USER MOD reduce.3.24.130724 H: found=0, std=0, add=1059, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 1067 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 61 TYR OH : rot 166:sc= -0.204 USER MOD Set 1.2: C 230 ASN : amide:sc= -0.488 K(o=-0.69,f=-1.9) USER MOD Single : A 16 SER OG : rot -100:sc= 1.04 USER MOD Single : A 17 HIS : no HD1:sc= -0.217 X(o=-0.22,f=-0.0015) USER MOD Single : A 22 ASN : amide:sc= -1.45 K(o=-1.4,f=-2.3) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 HIS : no HD1:sc= -1.61 X(o=-1.6,f=-1.2) 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) USER MOD Single : A 31 THR OG1 : rot -120:sc= 0.0931 USER MOD Single : A 33 ASN :FLIP amide:sc= -0.0286 F(o=-1.1,f=-0.029) USER MOD Single : A 37 GLN :FLIP amide:sc= -2.7! C(o=-4.1!,f=-2.7!) USER MOD Single : A 43 LYS NZ :NH3+ -155:sc=-0.00602 (180deg=-0.128) USER MOD Single : A 48 GLN : amide:sc=-0.000776 K(o=-0.00078,f=-0.82) USER MOD Single : A 54 LYS NZ :NH3+ -178:sc= 1.28 (180deg=1.23) USER MOD Single : A 56 LYS NZ :NH3+ -175:sc= 0.686 (180deg=0.568) USER MOD Single : A 59 GLN : amide:sc= 0.458 K(o=0.46,f=-1.1) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=-0.04) USER MOD Single : B 123 SER OG : rot 46:sc= 0.992 USER MOD Single : B 124 MET CE :methyl 161:sc= -0.17 (180deg=-0.694) USER MOD Single : B 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 216 SER OG : rot -110:sc= 0 USER MOD Single : C 217 HIS : no HE2:sc= -0.233 K(o=-0.23,f=-0.88) USER MOD Single : C 222 ASN : amide:sc= -0.609 X(o=-0.61,f=-0.63) USER MOD Single : C 224 LYS NZ :NH3+ -176:sc= 1.19 (180deg=1.14) USER MOD Single : C 225 HIS :FLIP no HD1:sc= -0.751 F(o=-1.5,f=-0.75) USER MOD Single : C 227 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 231 THR OG1 : rot 128:sc= 0.288 USER MOD Single : C 233 ASN : amide:sc= -0.349 X(o=-0.35,f=-0.077) USER MOD Single : C 237 GLN : amide:sc= -1.69! C(o=-1.7!,f=-5.5!) USER MOD Single : C 243 LYS NZ :NH3+ -109:sc= -0.876 (180deg=-2.82!) USER MOD Single : C 248 GLN : amide:sc= 0.841 K(o=0.84,f=-4.9!) USER MOD Single : C 254 LYS NZ :NH3+ -178:sc= 1.24 (180deg=1.11) USER MOD Single : C 256 LYS NZ :NH3+ -170:sc= 0.523 (180deg=0.373) USER MOD Single : C 259 GLN : amide:sc= -2.84! C(o=-2.8!,f=-3.5!) USER MOD Single : C 261 TYR OH : rot -120:sc= -0.841 USER MOD Single : C 264 LYS NZ :NH3+ 165:sc= 0.915 (180deg=0.756) USER MOD Single : C 267 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : D 323 SER OG : rot 56:sc= 1.27 USER MOD Single : D 324 MET CE :methyl 160:sc= -0.172 (180deg=-0.703) USER MOD Single : D 325 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 115 N ARG A 8 1.688 10.061 -14.956 1.00 45.20 N ATOM 116 CA ARG A 8 0.478 9.301 -15.130 1.00 54.02 C ATOM 117 C ARG A 8 -0.046 8.904 -13.776 1.00 74.31 C ATOM 118 O ARG A 8 0.680 8.975 -12.778 1.00 20.32 O ATOM 119 CB ARG A 8 0.710 8.039 -15.959 1.00 30.44 C ATOM 120 CG ARG A 8 1.219 8.261 -17.374 1.00 72.13 C ATOM 121 CD ARG A 8 1.355 6.929 -18.086 1.00 5.01 C ATOM 122 NE ARG A 8 2.253 6.030 -17.357 1.00 65.05 N ATOM 123 CZ ARG A 8 1.930 4.799 -16.936 1.00 41.22 C ATOM 124 NH1 ARG A 8 0.714 4.294 -17.160 1.00 23.45 N ATOM 125 NH2 ARG A 8 2.823 4.086 -16.266 1.00 53.23 N ATOM 0 HA ARG A 8 -0.239 9.926 -15.662 1.00 54.02 H new ATOM 0 HB2 ARG A 8 1.424 7.407 -15.431 1.00 30.44 H new ATOM 0 HB3 ARG A 8 -0.227 7.485 -16.013 1.00 30.44 H new ATOM 0 HG2 ARG A 8 0.532 8.907 -17.920 1.00 72.13 H new ATOM 0 HG3 ARG A 8 2.183 8.770 -17.348 1.00 72.13 H new ATOM 0 HD2 ARG A 8 0.374 6.465 -18.186 1.00 5.01 H new ATOM 0 HD3 ARG A 8 1.736 7.090 -19.094 1.00 5.01 H new ATOM 0 HE ARG A 8 3.195 6.366 -17.155 1.00 65.05 H new ATOM 0 HH11 ARG A 8 0.016 4.847 -17.658 1.00 23.45 H new ATOM 0 HH12 ARG A 8 0.483 3.356 -16.833 1.00 23.45 H new ATOM 0 HH21 ARG A 8 3.746 4.475 -16.075 1.00 53.23 H new ATOM 0 HH22 ARG A 8 2.587 3.148 -15.941 1.00 53.23 H new ATOM 139 N CYS A 9 -1.279 8.537 -13.731 1.00 53.11 N ATOM 140 CA CYS A 9 -1.899 8.080 -12.524 1.00 35.04 C ATOM 141 C CYS A 9 -2.609 6.774 -12.856 1.00 63.10 C ATOM 142 O CYS A 9 -3.226 6.681 -13.922 1.00 45.01 O ATOM 143 CB CYS A 9 -2.891 9.134 -12.035 1.00 71.44 C ATOM 144 SG CYS A 9 -3.645 8.838 -10.420 1.00 24.43 S ATOM 0 H CYS A 9 -1.899 8.544 -14.541 1.00 53.11 H new ATOM 0 HA CYS A 9 -1.169 7.918 -11.731 1.00 35.04 H new ATOM 0 HB2 CYS A 9 -2.379 10.096 -12.002 1.00 71.44 H new ATOM 0 HB3 CYS A 9 -3.688 9.222 -12.773 1.00 71.44 H new ATOM 149 N PRO A 10 -2.475 5.740 -11.987 1.00 44.34 N ATOM 150 CA PRO A 10 -3.090 4.415 -12.185 1.00 61.10 C ATOM 151 C PRO A 10 -4.537 4.486 -12.682 1.00 51.51 C ATOM 152 O PRO A 10 -4.854 3.995 -13.773 1.00 5.23 O ATOM 153 CB PRO A 10 -3.030 3.803 -10.790 1.00 64.15 C ATOM 154 CG PRO A 10 -1.813 4.395 -10.182 1.00 71.01 C ATOM 155 CD PRO A 10 -1.676 5.777 -10.753 1.00 2.20 C ATOM 0 HA PRO A 10 -2.573 3.839 -12.953 1.00 61.10 H new ATOM 0 HB2 PRO A 10 -3.921 4.044 -10.211 1.00 64.15 H new ATOM 0 HB3 PRO A 10 -2.964 2.716 -10.835 1.00 64.15 H new ATOM 0 HG2 PRO A 10 -1.901 4.432 -9.096 1.00 71.01 H new ATOM 0 HG3 PRO A 10 -0.934 3.793 -10.410 1.00 71.01 H new ATOM 0 HD2 PRO A 10 -2.048 6.532 -10.061 1.00 2.20 H new ATOM 0 HD3 PRO A 10 -0.634 6.020 -10.961 1.00 2.20 H new ATOM 163 N CYS A 11 -5.394 5.082 -11.894 1.00 73.30 N ATOM 164 CA CYS A 11 -6.769 5.257 -12.268 1.00 51.31 C ATOM 165 C CYS A 11 -7.026 6.647 -12.804 1.00 32.22 C ATOM 166 O CYS A 11 -6.250 7.582 -12.564 1.00 72.04 O ATOM 167 CB CYS A 11 -7.711 4.925 -11.115 1.00 74.21 C ATOM 168 SG CYS A 11 -7.768 3.153 -10.697 1.00 34.35 S ATOM 0 H CYS A 11 -5.156 5.459 -10.976 1.00 73.30 H new ATOM 0 HA CYS A 11 -6.976 4.552 -13.073 1.00 51.31 H new ATOM 0 HB2 CYS A 11 -7.403 5.487 -10.233 1.00 74.21 H new ATOM 0 HB3 CYS A 11 -8.716 5.261 -11.371 1.00 74.21 H new ATOM 173 N ARG A 12 -8.112 6.779 -13.538 1.00 14.05 N ATOM 174 CA ARG A 12 -8.504 8.043 -14.099 1.00 53.12 C ATOM 175 C ARG A 12 -9.143 8.861 -13.001 1.00 14.00 C ATOM 176 O ARG A 12 -8.855 10.041 -12.834 1.00 42.44 O ATOM 177 CB ARG A 12 -9.485 7.793 -15.221 1.00 31.31 C ATOM 178 CG ARG A 12 -9.853 9.005 -16.041 1.00 44.11 C ATOM 179 CD ARG A 12 -10.744 8.582 -17.178 1.00 45.40 C ATOM 180 NE ARG A 12 -10.116 7.515 -17.971 1.00 23.51 N ATOM 181 CZ ARG A 12 -10.779 6.608 -18.701 1.00 22.14 C ATOM 182 NH1 ARG A 12 -12.112 6.653 -18.798 1.00 4.43 N ATOM 183 NH2 ARG A 12 -10.102 5.657 -19.321 1.00 41.25 N ATOM 0 H ARG A 12 -8.744 6.009 -13.759 1.00 14.05 H new ATOM 0 HA ARG A 12 -7.647 8.583 -14.501 1.00 53.12 H new ATOM 0 HB2 ARG A 12 -9.065 7.039 -15.887 1.00 31.31 H new ATOM 0 HB3 ARG A 12 -10.397 7.372 -14.797 1.00 31.31 H new ATOM 0 HG2 ARG A 12 -10.363 9.739 -15.418 1.00 44.11 H new ATOM 0 HG3 ARG A 12 -8.953 9.484 -16.427 1.00 44.11 H new ATOM 0 HD2 ARG A 12 -11.700 8.234 -16.786 1.00 45.40 H new ATOM 0 HD3 ARG A 12 -10.955 9.439 -17.818 1.00 45.40 H new ATOM 0 HE ARG A 12 -9.097 7.461 -17.965 1.00 23.51 H new ATOM 0 HH11 ARG A 12 -12.634 7.383 -18.313 1.00 4.43 H new ATOM 0 HH12 ARG A 12 -12.606 5.957 -19.357 1.00 4.43 H new ATOM 0 HH21 ARG A 12 -9.086 5.619 -19.241 1.00 41.25 H new ATOM 0 HH22 ARG A 12 -10.596 4.961 -19.880 1.00 41.25 H new ATOM 197 N PHE A 13 -9.996 8.205 -12.250 1.00 30.20 N ATOM 198 CA PHE A 13 -10.627 8.759 -11.087 1.00 2.34 C ATOM 199 C PHE A 13 -10.537 7.701 -10.012 1.00 15.32 C ATOM 200 O PHE A 13 -10.335 6.530 -10.333 1.00 10.31 O ATOM 201 CB PHE A 13 -12.093 9.124 -11.347 1.00 5.52 C ATOM 202 CG PHE A 13 -12.317 10.116 -12.449 1.00 34.14 C ATOM 203 CD1 PHE A 13 -12.105 11.462 -12.239 1.00 71.13 C ATOM 204 CD2 PHE A 13 -12.753 9.696 -13.695 1.00 11.23 C ATOM 205 CE1 PHE A 13 -12.319 12.374 -13.249 1.00 0.44 C ATOM 206 CE2 PHE A 13 -12.967 10.605 -14.708 1.00 23.14 C ATOM 207 CZ PHE A 13 -12.750 11.946 -14.485 1.00 43.24 C ATOM 0 H PHE A 13 -10.275 7.243 -12.442 1.00 30.20 H new ATOM 0 HA PHE A 13 -10.129 9.683 -10.794 1.00 2.34 H new ATOM 0 HB2 PHE A 13 -12.642 8.212 -11.583 1.00 5.52 H new ATOM 0 HB3 PHE A 13 -12.520 9.524 -10.427 1.00 5.52 H new ATOM 0 HD1 PHE A 13 -11.767 11.805 -11.272 1.00 71.13 H new ATOM 0 HD2 PHE A 13 -12.927 8.645 -13.874 1.00 11.23 H new ATOM 0 HE1 PHE A 13 -12.149 13.426 -13.071 1.00 0.44 H new ATOM 0 HE2 PHE A 13 -13.305 10.266 -15.676 1.00 23.14 H new ATOM 0 HZ PHE A 13 -12.917 12.661 -15.277 1.00 43.24 H new ATOM 217 N PHE A 14 -10.682 8.086 -8.787 1.00 34.53 N ATOM 218 CA PHE A 14 -10.507 7.175 -7.678 1.00 65.40 C ATOM 219 C PHE A 14 -11.705 7.175 -6.748 1.00 72.32 C ATOM 220 O PHE A 14 -12.396 8.170 -6.634 1.00 12.41 O ATOM 221 CB PHE A 14 -9.206 7.525 -6.922 1.00 1.31 C ATOM 222 CG PHE A 14 -9.083 8.987 -6.552 1.00 34.42 C ATOM 223 CD1 PHE A 14 -9.624 9.478 -5.378 1.00 63.33 C ATOM 224 CD2 PHE A 14 -8.424 9.870 -7.401 1.00 22.33 C ATOM 225 CE1 PHE A 14 -9.512 10.817 -5.058 1.00 20.52 C ATOM 226 CE2 PHE A 14 -8.309 11.206 -7.083 1.00 14.32 C ATOM 227 CZ PHE A 14 -8.857 11.679 -5.911 1.00 22.01 C ATOM 0 H PHE A 14 -10.925 9.039 -8.515 1.00 34.53 H new ATOM 0 HA PHE A 14 -10.426 6.163 -8.074 1.00 65.40 H new ATOM 0 HB2 PHE A 14 -9.154 6.925 -6.013 1.00 1.31 H new ATOM 0 HB3 PHE A 14 -8.353 7.244 -7.539 1.00 1.31 H new ATOM 0 HD1 PHE A 14 -10.139 8.808 -4.705 1.00 63.33 H new ATOM 0 HD2 PHE A 14 -7.996 9.503 -8.322 1.00 22.33 H new ATOM 0 HE1 PHE A 14 -9.938 11.189 -4.138 1.00 20.52 H new ATOM 0 HE2 PHE A 14 -7.791 11.879 -7.750 1.00 14.32 H new ATOM 0 HZ PHE A 14 -8.773 12.726 -5.660 1.00 22.01 H new ATOM 237 N GLU A 15 -11.939 6.051 -6.127 1.00 73.32 N ATOM 238 CA GLU A 15 -12.967 5.838 -5.157 1.00 2.43 C ATOM 239 C GLU A 15 -12.571 6.465 -3.830 1.00 22.04 C ATOM 240 O GLU A 15 -11.533 6.131 -3.248 1.00 51.12 O ATOM 241 CB GLU A 15 -13.164 4.330 -4.941 1.00 44.22 C ATOM 242 CG GLU A 15 -13.892 3.563 -6.046 1.00 23.33 C ATOM 243 CD GLU A 15 -13.343 3.743 -7.464 1.00 72.02 C ATOM 244 OE1 GLU A 15 -12.134 3.518 -7.703 1.00 52.13 O ATOM 245 OE2 GLU A 15 -14.133 4.102 -8.362 1.00 42.12 O ATOM 0 H GLU A 15 -11.382 5.214 -6.298 1.00 73.32 H new ATOM 0 HA GLU A 15 -13.889 6.293 -5.520 1.00 2.43 H new ATOM 0 HB2 GLU A 15 -12.183 3.876 -4.802 1.00 44.22 H new ATOM 0 HB3 GLU A 15 -13.715 4.189 -4.011 1.00 44.22 H new ATOM 0 HG2 GLU A 15 -13.867 2.501 -5.801 1.00 23.33 H new ATOM 0 HG3 GLU A 15 -14.939 3.867 -6.042 1.00 23.33 H new ATOM 252 N SER A 16 -13.387 7.350 -3.349 1.00 52.44 N ATOM 253 CA SER A 16 -13.133 7.987 -2.084 1.00 63.03 C ATOM 254 C SER A 16 -13.988 7.358 -0.984 1.00 52.45 C ATOM 255 O SER A 16 -14.096 7.874 0.126 1.00 10.20 O ATOM 256 CB SER A 16 -13.359 9.468 -2.196 1.00 45.50 C ATOM 257 OG SER A 16 -12.494 10.041 -3.165 1.00 14.40 O ATOM 0 H SER A 16 -14.243 7.653 -3.814 1.00 52.44 H new ATOM 0 HA SER A 16 -12.090 7.832 -1.808 1.00 63.03 H new ATOM 0 HB2 SER A 16 -14.396 9.662 -2.469 1.00 45.50 H new ATOM 0 HB3 SER A 16 -13.190 9.940 -1.228 1.00 45.50 H new ATOM 0 HG SER A 16 -11.729 10.457 -2.715 1.00 14.40 H new ATOM 263 N HIS A 17 -14.589 6.250 -1.333 1.00 61.20 N ATOM 264 CA HIS A 17 -15.337 5.365 -0.455 1.00 55.21 C ATOM 265 C HIS A 17 -15.296 4.012 -1.091 1.00 74.32 C ATOM 266 O HIS A 17 -15.008 3.930 -2.270 1.00 51.11 O ATOM 267 CB HIS A 17 -16.818 5.778 -0.234 1.00 41.40 C ATOM 268 CG HIS A 17 -17.055 6.940 0.692 1.00 20.41 C ATOM 269 ND1 HIS A 17 -17.328 6.786 2.031 1.00 21.13 N ATOM 270 CD2 HIS A 17 -17.109 8.268 0.464 1.00 42.43 C ATOM 271 CE1 HIS A 17 -17.542 7.957 2.579 1.00 0.32 C ATOM 272 NE2 HIS A 17 -17.418 8.881 1.653 1.00 12.21 N ATOM 0 H HIS A 17 -14.573 5.914 -2.296 1.00 61.20 H new ATOM 0 HA HIS A 17 -14.878 5.398 0.533 1.00 55.21 H new ATOM 0 HB2 HIS A 17 -17.254 6.019 -1.203 1.00 41.40 H new ATOM 0 HB3 HIS A 17 -17.360 4.915 0.154 1.00 41.40 H new ATOM 0 HD2 HIS A 17 -16.940 8.760 -0.482 1.00 42.43 H new ATOM 0 HE1 HIS A 17 -17.780 8.133 3.618 1.00 0.32 H new ATOM 0 HE2 HIS A 17 -17.532 9.885 1.794 1.00 12.21 H new ATOM 281 N VAL A 18 -15.536 2.978 -0.315 1.00 2.23 N ATOM 282 CA VAL A 18 -15.588 1.588 -0.771 1.00 1.11 C ATOM 283 C VAL A 18 -15.511 0.730 0.501 1.00 63.42 C ATOM 284 O VAL A 18 -15.274 1.282 1.584 1.00 22.42 O ATOM 285 CB VAL A 18 -14.416 1.244 -1.780 1.00 71.43 C ATOM 286 CG1 VAL A 18 -13.044 1.249 -1.153 1.00 32.42 C ATOM 287 CG2 VAL A 18 -14.679 -0.003 -2.606 1.00 42.23 C ATOM 0 H VAL A 18 -15.707 3.075 0.686 1.00 2.23 H new ATOM 0 HA VAL A 18 -16.504 1.395 -1.329 1.00 1.11 H new ATOM 0 HB VAL A 18 -14.411 2.076 -2.484 1.00 71.43 H new ATOM 0 HG11 VAL A 18 -12.298 1.004 -1.909 1.00 32.42 H new ATOM 0 HG12 VAL A 18 -12.835 2.237 -0.743 1.00 32.42 H new ATOM 0 HG13 VAL A 18 -13.007 0.509 -0.353 1.00 32.42 H new ATOM 0 HG21 VAL A 18 -13.837 -0.180 -3.275 1.00 42.23 H new ATOM 0 HG22 VAL A 18 -14.802 -0.859 -1.943 1.00 42.23 H new ATOM 0 HG23 VAL A 18 -15.587 0.134 -3.193 1.00 42.23 H new ATOM 297 N ALA A 19 -15.707 -0.564 0.418 1.00 51.01 N ATOM 298 CA ALA A 19 -15.694 -1.358 1.615 1.00 52.31 C ATOM 299 C ALA A 19 -14.375 -2.063 1.728 1.00 31.23 C ATOM 300 O ALA A 19 -13.952 -2.728 0.790 1.00 31.11 O ATOM 301 CB ALA A 19 -16.846 -2.347 1.615 1.00 54.41 C ATOM 0 H ALA A 19 -15.874 -1.078 -0.447 1.00 51.01 H new ATOM 0 HA ALA A 19 -15.822 -0.708 2.481 1.00 52.31 H new ATOM 0 HB1 ALA A 19 -16.818 -2.938 2.530 1.00 54.41 H new ATOM 0 HB2 ALA A 19 -17.790 -1.805 1.562 1.00 54.41 H new ATOM 0 HB3 ALA A 19 -16.758 -3.008 0.753 1.00 54.41 H new ATOM 307 N ARG A 20 -13.702 -1.918 2.853 1.00 40.12 N ATOM 308 CA ARG A 20 -12.409 -2.555 3.008 1.00 33.23 C ATOM 309 C ARG A 20 -12.472 -4.078 3.114 1.00 34.42 C ATOM 310 O ARG A 20 -11.484 -4.751 2.951 1.00 51.53 O ATOM 311 CB ARG A 20 -11.474 -1.857 4.027 1.00 20.04 C ATOM 312 CG ARG A 20 -11.893 -1.777 5.497 1.00 75.45 C ATOM 313 CD ARG A 20 -11.746 -3.102 6.207 1.00 51.44 C ATOM 314 NE ARG A 20 -11.907 -2.955 7.672 1.00 13.01 N ATOM 315 CZ ARG A 20 -11.347 -3.761 8.602 1.00 45.32 C ATOM 316 NH1 ARG A 20 -10.717 -4.883 8.236 1.00 13.20 N ATOM 317 NH2 ARG A 20 -11.443 -3.452 9.894 1.00 52.20 N ATOM 0 H ARG A 20 -14.020 -1.377 3.657 1.00 40.12 H new ATOM 0 HA ARG A 20 -11.903 -2.391 2.056 1.00 33.23 H new ATOM 0 HB2 ARG A 20 -10.510 -2.365 3.988 1.00 20.04 H new ATOM 0 HB3 ARG A 20 -11.311 -0.838 3.677 1.00 20.04 H new ATOM 0 HG2 ARG A 20 -11.288 -1.026 6.005 1.00 75.45 H new ATOM 0 HG3 ARG A 20 -12.930 -1.447 5.560 1.00 75.45 H new ATOM 0 HD2 ARG A 20 -12.489 -3.804 5.827 1.00 51.44 H new ATOM 0 HD3 ARG A 20 -10.766 -3.526 5.989 1.00 51.44 H new ATOM 0 HE ARG A 20 -12.486 -2.185 8.006 1.00 13.01 H new ATOM 0 HH11 ARG A 20 -10.657 -5.135 7.250 1.00 13.20 H new ATOM 0 HH12 ARG A 20 -10.297 -5.486 8.943 1.00 13.20 H new ATOM 0 HH21 ARG A 20 -11.939 -2.608 10.181 1.00 52.20 H new ATOM 0 HH22 ARG A 20 -11.021 -4.059 10.596 1.00 52.20 H new ATOM 331 N ALA A 21 -13.648 -4.602 3.398 1.00 22.24 N ATOM 332 CA ALA A 21 -13.870 -6.046 3.384 1.00 1.32 C ATOM 333 C ALA A 21 -14.123 -6.513 1.945 1.00 62.33 C ATOM 334 O ALA A 21 -14.144 -7.706 1.644 1.00 70.24 O ATOM 335 CB ALA A 21 -15.047 -6.417 4.280 1.00 72.33 C ATOM 0 H ALA A 21 -14.471 -4.052 3.643 1.00 22.24 H new ATOM 0 HA ALA A 21 -12.981 -6.545 3.770 1.00 1.32 H new ATOM 0 HB1 ALA A 21 -15.196 -7.496 4.256 1.00 72.33 H new ATOM 0 HB2 ALA A 21 -14.839 -6.102 5.303 1.00 72.33 H new ATOM 0 HB3 