USER MOD reduce.3.24.130724 H: found=0, std=0, add=1059, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 1067 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 67 ASN : amide:sc= 0.644 K(o=1.4,f=-6.8!) USER MOD Set 1.2: C 254 LYS NZ :NH3+ 175:sc= 0.775 (180deg=-0.059) USER MOD Set 2.1: A 64 LYS NZ :NH3+ 170:sc= 2.09 (180deg=0.905) USER MOD Set 2.2: C 230 ASN : amide:sc= -1.7! C(o=0.4!,f=-11!) USER MOD Set 3.1: A 30 ASN : amide:sc= 0.973 K(o=2.2,f=-12!) USER MOD Set 3.2: C 264 LYS NZ :NH3+ -172:sc= 1.21 (180deg=-0.298) USER MOD Single : A 16 SER OG : rot -170:sc= 0 USER MOD Single : A 17 HIS : no HE2:sc= 0.99 K(o=0.99,f=-6.4!) USER MOD Single : A 22 ASN : amide:sc= -1.39 X(o=-1.4,f=-1.3) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 HIS : no HD1:sc= -0.879 X(o=-0.88,f=-1) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 7:sc= 0.456 USER MOD Single : A 33 ASN : amide:sc= 0.0296 X(o=0.03,f=-0.31) USER MOD Single : A 37 GLN : amide:sc= -5.56! C(o=-5.6!,f=-5.5!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= 0.59 K(o=0.59,f=-8.8!) USER MOD Single : A 54 LYS NZ :NH3+ 177:sc= -0.658 (180deg=-0.764) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= -2.62! X(o=-2.6!,f=-2.2) USER MOD Single : A 61 TYR OH : rot -140:sc= -2.1! USER MOD Single : B 123 SER OG : rot 27:sc= 1.22 USER MOD Single : B 124 MET CE :methyl 159:sc= -0.125 (180deg=-0.73) USER MOD Single : B 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 216 SER OG : rot -170:sc= 0 USER MOD Single : C 217 HIS : no HD1:sc= -0.222 X(o=-0.22,f=-0.02) USER MOD Single : C 222 ASN : amide:sc= -1.44 X(o=-1.4,f=-1.3) USER MOD Single : C 224 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 225 HIS :FLIP no HD1:sc= -0.0994 F(o=-1.4,f=-0.099) USER MOD Single : C 227 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 231 THR OG1 : rot -164:sc= -0.171 USER MOD Single : C 233 ASN : amide:sc= 0 K(o=0,f=-0.5) USER MOD Single : C 237 GLN :FLIP amide:sc= -1.72! C(o=-3.3!,f=-1.7!) USER MOD Single : C 243 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 248 GLN : amide:sc= -0.689! C(o=-0.69!,f=-3.4!) USER MOD Single : C 256 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 259 GLN : amide:sc= -1.85! X(o=-1.8!,f=-1.8) USER MOD Single : C 261 TYR OH : rot -50:sc= -0.438 USER MOD Single : C 267 ASN : amide:sc= -0.0238 X(o=-0.024,f=0) USER MOD Single : D 323 SER OG : rot 33:sc= 1.26 USER MOD Single : D 324 MET CE :methyl 162:sc= -0.119 (180deg=-0.537) USER MOD Single : D 325 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 115 N ARG A 8 2.852 9.552 -14.869 1.00 63.15 N ATOM 116 CA ARG A 8 1.476 9.255 -15.180 1.00 11.04 C ATOM 117 C ARG A 8 0.753 8.789 -13.922 1.00 63.52 C ATOM 118 O ARG A 8 1.319 8.057 -13.110 1.00 24.42 O ATOM 119 CB ARG A 8 1.408 8.180 -16.273 1.00 41.21 C ATOM 120 CG ARG A 8 0.019 7.925 -16.833 1.00 4.23 C ATOM 121 CD ARG A 8 -0.539 9.185 -17.485 1.00 0.23 C ATOM 122 NE ARG A 8 -1.841 8.962 -18.111 1.00 0.14 N ATOM 123 CZ ARG A 8 -2.577 9.909 -18.708 1.00 64.22 C ATOM 124 NH1 ARG A 8 -2.206 11.187 -18.651 1.00 53.13 N ATOM 125 NH2 ARG A 8 -3.695 9.575 -19.338 1.00 1.42 N ATOM 0 HA ARG A 8 0.986 10.155 -15.550 1.00 11.04 H new ATOM 0 HB2 ARG A 8 2.066 8.472 -17.091 1.00 41.21 H new ATOM 0 HB3 ARG A 8 1.798 7.246 -15.869 1.00 41.21 H new ATOM 0 HG2 ARG A 8 0.059 7.118 -17.565 1.00 4.23 H new ATOM 0 HG3 ARG A 8 -0.646 7.598 -16.034 1.00 4.23 H new ATOM 0 HD2 ARG A 8 -0.630 9.969 -16.733 1.00 0.23 H new ATOM 0 HD3 ARG A 8 0.165 9.544 -18.236 1.00 0.23 H new ATOM 0 HE ARG A 8 -2.217 8.014 -18.092 1.00 0.14 H new ATOM 0 HH11 ARG A 8 -1.357 11.450 -18.151 1.00 53.13 H new ATOM 0 HH12 ARG A 8 -2.771 11.903 -19.108 1.00 53.13 H new ATOM 0 HH21 ARG A 8 -3.992 8.600 -19.367 1.00 1.42 H new ATOM 0 HH22 ARG A 8 -4.258 10.293 -19.794 1.00 1.42 H new ATOM 139 N CYS A 9 -0.472 9.226 -13.747 1.00 13.43 N ATOM 140 CA CYS A 9 -1.238 8.827 -12.599 1.00 2.13 C ATOM 141 C CYS A 9 -2.166 7.669 -12.976 1.00 11.31 C ATOM 142 O CYS A 9 -2.800 7.691 -14.040 1.00 63.45 O ATOM 143 CB CYS A 9 -1.999 10.025 -12.001 1.00 23.22 C ATOM 144 SG CYS A 9 -0.895 11.404 -11.523 1.00 2.30 S ATOM 0 H CYS A 9 -0.956 9.857 -14.386 1.00 13.43 H new ATOM 0 HA CYS A 9 -0.565 8.472 -11.819 1.00 2.13 H new ATOM 0 HB2 CYS A 9 -2.728 10.385 -12.727 1.00 23.22 H new ATOM 0 HB3 CYS A 9 -2.558 9.694 -11.126 1.00 23.22 H new ATOM 149 N PRO A 10 -2.220 6.612 -12.126 1.00 43.10 N ATOM 150 CA PRO A 10 -2.990 5.397 -12.400 1.00 1.54 C ATOM 151 C PRO A 10 -4.477 5.636 -12.655 1.00 2.31 C ATOM 152 O PRO A 10 -5.000 5.286 -13.718 1.00 21.44 O ATOM 153 CB PRO A 10 -2.803 4.551 -11.128 1.00 72.42 C ATOM 154 CG PRO A 10 -1.568 5.070 -10.504 1.00 65.23 C ATOM 155 CD PRO A 10 -1.509 6.523 -10.839 1.00 22.13 C ATOM 0 HA PRO A 10 -2.637 4.924 -13.317 1.00 1.54 H new ATOM 0 HB2 PRO A 10 -3.657 4.652 -10.458 1.00 72.42 H new ATOM 0 HB3 PRO A 10 -2.709 3.492 -11.368 1.00 72.42 H new ATOM 0 HG2 PRO A 10 -1.585 4.920 -9.424 1.00 65.23 H new ATOM 0 HG3 PRO A 10 -0.691 4.547 -10.885 1.00 65.23 H new ATOM 0 HD2 PRO A 10 -1.990 7.131 -10.073 1.00 22.13 H new ATOM 0 HD3 PRO A 10 -0.480 6.873 -10.924 1.00 22.13 H new ATOM 163 N CYS A 11 -5.143 6.216 -11.703 1.00 45.34 N ATOM 164 CA CYS A 11 -6.564 6.412 -11.796 1.00 22.35 C ATOM 165 C CYS A 11 -6.879 7.825 -12.248 1.00 2.32 C ATOM 166 O CYS A 11 -6.013 8.719 -12.202 1.00 53.42 O ATOM 167 CB CYS A 11 -7.186 6.140 -10.436 1.00 65.24 C ATOM 168 SG CYS A 11 -6.629 4.572 -9.712 1.00 63.22 S ATOM 0 H CYS A 11 -4.722 6.566 -10.842 1.00 45.34 H new ATOM 0 HA CYS A 11 -6.978 5.725 -12.534 1.00 22.35 H new ATOM 0 HB2 CYS A 11 -6.938 6.957 -9.758 1.00 65.24 H new ATOM 0 HB3 CYS A 11 -8.271 6.125 -10.534 1.00 65.24 H new ATOM 173 N ARG A 12 -8.083 8.029 -12.706 1.00 53.20 N ATOM 174 CA ARG A 12 -8.539 9.336 -13.089 1.00 41.43 C ATOM 175 C ARG A 12 -9.355 9.851 -11.900 1.00 44.13 C ATOM 176 O ARG A 12 -9.240 10.991 -11.506 1.00 41.23 O ATOM 177 CB ARG A 12 -9.402 9.217 -14.367 1.00 73.22 C ATOM 178 CG ARG A 12 -9.448 10.446 -15.334 1.00 10.25 C ATOM 179 CD ARG A 12 -10.140 11.719 -14.811 1.00 32.03 C ATOM 180 NE ARG A 12 -9.440 12.392 -13.710 1.00 22.02 N ATOM 181 CZ ARG A 12 -9.226 13.710 -13.620 1.00 23.22 C ATOM 182 NH1 ARG A 12 -9.560 14.517 -14.622 1.00 43.53 N ATOM 183 NH2 ARG A 12 -8.660 14.216 -12.524 1.00 73.13 N ATOM 0 H ARG A 12 -8.777 7.291 -12.824 1.00 53.20 H new ATOM 0 HA ARG A 12 -7.723 10.022 -13.318 1.00 41.43 H new ATOM 0 HB2 ARG A 12 -9.044 8.358 -14.934 1.00 73.22 H new ATOM 0 HB3 ARG A 12 -10.424 8.993 -14.061 1.00 73.22 H new ATOM 0 HG2 ARG A 12 -8.424 10.703 -15.604 1.00 10.25 H new ATOM 0 HG3 ARG A 12 -9.952 10.138 -16.250 1.00 10.25 H new ATOM 0 HD2 ARG A 12 -10.249 12.422 -15.637 1.00 32.03 H new ATOM 0 HD3 ARG A 12 -11.145 11.459 -14.479 1.00 32.03 H new ATOM 0 HE ARG A 12 -9.088 11.807 -12.952 1.00 22.02 H new ATOM 0 HH11 ARG A 12 -9.983 14.133 -15.467 1.00 43.53 H new ATOM 0 HH12 ARG A 12 -9.394 15.520 -14.546 1.00 43.53 H new ATOM 0 HH21 ARG A 12 -8.392 13.599 -11.757 1.00 73.13 H new ATOM 0 HH22 ARG A 12 -8.495 15.220 -12.452 1.00 73.13 H new ATOM 197 N PHE A 13 -10.145 8.969 -11.322 1.00 75.34 N ATOM 198 CA PHE A 13 -10.931 9.273 -10.138 1.00 1.41 C ATOM 199 C PHE A 13 -10.781 8.122 -9.164 1.00 45.31 C ATOM 200 O PHE A 13 -10.341 7.051 -9.557 1.00 0.51 O ATOM 201 CB PHE A 13 -12.420 9.504 -10.468 1.00 31.32 C ATOM 202 CG PHE A 13 -12.702 10.679 -11.365 1.00 32.43 C ATOM 203 CD1 PHE A 13 -12.648 11.972 -10.870 1.00 25.41 C ATOM 204 CD2 PHE A 13 -13.042 10.491 -12.692 1.00 1.33 C ATOM 205 CE1 PHE A 13 -12.923 13.052 -11.681 1.00 21.22 C ATOM 206 CE2 PHE A 13 -13.315 11.569 -13.511 1.00 71.05 C ATOM 207 CZ PHE A 13 -13.255 12.852 -13.003 1.00 73.50 C ATOM 0 H PHE A 13 -10.262 8.014 -11.661 1.00 75.34 H new ATOM 0 HA PHE A 13 -10.562 10.201 -9.701 1.00 1.41 H new ATOM 0 HB2 PHE A 13 -12.815 8.604 -10.939 1.00 31.32 H new ATOM 0 HB3 PHE A 13 -12.966 9.641 -9.534 1.00 31.32 H new ATOM 0 HD1 PHE A 13 -12.387 12.136 -9.835 1.00 25.41 H new ATOM 0 HD2 PHE A 13 -13.095 9.489 -13.093 1.00 1.33 H new ATOM 0 HE1 PHE A 13 -12.878 14.054 -11.281 1.00 21.22 H new ATOM 0 HE2 PHE A 13 -13.575 11.409 -14.547 1.00 71.05 H new ATOM 0 HZ PHE A 13 -13.468 13.697 -13.641 1.00 73.50 H new ATOM 217 N PHE A 14 -11.083 8.350 -7.911 1.00 15.14 N ATOM 218 CA PHE A 14 -10.962 7.310 -6.898 1.00 44.12 C ATOM 219 C PHE A 14 -12.160 7.237 -5.938 1.00 52.24 C ATOM 220 O PHE A 14 -12.720 8.262 -5.559 1.00 2.10 O ATOM 221 CB PHE A 14 -9.612 7.416 -6.157 1.00 12.21 C ATOM 222 CG PHE A 14 -9.234 8.809 -5.722 1.00 60.13 C ATOM 223 CD1 PHE A 14 -9.754 9.365 -4.575 1.00 62.03 C ATOM 224 CD2 PHE A 14 -8.345 9.558 -6.482 1.00 74.21 C ATOM 225 CE1 PHE A 14 -9.399 10.644 -4.189 1.00 63.54 C ATOM 226 CE2 PHE A 14 -7.988 10.833 -6.100 1.00 15.23 C ATOM 227 CZ PHE A 14 -8.514 11.375 -4.952 1.00 31.45 C ATOM 0 H PHE A 14 -11.416 9.247 -7.558 1.00 15.14 H new ATOM 0 HA PHE A 14 -10.978 6.358 -7.428 1.00 44.12 H new ATOM 0 HB2 PHE A 14 -9.646 6.773 -5.277 1.00 12.21 H new ATOM 0 HB3 PHE A 14 -8.827 7.028 -6.806 1.00 12.21 H new ATOM 0 HD1 PHE A 14 -10.446 8.797 -3.971 1.00 62.03 H new ATOM 0 HD2 PHE A 14 -7.928 9.136 -7.384 1.00 74.21 H new ATOM 0 HE1 PHE A 14 -9.816 11.071 -3.289 1.00 63.54 H new ATOM 0 HE2 PHE A 14 -7.297 11.405 -6.701 1.00 15.23 H new ATOM 0 HZ PHE A 14 -8.234 12.373 -4.648 1.00 31.45 H new ATOM 237 N GLU A 15 -12.538 6.017 -5.574 1.00 53.24 N ATOM 238 CA GLU A 15 -13.619 5.714 -4.627 1.00 44.14 C ATOM 239 C GLU A 15 -13.334 6.238 -3.237 1.00 71.45 C ATOM 240 O GLU A 15 -12.174 6.397 -2.824 1.00 52.22 O ATOM 241 CB GLU A 15 -13.824 4.192 -4.487 1.00 31.53 C ATOM 242 CG GLU A 15 -14.622 3.483 -5.566 1.00 51.42 C ATOM 243 CD GLU A 15 -14.126 3.647 -6.985 1.00 32.50 C ATOM 244 OE1 GLU A 15 -12.905 3.678 -7.219 1.00 14.44 O ATOM 245 OE2 GLU A 15 -14.973 3.744 -7.885 1.00 22.25 O ATOM 0 H GLU A 15 -12.088 5.178 -5.940 1.00 53.24 H new ATOM 0 HA GLU A 15 -14.505 6.200 -5.036 1.00 44.14 H new ATOM 0 HB2 GLU A 15 -12.840 3.725 -4.436 1.00 31.53 H new ATOM 0 HB3 GLU A 15 -14.314 4.007 -3.531 1.00 31.53 H new ATOM 0 HG2 GLU A 15 -14.643 2.419 -5.332 1.00 51.42 H new ATOM 0 HG3 GLU A 15 -15.651 3.840 -5.520 1.00 51.42 H new ATOM 252 N SER A 16 -14.397 6.506 -2.506 1.00 40.02 N ATOM 253 CA SER A 16 -14.263 6.924 -1.141 1.00 62.25 C ATOM 254 C SER A 16 -15.244 6.173 -0.230 1.00 74.15 C ATOM 255 O SER A 16 -15.191 6.306 0.974 1.00 31.44 O ATOM 256 CB SER A 16 -14.487 8.410 -1.023 1.00 30.14 C ATOM 257 OG SER A 16 -13.682 9.115 -1.950 1.00 23.20 O ATOM 0 H SER A 16 -15.358 6.440 -2.841 1.00 40.02 H new ATOM 0 HA SER A 16 -13.249 6.688 -0.818 1.00 62.25 H new ATOM 0 HB2 SER A 16 -15.538 8.639 -1.199 1.00 30.14 H new ATOM 0 HB3 SER A 16 -14.255 8.738 -0.010 1.00 30.14 H new ATOM 0 HG SER A 16 -13.721 10.074 -1.754 1.00 23.20 H new ATOM 263 N HIS A 17 -16.146 5.393 -0.813 1.00 52.32 N ATOM 264 CA HIS A 17 -17.122 4.629 -0.021 1.00 54.22 C ATOM 265 C HIS A 17 -17.168 3.181 -0.411 1.00 11.44 C ATOM 266 O HIS A 17 -18.191 2.509 -0.245 1.00 54.11 O ATOM 267 CB HIS A 17 -18.525 5.255 -0.043 1.00 12.34 C ATOM 268 CG HIS A 17 -18.641 6.471 0.815 1.00 51.54 C ATOM 269 ND1 HIS A 17 -19.510 7.488 0.571 1.00 35.43 N ATOM 270 CD2 HIS A 17 -18.019 6.787 1.969 1.00 44.32 C ATOM 271 CE1 HIS A 17 -19.425 8.372 1.532 1.00 45.42 C ATOM 272 NE2 HIS A 17 -18.528 7.966 2.393 1.00 34.32 N ATOM 0 H HIS A 17 -16.228 5.268 -1.822 1.00 52.32 H new ATOM 0 HA HIS A 17 -16.767 4.678 1.008 1.00 54.22 H new ATOM 0 HB2 HIS A 17 -18.783 5.517 -1.069 1.00 12.34 H new ATOM 0 HB3 HIS A 17 -19.252 4.514 0.289 1.00 12.34 H new ATOM 0 HD1 HIS A 17 -20.131 7.552 -0.235 1.00 35.43 H new ATOM 0 HD2 HIS A 17 -17.255 6.206 2.464 1.00 44.32 H new ATOM 0 HE1 HIS A 17 -19.999 9.284 1.602 1.00 45.42 H new ATOM 281 N VAL A 18 -16.061 2.689 -0.896 1.00 24.25 N ATOM 282 CA VAL A 18 -15.942 1.291 -1.190 1.00 32.32 C ATOM 283 C VAL A 18 -15.768 0.558 0.151 1.00 2.31 C ATOM 284 O VAL A 18 -15.289 1.157 1.128 1.00 3.11 O ATOM 285 CB VAL A 18 -14.745 1.008 -2.137 1.00 74.02 C ATOM 286 CG1 VAL A 18 -13.432 1.356 -1.490 1.00 75.44 C ATOM 287 CG2 VAL A 18 -14.757 -0.426 -2.649 1.00 32.34 C ATOM 0 H VAL A 18 -15.226 3.240 -1.096 1.00 24.25 H new ATOM 0 HA VAL A 18 -16.833 0.939 -1.709 1.00 32.32 H new ATOM 0 HB VAL A 18 -14.860 1.659 -3.004 1.00 74.02 H new ATOM 0 HG11 VAL A 18 -12.618 1.144 -2.183 1.00 75.44 H new ATOM 0 HG12 VAL A 18 -13.423 2.415 -1.232 1.00 75.44 H new ATOM 0 HG13 VAL A 18 -13.303 0.761 -0.586 1.00 75.44 H new ATOM 0 HG21 VAL A 18 -13.904 -0.584 -3.308 1.00 32.34 H new ATOM 0 HG22 VAL A 18 -14.696 -1.114 -1.806 1.00 32.34 H new ATOM 0 HG23 VAL A 18 -15.680 -0.608 -3.200 1.00 32.34 H new ATOM 297 N ALA A 19 -16.146 -0.687 0.208 1.00 2.14 N ATOM 298 CA ALA A 19 -16.129 -1.398 1.438 1.00 0.21 C ATOM 299 C ALA A 19 -14.813 -2.095 1.659 1.00 43.12 C ATOM 300 O ALA A 19 -14.353 -2.867 0.816 1.00 50.25 O ATOM 301 CB ALA A 19 -17.281 -2.390 1.502 1.00 53.33 C ATOM 0 H ALA A 19 -16.471 -1.227 -0.594 1.00 2.14 H new ATOM 0 HA ALA A 19 -16.253 -0.670 2.240 1.00 0.21 H new ATOM 0 HB1 ALA A 19 -17.249 -2.924 2.452 1.00 53.33 H new ATOM 0 HB2 ALA A 19 -18.227 -1.855 1.418 1.00 53.33 H new ATOM 0 HB3 ALA A 19 -17.193 -3.103 0.682 1.00 53.33 H new ATOM 307 N ARG A 20 -14.221 -1.820 2.801 1.00 41.04 N ATOM 308 CA ARG A 20 -12.973 -2.436 3.253 1.00 42.15 C ATOM 309 C ARG A 20 -13.159 -3.970 3.345 1.00 62.42 C ATOM 310 O ARG A 20 -12.208 -4.740 3.242 1.00 70.44 O ATOM 311 CB ARG A 20 -12.608 -1.784 4.628 1.00 33.52 C ATOM 312 CG ARG A 20 -11.281 -2.180 5.318 1.00 1.40 C ATOM 313 CD ARG A 20 -11.281 -3.592 5.843 1.00 64.25 C ATOM 314 NE ARG A 20 -12.424 -3.826 6.737 1.00 30.54 N ATOM 315 CZ ARG A 20 -13.067 -4.990 6.883 1.00 72.32 C ATOM 316 NH1 ARG A 20 -12.735 -6.031 6.148 1.00 73.43 N ATOM 317 NH2 ARG A 20 -14.081 -5.087 7.726 1.00 60.44 N ATOM 0 H ARG A 20 -14.598 -1.144 3.466 1.00 41.04 H new ATOM 0 HA ARG A 20 -12.153 -2.266 2.555 1.00 42.15 H new ATOM 0 HB2 ARG A 20 -12.595 -0.703 4.487 1.00 33.52 H new ATOM 0 HB3 ARG A 20 -13.419 -2.005 5.322 1.00 33.52 H new ATOM 0 HG2 ARG A 20 -10.462 -2.063 4.609 1.00 1.40 H new ATOM 0 HG3 ARG A 20 -11.089 -1.493 6.142 1.00 1.40 H new ATOM 0 HD2 ARG A 20 -11.319 -4.293 5.009 1.00 64.25 H new ATOM 0 HD3 ARG A 20 -10.351 -3.784 6.379 1.00 64.25 H new ATOM 0 HE ARG A 20 -12.754 -3.036 7.292 1.00 30.54 H new ATOM 0 HH11 ARG A 20 -11.984 -5.953 5.463 1.00 73.43 H new ATOM 0 HH12 ARG A 20 -13.229 -6.916 6.264 1.00 73.43 H new ATOM 0 HH21 ARG A 20 -14.374 -4.273 8.267 1.00 60.44 H new ATOM 0 HH22 ARG A 20 -14.570 -5.975 7.836 1.00 60.44 H new ATOM 331 N ALA A 21 -14.389 -4.391 3.523 1.00 72.32 N ATOM 332 CA ALA A 21 -14.718 -5.798 3.608 1.00 54.45 C ATOM 333 C ALA A 21 -14.851 -6.438 2.220 1.00 13.33 C ATOM 334 O ALA A 21 -14.904 -7.657 2.099 1.00 55.30 O ATOM 335 CB ALA A 21 -15.997 -5.988 4.408 1.00 44.52 C ATOM 0 H ALA A 21 -15.192 -3.769 3.613 1.00 72.32 H new ATOM 0 HA ALA A 21 -13.898 -6.301 4.120 1.00 54.45 H new ATOM 0 HB1 ALA A 21 -16.236 -7.050 4.466 1.00 44.52 H new ATOM 0 HB2 ALA A 21 -15.859 -5.592 5.414 1.00 44.52 H new ATOM 0 HB3 ALA A 21 -16.814 -5.459 3.918 1.00 