204 3.629 1.00 13.32 H new ATOM 1524 N PRO B 127 -10.999 12.771 4.610 1.00 13.43 N ATOM 1525 CA PRO B 127 -11.057 12.359 5.987 1.00 15.42 C ATOM 1526 C PRO B 127 -11.472 13.461 6.938 1.00 12.20 C ATOM 1527 O PRO B 127 -11.185 14.645 6.730 1.00 61.52 O ATOM 1528 CB PRO B 127 -9.609 11.978 6.273 1.00 13.14 C ATOM 1529 CG PRO B 127 -8.814 12.963 5.486 1.00 15.44 C ATOM 1530 CD PRO B 127 -9.665 13.337 4.292 1.00 30.33 C ATOM 0 HA PRO B 127 -11.795 11.571 6.133 1.00 15.42 H new ATOM 0 HB2 PRO B 127 -9.382 12.042 7.337 1.00 13.14 H new ATOM 0 HB3 PRO B 127 -9.397 10.955 5.963 1.00 13.14 H new ATOM 0 HG2 PRO B 127 -8.579 13.842 6.087 1.00 15.44 H new ATOM 0 HG3 PRO B 127 -7.865 12.531 5.168 1.00 15.44 H new ATOM 0 HD2 PRO B 127 -9.712 14.418 4.158 1.00 30.33 H new ATOM 0 HD3 PRO B 127 -9.264 12.918 3.369 1.00 30.33 H new ATOM 1855 N CYS C 209 0.937 -15.839 6.716 1.00 34.54 N ATOM 1856 CA CYS C 209 1.266 -14.538 6.256 1.00 73.23 C ATOM 1857 C CYS C 209 1.515 -14.685 4.756 1.00 31.21 C ATOM 1858 O CYS C 209 2.205 -15.624 4.351 1.00 75.20 O ATOM 1859 CB CYS C 209 2.558 -14.089 6.947 1.00 23.44 C ATOM 1860 SG CYS C 209 2.543 -14.275 8.770 1.00 31.21 S ATOM 0 HA CYS C 209 0.483 -13.809 6.465 1.00 73.23 H new ATOM 0 HB2 CYS C 209 3.391 -14.663 6.542 1.00 23.44 H new ATOM 0 HB3 CYS C 209 2.743 -13.043 6.702 1.00 23.44 H new ATOM 1865 N PRO C 210 0.928 -13.794 3.899 1.00 10.10 N ATOM 1866 CA PRO C 210 1.093 -13.884 2.439 1.00 31.52 C ATOM 1867 C PRO C 210 2.563 -13.879 2.100 1.00 12.14 C ATOM 1868 O PRO C 210 3.063 -14.759 1.408 1.00 5.21 O ATOM 1869 CB PRO C 210 0.405 -12.612 1.930 1.00 41.42 C ATOM 1870 CG PRO C 210 -0.591 -12.297 2.982 1.00 14.32 C ATOM 1871 CD PRO C 210 0.070 -12.656 4.275 1.00 21.35 C ATOM 0 HA PRO C 210 0.674 -14.789 1.999 1.00 31.52 H new ATOM 0 HB2 PRO C 210 1.118 -11.798 1.799 1.00 41.42 H new ATOM 0 HB3 PRO C 210 -0.073 -12.776 0.964 1.00 41.42 H new ATOM 0 HG2 PRO C 210 -0.865 -11.242 2.960 1.00 14.32 H new ATOM 0 HG3 PRO C 210 -1.508 -12.868 2.838 1.00 14.32 H new ATOM 0 HD2 PRO C 210 0.652 -11.826 4.676 1.00 21.35 H new ATOM 0 HD3 PRO C 210 -0.658 -12.933 5.038 1.00 21.35 H new ATOM 1879 N CYS C 211 3.236 -12.868 2.551 1.00 53.31 N ATOM 1880 CA CYS C 211 4.646 -12.854 2.495 1.00 61.41 C ATOM 1881 C CYS C 211 5.125 -13.219 3.886 1.00 14.45 C ATOM 1882 O CYS C 211 4.559 -12.739 4.870 1.00 23.01 O ATOM 1883 CB CYS C 211 5.167 -11.497 2.080 1.00 64.31 C ATOM 1884 SG CYS C 211 6.925 -11.502 1.671 1.00 4.51 S ATOM 0 H CYS C 211 2.816 -12.036 2.965 1.00 53.31 H new ATOM 0 HA CYS C 211 5.015 -13.559 1.750 1.00 61.41 H new ATOM 0 HB2 CYS C 211 4.601 -11.147 1.217 1.00 64.31 H new ATOM 0 HB3 CYS C 211 4.991 -10.786 2.887 1.00 64.31 H new ATOM 1889 N ARG C 212 6.104 -14.076 3.993 1.00 50.54 N ATOM 1890 CA ARG C 212 6.574 -14.482 5.303 1.00 70.04 C ATOM 1891 C ARG C 212 7.717 -13.549 5.716 1.00 1.24 C ATOM 1892 O ARG C 212 7.632 -12.866 6.727 1.00 64.40 O ATOM 1893 CB ARG C 212 7.021 -15.971 5.233 1.00 74.24 C ATOM 1894 CG ARG C 212 7.114 -16.802 6.560 1.00 21.24 C ATOM 1895 CD ARG C 212 8.233 -16.408 7.534 1.00 41.14 C ATOM 1896 NE ARG C 212 8.003 -15.151 8.229 1.00 64.33 N ATOM 1897 CZ ARG C 212 8.839 -14.598 9.103 1.00 12.45 C ATOM 1898 NH1 ARG C 212 9.938 -15.241 9.476 1.00 60.53 N ATOM 1899 NH2 ARG C 212 8.554 -13.417 9.625 1.00 4.24 N ATOM 0 H ARG C 212 6.590 -14.505 3.206 1.00 50.54 H new ATOM 0 HA ARG C 212 5.789 -14.407 6.055 1.00 70.04 H new ATOM 0 HB2 ARG C 212 6.331 -16.490 4.568 1.00 74.24 H new ATOM 0 HB3 ARG C 212 8.002 -15.998 4.759 1.00 74.24 H new ATOM 0 HG2 ARG C 212 6.161 -16.719 7.083 1.00 21.24 H new ATOM 0 HG3 ARG C 212 7.243 -17.852 6.297 1.00 21.24 H new ATOM 0 HD2 ARG C 212 8.353 -17.201 8.272 1.00 41.14 H new ATOM 0 HD3 ARG C 212 9.171 -16.340 6.983 1.00 41.14 H new ATOM 0 HE ARG C 212 7.134 -14.656 8.031 1.00 64.33 H new ATOM 0 HH11 ARG C 212 10.144 -16.163 9.092 1.00 60.53 H new ATOM 0 HH12 ARG C 212 10.576 -14.813 10.147 1.00 60.53 H new ATOM 0 HH21 ARG C 212 7.696 -12.934 9.357 1.00 4.24 H new ATOM 0 HH22 ARG C 212 9.192 -12.989 10.296 1.00 4.24 H new ATOM 1913 N PHE C 213 8.746 -13.487 4.904 1.00 63.14 N ATOM 1914 CA PHE C 213 9.924 -12.695 5.224 1.00 0.10 C ATOM 1915 C PHE C 213 9.862 -11.346 4.536 1.00 11.34 C ATOM 1916 O PHE C 213 9.483 -11.261 3.378 1.00 0.51 O ATOM 1917 CB PHE C 213 11.183 -13.426 4.784 1.00 42.40 C ATOM 1918 CG PHE C 213 11.393 -14.763 5.424 1.00 5.13 C ATOM 1919 CD1 PHE C 213 12.063 -14.871 6.626 1.00 53.13 C ATOM 1920 CD2 PHE C 213 10.928 -15.915 4.815 1.00 20.33 C ATOM 1921 CE1 PHE C 213 12.265 -16.104 7.213 1.00 14.22 C ATOM 1922 CE2 PHE C 213 11.124 -17.146 5.397 1.00 34.24 C ATOM 1923 CZ PHE C 213 11.794 -17.242 6.596 1.00 25.13 C ATOM 0 H PHE C 213 8.797 -13.976 4.010 1.00 63.14 H new ATOM 0 HA PHE C 213 9.949 -12.544 6.303 1.00 0.10 H new ATOM 0 HB2 PHE C 213 11.149 -13.559 3.703 1.00 42.40 H new ATOM 0 HB3 PHE C 213 12.046 -12.796 5.001 1.00 42.40 H new ATOM 0 HD1 PHE C 213 12.433 -13.981 7.113 1.00 53.13 H new ATOM 0 HD2 PHE C 213 10.405 -15.847 3.872 1.00 20.33 H new ATOM 0 HE1 PHE C 213 12.791 -16.176 8.154 1.00 14.22 H new ATOM 0 HE2 PHE C 213 10.752 -18.037 4.913 1.00 34.24 H new ATOM 0 HZ PHE C 213 11.950 -18.208 7.052 1.00 25.13 H new ATOM 1933 N PHE C 214 10.252 -10.308 5.246 1.00 23.32 N ATOM 1934 CA PHE C 214 10.187 -8.956 4.736 1.00 32.52 C ATOM 1935 C PHE C 214 11.468 -8.141 4.991 1.00 14.23 C ATOM 1936 O PHE C 214 11.946 -8.041 6.118 1.00 53.54 O ATOM 1937 CB PHE C 214 8.906 -8.247 5.230 1.00 1.51 C ATOM 1938 CG PHE C 214 8.586 -8.455 6.696 1.00 14.22 C ATOM 1939 CD1 PHE C 214 9.156 -7.671 7.672 1.00 51.22 C ATOM 1940 CD2 PHE C 214 7.698 -9.451 7.083 1.00 62.22 C ATOM 1941 CE1 PHE C 214 8.853 -7.868 9.009 1.00 73.31 C ATOM 1942 CE2 PHE C 214 7.391 -9.652 8.412 1.00 22.21 C ATOM 1943 CZ PHE C 214 7.971 -8.859 9.376 1.00 31.31 C ATOM 0 H PHE C 214 10.623 -10.379 6.193 1.00 23.32 H new ATOM 0 HA PHE C 214 10.125 -9.025 3.650 1.00 32.52 H new ATOM 0 HB2 PHE C 214 9.005 -7.178 5.043 1.00 1.51 H new ATOM 0 HB3 PHE C 214 8.062 -8.598 4.636 1.00 1.51 H new ATOM 0 HD1 PHE C 214 9.849 -6.891 7.392 1.00 51.22 H new ATOM 0 HD2 PHE C 214 7.241 -10.077 6.331 1.00 62.22 H new ATOM 0 HE1 PHE C 214 9.309 -7.244 9.764 1.00 73.31 H new ATOM 0 HE2 PHE C 214 6.697 -10.430 8.696 1.00 22.21 H new ATOM 0 HZ PHE C 214 7.735 -9.014 10.418 1.00 31.31 H new ATOM 1953 N GLU C 215 11.977 -7.574 3.915 1.00 13.32 N ATOM 1954 CA GLU C 215 13.212 -6.780 3.831 1.00 44.43 C ATOM 1955 C GLU C 215 13.179 -5.485 4.631 1.00 35.11 C ATOM 1956 O GLU C 215 12.117 -4.900 4.870 1.00 14.24 O ATOM 1957 CB GLU C 215 13.491 -6.429 2.361 1.00 1.03 C ATOM 1958 CG GLU C 215 14.111 -7.530 1.516 1.00 33.32 C ATOM 1959 CD GLU C 215 13.415 -8.894 1.589 1.00 64.54 C ATOM 1960 OE1 GLU C 215 12.410 -9.100 0.880 1.00 11.11 O ATOM 1961 OE2 GLU C 215 13.899 -9.791 2.314 1.00 2.22 O ATOM 0 H GLU C 215 11.516 -7.654 3.009 1.00 13.32 H new ATOM 0 HA GLU C 215 13.996 -7.402 4.262 1.00 44.43 H new ATOM 0 HB2 GLU C 215 12.552 -6.127 1.896 1.00 1.03 H new ATOM 0 HB3 GLU C 215 14.152 -5.563 2.335 1.00 1.03 H new ATOM 0 HG2 GLU C 215 14.121 -7.203 0.476 1.00 33.32 H new ATOM 0 HG3 GLU C 215 15.150 -7.656 1.821 1.00 33.32 H new ATOM 1968 N SER C 216 14.361 -5.037 5.035 1.00 11.52 N ATOM 1969 CA SER C 216 14.480 -3.792 5.740 1.00 73.45 C ATOM 1970 C SER C 216 15.453 -2.813 5.041 1.00 15.44 C ATOM 1971 O SER C 216 15.124 -1.656 4.830 1.00 10.03 O ATOM 1972 CB SER C 216 14.858 -4.015 7.198 1.00 64.42 