USER MOD reduce.3.24.130724 H: found=0, std=0, add=1059, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 1067 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: C 216 SER OG : rot 180:sc= 0.307 USER MOD Set 1.2: C 217 HIS : no HD1:sc= 0 X(o=0.31,f=0.3) USER MOD Set 2.1: A 61 TYR OH : rot -130:sc= -1.69! USER MOD Set 2.2: C 230 ASN : amide:sc= 0 X(o=-1.7,f=-1.7) USER MOD Set 3.1: A 16 SER OG : rot -42:sc= -0.384 USER MOD Set 3.2: B 125 LYS NZ :NH3+ 151:sc= -2.49! (180deg=-5.74!) USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 22 ASN : amide:sc= -0.606 X(o=-0.61,f=-0.74) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 HIS :FLIP no HD1:sc= -0.0374 F(o=-0.88,f=-0.037) USER MOD Single : A 27 LYS NZ :NH3+ -154:sc= -0.694 (180deg=-1.91!) USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 THR OG1 : rot 114:sc= -0.0679 USER MOD Single : A 33 ASN : amide:sc= -0.349 X(o=-0.35,f=-0.82) USER MOD Single : A 37 GLN : amide:sc= -4.1! C(o=-4.1!,f=-4.9!) USER MOD Single : A 43 LYS NZ :NH3+ -152:sc= -1.7! (180deg=-2.69!) USER MOD Single : A 48 GLN : amide:sc= -1.18! C(o=-1.2!,f=-3!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ -179:sc= 1.23 (180deg=1.09) USER MOD Single : A 59 GLN : amide:sc= -0.21 K(o=-0.21,f=-1.7) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0.176 (180deg=0.176) USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 123 SER OG : rot 126:sc= -0.963 USER MOD Single : B 124 MET CE :methyl -161:sc= -0.154 (180deg=-0.625) USER MOD Single : C 222 ASN : amide:sc= -0.636 K(o=-0.64,f=-2.9!) USER MOD Single : C 224 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0267) USER MOD Single : C 225 HIS :FLIP no HD1:sc= -1.15 F(o=-1.9,f=-1.1) USER MOD Single : C 227 LYS NZ :NH3+ 171:sc= -0.134 (180deg=-0.298) USER MOD Single : C 231 THR OG1 : rot 48:sc= -1.58! USER MOD Single : C 233 ASN : amide:sc= -0.338 X(o=-0.34,f=-0.13) USER MOD Single : C 237 GLN : amide:sc= -2.71! C(o=-2.7!,f=-6.9!) USER MOD Single : C 243 LYS NZ :NH3+ -151:sc= 0.00187 (180deg=0) USER MOD Single : C 248 GLN : amide:sc= -0.823 K(o=-0.82,f=-2.8!) USER MOD Single : C 254 LYS NZ :NH3+ -107:sc= 0.807 (180deg=-0.156) USER MOD Single : C 256 LYS NZ :NH3+ 179:sc= 0.629 (180deg=0.628) USER MOD Single : C 259 GLN : amide:sc= 1.25 K(o=1.2,f=-0.87) USER MOD Single : C 261 TYR OH : rot 180:sc= 0 USER MOD Single : C 264 LYS NZ :NH3+ 174:sc= 1.05 (180deg=0.751) USER MOD Single : C 267 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : D 323 SER OG : rot 29:sc= -0.462! USER MOD Single : D 324 MET CE :methyl -139:sc= -0.0759 (180deg=-0.419) USER MOD Single : D 325 LYS NZ :NH3+ 156:sc= -2.14! (180deg=-3.24!) USER MOD ----------------------------------------------------------------- ATOM 115 N ARG A 8 1.962 9.652 -16.391 1.00 61.45 N ATOM 116 CA ARG A 8 0.574 9.545 -16.022 1.00 71.40 C ATOM 117 C ARG A 8 0.442 9.236 -14.566 1.00 50.21 C ATOM 118 O ARG A 8 1.390 8.802 -13.923 1.00 45.23 O ATOM 119 CB ARG A 8 -0.101 8.390 -16.757 1.00 3.40 C ATOM 120 CG ARG A 8 -0.200 8.480 -18.257 1.00 43.03 C ATOM 121 CD ARG A 8 -0.896 7.230 -18.752 1.00 25.42 C ATOM 122 NE ARG A 8 -1.119 7.197 -20.194 1.00 1.54 N ATOM 123 CZ ARG A 8 -1.745 6.191 -20.816 1.00 24.34 C ATOM 124 NH1 ARG A 8 -2.197 5.157 -20.119 1.00 25.34 N ATOM 125 NH2 ARG A 8 -1.926 6.229 -22.122 1.00 24.25 N ATOM 0 HA ARG A 8 0.110 10.498 -16.276 1.00 71.40 H new ATOM 0 HB2 ARG A 8 0.437 7.475 -16.510 1.00 3.40 H new ATOM 0 HB3 ARG A 8 -1.110 8.283 -16.360 1.00 3.40 H new ATOM 0 HG2 ARG A 8 -0.758 9.369 -18.550 1.00 43.03 H new ATOM 0 HG3 ARG A 8 0.792 8.566 -18.701 1.00 43.03 H new ATOM 0 HD2 ARG A 8 -0.302 6.361 -18.468 1.00 25.42 H new ATOM 0 HD3 ARG A 8 -1.857 7.139 -18.245 1.00 25.42 H new ATOM 0 HE ARG A 8 -0.781 7.979 -20.755 1.00 1.54 H new ATOM 0 HH11 ARG A 8 -2.068 5.128 -19.108 1.00 25.34 H new ATOM 0 HH12 ARG A 8 -2.674 4.391 -20.594 1.00 25.34 H new ATOM 0 HH21 ARG A 8 -1.588 7.027 -22.661 1.00 24.25 H new ATOM 0 HH22 ARG A 8 -2.403 5.461 -22.593 1.00 24.25 H new ATOM 139 N CYS A 9 -0.722 9.470 -14.061 1.00 53.32 N ATOM 140 CA CYS A 9 -1.097 9.031 -12.759 1.00 62.31 C ATOM 141 C CYS A 9 -1.877 7.736 -12.964 1.00 2.11 C ATOM 142 O CYS A 9 -2.427 7.537 -14.050 1.00 53.32 O ATOM 143 CB CYS A 9 -1.953 10.095 -12.066 1.00 14.40 C ATOM 144 SG CYS A 9 -1.075 11.677 -11.793 1.00 42.23 S ATOM 0 H CYS A 9 -1.455 9.982 -14.552 1.00 53.32 H new ATOM 0 HA CYS A 9 -0.230 8.865 -12.119 1.00 62.31 H new ATOM 0 HB2 CYS A 9 -2.843 10.282 -12.667 1.00 14.40 H new ATOM 0 HB3 CYS A 9 -2.293 9.707 -11.106 1.00 14.40 H new ATOM 149 N PRO A 10 -1.931 6.823 -11.979 1.00 33.13 N ATOM 150 CA PRO A 10 -2.598 5.541 -12.166 1.00 24.33 C ATOM 151 C PRO A 10 -4.087 5.719 -12.380 1.00 20.34 C ATOM 152 O PRO A 10 -4.618 5.426 -13.447 1.00 14.50 O ATOM 153 CB PRO A 10 -2.321 4.785 -10.850 1.00 40.42 C ATOM 154 CG PRO A 10 -1.210 5.538 -10.206 1.00 42.11 C ATOM 155 CD PRO A 10 -1.387 6.961 -10.625 1.00 24.14 C ATOM 0 HA PRO A 10 -2.236 5.010 -13.046 1.00 24.33 H new ATOM 0 HB2 PRO A 10 -3.205 4.763 -10.213 1.00 40.42 H new ATOM 0 HB3 PRO A 10 -2.039 3.749 -11.040 1.00 40.42 H new ATOM 0 HG2 PRO A 10 -1.250 5.442 -9.121 1.00 42.11 H new ATOM 0 HG3 PRO A 10 -0.241 5.154 -10.525 1.00 42.11 H new ATOM 0 HD2 PRO A 10 -2.069 7.497 -9.965 1.00 24.14 H new ATOM 0 HD3 PRO A 10 -0.444 7.507 -10.620 1.00 24.14 H new ATOM 163 N CYS A 11 -4.741 6.192 -11.375 1.00 32.15 N ATOM 164 CA CYS A 11 -6.138 6.433 -11.434 1.00 52.25 C ATOM 165 C CYS A 11 -6.412 7.890 -11.679 1.00 12.21 C ATOM 166 O CYS A 11 -5.684 8.757 -11.184 1.00 62.22 O ATOM 167 CB CYS A 11 -6.766 5.958 -10.168 1.00 31.11 C ATOM 168 SG CYS A 11 -6.457 4.194 -9.880 1.00 42.22 S ATOM 0 H CYS A 11 -4.313 6.425 -10.479 1.00 32.15 H new ATOM 0 HA CYS A 11 -6.574 5.882 -12.267 1.00 52.25 H new ATOM 0 HB2 CYS A 11 -6.376 6.536 -9.330 1.00 31.11 H new ATOM 0 HB3 CYS A 11 -7.841 6.137 -10.206 1.00 31.11 H new ATOM 173 N ARG A 12 -7.437 8.169 -12.444 1.00 70.43 N ATOM 174 CA ARG A 12 -7.793 9.537 -12.750 1.00 13.50 C ATOM 175 C ARG A 12 -8.839 9.999 -11.703 1.00 31.12 C ATOM 176 O ARG A 12 -8.985 11.192 -11.410 1.00 61.14 O ATOM 177 CB ARG A 12 -8.340 9.592 -14.207 1.00 23.42 C ATOM 178 CG ARG A 12 -8.294 10.962 -14.908 1.00 23.14 C ATOM 179 CD ARG A 12 -9.204 11.999 -14.292 1.00 32.41 C ATOM 180 NE ARG A 12 -9.082 13.298 -14.954 1.00 61.21 N ATOM 181 CZ ARG A 12 -9.861 14.354 -14.702 1.00 35.13 C ATOM 182 NH1 ARG A 12 -10.824 14.263 -13.800 1.00 32.35 N ATOM 183 NH2 ARG A 12 -9.670 15.494 -15.352 1.00 75.41 N ATOM 0 H ARG A 12 -8.043 7.467 -12.869 1.00 70.43 H new ATOM 0 HA ARG A 12 -6.937 10.210 -12.696 1.00 13.50 H new ATOM 0 HB2 ARG A 12 -7.775 8.881 -14.810 1.00 23.42 H new ATOM 0 HB3 ARG A 12 -9.375 9.249 -14.196 1.00 23.42 H new ATOM 0 HG2 ARG A 12 -7.270 11.335 -14.888 1.00 23.14 H new ATOM 0 HG3 ARG A 12 -8.565 10.832 -15.956 1.00 23.14 H new ATOM 0 HD2 ARG A 12 -10.237 11.657 -14.353 1.00 32.41 H new ATOM 0 HD3 ARG A 12 -8.966 12.108 -13.234 1.00 32.41 H new ATOM 0 HE ARG A 12 -8.351 13.405 -15.657 1.00 61.21 H new ATOM 0 HH11 ARG A 12 -10.971 13.388 -13.298 1.00 32.35 H new ATOM 0 HH12 ARG A 12 -11.419 15.068 -13.607 1.00 32.35 H new ATOM 0 HH21 ARG A 12 -8.927 15.567 -16.047 1.00 75.41 H new ATOM 0 HH22 ARG A 12 -10.266 16.298 -15.157 1.00 75.41 H new ATOM 197 N PHE A 13 -9.528 9.028 -11.133 1.00 61.11 N ATOM 198 CA PHE A 13 -10.527 9.251 -10.103 1.00 30.43 C ATOM 199 C PHE A 13 -10.313 8.208 -9.025 1.00 13.10 C ATOM 200 O PHE A 13 -9.786 7.136 -9.315 1.00 2.31 O ATOM 201 CB PHE A 13 -11.951 9.096 -10.662 1.00 33.52 C ATOM 202 CG PHE A 13 -12.321 10.034 -11.771 1.00 4.41 C ATOM 203 CD1 PHE A 13 -12.753 11.315 -11.491 1.00 50.11 C ATOM 204 CD2 PHE A 13 -12.247 9.628 -13.094 1.00 11.25 C ATOM 205 CE1 PHE A 13 -13.104 12.177 -12.505 1.00 13.31 C ATOM 206 CE2 PHE A 13 -12.597 10.484 -14.113 1.00 71.01 C ATOM 207 CZ PHE A 13 -13.026 11.761 -13.821 1.00 21.11 C ATOM 0 H PHE A 13 -9.407 8.045 -11.377 1.00 61.11 H new ATOM 0 HA PHE A 13 -10.423 10.264 -9.715 1.00 30.43 H new ATOM 0 HB2 PHE A 13 -12.071 8.074 -11.021 1.00 33.52 H new ATOM 0 HB3 PHE A 13 -12.659 9.232 -9.845 1.00 33.52 H new ATOM 0 HD1 PHE A 13 -12.816 11.645 -10.464 1.00 50.11 H new ATOM 0 HD2 PHE A 13 -11.911 8.629 -13.328 1.00 11.25 H new ATOM 0 HE1 PHE A 13 -13.440 13.177 -12.273 1.00 13.31 H new ATOM 0 HE2 PHE A 13 -12.536 10.156 -15.140 1.00 71.01 H new ATOM 0 HZ PHE A 13 -13.301 12.435 -14.619 1.00 21.11 H new ATOM 217 N PHE A 14 -10.684 8.512 -7.812 1.00 70.11 N ATOM 218 CA PHE A 14 -10.542 7.570 -6.720 1.00 31.23 C ATOM 219 C PHE A 14 -11.777 7.463 -5.818 1.00 71.11 C ATOM 220 O PHE A 14 -12.295 8.465 -5.300 1.00 50.55 O ATOM 221 CB PHE A 14 -9.194 7.714 -5.977 1.00 64.42 C ATOM 222 CG PHE A 14 -8.685 9.126 -5.826 1.00 60.43 C ATOM 223 CD1 PHE A 14 -9.043 9.913 -4.755 1.00 22.34 C ATOM 224 CD2 PHE A 14 -7.817 9.652 -6.774 1.00 32.11 C ATOM 225 CE1 PHE A 14 -8.550 11.197 -4.629 1.00 72.30 C ATOM 226 CE2 PHE A 14 -7.327 10.930 -6.655 1.00 54.10 C ATOM 227 CZ PHE A 14 -7.692 11.704 -5.581 1.00 32.23 C ATOM 0 H PHE A 14 -11.090 9.409 -7.547 1.00 70.11 H new ATOM 0 HA PHE A 14 -10.496 6.584 -7.182 1.00 31.23 H new ATOM 0 HB2 PHE A 14 -9.297 7.275 -4.985 1.00 64.42 H new ATOM 0 HB3 PHE A 14 -8.442 7.130 -6.507 1.00 64.42 H new ATOM 0 HD1 PHE A 14 -9.716 9.523 -4.006 1.00 22.34 H new ATOM 0 HD2 PHE A 14 -7.522 9.047 -7.618 1.00 32.11 H new ATOM 0 HE1 PHE A 14 -8.837 11.804 -3.783 1.00 72.30 H new ATOM 0 HE2 PHE A 14 -6.657 11.325 -7.404 1.00 54.10 H new ATOM 0 HZ PHE A 14 -7.307 12.708 -5.483 1.00 32.23 H new ATOM 237 N GLU A 15 -12.213 6.220 -5.643 1.00 55.11 N ATOM 238 CA GLU A 15 -13.436 5.816 -4.978 1.00 11.35 C ATOM 239 C GLU A 15 -13.455 6.157 -3.514 1.00 60.21 C ATOM 240 O GLU A 15 -12.435 6.096 -2.830 1.00 1.42 O ATOM 241 CB GLU A 15 -13.672 4.305 -5.173 1.00 1.20 C ATOM 242 CG GLU A 15 -14.122 3.875 -6.582 1.00 31.20 C ATOM 243 CD GLU A 15 -13.224 4.310 -7.736 1.00 70.31 C ATOM 244 OE1 GLU A 15 -13.434 5.437 -8.252 1.00 52.41 O ATOM 245 OE2 GLU A 15 -12.349 3.543 -8.151 1.00 11.12 O ATOM 0 H GLU A 15 -11.683 5.419 -5.986 1.00 55.11 H new ATOM 0 HA GLU A 15 -14.244 6.382 -5.441 1.00 11.35 H new ATOM 0 HB2 GLU A 15 -12.750 3.778 -4.930 1.00 1.20 H new ATOM 0 HB3 GLU A 15 -14.425 3.978 -4.456 1.00 1.20 H new ATOM 0 HG2 GLU A 15 -14.201 2.788 -6.600 1.00 31.20 H new ATOM 0 HG3 GLU A 15 -15.122 4.270 -6.758 1.00 31.20 H new ATOM 252 N SER A 16 -14.630 6.485 -3.024 1.00 33.35 N ATOM 253 CA SER A 16 -14.756 6.905 -1.666 1.00 53.20 C ATOM 254 C SER A 16 -15.823 6.093 -0.906 1.00 64.22 C ATOM 255 O SER A 16 -16.136 6.394 0.240 1.00 34.21 O ATOM 256 CB SER A 16 -15.052 8.409 -1.616 1.00 34.03 C ATOM 257 OG SER A 16 -15.116 8.879 -0.283 1.00 63.11 O ATOM 0 H SER A 16 -15.503 6.466 -3.552 1.00 33.35 H new ATOM 0 HA SER A 16 -13.809 6.716 -1.160 1.00 53.20 H new ATOM 0 HB2 SER A 16 -14.278 8.952 -2.158 1.00 34.03 H new ATOM 0 HB3 SER A 16 -15.996 8.612 -2.121 1.00 34.03 H new ATOM 0 HG SER A 16 -15.612 8.237 0.267 1.00 63.11 H new ATOM 263 N HIS A 17 -16.386 5.092 -1.533 1.00 43.13 N ATOM 264 CA HIS A 17 -17.344 4.220 -0.849 1.00 25.10 C ATOM 265 C HIS A 17 -17.038 2.773 -1.091 1.00 23.31 C ATOM 266 O HIS A 17 -17.675 2.112 -1.894 1.00 55.23 O ATOM 267 CB HIS A 17 -18.820 4.535 -1.159 1.00 52.43 C ATOM 268 CG HIS A 17 -19.390 5.726 -0.441 1.00 23.33 C ATOM 269 ND1 HIS A 17 -20.356 5.613 0.531 1.00 60.31 N ATOM 270 CD2 HIS A 17 -19.148 7.048 -0.565 1.00 11.22 C ATOM 271 CE1 HIS A 17 -20.677 6.807 0.970 1.00 62.54 C ATOM 272 NE2 HIS A 17 -19.960 7.693 0.324 1.00 43.12 N ATOM 0 H HIS A 17 -16.209 4.851 -2.508 1.00 43.13 H new ATOM 0 HA HIS A 17 -17.216 4.432 0.212 1.00 25.10 H new ATOM 0 HB2 HIS A 17 -18.922 4.696 -2.232 1.00 52.43 H new ATOM 0 HB3 HIS A 17 -19.421 3.660 -0.910 1.00 52.43 H new ATOM 0 HD2 HIS A 17 -18.444 7.510 -1.241 1.00 11.22 H new ATOM 0 HE1 HIS A 17 -21.409 7.023 1.735 1.00 62.54 H new ATOM 0 HE2 HIS A 17 -20.001 8.703 0.463 1.00 43.12 H new ATOM 281 N VAL A 18 -16.020 2.304 -0.441 1.00 32.44 N ATOM 282 CA VAL A 18 -15.580 0.942 -0.596 1.00 22.52 C ATOM 283 C VAL A 18 -15.557 0.298 0.785 1.00 51.12 C ATOM 284 O VAL A 18 -15.366 0.995 1.792 1.00 10.03 O ATOM 285 CB VAL A 18 -14.153 0.877 -1.235 1.00 33.13 C ATOM 286 CG1 VAL A 18 -13.760 -0.554 -1.566 1.00 73.51 C ATOM 287 CG2 VAL A 18 -14.052 1.764 -2.471 1.00 20.20 C ATOM 0 H VAL A 18 -15.465 2.852 0.216 1.00 32.44 H new ATOM 0 HA VAL A 18 -16.262 0.413 -1.261 1.00 22.52 H new ATOM 0 HB VAL A 18 -13.451 1.257 -0.493 1.00 33.13 H new ATOM 0 HG11 VAL A 18 -12.764 -0.565 -2.008 1.00 73.51 H new ATOM 0 HG12 VAL A 18 -13.759 -1.151 -0.654 1.00 73.51 H new ATOM 0 HG13 VAL A 18 -14.475 -0.973 -2.273 1.00 73.51 H new ATOM 0 HG21 VAL A 18 -13.047 1.694 -2.888 1.00 20.20 H new ATOM 0 HG22 VAL A 18 -14.778 1.435 -3.215 1.00 20.20 H new ATOM 0 HG23 VAL A 18 -14.259 2.798 -2.195 1.00 20.20 H new ATOM 297 N ALA A 19 -15.760 -0.992 0.849 1.00 60.14 N ATOM 298 CA ALA A 19 -15.789 -1.679 2.104 1.00 13.21 C ATOM 299 C ALA A 19 -14.410 -2.167 2.465 1.00 65.34 C ATOM 300 O ALA A 19 -13.750 -2.845 1.673 1.00 30.53 O ATOM 301 CB ALA A 19 -16.768 -2.831 2.061 1.00 1.04 C ATOM 0 H ALA A 19 -15.909 -1.589 0.035 1.00 60.14 H new ATOM 0 HA ALA A 19 -16.121 -0.981 2.872 1.00 13.21 H new ATOM 0 HB1 ALA A 19 -16.774 -3.339 3.025 1.00 1.04 H new ATOM 0 HB2 ALA A 19 -17.767 -2.452 1.844 1.00 1.04 H new ATOM 0 HB3 ALA A 19 -16.470 -3.533 1.282 1.00 1.04 H new ATOM 307 N ARG A 20 -13.995 -1.828 3.661 1.00 54.02 N ATOM 308 CA ARG A 20 -12.695 -2.178 4.207 1.00 42.23 C ATOM 309 C ARG A 20 -12.503 -3.705 4.211 1.00 4.33 C ATOM 310 O ARG A 20 -11.407 -4.197 3.991 1.00 53.22 O ATOM 311 CB ARG A 20 -12.594 -1.534 5.633 1.00 0.12 C ATOM 312 CG ARG A 20 -11.291 -1.719 6.452 1.00 42.40 C ATOM 313 CD ARG A 20 -11.088 -3.133 6.957 1.00 11.23 C ATOM 314 NE ARG A 20 -12.228 -3.594 7.775 1.00 3.24 N ATOM 315 CZ ARG A 20 -12.492 -4.874 8.092 1.00 4.13 C ATOM 316 NH1 ARG A 20 -11.694 -5.855 7.658 1.00 53.14 N ATOM 317 NH2 ARG A 20 -13.560 -5.171 8.822 1.00 65.11 N ATOM 0 H ARG A 20 -14.567 -1.283 4.306 1.00 54.02 H new ATOM 0 HA ARG A 20 -11.885 -1.787 3.591 1.00 42.23 H new ATOM 0 HB2 ARG A 20 -12.764 -0.463 5.523 1.00 0.12 H new ATOM 0 HB3 ARG A 20 -13.416 -1.927 6.230 1.00 0.12 H new ATOM 0 HG2 ARG A 20 -10.439 -1.437 5.833 1.00 42.40 H new ATOM 0 HG3 ARG A 20 -11.306 -1.037 7.302 1.00 42.40 H new ATOM 0 HD2 ARG A 20 -10.954 -3.805 6.110 1.00 11.23 H new ATOM 0 HD3 ARG A 20 -10.174 -3.179 7.549 1.00 11.23 H new ATOM 0 HE ARG A 20 -12.868 -2.883 8.129 1.00 3.24 H new ATOM 0 HH11 ARG A 20 -10.881 -5.634 7.084 1.00 53.14 H new ATOM 0 HH12 ARG A 20 -11.899 -6.824 7.901 1.00 53.14 H new ATOM 0 HH21 ARG A 20 -14.181 -4.428 9.143 1.00 65.11 H new ATOM 0 HH22 ARG A 20 -13.760 -6.142 9.062 1.00 65.11 H new ATOM 331 N ALA A 21 -13.570 -4.427 4.451 1.00 24.25 N ATOM 332 CA ALA A 21 -13.528 -5.878 4.497 1.00 23.35 C ATOM 333 C ALA A 21 -13.613 -6.523 3.106 1.00 20.21 C ATOM 334 O ALA A 21 -13.387 -7.721 2.967 1.00 43.22 O ATOM 335 CB ALA A 21 -14.638 -6.411 5.391 1.00 2.34 C ATOM 0 H ALA A 21 -14.494 -4.031 4.621 1.00 24.25 H new ATOM 0 HA ALA A 21 -12.558 -6.151 4.914 1.00 23.35 H new ATOM 0 HB1 ALA A 21 -14.594 -7.500 5.416 1.00 2.34 H new ATOM 0 HB2 ALA A 21 -14.512 -6.020 6.400 1.00 2.34 H new ATOM 0 HB3 ALA A 21 -15.605 -6.096 4.998 1.00 2.34 H new ATOM 341 N ASN A 22 -13.937 -5.747 2.089 1.00 51.34 N ATOM 342 CA ASN A 22 -14.166 -6.322 0.753 1.00 25.41 C ATOM 343 C ASN A 22 -12.943 -6.136 -0.154 1.00 11.14 C ATOM 344 O ASN A 22 -12.888 -6.663 -1.275 1.00 2.51 O ATOM 345 CB ASN A 22 -15.419 -5.698 0.111 1.00 14.32 C ATOM 346 CG ASN A 22 -15.845 -6.365 -1.197 1.00 34.50 C ATOM 347 OD1 ASN A 22 -15.651 -7.558 -1.404 1.00 51.42 O ATOM 348 ND2 ASN A 22 -16.429 -5.597 -2.079 1.00 44.35 N ATOM 0 H ASN A 22 -14.049 -4.735 2.147 1.00 51.34 H new ATOM 0 HA ASN A 22 -14.329 -7.393 0.871 1.00 25.41 H new ATOM 0 HB2 ASN A 22 -16.244 -5.753 0.821 1.00 14.32 H new ATOM 0 HB3 ASN A 22 -15.230 -4.641 -0.077 1.00 14.32 H new ATOM 0 HD21 ASN A 22 -16.738 -5.987 -2.970 1.00 44.35 H new ATOM 0 HD22 ASN A 22 -16.576 -4.608 -1.877 1.00 44.35 H new ATOM 355 N VAL A 23 -11.948 -5.449 0.333 1.00 43.30 N ATOM 356 CA VAL A 23 -10.774 -5.229 -0.471 1.00 14.03 C ATOM 357 C VAL A 23 -9.755 -6.303 -0.199 1.00 54.51 C ATOM 358 O VAL A 23 -9.624 -6.779 0.914 1.00 45.41 O ATOM 359 CB VAL A 23 -10.148 -3.816 -0.300 1.00 42.40 C ATOM 360 CG1 VAL A 23 -11.102 -2.753 -0.796 1.00 24.40 C ATOM 361 CG2 VAL A 23 -9.775 -3.542 1.145 1.00 15.34 C ATOM 0 H VAL A 23 -11.923 -5.037 1.266 1.00 43.30 H new ATOM 0 HA VAL A 23 -11.097 -5.281 -1.511 1.00 14.03 H new ATOM 0 HB VAL A 23 -9.236 -3.787 -0.896 1.00 42.40 H new ATOM 0 HG11 VAL A 23 -10.649 -1.770 -0.669 1.00 24.40 H new ATOM 0 HG12 VAL A 23 -11.316 -2.920 -1.851 1.00 24.40 H new ATOM 0 HG13 VAL A 23 -12.029 -2.801 -0.225 1.00 24.40 H new ATOM 0 HG21 VAL A 23 -9.341 -2.546 1.226 1.00 15.34 H new ATOM 0 HG22 VAL A 23 -10.667 -3.601 1.768 1.00 15.34 H new ATOM 0 HG23 VAL A 23 -9.049 -4.283 1.480 1.00 15.34 H new ATOM 371 N LYS A 24 -9.083 -6.702 -1.234 1.00 73.20 N ATOM 372 CA LYS A 24 -8.158 -7.781 -1.200 1.00 64.21 C ATOM 373 C LYS A 24 -6.760 -7.263 -0.821 1.00 75.45 C ATOM 374 O LYS A 24 -6.009 -7.942 -0.115 1.00 53.31 O ATOM 375 CB LYS A 24 -8.192 -8.423 -2.580 1.00 23.22 C ATOM 376 CG LYS A 24 -7.559 -9.755 -2.703 1.00 2.25 C ATOM 377 CD LYS A 24 -7.900 -10.403 -4.060 1.00 71.43 C ATOM 378 CE LYS A 24 -7.535 -9.533 -5.267 1.00 13.44 C ATOM 379 NZ LYS A 24 -7.921 -10.176 -6.553 1.00 21.41 N ATOM 0 H LYS A 24 -9.169 -6.269 -2.153 1.00 73.20 H new ATOM 0 HA LYS A 24 -8.418 -8.524 -0.446 1.00 64.21 H new ATOM 0 HB2 LYS A 24 -9.233 -8.510 -2.891 1.00 23.22 H new ATOM 0 HB3 LYS A 24 -7.705 -7.747 -3.283 1.00 23.22 H new ATOM 0 HG2 LYS A 24 -6.478 -9.659 -2.603 1.00 2.25 H new ATOM 0 HG3 LYS A 24 -7.898 -10.400 -1.892 1.00 2.25 H new ATOM 0 HD2 LYS A 24 -7.377 -11.356 -4.139 1.00 71.43 H new ATOM 0 HD3 LYS A 24 -8.967 -10.621 -4.090 1.00 71.43 H new ATOM 0 HE2 LYS A 24 -8.032 -8.567 -5.181 1.00 13.44 H new ATOM 0 HE3 LYS A 24 -6.462 -9.341 -5.265 1.00 13.44 H new ATOM 0 HZ1 LYS A 24 -7.657 -9.555 -7.345 1.00 21.41 H new ATOM 0 HZ2 LYS A 24 -7.428 -11.087 -6.648 1.00 21.41 H new ATOM 0 HZ3 LYS A 24 -8.949 -10.336 -6.566 1.00 21.41 H new ATOM 393 N HIS A 25 -6.416 -6.059 -1.298 1.00 70.04 N ATOM 394 CA HIS A 25 -5.165 -5.392 -0.888 1.00 71.31 C ATOM 395 C HIS A 25 -5.137 -3.949 -1.351 1.00 62.34 C ATOM 396 O HIS A 25 -5.942 -3.552 -2.199 1.00 25.31 O ATOM 397 CB HIS A 25 -3.867 -6.120 -1.366 1.00 64.42 C ATOM 398 CG HIS A 25 -3.469 -5.972 -2.825 1.00 4.12 C ATOM 399 ND1 HIS A 25 -3.012 -4.893 -3.519 1.00 5.21 N flip ATOM 400 CD2 HIS A 25 -3.413 -7.012 -3.701 1.00 5.32 C flip ATOM 401 CE1 HIS A 25 -2.700 -5.313 -4.770 1.00 54.44 C flip ATOM 402 NE2 HIS A 25 -2.941 -6.588 -4.855 1.00 71.31 N flip ATOM 0 H HIS A 25 -6.979 -5.528 -1.963 1.00 70.04 H new ATOM 0 HA HIS A 25 -5.166 -5.434 0.201 1.00 71.31 H new ATOM 0 HB2 HIS A 25 -3.038 -5.763 -0.755 1.00 64.42 H new ATOM 0 HB3 HIS A 25 -3.983 -7.183 -1.156 1.00 64.42 H new ATOM 0 HD2 HIS A 25 -3.710 -8.027 -3.484 1.00 5.32 H new ATOM 0 HE1 HIS A 25 -2.315 -4.691 -5.565 1.00 54.44 H new ATOM 0 HE2 HIS A 25 -2.789 -7.166 -5.682 1.00 71.31 H new ATOM 411 N LEU A 26 -4.158 -3.206 -0.862 1.00 20.42 N ATOM 412 CA LEU A 26 -3.958 -1.817 -1.234 1.00 41.02 C ATOM 413 C LEU A 26 -2.620 -1.718 -1.955 1.00 25.05 C ATOM 414 O LEU A 26 -1.640 -2.289 -1.516 1.00 1.21 O ATOM 415 CB LEU A 26 -3.899 -0.909 0.026 1.00 75.23 C ATOM 416 CG LEU A 26 -5.117 -0.901 0.967 1.00 73.30 C ATOM 417 CD1 LEU A 26 -4.879 0.048 2.146 1.00 22.31 C ATOM 418 CD2 LEU A 26 -6.383 -0.515 0.219 1.00 73.54 C ATOM 0 H LEU A 26 -3.474 -3.554 -0.190 1.00 20.42 H new ATOM 0 HA LEU A 26 -4.785 -1.490 -1.864 1.00 41.02 H new ATOM 0 HB2 LEU A 26 -3.027 -1.204 0.610 1.00 75.23 H new ATOM 0 HB3 LEU A 26 -3.728 0.115 -0.307 1.00 75.23 H new ATOM 0 HG LEU A 26 -5.250 -1.911 1.355 1.00 73.30 H new ATOM 0 HD11 LEU A 26 -5.751 0.041 2.801 1.00 22.31 H new ATOM 0 HD12 LEU A 26 -4.002 -0.279 2.705 1.00 22.31 H new ATOM 0 HD13 LEU A 26 -4.715 1.059 1.772 1.00 22.31 H new ATOM 0 HD21 LEU A 26 -7.228 -0.517 0.908 1.00 73.54 H new ATOM 0 HD22 LEU A 26 -6.265 0.481 -0.207 1.00 73.54 H new ATOM 0 HD23 LEU A 26 -6.566 -1.232 -0.581 1.00 73.54 H new ATOM 430 N LYS A 27 -2.592 -1.058 -3.073 1.00 