44.52 H new ATOM 341 N ASN A 22 -14.894 -5.618 1.180 1.00 54.23 N ATOM 342 CA ASN A 22 -15.130 -6.124 -0.176 1.00 5.22 C ATOM 343 C ASN A 22 -13.830 -6.126 -0.998 1.00 64.21 C ATOM 344 O ASN A 22 -13.777 -6.652 -2.110 1.00 12.42 O ATOM 345 CB ASN A 22 -16.205 -5.270 -0.870 1.00 54.33 C ATOM 346 CG ASN A 22 -16.698 -5.856 -2.190 1.00 42.42 C ATOM 347 OD1 ASN A 22 -16.723 -7.078 -2.375 1.00 75.32 O ATOM 348 ND2 ASN A 22 -17.114 -5.005 -3.090 1.00 70.05 N ATOM 0 H ASN A 22 -14.770 -4.607 1.241 1.00 54.23 H new ATOM 0 HA ASN A 22 -15.482 -7.153 -0.106 1.00 5.22 H new ATOM 0 HB2 ASN A 22 -17.053 -5.152 -0.196 1.00 54.33 H new ATOM 0 HB3 ASN A 22 -15.802 -4.274 -1.053 1.00 54.33 H new ATOM 0 HD21 ASN A 22 -17.475 -5.342 -3.982 1.00 70.05 H new ATOM 0 HD22 ASN A 22 -17.077 -4.003 -2.900 1.00 70.05 H new ATOM 355 N VAL A 23 -12.800 -5.544 -0.445 1.00 13.31 N ATOM 356 CA VAL A 23 -11.498 -5.490 -1.097 1.00 30.21 C ATOM 357 C VAL A 23 -10.605 -6.639 -0.627 1.00 30.45 C ATOM 358 O VAL A 23 -10.800 -7.178 0.465 1.00 40.15 O ATOM 359 CB VAL A 23 -10.783 -4.149 -0.821 1.00 62.21 C ATOM 360 CG1 VAL A 23 -11.585 -2.991 -1.397 1.00 14.23 C ATOM 361 CG2 VAL A 23 -10.588 -3.959 0.673 1.00 24.44 C ATOM 0 H VAL A 23 -12.829 -5.091 0.469 1.00 13.31 H new ATOM 0 HA VAL A 23 -11.674 -5.582 -2.169 1.00 30.21 H new ATOM 0 HB VAL A 23 -9.806 -4.169 -1.305 1.00 62.21 H new ATOM 0 HG11 VAL A 23 -11.068 -2.053 -1.194 1.00 14.23 H new ATOM 0 HG12 VAL A 23 -11.690 -3.121 -2.474 1.00 14.23 H new ATOM 0 HG13 VAL A 23 -12.573 -2.968 -0.936 1.00 14.23 H new ATOM 0 HG21 VAL A 23 -10.083 -3.011 0.856 1.00 24.44 H new ATOM 0 HG22 VAL A 23 -11.559 -3.955 1.169 1.00 24.44 H new ATOM 0 HG23 VAL A 23 -9.982 -4.775 1.068 1.00 24.44 H new ATOM 371 N LYS A 24 -9.651 -7.029 -1.462 1.00 62.42 N ATOM 372 CA LYS A 24 -8.727 -8.100 -1.122 1.00 3.41 C ATOM 373 C LYS A 24 -7.313 -7.603 -0.899 1.00 53.31 C ATOM 374 O LYS A 24 -6.494 -8.320 -0.343 1.00 23.24 O ATOM 375 CB LYS A 24 -8.700 -9.149 -2.196 1.00 62.34 C ATOM 376 CG LYS A 24 -10.038 -9.711 -2.446 1.00 20.12 C ATOM 377 CD LYS A 24 -10.015 -10.863 -3.407 1.00 23.02 C ATOM 378 CE LYS A 24 -9.510 -10.470 -4.779 1.00 34.12 C ATOM 379 NZ LYS A 24 -9.523 -11.627 -5.689 1.00 11.52 N ATOM 0 H LYS A 24 -9.498 -6.617 -2.383 1.00 62.42 H new ATOM 0 HA LYS A 24 -9.095 -8.526 -0.188 1.00 3.41 H new ATOM 0 HB2 LYS A 24 -8.310 -8.716 -3.117 1.00 62.34 H new ATOM 0 HB3 LYS A 24 -8.018 -9.949 -1.906 1.00 62.34 H new ATOM 0 HG2 LYS A 24 -10.471 -10.040 -1.501 1.00 20.12 H new ATOM 0 HG3 LYS A 24 -10.688 -8.929 -2.839 1.00 20.12 H new ATOM 0 HD2 LYS A 24 -9.382 -11.654 -3.004 1.00 23.02 H new ATOM 0 HD3 LYS A 24 -11.020 -11.274 -3.499 1.00 23.02 H new ATOM 0 HE2 LYS A 24 -10.132 -9.673 -5.187 1.00 34.12 H new ATOM 0 HE3 LYS A 24 -8.497 -10.075 -4.700 1.00 34.12 H new ATOM 0 HZ1 LYS A 24 -9.173 -11.337 -6.624 1.00 11.52 H new ATOM 0 HZ2 LYS A 24 -8.910 -12.376 -5.307 1.00 11.52 H new ATOM 0 HZ3 LYS A 24 -10.495 -11.987 -5.779 1.00 11.52 H new ATOM 393 N HIS A 25 -7.007 -6.405 -1.399 1.00 53.33 N ATOM 394 CA HIS A 25 -5.675 -5.780 -1.161 1.00 50.43 C ATOM 395 C HIS A 25 -5.639 -4.336 -1.614 1.00 4.45 C ATOM 396 O HIS A 25 -6.496 -3.910 -2.393 1.00 33.24 O ATOM 397 CB HIS A 25 -4.483 -6.557 -1.803 1.00 43.52 C ATOM 398 CG HIS A 25 -4.366 -6.522 -3.317 1.00 64.42 C ATOM 399 ND1 HIS A 25 -4.270 -7.648 -4.085 1.00 63.14 N ATOM 400 CD2 HIS A 25 -4.215 -5.478 -4.179 1.00 22.24 C ATOM 401 CE1 HIS A 25 -4.062 -7.304 -5.338 1.00 35.03 C ATOM 402 NE2 HIS A 25 -4.029 -5.998 -5.418 1.00 20.22 N ATOM 0 H HIS A 25 -7.643 -5.843 -1.965 1.00 53.33 H new ATOM 0 HA HIS A 25 -5.543 -5.826 -0.080 1.00 50.43 H new ATOM 0 HB2 HIS A 25 -3.558 -6.162 -1.384 1.00 43.52 H new ATOM 0 HB3 HIS A 25 -4.554 -7.600 -1.494 1.00 43.52 H new ATOM 0 HD2 HIS A 25 -4.239 -4.429 -3.923 1.00 22.24 H new ATOM 0 HE1 HIS A 25 -3.939 -7.987 -6.165 1.00 35.03 H new ATOM 0 HE2 HIS A 25 -3.887 -5.459 -6.272 1.00 20.22 H new ATOM 411 N LEU A 26 -4.608 -3.617 -1.174 1.00 41.20 N ATOM 412 CA LEU A 26 -4.375 -2.227 -1.561 1.00 0.30 C ATOM 413 C LEU A 26 -3.058 -2.133 -2.311 1.00 23.00 C ATOM 414 O LEU A 26 -2.056 -2.650 -1.860 1.00 0.05 O ATOM 415 CB LEU A 26 -4.270 -1.273 -0.331 1.00 12.42 C ATOM 416 CG LEU A 26 -5.520 -1.002 0.536 1.00 62.22 C ATOM 417 CD1 LEU A 26 -6.008 -2.248 1.235 1.00 2.51 C ATOM 418 CD2 LEU A 26 -5.213 0.089 1.554 1.00 31.42 C ATOM 0 H LEU A 26 -3.905 -3.986 -0.534 1.00 41.20 H new ATOM 0 HA LEU A 26 -5.224 -1.923 -2.173 1.00 0.30 H new ATOM 0 HB2 LEU A 26 -3.498 -1.673 0.326 1.00 12.42 H new ATOM 0 HB3 LEU A 26 -3.911 -0.310 -0.695 1.00 12.42 H new ATOM 0 HG LEU A 26 -6.319 -0.671 -0.127 1.00 62.22 H new ATOM 0 HD11 LEU A 26 -6.888 -2.009 1.832 1.00 2.51 H new ATOM 0 HD12 LEU A 26 -6.267 -3.003 0.493 1.00 2.51 H new ATOM 0 HD13 LEU A 26 -5.222 -2.632 1.885 1.00 2.51 H new ATOM 0 HD21 LEU A 26 -6.097 0.277 2.163 1.00 31.42 H new ATOM 0 HD22 LEU A 26 -4.392 -0.232 2.195 1.00 31.42 H new ATOM 0 HD23 LEU A 26 -4.930 1.004 1.033 1.00 31.42 H new ATOM 430 N LYS A 27 -3.063 -1.508 -3.441 1.00 50.45 N ATOM 431 CA LYS A 27 -1.838 -1.280 -4.181 1.00 52.42 C ATOM 432 C LYS A 27 -1.600 0.208 -4.201 1.00 43.31 C ATOM 433 O LYS A 27 -2.434 0.953 -4.696 1.00 54.02 O ATOM 434 CB LYS A 27 -1.921 -1.819 -5.628 1.00 73.23 C ATOM 435 CG LYS A 27 -0.584 -1.732 -6.391 1.00 10.43 C ATOM 436 CD LYS A 27 -0.694 -2.164 -7.858 1.00 1.12 C ATOM 437 CE LYS A 27 -1.242 -3.578 -8.025 1.00 33.44 C ATOM 438 NZ LYS A 27 -1.478 -3.915 -9.446 1.00 41.33 N ATOM 0 H LYS A 27 -3.903 -1.138 -3.886 1.00 50.45 H new ATOM 0 HA LYS A 27 -1.019 -1.812 -3.697 1.00 52.42 H new ATOM 0 HB2 LYS A 27 -2.249 -2.858 -5.603 1.00 73.23 H new ATOM 0 HB3 LYS A 27 -2.680 -1.258 -6.174 1.00 73.23 H new ATOM 0 HG2 LYS A 27 -0.215 -0.707 -6.348 1.00 10.43 H new ATOM 0 HG3 LYS A 27 0.154 -2.358 -5.889 1.00 10.43 H new ATOM 0 HD2 LYS A 27 -1.340 -1.465 -8.389 1.00 1.12 H new ATOM 0 HD3 LYS A 27 0.290 -2.105 -8.323 1.00 1.12 H new ATOM 0 HE2 LYS A 27 -0.540 -4.292 -7.594 1.00 33.44 H new ATOM 0 HE3 LYS A 27 -2.175 -3.673 -7.470 1.00 33.44 H new ATOM 0 HZ1 LYS A 27 -1.850 -4.884 -9.516 1.00 41.33 H new ATOM 0 HZ2 LYS A 27 -2.167 -3.249 -9.851 1.00 41.33 H new ATOM 0 HZ3 LYS A 27 -0.583 -3.849 -9.972 1.00 41.33 H new ATOM 452 N ILE A 28 -0.504 0.640 -3.668 1.00 24.14 N ATOM 453 CA ILE A 28 -0.239 2.038 -3.584 1.00 30.43 C ATOM 454 C ILE A 28 0.778 2.444 -4.639 1.00 42.30 C ATOM 455 O ILE A 28 1.887 1.868 -4.737 1.00 22.55 O ATOM 456 CB ILE A 28 0.256 2.469 -2.176 1.00 51.20 C ATOM 457 CG1 ILE A 28 -0.704 1.954 -1.092 1.00 64.25 C ATOM 458 CG2 ILE A 28 0.321 3.996 -2.112 1.00 33.43 C ATOM 459 CD1 ILE A 28 -0.287 2.305 0.322 1.00 10.40 C ATOM 0 H ILE A 28 0.226 0.041 -3.282 1.00 24.14 H new ATOM 0 HA ILE A 28 -1.183 2.552 -3.765 1.00 30.43 H new ATOM 0 HB ILE A 28 1.245 2.046 -2.001 1.00 51.20 H new ATOM 0 HG12 ILE A 28 -1.697 2.362 -1.278 1.00 64.25 H new ATOM 0 HG13 ILE A 28 -0.783 0.870 -1.177 1.00 64.25 H new ATOM 0 HG21 ILE A 28 0.668 4.304 -1.126 1.00 33.43 H new ATOM 0 HG22 ILE A 28 1.012 4.363 -2.871 1.00 33.43 H new ATOM 0 HG23 ILE A 28 -0.671 4.410 -2.294 1.00 33.43 H new ATOM 0 HD11 ILE A 28 -1.017 1.905 1.026 1.00 10.40 H new ATOM 0 HD12 ILE A 28 0.692 1.874 0.530 1.00 10.40 H new ATOM 0 HD13 ILE A 28 -0.236 3.389 0.428 1.00 10.40 H new ATOM 471 N LEU A 29 0.380 3.400 -5.421 1.00 43.21 N ATOM 472 CA LEU A 29 1.157 3.956 -6.477 1.00 12.04 C ATOM 473 C LEU A 29 1.317 5.455 -6.270 1.00 50.00 C ATOM 474 O LEU A 29 0.475 6.257 -6.682 1.00 24.33 O ATOM 475 CB LEU A 29 0.525 3.604 -7.846 1.00 10.04 C ATOM 476 CG LEU A 29 0.826 2.183 -8.362 1.00 10.32 C ATOM 477 CD1 LEU A 29 -0.207 1.715 -9.371 1.00 12.42 C ATOM 478 CD2 LEU A 29 2.171 2.197 -9.047 1.00 25.01 C ATOM 0 H LEU A 29 -0.540 3.832 -5.333 1.00 43.21 H new ATOM 0 HA LEU A 29 2.157 3.523 -6.469 1.00 12.04 H new ATOM 0 HB2 LEU A 29 -0.556 3.725 -7.771 1.00 10.04 H new ATOM 0 HB3 LEU A 29 0.876 4.324 -8.586 1.00 10.04 H new ATOM 0 HG LEU A 29 0.809 1.505 -7.509 1.00 10.32 H new ATOM 0 HD11 LEU A 29 0.044 0.709 -9.708 1.00 12.42 H new ATOM 0 HD12 LEU A 29 -1.193 1.707 -8.905 1.00 12.42 H new ATOM 0 HD13 LEU A 29 -0.215 2.393 -10.225 1.00 12.42 H new ATOM 0 HD21 LEU A 29 2.400 1.198 -9.419 1.00 25.01 H new ATOM 0 HD22 LEU A 29 2.147 2.898 -9.881 1.00 25.01 H new ATOM 0 HD23 LEU A 29 2.938 2.505 -8.336 1.00 25.01 H new ATOM 490 N ASN A 30 2.364 5.813 -5.569 1.00 41.52 N ATOM 491 CA ASN A 30 2.673 7.198 -5.283 1.00 72.45 C ATOM 492 C ASN A 30 3.410 7.777 -6.457 1.00 43.31 C ATOM 493 O ASN A 30 4.590 7.486 -6.679 1.00 71.21 O ATOM 494 CB ASN A 30 3.545 7.319 -4.029 1.00 50.22 C ATOM 495 CG ASN A 30 3.839 8.755 -3.635 1.00 24.14 C ATOM 496 OD1 ASN A 30 3.118 9.345 -2.849 1.00 62.55 O ATOM 497 ND2 ASN A 30 4.895 9.327 -4.181 1.00 24.41 N ATOM 0 H ASN A 30 3.032 5.150 -5.177 1.00 41.52 H new ATOM 0 HA ASN A 30 1.743 7.739 -5.107 1.00 72.45 H new ATOM 0 HB2 ASN A 30 3.047 6.817 -3.199 1.00 50.22 H new ATOM 0 HB3 ASN A 30 4.487 6.797 -4.198 1.00 50.22 H new ATOM 0 HD21 ASN A 30 5.129 10.292 -3.949 1.00 24.41 H new ATOM 0 HD22 ASN A 30 5.477 8.804 -4.835 1.00 24.41 H new ATOM 504 N THR A 31 2.723 8.560 -7.206 1.00 13.33 N ATOM 505 CA THR A 31 3.252 9.123 -8.404 1.00 15.24 C ATOM 506 C THR A 31 3.976 10.441 -8.138 1.00 73.30 C ATOM 507 O THR A 31 3.773 11.067 -7.095 1.00 4.05 O ATOM 508 CB THR A 31 2.111 9.371 -9.380 1.00 41.02 C ATOM 509 OG1 THR A 31 1.140 10.230 -8.749 1.00 64.02 O ATOM 510 CG2 THR A 31 1.460 8.062 -9.761 1.00 72.25 C ATOM 0 H THR A 31 1.762 8.835 -7.005 1.00 13.33 H new ATOM 0 HA THR A 31 3.973 8.419 -8.820 1.00 15.24 H new ATOM 0 HB THR A 31 2.498 9.844 -10.282 1.00 41.02 H new ATOM 0 HG1 THR A 31 1.489 10.541 -7.888 1.00 64.02 H new ATOM 0 HG21 THR A 31 0.645 8.251 -10.460 1.00 72.25 H new ATOM 0 HG22 THR A 31 2.198 7.412 -10.231 1.00 72.25 H new ATOM 0 HG23 THR A 31 1.067 7.577 -8.867 1.00 72.25 H new ATOM 518 N PRO A 32 4.824 10.887 -9.077 1.00 64.23 N ATOM 519 CA PRO A 32 5.494 12.158 -8.982 1.00 21.13 C ATOM 520 C PRO A 32 4.683 13.260 -9.691 1.00 45.03 C ATOM 521 O PRO A 32 5.234 14.274 -10.134 1.00 74.32 O ATOM 522 CB PRO A 32 6.826 11.903 -9.719 1.00 33.23 C ATOM 523 CG PRO A 32 6.644 10.624 -10.499 1.00 64.22 C ATOM 524 CD PRO A 32 5.223 10.175 -10.297 1.00 2.52 C ATOM 0 HA PRO A 32 5.626 12.499 -7.955 1.00 21.13 H new ATOM 0 HB2 PRO A 32 7.067 12.732 -10.384 1.00 33.23 H new ATOM 0 HB3 PRO A 32 7.650 11.812 -9.011 1.00 33.23 H new ATOM 0 HG2 PRO A 32 6.849 10.787 -11.557 1.00 64.22 H new ATOM 0 HG3 PRO A 32 7.341 9.861 -10.153 1.00 64.22 H new ATOM 0 HD2 PRO A 32 4.591 10.441 -11.145 1.00 2.52 H new ATOM 0 HD3 PRO A 32 5.154 9.094 -10.175 1.00 2.52 H new ATOM 532 N ASN A 33 3.375 13.055 -9.764 1.00 21.33 N ATOM 533 CA ASN A 33 2.464 13.978 -10.454 1.00 22.31 C ATOM 534 C ASN A 33 1.189 14.178 -9.630 1.00 0.04 C ATOM 535 O ASN A 33 0.597 15.259 -9.622 1.00 55.34 O ATOM 536 CB ASN A 33 2.099 13.405 -11.817 1.00 72.02 C ATOM 537 CG ASN A 33 1.226 14.320 -12.662 1.00 0.04 C ATOM 538 OD1 ASN A 33 1.318 15.542 -12.587 1.00 51.42 O ATOM 539 ND2 ASN A 33 0.377 13.736 -13.471 1.00 2.01 N ATOM 0 H ASN A 33 2.909 12.248 -9.350 1.00 21.33 H new ATOM 0 HA ASN A 33 2.962 14.940 -10.578 1.00 22.31 H new ATOM 0 HB2 ASN A 33 3.016 13.188 -12.365 1.00 72.02 H new ATOM 0 HB3 ASN A 33 1.581 12.457 -11.674 1.00 72.02 H new ATOM 0 HD21 ASN A 33 -0.233 14.299 -14.063 1.00 2.01 H new ATOM 0 HD22 ASN A 33 0.326 12.718 -13.509 1.00 2.01 H new ATOM 546 N CYS A 34 0.795 13.141 -8.926 1.00 33.13 N ATOM 547 CA CYS A 34 -0.373 13.178 -8.087 1.00 60.23 C ATOM 548 C CYS A 34 0.048 12.791 -6.674 1.00 72.23 C ATOM 549 O CYS A 34 0.935 11.941 -6.507 1.00 34.25 O ATOM 550 CB CYS A 34 -1.457 12.209 -8.631 1.00 23.13 C ATOM 551 SG CYS A 34 -2.033 12.587 -10.328 1.00 33.42 S ATOM 0 H CYS A 34 1.281 12.244 -8.922 1.00 33.13 H new ATOM 0 HA CYS A 34 -0.805 14.179 -8.080 1.00 60.23 H new ATOM 0 HB2 CYS A 34 -1.060 11.194 -8.613 1.00 23.13 H new ATOM 0 HB3 CYS A 34 -2.314 12.228 -7.958 1.00 23.13 H new ATOM 556 N ALA A 35 -0.587 13.431 -5.672 1.00 62.14 N ATOM 557 CA ALA A 35 -0.249 13.306 -4.227 1.00 71.23 C ATOM 558 C ALA A 35 0.081 11.877 -3.791 1.00 61.10 C ATOM 559 O ALA A 35 1.171 11.612 -3.278 1.00 11.14 O ATOM 560 CB ALA A 35 -1.396 13.851 -3.388 1.00 40.24 C ATOM 0 H ALA A 35 -1.368 14.065 -5.841 1.00 62.14 H new ATOM 0 HA ALA A 35 0.658 13.889 -4.068 1.00 71.23 H new ATOM 0 HB1 ALA A 35 -1.149 13.760 -2.330 1.00 40.24 H new ATOM 0 HB2 ALA A 35 -1.559 14.900 -3.633 1.00 40.24 H new ATOM 0 HB3 ALA A 35 -2.303 13.284 -3.599 1.00 40.24 H new ATOM 566 N CYS A 36 -0.860 10.987 -3.978 1.00 54.42 N ATOM 567 CA CYS A 36 -0.710 9.589 -3.642 1.00 14.33 C ATOM 568 C CYS A 36 -1.881 8.879 -4.290 1.00 35.11 C ATOM 569 O CYS A 36 -2.904 9.518 -4.557 1.00 74.21 O ATOM 570 CB CYS A 36 -0.718 9.404 -2.102 1.00 23.10 C ATOM 571 SG CYS A 36 -0.383 7.704 -1.519 1.00 13.22 S ATOM 0 H CYS A 36 -1.771 11.216 -4.376 1.00 54.42 H new ATOM 0 HA CYS A 36 0.236 9.182 -3.999 1.00 14.33 H new ATOM 0 HB2 CYS A 36 0.026 10.073 -1.668 1.00 23.10 H new ATOM 0 HB3 CYS A 36 -1.690 9.717 -1.720 1.00 23.10 H new ATOM 576 N GLN A 37 -1.759 7.608 -4.585 1.00 34.44 N ATOM 577 CA GLN A 37 -2.838 6.926 -5.260 1.00 51.42 C ATOM 578 C GLN A 37 -2.873 5.481 -4.807 1.00 52.21 C ATOM 579 O GLN A 37 -1.839 4.832 -4.743 1.00 3.05 O ATOM 580 CB GLN A 37 -2.616 6.990 -6.782 1.00 62.30 C ATOM 581 CG GLN A 37 -3.842 6.680 -7.631 1.00 45.00 C ATOM 582 CD GLN A 37 -4.847 7.842 -7.702 1.00 34.02 C ATOM 583 OE1 GLN A 37 -5.553 7.989 -8.686 1.00 54.44 O ATOM 584 NE2 GLN A 37 -4.881 8.697 -6.701 1.00 33.23 N ATOM 0 H GLN A 37 -0.943 7.034 -4.374 1.00 34.44 H new ATOM 0 HA GLN A 37 -3.786 7.406 -5.018 1.00 51.42 H new ATOM 0 HB2 GLN A 37 -2.259 7.987 -7.039 1.00 62.30 H new ATOM 0 HB3 GLN A 37 -1.824 6.290 -7.047 1.00 62.30 H new ATOM 0 HG2 GLN A 37 -3.520 6.426 -8.641 1.00 45.00 H new ATOM 0 HG3 GLN A 37 -4.343 5.801 -7.225 1.00 45.00 H new ATOM 0 HE21 GLN A 37 -4.282 8.554 -5.888 1.00 33.23 H new ATOM 0 HE22 GLN A 37 -5.507 9.502 -6.739 1.00 33.23 H new ATOM 593 N ILE A 38 -4.043 4.991 -4.475 1.00 11.31 N ATOM 594 CA ILE A 38 -4.179 3.622 -4.037 1.00 41.22 C ATOM 595 C ILE A 38 -5.214 2.935 -4.915 1.00 33.14 C ATOM 596 O ILE A 38 -6.238 3.531 -5.238 1.00 31.10 O ATOM 597 CB ILE A 38 -4.656 3.538 -2.559 1.00 44.44 C ATOM 598 CG1 ILE A 38 -3.813 4.451 -1.652 1.00 65.10 C ATOM 599 CG2 ILE A 38 -4.555 2.097 -2.060 1.00 4.50 C ATOM 600 CD1 ILE A 38 -4.195 4.382 -0.188 1.00 23.35 C ATOM 0 H ILE A 38 -4.915 5.519 -4.500 1.00 11.31 H new ATOM 0 HA ILE A 38 -3.205 3.139 -4.113 1.00 41.22 H new ATOM 0 HB ILE A 38 -5.693 3.871 -2.520 1.00 44.44 H new ATOM 0 HG12 ILE A 38 -2.762 4.181 -1.757 1.00 65.10 H new ATOM 0 HG13 ILE A 38 -3.913 5.481 -1.996 1.00 65.10 H new ATOM 0 HG21 ILE A 38 -4.891 2.046 -1.024 1.00 4.50 H new ATOM 0 HG22 ILE A 38 -5.182 1.454 -2.677 1.00 4.50 H new ATOM 0 HG23 ILE A 38 -3.520 1.762 -2.123 1.00 4.50 H new ATOM 0 HD11 ILE A 38 -3.556 5.053 0.387 1.00 23.35 H new ATOM 0 HD12 ILE A 38 -5.236 4.682 -0.069 1.00 23.35 H new ATOM 0 HD13 ILE A 38 -4.068 3.362 0.174 1.00 23.35 H new ATOM 612 N VAL A 39 -4.944 1.718 -5.318 1.00 63.11 N ATOM 613 CA VAL A 39 -5.868 0.941 -6.118 1.00 24.43 C ATOM 614 C VAL A 39 -6.131 -0.402 -5.407 1.00 35.41 C ATOM 615 O VAL A 39 -5.192 -1.114 -5.051 1.00 42.15 O ATOM 616 CB VAL A 39 -5.303 0.685 -7.549 1.00 42.01 C ATOM 617 CG1 VAL A 39 -6.332 -0.017 -8.425 1.00 1.32 C ATOM 618 CG2 VAL A 39 -4.834 1.991 -8.198 1.00 24.42 C ATOM 0 H VAL A 39 -4.073 1.233 -5.101 1.00 63.11 H new ATOM 0 HA VAL A 39 -6.798 1.500 -6.225 1.00 24.43 H new ATOM 0 HB VAL A 39 -4.438 0.028 -7.453 1.00 42.01 H new ATOM 0 HG11 VAL A 39 -5.912 -0.183 -9.417 1.00 1.32 H new ATOM 0 HG12 VAL A 39 -6.597 -0.975 -7.978 1.00 1.32 H new ATOM 0 HG13 VAL A 39 -7.224 0.604 -8.508 1.00 1.32 H new ATOM 0 HG21 VAL A 39 -4.445 1.783 -9.195 1.00 24.42 H new ATOM 0 HG22 VAL A 39 -5.674 2.682 -8.273 1.00 24.42 H new ATOM 0 HG23 VAL A 39 -4.049 2.439 -7.588 1.00 24.42 H new ATOM 628 N ALA A 40 -7.380 -0.732 -5.202 1.00 11.42 N ATOM 629 CA ALA A 40 -7.755 -1.924 -4.468 1.00 71.15 C ATOM 630 C ALA A 40 -8.420 -2.946 -5.368 1.00 23.44 C ATOM 631 O ALA A 40 -9.201 -2.599 -6.266 1.00 31.13 O ATOM 632 CB ALA A 40 -8.676 -1.567 -3.314 1.00 63.51 C ATOM 0 H ALA A 40 -8.172 -0.184 -5.538 1.00 11.42 H new ATOM 0 HA ALA A 40 -6.842 -2.369 -4.072 1.00 71.15 H new ATOM 0 HB1 ALA A 40 -8.949 -2.473 -2.773 1.00 63.51 H new ATOM 0 HB2 ALA A 40 -8.164 -0.881 -2.639 1.00 63.51 H new ATOM 0 HB3 ALA A 40 -9.577 -1.091 -3.701 1.00 63.51 H new ATOM 638 N ARG A 41 -8.131 -4.208 -5.117 1.00 34.14 N ATOM 639 CA ARG A 41 -8.689 -5.277 -5.899 1.00 30.14 C ATOM 640 C ARG A 41 -9.881 -5.837 -5.147 1.00 10.24 C ATOM 641 O ARG A 41 -9.721 -6.352 -4.048 1.00 74.31 O ATOM 642 CB ARG A 41 -7.649 -6.394 -6.106 1.00 43.51 C ATOM 643 CG ARG A 41 -8.096 -7.491 -7.071 1.00 2.12 C ATOM 644 CD ARG A 41 -8.205 -6.950 -8.488 1.00 30.22 C ATOM 645 NE ARG A 41 -8.764 -7.925 -9.431 1.00 43.02 N ATOM 646 CZ ARG A 41 -9.111 -7.646 -10.703 1.00 4.31 C ATOM 647 NH1 ARG A 41 -8.856 -6.442 -11.222 1.00 44.42 N ATOM 648 NH2 ARG A 41 -9.682 -8.584 -11.457 1.00 72.23 N ATOM 0 H ARG A 41 -7.507 -4.513 -4.370 1.00 34.14 H new ATOM 0 HA ARG A 41 -8.988 -4.899 -6.876 1.00 30.14 H new ATOM 0 HB2 ARG A 41 -6.725 -5.951 -6.479 1.00 43.51 H new ATOM 0 HB3 ARG A 41 -7.419 -6.845 -5.141 1.00 43.51 H new ATOM 0 HG2 ARG A 41 -7.385 -8.316 -7.045 1.00 2.12 H new ATOM 0 HG3 ARG A 41 -9.059 -7.890 -6.754 1.00 2.12 H new ATOM 0 HD2 ARG A 41 -8.830 -6.057 -8.483 1.00 30.22 H new ATOM 0 HD3 ARG A 41 -7.217 -6.645 -8.832 1.00 30.22 H new ATOM 0 HE ARG A 41 -8.899 -8.881 -9.101 1.00 43.02 H new ATOM 0 HH11 ARG A 41 -8.397 -5.729 -10.655 1.00 44.42 H new ATOM 0 HH12 ARG A 41 -9.120 -6.235 -12.185 1.00 44.42 H new ATOM 0 HH21 ARG A 41 -9.856 -9.512 -11.071 1.00 72.23 H new ATOM 0 HH22 ARG A 41 -9.945 -8.374 -12.420 1.00 72.23 H new ATOM 662 N LEU A 42 -11.050 -5.704 -5.720 1.00 54.42 N ATOM 663 CA LEU A 42 -12.283 -6.220 -5.122 1.00 12.45 C ATOM 664 C LEU A 42 -12.335 -7.730 -5.179 1.00 73.04 C ATOM 665 O LEU A 42 -11.636 -8.356 -5.989 1.00 33.05 O ATOM 666 CB LEU A 42 -13.553 -5.644 -5.825 1.00 35.23 C ATOM 667 CG LEU A 42 -13.902 -4.167 -5.593 1.00 24.42 C ATOM 668 CD1 LEU A 42 -14.119 -3.872 -4.124 1.00 12.55 C ATOM 669 CD2 LEU A 42 -12.864 -3.254 -6.171 1.00 51.31 C ATOM 0 H LEU A 42 -11.188 -5.236 -6.616 1.00 54.42 H new ATOM 0 HA LEU A 42 -12.277 -5.898 -4.081 1.00 12.45 H new ATOM 0 HB2 LEU A 42 -13.437 -5.794 -6.898 1.00 35.23 H new ATOM 0 HB3 LEU A 42 -14.408 -6.242 -5.510 1.00 35.23 H new ATOM 0 HG LEU A 42 -14.839 -3.977 -6.116 1.00 24.42 H new ATOM 0 HD11 LEU A 42 -14.364 -2.818 -3.997 1.00 12.55 H new ATOM 0 HD12 LEU A 42 -14.939 -4.483 -3.747 1.00 12.55 H new ATOM 0 HD13 LEU A 42 -13.210 -4.103 -3.568 1.00 12.55 H new ATOM 0 HD21 LEU A 42 -13.147 -2.218 -5.986 1.00 51.31 H new ATOM 0 HD22 LEU A 42 -11.901 -3.456 -5.703 1.00 51.31 H new ATOM 0 HD23 LEU A 42 -12.788 -3.423 -7.245 1.00 51.31 H new ATOM 681 N LYS A 43 -13.120 -8.319 -4.285 1.00 45.41 N ATOM 682 CA LYS A 43 -13.412 -9.734 -4.323 1.00 64.04 C ATOM 683 C LYS A 43 -14.293 -10.019 -5.526 1.00 34.41 C ATOM 684 O LYS A 43 -15.531 -10.025 -5.421 1.00 40.23 O ATOM 685 CB LYS A 43 -14.092 -10.136 -3.025 1.00 64.35 C ATOM 686 CG LYS A 43 -13.227 -9.813 -1.837 1.00 11.21 C ATOM 687 CD LYS A 43 -13.908 -9.992 -0.524 1.00 41.42 C ATOM 688 CE LYS A 43 -14.363 -11.425 -0.301 1.00 54.22 C ATOM 689 NZ LYS A 43 -14.987 -11.614 1.021 1.00 61.44 N ATOM 0 H LYS A 43 -13.569 -7.823 -3.515 1.00 45.41 H new ATOM 0 HA LYS A 43 -12.497 -10.318 -4.421 1.00 64.04 H new ATOM 0 HB2 LYS A 43 -15.047 -9.617 -2.935 1.00 64.35 H new ATOM 0 HB3 LYS A 43 -14.310 -11.204 -3.041 1.00 64.35 H new ATOM 0 HG2 LYS A 43 -12.340 -10.446 -1.864 1.00 11.21 H new ATOM 0 HG3 LYS A 43 -12.885 -8.781 -1.919 1.00 11.21 H new ATOM 0 HD2 LYS A 43 -13.230 -9.700 0.278 1.00 41.42 H new ATOM 0 HD3 LYS A 43 -14.770 -9.327 -0.471 1.00 41.42 H new ATOM 0 HE2 LYS A 43 -15.074 -11.704 -1.079 1.00 54.22 H new ATOM 0 HE3 LYS A 43 -13.508 -12.094 -0.396 1.00 54.22 H new ATOM 0 HZ1 LYS A 43 -15.281 -12.606 1.127 1.00 61.44 H new ATOM 0 HZ2 LYS A 43 -14.302 -11.374 1.766 1.00 61.44 H new ATOM 0 HZ3 LYS A 43 -15.819 -10.996 1.104 1.00 61.44 H new ATOM 745 N ARG A 47 -14.580 -4.986 -10.969 1.00 31.24 N ATOM 746 CA ARG A 47 -13.364 -4.304 -11.374 1.00 54.23 C ATOM 747 C ARG A 47 -12.494 -4.035 -10.170 1.00 42.31 C ATOM 748 O ARG A 47 -12.823 -4.439 -9.059 1.00 43.12 O ATOM 749 CB ARG A 47 -13.691 -2.938 -12.073 1.00 71.35 C ATOM 750 CG ARG A 47 -14.134 -1.766 -11.145 1.00 31.13 C ATOM 751 CD ARG A 47 -15.461 -1.982 -10.419 1.00 14.03 C ATOM 752 NE ARG A 47 -16.599 -2.015 -11.332 1.00 63.12 N ATOM 753 CZ ARG A 47 -17.858 -1.661 -11.019 1.00 14.32 C ATOM 754 NH1 ARG A 47 -18.163 -1.252 -9.788 1.00 11.40 N ATOM 755 NH2 ARG A 47 -18.807 -1.730 -11.943 1.00 53.13 N ATOM 0 HA ARG A 47 -12.840 -4.950 -12.078 1.00 54.23 H new ATOM 0 HB2 ARG A 47 -12.808 -2.619 -12.626 1.00 71.35 H new ATOM 0 HB3 ARG A 47 -14.481 -3.110 -12.804 1.00 71.35 H new ATOM 0 HG2 ARG A 47 -13.354 -1.596 -10.402 1.00 31.13 H new ATOM 0 HG3 ARG A 47 -14.208 -0.858 -11.743 1.00 31.13 H new ATOM 0 HD2 ARG A 47 -15.419 -2.918 -9.862 1.00 14.03 H new ATOM 0 HD3 ARG A 47 -15.607 -1.184 -9.691 1.00 14.03 H new ATOM 0 HE ARG A 47 -16.425 -2.333 -12.286 1.00 63.12 H new ATOM 0 HH11 ARG A 47 -17.438 -1.205 -9.072 1.00 11.40 H new ATOM 0 HH12 ARG A 47 -19.121 -0.986 -9.562 1.00 11.40 H new ATOM 0 HH21 ARG A 47 -18.580 -2.050 -12.884 1.00 53.13 H new ATOM 0 HH22 ARG A 47 -19.764 -1.463 -11.712 1.00 53.13 H new ATOM 769 N GLN A 48 -11.396 -3.369 -10.405 1.00 52.23 N ATOM 770 CA GLN A 48 -10.545 -2.882 -9.371 1.00 12.34 C ATOM 771 C GLN A 48 -10.895 -1.417 -9.184 1.00 14.12 C ATOM 772 O GLN A 48 -11.158 -0.720 -10.167 1.00 21.41 O ATOM 773 CB GLN A 48 -9.026 -3.036 -9.721 1.00 50.45 C ATOM 774 CG GLN A 48 -8.500 -2.247 -10.957 1.00 43.22 C ATOM 775 CD GLN A 48 -8.857 -2.834 -12.339 1.00 11.35 C ATOM 776 OE1 GLN A 48 -9.880 -3.490 -12.535 1.00 72.03 O ATOM 777 NE2 GLN A 48 -8.006 -2.594 -13.297 1.00 65.34 N ATOM 0 H GLN A 48 -11.067 -3.149 -11.345 1.00 52.23 H new ATOM 0 HA GLN A 48 -10.701 -3.461 -8.461 1.00 12.34 H new ATOM 0 HB2 GLN A 48 -8.445 -2.729 -8.851 1.00 50.45 H new ATOM 0 HB3 GLN A 48 -8.822 -4.094 -9.883 1.00 50.45 H new ATOM 0 HG2 GLN A 48 -8.888 -1.230 -10.905 1.00 43.22 H new ATOM 0 HG3 GLN A 48 -7.415 -2.178 -10.884 1.00 43.22 H new ATOM 0 HE21 GLN A 48 -7.166 -2.047 -13.108 1.00 65.34 H new ATOM 0 HE22 GLN A 48 -8.180 -2.953 -14.236 1.00 65.34 H new ATOM 786 N VAL A 49 -10.930 -0.960 -7.969 1.00 74.30 N ATOM 787 CA VAL A 49 -11.316 0.417 -7.707 1.00 75.23 C ATOM 788 C VAL A 49 -10.195 1.153 -7.060 1.00 72.23 C ATOM 789 O VAL A 49 -9.313 0.547 -6.465 1.00 4.34 O ATOM 790 CB VAL A 49 -12.617 0.587 -6.871 1.00 32.44 C ATOM 791 CG1 VAL A 49 -13.812 -0.108 -7.509 1.00 14.35 C ATOM 792 CG2 VAL A 49 -12.432 0.207 -5.405 1.00 30.20 C ATOM 0 H VAL A 49 -10.700 -1.507 -7.139 1.00 74.30 H new ATOM 0 HA VAL A 49 -11.541 0.842 -8.685 1.00 75.23 H new ATOM 0 HB VAL A 49 -12.843 1.653 -6.877 1.00 32.44 H new ATOM 0 HG11 VAL A 49 -14.694 0.041 -6.887 1.00 14.35 H new ATOM 0 HG12 VAL A 49 -13.991 0.312 -8.499 1.00 14.35 H new ATOM 0 HG13 VAL A 49 -13.607 -1.175 -7.599 1.00 14.35 H new ATOM 0 HG21 VAL A 49 -13.372 0.346 -4.872 1.00 30.20 H new ATOM 0 HG22 VAL A 49 -12.126 -0.837 -5.336 1.00 30.20 H new ATOM 0 HG23 VAL A 49 -11.665 0.840 -4.959 1.00 30.20 H new ATOM 802 N CYS A 50 -10.215 2.419 -7.161 1.00 51.23 N ATOM 803 CA CYS A 50 -9.167 3.212 -6.624 1.00 15.42 C ATOM 804 C CYS A 50 -9.663 3.830 -5.337 1.00 63.10 C ATOM 805 O CYS A 50 -10.834 4.013 -5.172 1.00 64.31 O ATOM 806 CB CYS A 50 -8.795 4.277 -7.635 1.00 74.34 C ATOM 807 SG CYS A 50 -8.339 3.606 -9.264 1.00 72.41 S ATOM 0 H CYS A 50 -10.958 2.947 -7.619 1.00 51.23 H new ATOM 0 HA CYS A 50 -8.280 2.614 -6.414 1.00 15.42 H new ATOM 0 HB2 CYS A 50 -9.635 4.961 -7.755 1.00 74.34 H new ATOM 0 HB3 CYS A 50 -7.961 4.861 -7.245 1.00 74.34 H new ATOM 812 N ILE A 51 -8.789 4.102 -4.416 1.00 53.03 N ATOM 813 CA ILE A 51 -9.206 4.680 -3.153 1.00 15.14 C ATOM 814 C ILE A 51 -8.469 5.909 -2.781 1.00 62.00 C ATOM 815 O ILE A 51 -7.282 6.082 -3.124 1.00 25.11 O ATOM 816 CB ILE A 51 -9.279 3.704 -1.918 1.00 14.15 C ATOM 817 CG1 ILE A 51 -8.043 2.835 -1.697 1.00 63.43 C ATOM 818 CG2 ILE A 51 -10.468 2.849 -1.989 1.00 12.25 C ATOM 819 CD1 ILE A 51 -7.823 1.769 -2.753 1.00 73.24 C ATOM 0 H ILE A 51 -7.786 3.938 -4.504 1.00 53.03 H new ATOM 0 HA ILE A 51 -10.239 4.942 -3.382 1.00 15.14 H new ATOM 0 HB ILE A 51 -9.335 4.371 -1.058 1.00 14.15 H new ATOM 0 HG12 ILE A 51 -7.164 3.479 -1.661 1.00 63.43 H new ATOM 0 HG13 ILE A 51 -8.124 2.352 -0.723 1.00 63.43 H new ATOM 0 HG21 ILE A 51 -10.492 2.186 -1.124 1.00 12.25 H new ATOM 0 HG22 ILE A 51 -11.363 3.471 -1.995 1.00 12.25 H new ATOM 0 HG23 ILE A 51 -10.434 2.254 -2.901 1.00 12.25 H new ATOM 0 HD11 ILE A 51 -6.924 1.201 -2.515 1.00 73.24 H new ATOM 0 HD12 ILE A 51 -8.681 1.097 -2.776 1.00 73.24 H new ATOM 0 HD13 ILE A 51 -7.706 2.242 -3.728 1.00 73.24 H new ATOM 831 N ASP A 52 -9.188 6.784 -2.106 1.00 32.41 N ATOM 832 CA ASP A 52 -8.631 8.000 -1.575 1.00 72.35 C ATOM 833 C ASP A 52 -7.701 7.602 -0.429 1.00 43.14 C ATOM 834 O ASP A 52 -8.121 6.894 0.481 1.00 75.42 O ATOM 835 CB ASP A 52 -9.771 8.889 -1.019 1.00 41.42 C ATOM 836 CG ASP A 52 -9.329 10.303 -0.644 1.00 23.43 C ATOM 837 OD1 ASP A 52 -8.273 10.473 -0.030 1.00 52.44 O ATOM 838 OD2 ASP A 52 -10.041 11.263 -1.003 1.00 72.33 O ATOM 0 H ASP A 52 -10.182 6.665 -1.912 1.00 32.41 H new ATOM 0 HA ASP A 52 -8.095 8.554 -2.346 1.00 72.35 H new ATOM 0 HB2 ASP A 52 -10.564 8.953 -1.764 1.00 41.42 H new ATOM 0 HB3 ASP A 52 -10.198 8.407 -0.139 1.00 41.42 H new ATOM 843 N PRO A 53 -6.430 8.002 -0.467 1.00 24.42 N ATOM 844 CA PRO A 53 -5.481 7.691 0.607 1.00 1.32 C ATOM 845 C PRO A 53 -5.866 8.352 1.950 1.00 63.02 C ATOM 846 O PRO A 53 -5.319 8.019 3.011 1.00 74.32 O ATOM 847 CB PRO A 53 -4.150 8.252 0.087 1.00 33.32 C ATOM 848 CG PRO A 53 -4.528 9.255 -0.947 1.00 1.31 C ATOM 849 CD PRO A 53 -5.803 8.758 -1.558 1.00 72.22 C ATOM 0 HA PRO A 53 -5.450 6.623 0.822 1.00 1.32 H new ATOM 0 HB2 PRO A 53 -3.575 8.712 0.891 1.00 33.32 H new ATOM 0 HB3 PRO A 53 -3.529 7.463 -0.338 1.00 33.32 H new ATOM 0 HG2 PRO A 53 -4.667 10.240 -0.502 1.00 1.31 H new ATOM 0 HG3 PRO A 53 -3.746 9.352 -1.700 1.00 1.31 H new ATOM 0 HD2 PRO A 53 -6.436 9.580 -1.893 1.00 72.22 H new ATOM 0 HD3 PRO A 53 -5.613 8.128 -2.427 1.00 72.22 H new ATOM 857 N LYS A 54 -6.800 9.275 1.897 1.00 13.42 N ATOM 858 CA LYS A 54 -7.235 9.985 3.052 1.00 11.11 C ATOM 859 C LYS A 54 -8.645 9.489 3.488 1.00 33.13 C ATOM 860 O LYS A 54 -9.268 10.063 4.382 1.00 14.32 O ATOM 861 CB LYS A 54 -7.237 11.466 2.699 1.00 63.54 C ATOM 862 CG LYS A 54 -5.922 11.885 2.007 1.00 24.20 C ATOM 863 CD LYS A 54 -5.928 13.323 1.550 1.00 13.44 C ATOM 864 CE LYS A 54 -5.922 14.264 2.711 1.00 33.45 C ATOM 865 NZ LYS A 54 -4.655 14.205 3.471 1.00 41.43 N ATOM 0 H LYS A 54 -7.276 9.548 1.037 1.00 13.42 H new ATOM 0 HA LYS A 54 -6.569 9.813 3.897 1.00 11.11 H new ATOM 0 HB2 LYS A 54 -8.080 11.683 2.043 1.00 63.54 H new ATOM 0 HB3 LYS A 54 -7.377 12.057 3.604 1.00 63.54 H new ATOM 0 HG2 LYS A 54 -5.091 11.732 2.695 1.00 24.20 H new ATOM 0 HG3 LYS A 54 -5.748 11.237 1.148 1.00 24.20 H new ATOM 0 HD2 LYS A 54 -5.056 13.511 0.923 1.00 13.44 H new ATOM 0 HD3 LYS A 54 -6.809 13.507 0.935 1.00 13.44 H new ATOM 0 HE2 LYS A 54 -6.082 15.281 2.353 1.00 33.45 H new ATOM 0 HE3 LYS A 54 -6.753 14.025 3.374 1.00 33.45 H new ATOM 0 HZ1 LYS A 54 -4.676 14.910 4.236 1.00 41.43 H new ATOM 0 HZ2 LYS A 54 -4.538 13.255 3.878 1.00 41.43 H new ATOM 0 HZ3 LYS A 54 -3.858 14.409 2.834 1.00 41.43 H new ATOM 879 N LEU A 55 -9.120 8.410 2.845 1.00 12.41 N ATOM 880 CA LEU A 55 -10.396 7.778 3.153 1.00 65.11 C ATOM 881 C LEU A 55 -10.338 7.238 4.602 1.00 52.12 C ATOM 882 O LEU A 55 -9.308 6.724 5.022 1.00 33.40 O ATOM 883 CB LEU A 55 -10.569 6.610 2.166 1.00 72.34 C ATOM 884 CG LEU A 55 -11.977 6.156 1.801 1.00 25.11 C ATOM 885 CD1 LEU A 55 -11.919 5.024 0.775 1.00 64.31 C ATOM 886 CD2 LEU A 55 -12.804 5.744 3.003 1.00 71.32 C ATOM 0 H LEU A 55 -8.615 7.952 2.087 1.00 12.41 H new ATOM 0 HA LEU A 55 -11.227 8.478 3.066 1.00 65.11 H new ATOM 0 HB2 LEU A 55 -10.061 6.882 1.241 1.00 72.34 H new ATOM 0 HB3 LEU A 55 -10.042 5.750 2.578 1.00 72.34 H new ATOM 0 HG LEU A 55 -12.480 7.019 1.365 1.00 25.11 H new ATOM 0 HD11 LEU A 55 -12.932 4.709 0.523 1.00 64.31 H new ATOM 0 HD12 LEU A 55 -11.413 5.374 -0.125 1.00 64.31 H new ATOM 0 HD13 LEU A 55 -11.371 4.181 1.194 1.00 64.31 H new ATOM 0 HD21 LEU A 55 -13.795 5.432 2.673 1.00 71.32 H new ATOM 0 HD22 LEU A 55 -12.314 4.916 3.515 1.00 71.32 H new ATOM 0 HD23 LEU A 55 -12.898 6.588 3.686 1.00 71.32 H new ATOM 898 N LYS A 56 -11.451 7.344 5.333 1.00 10.44 N ATOM 899 CA LYS A 56 -11.534 6.943 6.744 1.00 72.32 C ATOM 900 C LYS A 56 -10.965 5.541 7.054 1.00 41.33 C ATOM 901 O LYS A 56 -10.140 5.415 7.949 1.00 33.01 O ATOM 902 CB LYS A 56 -12.948 7.088 7.285 1.00 24.22 C ATOM 903 CG LYS A 56 -13.016 6.806 8.769 1.00 32.14 C ATOM 904 CD LYS A 56 -14.360 7.119 9.363 1.00 40.53 C ATOM 905 CE LYS A 56 -15.479 6.261 8.790 1.00 33.02 C ATOM 906 NZ LYS A 56 -16.768 6.558 9.446 1.00 54.01 N ATOM 0 H LYS A 56 -12.327 7.713 4.962 1.00 10.44 H new ATOM 0 HA LYS A 56 -10.881 7.641 7.267 1.00 72.32 H new ATOM 0 HB2 LYS A 56 -13.309 8.098 7.091 1.00 24.22 H new ATOM 0 HB3 LYS A 56 -13.611 6.405 6.755 1.00 24.22 H new ATOM 0 HG2 LYS A 56 -12.782 5.756 8.945 1.00 32.14 H new ATOM 0 HG3 LYS A 56 -12.253 7.393 9.280 1.00 32.14 H new ATOM 0 HD2 LYS A 56 -14.316 6.975 10.443 1.00 40.53 H new ATOM 0 HD3 LYS A 56 -14.591 8.170 9.191 1.00 40.53 H new ATOM 0 HE2 LYS A 56 -15.564 6.438 7.718 1.00 33.02 H new ATOM 0 HE3 LYS A 56 -15.236 5.207 8.921 1.00 33.02 H new ATOM 0 HZ1 LYS A 56 -17.512 5.959 9.036 1.00 54.01 H new ATOM 0 HZ2 LYS A 56 -16.691 6.366 10.465 1.00 54.01 H new ATOM 0 HZ3 LYS A 56 -17.009 7.559 9.300 1.00 54.01 H new ATOM 920 N TRP A 57 -11.378 4.492 6.328 1.00 23.10 N ATOM 921 CA TRP A 57 -10.818 3.158 6.629 1.00 12.42 C ATOM 922 C TRP A 57 -9.344 3.068 6.269 1.00 60.20 C ATOM 923 O