C ATOM 1973 OG SER C 216 16.069 -4.732 7.316 1.00 55.02 O ATOM 0 H SER C 216 15.243 -5.525 4.881 1.00 11.52 H new ATOM 0 HA SER C 216 13.497 -3.321 5.722 1.00 73.45 H new ATOM 0 HB2 SER C 216 14.953 -3.053 7.701 1.00 64.42 H new ATOM 0 HB3 SER C 216 14.060 -4.561 7.702 1.00 64.42 H new ATOM 0 HG SER C 216 16.449 -4.588 8.208 1.00 55.02 H new ATOM 1979 N HIS C 217 16.647 -3.259 4.681 1.00 21.34 N ATOM 1980 CA HIS C 217 17.579 -2.356 3.989 1.00 43.04 C ATOM 1981 C HIS C 217 17.245 -2.227 2.529 1.00 62.24 C ATOM 1982 O HIS C 217 17.858 -2.836 1.667 1.00 23.34 O ATOM 1983 CB HIS C 217 19.066 -2.679 4.217 1.00 55.03 C ATOM 1984 CG HIS C 217 19.537 -2.425 5.613 1.00 42.40 C ATOM 1985 ND1 HIS C 217 20.549 -1.549 5.915 1.00 34.52 N ATOM 1986 CD2 HIS C 217 19.154 -2.958 6.786 1.00 21.45 C ATOM 1987 CE1 HIS C 217 20.770 -1.563 7.208 1.00 31.21 C ATOM 1988 NE2 HIS C 217 19.934 -2.412 7.765 1.00 64.32 N ATOM 0 H HIS C 217 16.993 -4.204 4.845 1.00 21.34 H new ATOM 0 HA HIS C 217 17.433 -1.381 4.455 1.00 43.04 H new ATOM 0 HB2 HIS C 217 19.242 -3.726 3.970 1.00 55.03 H new ATOM 0 HB3 HIS C 217 19.666 -2.084 3.528 1.00 55.03 H new ATOM 0 HD2 HIS C 217 18.370 -3.687 6.929 1.00 21.45 H new ATOM 0 HE1 HIS C 217 21.513 -0.976 7.728 1.00 31.21 H new ATOM 0 HE2 HIS C 217 19.878 -2.626 8.761 1.00 64.32 H new ATOM 1997 N VAL C 218 16.239 -1.477 2.283 1.00 51.12 N ATOM 1998 CA VAL C 218 15.724 -1.242 0.990 1.00 41.21 C ATOM 1999 C VAL C 218 15.198 0.189 0.944 1.00 14.52 C ATOM 2000 O VAL C 218 14.647 0.672 1.924 1.00 34.52 O ATOM 2001 CB VAL C 218 14.650 -2.331 0.622 1.00 72.35 C ATOM 2002 CG1 VAL C 218 13.596 -2.488 1.684 1.00 41.22 C ATOM 2003 CG2 VAL C 218 14.035 -2.107 -0.752 1.00 31.44 C ATOM 0 H VAL C 218 15.727 -0.986 3.015 1.00 51.12 H new ATOM 0 HA VAL C 218 16.498 -1.335 0.228 1.00 41.21 H new ATOM 0 HB VAL C 218 15.192 -3.275 0.574 1.00 72.35 H new ATOM 0 HG11 VAL C 218 12.882 -3.252 1.377 1.00 41.22 H new ATOM 0 HG12 VAL C 218 14.066 -2.786 2.622 1.00 41.22 H new ATOM 0 HG13 VAL C 218 13.076 -1.540 1.824 1.00 41.22 H new ATOM 0 HG21 VAL C 218 13.301 -2.887 -0.954 1.00 31.44 H new ATOM 0 HG22 VAL C 218 13.546 -1.133 -0.777 1.00 31.44 H new ATOM 0 HG23 VAL C 218 14.817 -2.140 -1.510 1.00 31.44 H new ATOM 2013 N ALA C 219 15.424 0.857 -0.163 1.00 44.31 N ATOM 2014 CA ALA C 219 15.149 2.277 -0.312 1.00 53.21 C ATOM 2015 C ALA C 219 13.897 2.528 -1.108 1.00 25.24 C ATOM 2016 O ALA C 219 13.647 1.838 -2.103 1.00 25.20 O ATOM 2017 CB ALA C 219 16.330 2.979 -0.960 1.00 53.41 C ATOM 0 H ALA C 219 15.811 0.426 -1.003 1.00 44.31 H new ATOM 0 HA ALA C 219 14.991 2.684 0.687 1.00 53.21 H new ATOM 0 HB1 ALA C 219 16.109 4.041 -1.065 1.00 53.41 H new ATOM 0 HB2 ALA C 219 17.215 2.852 -0.337 1.00 53.41 H new ATOM 0 HB3 ALA C 219 16.514 2.548 -1.944 1.00 53.41 H new ATOM 2023 N ARG C 220 13.087 3.508 -0.673 1.00 1.14 N ATOM 2024 CA ARG C 220 11.853 3.874 -1.395 1.00 51.23 C ATOM 2025 C ARG C 220 12.185 4.337 -2.830 1.00 11.22 C ATOM 2026 O ARG C 220 11.332 4.420 -3.690 1.00 62.35 O ATOM 2027 CB ARG C 220 11.014 4.962 -0.614 1.00 14.41 C ATOM 2028 CG ARG C 220 11.551 6.424 -0.559 1.00 60.33 C ATOM 2029 CD ARG C 220 11.372 7.136 -1.898 1.00 51.11 C ATOM 2030 NE ARG C 220 11.746 8.548 -1.880 1.00 74.51 N ATOM 2031 CZ ARG C 220 12.051 9.257 -2.986 1.00 20.22 C ATOM 2032 NH1 ARG C 220 12.238 8.636 -4.142 1.00 74.42 N ATOM 2033 NH2 ARG C 220 12.179 10.572 -2.927 1.00 12.55 N ATOM 0 H ARG C 220 13.261 4.058 0.168 1.00 1.14 H new ATOM 0 HA ARG C 220 11.227 2.984 -1.460 1.00 51.23 H new ATOM 0 HB2 ARG C 220 10.018 4.992 -1.057 1.00 14.41 H new ATOM 0 HB3 ARG C 220 10.896 4.614 0.412 1.00 14.41 H new ATOM 0 HG2 ARG C 220 11.027 6.976 0.221 1.00 60.33 H new ATOM 0 HG3 ARG C 220 12.607 6.415 -0.289 1.00 60.33 H new ATOM 0 HD2 ARG C 220 11.969 6.623 -2.652 1.00 51.11 H new ATOM 0 HD3 ARG C 220 10.330 7.052 -2.205 1.00 51.11 H new ATOM 0 HE ARG C 220 11.778 9.025 -0.979 1.00 74.51 H new ATOM 0 HH11 ARG C 220 12.151 7.621 -4.196 1.00 74.42 H new ATOM 0 HH12 ARG C 220 12.469 9.173 -4.978 1.00 74.42 H new ATOM 0 HH21 ARG C 220 12.047 11.058 -2.040 1.00 12.55 H new ATOM 0 HH22 ARG C 220 12.410 11.100 -3.768 1.00 12.55 H new ATOM 2047 N ALA C 221 13.439 4.656 -3.036 1.00 11.01 N ATOM 2048 CA ALA C 221 13.944 5.113 -4.302 1.00 34.21 C ATOM 2049 C ALA C 221 14.207 3.939 -5.255 1.00 0.32 C ATOM 2050 O ALA C 221 14.474 4.147 -6.452 1.00 5.15 O ATOM 2051 CB ALA C 221 15.219 5.903 -4.071 1.00 11.10 C ATOM 0 H ALA C 221 14.152 4.603 -2.309 1.00 11.01 H new ATOM 0 HA ALA C 221 13.194 5.751 -4.770 1.00 34.21 H new ATOM 0 HB1 ALA C 221 15.608 6.253 -5.027 1.00 11.10 H new ATOM 0 HB2 ALA C 221 15.006 6.759 -3.431 1.00 11.10 H new ATOM 0 HB3 ALA C 221 15.960 5.265 -3.589 1.00 11.10 H new ATOM 2057 N ASN C 222 14.158 2.713 -4.725 1.00 14.24 N ATOM 2058 CA ASN C 222 14.457 1.529 -5.529 1.00 55.34 C ATOM 2059 C ASN C 222 13.197 0.653 -5.712 1.00 72.10 C ATOM 2060 O ASN C 222 13.200 -0.322 -6.474 1.00 52.44 O ATOM 2061 CB ASN C 222 15.607 0.723 -4.882 1.00 61.40 C ATOM 2062 CG ASN C 222 16.208 -0.332 -5.809 1.00 23.14 C ATOM 2063 OD1 ASN C 222 15.735 -1.548 -5.744 1.00 34.34 O flip ATOM 2064 ND2 ASN C 222 17.136 -0.029 -6.571 1.00 53.03 N flip ATOM 0 H ASN C 222 13.917 2.518 -3.753 1.00 14.24 H new ATOM 0 HA ASN C 222 14.778 1.853 -6.519 1.00 55.34 H new ATOM 0 HB2 ASN C 222 16.392 1.412 -4.571 1.00 61.40 H new ATOM 0 HB3 ASN C 222 15.236 0.235 -3.981 1.00 61.40 H new ATOM 0 HD21 ASN C 222 17.482 0.930 -6.597 1.00 53.03 H new ATOM 0 HD22 ASN C 222 17.554 -0.739 -7.172 1.00 53.03 H new ATOM 2071 N VAL C 223 12.134 1.004 -5.015 1.00 5.05 N ATOM 2072 CA VAL C 223 10.860 0.300 -5.150 1.00 32.12 C ATOM 2073 C VAL C 223 10.009 1.057 -6.148 1.00 42.41 C ATOM 2074 O VAL C 223 10.111 2.251 -6.218 1.00 43.21 O ATOM 2075 CB VAL C 223 10.086 0.218 -3.793 1.00 63.15 C ATOM 2076 CG1 VAL C 223 10.896 -0.522 -2.744 1.00 22.04 C ATOM 2077 CG2 VAL C 223 9.714 1.604 -3.286 1.00 64.41 C ATOM 0 H VAL C 223 12.121 1.774 -4.346 1.00 5.05 H new ATOM 0 HA VAL C 223 11.063 -0.719 -5.480 1.00 32.12 H new ATOM 0 HB VAL C 223 9.167 -0.339 -3.977 1.00 63.15 H new ATOM 0 HG11 VAL C 223 10.333 -0.563 -1.812 1.00 22.04 H new ATOM 0 HG12 VAL C 223 11.100 -1.535 -3.090 1.00 22.04 H new ATOM 0 HG13 VAL C 223 11.838 0.000 -2.576 1.00 22.04 H new ATOM 0 HG21 VAL C 223 9.177 1.514 -2.342 1.00 64.41 H new ATOM 0 HG22 VAL C 223 10.620 2.191 -3.134 1.00 64.41 H new ATOM 0 HG23 VAL C 223 9.078 2.101 -4.019 1.00 64.41 H new ATOM 2087 N LYS C 224 9.194 0.367 -6.916 1.00 33.33 N ATOM 2088 CA LYS C 224 8.347 1.033 -7.899 1.00 62.21 C ATOM 2089 C LYS C 224 7.013 1.434 -7.297 1.00 61.44 C ATOM 2090 O LYS C 224 6.402 2.426 -7.698 1.00 22.13 O ATOM 2091 CB LYS C 224 8.114 0.163 -9.134 1.00 73.03 C ATOM 2092 CG LYS C 224 9.392 -0.202 -9.832 1.00 53.24 C ATOM 2093 CD LYS C 224 9.172 -0.781 -11.229 1.00 4.45 C ATOM 2094 CE LYS C 224 8.409 -2.079 -11.236 1.00 21.43 C ATOM 2095 NZ LYS C 224 8.256 -2.605 -12.625 1.00 23.44 N ATOM 0 H LYS C 224 9.095 -0.648 -6.885 1.00 33.33 H new ATOM 0 HA LYS C 224 8.879 1.932 -8.209 1.00 62.21 H new ATOM 0 HB2 LYS C 224 7.592 -0.748 -8.839 1.00 73.03 H new ATOM 0 HB3 LYS C 224 7.463 0.693 -9.829 1.00 73.03 H new ATOM 0 HG2 LYS C 224 10.022 0.684 -9.908 1.00 53.24 H new ATOM 0 HG3 LYS C 224 9.934 -0.928 -9.226 1.00 53.24 H new ATOM 0 HD2 LYS C 224 8.634 -0.051 -11.834 1.00 4.45 H new ATOM 0 HD3 LYS C 224 10.141 -0.937 -11.704 1.00 4.45 H new ATOM 0 HE2 LYS C 224 8.929 -2.813 -10.621 1.00 