10.53 N ATOM 431 CA LYS A 27 -1.374 -0.866 -3.793 1.00 73.04 C ATOM 432 C LYS A 27 -1.171 0.610 -3.987 1.00 5.32 C ATOM 433 O LYS A 27 -1.997 1.269 -4.602 1.00 32.53 O ATOM 434 CB LYS A 27 -1.411 -1.621 -5.108 1.00 53.05 C ATOM 435 CG LYS A 27 -0.056 -1.699 -5.764 1.00 34.12 C ATOM 436 CD LYS A 27 0.044 -2.832 -6.759 1.00 32.22 C ATOM 437 CE LYS A 27 -0.696 -2.638 -8.072 1.00 12.40 C ATOM 438 NZ LYS A 27 -2.147 -2.348 -7.985 1.00 63.53 N ATOM 0 H LYS A 27 -3.413 -0.639 -3.510 1.00 10.53 H new ATOM 0 HA LYS A 27 -0.528 -1.265 -3.233 1.00 73.04 H new ATOM 0 HB2 LYS A 27 -1.786 -2.630 -4.934 1.00 53.05 H new ATOM 0 HB3 LYS A 27 -2.112 -1.132 -5.785 1.00 53.05 H new ATOM 0 HG2 LYS A 27 0.153 -0.757 -6.270 1.00 34.12 H new ATOM 0 HG3 LYS A 27 0.708 -1.826 -4.997 1.00 34.12 H new ATOM 0 HD2 LYS A 27 1.098 -3.001 -6.981 1.00 32.22 H new ATOM 0 HD3 LYS A 27 -0.331 -3.739 -6.285 1.00 32.22 H new ATOM 0 HE2 LYS A 27 -0.218 -1.822 -8.614 1.00 12.40 H new ATOM 0 HE3 LYS A 27 -0.565 -3.538 -8.672 1.00 12.40 H new ATOM 0 HZ1 LYS A 27 -2.617 -2.662 -8.858 1.00 63.53 H new ATOM 0 HZ2 LYS A 27 -2.554 -2.853 -7.172 1.00 63.53 H new ATOM 0 HZ3 LYS A 27 -2.290 -1.325 -7.864 1.00 63.53 H new ATOM 452 N ILE A 28 -0.091 1.122 -3.457 1.00 12.50 N ATOM 453 CA ILE A 28 0.135 2.547 -3.414 1.00 24.13 C ATOM 454 C ILE A 28 1.131 2.965 -4.471 1.00 74.42 C ATOM 455 O ILE A 28 2.270 2.493 -4.482 1.00 61.14 O ATOM 456 CB ILE A 28 0.690 2.979 -2.036 1.00 32.42 C ATOM 457 CG1 ILE A 28 -0.231 2.504 -0.902 1.00 64.24 C ATOM 458 CG2 ILE A 28 0.853 4.492 -1.992 1.00 43.23 C ATOM 459 CD1 ILE A 28 0.255 2.872 0.487 1.00 31.22 C ATOM 0 H ILE A 28 0.657 0.566 -3.043 1.00 12.50 H new ATOM 0 HA ILE A 28 -0.826 3.028 -3.594 1.00 24.13 H new ATOM 0 HB ILE A 28 1.666 2.514 -1.894 1.00 32.42 H new ATOM 0 HG12 ILE A 28 -1.223 2.929 -1.052 1.00 64.24 H new ATOM 0 HG13 ILE A 28 -0.336 1.421 -0.963 1.00 64.24 H new ATOM 0 HG21 ILE A 28 1.244 4.788 -1.018 1.00 43.23 H new ATOM 0 HG22 ILE A 28 1.546 4.806 -2.772 1.00 43.23 H new ATOM 0 HG23 ILE A 28 -0.115 4.967 -2.154 1.00 43.23 H new ATOM 0 HD11 ILE A 28 -0.451 2.500 1.230 1.00 31.22 H new ATOM 0 HD12 ILE A 28 1.234 2.424 0.661 1.00 31.22 H new ATOM 0 HD13 ILE A 28 0.332 3.956 0.570 1.00 31.22 H new ATOM 471 N LEU A 29 0.702 3.836 -5.351 1.00 13.51 N ATOM 472 CA LEU A 29 1.555 4.355 -6.400 1.00 45.23 C ATOM 473 C LEU A 29 1.629 5.874 -6.290 1.00 1.40 C ATOM 474 O LEU A 29 0.636 6.525 -5.985 1.00 75.35 O ATOM 475 CB LEU A 29 1.063 3.963 -7.827 1.00 73.42 C ATOM 476 CG LEU A 29 1.040 2.460 -8.228 1.00 50.44 C ATOM 477 CD1 LEU A 29 -0.007 1.666 -7.470 1.00 45.22 C ATOM 478 CD2 LEU A 29 0.833 2.306 -9.723 1.00 62.43 C ATOM 0 H LEU A 29 -0.248 4.207 -5.363 1.00 13.51 H new ATOM 0 HA LEU A 29 2.541 3.910 -6.263 1.00 45.23 H new ATOM 0 HB2 LEU A 29 0.051 4.351 -7.945 1.00 73.42 H new ATOM 0 HB3 LEU A 29 1.691 4.487 -8.548 1.00 73.42 H new ATOM 0 HG LEU A 29 2.013 2.051 -7.955 1.00 50.44 H new ATOM 0 HD11 LEU A 29 0.023 0.625 -7.791 1.00 45.22 H new ATOM 0 HD12 LEU A 29 0.197 1.722 -6.401 1.00 45.22 H new ATOM 0 HD13 LEU A 29 -0.995 2.080 -7.673 1.00 45.22 H new ATOM 0 HD21 LEU A 29 0.820 1.247 -9.981 1.00 62.43 H new ATOM 0 HD22 LEU A 29 -0.116 2.760 -10.008 1.00 62.43 H new ATOM 0 HD23 LEU A 29 1.646 2.800 -10.256 1.00 62.43 H new ATOM 490 N ASN A 30 2.797 6.422 -6.495 1.00 40.22 N ATOM 491 CA ASN A 30 2.988 7.873 -6.482 1.00 72.25 C ATOM 492 C ASN A 30 3.592 8.327 -7.787 1.00 15.15 C ATOM 493 O ASN A 30 4.728 7.952 -8.126 1.00 44.50 O ATOM 494 CB ASN A 30 3.812 8.326 -5.265 1.00 34.14 C ATOM 495 CG ASN A 30 4.194 9.803 -5.287 1.00 62.10 C ATOM 496 OD1 ASN A 30 5.282 10.164 -5.728 1.00 13.25 O ATOM 497 ND2 ASN A 30 3.311 10.657 -4.837 1.00 41.25 N ATOM 0 H ASN A 30 3.648 5.890 -6.676 1.00 40.22 H new ATOM 0 HA ASN A 30 2.014 8.351 -6.382 1.00 72.25 H new ATOM 0 HB2 ASN A 30 3.243 8.122 -4.358 1.00 34.14 H new ATOM 0 HB3 ASN A 30 4.721 7.727 -5.212 1.00 34.14 H new ATOM 0 HD21 ASN A 30 3.517 11.656 -4.846 1.00 41.25 H new ATOM 0 HD22 ASN A 30 2.417 10.324 -4.477 1.00 41.25 H new ATOM 504 N THR A 31 2.832 9.109 -8.511 1.00 2.01 N ATOM 505 CA THR A 31 3.179 9.545 -9.835 1.00 34.40 C ATOM 506 C THR A 31 3.483 11.060 -9.889 1.00 45.13 C ATOM 507 O THR A 31 3.071 11.800 -8.995 1.00 20.30 O ATOM 508 CB THR A 31 2.040 9.169 -10.789 1.00 20.41 C ATOM 509 OG1 THR A 31 0.788 9.629 -10.235 1.00 12.44 O ATOM 510 CG2 THR A 31 1.998 7.660 -10.977 1.00 32.13 C ATOM 0 H THR A 31 1.934 9.467 -8.186 1.00 2.01 H new ATOM 0 HA THR A 31 4.096 9.043 -10.143 1.00 34.40 H new ATOM 0 HB THR A 31 2.206 9.639 -11.758 1.00 20.41 H new ATOM 0 HG1 THR A 31 0.418 10.335 -10.805 1.00 12.44 H new ATOM 0 HG21 THR A 31 1.186 7.400 -11.656 1.00 32.13 H new ATOM 0 HG22 THR A 31 2.945 7.319 -11.396 1.00 32.13 H new ATOM 0 HG23 THR A 31 1.833 7.178 -10.013 1.00 32.13 H new ATOM 518 N PRO A 32 4.189 11.527 -10.977 1.00 61.22 N ATOM 519 CA PRO A 32 4.696 12.917 -11.135 1.00 75.21 C ATOM 520 C PRO A 32 3.815 14.054 -10.586 1.00 24.53 C ATOM 521 O PRO A 32 4.301 14.902 -9.824 1.00 74.55 O ATOM 522 CB PRO A 32 4.846 13.044 -12.639 1.00 13.12 C ATOM 523 CG PRO A 32 5.277 11.691 -13.071 1.00 43.31 C ATOM 524 CD PRO A 32 4.564 10.712 -12.173 1.00 54.25 C ATOM 0 HA PRO A 32 5.604 13.042 -10.545 1.00 75.21 H new ATOM 0 HB2 PRO A 32 3.907 13.334 -13.111 1.00 13.12 H new ATOM 0 HB3 PRO A 32 5.583 13.802 -12.904 1.00 13.12 H new ATOM 0 HG2 PRO A 32 5.021 11.517 -14.116 1.00 43.31 H new ATOM 0 HG3 PRO A 32 6.358 11.581 -12.985 1.00 43.31 H new ATOM 0 HD2 PRO A 32 3.685 10.290 -12.660 1.00 54.25 H new ATOM 0 HD3 PRO A 32 5.209 9.877 -11.901 1.00 54.25 H new ATOM 532 N ASN A 33 2.550 14.085 -10.953 1.00 25.55 N ATOM 533 CA ASN A 33 1.695 15.208 -10.560 1.00 41.24 C ATOM 534 C ASN A 33 0.576 14.754 -9.605 1.00 62.12 C ATOM 535 O ASN A 33 -0.409 15.457 -9.383 1.00 34.25 O ATOM 536 CB ASN A 33 1.101 15.872 -11.819 1.00 63.20 C ATOM 537 CG ASN A 33 0.335 17.163 -11.531 1.00 54.13 C ATOM 538 OD1 ASN A 33 0.661 17.908 -10.596 1.00 2.34 O ATOM 539 ND2 ASN A 33 -0.681 17.421 -12.307 1.00 54.41 N ATOM 0 H ASN A 33 2.090 13.366 -11.511 1.00 25.55 H new ATOM 0 HA ASN A 33 2.305 15.936 -10.024 1.00 41.24 H new ATOM 0 HB2 ASN A 33 1.908 16.087 -12.520 1.00 63.20 H new ATOM 0 HB3 ASN A 33 0.432 15.165 -12.310 1.00 63.20 H new ATOM 0 HD21 ASN A 33 -1.239 18.261 -12.154 1.00 54.41 H new ATOM 0 HD22 ASN A 33 -0.918 16.783 -13.067 1.00 54.41 H new ATOM 546 N CYS A 34 0.731 13.616 -9.005 1.00 12.42 N ATOM 547 CA CYS A 34 -0.305 13.141 -8.120 1.00 23.10 C ATOM 548 C CYS A 34 0.224 12.789 -6.757 1.00 64.15 C ATOM 549 O CYS A 34 1.418 12.514 -6.584 1.00 2.13 O ATOM 550 CB CYS A 34 -1.124 11.999 -8.746 1.00 11.23 C ATOM 551 SG CYS A 34 -2.068 12.508 -10.235 1.00 10.10 S ATOM 0 H CYS A 34 1.542 13.005 -9.102 1.00 12.42 H new ATOM 0 HA CYS A 34 -0.995 13.972 -7.974 1.00 23.10 H new ATOM 0 HB2 CYS A 34 -0.451 11.184 -9.013 1.00 11.23 H new ATOM 0 HB3 CYS A 34 -1.818 11.609 -8.001 1.00 11.23 H new ATOM 556 N ALA A 35 -0.658 12.846 -5.791 1.00 62.35 N ATOM 557 CA ALA A 35 -0.346 12.524 -4.425 1.00 14.34 C ATOM 558 C ALA A 35 -0.330 10.999 -4.236 1.00 61.52 C ATOM 559 O ALA A 35 -0.018 10.246 -5.172 1.00 45.40 O ATOM 560 CB ALA A 35 -1.397 13.166 -3.535 1.00 60.53 C ATOM 0 H ALA A 35 -1.629 13.122 -5.936 1.00 62.35 H new ATOM 0 HA ALA A 35 0.641 12.904 -4.160 1.00 14.34 H new ATOM 0 HB1 ALA A 35 -1.181 12.935 -2.492 1.00 60.53 H new ATOM 0 HB2 ALA A 35 -1.384 14.247 -3.678 1.00 60.53 H new ATOM 0 HB3 ALA A 35 -2.381 12.778 -3.796 1.00 60.53 H new ATOM 566 N CYS A 36 -0.630 10.547 -3.041 1.00 52.32 N ATOM 567 CA CYS A 36 -0.659 9.134 -2.759 1.00 61.21 C ATOM 568 C CYS A 36 -1.867 8.535 -3.475 1.00 35.11 C ATOM 569 O CYS A 36 -2.963 9.073 -3.400 1.00 21.43 O ATOM 570 CB CYS A 36 -0.751 8.911 -1.241 1.00 12.20 C ATOM 571 SG CYS A 36 -0.633 7.175 -0.714 1.00 73.05 S ATOM 0 H CYS A 36 -0.858 11.143 -2.245 1.00 52.32 H new ATOM 0 HA CYS A 36 0.251 8.649 -3.113 1.00 61.21 H new ATOM 0 HB2 CYS A 36 0.044 9.478 -0.756 1.00 12.20 H new ATOM 0 HB3 CYS A 36 -1.696 9.320 -0.885 1.00 12.20 H new ATOM 576 N GLN A 37 -1.661 7.473 -4.201 1.00 12.54 N ATOM 577 CA GLN A 37 -2.730 6.868 -4.948 1.00 54.05 C ATOM 578 C GLN A 37 -2.929 5.453 -4.463 1.00 61.45 C ATOM 579 O GLN A 37 -1.981 4.655 -4.455 1.00 31.23 O ATOM 580 CB GLN A 37 -2.380 6.855 -6.440 1.00 63.31 C ATOM 581 CG GLN A 37 -3.527 6.453 -7.349 1.00 32.43 C ATOM 582 CD GLN A 37 -4.651 7.471 -7.353 1.00 75.54 C ATOM 583 OE1 GLN A 37 -5.799 7.130 -7.528 1.00 51.30 O ATOM 584 NE2 GLN A 37 -4.314 8.729 -7.174 1.00 23.42 N ATOM 0 H GLN A 37 -0.759 7.006 -4.292 1.00 12.54 H new ATOM 0 HA GLN A 37 -3.646 7.441 -4.803 1.00 54.05 H new ATOM 0 HB2 GLN A 37 -2.034 7.848 -6.728 1.00 63.31 H new ATOM 0 HB3 GLN A 37 -1.548 6.169 -6.600 1.00 63.31 H new ATOM 0 HG2 GLN A 37 -3.153 6.326 -8.365 1.00 32.43 H new ATOM 0 HG3 GLN A 37 -3.918 5.487 -7.030 1.00 32.43 H new ATOM 0 HE21 GLN A 37 -3.336 8.979 -7.029 1.00 23.42 H new ATOM 0 HE22 GLN A 37 -5.031 9.455 -7.180 1.00 23.42 H new ATOM 593 N ILE A 38 -4.135 5.134 -4.068 1.00 23.34 N ATOM 594 CA ILE A 38 -4.438 3.818 -3.580 1.00 23.21 C ATOM 595 C ILE A 38 -5.181 3.065 -4.655 1.00 61.34 C ATOM 596 O ILE A 38 -6.251 3.463 -5.070 1.00 22.34 O ATOM 597 CB ILE A 38 -5.364 3.864 -2.330 1.00 63.05 C ATOM 598 CG1 ILE A 38 -4.767 4.705 -1.198 1.00 3.34 C ATOM 599 CG2 ILE A 38 -5.684 2.453 -1.834 1.00 54.31 C ATOM 600 CD1 ILE A 38 -3.501 4.156 -0.594 1.00 64.42 C ATOM 0 H ILE A 38 -4.928 5.776 -4.076 1.00 23.34 H new ATOM 0 HA ILE A 38 -3.497 3.338 -3.312 1.00 23.21 H new ATOM 0 HB ILE A 38 -6.291 4.346 -2.641 1.00 63.05 H new ATOM 0 HG12 ILE A 38 -4.565 5.707 -1.578 1.00 3.34 H new ATOM 0 HG13 ILE A 38 -5.513 4.807 -0.410 1.00 3.34 H new ATOM 0 HG21 ILE A 38 -6.332 2.513 -0.960 1.00 54.31 H new ATOM 0 HG22 ILE A 38 -6.189 1.896 -2.623 1.00 54.31 H new ATOM 0 HG23 ILE A 38 -4.759 1.943 -1.565 1.00 54.31 H new ATOM 0 HD11 ILE A 38 -3.157 4.822 0.198 1.00 64.42 H new ATOM 0 HD12 ILE A 38 -3.695 3.167 -0.178 1.00 64.42 H new ATOM 0 HD13 ILE A 38 -2.733 4.081 -1.364 1.00 64.42 H new ATOM 612 N VAL A 39 -4.612 2.021 -5.115 1.00 3.22 N ATOM 613 CA VAL A 39 -5.287 1.164 -6.037 1.00 20.14 C ATOM 614 