USER MOD reduce.3.24.130724 H: found=0, std=0, add=1059, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 1067 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: C 216 SER OG : rot 180:sc= 0.148 USER MOD Set 1.2: C 217 HIS : no HD1:sc=-0.00117 X(o=0.15,f=0.15) USER MOD Set 2.1: A 16 SER OG : rot 112:sc= -0.16 USER MOD Set 2.2: A 17 HIS : no HD1:sc=-0.00992 X(o=-0.17,f=-0.14) USER MOD Single : A 22 ASN : amide:sc= -0.373 K(o=-0.37,f=-3.7!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 HIS :FLIP no HD1:sc= -0.782 F(o=-2,f=-0.78) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 31 THR OG1 : rot 45:sc= 0.292 USER MOD Single : A 33 ASN : amide:sc= -0.0417 X(o=-0.042,f=-0.41) USER MOD Single : A 37 GLN : amide:sc= -1.79 K(o=-1.8,f=-7.1!) USER MOD Single : A 43 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0662) USER MOD Single : A 48 GLN : amide:sc= -0.889 K(o=-0.89,f=-2.3) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ -132:sc= -0.544 (180deg=-2.59!) USER MOD Single : A 59 GLN : amide:sc= -1.07 X(o=-1.1,f=-1.5) USER MOD Single : A 61 TYR OH : rot 71:sc= -2.54! USER MOD Single : A 64 LYS NZ :NH3+ 178:sc= -0.27 (180deg=-0.28) USER MOD Single : A 67 ASN : amide:sc= -0.0287 X(o=-0.029,f=0) USER MOD Single : B 123 SER OG : rot 24:sc= 0.537 USER MOD Single : B 124 MET CE :methyl 158:sc= -0.223 (180deg=-0.992) USER MOD Single : B 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 222 ASN : amide:sc= -0.0548 K(o=-0.055,f=-0.8) USER MOD Single : C 224 LYS NZ :NH3+ 168:sc= 1.24 (180deg=1.17) USER MOD Single : C 225 HIS :FLIP no HD1:sc= -1.02 F(o=-2.1,f=-1) USER MOD Single : C 227 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 230 ASN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : C 231 THR OG1 : rot 130:sc= -0.56 USER MOD Single : C 233 ASN : amide:sc= -0.088 K(o=-0.088,f=-0.63) USER MOD Single : C 237 GLN : amide:sc= -0.684! K(o=-0.68!,f=-2.3) USER MOD Single : C 243 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0354) USER MOD Single : C 248 GLN : amide:sc= -0.635 K(o=-0.64,f=-1.5) USER MOD Single : C 254 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 256 LYS NZ :NH3+ -144:sc= -0.308 (180deg=-1.93!) USER MOD Single : C 259 GLN : amide:sc= -4.46! C(o=-4.5!,f=-5.9!) USER MOD Single : C 261 TYR OH : rot 180:sc= 0 USER MOD Single : C 264 LYS NZ :NH3+ -175:sc= 0.823 (180deg=0.755) USER MOD Single : C 267 ASN : amide:sc= -0.018 X(o=-0.018,f=0) USER MOD Single : D 323 SER OG : rot 69:sc= 1.28 USER MOD Single : D 324 MET CE :methyl 160:sc= -0.137 (180deg=-0.621) USER MOD Single : D 325 LYS NZ :NH3+ -105:sc= 0.0412 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 115 N ARG A 8 3.283 10.024 -13.914 1.00 64.35 N ATOM 116 CA ARG A 8 1.928 9.603 -14.172 1.00 45.12 C ATOM 117 C ARG A 8 1.121 9.411 -12.921 1.00 11.33 C ATOM 118 O ARG A 8 1.626 8.951 -11.899 1.00 3.25 O ATOM 119 CB ARG A 8 1.905 8.270 -14.941 1.00 51.41 C ATOM 120 CG ARG A 8 2.232 8.334 -16.419 1.00 54.54 C ATOM 121 CD ARG A 8 2.184 6.939 -17.016 1.00 4.35 C ATOM 122 NE ARG A 8 2.165 6.947 -18.482 1.00 70.30 N ATOM 123 CZ ARG A 8 2.648 5.976 -19.259 1.00 25.34 C ATOM 124 NH1 ARG A 8 3.464 5.047 -18.766 1.00 22.20 N ATOM 125 NH2 ARG A 8 2.363 5.979 -20.551 1.00 10.44 N ATOM 0 HA ARG A 8 1.485 10.407 -14.759 1.00 45.12 H new ATOM 0 HB2 ARG A 8 2.611 7.590 -14.465 1.00 51.41 H new ATOM 0 HB3 ARG A 8 0.914 7.830 -14.830 1.00 51.41 H new ATOM 0 HG2 ARG A 8 1.521 8.983 -16.930 1.00 54.54 H new ATOM 0 HG3 ARG A 8 3.221 8.768 -16.564 1.00 54.54 H new ATOM 0 HD2 ARG A 8 3.049 6.372 -16.672 1.00 4.35 H new ATOM 0 HD3 ARG A 8 1.297 6.422 -16.649 1.00 4.35 H new ATOM 0 HE ARG A 8 1.751 7.757 -18.943 1.00 70.30 H new ATOM 0 HH11 ARG A 8 3.728 5.071 -17.781 1.00 22.20 H new ATOM 0 HH12 ARG A 8 3.825 4.311 -19.373 1.00 22.20 H new ATOM 0 HH21 ARG A 8 1.780 6.718 -20.943 1.00 10.44 H new ATOM 0 HH22 ARG A 8 2.727 5.242 -21.155 1.00 10.44 H new ATOM 139 N CYS A 9 -0.123 9.781 -13.006 1.00 2.33 N ATOM 140 CA CYS A 9 -1.083 9.402 -12.026 1.00 61.11 C ATOM 141 C CYS A 9 -1.927 8.335 -12.722 1.00 42.14 C ATOM 142 O CYS A 9 -2.382 8.566 -13.846 1.00 64.25 O ATOM 143 CB CYS A 9 -1.948 10.611 -11.622 1.00 13.44 C ATOM 144 SG CYS A 9 -3.247 10.248 -10.401 1.00 22.12 S ATOM 0 H CYS A 9 -0.496 10.356 -13.761 1.00 2.33 H new ATOM 0 HA CYS A 9 -0.625 9.034 -11.108 1.00 61.11 H new ATOM 0 HB2 CYS A 9 -1.297 11.387 -11.219 1.00 13.44 H new ATOM 0 HB3 CYS A 9 -2.415 11.021 -12.517 1.00 13.44 H new ATOM 149 N PRO A 10 -2.161 7.174 -12.103 1.00 31.11 N ATOM 150 CA PRO A 10 -2.836 6.086 -12.768 1.00 1.31 C ATOM 151 C PRO A 10 -4.352 6.197 -12.762 1.00 22.33 C ATOM 152 O PRO A 10 -4.993 6.067 -13.797 1.00 31.21 O ATOM 153 CB PRO A 10 -2.381 4.834 -11.998 1.00 35.42 C ATOM 154 CG PRO A 10 -1.627 5.322 -10.794 1.00 72.52 C ATOM 155 CD PRO A 10 -1.763 6.818 -10.747 1.00 53.41 C ATOM 0 HA PRO A 10 -2.579 6.071 -13.827 1.00 1.31 H new ATOM 0 HB2 PRO A 10 -3.238 4.230 -11.700 1.00 35.42 H new ATOM 0 HB3 PRO A 10 -1.748 4.204 -12.623 1.00 35.42 H new ATOM 0 HG2 PRO A 10 -2.026 4.873 -9.885 1.00 72.52 H new ATOM 0 HG3 PRO A 10 -0.577 5.035 -10.857 1.00 72.52 H new ATOM 0 HD2 PRO A 10 -2.510 7.129 -10.016 1.00 53.41 H new ATOM 0 HD3 PRO A 10 -0.824 7.296 -10.467 1.00 53.41 H new ATOM 163 N CYS A 11 -4.920 6.456 -11.622 1.00 11.12 N ATOM 164 CA CYS A 11 -6.343 6.430 -11.499 1.00 74.34 C ATOM 165 C CYS A 11 -6.961 7.794 -11.596 1.00 21.42 C ATOM 166 O CYS A 11 -6.797 8.634 -10.713 1.00 73.15 O ATOM 167 CB CYS A 11 -6.747 5.726 -10.222 1.00 33.33 C ATOM 168 SG CYS A 11 -6.218 3.987 -10.166 1.00 30.34 S ATOM 0 H CYS A 11 -4.418 6.688 -10.765 1.00 11.12 H new ATOM 0 HA CYS A 11 -6.731 5.865 -12.347 1.00 74.34 H new ATOM 0 HB2 CYS A 11 -6.320 6.257 -9.371 1.00 33.33 H new ATOM 0 HB3 CYS A 11 -7.831 5.773 -10.116 1.00 33.33 H new ATOM 173 N ARG A 12 -7.677 8.009 -12.677 1.00 34.50 N ATOM 174 CA ARG A 12 -8.392 9.256 -12.908 1.00 64.03 C ATOM 175 C ARG A 12 -9.670 9.261 -12.070 1.00 31.53 C ATOM 176 O ARG A 12 -10.217 10.312 -11.731 1.00 24.13 O ATOM 177 CB ARG A 12 -8.734 9.385 -14.398 1.00 10.03 C ATOM 178 CG ARG A 12 -9.473 10.661 -14.776 1.00 24.31 C ATOM 179 CD ARG A 12 -9.795 10.698 -16.255 1.00 4.53 C ATOM 180 NE ARG A 12 -10.534 11.904 -16.626 1.00 21.12 N ATOM 181 CZ ARG A 12 -10.779 12.290 -17.882 1.00 62.23 C ATOM 182 NH1 ARG A 12 -10.367 11.540 -18.904 1.00 1.44 N ATOM 183 NH2 ARG A 12 -11.447 13.422 -18.110 1.00 13.34 N ATOM 0 H ARG A 12 -7.784 7.325 -13.426 1.00 34.50 H new ATOM 0 HA ARG A 12 -7.768 10.101 -12.618 1.00 64.03 H new ATOM 0 HB2 ARG A 12 -7.810 9.333 -14.974 1.00 10.03 H new ATOM 0 HB3 ARG A 12 -9.342 8.529 -14.692 1.00 10.03 H new ATOM 0 HG2 ARG A 12 -10.395 10.733 -14.200 1.00 24.31 H new ATOM 0 HG3 ARG A 12 -8.865 11.526 -14.513 1.00 24.31 H new ATOM 0 HD2 ARG A 12 -8.869 10.649 -16.829 1.00 4.53 H new ATOM 0 HD3 ARG A 12 -10.381 9.818 -16.520 1.00 4.53 H new ATOM 0 HE ARG A 12 -10.888 12.493 -15.872 1.00 21.12 H new ATOM 0 HH11 ARG A 12 -9.864 10.670 -18.728 1.00 1.44 H new ATOM 0 HH12 ARG A 12 -10.555 11.836 -19.862 1.00 1.44 H new ATOM 0 HH21 ARG A 12 -11.769 13.991 -17.327 1.00 13.34 H new ATOM 0 HH22 ARG A 12 -11.635 13.719 -19.067 1.00 13.34 H new ATOM 197 N PHE A 13 -10.128 8.077 -11.740 1.00 65.11 N ATOM 198 CA PHE A 13 -11.308 7.899 -10.943 1.00 73.02 C ATOM 199 C PHE A 13 -10.966 7.019 -9.764 1.00 72.31 C ATOM 200 O PHE A 13 -10.332 5.977 -9.932 1.00 74.21 O ATOM 201 CB PHE A 13 -12.415 7.257 -11.767 1.00 20.13 C ATOM 202 CG PHE A 13 -12.834 8.046 -12.974 1.00 54.32 C ATOM 203 CD1 PHE A 13 -13.841 8.984 -12.882 1.00 64.01 C ATOM 204 CD2 PHE A 13 -12.221 7.845 -14.200 1.00 43.04 C ATOM 205 CE1 PHE A 13 -14.231 9.709 -13.986 1.00 71.31 C ATOM 206 CE2 PHE A 13 -12.608 8.567 -15.306 1.00 33.21 C ATOM 207 CZ PHE A 13 -13.612 9.501 -15.200 1.00 63.53 C ATOM 0 H PHE A 13 -9.684 7.203 -12.023 1.00 65.11 H new ATOM 0 HA PHE A 13 -11.662 8.869 -10.595 1.00 73.02 H new ATOM 0 HB2 PHE A 13 -12.083 6.271 -12.091 1.00 20.13 H new ATOM 0 HB3 PHE A 13 -13.285 7.106 -11.128 1.00 20.13 H new ATOM 0 HD1 PHE A 13 -14.329 9.152 -11.933 1.00 64.01 H new ATOM 0 HD2 PHE A 13 -11.431 7.114 -14.289 1.00 43.04 H new ATOM 0 HE1 PHE A 13 -15.021 10.440 -13.901 1.00 71.31 H new ATOM 0 HE2 PHE A 13 -12.123 8.400 -16.257 1.00 33.21 H new ATOM 0 HZ PHE A 13 -13.915 10.070 -16.066 1.00 63.53 H new ATOM 217 N PHE A 14 -11.336 7.453 -8.596 1.00 61.33 N ATOM 218 CA PHE A 14 -11.041 6.743 -7.371 1.00 22.23 C ATOM 219 C PHE A 14 -12.245 6.669 -6.429 1.00 20.11 C ATOM 220 O PHE A 14 -12.858 7.663 -6.135 1.00 13.24 O ATOM 221 CB PHE A 14 -9.790 7.344 -6.690 1.00 11.23 C ATOM 222 CG PHE A 14 -9.719 8.851 -6.762 1.00 50.04 C ATOM 223 CD1 PHE A 14 -10.516 9.647 -5.963 1.00 44.22 C ATOM 224 CD2 PHE A 14 -8.852 9.466 -7.656 1.00 21.53 C ATOM 225 CE1 PHE A 14 -10.454 11.019 -6.051 1.00 44.25 C ATOM 226 CE2 PHE A 14 -8.782 10.838 -7.745 1.00 22.11 C ATOM 227 CZ PHE A 14 -9.586 11.618 -6.941 1.00 73.22 C ATOM 0 H PHE A 14 -11.857 8.319 -8.457 1.00 61.33 H new ATOM 0 HA PHE A 14 -10.815 5.709 -7.631 1.00 22.23 H new ATOM 0 HB2 PHE A 14 -9.776 7.039 -5.644 1.00 11.23 H new ATOM 0 HB3 PHE A 14 -8.898 6.925 -7.156 1.00 11.23 H new ATOM 0 HD1 PHE A 14 -11.196 9.187 -5.261 1.00 44.22 H new ATOM 0 HD2 PHE A 14 -8.223 8.859 -8.291 1.00 21.53 H new ATOM 0 HE1 PHE A 14 -11.086 11.628 -5.422 1.00 44.25 H new ATOM 0 HE2 PHE A 14 -8.100 11.302 -8.442 1.00 22.11 H new ATOM 0 HZ PHE A 14 -9.537 12.695 -7.008 1.00 73.22 H new ATOM 237 N GLU A 15 -12.553 5.480 -6.001 1.00 61.23 N ATOM 238 CA GLU A 15 -13.635 5.172 -5.082 1.00 5.43 C ATOM 239 C GLU A 15 -13.362 5.757 -3.696 1.00 33.42 C ATOM 240 O GLU A 15 -12.275 5.565 -3.129 1.00 74.41 O ATOM 241 CB GLU A 15 -13.774 3.641 -4.978 1.00 60.53 C ATOM 242 CG GLU A 15 -14.416 2.935 -6.182 1.00 23.01 C ATOM 243 CD GLU A 15 -13.872 3.340 -7.559 1.00 42.33 C ATOM 244 OE1 GLU A 15 -12.704 3.012 -7.896 1.00 34.45 O ATOM 245 OE2 GLU A 15 -14.612 4.001 -8.316 1.00 34.45 O ATOM 0 H GLU A 15 -12.037 4.650 -6.292 1.00 61.23 H new ATOM 0 HA GLU A 15 -14.557 5.614 -5.460 1.00 5.43 H new ATOM 0 HB2 GLU A 15 -12.782 3.217 -4.821 1.00 60.53 H new ATOM 0 HB3 GLU A 15 -14.364 3.410 -4.091 1.00 60.53 H new ATOM 0 HG2 GLU A 15 -14.284 1.860 -6.062 1.00 23.01 H new ATOM 0 HG3 GLU A 15 -15.488 3.129 -6.164 1.00 23.01 H new ATOM 252 N SER A 16 -14.336 6.453 -3.139 1.00 72.33 N ATOM 253 CA SER A 16 -14.153 7.060 -1.842 1.00 75.10 C ATOM 254 C SER A 16 -15.025 6.391 -0.771 1.00 22.31 C ATOM 255 O SER A 16 -14.965 6.750 0.394 1.00 42.12 O ATOM 256 CB SER A 16 -14.431 8.548 -1.905 1.00 63.31 C ATOM 257 OG SER A 16 -15.778 8.801 -2.268 1.00 24.14 O ATOM 0 H SER A 16 -15.251 6.609 -3.562 1.00 72.33 H new ATOM 0 HA SER A 16 -13.112 6.911 -1.555 1.00 75.10 H new ATOM 0 HB2 SER A 16 -14.221 9.002 -0.936 1.00 63.31 H new ATOM 0 HB3 SER A 16 -13.762 9.016 -2.628 1.00 63.31 H new ATOM 0 HG SER A 16 -16.254 9.191 -1.506 1.00 24.14 H new ATOM 263 N HIS A 17 -15.861 5.460 -1.173 1.00 44.03 N ATOM 264 CA HIS A 17 -16.656 4.673 -0.236 1.00 41.31 C ATOM 265 C HIS A 17 -16.672 3.238 -0.634 1.00 50.20 C ATOM 266 O HIS A 17 -17.660 2.733 -1.144 1.00 5.21 O ATOM 267 CB HIS A 17 -18.105 5.184 -0.032 1.00 60.41 C ATOM 268 CG HIS A 17 -18.244 6.431 0.772 1.00 72.51 C ATOM 269 ND1 HIS A 17 -18.839 6.459 2.010 1.00 50.35 N ATOM 270 CD2 HIS A 17 -17.898 7.701 0.507 1.00 61.22 C ATOM 271 CE1 HIS A 17 -18.852 7.684 2.462 1.00 40.53 C ATOM 272 NE2 HIS A 17 -18.287 8.463 1.569 1.00 21.22 N ATOM 0 H HIS A 17 -16.014 5.222 -2.153 1.00 44.03 H new ATOM 0 HA HIS A 17 -16.160 4.790 0.727 1.00 41.31 H new ATOM 0 HB2 HIS A 17 -18.552 5.354 -1.012 1.00 60.41 H new ATOM 0 HB3 HIS A 17 -18.684 4.396 0.450 1.00 60.41 H new ATOM 0 HD2 HIS A 17 -17.402 8.055 -0.385 1.00 61.22 H new ATOM 0 HE1 HIS A 17 -19.259 8.003 3.410 1.00 40.53 H new ATOM 0 HE2 HIS A 17 -18.160 9.471 1.655 1.00 21.22 H new ATOM 281 N VAL A 18 -15.564 2.601 -0.483 1.00 74.35 N ATOM 282 CA VAL A 18 -15.480 1.215 -0.795 1.00 45.33 C ATOM 283 C VAL A 18 -15.413 0.483 0.544 1.00 52.04 C ATOM 284 O VAL A 18 -15.137 1.121 1.581 1.00 52.02 O ATOM 285 CB VAL A 18 -14.218 0.902 -1.662 1.00 32.13 C ATOM 286 CG1 VAL A 18 -12.952 0.841 -0.846 1.00 54.41 C ATOM 287 CG2 VAL A 18 -14.405 -0.329 -2.539 1.00 64.33 C ATOM 0 H VAL A 18 -14.698 3.019 -0.143 1.00 74.35 H new ATOM 0 HA VAL A 18 -16.341 0.895 -1.383 1.00 45.33 H new ATOM 0 HB VAL A 18 -14.100 1.747 -2.340 1.00 32.13 H new ATOM 0 HG11 VAL A 18 -12.108 0.621 -1.500 1.00 54.41 H new ATOM 0 HG12 VAL A 18 -12.789 1.800 -0.354 1.00 54.41 H new ATOM 0 HG13 VAL A 18 -13.042 0.058 -0.093 1.00 54.41 H new ATOM 0 HG21 VAL A 18 -13.500 -0.502 -3.121 1.00 64.33 H new ATOM 0 HG22 VAL A 18 -14.604 -1.197 -1.910 1.00 64.33 H new ATOM 0 HG23 VAL A 18 -15.245 -0.170 -3.215 1.00 64.33 H new ATOM 297 N ALA A 19 -15.639 -0.796 0.548 1.00 20.02 N ATOM 298 CA ALA A 19 -15.633 -1.534 1.770 1.00 35.13 C ATOM 299 C ALA A 19 -14.324 -2.250 1.893 1.00 22.05 C ATOM 300 O ALA A 19 -13.989 -3.073 1.042 1.00 53.22 O ATOM 301 CB ALA A 19 -16.789 -2.522 1.801 1.00 55.20 C ATOM 0 H ALA A 19 -15.830 -1.350 -0.287 1.00 20.02 H new ATOM 0 HA ALA A 19 -15.756 -0.852 2.611 1.00 35.13 H new ATOM 0 HB1 ALA A 19 -16.769 -3.076 2.740 1.00 55.20 H new ATOM 0 HB2 ALA A 19 -17.732 -1.981 1.719 1.00 55.20 H new ATOM 0 HB3 ALA A 19 -16.696 -3.218 0.967 1.00 55.20 H new ATOM 307 N ARG A 20 -13.571 -1.951 2.939 1.00 11.34 N ATOM 308 CA ARG A 20 -12.275 -2.583 3.127 1.00 44.15 C ATOM 309 C ARG A 20 -12.383 -4.072 3.402 1.00 33.32 C ATOM 310 O ARG A 20 -11.413 -4.787 3.354 1.00 54.44 O ATOM 311 CB ARG A 20 -11.333 -1.825 4.103 1.00 41.43 C ATOM 312 CG ARG A 20 -11.761 -1.664 5.561 1.00 2.45 C ATOM 313 CD ARG A 20 -11.683 -2.958 6.330 1.00 74.34 C ATOM 314 NE ARG A 20 -11.989 -2.767 7.741 1.00 22.31 N ATOM 315 CZ ARG A 20 -12.506 -3.691 8.549 1.00 53.50 C ATOM 316 NH1 ARG A 20 -12.914 -4.863 8.065 1.00 33.24 N ATOM 317 NH2 ARG A 20 -12.609 -3.442 9.840 1.00 12.52 N ATOM 0 H ARG A 20 -13.831 -1.282 3.664 1.00 11.34 H new ATOM 0 HA ARG A 20 -11.771 -2.500 2.164 1.00 44.15 H new ATOM 0 HB2 ARG A 20 -10.370 -2.336 4.096 1.00 41.43 H new ATOM 0 HB3 ARG A 20 -11.168 -0.828 3.695 1.00 41.43 H new ATOM 0 HG2 ARG A 20 -11.127 -0.920 6.043 1.00 2.45 H new ATOM 0 HG3 ARG A 20 -12.782 -1.284 5.597 1.00 2.45 H new ATOM 0 HD2 ARG A 20 -12.380 -3.678 5.901 1.00 74.34 H new ATOM 0 HD3 ARG A 20 -10.684 -3.382 6.229 1.00 74.34 H new ATOM 0 HE ARG A 20 -11.791 -1.851 8.143 1.00 22.31 H new ATOM 0 HH11 ARG A 20 -12.832 -5.059 7.067 1.00 33.24 H new ATOM 0 HH12 ARG A 20 -13.309 -5.564 8.692 1.00 33.24 H new ATOM 0 HH21 ARG A 20 -12.294 -2.547 10.213 1.00 12.52 H new ATOM 0 HH22 ARG A 20 -13.004 -4.145 10.465 1.00 12.52 H new ATOM 331 N ALA A 21 -13.570 -4.517 3.726 1.00 11.02 N ATOM 332 CA ALA A 21 -13.812 -5.919 3.948 1.00 52.20 C ATOM 333 C ALA A 21 -13.996 -6.666 2.609 1.00 10.31 C ATOM 334 O ALA A 21 -14.009 -7.901 2.575 1.00 15.10 O ATOM 335 CB ALA A 21 -15.019 -6.108 4.847 1.00 33.33 C ATOM 0 H ALA A 21 -14.391 -3.922 3.843 1.00 11.02 H new ATOM 0 HA ALA A 21 -12.942 -6.345 4.447 1.00 52.20 H new ATOM 0 HB1 ALA A 21 -15.191 -7.172 5.007 1.00 33.33 H new ATOM 0 HB2 ALA A 21 -14.838 -5.622 5.806 1.00 33.33 H new ATOM 0 HB3 ALA A 21 -15.897 -5.666 4.376 1.00 33.33 H new ATOM 341 N ASN A 22 -14.143 -5.913 1.511 1.00 51.14 N ATOM 342 CA ASN A 22 -14.342 -6.523 0.189 1.00 40.14 C ATOM 343 C ASN A 22 -13.090 -6.329 -0.692 1.00 21.23 C ATOM 344 O ASN A 22 -13.010 -6.824 -1.825 1.00 21.14 O ATOM 345 CB ASN A 22 -15.579 -5.929 -0.512 1.00 14.13 C ATOM 346 CG ASN A 22 -15.960 -6.704 -1.770 1.00 42.30 C ATOM 347 OD1 ASN A 22 -15.779 -7.921 -1.845 1.00 34.21 O ATOM 348 ND2 ASN A 22 -16.477 -6.019 -2.759 1.00 62.12 N ATOM 0 H ASN A 22 -14.128 -4.893 1.510 1.00 51.14 H new ATOM 0 HA ASN A 22 -14.508 -7.590 0.334 1.00 40.14 H new ATOM 0 HB2 ASN A 22 -16.421 -5.928 0.180 1.00 14.13 H new ATOM 0 HB3 ASN A 22 -15.381 -4.890 -0.774 1.00 14.13 H new ATOM 0 HD21 ASN A 22 -16.743 -6.492 -3.623 1.00 62.12 H new ATOM 0 HD22 ASN A 22 -16.614 -5.013 -2.666 1.00 62.12 H new ATOM 355 N VAL A 23 -12.117 -5.624 -0.175 1.00 2.14 N ATOM 356 CA VAL A 23 -10.881 -5.437 -0.903 1.00 74.01 C ATOM 357 C VAL A 23 -9.892 -6.515 -0.474 1.00 2.30 C ATOM 358 O VAL A 23 -9.881 -6.925 0.689 1.00 10.24 O ATOM 359 CB VAL A 23 -10.252 -4.022 -0.665 1.00 52.22 C ATOM 360 CG1 VAL A 23 -11.194 -2.914 -1.104 1.00 41.30 C ATOM 361 CG2 VAL A 23 -9.864 -3.824 0.787 1.00 23.13 C ATOM 0 H VAL A 23 -12.152 -5.172 0.739 1.00 2.14 H new ATOM 0 HA VAL A 23 -11.103 -5.513 -1.967 1.00 74.01 H new ATOM 0 HB VAL A 23 -9.350 -3.971 -1.274 1.00 52.22 H new ATOM 0 HG11 VAL A 23 -10.726 -1.946 -0.925 1.00 41.30 H new ATOM 0 HG12 VAL A 23 -11.411 -3.021 -2.167 1.00 41.30 H new ATOM 0 HG13 VAL A 23 -12.122 -2.979 -0.536 1.00 41.30 H new ATOM 0 HG21 VAL A 23 -9.431 -2.832 0.916 1.00 23.13 H new ATOM 0 HG22 VAL A 23 -10.749 -3.918 1.416 1.00 23.13 H new ATOM 0 HG23 VAL A 23 -9.132 -4.579 1.074 1.00 23.13 H new ATOM 371 N LYS A 24 -9.113 -7.009 -1.410 1.00 40.34 N ATOM 372 CA LYS A 24 -8.141 -8.029 -1.091 1.00 3.40 C ATOM 373 C LYS A 24 -6.819 -7.419 -0.717 1.00 53.32 C ATOM 374 O LYS A 24 -6.156 -7.874 0.205 1.00 11.44 O ATOM 375 CB LYS A 24 -7.944 -9.013 -2.237 1.00 25.41 C ATOM 376 CG LYS A 24 -9.193 -9.756 -2.572 1.00 42.12 C ATOM 377 CD LYS A 24 -8.972 -10.877 -3.574 1.00 51.44 C ATOM 378 CE LYS A 24 -8.575 -10.379 -4.949 1.00 74.02 C ATOM 379 NZ LYS A 24 -8.456 -11.502 -5.910 1.00 41.22 N ATOM 0 H LYS A 24 -9.133 -6.724 -2.389 1.00 40.34 H new ATOM 0 HA LYS A 24 -8.537 -8.578 -0.237 1.00 3.40 H new ATOM 0 HB2 LYS A 24 -7.598 -8.474 -3.119 1.00 25.41 H new ATOM 0 HB3 LYS A 24 -7.162 -9.724 -1.971 1.00 25.41 H new ATOM 0 HG2 LYS A 24 -9.617 -10.173 -1.658 1.00 42.12 H new ATOM 0 HG3 LYS A 24 -9.927 -9.058 -2.974 1.00 42.12 H new ATOM 0 HD2 LYS A 24 -8.196 -11.544 -3.198 1.00 51.44 H new ATOM 0 HD3 LYS A 24 -9.885 -11.466 -3.658 1.00 51.44 H new ATOM 0 HE2 LYS A 24 -9.316 -9.666 -5.309 1.00 74.02 H new ATOM 0 HE3 LYS A 24 -7.625 -9.848 -4.886 1.00 74.02 H new ATOM 0 HZ1 LYS A 24 -8.183 -11.133 -6.843 1.00 41.22 H new ATOM 0 HZ2 LYS A 24 -7.731 -12.169 -5.576 1.00 41.22 H new ATOM 0 HZ3 LYS A 24 -9.370 -11.993 -5.985 1.00 41.22 H new ATOM 393 N HIS A 25 -6.418 -6.394 -1.445 1.00 34.41 N ATOM 394 CA HIS A 25 -5.162 -5.734 -1.137 1.00 45.44 C ATOM 395 C HIS A 25 -5.183 -4.294 -1.563 1.00 24.00 C ATOM 396 O HIS A 25 -6.044 -3.885 -2.358 1.00 45.43 O ATOM 397 CB HIS A 25 -3.931 -6.451 -1.767 1.00 70.32 C ATOM 398 CG HIS A 25 -3.691 -6.279 -3.260 1.00 44.42 C ATOM 399 ND1 HIS A 25 -3.470 -5.169 -4.014 1.00 55.11 N flip ATOM 400 CD2 HIS A 25 -3.521 -7.332 -4.109 1.00 15.24 C flip ATOM 401 CE1 HIS A 25 -3.172 -5.586 -5.271 1.00 52.44 C flip ATOM 402 NE2 HIS A 25 -3.201 -6.893 -5.297 1.00 22.41 N flip ATOM 0 H HIS A 25 -6.930 -6.006 -2.237 1.00 34.41 H new ATOM 0 HA HIS A 25 -5.055 -5.787 -0.054 1.00 45.44 H new ATOM 0 HB2 HIS A 25 -3.039 -6.106 -1.244 1.00 70.32 H new ATOM 0 HB3 HIS A 25 -4.026 -7.518 -1.565 1.00 70.32 H new ATOM 0 HD2 HIS A 25 -3.634 -8.372 -3.840 1.00 15.24 H new ATOM 0 HE1 HIS A 25 -2.948 -4.945 -6.110 1.00 52.44 H new ATOM 0 HE2 HIS A 25 -3.006 -7.475 -6.112 1.00 22.41 H new ATOM 411 N LEU A 26 -4.197 -3.559 -1.100 1.00 34.40 N ATOM 412 CA LEU A 26 -4.013 -2.178 -1.472 1.00 42.13 C ATOM 413 C LEU A 26 -2.692 -2.073 -2.196 1.00 73.14 C ATOM 414 O LEU A 26 -1.712 -2.619 -1.747 1.00 62.43 O ATOM 415 CB LEU A 26 -3.950 -1.281 -0.221 1.00 73.41 C ATOM 416 CG LEU A 26 -5.155 -1.302 0.719 1.00 74.33 C ATOM 417 CD1 LEU A 26 -4.930 -0.341 1.882 1.00 42.35 C ATOM 418 CD2 LEU A 26 -6.424 -0.945 -0.023 1.00 71.01 C ATOM 0 H LEU A 26 -3.494 -3.908 -0.448 1.00 34.40 H new ATOM 0 HA LEU A 26 -4.846 -1.855 -2.096 1.00 42.13 H new ATOM 0 HB2 LEU A 26 -3.069 -1.566 0.354 1.00 73.41 H new ATOM 0 HB3 LEU A 26 -3.797 -0.253 -0.550 1.00 73.41 H new ATOM 0 HG LEU A 26 -5.266 -2.312 1.113 1.00 74.33 H new ATOM 0 HD11 LEU A 26 -5.795 -0.364 2.545 1.00 42.35 H new ATOM 0 HD12 LEU A 26 -4.040 -0.641 2.435 1.00 42.35 H new ATOM 0 HD13 LEU A 26 -4.794 0.670 1.498 1.00 42.35 H new ATOM 0 HD21 LEU A 26 -7.267 -0.967 0.667 1.00 71.01 H new ATOM 0 HD22 LEU A 26 -6.328 0.054 -0.448 1.00 71.01 H new ATOM 0 HD23 LEU A 26 -6.592 -1.665 -0.824 1.00 71.01 H new ATOM 430 N LYS A 27 -2.663 -1.423 -3.310 1.00 74.52 N ATOM 431 CA LYS A 27 -1.419 -1.238 -4.008 1.00 73.12 C ATOM 432 C LYS A 27 -1.148 0.236 -4.162 1.00 63.44 C ATOM 433 O LYS A 27 -1.934 0.953 -4.781 1.00 62.05 O ATOM 434 CB LYS A 27 -1.392 -2.012 -5.343 1.00 42.50 C ATOM 435 CG LYS A 27 -0.086 -1.875 -6.110 1.00 34.53 C ATOM 436 CD LYS A 27 0.033 -2.858 -7.278 1.00 23.51 C ATOM 437 CE LYS A 27 -1.087 -2.734 -8.288 1.00 10.42 C ATOM 438 NZ LYS A 27 -0.870 -3.627 -9.447 1.00 63.21 N ATOM 0 H LYS A 27 -3.478 -1.009 -3.762 1.00 74.52 H new ATOM 0 HA LYS A 27 -0.605 -1.663 -3.420 1.00 73.12 H new ATOM 0 HB2 LYS A 27 -1.575 -3.068 -5.143 1.00 42.50 H new ATOM 0 HB3 LYS A 27 -2.210 -1.660 -5.972 1.00 42.50 H new ATOM 0 HG2 LYS A 27 -0.000 -0.857 -6.490 1.00 34.53 H new ATOM 0 HG3 LYS A 27 0.748 -2.031 -5.426 1.00 34.53 H new ATOM 0 HD2 LYS A 27 0.986 -2.697 -7.782 1.00 23.51 H new ATOM 0 HD3 LYS A 27 0.047 -3.875 -6.886 1.00 23.51 H new ATOM 0 HE2 LYS A 27 -2.037 -2.978 -7.812 1.00 10.42 H new ATOM 0 HE3 LYS A 27 -1.158 -1.702 -8.630 1.00 10.42 H new ATOM 0 HZ1 LYS A 27 -1.655 -3.518 -10.121 1.00 63.21 H new ATOM 0 HZ2 LYS A 27 0.025 -3.378 -9.915 1.00 63.21 H new ATOM 0 HZ3 LYS A 27 -0.827 -4.614 -9.122 1.00 63.21 H new ATOM 452 N ILE A 28 -0.052 0.678 -3.593 1.00 32.22 N ATOM 453 CA ILE A 28 0.263 2.079 -3.518 1.00 30.23 C ATOM 454 C ILE A 28 1.359 2.425 -4.507 1.00 75.22 C ATOM 455 O ILE A 28 2.379 1.717 -4.604 1.00 35.22 O ATOM 456 CB ILE A 28 0.757 2.465 -2.092 1.00 72.12 C ATOM 457 CG1 ILE A 28 -0.211 1.954 -1.020 1.00 52.15 C ATOM 458 CG2 ILE A 28 0.902 3.983 -1.977 1.00 3.03 C ATOM 459 CD1 ILE A 28 0.209 2.282 0.402 1.00 2.40 C ATOM 0 H ILE A 28 0.648 0.070 -3.168 1.00 32.22 H new ATOM 0 HA ILE A 28 -0.647 2.631 -3.752 1.00 30.23 H new ATOM 0 HB ILE A 28 1.728 1.997 -1.932 1.00 72.12 H new ATOM 0 HG12 ILE A 28 -1.197 2.380 -1.204 1.00 52.15 H new ATOM 0 HG13 ILE A 28 -0.308 0.873 -1.119 1.00 52.15 H new ATOM 0 HG21 ILE A 28 1.248 4.241 -0.976 1.00 3.03 H new ATOM 0 HG22 ILE A 28 1.625 4.336 -2.713 1.00 3.03 H new ATOM 0 HG23 ILE A 28 -0.063 4.456 -2.160 1.00 3.03 H new ATOM 0 HD11 ILE A 28 -0.529 1.886 1.100 1.00 2.40 H new ATOM 0 HD12 ILE A 28 1.181 1.833 0.607 1.00 2.40 H new ATOM 0 HD13 ILE A 28 0.277 3.363 0.521 1.00 2.40 H new ATOM 471 N LEU A 29 1.139 3.476 -5.253 1.00 72.34 N ATOM 472 CA LEU A 29 2.124 4.006 -6.155 1.00 22.11 C ATOM 473 C LEU A 29 2.263 5.507 -5.910 1.00 73.31 C ATOM 474 O LEU A 29 1.396 6.122 -5.260 1.00 33.22 O ATOM 475 CB LEU A 29 1.863 3.668 -7.670 1.00 45.41 C ATOM 476 CG LEU A 29 1.960 2.161 -8.084 1.00 0.12 C ATOM 477 CD1 LEU A 29 0.769 1.329 -7.636 1.00 42.34 C ATOM 478 CD2 LEU A 29 2.233 1.972 -9.566 1.00 71.44 C ATOM 0 H LEU A 29 0.260 3.993 -5.250 1.00 72.34 H new ATOM 0 HA LEU A 29 3.070 3.509 -5.938 1.00 22.11 H new ATOM 0 HB2 LEU A 29 0.868 4.029 -7.932 1.00 45.41 H new ATOM 0 HB3 LEU A 29 2.576 4.232 -8.272 1.00 45.41 H new ATOM 0 HG LEU A 29 2.826 1.783 -7.542 1.00 0.12 H new ATOM 0 HD11 LEU A 29 0.905 0.296 -7.957 1.00 42.34 H new ATOM 0 HD12 LEU A 29 0.689 1.363 -6.549 1.00 42.34 H new ATOM 0 HD13 LEU A 29 -0.142 1.730 -8.079 1.00 42.34 H new ATOM 0 HD21 LEU A 29 2.290 0.907 -9.793 1.00 71.44 H new ATOM 0 HD22 LEU A 29 1.428 2.424 -10.145 1.00 71.44 H new ATOM 0 HD23 LEU A 29 3.178 2.449 -9.826 1.00 71.44 H new ATOM 490 N ASN A 30 3.330 6.089 -6.396 1.00 42.21 N ATOM 491 CA ASN A 30 3.612 7.489 -6.149 1.00 73.23 C ATOM 492 C ASN A 30 3.083 8.333 -7.269 1.00 62.42 C ATOM 493 O ASN A 30 3.434 8.138 -8.427 1.00 14.35 O ATOM 494 CB ASN A 30 5.113 7.728 -6.018 1.00 54.25 C ATOM 495 CG ASN A 30 5.457 9.188 -5.737 1.00 50.15 C ATOM 496 OD1 ASN A 30 4.714 9.917 -5.057 1.00 44.04 O ATOM 497 ND2 ASN A 30 6.558 9.636 -6.284 1.00 32.11 N ATOM 0 H ASN A 30 4.026 5.614 -6.971 1.00 42.21 H new ATOM 0 HA ASN A 30 3.122 7.765 -5.215 1.00 73.23 H new ATOM 0 HB2 ASN A 30 5.507 7.106 -5.214 1.00 54.25 H new ATOM 0 HB3 ASN A 30 5.608 7.413 -6.937 1.00 54.25 H new ATOM 0 HD21 ASN A 30 6.830 10.611 -6.158 1.00 32.11 H new ATOM 0 HD22 ASN A 30 7.145 9.010 -6.836 1.00 32.11 H new ATOM 504 N THR A 31 2.246 9.257 -6.942 1.00 3.11 N ATOM 505 CA THR A 31 1.709 10.122 -7.915 1.00 14.13 C ATOM 506 C THR A 31 2.215 11.546 -7.744 1.00 44.15 C ATOM 507 O THR A 31 2.208 12.086 -6.629 1.00 43.12 O ATOM 508 CB THR A 31 0.192 10.105 -7.856 1.00 25.22 C ATOM 509 OG1 THR A 31 -0.236 10.357 -6.507 1.00 62.34 O ATOM 510 CG2 THR A 31 -0.333 8.771 -8.318 1.00 50.34 C ATOM 0 H THR A 31 1.920 9.428 -5.991 1.00 3.11 H new ATOM 0 HA THR A 31 2.039 9.762 -8.890 1.00 14.13 H new ATOM 0 HB THR A 31 -0.200 10.881 -8.514 1.00 25.22 H new ATOM 0 HG1 THR A 31 0.283 11.099 -6.132 1.00 62.34 H new ATOM 0 HG21 THR A 31 -1.422 8.772 -8.271 1.00 50.34 H new ATOM 0 HG22 THR A 31 -0.015 8.590 -9.345 1.00 50.34 H new ATOM 0 HG23 THR A 31 0.057 7.983 -7.673 1.00 50.34 H new ATOM 518 N PRO A 32 2.719 12.144 -8.826 1.00 44.34 N ATOM 519 CA PRO A 32 3.092 13.559 -8.851 1.00 40.31 C ATOM 520 C PRO A 32 1.857 14.481 -8.988 1.00 34.13 C ATOM 521 O PRO A 32 1.682 15.413 -8.211 1.00 55.35 O ATOM 522 CB PRO A 32 3.989 13.682 -10.102 1.00 52.11 C ATOM 523 CG PRO A 32 4.223 12.279 -10.569 1.00 45.43 C ATOM 524 CD PRO A 32 3.064 11.472 -10.078 1.00 21.11 C ATOM 0 HA PRO A 32 3.586 13.864 -7.928 1.00 40.31 H new ATOM 0 HB2 PRO A 32 3.503 14.277 -10.876 1.00 52.11 H new ATOM 0 HB3 PRO A 32 4.930 14.178 -9.863 1.00 52.11 H new ATOM 0 HG2 PRO A 32 4.292 12.238 -11.656 1.00 45.43 H new ATOM 0 HG3 PRO A 32 5.162 11.890 -10.175 1.00 45.43 H new ATOM 0 HD2 PRO A 32 2.235 11.481 -10.785 1.00 21.11 H new ATOM 0 HD3 PRO A 32 3.335 10.429 -9.917 1.00 21.11 H new ATOM 532 N ASN A 33 0.998 14.198 -9.974 1.00 65.23 N ATOM 533 CA ASN A 33 -0.204 15.028 -10.259 1.00 1.11 C ATOM 534 C ASN A 33 -1.357 14.729 -9.270 1.00 50.01 C ATOM 535 O ASN A 33 -2.351 15.450 -9.205 1.00 52.21 O ATOM 536 CB ASN A 33 -0.667 14.790 -11.716 1.00 5.25 C ATOM 537 CG ASN A 33 -1.843 15.653 -12.155 1.00 21.02 C ATOM 538 OD1 ASN A 33 -2.017 16.781 -11.697 1.00 4.23 O ATOM 539 ND2 ASN A 33 -2.657 15.126 -13.046 1.00 51.34 N ATOM 0 H ASN A 33 1.104 13.398 -10.598 1.00 65.23 H new ATOM 0 HA ASN A 33 0.070 16.075 -10.130 1.00 1.11 H new ATOM 0 HB2 ASN A 33 0.173 14.975 -12.385 1.00 5.25 H new ATOM 0 HB3 ASN A 33 -0.940 13.741 -11.830 1.00 5.25 H new ATOM 0 HD21 ASN A 33 -3.462 15.657 -13.378 1.00 51.34 H new ATOM 0 HD22 ASN A 33 -2.482 14.187 -13.404 1.00 51.34 H new ATOM 546 N CYS A 34 -1.202 13.689 -8.501 1.00 11.12 N ATOM 547 CA CYS A 34 -2.204 13.303 -7.523 1.00 1.04 C ATOM 548 C CYS A 34 -1.534 13.191 -6.162 1.00 41.15 C ATOM 549 O CYS A 34 -0.306 13.104 -6.098 1.00 4.24 O ATOM 550 CB CYS A 34 -2.892 11.985 -7.933 1.00 30.43 C ATOM 551 SG CYS A 34 -3.670 12.048 -9.584 1.00 61.40 S ATOM 0 H CYS A 34 -0.384 13.080 -8.527 1.00 11.12 H new ATOM 0 HA CYS A 34 -2.986 14.060 -7.472 1.00 1.04 H new ATOM 0 HB2 CYS A 34 -2.156 11.181 -7.918 1.00 30.43 H new ATOM 0 HB3 CYS A 34 -3.652 11.736 -7.192 1.00 30.43 H new ATOM 556 N ALA A 35 -2.311 13.229 -5.092 1.00 4.41 N ATOM 557 CA ALA A 35 -1.777 13.186 -3.722 1.00 12.30 C ATOM 558 C ALA A 35 -0.914 11.938 -3.488 1.00 35.31 C ATOM 559 O ALA A 35 0.318 12.010 -3.323 1.00 50.22 O ATOM 560 CB ALA A 35 -2.933 13.203 -2.732 1.00 63.40 C ATOM 0 H ALA A 35 -3.328 13.290 -5.138 1.00 4.41 H new ATOM 0 HA ALA A 35 -1.143 14.060 -3.577 1.00 12.30 H new ATOM 0 HB1 ALA A 35 -2.542 13.171 -1.715 1.00 63.40 H new ATOM 0 HB2 ALA A 35 -3.515 14.114 -2.868 1.00 63.40 H new ATOM 0 HB3 ALA A 35 -3.571 12.336 -2.903 1.00 63.40 H new ATOM 566 N CYS A 36 -1.557 10.828 -3.509 1.00 14.24 N ATOM 567 CA CYS A 36 -0.977 9.545 -3.273 1.00 33.43 C ATOM 568 C CYS A 36 -1.917 8.619 -4.009 1.00 14.31 C ATOM 569 O CYS A 36 -3.021 9.052 -4.346 1.00 31.22 O ATOM 570 CB CYS A 36 -0.991 9.276 -1.736 1.00 1.22 C ATOM 571 SG CYS A 36 -0.096 7.795 -1.160 1.00 51.41 S ATOM 0 H CYS A 36 -2.558 10.782 -3.701 1.00 14.24 H new ATOM 0 HA CYS A 36 0.055 9.432 -3.604 1.00 33.43 H new ATOM 0 HB2 CYS A 36 -0.569 10.146 -1.234 1.00 1.22 H new ATOM 0 HB3 CYS A 36 -2.029 9.194 -1.414 1.00 1.22 H new ATOM 576 N GLN A 37 -1.546 7.412 -4.315 1.00 44.11 N ATOM 577 CA GLN A 37 -2.492 6.591 -5.021 1.00 25.11 C ATOM 578 C GLN A 37 -2.516 5.206 -4.465 1.00 22.23 C ATOM 579 O GLN A 37 -1.483 4.555 -4.354 1.00 11.21 O ATOM 580 CB GLN A 37 -2.192 6.495 -6.504 1.00 31.35 C ATOM 581 CG GLN A 37 -3.418 6.090 -7.294 1.00 71.04 C ATOM 582 CD GLN A 37 -4.287 7.295 -7.646 1.00 11.34 C ATOM 583 OE1 GLN A 37 -4.149 7.845 -8.721 1.00 12.50 O ATOM 584 NE2 GLN A 37 -5.094 7.776 -6.718 1.00 44.13 N ATOM 0 H GLN A 37 -0.644 6.987 -4.102 1.00 44.11 H new ATOM 0 HA GLN A 37 -3.460 7.075 -4.889 1.00 25.11 H new ATOM 0 HB2 GLN A 37 -1.827 7.456 -6.865 1.00 31.35 H new ATOM 0 HB3 GLN A 37 -1.396 5.769 -6.669 1.00 31.35 H new ATOM 0 HG2 GLN A 37 -3.110 5.584 -8.209 1.00 71.04 H new ATOM 0 HG3 GLN A 37 -4.004 5.375 -6.716 1.00 71.04 H new ATOM 0 HE21 GLN A 37 -5.190 7.293 -5.825 1.00 44.13 H new ATOM 0 HE22 GLN A 37 -5.622 8.631 -6.894 1.00 44.13 H new ATOM 593 N ILE A 38 -3.691 4.754 -4.125 1.00 71.03 N ATOM 594 CA ILE A 38 -3.877 3.427 -3.639 1.00 52.43 C ATOM 595 C ILE A 38 -4.924 2.755 -4.508 1.00 62.30 C ATOM 596 O ILE A 38 -6.027 3.254 -4.639 1.00 44.11 O ATOM 597 CB ILE A 38 -4.353 3.431 -2.172 1.00 63.15 C ATOM 598 CG1 ILE A 38 -3.367 4.226 -1.298 1.00 4.40 C ATOM 599 CG2 ILE A 38 -4.504 2.004 -1.658 1.00 74.24 C ATOM 600 CD1 ILE A 38 -3.713 4.253 0.168 1.00 1.43 C ATOM 0 H ILE A 38 -4.548 5.304 -4.180 1.00 71.03 H new ATOM 0 HA ILE A 38 -2.929 2.891 -3.680 1.00 52.43 H new ATOM 0 HB ILE A 38 -5.328 3.915 -2.119 1.00 63.15 H new ATOM 0 HG12 ILE A 38 -2.371 3.799 -1.415 1.00 4.40 H new ATOM 0 HG13 ILE A 38 -3.320 5.251 -1.666 1.00 4.40 H new ATOM 0 HG21 ILE A 38 -4.840 2.024 -0.621 1.00 74.24 H new ATOM 0 HG22 ILE A 38 -5.236 1.474 -2.267 1.00 74.24 H new ATOM 0 HG23 ILE A 38 -3.543 1.492 -1.718 1.00 74.24 H new ATOM 0 HD11 ILE A 38 -2.965 4.834 0.708 1.00 1.43 H new ATOM 0 HD12 ILE A 38 -4.694 4.709 0.302 1.00 1.43 H new ATOM 0 HD13 ILE A 38 -3.730 3.235 0.557 1.00 1.43 H new ATOM 612 N VAL A 39 -4.568 1.670 -5.127 1.00 4.13 N ATOM 613 CA VAL A 39 -5.493 0.941 -5.980 1.00 25.11 C ATOM 614 C VAL A 39 -5.834 -0.386 -5.312 1.00 44.10 C ATOM 615 O VAL A 39 -4.927 -1.132 -4.910 1.00 53.20 O ATOM 616 CB VAL A 39 -4.885 0.675 -7.381 1.00 1.53 C ATOM 617 CG1 VAL A 39 -5.919 0.059 -8.314 1.00 3.34 C ATOM 618 CG2 VAL A 39 -4.306 1.948 -7.978 1.00 70.15 C ATOM 0 H VAL A 39 -3.637 1.257 -5.064 1.00 4.13 H new ATOM 0 HA VAL A 39 -6.391 1.544 -6.115 1.00 25.11 H new ATOM 0 HB VAL A 39 -4.070 -0.039 -7.261 1.00 1.53 H new ATOM 0 HG11 VAL A 39 -5.468 -0.118 -9.290 1.00 3.34 H new ATOM 0 HG12 VAL A 39 -6.267 -0.887 -7.898 1.00 3.34 H new ATOM 0 HG13 VAL A 39 -6.763 0.740 -8.422 1.00 3.34 H new ATOM 0 HG21 VAL A 39 -3.887 1.731 -8.960 1.00 70.15 H new ATOM 0 HG22 VAL A 39 -5.094 2.695 -8.077 1.00 70.15 H new ATOM 0 HG23 VAL A 39 -3.522 2.332 -7.325 1.00 70.15 H new ATOM 628 N ALA A 40 -7.104 -0.700 -5.213 1.00 22.13 N ATOM 629 CA ALA A 40 -7.521 -1.886 -4.509 1.00 70.41 C ATOM 630 C ALA A 40 -8.063 -2.943 -5.433 1.00 61.30 C ATOM 631 O ALA A 40 -8.843 -2.675 -6.375 1.00 75.21 O ATOM 632 CB ALA A 40 -8.535 -1.560 -3.440 1.00 61.45 C ATOM 0 H ALA A 40 -7.865 -0.150 -5.611 1.00 22.13 H new ATOM 0 HA ALA A 40 -6.627 -2.291 -4.035 1.00 70.41 H new ATOM 0 HB1 ALA A 40 -8.830 -2.475 -2.927 1.00 61.45 H new ATOM 0 HB2 ALA A 40 -8.097 -0.867 -2.722 1.00 61.45 H new ATOM 0 HB3 ALA A 40 -9.412 -1.102 -3.898 1.00 61.45 H new ATOM 638 N ARG A 41 -7.663 -4.141 -5.162 1.00 72.15 N ATOM 639 CA ARG A 41 -8.099 -5.264 -5.906 1.00 0.14 C ATOM 640 C ARG A 41 -9.239 -5.895 -5.131 1.00 73.24 C ATOM 641 O ARG A 41 -9.011 -6.434 -4.051 1.00 21.24 O ATOM 642 CB ARG A 41 -6.945 -6.272 -6.029 1.00 61.34 C ATOM 643 CG ARG A 41 -7.239 -7.477 -6.903 1.00 51.13 C ATOM 644 CD ARG A 41 -7.357 -7.089 -8.364 1.00 71.31 C ATOM 645 NE ARG A 41 -7.732 -8.232 -9.204 1.00 14.34 N ATOM 646 CZ ARG A 41 -7.453 -8.363 -10.506 1.00 52.31 C ATOM 647 NH1 ARG A 41 -6.666 -7.483 -11.116 1.00 20.44 N ATOM 648 NH2 ARG A 41 -7.937 -9.393 -11.183 1.00 41.41 N ATOM 0 H ARG A 41 -7.015 -4.365 -4.406 1.00 72.15 H new ATOM 0 HA ARG A 41 -8.420 -4.972 -6.906 1.00 0.14 H new ATOM 0 HB2 ARG A 41 -6.072 -5.756 -6.429 1.00 61.34 H new ATOM 0 HB3 ARG A 41 -6.679 -6.621 -5.031 1.00 61.34 H new ATOM 0 HG2 ARG A 41 -6.446 -8.216 -6.785 1.00 51.13 H new ATOM 0 HG3 ARG A 41 -8.165 -7.948 -6.575 1.00 51.13 H new ATOM 0 HD2 ARG A 41 -8.101 -6.300 -8.471 1.00 71.31 H new ATOM 0 HD3 ARG A 41 -6.407 -6.681 -8.709 1.00 71.31 H new ATOM 0 HE ARG A 41 -8.249 -8.990 -8.758 1.00 14.34 H new ATOM 0 HH11 ARG A 41 -6.271 -6.702 -10.591 1.00 20.44 H new ATOM 0 HH12 ARG A 41 -6.457 -7.588 -12.109 1.00 20.44 H new ATOM 0 HH21 ARG A 41 -8.521 -10.084 -10.712 1.00 41.41 H new ATOM 0 HH22 ARG A 41 -7.726 -9.495 -12.176 1.00 41.41 H new ATOM 662 N LEU A 42 -10.449 -5.788 -5.640 1.00 33.33 N ATOM 663 CA LEU A 42 -11.599 -6.388 -4.976 1.00 42.15 C ATOM 664 C LEU A 42 -11.570 -7.893 -5.134 1.00 62.35 C ATOM 665 O LEU A 42 -10.852 -8.429 -6.000 1.00 25.10 O ATOM 666 CB LEU A 42 -12.931 -5.827 -5.508 1.00 61.13 C ATOM 667 CG LEU A 42 -13.185 -4.325 -5.313 1.00 12.15 C ATOM 668 CD1 LEU A 42 -14.504 -3.923 -5.956 1.00 14.41 C ATOM 669 CD2 LEU A 42 -13.208 -3.978 -3.843 1.00 1.42 C ATOM 0 H LEU A 42 -10.666 -5.295 -6.506 1.00 33.33 H new ATOM 0 HA LEU A 42 -11.533 -6.133 -3.918 1.00 42.15 H new ATOM 0 HB2 LEU A 42 -12.987 -6.044 -6.575 1.00 61.13 H new ATOM 0 HB3 LEU A 42 -13.744 -6.373 -5.028 1.00 61.13 H new ATOM 0 HG LEU A 42 -12.374 -3.777 -5.792 1.00 12.15 H new ATOM 0 HD11 LEU A 42 -14.670 -2.856 -5.809 1.00 14.41 H new ATOM 0 HD12 LEU A 42 -14.470 -4.142 -7.023 1.00 14.41 H new ATOM 0 HD13 LEU A 42 -15.318 -4.483 -5.497 1.00 14.41 H new ATOM 0 HD21 LEU A 42 -13.389 -2.910 -3.724 1.00 1.42 H new ATOM 0 HD22 LEU A 42 -14.002 -4.538 -3.349 1.00 1.42 H new ATOM 0 HD23 LEU A 42 -12.249 -4.236 -3.393 1.00 1.42 H new ATOM 681 N LYS A 43 -12.321 -8.566 -4.298 1.00 22.50 N ATOM 682 CA LYS A 43 -12.430 -10.012 -4.307 1.00 65.33 C ATOM 683 C LYS A 43 -13.012 -10.559 -5.627 1.00 52.11 C ATOM 684 O LYS A 43 -13.467 -9.792 -6.488 1.00 73.12 O ATOM 685 CB LYS A 43 -13.228 -10.421 -3.085 1.00 42.15 C ATOM 686 CG LYS A 43 -12.500 -10.012 -1.816 1.00 12.22 C ATOM 687 CD LYS A 43 -13.365 -10.040 -0.592 1.00 23.01 C ATOM 688 CE LYS A 43 -13.891 -11.425 -0.249 1.00 54.13 C ATOM 689 NZ LYS A 43 -12.809 -12.356 0.094 1.00 3.31 N ATOM 0 H LYS A 43 -12.887 -8.119 -3.576 1.00 22.50 H new ATOM 0 HA LYS A 43 -11.437 -10.459 -4.255 1.00 65.33 H new ATOM 0 HB2 LYS A 43 -14.213 -9.955 -3.113 1.00 42.15 H new ATOM 0 HB3 LYS A 43 -13.386 -11.500 -3.090 1.00 42.15 H new ATOM 0 HG2 LYS A 43 -11.649 -10.677 -1.665 1.00 12.22 H new ATOM 0 HG3 LYS A 43 -12.100 -9.006 -1.945 1.00 12.22 H new ATOM 0 HD2 LYS A 43 -12.795 -9.657 0.254 1.00 23.01 H new ATOM 0 HD3 LYS A 43 -14.209 -9.366 -0.738 1.00 23.01 H new ATOM 0 HE2 LYS A 43 -14.585 -11.352 0.588 1.00 54.13 H new ATOM 0 HE3 LYS A 43 -14.453 -11.819 -1.096 1.00 54.13 H new ATOM 0 HZ1 LYS A 43 -13.215 -13.244 0.451 1.00 3.31 H new ATOM 0 HZ2 LYS A 43 -12.238 -12.552 -0.753 1.00 3.31 H new ATOM 0 HZ3 LYS A 43 -12.206 -11.932 0.828 1.00 3.31 H new ATOM 745 N ARG A 47 -14.949 -6.097 -9.424 1.00 62.44 N ATOM 746 CA ARG A 47 -14.105 -5.349 -10.339 1.00 24.25 C ATOM 747 C ARG A 47 -12.854 -4.832 -9.635 1.00 13.10 C ATOM 748 O ARG A 47 -12.654 -5.086 -8.461 1.00 73.35 O ATOM 749 CB ARG A 47 -14.899 -4.194 -10.942 1.00 34.13 C ATOM 750 CG ARG A 47 -15.421 -3.203 -9.927 1.00 61.31 C ATOM 751 CD ARG A 47 -16.289 -2.171 -10.589 1.00 73.53 C ATOM 752 NE ARG A 47 -15.562 -1.379 -11.585 1.00 70.14 N ATOM 753 CZ ARG A 47 -15.991 -0.232 -12.119 1.00 4.01 C ATOM 754 NH1 ARG A 47 -17.112 0.340 -11.683 1.00 34.22 N ATOM 755 NH2 ARG A 47 -15.281 0.344 -13.077 1.00 55.34 N ATOM 0 HA ARG A 47 -13.782 -6.016 -11.138 1.00 24.25 H new ATOM 0 HB2 ARG A 47 -14.266 -3.667 -11.656 1.00 34.13 H new ATOM 0 HB3 ARG A 47 -15.741 -4.600 -11.502 1.00 34.13 H new ATOM 0 HG2 ARG A 47 -15.991 -3.727 -9.160 1.00 61.31 H new ATOM 0 HG3 ARG A 47 -14.586 -2.715 -9.425 1.00 61.31 H new ATOM 0 HD2 ARG A 47 -17.133 -2.666 -11.069 1.00 73.53 H new ATOM 0 HD3 ARG A 47 -16.699 -1.505 -9.830 1.00 73.53 H new ATOM 0 HE ARG A 47 -14.656 -1.732 -11.895 1.00 70.14 H new ATOM 0 HH11 ARG A 47 -17.651 -0.098 -10.935 1.00 34.22 H new ATOM 0 HH12 ARG A 47 -17.432 1.216 -12.097 1.00 34.22 H new ATOM 0 HH21 ARG A 47 -14.416 -0.088 -13.400 1.00 55.34 H new ATOM 0 HH22 ARG A 47 -15.600 1.220 -13.491 1.00 55.34 H new ATOM 769 N GLN A 48 -12.015 -4.132 -10.351 1.00 34.23 N ATOM 770 CA GLN A 48 -10.827 -3.550 -9.766 1.00 12.01 C ATOM 771 C GLN A 48 -11.095 -2.080 -9.578 1.00 13.24 C ATOM 772 O GLN A 48 -11.562 -1.416 -10.516 1.00 64.23 O ATOM 773 CB GLN A 48 -9.592 -3.745 -10.675 1.00 33.31 C ATOM 774 CG GLN A 48 -9.265 -5.201 -11.039 1.00 42.10 C ATOM 775 CD GLN A 48 -10.279 -5.839 -11.983 1.00 22.40 C ATOM 776 OE1 GLN A 48 -10.895 -5.162 -12.812 1.00 20.33 O ATOM 777 NE2 GLN A 48 -10.479 -7.123 -11.843 1.00 52.51 N ATOM 0 H GLN A 48 -12.130 -3.948 -11.348 1.00 34.23 H new ATOM 0 HA GLN A 48 -10.608 -4.040 -8.817 1.00 12.01 H new ATOM 0 HB2 GLN A 48 -9.748 -3.184 -11.597 1.00 33.31 H new ATOM 0 HB3 GLN A 48 -8.725 -3.309 -10.179 1.00 33.31 H new ATOM 0 HG2 GLN A 48 -8.278 -5.238 -11.501 1.00 42.10 H new ATOM 0 HG3 GLN A 48 -9.211 -5.792 -10.124 1.00 42.10 H new ATOM 0 HE21 GLN A 48 -9.950 -7.649 -11.147 1.00 52.51 H new ATOM 0 HE22 GLN A 48 -11.164 -7.599 -12.430 1.00 52.51 H new ATOM 786 N VAL A 49 -10.810 -1.550 -8.413 1.00 31.24 N ATOM 787 CA VAL A 49 -11.148 -0.165 -8.149 1.00 15.04 C ATOM 788 C VAL A 49 -9.975 0.606 -7.609 1.00 23.11 C ATOM 789 O VAL A 49 -9.041 0.040 -7.050 1.00 72.35 O ATOM 790 CB VAL A 49 -12.401 0.024 -7.227 1.00 34.35 C ATOM 791 CG1 VAL A 49 -13.650 -0.577 -7.851 1.00 64.20 C ATOM 792 CG2 VAL A 49 -12.184 -0.529 -5.830 1.00 51.20 C ATOM 0 H VAL A 49 -10.354 -2.041 -7.644 1.00 31.24 H new ATOM 0 HA VAL A 49 -11.419 0.244 -9.122 1.00 15.04 H new ATOM 0 HB VAL A 49 -12.549 1.100 -7.131 1.00 34.35 H new ATOM 0 HG11 VAL A 49 -14.499 -0.427 -7.183 1.00 64.20 H new ATOM 0 HG12 VAL A 49 -13.849 -0.091 -8.806 1.00 64.20 H new ATOM 0 HG13 VAL A 49 -13.499 -1.644 -8.011 1.00 64.20 H new ATOM 0 HG21 VAL A 49 -13.082 -0.372 -5.233 1.00 51.20 H new ATOM 0 HG22 VAL A 49 -11.970 -1.596 -5.890 1.00 51.20 H new ATOM 0 HG23 VAL A 49 -11.343 -0.016 -5.362 1.00 51.20 H new ATOM 802 N CYS A 50 -10.019 1.872 -7.779 1.00 3.24 N ATOM 803 CA CYS A 50 -8.976 2.729 -7.317 1.00 74.54 C ATOM 804 C CYS A 50 -9.482 3.407 -6.096 1.00 0.24 C ATOM 805 O CYS A 50 -10.626 3.738 -6.035 1.00 60.11 O ATOM 806 CB CYS A 50 -8.620 3.737 -8.383 1.00 70.31 C ATOM 807 SG CYS A 50 -7.960 2.993 -9.909 1.00 41.42 S ATOM 0 H CYS A 50 -10.785 2.356 -8.247 1.00 3.24 H new ATOM 0 HA CYS A 50 -8.072 2.163 -7.092 1.00 74.54 H new ATOM 0 HB2 CYS A 50 -9.507 4.320 -8.629 1.00 70.31 H new ATOM 0 HB3 CYS A 50 -7.883 4.432 -7.981 1.00 70.31 H new ATOM 812 N ILE A 51 -8.666 3.595 -5.119 1.00 13.54 N ATOM 813 CA ILE A 51 -9.154 4.126 -3.883 1.00 71.34 C ATOM 814 C ILE A 51 -8.663 5.540 -3.679 1.00 3.14 C ATOM 815 O ILE A 51 -7.531 5.882 -4.067 1.00 2.13 O ATOM 816 CB ILE A 51 -8.726 3.239 -2.682 1.00 24.32 C ATOM 817 CG1 ILE A 51 -9.077 1.777 -2.947 1.00 54.03 C ATOM 818 CG2 ILE A 51 -9.418 3.690 -1.415 1.00 42.34 C ATOM 819 CD1 ILE A 51 -10.544 1.534 -3.242 1.00 21.24 C ATOM 0 H ILE A 51 -7.666 3.393 -5.144 1.00 13.54 H new ATOM 0 HA ILE A 51 -10.243 4.133 -3.935 1.00 71.34 H new ATOM 0 HB ILE A 51 -7.647 3.338 -2.560 1.00 24.32 H new ATOM 0 HG12 ILE A 51 -8.484 1.420 -3.789 1.00 54.03 H new ATOM 0 HG13 ILE A 51 -8.789 1.183 -2.080 1.00 54.03 H new ATOM 0 HG21 ILE A 51 -9.106 3.057 -0.585 1.00 42.34 H new ATOM 0 HG22 ILE A 51 -9.150 4.725 -1.203 1.00 42.34 H new ATOM 0 HG23 ILE A 51 -10.498 3.614 -1.543 1.00 42.34 H new ATOM 0 HD11 ILE A 51 -10.708 0.471 -3.419 1.00 21.24 H new ATOM 0 HD12 ILE A 51 -11.145 1.858 -2.392 1.00 21.24 H new ATOM 0 HD13 ILE A 51 -10.835 2.098 -4.128 1.00 21.24 H new ATOM 831 N ASP A 52 -9.523 6.363 -3.116 1.00 60.23 N ATOM 832 CA ASP A 52 -9.176 7.725 -2.767 1.00 32.44 C ATOM 833 C ASP A 52 -8.223 7.655 -1.566 1.00 21.41 C ATOM 834 O ASP A 52 -8.580 7.092 -0.534 1.00 1.51 O ATOM 835 CB ASP A 52 -10.443 8.510 -2.336 1.00 22.34 C ATOM 836 CG ASP A 52 -10.223 10.029 -2.269 1.00 22.23 C ATOM 837 OD1 ASP A 52 -9.160 10.468 -1.800 1.00 12.53 O ATOM 838 OD2 ASP A 52 -11.109 10.793 -2.733 1.00 43.14 O ATOM 0 H ASP A 52 -10.483 6.106 -2.887 1.00 60.23 H new ATOM 0 HA ASP A 52 -8.722 8.226 -3.622 1.00 32.44 H new ATOM 0 HB2 ASP A 52 -11.250 8.297 -3.037 1.00 22.34 H new ATOM 0 HB3 ASP A 52 -10.768 8.153 -1.359 1.00 22.34 H new ATOM 843 N PRO A 53 -6.999 8.189 -1.680 1.00 64.14 N ATOM 844 CA PRO A 53 -6.026 8.203 -0.568 1.00 50.10 C ATOM 845 C PRO A 53 -6.414 9.181 0.553 1.00 51.23 C ATOM 846 O PRO A 53 -5.608 9.485 1.436 1.00 74.12 O ATOM 847 CB PRO A 53 -4.743 8.677 -1.237 1.00 4.32 C ATOM 848 CG PRO A 53 -5.212 9.485 -2.386 1.00 32.14 C ATOM 849 CD PRO A 53 -6.442 8.792 -2.892 1.00 64.35 C ATOM 0 HA PRO A 53 -5.955 7.228 -0.087 1.00 50.10 H new ATOM 0 HB2 PRO A 53 -4.133 9.270 -0.555 1.00 4.32 H new ATOM 0 HB3 PRO A 53 -4.130 7.837 -1.564 1.00 4.32 H new ATOM 0 HG2 PRO A 53 -5.436 10.507 -2.081 1.00 32.14 H new ATOM 0 HG3 PRO A 53 -4.448 9.544 -3.161 1.00 32.14 H new ATOM 0 HD2 PRO A 53 -7.139 9.492 -3.352 1.00 64.35 H new ATOM 0 HD3 PRO A 53 -6.202 8.040 -3.644 1.00 64.35 H new ATOM 857 N LYS A 54 -7.616 9.706 0.476 1.00 65.24 N ATOM 858 CA LYS A 54 -8.140 10.575 1.483 1.00 64.15 C ATOM 859 C LYS A 54 -9.410 9.967 2.122 1.00 52.23 C ATOM 860 O LYS A 54 -10.096 10.611 2.928 1.00 52.23 O ATOM 861 CB LYS A 54 -8.397 11.955 0.868 1.00 33.21 C ATOM 862 CG LYS A 54 -7.116 12.596 0.319 1.00 10.04 C ATOM 863 CD LYS A 54 -7.332 13.980 -0.295 1.00 11.00 C ATOM 864 CE LYS A 54 -8.214 13.941 -1.518 1.00 55.30 C ATOM 865 NZ LYS A 54 -8.343 15.276 -2.156 1.00 21.44 N ATOM 0 H LYS A 54 -8.257 9.535 -0.299 1.00 65.24 H new ATOM 0 HA LYS A 54 -7.415 10.692 2.289 1.00 64.15 H new ATOM 0 HB2 LYS A 54 -9.127 11.862 0.064 1.00 33.21 H new ATOM 0 HB3 LYS A 54 -8.834 12.610 1.621 1.00 33.21 H new ATOM 0 HG2 LYS A 54 -6.387 12.676 1.125 1.00 10.04 H new ATOM 0 HG3 LYS A 54 -6.686 11.937 -0.435 1.00 10.04 H new ATOM 0 HD2 LYS A 54 -7.779 14.638 0.450 1.00 11.00 H new ATOM 0 HD3 LYS A 54 -6.366 14.410 -0.562 1.00 11.00 H new ATOM 0 HE2 LYS A 54 -7.803 13.234 -2.238 1.00 55.30 H new ATOM 0 HE3 LYS A 54 -9.203 13.575 -1.240 1.00 55.30 H new ATOM 0 HZ1 LYS A 54 -8.957 15.203 -2.992 1.00 21.44 H new ATOM 0 HZ2 LYS A 54 -8.759 15.946 -1.478 1.00 21.44 H new ATOM 0 HZ3 LYS A 54 -7.403 15.615 -2.445 1.00 21.44 H new ATOM 879 N LEU A 55 -9.688 8.711 1.769 1.00 72.00 N ATOM 880 CA LEU A 55 -10.826 7.964 2.263 1.00 51.33 C ATOM 881 C LEU A 55 -10.626 7.667 3.772 1.00 41.33 C ATOM 882 O LEU A 55 -9.521 7.363 4.194 1.00 61.41 O ATOM 883 CB LEU A 55 -10.872 6.644 1.480 1.00 1.44 C ATOM 884 CG LEU A 55 -12.225 5.983 1.275 1.00 52.42 C ATOM 885 CD1 LEU A 55 -12.092 4.718 0.461 1.00 43.43 C ATOM 886 CD2 LEU A 55 -12.971 5.710 2.555 1.00 23.32 C ATOM 0 H LEU A 55 -9.110 8.181 1.117 1.00 72.00 H new ATOM 0 HA LEU A 55 -11.752 8.524 2.135 1.00 51.33 H new ATOM 0 HB2 LEU A 55 -10.436 6.823 0.497 1.00 1.44 H new ATOM 0 HB3 LEU A 55 -10.226 5.930 1.991 1.00 1.44 H new ATOM 0 HG LEU A 55 -12.824 6.707 0.723 1.00 52.42 H new ATOM 0 HD11 LEU A 55 -13.075 4.265 0.329 1.00 43.43 H new ATOM 0 HD12 LEU A 55 -11.668 4.956 -0.515 1.00 43.43 H new ATOM 0 HD13 LEU A 55 -11.437 4.018 0.980 1.00 43.43 H new ATOM 0 HD21 LEU A 55 -13.926 5.238 2.326 1.00 23.32 H new ATOM 0 HD22 LEU A 55 -12.380 5.046 3.186 1.00 23.32 H new ATOM 0 HD23 LEU A 55 -13.147 6.648 3.081 1.00 23.32 H new ATOM 898 N LYS A 56 -11.719 7.729 4.558 1.00 34.23 N ATOM 899 CA LYS A 56 -11.690 7.488 6.015 1.00 34.21 C ATOM 900 C LYS A 56 -10.843 6.284 6.442 1.00 60.45 C ATOM 901 O LYS A 56 -9.868 6.447 7.177 1.00 75.43 O ATOM 902 CB LYS A 56 -13.097 7.322 6.578 1.00 33.11 C ATOM 903 CG LYS A 56 -13.067 7.056 8.068 1.00 0.12 C ATOM 904 CD LYS A 56 -14.424 6.945 8.737 1.00 21.44 C ATOM 905 CE LYS A 56 -15.291 5.755 8.271 1.00 10.31 C ATOM 906 NZ LYS A 56 -15.883 5.948 6.924 1.00 55.32 N ATOM 0 H LYS A 56 -12.649 7.948 4.200 1.00 34.23 H new ATOM 0 HA LYS A 56 -11.215 8.378 6.427 1.00 34.21 H new ATOM 0 HB2 LYS A 56 -13.679 8.222 6.379 1.00 33.11 H new ATOM 0 HB3 LYS A 56 -13.599 6.499 6.070 1.00 33.11 H new ATOM 0 HG2 LYS A 56 -12.518 6.131 8.244 1.00 0.12 H new ATOM 0 HG3 LYS A 56 -12.507 7.856 8.552 1.00 0.12 H new ATOM 0 HD2 LYS A 56 -14.275 6.866 9.814 1.00 21.44 H new ATOM 0 HD3 LYS A 56 -14.976 7.868 8.559 1.00 21.44 H new ATOM 0 HE2 LYS A 56 -14.682 4.851 8.266 1.00 10.31 H new ATOM 0 HE3 LYS A 56 -16.092 5.595 8.992 1.00 10.31 H new ATOM 0 HZ1 LYS A 56 -16.896 5.714 6.953 1.00 55.32 H new ATOM 0 HZ2 LYS A 56 -15.765 6.939 6.631 1.00 55.32 H new ATOM 0 HZ3 LYS A 56 -15.404 5.326 6.242 1.00 55.32 H new ATOM 920 N TRP A 57 -11.205 5.082 5.987 1.00 31.21 N ATOM 921 CA TRP A 57 -10.498 3.885 6.433 1.00 52.10 C ATOM 922 C TRP A 57 -9.070 3.836 5.941 1.00 43.00 C ATOM 923 O TRP A 57 -8.242 3.217 6.566 1.00 10.02 O ATOM 924 CB TRP A 57 -11.245 2.573 6.141 1.00 10.14 C ATOM 925 CG TRP A 57 -11.460 2.253 4.697 1.00 11.54 C ATOM 926 CD1 TRP A 57 -12.542 2.566 3.943 1.00 1.23 C ATOM 927 CD2 TRP A 57 -10.576 1.523 3.844 1.00 53.20 C ATOM 928 NE1 TRP A 57 -12.390 2.080 2.681 1.00 74.54 N ATOM 929 CE2 TRP A 57 -11.192 1.436 2.590 1.00 72.41 C ATOM 930 CE3 TRP A 57 -9.318 0.930 4.019 1.00 13.21 C ATOM 931 CZ2 TRP A 57 -10.608 0.789 1.519 1.00 61.03 C ATOM 932 CZ3 TRP A 57 -8.742 0.287 2.946 1.00 64.25 C ATOM 933 CH2 TRP A 57 -9.394 0.226 1.707 1.00 43.13 C ATOM 0 H TRP A 57 -11.964 4.915 5.327 1.00 31.21 H new ATOM 0 HA TRP A 57 -10.465 3.972 7.519 1.00 52.10 H new ATOM 0 HB2 TRP A 57 -10.691 1.752 6.597 1.00 10.14 H new ATOM 0 HB3 TRP A 57 -12.217 2.613 6.633 1.00 10.14 H new ATOM 0 HD1 TRP A 57 -13.400 3.121 4.293 1.00 1.23 H new ATOM 0 HE1 TRP A 57 -13.065 2.182 1.923 1.00 74.54 H new ATOM 0 HE3 TRP A 57 -8.813 0.976 4.972 1.00 13.21 H new ATOM 0 HZ2 TRP A 57 -11.105 0.735 0.562 1.00 61.03 H new ATOM 0 HZ3 TRP A 57 -7.774 -0.177 3.061 1.00 64.25 H new ATOM 0 HH2 TRP A 57 -8.915 -0.283 0.883 1.00 43.13 H new ATOM 944 N ILE A 58 -8.797 4.481 4.813 1.00 35.42 N ATOM 945 CA ILE A 58 -7.447 4.537 4.267 1.00 62.04 C ATOM 946 C ILE A 58 -6.510 5.251 5.220 1.00 45.04 C ATOM 947 O ILE A 58 -5.457 4.711 5.564 1.00 43.32 O ATOM 948 CB ILE A 58 -7.409 5.214 2.857 1.00 60.44 C ATOM 949 CG1 ILE A 58 -8.013 4.294 1.791 1.00 72.44 C ATOM 950 CG2 ILE A 58 -5.996 5.642 2.467 1.00 75.32 C ATOM 951 CD1 ILE A 58 -7.218 3.020 1.557 1.00 51.55 C ATOM 0 H ILE A 58 -9.496 4.974 4.257 1.00 35.42 H new ATOM 0 HA ILE A 58 -7.110 3.508 4.145 1.00 62.04 H new ATOM 0 HB ILE A 58 -8.017 6.117 2.917 1.00 60.44 H new ATOM 0 HG12 ILE A 58 -9.028 4.028 2.087 1.00 72.44 H new ATOM 0 HG13 ILE A 58 -8.088 4.842 0.852 1.00 72.44 H new ATOM 0 HG21 ILE A 58 -6.016 6.107 1.481 1.00 75.32 H new ATOM 0 HG22 ILE A 58 -5.617 6.356 3.198 1.00 75.32 H new ATOM 0 HG23 ILE A 58 -5.345 4.768 2.443 1.00 75.32 H new ATOM 0 HD11 ILE A 58 -7.708 2.421 0.789 1.00 51.55 H new ATOM 0 HD12 ILE A 58 -6.210 3.275 1.230 1.00 51.55 H new ATOM 0 HD13 ILE A 58 -7.165 2.449 2.484 1.00 51.55 H new ATOM 963 N GLN A 59 -6.915 6.440 5.663 1.00 43.20 N ATOM 964 CA GLN A 59 -6.101 7.256 6.562 1.00 33.12 C ATOM 965 C GLN A 59 -5.763 6.443 7.810 1.00 54.41 C ATOM 966 O GLN A 59 -4.600 6.331 8.217 1.00 21.24 O ATOM 967 CB GLN A 59 -6.855 8.543 6.980 1.00 42.12 C ATOM 968 CG GLN A 59 -7.607 9.263 5.855 1.00 12.41 C ATOM 969 CD GLN A 59 -6.816 9.398 4.572 1.00 42.53 C ATOM 970 OE1 GLN A 59 -6.882 8.539 3.725 1.00 61.34 O ATOM 971 NE2 GLN A 59 -6.088 10.458 4.412 1.00 41.44 N ATOM 0 H GLN A 59 -7.809 6.862 5.412 1.00 43.20 H new ATOM 0 HA GLN A 59 -5.189 7.544 6.039 1.00 33.12 H new ATOM 0 HB2 GLN A 59 -7.568 8.287 7.764 1.00 42.12 H new ATOM 0 HB3 GLN A 59 -6.137 9.238 7.416 1.00 42.12 H new ATOM 0 HG2 GLN A 59 -8.530 8.722 5.645 1.00 12.41 H new ATOM 0 HG3 GLN A 59 -7.891 10.257 6.200 1.00 12.41 H new ATOM 0 HE21 GLN A 59 -6.051 11.167 5.144 1.00 41.44 H new ATOM 0 HE22 GLN A 59 -5.552 10.583 3.554 1.00 41.44 H new ATOM 980 N GLU A 60 -6.792 5.837 8.372 1.00 2.33 N ATOM 981 CA GLU A 60 -6.671 5.009 9.538 1.00 70.12 C ATOM 982 C GLU A 60 -5.847 3.761 9.260 1.00 2.14 C ATOM 983 O GLU A 60 -5.077 3.320 10.105 1.00 25.35 O ATOM 984 CB GLU A 60 -8.056 4.607 10.021 1.00 71.34 C ATOM 985 CG GLU A 60 -8.915 5.758 10.498 1.00 75.50 C ATOM 986 CD GLU A 60 -8.323 6.440 11.705 1.00 24.25 C ATOM 987 OE1 GLU A 60 -7.521 7.348 11.553 1.00 4.34 O ATOM 988 OE2 GLU A 60 -8.638 6.051 12.838 1.00 22.23 O ATOM 0 H GLU A 60 -7.746 5.913 8.019 1.00 2.33 H new ATOM 0 HA GLU A 60 -6.157 5.585 10.307 1.00 70.12 H new ATOM 0 HB2 GLU A 60 -8.575 4.095 9.210 1.00 71.34 H new ATOM 0 HB3 GLU A 60 -7.949 3.889 10.834 1.00 71.34 H new ATOM 0 HG2 GLU A 60 -9.031 6.483 9.692 1.00 75.50 H new ATOM 0 HG3 GLU A 60 -9.912 5.390 10.741 1.00 75.50 H new ATOM 995 N TYR A 61 -6.016 3.189 8.085 1.00 61.32 N ATOM 996 CA TYR A 61 -5.315 1.969 7.720 1.00 13.23 C ATOM 997 C TYR A 61 -3.822 2.226 7.631 1.00 43.53 C ATOM 998 O TYR A 61 -3.020 1.451 8.168 1.00 23.12 O ATOM 999 CB TYR A 61 -5.838 1.388 6.397 1.00 40.35 C ATOM 1000 CG TYR A 61 -5.334 -0.004 6.127 1.00 73.45 C ATOM 1001 CD1 TYR A 61 -4.148 -0.224 5.446 1.00 14.12 C ATOM 1002 CD2 TYR A 61 -6.048 -1.105 6.578 1.00 41.42 C ATOM 1003 CE1 TYR A 61 -3.689 -1.492 5.220 1.00 44.43 C ATOM 1004 CE2 TYR A 61 -5.594 -2.383 6.363 1.00 3.21 C ATOM 1005 CZ TYR A 61 -4.407 -2.568 5.678 1.00 22.01 C ATOM 1006 OH TYR A 61 -3.935 -3.829 5.464 1.00 61.33 O ATOM 0 H TYR A 61 -6.636 3.550 7.361 1.00 61.32 H new ATOM 0 HA TYR A 61 -5.503 1.232 8.501 1.00 13.23 H new ATOM 0 HB2 TYR A 61 -6.928 1.377 6.417 1.00 40.35 H new ATOM 0 HB3 TYR A 61 -5.541 2.042 5.577 1.00 40.35 H new ATOM 0 HD1 TYR A 61 -3.577 0.620 5.088 1.00 14.12 H new ATOM 0 HD2 TYR A 61 -6.977 -0.954 7.107 1.00 41.42 H new ATOM 0 HE1 TYR A 61 -2.765 -1.646 4.683 1.00 44.43 H new ATOM 0 HE2 TYR A 61 -6.156 -3.232 6.724 1.00 3.21 H new ATOM 0 HH TYR A 61 -3.148 -3.984 6.028 1.00 61.33 H new ATOM 1016 N LEU A 62 -3.460 3.318 6.967 1.00 23.11 N ATOM 1017 CA LEU A 62 -2.061 3.732 6.832 1.00 33.25 C ATOM 1018 C LEU A 62 -1.434 3.864 8.204 1.00 32.31 C ATOM 1019 O LEU A 62 -0.349 3.351 8.456 1.00 1.31 O ATOM 1020 CB LEU A 62 -1.966 5.086 6.111 1.00 1.31 C ATOM 1021 CG LEU A 62 -2.553 5.155 4.704 1.00 44.22 C ATOM 1022 CD1 LEU A 62 -2.448 6.569 4.158 1.00 62.34 C ATOM 1023 CD2 LEU A 62 -1.861 4.175 3.771 1.00 33.32 C ATOM 0 H LEU A 62 -4.123 3.942 6.507 1.00 23.11 H new ATOM 0 HA LEU A 62 -1.533 2.977 6.249 1.00 33.25 H new ATOM 0 HB2 LEU A 62 -2.466 5.835 6.726 1.00 1.31 H new ATOM 0 HB3 LEU A 62 -0.915 5.369 6.056 1.00 1.31 H new ATOM 0 HG LEU A 62 -3.605 4.877 4.763 1.00 44.22 H new ATOM 0 HD11 LEU A 62 -2.870 6.604 3.154 1.00 62.34 H new ATOM 0 HD12 LEU A 62 -2.998 7.251 4.807 1.00 62.34 H new ATOM 0 HD13 LEU A 62 -1.400 6.868 4.121 1.00 62.34 H new ATOM 0 HD21 LEU A 62 -2.301 4.247 2.776 1.00 33.32 H new ATOM 0 HD22 LEU A 62 -0.799 4.413 3.716 1.00 33.32 H new ATOM 0 HD23 LEU A 62 -1.987 3.161 4.150 1.00 33.32 H new ATOM 1035 N GLU A 63 -2.150 4.525 9.090 1.00 33.42 N ATOM 1036 CA GLU A 63 -1.672 4.762 10.433 1.00 13.21 C ATOM 1037 C GLU A 63 -1.598 3.499 11.301 1.00 64.32 C ATOM 1038 O GLU A 63 -0.778 3.439 12.209 1.00 3.20 O ATOM 1039 CB GLU A 63 -2.459 5.849 11.127 1.00 55.14 C ATOM 1040 CG GLU A 63 -2.354 7.213 10.468 1.00 22.45 C ATOM 1041 CD GLU A 63 -2.956 8.288 11.322 1.00 73.45 C ATOM 1042 OE1 GLU A 63 -4.180 8.336 11.463 1.00 62.35 O ATOM 1043 OE2 GLU A 63 -2.190 9.064 11.921 1.00 43.22 O ATOM 0 H GLU A 63 -3.075 4.911 8.899 1.00 33.42 H new ATOM 0 HA GLU A 63 -0.644 5.104 10.311 1.00 13.21 H new ATOM 0 HB2 GLU A 63 -3.508 5.555 11.163 1.00 55.14 H new ATOM 0 HB3 GLU A 63 -2.115 5.929 12.158 1.00 55.14 H new ATOM 0 HG2 GLU A 63 -1.306 7.445 10.276 1.00 22.45 H new ATOM 0 HG3 GLU A 63 -2.858 7.190 9.502 1.00 22.45 H new ATOM 1050 N LYS A 64 -2.449 2.512 11.052 1.00 64.30 N ATOM 1051 CA LYS A 64 -2.378 1.286 11.826 1.00 1.41 C ATOM 1052 C LYS A 64 -1.384 0.287 11.287 1.00 34.34 C ATOM 1053 O LYS A 64 -0.642 -0.300 12.054 1.00 64.51 O ATOM 1054 CB LYS A 64 -3.716 0.661 12.083 1.00 21.02 C ATOM 1055 CG LYS A 64 -4.539 0.343 10.892 1.00 10.34 C ATOM 1056 CD LYS A 64 -5.769 -0.362 11.329 1.00 40.03 C ATOM 1057 CE LYS A 64 -6.640 0.489 12.254 1.00 54.45 C ATOM 1058 NZ LYS A 64 -7.040 1.776 11.654 1.00 34.35 N ATOM 0 H LYS A 64 -3.178 2.536 10.339 1.00 64.30 H new ATOM 0 HA LYS A 64 -1.996 1.603 12.797 1.00 1.41 H new ATOM 0 HB2 LYS A 64 -3.560 -0.260 12.645 1.00 21.02 H new ATOM 0 HB3 LYS A 64 -4.288 1.332 12.723 1.00 21.02 H new ATOM 0 HG2 LYS A 64 -4.799 1.257 10.359 1.00 10.34 H new ATOM 0 HG3 LYS A 64 -3.974 -0.280 10.199 1.00 10.34 H new ATOM 0 HD2 LYS A 64 -6.350 -0.649 10.452 1.00 40.03 H new ATOM 0 HD3 LYS A 64 -5.492 -1.283 11.843 1.00 40.03 H new ATOM 0 HE2 LYS A 64 -7.535 -0.074 12.520 1.00 54.45 H new ATOM 0 HE3 LYS A 64 -6.097 0.680 13.180 1.00 54.45 H new ATOM 0 HZ1 LYS A 64 -7.655 2.291 12.315 1.00 34.35 H new ATOM 0 HZ2 LYS A 64 -6.192 2.345 11.455 1.00 34.35 H new ATOM 0 HZ3 LYS A 64 -7.555 1.601 10.767 1.00 34.35 H new ATOM 1072 N CYS A 65 -1.331 0.120 9.956 1.00 1.24 N ATOM 1073 CA CYS A 65 -0.351 -0.812 9.318 1.00 23.31 C ATOM 1074 C CYS A 65 1.076 -0.333 9.601 1.00 1.44 C ATOM 1075 O CYS A 65 2.037 -1.082 9.506 1.00 24.11 O ATOM 1076 CB CYS A 65 -0.610 -0.930 7.796 1.00 35.41 C ATOM 1077 SG CYS A 65 0.560 -2.014 6.877 1.00 3.14 S ATOM 0 H CYS A 65 -1.941 0.605 9.297 1.00 1.24 H new ATOM 0 HA CYS A 65 -0.477 -1.806 9.747 1.00 23.31 H new ATOM 0 HB2 CYS A 65 -1.622 -1.306 7.645 1.00 35.41 H new ATOM 0 HB3 CYS A 65 -0.573 0.068 7.360 1.00 35.41 H new ATOM 1082 N LEU A 66 1.155 0.923 10.002 1.00 24.55 N ATOM 1083 CA LEU A 66 2.350 1.611 10.400 1.00 43.22 C ATOM 1084 C LEU A 66 2.947 0.899 11.659 1.00 62.44 C ATOM 1085 O LEU A 66 4.131 1.042 11.974 1.00 30.02 O ATOM 1086 CB LEU A 66 1.886 3.060 10.717 1.00 21.13 C ATOM 1087 CG LEU A 66 2.885 4.224 10.778 1.00 50.54 C ATOM 1088 CD1 LEU A 66 3.863 4.143 11.897 1.00 33.41 C ATOM 1089 CD2 LEU A 66 3.571 4.407 9.463 1.00 32.20 C ATOM 0 H LEU A 66 0.329 1.519 10.059 1.00 24.55 H new ATOM 0 HA LEU A 66 3.130 1.613 9.639 1.00 43.22 H new ATOM 0 HB2 LEU A 66 1.137 3.324 9.971 1.00 21.13 H new ATOM 0 HB3 LEU A 66 1.378 3.027 11.681 1.00 21.13 H new ATOM 0 HG LEU A 66 2.288 5.110 10.993 1.00 50.54 H new ATOM 0 HD11 LEU A 66 4.528 5.006 11.862 1.00 33.41 H new ATOM 0 HD12 LEU A 66 3.329 4.135 12.847 1.00 33.41 H new ATOM 0 HD13 LEU A 66 4.449 3.229 11.803 1.00 33.41 H new ATOM 0 HD21 LEU A 66 4.274 5.237 9.532 1.00 32.20 H new ATOM 0 HD22 LEU A 66 4.110 3.496 9.204 1.00 32.20 H new ATOM 0 HD23 LEU A 66 2.830 4.621 8.693 1.00 32.20 H new ATOM 1101 N ASN A 67 2.115 0.126 12.365 1.00 44.32 N ATOM 1102 CA ASN A 67 2.568 -0.617 13.523 1.00 4.13 C ATOM 1103 C ASN A 67 1.968 -2.023 13.586 1.00 52.11 C ATOM 1104 O ASN A 67 2.613 -2.992 13.182 1.00 70.44 O ATOM 1105 CB ASN A 67 2.327 0.157 14.823 1.00 31.00 C ATOM 1106 CG ASN A 67 2.953 -0.543 16.008 1.00 41.12 C ATOM 1107 OD1 ASN A 67 4.119 -0.321 16.330 1.00 21.43 O ATOM 1108 ND2 ASN A 67 2.208 -1.364 16.670 1.00 32.33 N ATOM 0 H ASN A 67 1.126 0.005 12.147 1.00 44.32 H new ATOM 0 HA ASN A 67 3.645 -0.741 13.410 1.00 4.13 H new ATOM 0 HB2 ASN A 67 2.741 1.161 14.732 1.00 31.00 H new ATOM 0 HB3 ASN A 67 1.255 0.268 14.989 1.00 31.00 H new ATOM 0 HD21 ASN A 67 2.583 -1.849 17.485 1.00 32.33 H new ATOM 0 HD22 ASN A 67 1.244 -1.527 16.378 1.00 32.33 H new ATOM 1404 N GLY B 119 -14.958 5.060 -10.704 1.00 50.24 N ATOM 1405 CA GLY B 119 -15.550 6.334 -10.444 1.00 21.01 C ATOM 1406 C GLY B 119 -16.916 6.145 -9.904 1.00 23.42 C ATOM 1407 O GLY B 119 -17.897 6.688 -10.429 1.00 63.42 O ATOM 0 HA2 GLY B 119 -14.941 6.891 -9.733 1.00 21.01 H new ATOM 0 HA3 GLY B 119 -15.588 6.923 -11.361 1.00 21.01 H new ATOM 1411 N ASP B 120 -16.996 5.357 -8.883 1.00 4.42 N ATOM 1412 CA ASP B 120 -18.237 5.018 -8.258 1.00 62.22 C ATOM 1413 C ASP B 120 -17.992 4.938 -6.771 1.00 64.34 C ATOM 1414 O ASP B 120 -16.864 5.194 -6.330 1.00 20.45 O ATOM 1415 CB ASP B 120 -18.710 3.685 -8.824 1.00 63.40 C ATOM 1416 CG ASP B 120 -20.072 3.233 -8.329 1.00 43.23 C ATOM 1417 OD1 ASP B 120 -20.981 4.070 -8.231 1.00 74.30 O ATOM 1418 OD2 ASP B 120 -20.243 2.035 -8.011 1.00 20.10 O ATOM 0 H ASP B 120 -16.183 4.920 -8.448 1.00 4.42 H new ATOM 0 HA ASP B 120 -19.011 5.761 -8.448 1.00 62.22 H new ATOM 0 HB2 ASP B 120 -18.739 3.757 -9.911 1.00 63.40 H new ATOM 0 HB3 ASP B 120 -17.976 2.919 -8.575 1.00 63.40 H new ATOM 1447 N ASP B 122 -19.338 6.913 -4.562 1.00 1.23 N ATOM 1448 CA ASP B 122 -19.142 8.350 -4.358 1.00 65.42 C ATOM 1449 C ASP B 122 -17.987 8.847 -5.181 1.00 61.41 C ATOM 1450 O ASP B 122 -18.159 9.694 -6.046 1.00 15.14 O ATOM 1451 CB ASP B 122 -18.986 8.745 -2.906 1.00 43.52 C ATOM 1452 CG ASP B 122 -20.254 8.613 -2.093 1.00 14.23 C ATOM 1453 OD1 ASP B 122 -21.083 9.545 -2.120 1.00 40.25 O ATOM 1454 OD2 ASP B 122 -20.425 7.598 -1.388 1.00 52.25 O ATOM 0 HA ASP B 122 -20.058 8.833 -4.697 1.00 65.42 H new ATOM 0 HB2 ASP B 122 -18.210 8.127 -2.453 1.00 43.52 H new ATOM 0 HB3 ASP B 122 -18.640 9.778 -2.856 1.00 43.52 H new ATOM 1459 N SER B 123 -16.823 8.330 -4.881 1.00 42.41 N ATOM 1460 CA SER B 123 -15.624 8.541 -5.648 1.00 32.44 C ATOM 1461 C SER B 123 -14.927 9.941 -5.442 1.00 74.13 C ATOM 1462 O SER B 123 -14.010 10.305 -6.182 1.00 10.44 O ATOM 1463 CB SER B 123 -15.862 8.120 -7.137 1.00 13.24 C ATOM 1464 OG SER B 123 -14.729 8.333 -7.959 1.00 12.54 O ATOM 0 H SER B 123 -16.680 7.730 -4.068 1.00 42.41 H new ATOM 0 HA SER B 123 -14.860 7.877 -5.244 1.00 32.44 H new ATOM 0 HB2 SER B 123 -16.136 7.066 -7.171 1.00 13.24 H new ATOM 0 HB3 SER B 123 -16.706 8.682 -7.538 1.00 13.24 H new ATOM 0 HG SER B 123 -13.920 8.339 -7.406 1.00 12.54 H new ATOM 1470 N MET B 124 -15.341 10.693 -4.415 1.00 21.25 N ATOM 1471 CA MET B 124 -14.656 11.962 -4.050 1.00 43.33 C ATOM 1472 C MET B 124 -14.688 12.187 -2.531 1.00 34.22 C ATOM 1473 O MET B 124 -15.768 12.323 -1.954 1.00 20.12 O ATOM 1474 CB MET B 124 -15.260 13.239 -4.721 1.00 44.03 C ATOM 1475 CG MET B 124 -15.214 13.345 -6.251 1.00 62.13 C ATOM 1476 SD MET B 124 -16.417 12.299 -7.121 1.00 34.20 S ATOM 1477 CE MET B 124 -17.961 12.945 -6.466 1.00 14.42 C ATOM 0 H MET B 124 -16.137 10.458 -3.822 1.00 21.25 H new ATOM 0 HA MET B 124 -13.638 11.833 -4.419 1.00 43.33 H new ATOM 0 HB2 MET B 124 -16.303 13.315 -4.413 1.00 44.03 H new ATOM 0 HB3 MET B 124 -14.743 14.107 -4.311 1.00 44.03 H new ATOM 0 HG2 MET B 124 -15.384 14.384 -6.535 1.00 62.13 H new ATOM 0 HG3 MET B 124 -14.212 13.082 -6.590 1.00 62.13 H new ATOM 0 HE1 MET B 124 -18.775 12.708 -7.151 1.00 14.42 H new ATOM 0 HE2 MET B 124 -18.161 12.493 -5.495 1.00 14.42 H new ATOM 0 HE3 MET B 124 -17.885 14.027 -6.354 1.00 14.42 H new ATOM 1487 N LYS B 125 -13.524 12.194 -1.879 1.00 54.40 N ATOM 1488 CA LYS B 125 -13.414 12.544 -0.451 1.00 25.01 C ATOM 1489 C LYS B 125 -12.141 13.340 -0.148 1.00 25.44 C ATOM 1490 O LYS B 125 -11.289 13.535 -1.008 1.00 31.23 O ATOM 1491 CB LYS B 125 -13.476 11.302 0.470 1.00 52.04 C ATOM 1492 CG LYS B 125 -14.863 10.710 0.688 1.00 22.03 C ATOM 1493 CD LYS B 125 -15.711 11.601 1.586 1.00 42.32 C ATOM 1494 CE LYS B 125 -15.229 11.590 3.038 1.00 63.00 C ATOM 1495 NZ LYS B 125 -16.054 12.459 3.909 1.00 24.44 N ATOM 0 H LYS B 125 -12.633 11.960 -2.317 1.00 54.40 H new ATOM 0 HA LYS B 125 -14.279 13.172 -0.239 1.00 25.01 H new ATOM 0 HB2 LYS B 125 -12.833 10.529 0.050 1.00 52.04 H new ATOM 0 HB3 LYS B 125 -13.059 11.571 1.441 1.00 52.04 H new ATOM 0 HG2 LYS B 125 -15.360 10.580 -0.273 1.00 22.03 H new ATOM 0 HG3 LYS B 125 -14.772 9.720 1.136 1.00 22.03 H new ATOM 0 HD2 LYS B 125 -15.689 12.622 1.206 1.00 42.32 H new ATOM 0 HD3 LYS B 125 -16.749 11.269 1.548 1.00 42.32 H new ATOM 0 HE2 LYS B 125 -15.253 10.569 3.419 1.00 63.00 H new ATOM 0 HE3 LYS B 125 -14.191 11.920 3.077 1.00 63.00 H new ATOM 0 HZ1 LYS B 125 -15.691 12.420 4.883 1.00 24.44 H new ATOM 0 HZ2 LYS B 125 -16.011 13.439 3.562 1.00 24.44 H new ATOM 0 