21.43 H new ATOM 0 HE3 LYS C 224 7.426 -1.929 -10.790 1.00 21.43 H new ATOM 0 HZ1 LYS C 224 7.727 -3.500 -12.601 1.00 23.44 H new ATOM 0 HZ2 LYS C 224 7.739 -1.912 -13.204 1.00 23.44 H new ATOM 0 HZ3 LYS C 224 9.196 -2.770 -13.039 1.00 23.44 H new ATOM 2109 N HIS C 225 6.550 0.635 -6.359 1.00 51.02 N ATOM 2110 CA HIS C 225 5.307 0.920 -5.649 1.00 30.31 C ATOM 2111 C HIS C 225 5.214 0.028 -4.433 1.00 34.13 C ATOM 2112 O HIS C 225 5.996 -0.918 -4.299 1.00 70.52 O ATOM 2113 CB HIS C 225 4.022 0.728 -6.545 1.00 63.41 C ATOM 2114 CG HIS C 225 3.600 -0.707 -6.857 1.00 3.11 C ATOM 2115 ND1 HIS C 225 3.156 -1.703 -6.038 1.00 33.41 N flip ATOM 2116 CD2 HIS C 225 3.538 -1.237 -8.130 1.00 42.53 C flip ATOM 2117 CE1 HIS C 225 2.856 -2.771 -6.812 1.00 73.32 C flip ATOM 2118 NE2 HIS C 225 3.084 -2.481 -8.055 1.00 12.20 N flip ATOM 0 H HIS C 225 7.014 -0.224 -6.064 1.00 51.02 H new ATOM 0 HA HIS C 225 5.335 1.971 -5.360 1.00 30.31 H new ATOM 0 HB2 HIS C 225 3.188 1.226 -6.051 1.00 63.41 H new ATOM 0 HB3 HIS C 225 4.188 1.245 -7.490 1.00 63.41 H new ATOM 0 HD2 HIS C 225 3.814 -0.723 -9.039 1.00 42.53 H new ATOM 0 HE1 HIS C 225 2.484 -3.718 -6.451 1.00 73.32 H new ATOM 0 HE2 HIS C 225 2.938 -3.108 -8.846 1.00 12.20 H new ATOM 2127 N LEU C 226 4.226 0.273 -3.606 1.00 15.32 N ATOM 2128 CA LEU C 226 3.990 -0.523 -2.418 1.00 55.13 C ATOM 2129 C LEU C 226 2.646 -1.208 -2.554 1.00 0.04 C ATOM 2130 O LEU C 226 1.759 -0.707 -3.224 1.00 0.45 O ATOM 2131 CB LEU C 226 4.000 0.339 -1.126 1.00 71.30 C ATOM 2132 CG LEU C 226 5.338 0.981 -0.673 1.00 2.44 C ATOM 2133 CD1 LEU C 226 5.874 1.998 -1.673 1.00 44.12 C ATOM 2134 CD2 LEU C 226 5.168 1.619 0.691 1.00 51.42 C ATOM 0 H LEU C 226 3.558 1.033 -3.736 1.00 15.32 H new ATOM 0 HA LEU C 226 4.794 -1.253 -2.331 1.00 55.13 H new ATOM 0 HB2 LEU C 226 3.275 1.142 -1.258 1.00 71.30 H new ATOM 0 HB3 LEU C 226 3.639 -0.285 -0.309 1.00 71.30 H new ATOM 0 HG LEU C 226 6.076 0.181 -0.616 1.00 2.44 H new ATOM 0 HD11 LEU C 226 6.811 2.413 -1.303 1.00 44.12 H new ATOM 0 HD12 LEU C 226 6.048 1.509 -2.632 1.00 44.12 H new ATOM 0 HD13 LEU C 226 5.147 2.800 -1.801 1.00 44.12 H new ATOM 0 HD21 LEU C 226 6.111 2.068 1.003 1.00 51.42 H new ATOM 0 HD22 LEU C 226 4.399 2.390 0.639 1.00 51.42 H new ATOM 0 HD23 LEU C 226 4.871 0.859 1.414 1.00 51.42 H new ATOM 2146 N LYS C 227 2.519 -2.354 -1.982 1.00 65.33 N ATOM 2147 CA LYS C 227 1.295 -3.103 -2.016 1.00 42.21 C ATOM 2148 C LYS C 227 1.119 -3.790 -0.673 1.00 51.21 C ATOM 2149 O LYS C 227 1.926 -4.600 -0.287 1.00 50.04 O ATOM 2150 CB LYS C 227 1.350 -4.104 -3.194 1.00 25.52 C ATOM 2151 CG LYS C 227 0.144 -5.015 -3.336 1.00 2.40 C ATOM 2152 CD LYS C 227 0.215 -5.874 -4.609 1.00 22.33 C ATOM 2153 CE LYS C 227 1.498 -6.682 -4.691 1.00 1.13 C ATOM 2154 NZ LYS C 227 1.513 -7.618 -5.836 1.00 33.43 N ATOM 0 H LYS C 227 3.271 -2.812 -1.467 1.00 65.33 H new ATOM 0 HA LYS C 227 0.432 -2.458 -2.180 1.00 42.21 H new ATOM 0 HB2 LYS C 227 1.469 -3.542 -4.120 1.00 25.52 H new ATOM 0 HB3 LYS C 227 2.240 -4.723 -3.080 1.00 25.52 H new ATOM 0 HG2 LYS C 227 0.077 -5.665 -2.464 1.00 2.40 H new ATOM 0 HG3 LYS C 227 -0.764 -4.413 -3.356 1.00 2.40 H new ATOM 0 HD2 LYS C 227 -0.639 -6.550 -4.636 1.00 22.33 H new ATOM 0 HD3 LYS C 227 0.139 -5.229 -5.484 1.00 22.33 H new ATOM 0 HE2 LYS C 227 2.346 -6.002 -4.772 1.00 1.13 H new ATOM 0 HE3 LYS C 227 1.628 -7.244 -3.766 1.00 1.13 H new ATOM 0 HZ1 LYS C 227 2.183 -8.390 -5.644 1.00 33.43 H new ATOM 0 HZ2 LYS C 227 0.561 -8.012 -5.975 1.00 33.43 H new ATOM 0 HZ3 LYS C 227 1.806 -7.111 -6.695 1.00 33.43 H new ATOM 2168 N ILE C 228 0.075 -3.465 0.017 1.00 43.44 N ATOM 2169 CA ILE C 228 -0.107 -3.944 1.363 1.00 3.41 C ATOM 2170 C ILE C 228 -1.130 -5.074 1.407 1.00 3.32 C ATOM 2171 O ILE C 228 -2.258 -4.945 0.868 1.00 72.22 O ATOM 2172 CB ILE C 228 -0.558 -2.798 2.317 1.00 63.45 C ATOM 2173 CG1 ILE C 228 0.404 -1.601 2.203 1.00 41.23 C ATOM 2174 CG2 ILE C 228 -0.581 -3.302 3.762 1.00 62.45 C ATOM 2175 CD1 ILE C 228 0.015 -0.404 3.052 1.00 60.33 C ATOM 0 H ILE C 228 -0.675 -2.865 -0.326 1.00 43.44 H new ATOM 0 HA ILE C 228 0.857 -4.322 1.702 1.00 3.41 H new ATOM 0 HB ILE C 228 -1.560 -2.478 2.030 1.00 63.45 H new ATOM 0 HG12 ILE C 228 1.404 -1.925 2.490 1.00 41.23 H new ATOM 0 HG13 ILE C 228 0.456 -1.290 1.160 1.00 41.23 H new ATOM 0 HG21 ILE C 228 -0.897 -2.496 4.424 1.00 62.45 H new ATOM 0 HG22 ILE C 228 -1.279 -4.135 3.846 1.00 62.45 H new ATOM 0 HG23 ILE C 228 0.417 -3.635 4.047 1.00 62.45 H new ATOM 0 HD11 ILE C 228 0.745 0.393 2.913 1.00 60.33 H new ATOM 0 HD12 ILE C 228 -0.971 -0.050 2.752 1.00 60.33 H new ATOM 0 HD13 ILE C 228 -0.008 -0.695 4.102 1.00 60.33 H new ATOM 2187 N LEU C 229 -0.706 -6.169 2.031 1.00 3.45 N ATOM 2188 CA LEU C 229 -1.493 -7.372 2.272 1.00 25.01 C ATOM 2189 C LEU C 229 -1.576 -7.574 3.781 1.00 21.51 C ATOM 2190 O LEU C 229 -0.643 -8.071 4.387 1.00 75.43 O ATOM 2191 CB LEU C 229 -0.814 -8.633 1.635 1.00 23.44 C ATOM 2192 CG LEU C 229 -0.870 -8.847 0.099 1.00 21.21 C ATOM 2193 CD1 LEU C 229 -2.284 -9.079 -0.356 1.00 30.22 C ATOM 2194 CD2 LEU C 229 -0.223 -7.712 -0.688 1.00 14.20 C ATOM 0 H LEU C 229 0.242 -6.244 2.400 1.00 3.45 H new ATOM 0 HA LEU C 229 -2.479 -7.252 1.823 1.00 25.01 H new ATOM 0 HB2 LEU C 229 0.237 -8.616 1.923 1.00 23.44 H new ATOM 0 HB3 LEU C 229 -1.258 -9.512 2.102 1.00 23.44 H new ATOM 0 HG LEU C 229 -0.281 -9.740 -0.111 1.00 21.21 H new ATOM 0 HD11 LEU C 229 -2.299 -9.227 -1.436 1.00 30.22 H new ATOM 0 HD12 LEU C 229 -2.684 -9.965 0.137 1.00 30.22 H new ATOM 0 HD13 LEU C 229 -2.895 -8.214 -0.099 1.00 30.22 H new ATOM 0 HD21 LEU C 229 -0.295 -7.922 -1.755 1.00 14.20 H new ATOM 0 HD22 LEU C 229 -0.737 -6.777 -0.467 1.00 14.20 H new ATOM 0 HD23 LEU C 229 0.826 -7.625 -0.405 1.00 14.20 H new ATOM 2206 N ASN C 230 -2.651 -7.166 4.388 1.00 60.31 N ATOM 2207 CA ASN C 230 -2.731 -7.237 5.840 1.00 22.31 C ATOM 2208 C ASN C 230 -3.544 -8.440 6.296 1.00 35.23 C ATOM 2209 O ASN C 230 -4.659 -8.665 5.821 1.00 44.43 O ATOM 2210 CB ASN C 230 -3.343 -5.945 6.406 1.00 13.41 C ATOM 2211 CG ASN C 230 -3.317 -5.881 7.922 1.00 5.10 C ATOM 2212 OD1 ASN C 230 -4.230 -6.343 8.600 1.00 4.33 O ATOM 2213 ND2 ASN C 230 -2.298 -5.266 8.460 1.00 44.11 N ATOM 0 H ASN C 230 -3.476 -6.786 3.924 1.00 60.31 H new ATOM 0 HA ASN C 230 -1.716 -7.351 6.221 1.00 22.31 H new ATOM 0 HB2 ASN C 230 -2.802 -5.089 6.004 1.00 13.41 H new ATOM 0 HB3 ASN C 230 -4.374 -5.860 6.064 1.00 13.41 H new ATOM 0 HD21 ASN C 230 -2.244 -5.158 9.473 1.00 44.11 H new ATOM 0 HD22 ASN C 230 -1.556 -4.894 7.867 1.00 44.11 H new ATOM 2220 N THR C 231 -2.971 -9.227 7.172 1.00 4.54 N ATOM 2221 CA THR C 231 -3.668 -10.321 7.791 1.00 21.30 C ATOM 2222 C THR C 231 -3.779 -10.036 9.289 1.00 60.42 C ATOM 2223 O THR C 231 -2.937 -9.338 9.841 1.00 40.14 O ATOM 2224 CB THR C 231 -2.929 -11.670 7.570 1.00 52.33 C ATOM 2225 OG1 THR C 231 -1.583 -11.584 8.054 1.00 31.24 O ATOM 2226 CG2 THR C 231 -2.906 -12.049 6.111 1.00 44.10 C ATOM 0 H THR C 231 -2.003 -9.124 7.476 1.00 4.54 H new ATOM 0 HA THR C 231 -4.656 -10.409 7.338 1.00 21.30 H new ATOM 0 HB THR C 231 -3.472 -12.437 8.123 1.00 52.33 H new ATOM 0 HG1 THR C 231 -1.287 -12.468 8.355 1.00 31.24 H new ATOM 0 HG21 THR C 231 -2.382 -12.997 5.990 1.00 44.10 H new ATOM 0 HG22 THR C 231 -3.928 -12.150 5.745 1.00 44.10 H new ATOM 0 HG23 THR C 231 -2.391 -11.275 5.542 1.00 44.10 H new ATOM 2234 N PRO C 232 -4.805 -10.549 9.974 1.00 34.43 N ATOM 2235 CA PRO C 232 -4.948 -10.355 11.419 1.00 75.52 C ATOM 2236 C PRO C 232 -4.124 -11.384 12.204 1.00 71.51 C ATOM 2237 O PRO C 232 -4.107 -11.391 13.433 1.00 43.10 O ATOM 2238 CB PRO C 232 -6.437 -10.592 11.639 1.00 52.41 C ATOM 2239 CG PRO C 232 -6.806 -11.603 10.606 1.00 55.34 C ATOM 2240 CD PRO C 232 -5.926 -11.329 9.408 1.00 13.01 C ATOM 0 HA PRO C 232 -4.599 -9.379 11.755 1.00 75.52 H new ATOM 0 HB2 PRO C 232 -6.637 -10.960 12.645 1.00 52.41 H new ATOM 0 HB3 PRO C 232 -7.009 -9.672 11.517 1.00 52.41 H new ATOM 0 HG2 PRO C 232 -6.650 -12.615 10.980 1.00 55.34 H new ATOM 0 HG3 PRO C 232 -7.860 -11.521 10.341 1.00 55.34 H new ATOM 0 HD2 PRO C 232 -5.579 -12.253 8.945 1.00 13.01 H new ATOM 0 HD3 PRO C 232 -6.458 -10.768 8.639 1.00 13.01 H new ATOM 2248 N ASN C 233 -3.448 -12.249 11.471 1.00 52.22 N ATOM 2249 CA ASN C 233 -2.643 -13.321 12.052 1.00 2.21 C ATOM 2250 C ASN C 233 -1.175 -12.928 12.064 1.00 24.13 C ATOM 2251 O ASN C 233 -0.359 -13.537 12.738 1.00 71.11 O ATOM 2252 CB ASN C 233 -2.844 -14.617 11.228 1.00 73.12 C ATOM 2253 CG ASN C 233 -2.076 -15.832 11.759 1.00 52.40 C ATOM 2254 OD1 ASN C 233 -2.581 -16.570 12.605 1.00 51.15 O ATOM 2255 ND2 ASN C 233 -0.880 -16.065 11.246 1.00 21.53 N ATOM 0 H ASN C 233 -3.438 -12.232 10.451 1.00 52.22 H new ATOM 0 HA ASN C 233 -2.961 -13.494 13.080 1.00 2.21 H new ATOM 0 HB2 ASN C 233 -3.907 -14.857 11.205 1.00 73.12 H new ATOM 0 HB3 ASN C 233 -2.537 -14.430 10.199 1.00 73.12 H new ATOM 0 HD21 ASN C 233 -0.344 -16.878 11.550 1.00 21.53 H new ATOM 0 HD22 ASN C 233 -0.493 -15.432 10.546 1.00 21.53 H new ATOM 2262 N CYS C 234 -0.852 -11.901 11.333 1.00 71.33 N ATOM 2263 CA CYS C 234 0.520 -11.476 11.192 1.00 43.40 C ATOM 2264 C CYS C 234 0.563 -9.991 11.320 1.00 64.03 C ATOM 2265 O CYS C 234 -0.483 -9.342 11.247 1.00 11.04 O ATOM 2266 CB CYS C 234 1.058 -11.868 9.812 1.00 12.21 C ATOM 2267 SG CYS C 234 0.734 -13.602 9.349 1.00 4.20 S ATOM 0 H CYS C 234 -1.525 -11.333 10.818 1.00 71.33 H new ATOM 0 HA CYS C 234 1.130 -11.953 11.959 1.00 43.40 H new ATOM 0 HB2 CYS C 234 0.613 -11.214 9.062 1.00 12.21 H new ATOM 0 HB3 CYS C 234 2.134 -11.693 9.790 1.00 12.21 H new ATOM 2272 N ALA C 235 1.731 -9.446 11.576 1.00 44.21 N ATOM 2273 CA ALA C 235 1.913 -8.013 11.553 1.00 11.52 C ATOM 2274 C ALA C 235 1.635 -7.509 10.134 1.00 70.42 C ATOM 2275 O ALA C 235 1.532 -8.321 9.191 1.00 14.11 O ATOM 2276 CB ALA C 235 3.330 -7.659 11.974 1.00 14.00 C ATOM 0 H ALA C 235 2.572 -9.976 11.803 1.00 44.21 H new ATOM 0 HA ALA C 235 1.224 -7.539 12.252 1.00 11.52 H new ATOM 0 HB1 ALA C 235 3.456 -6.577 11.953 1.00 14.00 H new ATOM 0 HB2 ALA C 235 3.512 -8.026 12.984 1.00 14.00 H new ATOM 0 HB3 ALA C 235 4.040 -8.120 11.287 1.00 14.00 H new ATOM 2282 N CYS C 236 1.504 -6.207 9.977 1.00 64.12 N ATOM 2283 CA CYS C 236 1.197 -5.624 8.680 1.00 74.53 C ATOM 2284 C CYS C 236 2.250 -6.070 7.652 1.00 44.44 C ATOM 2285 O CYS C 236 3.436 -6.091 7.939 1.00 72.32 O ATOM 2286 CB CYS C 236 1.119 -4.091 8.783 1.00 52.13 C ATOM 2287 SG CYS C 236 0.459 -3.266 7.287 1.00 14.41 S ATOM 0 H CYS C 236 1.605 -5.528 10.732 1.00 64.12 H new ATOM 0 HA CYS C 236 0.222 -5.977 8.345 1.00 74.53 H new ATOM 0 HB2 CYS C 236 0.492 -3.828 9.635 1.00 52.13 H new ATOM 0 HB3 CYS C 236 2.116 -3.701 8.988 1.00 52.13 H new ATOM 2292 N GLN C 237 1.808 -6.462 6.495 1.00 74.10 N ATOM 2293 CA GLN C 237 2.694 -7.004 5.500 1.00 42.52 C ATOM 2294 C GLN C 237 2.670 -6.126 4.276 1.00 45.44 C ATOM 2295 O GLN C 237 1.601 -5.877 3.700 1.00 43.52 O ATOM 2296 CB GLN C 237 2.245 -8.414 5.115 1.00 33.53 C ATOM 2297 CG GLN C 237 3.234 -9.157 4.243 1.00 2.12 C ATOM 2298 CD GLN C 237 4.517 -9.466 4.986 1.00 64.53 C ATOM 2299 OE1 GLN C 237 5.584 -9.524 4.404 1.00 55.21 O ATOM 2300 NE2 GLN C 237 4.402 -9.698 6.271 1.00 70.43 N ATOM 0 H GLN C 237 0.829 -6.417 6.212 1.00 74.10 H new ATOM 0 HA GLN C 237 3.704 -7.045 5.907 1.00 42.52 H new ATOM 0 HB2 GLN C 237 2.073 -8.990 6.024 1.00 33.53 H new ATOM 0 HB3 GLN C 237 1.291 -8.351 4.592 1.00 33.53 H new ATOM 0 HG2 GLN C 237 2.784 -10.086 3.893 1.00 2.12 H new ATOM 0 HG3 GLN C 237 3.460 -8.560 3.360 1.00 2.12 H new ATOM 0 HE21 GLN C 237 3.488 -9.639 6.720 1.00 70.43 H new ATOM 0 HE22 GLN C 237 5.226 -9.938 6.822 1.00 70.43 H new ATOM 2309 N ILE C 238 3.815 -5.656 3.872 1.00 51.13 N ATOM 2310 CA ILE C 238 3.890 -4.812 2.723 1.00 44.10 C ATOM 2311 C ILE C 238 4.759 -5.489 1.677 1.00 74.45 C ATOM 2312 O ILE C 238 5.841 -5.966 1.977 1.00 14.34 O ATOM 2313 CB ILE C 238 4.485 -3.424 3.070 1.00 3.41 C ATOM 2314 CG1 ILE C 238 3.780 -2.850 4.309 1.00 42.24 C ATOM 2315 CG2 ILE C 238 4.292 -2.468 1.891 1.00 11.31 C ATOM 2316 CD1 ILE C 238 4.262 -1.485 4.727 1.00 21.34 C ATOM 0 H ILE C 238 4.709 -5.846 4.325 1.00 51.13 H new ATOM 0 HA ILE C 238 2.881 -4.654 2.343 1.00 44.10 H new ATOM 0 HB ILE C 238 5.549 -3.537 3.277 1.00 3.41 H new ATOM 0 HG12 ILE C 238 2.709 -2.798 4.111 1.00 42.24 H new ATOM 0 HG13 ILE C 238 3.917 -3.540 5.141 1.00 42.24 H new ATOM 0 HG21 ILE C 238 4.712 -1.494 2.140 1.00 11.31 H new ATOM 0 HG22 ILE C 238 4.798 -2.867 1.012 1.00 11.31 H new ATOM 0 HG23 ILE C 238 3.228 -2.361 1.680 1.00 11.31 H new ATOM 0 HD11 ILE C 238 3.710 -1.158 5.608 1.00 21.34 H new ATOM 0 HD12 ILE C 238 5.326 -1.531 4.961 1.00 21.34 H new ATOM 0 HD13 ILE C 238 4.099 -0.777 3.914 1.00 21.34 H new ATOM 2328 N VAL C 239 4.270 -5.541 0.487 1.00 74.22 N ATOM 2329 CA VAL C 239 4.939 -6.151 -0.633 1.00 72.24 C ATOM 2330 C VAL C 239 5.290 -5.063 -1.652 1.00 34.22 C ATOM 2331 O VAL C 239 4.450 -4.240 -1.985 1.00 50.31 O ATOM 2332 CB VAL C 239 3.992 -7.202 -1.282 1.00 51.13 C ATOM 2333 CG1 VAL C 239 4.590 -7.787 -2.540 1.00 15.33 C ATOM 2334 CG2 VAL C 239 3.665 -8.313 -0.277 1.00 34.31 C ATOM 0 H VAL C 239 3.360 -5.148 0.247 1.00 74.22 H new ATOM 0 HA VAL C 239 5.852 -6.647 -0.303 1.00 72.24 H new ATOM 0 HB VAL C 239 3.070 -6.693 -1.562 1.00 51.13 H new ATOM 0 HG11 VAL C 239 3.901 -8.517 -2.965 1.00 15.33 H new ATOM 0 HG12 VAL C 239 4.767 -6.991 -3.263 1.00 15.33 H new ATOM 0 HG13 VAL C 239 5.534 -8.276 -2.301 1.00 15.33 H new ATOM 0 HG21 VAL C 239 3.002 -9.042 -0.743 1.00 34.31 H new ATOM 0 HG22 VAL C 239 4.586 -8.807 0.032 1.00 34.31 H new ATOM 0 HG23 VAL C 239 3.174 -7.882 0.595 1.00 34.31 H new ATOM 2344 N ALA C 240 6.511 -5.040 -2.131 1.00 2.42 N ATOM 2345 CA ALA C 240 6.914 -4.020 -3.069 1.00 4.31 C ATOM 2346 C ALA C 240 7.577 -4.600 -4.294 1.00 73.13 C ATOM 2347 O ALA C 240 8.295 -5.600 -4.238 1.00 42.24 O ATOM 2348 CB ALA C 240 7.830 -2.999 -2.416 1.00 4.24 C ATOM 0 H ALA C 240 7.239 -5.712 -1.888 1.00 2.42 H new ATOM 0 HA ALA C 240 6.001 -3.518 -3.390 1.00 4.31 H new ATOM 0 HB1 ALA C 240 8.115 -2.245 -3.149 1.00 4.24 H new ATOM 0 HB2 ALA C 240 7.309 -2.520 -1.587 1.00 4.24 H new ATOM 0 HB3 ALA C 240 8.724 -3.498 -2.043 1.00 4.24 H new ATOM 2354 N ARG C 241 7.339 -3.959 -5.392 1.00 33.21 N ATOM 2355 CA ARG C 241 7.940 -4.326 -6.642 1.00 24.45 C ATOM 2356 C ARG C 241 9.127 -3.450 -6.826 1.00 3.33 C ATOM 2357 O ARG C 241 8.970 -2.245 -6.903 1.00 52.13 O ATOM 2358 CB ARG C 241 6.966 -4.067 -7.809 1.00 62.33 C ATOM 2359 CG ARG C 241 5.731 -4.944 -7.831 1.00 14.44 C ATOM 2360 CD ARG C 241 6.072 -6.382 -8.165 1.00 3.33 C ATOM 2361 NE ARG C 241 6.639 -6.524 -9.515 1.00 1.44 N ATOM 2362 CZ ARG C 241 7.029 -7.682 -10.077 1.00 13.12 C ATOM 2363 NH1 ARG C 241 6.925 -8.835 -9.413 1.00 23.44 N ATOM 2364 NH2 ARG C 241 7.522 -7.673 -11.307 1.00 61.12 N ATOM 0 H ARG C 241 6.714 -3.155 -5.451 1.00 33.21 H new ATOM 0 HA ARG C 241 8.203 -5.384 -6.632 1.00 24.45 H new ATOM 0 HB2 ARG C 241 6.650 -3.024 -7.772 1.00 62.33 H