C VAL A 39 -5.585 -0.107 -5.294 1.00 42.31 C ATOM 615 O VAL A 39 -4.674 -0.737 -4.754 1.00 71.40 O ATOM 616 CB VAL A 39 -4.398 0.847 -7.267 1.00 23.11 C ATOM 617 CG1 VAL A 39 -5.130 -0.065 -8.246 1.00 3.02 C ATOM 618 CG2 VAL A 39 -3.954 2.134 -7.955 1.00 2.20 C ATOM 0 H VAL A 39 -3.667 1.726 -4.871 1.00 3.22 H new ATOM 0 HA VAL A 39 -6.192 1.645 -6.407 1.00 20.14 H new ATOM 0 HB VAL A 39 -3.509 0.322 -6.918 1.00 23.11 H new ATOM 0 HG11 VAL A 39 -4.486 -0.273 -9.100 1.00 3.02 H new ATOM 0 HG12 VAL A 39 -5.387 -1.000 -7.749 1.00 3.02 H new ATOM 0 HG13 VAL A 39 -6.041 0.426 -8.589 1.00 3.02 H new ATOM 0 HG21 VAL A 39 -3.331 1.890 -8.816 1.00 2.20 H new ATOM 0 HG22 VAL A 39 -4.831 2.690 -8.287 1.00 2.20 H new ATOM 0 HG23 VAL A 39 -3.382 2.743 -7.254 1.00 2.20 H new ATOM 628 N ALA A 40 -6.802 -0.512 -5.267 1.00 34.42 N ATOM 629 CA ALA A 40 -7.160 -1.650 -4.491 1.00 43.21 C ATOM 630 C ALA A 40 -7.922 -2.639 -5.294 1.00 3.41 C ATOM 631 O ALA A 40 -8.774 -2.295 -6.084 1.00 12.30 O ATOM 632 CB ALA A 40 -7.952 -1.238 -3.268 1.00 64.32 C ATOM 0 H ALA A 40 -7.571 -0.074 -5.773 1.00 34.42 H new ATOM 0 HA ALA A 40 -6.236 -2.127 -4.163 1.00 43.21 H new ATOM 0 HB1 ALA A 40 -8.215 -2.124 -2.690 1.00 64.32 H new ATOM 0 HB2 ALA A 40 -7.350 -0.569 -2.653 1.00 64.32 H new ATOM 0 HB3 ALA A 40 -8.862 -0.725 -3.580 1.00 64.32 H new ATOM 638 N ARG A 41 -7.597 -3.859 -5.113 1.00 53.05 N ATOM 639 CA ARG A 41 -8.300 -4.905 -5.765 1.00 74.25 C ATOM 640 C ARG A 41 -9.217 -5.522 -4.789 1.00 51.02 C ATOM 641 O ARG A 41 -8.817 -5.758 -3.676 1.00 62.31 O ATOM 642 CB ARG A 41 -7.366 -5.952 -6.370 1.00 30.44 C ATOM 643 CG ARG A 41 -6.491 -5.412 -7.471 1.00 62.14 C ATOM 644 CD ARG A 41 -5.753 -6.513 -8.192 1.00 22.45 C ATOM 645 NE ARG A 41 -4.991 -6.001 -9.330 1.00 51.11 N ATOM 646 CZ ARG A 41 -4.410 -6.753 -10.263 1.00 23.23 C ATOM 647 NH1 ARG A 41 -4.502 -8.075 -10.222 1.00 74.54 N ATOM 648 NH2 ARG A 41 -3.750 -6.169 -11.229 1.00 4.00 N ATOM 0 H ARG A 41 -6.836 -4.168 -4.509 1.00 53.05 H new ATOM 0 HA ARG A 41 -8.858 -4.483 -6.601 1.00 74.25 H new ATOM 0 HB2 ARG A 41 -6.734 -6.362 -5.582 1.00 30.44 H new ATOM 0 HB3 ARG A 41 -7.962 -6.776 -6.762 1.00 30.44 H new ATOM 0 HG2 ARG A 41 -7.103 -4.858 -8.183 1.00 62.14 H new ATOM 0 HG3 ARG A 41 -5.773 -4.707 -7.052 1.00 62.14 H new ATOM 0 HD2 ARG A 41 -5.078 -7.013 -7.498 1.00 22.45 H new ATOM 0 HD3 ARG A 41 -6.465 -7.262 -8.539 1.00 22.45 H new ATOM 0 HE ARG A 41 -4.897 -4.989 -9.416 1.00 51.11 H new ATOM 0 HH11 ARG A 41 -5.022 -8.527 -9.470 1.00 74.54 H new ATOM 0 HH12 ARG A 41 -4.053 -8.640 -10.942 1.00 74.54 H new ATOM 0 HH21 ARG A 41 -3.686 -5.152 -11.260 1.00 4.00 H new ATOM 0 HH22 ARG A 41 -3.299 -6.731 -11.951 1.00 4.00 H new ATOM 662 N LEU A 42 -10.445 -5.700 -5.166 1.00 43.24 N ATOM 663 CA LEU A 42 -11.412 -6.377 -4.324 1.00 32.14 C ATOM 664 C LEU A 42 -11.088 -7.866 -4.278 1.00 73.24 C ATOM 665 O LEU A 42 -10.442 -8.391 -5.203 1.00 41.12 O ATOM 666 CB LEU A 42 -12.860 -6.170 -4.839 1.00 22.34 C ATOM 667 CG LEU A 42 -13.495 -4.759 -4.746 1.00 34.32 C ATOM 668 CD1 LEU A 42 -13.510 -4.239 -3.328 1.00 63.34 C ATOM 669 CD2 LEU A 42 -12.819 -3.782 -5.663 1.00 1.00 C ATOM 0 H LEU A 42 -10.816 -5.385 -6.062 1.00 43.24 H new ATOM 0 HA LEU A 42 -11.350 -5.950 -3.323 1.00 32.14 H new ATOM 0 HB2 LEU A 42 -12.884 -6.473 -5.886 1.00 22.34 H new ATOM 0 HB3 LEU A 42 -13.505 -6.858 -4.293 1.00 22.34 H new ATOM 0 HG LEU A 42 -14.530 -4.862 -5.072 1.00 34.32 H new ATOM 0 HD11 LEU A 42 -13.963 -3.248 -3.309 1.00 63.34 H new ATOM 0 HD12 LEU A 42 -14.089 -4.915 -2.699 1.00 63.34 H new ATOM 0 HD13 LEU A 42 -12.489 -4.178 -2.952 1.00 63.34 H new ATOM 0 HD21 LEU A 42 -13.294 -2.805 -5.568 1.00 1.00 H new ATOM 0 HD22 LEU A 42 -11.765 -3.701 -5.396 1.00 1.00 H new ATOM 0 HD23 LEU A 42 -12.906 -4.129 -6.693 1.00 1.00 H new ATOM 681 N LYS A 43 -11.483 -8.522 -3.179 1.00 55.44 N ATOM 682 CA LYS A 43 -11.312 -9.967 -2.969 1.00 13.33 C ATOM 683 C LYS A 43 -11.678 -10.776 -4.216 1.00 70.31 C ATOM 684 O LYS A 43 -12.532 -10.349 -5.019 1.00 61.14 O ATOM 685 CB LYS A 43 -12.153 -10.404 -1.793 1.00 15.11 C ATOM 686 CG LYS A 43 -11.822 -9.663 -0.521 1.00 71.11 C ATOM 687 CD LYS A 43 -12.674 -10.110 0.649 1.00 33.42 C ATOM 688 CE LYS A 43 -12.230 -11.457 1.273 1.00 72.42 C ATOM 689 NZ LYS A 43 -12.232 -12.612 0.344 1.00 23.50 N ATOM 0 H LYS A 43 -11.939 -8.055 -2.395 1.00 55.44 H new ATOM 0 HA LYS A 43 -10.259 -10.158 -2.763 1.00 13.33 H new ATOM 0 HB2 LYS A 43 -13.206 -10.253 -2.031 1.00 15.11 H new ATOM 0 HB3 LYS A 43 -12.013 -11.473 -1.631 1.00 15.11 H new ATOM 0 HG2 LYS A 43 -10.770 -9.815 -0.279 1.00 71.11 H new ATOM 0 HG3 LYS A 43 -11.961 -8.594 -0.680 1.00 71.11 H new ATOM 0 HD2 LYS A 43 -12.649 -9.339 1.419 1.00 33.42 H new ATOM 0 HD3 LYS A 43 -13.709 -10.198 0.319 1.00 33.42 H new ATOM 0 HE2 LYS A 43 -11.225 -11.338 1.678 1.00 72.42 H new ATOM 0 HE3 LYS A 43 -12.887 -11.685 2.112 1.00 72.42 H new ATOM 0 HZ1 LYS A 43 -12.395 -13.488 0.880 1.00 23.50 H new ATOM 0 HZ2 LYS A 43 -12.989 -12.491 -0.359 1.00 23.50 H new ATOM 0 HZ3 LYS A 43 -11.314 -12.668 -0.142 1.00 23.50 H new ATOM 745 N ARG A 47 -13.058 -6.851 -9.264 1.00 24.42 N ATOM 746 CA ARG A 47 -11.919 -6.276 -9.975 1.00 41.10 C ATOM 747 C ARG A 47 -11.198 -5.195 -9.164 1.00 5.44 C ATOM 748 O ARG A 47 -11.346 -5.134 -7.946 1.00 71.34 O ATOM 749 CB ARG A 47 -12.308 -5.835 -11.429 1.00 21.15 C ATOM 750 CG ARG A 47 -13.486 -4.843 -11.633 1.00 35.13 C ATOM 751 CD ARG A 47 -13.201 -3.411 -11.168 1.00 62.30 C ATOM 752 NE ARG A 47 -14.287 -2.483 -11.563 1.00 60.12 N ATOM 753 CZ ARG A 47 -14.168 -1.129 -11.690 1.00 32.31 C ATOM 754 NH1 ARG A 47 -13.031 -0.505 -11.365 1.00 41.55 N ATOM 755 NH2 ARG A 47 -15.201 -0.415 -12.139 1.00 31.41 N ATOM 0 HA ARG A 47 -11.177 -7.066 -10.094 1.00 41.10 H new ATOM 0 HB2 ARG A 47 -11.423 -5.391 -11.884 1.00 21.15 H new ATOM 0 HB3 ARG A 47 -12.538 -6.738 -11.995 1.00 21.15 H new ATOM 0 HG2 ARG A 47 -13.747 -4.822 -12.691 1.00 35.13 H new ATOM 0 HG3 ARG A 47 -14.357 -5.219 -11.097 1.00 35.13 H new ATOM 0 HD2 ARG A 47 -13.085 -3.396 -10.084 1.00 62.30 H new ATOM 0 HD3 ARG A 47 -12.257 -3.070 -11.594 1.00 62.30 H new ATOM 0 HE ARG A 47 -15.202 -2.891 -11.757 1.00 60.12 H new ATOM 0 HH11 ARG A 47 -12.237 -1.041 -11.016 1.00 41.55 H new ATOM 0 HH12 ARG A 47 -12.958 0.507 -11.466 1.00 41.55 H new ATOM 0 HH21 ARG A 47 -16.074 -0.881 -12.385 1.00 31.41 H new ATOM 0 HH22 ARG A 47 -15.118 0.597 -12.236 1.00 31.41 H new ATOM 769 N GLN A 48 -10.398 -4.391 -9.828 1.00 21.24 N ATOM 770 CA GLN A 48 -9.619 -3.372 -9.159 1.00 42.32 C ATOM 771 C GLN A 48 -10.303 -2.007 -9.240 1.00 3.42 C ATOM 772 O GLN A 48 -10.825 -1.620 -10.285 1.00 71.11 O ATOM 773 CB GLN A 48 -8.181 -3.284 -9.737 1.00 25.32 C ATOM 774 CG GLN A 48 -8.063 -2.749 -11.166 1.00 63.31 C ATOM 775 CD GLN A 48 -8.700 -3.628 -12.223 1.00 15.42 C ATOM 776 OE1 GLN A 48 -8.750 -4.855 -12.102 1.00 71.12 O ATOM 777 NE2 GLN A 48 -9.218 -3.018 -13.232 1.00 53.12 N ATOM 0 H GLN A 48 -10.269 -4.424 -10.839 1.00 21.24 H new ATOM 0 HA GLN A 48 -9.549 -3.661 -8.110 1.00 42.32 H new ATOM 0 HB2 GLN A 48 -7.586 -2.648 -9.082 1.00 25.32 H new ATOM 0 HB3 GLN A 48 -7.737 -4.279 -9.705 1.00 25.32 H new ATOM 0 HG2 GLN A 48 -8.522 -1.761 -11.209 1.00 63.31 H new ATOM 0 HG3 GLN A 48 -7.007 -2.621 -11.406 1.00 63.31 H new ATOM 0 HE21 GLN A 48 -9.158 -2.002 -13.300 1.00 53.12 H new ATOM 0 HE22 GLN A 48 -9.688 -3.551 -13.964 1.00 53.12 H new ATOM 786 N VAL A 49 -10.303 -1.314 -8.136 1.00 14.45 N ATOM 787 CA VAL A 49 -10.880 0.007 -8.006 1.00 14.12 C ATOM 788 C VAL A 49 -9.857 0.920 -7.381 1.00 61.22 C ATOM 789 O VAL A 49 -8.902 0.454 -6.739 1.00 14.41 O ATOM 790 CB VAL A 49 -12.201 0.050 -7.175 1.00 53.13 C ATOM 791 CG1 VAL A 49 -13.275 -0.829 -7.803 1.00 44.04 C ATOM 792 CG2 VAL A 49 -11.962 -0.325 -5.709 1.00 25.33 C ATOM 0 H VAL A 49 -9.889 -1.659 -7.270 1.00 14.45 H new ATOM 0 HA VAL A 49 -11.151 0.334 -9.010 1.00 14.12 H new ATOM 0 HB VAL A 49 -12.561 1.079 -7.190 1.00 53.13 H new ATOM 0 HG11 VAL A 49 -14.183 -0.779 -7.202 1.00 44.04 H new ATOM 0 HG12 VAL A 49 -13.488 -0.478 -8.813 1.00 44.04 H new ATOM 0 HG13 VAL A 49 -12.923 -1.860 -7.844 1.00 44.04 H new ATOM 0 HG21 VAL A 49 -12.905 -0.283 -5.164 1.00 25.33 H new ATOM 0 HG22 VAL A 49 -11.555 -1.335 -5.653 1.00 25.33 H new ATOM 0 HG23 VAL A 49 -11.255 0.376 -5.265 1.00 25.33 H new ATOM 802 N CYS A 50 -10.018 2.167 -7.557 1.00 12.33 N ATOM 803 CA CYS A 50 -9.075 3.108 -7.065 1.00 14.21 C ATOM 804 C CYS A 50 -9.640 3.721 -5.828 1.00 52.12 C ATOM 805 O CYS A 50 -10.754 4.115 -5.812 1.00 20.43 O ATOM 806 CB CYS A 50 -8.867 4.158 -8.118 1.00 0.30 C ATOM 807 SG CYS A 50 -8.316 3.461 -9.705 1.00 12.23 S ATOM 0 H CYS A 50 -10.811 2.578 -8.049 1.00 12.33 H new ATOM 0 HA CYS A 50 -8.120 2.635 -6.834 1.00 14.21 H new ATOM 0 HB2 CYS A 50 -9.798 4.704 -8.269 1.00 0.30 H new ATOM 0 HB3 CYS A 50 -8.128 4.878 -7.766 1.00 0.30 H new ATOM 812 N ILE A 51 -8.894 3.760 -4.782 1.00 33.13 N ATOM 813 CA ILE A 51 -9.393 4.264 -3.551 1.00 60.33 C ATOM 814 C ILE A 51 -8.771 5.570 -3.147 1.00 43.14 C ATOM 815 O ILE A 51 -7.571 5.800 -3.319 1.00 42.12 O ATOM 816 CB ILE A 51 -9.259 3.206 -2.441 1.00 24.14 C ATOM 817 CG1 ILE A 51 -10.163 2.050 -2.774 1.00 40.11 C ATOM 818 CG2 ILE A 51 -9.591 3.768 -1.063 1.00 41.31 C ATOM 819 CD1 ILE A 51 -10.081 0.937 -1.809 1.00 33.15 C ATOM 0 H ILE A 51 -7.924 3.445 -4.754 1.00 33.13 H new ATOM 0 HA ILE A 51 -10.451 4.478 -3.704 1.00 60.33 H new ATOM 0 HB ILE A 51 -8.221 2.876 -2.397 1.00 24.14 H new ATOM 0 HG12 ILE A 51 -11.192 2.406 -2.818 1.00 40.11 H new ATOM 0 HG13 ILE A 51 -9.912 1.678 -3.767 1.00 40.11 H new ATOM 0 HG21 ILE A 51 -9.482 2.984 -0.314 1.00 41.31 H new ATOM 0 HG22 ILE A 51 -8.911 4.588 -0.831 1.00 41.31 H new ATOM 0 HG23 ILE A 51 -10.617 4.135 -1.057 1.00 41.31 H new ATOM 0 HD11 ILE A 51 -10.760 0.140 -2.114 1.00 33.15 H new ATOM 0 HD12 ILE A 51 -9.061 0.554 -1.781 1.00 33.15 H new ATOM 0 HD13 ILE A 51 -10.362 1.293 -0.818 1.00 33.15 H new ATOM 831 N ASP A 52 -9.623 6.428 -2.658 1.00 51.44 N ATOM 832 CA ASP A 52 -9.262 7.687 -2.082 1.00 14.33 C ATOM 833 C ASP A 52 -8.487 7.422 -0.793 1.00 2.31 C ATOM 834 O ASP A 52 -9.041 6.872 0.164 1.00 63.50 O ATOM 835 CB ASP A 52 -10.558 8.464 -1.787 1.00 