ALA A 21 -15.948 -5.918 3.923 1.00 72.33 H new ATOM 341 N ASN A 22 -14.320 -5.543 1.066 1.00 10.20 N ATOM 342 CA ASN A 22 -14.611 -5.787 -0.336 1.00 10.30 C ATOM 343 C ASN A 22 -13.323 -5.708 -1.167 1.00 73.51 C ATOM 344 O ASN A 22 -13.297 -6.117 -2.321 1.00 14.34 O ATOM 345 CB ASN A 22 -15.668 -4.762 -0.829 1.00 2.20 C ATOM 346 CG ASN A 22 -16.102 -4.892 -2.296 1.00 21.10 C ATOM 347 OD1 ASN A 22 -16.451 -3.896 -2.936 1.00 35.24 O ATOM 348 ND2 ASN A 22 -16.145 -6.083 -2.816 1.00 31.43 N ATOM 0 H ASN A 22 -14.282 -4.553 1.310 1.00 10.20 H new ATOM 0 HA ASN A 22 -15.020 -6.790 -0.457 1.00 10.30 H new ATOM 0 HB2 ASN A 22 -16.553 -4.853 -0.200 1.00 2.20 H new ATOM 0 HB3 ASN A 22 -15.270 -3.759 -0.676 1.00 2.20 H new ATOM 0 HD21 ASN A 22 -16.473 -6.210 -3.774 1.00 31.43 H new ATOM 0 HD22 ASN A 22 -15.851 -6.890 -2.266 1.00 31.43 H new ATOM 355 N VAL A 23 -12.256 -5.195 -0.581 1.00 31.43 N ATOM 356 CA VAL A 23 -10.982 -5.131 -1.292 1.00 64.23 C ATOM 357 C VAL A 23 -10.070 -6.317 -0.902 1.00 4.54 C ATOM 358 O VAL A 23 -10.031 -6.715 0.251 1.00 42.00 O ATOM 359 CB VAL A 23 -10.236 -3.782 -1.067 1.00 2.55 C ATOM 360 CG1 VAL A 23 -11.076 -2.607 -1.548 1.00 73.03 C ATOM 361 CG2 VAL A 23 -9.849 -3.584 0.385 1.00 32.34 C ATOM 0 H VAL A 23 -12.240 -4.822 0.368 1.00 31.43 H new ATOM 0 HA VAL A 23 -11.218 -5.197 -2.354 1.00 64.23 H new ATOM 0 HB VAL A 23 -9.319 -3.825 -1.655 1.00 2.55 H new ATOM 0 HG11 VAL A 23 -10.532 -1.678 -1.379 1.00 73.03 H new ATOM 0 HG12 VAL A 23 -11.282 -2.719 -2.612 1.00 73.03 H new ATOM 0 HG13 VAL A 23 -12.016 -2.582 -0.997 1.00 73.03 H new ATOM 0 HG21 VAL A 23 -9.331 -2.631 0.497 1.00 32.34 H new ATOM 0 HG22 VAL A 23 -10.746 -3.584 1.004 1.00 32.34 H new ATOM 0 HG23 VAL A 23 -9.191 -4.394 0.700 1.00 32.34 H new ATOM 371 N LYS A 24 -9.378 -6.895 -1.887 1.00 71.22 N ATOM 372 CA LYS A 24 -8.457 -8.030 -1.638 1.00 33.12 C ATOM 373 C LYS A 24 -7.135 -7.598 -1.066 1.00 15.34 C ATOM 374 O LYS A 24 -6.474 -8.360 -0.359 1.00 72.41 O ATOM 375 CB LYS A 24 -8.231 -8.848 -2.901 1.00 54.23 C ATOM 376 CG LYS A 24 -9.470 -9.530 -3.330 1.00 13.32 C ATOM 377 CD LYS A 24 -9.322 -10.391 -4.582 1.00 10.00 C ATOM 378 CE LYS A 24 -9.069 -9.567 -5.827 1.00 41.42 C ATOM 379 NZ LYS A 24 -9.032 -10.413 -7.040 1.00 20.32 N ATOM 0 H LYS A 24 -9.431 -6.605 -2.863 1.00 71.22 H new ATOM 0 HA LYS A 24 -8.949 -8.653 -0.891 1.00 33.12 H new ATOM 0 HB2 LYS A 24 -7.877 -8.196 -3.700 1.00 54.23 H new ATOM 0 HB3 LYS A 24 -7.450 -9.587 -2.723 1.00 54.23 H new ATOM 0 HG2 LYS A 24 -9.825 -10.158 -2.513 1.00 13.32 H new ATOM 0 HG3 LYS A 24 -10.239 -8.779 -3.511 1.00 13.32 H new ATOM 0 HD2 LYS A 24 -8.500 -11.092 -4.441 1.00 10.00 H new ATOM 0 HD3 LYS A 24 -10.226 -10.984 -4.720 1.00 10.00 H new ATOM 0 HE2 LYS A 24 -9.850 -8.814 -5.931 1.00 41.42 H new ATOM 0 HE3 LYS A 24 -8.124 -9.034 -5.725 1.00 41.42 H new ATOM 0 HZ1 LYS A 24 -8.857 -9.817 -7.874 1.00 20.32 H new ATOM 0 HZ2 LYS A 24 -8.270 -11.115 -6.950 1.00 20.32 H new ATOM 0 HZ3 LYS A 24 -9.943 -10.903 -7.150 1.00 20.32 H new ATOM 393 N HIS A 25 -6.738 -6.409 -1.393 1.00 22.33 N ATOM 394 CA HIS A 25 -5.486 -5.852 -0.880 1.00 52.31 C ATOM 395 C HIS A 25 -5.444 -4.372 -1.137 1.00 51.22 C ATOM 396 O HIS A 25 -6.286 -3.848 -1.862 1.00 23.11 O ATOM 397 CB HIS A 25 -4.223 -6.526 -1.503 1.00 12.44 C ATOM 398 CG HIS A 25 -3.982 -6.250 -2.970 1.00 22.00 C ATOM 399 ND1 HIS A 25 -3.957 -7.226 -3.923 1.00 64.04 N ATOM 400 CD2 HIS A 25 -3.691 -5.092 -3.630 1.00 51.23 C ATOM 401 CE1 HIS A 25 -3.666 -6.697 -5.085 1.00 25.51 C ATOM 402 NE2 HIS A 25 -3.505 -5.411 -4.935 1.00 11.45 N ATOM 0 H HIS A 25 -7.253 -5.787 -2.016 1.00 22.33 H new ATOM 0 HA HIS A 25 -5.464 -6.053 0.191 1.00 52.31 H new ATOM 0 HB2 HIS A 25 -3.347 -6.199 -0.943 1.00 12.44 H new ATOM 0 HB3 HIS A 25 -4.305 -7.604 -1.365 1.00 12.44 H new ATOM 0 HD2 HIS A 25 -3.622 -4.106 -3.195 1.00 51.23 H new ATOM 0 HE1 HIS A 25 -3.574 -7.237 -6.016 1.00 25.51 H new ATOM 0 HE2 HIS A 25 -3.276 -4.752 -5.679 1.00 11.45 H new ATOM 411 N LEU A 26 -4.434 -3.729 -0.615 1.00 12.20 N ATOM 412 CA LEU A 26 -4.261 -2.315 -0.764 1.00 62.12 C ATOM 413 C LEU A 26 -2.911 -2.099 -1.471 1.00 11.40 C ATOM 414 O LEU A 26 -1.932 -2.683 -1.080 1.00 23.21 O ATOM 415 CB LEU A 26 -4.215 -1.703 0.644 1.00 14.44 C ATOM 416 CG LEU A 26 -4.440 -0.212 0.750 1.00 73.34 C ATOM 417 CD1 LEU A 26 -5.862 0.102 0.346 1.00 44.13 C ATOM 418 CD2 LEU A 26 -4.167 0.278 2.164 1.00 54.42 C ATOM 0 H LEU A 26 -3.701 -4.181 -0.068 1.00 12.20 H new ATOM 0 HA LEU A 26 -5.066 -1.856 -1.339 1.00 62.12 H new ATOM 0 HB2 LEU A 26 -4.965 -2.204 1.256 1.00 14.44 H new ATOM 0 HB3 LEU A 26 -3.243 -1.931 1.081 1.00 14.44 H new ATOM 0 HG LEU A 26 -3.749 0.303 0.082 1.00 73.34 H new ATOM 0 HD11 LEU A 26 -6.032 1.176 0.420 1.00 44.13 H new ATOM 0 HD12 LEU A 26 -6.028 -0.222 -0.681 1.00 44.13 H new ATOM 0 HD13 LEU A 26 -6.552 -0.421 1.008 1.00 44.13 H new ATOM 0 HD21 LEU A 26 -4.336 1.354 2.215 1.00 54.42 H new ATOM 0 HD22 LEU A 26 -4.836 -0.228 2.860 1.00 54.42 H new ATOM 0 HD23 LEU A 26 -3.133 0.060 2.431 1.00 54.42 H new ATOM 430 N LYS A 27 -2.860 -1.320 -2.520 1.00 65.24 N ATOM 431 CA LYS A 27 -1.586 -1.078 -3.207 1.00 33.23 C ATOM 432 C LYS A 27 -1.347 0.415 -3.382 1.00 4.41 C ATOM 433 O LYS A 27 -2.087 1.070 -4.048 1.00 31.20 O ATOM 434 CB LYS A 27 -1.549 -1.826 -4.559 1.00 14.30 C ATOM 435 CG LYS A 27 -0.268 -1.619 -5.357 1.00 20.12 C ATOM 436 CD LYS A 27 -0.221 -2.454 -6.643 1.00 62.45 C ATOM 437 CE LYS A 27 -1.405 -2.199 -7.553 1.00 3.01 C ATOM 438 NZ LYS A 27 -1.285 -2.918 -8.836 1.00 4.45 N ATOM 0 H LYS A 27 -3.665 -0.841 -2.925 1.00 65.24 H new ATOM 0 HA LYS A 27 -0.776 -1.469 -2.592 1.00 33.23 H new ATOM 0 HB2 LYS A 27 -1.679 -2.892 -4.374 1.00 14.30 H new ATOM 0 HB3 LYS A 27 -2.396 -1.501 -5.164 1.00 14.30 H new ATOM 0 HG2 LYS A 27 -0.172 -0.564 -5.612 1.00 20.12 H new ATOM 0 HG3 LYS A 27 0.588 -1.875 -4.733 1.00 20.12 H new ATOM 0 HD2 LYS A 27 0.700 -2.231 -7.182 1.00 62.45 H new ATOM 0 HD3 LYS A 27 -0.190 -3.512 -6.383 1.00 62.45 H new ATOM 0 HE2 LYS A 27 -2.321 -2.507 -7.050 1.00 3.01 H new ATOM 0 HE3 LYS A 27 -1.491 -1.129 -7.744 1.00 3.01 H new ATOM 0 HZ1 LYS A 27 -2.116 -2.715 -9.427 1.00 4.45 H new ATOM 0 HZ2 LYS A 27 -0.425 -2.606 -9.330 1.00 4.45 H new ATOM 0 HZ3 LYS A 27 -1.229 -3.941 -8.657 1.00 4.45 H new ATOM 452 N ILE A 28 -0.289 0.919 -2.805 1.00 33.22 N ATOM 453 CA ILE A 28 -0.020 2.348 -2.801 1.00 24.23 C ATOM 454 C ILE A 28 1.092 2.712 -3.803 1.00 34.10 C ATOM 455 O ILE A 28 2.176 2.090 -3.808 1.00 32.42 O ATOM 456 CB ILE A 28 0.397 2.823 -1.379 1.00 43.22 C ATOM 457 CG1 ILE A 28 -0.665 2.411 -0.343 1.00 61.20 C ATOM 458 CG2 ILE A 28 0.591 4.338 -1.360 1.00 45.41 C ATOM 459 CD1 ILE A 28 -0.323 2.783 1.088 1.00 14.14 C ATOM 0 H ILE A 28 0.415 0.359 -2.323 1.00 33.22 H new ATOM 0 HA ILE A 28 -0.939 2.852 -3.099 1.00 24.23 H new ATOM 0 HB ILE A 28 1.342 2.346 -1.119 1.00 43.22 H new ATOM 0 HG12 ILE A 28 -1.614 2.876 -0.609 1.00 61.20 H new ATOM 0 HG13 ILE A 28 -0.811 1.332 -0.400 1.00 61.20 H new ATOM 0 HG21 ILE A 28 0.882 4.655 -0.359 1.00 45.41 H new ATOM 0 HG22 ILE A 28 1.371 4.614 -2.069 1.00 45.41 H new ATOM 0 HG23 ILE A 28 -0.342 4.828 -1.638 1.00 45.41 H new ATOM 0 HD11 ILE A 28 -1.124 2.456 1.750 1.00 14.14 H new ATOM 0 HD12 ILE A 28 0.608 2.297 1.378 1.00 14.14 H new ATOM 0 HD13 ILE A 28 -0.207 3.864 1.165 1.00 14.14 H new ATOM 471 N LEU A 29 0.806 3.691 -4.657 1.00 34.40 N ATOM 472 CA LEU A 29 1.757 4.220 -5.629 1.00 63.40 C ATOM 473 C LEU A 29 1.865 5.751 -5.470 1.00 41.33 C ATOM 474 O LEU A 29 0.844 6.447 -5.306 1.00 32.40 O ATOM 475 CB LEU A 29 1.359 3.871 -7.109 1.00 24.24 C ATOM 476 CG LEU A 29 1.387 2.375 -7.554 1.00 30.12 C ATOM 477 CD1 LEU A 29 0.309 1.537 -6.902 1.00 73.53 C ATOM 478 CD2 LEU A 29 1.312 2.238 -9.065 1.00 63.24 C ATOM 0 H LEU A 29 -0.106 4.145 -4.693 1.00 34.40 H new ATOM 0 HA LEU A 29 2.720 3.750 -5.430 1.00 63.40 H new ATOM 0 HB2 LEU A 29 0.351 4.249 -7.279 1.00 24.24 H new ATOM 0 HB3 LEU A 29 2.023 4.426 -7.771 1.00 24.24 H new ATOM 0 HG LEU A 29 2.347 1.988 -7.211 1.00 30.12 H new ATOM 0 HD11 LEU A 29 0.385 0.508 -7.255 1.00 73.53 H new ATOM 0 HD12 LEU A 29 0.435 1.560 -5.820 1.00 73.53 H new ATOM 0 HD13 LEU A 29 -0.671 1.938 -7.162 1.00 73.53 H new ATOM 0 HD21 LEU A 29 1.334 1.183 -9.336 1.00 63.24 H new ATOM 0 HD22 LEU A 29 0.386 2.686 -9.425 1.00 63.24 H new ATOM 0 HD23 LEU A 29 2.162 2.747 -9.519 1.00 63.24 H new ATOM 490 N ASN A 30 3.084 6.270 -5.493 1.00 63.34 N ATOM 491 CA ASN A 30 3.307 7.715 -5.390 1.00 71.50 C ATOM 492 C ASN A 30 3.602 8.265 -6.781 1.00 13.10 C ATOM 493 O ASN A 30 4.702 8.067 -7.335 1.00 64.04 O ATOM 494 CB ASN A 30 4.453 8.029 -4.401 1.00 23.11 C ATOM 495 CG ASN A 30 4.674 9.525 -4.153 1.00 55.24 C ATOM 496 OD1 ASN A 30 4.034 10.127 -3.276 1.00 31.21 O ATOM 497 ND2 ASN A 30 5.602 10.117 -4.869 1.00 62.44 N ATOM 0 H ASN A 30 3.937 5.717 -5.582 1.00 63.34 H new ATOM 0 HA ASN A 30 2.412 8.198 -4.998 1.00 71.50 H new ATOM 0 HB2 ASN A 30 4.241 7.541 -3.449 1.00 23.11 H new ATOM 0 HB3 ASN A 30 5.377 7.595 -4.783 1.00 23.11 H new ATOM 0 HD21 ASN A 30 5.816 11.102 -4.712 1.00 62.44 H new ATOM 0 HD22 ASN A 30 6.109 9.592 -5.582 1.00 62.44 H new ATOM 504 N THR A 31 2.618 8.924 -7.344 1.00 71.53 N ATOM 505 CA THR A 31 2.669 9.398 -8.714 1.00 61.50 C ATOM 506 C THR A 31 2.805 10.923 -8.766 1.00 5.23 C ATOM 507 O THR A 31 2.544 11.591 -7.776 1.00 32.53 O ATOM 508 CB THR A 31 1.368 8.997 -9.446 1.00 44.45 C ATOM 509 OG1 THR A 31 0.235 9.592 -8.779 1.00 13.14 O ATOM 510 CG2 THR A 31 1.204 7.483 -9.467 1.00 21.42 C ATOM 0 H THR A 31 1.748 9.151 -6.862 1.00 71.53 H new ATOM 0 HA THR A 31 3.537 8.947 -9.195 1.00 61.50 H new ATOM 0 HB THR A 31 1.425 9.356 -10.474 1.00 44.45 H new ATOM 0 HG1 THR A 31 -0.370 8.886 -8.470 1.00 13.14 H new ATOM 0 HG21 THR A 31 0.282 7.224 -9.987 1.00 21.42 H new ATOM 0 HG22 THR A 31 2.051 7.032 -9.984 1.00 21.42 H new ATOM 0 HG23 THR A 31 1.162 7.107 -8.445 1.00 21.42 H new ATOM 518 N PRO A 32 3.223 11.494 -9.915 1.00 72.45 N ATOM 519 CA PRO A 32 3.307 12.936 -10.076 1.00 62.04 C ATOM 520 C PRO A 32 2.016 13.528 -10.661 1.00 42.42 C ATOM 521 O PRO A 32 1.917 14.727 -10.890 1.00 24.11 O ATOM 522 CB PRO A 32 4.465 13.114 -11.062 1.00 31.11 C ATOM 523 CG PRO A 32 4.610 11.798 -11.782 1.00 74.10 C ATOM 524 CD PRO A 32 3.685 10.795 -11.123 1.00 64.10 C ATOM 0 HA PRO A 32 3.455 13.447 -9.124 1.00 62.04 H new ATOM 0 HB2 PRO A 32 4.258 13.921 -11.764 1.00 31.11 H new ATOM 0 HB3 PRO A 32 5.385 13.375 -10.539 1.00 31.11 H new ATOM 0 HG2 PRO A 32 4.359 11.912 -12.837 1.00 74.10 H new ATOM 0 HG3 PRO A 32 5.642 11.451 -11.736 1.00 74.10 H new ATOM 0 HD2 PRO A 32 2.853 10.528 -11.775 1.00 64.10 H new ATOM 0 HD3 PRO A 32 4.206 9.870 -10.877 1.00 64.10 H new ATOM 532 N ASN A 33 1.038 12.673 -10.918 1.00 72.14 N ATOM 533 CA ASN A 33 -0.231 13.131 -11.482 1.00 51.35 C ATOM 534 C ASN A 33 -1.296 13.169 -10.400 1.00 33.34 C ATOM 535 O ASN A 33 -2.203 13.984 -10.431 1.00 24.43 O ATOM 536 CB ASN A 33 -0.679 12.225 -12.632 1.00 35.31 C ATOM 537 CG ASN A 33 -1.935 12.730 -13.350 1.00 71.23 C ATOM 538 OD1 ASN A 33 -3.104 12.337 -12.890 1.00 14.55 O flip ATOM 539 ND2 ASN A 33 -1.839 13.478 -14.310 1.00 62.33 N flip ATOM 0 H ASN A 33 1.093 11.669 -10.749 1.00 72.14 H new ATOM 0 HA ASN A 33 -0.087 14.136 -11.878 1.00 51.35 H new ATOM 0 HB2 ASN A 33 0.133 12.138 -13.354 1.00 35.31 H new ATOM 0 HB3 ASN A 33 -0.869 11.224 -12.244 1.00 35.31 H new ATOM 0 HD21 ASN A 33 -0.919 13.765 -14.643 1.00 62.33 H new ATOM 0 HD22 ASN A 33 -2.679 13.816 -14.779 1.00 62.33 H new ATOM 546 N CYS A 34 -1.166 12.285 -9.448 1.00 71.31 N ATOM 547 CA CYS A 34 -2.068 12.220 -8.322 1.00 12.33 C ATOM 548 C CYS A 34 -1.243 12.302 -7.056 1.00 41.21 C ATOM 549 O CYS A 34 -0.107 11.817 -7.040 1.00 51.01 O ATOM 550 CB CYS A 34 -2.881 10.908 -8.345 1.00 14.30 C ATOM 551 SG CYS A 34 -4.004 10.720 -9.761 1.00 10.31 S ATOM 0 H CYS A 34 -0.427 11.583 -9.429 1.00 71.31 H new ATOM 0 HA CYS A 34 -2.776 13.047 -8.368 1.00 12.33 H new ATOM 0 HB2 CYS A 34 -2.186 10.068 -8.339 1.00 14.30 H new ATOM 0 HB3 CYS A 34 -3.465 10.845 -7.427 1.00 14.30 H new ATOM 556 N ALA A 35 -1.800 12.932 -6.021 1.00 74.20 N ATOM 557 CA ALA A 35 -1.137 13.124 -4.720 1.00 21.42 C ATOM 558 C ALA A 35 -0.536 11.823 -4.225 1.00 13.24 C ATOM 559 O ALA A 35 0.657 11.725 -3.953 1.00 44.52 O ATOM 560 CB ALA A 35 -2.159 13.623 -3.714 1.00 31.20 C ATOM 0 H ALA A 35 -2.738 13.331 -6.058 1.00 74.20 H new ATOM 0 HA ALA A 35 -0.335 13.852 -4.837 1.00 21.42 H new ATOM 0 HB1 ALA A 35 -1.677 13.768 -2.747 1.00 31.20 H new ATOM 0 HB2 ALA A 35 -2.575 14.570 -4.058 1.00 31.20 H new ATOM 0 HB3 ALA A 35 -2.959 12.890 -3.614 1.00 31.20 H new ATOM 566 N CYS A 36 -1.368 10.847 -4.118 1.00 32.45 N ATOM 567 CA CYS A 36 -0.990 9.528 -3.745 1.00 60.13 C ATOM 568 C CYS A 36 -2.101 8.671 -4.276 1.00 11.44 C ATOM 569 O CYS A 36 -3.258 9.092 -4.253 1.00 1.01 O ATOM 570 CB CYS A 36 -0.855 9.415 -2.200 1.00 32.20 C ATOM 571 SG CYS A 36 -0.179 7.833 -1.588 1.00 32.34 S ATOM 0 H CYS A 36 -2.368 10.949 -4.294 1.00 32.45 H new ATOM 0 HA CYS A 36 -0.020 9.229 -4.143 1.00 60.13 H new ATOM 0 HB2 CYS A 36 -0.216 10.225 -1.848 1.00 32.20 H new ATOM 0 HB3 CYS A 36 -1.838 9.568 -1.754 1.00 32.20 H new ATOM 576 N GLN A 37 -1.803 7.542 -4.810 1.00 54.22 N ATOM 577 CA GLN A 37 -2.846 6.761 -5.389 1.00 51.33 C ATOM 578 C GLN A 37 -2.757 5.354 -4.907 1.00 10.12 C ATOM 579 O GLN A 37 -1.717 4.711 -5.016 1.00 55.25 O ATOM 580 CB GLN A 37 -2.811 6.813 -6.926 1.00 34.31 C ATOM 581 CG GLN A 37 -4.066 6.246 -7.594 1.00 2.40 C ATOM 582 CD GLN A 37 -5.294 7.184 -7.538 1.00 21.24 C ATOM 583 OE1 GLN A 37 -5.352 8.089 -6.561 1.00 30.42 O flip ATOM 584 NE2 GLN A 37 -6.156 7.123 -8.410 1.00 22.22 N flip ATOM 0 H GLN A 37 -0.867 7.140 -4.861 1.00 54.22 H new ATOM 0 HA GLN A 37 -3.799 7.186 -5.073 1.00 51.33 H new ATOM 0 HB2 GLN A 37 -2.679 7.848 -7.242 1.00 34.31 H new ATOM 0 HB3 GLN A 37 -1.941 6.259 -7.279 1.00 34.31 H new ATOM 0 HG2 GLN A 37 -3.840 6.024 -8.637 1.00 2.40 H new ATOM 0 HG3 GLN A 37 -4.323 5.301 -7.116 1.00 2.40 H new ATOM 0 HE21 GLN A 37 -6.088 6.421 -9.146 1.00 22.22 H new ATOM 0 HE22 GLN A 37 -6.941 7.775 -8.398 1.00 22.22 H new ATOM 593 N ILE A 38 -3.822 4.891 -4.362 1.00 50.23 N ATOM 594 CA ILE A 38 -3.878 3.577 -3.852 1.00 14.21 C ATOM 595 C ILE A 38 -4.782 2.776 -4.771 1.00 13.52 C ATOM 596 O ILE A 38 -5.783 3.277 -5.206 1.00 44.43 O ATOM 597 CB ILE A 38 -4.465 3.590 -2.431 1.00 54.10 C ATOM 598 CG1 ILE A 38 -3.755 4.652 -1.571 1.00 34.23 C ATOM 599 CG2 ILE A 38 -4.282 2.227 -1.804 1.00 74.24 C ATOM 600 CD1 ILE A 38 -4.276 4.755 -0.154 1.00 15.40 C ATOM 0 H ILE A 38 -4.687 5.422 -4.258 1.00 50.23 H new ATOM 0 HA ILE A 38 -2.881 3.139 -3.806 1.00 14.21 H new ATOM 0 HB ILE A 38 -5.526 3.833 -2.485 1.00 54.10 H new ATOM 0 HG12 ILE A 38 -2.690 4.424 -1.538 1.00 34.23 H new ATOM 0 HG13 ILE A 38 -3.858 5.623 -2.055 1.00 34.23 H new ATOM 0 HG21 ILE A 38 -4.697 2.232 -0.796 1.00 74.24 H new ATOM 0 HG22 ILE A 38 -4.797 1.478 -2.405 1.00 74.24 H new ATOM 0 HG23 ILE A 38 -3.220 1.987 -1.758 1.00 74.24 H new ATOM 0 HD11 ILE A 38 -3.722 5.526 0.382 1.00 15.40 H new ATOM 0 HD12 ILE A 38 -5.334 5.016 -0.173 1.00 15.40 H new ATOM 0 HD13 ILE A 38 -4.148 3.798 