new ATOM 0 HB3 ARG C 241 7.505 -4.203 -8.747 1.00 62.33 H new ATOM 0 HG2 ARG C 241 5.238 -4.903 -6.860 1.00 14.44 H new ATOM 0 HG3 ARG C 241 5.023 -4.558 -8.564 1.00 14.44 H new ATOM 0 HD2 ARG C 241 6.784 -6.763 -7.433 1.00 3.33 H new ATOM 0 HD3 ARG C 241 5.173 -6.994 -8.085 1.00 3.33 H new ATOM 0 HE ARG C 241 6.745 -5.675 -10.070 1.00 1.44 H new ATOM 0 HH11 ARG C 241 6.546 -8.846 -8.466 1.00 23.44 H new ATOM 0 HH12 ARG C 241 7.225 -9.705 -9.852 1.00 23.44 H new ATOM 0 HH21 ARG C 241 7.603 -6.794 -11.818 1.00 61.12 H new ATOM 0 HH22 ARG C 241 7.821 -8.545 -11.743 1.00 61.12 H new ATOM 2378 N LEU C 242 10.292 -4.022 -6.851 1.00 0.55 N ATOM 2379 CA LEU C 242 11.485 -3.247 -7.085 1.00 41.12 C ATOM 2380 C LEU C 242 11.551 -2.879 -8.550 1.00 3.21 C ATOM 2381 O LEU C 242 10.823 -3.463 -9.384 1.00 60.22 O ATOM 2382 CB LEU C 242 12.748 -4.013 -6.671 1.00 42.41 C ATOM 2383 CG LEU C 242 12.847 -4.445 -5.203 1.00 0.41 C ATOM 2384 CD1 LEU C 242 14.136 -5.217 -4.959 1.00 1.32 C ATOM 2385 CD2 LEU C 242 12.766 -3.243 -4.286 1.00 35.43 C ATOM 0 H LEU C 242 10.448 -5.020 -6.713 1.00 0.55 H new ATOM 0 HA LEU C 242 11.440 -2.345 -6.475 1.00 41.12 H new ATOM 0 HB2 LEU C 242 12.823 -4.905 -7.293 1.00 42.41 H new ATOM 0 HB3 LEU C 242 13.613 -3.391 -6.901 1.00 42.41 H new ATOM 0 HG LEU C 242 12.005 -5.101 -4.982 1.00 0.41 H new ATOM 0 HD11 LEU C 242 14.189 -5.515 -3.912 1.00 1.32 H new ATOM 0 HD12 LEU C 242 14.153 -6.105 -5.591 1.00 1.32 H new ATOM 0 HD13 LEU C 242 14.990 -4.584 -5.199 1.00 1.32 H new ATOM 0 HD21 LEU C 242 12.838 -3.571 -3.249 1.00 35.43 H new ATOM 0 HD22 LEU C 242 13.586 -2.560 -4.508 1.00 35.43 H new ATOM 0 HD23 LEU C 242 11.816 -2.732 -4.440 1.00 35.43 H new ATOM 2397 N LYS C 243 12.378 -1.909 -8.871 1.00 4.32 N ATOM 2398 CA LYS C 243 12.551 -1.456 -10.234 1.00 11.11 C ATOM 2399 C LYS C 243 12.913 -2.584 -11.211 1.00 3.13 C ATOM 2400 O LYS C 243 13.347 -3.657 -10.798 1.00 2.22 O ATOM 2401 CB LYS C 243 13.463 -0.251 -10.246 1.00 1.24 C ATOM 2402 CG LYS C 243 12.794 0.869 -9.458 1.00 43.43 C ATOM 2403 CD LYS C 243 13.679 2.024 -9.116 1.00 52.11 C ATOM 2404 CE LYS C 243 14.183 2.779 -10.325 1.00 73.25 C ATOM 2405 NZ LYS C 243 14.981 3.953 -9.917 1.00 42.40 N ATOM 0 H LYS C 243 12.952 -1.410 -8.191 1.00 4.32 H new ATOM 0 HA LYS C 243 11.592 -1.122 -10.631 1.00 11.11 H new ATOM 0 HB2 LYS C 243 14.427 -0.501 -9.804 1.00 1.24 H new ATOM 0 HB3 LYS C 243 13.655 0.069 -11.270 1.00 1.24 H new ATOM 0 HG2 LYS C 243 11.946 1.240 -10.034 1.00 43.43 H new ATOM 0 HG3 LYS C 243 12.394 0.452 -8.534 1.00 43.43 H new ATOM 0 HD2 LYS C 243 13.132 2.711 -8.471 1.00 52.11 H new ATOM 0 HD3 LYS C 243 14.532 1.660 -8.544 1.00 52.11 H new ATOM 0 HE2 LYS C 243 14.790 2.119 -10.944 1.00 73.25 H new ATOM 0 HE3 LYS C 243 13.339 3.102 -10.935 1.00 73.25 H new ATOM 0 HZ1 LYS C 243 15.316 4.456 -10.763 1.00 42.40 H new ATOM 0 HZ2 LYS C 243 14.392 4.592 -9.346 1.00 42.40 H new ATOM 0 HZ3 LYS C 243 15.798 3.639 -9.354 1.00 42.40 H new ATOM 2461 N ARG C 247 14.128 -7.856 -8.330 1.00 33.34 N ATOM 2462 CA ARG C 247 13.071 -8.807 -7.992 1.00 62.31 C ATOM 2463 C ARG C 247 11.965 -8.115 -7.187 1.00 53.42 C ATOM 2464 O ARG C 247 11.999 -6.915 -7.007 1.00 43.23 O ATOM 2465 CB ARG C 247 13.679 -9.952 -7.163 1.00 21.20 C ATOM 2466 CG ARG C 247 14.422 -9.475 -5.913 1.00 74.43 C ATOM 2467 CD ARG C 247 14.998 -10.634 -5.121 1.00 34.40 C ATOM 2468 NE ARG C 247 15.786 -10.175 -3.953 1.00 71.51 N ATOM 2469 CZ ARG C 247 16.374 -10.981 -3.043 1.00 75.43 C ATOM 2470 NH1 ARG C 247 16.209 -12.292 -3.111 1.00 21.33 N ATOM 2471 NH2 ARG C 247 17.121 -10.457 -2.061 1.00 20.31 N ATOM 0 HA ARG C 247 12.634 -9.201 -8.909 1.00 62.31 H new ATOM 0 HB2 ARG C 247 12.884 -10.635 -6.864 1.00 21.20 H new ATOM 0 HB3 ARG C 247 14.367 -10.518 -7.791 1.00 21.20 H new ATOM 0 HG2 ARG C 247 15.226 -8.799 -6.204 1.00 74.43 H new ATOM 0 HG3 ARG C 247 13.741 -8.906 -5.281 1.00 74.43 H new ATOM 0 HD2 ARG C 247 14.187 -11.278 -4.780 1.00 34.40 H new ATOM 0 HD3 ARG C 247 15.632 -11.237 -5.771 1.00 34.40 H new ATOM 0 HE ARG C 247 15.893 -9.169 -3.826 1.00 71.51 H new ATOM 0 HH11 ARG C 247 15.637 -12.696 -3.852 1.00 21.33 H new ATOM 0 HH12 ARG C 247 16.654 -12.898 -2.422 1.00 21.33 H new ATOM 0 HH21 ARG C 247 17.247 -9.447 -2.000 1.00 20.31 H new ATOM 0 HH22 ARG C 247 17.564 -11.069 -1.375 1.00 20.31 H new ATOM 2485 N GLN C 248 10.990 -8.869 -6.738 1.00 25.31 N ATOM 2486 CA GLN C 248 9.935 -8.342 -5.875 1.00 32.01 C ATOM 2487 C GLN C 248 10.276 -8.706 -4.440 1.00 40.41 C ATOM 2488 O GLN C 248 10.624 -9.861 -4.164 1.00 52.03 O ATOM 2489 CB GLN C 248 8.560 -8.918 -6.296 1.00 44.33 C ATOM 2490 CG GLN C 248 7.367 -8.458 -5.443 1.00 70.14 C ATOM 2491 CD GLN C 248 6.011 -8.939 -5.983 1.00 71.32 C ATOM 2492 OE1 GLN C 248 5.990 -10.072 -6.648 1.00 45.04 O flip ATOM 2493 NE2 GLN C 248 4.981 -8.277 -5.808 1.00 43.23 N flip ATOM 0 H GLN C 248 10.897 -9.862 -6.954 1.00 25.31 H new ATOM 0 HA GLN C 248 9.869 -7.258 -5.967 1.00 32.01 H new ATOM 0 HB2 GLN C 248 8.371 -8.643 -7.334 1.00 44.33 H new ATOM 0 HB3 GLN C 248 8.614 -10.006 -6.260 1.00 44.33 H new ATOM 0 HG2 GLN C 248 7.495 -8.824 -4.424 1.00 70.14 H new ATOM 0 HG3 GLN C 248 7.364 -7.369 -5.392 1.00 70.14 H new ATOM 0 HE21 GLN C 248 5.020 -7.400 -5.289 1.00 43.23 H new ATOM 0 HE22 GLN C 248 4.092 -8.608 -6.183 1.00 43.23 H new ATOM 2502 N VAL C 249 10.197 -7.746 -3.540 1.00 41.32 N ATOM 2503 CA VAL C 249 10.573 -7.975 -2.145 1.00 71.24 C ATOM 2504 C VAL C 249 9.519 -7.406 -1.222 1.00 42.00 C ATOM 2505 O VAL C 249 8.751 -6.531 -1.613 1.00 51.44 O ATOM 2506 CB VAL C 249 11.994 -7.413 -1.745 1.00 74.31 C ATOM 2507 CG1 VAL C 249 13.092 -7.938 -2.652 1.00 14.50 C ATOM 2508 CG2 VAL C 249 12.036 -5.890 -1.648 1.00 25.44 C ATOM 0 H VAL C 249 9.877 -6.799 -3.742 1.00 41.32 H new ATOM 0 HA VAL C 249 10.639 -9.057 -2.035 1.00 71.24 H new ATOM 0 HB VAL C 249 12.184 -7.791 -0.740 1.00 74.31 H new ATOM 0 HG11 VAL C 249 14.051 -7.525 -2.339 1.00 14.50 H new ATOM 0 HG12 VAL C 249 13.127 -9.026 -2.589 1.00 14.50 H new ATOM 0 HG13 VAL C 249 12.887 -7.641 -3.681 1.00 14.50 H new ATOM 0 HG21 VAL C 249 13.040 -5.571 -1.370 1.00 25.44 H new ATOM 0 HG22 VAL C 249 11.772 -5.457 -2.613 1.00 25.44 H new ATOM 0 HG23 VAL C 249 11.326 -5.554 -0.892 1.00 25.44 H new ATOM 2518 N CYS C 250 9.476 -7.889 -0.037 1.00 3.23 N ATOM 2519 CA CYS C 250 8.505 -7.432 0.913 1.00 41.25 C ATOM 2520 C CYS C 250 9.204 -6.502 1.875 1.00 11.23 C ATOM 2521 O CYS C 250 10.392 -6.605 2.046 1.00 63.43 O ATOM 2522 CB CYS C 250 7.899 -8.632 1.642 1.00 60.22 C ATOM 2523 SG CYS C 250 7.139 -9.858 0.521 1.00 41.11 S ATOM 0 H CYS C 250 10.106 -8.611 0.312 1.00 3.23 H new ATOM 0 HA CYS C 250 7.692 -6.899 0.420 1.00 41.25 H new ATOM 0 HB2 CYS C 250 8.677 -9.121 2.229 1.00 60.22 H new ATOM 0 HB3 CYS C 250 7.145 -8.277 2.345 1.00 60.22 H new ATOM 2528 N ILE C 251 8.494 -5.575 2.452 1.00 62.43 N ATOM 2529 CA ILE C 251 9.106 -4.617 3.351 1.00 35.34 C ATOM 2530 C ILE C 251 8.557 -4.655 4.735 1.00 11.42 C ATOM 2531 O ILE C 251 7.357 -4.881 4.947 1.00 61.34 O ATOM 2532 CB ILE C 251 9.171 -3.129 2.845 1.00 74.23 C ATOM 2533 CG1 ILE C 251 7.867 -2.571 2.291 1.00 21.02 C ATOM 2534 CG2 ILE C 251 10.236 -2.934 1.855 1.00 43.51 C ATOM 2535 CD1 ILE C 251 7.432 -3.173 0.971 1.00 42.11 C ATOM 0 H ILE C 251 7.490 -5.456 2.321 1.00 62.43 H new ATOM 0 HA ILE C 251 10.136 -4.973 3.368 1.00 35.34 H new ATOM 0 HB ILE C 251 9.388 -2.564 3.752 1.00 74.23 H new ATOM 0 HG12 ILE C 251 7.078 -2.731 3.026 1.00 21.02 H new ATOM 0 HG13 ILE C 251 