24.24 C ATOM 836 CG ASP A 52 -10.357 9.795 -1.118 1.00 23.43 C ATOM 837 OD1 ASP A 52 -10.052 10.774 -1.813 1.00 50.10 O ATOM 838 OD2 ASP A 52 -10.562 9.877 0.103 1.00 65.53 O ATOM 0 H ASP A 52 -10.629 6.259 -2.651 1.00 51.44 H new ATOM 0 HA ASP A 52 -8.637 8.272 -2.757 1.00 14.33 H new ATOM 0 HB2 ASP A 52 -11.092 8.621 -2.724 1.00 24.24 H new ATOM 0 HB3 ASP A 52 -11.198 7.848 -1.155 1.00 24.24 H new ATOM 843 N PRO A 53 -7.182 7.784 -0.744 1.00 50.43 N ATOM 844 CA PRO A 53 -6.323 7.532 0.436 1.00 4.22 C ATOM 845 C PRO A 53 -6.753 8.345 1.640 1.00 2.04 C ATOM 846 O PRO A 53 -6.228 8.205 2.738 1.00 62.25 O ATOM 847 CB PRO A 53 -4.927 7.982 -0.014 1.00 11.20 C ATOM 848 CG PRO A 53 -5.148 8.870 -1.191 1.00 4.54 C ATOM 849 CD PRO A 53 -6.439 8.446 -1.835 1.00 62.04 C ATOM 0 HA PRO A 53 -6.371 6.488 0.744 1.00 4.22 H new ATOM 0 HB2 PRO A 53 -4.410 8.513 0.785 1.00 11.20 H new ATOM 0 HB3 PRO A 53 -4.307 7.126 -0.280 1.00 11.20 H new ATOM 0 HG2 PRO A 53 -5.198 9.914 -0.881 1.00 4.54 H new ATOM 0 HG3 PRO A 53 -4.321 8.786 -1.896 1.00 4.54 H new ATOM 0 HD2 PRO A 53 -6.988 9.301 -2.230 1.00 62.04 H new ATOM 0 HD3 PRO A 53 -6.265 7.766 -2.669 1.00 62.04 H new ATOM 857 N LYS A 54 -7.716 9.166 1.419 1.00 75.42 N ATOM 858 CA LYS A 54 -8.188 10.066 2.382 1.00 72.22 C ATOM 859 C LYS A 54 -9.492 9.554 3.017 1.00 41.54 C ATOM 860 O LYS A 54 -10.147 10.256 3.774 1.00 10.42 O ATOM 861 CB LYS A 54 -8.325 11.420 1.708 1.00 41.12 C ATOM 862 CG LYS A 54 -6.968 11.922 1.161 1.00 24.42 C ATOM 863 CD LYS A 54 -7.060 13.202 0.328 1.00 41.11 C ATOM 864 CE LYS A 54 -7.915 13.021 -0.907 1.00 10.21 C ATOM 865 NZ LYS A 54 -7.968 14.259 -1.708 1.00 4.43 N ATOM 0 H LYS A 54 -8.208 9.223 0.527 1.00 75.42 H new ATOM 0 HA LYS A 54 -7.492 10.163 3.215 1.00 72.22 H new ATOM 0 HB2 LYS A 54 -9.044 11.350 0.892 1.00 41.12 H new ATOM 0 HB3 LYS A 54 -8.721 12.144 2.420 1.00 41.12 H new ATOM 0 HG2 LYS A 54 -6.293 12.096 1.999 1.00 24.42 H new ATOM 0 HG3 LYS A 54 -6.522 11.136 0.551 1.00 24.42 H new ATOM 0 HD2 LYS A 54 -7.475 14.003 0.940 1.00 41.11 H new ATOM 0 HD3 LYS A 54 -6.058 13.513 0.032 1.00 41.11 H new ATOM 0 HE2 LYS A 54 -7.514 12.209 -1.514 1.00 10.21 H new ATOM 0 HE3 LYS A 54 -8.924 12.731 -0.614 1.00 10.21 H new ATOM 0 HZ1 LYS A 54 -8.561 14.104 -2.548 1.00 4.43 H new ATOM 0 HZ2 LYS A 54 -8.373 15.026 -1.135 1.00 4.43 H new ATOM 0 HZ3 LYS A 54 -7.007 14.521 -2.007 1.00 4.43 H new ATOM 879 N LEU A 55 -9.862 8.311 2.692 1.00 45.15 N ATOM 880 CA LEU A 55 -10.970 7.654 3.339 1.00 2.11 C ATOM 881 C LEU A 55 -10.661 7.400 4.777 1.00 50.04 C ATOM 882 O LEU A 55 -9.536 7.056 5.113 1.00 15.32 O ATOM 883 CB LEU A 55 -11.310 6.343 2.658 1.00 24.53 C ATOM 884 CG LEU A 55 -12.120 6.432 1.388 1.00 42.02 C ATOM 885 CD1 LEU A 55 -12.305 5.055 0.795 1.00 41.01 C ATOM 886 CD2 LEU A 55 -13.465 7.025 1.710 1.00 42.14 C ATOM 0 H LEU A 55 -9.398 7.748 1.979 1.00 45.15 H new ATOM 0 HA LEU A 55 -11.831 8.318 3.264 1.00 2.11 H new ATOM 0 HB2 LEU A 55 -10.378 5.825 2.432 1.00 24.53 H new ATOM 0 HB3 LEU A 55 -11.856 5.722 3.368 1.00 24.53 H new ATOM 0 HG LEU A 55 -11.598 7.060 0.666 1.00 42.02 H new ATOM 0 HD11 LEU A 55 -12.891 5.129 -0.121 1.00 41.01 H new ATOM 0 HD12 LEU A 55 -11.330 4.622 0.569 1.00 41.01 H new ATOM 0 HD13 LEU A 55 -12.827 4.419 1.509 1.00 41.01 H new ATOM 0 HD21 LEU A 55 -14.060 7.094 0.799 1.00 42.14 H new ATOM 0 HD22 LEU A 55 -13.979 6.390 2.432 1.00 42.14 H new ATOM 0 HD23 LEU A 55 -13.332 8.021 2.133 1.00 42.14 H new ATOM 898 N LYS A 56 -11.671 7.537 5.615 1.00 44.44 N ATOM 899 CA LYS A 56 -11.530 7.397 7.051 1.00 65.05 C ATOM 900 C LYS A 56 -10.903 6.052 7.422 1.00 13.33 C ATOM 901 O LYS A 56 -10.014 6.008 8.243 1.00 62.30 O ATOM 902 CB LYS A 56 -12.886 7.590 7.745 1.00 74.02 C ATOM 903 CG LYS A 56 -12.837 7.697 9.272 1.00 52.22 C ATOM 904 CD LYS A 56 -11.968 8.880 9.723 1.00 54.54 C ATOM 905 CE LYS A 56 -12.067 9.139 11.231 1.00 1.22 C ATOM 906 NZ LYS A 56 -11.693 7.967 12.047 1.00 23.12 N ATOM 0 H LYS A 56 -12.622 7.751 5.314 1.00 44.44 H new ATOM 0 HA LYS A 56 -10.853 8.176 7.402 1.00 65.05 H new ATOM 0 HB2 LYS A 56 -13.351 8.493 7.350 1.00 74.02 H new ATOM 0 HB3 LYS A 56 -13.533 6.755 7.478 1.00 74.02 H new ATOM 0 HG2 LYS A 56 -13.848 7.816 9.663 1.00 52.22 H new ATOM 0 HG3 LYS A 56 -12.441 6.772 9.691 1.00 52.22 H new ATOM 0 HD2 LYS A 56 -10.929 8.685 9.458 1.00 54.54 H new ATOM 0 HD3 LYS A 56 -12.272 9.777 9.183 1.00 54.54 H new ATOM 0 HE2 LYS A 56 -11.421 9.977 11.493 1.00 1.22 H new ATOM 0 HE3 LYS A 56 -13.087 9.434 11.476 1.00 1.22 H new ATOM 0 HZ1 LYS A 56 -11.796 8.199 13.056 1.00 23.12 H new ATOM 0 HZ2 LYS A 56 -12.314 7.167 11.810 1.00 23.12 H new ATOM 0 HZ3 LYS A 56 -10.705 7.708 11.851 1.00 23.12 H new ATOM 920 N TRP A 57 -11.338 4.965 6.783 1.00 51.22 N ATOM 921 CA TRP A 57 -10.753 3.662 7.084 1.00 41.44 C ATOM 922 C TRP A 57 -9.323 3.544 6.571 1.00 71.21 C ATOM 923 O TRP A 57 -8.528 2.823 7.144 1.00 64.23 O ATOM 924 CB TRP A 57 -11.617 2.472 6.635 1.00 73.10 C ATOM 925 CG TRP A 57 -11.921 2.392 5.171 1.00 32.13 C ATOM 926 CD1 TRP A 57 -12.900 3.055 4.500 1.00 31.52 C ATOM 927 CD2 TRP A 57 -11.257 1.569 4.209 1.00 52.53 C ATOM 928 NE1 TRP A 57 -12.886 2.695 3.181 1.00 73.32 N ATOM 929 CE2 TRP A 57 -11.883 1.783 2.974 1.00 30.34 C ATOM 930 CE3 TRP A 57 -10.190 0.672 4.278 1.00 61.23 C ATOM 931 CZ2 TRP A 57 -11.476 1.127 1.813 1.00 3.13 C ATOM 932 CZ3 TRP A 57 -9.789 0.026 3.134 1.00 61.01 C ATOM 933 CH2 TRP A 57 -10.433 0.255 1.918 1.00 41.21 C ATOM 0 H TRP A 57 -12.072 4.960 6.074 1.00 51.22 H new ATOM 0 HA TRP A 57 -10.721 3.608 8.172 1.00 41.44 H new ATOM 0 HB2 TRP A 57 -11.114 1.552 6.931 1.00 73.10 H new ATOM 0 HB3 TRP A 57 -12.561 2.509 7.180 1.00 73.10 H new ATOM 0 HD1 TRP A 57 -13.587 3.761 4.943 1.00 31.52 H new ATOM 0 HE1 TRP A 57 -13.521 3.049 2.465 1.00 73.32 H new ATOM 0 HE3 TRP A 57 -9.687 0.489 5.216 1.00 61.23 H new ATOM 0 HZ2 TRP A 57 -11.968 1.303 0.868 1.00 3.13 H new ATOM 0 HZ3 TRP A 57 -8.963 -0.669 3.177 1.00 61.01 H new ATOM 0 HH2 TRP A 57 -10.097 -0.272 1.037 1.00 41.21 H new ATOM 944 N ILE A 58 -8.992 4.265 5.500 1.00 15.21 N ATOM 945 CA ILE A 58 -7.613 4.284 5.024 1.00 42.51 C ATOM 946 C ILE A 58 -6.772 5.052 6.040 1.00 14.24 C ATOM 947 O ILE A 58 -5.687 4.613 6.408 1.00 11.21 O ATOM 948 CB ILE A 58 -7.444 4.918 3.596 1.00 61.13 C ATOM 949 CG1 ILE A 58 -8.190 4.100 2.514 1.00 72.03 C ATOM 950 CG2 ILE A 58 -5.960 5.024 3.236 1.00 1.45 C ATOM 951 CD1 ILE A 58 -7.650 2.696 2.317 1.00 53.03 C ATOM 0 H ILE A 58 -9.644 4.831 4.957 1.00 15.21 H new ATOM 0 HA ILE A 58 -7.281 3.250 4.928 1.00 42.51 H new ATOM 0 HB ILE A 58 -7.883 5.915 3.625 1.00 61.13 H new ATOM 0 HG12 ILE A 58 -9.244 4.038 2.783 1.00 72.03 H new ATOM 0 HG13 ILE A 58 -8.134 4.635 1.566 1.00 72.03 H new ATOM 0 HG21 ILE A 58 -5.857 5.465 2.244 1.00 1.45 H new ATOM 0 HG22 ILE A 58 -5.452 5.653 3.967 1.00 1.45 H new ATOM 0 HG23 ILE A 58 -5.513 4.030 3.240 1.00 1.45 H new ATOM 0 HD11 ILE A 58 -8.226 2.190 1.543 1.00 53.03 H new ATOM 0 HD12 ILE A 58 -6.604 2.748 2.015 1.00 53.03 H new ATOM 0 HD13 ILE A 58 -7.731 2.141 3.251 1.00 53.03 H new ATOM 963 N GLN A 59 -7.325 6.187 6.519 1.00 63.54 N ATOM 964 CA GLN A 59 -6.690 7.016 7.557 1.00 40.54 C ATOM 965 C GLN A 59 -6.366 6.127 8.760 1.00 61.44 C ATOM 966 O GLN A 59 -5.234 6.075 9.231 1.00 11.01 O ATOM 967 CB GLN A 59 -7.664 8.124 8.034 1.00 0.44 C ATOM 968 CG GLN A 59 -8.196 9.077 6.956 1.00 53.31 C ATOM 969 CD GLN A 59 -7.155 9.996 6.370 1.00 52.42 C ATOM 970 OE1 GLN A 59 -6.948 11.104 6.866 1.00 74.21 O ATOM 971 NE2 GLN A 59 -6.510 9.573 5.316 1.00 22.43 N ATOM 0 H GLN A 59 -8.222 6.550 6.196 1.00 63.54 H new ATOM 0 HA GLN A 59 -5.790 7.472 7.144 1.00 40.54 H new ATOM 0 HB2 GLN A 59 -8.516 7.645 8.517 1.00 0.44 H new ATOM 0 HB3 GLN A 59 -7.159 8.718 8.796 1.00 0.44 H new ATOM 0 HG2 GLN A 59 -8.637 8.487 6.152 1.00 53.31 H new ATOM 0 HG3 GLN A 59 -8.996 9.680 7.384 1.00 53.31 H new ATOM 0 HE21 GLN A 59 -6.709 8.649 4.933 1.00 22.43 H new ATOM 0 HE22 GLN A 59 -5.807 10.167 4.876 1.00 22.43 H new ATOM 980 N GLU A 60 -7.382 5.391 9.202 1.00 33.00 N ATOM 981 CA GLU A 60 -7.278 4.490 10.327 1.00 5.22 C ATOM 982 C GLU A 60 -6.257 3.400 10.074 1.00 73.21 C ATOM 983 O GLU A 60 -5.427 3.102 10.938 1.00 15.04 O ATOM 984 CB GLU A 60 -8.622 3.826 10.593 1.00 23.40 C ATOM 985 CG GLU A 60 -9.755 4.762 10.955 1.00 34.50 C ATOM 986 CD GLU A 60 -9.484 5.537 12.197 1.00 61.31 C ATOM 987 OE1 GLU A 60 -9.431 4.929 13.291 1.00 74.02 O ATOM 988 OE2 GLU A 60 -9.341 6.771 12.122 1.00 12.43 O ATOM 0 H GLU A 60 -8.309 5.410 8.778 1.00 33.00 H new ATOM 0 HA GLU A 60 -6.965 5.083 11.186 1.00 5.22 H new ATOM 0 HB2 GLU A 60 -8.910 3.262 9.706 1.00 23.40 H new ATOM 0 HB3 GLU A 60 -8.497 3.106 11.402 1.00 23.40 H new ATOM 0 HG2 GLU A 60 -9.927 5.453 10.130 1.00 34.50 H new ATOM 0 HG3 GLU A 60 -10.671 4.185 11.084 1.00 34.50 H new ATOM 995 N TYR A 61 -6.337 2.794 8.905 1.00 3.45 N ATOM 996 CA TYR A 61 -5.486 1.684 8.543 1.00 32.11 C ATOM 997 C TYR A 61 -4.022 2.111 8.554 1.00 42.35 C ATOM 998 O TYR A 61 -3.171 1.440 9.159 1.00 4.32 O ATOM 999 CB TYR A 61 -5.897 1.140 7.170 1.00 25.25 C ATOM 1000 CG TYR A 61 -5.243 -0.157 6.790 1.00 74.31 C ATOM 1001 CD1 TYR A 61 -5.740 -1.357 7.275 1.00 44.13 C ATOM 1002 CD2 TYR A 61 -4.140 -0.193 5.953 1.00 44.34 C ATOM 1003 CE1 TYR A 61 -5.162 -2.555 6.941 1.00 34.24 C ATOM 1004 CE2 TYR A 61 -3.550 -1.390 5.611 1.00 42.25 C ATOM 1005 CZ TYR A 61 -4.064 -2.569 6.108 1.00 23.32 C ATOM 1006 OH TYR A 61 -3.475 -3.765 5.774 1.00 4.30 O ATOM 0 H TYR A 61 -7.000 3.062 8.177 1.00 3.45 H new ATOM 0 HA TYR A 61 -5.604 0.887 9.277 1.00 32.11 H new ATOM 0 HB2 TYR A 61 -6.978 1.004 7.157 1.00 25.25 H new ATOM 0 HB3 TYR A 61 -5.660 1.887 6.412 1.00 25.25 H new ATOM 0 HD1 TYR A 61 -6.600 -1.348 7.929 1.00 44.13 H new ATOM 0 HD2 TYR A 61 -3.737 0.730 5.563 1.00 44.34 H new ATOM 0 HE1 TYR A 61 -5.564 -3.480 7.328 1.00 34.24 H new ATOM 0 HE2 TYR A 61 -2.690 -1.405 4.958 1.00 42.25 H new ATOM 0 HH TYR A 61 -2.508 -3.707 5.925 1.00 4.30 H new ATOM 1016 N LEU A 62 -3.739 3.233 7.902 1.00 64.34 N ATOM 1017 CA LEU A 62 -2.391 3.791 7.874 1.00 50.35 C ATOM 1018 C LEU A 62 -1.903 4.107 9.281 1.00 5.33 C ATOM 1019 O LEU A 62 -0.813 3.687 9.659 1.00 1.31 O ATOM 1020 CB LEU A 62 -2.331 5.057 7.014 1.00 24.03 C ATOM 1021 CG LEU A 62 -2.781 4.913 5.564 1.00 53.21 C ATOM 1022 CD1 LEU A 62 -2.682 6.242 4.836 1.00 5.41 C ATOM 1023 CD2 LEU A 62 -1.990 3.840 4.832 1.00 24.33 C ATOM 0 H LEU A 62 -4.429 3.777 7.383 1.00 64.34 H new ATOM 0 HA LEU A 62 -1.739 3.037 7.432 1.00 50.35 H new ATOM 0 HB2 LEU A 62 -2.946 5.822 7.488 1.00 24.03 H new ATOM 0 HB3 LEU A 62 -1.305 5.425 7.018 1.00 24.03 H new ATOM 0 HG LEU A 62 -3.825 4.600 5.576 1.00 53.21 H new ATOM 0 HD11 LEU A 62 -3.008 6.116 3.803 1.00 5.41 H new ATOM 0 HD12 LEU A 62 -3.318 6.976 5.331 1.00 5.41 H new ATOM 0 HD13 LEU A 62 -1.649 6.589 4.851 1.00 5.41 H new ATOM 0 HD21 LEU A 62 -2.341 3.768 3.802 1.00 24.33 H new ATOM 0 HD22 LEU A 62 -0.932 4.101 4.838 1.00 24.33 H new ATOM 0 HD23 LEU A 62 -2.130 2.881 5.331 1.00 24.33 H new ATOM 1035 N GLU A 63 -2.719 4.842 10.062 1.00 72.34 N ATOM 1036 CA GLU A 63 -2.344 5.185 11.459 1.00 11.31 C ATOM 1037 C GLU A 63 -1.959 3.960 12.332 1.00 32.01 C ATOM 1038 O GLU A 63 -1.049 4.061 13.163 1.00 55.20 O ATOM 1039 CB GLU A 63 -3.410 6.024 12.188 1.00 21.12 C ATOM 1040 CG GLU A 63 -3.646 7.411 11.616 1.00 43.25 C ATOM 1041 CD GLU A 63 -4.477 8.279 12.539 1.00 54.41 C ATOM 1042 OE1 GLU A 63 -5.640 7.940 12.823 1.00 2.33 O ATOM 1043 OE2 GLU A 63 -3.948 9.295 13.044 1.00 61.25 O ATOM 0 H GLU A 63 -3.624 5.206 9.763 1.00 72.34 H new ATOM 0 HA GLU A 63 -1.449 5.795 11.336 1.00 11.31 H new ATOM 0 HB2 GLU A 63 -4.353 5.477 12.172 1.00 21.12 H new ATOM 0 HB3 GLU A 63 -3.117 6.125 13.233 1.00 21.12 H new ATOM 0 HG2 GLU A 63 -2.686 7.894 11.433 1.00 43.25 H new ATOM 0 HG3 GLU A 63 -4.148 7.324 10.653 1.00 43.25 H new ATOM 1050 N LYS A 64 -2.628 2.826 12.152 1.00 1.42 N ATOM 1051 CA LYS A 64 -2.313 1.648 12.954 1.00 35.02 C ATOM 1052 C LYS A 64 -1.187 0.787 12.409 1.00 4.22 C ATOM 1053 O LYS A 64 -0.321 0.350 13.171 1.00 62.41 O ATOM 1054 CB LYS A 64 -3.527 0.836 13.273 1.00 12.42 C ATOM 1055 CG LYS A 64 -4.347 0.396 12.110 1.00 54.54 C ATOM 1056 CD LYS A 64 -5.483 -0.415 12.603 1.00 63.43 C ATOM 1057 CE LYS A 64 -6.437 0.387 13.490 1.00 12.11 C ATOM 1058 NZ LYS A 64 -7.026 1.557 12.804 1.00 75.33 N ATOM 0 H LYS A 64 -3.377 2.697 11.472 1.00 1.42 H new ATOM 0 HA LYS A 64 -1.928 2.055 13.889 1.00 35.02 H new ATOM 0 HB2 LYS A 64 -3.212 -0.050 13.825 1.00 12.42 H new ATOM 0 HB3 LYS A 64 -4.163 1.418 13.940 1.00 12.42 H new ATOM 0 HG2 LYS A 64 -4.713 1.262 11.558 1.00 54.54 H new ATOM 0 HG3 LYS A 64 -3.739 -0.188 11.419 1.00 54.54 H new ATOM 0 HD2 LYS A 64 -6.034 -0.816 11.753 1.00 63.43 H new ATOM 0 HD3 LYS A 64 -5.100 -1.267 13.165 1.00 63.43 H new ATOM 0 HE2 LYS A 64 -7.239 -0.266 13.833 1.00 12.11 H new ATOM 0 HE3 LYS A 64 -5.900 0.726 14.376 1.00 12.11 H new ATOM 0 HZ1 LYS A 64 -7.662 2.058 13.457 1.00 75.33 H new ATOM 0 HZ2 LYS A 64 -6.267 2.199 12.499 1.00 75.33 H new ATOM 0 HZ3 LYS A 64 -7.564 1.238 11.973 1.00 75.33 H new ATOM 1072 N CYS A 65 -1.174 0.553 11.098 1.00 21.10 N ATOM 1073 CA CYS A 65 -0.105 -0.253 10.472 1.00 5.21 C ATOM 1074 C CYS A 65 1.257 0.441 10.639 1.00 70.02 C ATOM 1075 O CYS A 65 2.307 -0.209 10.643 1.00 45.43 O ATOM 1076 CB CYS A 65 -0.409 -0.541 8.973 1.00 21.54 C ATOM 1077 SG CYS A 65 0.895 -1.492 8.075 1.00 53.40 S ATOM 0 H CYS A 65 -1.878 0.901 10.448 1.00 21.10 H new ATOM 0 HA CYS A 65 -0.066 -1.215 10.983 1.00 5.21 H new ATOM 0 HB2 CYS A 65 -1.347 -1.092 8.908 1.00 21.54 H new ATOM 0 HB3 CYS A 65 -0.561 0.409 8.461 1.00 21.54 H new ATOM 1082 N LEU A 66 1.201 1.759 10.832 1.00 21.14 N ATOM 1083 CA LEU A 66 2.348 2.617 11.031 1.00 14.10 C ATOM 1084 C LEU A 66 3.223 2.092 12.186 1.00 42.41 C ATOM 1085 O LEU A 66 4.441 2.066 12.090 1.00 41.41 O ATOM 1086 CB LEU A 66 1.800 4.050 11.328 1.00 24.13 C ATOM 1087 CG LEU A 66 2.769 5.252 11.358 1.00 43.55 C ATOM 1088 CD1 LEU A 66 3.724 5.220 12.518 1.00 53.51 C ATOM 1089 CD2 LEU A 66 3.521 5.337 10.063 1.00 65.42 C ATOM 0 H LEU A 66 0.318 2.268 10.853 1.00 21.14 H new ATOM 0 HA LEU A 66 2.984 2.636 10.146 1.00 14.10 H new ATOM 0 HB2 LEU A 66 1.036 4.267 10.581 1.00 24.13 H new ATOM 0 HB3 LEU A 66 1.299 4.012 12.295 1.00 24.13 H new ATOM 0 HG LEU A 66 2.157 6.144 11.491 1.00 43.55 H new ATOM 0 HD11 LEU A 66 4.375 6.093 12.477 1.00 53.51 H new ATOM 0 HD12 LEU A 66 3.162 5.229 13.452 1.00 53.51 H new ATOM 0 HD13 LEU A 66 4.328 4.314 12.467 1.00 53.51 H new ATOM 0 HD21 LEU A 66 4.202 6.188 10.093 1.00 65.42 H new ATOM 0 HD22 LEU A 66 4.091 4.420 9.913 1.00 65.42 H new ATOM 0 HD23 LEU A 66 2.817 5.465 9.241 1.00 65.42 H new ATOM 1101 N ASN A 67 2.595 1.639 13.244 1.00 64.13 N ATOM 1102 CA ASN A 67 3.335 1.193 14.424 1.00 1.52 C ATOM 1103 C ASN A 67 3.627 -0.299 14.378 1.00 21.44 C ATOM 1104 O ASN A 67 4.157 -0.868 15.343 1.00 63.04 O ATOM 1105 CB ASN A 67 2.575 1.538 15.718 1.00 55.25 C ATOM 1106 CG ASN A 67 2.385 3.031 15.930 1.00 11.41 C ATOM 1107 OD1 ASN A 67 1.393 3.618 15.486 1.00 54.43 O ATOM 1108 ND2 ASN A 67 3.317 3.658 16.607 1.00 71.12 N ATOM 0 H ASN A 67 1.581 1.565 13.323 1.00 64.13 H new ATOM 0 HA ASN A 67 4.286 1.725 14.420 1.00 1.52 H new ATOM 0 HB2 ASN A 67 1.598 1.055 15.696 1.00 55.25 H new ATOM 0 HB3 ASN A 67 3.116 1.124 16.569 1.00 55.25 H new ATOM 0 HD21 ASN A 67 3.235 4.660 16.780 1.00 71.12 H new ATOM 0 HD22 ASN A 67 4.124 3.144 16.960 1.00 71.12 H new ATOM 1404 N GLY B 119 -13.495 6.022 -10.895 1.00 43.54 N ATOM 1405 CA GLY B 119 -14.705 6.797 -10.850 1.00 4.05 C ATOM 1406 C GLY B 119 -15.898 5.924 -10.656 1.00 3.23 C ATOM 1407 O GLY B 119 -16.873 6.016 -11.406 1.00 72.35 O ATOM 0 HA2 GLY B 119 -14.646 7.522 -10.038 1.00 4.05 H new ATOM 0 HA3 GLY B 119 -14.812 7.363 -11.775 1.00 4.05 H new ATOM 1411 N ASP B 120 -15.848 5.089 -9.652 1.00 64.05 N ATOM 1412 CA ASP B 120 -16.899 4.117 -9.449 1.00 52.21 C ATOM 1413 C ASP B 120 -17.791 4.425 -8.258 1.00 24.11 C ATOM 1414 O ASP B 120 -18.848 5.038 -8.414 1.00 15.31 O ATOM 1415 CB ASP B 120 -16.306 2.738 -9.339 1.00 2.43 C ATOM 1416 CG ASP B 120 -17.358 1.635 -9.303 1.00 34.30 C ATOM 1417 OD1 ASP B 120 -17.827 1.212 -10.374 1.00 10.43 O ATOM 1418 OD2 ASP B 120 -17.721 1.176 -8.214 1.00 61.42 O ATOM 0 H ASP B 120 -15.096 5.059 -8.963 1.00 64.05 H new ATOM 0 HA ASP B 120 -17.550 4.167 -10.322 1.00 52.21 H new ATOM 0 HB2 ASP B 120 -15.639 2.568 -10.184 1.00 2.43 H new ATOM 0 HB3 ASP B 120 -15.698 2.682 -8.436 1.00 2.43 H new ATOM 1447 N ASP B 122 -18.915 6.525 -5.959 1.00 25.32 N ATOM 1448 CA ASP B 122 -18.943 7.981 -5.710 1.00 13.12 C ATOM 1449 C ASP B 122 -17.711 8.649 -6.254 1.00 2.21 C ATOM 1450 O ASP B 122 -17.794 9.448 -7.176 1.00 23.00 O ATOM 1451 CB ASP B 122 -19.157 8.336 -4.252 1.00 74.24 C ATOM 1452 CG ASP B 122 -20.534 7.985 -3.768 1.00 51.45 C ATOM 1453 OD1 ASP B 122 -21.455 8.815 -3.934 1.00 65.11 O ATOM 1454 OD2 ASP B 122 -20.720 6.880 -3.228 1.00 20.35 O ATOM 0 HA ASP B 122 -19.811 8.363 -6.247 1.00 13.12 H new ATOM 0 HB2 ASP B 122 -18.418 7.815 -3.643 1.00 74.24 H new ATOM 0 HB3 ASP B 122 -18.989 9.404 -4.113 1.00 74.24 H new ATOM 1459 N SER B 123 -16.585 8.327 -5.649 1.00 41.35 N ATOM 1460 CA SER B 123 -15.285 8.700 -6.121 1.00 22.23 C ATOM 1461 C SER B 123 -15.011 10.241 -6.043 1.00 5.15 C ATOM 1462 O SER B 123 -14.261 10.804 -6.837 1.00 54.52 O ATOM 1463 CB SER B 123 -15.076 8.020 -7.529 1.00 20.14 C ATOM 1464 OG SER B 123 -13.823 8.276 -8.110 1.00 52.42 O ATOM 0 H SER B 123 -16.559 7.781 -4.788 1.00 41.35 H new ATOM 0 HA SER B 123 -14.508 8.322 -5.457 1.00 22.23 H new ATOM 0 HB2 SER B 123 -15.201 6.943 -7.422 1.00 20.14 H new ATOM 0 HB3 SER B 123 -15.856 8.366 -8.207 1.00 20.14 H new ATOM 0 HG SER B 123 -13.387 7.427 -8.334 1.00 52.42 H new ATOM 1470 N MET B 124 -15.593 10.892 -5.010 1.00 74.25 N ATOM 1471 CA MET B 124 -15.355 12.333 -4.704 1.00 73.21 C ATOM 1472 C MET B 124 -15.579 12.593 -3.200 1.00 23.50 C ATOM 1473 O MET B 124 -16.734 12.588 -2.756 1.00 34.33 O ATOM 1474 CB MET B 124 -16.312 13.260 -5.502 1.00 23.32 C ATOM 1475 CG MET B 124 -16.130 13.256 -7.011 1.00 44.42 C ATOM 1476 SD MET B 124 -17.307 14.327 -7.869 1.00 64.24 S ATOM 1477 CE MET B 124 -18.863 13.547 -7.426 1.00 42.02 C ATOM 0 H MET B 124 -16.240 10.440 -4.363 1.00 74.25 H new ATOM 0 HA MET B 124 -14.327 12.556 -4.990 1.00 73.21 H new ATOM 0 HB2 MET B 124 -17.339 12.970 -5.278 1.00 23.32 H new ATOM 0 HB3 MET B 124 -16.183 14.281 -5.142 1.00 23.32 H new ATOM 0 HG2 MET B 124 -15.116 13.576 -7.250 1.00 44.42 H new ATOM 0 HG3 MET B 124 -16.238 12.237 -7.382 1.00 44.42 H new ATOM 0 HE1 MET B 124 -19.639 13.862 -8.123 1.00 42.02 H new ATOM 0 HE2 MET B 124 -18.753 12.464 -7.471 1.00 42.02 H new ATOM 0 HE3 MET B 124 -19.143 13.842 -6.415 1.00 42.02 H new ATOM 1487 N LYS B 125 -14.477 12.766 -2.412 1.00 2.01 N ATOM 1488 CA LYS B 125 -14.529 13.042 -0.970 1.00 24.02 C ATOM 1489 C LYS B 125 -13.073 13.076 -0.454 1.00 33.05 C ATOM 1490 O LYS B 125 -12.277 12.287 -0.895 1.00 11.41 O ATOM 1491 CB LYS B 125 -15.279 11.886 -0.331 1.00 3.42 C ATOM 1492 CG LYS B 125 -15.763 12.053 1.061 1.00 74.11 C ATOM 1493 CD LYS B 125 -14.677 12.025 2.110 1.00 21.03 C ATOM 1494 CE LYS B 125 -13.918 10.679 2.287 1.00 4.44 C ATOM 1495 NZ LYS B 125 -13.067 10.283 1.115 1.00 55.22 N ATOM 0 H LYS B 125 -13.526 12.714 -2.777 1.00 2.01 H new ATOM 0 HA LYS B 125 -15.022 13.986 -0.739 1.00 24.02 H new ATOM 0 HB2 LYS B 125 -16.141 11.660 -0.959 1.00 3.42 H new ATOM 0 HB3 LYS B 125 -14.628 11.012 -0.355 1.00 3.42 H new ATOM 0 HG2 LYS B 125 -16.298 13.000 1.135 1.00 74.11 H new ATOM 0 HG3 LYS B 125 -16.482 11.263 1.279 1.00 74.11 H new ATOM 0 HD2 LYS B 125 -13.948 12.798 1.867 1.00 21.03 H new ATOM 0 HD3 LYS B 125 -15.121 12.295 3.068 1.00 21.03 H new ATOM 0 HE2 LYS B 125 -13.285 10.747 3.172 1.00 4.44 H new ATOM 0 HE3 LYS B 125 -14.645 9.889 2.475 1.00 4.44 H new ATOM 0 HZ1 LYS B 125 -12.264 9.712 1.447 1.00 55.22 H new ATOM 0 HZ2 LYS B 125 -13.635 9.726 0.446 1.00 55.22 H new ATOM 0 HZ3 LYS B 125 -12.712 11.137 0.640 1.00 55.22 H new ATOM 1509 N GLU B 126 -12.756 13.945 0.493 1.00 71.31 N ATOM 1510 CA GLU B 126 -11.374 14.046 1.026 1.00 61.11 C ATOM 1511 C GLU B 126 -11.337 13.679 2.574 1.00 45.55 C ATOM 1512 O GLU B 126 -12.372 13.372 3.097 1.00 13.53 O ATOM 1513 CB GLU B 126 -10.745 15.392 0.633 1.00 54.23 C ATOM 1514 CG GLU B 126 -11.384 16.632 1.202 1.00 75.24 C ATOM 1515 CD GLU