HZ3 LYS B 125 -17.040 12.129 3.894 1.00 24.44 H new ATOM 1509 N GLU B 126 -12.060 13.823 1.077 1.00 21.45 N ATOM 1510 CA GLU B 126 -10.892 14.491 1.622 1.00 45.14 C ATOM 1511 C GLU B 126 -10.603 13.832 2.968 1.00 70.35 C ATOM 1512 O GLU B 126 -11.533 13.254 3.542 1.00 43.04 O ATOM 1513 CB GLU B 126 -11.135 16.004 1.769 1.00 33.13 C ATOM 1514 CG GLU B 126 -11.336 16.715 0.447 1.00 2.42 C ATOM 1515 CD GLU B 126 -11.410 18.205 0.594 1.00 42.24 C ATOM 1516 OE1 GLU B 126 -10.350 18.846 0.721 1.00 55.02 O ATOM 1517 OE2 GLU B 126 -12.519 18.764 0.564 1.00 63.51 O ATOM 0 H GLU B 126 -12.830 13.759 1.743 1.00 21.45 H new ATOM 0 HA GLU B 126 -10.036 14.390 0.955 1.00 45.14 H new ATOM 0 HB2 GLU B 126 -12.013 16.164 2.395 1.00 33.13 H new ATOM 0 HB3 GLU B 126 -10.287 16.451 2.288 1.00 33.13 H new ATOM 0 HG2 GLU B 126 -10.516 16.461 -0.225 1.00 2.42 H new ATOM 0 HG3 GLU B 126 -12.253 16.354 -0.018 1.00 2.42 H new ATOM 1524 N PRO B 127 -9.348 13.907 3.511 1.00 25.45 N ATOM 1525 CA PRO B 127 -8.953 13.160 4.711 1.00 54.21 C ATOM 1526 C PRO B 127 -9.890 13.358 5.877 1.00 42.12 C ATOM 1527 O PRO B 127 -9.982 14.433 6.467 1.00 13.12 O ATOM 1528 CB PRO B 127 -7.558 13.678 5.034 1.00 24.31 C ATOM 1529 CG PRO B 127 -7.483 14.959 4.314 1.00 52.32 C ATOM 1530 CD PRO B 127 -8.239 14.742 3.049 1.00 22.05 C ATOM 0 HA PRO B 127 -8.981 12.086 4.528 1.00 54.21 H new ATOM 0 HB2 PRO B 127 -7.420 13.814 6.107 1.00 24.31 H new ATOM 0 HB3 PRO B 127 -6.786 12.985 4.699 1.00 24.31 H new ATOM 0 HG2 PRO B 127 -7.921 15.766 4.901 1.00 52.32 H new ATOM 0 HG3 PRO B 127 -6.449 15.237 4.112 1.00 52.32 H new ATOM 0 HD2 PRO B 127 -8.585 15.679 2.612 1.00 22.05 H new ATOM 0 HD3 PRO B 127 -7.636 14.241 2.292 1.00 22.05 H new ATOM 1855 N CYS C 209 -0.334 -16.523 5.749 1.00 35.50 N ATOM 1856 CA CYS C 209 0.374 -15.270 5.552 1.00 35.41 C ATOM 1857 C CYS C 209 1.398 -15.400 4.407 1.00 73.44 C ATOM 1858 O CYS C 209 2.149 -16.372 4.365 1.00 23.14 O ATOM 1859 CB CYS C 209 1.078 -14.932 6.863 1.00 43.14 C ATOM 1860 SG CYS C 209 2.052 -13.416 6.887 1.00 12.11 S ATOM 0 HA CYS C 209 -0.323 -14.478 5.277 1.00 35.41 H new ATOM 0 HB2 CYS C 209 0.324 -14.865 7.647 1.00 43.14 H new ATOM 0 HB3 CYS C 209 1.734 -15.763 7.122 1.00 43.14 H new ATOM 1865 N PRO C 210 1.423 -14.417 3.467 1.00 54.22 N ATOM 1866 CA PRO C 210 2.349 -14.422 2.317 1.00 51.13 C ATOM 1867 C PRO C 210 3.812 -14.148 2.693 1.00 60.33 C ATOM 1868 O PRO C 210 4.667 -15.038 2.620 1.00 24.33 O ATOM 1869 CB PRO C 210 1.819 -13.298 1.417 1.00 24.44 C ATOM 1870 CG PRO C 210 1.037 -12.405 2.317 1.00 65.34 C ATOM 1871 CD PRO C 210 0.510 -13.268 3.425 1.00 54.21 C ATOM 0 HA PRO C 210 2.370 -15.405 1.847 1.00 51.13 H new ATOM 0 HB2 PRO C 210 2.637 -12.757 0.941 1.00 24.44 H new ATOM 0 HB3 PRO C 210 1.193 -13.696 0.618 1.00 24.44 H new ATOM 0 HG2 PRO C 210 1.666 -11.607 2.713 1.00 65.34 H new ATOM 0 HG3 PRO C 210 0.220 -11.928 1.775 1.00 65.34 H new ATOM 0 HD2 PRO C 210 0.502 -12.733 4.375 1.00 54.21 H new ATOM 0 HD3 PRO C 210 -0.515 -13.583 3.229 1.00 54.21 H new ATOM 1879 N CYS C 211 4.099 -12.933 3.102 1.00 41.03 N ATOM 1880 CA CYS C 211 5.442 -12.571 3.443 1.00 70.22 C ATOM 1881 C CYS C 211 5.653 -12.642 4.925 1.00 22.25 C ATOM 1882 O CYS C 211 5.430 -11.669 5.641 1.00 55.13 O ATOM 1883 CB CYS C 211 5.806 -11.170 2.940 1.00 50.02 C ATOM 1884 SG CYS C 211 5.644 -10.931 1.148 1.00 71.24 S ATOM 0 H CYS C 211 3.415 -12.183 3.204 1.00 41.03 H new ATOM 0 HA CYS C 211 6.096 -13.289 2.949 1.00 70.22 H new ATOM 0 HB2 CYS C 211 5.172 -10.442 3.447 1.00 50.02 H new ATOM 0 HB3 CYS C 211 6.834 -10.953 3.229 1.00 50.02 H new ATOM 1889 N ARG C 212 6.031 -13.800 5.403 1.00 13.14 N ATOM 1890 CA ARG C 212 6.364 -13.935 6.797 1.00 74.32 C ATOM 1891 C ARG C 212 7.748 -13.349 7.006 1.00 60.21 C ATOM 1892 O ARG C 212 8.089 -12.873 8.093 1.00 50.34 O ATOM 1893 CB ARG C 212 6.306 -15.399 7.242 1.00 20.01 C ATOM 1894 CG ARG C 212 6.620 -15.608 8.707 1.00 71.24 C ATOM 1895 CD ARG C 212 6.473 -17.058 9.109 1.00 43.31 C ATOM 1896 NE ARG C 212 6.793 -17.239 10.519 1.00 52.21 N ATOM 1897 CZ ARG C 212 6.074 -17.946 11.389 1.00 73.04 C ATOM 1898 NH1 ARG C 212 5.004 -18.633 10.981 1.00 52.34 N ATOM 1899 NH2 ARG C 212 6.438 -17.974 12.664 1.00 23.31 N ATOM 0 H ARG C 212 6.115 -14.655 4.853 1.00 13.14 H new ATOM 0 HA ARG C 212 5.638 -13.397 7.407 1.00 74.32 H new ATOM 0 HB2 ARG C 212 5.311 -15.792 7.034 1.00 20.01 H new ATOM 0 HB3 ARG C 212 7.009 -15.978 6.644 1.00 20.01 H new ATOM 0 HG2 ARG C 212 7.637 -15.275 8.912 1.00 71.24 H new ATOM 0 HG3 ARG C 212 5.955 -14.993 9.313 1.00 71.24 H new ATOM 0 HD2 ARG C 212 5.453 -17.392 8.917 1.00 43.31 H new ATOM 0 HD3 ARG C 212 7.131 -17.678 8.500 1.00 43.31 H new ATOM 0 HE ARG C 212 7.638 -16.787 10.869 1.00 52.21 H new ATOM 0 HH11 ARG C 212 4.733 -18.618 9.998 1.00 52.34 H new ATOM 0 HH12 ARG C 212 4.458 -19.172 11.653 1.00 52.34 H new ATOM 0 HH21 ARG C 212 7.262 -17.457 12.971 1.00 23.31 H new ATOM 0 HH22 ARG C 212 5.894 -18.513 13.338 1.00 23.31 H new ATOM 1913 N PHE C 213 8.531 -13.365 5.937 1.00 0.03 N ATOM 1914 CA PHE C 213 9.832 -12.761 5.931 1.00 64.13 C ATOM 1915 C PHE C 213 9.734 -11.446 5.190 1.00 45.20 C ATOM 1916 O PHE C 213 9.188 -11.394 4.078 1.00 33.31 O ATOM 1917 CB PHE C 213 10.841 -13.677 5.232 1.00 4.14 C ATOM 1918 CG PHE C 213 10.992 -15.022 5.878 1.00 72.11 C ATOM 1919 CD1 PHE C 213 11.896 -15.212 6.909 1.00 72.20 C ATOM 1920 CD2 PHE C 213 10.229 -16.098 5.453 1.00 25.11 C ATOM 1921 CE1 PHE C 213 12.032 -16.448 7.504 1.00 33.14 C ATOM 1922 CE2 PHE C 213 10.361 -17.334 6.045 1.00 55.42 C ATOM 1923 CZ PHE C 213 11.262 -17.511 7.069 1.00 41.32 C ATOM 0 H PHE C 213 8.270 -13.801 5.053 1.00 0.03 H new ATOM 0 HA PHE C 213 10.172 -12.598 6.954 1.00 64.13 H new ATOM 0 HB2 PHE C 213 10.533 -13.815 4.195 1.00 4.14 H new ATOM 0 HB3 PHE C 213 11.812 -13.183 5.213 1.00 4.14 H new ATOM 0 HD1 PHE C 213 12.500 -14.384 7.250 1.00 72.20 H new ATOM 0 HD2 PHE C 213 9.522 -15.965 4.647 1.00 25.11 H new ATOM 0 HE1 PHE C 213 12.739 -16.586 8.309 1.00 33.14 H new ATOM 0 HE2 PHE C 213 9.758 -18.163 5.706 1.00 55.42 H new ATOM 0 HZ PHE C 213 11.368 -18.480 7.533 1.00 41.32 H new ATOM 1933 N PHE C 214 10.213 -10.400 5.815 1.00 14.34 N ATOM 1934 CA PHE C 214 10.206 -9.077 5.239 1.00 22.42 C ATOM 1935 C PHE C 214 11.513 -8.315 5.451 1.00 32.21 C ATOM 1936 O PHE C 214 12.107 -8.359 6.529 1.00 74.52 O ATOM 1937 CB PHE C 214 8.933 -8.284 5.592 1.00 73.23 C ATOM 1938 CG PHE C 214 8.398 -8.508 6.983 1.00 25.50 C ATOM 1939 CD1 PHE C 214 8.957 -7.899 8.079 1.00 70.53 C ATOM 1940 CD2 PHE C 214 7.303 -9.338 7.171 1.00 42.35 C ATOM 1941 CE1 PHE C 214 8.440 -8.112 9.341 1.00 33.31 C ATOM 1942 CE2 PHE C 214 6.786 -9.555 8.427 1.00 53.11 C ATOM 1943 CZ PHE C 214 7.355 -8.942 9.514 1.00 43.50 C ATOM 0 H PHE C 214 10.623 -10.442 6.748 1.00 14.34 H new ATOM 0 HA PHE C 214 10.158 -9.213 4.159 1.00 22.42 H new ATOM 0 HB2 PHE C 214 9.141 -7.221 5.468 1.00 73.23 H new ATOM 0 HB3 PHE C 214 8.154 -8.542 4.875 1.00 73.23 H new ATOM 0 HD1 PHE C 214 9.809 -7.247 7.953 1.00 70.53 H new ATOM 0 HD2 PHE C 214 6.849 -9.821 6.318 1.00 42.35 H new ATOM 0 HE1 PHE C 214 8.888 -7.626 10.195 1.00 33.31 H new ATOM 0 HE2 PHE C 214 5.934 -10.206 8.557 1.00 53.11 H new ATOM 0 HZ PHE C 214 6.953 -9.110 10.502 1.00 43.50 H new ATOM 1953 N GLU C 215 11.924 -7.637 4.414 1.00 31.00 N ATOM 1954 CA GLU C 215 13.176 -6.916 4.312 1.00 1.23 C ATOM 1955 C GLU C 215 13.095 -5.542 4.959 1.00 2.22 C ATOM 1956 O GLU C 215 12.015 -4.936 5.046 1.00 15.40 O ATOM 1957 CB GLU C 215 13.555 -6.744 2.821 1.00 2.51 C ATOM 1958 CG GLU C 215 13.942 -8.024 2.056 1.00 40.43 C ATOM 1959 CD GLU C 215 12.872 -9.127 1.988 1.00 41.05 C ATOM 1960 OE1 GLU C 215 12.772 -9.921 2.920 1.00 3.44 O ATOM 1961 OE2 GLU C 215 12.176 -9.252 0.970 1.00 32.33 O ATOM 0 H GLU C 215 11.365 -7.565 3.564 1.00 31.00 H new ATOM 0 HA GLU C 215 13.933 -7.498 4.838 1.00 1.23 H new ATOM 0 HB2 GLU C 215 12.713 -6.281 2.307 1.00 2.51 H new ATOM 0 HB3 GLU C 215 14.389 -6.045 2.760 1.00 2.51 H new ATOM 0 HG2 GLU C 215 14.211 -7.745 1.037 1.00 40.43 H new ATOM 0 HG3 GLU C 215 14.836 -8.442 2.519 1.00 40.43 H new ATOM 1968 N SER C 216 14.236 -5.041 5.409 1.00 41.33 N ATOM 1969 CA SER C 216 14.280 -3.731 5.998 1.00 71.30 C ATOM 1970 C SER C 216 15.230 -2.776 5.242 1.00 5.25 C ATOM 1971 O SER C 216 14.884 -1.635 4.971 1.00 24.41 O ATOM 1972 CB SER C 216 14.587 -3.799 7.502 1.00 22.31 C ATOM 1973 OG SER C 216 15.809 -4.473 7.769 1.00 74.31 O ATOM 0 H SER C 216 15.133 -5.526 5.374 1.00 41.33 H new ATOM 0 HA SER C 216 13.283 -3.302 5.897 1.00 71.30 H new ATOM 0 HB2 SER C 216 14.635 -2.788 7.908 1.00 22.31 H new ATOM 0 HB3 SER C 216 13.772 -4.310 8.015 1.00 22.31 H new ATOM 0 HG SER C 216 15.967 -4.493 8.736 1.00 74.31 H new ATOM 1979 N HIS C 217 16.410 -3.226 4.886 1.00 22.21 N ATOM 1980 CA HIS C 217 17.312 -2.357 4.148 1.00 42.20 C ATOM 1981 C HIS C 217 17.035 -2.341 2.664 1.00 42.52 C ATOM 1982 O HIS C 217 17.665 -3.043 1.877 1.00 53.54 O ATOM 1983 CB HIS C 217 18.786 -2.561 4.481 1.00 32.02 C ATOM 1984 CG HIS C 217 19.181 -1.974 5.804 1.00 75.22 C ATOM 1985 ND1 HIS C 217 20.203 -1.066 5.946 1.00 13.43 N ATOM 1986 CD2 HIS C 217 18.697 -2.182 7.046 1.00 14.43 C ATOM 1987 CE1 HIS C 217 20.330 -0.747 7.211 1.00 30.34 C ATOM 1988 NE2 HIS C 217 19.428 -1.409 7.903 1.00 2.02 N ATOM 0 H HIS C 217 16.766 -4.161 5.085 1.00 22.21 H new ATOM 0 HA HIS C 217 17.085 -1.353 4.506 1.00 42.20 H new ATOM 0 HB2 HIS C 217 19.006 -3.628 4.484 1.00 32.02 H new ATOM 0 HB3 HIS C 217 19.394 -2.112 3.696 1.00 32.02 H new ATOM 0 HD2 HIS C 217 17.882 -2.838 7.313 1.00 14.43 H new ATOM 0 HE1 HIS C 217 21.054 -0.056 7.617 1.00 30.34 H new ATOM 0 HE2 HIS C 217 19.296 -1.354 8.913 1.00 2.02 H new ATOM 1997 N VAL C 218 16.036 -1.574 2.322 1.00 22.45 N ATOM 1998 CA VAL C 218 15.585 -1.371 0.970 1.00 43.41 C ATOM 1999 C VAL C 218 15.414 0.135 0.800 1.00 2.30 C ATOM 2000 O VAL C 218 15.183 0.831 1.786 1.00 12.42 O ATOM 2001 CB VAL C 218 14.217 -2.104 0.725 1.00 40.11 C ATOM 2002 CG1 VAL C 218 13.703 -1.876 -0.694 1.00 54.31 C ATOM 2003 CG2 VAL C 218 14.346 -3.611 1.004 1.00 44.11 C ATOM 0 H VAL C 218 15.490 -1.051 3.006 1.00 22.45 H new ATOM 0 HA VAL C 218 16.299 -1.776 0.253 1.00 43.41 H new ATOM 0 HB VAL C 218 13.493 -1.677 1.419 1.00 40.11 H new ATOM 0 HG11 VAL C 218 12.755 -2.398 -0.826 1.00 54.31 H new ATOM 0 HG12 VAL C 218 13.556 -0.809 -0.861 1.00 54.31 H new ATOM 0 HG13 VAL C 218 14.430 -2.258 -1.410 1.00 54.31 H new ATOM 0 HG21 VAL C 218 13.386 -4.097 0.828 1.00 44.11 H new ATOM 0 HG22 VAL C 218 15.098 -4.041 0.342 1.00 44.11 H new ATOM 0 HG23 VAL C 218 14.645 -3.765 2.041 1.00 44.11 H new ATOM 2013 N ALA C 219 15.586 0.641 -0.391 1.00 14.43 N ATOM 2014 CA ALA C 219 15.461 2.058 -0.630 1.00 71.12 C ATOM 2015 C ALA C 219 14.145 2.352 -1.310 1.00 51.55 C ATOM 2016 O ALA C 219 13.790 1.674 -2.277 1.00 23.32 O ATOM 2017 CB ALA C 219 16.613 2.547 -1.485 1.00 42.43 C ATOM 0 H ALA C 219 15.815 0.090 -1.219 1.00 14.43 H new ATOM 0 HA ALA C 219 15.489 2.582 0.326 1.00 71.12 H new ATOM 0 HB1 ALA C 219 16.508 3.618 -1.659 1.00 42.43 H new ATOM 0 HB2 ALA C 219 17.555 2.353 -0.972 1.00 42.43 H new ATOM 0 HB3 ALA C 219 16.606 2.022 -2.440 1.00 42.43 H new ATOM 2023 N ARG C 220 13.423 3.363 -0.839 1.00 43.42 N ATOM 2024 CA ARG C 220 12.142 3.709 -1.458 1.00 64.31 C ATOM 2025 C ARG C 220 12.312 4.301 -2.855 1.00 23.11 C ATOM 2026 O ARG C 220 11.371 4.403 -3.614 1.00 13.10 O ATOM 2027 CB ARG C 220 11.207 4.543 -0.534 1.00 24.23 C ATOM 2028 CG ARG C 220 11.678 5.924 -0.081 1.00 23.44 C ATOM 2029 CD ARG C 220 11.641 6.948 -1.194 1.00 1.33 C ATOM 2030 NE ARG C 220 12.045 8.270 -0.718 1.00 44.25 N ATOM 2031 CZ ARG C 220 12.629 9.213 -1.459 1.00 22.12 C ATOM 2032 NH1 ARG C 220 12.995 8.959 -2.717 1.00 10.33 N ATOM 2033 NH2 ARG C 220 12.847 10.403 -0.940 1.00 0.13 N ATOM 0 H ARG C 220 13.692 3.948 -0.048 1.00 43.42 H new ATOM 0 HA ARG C 220 11.613 2.766 -1.597 1.00 64.31 H new ATOM 0 HB2 ARG C 220 10.256 4.670 -1.051 1.00 24.23 H new ATOM 0 HB3 ARG C 220 11.008 3.951 0.359 1.00 24.23 H new ATOM 0 HG2 ARG C 220 11.050 6.265 0.742 1.00 23.44 H new ATOM 0 HG3 ARG C 220 12.695 5.848 0.304 1.00 23.44 H new ATOM 0 HD2 ARG C 220 12.302 6.633 -2.002 1.00 1.33 H new ATOM 0 HD3 ARG C 220 10.634 7.001 -1.608 1.00 1.33 H new ATOM 0 HE ARG C 220 11.865 8.489 0.262 1.00 44.25 H new ATOM 0 HH11 ARG C 220 12.829 8.037 -3.120 1.00 10.33 H new ATOM 0 HH12 ARG C 220 13.441 9.687 -3.275 1.00 10.33 H new ATOM 0 HH21 ARG C 220 12.570 10.598 0.022 1.00 0.13 H new ATOM 0 HH22 ARG C 220 13.293 11.130 -1.500 1.00 0.13 H new ATOM 2047 N ALA C 221 13.509 4.719 -3.162 1.00 53.01 N ATOM 2048 CA ALA C 221 13.831 5.211 -4.477 1.00 62.35 C ATOM 2049 C ALA C 221 14.133 4.047 -5.427 1.00 32.35 C ATOM 2050 O ALA C 221 14.247 4.239 -6.644 1.00 12.34 O ATOM 2051 CB ALA C 221 15.015 6.163 -4.410 1.00 3.15 C ATOM 0 H ALA C 221 14.291 4.729 -2.508 1.00 53.01 H new ATOM 0 HA ALA C 221 12.969 5.755 -4.863 1.00 62.35 H new ATOM 0 HB1 ALA C 221 15.247 6.527 -5.411 1.00 3.15 H new ATOM 0 HB2 ALA C 221 14.767 7.007 -3.766 1.00 3.15 H new ATOM 0 HB3 ALA C 221 15.881 5.639 -4.005 1.00 3.15 H new ATOM 2057 N ASN C 222 14.278 2.846 -4.869 1.00 40.14 N ATOM 2058 CA ASN C 222 14.626 1.666 -5.663 1.00 11.50 C ATOM 2059 C ASN C 222 13.389 0.781 -5.870 1.00 34.42 C ATOM 2060 O ASN C 222 13.412 -0.199 -6.628 1.00 23.23 O ATOM 2061 CB ASN C 222 15.740 0.855 -4.971 1.00 75.21 C ATOM 2062 CG ASN C 222 16.308 -0.261 -5.850 1.00 1.32 C ATOM 2063 OD1 ASN C 222 16.370 -0.137 -7.080 1.00 63.12 O ATOM 2064 ND2 ASN C 222 16.733 -1.340 -5.239 1.00 53.52 N ATOM 0 H ASN C 222 14.160 2.663 -3.872 1.00 40.14 H new ATOM 0 HA ASN C 222 14.990 2.002 -6.634 1.00 11.50 H new ATOM 0 HB2 ASN C 222 16.547 1.529 -4.685 1.00 75.21 H new ATOM 0 HB3 ASN C 222 15.347 0.420 -4.052 1.00 75.21 H new ATOM 0 HD21 ASN C 222 17.129 -2.109 -5.779 1.00 53.52 H new ATOM 0 HD22 ASN C 222 16.667 -1.410 -4.224 1.00 53.52 H new ATOM 2071 N VAL C 223 12.312 1.129 -5.212 1.00 12.02 N ATOM 2072 CA VAL C 223 11.081 0.373 -5.340 1.00 65.02 C ATOM 2073 C VAL C 223 10.198 1.005 -6.398 1.00 75.35 C ATOM 2074 O VAL C 223 10.203 2.227 -6.573 1.00 53.51 O ATOM 2075 CB VAL C 223 10.292 0.289 -3.996 1.00 63.43 C ATOM 2076 CG1 VAL C 223 11.099 -0.437 -2.936 1.00 34.34 C ATOM 2077 CG2 VAL C 223 9.910 1.672 -3.498 1.00 25.22 C ATOM 0 H VAL C 223 12.257 1.929 -4.582 1.00 12.02 H new ATOM 0 HA VAL C 223 11.355 -0.642 -5.629 1.00 65.02 H new ATOM 0 HB VAL C 223 9.379 -0.275 -4.188 1.00 63.43 H new ATOM 0 HG11 VAL C 223 10.526 -0.482 -2.010 1.00 34.34 H new ATOM 0 HG12 VAL C 223 11.319 -1.449 -3.276 1.00 34.34 H new ATOM 0 HG13 VAL C 223 12.033 0.097 -2.760 1.00 34.34 H new ATOM 0 HG21 VAL C 223 9.361 1.582 -2.560 1.00 25.22 H new ATOM 0 HG22 VAL C 223 10.812 2.262 -3.336 1.00 25.22 H new ATOM 0 HG23 VAL C 223 9.282 2.165 -4.240 1.00 25.22 H new ATOM 2087 N LYS C 224 9.477 0.184 -7.139 1.00 1.24 N ATOM 2088 CA LYS C 224 8.564 0.717 -8.107 1.00 60.31 C ATOM 2089 C LYS C 224 7.242 1.028 -7.450 1.00 61.20 C ATOM 2090 O LYS C 224 6.597 2.000 -7.781 1.00 63.24 O ATOM 2091 CB LYS C 224 8.332 -0.215 -9.297 1.00 34.33 C ATOM 2092 CG LYS C 224 9.575 -0.539 -10.087 1.00 2.32 C ATOM 2093 CD LYS C 224 9.230 -1.165 -11.439 1.00 33.32 C ATOM 2094 CE LYS C 224 8.582 -2.538 -11.332 1.00 32.34 C ATOM 2095 NZ LYS C 224 9.551 -3.608 -11.071 1.00 23.01 N ATOM 0 H LYS C 224 9.510 -0.834 -7.085 1.00 1.24 H new ATOM 0 HA LYS C 224 9.022 1.626 -8.497 1.00 60.31 H new ATOM 0 HB2 LYS C 224 7.894 -1.145 -8.934 1.00 34.33 H new ATOM 0 HB3 LYS C 224 7.601 0.243 -9.964 1.00 34.33 H new ATOM 0 HG2 LYS C 224 10.156 0.370 -10.243 1.00 2.32 H new ATOM 0 HG3 LYS C 224 10.202 -1.224 -9.517 1.00 2.32 H new ATOM 0 HD2 LYS C 224 8.558 -0.497 -11.977 1.00 33.32 H new ATOM 0 HD3 LYS C 224 10.140 -1.248 -12.033 1.00 33.32 H new ATOM 0 HE2 LYS C 224 7.841 -2.523 -10.533 1.00 32.34 H new ATOM 0 HE3 LYS C 224 8.049 -2.756 -12.257 1.00 32.34 H new ATOM 0 HZ1 LYS C 224 9.045 -4.478 -10.808 1.00 23.01 H new ATOM 0 HZ2 LYS C 224 10.116 -3.782 -11.927 1.00 23.01 H new ATOM 0 HZ3 LYS C 224 10.180 -3.324 -10.293 1.00 23.01 H new ATOM 2109 N HIS C 225 6.830 0.177 -6.521 1.00 40.02 N ATOM 2110 CA HIS C 225 5.584 0.422 -5.797 1.00 5.25 C ATOM 2111 C HIS C 225 5.509 -0.395 -4.535 1.00 2.30 C ATOM 2112 O HIS C 225 6.320 -1.300 -4.327 1.00 73.21 O ATOM 2113 CB HIS C 225 4.318 0.136 -6.659 1.00 51.13 C ATOM 2114 CG HIS C 225 3.969 -1.319 -6.916 1.00 43.55 C ATOM 2115 ND1 HIS C 225 3.551 -2.301 -6.069 1.00 64.30 N flip ATOM 2116 CD2 HIS C 225 3.927 -1.879 -8.163 1.00 65.14 C flip ATOM 2117 CE1 HIS C 225 3.272 -3.391 -6.816 1.00 3.14 C flip ATOM 2118 NE2 HIS C 225 3.499 -3.114 -8.067 1.00 20.41 N flip ATOM 0 H HIS C 225 7.326 -0.673 -6.252 1.00 40.02 H new ATOM 0 HA HIS C 225 5.596 1.483 -5.548 1.00 5.25 H new ATOM 0 HB2 HIS C 225 3.464 0.608 -6.172 1.00 51.13 H new ATOM 0 HB3 HIS C 225 4.447 0.628 -7.623 1.00 51.13 H new ATOM 0 HD2 HIS C 225 4.203 -1.382 -9.081 1.00 65.14 H new ATOM 0 HE1 HIS C 225 2.918 -4.338 -6.437 1.00 3.14 H new ATOM 0 HE2 HIS C 225 3.365 -3.756 -8.848 1.00 20.41 H new ATOM 2127 N LEU C 226 4.482 -0.123 -3.753 1.00 64.34 N ATOM 2128 CA LEU C 226 4.187 -0.850 -2.542 1.00 5.43 C ATOM 2129 C LEU C 226 2.844 -1.531 -2.710 1.00 31.11 C ATOM 2130 O LEU C 226 1.994 -1.056 -3.448 1.00 2.41 O ATOM 2131 CB LEU C 226 4.117 0.100 -1.341 1.00 11.14 C ATOM 2132 CG LEU C 226 5.394 0.853 -0.996 1.00 62.32 C ATOM 2133 CD1 LEU C 226 5.168 1.763 0.199 1.00 24.23 C ATOM 2134 CD2 LEU C 226 6.513 -0.124 -0.716 1.00 5.25 C ATOM 0 H LEU C 226 3.818 0.626 -3.950 1.00 64.34 H new ATOM 0 HA LEU C 226 4.976 -1.581 -2.361 1.00 5.43 H new ATOM 0 HB2 LEU C 226 3.330 0.831 -1.529 1.00 11.14 H new ATOM 0 HB3 LEU C 226 3.814 -0.477 -0.467 1.00 11.14 H new ATOM 0 HG LEU C 226 5.677 1.472 -1.847 1.00 62.32 H new ATOM 0 HD11 LEU C 226 6.091 2.294 0.432 1.00 24.23 H new ATOM 0 HD12 LEU C 226 4.384 2.484 -0.035 1.00 24.23 H new ATOM 0 HD13 LEU C 226 4.866 1.166 1.059 1.00 24.23 H new ATOM 0 HD21 LEU C 226 7.422 0.425 -0.470 1.00 5.25 H new ATOM 0 HD22 LEU C 226 6.237 -0.763 0.123 1.00 5.25 H new ATOM 0 HD23 LEU C 226 6.688 -0.739 -1.598 1.00 5.25 H new ATOM 2146 N LYS C 227 2.671 -2.642 -2.091 1.00 1.15 N ATOM 2147 CA LYS C 227 1.422 -3.345 -2.126 1.00 63.23 C ATOM 2148 C LYS C 227 1.196 -4.016 -0.797 1.00 53.21 C ATOM 2149 O LYS C 227 2.014 -4.799 -0.354 1.00 64.54 O ATOM 2150 CB LYS C 227 1.392 -4.354 -3.280 1.00 32.22 C ATOM 2151 CG LYS C 227 0.106 -5.154 -3.358 1.00 51.30 C ATOM 2152 CD LYS C 227 0.080 -6.106 -4.546 1.00 14.14 C ATOM 2153 CE LYS C 227 1.281 -7.013 -4.561 1.00 72.51 C ATOM 2154 NZ LYS C 227 1.157 -8.088 -5.548 1.00 3.52 N ATOM 0 H LYS C 227 3.394 -3.101 -1.538 1.00 1.15 H new ATOM 0 HA LYS C 227 0.612 -2.637 -2.304 1.00 63.23 H new ATOM 0 HB2 LYS C 227 1.536 -3.821 -4.220 1.00 32.22 H new ATOM 0 HB3 LYS C 227 2.231 -5.041 -3.172 1.00 32.22 H new ATOM 0 HG2 LYS C 227 -0.019 -5.724 -2.437 1.00 51.30 H new ATOM 0 HG3 LYS C 227 -0.740 -4.470 -3.427 1.00 51.30 H new ATOM 0 HD2 LYS C 227 -0.829 -6.707 -4.511 1.00 14.14 H new ATOM 0 HD3 LYS C 227 0.047 -5.531 -5.472 1.00 14.14 H new ATOM 0 HE2 LYS C 227 2.173 -6.426 -4.778 1.00 72.51 H new ATOM 0 HE3 LYS C 227 1.417 -7.447 -3.570 1.00 72.51 H new ATOM 0 HZ1 LYS C 227 2.008 -8.685 -5.520 1.00 3.52 H new ATOM 0 HZ2 LYS C 227 0.321 -8.666 -5.328 1.00 3.52 H new ATOM 0 HZ3 LYS C 227 1.054 -7.677 -6.498 1.00 3.52 H new ATOM 2168 N ILE C 228 0.094 -3.717 -0.190 1.00 44.44 N ATOM 2169 CA ILE C 228 -0.192 -4.171 1.134 1.00 21.41 C ATOM 2170 C ILE C 228 -1.186 -5.328 1.110 1.00 42.23 C ATOM 2171 O ILE C 228 -2.251 -5.242 0.471 1.00 11.51 O ATOM 2172 CB ILE C 228 -0.775 -3.019 1.996 1.00 11.42 C ATOM 2173 CG1 ILE C 228 0.125 -1.776 1.913 1.00 43.23 C ATOM 2174 CG2 ILE C 228 -0.917 -3.469 3.448 1.00 42.42 C ATOM 2175 CD1 ILE C 228 -0.363 -0.596 2.733 1.00 1.53 C ATOM 0 H ILE C 228 -0.642 -3.144 -0.603 1.00 44.44 H new ATOM 0 HA ILE C 228 0.745 -4.513 1.573 1.00 21.41 H new ATOM 0 HB ILE C 228 -1.760 -2.760 1.608 1.00 11.42 H new ATOM 0 HG12 ILE C 228 1.128 -2.045 2.246 1.00 43.23 H new ATOM 0 HG13 ILE C 228 0.207 -1.470 0.870 1.00 43.23 H new ATOM 0 HG21 ILE C 228 -1.327 -2.653 4.043 1.00 42.42 H new ATOM 0 HG22 ILE C 228 -1.587 -4.327 3.499 1.00 42.42 H new ATOM 0 HG23 ILE C 228 0.061 -3.748 3.840 1.00 42.42 H new ATOM 0 HD11 ILE C 228 0.329 0.238 2.618 1.00 1.53 H new ATOM 0 HD12 ILE C 228 -1.352 -0.297 2.387 1.00 1.53 H new ATOM 0 HD13 ILE C 228 -0.417 -0.881 3.784 1.00 1.53 H new ATOM 2187 N LEU C 229 -0.794 -6.403 1.764 1.00 11.51 N ATOM 2188 CA LEU C 229 -1.595 -7.594 1.987 1.00 64.31 C ATOM 2189 C LEU C 229 -1.771 -7.755 3.498 1.00 51.33 C ATOM 2190 O LEU C 229 -0.793 -7.868 4.232 1.00 53.32 O ATOM 2191 CB LEU C 229 -0.903 -8.880 1.407 1.00 44.31 C ATOM 2192 CG LEU C 229 -0.933 -9.136 -0.132 1.00 32.43 C ATOM 2193 CD1 LEU C 229 -2.344 -9.331 -0.628 1.00 73.52 C ATOM 2194 CD2 LEU C 229 -0.216 -8.056 -0.937 1.00 64.21 C ATOM 0 H LEU C 229 0.137 -6.475 2.175 1.00 11.51 H new ATOM 0 HA LEU C 229 -2.553 -7.481 1.479 1.00 64.31 H new ATOM 0 HB2 LEU C 229 0.142 -8.856 1.715 1.00 44.31 H new ATOM 0 HB3 LEU C 229 -1.358 -9.744 1.892 1.00 44.31 H new ATOM 0 HG LEU C 229 -0.378 -10.060 -0.294 1.00 32.43 H new ATOM 0 HD11 LEU C 229 -2.330 -9.507 -1.704 1.00 73.52 H new ATOM 0 HD12 LEU C 229 -2.791 -10.189 -0.125 1.00 73.52 H new ATOM 0 HD13 LEU C 229 -2.932 -8.438 -0.414 1.00 73.52 H new ATOM 0 HD21 LEU C 229 -0.274 -8.295 -1.999 1.00 64.21 H new ATOM 0 HD22 LEU C 229 -0.690 -7.092 -0.755 1.00 64.21 H new ATOM 0 HD23 LEU C 229 0.830 -8.009 -0.632 1.00 64.21 H new ATOM 2206 N ASN C 230 -2.991 -7.740 3.967 1.00 5.43 N ATOM 2207 CA ASN C 230 -3.234 -7.874 5.403 1.00 4.33 C ATOM 2208 C ASN C 230 -3.781 -9.229 5.719 1.00 43.14 C ATOM 2209 O ASN C 230 -4.879 -9.574 5.294 1.00 14.13 O ATOM 2210 CB ASN C 230 -4.200 -6.810 5.921 1.00 61.34 C ATOM 2211 CG ASN C 230 -4.450 -6.909 7.427 1.00 75.01 C ATOM 2212 OD1 ASN C 230 -3.587 -7.336 8.187 1.00 60.15 O ATOM 2213 ND2 ASN C 230 -5.628 -6.511 7.867 1.00 12.35 N ATOM 0 H ASN C 230 -3.830 -7.638 3.396 1.00 5.43 H new ATOM 0 HA ASN C 230 -2.274 -7.738 5.901 1.00 4.33 H new ATOM 0 HB2 ASN C 230 -3.802 -5.822 5.689 1.00 61.34 H new ATOM 0 HB3 ASN C 230 -5.150 -6.903 5.394 1.00 61.34 H new ATOM 0 HD21 ASN C 230 -5.841 -6.554 8.864 1.00 12.35 H new ATOM 0 HD22 ASN C 230 -6.326 -6.161 7.211 1.00 12.35 H new ATOM 2220 N THR C 231 -3.030 -9.997 6.446 1.00 51.43 N ATOM 2221 CA THR C 231 -3.462 -11.300 6.819 1.00 2.33 C ATOM 2222 C THR C 231 -3.657 -11.399 8.327 1.00 71.32 C ATOM 2223 O THR C 231 -2.858 -10.868 9.098 1.00 23.43 O ATOM 2224 CB THR C 231 -2.501 -12.382 6.307 1.00 22.12 C ATOM 2225 OG1 THR C 231 -1.160 -12.101 6.749 1.00 63.43 O ATOM 2226 CG2 THR C 231 -2.542 -12.441 4.794 1.00 42.05 C ATOM 0 H THR C 231 -2.107 -9.737 6.794 1.00 51.43 H new ATOM 0 HA THR C 231 -4.427 -11.476 6.345 1.00 2.33 H new ATOM 0 HB THR C 231 -2.813 -13.346 6.708 1.00 22.12 H new ATOM 0 HG1 THR C 231 -0.776 -12.903 7.160 1.00 63.43 H new ATOM 0 HG21 THR C 231 -1.857 -13.212 4.441 1.00 42.05 H new ATOM 0 HG22 THR C 231 -3.554 -12.678 4.466 1.00 42.05 H new ATOM 0 HG23 THR C 231 -2.245 -11.476 4.384 1.00 42.05 H new ATOM 2234 N PRO C 232 -4.711 -12.095 8.769 1.00 55.53 N ATOM 2235 CA PRO C 232 -5.065 -12.233 10.206 1.00 73.43 C ATOM 2236 C PRO C 232 -4.064 -13.059 11.030 1.00 25.43 C ATOM 2237 O PRO C 232 -4.315 -13.354 12.206 1.00 52.42 O ATOM 2238 CB PRO C 232 -6.406 -12.968 10.159 1.00 3.22 C ATOM 2239 CG PRO C 232 -6.394 -13.694 8.859 1.00 61.41 C ATOM 2240 CD PRO C 232 -5.682 -12.799 7.903 1.00 43.41 C ATOM 0 HA PRO C 232 -5.079 -11.258 10.693 1.00 73.43 H new ATOM 0 HB2 PRO C 232 -6.509 -13.658 10.997 1.00 3.22 H new ATOM 0 HB3 PRO C 232 -7.242 -12.271 10.215 1.00 3.22 H new ATOM 0 HG2 PRO C 232 -5.884 -14.653 8.951 1.00 61.41 H new ATOM 0 HG3 PRO C 232 -7.408 -13.903 8.518 1.00 61.41 H new ATOM 0 HD2 PRO C 232 -5.185 -13.364 7.115 1.00 43.41 H new ATOM 0 HD3 PRO C 232 -6.365 -12.104 7.415 1.00 43.41 H new ATOM 2248 N ASN C 233 -2.960 -13.420 10.436 1.00 30.01 N ATOM 2249 CA ASN C 233 -1.972 -14.245 11.106 1.00 34.52 C ATOM 2250 C ASN C 233 -0.603 -13.538 11.063 1.00 60.34 C ATOM 2251 O ASN C 233 0.424 -14.094 11.428 1.00 61.11 O ATOM 2252 CB ASN C 233 -1.925 -15.626 10.417 1.00 32.50 C ATOM 2253 CG ASN C 233 -1.059 -16.654 11.132 1.00 51.33 C ATOM 2254 OD1 ASN C 233 -0.908 -16.631 12.355 1.00 43.32 O ATOM 2255 ND2 ASN C 233 -0.512 -17.566 10.380 1.00 23.25 N ATOM 0 H ASN C 233 -2.714 -13.157 9.482 1.00 30.01 H new ATOM 0 HA ASN C 233 -2.238 -14.394 12.153 1.00 34.52 H new ATOM 0 HB2 ASN C 233 -2.940 -16.015 10.339 1.00 32.50 H new ATOM 0 HB3 ASN C 233 -1.553 -15.499 9.400 1.00 32.50 H new ATOM 0 HD21 ASN C 233 0.065 -18.295 10.800 1.00 23.25 H new ATOM 0 HD22 ASN C 233 -0.661 -17.551 9.371 1.00 23.25 H new ATOM 2262 N CYS C 234 -0.631 -12.296 10.632 1.00 75.15 N ATOM 2263 CA CYS C 234 0.551 -11.454 10.510 1.00 30.30 C ATOM 2264 C CYS C 234 0.203 -10.014 10.834 1.00 74.30 C ATOM 2265 O CYS C 234 -0.977 -9.661 10.873 1.00 25.23 O ATOM 2266 CB CYS C 234 1.196 -11.572 9.126 1.00 22.04 C ATOM 2267 SG CYS C 234 2.207 -13.064 8.871 1.00 4.43 S ATOM 0 H CYS C 234 -1.492 -11.828 10.349 1.00 75.15 H new ATOM 0 HA CYS C 234 1.289 -11.804 11.232 1.00 30.30 H new ATOM 0 HB2 CYS C 234 0.409 -11.552 8.372 1.00 22.04 H new ATOM 0 HB3 CYS C 234 1.821 -10.695 8.957 1.00 22.04 H new ATOM 2272 N ALA C 235 1.211 -9.209 11.135 1.00 70.11 N ATOM 2273 CA ALA C 235 1.017 -7.798 11.475 1.00 65.43 C ATOM 2274 C ALA C 235 0.410 -7.027 10.307 1.00 74.22 C ATOM 2275 O ALA C 235 -0.726 -6.532 10.395 1.00 73.24 O ATOM 2276 CB ALA C 235 2.337 -7.164 11.894 1.00 55.43 C ATOM 0 H ALA C 235 2.186 -9.509 11.152 1.00 70.11 H new ATOM 0 HA ALA C 235 0.321 -7.749 12.312 1.00 65.43 H new ATOM 0 HB1 ALA C 235 2.174 -6.115 12.143 1.00 55.43 H new ATOM 0 HB2 ALA C 235 2.731 -7.687 12.765 1.00 55.43 H new ATOM 0 HB3 ALA C 235 3.051 -7.235 11.074 1.00 55.43 H new ATOM 2282 N CYS C 236 1.167 -6.934 9.234 1.00 62.23 N ATOM 2283 CA CYS C 236 0.756 -6.275 8.016 1.00 23.11 C ATOM 2284 C CYS C 236 1.873 -6.524 7.005 1.00 24.11 C ATOM 2285 O CYS C 236 3.038 -6.535 7.371 1.00 54.52 O ATOM 2286 CB CYS C 236 0.547 -4.748 8.254 1.00 75.22 C ATOM 2287 SG CYS C 236 -0.295 -3.862 6.886 1.00 13.51 S ATOM 0 H CYS C 236 2.108 -7.325 9.185 1.00 62.23 H new ATOM 0 HA CYS C 236 -0.196 -6.664 7.656 1.00 23.11 H new ATOM 0 HB2 CYS C 236 -0.034 -4.613 9.167 1.00 75.22 H new ATOM 0 HB3 CYS C 236 1.519 -4.285 8.424 1.00 75.22 H new ATOM 2292 N GLN C 237 1.528 -6.789 5.784 1.00 53.11 N ATOM 2293 CA GLN C 237 2.507 -7.094 4.755 1.00 60.23 C ATOM 2294 C GLN C 237 2.542 -6.077 3.676 1.00 51.24 C ATOM 2295 O GLN C 237 1.624 -5.978 2.884 1.00 71.53 O ATOM 2296 CB GLN C 237 2.305 -8.492 4.129 1.00 74.13 C ATOM 2297 CG GLN C 237 2.980 -9.633 4.858 1.00 71.02 C ATOM 2298 CD GLN C 237 2.550 -9.834 6.279 1.00 63.12 C ATOM 2299 OE1 GLN C 237 1.405 -9.580 6.661 1.00 30.33 O ATOM 2300 NE2 GLN C 237 3.471 -10.278 7.067 1.00 1.32 N ATOM 0 H GLN C 237 0.561 -6.803 5.459 1.00 53.11 H new ATOM 0 HA GLN C 237 3.465 -7.083 5.275 1.00 60.23 H new ATOM 0 HB2 GLN C 237 1.236 -8.698 4.078 1.00 74.13 H new ATOM 0 HB3 GLN C 237 2.674 -8.469 3.104 1.00 74.13 H new ATOM 0 HG2 GLN C 237 2.794 -10.554 4.306 1.00 71.02 H new ATOM 0 HG3 GLN C 237 4.057 -9.465 4.843 1.00 71.02 H new ATOM 0 HE21 GLN C 237 4.403 -10.473 6.703 1.00 1.32 H new ATOM 0 HE22 GLN C 237 3.266 -10.434 8.054 1.00 1.32 H new ATOM 2309 N ILE C 238 3.593 -5.325 3.637 1.00 53.25 N ATOM 2310 CA ILE C 238 3.787 -4.414 2.566 1.00 63.31 C ATOM 2311 C ILE C 238 4.841 -5.024 1.678 1.00 51.10 C ATOM 2312 O ILE C 238 5.949 -5.247 2.102 1.00 33.01 O ATOM 2313 CB ILE C 238 4.253 -3.031 3.065 1.00 2.24 C ATOM 2314 CG1 ILE C 238 3.261 -2.497 4.114 1.00 10.00 C ATOM 2315 CG2 ILE C 238 4.378 -2.060 1.888 1.00 30.34 C ATOM 2316 CD1 ILE C 238 3.589 -1.123 4.643 1.00 20.23 C ATOM 0 H ILE C 238 4.332 -5.327 4.340 1.00 53.25 H new ATOM 0 HA ILE C 238 2.849 -4.251 2.036 1.00 63.31 H new ATOM 0 HB ILE C 238 5.234 -3.127 3.531 1.00 2.24 H new ATOM 0 HG12 ILE C 238 2.264 -2.475 3.674 1.00 10.00 H new ATOM 0 HG13 ILE C 238 3.225 -3.195 4.950 1.00 10.00 H new ATOM 0 HG21 ILE C 238 4.708 -1.087 2.252 1.00 30.34 H new ATOM 0 HG22 ILE C 238 5.106 -2.446 1.174 1.00 30.34 H new ATOM 0 HG23 ILE C 238 3.410 -1.955 1.398 1.00 30.34 H new ATOM 0 HD11 ILE C 238 2.839 -0.827 5.376 1.00 20.23 H new ATOM 0 HD12 ILE C 238 4.571 -1.140 5.116 1.00 20.23 H new ATOM 0 HD13 ILE C 238 3.595 -0.408 3.820 1.00 20.23 H new ATOM 2328 N VAL C 239 4.479 -5.330 0.489 1.00 41.04 N ATOM 2329 CA VAL C 239 5.363 -5.994 -0.432 1.00 65.02 C ATOM 2330 C VAL C 239 5.738 -5.021 -1.545 1.00 34.42 C ATOM 2331 O VAL C 239 4.873 -4.305 -2.057 1.00 11.51 O ATOM 2332 CB VAL C 239 4.668 -7.254 -1.016 1.00 42.45 C ATOM 2333 CG1 VAL C 239 5.618 -8.055 -1.891 1.00 12.12 C ATOM 2334 CG2 VAL C 239 4.080 -8.126 0.110 1.00 72.05 C ATOM 0 H VAL C 239 3.553 -5.130 0.110 1.00 41.04 H new ATOM 0 HA VAL C 239 6.268 -6.313 0.085 1.00 65.02 H new ATOM 0 HB VAL C 239 3.846 -6.919 -1.648 1.00 42.45 H new ATOM 0 HG11 VAL C 239 5.100 -8.930 -2.284 1.00 12.12 H new ATOM 0 HG12 VAL C 239 5.961 -7.434 -2.719 1.00 12.12 H new ATOM 0 HG13 VAL C 239 6.475 -8.376 -1.299 1.00 12.12 H new ATOM 0 HG21 VAL C 239 3.598 -9.003 -0.323 1.00 72.05 H new ATOM 0 HG22 VAL C 239 4.880 -8.444 0.779 1.00 72.05 H new ATOM 0 HG23 VAL C 239 3.346 -7.549 0.672 1.00 72.05 H new ATOM 2344 N ALA C 240 6.997 -4.986 -1.921 1.00 44.33 N ATOM 2345 CA ALA C 240 7.456 -4.022 -2.891 1.00 22.53 C ATOM 2346 C ALA C 240 8.214 -4.664 -4.035 1.00 51.52 C ATOM 2347 O ALA C 240 9.058 -5.545 -3.842 1.00 32.41 O ATOM 2348 CB ALA C 240 8.323 -2.973 -2.221 1.00 62.14 C ATOM 0 H ALA C 240 7.719 -5.614 -1.569 1.00 44.33 H new ATOM 0 HA ALA C 240 6.569 -3.551 -3.314 1.00 22.53 H new ATOM 0 HB1 ALA C 240 8.662 -2.252 -2.965 1.00 62.14 H new ATOM 0 HB2 ALA C 240 7.744 -2.458 -1.454 1.00 62.14 H new ATOM 0 HB3 ALA C 240 9.187 -3.454 -1.762 1.00 62.14 H new ATOM 2354 N ARG C 241 7.915 -4.234 -5.228 1.00 41.43 N ATOM 2355 CA ARG C 241 8.633 -4.700 -6.366 1.00 63.25 C ATOM 2356 C ARG C 241 9.669 -3.688 -6.748 1.00 5.33 C ATOM 2357 O ARG C 241 9.332 -2.552 -7.090 1.00 1.15 O ATOM 2358 CB ARG C 241 7.723 -5.033 -7.552 1.00 43.44 C ATOM 2359 CG ARG C 241 6.820 -6.229 -7.311 1.00 13.25 C ATOM 2360 CD ARG C 241 