7.973 -1.493 2.166 1.00 21.02 H new ATOM 0 HG21 ILE C 251 10.246 -1.893 1.532 1.00 43.51 H new ATOM 0 HG22 ILE C 251 11.198 -3.185 2.302 1.00 43.51 H new ATOM 0 HG23 ILE C 251 10.056 -3.579 0.995 1.00 43.51 H new ATOM 0 HD11 ILE C 251 6.495 -2.716 0.654 1.00 42.11 H new ATOM 0 HD12 ILE C 251 8.198 -2.990 0.218 1.00 42.11 H new ATOM 0 HD13 ILE C 251 7.290 -4.247 1.090 1.00 42.11 H new ATOM 2547 N ASP C 252 9.457 -4.461 5.675 1.00 12.13 N ATOM 2548 CA ASP C 252 9.132 -4.369 7.075 1.00 24.14 C ATOM 2549 C ASP C 252 8.336 -3.082 7.298 1.00 60.43 C ATOM 2550 O ASP C 252 8.811 -1.987 6.962 1.00 44.31 O ATOM 2551 CB ASP C 252 10.432 -4.342 7.918 1.00 32.41 C ATOM 2552 CG ASP C 252 10.171 -4.375 9.411 1.00 15.42 C ATOM 2553 OD1 ASP C 252 9.610 -3.424 9.938 1.00 45.41 O ATOM 2554 OD2 ASP C 252 10.499 -5.385 10.077 1.00 4.23 O ATOM 0 H ASP C 252 10.453 -4.361 5.480 1.00 12.13 H new ATOM 0 HA ASP C 252 8.541 -5.232 7.382 1.00 24.14 H new ATOM 0 HB2 ASP C 252 11.054 -5.195 7.645 1.00 32.41 H new ATOM 0 HB3 ASP C 252 10.998 -3.443 7.674 1.00 32.41 H new ATOM 2559 N PRO C 253 7.119 -3.183 7.864 1.00 11.01 N ATOM 2560 CA PRO C 253 6.247 -2.021 8.067 1.00 5.40 C ATOM 2561 C PRO C 253 6.745 -1.042 9.151 1.00 45.22 C ATOM 2562 O PRO C 253 6.069 -0.070 9.483 1.00 74.14 O ATOM 2563 CB PRO C 253 4.902 -2.631 8.469 1.00 53.12 C ATOM 2564 CG PRO C 253 5.221 -3.984 8.999 1.00 10.52 C ATOM 2565 CD PRO C 253 6.491 -4.435 8.319 1.00 73.45 C ATOM 0 HA PRO C 253 6.205 -1.413 7.163 1.00 5.40 H new ATOM 0 HB2 PRO C 253 4.405 -2.021 9.223 1.00 53.12 H new ATOM 0 HB3 PRO C 253 4.228 -2.693 7.614 1.00 53.12 H new ATOM 0 HG2 PRO C 253 5.352 -3.954 10.081 1.00 10.52 H new ATOM 0 HG3 PRO C 253 4.407 -4.680 8.796 1.00 10.52 H new ATOM 0 HD2 PRO C 253 7.139 -4.979 9.006 1.00 73.45 H new ATOM 0 HD3 PRO C 253 6.280 -5.102 7.483 1.00 73.45 H new ATOM 2573 N LYS C 254 7.913 -1.297 9.689 1.00 23.31 N ATOM 2574 CA LYS C 254 8.478 -0.453 10.708 1.00 25.12 C ATOM 2575 C LYS C 254 9.657 0.354 10.151 1.00 31.00 C ATOM 2576 O LYS C 254 10.317 1.089 10.883 1.00 11.33 O ATOM 2577 CB LYS C 254 8.883 -1.305 11.911 1.00 1.33 C ATOM 2578 CG LYS C 254 7.698 -2.069 12.506 1.00 72.20 C ATOM 2579 CD LYS C 254 8.090 -3.037 13.626 1.00 52.14 C ATOM 2580 CE LYS C 254 9.042 -4.125 13.140 1.00 61.34 C ATOM 2581 NZ LYS C 254 8.533 -4.834 11.950 1.00 32.31 N ATOM 0 H LYS C 254 8.496 -2.094 9.432 1.00 23.31 H new ATOM 0 HA LYS C 254 7.730 0.267 11.040 1.00 25.12 H new ATOM 0 HB2 LYS C 254 9.654 -2.013 11.609 1.00 1.33 H new ATOM 0 HB3 LYS C 254 9.321 -0.664 12.676 1.00 1.33 H new ATOM 0 HG2 LYS C 254 6.973 -1.353 12.894 1.00 72.20 H new ATOM 0 HG3 LYS C 254 7.202 -2.627 11.712 1.00 72.20 H new ATOM 0 HD2 LYS C 254 8.560 -2.481 14.437 1.00 52.14 H new ATOM 0 HD3 LYS C 254 7.192 -3.499 14.036 1.00 52.14 H new ATOM 0 HE2 LYS C 254 10.009 -3.679 12.907 1.00 61.34 H new ATOM 0 HE3 LYS C 254 9.208 -4.843 13.943 1.00 61.34 H new ATOM 0 HZ1 LYS C 254 9.166 -5.627 11.722 1.00 32.31 H new ATOM 0 HZ2 LYS C 254 7.578 -5.197 12.144 1.00 32.31 H new ATOM 0 HZ3 LYS C 254 8.496 -4.178 11.144 1.00 32.31 H new ATOM 2595 N LEU C 255 9.905 0.208 8.835 1.00 71.42 N ATOM 2596 CA LEU C 255 10.920 0.983 8.141 1.00 64.22 C ATOM 2597 C LEU C 255 10.633 2.459 8.198 1.00 75.40 C ATOM 2598 O LEU C 255 9.483 2.858 8.136 1.00 1.10 O ATOM 2599 CB LEU C 255 11.032 0.550 6.682 1.00 24.21 C ATOM 2600 CG LEU C 255 11.870 -0.676 6.402 1.00 74.13 C ATOM 2601 CD1 LEU C 255 11.775 -1.049 4.920 1.00 24.52 C ATOM 2602 CD2 LEU C 255 13.299 -0.358 6.750 1.00 33.30 C ATOM 0 H LEU C 255 9.404 -0.449 8.237 1.00 71.42 H new ATOM 0 HA LEU C 255 11.864 0.793 8.651 1.00 64.22 H new ATOM 0 HB2 LEU C 255 10.026 0.369 6.302 1.00 24.21 H new ATOM 0 HB3 LEU C 255 11.444 1.382 6.110 1.00 24.21 H new ATOM 0 HG LEU C 255 11.511 -1.516 6.997 1.00 74.13 H new ATOM 0 HD11 LEU C 255 12.382 -1.934 4.728 1.00 24.52 H new ATOM 0 HD12 LEU C 255 10.737 -1.259 4.663 1.00 24.52 H new ATOM 0 HD13 LEU C 255 12.139 -0.220 4.312 1.00 24.52 H new ATOM 0 HD21 LEU C 255 13.924 -1.230 6.556 1.00 33.30 H new ATOM 0 HD22 LEU C 255 13.644 0.478 6.142 1.00 33.30 H new ATOM 0 HD23 LEU C 255 13.366 -0.092 7.805 1.00 33.30 H new ATOM 2614 N LYS C 256 11.695 3.259 8.288 1.00 34.52 N ATOM 2615 CA LYS C 256 11.594 4.719 8.360 1.00 53.40 C ATOM 2616 C LYS C 256 10.764 5.282 7.228 1.00 12.44 C ATOM 2617 O LYS C 256 9.832 6.041 7.456 1.00 53.11 O ATOM 2618 CB LYS C 256 12.968 5.347 8.302 1.00 42.01 C ATOM 2619 CG LYS C 256 12.940 6.856 8.364 1.00 4.20 C ATOM 2620 CD LYS C 256 14.311 7.404 8.186 1.00 55.11 C ATOM 2621 CE LYS C 256 14.319 8.907 8.199 1.00 62.53 C ATOM 2622 NZ LYS C 256 15.680 9.436 8.032 1.00 62.14 N ATOM 0 H LYS C 256 12.654 2.913 8.313 1.00 34.52 H new ATOM 0 HA LYS C 256 11.108 4.955 9.307 1.00 53.40 H new ATOM 0 HB2 LYS C 256 13.568 4.968 9.129 1.00 42.01 H new ATOM 0 HB3 LYS C 256 13.462 5.038 7.381 1.00 42.01 H new ATOM 0 HG2 LYS C 256 12.281 7.247 7.589 1.00 4.20 H new ATOM 0 HG3 LYS C 256 12.533 7.180 9.322 1.00 4.20 H new ATOM 0 HD2 LYS C 256 14.957 7.030 8.980 1.00 55.11 H new ATOM 0 HD3 LYS C 256 14.725 7.047 7.243 1.00 55.11 H new ATOM 0 HE2 LYS C 256 13.680 9.283 7.400 1.00 62.53 H new ATOM 0 HE3 LYS C 256 13.900 9.267 9.139 1.00 62.53 H new ATOM 0 HZ1 LYS C 256 15.652 10.476 8.045 1.00 62.14 H new ATOM 0 HZ2 LYS C 256 16.282 9.096 8.808 1.00 62.14 H new ATOM 0 HZ3 LYS C 256 16.070 9.112 7.124 1.00 62.14 H new ATOM 2636 N TRP C 257 11.098 4.908 6.003 1.00 40.41 N ATOM 2637 CA TRP C 257 10.359 5.407 4.864 1.00 70.13 C ATOM 2638 C TRP C 257 8.947 4.881 4.838 1.00 71.12 C ATOM 2639 O TRP C 257 8.087 5.511 4.306 1.00 34.54 O ATOM 2640 CB TRP C 257 11.081 5.209 3.527 1.00 44.01 C ATOM 2641 CG TRP C 257 11.407 3.799 3.170 1.00 45.21 C ATOM 2642 CD1 TRP C 257 12.493 3.099 3.564 1.00 2.45 C ATOM 2643 CD2 TRP C 257 10.657 2.926 2.312 1.00 35.42 C ATOM 2644 NE1 TRP C 257 12.472 1.858 3.015 1.00 51.01 N ATOM 2645 CE2 TRP C 257 11.361 1.721 2.242 1.00 1.51 C ATOM 2646 CE3 TRP C 257 9.462 3.049 1.597 1.00 30.11 C ATOM 2647 CZ2 TRP C 257 10.925 0.642 1.490 1.00 2.34 C ATOM 2648 CZ3 TRP C 257 9.026 1.974 0.847 1.00 61.24 C ATOM 2649 CH2 TRP C 257 9.758 0.783 0.799 1.00 52.04 C ATOM 0 H TRP C 257 11.863 4.272 5.778 1.00 40.41 H new ATOM 0 HA TRP C 257 10.300 6.487 4.998 1.00 70.13 H new ATOM 0 HB2 TRP C 257 10.462 5.631 2.735 1.00 44.01 H new ATOM 0 HB3 TRP C 257 12.008 5.783 3.547 1.00 44.01 H new ATOM 0 HD1 TRP C 257 13.265 3.472 4.220 1.00 2.45 H new ATOM 0 HE1 TRP C 257 13.180 1.139 3.160 1.00 51.01 H new ATOM 0 HE3 TRP C 257 8.892 3.965 1.630 1.00 30.11 H new ATOM 0 HZ2 TRP C 257 11.489 -0.278 1.452 1.00 2.34 H new ATOM 0 HZ3 TRP C 257 8.105 2.054 0.289 1.00 61.24 H new ATOM 0 HH2 TRP C 257 9.392 -0.040 0.203 1.00 52.04 H new ATOM 2660 N ILE C 258 8.728 3.714 5.419 1.00 35.24 N ATOM 2661 CA ILE C 258 7.380 3.191 5.541 1.00 1.42 C ATOM 2662 C ILE C 258 6.604 4.024 6.562 1.00 55.40 C ATOM 2663 O ILE C 258 5.449 4.399 6.318 1.00 42.33 O ATOM 2664 CB ILE C 258 7.358 1.685 5.932 1.00 55.23 C ATOM 2665 CG1 ILE C 258 7.954 0.811 4.799 1.00 61.23 C ATOM 2666 CG2 ILE C 258 5.939 1.249 6.263 1.00 1.45 C ATOM 2667 CD1 ILE C 258 7.164 0.864 3.517 1.00 31.23 C ATOM 0 H ILE C 258 9.457 3.117 5.809 1.00 35.24 H new ATOM 0 HA ILE C 258 6.903 3.264 4.564 1.00 1.42 H new ATOM 0 HB ILE C 258 7.978 1.549 6.818 1.00 55.23 H new ATOM 0 HG12 ILE C 258 8.975 1.136 4.600 1.00 61.23 H new ATOM 0 HG13 ILE C 258 8.009 -0.223 5.140 1.00 61.23 H new ATOM 0 HG21 ILE C 258 