B 126 -10.679 17.861 0.698 1.00 54.21 C ATOM 1516 OE1 GLU B 126 -9.592 18.191 1.221 1.00 1.35 O ATOM 1517 OE2 GLU B 126 -11.172 18.488 -0.259 1.00 1.04 O ATOM 0 H GLU B 126 -13.420 14.593 0.917 1.00 71.31 H new ATOM 0 HA GLU B 126 -10.729 13.299 0.563 1.00 61.11 H new ATOM 0 HB2 GLU B 126 -9.698 15.379 0.937 1.00 54.23 H new ATOM 0 HB3 GLU B 126 -10.761 15.470 -0.454 1.00 54.23 H new ATOM 0 HG2 GLU B 126 -12.437 16.668 0.922 1.00 75.24 H new ATOM 0 HG3 GLU B 126 -11.345 16.603 2.291 1.00 75.24 H new ATOM 1524 N PRO B 127 -10.165 13.742 3.347 1.00 43.24 N ATOM 1525 CA PRO B 127 -10.050 13.054 4.669 1.00 35.01 C ATOM 1526 C PRO B 127 -11.133 13.337 5.674 1.00 4.45 C ATOM 1527 O PRO B 127 -11.635 12.414 6.343 1.00 71.32 O ATOM 1528 CB PRO B 127 -8.687 13.495 5.210 1.00 24.42 C ATOM 1529 CG PRO B 127 -8.369 14.730 4.458 1.00 32.24 C ATOM 1530 CD PRO B 127 -8.933 14.516 3.087 1.00 4.05 C ATOM 0 HA PRO B 127 -10.157 11.981 4.512 1.00 35.01 H new ATOM 0 HB2 PRO B 127 -8.728 13.684 6.283 1.00 24.42 H new ATOM 0 HB3 PRO B 127 -7.930 12.727 5.050 1.00 24.42 H new ATOM 0 HG2 PRO B 127 -8.813 15.605 4.933 1.00 32.24 H new ATOM 0 HG3 PRO B 127 -7.293 14.900 4.418 1.00 32.24 H new ATOM 0 HD2 PRO B 127 -9.149 15.461 2.588 1.00 4.05 H new ATOM 0 HD3 PRO B 127 -8.241 13.968 2.447 1.00 4.05 H new ATOM 1855 N CYS C 209 0.264 -15.557 4.954 1.00 71.05 N ATOM 1856 CA CYS C 209 0.791 -14.247 4.731 1.00 70.42 C ATOM 1857 C CYS C 209 1.670 -14.385 3.497 1.00 11.43 C ATOM 1858 O CYS C 209 2.428 -15.356 3.415 1.00 41.15 O ATOM 1859 CB CYS C 209 1.650 -13.796 5.930 1.00 53.11 C ATOM 1860 SG CYS C 209 0.784 -13.802 7.526 1.00 70.22 S ATOM 0 HA CYS C 209 -0.001 -13.508 4.605 1.00 70.42 H new ATOM 0 HB2 CYS C 209 2.521 -14.448 6.002 1.00 53.11 H new ATOM 0 HB3 CYS C 209 2.020 -12.789 5.736 1.00 53.11 H new ATOM 1865 N PRO C 210 1.568 -13.472 2.498 1.00 63.04 N ATOM 1866 CA PRO C 210 2.394 -13.551 1.288 1.00 72.10 C ATOM 1867 C PRO C 210 3.867 -13.598 1.658 1.00 40.23 C ATOM 1868 O PRO C 210 4.570 -14.550 1.344 1.00 71.24 O ATOM 1869 CB PRO C 210 2.061 -12.256 0.517 1.00 4.22 C ATOM 1870 CG PRO C 210 1.319 -11.398 1.492 1.00 54.14 C ATOM 1871 CD PRO C 210 0.656 -12.332 2.460 1.00 20.43 C ATOM 0 HA PRO C 210 2.196 -14.446 0.698 1.00 72.10 H new ATOM 0 HB2 PRO C 210 2.968 -11.762 0.168 1.00 4.22 H new ATOM 0 HB3 PRO C 210 1.454 -12.467 -0.363 1.00 4.22 H new ATOM 0 HG2 PRO C 210 1.999 -10.721 2.009 1.00 54.14 H new ATOM 0 HG3 PRO C 210 0.581 -10.780 0.982 1.00 54.14 H new ATOM 0 HD2 PRO C 210 0.539 -11.877 3.443 1.00 20.43 H new ATOM 0 HD3 PRO C 210 -0.339 -12.623 2.123 1.00 20.43 H new ATOM 1879 N CYS C 211 4.303 -12.592 2.347 1.00 32.04 N ATOM 1880 CA CYS C 211 5.634 -12.531 2.836 1.00 24.25 C ATOM 1881 C CYS C 211 5.652 -12.951 4.288 1.00 75.41 C ATOM 1882 O CYS C 211 5.000 -12.322 5.126 1.00 13.43 O ATOM 1883 CB CYS C 211 6.165 -11.122 2.689 1.00 4.22 C ATOM 1884 SG CYS C 211 6.092 -10.504 0.987 1.00 30.43 S ATOM 0 H CYS C 211 3.733 -11.781 2.587 1.00 32.04 H new ATOM 0 HA CYS C 211 6.269 -13.206 2.262 1.00 24.25 H new ATOM 0 HB2 CYS C 211 5.593 -10.456 3.335 1.00 4.22 H new ATOM 0 HB3 CYS C 211 7.198 -11.092 3.035 1.00 4.22 H new ATOM 1889 N ARG C 212 6.339 -14.038 4.581 1.00 14.22 N ATOM 1890 CA ARG C 212 6.498 -14.475 5.958 1.00 34.22 C ATOM 1891 C ARG C 212 7.600 -13.610 6.562 1.00 34.43 C ATOM 1892 O ARG C 212 7.542 -13.217 7.718 1.00 4.01 O ATOM 1893 CB ARG C 212 6.874 -15.989 5.985 1.00 35.21 C ATOM 1894 CG ARG C 212 6.833 -16.726 7.353 1.00 22.41 C ATOM 1895 CD ARG C 212 7.867 -16.237 8.370 1.00 35.25 C ATOM 1896 NE ARG C 212 7.852 -17.059 9.588 1.00 65.23 N ATOM 1897 CZ ARG C 212 8.460 -16.765 10.749 1.00 22.12 C ATOM 1898 NH1 ARG C 212 9.136 -15.629 10.900 1.00 74.44 N ATOM 1899 NH2 ARG C 212 8.386 -17.616 11.761 1.00 21.12 N ATOM 0 H ARG C 212 6.795 -14.633 3.889 1.00 14.22 H new ATOM 0 HA ARG C 212 5.579 -14.364 6.533 1.00 34.22 H new ATOM 0 HB2 ARG C 212 6.203 -16.512 5.304 1.00 35.21 H new ATOM 0 HB3 ARG C 212 7.881 -16.090 5.581 1.00 35.21 H new ATOM 0 HG2 ARG C 212 5.838 -16.612 7.783 1.00 22.41 H new ATOM 0 HG3 ARG C 212 6.986 -17.791 7.182 1.00 22.41 H new ATOM 0 HD2 ARG C 212 8.861 -16.265 7.923 1.00 35.25 H new ATOM 0 HD3 ARG C 212 7.663 -15.198 8.628 1.00 35.25 H new ATOM 0 HE ARG C 212 7.331 -17.935 9.548 1.00 65.23 H new ATOM 0 HH11 ARG C 212 9.198 -14.966 10.127 1.00 74.44 H new ATOM 0 HH12 ARG C 212 9.592 -15.421 11.788 1.00 74.44 H new ATOM 0 HH21 ARG C 212 7.869 -18.489 11.656 1.00 21.12 H new ATOM 0 HH22 ARG C 212 8.846 -17.398 12.645 1.00 21.12 H new ATOM 1913 N PHE C 213 8.585 -13.299 5.743 1.00 2.03 N ATOM 1914 CA PHE C 213 9.698 -12.474 6.145 1.00 74.52 C ATOM 1915 C PHE C 213 9.624 -11.157 5.414 1.00 23.33 C ATOM 1916 O PHE C 213 9.048 -11.084 4.331 1.00 54.40 O ATOM 1917 CB PHE C 213 11.033 -13.173 5.844 1.00 73.12 C ATOM 1918 CG PHE C 213 11.187 -14.505 6.522 1.00 41.13 C ATOM 1919 CD1 PHE C 213 11.680 -14.587 7.810 1.00 12.13 C ATOM 1920 CD2 PHE C 213 10.834 -15.671 5.869 1.00 70.41 C ATOM 1921 CE1 PHE C 213 11.815 -15.808 8.437 1.00 72.31 C ATOM 1922 CE2 PHE C 213 10.966 -16.894 6.488 1.00 73.14 C ATOM 1923 CZ PHE C 213 11.459 -16.963 7.774 1.00 20.41 C ATOM 0 H PHE C 213 8.632 -13.615 4.775 1.00 2.03 H new ATOM 0 HA PHE C 213 9.644 -12.302 7.220 1.00 74.52 H new ATOM 0 HB2 PHE C 213 11.125 -13.311 4.767 1.00 73.12 H new ATOM 0 HB3 PHE C 213 11.851 -12.522 6.153 1.00 73.12 H new ATOM 0 HD1 PHE C 213 11.963 -13.685 8.332 1.00 12.13 H new ATOM 0 HD2 PHE C 213 10.450 -15.622 4.861 1.00 70.41 H new ATOM 0 HE1 PHE C 213 12.199 -15.859 9.445 1.00 72.31 H new ATOM 0 HE2 PHE C 213 10.684 -17.797 5.967 1.00 73.14 H new ATOM 0 HZ PHE C 213 11.566 -17.921 8.261 1.00 20.41 H new ATOM 1933 N PHE C 214 10.155 -10.132 6.013 1.00 72.11 N ATOM 1934 CA PHE C 214 10.159 -8.820 5.416 1.00 53.15 C ATOM 1935 C PHE C 214 11.505 -8.113 5.531 1.00 63.23 C ATOM 1936 O PHE C 214 12.187 -8.199 6.563 1.00 22.13 O ATOM 1937 CB PHE C 214 8.941 -7.979 5.851 1.00 12.42 C ATOM 1938 CG PHE C 214 8.506 -8.142 7.293 1.00 43.40 C ATOM 1939 CD1 PHE C 214 7.638 -9.170 7.649 1.00 64.13 C ATOM 1940 CD2 PHE C 214 8.924 -7.277 8.270 1.00 63.31 C ATOM 1941 CE1 PHE C 214 7.211 -9.324 8.948 1.00 4.12 C ATOM 1942 CE2 PHE C 214 8.492 -7.423 9.573 1.00 15.12 C ATOM 1943 CZ PHE C 214 7.638 -8.448 9.912 1.00 5.31 C ATOM 0 H PHE C 214 10.599 -10.177 6.930 1.00 72.11 H new ATOM 0 HA PHE C 214 10.033 -8.957 4.342 1.00 53.15 H new ATOM 0 HB2 PHE C 214 9.169 -6.927 5.677 1.00 12.42 H new ATOM 0 HB3 PHE C 214 8.099 -8.233 5.207 1.00 12.42 H new ATOM 0 HD1 PHE C 214 7.293 -9.859 6.892 1.00 64.13 H new ATOM 0 HD2 PHE C 214 9.599 -6.472 8.018 1.00 63.31 H new ATOM 0 HE1 PHE C 214 6.542 -10.132 9.207 1.00 4.12 H new ATOM 0 HE2 PHE C 214 8.826 -6.729 10.330 1.00 15.12 H new ATOM 0 HZ PHE C 214 7.306 -8.562 10.933 1.00 5.31 H new ATOM 1953 N GLU C 215 11.889 -7.452 4.463 1.00 73.13 N ATOM 1954 CA GLU C 215 13.168 -6.821 4.313 1.00 55.31 C ATOM 1955 C GLU C 215 13.220 -5.480 5.011 1.00 33.34 C ATOM 1956 O GLU C 215 12.233 -4.744 5.064 1.00 42.33 O ATOM 1957 CB GLU C 215 13.535 -6.621 2.815 1.00 11.10 C ATOM 1958 CG GLU C 215 13.774 -7.892 1.967 1.00 22.33 C ATOM 1959 CD GLU C 215 12.549 -8.780 1.697 1.00 4.45 C ATOM 1960 OE1 GLU C 215 12.081 -9.471 2.618 1.00 0.12 O ATOM 1961 OE2 GLU C 215 12.060 -8.797 0.548 1.00 42.23 O ATOM 0 H GLU C 215 11.290 -7.338 3.645 1.00 73.13 H new ATOM 0 HA GLU C 215 13.892 -7.491 4.776 1.00 55.31 H new ATOM 0 HB2 GLU C 215 12.735 -6.048 2.346 1.00 11.10 H new ATOM 0 HB3 GLU C 215 14.436 -6.009 2.767 1.00 11.10 H new ATOM 0 HG2 GLU C 215 14.192 -7.588 1.008 1.00 22.33 H new ATOM 0 HG3 GLU C 215 14.530 -8.498 2.467 1.00 22.33 H new ATOM 1968 N SER C 216 14.374 -5.168 5.537 1.00 41.23 N ATOM 1969 CA SER C 216 14.582 -3.922 6.203 1.00 54.53 C ATOM 1970 C SER C 216 15.461 -2.987 5.363 1.00 60.24 C ATOM 1971 O SER C 216 15.180 -1.803 5.233 1.00 63.33 O ATOM 1972 CB SER C 216 15.174 -4.177 7.580 1.00 2.03 C ATOM 1973 OG SER C 216 16.313 -5.024 7.498 1.00 12.10 O ATOM 0 H SER C 216 15.194 -5.775 5.513 1.00 41.23 H new ATOM 0 HA SER C 216 13.624 -3.417 6.330 1.00 54.53 H new ATOM 0 HB2 SER C 216 15.454 -3.229 8.040 1.00 2.03 H new ATOM 0 HB3 SER C 216 14.422 -4.634 8.224 1.00 2.03 H new ATOM 0 HG SER C 216 16.676 -5.171 8.396 1.00 12.10 H new ATOM 1979 N HIS C 217 16.509 -3.520 4.776 1.00 75.24 N ATOM 1980 CA HIS C 217 17.371 -2.702 3.948 1.00 41.43 C ATOM 1981 C HIS C 217 16.909 -2.671 2.513 1.00 5.11 C ATOM 1982 O HIS C 217 17.361 -3.452 1.680 1.00 61.34 O ATOM 1983 CB HIS C 217 18.856 -3.077 4.055 1.00 24.00 C ATOM 1984 CG HIS C 217 19.519 -2.659 5.341 1.00 64.43 C ATOM 1985 ND1 HIS C 217 20.766 -2.090 5.378 1.00 51.34 N ATOM 1986 CD2 HIS C 217 19.121 -2.753 6.631 1.00 10.42 C ATOM 1987 CE1 HIS C 217 21.107 -1.850 6.621 1.00 50.44 C ATOM 1988 NE2 HIS C 217 20.130 -2.240 7.403 1.00 41.04 N ATOM 0 H HIS C 217 16.783 -4.499 4.853 1.00 75.24 H new ATOM 0 HA HIS C 217 17.287 -1.691 4.346 1.00 41.43 H new ATOM 0 HB2 HIS C 217 18.953 -4.157 3.947 1.00 24.00 H new ATOM 0 HB3 HIS C 217 19.392 -2.624 3.221 1.00 24.00 H new ATOM 0 HD2 HIS C 217 18.184 -3.157 6.985 1.00 10.42 H new ATOM 0 HE1 HIS C 217 22.036 -1.406 6.946 1.00 50.44 H new ATOM 0 HE2 HIS C 217 20.122 -2.173 8.421 1.00 41.04 H new ATOM 1997 N VAL C 218 15.962 -1.806 2.255 1.00 65.12 N ATOM 1998 CA VAL C 218 15.432 -1.586 0.928 1.00 3.34 C ATOM 1999 C VAL C 218 15.501 -0.095 0.651 1.00 2.44 C ATOM 2000 O VAL C 218 15.341 0.718 1.577 1.00 43.55 O ATOM 2001 CB VAL C 218 13.966 -2.098 0.781 1.00 60.13 C ATOM 2002 CG1 VAL C 218 13.434 -1.846 -0.639 1.00 54.25 C ATOM 2003 CG2 VAL C 218 13.880 -3.587 1.127 1.00 62.30 C ATOM 0 H VAL C 218 15.528 -1.223 2.971 1.00 65.12 H new ATOM 0 HA VAL C 218 16.025 -2.150 0.208 1.00 3.34 H new ATOM 0 HB VAL C 218 13.343 -1.541 1.481 1.00 60.13 H new ATOM 0 HG11 VAL C 218 12.410 -2.212 -0.714 1.00 54.25 H new ATOM 0 HG12 VAL C 218 13.453 -0.777 -0.850 1.00 54.25 H new ATOM 0 HG13 VAL C 218 14.061 -2.370 -1.361 1.00 54.25 H new ATOM 0 HG21 VAL C 218 12.850 -3.927 1.019 1.00 62.30 H new ATOM 0 HG22 VAL C 218 14.522 -4.155 0.453 1.00 62.30 H new ATOM 0 HG23 VAL C 218 14.207 -3.741 2.155 1.00 62.30 H new ATOM 2013 N