6.145 -6.674 -8.590 1.00 20.42 C ATOM 2361 NE ARG C 241 5.528 -7.997 -8.443 1.00 2.40 N ATOM 2362 CZ ARG C 241 5.269 -8.836 -9.463 1.00 1.34 C ATOM 2363 NH1 ARG C 241 5.484 -8.450 -10.719 1.00 25.31 N ATOM 2364 NH2 ARG C 241 4.803 -10.066 -9.215 1.00 33.42 N ATOM 0 H ARG C 241 7.177 -3.560 -5.431 1.00 41.43 H new ATOM 0 HA ARG C 241 9.118 -5.637 -6.091 1.00 63.25 H new ATOM 0 HB2 ARG C 241 7.107 -4.164 -7.781 1.00 43.44 H new ATOM 0 HB3 ARG C 241 8.340 -5.226 -8.429 1.00 43.44 H new ATOM 0 HG2 ARG C 241 7.405 -7.052 -6.900 1.00 13.25 H new ATOM 0 HG3 ARG C 241 6.064 -5.973 -6.568 1.00 13.25 H new ATOM 0 HD2 ARG C 241 5.384 -5.946 -8.873 1.00 20.42 H new ATOM 0 HD3 ARG C 241 6.876 -6.701 -9.398 1.00 20.42 H new ATOM 0 HE ARG C 241 5.278 -8.302 -7.502 1.00 2.40 H new ATOM 0 HH11 ARG C 241 5.846 -7.516 -10.911 1.00 25.31 H new ATOM 0 HH12 ARG C 241 5.287 -9.088 -11.490 1.00 25.31 H new ATOM 0 HH21 ARG C 241 4.644 -10.367 -8.253 1.00 33.42 H new ATOM 0 HH22 ARG C 241 4.606 -10.702 -9.988 1.00 33.42 H new ATOM 2378 N LEU C 242 10.918 -4.087 -6.666 1.00 51.20 N ATOM 2379 CA LEU C 242 12.041 -3.217 -6.980 1.00 24.13 C ATOM 2380 C LEU C 242 12.062 -2.916 -8.462 1.00 15.22 C ATOM 2381 O LEU C 242 11.434 -3.629 -9.246 1.00 31.43 O ATOM 2382 CB LEU C 242 13.356 -3.886 -6.572 1.00 4.35 C ATOM 2383 CG LEU C 242 13.517 -4.246 -5.093 1.00 72.41 C ATOM 2384 CD1 LEU C 242 14.834 -4.963 -4.864 1.00 42.34 C ATOM 2385 CD2 LEU C 242 13.445 -3.003 -4.233 1.00 64.10 C ATOM 0 H LEU C 242 11.190 -5.027 -6.379 1.00 51.20 H new ATOM 0 HA LEU C 242 11.928 -2.285 -6.426 1.00 24.13 H new ATOM 0 HB2 LEU C 242 13.469 -4.798 -7.158 1.00 4.35 H new ATOM 0 HB3 LEU C 242 14.175 -3.224 -6.852 1.00 4.35 H new ATOM 0 HG LEU C 242 12.701 -4.912 -4.811 1.00 72.41 H new ATOM 0 HD11 LEU C 242 14.934 -5.212 -3.808 1.00 42.34 H new ATOM 0 HD12 LEU C 242 14.858 -5.878 -5.456 1.00 42.34 H new ATOM 0 HD13 LEU C 242 15.658 -4.315 -5.163 1.00 42.34 H new ATOM 0 HD21 LEU C 242 13.561 -3.279 -3.185 1.00 64.10 H new ATOM 0 HD22 LEU C 242 14.242 -2.316 -4.518 1.00 64.10 H new ATOM 0 HD23 LEU C 242 12.480 -2.517 -4.375 1.00 64.10 H new ATOM 2397 N LYS C 243 12.744 -1.853 -8.835 1.00 12.15 N ATOM 2398 CA LYS C 243 12.909 -1.431 -10.219 1.00 23.30 C ATOM 2399 C LYS C 243 13.493 -2.507 -11.151 1.00 3.12 C ATOM 2400 O LYS C 243 13.822 -3.617 -10.726 1.00 62.03 O ATOM 2401 CB LYS C 243 13.735 -0.182 -10.226 1.00 53.31 C ATOM 2402 CG LYS C 243 13.003 0.970 -9.592 1.00 42.11 C ATOM 2403 CD LYS C 243 13.905 2.124 -9.302 1.00 22.11 C ATOM 2404 CE LYS C 243 14.582 2.689 -10.550 1.00 73.40 C ATOM 2405 NZ LYS C 243 13.613 3.191 -11.547 1.00 24.30 N ATOM 0 H LYS C 243 13.213 -1.239 -8.169 1.00 12.15 H new ATOM 0 HA LYS C 243 11.918 -1.243 -10.631 1.00 23.30 H new ATOM 0 HB2 LYS C 243 14.668 -0.359 -9.691 1.00 53.31 H new ATOM 0 HB3 LYS C 243 13.999 0.074 -11.252 1.00 53.31 H new ATOM 0 HG2 LYS C 243 12.201 1.296 -10.254 1.00 42.11 H new ATOM 0 HG3 LYS C 243 12.536 0.635 -8.666 1.00 42.11 H new ATOM 0 HD2 LYS C 243 13.329 2.914 -8.820 1.00 22.11 H new ATOM 0 HD3 LYS C 243 14.670 1.809 -8.593 1.00 22.11 H new ATOM 0 HE2 LYS C 243 15.251 3.499 -10.260 1.00 73.40 H new ATOM 0 HE3 LYS C 243 15.198 1.914 -11.006 1.00 73.40 H new ATOM 0 HZ1 LYS C 243 14.125 3.639 -12.334 1.00 24.30 H new ATOM 0 HZ2 LYS C 243 13.046 2.398 -11.910 1.00 24.30 H new ATOM 0 HZ3 LYS C 243 12.986 3.890 -11.100 1.00 24.30 H new ATOM 2461 N ARG C 247 14.706 -7.773 -8.191 1.00 45.42 N ATOM 2462 CA ARG C 247 13.773 -8.790 -7.756 1.00 13.40 C ATOM 2463 C ARG C 247 12.592 -8.193 -6.979 1.00 50.23 C ATOM 2464 O ARG C 247 12.455 -6.973 -6.862 1.00 52.30 O ATOM 2465 CB ARG C 247 14.538 -9.760 -6.881 1.00 72.42 C ATOM 2466 CG ARG C 247 15.160 -9.098 -5.672 1.00 44.35 C ATOM 2467 CD ARG C 247 16.168 -9.988 -5.022 1.00 24.44 C ATOM 2468 NE ARG C 247 15.610 -11.221 -4.484 1.00 62.33 N ATOM 2469 CZ ARG C 247 16.229 -11.979 -3.574 1.00 54.40 C ATOM 2470 NH1 ARG C 247 17.378 -11.567 -3.031 1.00 31.41 N ATOM 2471 NH2 ARG C 247 15.686 -13.128 -3.186 1.00 33.33 N ATOM 0 HA ARG C 247 13.350 -9.291 -8.627 1.00 13.40 H new ATOM 0 HB2 ARG C 247 13.865 -10.551 -6.550 1.00 72.42 H new ATOM 0 HB3 ARG C 247 15.321 -10.235 -7.472 1.00 72.42 H new ATOM 0 HG2 ARG C 247 15.636 -8.164 -5.971 1.00 44.35 H new ATOM 0 HG3 ARG C 247 14.381 -8.843 -4.954 1.00 44.35 H new ATOM 0 HD2 ARG C 247 16.940 -10.238 -5.750 1.00 24.44 H new ATOM 0 HD3 ARG C 247 16.655 -9.440 -4.216 1.00 24.44 H new ATOM 0 HE ARG C 247 14.696 -11.523 -4.821 1.00 62.33 H new ATOM 0 HH11 ARG C 247 17.783 -10.674 -3.311 1.00 31.41 H new ATOM 0 HH12 ARG C 247 17.850 -12.146 -2.336 1.00 31.41 H new ATOM 0 HH21 ARG C 247 14.797 -13.431 -3.583 1.00 33.33 H new ATOM 0 HH22 ARG C 247 16.159 -13.707 -2.491 1.00 33.33 H new ATOM 2485 N GLN C 248 11.747 -9.060 -6.464 1.00 34.34 N ATOM 2486 CA GLN C 248 10.611 -8.656 -5.662 1.00 12.15 C ATOM 2487 C GLN C 248 10.925 -8.956 -4.204 1.00 4.11 C ATOM 2488 O GLN C 248 11.400 -10.056 -3.887 1.00 40.42 O ATOM 2489 CB GLN C 248 9.320 -9.409 -6.078 1.00 71.23 C ATOM 2490 CG GLN C 248 8.856 -9.210 -7.535 1.00 43.02 C ATOM 2491 CD GLN C 248 9.762 -9.846 -8.580 1.00 53.34 C ATOM 2492 OE1 GLN C 248 10.410 -10.862 -8.331 1.00 65.23 O ATOM 2493 NE2 GLN C 248 9.822 -9.253 -9.738 1.00 13.23 N ATOM 0 H GLN C 248 11.828 -10.069 -6.590 1.00 34.34 H new ATOM 0 HA GLN C 248 10.435 -7.591 -5.813 1.00 12.15 H new ATOM 0 HB2 GLN C 248 9.476 -10.475 -5.910 1.00 71.23 H new ATOM 0 HB3 GLN C 248 8.513 -9.097 -5.416 1.00 71.23 H new ATOM 0 HG2 GLN C 248 7.853 -9.623 -7.643 1.00 43.02 H new ATOM 0 HG3 GLN C 248 8.784 -8.141 -7.737 1.00 43.02 H new ATOM 0 HE21 GLN C 248 9.271 -8.412 -9.910 1.00 13.23 H new ATOM 0 HE22 GLN C 248 10.420 -9.629 -10.473 1.00 13.23 H new ATOM 2502 N VAL C 249 10.683 -8.004 -3.324 1.00 62.41 N ATOM 2503 CA VAL C 249 10.978 -8.182 -1.910 1.00 10.31 C ATOM 2504 C VAL C 249 9.801 -7.744 -1.049 1.00 43.23 C ATOM 2505 O VAL C 249 8.950 -6.965 -1.485 1.00 4.50 O ATOM 2506 CB VAL C 249 12.302 -7.464 -1.440 1.00 43.51 C ATOM 2507 CG1 VAL C 249 13.525 -7.991 -2.182 1.00 62.41 C ATOM 2508 CG2 VAL C 249 12.218 -5.950 -1.551 1.00 5.03 C ATOM 0 H VAL C 249 10.282 -7.097 -3.561 1.00 62.41 H new ATOM 0 HA VAL C 249 11.147 -9.251 -1.776 1.00 10.31 H new ATOM 0 HB VAL C 249 12.416 -7.704 -0.383 1.00 43.51 H new ATOM 0 HG11 VAL C 249 14.416 -7.471 -1.830 1.00 62.41 H new ATOM 0 HG12 VAL C 249 13.631 -9.060 -1.996 1.00 62.41 H new ATOM 0 HG13 VAL C 249 13.404 -7.819 -3.252 1.00 62.41 H new ATOM 0 HG21 VAL C 249 13.156 -5.508 -1.215 1.00 5.03 H new ATOM 0 HG22 VAL C 249 12.037 -5.671 -2.589 1.00 5.03 H new ATOM 0 HG23 VAL C 249 11.401 -5.584 -0.929 1.00 5.03 H new ATOM 2518 N CYS C 250 9.734 -8.243 0.139 1.00 14.12 N ATOM 2519 CA CYS C 250 8.662 -7.891 1.030 1.00 11.22 C ATOM 2520 C CYS C 250 9.234 -6.925 2.030 1.00 54.44 C ATOM 2521 O CYS C 250 10.375 -7.037 2.385 1.00 63.01 O ATOM 2522 CB CYS C 250 8.096 -9.139 1.714 1.00 5.12 C ATOM 2523 SG CYS C 250 7.515 -10.423 0.537 1.00 52.22 S ATOM 0 H CYS C 250 10.411 -8.902 0.525 1.00 14.12 H new ATOM 0 HA CYS C 250 7.833 -7.434 0.491 1.00 11.22 H new ATOM 0 HB2 CYS C 250 8.863 -9.569 2.358 1.00 5.12 H new ATOM 0 HB3 CYS C 250 7.266 -8.846 2.357 1.00 5.12 H new ATOM 2528 N ILE C 251 8.472 -5.970 2.457 1.00 12.24 N ATOM 2529 CA ILE C 251 9.000 -4.915 3.291 1.00 33.43 C ATOM 2530 C ILE C 251 8.401 -4.968 4.696 1.00 52.43 C ATOM 2531 O ILE C 251 7.228 -5.333 4.873 1.00 70.02 O ATOM 2532 CB ILE C 251 8.691 -3.530 2.651 1.00 33.54 C ATOM 2533 CG1 ILE C 251 9.200 -3.463 1.205 1.00 54.20 C ATOM 2534 CG2 ILE C 251 9.301 -2.412 3.458 1.00 41.00 C ATOM 2535 CD1 ILE C 251 10.694 -3.674 1.052 1.00 43.21 C ATOM 0 H ILE C 251 7.477 -5.890 2.246 1.00 12.24 H new ATOM 0 HA ILE C 251 10.078 -5.056 3.369 1.00 33.43 H new ATOM 0 HB ILE C 251 7.608 -3.409 2.646 1.00 33.54 H new ATOM 0 HG12 ILE C 251 8.678 -4.216 0.614 1.00 54.20 H new ATOM 0 HG13 ILE C 251 8.939 -2.491 0.786 1.00 54.20 H new ATOM 0 HG21 ILE C 251 9.070 -1.456 2.988 1.00 41.00 H new ATOM 0 HG22 ILE C 251 8.893 -2.428 4.469 1.00 41.00 H new ATOM 0 HG23 ILE C 251 10.382 -2.543 3.501 1.00 41.00 H new ATOM 0 HD11 ILE C 251 10.964 -3.610 -0.002 1.00 43.21 H new ATOM 0 HD12 ILE C 251 11.229 -2.906 1.611 1.00 43.21 H new ATOM 0 HD13 ILE C 251 10.964 -4.658 1.437 1.00 43.21 H new ATOM 2547 N ASP C 252 9.219 -4.631 5.685 1.00 33.53 N ATOM 2548 CA ASP C 252 8.787 -4.556 7.077 1.00 5.43 C ATOM 2549 C ASP C 252 7.911 -3.306 7.244 1.00 23.00 C ATOM 2550 O ASP C 252 8.355 -2.193 6.938 1.00 25.32 O ATOM 2551 CB ASP C 252 10.015 -4.456 8.016 1.00 41.33 C ATOM 2552 CG ASP C 252 9.658 -4.582 9.495 1.00 22.42 C ATOM 2553 OD1 ASP C 252 8.911 -3.751 10.019 1.00 14.21 O ATOM 2554 OD2 ASP C 252 10.141 -5.535 10.161 1.00 15.15 O ATOM 0 H ASP C 252 10.203 -4.401 5.545 1.00 33.53 H new ATOM 0 HA ASP C 252 8.225 -5.453 7.336 1.00 5.43 H new ATOM 0 HB2 ASP C 252 10.728 -5.238 7.754 1.00 41.33 H new ATOM 0 HB3 ASP C 252 10.513 -3.501 7.850 1.00 41.33 H new ATOM 2559 N PRO C 253 6.658 -3.457 7.702 1.00 22.35 N ATOM 2560 CA PRO C 253 5.747 -2.321 7.877 1.00 51.42 C ATOM 2561 C PRO C 253 6.171 -1.328 8.992 1.00 60.02 C ATOM 2562 O PRO C 253 5.576 -0.269 9.138 1.00 53.12 O ATOM 2563 CB PRO C 253 4.392 -2.964 8.201 1.00 24.33 C ATOM 2564 CG PRO C 253 4.692 -4.359 8.636 1.00 53.03 C ATOM 2565 CD PRO C 253 6.022 -4.743 8.036 1.00 72.15 C ATOM 0 HA PRO C 253 5.735 -1.706 6.977 1.00 51.42 H new ATOM 0 HB2 PRO C 253 3.877 -2.413 8.987 1.00 24.33 H new ATOM 0 HB3 PRO C 253 3.739 -2.959 7.328 1.00 24.33 H new ATOM 0 HG2 PRO C 253 4.729 -4.422 9.724 1.00 53.03 H new ATOM 0 HG3 PRO C 253 3.910 -5.041 8.303 1.00 53.03 H new ATOM 0 HD2 PRO C 253 6.626 -5.314 8.741 1.00 72.15 H new ATOM 0 HD3 PRO C 253 5.894 -5.365 7.150 1.00 72.15 H new ATOM 2573 N LYS C 254 7.193 -1.672 9.756 1.00 43.34 N ATOM 2574 CA LYS C 254 7.697 -0.830 10.830 1.00 42.42 C ATOM 2575 C LYS C 254 9.174 -0.513 10.595 1.00 54.54 C ATOM 2576 O LYS C 254 9.936 -0.292 11.525 1.00 55.42 O ATOM 2577 CB LYS C 254 7.504 -1.549 12.156 1.00 30.11 C ATOM 2578 CG LYS C 254 6.047 -1.857 12.456 1.00 12.53 C ATOM 2579 CD LYS C 254 5.872 -2.536 13.798 1.00 22.04 C ATOM 2580 CE LYS C 254 6.581 -3.872 13.840 1.00 3.22 C ATOM 2581 NZ LYS C 254 6.414 -4.545 15.135 1.00 24.22 N ATOM 0 H LYS C 254 7.701 -2.550 9.649 1.00 43.34 H new ATOM 0 HA LYS C 254 7.148 0.111 10.852 1.00 42.42 H new ATOM 0 HB2 LYS C 254 8.072 -2.479 12.145 1.00 30.11 H new ATOM 0 HB3 LYS C 254 7.913 -0.936 12.959 1.00 30.11 H new ATOM 0 HG2 LYS C 254 5.471 -0.932 12.441 1.00 12.53 H new ATOM 0 HG3 LYS C 254 5.643 -2.497 11.671 1.00 12.53 H new ATOM 0 HD2 LYS C 254 6.261 -1.892 14.586 1.00 22.04 H new ATOM 0 HD3 LYS C 254 4.810 -2.680 13.999 1.00 22.04 H new ATOM 0 HE2 LYS C 254 6.195 -4.512 13.047 1.00 3.22 H new ATOM 0 HE3 LYS C 254 7.643 -3.725 13.642 1.00 3.22 H new ATOM 0 HZ1 LYS C 254 6.915 -5.456 15.120 1.00 24.22 H new ATOM 0 HZ2 LYS C 254 6.806 -3.947 15.890 1.00 24.22 H new ATOM 0 HZ3 LYS C 254 5.403 -4.709 15.313 1.00 24.22 H new ATOM 2595 N LEU C 255 9.538 -0.464 9.338 1.00 21.11 N ATOM 2596 CA LEU C 255 10.876 -0.229 8.896 1.00 63.12 C ATOM 2597 C LEU C 255 11.393 1.204 9.252 1.00 70.12 C ATOM 2598 O LEU C 255 12.153 1.380 10.194 1.00 52.02 O ATOM 2599 CB LEU C 255 10.872 -0.454 7.395 1.00 21.42 C ATOM 2600 CG LEU C 255 12.167 -0.813 6.739 1.00 74.23 C ATOM 2601 CD1 LEU C 255 11.904 -1.161 5.300 1.00 61.44 C ATOM 2602 CD2 LEU C 255 13.228 0.273 6.847 1.00 61.32 C ATOM 0 H LEU C 255 8.879 -0.593 8.570 1.00 21.11 H new ATOM 0 HA LEU C 255 11.561 -0.908 9.404 1.00 63.12 H new ATOM 0 HB2 LEU C 255 10.156 -1.246 7.177 1.00 21.42 H new ATOM 0 HB3 LEU C 255 10.497 0.454 6.922 1.00 21.42 H new ATOM 0 HG LEU C 255 12.576 -1.672 7.271 1.00 74.23 H new ATOM 0 HD11 LEU C 255 12.842 -1.424 4.812 1.00 61.44 H new ATOM 0 HD12 LEU C 255 11.219 -2.007 5.250 1.00 61.44 H new ATOM 0 HD13 LEU C 255 11.460 -0.304 4.794 1.00 61.44 H new ATOM 0 HD21 LEU C 255 14.139 -0.058 6.349 1.00 61.32 H new ATOM 0 HD22 LEU C 255 12.865 1.185 6.372 1.00 61.32 H new ATOM 0 HD23 LEU C 255 13.440 0.471 7.898 1.00 61.32 H new ATOM 2614 N LYS C 256 10.968 2.194 8.458 1.00 32.45 N ATOM 2615 CA LYS C 256 11.363 3.612 8.589 1.00 34.52 C ATOM 2616 C LYS C 256 10.810 4.390 7.420 1.00 23.41 C ATOM 2617 O LYS C 256 10.012 5.302 7.590 1.00 54.44 O ATOM 2618 CB LYS C 256 12.891 3.841 8.634 1.00 12.53 C ATOM 2619 CG LYS C 256 13.208 5.322 8.842 1.00 0.32 C ATOM 2620 CD LYS C 256 14.683 5.672 8.999 1.00 5.34 C ATOM 2621 CE LYS C 256 15.516 5.590 7.706 1.00 34.43 C ATOM 2622 NZ LYS C 256 15.724 4.220 7.186 1.00 22.25 N ATOM 0 H LYS C 256 10.323 2.033 7.685 1.00 32.45 H new ATOM 0 HA LYS C 256 10.957 3.950 9.543 1.00 34.52 H new ATOM 0 HB2 LYS C 256 13.328 3.253 9.441 1.00 12.53 H new ATOM 0 HB3 LYS C 256 13.344 3.494 7.705 1.00 12.53 H new ATOM 0 HG2 LYS C 256 12.810 5.881 7.995 1.00 0.32 H new ATOM 0 HG3 LYS C 256 12.677 5.666 9.729 1.00 0.32 H new ATOM 0 HD2 LYS C 256 14.760 6.683 9.399 1.00 5.34 H new ATOM 0 HD3 LYS C 256 15.122 5.003 9.739 1.00 5.34 H new ATOM 0 HE2 LYS C 256 15.025 6.185 6.936 1.00 34.43 H new ATOM 0 HE3 LYS C 256 16.489 6.046 7.888 1.00 34.43 H new ATOM 0 HZ1 LYS C 256 16.675 4.146 6.773 1.00 22.25 H new ATOM 0 HZ2 LYS C 256 15.630 3.536 7.963 1.00 22.25 H new ATOM 0 HZ3 LYS C 256 15.012 4.014 6.456 1.00 22.25 H new ATOM 2636 N TRP C 257 11.235 4.024 6.202 1.00 32.41 N ATOM 2637 CA TRP C 257 10.743 4.714 5.021 1.00 11.11 C ATOM 2638 C TRP C 257 9.287 4.416 4.799 1.00 12.23 C ATOM 2639 O TRP C 257 8.574 5.210 4.214 1.00 23.12 O ATOM 2640 CB TRP C 257 11.594 4.475 3.768 1.00 32.11 C ATOM 2641 CG TRP C 257 11.749 3.050 3.325 1.00 24.25 C ATOM 2642 CD1 TRP C 257 12.723 2.181 3.698 1.00 31.42 C ATOM 2643 CD2 TRP C 257 10.926 2.342 2.393 1.00 33.10 C ATOM 2644 NE1 TRP C 257 12.562 0.992 3.060 1.00 53.24 N ATOM 2645 CE2 TRP C 257 11.469 1.061 2.252 1.00 61.30 C ATOM 2646 CE3 TRP C 257 9.783 2.670 1.666 1.00 23.12 C ATOM 2647 CZ2 TRP C 257 10.921 0.105 1.414 1.00 1.22 C ATOM 2648 CZ3 TRP C 257 9.238 1.724 0.833 1.00 21.24 C ATOM 2649 CH2 TRP C 257 9.810 0.452 0.712 1.00 23.12 C ATOM 0 H TRP C 257 11.901 3.273 6.020 1.00 32.41 H new ATOM 0 HA TRP C 257 10.840 5.782 5.217 1.00 11.11 H new ATOM 0 HB2 TRP C 257 11.157 5.042 2.946 1.00 32.11 H new ATOM 0 HB3 TRP C 257 12.587 4.887 3.947 1.00 32.11 H new ATOM 0 HD1 TRP C 257 13.512 2.403 4.401 1.00 31.42 H new ATOM 0 HE1 TRP C 257 13.165 0.177 3.169 1.00 53.24 H new ATOM 0 HE3 TRP C 257 9.335 3.649 1.756 1.00 23.12 H new ATOM 0 HZ2 TRP C 257 11.359 -0.878 1.322 1.00 1.22 H new ATOM 0 HZ3 TRP C 257 8.354 1.965 0.262 1.00 21.24 H new ATOM 0 HH2 TRP C 257 9.359 -0.269 0.047 1.00 23.12 H new ATOM 2660 N ILE C 258 8.861 3.251 5.271 1.00 22.12 N ATOM 2661 CA ILE C 258 7.461 2.899 5.281 1.00 34.02 C ATOM 2662 C ILE C 258 6.696 3.908 6.129 1.00 3.14 C ATOM 2663 O ILE C 258 5.696 4.456 5.693 1.00 4.31 O ATOM 2664 CB ILE C 258 7.252 1.458 5.820 1.00 61.20 C ATOM 2665 CG1 ILE C 258 7.774 0.429 4.812 1.00 23.44 C ATOM 2666 CG2 ILE C 258 5.798 1.190 6.165 1.00 20.32 C ATOM 2667 CD1 ILE C 258 7.066 0.464 3.466 1.00 24.44 C ATOM 0 H ILE C 258 9.477 2.534 5.653 1.00 22.12 H new ATOM 0 HA ILE C 258 7.081 