0.351 1.00 15.40 H new ATOM 612 N VAL A 39 -4.408 1.576 -5.085 1.00 22.34 N ATOM 613 CA VAL A 39 -5.173 0.735 -5.973 1.00 71.22 C ATOM 614 C VAL A 39 -5.574 -0.549 -5.244 1.00 54.31 C ATOM 615 O VAL A 39 -4.747 -1.170 -4.571 1.00 1.11 O ATOM 616 CB VAL A 39 -4.346 0.358 -7.228 1.00 34.22 C ATOM 617 CG1 VAL A 39 -5.201 -0.390 -8.233 1.00 51.13 C ATOM 618 CG2 VAL A 39 -3.707 1.591 -7.861 1.00 24.24 C ATOM 0 H VAL A 39 -3.555 1.141 -4.733 1.00 22.34 H new ATOM 0 HA VAL A 39 -6.060 1.287 -6.285 1.00 71.22 H new ATOM 0 HB VAL A 39 -3.541 -0.304 -6.911 1.00 34.22 H new ATOM 0 HG11 VAL A 39 -4.599 -0.644 -9.105 1.00 51.13 H new ATOM 0 HG12 VAL A 39 -5.583 -1.304 -7.777 1.00 51.13 H new ATOM 0 HG13 VAL A 39 -6.037 0.239 -8.540 1.00 51.13 H new ATOM 0 HG21 VAL A 39 -3.134 1.293 -8.739 1.00 24.24 H new ATOM 0 HG22 VAL A 39 -4.486 2.293 -8.157 1.00 24.24 H new ATOM 0 HG23 VAL A 39 -3.044 2.068 -7.139 1.00 24.24 H new ATOM 628 N ALA A 40 -6.816 -0.937 -5.365 1.00 72.32 N ATOM 629 CA ALA A 40 -7.315 -2.123 -4.720 1.00 11.44 C ATOM 630 C ALA A 40 -8.231 -2.904 -5.649 1.00 44.20 C ATOM 631 O ALA A 40 -9.098 -2.340 -6.304 1.00 22.43 O ATOM 632 CB ALA A 40 -8.057 -1.757 -3.455 1.00 11.32 C ATOM 0 H ALA A 40 -7.513 -0.437 -5.916 1.00 72.32 H new ATOM 0 HA ALA A 40 -6.463 -2.754 -4.466 1.00 11.44 H new ATOM 0 HB1 ALA A 40 -8.429 -2.663 -2.977 1.00 11.32 H new ATOM 0 HB2 ALA A 40 -7.382 -1.238 -2.774 1.00 11.32 H new ATOM 0 HB3 ALA A 40 -8.896 -1.105 -3.701 1.00 11.32 H new ATOM 638 N ARG A 41 -8.039 -4.193 -5.713 1.00 53.24 N ATOM 639 CA ARG A 41 -8.907 -5.014 -6.517 1.00 71.34 C ATOM 640 C ARG A 41 -9.977 -5.641 -5.650 1.00 13.25 C ATOM 641 O ARG A 41 -9.665 -6.337 -4.676 1.00 40.22 O ATOM 642 CB ARG A 41 -8.147 -6.085 -7.318 1.00 75.44 C ATOM 643 CG ARG A 41 -7.257 -5.543 -8.424 1.00 14.34 C ATOM 644 CD ARG A 41 -6.700 -6.676 -9.278 1.00 50.42 C ATOM 645 NE ARG A 41 -5.961 -6.185 -10.449 1.00 71.33 N ATOM 646 CZ ARG A 41 -5.296 -6.969 -11.322 1.00 0.41 C ATOM 647 NH1 ARG A 41 -5.264 -8.290 -11.154 1.00 21.33 N ATOM 648 NH2 ARG A 41 -4.670 -6.420 -12.364 1.00 14.21 N ATOM 0 H ARG A 41 -7.298 -4.695 -5.224 1.00 53.24 H new ATOM 0 HA ARG A 41 -9.377 -4.362 -7.253 1.00 71.34 H new ATOM 0 HB2 ARG A 41 -7.534 -6.666 -6.629 1.00 75.44 H new ATOM 0 HB3 ARG A 41 -8.871 -6.772 -7.757 1.00 75.44 H new ATOM 0 HG2 ARG A 41 -7.826 -4.856 -9.050 1.00 14.34 H new ATOM 0 HG3 ARG A 41 -6.436 -4.973 -7.989 1.00 14.34 H new ATOM 0 HD2 ARG A 41 -6.041 -7.295 -8.670 1.00 50.42 H new ATOM 0 HD3 ARG A 41 -7.519 -7.313 -9.610 1.00 50.42 H new ATOM 0 HE ARG A 41 -5.950 -5.178 -10.614 1.00 71.33 H new ATOM 0 HH11 ARG A 41 -5.744 -8.715 -10.361 1.00 21.33 H new ATOM 0 HH12 ARG A 41 -4.759 -8.877 -11.818 1.00 21.33 H new ATOM 0 HH21 ARG A 41 -4.695 -5.409 -12.499 1.00 14.21 H new ATOM 0 HH22 ARG A 41 -4.166 -7.011 -13.026 1.00 14.21 H new ATOM 662 N LEU A 42 -11.223 -5.359 -5.984 1.00 51.04 N ATOM 663 CA LEU A 42 -12.383 -5.870 -5.258 1.00 61.31 C ATOM 664 C LEU A 42 -12.503 -7.396 -5.378 1.00 21.02 C ATOM 665 O LEU A 42 -12.042 -7.999 -6.369 1.00 75.13 O ATOM 666 CB LEU A 42 -13.670 -5.182 -5.749 1.00 33.32 C ATOM 667 CG LEU A 42 -13.724 -3.654 -5.610 1.00 74.31 C ATOM 668 CD1 LEU A 42 -15.062 -3.117 -6.086 1.00 33.42 C ATOM 669 CD2 LEU A 42 -13.454 -3.225 -4.186 1.00 62.23 C ATOM 0 H LEU A 42 -11.466 -4.763 -6.775 1.00 51.04 H new ATOM 0 HA LEU A 42 -12.241 -5.637 -4.203 1.00 61.31 H new ATOM 0 HB2 LEU A 42 -13.813 -5.435 -6.800 1.00 33.32 H new ATOM 0 HB3 LEU A 42 -14.513 -5.605 -5.202 1.00 33.32 H new ATOM 0 HG LEU A 42 -12.941 -3.234 -6.241 1.00 74.31 H new ATOM 0 HD11 LEU A 42 -15.078 -2.032 -5.978 1.00 33.42 H new ATOM 0 HD12 LEU A 42 -15.208 -3.380 -7.134 1.00 33.42 H new ATOM 0 HD13 LEU A 42 -15.862 -3.553 -5.488 1.00 33.42 H new ATOM 0 HD21 LEU A 42 -13.499 -2.138 -4.119 1.00 62.23 H new ATOM 0 HD22 LEU A 42 -14.204 -3.661 -3.526 1.00 62.23 H new ATOM 0 HD23 LEU A 42 -12.464 -3.567 -3.885 1.00 62.23 H new ATOM 681 N LYS A 43 -13.106 -8.008 -4.365 1.00 21.13 N ATOM 682 CA LYS A 43 -13.262 -9.457 -4.273 1.00 44.55 C ATOM 683 C LYS A 43 -14.681 -9.982 -4.540 1.00 31.43 C ATOM 684 O LYS A 43 -15.558 -9.920 -3.671 1.00 10.13 O ATOM 685 CB LYS A 43 -12.711 -9.949 -2.928 1.00 63.22 C ATOM 686 CG LYS A 43 -13.150 -9.104 -1.742 1.00 23.23 C ATOM 687 CD LYS A 43 -12.340 -9.388 -0.491 1.00 4.02 C ATOM 688 CE LYS A 43 -12.592 -10.765 0.086 1.00 1.13 C ATOM 689 NZ LYS A 43 -13.972 -10.908 0.591 1.00 44.14 N ATOM 0 H LYS A 43 -13.506 -7.505 -3.573 1.00 21.13 H new ATOM 0 HA LYS A 43 -12.677 -9.879 -5.090 1.00 44.55 H new ATOM 0 HB2 LYS A 43 -13.032 -10.978 -2.768 1.00 63.22 H new ATOM 0 HB3 LYS A 43 -11.622 -9.958 -2.973 1.00 63.22 H new ATOM 0 HG2 LYS A 43 -13.057 -8.049 -1.998 1.00 23.23 H new ATOM 0 HG3 LYS A 43 -14.204 -9.291 -1.538 1.00 23.23 H new ATOM 0 HD2 LYS A 43 -11.280 -9.287 -0.722 1.00 4.02 H new ATOM 0 HD3 LYS A 43 -12.574 -8.637 0.263 1.00 4.02 H new ATOM 0 HE2 LYS A 43 -12.406 -11.519 -0.679 1.00 1.13 H new ATOM 0 HE3 LYS A 43 -11.888 -10.953 0.896 1.00 1.13 H new ATOM 0 HZ1 LYS A 43 -13.999 -11.644 1.325 1.00 44.14 H new ATOM 0 HZ2 LYS A 43 -14.289 -10.004 0.996 1.00 44.14 H new ATOM 0 HZ3 LYS A 43 -14.602 -11.176 -0.192 1.00 44.14 H new ATOM 745 N ARG A 47 -14.963 -4.760 -10.092 1.00 74.04 N ATOM 746 CA ARG A 47 -13.895 -4.080 -10.792 1.00 75.12 C ATOM 747 C ARG A 47 -12.782 -3.659 -9.854 1.00 4.45 C ATOM 748 O ARG A 47 -12.873 -3.860 -8.645 1.00 65.53 O ATOM 749 CB ARG A 47 -14.423 -2.926 -11.713 1.00 42.01 C ATOM 750 CG ARG A 47 -15.480 -1.976 -11.122 1.00 44.44 C ATOM 751 CD ARG A 47 -14.997 -1.132 -9.945 1.00 53.04 C ATOM 752 NE ARG A 47 -13.924 -0.180 -10.297 1.00 40.31 N ATOM 753 CZ ARG A 47 -13.894 1.127 -9.915 1.00 62.43 C ATOM 754 NH1 ARG A 47 -14.980 1.723 -9.438 1.00 43.50 N ATOM 755 NH2 ARG A 47 -12.780 1.832 -10.052 1.00 22.24 N ATOM 0 HA ARG A 47 -13.444 -4.800 -11.475 1.00 75.12 H new ATOM 0 HB2 ARG A 47 -13.568 -2.326 -12.025 1.00 42.01 H new ATOM 0 HB3 ARG A 47 -14.841 -3.378 -12.613 1.00 42.01 H new ATOM 0 HG2 ARG A 47 -15.829 -1.309 -11.910 1.00 44.44 H new ATOM 0 HG3 ARG A 47 -16.338 -2.566 -10.800 1.00 44.44 H new ATOM 0 HD2 ARG A 47 -15.842 -0.578 -9.536 1.00 53.04 H new ATOM 0 HD3 ARG A 47 -14.639 -1.795 -9.157 1.00 53.04 H new ATOM 0 HE ARG A 47 -13.151 -0.526 -10.866 1.00 40.31 H new ATOM 0 HH11 ARG A 47 -15.852 1.201 -9.353 1.00 43.50 H new ATOM 0 HH12 ARG A 47 -14.942 2.702 -9.156 1.00 43.50 H new ATOM 0 HH21 ARG A 47 -11.945 1.396 -10.444 1.00 22.24 H new ATOM 0 HH22 ARG A 47 -12.757 2.811 -9.766 1.00 22.24 H new ATOM 769 N GLN A 48 -11.741 -3.095 -10.399 1.00 21.21 N ATOM 770 CA GLN A 48 -10.622 -2.664 -9.597 1.00 33.42 C ATOM 771 C GLN A 48 -10.765 -1.191 -9.328 1.00 3.52 C ATOM 772 O GLN A 48 -11.052 -0.408 -10.246 1.00 74.04 O ATOM 773 CB GLN A 48 -9.294 -2.996 -10.306 1.00 34.34 C ATOM 774 CG GLN A 48 -9.144 -2.379 -11.690 1.00 63.03 C ATOM 775 CD GLN A 48 -7.889 -2.824 -12.404 1.00 1.34 C ATOM 776 OE1 GLN A 48 -7.393 -3.942 -12.189 1.00 51.40 O ATOM 777 NE2 GLN A 48 -7.352 -1.971 -13.240 1.00 71.02 N ATOM 0 H GLN A 48 -11.640 -2.921 -11.399 1.00 21.21 H new ATOM 0 HA GLN A 48 -10.611 -3.193 -8.644 1.00 33.42 H new ATOM 0 HB2 GLN A 48 -8.468 -2.657 -9.680 1.00 34.34 H new ATOM 0 HB3 GLN A 48 -9.205 -4.079 -10.393 1.00 34.34 H new ATOM 0 HG2 GLN A 48 -10.012 -2.642 -12.295 1.00 63.03 H new ATOM 0 HG3 GLN A 48 -9.137 -1.293 -11.598 1.00 63.03 H new ATOM 0 HE21 GLN A 48 -7.788 -1.061 -13.391 1.00 71.02 H new ATOM 0 HE22 GLN A 48 -6.498 -2.216 -13.740 1.00 71.02 H new ATOM 786 N VAL A 49 -10.602 -0.817 -8.089 1.00 23.33 N ATOM 787 CA VAL A 49 -10.821 0.539 -7.691 1.00 61.22 C ATOM 788 C VAL A 49 -9.534 1.152 -7.212 1.00 65.40 C ATOM 789 O VAL A 49 -8.604 0.451 -6.812 1.00 3.04 O ATOM 790 CB VAL A 49 -11.920 0.686 -6.560 1.00 20.50 C ATOM 791 CG1 VAL A 49 -13.195 -0.053 -6.891 1.00 54.23 C ATOM 792 CG2 VAL A 49 -11.434 0.332 -5.164 1.00 32.15 C ATOM 0 H VAL A 49 -10.316 -1.441 -7.335 1.00 23.33 H new ATOM 0 HA VAL A 49 -11.189 1.063 -8.573 1.00 61.22 H new ATOM 0 HB VAL A 49 -12.142 1.753 -6.541 1.00 20.50 H new ATOM 0 HG11 VAL A 49 -13.914 0.081 -6.083 1.00 54.23 H new ATOM 0 HG12 VAL A 49 -13.613 0.340 -7.817 1.00 54.23 H new ATOM 0 HG13 VAL A 49 -12.979 -1.115 -7.012 1.00 54.23 H new ATOM 0 HG21 VAL A 49 -12.249 0.460 -4.452 1.00 32.15 H new ATOM 0 HG22 VAL A 49 -11.098 -0.705 -5.148 1.00 32.15 H new ATOM 0 HG23 VAL A 49 -10.606 0.986 -4.890 1.00 32.15 H new ATOM 802 N CYS A 50 -9.466 2.417 -7.274 1.00 13.44 N ATOM 803 CA CYS A 50 -8.367 3.127 -6.726 1.00 10.21 C ATOM 804 C CYS A 50 -8.893 3.934 -5.602 1.00 42.21 C ATOM 805 O CYS A 50 -9.885 4.560 -5.741 1.00 51.11 O ATOM 806 CB CYS A 50 -7.639 3.985 -7.768 1.00 23.21 C ATOM 807 SG CYS A 50 -6.693 3.018 -8.999 1.00 34.33 S ATOM 0 H CYS A 50 -10.175 3.006 -7.710 1.00 13.44 H new ATOM 0 HA CYS A 50 -7.609 2.428 -6.372 1.00 10.21 H new ATOM 0 HB2 CYS A 50 -8.370 4.602 -8.290 1.00 23.21 H new ATOM 0 HB3 CYS A 50 -6.959 4.663 -7.253 1.00 23.21 H new ATOM 812 N ILE A 51 -8.248 3.908 -4.496 1.00 71.05 N ATOM 813 CA ILE A 51 -8.766 4.560 -3.344 1.00 60.35 C ATOM 814 C ILE A 51 -8.069 5.809 -2.988 1.00 11.00 C ATOM 815 O ILE A 51 -6.844 5.949 -3.163 1.00 22.50 O ATOM 816 CB ILE A 51 -9.014 3.662 -2.081 1.00 63.50 C ATOM 817 CG1 ILE A 51 -7.848 2.744 -1.686 1.00 10.14 C ATOM 818 CG2 ILE A 51 -10.240 2.860 -2.242 1.00 2.13 C ATOM 819 CD1 ILE A 51 -7.552 1.613 -2.661 1.00 64.01 C ATOM 0 H ILE A 51 -7.352 3.439 -4.359 1.00 71.05 H new ATOM 0 HA ILE A 51 -9.764 4.830 -3.690 1.00 60.35 H new ATOM 0 HB ILE A 51 -9.121 4.373 -1.262 1.00 63.50 H new ATOM 0 HG12 ILE A 51 -6.950 3.352 -1.576 1.00 10.14 H new ATOM 0 HG13 ILE A 51 -8.062 2.312 -0.708 1.00 10.14 H new ATOM 0 HG21 ILE A 51 -10.392 2.245 -1.355 1.00 2.13 H new ATOM 0 HG22 ILE A 51 -11.094 3.524 -2.374 1.00 2.13 H new ATOM 0 HG23 ILE A 51 -10.142 2.217 -3.116 1.00 2.13 H new ATOM 0 HD11 ILE A 51 -6.713 1.024 -2.291 1.00 64.01 H new ATOM 0 HD12 ILE A 51 -8.430 0.974 -2.755 1.00 64.01 H new ATOM 0 HD13 ILE A 51 -7.301 2.030 -3.636 1.00 64.01 H new ATOM 831 N ASP A 52 -8.873 6.728 -2.526 1.00 32.31 N ATOM 832 CA ASP A 52 -8.443 8.032 -2.091 1.00 14.23 C ATOM 833 C ASP A 52 -7.567 7.852 -0.862 1.00 15.24 C ATOM 834 O ASP A 52 -7.974 7.187 0.089 1.00 72.15 O ATOM 835 CB ASP A 52 -9.682 8.863 -1.707 1.00 53.43 C ATOM 836 CG ASP A 52 -9.412 10.343 -1.486 1.00 50.43 C ATOM 837 OD1 ASP A 52 -8.382 10.699 -0.881 1.00 74.21 O ATOM 838 OD2 ASP A 52 -10.225 11.174 -1.952 1.00 2.03 O ATOM 0 H ASP A 52 -9.879 6.586 -2.439 1.00 32.31 H new ATOM 0 HA ASP A 52 -7.892 8.539 -2.883 1.00 14.23 H new ATOM 0 HB2 ASP A 52 -10.431 8.758 -2.492 1.00 53.43 H new ATOM 0 HB3 ASP A 52 -10.114 8.447 -0.797 1.00 53.43 H new ATOM 843 N PRO A 53 -6.360 8.415 -0.856 1.00 22.04 N ATOM 844 CA PRO A 53 -5.461 8.318 0.293 1.00 20.22 C ATOM 845 C PRO A 53 -6.024 9.033 1.535 1.00 64.34 C ATOM 846 O PRO A 53 -5.575 8.808 2.656 1.00 34.23 O ATOM 847 CB PRO A 53 -4.167 8.988 -0.182 1.00 2.23 C ATOM 848 CG PRO A 53 -4.521 9.763 -1.409 1.00 14.21 C ATOM 849 CD PRO A 53 -5.769 9.158 -1.978 1.00 12.21 C ATOM 0 HA PRO A 53 -5.315 7.283 0.602 1.00 20.22 H new ATOM 0 HB2 PRO A 53 -3.763 9.644 0.589 1.00 2.23 H new ATOM 0 HB3 PRO A 53 -3.401 8.244 -0.400 1.00 2.23 H new ATOM 0 HG2 PRO A 53 -4.680 10.814 -1.166 1.00 14.21 H new ATOM 0 HG3 PRO A 53 -3.709 9.723 -2.136 1.00 14.21 H new ATOM 0 HD2 PRO A 53 -6.449 9.925 -2.349 1.00 12.21 H new ATOM 0 HD3 PRO A 53 -5.544 8.499 -2.817 1.00 12.21 H new ATOM 857 N LYS A 54 -7.025 9.862 1.322 1.00 4.52 N ATOM 858 CA LYS A 54 -7.637 10.628 2.382 1.00 21.55 C ATOM 859 C LYS A 54 -8.926 9.952 2.868 1.00 62.21 C ATOM 860 O LYS A 54 -9.605 10.469 3.749 1.00 30.33 O ATOM 861 CB LYS A 54 -7.959 12.028 1.871 1.00 23.53 C ATOM 862 CG LYS A 54 -6.760 12.758 1.272 1.00 11.45 C ATOM 863 CD LYS A 54 -7.125 14.140 0.726 1.00 54.22 C ATOM 864 CE LYS A 54 -8.238 14.086 -0.332 1.00 33.35 C ATOM 865 NZ LYS A 54 -7.913 13.208 -1.477 1.00 1.01 N ATOM 0 H LYS A 54 -7.437 10.022 0.403 1.00 4.52 H new ATOM 0 HA LYS A 54 -6.940 10.687 3.218 1.00 21.55 H new ATOM 0 HB2 LYS A 54 -8.743 11.958 1.117 1.00 23.53 H new ATOM 0 HB3 LYS A 54 -8.360 12.621 2.693 1.00 23.53 H new ATOM 0 HG2 LYS A 54 -5.987 12.865 2.033 1.00 11.45 H new ATOM 0 HG3 LYS A 54 -6.336 12.155 0.469 1.00 11.45 H new ATOM 0 HD2 LYS A 54 -7.443 14.779 1.550 1.00 54.22 H new ATOM 0 HD3 LYS A 54 -6.238 14.600 0.291 1.00 54.22 H new ATOM 0 HE2 LYS A 54 -9.158 13.736 0.136 1.00 33.35 H new ATOM 0 HE3 LYS A 54 -8.430 15.094 -0.699 1.00 33.35 H new ATOM 0 HZ1 LYS A 54 -8.687 13.241 -2.170 1.00 1.01 H new ATOM 0 HZ2 LYS A 54 -7.033 13.534 -1.925 1.00 1.01 H new ATOM 0 HZ3 LYS A 54 -7.790 12.231 -1.142 1.00 1.01 H new ATOM 879 N LEU A 55 -9.254 8.797 2.278 1.00 42.42 N ATOM 880 CA LEU A 55 -10.450 8.044 2.631 1.00 5.34 C ATOM 881 C LEU A 55 -10.363 7.679 4.123 1.00 42.34 C ATOM 882 O LEU A 55 -9.302 7.271 4.591 1.00 30.43 O ATOM 883 CB LEU A 55 -10.478 6.771 1.787 1.00 32.02 C ATOM 884 CG LEU A 55 -11.835 6.213 1.384 1.00 2.44 C ATOM 885 CD1 LEU A 55 -11.670 4.953 0.556 1.00 50.11 C ATOM 886 CD2 LEU A 55 -12.767 5.976 2.560 1.00 53.52 C ATOM 0 H LEU A 55 -8.695 8.363 1.544 1.00 42.42 H new ATOM 0 HA LEU A 55 -11.353 8.626 2.447 1.00 5.34 H new ATOM 0 HB2 LEU A 55 -9.911 6.961 0.876 1.00 32.02 H new ATOM 0 HB3 LEU A 55 -9.947 5.994 2.336 1.00 32.02 H new ATOM 0 HG LEU A 55 -12.314 6.980 0.774 1.00 2.44 H new ATOM 0 HD11 LEU A 55 -12.652 4.569 0.278 1.00 50.11 H new ATOM 0 HD12 LEU A 55 -11.101 5.182 -0.345 1.00 50.11 H new ATOM 0 HD13 LEU A 55 -11.139 4.201 1.140 1.00 50.11 H new ATOM 0 HD21 LEU A 55 -13.715 5.578 2.198 1.00 53.52 H new ATOM 0 HD22 LEU A 55 -12.312 5.262 3.247 1.00 53.52 H new ATOM 0 HD23 LEU A 55 -12.943 6.918 3.080 1.00 53.52 H new ATOM 898 N LYS A 56 -11.471 7.804 4.843 1.00 32.31 N ATOM 899 CA LYS A 56 -11.486 7.601 6.290 1.00 55.34 C ATOM 900 C LYS A 56 -10.935 6.227 6.729 1.00 2.42 C ATOM 901 O LYS A 56 -10.110 6.174 7.633 1.00 21.53 O ATOM 902 CB LYS A 56 -12.873 7.871 6.888 1.00 53.44 C ATOM 903 CG LYS A 56 -12.914 7.893 8.421 1.00 22.23 C ATOM 904 CD LYS A 56 -12.034 9.013 8.987 1.00 11.25 C ATOM 905 CE LYS A 56 -12.196 9.179 10.500 1.00 61.12 C ATOM 906 NZ LYS A 56 -11.822 7.971 11.264 1.00 14.12 N ATOM 0 H LYS A 56 -12.379 8.047 4.446 1.00 32.31 H new ATOM 0 HA LYS A 56 -10.796 8.340 6.697 1.00 55.34 H new ATOM 0 HB2 LYS A 56 -13.235 8.829 6.514 1.00 53.44 H new ATOM 0 HB3 LYS A 56 -13.563 7.107 6.530 1.00 53.44 H new ATOM 0 HG2 LYS A 56 -13.942 8.030 8.757 1.00 22.23 H new ATOM 0 HG3 LYS A 56 -12.577 6.932 8.810 1.00 22.23 H new ATOM 0 HD2 LYS A 56 -10.990 8.801 8.758 1.00 11.25 H new ATOM 0 HD3 LYS A 56 -12.284 9.952 8.493 1.00 11.25 H new ATOM 0 HE2 LYS A 56 -11.583 10.016 10.834 1.00 61.12 H new ATOM 0 HE3 LYS A 56 -13.232 9.434 10.722 1.00 61.12 H new ATOM 0 HZ1 LYS A 56 -12.034 8.118 12.272 1.00 14.12 H new ATOM 0 HZ2 LYS A 56 -12.364 7.156 10.912 1.00 14.12 H new ATOM 0 HZ3 LYS A 56 -10.805 7.787 11.147 1.00 14.12 H new ATOM 920 N TRP A 57 -11.363 5.113 6.096 1.00 21.42 N ATOM 921 CA TRP A 57 -10.796 3.814 6.498 1.00 0.33 C ATOM 922 C TRP A 57 -9.334 3.704 6.110 1.00 