5.937 0.193 6.535 1.00 1.45 H new ATOM 0 HG22 ILE C 258 5.562 1.840 7.098 1.00 1.45 H new ATOM 0 HG23 ILE C 258 5.300 1.401 5.393 1.00 1.45 H new ATOM 0 HD11 ILE C 258 7.640 0.229 2.770 1.00 31.23 H new ATOM 0 HD12 ILE C 258 6.149 0.511 3.700 1.00 31.23 H new ATOM 0 HD13 ILE C 258 7.131 1.891 3.152 1.00 31.23 H new ATOM 2679 N GLN C 259 7.271 4.331 7.693 1.00 33.40 N ATOM 2680 CA GLN C 259 6.710 5.189 8.741 1.00 44.54 C ATOM 2681 C GLN C 259 6.275 6.475 8.117 1.00 5.43 C ATOM 2682 O GLN C 259 5.144 6.890 8.269 1.00 74.11 O ATOM 2683 CB GLN C 259 7.767 5.509 9.817 1.00 20.41 C ATOM 2684 CG GLN C 259 8.318 4.311 10.563 1.00 13.15 C ATOM 2685 CD GLN C 259 7.256 3.583 11.320 1.00 34.35 C ATOM 2686 OE1 GLN C 259 6.993 3.891 12.472 1.00 31.31 O ATOM 2687 NE2 GLN C 259 6.647 2.612 10.696 1.00 14.52 N ATOM 0 H GLN C 259 8.210 3.990 7.899 1.00 33.40 H new ATOM 0 HA GLN C 259 5.874 4.669 9.209 1.00 44.54 H new ATOM 0 HB2 GLN C 259 8.597 6.033 9.343 1.00 20.41 H new ATOM 0 HB3 GLN C 259 7.328 6.196 10.541 1.00 20.41 H new ATOM 0 HG2 GLN C 259 8.790 3.629 9.855 1.00 13.15 H new ATOM 0 HG3 GLN C 259 9.094 4.640 11.254 1.00 13.15 H new ATOM 0 HE21 GLN C 259 6.898 2.388 9.733 1.00 14.52 H new ATOM 0 HE22 GLN C 259 5.920 2.077 11.171 1.00 14.52 H new ATOM 2696 N GLU C 260 7.189 7.074 7.370 1.00 24.13 N ATOM 2697 CA GLU C 260 6.919 8.284 6.673 1.00 64.44 C ATOM 2698 C GLU C 260 5.848 8.108 5.617 1.00 44.42 C ATOM 2699 O GLU C 260 4.874 8.797 5.650 1.00 32.04 O ATOM 2700 CB GLU C 260 8.194 8.831 6.028 1.00 23.53 C ATOM 2701 CG GLU C 260 9.184 9.454 6.995 1.00 32.12 C ATOM 2702 CD GLU C 260 8.581 10.662 7.685 1.00 41.45 C ATOM 2703 OE1 GLU C 260 8.376 11.706 7.011 1.00 41.32 O ATOM 2704 OE2 GLU C 260 8.277 10.592 8.864 1.00 24.41 O ATOM 0 H GLU C 260 8.137 6.719 7.241 1.00 24.13 H new ATOM 0 HA GLU C 260 6.549 8.998 7.409 1.00 64.44 H new ATOM 0 HB2 GLU C 260 8.691 8.020 5.495 1.00 23.53 H new ATOM 0 HB3 GLU C 260 7.916 9.578 5.284 1.00 23.53 H new ATOM 0 HG2 GLU C 260 9.484 8.717 7.740 1.00 32.12 H new ATOM 0 HG3 GLU C 260 10.086 9.749 6.458 1.00 32.12 H new ATOM 2711 N TYR C 261 6.010 7.135 4.743 1.00 41.24 N ATOM 2712 CA TYR C 261 5.138 6.959 3.569 1.00 44.20 C ATOM 2713 C TYR C 261 3.663 6.877 3.962 1.00 61.51 C ATOM 2714 O TYR C 261 2.826 7.602 3.410 1.00 14.23 O ATOM 2715 CB TYR C 261 5.548 5.705 2.787 1.00 52.01 C ATOM 2716 CG TYR C 261 5.010 5.642 1.383 1.00 24.02 C ATOM 2717 CD1 TYR C 261 3.789 5.058 1.095 1.00 73.44 C ATOM 2718 CD2 TYR C 261 5.744 6.177 0.338 1.00 74.32 C ATOM 2719 CE1 TYR C 261 3.318 5.013 -0.199 1.00 25.12 C ATOM 2720 CE2 TYR C 261 5.285 6.139 -0.954 1.00 11.43 C ATOM 2721 CZ TYR C 261 4.072 5.558 -1.224 1.00 70.23 C ATOM 2722 OH TYR C 261 3.607 5.518 -2.520 1.00 2.24 O ATOM 0 H TYR C 261 6.748 6.435 4.815 1.00 41.24 H new ATOM 0 HA TYR C 261 5.261 7.836 2.934 1.00 44.20 H new ATOM 0 HB2 TYR C 261 6.636 5.656 2.748 1.00 52.01 H new ATOM 0 HB3 TYR C 261 5.208 4.825 3.333 1.00 52.01 H new ATOM 0 HD1 TYR C 261 3.199 4.633 1.893 1.00 73.44 H new ATOM 0 HD2 TYR C 261 6.700 6.635 0.545 1.00 74.32 H new ATOM 0 HE1 TYR C 261 2.364 4.554 -0.413 1.00 25.12 H new ATOM 0 HE2 TYR C 261 5.874 6.564 -1.753 1.00 11.43 H new ATOM 0 HH TYR C 261 4.258 5.945 -3.115 1.00 2.24 H new ATOM 2732 N LEU C 262 3.359 6.031 4.933 1.00 61.22 N ATOM 2733 CA LEU C 262 1.988 5.844 5.382 1.00 72.12 C ATOM 2734 C LEU C 262 1.480 7.123 6.017 1.00 64.52 C ATOM 2735 O LEU C 262 0.368 7.579 5.751 1.00 1.54 O ATOM 2736 CB LEU C 262 1.929 4.695 6.396 1.00 42.02 C ATOM 2737 CG LEU C 262 2.456 3.342 5.906 1.00 2.32 C ATOM 2738 CD1 LEU C 262 2.384 2.313 7.012 1.00 75.35 C ATOM 2739 CD2 LEU C 262 1.696 2.861 4.681 1.00 3.22 C ATOM 0 H LEU C 262 4.046 5.461 5.427 1.00 61.22 H new ATOM 0 HA LEU C 262 1.358 5.597 4.528 1.00 72.12 H new ATOM 0 HB2 LEU C 262 2.497 4.986 7.279 1.00 42.02 H new ATOM 0 HB3 LEU C 262 0.893 4.567 6.711 1.00 42.02 H new ATOM 0 HG LEU C 262 3.499 3.475 5.619 1.00 2.32 H new ATOM 0 HD11 LEU C 262 2.762 1.358 6.646 1.00 75.35 H new ATOM 0 HD12 LEU C 262 2.989 2.643 7.856 1.00 75.35 H new ATOM 0 HD13 LEU C 262 1.349 2.194 7.332 1.00 75.35 H new ATOM 0 HD21 LEU C 262 2.095 1.899 4.360 1.00 3.22 H new ATOM 0 HD22 LEU C 262 0.640 2.752 4.928 1.00 3.22 H new ATOM 0 HD23 LEU C 262 1.807 3.587 3.876 1.00 3.22 H new ATOM 2751 N GLU C 263 2.334 7.706 6.820 1.00 23.13 N ATOM 2752 CA GLU C 263 2.060 8.910 7.554 1.00 63.50 C ATOM 2753 C GLU C 263 1.882 10.122 6.581 1.00 4.12 C ATOM 2754 O GLU C 263 1.074 11.016 6.838 1.00 2.13 O ATOM 2755 CB GLU C 263 3.241 9.082 8.523 1.00 2.31 C ATOM 2756 CG GLU C 263 3.064 9.958 9.746 1.00 14.41 C ATOM 2757 CD GLU C 263 3.075 11.449 9.488 1.00 22.02 C ATOM 2758 OE1 GLU C 263 4.183 12.035 9.348 1.00 45.31 O ATOM 2759 OE2 GLU C 263 1.992 12.074 9.450 1.00 63.54 O ATOM 0 H GLU C 263 3.272 7.340 6.985 1.00 23.13 H new ATOM 0 HA GLU C 263 1.124 8.856 8.110 1.00 63.50 H new ATOM 0 HB2 GLU C 263 3.531 8.090 8.868 1.00 2.31 H new ATOM 0 HB3 GLU C 263 4.080 9.479 7.952 1.00 2.31 H new ATOM 0 HG2 GLU C 263 2.120 9.697 10.225 1.00 14.41 H new ATOM 0 HG3 GLU C 263 3.857 9.724 10.456 1.00 14.41 H new ATOM 2766 N LYS C 264 2.610 10.130 5.442 1.00 52.41 N ATOM 2767 CA LYS C 264 2.501 11.251 4.503 1.00 21.42 C ATOM 2768 C LYS C 264 1.220 11.109 3.700 1.00 15.31 C ATOM 2769 O LYS C 264 0.444 12.047 3.589 1.00 63.23 O ATOM 2770 CB LYS C 264 3.640 11.264 3.454 1.00 12.34 C ATOM 2771 CG LYS C 264 5.110 11.092 3.895 1.00 62.30 C ATOM 2772 CD LYS C 264 5.678 12.113 4.906 1.00 40.11 C ATOM 2773 CE LYS C 264 5.136 11.900 6.318 1.00 75.20 C ATOM 2774 NZ LYS C 264 5.856 12.694 7.335 1.00 42.40 N ATOM 0 H LYS C 264 3.258 9.394 5.163 1.00 52.41 H new ATOM 0 HA LYS C 264 2.537 12.158 5.107 1.00 21.42 H new ATOM 0 HB2 LYS C 264 3.425 10.474 2.735 1.00 12.34 H new ATOM 0 HB3 LYS C 264 3.573 12.210 2.917 1.00 12.34 H new ATOM 0 HG2 LYS C 264 5.217 10.097 4.327 1.00 62.30 H new ATOM 0 HG3 LYS C 264 5.734 11.121 3.002 1.00 62.30 H new ATOM 0 HD2 LYS C 264 6.765 12.037 4.922 1.00 40.11 H new ATOM 0 HD3 LYS C 264 5.434 13.122 4.575 1.00 40.11 H new ATOM 0 HE2 LYS C 264 4.079 12.164 6.340 1.00 75.20 H new ATOM 0 HE3 LYS C 264 5.206 10.843 6.573 1.00 75.20 H new ATOM 0 HZ1 LYS C 264 5.527 12.423 8.284 1.00 42.40 H new ATOM 0 HZ2 LYS C 264 6.877 12.513 7.257 1.00 42.40 H new ATOM 0 HZ3 LYS C 264 5.671 13.706 7.181 1.00 42.40 H new ATOM 2788 N CYS C 265 0.984 9.904 3.196 1.00 33.11 N ATOM 2789 CA CYS C 265 -0.196 9.618 2.354 1.00 41.33 C ATOM 2790 C CYS C 265 -1.504 9.800 3.101 1.00 54.43 C ATOM 2791 O CYS C 265 -2.532 10.117 2.499 1.00 32.33 O ATOM 2792 CB CYS C 265 -0.126 8.215 1.722 1.00 52.25 C ATOM 2793 SG CYS C 265 1.214 7.985 0.503 1.00 52.15 S ATOM 0 H CYS C 265 1.591 9.099 3.350 1.00 33.11 H new ATOM 0 HA CYS C 265 -0.174 10.354 1.550 1.00 41.33 H new ATOM 0 HB2 CYS C 265 -0.003 7.480 2.518 1.00 52.25 H new ATOM 0 HB3 CYS C 265 -1.079 8.003 1.237 1.00 52.25 H new ATOM 2798 N LEU C 266 -1.449 9.619 4.404 1.00 45.12 N ATOM 2799 CA LEU C 266 -2.585 9.745 5.267 1.00 13.14 C ATOM 2800 C LEU C 266 -3.094 11.206 5.248 1.00 61.32 C ATOM 2801 O LEU C 266 -4.300 11.453 5.264 1.00 20.44 O ATOM 2802 CB LEU C 266 -2.115 9.312 6.692 1.00 41.41 C ATOM 2803 CG LEU C 266 -3.132 9.086 7.851 1.00 23.41 C ATOM 2804 CD1 LEU C 266 -2.377 8.634 9.064 1.00 45.54 C ATOM 2805 CD2 LEU C 266 -3.934 10.327 8.179 1.00 42.41 C ATOM 0 H LEU C 266 -0.589 9.375 4.895 1.00 45.12 H new ATOM 0 HA LEU C 266 -3.415 9.117 4.944 1.00 13.14 H new ATOM 0 HB2 LEU C 