2.924 4.260 1.00 34.02 H new ATOM 0 HB ILE C 258 7.824 1.363 6.743 1.00 61.20 H new ATOM 0 HG12 ILE C 258 8.839 0.598 4.655 1.00 23.44 H new ATOM 0 HG13 ILE C 258 7.669 -0.568 5.240 1.00 23.44 H new ATOM 0 HG21 ILE C 258 5.694 0.171 6.538 1.00 20.32 H new ATOM 0 HG22 ILE C 258 5.470 1.892 6.931 1.00 20.32 H new ATOM 0 HG23 ILE C 258 5.184 1.314 5.273 1.00 20.32 H new ATOM 0 HD11 ILE C 258 7.494 -0.294 2.810 1.00 24.44 H new ATOM 0 HD12 ILE C 258 6.004 0.263 3.608 1.00 24.44 H new ATOM 0 HD13 ILE C 258 7.192 1.448 3.014 1.00 24.44 H new ATOM 2679 N GLN C 259 7.213 4.161 7.320 1.00 71.44 N ATOM 2680 CA GLN C 259 6.663 5.141 8.245 1.00 22.15 C ATOM 2681 C GLN C 259 6.549 6.478 7.602 1.00 4.45 C ATOM 2682 O GLN C 259 5.482 7.060 7.571 1.00 62.12 O ATOM 2683 CB GLN C 259 7.507 5.207 9.545 1.00 23.55 C ATOM 2684 CG GLN C 259 7.146 4.163 10.559 1.00 71.32 C ATOM 2685 CD GLN C 259 7.188 2.774 10.012 1.00 43.24 C ATOM 2686 OE1 GLN C 259 8.014 2.420 9.149 1.00 3.20 O ATOM 2687 NE2 GLN C 259 6.264 2.012 10.426 1.00 13.44 N ATOM 0 H GLN C 259 8.040 3.684 7.678 1.00 71.44 H new ATOM 0 HA GLN C 259 5.657 4.822 8.518 1.00 22.15 H new ATOM 0 HB2 GLN C 259 8.561 5.100 9.288 1.00 23.55 H new ATOM 0 HB3 GLN C 259 7.387 6.193 9.995 1.00 23.55 H new ATOM 0 HG2 GLN C 259 7.830 4.235 11.404 1.00 71.32 H new ATOM 0 HG3 GLN C 259 6.145 4.367 10.940 1.00 71.32 H new ATOM 0 HE21 GLN C 259 5.609 2.343 11.134 1.00 13.44 H new ATOM 0 HE22 GLN C 259 6.175 1.068 10.051 1.00 13.44 H new ATOM 2696 N GLU C 260 7.624 6.920 7.032 1.00 14.12 N ATOM 2697 CA GLU C 260 7.649 8.155 6.328 1.00 22.41 C ATOM 2698 C GLU C 260 6.661 8.197 5.191 1.00 50.35 C ATOM 2699 O GLU C 260 5.930 9.171 5.051 1.00 34.04 O ATOM 2700 CB GLU C 260 9.036 8.449 5.821 1.00 41.25 C ATOM 2701 CG GLU C 260 9.953 8.995 6.864 1.00 31.12 C ATOM 2702 CD GLU C 260 9.435 10.322 7.359 1.00 52.31 C ATOM 2703 OE1 GLU C 260 9.054 11.179 6.505 1.00 1.55 O ATOM 2704 OE2 GLU C 260 9.394 10.539 8.570 1.00 41.51 O ATOM 0 H GLU C 260 8.517 6.426 7.044 1.00 14.12 H new ATOM 0 HA GLU C 260 7.353 8.926 7.040 1.00 22.41 H new ATOM 0 HB2 GLU C 260 9.466 7.534 5.415 1.00 41.25 H new ATOM 0 HB3 GLU C 260 8.969 9.162 4.999 1.00 41.25 H new ATOM 0 HG2 GLU C 260 10.032 8.293 7.694 1.00 31.12 H new ATOM 0 HG3 GLU C 260 10.955 9.117 6.452 1.00 31.12 H new ATOM 2711 N TYR C 261 6.641 7.167 4.391 1.00 41.31 N ATOM 2712 CA TYR C 261 5.797 7.146 3.224 1.00 62.31 C ATOM 2713 C TYR C 261 4.316 7.100 3.605 1.00 52.53 C ATOM 2714 O TYR C 261 3.519 7.875 3.073 1.00 4.24 O ATOM 2715 CB TYR C 261 6.157 5.988 2.294 1.00 24.03 C ATOM 2716 CG TYR C 261 5.538 6.122 0.927 1.00 44.11 C ATOM 2717 CD1 TYR C 261 6.151 6.912 -0.031 1.00 45.53 C ATOM 2718 CD2 TYR C 261 4.354 5.476 0.591 1.00 3.40 C ATOM 2719 CE1 TYR C 261 5.613 7.067 -1.281 1.00 43.34 C ATOM 2720 CE2 TYR C 261 3.801 5.619 -0.664 1.00 50.31 C ATOM 2721 CZ TYR C 261 4.431 6.418 -1.600 1.00 71.04 C ATOM 2722 OH TYR C 261 3.887 6.565 -2.860 1.00 73.11 O ATOM 0 H TYR C 261 7.202 6.326 4.525 1.00 41.31 H new ATOM 0 HA TYR C 261 5.973 8.075 2.682 1.00 62.31 H new ATOM 0 HB2 TYR C 261 7.241 5.933 2.193 1.00 24.03 H new ATOM 0 HB3 TYR C 261 5.831 5.051 2.745 1.00 24.03 H new ATOM 0 HD1 TYR C 261 7.074 7.417 0.213 1.00 45.53 H new ATOM 0 HD2 TYR C 261 3.861 4.854 1.323 1.00 3.40 H new ATOM 0 HE1 TYR C 261 6.106 7.690 -2.012 1.00 43.34 H new ATOM 0 HE2 TYR C 261 2.882 5.110 -0.914 1.00 50.31 H new ATOM 0 HH TYR C 261 3.059 6.044 -2.922 1.00 73.11 H new ATOM 2732 N LEU C 262 3.957 6.226 4.542 1.00 42.01 N ATOM 2733 CA LEU C 262 2.564 6.107 4.960 1.00 25.04 C ATOM 2734 C LEU C 262 2.123 7.376 5.633 1.00 75.42 C ATOM 2735 O LEU C 262 1.113 7.952 5.255 1.00 63.20 O ATOM 2736 CB LEU C 262 2.345 4.923 5.904 1.00 31.42 C ATOM 2737 CG LEU C 262 2.718 3.542 5.371 1.00 14.32 C ATOM 2738 CD1 LEU C 262 2.397 2.468 6.398 1.00 2.35 C ATOM 2739 CD2 LEU C 262 2.023 3.247 4.049 1.00 14.31 C ATOM 0 H LEU C 262 4.602 5.598 5.021 1.00 42.01 H new ATOM 0 HA LEU C 262 1.968 5.932 4.064 1.00 25.04 H new ATOM 0 HB2 LEU C 262 2.918 5.103 6.814 1.00 31.42 H new ATOM 0 HB3 LEU C 262 1.293 4.905 6.189 1.00 31.42 H new ATOM 0 HG LEU C 262 3.792 3.537 5.187 1.00 14.32 H new ATOM 0 HD11 LEU C 262 2.670 1.491 6.000 1.00 2.35 H new ATOM 0 HD12 LEU C 262 2.961 2.658 7.311 1.00 2.35 H new ATOM 0 HD13 LEU C 262 1.330 2.484 6.620 1.00 2.35 H new ATOM 0 HD21 LEU C 262 2.312 2.256 3.699 1.00 14.31 H new ATOM 0 HD22 LEU C 262 0.943 3.281 4.190 1.00 14.31 H new ATOM 0 HD23 LEU C 262 2.316 3.992 3.310 1.00 14.31 H new ATOM 2751 N GLU C 263 2.908 7.831 6.613 1.00 54.20 N ATOM 2752 CA GLU C 263 2.618 9.085 7.315 1.00 23.52 C ATOM 2753 C GLU C 263 2.474 10.312 6.388 1.00 71.42 C ATOM 2754 O GLU C 263 1.737 11.247 6.721 1.00 65.41 O ATOM 2755 CB GLU C 263 3.623 9.358 8.437 1.00 55.11 C ATOM 2756 CG GLU C 263 3.514 8.385 9.602 1.00 71.42 C ATOM 2757 CD GLU C 263 4.426 8.738 10.753 1.00 72.52 C ATOM 2758 OE1 GLU C 263 4.008 9.570 11.617 1.00 72.43 O ATOM 2759 OE2 GLU C 263 5.547 8.217 10.822 1.00 2.22 O ATOM 0 H GLU C 263 3.747 7.351 6.938 1.00 54.20 H new ATOM 0 HA GLU C 263 1.635 8.933 7.762 1.00 23.52 H new ATOM 0 HB2 GLU C 263 4.633 9.311 8.029 1.00 55.11 H new ATOM 0 HB3 GLU C 263 3.475 10.373 8.807 1.00 55.11 H new ATOM 0 HG2 GLU C 263 2.483 8.364 9.956 1.00 71.42 H new ATOM 0 HG3 GLU C 263 3.751 7.380 9.252 1.00 71.42 H new ATOM 2766 N LYS C 264 3.173 10.333 5.252 1.00 24.51 N ATOM 2767 CA LYS C 264 3.029 11.453 4.345 1.00 5.23 C ATOM 2768 C LYS C 264 1.972 11.255 3.285 1.00 62.42 C ATOM 2769 O LYS C 264 1.491 12.227 2.717 1.00 15.25 O ATOM 2770 CB LYS C 264 4.314 11.879 3.733 1.00 10.40 C ATOM 2771 CG LYS C 264 5.000 10.904 2.840 1.00 1.13 C ATOM 2772 CD LYS C 264 6.159 11.584 2.200 1.00 62.03 C ATOM 2773 CE LYS C 264 7.175 12.101 3.223 1.00 65.14 C ATOM 2774 NZ LYS C 264 7.775 11.029 4.046 1.00 44.44 N ATOM 0 H LYS C 264 3.823 9.607 4.951 1.00 24.51 H new ATOM 0 HA LYS C 264 2.682 12.264 4.985 1.00 5.23 H new ATOM 0 HB2 LYS C 264 4.131 12.789 3.162 1.00 10.40 H new ATOM 0 HB3 LYS C 264 5.001 12.141 4.538 1.00 10.40 H new ATOM 0 HG2 LYS C 264 5.337 10.039 3.411 1.00 1.13 H new ATOM 0 HG3 LYS C 264 4.310 10.536 2.081 1.00 1.13 H new ATOM 0 HD2 LYS C 264 6.654 10.890 1.521 1.00 62.03 H new ATOM 0 HD3 LYS C 264 5.799 12.418 1.597 1.00 62.03 H new ATOM 0 HE2 LYS C 264 7.968 12.634 2.699 1.00 65.14 H new ATOM 0 HE3 LYS C 264 6.686 12.822 3.878 1.00 65.14 H new ATOM 0 HZ1 LYS C 264 8.388 11.451 4.773 1.00 44.44 H new ATOM 0 HZ2 LYS C 264 7.020 10.480 4.505 1.00 44.44 H new ATOM 0 HZ3 LYS C 264 8.340 10.400 3.439 1.00 44.44 H new ATOM 2788 N CYS C 265 1.610 10.003 3.021 1.00 65.53 N ATOM 2789 CA CYS C 265 0.565 9.653 2.008 1.00 63.24 C ATOM 2790 C CYS C 265 -0.767 10.357 2.319 1.00 54.35 C ATOM 2791 O CYS C 265 -1.586 10.578 1.427 1.00 34.35 O ATOM 2792 CB CYS C 265 0.399 8.110 1.891 1.00 74.31 C ATOM 2793 SG CYS C 265 -0.872 7.495 0.701 1.00 74.12 S ATOM 0 H CYS C 265 2.017 9.193 3.488 1.00 65.53 H new ATOM 0 HA CYS C 265 0.897 10.016 1.035 1.00 63.24 H new ATOM 0 HB2 CYS C 265 1.362 7.686 1.608 1.00 74.31 H new ATOM 0 HB3 CYS C 265 0.156 7.719 2.879 1.00 74.31 H new ATOM 2798 N LEU C 266 -0.939 10.746 3.591 1.00 21.12 N ATOM 2799 CA LEU C 266 -2.093 11.528 4.050 1.00 15.24 C ATOM 2800 C LEU C 266 -2.207 12.863 3.291 1.00 23.21 C ATOM 2801 O LEU C 266 -3.313 13.386 3.107 1.00 63.41 O ATOM 2802 CB LEU C 266 -2.008 11.834 5.580 1.00 2.13 C ATOM 2803 CG LEU C 266 -2.233 10.683 6.600 1.00 22.35 C ATOM 2804 CD1 LEU C 266 -3.605 10.083 6.456 1.00 31.54 C ATOM 2805 CD2 LEU C 266 -1.170 9.615 6.515 1.00 30.23 C ATOM 0 H LEU C 266 -0.276 10.525 4.334 1.00 21.12 H new ATOM 0 HA LEU C 266 -2.975 10.919 3.851 1.00 15.24 H new ATOM 0 HB2 LEU C 266 -1.022 12.257 5.775 1.00 2.13 H new ATOM 0 HB3 LEU C 266 -2.738 12.613 5.799 1.00 2.13 H new ATOM 0 HG LEU C 266 -2.156 11.131 7.590 1.00 22.35 H new ATOM 0 HD11 LEU C 266 -3.730 9.281 7.184 1.00 31.54 H new ATOM 0 HD12 LEU C 266 -4.358 10.851 6.630 1.00 31.54 H new ATOM 0 HD13 LEU C 266 -3.723 9.681 5.450 1.00 31.54 H new ATOM 0 HD21 LEU C 266 -1.377 8.836 7.249 1.00 30.23 H new ATOM 0 HD22 LEU C 266 -1.170 9.180 5.515 1.00 30.23 H new ATOM 0 HD23 LEU C 266 -0.194 10.056 6.719 1.00 30.23 H new ATOM 2817 N ASN C 267 -1.074 13.405 2.840 1.00 25.50 N ATOM 2818 CA ASN C 267 -1.084 14.700 2.181 1.00 22.55 C ATOM 2819 C ASN C 267 -0.249 14.701 0.910 1.00 63.24 C ATOM 2820 O ASN C 267 -0.790 14.808 -0.196 1.00 13.21 O ATOM 2821 CB ASN C 267 -0.620 15.802 3.142 1.00 54.03 C ATOM 2822 CG ASN C 267 -0.863 17.188 2.579 1.00 4.20 C ATOM 2823 OD1 ASN C 267 -1.924 17.774 2.781 1.00 25.14 O ATOM 2824 ND2 ASN C 267 0.093 17.725 1.886 1.00 30.51 N ATOM 0 H ASN C 267 -0.154 12.971 2.920 1.00 25.50 H new ATOM 0 HA ASN C 267 -2.113 14.906 1.888 1.00 22.55 H new ATOM 0 HB2 ASN C 267 -1.145 15.699 4.091 1.00 54.03 H new ATOM 0 HB3 ASN C 267 0.443 15.677 3.351 1.00 54.03 H new ATOM 0 HD21 ASN C 267 -0.025 18.658 1.492 1.00 30.51 H new ATOM 0 HD22 ASN C 267 0.963 17.214 1.735 1.00 30.51 H new ATOM 3120 N GLY D 319 13.910 -12.241 3.043 1.00 53.24 N ATOM 3121 CA GLY D 319 14.206 -12.480 4.437 1.00 13.30 C ATOM 3122 C GLY D 319 15.639 -12.142 4.688 1.00 31.33 C ATOM 3123 O GLY D 319 16.369 -12.869 5.374 1.00 11.22 O ATOM 0 HA2 GLY D 319 13.558 -11.873 5.070 1.00 13.30 H new ATOM 0 HA3 GLY D 319 14.014 -13.523 4.691 1.00 13.30 H new ATOM 3127 N ASP D 320 16.051 -11.044 4.122 1.00 71.21 N ATOM 3128 CA ASP D 320 17.426 -10.652 4.139 1.00 11.24 C ATOM 3129 C ASP D 320 17.457 -9.128 4.122 1.00 30.24 C ATOM 3130 O ASP D 320 16.418 -8.511 4.395 1.00 73.14 O ATOM 3131 CB ASP D 320 18.069 -11.228 2.894 1.00 52.04 C ATOM 3132 CG ASP D 320 19.572 -11.284 2.933 1.00 11.50 C ATOM 3133 OD1 ASP D 320 20.113 -12.287 3.461 1.00 14.10 O ATOM 3134 OD2 ASP D 320 20.237 -10.366 2.415 1.00 74.41 O ATOM 0 H ASP D 320 15.436 -10.393 3.633 1.00 71.21 H new ATOM 0 HA ASP D 320 17.963 -11.011 5.017 1.00 11.24 H new ATOM 0 HB2 ASP D 320 17.685 -12.236 2.736 1.00 52.04 H new ATOM 0 HB3 ASP D 320 17.763 -10.632 2.034 1.00 52.04 H new ATOM 3163 N ASP D 322 19.088 -7.256 6.210 1.00 53.13 N ATOM 3164 CA ASP D 322 18.856 -7.132 7.639 1.00 23.33 C ATOM 3165 C ASP D 322 17.581 -7.806 8.013 1.00 65.22 C ATOM 3166 O ASP D 322 17.592 -8.808 8.713 1.00 53.03 O ATOM 3167 CB ASP D 322 18.888 -5.706 8.152 1.00 51.42 C ATOM 3168 CG ASP D 322 20.264 -5.105 8.171 1.00 64.35 C ATOM 3169 OD1 ASP D 322 20.696 -4.538 7.155 1.00 55.22 O ATOM 3170 OD2 ASP D 322 20.933 -5.158 9.224 1.00 23.14 O ATOM 0 HA ASP D 322 19.693 -7.632 8.127 1.00 23.33 H new ATOM 0 HB2 ASP D 322 18.240 -5.090 7.529 1.00 51.42 H new ATOM 0 HB3 ASP D 322 18.476 -5.682 9.161 1.00 51.42 H new ATOM 3175 N SER D 323 16.479 -7.251 7.543 1.00 64.55 N ATOM 3176 CA SER D 323 15.166 -7.822 7.718 1.00 52.52 C ATOM 3177 C SER D 323 14.566 -7.584 9.141 1.00 14.20 C ATOM 3178 O SER D 323 13.445 -7.999 9.436 1.00 43.34 O ATOM 3179 CB SER D 323 15.152 -9.304 7.201 1.00 21.21 C ATOM 3180 OG SER D 323 13.944 -9.997 7.468 1.00 75.14 O ATOM 0 H SER D 323 16.477 -6.375 7.020 1.00 64.55 H new ATOM 0 HA SER D 323 14.459 -7.281 7.089 1.00 52.52 H new ATOM 0 HB2 SER D 323 15.329 -9.304 6.125 1.00 21.21 H new ATOM 0 HB3 SER D 323 15.979 -9.846 7.660 1.00 21.21 H new ATOM 0 HG SER D 323 13.221 -9.614 6.928 1.00 75.14 H new ATOM 3186 N MET D 324 15.305 -6.883 10.000 1.00 4.10 N ATOM 3187 CA MET D 324 14.787 -6.471 11.317 1.00 73.23 C ATOM 3188 C MET D 324 14.943 -4.971 11.483 1.00 55.22 C ATOM 3189 O MET D 324 16.013 -4.428 11.184 1.00 15.44 O ATOM 3190 CB MET D 324 15.471 -7.184 12.518 1.00 20.21 C ATOM 3191 CG MET D 324 15.224 -8.689 12.664 1.00 22.02 C ATOM 3192 SD MET D 324 16.020 -9.710 11.403 1.00 2.23 S ATOM 3193 CE MET D 324 17.755 -9.381 11.752 1.00 24.41 C ATOM 0 H MET D 324 16.263 -6.586 9.814 1.00 4.10 H new ATOM 0 HA MET D 324 13.738 -6.765 11.331 1.00 73.23 H new ATOM 0 HB2 MET D 324 16.546 -7.023 12.440 1.00 20.21 H new ATOM 0 HB3 MET D 324 15.141 -6.696 13.435 1.00 20.21 H new ATOM 0 HG2 MET D 324 15.575 -9.008 13.645 1.00 22.02 H new ATOM 0 HG3 MET D 324 14.150 -8.872 12.635 1.00 22.02 H new ATOM 0 HE1 MET D 324 18.369 -10.174 11.325 1.00 24.41 H new ATOM 0 HE2 MET D 324 18.040 -8.425 11.312 1.00 24.41 H new ATOM 0 HE3 MET D 324 17.909 -9.344 12.831 1.00 24.41 H new ATOM 3203 N LYS D 325 13.884 -4.306 11.921 1.00 74.24 N ATOM 3204 CA LYS D 325 13.887 -2.868 12.192 1.00 4.53 C ATOM 3205 C LYS D 325 12.796 -2.469 13.149 1.00 72.03 C ATOM 3206 O LYS D 325 11.723 -3.073 13.171 1.00 31.30 O ATOM 3207 CB LYS D 325 13.771 -2.012 10.912 1.00 41.23 C ATOM 3208 CG LYS D 325 15.090 -1.560 10.312 1.00 71.42 C ATOM 3209 CD LYS D 325 15.763 -0.556 11.242 1.00 62.20 C ATOM 3210 CE LYS D 325 14.993 0.770 11.344 1.00 60.35 C ATOM 3211 NZ LYS D 325 15.606 1.702 12.318 1.00 45.23 N ATOM 0 H LYS D 325 12.985 -4.752 12.102 1.00 74.24 H new ATOM 0 HA LYS D 325 14.857 -2.671 12.649 1.00 4.53 H new ATOM 0 HB2 LYS D 325 13.226 -2.583 10.161 1.00 41.23 H new ATOM 0 HB3 LYS D 325 13.172 -1.130 11.138 1.00 41.23 H new ATOM 0 HG2 LYS D 325 15.742 -2.419 10.156 1.00 71.42 H new ATOM 0 HG3 LYS D 325 14.920 -1.107 9.335 1.00 71.42 H new ATOM 0 HD2 LYS D 325 15.856 -0.994 12.236 1.00 62.20 H new ATOM 0 HD3 LYS D 325 16.774 -0.358 10.885 1.00 62.20 H new ATOM 0 HE2 LYS D 325 14.958 1.244 10.363 1.00 60.35 H new ATOM 0 HE3 LYS D 325 13.963 0.568 11.637 1.00 60.35 H new ATOM 0 HZ1 LYS D 325 15.031 1.726 13.184 1.00 45.23 H new ATOM 0 HZ2 LYS D 325 16.567 1.380 12.549 1.00 45.23 H new ATOM 0 HZ3 LYS D 325 15.650 2.656 11.905 1.00 45.23 H new ATOM 3225 N GLU D 326 13.093 -1.485 13.948 1.00 70.44 N ATOM 3226 CA GLU D 326 12.137 -0.875 14.822 1.00 13.14 C ATOM 3227 C GLU D 326 12.172 0.613 14.591 1.00 23.32 C ATOM 3228 O GLU D 326 13.264 1.209 14.541 1.00 64.21 O ATOM 3229 CB GLU D 326 12.419 -1.172 16.292 1.00 30.03 C ATOM 3230 CG GLU D 326 12.255 -2.618 16.692 1.00 30.30 C ATOM 3231 CD GLU D 326 12.392 -2.796 18.174 1.00 72.12 C ATOM 3232 OE1 GLU D 326 11.440 -2.435 18.914 1.00 12.21 O ATOM 3233 OE2 GLU D 326 13.420 -3.301 18.630 1.00 53.32 O ATOM 0 H GLU D 326 14.026 -1.077 14.010 1.00 70.44 H new ATOM 0 HA GLU D 326 11.153 -1.287 14.598 1.00 13.14 H new ATOM 0 HB2 GLU D 326 13.438 -0.860 16.521 1.00 30.03 H new ATOM 0 HB3 GLU D 326 11.754 -0.563 16.904 1.00 30.03 H new ATOM 0 HG2 GLU D 326 11.278 -2.977 16.370 1.00 30.30 H new ATOM 0 HG3 GLU D 326 13.002 -3.225 16.181 1.00 30.30 H new ATOM 3240 N PRO D 327 11.021 1.243 14.428 1.00 63.13 N ATOM 3241 CA PRO D 327 10.952 2.645 14.179 1.00 75.24 C ATOM 3242 C PRO D 327 10.909 3.449 15.471 1.00 4.21 C ATOM 3243 O PRO D 327 10.468 2.964 16.530 1.00 64.24 O ATOM 3244 CB PRO D 327 9.643 2.796 13.401 1.00 32.21 C ATOM 3245 CG PRO D 327 8.769 1.710 13.928 1.00 10.33 C ATOM 3246 CD PRO D 327 9.681 0.634 14.481 1.00 34.34 C ATOM 0 HA PRO D 327 11.824 3.017 13.641 1.00 75.24 H new ATOM 0 HB2 PRO D 327 9.197 3.778 13.561 1.00 32.21 H new ATOM 0 HB3 PRO D 327 9.804 2.690 12.328 1.00 32.21 H new ATOM 0 HG2 PRO D 327 8.107 2.091 14.706 1.00 10.33 H new ATOM 0 HG3 PRO D 327 8.134 1.309 13.138 1.00 10.33 H new ATOM 0 HD2 PRO D 327 9.406 0.362 15.500 1.00 34.34 H new ATOM 0 HD3 PRO D 327 9.632 -0.277 13.884 1.00 34.34 H new