44.12 C ATOM 923 O TRP A 57 -8.587 2.994 6.746 1.00 20.25 O ATOM 924 CB TRP A 57 -11.604 2.553 6.063 1.00 34.50 C ATOM 925 CG TRP A 57 -11.743 2.327 4.597 1.00 23.04 C ATOM 926 CD1 TRP A 57 -12.766 2.727 3.803 1.00 11.34 C ATOM 927 CD2 TRP A 57 -10.836 1.604 3.752 1.00 72.23 C ATOM 928 NE1 TRP A 57 -12.554 2.312 2.518 1.00 10.52 N ATOM 929 CE2 TRP A 57 -11.374 1.620 2.461 1.00 64.33 C ATOM 930 CE3 TRP A 57 -9.613 0.949 3.967 1.00 11.53 C ATOM 931 CZ2 TRP A 57 -10.742 1.008 1.381 1.00 0.30 C ATOM 932 CZ3 TRP A 57 -8.990 0.342 2.895 1.00 22.31 C ATOM 933 CH2 TRP A 57 -9.559 0.376 1.615 1.00 12.44 C ATOM 0 H TRP A 57 -12.057 5.084 5.349 1.00 21.42 H new ATOM 0 HA TRP A 57 -10.878 3.813 7.585 1.00 0.33 H new ATOM 0 HB2 TRP A 57 -11.128 1.675 6.500 1.00 34.50 H new ATOM 0 HB3 TRP A 57 -12.603 2.622 6.494 1.00 34.50 H new ATOM 0 HD1 TRP A 57 -13.624 3.292 4.137 1.00 11.34 H new ATOM 0 HE1 TRP A 57 -13.175 2.489 1.729 1.00 10.52 H new ATOM 0 HE3 TRP A 57 -9.169 0.921 4.951 1.00 11.53 H new ATOM 0 HZ2 TRP A 57 -11.175 1.034 0.392 1.00 0.30 H new ATOM 0 HZ3 TRP A 57 -8.049 -0.167 3.045 1.00 22.31 H new ATOM 0 HH2 TRP A 57 -9.048 -0.109 0.797 1.00 12.44 H new ATOM 944 N ILE A 58 -8.937 4.418 5.057 1.00 64.20 N ATOM 945 CA ILE A 58 -7.536 4.478 4.656 1.00 0.14 C ATOM 946 C ILE A 58 -6.738 5.178 5.743 1.00 5.32 C ATOM 947 O ILE A 58 -5.689 4.688 6.161 1.00 31.33 O ATOM 948 CB ILE A 58 -7.343 5.204 3.285 1.00 34.14 C ATOM 949 CG1 ILE A 58 -7.924 4.366 2.135 1.00 53.11 C ATOM 950 CG2 ILE A 58 -5.876 5.528 3.026 1.00 41.51 C ATOM 951 CD1 ILE A 58 -7.215 3.049 1.938 1.00 12.24 C ATOM 0 H ILE A 58 -9.567 4.962 4.468 1.00 64.20 H new ATOM 0 HA ILE A 58 -7.176 3.458 4.525 1.00 0.14 H new ATOM 0 HB ILE A 58 -7.888 6.147 3.334 1.00 34.14 H new ATOM 0 HG12 ILE A 58 -8.980 4.177 2.330 1.00 53.11 H new ATOM 0 HG13 ILE A 58 -7.869 4.942 1.211 1.00 53.11 H new ATOM 0 HG21 ILE A 58 -5.779 6.032 2.064 1.00 41.51 H new ATOM 0 HG22 ILE A 58 -5.502 6.179 3.816 1.00 41.51 H new ATOM 0 HG23 ILE A 58 -5.297 4.605 3.012 1.00 41.51 H new ATOM 0 HD11 ILE A 58 -7.675 2.508 1.111 1.00 12.24 H new ATOM 0 HD12 ILE A 58 -6.164 3.232 1.712 1.00 12.24 H new ATOM 0 HD13 ILE A 58 -7.292 2.454 2.848 1.00 12.24 H new ATOM 963 N GLN A 59 -7.274 6.310 6.209 1.00 60.52 N ATOM 964 CA GLN A 59 -6.698 7.077 7.307 1.00 64.53 C ATOM 965 C GLN A 59 -6.454 6.159 8.487 1.00 55.23 C ATOM 966 O GLN A 59 -5.350 6.091 9.022 1.00 4.50 O ATOM 967 CB GLN A 59 -7.682 8.152 7.753 1.00 42.00 C ATOM 968 CG GLN A 59 -8.043 9.195 6.715 1.00 53.22 C ATOM 969 CD GLN A 59 -6.888 10.075 6.356 1.00 63.52 C ATOM 970 OE1 GLN A 59 -6.669 11.101 6.999 1.00 42.30 O ATOM 971 NE2 GLN A 59 -6.166 9.719 5.337 1.00 42.40 N ATOM 0 H GLN A 59 -8.127 6.720 5.828 1.00 60.52 H new ATOM 0 HA GLN A 59 -5.766 7.529 6.969 1.00 64.53 H new ATOM 0 HB2 GLN A 59 -8.599 7.663 8.082 1.00 42.00 H new ATOM 0 HB3 GLN A 59 -7.264 8.662 8.621 1.00 42.00 H new ATOM 0 HG2 GLN A 59 -8.408 8.697 5.817 1.00 53.22 H new ATOM 0 HG3 GLN A 59 -8.860 9.810 7.093 1.00 53.22 H new ATOM 0 HE21 GLN A 59 -6.384 8.860 4.833 1.00 42.40 H new ATOM 0 HE22 GLN A 59 -5.381 10.299 5.041 1.00 42.40 H new ATOM 980 N GLU A 60 -7.493 5.426 8.852 1.00 11.31 N ATOM 981 CA GLU A 60 -7.438 4.504 9.944 1.00 3.31 C ATOM 982 C GLU A 60 -6.422 3.412 9.661 1.00 0.42 C ATOM 983 O GLU A 60 -5.527 3.195 10.444 1.00 70.32 O ATOM 984 CB GLU A 60 -8.814 3.857 10.146 1.00 41.33 C ATOM 985 CG GLU A 60 -9.954 4.826 10.417 1.00 13.21 C ATOM 986 CD GLU A 60 -9.765 5.624 11.667 1.00 14.12 C ATOM 987 OE1 GLU A 60 -10.088 5.122 12.751 1.00 53.42 O ATOM 988 OE2 GLU A 60 -9.314 6.783 11.584 1.00 23.31 O ATOM 0 H GLU A 60 -8.400 5.464 8.387 1.00 11.31 H new ATOM 0 HA GLU A 60 -7.146 5.049 10.842 1.00 3.31 H new ATOM 0 HB2 GLU A 60 -9.057 3.275 9.257 1.00 41.33 H new ATOM 0 HB3 GLU A 60 -8.749 3.156 10.978 1.00 41.33 H new ATOM 0 HG2 GLU A 60 -10.053 5.506 9.571 1.00 13.21 H new ATOM 0 HG3 GLU A 60 -10.888 4.268 10.488 1.00 13.21 H new ATOM 995 N TYR A 61 -6.546 2.778 8.498 1.00 22.30 N ATOM 996 CA TYR A 61 -5.745 1.615 8.144 1.00 53.43 C ATOM 997 C TYR A 61 -4.259 1.926 8.154 1.00 72.42 C ATOM 998 O TYR A 61 -3.461 1.131 8.664 1.00 64.12 O ATOM 999 CB TYR A 61 -6.155 1.050 6.780 1.00 74.45 C ATOM 1000 CG TYR A 61 -5.607 -0.335 6.526 1.00 72.34 C ATOM 1001 CD1 TYR A 61 -6.313 -1.439 6.971 1.00 2.33 C ATOM 1002 CD2 TYR A 61 -4.387 -0.549 5.873 1.00 1.14 C ATOM 1003 CE1 TYR A 61 -5.840 -2.706 6.780 1.00 41.12 C ATOM 1004 CE2 TYR A 61 -3.907 -1.819 5.685 1.00 73.40 C ATOM 1005 CZ TYR A 61 -4.639 -2.895 6.140 1.00 22.40 C ATOM 1006 OH TYR A 61 -4.161 -4.158 5.966 1.00 54.34 O ATOM 0 H TYR A 61 -7.207 3.059 7.774 1.00 22.30 H new ATOM 0 HA TYR A 61 -5.937 0.860 8.906 1.00 53.43 H new ATOM 0 HB2 TYR A 61 -7.243 1.022 6.717 1.00 74.45 H new ATOM 0 HB3 TYR A 61 -5.807 1.722 5.995 1.00 74.45 H new ATOM 0 HD1 TYR A 61 -7.255 -1.296 7.479 1.00 2.33 H new ATOM 0 HD2 TYR A 61 -3.818 0.296 5.514 1.00 1.14 H new ATOM 0 HE1 TYR A 61 -6.407 -3.555 7.130 1.00 41.12 H new ATOM 0 HE2 TYR A 61 -2.963 -1.976 5.184 1.00 73.40 H new ATOM 0 HH TYR A 61 -3.434 -4.145 5.309 1.00 54.34 H new ATOM 1016 N LEU A 62 -3.884 3.075 7.608 1.00 11.32 N ATOM 1017 CA LEU A 62 -2.488 3.461 7.580 1.00 21.15 C ATOM 1018 C LEU A 62 -1.996 3.638 8.993 1.00 31.13 C ATOM 1019 O LEU A 62 -0.987 3.063 9.373 1.00 43.30 O ATOM 1020 CB LEU A 62 -2.266 4.732 6.761 1.00 1.20 C ATOM 1021 CG LEU A 62 -2.720 4.676 5.299 1.00 10.43 C ATOM 1022 CD1 LEU A 62 -2.393 5.974 4.576 1.00 73.11 C ATOM 1023 CD2 LEU A 62 -2.118 3.485 4.571 1.00 41.43 C ATOM 0 H LEU A 62 -4.523 3.747 7.184 1.00 11.32 H new ATOM 0 HA LEU A 62 -1.918 2.670 7.092 1.00 21.15 H new ATOM 0 HB2 LEU A 62 -2.789 5.553 7.252 1.00 1.20 H new ATOM 0 HB3 LEU A 62 -1.203 4.973 6.782 1.00 1.20 H new ATOM 0 HG LEU A 62 -3.803 4.549 5.299 1.00 10.43 H new ATOM 0 HD11 LEU A 62 -2.726 5.907 3.540 1.00 73.11 H new ATOM 0 HD12 LEU A 62 -2.902 6.803 5.068 1.00 73.11 H new ATOM 0 HD13 LEU A 62 -1.316 6.143 4.601 1.00 73.11 H new ATOM 0 HD21 LEU A 62 -2.463 3.478 3.537 1.00 41.43 H new ATOM 0 HD22 LEU A 62 -1.031 3.558 4.591 1.00 41.43 H new ATOM 0 HD23 LEU A 62 -2.428 2.563 5.063 1.00 41.43 H new ATOM 1035 N GLU A 63 -2.738 4.412 9.779 1.00 71.11 N ATOM 1036 CA GLU A 63 -2.439 4.578 11.205 1.00 10.30 C ATOM 1037 C GLU A 63 -2.387 3.219 11.986 1.00 55.40 C ATOM 1038 O GLU A 63 -1.650 3.089 12.969 1.00 14.23 O ATOM 1039 CB GLU A 63 -3.428 5.549 11.864 1.00 45.11 C ATOM 1040 CG GLU A 63 -3.353 6.970 11.320 1.00 61.25 C ATOM 1041 CD GLU A 63 -4.253 7.925 12.065 1.00 64.41 C ATOM 1042 OE1 GLU A 63 -3.819 8.465 13.102 1.00 70.41 O ATOM 1043 OE2 GLU A 63 -5.407 8.149 11.646 1.00 32.12 O ATOM 0 H GLU A 63 -3.552 4.936 9.456 1.00 71.11 H new ATOM 0 HA GLU A 63 -1.437 5.004 11.260 1.00 10.30 H new ATOM 0 HB2 GLU A 63 -4.441 5.170 11.725 1.00 45.11 H new ATOM 0 HB3 GLU A 63 -3.240 5.571 12.937 1.00 45.11 H new ATOM 0 HG2 GLU A 63 -2.324 7.324 11.380 1.00 61.25 H new ATOM 0 HG3 GLU A 63 -3.627 6.966 10.265 1.00 61.25 H new ATOM 1050 N LYS A 64 -3.154 2.222 11.540 1.00 2.20 N ATOM 1051 CA LYS A 64 -3.169 0.899 12.202 1.00 50.34 C ATOM 1052 C LYS A 64 -1.931 0.099 11.827 1.00 62.30 C ATOM 1053 O LYS A 64 -1.256 -0.476 12.687 1.00 32.13 O ATOM 1054 CB LYS A 64 -4.362 0.084 11.708 1.00 5.32 C ATOM 1055 CG LYS A 64 -5.719 0.698 11.913 1.00 73.21 C ATOM 1056 CD LYS A 64 -6.098 0.831 13.366 1.00 0.03 C ATOM 1057 CE LYS A 64 -7.451 1.491 13.504 1.00 21.24 C ATOM 1058 NZ LYS A 64 -7.891 1.541 14.905 1.00 41.34 N ATOM 0 H LYS A 64 -3.771 2.296 10.731 1.00 2.20 H new ATOM 0 HA LYS A 64 -3.214 1.074 13.277 1.00 50.34 H new ATOM 0 HB2 LYS A 64 -4.230 -0.105 10.643 1.00 5.32 H new ATOM 0 HB3 LYS A 64 -4.346 -0.884 12.208 1.00 5.32 H new ATOM 0 HG2 LYS A 64 -5.739 1.683 11.448 1.00 73.21 H new ATOM 0 HG3 LYS A 64 -6.466 0.090 11.404 1.00 73.21 H new ATOM 0 HD2 LYS A 64 -6.118 -0.153 13.834 1.00 0.03 H new ATOM 0 HD3 LYS A 64 -5.345 1.419 13.892 1.00 0.03 H new ATOM 0 HE2 LYS A 64 -7.405 2.503 13.101 1.00 21.24 H new ATOM 0 HE3 LYS A 64 -8.185 0.944 12.911 1.00 21.24 H new ATOM 0 HZ1 LYS A 64 -8.822 2.000 14.960 1.00 41.34 H new ATOM 0 HZ2 LYS A 64 -7.959 0.574 15.282 1.00 41.34 H new ATOM 0 HZ3 LYS A 64 -7.204 2.084 15.466 1.00 41.34 H new ATOM 1072 N CYS A 65 -1.634 0.101 10.548 1.00 32.24 N ATOM 1073 CA CYS A 65 -0.506 -0.644 9.978 1.00 75.54 C ATOM 1074 C CYS A 65 0.822 -0.029 10.401 1.00 62.41 C ATOM 1075 O CYS A 65 1.825 -0.722 10.520 1.00 24.24 O ATOM 1076 CB CYS A 65 -0.636 -0.683 8.431 1.00 25.02 C ATOM 1077 SG CYS A 65 0.698 -1.567 7.533 1.00 5.13 S ATOM 0 H CYS A 65 -2.169 0.624 9.854 1.00 32.24 H new ATOM 0 HA CYS A 65 -0.528 -1.665 10.358 1.00 75.54 H new ATOM 0 HB2 CYS A 65 -1.588 -1.150 8.178 1.00 25.02 H new ATOM 0 HB3 CYS A 65 -0.676 0.342 8.064 1.00 25.02 H new ATOM 1082 N LEU A 66 0.781 1.267 10.670 1.00 64.22 N ATOM 1083 CA LEU A 66 1.925 2.064 11.053 1.00 2.34 C ATOM 1084 C LEU A 66 2.540 1.504 12.349 1.00 72.31 C ATOM 1085 O LEU A 66 3.754 1.498 12.520 1.00 42.31 O ATOM 1086 CB LEU A 66 1.412 3.521 11.260 1.00 61.14 C ATOM 1087 CG LEU A 66 2.412 4.696 11.242 1.00 62.21 C ATOM 1088 CD1 LEU A 66 3.411 4.647 12.356 1.00 70.14 C ATOM 1089 CD2 LEU A 66 3.112 4.766 9.918 1.00 31.10 C ATOM 0 H LEU A 66 -0.083 1.807 10.625 1.00 64.22 H new ATOM 0 HA LEU A 66 2.702 2.042 10.289 1.00 2.34 H new ATOM 0 HB2 LEU A 66 0.667 3.716 10.488 1.00 61.14 H new ATOM 0 HB3 LEU A 66 0.893 3.550 12.218 1.00 61.14 H new ATOM 0 HG LEU A 66 1.824 5.601 11.396 1.00 62.21 H new ATOM 0 HD11 LEU A 66 4.082 5.503 12.281 1.00 70.14 H new ATOM 0 HD12 LEU A 66 2.890 4.677 13.313 1.00 70.14 H new ATOM 0 HD13 LEU A 66 3.989 3.726 12.286 1.00 70.14 H new ATOM 0 HD21 LEU A 66 3.814 5.600 9.921 1.00 31.10 H new ATOM 0 HD22 LEU A 66 3.654 3.836 9.743 1.00 31.10 H new ATOM 0 HD23 LEU A 66 2.378 4.913 9.126 1.00 31.10 H new ATOM 1101 N ASN A 67 1.697 1.016 13.237 1.00 72.10 N ATOM 1102 CA ASN A 67 2.172 0.536 14.525 1.00 34.13 C ATOM 1103 C ASN A 67 1.940 -0.939 14.772 1.00 54.12 C ATOM 1104 O ASN A 67 2.858 -1.651 15.191 1.00 4.03 O ATOM 1105 CB ASN A 67 1.641 1.395 15.682 1.00 74.11 C ATOM 1106 CG ASN A 67 1.928 0.793 17.051 1.00 42.22 C ATOM 1107 OD1 ASN A 67 1.093 0.065 17.606 1.00 64.33 O ATOM 1108 ND2 ASN A 67 3.089 1.050 17.590 1.00 42.32 N ATOM 0 H ASN A 67 0.690 0.940 13.096 1.00 72.10 H new ATOM 0 HA ASN A 67 3.255 0.648 14.484 1.00 34.13 H new ATOM 0 HB2 ASN A 67 2.089 2.387 15.626 1.00 74.11 H new ATOM 0 HB3 ASN A 67 0.565 1.525 15.567 1.00 74.11 H new ATOM 0 HD21 ASN A 67 3.332 0.647 18.495 1.00 42.32 H new ATOM 0 HD22 ASN A 67 3.754 1.654 17.106 1.00 42.32 H new ATOM 1404 N GLY B 119 -13.981 6.305 -11.556 1.00 43.13 N ATOM 1405 CA GLY B 119 -14.227 6.723 -10.195 1.00 65.21 C ATOM 1406 C GLY B 119 -15.675 6.758 -9.809 1.00 11.11 C ATOM 1407 O GLY B 119 -16.492 7.473 -10.418 1.00 53.10 O ATOM 0 HA2 GLY B 119 -13.700 6.049 -9.520 1.00 65.21 H new ATOM 0 HA3 GLY B 119 -13.801 7.716 -10.050 1.00 65.21 H new ATOM 1411 N ASP B 120 -15.990 6.007 -8.814 1.00 40.11 N ATOM 1412 CA ASP B 120 -17.315 5.934 -8.280 1.00 75.21 C ATOM 1413 C ASP B 120 -17.178 5.907 -6.757 1.00 5.04 C ATOM 1414 O ASP B 120 -16.099 6.232 -6.247 1.00 12.01 O ATOM 1415 CB ASP B 120 -17.960 4.666 -8.788 1.00 34.24 C ATOM 1416 CG ASP B 120 -19.454 4.611 -8.577 1.00 60.43 C ATOM 1417 OD1 ASP B 120 -20.195 5.120 -9.449 1.00 33.05 O ATOM 1418 OD2 ASP B 120 -19.914 4.068 -7.549 1.00 3.35 O ATOM 0 H ASP B 120 -15.320 5.408 -8.332 1.00 40.11 H new ATOM 0 HA ASP B 120 -17.933 6.780 -8.580 1.00 75.21 H new ATOM 0 HB2 ASP B 120 -17.750 4.565 -9.853 1.00 34.24 H new ATOM 0 HB3 ASP B 120 -17.501 3.812 -8.290 1.00 34.24 H new ATOM 1447 N ASP B 122 -18.621 7.922 -4.504 1.00 61.52 N ATOM 1448 CA ASP B 122 -18.355 9.358 -4.283 1.00 54.30 C ATOM 1449 C ASP B 122 -17.238 9.841 -5.162 1.00 50.12 C ATOM 1450 O ASP B 122 -17.378 10.837 -5.878 1.00 22.00 O ATOM 1451 CB ASP B 122 -18.077 9.713 -2.837 1.00 71.33 C ATOM 1452 CG ASP B 122 -19.301 9.665 -1.957 1.00 53.50 C ATOM 1453 OD1 ASP B 122 -19.688 8.576 -1.522 1.00 33.41 O ATOM 1454 OD2 ASP B 122 -19.884 10.735 -1.669 1.00 32.23 O ATOM 0 HA ASP B 122 -19.278 9.871 -4.554 1.00 54.30 H new ATOM 0 HB2 ASP B 122 -17.328 9.027 -2.441 1.00 71.33 H new ATOM 0 HB3 ASP B 122 -17.648 10.714 -2.793 1.00 71.33 H new ATOM 1459 N SER B 123 -16.125 9.152 -5.071 1.00 21.41 N ATOM 1460 CA SER B 123 -14.969 9.358 -5.900 1.00 43.04 C ATOM 1461 C SER B 123 -14.237 10.714 -5.678 1.00 53.42 C ATOM 1462 O SER B 123 -13.266 11.030 -6.375 1.00 32.23 O ATOM 1463 CB SER B 123 -15.333 9.058 -7.372 1.00 51.35 C ATOM 1464 OG SER B 123 -14.254 9.279 -8.265 1.00 53.04 O ATOM 0 H SER B 123 -15.999 8.404 -4.389 1.00 21.41 H new ATOM 0 HA SER B 123 -14.207 8.644 -5.588 1.00 43.04 H new ATOM 0 HB2 SER B 123 -15.660 8.022 -7.456 1.00 51.35 H new ATOM 0 HB3 SER B 123 -16.176 9.683 -7.667 1.00 51.35 H new ATOM 0 HG SER B 123 -13.437 8.884 -7.895 1.00 53.04 H new ATOM 1470 N MET B 124 -14.694 11.491 -4.700 1.00 51.22 N ATOM 1471 CA MET B 124 -14.045 12.747 -4.315 1.00 21.54 C ATOM 1472 C MET B 124 -14.307 13.016 -2.851 1.00 55.35 C ATOM 1473 O MET B 124 -15.455 13.267 -2.473 1.00 35.03 O ATOM 1474 CB MET B 124 -14.562 13.947 -5.136 1.00 73.25 C ATOM 1475 CG MET B 124 -14.258 13.896 -6.615 1.00 74.52 C ATOM 1476 SD MET B 124 -14.890 15.322 -7.527 1.00 72.13 S ATOM 1477 CE MET B 124 -14.012 16.657 -6.717 1.00 3.52 C ATOM 0 H MET B 124 -15.524 11.270 -4.150 1.00 51.22 H new ATOM 0 HA MET B 124 -12.978 12.637 -4.510 1.00 21.54 H new ATOM 0 HB2 MET B 124 -15.642 14.017 -5.006 1.00 73.25 H new ATOM 0 HB3 MET B 124 -14.132 14.860 -4.725 1.00 73.25 H new ATOM 0 HG2 MET B 124 -13.179 13.834 -6.755 1.00 74.52 H new ATOM 0 HG3 MET B 124 -14.687 12.986 -7.035 1.00 74.52 H new ATOM 0 HE1 MET B 124 -14.021 17.540 -7.357 1.00 3.52 H new ATOM 0 HE2 MET B 124 -14.498 16.890 -5.770 1.00 3.52 H new ATOM 0 HE3 MET B 124 -12.981 16.355 -6.531 1.00 3.52 H new ATOM 1487 N LYS B 125 -13.282 12.921 -2.016 1.00 10.02 N ATOM 1488 CA LYS B 125 -13.428 13.212 -0.606 1.00 3.13 C ATOM 1489 C LYS B 125 -12.225 13.929 -0.026 1.00 53.02 C ATOM 1490 O LYS B 125 -11.324 14.374 -0.736 1.00 44.30 O ATOM 1491 CB LYS B 125 -13.756 11.963 0.244 1.00 61.15 C ATOM 1492 CG LYS B 125 -15.163 11.411 0.105 1.00 53.31 C ATOM 1493 CD LYS B 125 -16.178 12.430 0.602 1.00 71.32 C ATOM 1494 CE LYS B 125 -16.024 12.756 2.087 1.00 25.23 C ATOM 1495 NZ LYS B 125 -16.990 13.793 2.516 1.00 22.41 N ATOM 0 H LYS B 125 -12.341 12.644 -2.296 1.00 10.02 H new ATOM 0 HA LYS B 125 -14.284 13.885 -0.553 1.00 3.13 H new ATOM 0 HB2 LYS B 125 -13.051 11.175 -0.019 1.00 61.15 H new ATOM 0 HB3 LYS B 125 -13.585 12.207 1.293 1.00 61.15 H new ATOM 0 HG2 LYS B 125 -15.364 11.165 -0.938 1.00 53.31 H new ATOM 0 HG3 LYS B 125 -15.257 10.486 0.674 1.00 53.31 H new ATOM 0 HD2 LYS B 125 -16.076 13.348 0.022 1.00 71.32 H new ATOM 0 HD3 LYS B 125 -17.183 12.050 0.422 1.00 71.32 H new ATOM 0 HE2 LYS B 125 -16.173 11.852 2.677 1.00 25.23 H new ATOM 0 HE3 LYS B 125 -15.008 13.100 2.282 1.00 25.23 H new ATOM 0 HZ1 LYS B 125 -16.859 13.991 3.529 1.00 22.41 H new ATOM 0 HZ2 LYS B 125 -16.831 14.663 1.969 1.00 22.41 H new ATOM 0 HZ3 LYS B 125 -17.959 