266 -1.558 8.382 6.573 1.00 41.41 H new ATOM 0 HB3 LEU C 266 -1.407 10.066 7.035 1.00 41.41 H new ATOM 0 HG LEU C 266 -3.847 8.329 7.529 1.00 23.41 H new ATOM 0 HD11 LEU C 266 -3.074 8.471 9.886 1.00 45.54 H new ATOM 0 HD12 LEU C 266 -1.854 7.704 8.841 1.00 45.54 H new ATOM 0 HD13 LEU C 266 -1.653 9.398 9.348 1.00 45.54 H new ATOM 0 HD21 LEU C 266 -4.625 10.109 8.993 1.00 42.41 H new ATOM 0 HD22 LEU C 266 -3.259 11.127 8.481 1.00 42.41 H new ATOM 0 HD23 LEU C 266 -4.497 10.640 7.299 1.00 42.41 H new ATOM 2817 N ASN C 267 -2.190 12.172 5.160 1.00 72.10 N ATOM 2818 CA ASN C 267 -2.617 13.555 5.315 1.00 50.21 C ATOM 2819 C ASN C 267 -2.108 14.473 4.214 1.00 44.02 C ATOM 2820 O ASN C 267 -2.903 15.064 3.486 1.00 0.42 O ATOM 2821 CB ASN C 267 -2.210 14.061 6.717 1.00 61.33 C ATOM 2822 CG ASN C 267 -2.833 15.396 7.176 1.00 52.44 C ATOM 2823 OD1 ASN C 267 -3.120 16.309 6.286 1.00 24.11 O flip ATOM 2824 ND2 ASN C 267 -3.047 15.582 8.373 1.00 54.41 N flip ATOM 0 H ASN C 267 -1.194 12.034 4.989 1.00 72.10 H new ATOM 0 HA ASN C 267 -3.703 13.578 5.221 1.00 50.21 H new ATOM 0 HB2 ASN C 267 -2.472 13.294 7.446 1.00 61.33 H new ATOM 0 HB3 ASN C 267 -1.125 14.165 6.740 1.00 61.33 H new ATOM 0 HD21 ASN C 267 -2.816 14.856 9.051 1.00 54.41 H new ATOM 0 HD22 ASN C 267 -3.456 16.462 8.687 1.00 54.41 H new ATOM 3120 N GLY D 319 13.957 -12.504 3.170 1.00 54.03 N ATOM 3121 CA GLY D 319 14.380 -12.208 4.511 1.00 3.54 C ATOM 3122 C GLY D 319 15.809 -11.811 4.450 1.00 12.43 C ATOM 3123 O GLY D 319 16.670 -12.349 5.166 1.00 12.11 O ATOM 0 HA2 GLY D 319 13.777 -11.405 4.935 1.00 3.54 H new ATOM 0 HA3 GLY D 319 14.251 -13.078 5.155 1.00 3.54 H new ATOM 3127 N ASP D 320 16.045 -10.868 3.599 1.00 2.12 N ATOM 3128 CA ASP D 320 17.351 -10.419 3.225 1.00 1.11 C ATOM 3129 C ASP D 320 17.430 -8.919 3.460 1.00 41.31 C ATOM 3130 O ASP D 320 16.420 -8.309 3.839 1.00 33.43 O ATOM 3131 CB ASP D 320 17.505 -10.775 1.759 1.00 51.43 C ATOM 3132 CG ASP D 320 18.834 -10.429 1.140 1.00 34.14 C ATOM 3133 OD1 ASP D 320 19.844 -11.076 1.470 1.00 61.43 O ATOM 3134 OD2 ASP D 320 18.882 -9.538 0.287 1.00 74.31 O ATOM 0 H ASP D 320 15.298 -10.364 3.121 1.00 2.12 H new ATOM 0 HA ASP D 320 18.150 -10.880 3.805 1.00 1.11 H new ATOM 0 HB2 ASP D 320 17.339 -11.846 1.645 1.00 51.43 H new ATOM 0 HB3 ASP D 320 16.720 -10.269 1.197 1.00 51.43 H new ATOM 3163 N ASP D 322 18.953 -7.588 5.850 1.00 33.51 N ATOM 3164 CA ASP D 322 18.675 -7.661 7.290 1.00 11.11 C ATOM 3165 C ASP D 322 17.317 -8.177 7.564 1.00 30.02 C ATOM 3166 O ASP D 322 17.172 -9.174 8.263 1.00 23.12 O ATOM 3167 CB ASP D 322 18.937 -6.391 8.072 1.00 74.02 C ATOM 3168 CG ASP D 322 20.392 -6.137 8.342 1.00 14.10 C ATOM 3169 OD1 ASP D 322 20.909 -6.668 9.345 1.00 41.10 O ATOM 3170 OD2 ASP D 322 21.046 -5.405 7.559 1.00 4.14 O ATOM 0 HA ASP D 322 19.411 -8.375 7.659 1.00 11.11 H new ATOM 0 HB2 ASP D 322 18.526 -5.545 7.522 1.00 74.02 H new ATOM 0 HB3 ASP D 322 18.404 -6.443 9.021 1.00 74.02 H new ATOM 3175 N SER D 323 16.316 -7.488 7.045 1.00 71.23 N ATOM 3176 CA SER D 323 14.951 -7.928 7.117 1.00 53.04 C ATOM 3177 C SER D 323 14.319 -7.760 8.536 1.00 63.02 C ATOM 3178 O SER D 323 13.357 -8.435 8.884 1.00 13.24 O ATOM 3179 CB SER D 323 14.857 -9.370 6.511 1.00 55.33 C ATOM 3180 OG SER D 323 13.597 -9.988 6.684 1.00 25.25 O ATOM 0 H SER D 323 16.439 -6.600 6.559 1.00 71.23 H new ATOM 0 HA SER D 323 14.324 -7.275 6.509 1.00 53.04 H new ATOM 0 HB2 SER D 323 15.082 -9.320 5.446 1.00 55.33 H new ATOM 0 HB3 SER D 323 15.623 -9.996 6.970 1.00 55.33 H new ATOM 0 HG SER D 323 12.916 -9.302 6.846 1.00 25.25 H new ATOM 3186 N MET D 324 14.826 -6.806 9.319 1.00 12.32 N ATOM 3187 CA MET D 324 14.238 -6.521 10.641 1.00 31.23 C ATOM 3188 C MET D 324 14.540 -5.089 11.103 1.00 41.55 C ATOM 3189 O MET D 324 15.700 -4.665 11.120 1.00 54.32 O ATOM 3190 CB MET D 324 14.700 -7.538 11.698 1.00 22.43 C ATOM 3191 CG MET D 324 14.089 -7.319 13.078 1.00 32.50 C ATOM 3192 SD MET D 324 14.582 -8.575 14.292 1.00 4.42 S ATOM 3193 CE MET D 324 13.918 -10.069 13.539 1.00 33.05 C ATOM 0 H MET D 324 15.627 -6.224 9.073 1.00 12.32 H new ATOM 0 HA MET D 324 13.158 -6.616 10.530 1.00 31.23 H new ATOM 0 HB2 MET D 324 14.449 -8.542 11.356 1.00 22.43 H new ATOM 0 HB3 MET D 324 15.786 -7.492 11.781 1.00 22.43 H new ATOM 0 HG2 MET D 324 14.382 -6.335 13.445 1.00 32.50 H new ATOM 0 HG3 MET D 324 13.003 -7.316 12.990 1.00 32.50 H new ATOM 0 HE1 MET D 324 13.836 -10.851 14.294 1.00 33.05 H new ATOM 0 HE2 MET D 324 12.932 -9.860 13.124 1.00 33.05 H new ATOM 0 HE3 MET D 324 14.584 -10.402 12.743 1.00 33.05 H new ATOM 3203 N LYS D 325 13.492 -4.356 11.447 1.00 50.11 N ATOM 3204 CA LYS D 325 13.573 -2.971 11.946 1.00 74.32 C ATOM 3205 C LYS D 325 12.574 -2.762 13.080 1.00 22.30 C ATOM 3206 O LYS D 325 11.946 -3.713 13.531 1.00 13.00 O ATOM 3207 CB LYS D 325 13.241 -1.989 10.821 1.00 61.41 C ATOM 3208 CG LYS D 325 14.304 -1.797 9.784 1.00 3.42 C ATOM 3209 CD LYS D 325 15.440 -0.940 10.297 1.00 5.20 C ATOM 3210 CE LYS D 325 16.374 -0.575 9.176 1.00 14.31 C ATOM 3211 NZ LYS D 325 17.470 0.316 9.620 1.00 22.14 N ATOM 0 H LYS D 325 12.535 -4.706 11.390 1.00 50.11 H new ATOM 0 HA LYS D 325 14.586 -2.796 12.307 1.00 74.32 H new ATOM 0 HB2 LYS D 325 12.333 -2.330 10.324 1.00 61.41 H new ATOM 0 HB3 LYS D 325 13.016 -1.020 11.266 1.00 61.41 H new ATOM 0 HG2 LYS D 325 14.691 -2.768 9.476 1.00 3.42 H new ATOM 0 HG3 LYS D 325 13.869 -1.332 8.899 1.00 3.42 H new ATOM 0 HD2 LYS D 325 15.042 -0.035 10.755 1.00 5.20 H new ATOM 0 HD3 LYS D 325 15.986 -1.477 11.073 1.00 5.20 H new ATOM 0 HE2 LYS D 325 16.799 -1.484 8.750 1.00 14.31 H new ATOM 0 HE3 LYS D 325 15.810 -0.085 8.382 1.00 14.31 H new ATOM 0 HZ1 LYS D 325 18.086 0.538 8.812 1.00 22.14 H new ATOM 0 HZ2 LYS D 325 17.069 1.196 10.002 1.00 22.14 H new ATOM 0 HZ3 LYS D 325 18.027 -0.160 10.359 1.00 22.14 H new ATOM 3225 N GLU D 326 12.457 -1.525 13.533 1.00 42.24 N ATOM 3226 CA GLU D 326 11.484 -1.115 14.542 1.00 30.14 C ATOM 3227 C GLU D 326 11.129 0.360 14.305 1.00 35.22 C ATOM 3228 O GLU D 326 11.963 1.113 13.806 1.00 13.53 O ATOM 3229 CB GLU D 326 12.034 -1.324 15.964 1.00 61.50 C ATOM 3230 CG GLU D 326 13.332 -0.596 16.254 1.00 51.35 C ATOM 3231 CD GLU D 326 13.771 -0.764 17.675 1.00 35.20 C ATOM 3232 OE1 GLU D 326 14.333 -1.819 18.014 1.00 45.53 O ATOM 3233 OE2 GLU D 326 13.547 0.159 18.493 1.00 41.21 O ATOM 0 H GLU D 326 13.046 -0.759 13.205 1.00 42.24 H new ATOM 0 HA GLU D 326 10.588 -1.730 14.453 1.00 30.14 H new ATOM 0 HB2 GLU D 326 11.282 -0.997 16.682 1.00 61.50 H new ATOM 0 HB3 GLU D 326 12.187 -2.391 16.127 1.00 61.50 H new ATOM 0 HG2 GLU D 326 14.111 -0.968 15.589 1.00 51.35 H new ATOM 0 HG3 GLU D 326 13.207 0.465 16.037 1.00 51.35 H new ATOM 3240 N PRO D 327 9.893 0.802 14.633 1.00 61.41 N ATOM 3241 CA PRO D 327 9.474 2.173 14.405 1.00 14.11 C ATOM 3242 C PRO D 327 10.174 3.168 15.313 1.00 32.54 C ATOM 3243 O PRO D 327 10.020 3.149 16.544 1.00 32.14 O ATOM 3244 CB PRO D 327 7.986 2.143 14.733 1.00 32.45 C ATOM 3245 CG PRO D 327 7.876 1.069 15.724 1.00 73.15 C ATOM 3246 CD PRO D 327 8.799 0.015 15.232 1.00 22.30 C ATOM 0 HA PRO D 327 9.711 2.496 13.391 1.00 14.11 H new ATOM 0 HB2 PRO D 327 7.644 3.097 15.135 1.00 32.45 H new ATOM 0 HB3 PRO D 327 7.384 1.936 13.848 1.00 32.45 H new ATOM 0 HG2 PRO D 327 8.161 1.415 16.718 1.00 73.15 H new ATOM 0 HG3 PRO D 327 6.853 0.699 15.797 1.00 73.15 H new ATOM 0 HD2 PRO D 327 9.154 -0.623 16.041 1.00 22.30 H new ATOM 0 HD3 PRO D 327 8.319 -0.635 14.500 1.00 22.30 H new