TRP A 57 -8.596 2.301 6.864 1.00 71.21 O ATOM 924 CB TRP A 57 -11.637 1.957 6.079 1.00 64.24 C ATOM 925 CG TRP A 57 -11.840 1.878 4.588 1.00 62.15 C ATOM 926 CD1 TRP A 57 -12.864 2.414 3.874 1.00 64.12 C ATOM 927 CD2 TRP A 57 -11.024 1.168 3.641 1.00 13.14 C ATOM 928 NE1 TRP A 57 -12.736 2.094 2.548 1.00 31.23 N ATOM 929 CE2 TRP A 57 -11.616 1.331 2.377 1.00 63.23 C ATOM 930 CE3 TRP A 57 -9.850 0.415 3.740 1.00 4.22 C ATOM 931 CZ2 TRP A 57 -11.078 0.770 1.224 1.00 71.23 C ATOM 932 CZ3 TRP A 57 -9.319 -0.144 2.593 1.00 74.54 C ATOM 933 CH2 TRP A 57 -9.936 0.038 1.350 1.00 74.24 C ATOM 0 H TRP A 57 -12.059 4.528 5.569 1.00 23.10 H new ATOM 0 HA TRP A 57 -10.905 3.062 7.711 1.00 12.42 H new ATOM 0 HB2 TRP A 57 -11.145 1.039 6.401 1.00 64.24 H new ATOM 0 HB3 TRP A 57 -12.619 1.975 6.552 1.00 64.24 H new ATOM 0 HD1 TRP A 57 -13.664 3.007 4.292 1.00 64.12 H new ATOM 0 HE1 TRP A 57 -13.375 2.380 1.806 1.00 31.23 H new ATOM 0 HE3 TRP A 57 -9.367 0.273 4.695 1.00 4.22 H new ATOM 0 HZ2 TRP A 57 -11.549 0.910 0.262 1.00 71.23 H new ATOM 0 HZ3 TRP A 57 -8.414 -0.730 2.657 1.00 74.54 H new ATOM 0 HH2 TRP A 57 -9.497 -0.412 0.472 1.00 74.24 H new ATOM 944 N ILE A 58 -8.935 3.868 5.304 1.00 62.44 N ATOM 945 CA ILE A 58 -7.543 3.933 4.900 1.00 10.20 C ATOM 946 C ILE A 58 -6.717 4.590 6.018 1.00 70.20 C ATOM 947 O ILE A 58 -5.612 4.157 6.304 1.00 15.21 O ATOM 948 CB ILE A 58 -7.370 4.728 3.565 1.00 21.14 C ATOM 949 CG1 ILE A 58 -8.121 4.043 2.409 1.00 31.45 C ATOM 950 CG2 ILE A 58 -5.897 4.877 3.210 1.00 62.53 C ATOM 951 CD1 ILE A 58 -7.581 2.687 2.048 1.00 71.32 C ATOM 0 H ILE A 58 -9.553 4.488 4.780 1.00 62.44 H new ATOM 0 HA ILE A 58 -7.188 2.917 4.727 1.00 10.20 H new ATOM 0 HB ILE A 58 -7.797 5.719 3.716 1.00 21.14 H new ATOM 0 HG12 ILE A 58 -9.172 3.944 2.680 1.00 31.45 H new ATOM 0 HG13 ILE A 58 -8.078 4.686 1.530 1.00 31.45 H new ATOM 0 HG21 ILE A 58 -5.802 5.433 2.278 1.00 62.53 H new ATOM 0 HG22 ILE A 58 -5.383 5.414 4.007 1.00 62.53 H new ATOM 0 HG23 ILE A 58 -5.450 3.890 3.091 1.00 62.53 H new ATOM 0 HD11 ILE A 58 -8.163 2.271 1.226 1.00 71.32 H new ATOM 0 HD12 ILE A 58 -6.538 2.780 1.744 1.00 71.32 H new ATOM 0 HD13 ILE A 58 -7.649 2.026 2.912 1.00 71.32 H new ATOM 963 N GLN A 59 -7.296 5.617 6.658 1.00 34.12 N ATOM 964 CA GLN A 59 -6.644 6.345 7.765 1.00 14.11 C ATOM 965 C GLN A 59 -6.228 5.376 8.858 1.00 14.24 C ATOM 966 O GLN A 59 -5.058 5.312 9.238 1.00 63.35 O ATOM 967 CB GLN A 59 -7.647 7.333 8.378 1.00 0.42 C ATOM 968 CG GLN A 59 -8.203 8.360 7.418 1.00 50.32 C ATOM 969 CD GLN A 59 -7.193 9.367 6.985 1.00 44.21 C ATOM 970 OE1 GLN A 59 -7.058 10.415 7.609 1.00 3.31 O ATOM 971 NE2 GLN A 59 -6.470 9.075 5.935 1.00 62.04 N ATOM 0 H GLN A 59 -8.225 5.968 6.427 1.00 34.12 H new ATOM 0 HA GLN A 59 -5.770 6.864 7.372 1.00 14.11 H new ATOM 0 HB2 GLN A 59 -8.477 6.768 8.802 1.00 0.42 H new ATOM 0 HB3 GLN A 59 -7.162 7.855 9.203 1.00 0.42 H new ATOM 0 HG2 GLN A 59 -8.598 7.850 6.539 1.00 50.32 H new ATOM 0 HG3 GLN A 59 -9.040 8.874 7.891 1.00 50.32 H new ATOM 0 HE21 GLN A 59 -6.615 8.192 5.445 1.00 62.04 H new ATOM 0 HE22 GLN A 59 -5.761 9.730 5.606 1.00 62.04 H new ATOM 980 N GLU A 60 -7.187 4.578 9.302 1.00 61.23 N ATOM 981 CA GLU A 60 -6.975 3.607 10.348 1.00 50.42 C ATOM 982 C GLU A 60 -6.013 2.531 9.889 1.00 31.33 C ATOM 983 O GLU A 60 -5.133 2.095 10.649 1.00 2.05 O ATOM 984 CB GLU A 60 -8.310 2.970 10.738 1.00 34.12 C ATOM 985 CG GLU A 60 -9.338 3.937 11.315 1.00 3.41 C ATOM 986 CD GLU A 60 -8.847 4.600 12.575 1.00 14.04 C ATOM 987 OE1 GLU A 60 -8.807 3.943 13.625 1.00 63.12 O ATOM 988 OE2 GLU A 60 -8.455 5.778 12.529 1.00 62.53 O ATOM 0 H GLU A 60 -8.140 4.591 8.939 1.00 61.23 H new ATOM 0 HA GLU A 60 -6.545 4.114 11.212 1.00 50.42 H new ATOM 0 HB2 GLU A 60 -8.738 2.490 9.858 1.00 34.12 H new ATOM 0 HB3 GLU A 60 -8.121 2.184 11.469 1.00 34.12 H new ATOM 0 HG2 GLU A 60 -9.574 4.700 10.573 1.00 3.41 H new ATOM 0 HG3 GLU A 60 -10.263 3.400 11.525 1.00 3.41 H new ATOM 995 N TYR A 61 -6.171 2.121 8.634 1.00 32.34 N ATOM 996 CA TYR A 61 -5.358 1.082 8.045 1.00 2.34 C ATOM 997 C TYR A 61 -3.891 1.502 8.062 1.00 51.02 C ATOM 998 O TYR A 61 -3.037 0.784 8.596 1.00 1.12 O ATOM 999 CB TYR A 61 -5.813 0.822 6.594 1.00 34.11 C ATOM 1000 CG TYR A 61 -5.177 -0.384 5.939 1.00 33.33 C ATOM 1001 CD1 TYR A 61 -3.892 -0.333 5.402 1.00 33.42 C ATOM 1002 CD2 TYR A 61 -5.868 -1.585 5.865 1.00 74.44 C ATOM 1003 CE1 TYR A 61 -3.328 -1.428 4.821 1.00 22.41 C ATOM 1004 CE2 TYR A 61 -5.302 -2.694 5.284 1.00 45.14 C ATOM 1005 CZ TYR A 61 -4.024 -2.605 4.761 1.00 72.20 C ATOM 1006 OH TYR A 61 -3.438 -3.694 4.197 1.00 72.43 O ATOM 0 H TYR A 61 -6.872 2.507 8.001 1.00 32.34 H new ATOM 0 HA TYR A 61 -5.473 0.166 8.624 1.00 2.34 H new ATOM 0 HB2 TYR A 61 -6.896 0.695 6.584 1.00 34.11 H new ATOM 0 HB3 TYR A 61 -5.590 1.704 5.994 1.00 34.11 H new ATOM 0 HD1 TYR A 61 -3.334 0.591 5.447 1.00 33.42 H new ATOM 0 HD2 TYR A 61 -6.867 -1.649 6.271 1.00 74.44 H new ATOM 0 HE1 TYR A 61 -2.332 -1.368 4.408 1.00 22.41 H new ATOM 0 HE2 TYR A 61 -5.848 -3.624 5.236 1.00 45.14 H new ATOM 0 HH TYR A 61 -4.099 -4.181 3.661 1.00 72.43 H new ATOM 1016 N LEU A 62 -3.618 2.677 7.500 1.00 15.12 N ATOM 1017 CA LEU A 62 -2.267 3.215 7.420 1.00 11.40 C ATOM 1018 C LEU A 62 -1.677 3.393 8.793 1.00 42.51 C ATOM 1019 O LEU A 62 -0.578 2.925 9.051 1.00 10.13 O ATOM 1020 CB LEU A 62 -2.239 4.552 6.673 1.00 14.14 C ATOM 1021 CG LEU A 62 -2.791 4.543 5.254 1.00 4.31 C ATOM 1022 CD1 LEU A 62 -2.683 5.922 4.629 1.00 0.33 C ATOM 1023 CD2 LEU A 62 -2.095 3.504 4.385 1.00 61.33 C ATOM 0 H LEU A 62 -4.329 3.281 7.088 1.00 15.12 H new ATOM 0 HA LEU A 62 -1.667 2.494 6.864 1.00 11.40 H new ATOM 0 HB2 LEU A 62 -2.803 5.281 7.255 1.00 14.14 H new ATOM 0 HB3 LEU A 62 -1.207 4.902 6.637 1.00 14.14 H new ATOM 0 HG LEU A 62 -3.844 4.269 5.314 1.00 4.31 H new ATOM 0 HD11 LEU A 62 -3.083 5.894 3.615 1.00 0.33 H new ATOM 0 HD12 LEU A 62 -3.252 6.637 5.224 1.00 0.33 H new ATOM 0 HD13 LEU A 62 -1.637 6.227 4.598 1.00 0.33 H new ATOM 0 HD21 LEU A 62 -2.517 3.529 3.380 1.00 61.33 H new ATOM 0 HD22 LEU A 62 -1.029 3.725 4.336 1.00 61.33 H new ATOM 0 HD23 LEU A 62 -2.240 2.513 4.815 1.00 61.33 H new ATOM 1035 N GLU A 63 -2.415 4.052 9.688 1.00 53.44 N ATOM 1036 CA GLU A 63 -1.923 4.262 11.052 1.00 24.23 C ATOM 1037 C GLU A 63 -1.528 2.968 11.764 1.00 21.20 C ATOM 1038 O GLU A 63 -0.426 2.873 12.319 1.00 33.12 O ATOM 1039 CB GLU A 63 -2.924 4.941 11.942 1.00 21.51 C ATOM 1040 CG GLU A 63 -3.291 6.346 11.629 1.00 44.50 C ATOM 1041 CD GLU A 63 -4.047 6.923 12.785 1.00 74.44 C ATOM 1042 OE1 GLU A 63 -5.234 6.621 12.938 1.00 35.41 O ATOM 1043 OE2 GLU A 63 -3.424 7.625 13.611 1.00 72.22 O ATOM 0 H GLU A 63 -3.338 4.443 9.500 1.00 53.44 H new ATOM 0 HA GLU A 63 -1.048 4.894 10.902 1.00 24.23 H new ATOM 0 HB2 GLU A 63 -3.838 4.347 11.932 1.00 21.51 H new ATOM 0 HB3 GLU A 63 -2.538 4.915 12.961 1.00 21.51 H new ATOM 0 HG2 GLU A 63 -2.394 6.935 11.434 1.00 44.50 H new ATOM 0 HG3 GLU A 63 -3.899 6.384 10.725 1.00 44.50 H new ATOM 1050 N LYS A 64 -2.418 1.963 11.755 1.00 3.41 N ATOM 1051 CA LYS A 64 -2.175 0.729 12.518 1.00 51.11 C ATOM 1052 C LYS A 64 -1.075 -0.095 11.878 1.00 34.01 C ATOM 1053 O LYS A 64 -0.508 -1.005 12.471 1.00 52.12 O ATOM 1054 CB LYS A 64 -3.488 -0.068 12.739 1.00 43.13 C ATOM 1055 CG LYS A 64 -4.071 -0.787 11.545 1.00 64.41 C ATOM 1056 CD LYS A 64 -3.457 -2.154 11.375 1.00 32.43 C ATOM 1057 CE LYS A 64 -4.121 -2.888 10.263 1.00 43.54 C ATOM 1058 NZ LYS A 64 -3.650 -4.279 10.177 1.00 10.23 N ATOM 0 H LYS A 64 -3.297 1.979 11.238 1.00 3.41 H new ATOM 0 HA LYS A 64 -1.819 1.001 13.512 1.00 51.11 H new ATOM 0 HB2 LYS A 64 -3.308 -0.805 13.522 1.00 43.13 H new ATOM 0 HB3 LYS A 64 -4.242 0.622 13.118 1.00 43.13 H new ATOM 0 HG2 LYS A 64 -5.150 -0.883 11.667 1.00 64.41 H new ATOM 0 HG3 LYS A 64 -3.903 -0.196 10.645 1.00 64.41 H new ATOM 0 HD2 LYS A 64 -2.391 -2.058 11.170 1.00 32.43 H new ATOM 0 HD3 LYS A 64 -3.553 -2.720 12.301 1.00 32.43 H new ATOM 0 HE2 LYS A 64 -5.201 -2.877 10.412 1.00 43.54 H new ATOM 0 HE3 LYS A 64 -3.924 -2.377 9.320 1.00 43.54 H new ATOM 0 HZ1 LYS A 64 -4.248 -4.807 9.510 1.00 10.23 H new ATOM 0 HZ2 LYS A 64 -2.665 -4.292 9.844 1.00 10.23 H new ATOM 0 HZ3 LYS A 64 -3.704 -4.723 11.116 1.00 10.23 H new ATOM 1072 N CYS A 65 -0.804 0.233 10.680 1.00 72.54 N ATOM 1073 CA CYS A 65 0.272 -0.377 9.933 1.00 40.40 C ATOM 1074 C CYS A 65 1.592 0.336 10.303 1.00 60.01 C ATOM 1075 O CYS A 65 2.584 -0.311 10.644 1.00 0.02 O ATOM 1076 CB CYS A 65 -0.020 -0.297 8.411 1.00 50.34 C ATOM 1077 SG CYS A 65 1.246 -1.037 7.318 1.00 25.43 S ATOM 0 H CYS A 65 -1.319 0.944 10.160 1.00 72.54 H new ATOM 0 HA CYS A 65 0.361 -1.433 10.186 1.00 40.40 H new ATOM 0 HB2 CYS A 65 -0.973 -0.789 8.217 1.00 50.34 H new ATOM 0 HB3 CYS A 65 -0.141 0.751 8.138 1.00 50.34 H new ATOM 1082 N LEU A 66 1.534 1.672 10.308 1.00 70.12 N ATOM 1083 CA LEU A 66 2.652 2.567 10.585 1.00 13.04 C ATOM 1084 C LEU A 66 3.211 2.327 12.006 1.00 30.51 C ATOM 1085 O LEU A 66 4.410 2.076 12.174 1.00 14.30 O ATOM 1086 CB LEU A 66 2.104 4.017 10.444 1.00 74.51 C ATOM 1087 CG LEU A 66 3.059 5.236 10.408 1.00 1.53 C ATOM 1088 CD1 LEU A 66 2.229 6.471 10.258 1.00 1.34 C ATOM 1089 CD2 LEU A 66 3.915 5.356 11.648 1.00 4.04 C ATOM 0 H LEU A 66 0.669 2.175 10.110 1.00 70.12 H new ATOM 0 HA LEU A 66 3.474 2.390 9.891 1.00 13.04 H new ATOM 0 HB2 LEU A 66 1.515 4.047 9.527 1.00 74.51 H new ATOM 0 HB3 LEU A 66 1.413 4.178 11.272 1.00 74.51 H new ATOM 0 HG LEU A 66 3.742 5.103 9.569 1.00 1.53 H new ATOM 0 HD11 LEU A 66 2.879 7.345 10.230 1.00 1.34 H new ATOM 0 HD12 LEU A 66 1.657 6.415 9.332 1.00 1.34 H new ATOM 0 HD13 LEU A 66 1.545 6.555 11.103 1.00 1.34 H new ATOM 0 HD21 LEU A 66 4.561 6.229 11.561 1.00 4.04 H new ATOM 0 HD22 LEU A 66 3.274 5.465 12.523 1.00 4.04 H new ATOM 0 HD23 LEU A 66 4.527 4.461 11.756 1.00 4.04 H new ATOM 1101 N ASN A 67 2.346 2.422 13.017 1.00 12.23 N ATOM 1102 CA ASN A 67 2.789 2.280 14.412 1.00 3.12 C ATOM 1103 C ASN A 67 1.649 1.932 15.331 1.00 43.21 C ATOM 1104 O ASN A 67 1.824 1.223 16.324 1.00 24.23 O ATOM 1105 CB ASN A 67 3.426 3.535 14.906 1.00 51.35 C ATOM 1106 CG ASN A 67 4.212 3.224 16.136 1.00 71.43 C ATOM 1107 OD1 ASN A 67 4.799 2.131 16.265 1.00 0.23 O ATOM 1108 ND2 ASN A 67 4.195 4.082 17.038 1.00 31.42 N ATOM 0 H ASN A 67 1.347 2.594 12.903 1.00 12.23 H new ATOM 0 HA ASN A 67 3.515 1.467 14.420 1.00 3.12 H new ATOM 0 HB2 ASN A 67 4.076 3.955 14.139 1.00 51.35 H new ATOM 0 HB3 ASN A 67 2.665 4.284 15.124 1.00 51.35 H new ATOM 0 HD21 ASN A 67 4.673 3.903 17.921 1.00 31.42 H new ATOM 0 HD22 ASN A 67 3.704 4.964 16.894 1.00 31.42 H new ATOM 1404 N GLY B 119 -13.743 6.496 -10.959 1.00 40.42 N ATOM 1405 CA GLY B 119 -14.037 6.538 -9.551 1.00 25.34 C ATOM 1406 C GLY B 119 -15.493 6.796 -9.310 1.00 24.41 C ATOM 1407 O GLY B 119 -16.096 7.625 -9.984 1.00 55.20 O ATOM 0 HA2 GLY B 119 -13.751 5.593 -9.089 1.00 25.34 H new ATOM 0 HA3 GLY B 119 -13.443 7.319 -9.076 1.00 25.34 H new ATOM 1411 N ASP B 120 -16.055 6.080 -8.385 1.00 62.15 N ATOM 1412 CA ASP B 120 -17.447 6.203 -8.019 1.00 72.41 C ATOM 1413 C ASP B 120 -17.545 5.980 -6.490 1.00 21.23 C ATOM 1414 O ASP B 120 -16.540 6.156 -5.792 1.00 2.43 O ATOM 1415 CB ASP B 120 -18.232 5.147 -8.779 1.00 0.23 C ATOM 1416 CG ASP B 120 -19.738 5.309 -8.705 1.00 25.42 C ATOM 1417 OD1 ASP B 120 -20.285 6.158 -9.418 1.00 1.24 O ATOM 1418 OD2 ASP B 120 -20.393 4.587 -7.918 1.00 5.43 O ATOM 0 H ASP B 120 -15.553 5.375 -7.846 1.00 62.15 H new ATOM 0 HA ASP B 120 -17.854 7.183 -8.267 1.00 72.41 H new ATOM 0 HB2 ASP B 120 -17.928 5.169 -9.825 1.00 0.23 H new ATOM 0 HB3 ASP B 120 -17.965 4.164 -8.390 1.00 0.23 H new ATOM 1447 N ASP B 122 -19.350 7.827 -4.378 1.00 31.22 N ATOM 1448 CA ASP B 122 -19.165 9.237 -4.028 1.00 43.45 C ATOM 1449 C ASP B 122 -17.902 9.766 -4.626 1.00 71.13 C ATOM 1450 O ASP B 122 -17.904 10.798 -5.309 1.00 13.40 O ATOM 1451 CB ASP B 122 -19.195 9.500 -2.546 1.00 23.13 C ATOM 1452 CG ASP B 122 -20.558 9.336 -1.927 1.00 11.43 C ATOM 1453 OD1 ASP B 122 -20.910 8.209 -1.523 1.00 63.01 O ATOM 1454 OD2 ASP B 122 -21.302 10.331 -1.815 1.00 45.31 O ATOM 0 HA ASP B 122 -20.019 9.767 -4.450 1.00 43.45 H new ATOM 0 HB2 ASP B 122 -18.498 8.823 -2.052 1.00 23.13 H new ATOM 0 HB3 ASP B 122 -18.841 10.514 -2.359 1.00 23.13 H new ATOM 1459 N SER B 123 -16.817 9.064 -4.352 1.00 12.30 N ATOM 1460 CA SER B 123 -15.541 9.327 -4.924 1.00 21.32 C ATOM 1461 C SER B 123 -14.999 10.725 -4.501 1.00 14.43 C ATOM 1462 O SER B 123 -14.173 11.323 -5.181 1.00 63.33 O ATOM 1463 CB SER B 123 -15.663 9.123 -6.467 1.00 0.15 C ATOM 1464 OG SER B 123 -14.458 9.388 -7.169 1.00 4.31 O ATOM 0 H SER B 123 -16.816 8.276 -3.705 1.00 12.30 H new ATOM 0 HA SER B 123 -14.791 8.631 -4.548 1.00 21.32 H new ATOM 0 HB2 SER B 123 -15.973 8.097 -6.667 1.00 0.15 H new ATOM 0 HB3 SER B 123 -16.449 9.774 -6.851 1.00 0.15 H new ATOM 0 HG SER B 123 -13.693 9.237 -6.575 1.00 4.31 H new ATOM 1470 N MET B 124 -15.445 11.203 -3.340 1.00 50.04 N ATOM 1471 CA MET B 124 -14.996 12.483 -2.803 1.00 62.43 C ATOM 1472 C MET B 124 -15.083 12.484 -1.277 1.00 10.42 C ATOM 1473 O MET B 124 -16.176 12.396 -0.724 1.00 64.10 O ATOM 1474 CB MET B 124 -15.858 13.625 -3.350 1.00 61.05 C ATOM 1475 CG MET B 124 -15.439 14.999 -2.855 1.00 52.50 C ATOM 1476 SD MET B 124 -16.546 16.320 -3.402 1.00 63.10 S ATOM 1477 CE MET B 124 -18.078 15.837 -2.599 1.00 44.43 C ATOM 0 H MET B 124 -16.122 10.718 -2.751 1.00 50.04 H new ATOM 0 HA MET B 124 -13.960 12.630 -3.108 1.00 62.43 H new ATOM 0 HB2 MET B 124 -15.814 13.612 -4.439 1.00 61.05 H new ATOM 0 HB3 MET B 124 -16.897 13.450 -3.071 1.00 61.05 H new ATOM 0 HG2 MET B 124 -15.404 14.991 -1.766 1.00 52.50 H new ATOM 0 HG3 MET B 124 -14.429 15.212 -3.205 1.00 52.50 H new ATOM 0 HE1 MET B 124 -18.736 16.703 -2.520 1.00 44.43 H new ATOM 0 HE2 MET B 124 -18.568 15.061 -3.187 1.00 44.43 H new ATOM 0 HE3 MET B 124 -17.861 15.454 -1.602 1.00 44.43 H new ATOM 1487 N LYS B 125 -13.942 12.562 -0.611 1.00 64.31 N ATOM 1488 CA LYS B 125 -13.872 12.629 0.848 1.00 21.41 C ATOM 1489 C LYS B 125 -12.686 13.444 1.331 1.00 53.21 C ATOM 1490 O LYS B 125 -11.968 14.069 0.545 1.00 74.41 O ATOM 1491 CB LYS B 125 -13.863 11.232 1.503 1.00 35.01 C ATOM 1492 CG LYS B 125 -15.217 10.647 1.786 1.00 0.34 C ATOM 1493 CD LYS B 125 -15.951 11.487 2.816 1.00 22.13 C ATOM 1494 CE LYS B 125 -17.234 10.832 3.203 1.00 25.42 C ATOM 1495 NZ LYS B 125 -17.984 11.606 4.211 1.00 61.35 N ATOM 0 H LYS B 125 -13.030 12.581 -1.067 1.00 64.31 H new ATOM 0 HA LYS B 125 -14.783 13.139 1.162 1.00 21.41 H new ATOM 0 HB2 LYS B 125 -13.318 10.547 0.853 1.00 35.01 H new ATOM 0 HB3 LYS B 125 -13.308 11.291 2.439 1.00 35.01 H new ATOM 0 HG2 LYS B 125 -15.799 10.598 0.866 1.00 0.34 H new ATOM 0 HG3 LYS B 125 -15.110 9.625 2.150 1.00 0.34 H new ATOM 0 HD2 LYS B 125 -15.324 11.622 3.697 1.00 22.13 H new ATOM 0 HD3 LYS B 125 -16.150 12.479 2.411 1.00 22.13 H new ATOM 0 HE2 LYS B 125 -17.853 10.702 2.316 1.00 25.42 H new ATOM 0 HE3 LYS B 125 -17.026 9.837 3.595 1.00 25.42 H new ATOM 0 HZ1 LYS B 125 -18.866 11.108 4.445 1.00 61.35 H new ATOM 0 HZ2 LYS B 125 -17.406 11.709 5.070 1.00 61.35 H new ATOM 0 HZ3 LYS B 125 -18.208 12.547 3.830 1.00 