13.454 2.352 1.00 22.41 H new ATOM 1509 N GLU B 126 -12.259 14.038 1.265 1.00 61.04 N ATOM 1510 CA GLU B 126 -11.311 14.687 2.101 1.00 35.31 C ATOM 1511 C GLU B 126 -11.214 13.806 3.342 1.00 31.03 C ATOM 1512 O GLU B 126 -12.113 12.972 3.544 1.00 60.13 O ATOM 1513 CB GLU B 126 -11.913 16.050 2.460 1.00 52.53 C ATOM 1514 CG GLU B 126 -13.326 15.912 3.028 1.00 22.32 C ATOM 1515 CD GLU B 126 -14.021 17.211 3.267 1.00 73.22 C ATOM 1516 OE1 GLU B 126 -14.447 17.849 2.290 1.00 24.01 O ATOM 1517 OE2 GLU B 126 -14.205 17.587 4.433 1.00 52.45 O ATOM 0 H GLU B 126 -13.025 13.636 1.806 1.00 61.04 H new ATOM 0 HA GLU B 126 -10.330 14.830 1.648 1.00 35.31 H new ATOM 0 HB2 GLU B 126 -11.275 16.549 3.189 1.00 52.53 H new ATOM 0 HB3 GLU B 126 -11.938 16.682 1.572 1.00 52.53 H new ATOM 0 HG2 GLU B 126 -13.925 15.314 2.341 1.00 22.32 H new ATOM 0 HG3 GLU B 126 -13.275 15.362 3.968 1.00 22.32 H new ATOM 1524 N PRO B 127 -10.166 13.915 4.165 1.00 61.15 N ATOM 1525 CA PRO B 127 -10.084 13.123 5.372 1.00 42.35 C ATOM 1526 C PRO B 127 -10.938 13.729 6.485 1.00 60.34 C ATOM 1527 O PRO B 127 -11.791 14.572 6.249 1.00 64.23 O ATOM 1528 CB PRO B 127 -8.602 13.215 5.736 1.00 71.44 C ATOM 1529 CG PRO B 127 -8.182 14.545 5.242 1.00 32.23 C ATOM 1530 CD PRO B 127 -8.978 14.791 3.999 1.00 50.13 C ATOM 0 HA PRO B 127 -10.443 12.103 5.238 1.00 42.35 H new ATOM 0 HB2 PRO B 127 -8.451 13.125 6.812 1.00 71.44 H new ATOM 0 HB3 PRO B 127 -8.027 12.417 5.266 1.00 71.44 H new ATOM 0 HG2 PRO B 127 -8.373 15.317 5.987 1.00 32.23 H new ATOM 0 HG3 PRO B 127 -7.113 14.564 5.031 1.00 32.23 H new ATOM 0 HD2 PRO B 127 -9.263 15.839 3.906 1.00 50.13 H new ATOM 0 HD3 PRO B 127 -8.412 14.534 3.103 1.00 50.13 H new ATOM 1855 N CYS C 209 1.303 -16.241 5.785 1.00 71.54 N ATOM 1856 CA CYS C 209 1.893 -14.937 5.640 1.00 22.33 C ATOM 1857 C CYS C 209 2.615 -14.938 4.300 1.00 51.01 C ATOM 1858 O CYS C 209 3.327 -15.906 4.001 1.00 32.23 O ATOM 1859 CB CYS C 209 2.923 -14.695 6.763 1.00 41.32 C ATOM 1860 SG CYS C 209 2.331 -14.980 8.484 1.00 74.12 S ATOM 0 HA CYS C 209 1.133 -14.158 5.694 1.00 22.33 H new ATOM 0 HB2 CYS C 209 3.782 -15.341 6.585 1.00 41.32 H new ATOM 0 HB3 CYS C 209 3.276 -13.667 6.688 1.00 41.32 H new ATOM 1865 N PRO C 210 2.428 -13.901 3.457 1.00 51.53 N ATOM 1866 CA PRO C 210 3.101 -13.817 2.148 1.00 51.24 C ATOM 1867 C PRO C 210 4.623 -13.898 2.266 1.00 55.12 C ATOM 1868 O PRO C 210 5.249 -14.818 1.770 1.00 52.44 O ATOM 1869 CB PRO C 210 2.673 -12.441 1.619 1.00 22.33 C ATOM 1870 CG PRO C 210 1.371 -12.189 2.285 1.00 44.43 C ATOM 1871 CD PRO C 210 1.514 -12.757 3.669 1.00 14.43 C ATOM 0 HA PRO C 210 2.827 -14.645 1.495 1.00 51.24 H new ATOM 0 HB2 PRO C 210 3.404 -11.672 1.869 1.00 22.33 H new ATOM 0 HB3 PRO C 210 2.572 -12.444 0.534 1.00 22.33 H new ATOM 0 HG2 PRO C 210 1.147 -11.123 2.319 1.00 44.43 H new ATOM 0 HG3 PRO C 210 0.554 -12.669 1.746 1.00 44.43 H new ATOM 0 HD2 PRO C 210 1.931 -12.029 4.365 1.00 14.43 H new ATOM 0 HD3 PRO C 210 0.555 -13.075 4.077 1.00 14.43 H new ATOM 1879 N CYS C 211 5.197 -12.965 2.942 1.00 23.30 N ATOM 1880 CA CYS C 211 6.612 -12.934 3.094 1.00 72.51 C ATOM 1881 C CYS C 211 6.993 -13.523 4.423 1.00 51.21 C ATOM 1882 O CYS C 211 6.619 -13.003 5.466 1.00 52.22 O ATOM 1883 CB CYS C 211 7.111 -11.510 2.965 1.00 15.30 C ATOM 1884 SG CYS C 211 6.677 -10.751 1.374 1.00 10.31 S ATOM 0 H CYS C 211 4.702 -12.203 3.405 1.00 23.30 H new ATOM 0 HA CYS C 211 7.078 -13.531 2.310 1.00 72.51 H new ATOM 0 HB2 CYS C 211 6.694 -10.910 3.774 1.00 15.30 H new ATOM 0 HB3 CYS C 211 8.194 -11.498 3.084 1.00 15.30 H new ATOM 1889 N ARG C 212 7.720 -14.619 4.388 1.00 5.40 N ATOM 1890 CA ARG C 212 8.147 -15.275 5.609 1.00 24.22 C ATOM 1891 C ARG C 212 9.320 -14.492 6.203 1.00 23.12 C ATOM 1892 O ARG C 212 9.561 -14.511 7.412 1.00 55.04 O ATOM 1893 CB ARG C 212 8.579 -16.700 5.297 1.00 51.42 C ATOM 1894 CG ARG C 212 8.783 -17.571 6.515 1.00 35.12 C ATOM 1895 CD ARG C 212 9.322 -18.933 6.136 1.00 35.32 C ATOM 1896 NE ARG C 212 8.510 -19.618 5.113 1.00 11.34 N ATOM 1897 CZ ARG C 212 8.462 -20.943 4.948 1.00 23.23 C ATOM 1898 NH1 ARG C 212 9.015 -21.754 5.852 1.00 60.55 N ATOM 1899 NH2 ARG C 212 7.846 -21.456 3.891 1.00 11.21 N ATOM 0 H ARG C 212 8.028 -15.075 3.530 1.00 5.40 H new ATOM 0 HA ARG C 212 7.326 -15.305 6.325 1.00 24.22 H new ATOM 0 HB2 ARG C 212 7.828 -17.162 4.656 1.00 51.42 H new ATOM 0 HB3 ARG C 212 9.508 -16.669 4.728 1.00 51.42 H new ATOM 0 HG2 ARG C 212 9.474 -17.083 7.202 1.00 35.12 H new ATOM 0 HG3 ARG C 212 7.837 -17.687 7.044 1.00 35.12 H new ATOM 0 HD2 ARG C 212 10.342 -18.823 5.767 1.00 35.32 H new ATOM 0 HD3 ARG C 212 9.372 -19.557 7.028 1.00 35.32 H new ATOM 0 HE ARG C 212 7.947 -19.041 4.489 1.00 11.34 H new ATOM 0 HH11 ARG C 212 9.477 -21.363 6.673 1.00 60.55 H new ATOM 0 HH12 ARG C 212 8.976 -22.765 5.722 1.00 60.55 H new ATOM 0 HH21 ARG C 212 7.410 -20.839 3.206 1.00 11.21 H new ATOM 0 HH22 ARG C 212 7.809 -22.467 3.764 1.00 11.21 H new ATOM 1913 N PHE C 213 10.029 -13.801 5.324 1.00 51.44 N ATOM 1914 CA PHE C 213 11.137 -12.942 5.685 1.00 3.11 C ATOM 1915 C PHE C 213 10.930 -11.617 4.963 1.00 11.22 C ATOM 1916 O PHE C 213 10.406 -11.606 3.840 1.00 35.54 O ATOM 1917 CB PHE C 213 12.479 -13.567 5.259 1.00 21.10 C ATOM 1918 CG PHE C 213 12.775 -14.909 5.871 1.00 55.35 C ATOM 1919 CD1 PHE C 213 13.269 -15.002 7.160 1.00 64.31 C ATOM 1920 CD2 PHE C 213 12.569 -16.076 5.149 1.00 33.24 C ATOM 1921 CE1 PHE C 213 13.551 -16.232 7.721 1.00 70.20 C ATOM 1922 CE2 PHE C 213 12.849 -17.309 5.703 1.00 2.43 C ATOM 1923 CZ PHE C 213 13.341 -17.387 6.992 1.00 10.32 C ATOM 0 H PHE C 213 9.844 -13.825 4.321 1.00 51.44 H new ATOM 0 HA PHE C 213 11.170 -12.802 6.766 1.00 3.11 H new ATOM 0 HB2 PHE C 213 12.488 -13.669 4.174 1.00 21.10 H new ATOM 0 HB3 PHE C 213 13.283 -12.879 5.521 1.00 21.10 H new ATOM 0 HD1 PHE C 213 13.436 -14.103 7.734 1.00 64.31 H new ATOM 0 HD2 PHE C 213 12.185 -16.019 4.141 1.00 33.24 H new ATOM 0 HE1 PHE C 213 13.935 -16.291 8.729 1.00 70.20 H new ATOM 0 HE2 PHE C 213 12.684 -18.210 5.131 1.00 2.43 H new ATOM 0 HZ PHE C 213 13.561 -18.350 7.429 1.00 10.32 H new ATOM 1933 N PHE C 214 11.303 -10.527 5.585 1.00 1.32 N ATOM 1934 CA PHE C 214 11.065 -9.200 5.025 1.00 4.44 C ATOM 1935 C PHE C 214 12.294 -8.293 5.122 1.00 32.14 C ATOM 1936 O PHE C 214 13.070 -8.406 6.046 1.00 52.02 O ATOM 1937 CB PHE C 214 9.856 -8.544 5.733 1.00 62.43 C ATOM 1938 CG PHE C 214 9.984 -8.497 7.244 1.00 44.23 C ATOM 1939 CD1 PHE C 214 10.667 -7.465 7.875 1.00 14.34 C ATOM 1940 CD2 PHE C 214 9.427 -9.499 8.029 1.00 0.25 C ATOM 1941 CE1 PHE C 214 10.790 -7.435 9.251 1.00 40.22 C ATOM 1942 CE2 PHE C 214 9.546 -9.472 9.405 1.00 45.32 C ATOM 1943 CZ PHE C 214 10.230 -8.438 10.017 1.00 63.11 C ATOM 0 H PHE C 214 11.778 -10.523 6.488 1.00 1.32 H new ATOM 0 HA PHE C 214 10.849 -9.326 3.964 1.00 4.44 H new ATOM 0 HB2 PHE C 214 9.733 -7.529 5.356 1.00 62.43 H new ATOM 0 HB3 PHE C 214 8.951 -9.093 5.471 1.00 62.43 H new ATOM 0 HD1 PHE C 214 11.107 -6.676 7.283 1.00 14.34 H new ATOM 0 HD2 PHE C 214 8.893 -10.311 7.557 1.00 0.25 H new ATOM 0 HE1 PHE C 214 11.324 -6.627 9.728 1.00 40.22 H new ATOM 0 HE2 PHE C 214 9.106 -10.257 10.002 1.00 45.32 H new ATOM 0 HZ PHE C 214 10.326 -8.415 11.092 1.00 63.11 H new ATOM 1953 N GLU C 215 12.439 -7.415 4.159 1.00 61.11 N ATOM 1954 CA GLU C 215 13.483 -6.396 4.124 1.00 21.22 C ATOM 1955 C GLU C 215 13.222 -5.319 5.186 1.00 5.01 C ATOM 1956 O GLU C 215 12.071 -5.078 5.591 1.00 1.23 O ATOM 1957 CB GLU C 215 13.512 -5.703 2.740 1.00 73.31 C ATOM 1958 CG GLU C 215 14.124 -6.480 1.571 1.00 40.42 C ATOM 1959 CD GLU C 215 13.569 -7.872 1.317 1.00 35.14 C ATOM 1960 OE1 GLU C 215 12.350 -8.073 1.321 1.00 74.40 O ATOM 1961 OE2 GLU C 215 14.372 -8.785 1.120 1.00 50.31 O ATOM 0 H GLU C 215 11.819 -7.381 3.349 1.00 61.11 H new ATOM 0 HA GLU C 215 14.434 -6.891 4.319 1.00 21.22 H new ATOM 0 HB2 GLU C 215 12.488 -5.445 2.472 1.00 73.31 H new ATOM 0 HB3 GLU C 215 14.060 -4.767 2.845 1.00 73.31 H new ATOM 0 HG2 GLU C 215 13.994 -5.890 0.664 1.00 40.42 H new ATOM 0 HG3 GLU C 215 15.197 -6.567 1.743 1.00 40.42 H new ATOM 1968 N SER C 216 14.280 -4.677 5.654 1.00 30.41 N ATOM 1969 CA SER C 216 14.117 -3.589 6.610 1.00 44.41 C ATOM 1970 C SER C 216 15.101 -2.418 6.348 1.00 51.32 C ATOM 1971 O SER C 216 14.996 -1.361 6.955 1.00 3.30 O ATOM 1972 CB SER C 216 14.210 -4.088 8.044 1.00 62.42 C ATOM 1973 OG SER C 216 13.263 -5.113 8.293 1.00 71.34 O ATOM 0 H SER C 216 15.245 -4.883 5.395 1.00 30.41 H new ATOM 0 HA SER C 216 13.113 -3.191 6.463 1.00 44.41 H new ATOM 0 HB2 SER C 216 15.215 -4.463 8.237 1.00 62.42 H new ATOM 0 HB3 SER C 216 14.042 -3.259 8.732 1.00 62.42 H new ATOM 0 HG SER C 216 12.567 -4.776 8.895 1.00 71.34 H new ATOM 1979 N HIS C 217 16.054 -2.626 5.467 1.00 41.31 N ATOM 1980 CA HIS C 217 16.965 -1.570 5.021 1.00 23.41 C ATOM 1981 C HIS C 217 17.019 -1.527 3.523 1.00 74.22 C ATOM 1982 O HIS C 217 17.922 -2.073 2.908 1.00 34.43 O ATOM 1983 CB HIS C 217 18.391 -1.669 5.601 1.00 14.23 C ATOM 1984 CG HIS C 217 18.584 -1.106 6.978 1.00 44.40 C ATOM 1985 ND1 HIS C 217 19.466 -0.087 7.242 1.00 30.32 N ATOM 1986 CD2 HIS C 217 18.050 -1.445 8.171 1.00 43.13 C ATOM 1987 CE1 HIS C 217 19.468 0.174 8.526 1.00 62.44 C ATOM 1988 NE2 HIS C 217 18.620 -0.634 9.117 1.00 4.31 N ATOM 0 H HIS C 217 16.228 -3.532 5.032 1.00 41.31 H new ATOM 0 HA HIS C 217 16.550 -0.641 5.412 1.00 23.41 H new ATOM 0 HB2 HIS C 217 18.683 -2.719 5.616 1.00 14.23 H new ATOM 0 HB3 HIS C 217 19.074 -1.157 4.922 1.00 14.23 H new ATOM 0 HD1 HIS C 217 20.034 0.394 6.544 1.00 30.32 H new ATOM 0 HD2 HIS C 217 17.311 -2.213 8.347 1.00 43.13 H new ATOM 0 HE1 HIS C 217 20.067 0.928 9.016 1.00 62.44 H new ATOM 1997 N VAL C 218 16.032 -0.926 2.953 1.00 0.53 N ATOM 1998 CA VAL C 218 15.898 -0.814 1.525 1.00 13.13 C ATOM 1999 C VAL C 218 15.537 0.643 1.224 1.00 63.42 C ATOM 2000 O VAL C 218 15.112 1.359 2.142 1.00 11.11 O ATOM 2001 CB VAL C 218 14.809 -1.822 0.996 1.00 1.04 C ATOM 2002 CG1 VAL C 218 13.437 -1.539 1.575 1.00 74.53 C ATOM 2003 CG2 VAL C 218 14.771 -1.896 -0.526 1.00 45.54 C ATOM 0 H VAL C 218 15.272 -0.485 3.472 1.00 0.53 H new ATOM 0 HA VAL C 218 16.825 -1.074 1.014 1.00 13.13 H new ATOM 0 HB VAL C 218 15.111 -2.807 1.351 1.00 1.04 H new ATOM 0 HG11 VAL C 218 12.720 -2.259 1.181 1.00 74.53 H new ATOM 0 HG12 VAL C 218 13.476 -1.623 2.661 1.00 74.53 H new ATOM 0 HG13 VAL C 218 13.127 -0.531 1.300 1.00 74.53 H new ATOM 0 HG21 VAL C 218 14.003 -2.605 -0.837 1.00 45.54 H new ATOM 0 HG22 VAL C 218 14.541 -0.911 -0.933 1.00 45.54 H new ATOM 0 HG23 VAL C 218 15.741 -2.225 -0.899 1.00 45.54 H new ATOM 2013 N ALA C 219 15.712 1.095 0.004 1.00 52.32 N ATOM 2014 CA ALA C 219 15.486 2.484 -0.302 1.00 24.54 C ATOM 2015 C ALA C 219 14.159 2.674 -0.985 1.00 63.44 C ATOM 2016 O ALA C 219 13.809 1.924 -1.892 1.00 1.45 O ATOM 2017 CB ALA C 219 16.616 3.020 -1.169 1.00 2.43 C ATOM 0 H ALA C 219 16.008 0.523 -0.787 1.00 52.32 H new ATOM 0 HA ALA C 219 15.466 3.044 0.633 1.00 24.54 H new ATOM 0 HB1 ALA C 219 16.435 4.071 -1.394 1.00 2.43 H new ATOM 0 HB2 ALA C 219 17.562 2.921 -0.636 1.00 2.43 H new ATOM 0 HB3 ALA C 219 16.662 2.452 -2.098 1.00 2.43 H new ATOM 2023 N ARG C 220 13.411 3.677 -0.560 1.00 51.34 N ATOM 2024 CA ARG C 220 12.139 3.968 -1.185 1.00 54.42 C ATOM 2025 C ARG C 220 12.294 4.510 -2.604 1.00 2.34 C ATOM 2026 O ARG C 220 11.354 4.544 -3.363 1.00 65.13 O ATOM 2027 CB ARG C 220 11.180 4.796 -0.294 1.00 54.03 C ATOM 2028 CG ARG C 220 11.669 6.136 0.244 1.00 45.21 C ATOM 2029 CD ARG C 220 11.840 7.163 -0.833 1.00 41.24 C ATOM 2030 NE ARG C 220 12.204 8.470 -0.296 1.00 32.41 N ATOM 2031 CZ ARG C 220 12.688 9.478 -1.020 1.00 10.23 C ATOM 2032 NH1 ARG C 220 13.051 9.282 -2.282 1.00 24.22 N ATOM 2033 NH2 ARG C 220 12.847 10.661 -0.467 1.00 42.13 N ATOM 0 H ARG C 220 13.662 4.298 0.209 1.00 51.34 H new ATOM 0 HA ARG C 220 11.635 3.008 -1.294 1.00 54.42 H new ATOM 0 HB2 ARG C 220 10.270 4.979 -0.866 1.00 54.03 H new ATOM 0 HB3 ARG C 220 10.901 4.177 0.559 1.00 54.03 H new ATOM 0 HG2 ARG C 220 10.960 6.506 0.984 1.00 45.21 H new ATOM 0 HG3 ARG C 220 12.620 5.992 0.757 1.00 45.21 H new ATOM 0 HD2 ARG C 220 12.610 6.831 -1.530 1.00 41.24 H new ATOM 0 HD3 ARG C 220 10.913 7.250 -1.400 1.00 41.24 H new ATOM 0 HE ARG C 220 12.079 8.623 0.705 1.00 32.41 H new ATOM 0 HH11 ARG C 220 12.960 8.357 -2.701 1.00 24.22 H new ATOM 0 HH12 ARG C 220 13.421 10.057 -2.832 1.00 24.22 H new ATOM 0 HH21 ARG C 220 12.600 10.804 0.512 1.00 42.13 H new ATOM 0 HH22 ARG C 220 13.217 11.436 -1.018 1.00 42.13 H new ATOM 2047 N ALA C 221 13.496 4.946 -2.929 1.00 31.44 N ATOM 2048 CA ALA C 221 13.826 5.389 -4.275 1.00 34.41 C ATOM 2049 C ALA C 221 14.147 4.177 -5.158 1.00 53.12 C ATOM 2050 O ALA C 221 14.299 4.293 -6.369 1.00 51.20 O ATOM 2051 CB ALA C 221 14.998 6.360 -4.245 1.00 21.31 C ATOM 0 H ALA C 221 14.272 5.004 -2.270 1.00 31.44 H new ATOM 0 HA ALA C 221 12.967 5.911 -4.696 1.00 34.41 H new ATOM 0 HB1 ALA C 221 15.231 6.681 -5.260 1.00 21.31 H new ATOM 0 HB2 ALA C 221 14.735 7.229 -3.641 1.00 21.31 H new ATOM 0 HB3 ALA C 221 15.868 5.867 -3.812 1.00 21.31 H new ATOM 2057 N ASN C 222 14.279 3.023 -4.522 1.00 21.20 N ATOM 2058 CA ASN C 222 14.598 1.764 -5.205 1.00 55.14 C ATOM 2059 C ASN C 222 13.315 0.952 -5.432 1.00 21.43 C ATOM 2060 O ASN C 222 13.275 0.073 -6.275 1.00 62.42 O ATOM 2061 CB ASN C 222 15.621 0.963 -4.349 1.00 4.24 C ATOM 2062 CG ASN C 222 16.104 -0.368 -4.947 1.00 73.11 C ATOM 2063 OD1 ASN C 222 16.394 -1.319 -4.213 1.00 60.33 O ATOM 2064 ND2 ASN C 222 16.245 -0.433 -6.240 1.00 24.02 N ATOM 0 H ASN C 222 14.169 2.926 -3.513 1.00 21.20 H new ATOM 0 HA ASN C 222 15.042 1.972 -6.179 1.00 55.14 H new ATOM 0 HB2 ASN C 222 16.491 1.596 -4.172 1.00 4.24 H new ATOM 0 HB3 ASN C 222 15.171 0.760 -3.377 1.00 4.24 H new ATOM 0 HD21 ASN C 222 16.603 -1.285 -6.672 1.00 24.02 H new ATOM 0 HD22 ASN C 222 15.997 0.368 -6.821 1.00 24.02 H new ATOM 2071 N VAL C 223 12.265 1.277 -4.709 1.00 3.40 N ATOM 2072 CA VAL C 223 11.001 0.559 -4.853 1.00 50.43 C ATOM 2073 C VAL C 223 10.068 1.297 -5.820 1.00 15.12 C ATOM 2074 O VAL C 223 10.115 2.512 -5.910 1.00 42.42 O ATOM 2075 CB VAL C 223 10.272 0.364 -3.484 1.00 35.51 C ATOM 2076 CG1 VAL C 223 11.132 -0.412 -2.501 1.00 32.22 C ATOM 2077 CG2 VAL C 223 9.865 1.693 -2.880 1.00 51.23 C ATOM 0 H VAL C 223 12.253 2.027 -4.018 1.00 3.40 H new ATOM 0 HA VAL C 223 11.244 -0.426 -5.252 1.00 50.43 H new ATOM 0 HB VAL C 223 9.371 -0.215 -3.684 1.00 35.51 H new ATOM 0 HG11 VAL C 223 10.594 -0.529 -1.560 1.00 32.22 H new ATOM 0 HG12 VAL C 223 11.359 -1.395 -2.914 1.00 32.22 H new ATOM 0 HG13 VAL C 223 12.061 0.130 -2.323 1.00 32.22 H new ATOM 0 HG21 VAL C 223 9.361 1.521 -1.929 1.00 51.23 H new ATOM 0 HG22 VAL C 223 10.752 2.305 -2.715 1.00 51.23 H new ATOM 0 HG23 VAL C 223 9.189 2.210 -3.561 1.00 51.23 H new ATOM 2087 N LYS C 224 9.277 0.549 -6.589 1.00 42.25 N ATOM 2088 CA LYS C 224 8.236 1.158 -7.412 1.00 51.12 C ATOM 2089 C LYS C 224 7.026 1.489 -6.567 1.00 32.33 C ATOM 2090 O LYS C 224 6.679 2.636 -6.383 1.00 42.53 O ATOM 2091 CB LYS C 224 7.783 0.257 -8.586 1.00 3.04 C ATOM 2092 CG LYS C 224 8.819 0.042 -9.660 1.00 22.51 C ATOM 2093 CD LYS C 224 8.246 -0.670 -10.886 1.00 1.32 C ATOM 2094 CE LYS C 224 7.922 -2.141 -10.667 1.00 61.42 C ATOM 2095 NZ LYS C 224 9.129 -2.996 -10.667 1.00 70.34 N ATOM 0 H LYS C 224 9.336 -0.467 -6.658 1.00 42.25 H new ATOM 0 HA LYS C 224 8.676 2.062 -7.833 1.00 51.12 H new ATOM 0 HB2 LYS C 224 7.488 -0.714 -8.187 1.00 3.04 H new ATOM 0 HB3 LYS C 224 6.896 0.697 -9.041 1.00 3.04 H new ATOM 0 HG2 LYS C 224 9.231 1.005 -9.962 1.00 22.51 H new ATOM 0 HG3 LYS C 224 9.643 -0.545 -9.254 1.00 22.51 H new ATOM 0 HD2 LYS C 224 7.339 -0.154 -11.199 1.00 1.32 H new ATOM 0 HD3 LYS C 224 8.960 -0.586 -11.706 1.00 1.32 H new ATOM 0 HE2 LYS C 224 7.400 -2.257 -9.717 1.00 61.42 H new ATOM 0 HE3 LYS C 224 7.242 -2.480 -11.448 1.00 61.42 H new ATOM 0 HZ1 LYS C 224 8.848 -3.994 -10.582 1.00 70.34 H new ATOM 0 HZ2 LYS C 224 9.652 -2.858 -11.555 1.00 70.34 H new ATOM 0 HZ3 LYS C 224 9.737 -2.738 -9.864 1.00 70.34 H new ATOM 2109 N HIS C 225 6.391 0.476 -6.047 1.00 41.14 N ATOM 2110 CA HIS C 225 5.184 0.695 -5.276 1.00 53.20 C ATOM 2111 C HIS C 225 5.166 -0.204 -4.087 1.00 20.34 C ATOM 2112 O HIS C 225 5.950 -1.142 -4.014 1.00 41.01 O ATOM 2113 CB HIS C 225 3.909 0.437 -6.127 1.00 3.53 C ATOM 2114 CG HIS C 225 3.629 -1.017 -6.510 1.00 1.14 C ATOM 2115 ND1 HIS C 225 3.379 -2.119 -5.738 1.00 14.20 N flip ATOM 2116 CD2 HIS C 225 3.497 -1.447 -7.806 1.00 52.32 C flip ATOM 2117 CE1 HIS C 225 3.105 -3.152 -6.576 1.00 12.24 C flip ATOM 2118 NE2 HIS C 225 3.176 -2.728 -7.805 1.00 62.01 N flip ATOM 0 H HIS C 225 6.678 -0.499 -6.137 1.00 41.14 H new ATOM 0 HA HIS C 225 5.183 1.737 -4.957 1.00 53.20 H new ATOM 0 HB2 HIS C 225 3.048 0.817 -5.577 1.00 3.53 H new ATOM 0 HB3 HIS C 225 3.985 1.023 -7.043 1.00 3.53 H new ATOM 0 HD2 HIS C 225 3.634 -0.836 -8.686 1.00 52.32 H new ATOM 0 HE1 HIS C 225 2.867 -4.161 -6.272 1.00 12.24 H new ATOM 0 HE2 HIS C 225 3.010 -3.296 -8.636 1.00 62.01 H new ATOM 2127 N LEU C 226 4.219 0.025 -3.218 1.00 13.22 N ATOM 2128 CA LEU C 226 4.033 -0.784 -2.043 1.00 2.10 C ATOM 2129 C LEU C 226 2.688 -1.454 -2.146 1.00 73.43 C ATOM 2130 O LEU C 226 1.703 -0.812 -2.449 1.00 64.31 O ATOM 2131 CB LEU C 226 4.059 0.064 -0.754 1.00 13.20 C ATOM 2132 CG LEU C 226 5.378 0.751 -0.338 1.00 10.44 C ATOM 2133 CD1 LEU C 226 5.828 1.806 -1.340 1.00 1.34 C ATOM 2134 CD2 LEU C 226 5.208 1.365 1.030 1.00 3.24 C ATOM 0 H LEU C 226 3.547 0.787 -3.307 1.00 13.22 H new ATOM 0 HA LEU C 226 4.845 -1.509 -1.989 1.00 2.10 H new ATOM 0 HB2 LEU C 226 3.301 0.841 -0.855 1.00 13.20 H new ATOM 0 HB3 LEU C 226 3.749 -0.579 0.070 1.00 13.20 H new ATOM 0 HG LEU C 226 6.158 -0.010 -0.314 1.00 10.44 H new ATOM 0 HD11 LEU C 226 6.760 2.258 -0.999 1.00 1.34 H new ATOM 0 HD12 LEU C 226 5.985 1.340 -2.313 1.00 1.34 H new ATOM 0 HD13 LEU C 226 5.062 2.576 -1.426 1.00 1.34 H new ATOM 0 HD21 LEU C 226 6.137 1.851 1.328 1.00 3.24 H new ATOM 0 HD22 LEU C 226 4.405 2.102 1.001 1.00 3.24 H new ATOM 0 HD23 LEU C 226 4.959 0.586 1.750 1.00 3.24 H new ATOM 2146 N LYS C 227 2.648 -2.722 -1.940 1.00 25.44 N ATOM 2147 CA LYS C 227 1.407 -3.442 -1.989 1.00 3.13 C ATOM 2148 C LYS C 227 1.205 -4.177 -0.678 1.00 13.22 C ATOM 2149 O LYS C 227 2.009 -5.006 -0.296 1.00 60.55 O ATOM 2150 CB LYS C 227 1.338 -4.381 -3.225 1.00 12.13 C ATOM 2151 CG LYS C 227 0.003 -5.096 -3.368 1.00 53.12 C ATOM 2152 CD LYS C 227 -0.153 -5.881 -4.682 1.00 72.15 C ATOM 2153 CE LYS C 227 0.898 -6.955 -4.875 1.00 3.53 C ATOM 2154 NZ LYS C 227 0.598 -7.803 -6.055 1.00 10.34 N ATOM 0 H LYS C 227 3.465 -3.296 -1.733 1.00 25.44 H new ATOM 0 HA LYS C 227 0.584 -2.738 -2.113 1.00 3.13 H new ATOM 0 HB2 LYS C 227 1.527 -3.798 -4.126 1.00 12.13 H new ATOM 0 HB3 LYS C 227 2.133 -5.123 -3.153 1.00 12.13 H new ATOM 0 HG2 LYS C 227 -0.120 -5.783 -2.531 1.00 53.12 H new ATOM 0 HG3 LYS C 227 -0.799 -4.361 -3.299 1.00 53.12 H new ATOM 0 HD2 LYS C 227 -1.140 -6.342 -4.705 1.00 72.15 H new ATOM 0 HD3 LYS C 227 -0.107 -5.185 -5.519 1.00 72.15 H new ATOM 0 HE2 LYS C 227 1.876 -6.490 -4.999 1.00 3.53 H new ATOM 0 HE3 LYS C 227 0.952 -7.578 -3.982 1.00 3.53 H new ATOM 0 HZ1 LYS C 227 1.337 -8.528 -6.158 1.00 10.34 H new ATOM 0 HZ2 LYS C 227 -0.325 -8.265 -5.925 1.00 10.34 H new ATOM 0 HZ3 LYS C 227 0.571 -7.211 -6.910 1.00 10.34 H new ATOM 2168 N ILE C 228 0.136 -3.858 -0.010 1.00 72.45 N ATOM 2169 CA ILE C 228 -0.137 -4.349 1.312 1.00 11.04 C ATOM 2170 C ILE C 228 -1.177 -5.463 1.254 1.00 1.23 C ATOM 2171 O ILE C 228 -2.315 -5.248 0.799 1.00 52.30 O ATOM 2172 CB ILE C 228 -0.692 -3.188 2.212 1.00 71.20 C ATOM 2173 CG1 ILE C 228 0.275 -1.996 2.211 1.00 50.53 C ATOM 2174 CG2 ILE C 228 -0.940 -3.661 3.646 1.00 44.05 C ATOM 2175 CD1 ILE C 228 -0.193 -0.809 3.029 1.00 44.15 C ATOM 0 H ILE C 228 -0.586 -3.237 -0.375 1.00 72.45 H new ATOM 0 HA ILE C 228 0.791 -4.734 1.735 1.00 11.04 H new ATOM 0 HB ILE C 228 -1.646 -2.872 1.790 1.00 71.20 H new ATOM 0 HG12 ILE C 228 1.241 -2.327 2.593 1.00 50.53 H new ATOM 0 HG13 ILE C 228 0.433 -1.673 1.182 1.00 50.53 H new ATOM 0 HG21 ILE C 228 -1.324 -2.832 4.241 1.00 44.05 H new ATOM 0 HG22 ILE C 228 -1.668 -4.472 3.641 1.00 44.05 H new ATOM 0 HG23 ILE C 228 -0.005 -4.016 4.079 1.00 44.05 H new ATOM 0 HD11 ILE C 228 0.550 -0.013 2.973 1.00 44.15 H new ATOM 0 HD12 ILE C 228 -1.143 -0.448 2.635 1.00 44.15 H new ATOM 0 HD13 ILE C 228 -0.323 -1.112 4.068 1.00 44.15 H new ATOM 2187 N LEU C 229 -0.772 -6.646 1.676 1.00 11.51 N ATOM 2188 CA LEU C 229 -1.661 -7.792 1.795 1.00 44.01 C ATOM 2189 C LEU C 229 -1.602 -8.289 3.214 1.00 74.42 C ATOM 2190 O LEU C 229 -0.789 -9.137 3.552 1.00 61.41 O ATOM 2191 CB LEU C 229 -1.346 -8.971 0.831 1.00 54.01 C ATOM 2192 CG LEU C 229 -1.485 -8.741 -0.681 1.00 21.12 C ATOM 2193 CD1 LEU C 229 -0.396 -7.850 -1.229 1.00 21.02 C ATOM 2194 CD2 LEU C 229 -1.523 -10.058 -1.418 1.00 10.22 C ATOM 0 H LEU C 229 0.191 -6.843 1.949 1.00 11.51 H new ATOM 0 HA LEU C 229 -2.654 -7.442 1.514 1.00 44.01 H new ATOM 0 HB2 LEU C 229 -0.323 -9.292 1.024 1.00 54.01 H new ATOM 0 HB3 LEU C 229 -1.997 -9.802 1.101 1.00 54.01 H new ATOM 0 HG LEU C 229 -2.430 -8.222 -0.841 1.00 21.12 H new ATOM 0 HD11 LEU C 229 -0.539 -7.718 -2.302 1.00 21.02 H new ATOM 0 HD12 LEU C 229 -0.438 -6.879 -0.735 1.00 21.02 H new ATOM 0 HD13 LEU C 229 0.576 -8.309 -1.046 1.00 21.02 H new ATOM 0 HD21 LEU C 229 -1.622 -9.874 -2.488 1.00 10.22 H new ATOM 0 HD22 LEU C 229 -0.601 -10.608 -1.228 1.00 10.22 H new ATOM 0 HD23 LEU C 229 -2.373 -10.645 -1.071 1.00 10.22 H new ATOM 2206 N ASN C 230 -2.424 -7.731 4.037 1.00 50.33 N ATOM 2207 CA ASN C 230 -2.406 -8.039 5.454 1.00 25.01 C ATOM 2208 C ASN C 230 -3.220 -9.275 5.744 1.00 32.33 C ATOM 2209 O ASN C 230 -4.435 -9.297 5.501 1.00 21.01 O ATOM 2210 CB ASN C 230 -2.946 -6.861 6.243 1.00 23.43 C ATOM 2211 CG ASN C 230 -2.913 -7.073 7.736 1.00 21.13 C ATOM 2212 OD1 ASN C 230 -2.052 -7.757 8.256 1.00 61.34 O ATOM 2213 ND2 ASN C 230 -3.847 -6.474 8.435 1.00 42.51 N ATOM 0 H ASN C 230 -3.131 -7.049 3.762 1.00 50.33 H new ATOM 0 HA ASN C 230 -1.376 -8.231 5.754 1.00 25.01 H new ATOM 0 HB2 ASN C 230 -2.365 -5.972 5.997 1.00 23.43 H new ATOM 0 HB3 ASN C 230 -3.973 -6.667 5.934 1.00 23.43 H new ATOM 0 HD21 ASN C 230 -3.868 -6.574 9.450 1.00 42.51 H new ATOM 0 HD22 ASN C 230 -4.553 -5.908 7.964 1.00 42.51 H new ATOM 2220 N THR C 231 -2.565 -10.286 6.239 1.00 41.34 N ATOM 2221 CA THR C 231 -3.177 -11.542 6.546 1.00 21.15 C ATOM 2222 C THR C 231 -3.529 -11.639 8.069 1.00 54.23 C ATOM 2223 O THR C 231 -2.944 -10.935 8.886 1.00 75.32 O ATOM 2224 CB THR C 231 -2.261 -12.686 6.048 1.00 43.01 C ATOM 2225 OG1 THR C 231 -0.946 -12.485 6.536 1.00 22.10 O ATOM 2226 CG2 THR C 231 -2.210 -12.691 4.530 1.00 42.43 C ATOM 0 H THR C 231 -1.566 -10.256 6.444 1.00 41.34 H new ATOM 0 HA THR C 231 -4.129 -11.634 6.024 1.00 21.15 H new ATOM 0 HB THR C 231 -2.661 -13.634 6.408 1.00 43.01 H new ATOM 0 HG1 THR C 231 -0.632 -13.303 6.975 1.00 22.10 H new ATOM 0 HG21 THR C 231 -1.563 -13.500 4.190 1.00 42.43 H new ATOM 0 HG22 THR C 231 -3.214 -12.839 4.133 1.00 42.43 H new ATOM 0 HG23 THR C 231 -1.816 -11.738 4.176 1.00 42.43 H new ATOM 2234 N PRO C 232 -4.492 -12.530 8.462 1.00 44.32 N ATOM 2235 CA PRO C 232 -5.069 -12.544 9.828 1.00 52.25 C ATOM 2236 C PRO C 232 -4.088 -12.799 10.990 1.00 11.32 C ATOM 2237 O PRO C 232 -4.095 -12.063 11.977 1.00 45.24 O ATOM 2238 CB PRO C 232 -6.127 -13.654 9.771 1.00 21.41 C ATOM 2239 CG PRO C 232 -5.734 -14.503 8.616 1.00 53.40 C ATOM 2240 CD PRO C 232 -5.079 -13.590 7.621 1.00 54.03 C ATOM 0 HA PRO C 232 -5.449 -11.549 10.060 1.00 52.25 H new ATOM 0 HB2 PRO C 232 -6.144 -14.230 10.696 1.00 21.41 H new ATOM 0 HB3 PRO C 232 -7.126 -13.240 9.634 1.00 21.41 H new ATOM 0 HG2 PRO C 232 -5.049 -15.291 8.929 1.00 53.40 H new ATOM 0 HG3 PRO C 232 -6.605 -14.992 8.180 1.00 53.40 H new ATOM 0 HD2 PRO C 232 -4.317 -14.110 7.040 1.00 54.03 H new ATOM 0 HD3 PRO C 232 -5.801 -13.186 6.911 1.00 54.03 H new ATOM 2248 N ASN C 233 -3.265 -13.825 10.884 1.00 62.13 N ATOM 2249 CA ASN C 233 -2.382 -14.213 12.003 1.00 51.31 C ATOM 2250 C ASN C 233 -0.958 -13.723 11.726 1.00 62.43 C ATOM 2251 O ASN C 233 0.026 -14.200 12.290 1.00 51.40 O ATOM 2252 CB ASN C 233 -2.443 -15.754 12.185 1.00 24.54 C ATOM 2253 CG ASN C 233 -1.787 -16.281 13.474 1.00 33.33 C ATOM 2254 OD1 ASN C 233 -2.433 -16.366 14.511 1.00 41.33 O ATOM 2255 ND2 ASN C 233 -0.551 -16.685 13.402 1.00 63.14 N ATOM 0 H ASN C 233 -3.179 -14.408 10.051 1.00 62.13 H new ATOM 0 HA ASN C 233 -2.714 -13.749 12.932 1.00 51.31 H new ATOM 0 HB2 ASN C 233 -3.487 -16.066 12.173 1.00 24.54 H new ATOM 0 HB3 ASN C 233 -1.959 -16.226 11.330 1.00 24.54 H new ATOM 0 HD21 ASN C 233 -0.096 -17.085 14.223 1.00 63.14 H new ATOM 0 HD22 ASN C 233 -0.038 -16.602 12.525 1.00 63.14 H new ATOM 2262 N CYS C 234 -0.864 -12.742 10.889 1.00 54.10 N ATOM 2263 CA CYS C 234 0.399 -12.177 10.517 1.00 41.21 C ATOM 2264 C CYS C 234 0.309 -10.685 10.757 1.00 30.12 C ATOM 2265 O CYS C 234 -0.799 -10.156 10.922 1.00 12.51 O ATOM 2266 CB CYS C 234 0.673 -12.457 9.041 1.00 44.35 C ATOM 2267 SG CYS C 234 0.454 -14.219 8.551 1.00 63.51 S ATOM 0 H CYS C 234 -1.667 -12.304 10.438 1.00 54.10 H new ATOM 0 HA CYS C 234 1.210 -12.611 11.101 1.00 41.21 H new ATOM 0 HB2 CYS C 234 0.009 -11.839 8.437 1.00 44.35 H new ATOM 0 HB3 CYS C 234 1.693 -12.151 8.808 1.00 44.35 H new ATOM 2272 N ALA C 235 1.432 -10.011 10.839 1.00 33.21 N ATOM 2273 CA ALA C 235 1.408 -8.572 10.993 1.00 12.11 C ATOM 2274 C ALA C 235 1.081 -7.940 9.648 1.00 74.13 C ATOM 2275 O ALA C 235 0.923 -8.657 8.652 1.00 35.31 O ATOM 2276 CB ALA C 235 2.736 -8.064 11.516 1.00 14.03 C ATOM 0 H ALA C 235 2.363 -10.427 10.803 1.00 33.21 H new ATOM 0 HA ALA C 235 0.644 -8.298 11.720 1.00 12.11 H new ATOM 0 HB1 ALA C 235 2.694 -6.980 11.624 1.00 14.03 H new ATOM 0 HB2 ALA C 235 2.943 -8.517 12.486 1.00 14.03 H new ATOM 0 HB3 ALA C 235 3.528 -8.329 10.816 1.00 14.03 H new ATOM 2282 N CYS C 236 0.982 -6.616 9.613 1.00 61.51 N ATOM 2283 CA CYS C 236 0.685 -5.923 8.372 1.00 4.24 C ATOM 2284 C CYS C 236 1.791 -6.269 7.371 1.00 70.33 C ATOM 2285 O CYS C 236 2.970 -6.236 7.701 1.00 62.24 O ATOM 2286 CB CYS C 236 0.565 -4.405 8.618 1.00 45.54 C ATOM 2287 SG CYS C 236 -0.034 -3.436 7.193 1.00 33.33 S ATOM 0 H CYS C 236 1.102 -6.008 10.423 1.00 61.51 H new ATOM 0 HA CYS C 236 -0.275 -6.241 7.965 1.00 4.24 H new ATOM 0 HB2 CYS C 236 -0.109 -4.241 9.459 1.00 45.54 H new ATOM 0 HB3 CYS C 236 1.542 -4.022 8.913 1.00 45.54 H new ATOM 2292 N GLN C 237 1.417 -6.643 6.196 1.00 31.52 N ATOM 2293 CA GLN C 237 2.368 -7.174 5.256 1.00 52.35 C ATOM 2294 C GLN C 237 2.465 -6.273 4.056 1.00 23.43 C ATOM 2295 O GLN C 237 1.453 -5.967 3.432 1.00 2.01 O ATOM 2296 CB GLN C 237 1.902 -8.544 4.796 1.00 13.10 C ATOM 2297 CG GLN C 237 2.969 -9.360 4.109 1.00 0.44 C ATOM 2298 CD GLN C 237 3.882 -10.076 5.095 1.00 5.12 C ATOM 2299 OE1 GLN C 237 4.425 -11.113 4.783 1.00 53.12 O ATOM 2300 NE2 GLN C 237 3.987 -9.581 6.304 1.00 1.14 N ATOM 0 H GLN C 237 0.457 -6.594 5.854 1.00 31.52 H new ATOM 0 HA GLN C 237 3.343 -7.245 5.739 1.00 52.35 H new ATOM 0 HB2 GLN C 237 1.534 -9.099 5.659 1.00 13.10 H new ATOM 0 HB3 GLN C 237 1.060 -8.420 4.115 1.00 13.10 H new ATOM 0 HG2 GLN C 237 2.496 -10.095 3.457 1.00 0.44 H new ATOM 0 HG3 GLN C 237 3.567 -8.708 3.473 1.00 0.44 H new ATOM 0 HE21 GLN C 237 3.519 -8.706 6.539 1.00 1.14 H new ATOM 0 HE22 GLN C 237 4.537 -10.071 7.010 1.00 1.14 H new ATOM 2309 N ILE C 238 3.661 -5.848 3.724 1.00 44.11 N ATOM 2310 CA ILE C 238 3.842 -4.989 2.582 1.00 15.15 C ATOM 2311 C ILE C 238 4.865 -5.612 1.635 1.00 52.34 C ATOM 2312 O ILE C 238 5.933 -6.042 2.071 1.00 22.03 O ATOM 2313 CB ILE C 238 4.343 -3.582 3.010 1.00 10.24 C ATOM 2314 CG1 ILE C 238 3.515 -3.067 4.201 1.00 31.33 C ATOM 2315 CG2 ILE C 238 4.203 -2.613 1.833 1.00 74.10 C ATOM 2316 CD1 ILE C 238 3.870 -1.677 4.659 1.00 14.21 C ATOM 0 H ILE C 238 4.518 -6.082 4.226 1.00 44.11 H new ATOM 0 HA ILE C 238 2.879 -4.879 2.084 1.00 15.15 H new ATOM 0 HB ILE C 238 5.389 -3.650 3.307 1.00 10.24 H new ATOM 0 HG12 ILE C 238 2.460 -3.087 3.928 1.00 31.33 H new ATOM 0 HG13 ILE C 238 3.641 -3.754 5.038 1.00 31.33 H new ATOM 0 HG21 ILE C 238 4.554 -1.625 2.131 1.00 74.10 H new ATOM 0 HG22 ILE C 238 4.799 -2.972 0.994 1.00 74.10 H new ATOM 0 HG23 ILE C 238 3.156 -2.551 1.535 1.00 74.10 H new ATOM 0 HD11 ILE C 238 3.236 -1.398 5.501 1.00 14.21 H new ATOM 0 HD12 ILE C 238 4.915 -1.651 4.967 1.00 14.21 H new ATOM 0 HD13 ILE C 238 3.716 -0.974 3.841 1.00 14.21 H new ATOM 2328 N VAL C 239 4.530 -5.679 0.371 1.00 34.10 N ATOM 2329 CA VAL C 239 5.421 -6.195 -0.656 1.00 70.52 C ATOM 2330 C VAL C 239 5.634 -5.102 -1.714 1.00 10.12 C ATOM 2331 O VAL C 239 4.670 -4.509 -2.203 1.00 22.31 O ATOM 2332 CB VAL C 239 4.833 -7.466 -1.339 1.00 73.52 C ATOM 2333 CG1 VAL C 239 5.814 -8.049 -2.355 1.00 10.52 C ATOM 2334 CG2 VAL C 239 4.447 -8.518 -0.300 1.00 3.23 C ATOM 0 H VAL C 239 3.624 -5.376 0.015 1.00 34.10 H new ATOM 0 HA VAL C 239 6.366 -6.473 -0.189 1.00 70.52 H new ATOM 0 HB VAL C 239 3.931 -7.167 -1.872 1.00 73.52 H new ATOM 0 HG11 VAL C 239 5.377 -8.935 -2.816 1.00 10.52 H new ATOM 0 HG12 VAL C 239 6.025 -7.306 -3.124 1.00 10.52 H new ATOM 0 HG13 VAL C 239 6.741 -8.322 -1.851 1.00 10.52 H new ATOM 0 HG21 VAL C 239 4.039 -9.394 -0.804 1.00 3.23 H new ATOM 0 HG22 VAL C 239 5.329 -8.806 0.272 1.00 3.23 H new ATOM 0 HG23 VAL C 239 3.696 -8.105 0.374 1.00 3.23 H new ATOM 2344 N ALA C 240 6.862 -4.840 -2.053 1.00 51.13 N ATOM 2345 CA ALA C 240 7.190 -3.795 -2.987 1.00 10.30 C ATOM 2346 C ALA C 240 8.018 -4.332 -4.128 1.00 0.10 C ATOM 2347 O ALA C 240 8.945 -5.090 -3.924 1.00 43.43 O ATOM 2348 CB ALA C 240 7.956 -2.685 -2.286 1.00 23.11 C ATOM 0 H ALA C 240 7.670 -5.345 -1.690 1.00 51.13 H new ATOM 0 HA ALA C 240 6.257 -3.397 -3.387 1.00 10.30 H new ATOM 0 HB1 ALA C 240 8.198 -1.901 -3.003 1.00 23.11 H new ATOM 0 HB2 ALA C 240 7.343 -2.269 -1.486 1.00 23.11 H new ATOM 0 HB3 ALA C 240 8.877 -3.088 -1.865 1.00 23.11 H new ATOM 2354 N ARG C 241 7.694 -3.942 -5.329 1.00 10.11 N ATOM 2355 CA ARG C 241 8.483 -4.359 -6.459 1.00 75.13 C ATOM 2356 C ARG C 241 9.466 -3.274 -6.813 1.00 30.41 C ATOM 2357 O ARG C 241 9.064 -2.148 -7.073 1.00 24.22 O ATOM 2358 CB ARG C 241 7.628 -4.784 -7.670 1.00 64.32 C ATOM 2359 CG ARG C 241 6.795 -6.019 -7.398 1.00 34.42 C ATOM 2360 CD ARG C 