61.35 H new ATOM 1509 N GLU B 126 -12.509 13.439 2.627 1.00 72.41 N ATOM 1510 CA GLU B 126 -11.457 14.143 3.310 1.00 33.30 C ATOM 1511 C GLU B 126 -10.925 13.193 4.392 1.00 21.13 C ATOM 1512 O GLU B 126 -11.568 12.164 4.636 1.00 13.11 O ATOM 1513 CB GLU B 126 -12.046 15.421 3.932 1.00 64.53 C ATOM 1514 CG GLU B 126 -13.170 15.165 4.917 1.00 5.30 C ATOM 1515 CD GLU B 126 -13.696 16.426 5.523 1.00 21.43 C ATOM 1516 OE1 GLU B 126 -13.148 16.870 6.551 1.00 31.23 O ATOM 1517 OE2 GLU B 126 -14.667 16.987 4.999 1.00 62.12 O ATOM 0 H GLU B 126 -13.120 12.923 3.260 1.00 72.41 H new ATOM 0 HA GLU B 126 -10.648 14.436 2.641 1.00 33.30 H new ATOM 0 HB2 GLU B 126 -11.250 15.967 4.438 1.00 64.53 H new ATOM 0 HB3 GLU B 126 -12.416 16.065 3.134 1.00 64.53 H new ATOM 0 HG2 GLU B 126 -13.982 14.643 4.410 1.00 5.30 H new ATOM 0 HG3 GLU B 126 -12.813 14.506 5.709 1.00 5.30 H new ATOM 1524 N PRO B 127 -9.771 13.482 5.054 1.00 72.14 N ATOM 1525 CA PRO B 127 -9.229 12.598 6.082 1.00 55.41 C ATOM 1526 C PRO B 127 -10.116 12.542 7.310 1.00 32.24 C ATOM 1527 O PRO B 127 -11.079 13.315 7.452 1.00 33.02 O ATOM 1528 CB PRO B 127 -7.879 13.236 6.434 1.00 72.11 C ATOM 1529 CG PRO B 127 -8.052 14.655 6.087 1.00 12.54 C ATOM 1530 CD PRO B 127 -8.901 14.653 4.859 1.00 4.11 C ATOM 0 HA PRO B 127 -9.149 11.569 5.731 1.00 55.41 H new ATOM 0 HB2 PRO B 127 -7.642 13.110 7.490 1.00 72.11 H new ATOM 0 HB3 PRO B 127 -7.065 12.784 5.868 1.00 72.11 H new ATOM 0 HG2 PRO B 127 -8.532 15.204 6.897 1.00 12.54 H new ATOM 0 HG3 PRO B 127 -7.091 15.136 5.902 1.00 12.54 H new ATOM 0 HD2 PRO B 127 -9.478 15.573 4.767 1.00 4.11 H new ATOM 0 HD3 PRO B 127 -8.300 14.562 3.954 1.00 4.11 H new ATOM 1855 N CYS C 209 -0.304 -15.873 5.001 1.00 75.03 N ATOM 1856 CA CYS C 209 0.462 -14.691 4.727 1.00 11.52 C ATOM 1857 C CYS C 209 1.487 -15.052 3.655 1.00 60.44 C ATOM 1858 O CYS C 209 2.154 -16.090 3.765 1.00 65.45 O ATOM 1859 CB CYS C 209 1.135 -14.211 6.026 1.00 43.30 C ATOM 1860 SG CYS C 209 2.033 -12.644 5.929 1.00 44.44 S ATOM 0 HA CYS C 209 -0.164 -13.876 4.365 1.00 11.52 H new ATOM 0 HB2 CYS C 209 0.368 -14.119 6.795 1.00 43.30 H new ATOM 0 HB3 CYS C 209 1.829 -14.983 6.358 1.00 43.30 H new ATOM 1865 N PRO C 210 1.615 -14.219 2.603 1.00 61.35 N ATOM 1866 CA PRO C 210 2.483 -14.515 1.460 1.00 10.21 C ATOM 1867 C PRO C 210 3.984 -14.524 1.765 1.00 75.24 C ATOM 1868 O PRO C 210 4.612 -15.576 1.781 1.00 43.23 O ATOM 1869 CB PRO C 210 2.150 -13.411 0.443 1.00 22.54 C ATOM 1870 CG PRO C 210 1.568 -12.303 1.254 1.00 31.52 C ATOM 1871 CD PRO C 210 0.887 -12.951 2.424 1.00 15.12 C ATOM 0 HA PRO C 210 2.293 -15.529 1.108 1.00 10.21 H new ATOM 0 HB2 PRO C 210 3.042 -13.083 -0.090 1.00 22.54 H new ATOM 0 HB3 PRO C 210 1.443 -13.765 -0.307 1.00 22.54 H new ATOM 0 HG2 PRO C 210 2.345 -11.616 1.588 1.00 31.52 H new ATOM 0 HG3 PRO C 210 0.859 -11.721 0.665 1.00 31.52 H new ATOM 0 HD2 PRO C 210 0.946 -12.327 3.316 1.00 15.12 H new ATOM 0 HD3 PRO C 210 -0.171 -13.123 2.225 1.00 15.12 H new ATOM 1879 N CYS C 211 4.538 -13.368 2.043 1.00 11.44 N ATOM 1880 CA CYS C 211 5.968 -13.235 2.170 1.00 74.13 C ATOM 1881 C CYS C 211 6.418 -13.701 3.563 1.00 61.44 C ATOM 1882 O CYS C 211 5.616 -13.730 4.519 1.00 65.20 O ATOM 1883 CB CYS C 211 6.381 -11.770 1.888 1.00 53.41 C ATOM 1884 SG CYS C 211 8.163 -11.522 1.548 1.00 62.13 S ATOM 0 H CYS C 211 4.017 -12.503 2.186 1.00 11.44 H new ATOM 0 HA CYS C 211 6.466 -13.870 1.437 1.00 74.13 H new ATOM 0 HB2 CYS C 211 5.809 -11.405 1.035 1.00 53.41 H new ATOM 0 HB3 CYS C 211 6.101 -11.158 2.745 1.00 53.41 H new ATOM 1889 N ARG C 212 7.667 -14.109 3.675 1.00 12.20 N ATOM 1890 CA ARG C 212 8.201 -14.594 4.930 1.00 12.32 C ATOM 1891 C ARG C 212 9.217 -13.669 5.527 1.00 20.43 C ATOM 1892 O ARG C 212 8.997 -13.096 6.592 1.00 70.11 O ATOM 1893 CB ARG C 212 8.777 -16.005 4.777 1.00 33.43 C ATOM 1894 CG ARG C 212 7.743 -17.107 4.587 1.00 42.24 C ATOM 1895 CD ARG C 212 6.875 -17.274 5.837 1.00 33.20 C ATOM 1896 NE ARG C 212 6.019 -16.097 6.114 1.00 31.54 N ATOM 1897 CZ ARG C 212 5.489 -15.784 7.300 1.00 75.13 C ATOM 1898 NH1 ARG C 212 5.664 -16.589 8.347 1.00 31.04 N ATOM 1899 NH2 ARG C 212 4.789 -14.650 7.432 1.00 14.25 N ATOM 0 H ARG C 212 8.335 -14.113 2.904 1.00 12.20 H new ATOM 0 HA ARG C 212 7.362 -14.632 5.625 1.00 12.32 H new ATOM 0 HB2 ARG C 212 9.455 -16.013 3.924 1.00 33.43 H new ATOM 0 HB3 ARG C 212 9.373 -16.235 5.660 1.00 33.43 H new ATOM 0 HG2 ARG C 212 7.111 -16.872 3.731 1.00 42.24 H new ATOM 0 HG3 ARG C 212 8.247 -18.047 4.363 1.00 42.24 H new ATOM 0 HD2 ARG C 212 6.244 -18.155 5.718 1.00 33.20 H new ATOM 0 HD3 ARG C 212 7.519 -17.457 6.697 1.00 33.20 H new ATOM 0 HE ARG C 212 5.817 -15.473 5.333 1.00 31.54 H new ATOM 0 HH11 ARG C 212 6.204 -17.448 8.245 1.00 31.04 H new ATOM 0 HH12 ARG C 212 5.258 -16.346 9.251 1.00 31.04 H new ATOM 0 HH21 ARG C 212 4.663 -14.032 6.630 1.00 14.25 H new ATOM 0 HH22 ARG C 212 4.381 -14.404 8.334 1.00 14.25 H new ATOM 1913 N PHE C 213 10.314 -13.529 4.862 1.00 23.00 N ATOM 1914 CA PHE C 213 11.380 -12.712 5.342 1.00 33.00 C ATOM 1915 C PHE C 213 11.287 -11.396 4.633 1.00 15.40 C ATOM 1916 O PHE C 213 11.197 -11.356 3.409 1.00 0.03 O ATOM 1917 CB PHE C 213 12.722 -13.412 5.069 1.00 22.04 C ATOM 1918 CG PHE C 213 12.796 -14.784 5.691 1.00 50.54 C ATOM 1919 CD1 PHE C 213 12.276 -15.892 5.028 1.00 22.25 C ATOM 1920 CD2 PHE C 213 13.357 -14.968 6.938 1.00 54.11 C ATOM 1921 CE1 PHE C 213 12.316 -17.144 5.599 1.00 13.13 C ATOM 1922 CE2 PHE C 213 13.401 -16.223 7.517 1.00 20.43 C ATOM 1923 CZ PHE C 213 12.879 -17.312 6.845 1.00 1.13 C ATOM 0 H PHE C 213 10.499 -13.980 3.966 1.00 23.00 H new ATOM 0 HA PHE C 213 11.311 -12.549 6.418 1.00 33.00 H new ATOM 0 HB2 PHE C 213 12.872 -13.496 3.993 1.00 22.04 H new ATOM 0 HB3 PHE C 213 13.534 -12.797 5.456 1.00 22.04 H new ATOM 0 HD1 PHE C 213 11.834 -15.768 4.050 1.00 22.25 H new ATOM 0 HD2 PHE C 213 13.767 -14.121 7.469 1.00 54.11 H new ATOM 0 HE1 PHE C 213 11.907 -17.993 5.071 1.00 13.13 H new ATOM 0 HE2 PHE C 213 13.843 -16.352 8.494 1.00 20.43 H new ATOM 0 HZ PHE C 213 12.912 -18.293 7.296 1.00 1.13 H new ATOM 1933 N PHE C 214 11.307 -10.330 5.373 1.00 74.13 N ATOM 1934 CA PHE C 214 11.064 -9.043 4.792 1.00 71.44 C ATOM 1935 C PHE C 214 12.174 -8.049 5.029 1.00 73.41 C ATOM 1936 O PHE C 214 12.868 -8.094 6.050 1.00 23.41 O ATOM 1937 CB PHE C 214 9.692 -8.483 5.241 1.00 75.23 C ATOM 1938 CG PHE C 214 9.465 -8.402 6.719 1.00 33.40 C ATOM 1939 CD1 PHE C 214 9.878 -7.299 7.436 1.00 2.22 C ATOM 1940 CD2 PHE C 214 8.819 -9.430 7.389 1.00 55.34 C ATOM 1941 CE1 PHE C 214 9.659 -7.222 8.789 1.00 43.04 C ATOM 1942 CE2 PHE C 214 8.595 -9.352 8.745 1.00 53.21 C ATOM 1943 CZ PHE C 214 9.017 -8.246 9.445 1.00 71.55 C ATOM 0 H PHE C 214 11.488 -10.324 6.377 1.00 74.13 H new ATOM 0 HA PHE C 214 11.040 -9.198 3.713 1.00 71.44 H new ATOM 0 HB2 PHE C 214 9.575 -7.484 4.821 1.00 75.23 H new ATOM 0 HB3 PHE C 214 8.909 -9.105 4.807 1.00 75.23 H new ATOM 0 HD1 PHE C 214 10.379 -6.488 6.928 1.00 2.22 H new ATOM 0 HD2 PHE C 214 8.488 -10.300 6.842 1.00 55.34 H new ATOM 0 HE1 PHE C 214 9.992 -6.355 9.340 1.00 43.04 H new ATOM 0 HE2 PHE C 214 8.089 -10.157 9.258 1.00 53.21 H new ATOM 0 HZ PHE C 214 8.844 -8.182 10.509 1.00 71.55 H new ATOM 1953 N GLU C 215 12.335 -7.176 4.073 1.00 53.22 N ATOM 1954 CA GLU C 215 13.265 -6.099 4.118 1.00 1.14 C ATOM 1955 C GLU C 215 12.794 -5.044 5.098 1.00 61.22 C ATOM 1956 O GLU C 215 11.619 -4.689 5.138 1.00 53.12 O ATOM 1957 CB GLU C 215 13.398 -5.466 2.731 1.00 14.21 C ATOM 1958 CG GLU C 215 14.237 -6.229 1.701 1.00 53.41 C ATOM 1959 CD GLU C 215 13.848 -7.684 1.437 1.00 61.11 C ATOM 1960 OE1 GLU C 215 12.651 -7.985 1.298 1.00 20.25 O ATOM 1961 OE2 GLU C 215 14.759 -8.541 1.349 1.00 13.40 O ATOM 0 H GLU C 215 11.795 -7.203 3.208 1.00 53.22 H new ATOM 0 HA GLU C 215 14.231 -6.488 4.439 1.00 1.14 H new ATOM 0 HB2 GLU C 215 12.397 -5.332 2.321 1.00 14.21 H new ATOM 0 HB3 GLU C 215 13.829 -4.472 2.851 1.00 14.21 H new ATOM 0 HG2 GLU C 215 14.190 -5.688 0.756 1.00 53.41 H new ATOM 0 HG3 GLU C 215 15.277 -6.209 2.028 1.00 53.41 H new ATOM 1968 N SER C 216 13.690 -4.559 5.892 1.00 65.45 N ATOM 1969 CA SER C 216 13.359 -3.509 6.815 1.00 12.13 C ATOM 1970 C SER C 216 14.165 -2.267 6.487 1.00 12.43 C ATOM 1971 O SER C 216 14.166 -1.291 7.219 1.00 14.25 O ATOM 1972 CB SER C 216 13.562 -3.972 8.233 1.00 42.24 C ATOM 1973 OG SER C 216 12.755 -5.113 8.491 1.00 42.14 O ATOM 0 H SER C 216 14.661 -4.869 5.925 1.00 65.45 H new ATOM 0 HA SER C 216 12.305 -3.251 6.717 1.00 12.13 H new ATOM 0 HB2 SER C 216 14.612 -4.214 8.399 1.00 42.24 H new ATOM 0 HB3 SER C 216 13.306 -3.171 8.926 1.00 42.24 H new ATOM 0 HG SER C 216 12.769 -5.314 9.450 1.00 42.14 H new ATOM 1979 N HIS C 217 14.853 -2.349 5.374 1.00 54.52 N ATOM 1980 CA HIS C 217 15.589 -1.274 4.747 1.00 21.10 C ATOM 1981 C HIS C 217 15.614 -1.588 3.291 1.00 71.43 C ATOM 1982 O HIS C 217 15.613 -2.750 2.936 1.00 62.22 O ATOM 1983 CB HIS C 217 17.042 -1.104 5.270 1.00 44.11 C ATOM 1984 CG HIS C 217 17.176 -0.473 6.628 1.00 42.13 C ATOM 1985 ND1 HIS C 217 17.474 0.855 6.810 1.00 0.23 N ATOM 1986 CD2 HIS C 217 17.077 -0.998 7.869 1.00 63.25 C ATOM 1987 CE1 HIS C 217 17.552 1.117 8.096 1.00 74.13 C ATOM 1988 NE2 HIS C 217 17.315 0.008 8.762 1.00 13.10 N ATOM 0 H HIS C 217 14.919 -3.221 4.849 1.00 54.52 H new ATOM 0 HA HIS C 217 15.094 -0.331 4.978 1.00 21.10 H new ATOM 0 HB2 HIS C 217 17.516 -2.085 5.297 1.00 44.11 H new ATOM 0 HB3 HIS C 217 17.599 -0.501 4.553 1.00 44.11 H new ATOM 0 HD2 HIS C 217 16.851 -2.026 8.111 1.00 63.25 H new ATOM 0 HE1 HIS C 217 17.773 2.080 8.532 1.00 74.13 H new ATOM 0 HE2 HIS C 217 17.310 -0.086 9.778 1.00 13.10 H new ATOM 1997 N VAL C 218 15.581 -0.580 2.472 1.00 52.10 N ATOM 1998 CA VAL C 218 15.596 -0.722 1.023 1.00 33.12 C ATOM 1999 C VAL C 218 15.455 0.681 0.451 1.00 23.43 C ATOM 2000 O VAL C 218 15.047 1.599 1.183 1.00 4.23 O ATOM 2001 CB VAL C 218 14.457 -1.695 0.504 1.00 55.33 C ATOM 2002 CG1 VAL C 218 13.071 -1.182 0.798 1.00 33.13 C ATOM 2003 CG2 VAL C 218 14.614 -2.060 -0.969 1.00 63.23 C ATOM 0 H VAL C 218 15.542 0.390 2.786 1.00 52.10 H new ATOM 0 HA VAL C 218 16.527 -1.182 0.692 1.00 33.12 H new ATOM 0 HB VAL C 218 14.584 -2.615 1.074 1.00 55.33 H new ATOM 0 HG11 VAL C 218 12.333 -1.890 0.420 1.00 33.13 H new ATOM 0 HG12 VAL C 218 12.946 -1.068 1.875 1.00 33.13 H new ATOM 0 HG13 VAL C 218 12.930 -0.216 0.312 1.00 33.13 H new ATOM 0 HG21 VAL C 218 13.806 -2.728 -1.267 1.00 63.23 H new ATOM 0 HG22 VAL C 218 14.578 -1.154 -1.574 1.00 63.23 H new ATOM 0 HG23 VAL C 218 15.571 -2.559 -1.120 1.00 63.23 H new ATOM 2013 N ALA C 219 15.793 0.874 -0.800 1.00 14.00 N ATOM 2014 CA ALA C 219 15.786 2.190 -1.362 1.00 11.55 C ATOM 2015 C ALA C 219 14.417 2.572 -1.820 1.00 30.10 C ATOM 2016 O ALA C 219 13.813 1.893 -2.656 1.00 2.53 O ATOM 2017 CB ALA C 219 16.786 2.304 -2.492 1.00 5.41 C ATOM 0 H ALA C 219 16.075 0.134 -1.443 1.00 14.00 H new ATOM 0 HA ALA C 219 16.084 2.887 -0.579 1.00 11.55 H new ATOM 0 HB1 ALA C 219 16.760 3.314 -2.901 1.00 5.41 H new ATOM 0 HB2 ALA C 219 17.786 2.091 -2.115 1.00 5.41 H new ATOM 0 HB3 ALA C 219 16.533 1.589 -3.275 1.00 5.41 H new ATOM 2023 N ARG C 220 13.930 3.676 -1.292 1.00 71.24 N ATOM 2024 CA ARG C 220 12.622 4.188 -1.641 1.00 32.32 C ATOM 2025 C ARG C 220 12.656 4.651 -3.114 1.00 61.24 C ATOM 2026 O ARG C 220 11.636 4.784 -3.772 1.00 53.44 O ATOM 2027 CB ARG C 220 12.252 5.327 -0.632 1.00 42.51 C ATOM 2028 CG ARG C 220 10.797 5.843 -0.639 1.00 33.52 C ATOM 2029 CD ARG C 220 10.427 6.659 -1.836 1.00 32.21 C ATOM 2030 NE ARG C 220 11.098 7.951 -1.857 1.00 23.01 N ATOM 2031 CZ ARG C 220 11.774 8.464 -2.877 1.00 33.45 C ATOM 2032 NH1 ARG C 220 12.073 7.733 -3.932 1.00 5.15 N ATOM 2033 NH2 ARG C 220 12.185 9.693 -2.810 1.00 2.22 N ATOM 0 H ARG C 220 14.431 4.244 -0.608 1.00 71.24 H new ATOM 0 HA ARG C 220 11.844 3.428 -1.564 1.00 32.32 H new ATOM 0 HB2 ARG C 220 12.478 4.972 0.373 1.00 42.51 H new ATOM 0 HB3 ARG C 220 12.910 6.174 -0.826 1.00 42.51 H new ATOM 0 HG2 ARG C 220 10.123 4.989 -0.577 1.00 33.52 H new ATOM 0 HG3 ARG C 220 10.635 6.443 0.256 1.00 33.52 H new ATOM 0 HD2 ARG C 220 10.680 6.107 -2.741 1.00 32.21 H new ATOM 0 HD3 ARG C 220 9.348 6.813 -1.848 1.00 32.21 H new ATOM 0 HE ARG C 220 11.043 8.514 -1.008 1.00 23.01 H new ATOM 0 HH11 ARG C 220 11.784 6.756 -3.974 1.00 5.15 H new ATOM 0 HH12 ARG C 220 12.593 8.145 -4.707 1.00 5.15 H new ATOM 0 HH21 ARG C 220 11.987 10.252 -1.980 1.00 2.22 H new ATOM 0 HH22 ARG C 220 12.706 10.100 -3.587 1.00 2.22 H new ATOM 2047 N ALA C 221 13.844 4.910 -3.610 1.00 21.23 N ATOM 2048 CA ALA C 221 14.026 5.277 -5.000 1.00 75.24 C ATOM 2049 C ALA C 221 14.104 4.054 -5.926 1.00 10.15 C ATOM 2050 O ALA C 221 13.999 4.185 -7.141 1.00 33.22 O ATOM 2051 CB ALA C 221 15.253 6.134 -5.166 1.00 2.11 C ATOM 0 H ALA C 221 14.707 4.873 -3.068 1.00 21.23 H new ATOM 0 HA ALA C 221 13.145 5.849 -5.293 1.00 75.24 H new ATOM 0 HB1 ALA C 221 15.372 6.399 -6.217 1.00 2.11 H new ATOM 0 HB2 ALA C 221 15.146 7.042 -4.573 1.00 2.11 H new ATOM 0 HB3 ALA C 221 16.131 5.582 -4.829 1.00 2.11 H new ATOM 2057 N ASN C 222 14.286 2.871 -5.352 1.00 73.15 N ATOM 2058 CA ASN C 222 14.509 1.659 -6.159 1.00 63.52 C ATOM 2059 C ASN C 222 13.219 0.846 -6.309 1.00 52.14 C ATOM 2060 O ASN C 222 13.163 -0.126 -7.051 1.00 21.32 O ATOM 2061 CB ASN C 222 15.645 0.814 -5.542 1.00 33.25 C ATOM 2062 CG ASN C 222 16.070 -0.391 -6.377 1.00 15.30 C ATOM 2063 OD1 ASN C 222 15.983 -0.390 -7.607 1.00 4.53 O ATOM 2064 ND2 ASN C 222 16.557 -1.414 -5.716 1.00 3.11 N ATOM 0 H ASN C 222 14.285 2.717 -4.344 1.00 73.15 H new ATOM 0 HA ASN C 222 14.813 1.960 -7.161 1.00 63.52 H new ATOM 0 HB2 ASN C 222 16.513 1.455 -5.386 1.00 33.25 H new ATOM 0 HB3 ASN C 222 15.327 0.464 -4.560 1.00 33.25 H new ATOM 0 HD21 ASN C 222 16.878 -2.241 -6.220 1.00 3.11 H new ATOM 0 HD22 ASN C 222 16.615 -1.383 -4.698 1.00 3.11 H new ATOM 2071 N VAL C 223 12.201 1.253 -5.616 1.00 54.12 N ATOM 2072 CA VAL C 223 10.899 0.607 -5.711 1.00 2.12 C ATOM 2073 C VAL C 223 9.999 1.314 -6.749 1.00 73.43 C ATOM 2074 O VAL C 223 10.083 2.529 -6.934 1.00 70.44 O ATOM 2075 CB VAL C 223 10.183 0.600 -4.338 1.00 40.41 C ATOM 2076 CG1 VAL C 223 10.950 -0.271 -3.351 1.00 74.24 C ATOM 2077 CG2 VAL C 223 10.078 2.022 -3.796 1.00 42.43 C ATOM 0 H VAL C 223 12.234 2.039 -4.966 1.00 54.12 H new ATOM 0 HA VAL C 223 11.072 -0.420 -6.032 1.00 2.12 H new ATOM 0 HB VAL C 223 9.181 0.192 -4.468 1.00 40.41 H new ATOM 0 HG11 VAL C 223 10.438 -0.269 -2.389 1.00 74.24 H new ATOM 0 HG12 VAL C 223 11.003 -1.291 -3.731 1.00 74.24 H new ATOM 0 HG13 VAL C 223 11.959 0.123 -3.226 1.00 74.24 H new ATOM 0 HG21 VAL C 223 9.573 2.007 -2.830 1.00 42.43 H new ATOM 0 HG22 VAL C 223 11.077 2.441 -3.676 1.00 42.43 H new ATOM 0 HG23 VAL C 223 9.508 2.636 -4.494 1.00 42.43 H new ATOM 2087 N LYS C 224 9.170 0.532 -7.440 1.00 42.43 N ATOM 2088 CA LYS C 224 8.261 1.068 -8.455 1.00 23.44 C ATOM 2089 C LYS C 224 6.854 1.218 -7.925 1.00 61.53 C ATOM 2090 O LYS C 224 6.031 1.874 -8.544 1.00 70.01 O ATOM 2091 CB LYS C 224 8.239 0.198 -9.699 1.00 2.34 C ATOM 2092 CG LYS C 224 9.586 0.036 -10.301 1.00 33.13 C ATOM 2093 CD LYS C 224 9.558 -0.691 -11.636 1.00 65.53 