241 6.311 -6.677 -8.672 1.00 40.02 C ATOM 2361 NE ARG C 241 5.776 -8.020 -8.403 1.00 24.34 N ATOM 2362 CZ ARG C 241 5.090 -8.775 -9.267 1.00 14.10 C ATOM 2363 NH1 ARG C 241 4.759 -8.309 -10.457 1.00 21.50 N ATOM 2364 NH2 ARG C 241 4.749 -10.006 -8.931 1.00 15.11 N ATOM 0 H ARG C 241 6.899 -3.343 -5.552 1.00 10.11 H new ATOM 0 HA ARG C 241 9.032 -5.256 -6.171 1.00 75.13 H new ATOM 0 HB2 ARG C 241 6.969 -3.962 -7.950 1.00 64.32 H new ATOM 0 HB3 ARG C 241 8.282 -4.973 -8.522 1.00 64.32 H new ATOM 0 HG2 ARG C 241 7.385 -6.734 -6.824 1.00 34.42 H new ATOM 0 HG3 ARG C 241 5.937 -5.748 -6.783 1.00 34.42 H new ATOM 0 HD2 ARG C 241 5.540 -6.060 -9.133 1.00 40.02 H new ATOM 0 HD3 ARG C 241 7.133 -6.745 -9.385 1.00 40.02 H new ATOM 0 HE ARG C 241 5.943 -8.410 -7.475 1.00 24.34 H new ATOM 0 HH11 ARG C 241 5.027 -7.362 -10.727 1.00 21.50 H new ATOM 0 HH12 ARG C 241 4.235 -8.896 -11.107 1.00 21.50 H new ATOM 0 HH21 ARG C 241 5.009 -10.376 -8.017 1.00 15.11 H new ATOM 0 HH22 ARG C 241 4.226 -10.587 -9.586 1.00 15.11 H new ATOM 2378 N LEU C 242 10.745 -3.615 -6.803 1.00 63.43 N ATOM 2379 CA LEU C 242 11.825 -2.651 -7.030 1.00 54.03 C ATOM 2380 C LEU C 242 11.789 -2.098 -8.436 1.00 23.13 C ATOM 2381 O LEU C 242 11.408 -2.799 -9.370 1.00 10.45 O ATOM 2382 CB LEU C 242 13.192 -3.284 -6.752 1.00 65.53 C ATOM 2383 CG LEU C 242 13.437 -3.809 -5.333 1.00 32.54 C ATOM 2384 CD1 LEU C 242 14.835 -4.383 -5.217 1.00 73.35 C ATOM 2385 CD2 LEU C 242 13.231 -2.717 -4.311 1.00 21.40 C ATOM 0 H LEU C 242 11.070 -4.568 -6.638 1.00 63.43 H new ATOM 0 HA LEU C 242 11.671 -1.826 -6.335 1.00 54.03 H new ATOM 0 HB2 LEU C 242 13.331 -4.111 -7.448 1.00 65.53 H new ATOM 0 HB3 LEU C 242 13.960 -2.545 -6.978 1.00 65.53 H new ATOM 0 HG LEU C 242 12.715 -4.601 -5.134 1.00 32.54 H new ATOM 0 HD11 LEU C 242 14.994 -4.752 -4.204 1.00 73.35 H new ATOM 0 HD12 LEU C 242 14.951 -5.204 -5.924 1.00 73.35 H new ATOM 0 HD13 LEU C 242 15.567 -3.606 -5.439 1.00 73.35 H new ATOM 0 HD21 LEU C 242 13.411 -3.115 -3.312 1.00 21.40 H new ATOM 0 HD22 LEU C 242 13.925 -1.900 -4.507 1.00 21.40 H new ATOM 0 HD23 LEU C 242 12.208 -2.347 -4.375 1.00 21.40 H new ATOM 2397 N LYS C 243 12.161 -0.847 -8.586 1.00 41.32 N ATOM 2398 CA LYS C 243 12.184 -0.221 -9.872 1.00 3.43 C ATOM 2399 C LYS C 243 13.436 -0.572 -10.617 1.00 35.33 C ATOM 2400 O LYS C 243 14.390 -1.063 -10.005 1.00 4.52 O ATOM 2401 CB LYS C 243 11.937 1.268 -9.763 1.00 2.15 C ATOM 2402 CG LYS C 243 12.780 1.975 -8.787 1.00 61.31 C ATOM 2403 CD LYS C 243 12.361 3.427 -8.614 1.00 31.51 C ATOM 2404 CE LYS C 243 12.458 4.277 -9.902 1.00 23.32 C ATOM 2405 NZ LYS C 243 11.349 4.042 -10.890 1.00 54.43 N ATOM 0 H LYS C 243 12.454 -0.243 -7.818 1.00 41.32 H new ATOM 0 HA LYS C 243 11.360 -0.613 -10.467 1.00 3.43 H new ATOM 0 HB2 LYS C 243 12.090 1.718 -10.744 1.00 2.15 H new ATOM 0 HB3 LYS C 243 10.892 1.428 -9.499 1.00 2.15 H new ATOM 0 HG2 LYS C 243 12.725 1.465 -7.825 1.00 61.31 H new ATOM 0 HG3 LYS C 243 13.820 1.934 -9.110 1.00 61.31 H new ATOM 0 HD2 LYS C 243 11.334 3.455 -8.251 1.00 31.51 H new ATOM 0 HD3 LYS C 243 12.984 3.883 -7.844 1.00 31.51 H new ATOM 0 HE2 LYS C 243 12.464 5.332 -9.626 1.00 23.32 H new ATOM 0 HE3 LYS C 243 13.411 4.069 -10.389 1.00 23.32 H new ATOM 0 HZ1 LYS C 243 11.723 3.535 -11.718 1.00 54.43 H new ATOM 0 HZ2 LYS C 243 10.602 3.473 -10.444 1.00 54.43 H new ATOM 0 HZ3 LYS C 243 10.954 4.955 -11.193 1.00 54.43 H new ATOM 2461 N ARG C 247 14.261 -7.210 -8.299 1.00 71.12 N ATOM 2462 CA ARG C 247 13.307 -8.146 -7.720 1.00 12.11 C ATOM 2463 C ARG C 247 12.165 -7.422 -6.997 1.00 54.45 C ATOM 2464 O ARG C 247 12.018 -6.201 -7.077 1.00 41.41 O ATOM 2465 CB ARG C 247 14.036 -8.988 -6.681 1.00 21.15 C ATOM 2466 CG ARG C 247 14.475 -8.185 -5.463 1.00 33.15 C ATOM 2467 CD ARG C 247 15.121 -9.053 -4.438 1.00 21.42 C ATOM 2468 NE ARG C 247 16.419 -9.555 -4.871 1.00 73.21 N ATOM 2469 CZ ARG C 247 17.171 -10.408 -4.175 1.00 21.21 C ATOM 2470 NH1 ARG C 247 16.724 -10.917 -3.020 1.00 51.11 N ATOM 2471 NH2 ARG C 247 18.369 -10.754 -4.634 1.00 3.21 N ATOM 0 HA ARG C 247 12.891 -8.747 -8.529 1.00 12.11 H new ATOM 0 HB2 ARG C 247 13.385 -9.800 -6.358 1.00 21.15 H new ATOM 0 HB3 ARG C 247 14.911 -9.446 -7.142 1.00 21.15 H new ATOM 0 HG2 ARG C 247 15.172 -7.406 -5.772 1.00 33.15 H new ATOM 0 HG3 ARG C 247 13.611 -7.685 -5.025 1.00 33.15 H new ATOM 0 HD2 ARG C 247 15.243 -8.489 -3.513 1.00 21.42 H new ATOM 0 HD3 ARG C 247 14.466 -9.895 -4.214 1.00 21.42 H new ATOM 0 HE ARG C 247 16.777 -9.231 -5.769 1.00 73.21 H new ATOM 0 HH11 ARG C 247 15.804 -10.653 -2.668 1.00 51.11 H new ATOM 0 HH12 ARG C 247 17.304 -11.569 -2.492 1.00 51.11 H new ATOM 0 HH21 ARG C 247 18.709 -10.367 -5.515 1.00 3.21 H new ATOM 0 HH22 ARG C 247 18.949 -11.406 -4.106 1.00 3.21 H new ATOM 2485 N GLN C 248 11.360 -8.191 -6.304 1.00 22.44 N ATOM 2486 CA GLN C 248 10.386 -7.650 -5.409 1.00 51.22 C ATOM 2487 C GLN C 248 10.866 -7.927 -3.993 1.00 50.42 C ATOM 2488 O GLN C 248 11.467 -8.983 -3.728 1.00 24.11 O ATOM 2489 CB GLN C 248 8.986 -8.236 -5.644 1.00 13.24 C ATOM 2490 CG GLN C 248 8.872 -9.730 -5.426 1.00 3.54 C ATOM 2491 CD GLN C 248 7.462 -10.243 -5.580 1.00 13.30 C ATOM 2492 OE1 GLN C 248 6.650 -9.699 -6.346 1.00 62.24 O ATOM 2493 NE2 GLN C 248 7.147 -11.274 -4.860 1.00 52.21 N ATOM 0 H GLN C 248 11.368 -9.210 -6.350 1.00 22.44 H new ATOM 0 HA GLN C 248 10.289 -6.578 -5.582 1.00 51.22 H new ATOM 0 HB2 GLN C 248 8.282 -7.733 -4.981 1.00 13.24 H new ATOM 0 HB3 GLN C 248 8.680 -8.009 -6.665 1.00 13.24 H new ATOM 0 HG2 GLN C 248 9.520 -10.245 -6.135 1.00 3.54 H new ATOM 0 HG3 GLN C 248 9.235 -9.974 -4.428 1.00 3.54 H new ATOM 0 HE21 GLN C 248 7.840 -11.695 -4.242 1.00 52.21 H new ATOM 0 HE22 GLN C 248 6.206 -11.664 -4.912 1.00 52.21 H new ATOM 2502 N VAL C 249 10.641 -6.997 -3.120 1.00 41.21 N ATOM 2503 CA VAL C 249 11.070 -7.086 -1.747 1.00 62.24 C ATOM 2504 C VAL C 249 9.889 -6.905 -0.828 1.00 22.44 C ATOM 2505 O VAL C 249 8.878 -6.339 -1.214 1.00 72.32 O ATOM 2506 CB VAL C 249 12.172 -6.050 -1.387 1.00 32.54 C ATOM 2507 CG1 VAL C 249 13.430 -6.265 -2.216 1.00 4.43 C ATOM 2508 CG2 VAL C 249 11.670 -4.616 -1.528 1.00 13.32 C ATOM 0 H VAL C 249 10.144 -6.134 -3.339 1.00 41.21 H new ATOM 0 HA VAL C 249 11.505 -8.077 -1.617 1.00 62.24 H new ATOM 0 HB VAL C 249 12.427 -6.209 -0.339 1.00 32.54 H new ATOM 0 HG11 VAL C 249 14.180 -5.524 -1.939 1.00 4.43 H new ATOM 0 HG12 VAL C 249 13.822 -7.265 -2.030 1.00 4.43 H new ATOM 0 HG13 VAL C 249 13.191 -6.161 -3.274 1.00 4.43 H new ATOM 0 HG21 VAL C 249 12.470 -3.923 -1.267 1.00 13.32 H new ATOM 0 HG22 VAL C 249 11.358 -4.439 -2.557 1.00 13.32 H new ATOM 0 HG23 VAL C 249 10.823 -4.460 -0.860 1.00 13.32 H new ATOM 2518 N CYS C 250 10.008 -7.385 0.345 1.00 50.34 N ATOM 2519 CA CYS C 250 8.964 -7.291 1.313 1.00 13.34 C ATOM 2520 C CYS C 250 9.400 -6.293 2.350 1.00 62.15 C ATOM 2521 O CYS C 250 10.533 -6.276 2.715 1.00 20.23 O ATOM 2522 CB CYS C 250 8.761 -8.649 1.943 1.00 21.31 C ATOM 2523 SG CYS C 250 8.420 -9.965 0.733 1.00 22.21 S ATOM 0 H CYS C 250 10.844 -7.865 0.678 1.00 50.34 H new ATOM 0 HA CYS C 250 8.025 -6.972 0.860 1.00 13.34 H new ATOM 0 HB2 CYS C 250 9.651 -8.913 2.514 1.00 21.31 H new ATOM 0 HB3 CYS C 250 7.934 -8.593 2.650 1.00 21.31 H new ATOM 2528 N ILE C 251 8.529 -5.468 2.814 1.00 35.40 N ATOM 2529 CA ILE C 251 8.927 -4.448 3.755 1.00 11.42 C ATOM 2530 C ILE C 251 8.153 -4.482 5.026 1.00 32.23 C ATOM 2531 O ILE C 251 6.947 -4.783 5.028 1.00 22.24 O ATOM 2532 CB ILE C 251 8.997 -2.989 3.171 1.00 42.34 C ATOM 2533 CG1 ILE C 251 7.736 -2.539 2.419 1.00 71.10 C ATOM 2534 CG2 ILE C 251 10.172 -2.843 2.277 1.00 63.22 C ATOM 2535 CD1 ILE C 251 7.484 -3.246 1.096 1.00 71.04 C ATOM 0 H ILE C 251 7.539 -5.468 2.568 1.00 35.40 H new ATOM 0 HA ILE C 251 9.957 -4.720 3.987 1.00 11.42 H new ATOM 0 HB ILE C 251 9.086 -2.341 4.043 1.00 42.34 H new ATOM 0 HG12 ILE C 251 6.872 -2.694 3.066 1.00 71.10 H new ATOM 0 HG13 ILE C 251 7.807 -1.467 2.232 1.00 71.10 H new ATOM 0 HG21 ILE C 251 10.205 -1.828 1.882 1.00 63.22 H new ATOM 0 HG22 ILE C 251 11.084 -3.043 2.839 1.00 63.22 H new ATOM 0 HG23 ILE C 251 10.092 -3.551 1.452 1.00 63.22 H new ATOM 0 HD11 ILE C 251 6.571 -2.858 0.644 1.00 71.04 H new ATOM 0 HD12 ILE C 251 8.324 -3.071 0.424 1.00 71.04 H new ATOM 0 HD13 ILE C 251 7.375 -4.316 1.270 1.00 71.04 H new ATOM 2547 N ASP C 252 8.851 -4.213 6.122 1.00 4.45 N ATOM 2548 CA ASP C 252 8.219 -4.186 7.431 1.00 33.00 C ATOM 2549 C ASP C 252 7.334 -2.948 7.521 1.00 32.22 C ATOM 2550 O ASP C 252 7.763 -1.863 7.138 1.00 44.54 O ATOM 2551 CB ASP C 252 9.271 -4.136 8.552 1.00 10.13 C ATOM 2552 CG ASP C 252 8.650 -4.305 9.935 1.00 22.53 C ATOM 2553 OD1 ASP C 252 8.227 -3.320 10.535 1.00 20.24 O ATOM 2554 OD2 ASP C 252 8.568 -5.439 10.438 1.00 35.04 O ATOM 0 H ASP C 252 9.851 -4.011 6.129 1.00 4.45 H new ATOM 0 HA ASP C 252 7.628 -5.093 7.555 1.00 33.00 H new ATOM 0 HB2 ASP C 252 10.010 -4.921 8.389 1.00 10.13 H new ATOM 0 HB3 ASP C 252 9.801 -3.185 8.508 1.00 10.13 H new ATOM 2559 N PRO C 253 6.099 -3.083 8.012 1.00 61.22 N ATOM 2560 CA PRO C 253 5.168 -1.952 8.134 1.00 0.12 C ATOM 2561 C PRO C 253 5.661 -0.861 9.099 1.00 41.41 C ATOM 2562 O PRO C 253 5.174 0.270 9.081 1.00 75.21 O ATOM 2563 CB PRO C 253 3.874 -2.581 8.655 1.00 30.44 C ATOM 2564 CG PRO C 253 4.251 -3.924 9.182 1.00 33.10 C ATOM 2565 CD PRO C 253 5.495 -4.347 8.459 1.00 11.24 C ATOM 0 HA PRO C 253 5.051 -1.443 7.177 1.00 0.12 H new ATOM 0 HB2 PRO C 253 3.429 -1.966 9.437 1.00 30.44 H new ATOM 0 HB3 PRO C 253 3.135 -2.668 7.859 1.00 30.44 H new ATOM 0 HG2 PRO C 253 4.426 -3.881 10.257 1.00 33.10 H new ATOM 0 HG3 PRO C 253 3.447 -4.642 9.018 1.00 33.10 H new ATOM 0 HD2 PRO C 253 6.168 -4.900 9.114 1.00 11.24 H new ATOM 0 HD3 PRO C 253 5.264 -4.998 7.616 1.00 11.24 H new ATOM 2573 N LYS C 254 6.637 -1.195 9.914 1.00 11.21 N ATOM 2574 CA LYS C 254 7.155 -0.272 10.884 1.00 22.32 C ATOM 2575 C LYS C 254 8.535 0.225 10.457 1.00 63.21 C ATOM 2576 O LYS C 254 9.222 0.876 11.218 1.00 53.21 O ATOM 2577 CB LYS C 254 7.273 -0.947 12.232 1.00 51.41 C ATOM 2578 CG LYS C 254 6.024 -1.672 12.693 1.00 61.25 C ATOM 2579 CD LYS C 254 6.243 -2.368 14.034 1.00 21.45 C ATOM 2580 CE LYS C 254 7.457 -3.315 14.010 1.00 54.20 C ATOM 2581 NZ LYS C 254 7.391 -4.297 12.904 1.00 34.34 N ATOM 0 H LYS C 254 7.088 -2.110 9.919 1.00 11.21 H new ATOM 0 HA LYS C 254 6.469 0.572 10.954 1.00 22.32 H new ATOM 0 HB2 LYS C 254 8.097 -1.660 12.194 1.00 51.41 H new ATOM 0 HB3 LYS C 254 7.535 -0.196 12.977 1.00 51.41 H new ATOM 0 HG2 LYS C 254 5.202 -0.962 12.781 1.00 61.25 H new ATOM 0 HG3 LYS C 254 5.732 -2.408 11.944 1.00 61.25 H new ATOM 0 HD2 LYS C 254 6.386 -1.617 14.811 1.00 21.45 H new ATOM 0 HD3 LYS C 254 5.349 -2.933 14.298 1.00 21.45 H new ATOM 0 HE2 LYS C 254 8.370 -2.727 13.915 1.00 54.20 H new ATOM 0 HE3 LYS C 254 7.517 -3.846 14.960 1.00 54.20 H new ATOM 0 HZ1 LYS C 254 8.214 -4.931 12.953 1.00 34.34 H new ATOM 0 HZ2 LYS C 254 6.518 -4.856 12.987 1.00 34.34 H new ATOM 0 HZ3 LYS C 254 7.395 -3.795 11.993 1.00 34.34 H new ATOM 2595 N LEU C 255 8.941 -0.108 9.245 1.00 51.02 N ATOM 2596 CA LEU C 255 10.206 0.337 8.714 1.00 53.04 C ATOM 2597 C LEU C 255 10.146 1.881 8.642 1.00 65.14 C ATOM 2598 O LEU C 255 9.130 2.418 8.239 1.00 41.44 O ATOM 2599 CB LEU C 255 10.342 -0.267 7.321 1.00 70.22 C ATOM 2600 CG LEU C 255 11.735 -0.555 6.806 1.00 14.13 C ATOM 2601 CD1 LEU C 255 11.666 -1.172 5.421 1.00 24.02 C ATOM 2602 CD2 LEU C 255 12.612 0.665 6.807 1.00 24.41 C ATOM 0 H LEU C 255 8.401 -0.693 8.607 1.00 51.02 H new ATOM 0 HA LEU C 255 11.057 0.035 9.324 1.00 53.04 H new ATOM 0 HB2 LEU C 255 9.780 -1.201 7.305 1.00 70.22 H new ATOM 0 HB3 LEU C 255 9.858 0.408 6.615 1.00 70.22 H new ATOM 0 HG LEU C 255 12.193 -1.269 7.491 1.00 14.13 H new ATOM 0 HD11 LEU C 255 12.675 -1.374 5.062 1.00 24.02 H new ATOM 0 HD12 LEU C 255 11.103 -2.104 5.466 1.00 24.02 H new ATOM 0 HD13 LEU C 255 11.170 -0.481 4.739 1.00 24.02 H new ATOM 0 HD21 LEU C 255 13.600 0.403 6.428 1.00 24.41 H new ATOM 0 HD22 LEU C 255 12.170 1.431 6.170 1.00 24.41 H new ATOM 0 HD23 LEU C 255 12.703 1.047 7.824 1.00 24.41 H new ATOM 2614 N LYS C 256 11.227 2.572 9.025 1.00 32.14 N ATOM 2615 CA LYS C 256 11.225 4.050 9.141 1.00 43.32 C ATOM 2616 C LYS C 256 10.683 4.778 7.901 1.00 72.30 C ATOM 2617 O LYS C 256 9.886 5.703 8.038 1.00 13.45 O ATOM 2618 CB LYS C 256 12.598 4.606 9.535 1.00 35.01 C ATOM 2619 CG LYS C 256 12.597 6.114 9.861 1.00 2.32 C ATOM 2620 CD LYS C 256 11.658 6.423 11.040 1.00 61.44 C ATOM 2621 CE LYS C 256 11.729 7.887 11.478 1.00 31.35 C ATOM 2622 NZ LYS C 256 11.359 8.833 10.411 1.00 24.20 N ATOM 0 H LYS C 256 12.119 2.138 9.262 1.00 32.14 H new ATOM 0 HA LYS C 256 10.524 4.257 9.950 1.00 43.32 H new ATOM 0 HB2 LYS C 256 12.965 4.058 10.403 1.00 35.01 H new ATOM 0 HB3 LYS C 256 13.300 4.421 8.722 1.00 35.01 H new ATOM 0 HG2 LYS C 256 13.609 6.438 10.103 1.00 2.32 H new ATOM 0 HG3 LYS C 256 12.283 6.679 8.984 1.00 2.32 H new ATOM 0 HD2 LYS C 256 10.633 6.181 10.757 1.00 61.44 H new ATOM 0 HD3 LYS C 256 11.916 5.782 11.883 1.00 61.44 H new ATOM 0 HE2 LYS C 256 11.068 8.036 12.332 1.00 31.35 H new ATOM 0 HE3 LYS C 256 12.741 8.109 11.816 1.00 31.35 H new ATOM 0 HZ1 LYS C 256 11.588 9.802 10.712 1.00 24.20 H new ATOM 0 HZ2 LYS C 256 11.889 8.605 9.546 1.00 24.20 H new ATOM 0 HZ3 LYS C 256 10.339 8.761 10.222 1.00 24.20 H new ATOM 2636 N TRP C 257 11.094 4.380 6.700 1.00 52.43 N ATOM 2637 CA TRP C 257 10.579 5.064 5.519 1.00 33.40 C ATOM 2638 C TRP C 257 9.131 4.704 5.255 1.00 21.55 C ATOM 2639 O TRP C 257 8.410 5.474 4.668 1.00 74.42 O ATOM 2640 CB TRP C 257 11.450 4.926 4.255 1.00 42.10 C ATOM 2641 CG TRP C 257 11.620 3.547 3.711 1.00 64.45 C ATOM 2642 CD1 TRP C 257 12.613 2.679 4.005 1.00 73.32 C ATOM 2643 CD2 TRP C 257 10.788 2.894 2.739 1.00 3.31 C ATOM 2644 NE1 TRP C 257 12.452 1.525 3.290 1.00 4.54 N ATOM 2645 CE2 TRP C 257 11.344 1.634 2.503 1.00 31.54 C ATOM 2646 CE3 TRP C 257 9.626 3.255 2.048 1.00 32.30 C ATOM 2647 CZ2 TRP C 257 10.791 0.731 1.609 1.00 63.25 C ATOM 2648 CZ3 TRP C 257 9.078 2.353 1.155 1.00 34.41 C ATOM 2649 CH2 TRP C 257 9.669 1.100 0.946 1.00 63.24 C ATOM 0 H TRP C 257 11.753 3.622 6.522 1.00 52.43 H new ATOM 0 HA TRP C 257 10.629 6.125 5.765 1.00 33.40 H new ATOM 0 HB2 TRP C 257 11.018 5.550 3.473 1.00 42.10 H new ATOM 0 HB3 TRP C 257 12.438 5.330 4.476 1.00 42.10 H new ATOM 0 HD1 TRP C 257 13.416 2.869 4.702 1.00 73.32 H new ATOM 0 HE1 TRP C 257 13.064 0.711 3.338 1.00 4.54 H new ATOM 0 HE3 TRP C 257 9.166 4.219 2.209 1.00 32.30 H new ATOM 0 HZ2 TRP C 257 11.241 -0.237 1.446 1.00 63.25 H new ATOM 0 HZ3 TRP C 257 8.183 2.618 0.612 1.00 34.41 H new ATOM 0 HH2 TRP C 257 9.221 0.414 0.242 1.00 63.24 H new ATOM 2660 N ILE C 258 8.722 3.519 5.696 1.00 74.41 N ATOM 2661 CA ILE C 258 7.330 3.099 5.596 1.00 41.24 C ATOM 2662 C ILE C 258 6.504 3.961 6.523 1.00 73.03 C ATOM 2663 O ILE C 258 5.462 4.476 6.136 1.00 2.10 O ATOM 2664 CB ILE C 258 7.150 1.604 5.976 1.00 70.40 C ATOM 2665 CG1 ILE C 258 7.932 0.707 5.015 1.00 0.42 C ATOM 2666 CG2 ILE C 258 5.674 1.219 5.985 1.00 24.11 C ATOM 2667 CD1 ILE C 258 7.436 0.763 3.607 1.00 73.03 C ATOM 0 H ILE C 258 9.338 2.830 6.128 1.00 74.41 H new ATOM 0 HA ILE C 258 7.004 3.215 