C ATOM 2094 CE LYS C 224 9.100 -2.137 -11.529 1.00 73.31 C ATOM 2095 NZ LYS C 224 9.143 -2.820 -12.849 1.00 32.51 N ATOM 0 H LYS C 224 9.109 -0.478 -7.315 1.00 42.43 H new ATOM 0 HA LYS C 224 8.643 2.054 -8.719 1.00 23.44 H new ATOM 0 HB2 LYS C 224 7.837 -0.783 -9.446 1.00 2.34 H new ATOM 0 HB3 LYS C 224 7.566 0.638 -10.435 1.00 2.34 H new ATOM 0 HG2 LYS C 224 10.037 1.019 -10.438 1.00 33.13 H new ATOM 0 HG3 LYS C 224 10.224 -0.513 -9.608 1.00 33.13 H new ATOM 0 HD2 LYS C 224 8.895 -0.158 -12.317 1.00 65.53 H new ATOM 0 HD3 LYS C 224 10.555 -0.665 -12.076 1.00 65.53 H new ATOM 0 HE2 LYS C 224 9.735 -2.670 -10.821 1.00 73.31 H new ATOM 0 HE3 LYS C 224 8.085 -2.170 -11.134 1.00 73.31 H new ATOM 0 HZ1 LYS C 224 8.825 -3.804 -12.741 1.00 32.51 H new ATOM 0 HZ2 LYS C 224 8.518 -2.325 -13.517 1.00 32.51 H new ATOM 0 HZ3 LYS C 224 10.117 -2.809 -13.214 1.00 32.51 H new ATOM 2109 N HIS C 225 6.563 0.537 -6.822 1.00 72.43 N ATOM 2110 CA HIS C 225 5.280 0.715 -6.088 1.00 61.22 C ATOM 2111 C HIS C 225 5.241 -0.133 -4.854 1.00 11.50 C ATOM 2112 O HIS C 225 6.053 -1.045 -4.701 1.00 60.03 O ATOM 2113 CB HIS C 225 3.989 0.447 -6.931 1.00 62.43 C ATOM 2114 CG HIS C 225 3.582 -0.995 -7.185 1.00 1.51 C ATOM 2115 ND1 HIS C 225 3.206 -1.980 -6.328 1.00 34.12 N flip ATOM 2116 CD2 HIS C 225 3.411 -1.519 -8.434 1.00 72.23 C flip ATOM 2117 CE1 HIS C 225 2.819 -3.047 -7.068 1.00 53.14 C flip ATOM 2118 NE2 HIS C 225 2.945 -2.743 -8.333 1.00 34.23 N flip ATOM 0 H HIS C 225 7.190 -0.150 -6.402 1.00 72.43 H new ATOM 0 HA HIS C 225 5.267 1.774 -5.831 1.00 61.22 H new ATOM 0 HB2 HIS C 225 3.157 0.945 -6.433 1.00 62.43 H new ATOM 0 HB3 HIS C 225 4.117 0.932 -7.899 1.00 62.43 H new ATOM 0 HD2 HIS C 225 3.625 -1.007 -9.360 1.00 72.23 H new ATOM 0 HE1 HIS C 225 2.466 -3.990 -6.678 1.00 53.14 H new ATOM 0 HE2 HIS C 225 2.718 -3.357 -9.115 1.00 34.23 H new ATOM 2127 N LEU C 226 4.248 0.122 -4.022 1.00 12.44 N ATOM 2128 CA LEU C 226 4.003 -0.651 -2.823 1.00 45.51 C ATOM 2129 C LEU C 226 2.643 -1.313 -2.954 1.00 41.43 C ATOM 2130 O LEU C 226 1.749 -0.761 -3.552 1.00 72.43 O ATOM 2131 CB LEU C 226 3.995 0.235 -1.541 1.00 1.41 C ATOM 2132 CG LEU C 226 5.319 0.873 -1.047 1.00 63.41 C ATOM 2133 CD1 LEU C 226 5.898 1.865 -2.041 1.00 0.23 C ATOM 2134 CD2 LEU C 226 5.097 1.548 0.299 1.00 41.52 C ATOM 0 H LEU C 226 3.582 0.881 -4.164 1.00 12.44 H new ATOM 0 HA LEU C 226 4.805 -1.382 -2.722 1.00 45.51 H new ATOM 0 HB2 LEU C 226 3.284 1.044 -1.708 1.00 1.41 H new ATOM 0 HB3 LEU C 226 3.601 -0.373 -0.726 1.00 1.41 H new ATOM 0 HG LEU C 226 6.046 0.068 -0.943 1.00 63.41 H new ATOM 0 HD11 LEU C 226 6.824 2.280 -1.643 1.00 0.23 H new ATOM 0 HD12 LEU C 226 6.103 1.358 -2.984 1.00 0.23 H new ATOM 0 HD13 LEU C 226 5.183 2.670 -2.210 1.00 0.23 H new ATOM 0 HD21 LEU C 226 6.031 1.994 0.641 1.00 41.52 H new ATOM 0 HD22 LEU C 226 4.340 2.325 0.196 1.00 41.52 H new ATOM 0 HD23 LEU C 226 4.761 0.808 1.026 1.00 41.52 H new ATOM 2146 N LYS C 227 2.503 -2.492 -2.459 1.00 74.43 N ATOM 2147 CA LYS C 227 1.218 -3.150 -2.442 1.00 44.13 C ATOM 2148 C LYS C 227 1.054 -3.844 -1.127 1.00 3.22 C ATOM 2149 O LYS C 227 1.839 -4.711 -0.782 1.00 23.54 O ATOM 2150 CB LYS C 227 1.025 -4.109 -3.642 1.00 4.23 C ATOM 2151 CG LYS C 227 -0.332 -4.826 -3.643 1.00 14.12 C ATOM 2152 CD LYS C 227 -0.596 -5.633 -4.920 1.00 15.03 C ATOM 2153 CE LYS C 227 0.495 -6.637 -5.214 1.00 43.42 C ATOM 2154 NZ LYS C 227 0.188 -7.446 -6.410 1.00 62.24 N ATOM 0 H LYS C 227 3.264 -3.036 -2.053 1.00 74.43 H new ATOM 0 HA LYS C 227 0.435 -2.400 -2.552 1.00 44.13 H new ATOM 0 HB2 LYS C 227 1.129 -3.544 -4.568 1.00 4.23 H new ATOM 0 HB3 LYS C 227 1.820 -4.854 -3.632 1.00 4.23 H new ATOM 0 HG2 LYS C 227 -0.382 -5.494 -2.783 1.00 14.12 H new ATOM 0 HG3 LYS C 227 -1.124 -4.088 -3.519 1.00 14.12 H new ATOM 0 HD2 LYS C 227 -1.548 -6.155 -4.824 1.00 15.03 H new ATOM 0 HD3 LYS C 227 -0.691 -4.949 -5.763 1.00 15.03 H new ATOM 0 HE2 LYS C 227 1.440 -6.114 -5.362 1.00 43.42 H new ATOM 0 HE3 LYS C 227 0.625 -7.294 -4.354 1.00 43.42 H new ATOM 0 HZ1 LYS C 227 0.960 -8.123 -6.579 1.00 62.24 H new ATOM 0 HZ2 LYS C 227 -0.701 -7.965 -6.259 1.00 62.24 H new ATOM 0 HZ3 LYS C 227 0.089 -6.821 -7.236 1.00 62.24 H new ATOM 2168 N ILE C 228 0.056 -3.454 -0.404 1.00 20.34 N ATOM 2169 CA ILE C 228 -0.137 -3.926 0.926 1.00 54.55 C ATOM 2170 C ILE C 228 -1.251 -4.959 0.967 1.00 63.25 C ATOM 2171 O ILE C 228 -2.383 -4.713 0.494 1.00 31.14 O ATOM 2172 CB ILE C 228 -0.482 -2.754 1.889 1.00 24.24 C ATOM 2173 CG1 ILE C 228 0.539 -1.619 1.733 1.00 61.45 C ATOM 2174 CG2 ILE C 228 -0.485 -3.244 3.332 1.00 41.04 C ATOM 2175 CD1 ILE C 228 0.296 -0.431 2.649 1.00 61.22 C ATOM 0 H ILE C 228 -0.653 -2.794 -0.723 1.00 20.34 H new ATOM 0 HA ILE C 228 0.795 -4.387 1.253 1.00 54.55 H new ATOM 0 HB ILE C 228 -1.473 -2.378 1.636 1.00 24.24 H new ATOM 0 HG12 ILE C 228 1.536 -2.014 1.926 1.00 61.45 H new ATOM 0 HG13 ILE C 228 0.527 -1.274 0.699 1.00 61.45 H new ATOM 0 HG21 ILE C 228 -0.728 -2.415 3.997 1.00 41.04 H new ATOM 0 HG22 ILE C 228 -1.229 -4.032 3.447 1.00 41.04 H new ATOM 0 HG23 ILE C 228 0.500 -3.636 3.585 1.00 41.04 H new ATOM 0 HD11 ILE C 228 1.061 0.325 2.475 1.00 61.22 H new ATOM 0 HD12 ILE C 228 -0.687 -0.007 2.442 1.00 61.22 H new ATOM 0 HD13 ILE C 228 0.339 -0.758 3.688 1.00 61.22 H new ATOM 2187 N LEU C 229 -0.919 -6.113 1.486 1.00 13.14 N ATOM 2188 CA LEU C 229 -1.863 -7.167 1.696 1.00 64.51 C ATOM 2189 C LEU C 229 -1.948 -7.481 3.170 1.00 3.43 C ATOM 2190 O LEU C 229 -1.063 -8.128 3.737 1.00 24.24 O ATOM 2191 CB LEU C 229 -1.554 -8.468 0.901 1.00 3.20 C ATOM 2192 CG LEU C 229 -1.723 -8.448 -0.635 1.00 72.22 C ATOM 2193 CD1 LEU C 229 -0.688 -7.585 -1.334 1.00 43.54 C ATOM 2194 CD2 LEU C 229 -1.718 -9.856 -1.192 1.00 44.41 C ATOM 0 H LEU C 229 0.031 -6.345 1.777 1.00 13.14 H new ATOM 0 HA LEU C 229 -2.817 -6.801 1.317 1.00 64.51 H new ATOM 0 HB2 LEU C 229 -0.525 -8.753 1.118 1.00 3.20 H new ATOM 0 HB3 LEU C 229 -2.193 -9.258 1.295 1.00 3.20 H new ATOM 0 HG LEU C 229 -2.692 -7.991 -0.837 1.00 72.22 H new ATOM 0 HD11 LEU C 229 -0.859 -7.611 -2.410 1.00 43.54 H new ATOM 0 HD12 LEU C 229 -0.771 -6.558 -0.979 1.00 43.54 H new ATOM 0 HD13 LEU C 229 0.310 -7.965 -1.116 1.00 43.54 H new ATOM 0 HD21 LEU C 229 -1.838 -9.819 -2.275 1.00 44.41 H new ATOM 0 HD22 LEU C 229 -0.773 -10.340 -0.948 1.00 44.41 H new ATOM 0 HD23 LEU C 229 -2.540 -10.423 -0.755 1.00 44.41 H new ATOM 2206 N ASN C 230 -2.982 -7.000 3.791 1.00 41.42 N ATOM 2207 CA ASN C 230 -3.218 -7.290 5.184 1.00 24.21 C ATOM 2208 C ASN C 230 -3.876 -8.629 5.249 1.00 62.25 C ATOM 2209 O ASN C 230 -5.049 -8.779 4.911 1.00 13.24 O ATOM 2210 CB ASN C 230 -4.151 -6.247 5.817 1.00 34.14 C ATOM 2211 CG ASN C 230 -4.357 -6.361 7.347 1.00 35.13 C ATOM 2212 OD1 ASN C 230 -4.631 -5.360 7.995 1.00 72.05 O ATOM 2213 ND2 ASN C 230 -4.212 -7.538 7.935 1.00 71.43 N ATOM 0 H ASN C 230 -3.684 -6.400 3.357 1.00 41.42 H new ATOM 0 HA ASN C 230 -2.274 -7.272 5.729 1.00 24.21 H new ATOM 0 HB2 ASN C 230 -3.757 -5.255 5.596 1.00 34.14 H new ATOM 0 HB3 ASN C 230 -5.125 -6.318 5.333 1.00 34.14 H new ATOM 0 HD21 ASN C 230 -4.329 -7.621 8.945 1.00 71.43 H new ATOM 0 HD22 ASN C 230 -3.983 -8.362 7.378 1.00 71.43 H new ATOM 2220 N THR C 231 -3.119 -9.584 5.639 1.00 54.24 N ATOM 2221 CA THR C 231 -3.586 -10.910 5.767 1.00 52.31 C ATOM 2222 C THR C 231 -3.970 -11.132 7.217 1.00 12.32 C ATOM 2223 O THR C 231 -3.467 -10.435 8.085 1.00 62.43 O ATOM 2224 CB THR C 231 -2.472 -11.891 5.354 1.00 73.51 C ATOM 2225 OG1 THR C 231 -1.316 -11.688 6.194 1.00 24.12 O ATOM 2226 CG2 THR C 231 -2.069 -11.641 3.910 1.00 74.54 C ATOM 0 H THR C 231 -2.136 -9.462 5.883 1.00 54.24 H new ATOM 0 HA THR C 231 -4.449 -11.078 5.123 1.00 52.31 H new ATOM 0 HB THR C 231 -2.843 -12.910 5.462 1.00 73.51 H new ATOM 0 HG1 THR C 231 -0.534 -12.113 5.783 1.00 24.12 H new ATOM 0 HG21 THR C 231 -1.281 -12.339 3.626 1.00 74.54 H new ATOM 0 HG22 THR C 231 -2.933 -11.785 3.261 1.00 74.54 H new ATOM 0 HG23 THR C 231 -1.704 -10.619 3.806 1.00 74.54 H new ATOM 2234 N PRO C 232 -4.870 -12.062 7.512 1.00 42.31 N ATOM 2235 CA PRO C 232 -5.270 -12.365 8.901 1.00 71.11 C ATOM 2236 C PRO C 232 -4.109 -12.910 9.759 1.00 5.31 C ATOM 2237 O PRO C 232 -4.230 -13.027 10.976 1.00 51.42 O ATOM 2238 CB PRO C 232 -6.343 -13.441 8.723 1.00 12.11 C ATOM 2239 CG PRO C 232 -6.846 -13.232 7.338 1.00 64.31 C ATOM 2240 CD PRO C 232 -5.637 -12.864 6.542 1.00 63.20 C ATOM 0 HA PRO C 232 -5.608 -11.472 9.426 1.00 71.11 H new ATOM 0 HB2 PRO C 232 -5.928 -14.441 8.849 1.00 12.11 H new ATOM 0 HB3 PRO C 232 -7.141 -13.332 9.457 1.00 12.11 H new ATOM 0 HG2 PRO C 232 -7.316 -14.135 6.948 1.00 64.31 H new ATOM 0 HG3 PRO C 232 -7.596 -12.442 7.305 1.00 64.31 H new ATOM 0 HD2 PRO C 232 -5.084 -13.742 6.209 1.00 63.20 H new ATOM 0 HD3 PRO C 232 -5.893 -12.292 5.650 1.00 63.20 H new ATOM 2248 N ASN C 233 -3.000 -13.245 9.117 1.00 62.35 N ATOM 2249 CA ASN C 233 -1.852 -13.801 9.822 1.00 72.13 C ATOM 2250 C ASN C 233 -0.753 -12.743 10.033 1.00 44.23 C ATOM 2251 O ASN C 233 0.067 -12.863 10.940 1.00 22.33 O ATOM 2252 CB ASN C 233 -1.292 -15.021 9.059 1.00 11.41 C ATOM 2253 CG ASN C 233 -0.118 -15.706 9.761 1.00 21.31 C ATOM 2254 OD1 ASN C 233 -0.011 -15.701 10.985 1.00 65.11 O ATOM 2255 ND2 ASN C 233 0.754 -16.313 8.995 1.00 42.33 N ATOM 0 H ASN C 233 -2.869 -13.142 8.111 1.00 62.35 H new ATOM 0 HA ASN C 233 -2.190 -14.127 10.806 1.00 72.13 H new ATOM 0 HB2 ASN C 233 -2.092 -15.748 8.918 1.00 11.41 H new ATOM 0 HB3 ASN C 233 -0.973 -14.702 8.067 1.00 11.41 H new ATOM 0 HD21 ASN C 233 1.548 -16.799 9.412 1.00 42.33 H new ATOM 0 HD22 ASN C 233 0.639 -16.300 7.982 1.00 42.33 H new ATOM 2262 N CYS C 234 -0.770 -11.690 9.250 1.00 51.22 N ATOM 2263 CA CYS C 234 0.271 -10.674 9.346 1.00 33.31 C ATOM 2264 C CYS C 234 -0.318 -9.293 9.593 1.00 24.02 C ATOM 2265 O CYS C 234 -1.301 -8.906 8.968 1.00 74.21 O ATOM 2266 CB CYS C 234 1.174 -10.672 8.089 1.00 31.14 C ATOM 2267 SG CYS C 234 2.227 -12.150 7.886 1.00 72.33 S ATOM 0 H CYS C 234 -1.483 -11.508 8.543 1.00 51.22 H new ATOM 0 HA CYS C 234 0.892 -10.928 10.205 1.00 33.31 H new ATOM 0 HB2 CYS C 234 0.541 -10.572 7.207 1.00 31.14 H new ATOM 0 HB3 CYS C 234 1.815 -9.791 8.123 1.00 31.14 H new ATOM 2272 N ALA C 235 0.325 -8.556 10.506 1.00 44.02 N ATOM 2273 CA ALA C 235 -0.101 -7.225 10.957 1.00 20.14 C ATOM 2274 C ALA C 235 -0.329 -6.284 9.789 1.00 2.35 C ATOM 2275 O ALA C 235 -1.346 -5.578 9.716 1.00 11.23 O ATOM 2276 CB ALA C 235 0.970 -6.652 11.868 1.00 71.01 C ATOM 0 H ALA C 235 1.178 -8.877 10.964 1.00 44.02 H new ATOM 0 HA ALA C 235 -1.046 -7.327 11.490 1.00 20.14 H new ATOM 0 HB1 ALA C 235 0.666 -5.663 12.210 1.00 71.01 H new ATOM 0 HB2 ALA C 235 1.105 -7.308 12.728 1.00 71.01 H new ATOM 0 HB3 ALA C 235 1.909 -6.573 11.321 1.00 71.01 H new ATOM 2282 N CYS C 236 0.615 -6.266 8.904 1.00 24.51 N ATOM 2283 CA CYS C 236 0.561 -5.478 7.717 1.00 12.23 C ATOM 2284 C CYS C 236 1.677 -6.006 6.841 1.00 62.22 C ATOM 2285 O CYS C 236 2.769 -6.278 7.336 1.00 23.52 O ATOM 2286 CB CYS C 236 0.747 -3.971 8.062 1.00 22.53 C ATOM 2287 SG CYS C 236 0.453 -2.811 6.683 1.00 33.51 S ATOM 0 H CYS C 236 1.470 -6.816 8.991 1.00 24.51 H new ATOM 0 HA CYS C 236 -0.399 -5.549 7.207 1.00 12.23 H new ATOM 0 HB2 CYS C 236 0.072 -3.717 8.879 1.00 22.53 H new ATOM 0 HB3 CYS C 236 1.762 -3.822 8.430 1.00 22.53 H new ATOM 2292 N GLN C 237 1.424 -6.209 5.592 1.00 73.11 N ATOM 2293 CA GLN C 237 2.419 -6.806 4.743 1.00 31.13 C ATOM 2294 C GLN C 237 2.519 -6.013 3.469 1.00 43.40 C ATOM 2295 O GLN C 237 1.593 -6.006 2.668 1.00 1.42 O ATOM 2296 CB GLN C 237 2.053 -8.266 4.424 1.00 15.01 C ATOM 2297 CG GLN C 237 3.207 -9.083 3.859 1.00 60.42 C ATOM 2298 CD GLN C 237 4.200 -9.561 4.935 1.00 33.34 C ATOM 2299 OE1 GLN C 237 4.265 -8.872 6.067 1.00 62.54 O flip ATOM 2300 NE2 GLN C 237 4.849 -10.581 4.759 1.00 11.32 N flip ATOM 0 H GLN C 237 0.545 -5.975 5.131 1.00 73.11 H new ATOM 0 HA GLN C 237 3.379 -6.799 5.259 1.00 31.13 H new ATOM 0 HB2 GLN C 237 1.692 -8.746 5.333 1.00 15.01 H new ATOM 0 HB3 GLN C 237 1.230 -8.276 3.710 1.00 15.01 H new ATOM 0 HG2 GLN C 237 2.806 -9.950 3.334 1.00 60.42 H new ATOM 0 HG3 GLN C 237 3.741 -8.483 3.122 1.00 60.42 H new ATOM 0 HE21 GLN C 237 4.775 -11.086 3.876 1.00 11.32 H new ATOM 0 HE22 GLN C 237 5.465 -10.927 5.495 1.00 11.32 H new ATOM 2309 N ILE C 238 3.615 -5.344 3.290 1.00 33.40 N ATOM 2310 CA ILE C 238 3.796 -4.510 2.138 1.00 51.44 C ATOM 2311 C ILE C 238 4.739 -5.202 1.174 1.00 43.05 C ATOM 2312 O ILE C 238 5.825 -5.582 1.561 1.00 5.24 O ATOM 2313 CB ILE C 238 4.430 -3.158 2.543 1.00 45.54 C ATOM 2314 CG1 ILE C 238 3.681 -2.546 3.738 1.00 2.54 C ATOM 2315 CG2 ILE C 238 4.404 -2.193 1.361 1.00 74.11 C ATOM 2316 CD1 ILE C 238 4.206 -1.197 4.170 1.00 63.25 C ATOM 0 H ILE C 238 4.407 -5.358 3.933 1.00 33.40 H new ATOM 0 HA ILE C 238 2.824 -4.334 1.677 1.00 51.44 H new ATOM 0 HB ILE C 238 5.465 -3.335 2.836 1.00 45.54 H new ATOM 0 HG12 ILE C 238 2.626 -2.448 3.480 1.00 2.54 H new ATOM 0 HG13 ILE C 238 3.740 -3.234 4.581 1.00 2.54 H new ATOM 0 HG21 ILE C 238 4.852 -1.244 1.656 1.00 74.11 H new ATOM 0 HG22 ILE C 238 4.968 -2.619 0.531 1.00 74.11 H new ATOM 0 HG23 ILE C 238 3.373 -2.026 1.050 1.00 74.11 H new ATOM 0 HD11 ILE C 238 3.624 -0.835 5.018 1.00 63.25 H new ATOM 0 HD12 ILE C 238 5.252 -1.290 4.461 1.00 63.25 H new ATOM 0 HD13 ILE C 238 4.121 -0.492 3.343 1.00 63.25 H new ATOM 2328 N VAL C 239 4.326 -5.391 -0.045 1.00 2.34 N ATOM 2329 CA VAL C 239 5.190 -5.969 -1.051 1.00 50.20 C ATOM 2330 C VAL C 239 5.474 -4.908 -2.118 1.00 72.02 C ATOM 2331 O VAL C 239 4.543 -4.342 -2.699 1.00 31.24 O ATOM 2332 CB VAL C 239 4.536 -7.220 -1.711 1.00 63.24 C ATOM 2333 CG1 VAL C 239 5.479 -7.865 -2.718 1.00 70.54 C ATOM 2334 CG2 VAL C 239 4.109 -8.235 -0.649 1.00 63.31 C ATOM 0 H VAL C 239 3.391 -5.154 -0.375 1.00 2.34 H new ATOM 0 HA VAL C 239 6.117 -6.292 -0.577 1.00 50.20 H new ATOM 0 HB VAL C 239 3.646 -6.887 -2.246 1.00 63.24 H new ATOM 0 HG11 VAL C 239 4.996 -8.735 -3.163 1.00 70.54 H new ATOM 0 HG12 VAL C 239 5.723 -7.146 -3.500 1.00 70.54 H new ATOM 0 HG13 VAL C 239 6.393 -8.176 -2.213 1.00 70.54 H new ATOM 0 HG21 VAL C 239 3.655 -9.099 -1.134 1.00 63.31 H new ATOM 0 HG22 VAL C 239 4.982 -8.555 -0.080 1.00 63.31 H new ATOM 0 HG23 VAL C 239 3.385 -7.775 0.024 1.00 63.31 H new ATOM 2344 N ALA C 240 6.729 -4.659 -2.386 1.00 74.51 N ATOM 2345 CA ALA C 240 7.121 -3.625 -3.321 1.00 40.00 C ATOM 2346 C ALA C 240 7.907 -4.197 -4.472 1.00 44.54 C ATOM 2347 O ALA C 240 8.766 -5.063 -4.282 1.00 4.12 O ATOM 2348 CB ALA C 240 7.942 -2.559 -2.618 1.00 2.30 C ATOM 0 H ALA C 240 7.510 -5.163 -1.966 1.00 74.51 H new ATOM 0 HA ALA C 240 6.211 -3.175 -3.717 1.00 40.00 H new ATOM 0 HB1 ALA C 240 8.229 -1.789 -3.334 1.00 2.30 H new ATOM 0 HB2 ALA C 240 7.349 -2.110 -1.821 1.00 2.30 H new ATOM 0 HB3 ALA C 240 8.838 -3.011 -2.193 1.00 2.30 H new ATOM 2354 N ARG C 241 7.630 -3.714 -5.658 1.00 32.22 N ATOM 2355 CA ARG C 241 8.320 -4.178 -6.839 1.00 14.43 C ATOM 2356 C ARG C 241 9.451 -3.249 -7.213 1.00 44.24 C ATOM 2357 O ARG C 241 9.225 -2.112 -7.572 1.00 34.43 O ATOM 2358 CB ARG C 241 7.367 -4.408 -8.024 1.00 14.52 C ATOM 2359 CG ARG C 241 6.417 -5.553 -7.807 1.00 23.24 C ATOM 2360 