4.563 1.00 41.24 H new ATOM 0 HB ILE C 258 7.545 1.460 6.982 1.00 70.40 H new ATOM 0 HG12 ILE C 258 8.982 0.998 5.033 1.00 0.42 H new ATOM 0 HG13 ILE C 258 7.880 -0.323 5.369 1.00 0.42 H new ATOM 0 HG21 ILE C 258 5.574 0.167 6.254 1.00 24.11 H new ATOM 0 HG22 ILE C 258 5.143 1.832 6.713 1.00 24.11 H new ATOM 0 HG23 ILE C 258 5.249 1.382 4.994 1.00 24.11 H new ATOM 0 HD11 ILE C 258 8.038 0.102 2.983 1.00 73.03 H new ATOM 0 HD12 ILE C 258 6.394 0.443 3.575 1.00 73.03 H new ATOM 0 HD13 ILE C 258 7.514 1.784 3.234 1.00 73.03 H new ATOM 2679 N GLN C 259 7.009 4.123 7.753 1.00 65.52 N ATOM 2680 CA GLN C 259 6.418 5.000 8.755 1.00 42.42 C ATOM 2681 C GLN C 259 6.169 6.364 8.148 1.00 33.12 C ATOM 2682 O GLN C 259 5.060 6.881 8.188 1.00 4.00 O ATOM 2683 CB GLN C 259 7.397 5.166 9.910 1.00 64.12 C ATOM 2684 CG GLN C 259 7.731 3.899 10.656 1.00 4.21 C ATOM 2685 CD GLN C 259 6.577 3.384 11.451 1.00 61.03 C ATOM 2686 OE1 GLN C 259 6.416 3.753 12.613 1.00 32.34 O ATOM 2687 NE2 GLN C 259 5.774 2.539 10.867 1.00 74.13 N ATOM 0 H GLN C 259 7.848 3.641 8.077 1.00 65.52 H new ATOM 0 HA GLN C 259 5.481 4.567 9.105 1.00 42.42 H new ATOM 0 HB2 GLN C 259 8.321 5.595 9.523 1.00 64.12 H new ATOM 0 HB3 GLN C 259 6.983 5.886 10.616 1.00 64.12 H new ATOM 0 HG2 GLN C 259 8.049 3.136 9.946 1.00 4.21 H new ATOM 0 HG3 GLN C 259 8.573 4.085 11.322 1.00 4.21 H new ATOM 0 HE21 GLN C 259 5.943 2.259 9.901 1.00 74.13 H new ATOM 0 HE22 GLN C 259 4.976 2.158 11.376 1.00 74.13 H new ATOM 2696 N GLU C 260 7.210 6.911 7.537 1.00 70.13 N ATOM 2697 CA GLU C 260 7.131 8.182 6.889 1.00 34.42 C ATOM 2698 C GLU C 260 6.133 8.141 5.752 1.00 32.55 C ATOM 2699 O GLU C 260 5.216 8.926 5.716 1.00 35.15 O ATOM 2700 CB GLU C 260 8.501 8.561 6.332 1.00 15.12 C ATOM 2701 CG GLU C 260 9.564 8.814 7.376 1.00 64.21 C ATOM 2702 CD GLU C 260 9.255 10.006 8.236 1.00 73.30 C ATOM 2703 OE1 GLU C 260 9.337 11.152 7.743 1.00 23.43 O ATOM 2704 OE2 GLU C 260 8.920 9.827 9.412 1.00 33.31 O ATOM 0 H GLU C 260 8.129 6.473 7.485 1.00 70.13 H new ATOM 0 HA GLU C 260 6.807 8.921 7.622 1.00 34.42 H new ATOM 0 HB2 GLU C 260 8.842 7.763 5.673 1.00 15.12 H new ATOM 0 HB3 GLU C 260 8.393 9.456 5.720 1.00 15.12 H new ATOM 0 HG2 GLU C 260 9.666 7.931 8.007 1.00 64.21 H new ATOM 0 HG3 GLU C 260 10.524 8.965 6.883 1.00 64.21 H new ATOM 2711 N TYR C 261 6.302 7.169 4.871 1.00 3.04 N ATOM 2712 CA TYR C 261 5.525 7.045 3.647 1.00 71.05 C ATOM 2713 C TYR C 261 4.033 7.007 3.938 1.00 53.33 C ATOM 2714 O TYR C 261 3.246 7.712 3.281 1.00 11.32 O ATOM 2715 CB TYR C 261 5.957 5.786 2.895 1.00 0.13 C ATOM 2716 CG TYR C 261 5.471 5.707 1.480 1.00 5.44 C ATOM 2717 CD1 TYR C 261 6.158 6.364 0.480 1.00 20.20 C ATOM 2718 CD2 TYR C 261 4.344 4.978 1.135 1.00 75.22 C ATOM 2719 CE1 TYR C 261 5.751 6.309 -0.822 1.00 63.34 C ATOM 2720 CE2 TYR C 261 3.919 4.909 -0.175 1.00 13.24 C ATOM 2721 CZ TYR C 261 4.627 5.576 -1.154 1.00 13.42 C ATOM 2722 OH TYR C 261 4.212 5.506 -2.465 1.00 60.42 O ATOM 0 H TYR C 261 6.995 6.430 4.988 1.00 3.04 H new ATOM 0 HA TYR C 261 5.714 7.921 3.026 1.00 71.05 H new ATOM 0 HB2 TYR C 261 7.046 5.734 2.895 1.00 0.13 H new ATOM 0 HB3 TYR C 261 5.597 4.912 3.438 1.00 0.13 H new ATOM 0 HD1 TYR C 261 7.039 6.935 0.733 1.00 20.20 H new ATOM 0 HD2 TYR C 261 3.791 4.457 1.903 1.00 75.22 H new ATOM 0 HE1 TYR C 261 6.303 6.834 -1.587 1.00 63.34 H new ATOM 0 HE2 TYR C 261 3.039 4.338 -0.433 1.00 13.24 H new ATOM 0 HH TYR C 261 3.304 5.868 -2.541 1.00 60.42 H new ATOM 2732 N LEU C 262 3.649 6.213 4.929 1.00 31.11 N ATOM 2733 CA LEU C 262 2.260 6.096 5.312 1.00 52.43 C ATOM 2734 C LEU C 262 1.779 7.423 5.854 1.00 71.23 C ATOM 2735 O LEU C 262 0.761 7.936 5.411 1.00 54.52 O ATOM 2736 CB LEU C 262 2.057 4.991 6.353 1.00 64.42 C ATOM 2737 CG LEU C 262 2.530 3.584 5.959 1.00 11.31 C ATOM 2738 CD1 LEU C 262 2.224 2.580 7.060 1.00 22.42 C ATOM 2739 CD2 LEU C 262 1.928 3.135 4.635 1.00 62.13 C ATOM 0 H LEU C 262 4.288 5.641 5.481 1.00 31.11 H new ATOM 0 HA LEU C 262 1.678 5.826 4.431 1.00 52.43 H new ATOM 0 HB2 LEU C 262 2.576 5.283 7.266 1.00 64.42 H new ATOM 0 HB3 LEU C 262 0.995 4.939 6.593 1.00 64.42 H new ATOM 0 HG LEU C 262 3.611 3.630 5.827 1.00 11.31 H new ATOM 0 HD11 LEU C 262 2.569 1.591 6.757 1.00 22.42 H new ATOM 0 HD12 LEU C 262 2.735 2.877 7.976 1.00 22.42 H new ATOM 0 HD13 LEU C 262 1.149 2.551 7.237 1.00 22.42 H new ATOM 0 HD21 LEU C 262 2.288 2.135 4.392 1.00 62.13 H new ATOM 0 HD22 LEU C 262 0.841 3.120 4.716 1.00 62.13 H new ATOM 0 HD23 LEU C 262 2.224 3.828 3.847 1.00 62.13 H new ATOM 2751 N GLU C 263 2.536 7.989 6.804 1.00 72.42 N ATOM 2752 CA GLU C 263 2.214 9.316 7.351 1.00 14.43 C ATOM 2753 C GLU C 263 2.109 10.424 6.256 1.00 13.10 C ATOM 2754 O GLU C 263 1.288 11.325 6.374 1.00 10.15 O ATOM 2755 CB GLU C 263 3.209 9.759 8.444 1.00 50.31 C ATOM 2756 CG GLU C 263 3.238 8.879 9.693 1.00 63.13 C ATOM 2757 CD GLU C 263 4.131 9.444 10.785 1.00 33.21 C ATOM 2758 OE1 GLU C 263 5.379 9.374 10.659 1.00 40.13 O ATOM 2759 OE2 GLU C 263 3.594 10.001 11.780 1.00 65.15 O ATOM 0 H GLU C 263 3.367 7.555 7.207 1.00 72.42 H new ATOM 0 HA GLU C 263 1.229 9.199 7.802 1.00 14.43 H new ATOM 0 HB2 GLU C 263 4.210 9.784 8.013 1.00 50.31 H new ATOM 0 HB3 GLU C 263 2.965 10.779 8.743 1.00 50.31 H new ATOM 0 HG2 GLU C 263 2.225 8.768 10.079 1.00 63.13 H new ATOM 0 HG3 GLU C 263 3.587 7.882 9.423 1.00 63.13 H new ATOM 2766 N LYS C 264 2.927 10.350 5.194 1.00 22.43 N ATOM 2767 CA LYS C 264 2.906 11.403 4.157 1.00 74.12 C ATOM 2768 C LYS C 264 1.706 11.229 3.253 1.00 63.52 C ATOM 2769 O LYS C 264 1.027 12.183 2.919 1.00 75.34 O ATOM 2770 CB LYS C 264 4.139 11.342 3.261 1.00 51.24 C ATOM 2771 CG LYS C 264 5.453 11.191 3.965 1.00 11.22 C ATOM 2772 CD LYS C 264 5.755 12.284 4.980 1.00 63.34 C ATOM 2773 CE LYS C 264 7.067 11.967 5.678 1.00 63.11 C ATOM 2774 NZ LYS C 264 7.447 12.961 6.697 1.00 63.33 N ATOM 0 H LYS C 264 3.594 9.597 5.029 1.00 22.43 H new ATOM 0 HA LYS C 264 2.874 12.355 4.687 1.00 74.12 H new ATOM 0 HB2 LYS C 264 4.021 10.507 2.570 1.00 51.24 H new ATOM 0 HB3 LYS C 264 4.173 12.251 2.660 1.00 51.24 H new ATOM 0 HG2 LYS C 264 5.470 10.227 4.473 1.00 11.22 H new ATOM 0 HG3 LYS C 264 6.249 11.174 3.221 1.00 11.22 H new ATOM 0 HD2 LYS C 264 5.818 13.252 4.483 1.00 63.34 H new ATOM 0 HD3 LYS C 264 4.948 12.353 5.710 1.00 63.34 H new ATOM 0 HE2 LYS C 264 6.991 10.987 6.149 1.00 63.11 H new ATOM 0 HE3 LYS C 264 7.859 11.902 4.932 1.00 63.11 H new ATOM 0 HZ1 LYS C 264 8.196 12.569 7.302 1.00 63.33 H new ATOM 0 HZ2 LYS C 264 7.795 13.822 6.229 1.00 63.33 H new ATOM 0 HZ3 LYS C 264 6.618 13.195 7.280 1.00 63.33 H new ATOM 2788 N CYS C 265 1.462 10.000 2.855 1.00 1.04 N ATOM 2789 CA CYS C 265 0.329 9.680 1.972 1.00 35.33 C ATOM 2790 C CYS C 265 -1.010 9.878 2.699 1.00 63.15 C ATOM 2791 O CYS C 265 -2.029 10.134 2.071 1.00 1.12 O ATOM 2792 CB CYS C 265 0.460 8.239 1.410 1.00 0.43 C ATOM 2793 SG CYS C 265 -0.907 7.684 0.310 1.00 34.42 S ATOM 0 H CYS C 265 2.027 9.194 3.122 1.00 1.04 H new ATOM 0 HA CYS C 265 0.349 10.370 1.129 1.00 35.33 H new ATOM 0 HB2 CYS C 265 1.397 8.168 0.858 1.00 0.43 H new ATOM 0 HB3 CYS C 265 0.531 7.547 2.249 1.00 0.43 H new ATOM 2798 N LEU C 266 -0.959 9.802 4.029 1.00 22.35 N ATOM 2799 CA LEU C 266 -2.104 9.920 4.903 1.00 32.44 C ATOM 2800 C LEU C 266 -2.828 11.260 4.666 1.00 43.43 C ATOM 2801 O LEU C 266 -4.052 11.300 4.578 1.00 5.41 O ATOM 2802 CB LEU C 266 -1.588 9.807 6.371 1.00 72.13 C ATOM 2803 CG LEU C 266 -2.586 9.530 7.522 1.00 22.35 C ATOM 2804 CD1 LEU C 266 -3.593 10.622 7.723 1.00 43.44 C ATOM 2805 CD2 LEU C 266 -3.283 8.218 7.310 1.00 12.03 C ATOM 0 H LEU C 266 -0.086 9.651 4.535 1.00 22.35 H new ATOM 0 HA LEU C 266 -2.826 9.129 4.701 1.00 32.44 H new ATOM 0 HB2 LEU C 266 -0.840 9.014 6.392 1.00 72.13 H new ATOM 0 HB3 LEU C 266 -1.072 10.738 6.606 1.00 72.13 H new ATOM 0 HG LEU C 266 -1.989 9.490 8.433 1.00 22.35 H new ATOM 0 HD11 LEU C 266 -4.257 10.357 8.546 1.00 43.44 H new ATOM 0 HD12 LEU C 266 -3.078 11.553 7.958 1.00 43.44 H new ATOM 0 HD13 LEU C 266 -4.177 10.751 6.812 1.00 43.44 H new ATOM 0 HD21 LEU C 266 -3.980 8.040 8.129 1.00 12.03 H new ATOM 0 HD22 LEU C 266 -3.829 8.244 6.367 1.00 12.03 H new ATOM 0 HD23 LEU C 266 -2.546 7.415 7.280 1.00 12.03 H new ATOM 2817 N ASN C 267 -2.080 12.343 4.557 1.00 24.43 N ATOM 2818 CA ASN C 267 -2.727 13.638 4.397 1.00 44.54 C ATOM 2819 C ASN C 267 -2.209 14.410 3.191 1.00 54.11 C ATOM 2820 O ASN C 267 -2.977 15.127 2.527 1.00 45.23 O ATOM 2821 CB ASN C 267 -2.633 14.467 5.692 1.00 32.12 C ATOM 2822 CG ASN C 267 -3.404 15.774 5.637 1.00 72.45 C ATOM 2823 OD1 ASN C 267 -2.880 16.816 5.245 1.00 71.43 O ATOM 2824 ND2 ASN C 267 -4.651 15.731 6.039 1.00 24.13 N ATOM 0 H ASN C 267 -1.060 12.359 4.575 1.00 24.43 H new ATOM 0 HA ASN C 267 -3.781 13.444 4.199 1.00 44.54 H new ATOM 0 HB2 ASN C 267 -3.007 13.869 6.523 1.00 32.12 H new ATOM 0 HB3 ASN C 267 -1.585 14.682 5.900 1.00 32.12 H new ATOM 0 HD21 ASN C 267 -5.218 16.579 6.033 1.00 24.13 H new ATOM 0 HD22 ASN C 267 -5.054 14.850 6.358 1.00 24.13 H new ATOM 3120 N GLY D 319 13.597 -11.248 1.892 1.00 43.24 N ATOM 3121 CA GLY D 319 14.150 -11.448 3.219 1.00 61.30 C ATOM 3122 C GLY D 319 15.626 -11.109 3.319 1.00 45.01 C ATOM 3123 O GLY D 319 16.412 -11.883 3.875 1.00 4.01 O ATOM 0 HA2 GLY D 319 13.596 -10.836 3.931 1.00 61.30 H new ATOM 0 HA3 GLY D 319 14.004 -12.488 3.512 1.00 61.30 H new ATOM 3127 N ASP D 320 15.997 -9.987 2.783 1.00 4.53 N ATOM 3128 CA ASP D 320 17.366 -9.492 2.810 1.00 12.43 C ATOM 3129 C ASP D 320 17.297 -7.976 3.076 1.00 62.45 C ATOM 3130 O ASP D 320 16.285 -7.516 3.586 1.00 31.13 O ATOM 3131 CB ASP D 320 18.028 -9.807 1.472 1.00 73.22 C ATOM 3132 CG ASP D 320 19.507 -9.447 1.394 1.00 64.33 C ATOM 3133 OD1 ASP D 320 20.332 -10.103 2.065 1.00 13.42 O ATOM 3134 OD2 ASP D 320 19.861 -8.476 0.685 1.00 34.02 O ATOM 0 H ASP D 320 15.350 -9.364 2.299 1.00 4.53 H new ATOM 0 HA ASP D 320 17.961 -9.965 3.591 1.00 12.43 H new ATOM 0 HB2 ASP D 320 17.916 -10.872 1.268 1.00 73.22 H new ATOM 0 HB3 ASP D 320 17.496 -9.274 0.684 1.00 73.22 H new ATOM 3163 N ASP D 322 19.164 -6.109 5.341 1.00 0.44 N ATOM 3164 CA ASP D 322 19.107 -6.105 6.837 1.00 21.53 C ATOM 3165 C ASP D 322 18.082 -7.069 7.297 1.00 4.13 C ATOM 3166 O ASP D 322 18.391 -8.058 7.962 1.00 5.31 O ATOM 3167 CB ASP D 322 18.798 -4.748 7.364 1.00 44.34 C ATOM 3168 CG ASP D 322 18.661 -4.700 8.870 1.00 73.15 C ATOM 3169 OD1 ASP D 322 19.665 -4.479 9.574 1.00 64.00 O ATOM 3170 OD2 ASP D 322 17.550 -4.870 9.355 1.00 65.32 O ATOM 0 HA ASP D 322 20.086 -6.398 7.217 1.00 21.53 H new ATOM 0 HB2 ASP D 322 19.586 -4.060 7.057 1.00 44.34 H new ATOM 0 HB3 ASP D 322 17.872 -4.394 6.912 1.00 44.34 H new ATOM 3175 N SER D 323 16.856 -6.746 6.964 1.00 41.50 N ATOM 3176 CA SER D 323 15.771 -7.621 7.079 1.00 1.10 C ATOM 3177 C SER D 323 15.241 -7.822 8.535 1.00 72.14 C ATOM 3178 O SER D 323 14.358 -8.654 8.765 1.00 34.25 O ATOM 3179 CB SER D 323 16.159 -8.902 6.302 1.00 23.11 C ATOM 3180 OG SER D 323 15.192 -9.927 6.350 1.00 60.43 O ATOM 0 H SER D 323 16.603 -5.829 6.595 1.00 41.50 H new ATOM 0 HA SER D 323 14.877 -7.191 6.627 1.00 1.10 H new ATOM 0 HB2 SER D 323 16.341 -8.639 5.260 1.00 23.11 H new ATOM 0 HB3 SER D 323 17.097 -9.285 6.703 1.00 23.11 H new ATOM 0 HG SER D 323 14.336 -9.585 6.017 1.00 60.43 H new ATOM 3186 N MET D 324 15.737 -7.022 9.503 1.00 61.23 N ATOM 3187 CA MET D 324 15.237 -7.100 10.893 1.00 22.41 C ATOM 3188 C MET D 324 15.348 -5.753 11.622 1.00 64.15 C ATOM 3189 O MET D 324 16.359 -5.494 12.292 1.00 73.34 O ATOM 3190 CB MET D 324 15.956 -8.187 11.744 1.00 32.13 C ATOM 3191 CG MET D 324 15.772 -9.623 11.287 1.00 60.43 C ATOM 3192 SD MET D 324 16.608 -10.822 12.359 1.00 72.01 S ATOM 3193 CE MET D 324 15.759 -10.546 13.916 1.00 41.02 C ATOM 0 H MET D 324 16.469 -6.328 9.353 1.00 61.23 H new ATOM 0 HA MET D 324 14.188 -7.379 10.795 1.00 22.41 H new ATOM 0 HB2 MET D 324 17.023 -7.964 11.754 1.00 32.13 H new ATOM 0 HB3 MET D 324 15.604 -8.106 12.772 1.00 32.13 H new ATOM 0 HG2 MET D 324 14.707 -9.854 11.254 1.00 60.43 H new ATOM 0 HG3 MET D 324 16.152 -9.726 10.271 1.00 60.43 H new ATOM 0 HE1 MET D 324 15.893 -11.414 14.562 1.00 41.02 H new ATOM 0 HE2 MET D 324 16.172 -9.663 14.404 1.00 41.02 H new ATOM 0 HE3 MET D 324 14.696 -10.393 13.729 1.00 41.02 H new ATOM 3203 N LYS D 325 14.346 -4.878 11.460 1.00 73.44 N ATOM 3204 CA LYS D 325 14.316 -3.598 12.175 1.00 21.12 C ATOM 3205 C LYS D 325 12.935 -3.216 12.722 1.00 12.15 C ATOM 3206 O LYS D 325 11.941 -3.910 12.515 1.00 11.05 O ATOM 3207 CB LYS D 325 14.917 -2.430 11.373 1.00 5.43 C ATOM 3208 CG LYS D 325 16.428 -2.405 11.278 1.00 73.11 C ATOM 3209 CD LYS D 325 17.050 -2.210 12.660 1.00 52.51 C ATOM 3210 CE LYS D 325 16.714 -0.854 13.295 1.00 60.11 C ATOM 3211 NZ LYS D 325 17.291 -0.723 14.657 1.00 22.31 N ATOM 0 H LYS D 325 13.549 -5.034 10.842 1.00 73.44 H new ATOM 0 HA LYS D 325 14.962 -3.776 13.035 1.00 21.12 H new ATOM 0 HB2 LYS D 325 14.509 -2.459 10.363 1.00 5.43 H new ATOM 0 HB3 LYS D 325 14.585 -1.495 11.824 1.00 5.43 H new ATOM 0 HG2 LYS D 325 16.786 -3.337 10.840 1.00 73.11 H new ATOM 0 HG3 LYS D 325 16.743 -1.600 10.614 1.00 73.11 H new ATOM 0 HD2 LYS D 325 16.707 -3.007 13.320 1.00 52.51 H new ATOM 0 HD3 LYS D 325 18.133 -2.307 12.580 1.00 52.51 H new ATOM 0 HE2 LYS D 325 17.093 -0.052 12.661 1.00 60.11 H new ATOM 0 HE3 LYS D 325 15.632 -0.735 13.346 1.00 60.11 H new ATOM 0 HZ1 LYS D 325 17.042 0.206 15.052 1.00 22.31 H new ATOM 0 HZ2 LYS D 325 16.910 -1.473 15.269 1.00 22.31 H new ATOM 0 HZ3 LYS D 325 18.326 -0.811 14.605 1.00 22.31 H new ATOM 3225 N GLU D 326 12.923 -2.081 13.410 1.00 50.51 N ATOM 3226 CA GLU D 326 11.787 -1.510 14.114 1.00 11.10 C ATOM 3227 C GLU D 326 11.725 0.008 13.794 1.00 4.11 C ATOM 3228 O GLU D 326 12.699 0.545 13.240 1.00 63.44 O ATOM 3229 CB GLU D 326 12.020 -1.741 15.616 1.00 73.51 C ATOM 3230 CG GLU D 326 13.407 -1.298 16.069 1.00 63.30 C ATOM 3231 CD GLU D 326 13.659 -1.494 17.535 1.00 11.44 C ATOM 3232 OE1 GLU D 326 13.533 -2.628 18.021 1.00 11.20 O ATOM 3233 OE2 GLU D 326 14.062 -0.526 18.210 1.00 14.42 O ATOM 0 H GLU D 326 13.758 -1.501 13.495 1.00 50.51 H new ATOM 0 HA GLU D 326 10.845 -1.968 13.812 1.00 11.10 H new ATOM 0 HB2 GLU D 326 11.265 -1.198 16.185 1.00 73.51 H new ATOM 0 HB3 GLU D 326 11.889 -2.799 15.842 1.00 73.51 H new ATOM 0 HG2 GLU D 326 14.157 -1.852 15.504 1.00 63.30 H new ATOM 0 HG3 GLU D 326 13.539 -0.244 15.825 1.00 63.30 H new ATOM 3240 N PRO D 327 10.604 0.717 14.115 1.00 54.23 N ATOM 3241 CA PRO D 327 10.456 2.148 13.812 1.00 21.01 C ATOM 3242 C PRO D 327 11.081 3.062 14.864 1.00 20.50 C ATOM 3243 O PRO D 327 11.887 2.641 15.685 1.00 52.24 O ATOM 3244 CB PRO D 327 8.946 2.328 13.838 1.00 43.44 C ATOM 3245 CG PRO D 327 8.475 1.377 14.860 1.00 10.00 C ATOM 3246 CD PRO D 327 9.382 0.187 14.771 1.00 35.11 C ATOM 0 HA PRO D 327 10.951 2.411 12.877 1.00 21.01 H new ATOM 0 HB2 PRO D 327 8.673 3.352 14.094 1.00 43.44 H new ATOM 0 HB3 PRO D 327 8.505 2.114 12.865 1.00 43.44 H new ATOM 0 HG2 PRO D 327 8.513 1.823 15.854 1.00 10.00 H new ATOM 0 HG3 PRO D 327 7.439 1.092 14.678 1.00 10.00 H new ATOM 0 HD2 PRO D 327 9.603 -0.221 15.757 1.00 35.11 H new ATOM 0 HD3 PRO D 327 8.932 -0.616 14.187 1.00 35.11 H new