CD ARG C 241 5.674 -5.898 -9.071 1.00 74.25 C ATOM 2361 NE ARG C 241 4.833 -7.080 -8.880 1.00 43.31 N ATOM 2362 CZ ARG C 241 4.527 -7.965 -9.834 1.00 62.13 C ATOM 2363 NH1 ARG C 241 4.967 -7.789 -11.074 1.00 63.52 N ATOM 2364 NH2 ARG C 241 3.786 -9.031 -9.538 1.00 42.33 N ATOM 0 H ARG C 241 6.927 -2.995 -5.833 1.00 32.22 H new ATOM 0 HA ARG C 241 8.750 -5.149 -6.592 1.00 14.43 H new ATOM 0 HB2 ARG C 241 6.794 -3.498 -8.203 1.00 14.52 H new ATOM 0 HB3 ARG C 241 7.954 -4.597 -8.923 1.00 14.52 H new ATOM 0 HG2 ARG C 241 6.970 -6.425 -7.459 1.00 23.24 H new ATOM 0 HG3 ARG C 241 5.705 -5.293 -7.024 1.00 23.24 H new ATOM 0 HD2 ARG C 241 5.056 -5.053 -9.376 1.00 74.25 H new ATOM 0 HD3 ARG C 241 6.385 -6.080 -9.877 1.00 74.25 H new ATOM 0 HE ARG C 241 4.451 -7.241 -7.948 1.00 43.31 H new ATOM 0 HH11 ARG C 241 5.540 -6.977 -11.301 1.00 63.52 H new ATOM 0 HH12 ARG C 241 4.732 -8.466 -11.800 1.00 63.52 H new ATOM 0 HH21 ARG C 241 3.453 -9.171 -8.584 1.00 42.33 H new ATOM 0 HH22 ARG C 241 3.552 -9.707 -10.265 1.00 42.33 H new ATOM 2378 N LEU C 242 10.656 -3.753 -7.090 1.00 13.01 N ATOM 2379 CA LEU C 242 11.891 -3.021 -7.403 1.00 22.25 C ATOM 2380 C LEU C 242 12.031 -2.770 -8.892 1.00 2.32 C ATOM 2381 O LEU C 242 11.481 -3.521 -9.715 1.00 3.40 O ATOM 2382 CB LEU C 242 13.151 -3.777 -6.886 1.00 42.13 C ATOM 2383 CG LEU C 242 13.364 -3.879 -5.359 1.00 50.05 C ATOM 2384 CD1 LEU C 242 13.490 -2.512 -4.727 1.00 45.53 C ATOM 2385 CD2 LEU C 242 12.271 -4.672 -4.689 1.00 72.24 C ATOM 0 H LEU C 242 10.824 -4.704 -6.763 1.00 13.01 H new ATOM 0 HA LEU C 242 11.820 -2.062 -6.891 1.00 22.25 H new ATOM 0 HB2 LEU C 242 13.119 -4.790 -7.286 1.00 42.13 H new ATOM 0 HB3 LEU C 242 14.029 -3.293 -7.313 1.00 42.13 H new ATOM 0 HG LEU C 242 14.302 -4.414 -5.208 1.00 50.05 H new ATOM 0 HD11 LEU C 242 13.639 -2.620 -3.653 1.00 45.53 H new ATOM 0 HD12 LEU C 242 14.342 -1.988 -5.160 1.00 45.53 H new ATOM 0 HD13 LEU C 242 12.580 -1.941 -4.911 1.00 45.53 H new ATOM 0 HD21 LEU C 242 12.460 -4.719 -3.617 1.00 72.24 H new ATOM 0 HD22 LEU C 242 11.310 -4.190 -4.867 1.00 72.24 H new ATOM 0 HD23 LEU C 242 12.251 -5.682 -5.098 1.00 72.24 H new ATOM 2397 N LYS C 243 12.757 -1.709 -9.236 1.00 20.02 N ATOM 2398 CA LYS C 243 13.039 -1.321 -10.612 1.00 71.54 C ATOM 2399 C LYS C 243 13.974 -2.297 -11.322 1.00 44.01 C ATOM 2400 O LYS C 243 15.119 -1.959 -11.629 1.00 72.55 O ATOM 2401 CB LYS C 243 13.634 0.073 -10.618 1.00 31.02 C ATOM 2402 CG LYS C 243 12.715 1.092 -10.013 1.00 30.21 C ATOM 2403 CD LYS C 243 13.388 2.400 -9.747 1.00 41.43 C ATOM 2404 CE LYS C 243 13.883 3.077 -11.018 1.00 44.34 C ATOM 2405 NZ LYS C 243 14.534 4.374 -10.732 1.00 63.05 N ATOM 0 H LYS C 243 13.174 -1.082 -8.548 1.00 20.02 H new ATOM 0 HA LYS C 243 12.099 -1.337 -11.163 1.00 71.54 H new ATOM 0 HB2 LYS C 243 14.575 0.065 -10.068 1.00 31.02 H new ATOM 0 HB3 LYS C 243 13.866 0.361 -11.643 1.00 31.02 H new ATOM 0 HG2 LYS C 243 11.870 1.254 -10.682 1.00 30.21 H new ATOM 0 HG3 LYS C 243 12.312 0.701 -9.079 1.00 30.21 H new ATOM 0 HD2 LYS C 243 12.692 3.064 -9.234 1.00 41.43 H new ATOM 0 HD3 LYS C 243 14.230 2.240 -9.074 1.00 41.43 H new ATOM 0 HE2 LYS C 243 14.588 2.421 -11.528 1.00 44.34 H new ATOM 0 HE3 LYS C 243 13.045 3.233 -11.697 1.00 44.34 H new ATOM 0 HZ1 LYS C 243 14.857 4.804 -11.622 1.00 63.05 H new ATOM 0 HZ2 LYS C 243 13.854 5.009 -10.268 1.00 63.05 H new ATOM 0 HZ3 LYS C 243 15.349 4.222 -10.105 1.00 63.05 H new ATOM 2461 N ARG C 247 14.260 -8.697 -7.447 1.00 42.34 N ATOM 2462 CA ARG C 247 12.949 -9.275 -7.263 1.00 23.02 C ATOM 2463 C ARG C 247 12.119 -8.272 -6.536 1.00 63.14 C ATOM 2464 O ARG C 247 12.523 -7.123 -6.440 1.00 40.45 O ATOM 2465 CB ARG C 247 13.005 -10.645 -6.490 1.00 51.50 C ATOM 2466 CG ARG C 247 13.367 -10.662 -4.968 1.00 60.33 C ATOM 2467 CD ARG C 247 14.671 -9.957 -4.638 1.00 43.24 C ATOM 2468 NE ARG C 247 15.167 -10.178 -3.244 1.00 14.12 N ATOM 2469 CZ ARG C 247 14.549 -9.860 -2.067 1.00 11.14 C ATOM 2470 NH1 ARG C 247 13.238 -9.629 -2.003 1.00 4.53 N ATOM 2471 NH2 ARG C 247 15.259 -9.862 -0.946 1.00 13.35 N ATOM 0 HA ARG C 247 12.509 -9.506 -8.233 1.00 23.02 H new ATOM 0 HB2 ARG C 247 12.030 -11.120 -6.598 1.00 51.50 H new ATOM 0 HB3 ARG C 247 13.727 -11.279 -7.004 1.00 51.50 H new ATOM 0 HG2 ARG C 247 12.559 -10.192 -4.407 1.00 60.33 H new ATOM 0 HG3 ARG C 247 13.429 -11.697 -4.631 1.00 60.33 H new ATOM 0 HD2 ARG C 247 15.436 -10.292 -5.338 1.00 43.24 H new ATOM 0 HD3 ARG C 247 14.540 -8.887 -4.797 1.00 43.24 H new ATOM 0 HE ARG C 247 16.082 -10.622 -3.161 1.00 14.12 H new ATOM 0 HH11 ARG C 247 12.668 -9.688 -2.847 1.00 4.53 H new ATOM 0 HH12 ARG C 247 12.805 -9.394 -1.110 1.00 4.53 H new ATOM 0 HH21 ARG C 247 16.251 -10.099 -0.971 1.00 13.35 H new ATOM 0 HH22 ARG C 247 14.813 -9.627 -0.059 1.00 13.35 H new ATOM 2485 N GLN C 248 10.996 -8.674 -6.030 1.00 60.14 N ATOM 2486 CA GLN C 248 10.178 -7.787 -5.260 1.00 62.10 C ATOM 2487 C GLN C 248 10.501 -8.050 -3.810 1.00 50.35 C ATOM 2488 O GLN C 248 10.846 -9.179 -3.445 1.00 60.34 O ATOM 2489 CB GLN C 248 8.656 -8.017 -5.524 1.00 15.32 C ATOM 2490 CG GLN C 248 8.067 -9.352 -5.014 1.00 52.42 C ATOM 2491 CD GLN C 248 8.668 -10.587 -5.660 1.00 61.33 C ATOM 2492 OE1 GLN C 248 9.083 -10.560 -6.817 1.00 62.23 O ATOM 2493 NE2 GLN C 248 8.742 -11.653 -4.917 1.00 43.34 N ATOM 0 H GLN C 248 10.622 -9.617 -6.136 1.00 60.14 H new ATOM 0 HA GLN C 248 10.385 -6.754 -5.539 1.00 62.10 H new ATOM 0 HB2 GLN C 248 8.101 -7.200 -5.063 1.00 15.32 H new ATOM 0 HB3 GLN C 248 8.482 -7.954 -6.598 1.00 15.32 H new ATOM 0 HG2 GLN C 248 8.214 -9.412 -3.936 1.00 52.42 H new ATOM 0 HG3 GLN C 248 6.991 -9.352 -5.189 1.00 52.42 H new ATOM 0 HE21 GLN C 248 8.386 -11.634 -3.961 1.00 43.34 H new ATOM 0 HE22 GLN C 248 9.156 -12.507 -5.290 1.00 43.34 H new ATOM 2502 N VAL C 249 10.449 -7.044 -3.005 1.00 3.40 N ATOM 2503 CA VAL C 249 10.754 -7.215 -1.614 1.00 74.52 C ATOM 2504 C VAL C 249 9.528 -6.929 -0.812 1.00 2.15 C ATOM 2505 O VAL C 249 8.662 -6.159 -1.242 1.00 62.34 O ATOM 2506 CB VAL C 249 11.946 -6.304 -1.106 1.00 32.42 C ATOM 2507 CG1 VAL C 249 13.218 -6.514 -1.905 1.00 23.12 C ATOM 2508 CG2 VAL C 249 11.591 -4.823 -1.004 1.00 32.01 C ATOM 0 H VAL C 249 10.199 -6.094 -3.279 1.00 3.40 H new ATOM 0 HA VAL C 249 11.082 -8.246 -1.484 1.00 74.52 H new ATOM 0 HB VAL C 249 12.137 -6.639 -0.087 1.00 32.42 H new ATOM 0 HG11 VAL C 249 14.003 -5.866 -1.516 1.00 23.12 H new ATOM 0 HG12 VAL C 249 13.532 -7.554 -1.822 1.00 23.12 H new ATOM 0 HG13 VAL C 249 13.034 -6.273 -2.952 1.00 23.12 H new ATOM 0 HG21 VAL C 249 12.458 -4.265 -0.650 1.00 32.01 H new ATOM 0 HG22 VAL C 249 11.296 -4.451 -1.985 1.00 32.01 H new ATOM 0 HG23 VAL C 249 10.765 -4.694 -0.304 1.00 32.01 H new ATOM 2518 N CYS C 250 9.417 -7.538 0.298 1.00 25.52 N ATOM 2519 CA CYS C 250 8.354 -7.230 1.169 1.00 54.31 C ATOM 2520 C CYS C 250 8.937 -6.396 2.270 1.00 12.52 C ATOM 2521 O CYS C 250 9.968 -6.721 2.803 1.00 54.01 O ATOM 2522 CB CYS C 250 7.607 -8.499 1.659 1.00 24.03 C ATOM 2523 SG CYS C 250 8.643 -9.766 2.456 1.00 64.43 S ATOM 0 H CYS C 250 10.055 -8.261 0.631 1.00 25.52 H new ATOM 0 HA CYS C 250 7.573 -6.664 0.660 1.00 54.31 H new ATOM 0 HB2 CYS C 250 6.833 -8.193 2.363 1.00 24.03 H new ATOM 0 HB3 CYS C 250 7.102 -8.953 0.806 1.00 24.03 H new ATOM 2528 N ILE C 251 8.324 -5.295 2.551 1.00 64.33 N ATOM 2529 CA ILE C 251 8.879 -4.365 3.485 1.00 40.14 C ATOM 2530 C ILE C 251 8.186 -4.328 4.781 1.00 62.53 C ATOM 2531 O ILE C 251 6.992 -4.652 4.890 1.00 52.51 O ATOM 2532 CB ILE C 251 9.100 -2.903 2.955 1.00 23.54 C ATOM 2533 CG1 ILE C 251 7.906 -2.296 2.211 1.00 62.12 C ATOM 2534 CG2 ILE C 251 10.298 -2.825 2.105 1.00 64.31 C ATOM 2535 CD1 ILE C 251 7.642 -2.879 0.830 1.00 25.44 C ATOM 0 H ILE C 251 7.432 -5.013 2.145 1.00 64.33 H new ATOM 0 HA ILE C 251 9.872 -4.787 3.636 1.00 40.14 H new ATOM 0 HB ILE C 251 9.231 -2.305 3.857 1.00 23.54 H new ATOM 0 HG12 ILE C 251 7.012 -2.428 2.821 1.00 62.12 H new ATOM 0 HG13 ILE C 251 8.068 -1.223 2.110 1.00 62.12 H new ATOM 0 HG21 ILE C 251 10.427 -1.802 1.752 1.00 64.31 H new ATOM 0 HG22 ILE C 251 11.173 -3.123 2.682 1.00 64.31 H new ATOM 0 HG23 ILE C 251 10.182 -3.492 1.251 1.00 64.31 H new ATOM 0 HD11 ILE C 251 6.778 -2.385 0.385 1.00 25.44 H new ATOM 0 HD12 ILE C 251 8.515 -2.723 0.196 1.00 25.44 H new ATOM 0 HD13 ILE C 251 7.443 -3.947 0.918 1.00 25.44 H new ATOM 2547 N ASP C 252 8.957 -3.947 5.774 1.00 63.41 N ATOM 2548 CA ASP C 252 8.470 -3.773 7.111 1.00 23.12 C ATOM 2549 C ASP C 252 7.533 -2.589 7.111 1.00 33.01 C ATOM 2550 O ASP C 252 7.913 -1.495 6.680 1.00 73.21 O ATOM 2551 CB ASP C 252 9.624 -3.497 8.085 1.00 3.32 C ATOM 2552 CG ASP C 252 9.161 -3.479 9.535 1.00 23.53 C ATOM 2553 OD1 ASP C 252 8.650 -2.463 9.992 1.00 42.44 O ATOM 2554 OD2 ASP C 252 9.306 -4.500 10.230 1.00 3.43 O ATOM 0 H ASP C 252 9.952 -3.748 5.668 1.00 63.41 H new ATOM 0 HA ASP C 252 7.962 -4.682 7.433 1.00 23.12 H new ATOM 0 HB2 ASP C 252 10.393 -4.260 7.960 1.00 3.32 H new ATOM 0 HB3 ASP C 252 10.083 -2.539 7.840 1.00 3.32 H new ATOM 2559 N PRO C 253 6.301 -2.780 7.560 1.00 14.33 N ATOM 2560 CA PRO C 253 5.301 -1.716 7.592 1.00 72.13 C ATOM 2561 C PRO C 253 5.678 -0.535 8.501 1.00 61.41 C ATOM 2562 O PRO C 253 5.022 0.509 8.490 1.00 45.10 O ATOM 2563 CB PRO C 253 4.038 -2.398 8.116 1.00 14.55 C ATOM 2564 CG PRO C 253 4.434 -3.749 8.608 1.00 4.22 C ATOM 2565 CD PRO C 253 5.778 -4.068 8.041 1.00 34.05 C ATOM 0 HA PRO C 253 5.189 -1.275 6.602 1.00 72.13 H new ATOM 0 HB2 PRO C 253 3.590 -1.813 8.919 1.00 14.55 H new ATOM 0 HB3 PRO C 253 3.290 -2.480 7.327 1.00 14.55 H new ATOM 0 HG2 PRO C 253 4.466 -3.764 9.697 1.00 4.22 H new ATOM 0 HG3 PRO C 253 3.703 -4.497 8.300 1.00 4.22 H new ATOM 0 HD2 PRO C 253 6.432 -4.503 8.796 1.00 34.05 H new ATOM 0 HD3 PRO C 253 5.703 -4.792 7.229 1.00 34.05 H new ATOM 2573 N LYS C 254 6.720 -0.693 9.288 1.00 1.21 N ATOM 2574 CA LYS C 254 7.107 0.314 10.201 1.00 63.41 C ATOM 2575 C LYS C 254 8.524 0.836 9.860 1.00 11.14 C ATOM 2576 O LYS C 254 9.166 1.528 10.663 1.00 41.35 O ATOM 2577 CB LYS C 254 7.018 -0.270 11.606 1.00 1.25 C ATOM 2578 CG LYS C 254 5.724 -1.082 11.792 1.00 24.41 C ATOM 2579 CD LYS C 254 5.461 -1.497 13.212 1.00 1.41 C ATOM 2580 CE LYS C 254 5.213 -0.286 14.049 1.00 13.23 C ATOM 2581 NZ LYS C 254 4.720 -0.611 15.404 1.00 1.30 N ATOM 0 H LYS C 254 7.309 -1.526 9.299 1.00 1.21 H new ATOM 0 HA LYS C 254 6.444 1.177 10.138 1.00 63.41 H new ATOM 0 HB2 LYS C 254 7.881 -0.909 11.792 1.00 1.25 H new ATOM 0 HB3 LYS C 254 7.054 0.535 12.340 1.00 1.25 H new ATOM 0 HG2 LYS C 254 4.881 -0.490 11.436 1.00 24.41 H new ATOM 0 HG3 LYS C 254 5.774 -1.974 11.167 1.00 24.41 H new ATOM 0 HD2 LYS C 254 4.599 -2.163 13.253 1.00 1.41 H new ATOM 0 HD3 LYS C 254 6.313 -2.054 13.603 1.00 1.41 H new ATOM 0 HE2 LYS C 254 6.137 0.287 14.132 1.00 13.23 H new ATOM 0 HE3 LYS C 254 4.486 0.353 13.547 1.00 13.23 H new ATOM 0 HZ1 LYS C 254 4.647 0.261 15.965 1.00 1.30 H new ATOM 0 HZ2 LYS C 254 3.783 -1.058 15.335 1.00 1.30 H new ATOM 0 HZ3 LYS C 254 5.382 -1.266 15.867 1.00 1.30 H new ATOM 2595 N LEU C 255 8.981 0.508 8.647 1.00 75.15 N ATOM 2596 CA LEU C 255 10.243 0.977 8.098 1.00 64.44 C ATOM 2597 C LEU C 255 10.177 2.526 8.053 1.00 64.01 C ATOM 2598 O LEU C 255 9.121 3.076 7.768 1.00 21.23 O ATOM 2599 CB LEU C 255 10.337 0.409 6.677 1.00 4.22 C ATOM 2600 CG LEU C 255 11.711 0.159 6.078 1.00 54.02 C ATOM 2601 CD1 LEU C 255 11.586 -0.417 4.681 1.00 21.41 C ATOM 2602 CD2 LEU C 255 12.589 1.381 6.073 1.00 3.21 C ATOM 0 H LEU C 255 8.468 -0.104 8.012 1.00 75.15 H new ATOM 0 HA LEU C 255 11.107 0.666 8.686 1.00 64.44 H new ATOM 0 HB2 LEU C 255 9.794 -0.536 6.663 1.00 4.22 H new ATOM 0 HB3 LEU C 255 9.807 1.092 6.013 1.00 4.22 H new ATOM 0 HG LEU C 255 12.202 -0.568 6.724 1.00 54.02 H new ATOM 0 HD11 LEU C 255 12.580 -0.589 4.268 1.00 21.41 H new ATOM 0 HD12 LEU C 255 11.042 -1.361 4.724 1.00 21.41 H new ATOM 0 HD13 LEU C 255 11.046 0.284 4.045 1.00 21.41 H new ATOM 0 HD21 LEU C 255 13.555 1.133 5.632 1.00 3.21 H new ATOM 0 HD22 LEU C 255 12.114 2.168 5.487 1.00 3.21 H new ATOM 0 HD23 LEU C 255 12.735 1.728 7.096 1.00 3.21 H new ATOM 2614 N LYS C 256 11.289 3.213 8.320 1.00 53.14 N ATOM 2615 CA LYS C 256 11.277 4.671 8.441 1.00 1.04 C ATOM 2616 C LYS C 256 10.748 5.423 7.211 1.00 13.12 C ATOM 2617 O LYS C 256 9.957 6.348 7.365 1.00 44.03 O ATOM 2618 CB LYS C 256 12.594 5.235 8.959 1.00 63.13 C ATOM 2619 CG LYS C 256 12.520 6.723 9.209 1.00 10.24 C ATOM 2620 CD LYS C 256 13.688 7.244 10.003 1.00 12.32 C ATOM 2621 CE LYS C 256 15.024 7.052 9.307 1.00 20.42 C ATOM 2622 NZ LYS C 256 16.123 7.664 10.083 1.00 64.43 N ATOM 0 H LYS C 256 12.205 2.785 8.456 1.00 53.14 H new ATOM 0 HA LYS C 256 10.529 4.864 9.210 1.00 1.04 H new ATOM 0 HB2 LYS C 256 12.866 4.726 9.884 1.00 63.13 H new ATOM 0 HB3 LYS C 256 13.384 5.029 8.237 1.00 63.13 H new ATOM 0 HG2 LYS C 256 12.476 7.245 8.253 1.00 10.24 H new ATOM 0 HG3 LYS C 256 11.596 6.951 9.740 1.00 10.24 H new ATOM 0 HD2 LYS C 256 13.539 8.306 10.201 1.00 12.32 H new ATOM 0 HD3 LYS C 256 13.714 6.740 10.969 1.00 12.32 H new ATOM 0 HE2 LYS C 256 15.218 5.988 9.174 1.00 20.42 H new ATOM 0 HE3 LYS C 256 14.986 7.496 8.312 1.00 20.42 H new ATOM 0 HZ1 LYS C 256 17.024 7.518 9.584 1.00 64.43 H new ATOM 0 HZ2 LYS C 256 15.947 8.684 10.189 1.00 64.43 H new ATOM 0 HZ3 LYS C 256 16.172 7.222 11.023 1.00 64.43 H new ATOM 2636 N TRP C 257 11.139 5.039 5.997 1.00 65.24 N ATOM 2637 CA TRP C 257 10.552 5.730 4.846 1.00 25.54 C ATOM 2638 C TRP C 257 9.095 5.338 4.665 1.00 33.44 C ATOM 2639 O TRP C 257 8.310 6.111 4.154 1.00 24.33 O ATOM 2640 CB TRP C 257 11.348 5.623 3.525 1.00 74.23 C ATOM 2641 CG TRP C 257 11.567 4.254 2.974 1.00 40.14 C ATOM 2642 CD1 TRP C 257 12.637 3.449 3.187 1.00 33.51 C ATOM 2643 CD2 TRP C 257 10.705 3.553 2.071 1.00 44.40 C ATOM 2644 NE1 TRP C 257 12.495 2.288 2.475 1.00 2.40 N ATOM 2645 CE2 TRP C 257 11.317 2.329 1.782 1.00 13.11 C ATOM 2646 CE3 TRP C 257 9.474 3.847 1.480 1.00 22.33 C ATOM 2647 CZ2 TRP C 257 10.744 1.401 0.925 1.00 42.35 C ATOM 2648 CZ3 TRP C 257 8.911 2.926 0.631 1.00 2.33 C ATOM 2649 CH2 TRP C 257 9.550 1.716 0.362 1.00 62.13 C ATOM 0 H TRP C 257 11.814 4.303 5.788 1.00 65.24 H new ATOM 0 HA TRP C 257 10.609 6.790 5.095 1.00 25.54 H new ATOM 0 HB2 TRP C 257 10.830 6.213 2.769 1.00 74.23 H new ATOM 0 HB3 TRP C 257 12.323 6.086 3.679 1.00 74.23 H new ATOM 0 HD1 TRP C 257 13.476 3.688 3.823 1.00 33.51 H new ATOM 0 HE1 TRP C 257 13.161 1.516 2.463 1.00 2.40 H new ATOM 0 HE3 TRP C 257 8.974 4.782 1.687 1.00 22.33 H new ATOM 0 HZ2 TRP C 257 11.231 0.461 0.713 1.00 42.35 H new ATOM 0 HZ3 TRP C 257 7.961 3.142 0.165 1.00 2.33 H new ATOM 0 HH2 TRP C 257 9.083 1.012 -0.311 1.00 62.13 H new ATOM 2660 N ILE C 258 8.745 4.134 5.110 1.00 4.53 N ATOM 2661 CA ILE C 258 7.362 3.667 5.082 1.00 31.52 C ATOM 2662 C ILE C 258 6.511 4.524 6.029 1.00 41.02 C ATOM 2663 O ILE C 258 5.389 4.882 5.699 1.00 33.55 O ATOM 2664 CB ILE C 258 7.245 2.153 5.458 1.00 53.21 C ATOM 2665 CG1 ILE C 258 7.917 1.263 4.394 1.00 23.52 C ATOM 2666 CG2 ILE C 258 5.788 1.745 5.647 1.00 11.53 C ATOM 2667 CD1 ILE C 258 7.243 1.310 3.050 1.00 51.44 C ATOM 0 H ILE C 258 9.406 3.460 5.497 1.00 4.53 H new ATOM 0 HA ILE C 258 6.992 3.771 4.062 1.00 31.52 H new ATOM 0 HB ILE C 258 7.767 2.009 6.404 1.00 53.21 H new ATOM 0 HG12 ILE C 258 8.956 1.571 4.280 1.00 23.52 H new ATOM 0 HG13 ILE C 258 7.927 0.233 4.749 1.00 23.52 H new ATOM 0 HG21 ILE C 258 5.737 0.688 5.908 1.00 11.53 H new ATOM 0 HG22 ILE C 258 5.345 2.338 6.447 1.00 11.53 H new ATOM 0 HG23 ILE C 258 5.239 1.917 4.721 1.00 11.53 H new ATOM 0 HD11 ILE C 258 7.772 0.659 2.354 1.00 51.44 H new ATOM 0 HD12 ILE C 258 6.211 0.973 3.148 1.00 51.44 H new ATOM 0 HD13 ILE C 258 7.256 2.332 2.672 1.00 51.44 H new ATOM 2679 N GLN C 259 7.084 4.864 7.194 1.00 61.54 N ATOM 2680 CA GLN C 259 6.434 5.736 8.186 1.00 21.01 C ATOM 2681 C GLN C 259 5.980 7.022 7.515 1.00 42.12 C ATOM 2682 O GLN C 259 4.812 7.376 7.550 1.00 41.50 O ATOM 2683 CB GLN C 259 7.466 6.126 9.256 1.00 12.23 C ATOM 2684 CG GLN C 259 8.091 4.974 10.015 1.00 60.41 C ATOM 2685 CD GLN C 259 7.149 4.328 10.968 1.00 44.52 C ATOM 2686 OE1 GLN C 259 7.089 4.720 12.133 1.00 45.25 O ATOM 2687 NE2 GLN C 259 6.407 3.357 10.506 1.00 75.34 N ATOM 0 H GLN C 259 8.010 4.543 7.475 1.00 61.54 H new ATOM 0 HA GLN C 259 5.586 5.208 8.622 1.00 21.01 H new ATOM 0 HB2 GLN C 259 8.262 6.696 8.776 1.00 12.23 H new ATOM 0 HB3 GLN C 259 6.985 6.791 9.973 1.00 12.23 H new ATOM 0 HG2 GLN C 259 8.448 4.229 9.304 1.00 60.41 H new ATOM 0 HG3 GLN C 259 8.962 5.336 10.562 1.00 60.41 H new ATOM 0 HE21 GLN C 259 6.494 3.068 9.532 1.00 75.34 H new ATOM 0 HE22 GLN C 259 5.741 2.888 11.120 1.00 75.34 H new ATOM 2696 N GLU C 260 6.917 7.659 6.834 1.00 54.24 N ATOM 2697 CA GLU C 260 6.681 8.914 6.164 1.00 23.34 C ATOM 2698 C GLU C 260 5.807 8.737 4.947 1.00 23.12 C ATOM 2699 O GLU C 260 5.012 9.615 4.606 1.00 44.13 O ATOM 2700 CB GLU C 260 8.007 9.533 5.766 1.00 42.21 C ATOM 2701 CG GLU C 260 8.882 9.910 6.941 1.00 1.10 C ATOM 2702 CD GLU C 260 8.223 10.947 7.820 1.00 71.54 C ATOM 2703 OE1 GLU C 260 8.217 12.134 7.441 1.00 5.31 O ATOM 2704 OE2 GLU C 260 7.674 10.588 8.884 1.00 21.14 O ATOM 0 H GLU C 260 7.871 7.311 6.733 1.00 54.24 H new ATOM 0 HA GLU C 260 6.157 9.575 6.854 1.00 23.34 H new ATOM 0 HB2 GLU C 260 8.549 8.832 5.132 1.00 42.21 H new ATOM 0 HB3 GLU C 260 7.816 10.423 5.167 1.00 42.21 H new ATOM 0 HG2 GLU C 260 9.102 9.020 7.531 1.00 1.10 H new ATOM 0 HG3 GLU C 260 9.835 10.294 6.576 1.00 1.10 H new ATOM 2711 N TYR C 261 5.968 7.613 4.297 1.00 62.15 N ATOM 2712 CA TYR C 261 5.199 7.273 3.122 1.00 40.00 C ATOM 2713 C TYR C 261 3.715 7.186 3.479 1.00 62.03 C ATOM 2714 O TYR C 261 2.880 7.834 2.854 1.00 51.14 O ATOM 2715 CB TYR C 261 5.685 5.941 2.550 1.00 73.00 C ATOM 2716 CG TYR C 261 5.084 5.583 1.223 1.00 11.51 C ATOM 2717 CD1 TYR C 261 3.832 4.995 1.135 1.00 43.51 C ATOM 2718 CD2 TYR C 261 5.773 5.839 0.050 1.00 45.31 C ATOM 2719 CE1 TYR C 261 3.287 4.676 -0.070 1.00 23.30 C ATOM 2720 CE2 TYR C 261 5.232 5.523 -1.166 1.00 73.13 C ATOM 2721 CZ TYR C 261 3.991 4.941 -1.223 1.00 50.10 C ATOM 2722 OH TYR C 261 3.459 4.621 -2.427 1.00 23.13 O ATOM 0 H TYR C 261 6.643 6.899 4.570 1.00 62.15 H new ATOM 0 HA TYR C 261 5.334 8.049 2.369 1.00 40.00 H new ATOM 0 HB2 TYR C 261 6.769 5.977 2.447 1.00 73.00 H new ATOM 0 HB3 TYR C 261 5.459 5.149 3.264 1.00 73.00 H new ATOM 0 HD1 TYR C 261 3.279 4.786 2.039 1.00 43.51 H new ATOM 0 HD2 TYR C 261 6.751 6.295 0.096 1.00 45.31 H new ATOM 0 HE1 TYR C 261 2.310 4.219 -0.122 1.00 23.30 H new ATOM 0 HE2 TYR C 261 5.778 5.730 -2.075 1.00 73.13 H new ATOM 0 HH TYR C 261 3.148 3.692 -2.411 1.00 23.13 H new ATOM 2732 N LEU C 262 3.403 6.386 4.489 1.00 25.35 N ATOM 2733 CA LEU C 262 2.029 6.233 4.955 1.00 63.53 C ATOM 2734 C LEU C 262 1.492 7.581 5.408 1.00 3.44 C ATOM 2735 O LEU C 262 0.394 7.981 5.023 1.00 34.20 O ATOM 2736 CB LEU C 262 1.953 5.212 6.094 1.00 54.34 C ATOM 2737 CG LEU C 262 2.500 3.814 5.771 1.00 3.42 C ATOM 2738 CD1 LEU C 262 2.368 2.898 6.967 1.00 0.24 C ATOM 2739 CD2 LEU C 262 1.814 3.206 4.557 1.00 43.21 C ATOM 0 H LEU C 262 4.085 5.830 5.004 1.00 25.35 H new ATOM 0 HA LEU C 262 1.416 5.863 4.133 1.00 63.53 H new ATOM 0 HB2 LEU C 262 2.500 5.608 6.949 1.00 54.34 H new ATOM 0 HB3 LEU C 262 0.912 5.113 6.400 1.00 54.34 H new ATOM 0 HG LEU C 262 3.557 3.926 5.531 1.00 3.42 H new ATOM 0 HD11 LEU C 262 2.762 1.913 6.716 1.00 0.24 H new ATOM 0 HD12 LEU C 262 2.930 3.311 7.805 1.00 0.24 H new ATOM 0 HD13 LEU C 262 1.317 2.809 7.243 1.00 0.24 H new ATOM 0 HD21 LEU C 262 2.229 2.217 4.362 1.00 43.21 H new ATOM 0 HD22 LEU C 262 0.745 3.119 4.749 1.00 43.21 H new ATOM 0 HD23 LEU C 262 1.976 3.846 3.689 1.00 43.21 H new ATOM 2751 N GLU C 263 2.291 8.288 6.198 1.00 70.01 N ATOM 2752 CA GLU C 263 1.959 9.644 6.644 1.00 43.13 C ATOM 2753 C GLU C 263 1.612 10.595 5.482 1.00 30.02 C ATOM 2754 O GLU C 263 0.569 11.258 5.524 1.00 0.34 O ATOM 2755 CB GLU C 263 3.101 10.218 7.480 1.00 20.04 C ATOM 2756 CG GLU C 263 3.207 9.599 8.860 1.00 72.54 C ATOM 2757 CD GLU C 263 2.135 10.105 9.791 1.00 13.31 C ATOM 2758 OE1 GLU C 263 1.000 9.612 9.743 1.00 25.10 O ATOM 2759 OE2 GLU C 263 2.414 11.046 10.570 1.00 3.11 O ATOM 0 H GLU C 263 3.185 7.943 6.549 1.00 70.01 H new ATOM 0 HA GLU C 263 1.061 9.563 7.256 1.00 43.13 H new ATOM 0 HB2 GLU C 263 4.041 10.068 6.949 1.00 20.04 H new ATOM 0 HB3 GLU C 263 2.961 11.294 7.582 1.00 20.04 H new ATOM 0 HG2 GLU C 263 3.133 8.515 8.777 1.00 72.54 H new ATOM 0 HG3 GLU C 263 4.187 9.820 9.282 1.00 72.54 H new ATOM 2766 N LYS C 264 2.451 10.636 4.420 1.00 60.31 N ATOM 2767 CA LYS C 264 2.223 11.572 3.297 1.00 23.31 C ATOM 2768 C LYS C 264 1.021 11.204 2.462 1.00 23.40 C ATOM 2769 O LYS C 264 0.597 11.952 1.583 1.00 43.02 O ATOM 2770 CB LYS C 264 3.413 11.715 2.397 1.00 14.33 C ATOM 2771 CG LYS C 264 3.741 10.513 1.573 1.00 53.21 C ATOM 2772 CD LYS C 264 4.848 10.812 0.654 1.00 2.34 C ATOM 2773 CE LYS C 264 4.467 11.840 -0.385 1.00 51.21 C ATOM 2774 NZ LYS C 264 3.279 11.443 -1.194 1.00 34.21 N ATOM 0 H LYS C 264 3.275 10.044 4.319 1.00 60.31 H new ATOM 0 HA LYS C 264 2.037 12.531 3.781 1.00 23.31 H new ATOM 0 HB2 LYS C 264 3.242 12.558 1.727 1.00 14.33 H new ATOM 0 HB3 LYS C 264 4.281 11.964 3.007 1.00 14.33 H new ATOM 0 HG2 LYS C 264 4.013 9.681 2.223 1.00 53.21 H new ATOM 0 HG3 LYS C 264 2.863 10.201 1.007 1.00 53.21 H new ATOM 0 HD2 LYS C 264 5.703 11.174 1.224 1.00 2.34 H new ATOM 0 HD3 LYS C 264 5.162 9.895 0.156 1.00 2.34 H new ATOM 0 HE2 LYS C 264 4.261 12.789 0.110 1.00 51.21 H new ATOM 0 HE3 LYS C 264 5.314 12.005 -1.051 1.00 51.21 H new ATOM 0 HZ1 LYS C 264 3.149 12.118 -1.974 1.00 34.21 H new ATOM 0 HZ2 LYS C 264 3.426 10.490 -1.583 1.00 34.21 H new ATOM 0 HZ3 LYS C 264 2.432 11.444 -0.590 1.00 34.21 H new ATOM 2788 N CYS C 265 0.511 10.075 2.713 1.00 12.51 N ATOM 2789 CA CYS C 265 -0.666 9.613 2.025 1.00 35.21 C ATOM 2790 C CYS C 265 -1.902 9.779 2.891 1.00 43.44 C ATOM 2791 O CYS C 265 -2.960 10.136 2.396 1.00 4.35 O ATOM 2792 CB CYS C 265 -0.507 8.164 1.498 1.00 53.23 C ATOM 2793 SG CYS C 265 0.737 7.977 0.166 1.00 33.23 S ATOM 0 H CYS C 265 0.882 9.421 3.402 1.00 12.51 H new ATOM 0 HA CYS C 265 -0.798 10.241 1.144 1.00 35.21 H new ATOM 0 HB2 CYS C 265 -0.231 7.516 2.330 1.00 53.23 H new ATOM 0 HB3 CYS C 265 -1.472 7.816 1.129 1.00 53.23 H new ATOM 2798 N LEU C 266 -1.738 9.592 4.189 1.00 52.42 N ATOM 2799 CA LEU C 266 -2.817 9.666 5.139 1.00 34.30 C ATOM 2800 C LEU C 266 -3.290 11.129 5.317 1.00 34.24 C ATOM 2801 O LEU C 266 -4.402 11.496 4.911 1.00 73.13 O ATOM 2802 CB LEU C 266 -2.299 9.066 6.465 1.00 5.31 C ATOM 2803 CG LEU C 266 -3.286 8.739 7.599 1.00 61.22 C ATOM 2804 CD1 LEU C 266 -2.529 8.057 8.703 1.00 71.14 C ATOM 2805 CD2 LEU C 266 -3.977 9.969 8.155 1.00 43.12 C ATOM 0 H LEU C 266 -0.834 9.381 4.612 1.00 52.42 H new ATOM 0 HA LEU C 266 -3.684 9.104 4.791 1.00 34.30 H new ATOM 0 HB2 LEU C 266 -1.771 8.145 6.219 1.00 5.31 H new ATOM 0 HB3 LEU C 266 -1.561 9.759 6.868 1.00 5.31 H new ATOM 0 HG LEU C 266 -4.064 8.096 7.188 1.00 61.22 H new ATOM 0 HD11 LEU C 266 -3.212 7.817 9.518 1.00 71.14 H new ATOM 0 HD12 LEU C 266 -2.080 7.139 8.323 1.00 71.14 H new ATOM 0 HD13 LEU C 266 -1.745 8.720 9.070 1.00 71.14 H new ATOM 0 HD21 LEU C 266 -4.660 9.674 8.951 1.00 43.12 H new ATOM 0 HD22 LEU C 266 -3.231 10.657 8.553 1.00 43.12 H new ATOM 0 HD23 LEU C 266 -4.537 10.462 7.360 1.00 43.12 H new ATOM 2817 N ASN C 267 -2.454 11.962 5.905 1.00 44.04 N ATOM 2818 CA ASN C 267 -2.854 13.345 6.166 1.00 14.03 C ATOM 2819 C ASN C 267 -1.814 14.291 5.646 1.00 13.45 C ATOM 2820 O ASN C 267 -2.130 15.354 5.133 1.00 61.21 O ATOM 2821 CB ASN C 267 -3.085 13.582 7.662 1.00 13.41 C ATOM 2822 CG ASN C 267 -3.795 14.896 7.928 1.00 12.43 C ATOM 2823 OD1 ASN C 267 -5.020 14.938 7.987 1.00 61.44 O ATOM 2824 ND2 ASN C 267 -3.061 15.954 8.073 1.00 62.44 N ATOM 0 H ASN C 267 -1.511 11.720 6.209 1.00 44.04 H new ATOM 0 HA ASN C 267 -3.794 13.529 5.646 1.00 14.03 H new ATOM 0 HB2 ASN C 267 -3.675 12.762 8.072 1.00 13.41 H new ATOM 0 HB3 ASN C 267 -2.127 13.576 8.182 1.00 13.41 H new ATOM 0 HD21 ASN C 267 -3.499 16.859 8.242 1.00 62.44 H new ATOM 0 HD22 ASN C 267 -2.045 15.881 8.018 1.00 62.44 H new ATOM 3120 N GLY D 319 14.854 -12.354 2.056 1.00 50.23 N ATOM 3121 CA GLY D 319 14.510 -11.244 2.915 1.00 14.20 C ATOM 3122 C GLY D 319 15.726 -10.771 3.655 1.00 74.40 C ATOM 3123 O GLY D 319 16.181 -11.426 4.596 1.00 33.32 O ATOM 0 HA2 GLY D 319 14.096 -10.429 2.321 1.00 14.20 H new ATOM 0 HA3 GLY D 319 13.738 -11.547 3.623 1.00 14.20 H new ATOM 3127 N ASP D 320 16.259 -9.662 3.241 1.00 41.14 N ATOM 3128 CA ASP D 320 17.503 -9.162 3.786 1.00 40.24 C ATOM 3129 C ASP D 320 17.401 -7.621 3.878 1.00 12.03 C ATOM 3130 O ASP D 320 16.315 -7.092 4.142 1.00 1.43 O ATOM 3131 CB ASP D 320 18.641 -9.593 2.836 1.00 2.41 C ATOM 3132 CG ASP D 320 20.054 -9.450 3.411 1.00 32.24 C ATOM 3133 OD1 ASP D 320 20.665 -8.377 3.271 1.00 20.43 O ATOM 3134 OD2 ASP D 320 20.577 -10.416 3.983 1.00 5.23 O ATOM 0 H ASP D 320 15.851 -9.072 2.516 1.00 41.14 H new ATOM 0 HA ASP D 320 17.704 -9.558 4.781 1.00 40.24 H new ATOM 0 HB2 ASP D 320 18.484 -10.634 2.554 1.00 2.41 H new ATOM 0 HB3 ASP D 320 18.575 -9.002 1.923 1.00 2.41 H new ATOM 3163 N ASP D 322 19.107 -5.591 6.143 1.00 33.34 N ATOM 3164 CA ASP D 322 18.872 -5.594 7.583 1.00 70.43 C ATOM 3165 C ASP D 322 17.833 -6.624 7.925 1.00 74.12 C ATOM 3166 O ASP D 322 18.087 -7.552 8.683 1.00 55.32 O ATOM 3167 CB ASP D 322 18.490 -4.240 8.149 1.00 1.00 C ATOM 3168 CG ASP D 322 19.636 -3.260 8.204 1.00 4.30 C ATOM 3169 OD1 ASP D 322 19.890 -2.550 7.208 1.00 73.34 O ATOM 3170 OD2 ASP D 322 20.289 -3.159 9.261 1.00 31.34 O ATOM 0 HA ASP D 322 19.822 -5.848 8.052 1.00 70.43 H new ATOM 0 HB2 ASP D 322 17.689 -3.816 7.543 1.00 1.00 H new ATOM 0 HB3 ASP D 322 18.091 -4.376 9.154 1.00 1.00 H new ATOM 3175 N SER D 323 16.662 -6.449 7.343 1.00 65.41 N ATOM 3176 CA SER D 323 15.539 -7.339 7.472 1.00 74.50 C ATOM 3177 C SER D 323 14.921 -7.317 8.908 1.00 42.11 C ATOM 3178 O SER D 323 14.010 -8.089 9.231 1.00 34.53 O ATOM 3179 CB SER D 323 15.928 -8.757 6.951 1.00 45.51 C ATOM 3180 OG SER D 323 14.845 -9.675 6.978 1.00 64.15 O ATOM 0 H SER D 323 16.466 -5.647 6.744 1.00 65.41 H new ATOM 0 HA SER D 323 14.726 -6.985 6.838 1.00 74.50 H new ATOM 0 HB2 SER D 323 16.301 -8.673 5.930 1.00 45.51 H new ATOM 0 HB3 SER D 323 16.745 -9.149 7.557 1.00 45.51 H new ATOM 0 HG SER D 323 14.008 -9.198 6.799 1.00 64.15 H new ATOM 3186 N MET D 324 15.404 -6.402 9.745 1.00 52.34 N ATOM 3187 CA MET D 324 14.836 -6.179 11.067 1.00 42.03 C ATOM 3188 C MET D 324 15.026 -4.720 11.459 1.00 70.11 C ATOM 3189 O MET D 324 16.154 -4.229 11.454 1.00 74.32 O ATOM 3190 CB MET D 324 15.492 -7.073 12.123 1.00 51.33 C ATOM 3191 CG MET D 324 14.880 -6.913 13.505 1.00 73.53 C ATOM 3192 SD MET D 324 15.646 -7.951 14.764 1.00 33.21 S ATOM 3193 CE MET D 324 17.329 -7.335 14.751 1.00 51.03 C ATOM 0 H MET D 324 16.196 -5.798 9.525 1.00 52.34 H new ATOM 0 HA MET D 324 13.776 -6.428 11.023 1.00 42.03 H new ATOM 0 HB2 MET D 324 15.406 -8.114 11.813 1.00 51.33 H new ATOM 0 HB3 MET D 324 16.556 -6.843 12.175 1.00 51.33 H new ATOM 0 HG2 MET D 324 14.961 -5.869 13.809 1.00 73.53 H new ATOM 0 HG3 MET D 324 13.817 -7.148 13.451 1.00 73.53 H new ATOM 0 HE1 MET D 324 17.834 -7.638 15.668 1.00 51.03 H new ATOM 0 HE2 MET D 324 17.860 -7.745 13.892 1.00 51.03 H new ATOM 0 HE3 MET D 324 17.318 -6.247 14.685 1.00 51.03 H new ATOM 3203 N LYS D 325 13.938 -4.020 11.765 1.00 14.40 N ATOM 3204 CA LYS D 325 13.998 -2.645 12.183 1.00 35.54 C ATOM 3205 C LYS D 325 12.672 -2.245 12.856 1.00 65.43 C ATOM 3206 O LYS D 325 11.635 -2.824 12.575 1.00 64.35 O ATOM 3207 CB LYS D 325 14.291 -1.732 10.975 1.00 51.42 C ATOM 3208 CG LYS D 325 14.412 -0.294 11.309 1.00 44.51 C ATOM 3209 CD LYS D 325 15.563 -0.032 12.240 1.00 2.01 C ATOM 3210 CE LYS D 325 15.639 1.423 12.562 1.00 71.35 C ATOM 3211 NZ LYS D 325 16.771 1.752 13.454 1.00 50.23 N ATOM 0 H LYS D 325 12.993 -4.402 11.726 1.00 14.40 H new ATOM 0 HA LYS D 325 14.806 -2.527 12.905 1.00 35.54 H new ATOM 0 HB2 LYS D 325 15.216 -2.062 10.502 1.00 51.42 H new ATOM 0 HB3 LYS D 325 13.496 -1.856 10.240 1.00 51.42 H new ATOM 0 HG2 LYS D 325 14.547 0.282 10.393 1.00 44.51 H new ATOM 0 HG3 LYS D 325 13.486 0.051 11.769 1.00 44.51 H new ATOM 0 HD2 LYS D 325 15.439 -0.609 13.156 1.00 2.01 H new ATOM 0 HD3 LYS D 325 16.495 -0.360 11.780 1.00 2.01 H new ATOM 0 HE2 LYS D 325 15.734 1.991 11.637 1.00 71.35 H new ATOM 0 HE3 LYS D 325 14.707 1.736 13.034 1.00 71.35 H new ATOM 0 HZ1 LYS D 325 16.777 2.774 13.645 1.00 50.23 H new ATOM 0 HZ2 LYS D 325 16.670 1.233 14.349 1.00 50.23 H new ATOM 0 HZ3 LYS D 325 17.664 1.481 12.996 1.00 50.23 H new ATOM 3225 N GLU D 326 12.743 -1.283 13.748 1.00 51.44 N ATOM 3226 CA GLU D 326 11.598 -0.743 14.461 1.00 43.12 C ATOM 3227 C GLU D 326 11.237 0.639 13.866 1.00 42.40 C ATOM 3228 O GLU D 326 12.089 1.261 13.213 1.00 63.43 O ATOM 3229 CB GLU D 326 11.974 -0.620 15.942 1.00 12.25 C ATOM 3230 CG GLU D 326 13.209 0.232 16.183 1.00 5.34 C ATOM 3231 CD GLU D 326 13.608 0.278 17.623 1.00 32.42 C ATOM 3232 OE1 GLU D 326 14.404 -0.570 18.048 1.00 3.43 O ATOM 3233 OE2 GLU D 326 13.156 1.177 18.342 1.00 31.23 O ATOM 0 H GLU D 326 13.624 -0.839 14.008 1.00 51.44 H new ATOM 0 HA GLU D 326 10.730 -1.395 14.362 1.00 43.12 H new ATOM 0 HB2 GLU D 326 11.134 -0.191 16.488 1.00 12.25 H new ATOM 0 HB3 GLU D 326 12.144 -1.616 16.350 1.00 12.25 H new ATOM 0 HG2 GLU D 326 14.037 -0.161 15.593 1.00 5.34 H new ATOM 0 HG3 GLU D 326 13.020 1.246 15.830 1.00 5.34 H new ATOM 3240 N PRO D 327 9.980 1.130 14.066 1.00 54.42 N ATOM 3241 CA PRO D 327 9.505 2.436 13.535 1.00 51.00 C ATOM 3242 C PRO D 327 10.294 3.650 14.029 1.00 53.51 C ATOM 3243 O PRO D 327 11.280 3.540 14.767 1.00 63.03 O ATOM 3244 CB PRO D 327 8.074 2.531 14.090 1.00 72.31 C ATOM 3245 CG PRO D 327 8.080 1.618 15.250 1.00 72.52 C ATOM 3246 CD PRO D 327 8.894 0.462 14.795 1.00 14.32 C ATOM 0 HA PRO D 327 9.605 2.459 12.450 1.00 51.00 H new ATOM 0 HB2 PRO D 327 7.827 3.551 14.386 1.00 72.31 H new ATOM 0 HB3 PRO D 327 7.337 2.228 13.347 1.00 72.31 H new ATOM 0 HG2 PRO D 327 8.517 2.092 16.129 1.00 72.52 H new ATOM 0 HG3 PRO D 327 7.070 1.312 15.522 1.00 72.52 H new ATOM 0 HD2 PRO D 327 9.266 -0.131 15.631 1.00 14.32 H new ATOM 0 HD3 PRO D 327 8.325 -0.212 14.154 1.00 14.32 H new