ALA C 219 15.747 0.267 -0.582 1.00 71.30 N ATOM 2014 CA ALA C 219 15.941 1.635 -0.944 1.00 35.23 C ATOM 2015 C ALA C 219 14.637 2.284 -1.333 1.00 44.24 C ATOM 2016 O ALA C 219 13.919 1.790 -2.207 1.00 12.51 O ATOM 2017 CB ALA C 219 16.940 1.733 -2.074 1.00 2.23 C ATOM 0 H ALA C 219 15.817 -0.387 -1.362 1.00 71.30 H new ATOM 0 HA ALA C 219 16.332 2.168 -0.077 1.00 35.23 H new ATOM 0 HB1 ALA C 219 17.082 2.779 -2.344 1.00 2.23 H new ATOM 0 HB2 ALA C 219 17.892 1.308 -1.756 1.00 2.23 H new ATOM 0 HB3 ALA C 219 16.567 1.183 -2.938 1.00 2.23 H new ATOM 2023 N ARG C 220 14.356 3.404 -0.703 1.00 71.52 N ATOM 2024 CA ARG C 220 13.149 4.179 -0.937 1.00 52.15 C ATOM 2025 C ARG C 220 13.128 4.723 -2.371 1.00 21.03 C ATOM 2026 O ARG C 220 12.073 4.875 -2.978 1.00 53.43 O ATOM 2027 CB ARG C 220 13.053 5.299 0.148 1.00 32.03 C ATOM 2028 CG ARG C 220 11.861 6.275 0.064 1.00 51.01 C ATOM 2029 CD ARG C 220 12.051 7.348 -1.001 1.00 43.21 C ATOM 2030 NE ARG C 220 13.237 8.184 -0.714 1.00 41.03 N ATOM 2031 CZ ARG C 220 13.961 8.893 -1.608 1.00 50.35 C ATOM 2032 NH1 ARG C 220 13.621 8.928 -2.891 1.00 31.22 N ATOM 2033 NH2 ARG C 220 15.012 9.588 -1.196 1.00 32.01 N ATOM 0 H ARG C 220 14.970 3.813 0.001 1.00 71.52 H new ATOM 0 HA ARG C 220 12.265 3.549 -0.844 1.00 52.15 H new ATOM 0 HB2 ARG C 220 13.025 4.818 1.126 1.00 32.03 H new ATOM 0 HB3 ARG C 220 13.971 5.885 0.107 1.00 32.03 H new ATOM 0 HG2 ARG C 220 10.952 5.713 -0.151 1.00 51.01 H new ATOM 0 HG3 ARG C 220 11.719 6.753 1.033 1.00 51.01 H new ATOM 0 HD2 ARG C 220 12.162 6.878 -1.978 1.00 43.21 H new ATOM 0 HD3 ARG C 220 11.162 7.977 -1.049 1.00 43.21 H new ATOM 0 HE ARG C 220 13.540 8.230 0.259 1.00 41.03 H new ATOM 0 HH11 ARG C 220 12.802 8.414 -3.216 1.00 31.22 H new ATOM 0 HH12 ARG C 220 14.179 9.468 -3.552 1.00 31.22 H new ATOM 0 HH21 ARG C 220 15.270 9.586 -0.209 1.00 32.01 H new ATOM 0 HH22 ARG C 220 15.563 10.125 -1.866 1.00 32.01 H new ATOM 2047 N ALA C 221 14.294 5.004 -2.897 1.00 42.13 N ATOM 2048 CA ALA C 221 14.427 5.507 -4.246 1.00 24.13 C ATOM 2049 C ALA C 221 14.390 4.379 -5.281 1.00 31.32 C ATOM 2050 O ALA C 221 14.275 4.634 -6.486 1.00 24.22 O ATOM 2051 CB ALA C 221 15.707 6.313 -4.386 1.00 70.33 C ATOM 0 H ALA C 221 15.180 4.891 -2.404 1.00 42.13 H new ATOM 0 HA ALA C 221 13.574 6.157 -4.440 1.00 24.13 H new ATOM 0 HB1 ALA C 221 15.793 6.685 -5.407 1.00 70.33 H new ATOM 0 HB2 ALA C 221 15.684 7.155 -3.694 1.00 70.33 H new ATOM 0 HB3 ALA C 221 16.563 5.678 -4.158 1.00 70.33 H new ATOM 2057 N ASN C 222 14.481 3.131 -4.827 1.00 34.50 N ATOM 2058 CA ASN C 222 14.540 2.018 -5.770 1.00 41.51 C ATOM 2059 C ASN C 222 13.202 1.282 -5.830 1.00 44.12 C ATOM 2060 O ASN C 222 13.015 0.363 -6.612 1.00 25.01 O ATOM 2061 CB ASN C 222 15.702 1.062 -5.431 1.00 62.04 C ATOM 2062 CG ASN C 222 15.996 0.041 -6.532 1.00 24.55 C ATOM 2063 OD1 ASN C 222 15.772 0.297 -7.713 1.00 73.43 O ATOM 2064 ND2 ASN C 222 16.528 -1.097 -6.162 1.00 71.02 N ATOM 0 H ASN C 222 14.515 2.869 -3.842 1.00 34.50 H new ATOM 0 HA ASN C 222 14.735 2.425 -6.762 1.00 41.51 H new ATOM 0 HB2 ASN C 222 16.601 1.649 -5.242 1.00 62.04 H new ATOM 0 HB3 ASN C 222 15.468 0.531 -4.508 1.00 62.04 H new ATOM 0 HD21 ASN C 222 16.768 -1.799 -6.862 1.00 71.02 H new ATOM 0 HD22 ASN C 222 16.702 -1.281 -5.174 1.00 71.02 H new ATOM 2071 N VAL C 223 12.261 1.697 -5.019 1.00 3.53 N ATOM 2072 CA VAL C 223 10.947 1.114 -5.098 1.00 34.21 C ATOM 2073 C VAL C 223 10.056 1.959 -6.003 1.00 52.45 C ATOM 2074 O VAL C 223 10.187 3.188 -6.070 1.00 11.35 O ATOM 2075 CB VAL C 223 10.275 0.902 -3.713 1.00 74.32 C ATOM 2076 CG1 VAL C 223 11.098 -0.043 -2.858 1.00 15.43 C ATOM 2077 CG2 VAL C 223 10.049 2.216 -2.985 1.00 20.21 C ATOM 0 H VAL C 223 12.376 2.422 -4.310 1.00 3.53 H new ATOM 0 HA VAL C 223 11.073 0.119 -5.525 1.00 34.21 H new ATOM 0 HB VAL C 223 9.298 0.454 -3.892 1.00 74.32 H new ATOM 0 HG11 VAL C 223 10.610 -0.178 -1.893 1.00 15.43 H new ATOM 0 HG12 VAL C 223 11.183 -1.007 -3.360 1.00 15.43 H new ATOM 0 HG13 VAL C 223 12.093 0.376 -2.707 1.00 15.43 H new ATOM 0 HG21 VAL C 223 9.577 2.022 -2.022 1.00 20.21 H new ATOM 0 HG22 VAL C 223 11.006 2.714 -2.827 1.00 20.21 H new ATOM 0 HG23 VAL C 223 9.401 2.857 -3.583 1.00 20.21 H new ATOM 2087 N LYS C 224 9.205 1.293 -6.739 1.00 42.33 N ATOM 2088 CA LYS C 224 8.332 1.924 -7.676 1.00 3.34 C ATOM 2089 C LYS C 224 6.947 2.139 -7.076 1.00 11.30 C ATOM 2090 O LYS C 224 6.253 3.075 -7.432 1.00 24.14 O ATOM 2091 CB LYS C 224 8.265 1.037 -8.897 1.00 63.20 C ATOM 2092 CG LYS C 224 7.521 1.600 -10.073 1.00 75.34 C ATOM 2093 CD LYS C 224 7.658 0.691 -11.291 1.00 22.04 C ATOM 2094 CE LYS C 224 7.035 -0.686 -11.086 1.00 20.40 C ATOM 2095 NZ LYS C 224 5.569 -0.622 -10.932 1.00 71.13 N ATOM 0 H LYS C 224 9.102 0.279 -6.698 1.00 42.33 H new ATOM 0 HA LYS C 224 8.711 2.910 -7.944 1.00 3.34 H new ATOM 0 HB2 LYS C 224 9.283 0.806 -9.212 1.00 63.20 H new ATOM 0 HB3 LYS C 224 7.798 0.094 -8.613 1.00 63.20 H new ATOM 0 HG2 LYS C 224 6.468 1.718 -9.819 1.00 75.34 H new ATOM 0 HG3 LYS C 224 7.905 2.592 -10.310 1.00 75.34 H new ATOM 0 HD2 LYS C 224 7.188 1.171 -12.149 1.00 22.04 H new ATOM 0 HD3 LYS C 224 8.715 0.573 -11.531 1.00 22.04 H new ATOM 0 HE2 LYS C 224 7.281 -1.323 -11.935 1.00 20.40 H new ATOM 0 HE3 LYS C 224 7.471 -1.151 -10.202 1.00 20.40 H new ATOM 0 HZ1 LYS C 224 5.181 -1.586 -10.897 1.00 71.13 H new ATOM 0 HZ2 LYS C 224 5.334 -0.122 -10.051 1.00 71.13 H new ATOM 0 HZ3 LYS C 224 5.157 -0.112 -11.739 1.00 71.13 H new ATOM 2109 N HIS C 225 6.557 1.272 -6.172 1.00 43.04 N ATOM 2110 CA HIS C 225 5.269 1.390 -5.495 1.00 53.43 C ATOM 2111 C HIS C 225 5.275 0.501 -4.283 1.00 64.23 C ATOM 2112 O HIS C 225 6.165 -0.352 -4.152 1.00 50.03 O ATOM 2113 CB HIS C 225 4.042 1.005 -6.425 1.00 70.23 C ATOM 2114 CG HIS C 225 3.873 -0.479 -6.812 1.00 4.21 C ATOM 2115 ND1 HIS C 225 3.944 -1.621 -6.065 1.00 71.51 N flip ATOM 2116 CD2 HIS C 225 3.509 -0.904 -8.081 1.00 65.14 C flip ATOM 2117 CE1 HIS C 225 3.635 -2.669 -6.871 1.00 52.23 C flip ATOM 2118 NE2 HIS C 225 3.375 -2.228 -8.075 1.00 61.14 N flip ATOM 0 H HIS C 225 7.112 0.468 -5.880 1.00 43.04 H new ATOM 0 HA HIS C 225 5.140 2.436 -5.217 1.00 53.43 H new ATOM 0 HB2 HIS C 225 3.128 1.327 -5.925 1.00 70.23 H new ATOM 0 HB3 HIS C 225 4.124 1.584 -7.345 1.00 70.23 H new ATOM 0 HD2 HIS C 225 3.358 -0.263 -8.937 1.00 65.14 H new ATOM 0 HE1 HIS C 225 3.608 -3.705 -6.566 1.00 52.23 H new ATOM 0 HE2 HIS C 225 3.113 -2.803 -8.876 1.00 61.14 H new ATOM 2127 N LEU C 226 4.269 0.636 -3.456 1.00 34.33 N ATOM 2128 CA LEU C 226 4.096 -0.243 -2.326 1.00 74.54 C ATOM 2129 C LEU C 226 2.813 -1.010 -2.504 1.00 45.22 C ATOM 2130 O LEU C 226 1.960 -0.637 -3.307 1.00 33.43 O ATOM 2131 CB LEU C 226 4.053 0.501 -0.975 1.00 51.22 C ATOM 2132 CG LEU C 226 5.298 1.284 -0.548 1.00 75.10 C ATOM 2133 CD1 LEU C 226 5.122 1.802 0.869 1.00 60.52 C ATOM 2134 CD2 LEU C 226 6.542 0.431 -0.646 1.00 61.42 C ATOM 0 H LEU C 226 3.550 1.354 -3.546 1.00 34.33 H new ATOM 0 HA LEU C 226 4.961 -0.906 -2.296 1.00 74.54 H new ATOM 0 HB2 LEU C 226 3.214 1.196 -1.003 1.00 51.22 H new ATOM 0 HB3 LEU C 226 3.835 -0.231 -0.197 1.00 51.22 H new ATOM 0 HG LEU C 226 5.420 2.129 -1.226 1.00 75.10 H new ATOM 0 HD11 LEU C 226 6.011 2.358 1.166 1.00 60.52 H new ATOM 0 HD12 LEU C 226 4.253 2.458 0.911 1.00 60.52 H new ATOM 0 HD13 LEU C 226 4.976 0.962 1.548 1.00 60.52 H new ATOM 0 HD21 LEU C 226 7.409 1.015 -0.336 1.00 61.42 H new ATOM 0 HD22 LEU C 226 6.439 -0.438 0.003 1.00 61.42 H new ATOM 0 HD23 LEU C 226 6.676 0.101 -1.676 1.00 61.42 H new ATOM 2146 N LYS C 227 2.704 -2.075 -1.809 1.00 74.05 N ATOM 2147 CA LYS C 227 1.557 -2.905 -1.815 1.00 1.33 C ATOM 2148 C LYS C 227 1.360 -3.459 -0.439 1.00 31.24 C ATOM 2149 O LYS C 227 2.221 -4.141 0.082 1.00 42.03 O ATOM 2150 CB LYS C 227 1.741 -3.999 -2.849 1.00 30.41 C ATOM 2151 CG LYS C 227 0.636 -5.026 -2.892 1.00 61.24 C ATOM 2152 CD LYS C 227 0.684 -5.778 -4.194 1.00 11.04 C ATOM 2153 CE LYS C 227 2.023 -6.425 -4.461 1.00 55.41 C ATOM 2154 NZ LYS C 227 2.270 -7.655 -3.643 1.00 72.11 N ATOM 0 H LYS C 227 3.443 -2.410 -1.191 1.00 74.05 H new ATOM 0 HA LYS C 227 0.664 -2.341 -2.085 1.00 1.33 H new ATOM 0 HB2 LYS C 227 1.827 -3.538 -3.833 1.00 30.41 H new ATOM 0 HB3 LYS C 227 2.684 -4.509 -2.653 1.00 30.41 H new ATOM 0 HG2 LYS C 227 0.740 -5.720 -2.058 1.00 61.24 H new ATOM 0 HG3 LYS C 227 -0.331 -4.536 -2.781 1.00 61.24 H new ATOM 0 HD2 LYS C 227 -0.089 -6.547 -4.190 1.00 11.04 H new ATOM 0 HD3 LYS C 227 0.450 -5.094 -5.010 1.00 11.04 H new ATOM 0 HE2 LYS C 227 2.088 -6.683 -5.518 1.00 55.41 H new ATOM 0 HE3 LYS C 227 2.813 -5.701 -4.261 1.00 55.41 H new ATOM 0 HZ1 LYS C 227 3.131 -8.130 -3.982 1.00 72.11 H new ATOM 0 HZ2 LYS C 227 2.391 -7.389 -2.645 1.00 72.11 H new ATOM 0 HZ3 LYS C 227 1.460 -8.301 -3.733 1.00 72.11 H new ATOM 2168 N ILE C 228 0.254 -3.150 0.147 1.00 24.12 N ATOM 2169 CA ILE C 228 -0.012 -3.535 1.494 1.00 13.14 C ATOM 2170 C ILE C 228 -1.098 -4.584 1.512 1.00 22.12 C ATOM 2171 O ILE C 228 -2.139 -4.429 0.848 1.00 54.03 O ATOM 2172 CB ILE C 228 -0.476 -2.317 2.344 1.00 13.31 C ATOM 2173 CG1 ILE C 228 0.512 -1.147 2.198 1.00 33.34 C ATOM 2174 CG2 ILE C 228 -0.603 -2.720 3.815 1.00 44.42 C ATOM 2175 CD1 ILE C 228 0.125 0.095 2.982 1.00 21.52 C ATOM 0 H ILE C 228 -0.497 -2.620 -0.296 1.00 24.12 H new ATOM 0 HA ILE C 228 0.909 -3.932 1.922 1.00 13.14 H new ATOM 0 HB ILE C 228 -1.451 -1.992 1.980 1.00 13.31 H new ATOM 0 HG12 ILE C 228 1.499 -1.476 2.524 1.00 33.34 H new ATOM 0 HG13 ILE C 228 0.596 -0.886 1.143 1.00 33.34 H new ATOM 0 HG21 ILE C 228 -0.928 -1.860 4.401 1.00 44.42 H new ATOM 0 HG22 ILE C 228 -1.335 -3.522 3.911 1.00 44.42 H new ATOM 0 HG23 ILE C 228 0.363 -3.065 4.183 1.00 44.42 H new ATOM 0 HD11 ILE C 228 0.873 0.872 2.825 1.00 21.52 H new ATOM 0 HD12 ILE C 228 -0.847 0.452 2.641 1.00 21.52 H new ATOM 0 HD13 ILE C 228 0.071 -0.147 4.043 1.00 21.52 H new ATOM 2187 N LEU C 229 -0.847 -5.659 2.215 1.00 23.01 N ATOM 2188 CA LEU C 229 -1.838 -6.686 2.413 1.00 14.31 C ATOM 2189 C LEU C 229 -2.028 -6.912 3.889 1.00 52.54 C ATOM 2190 O LEU C 229 -1.048 -7.020 4.643 1.00 13.14 O ATOM 2191 CB LEU C 229 -1.516 -8.036 1.691 1.00 74.14 C ATOM 2192 CG LEU C 229 -1.508 -8.037 0.143 1.00 53.12 C ATOM 2193 CD1 LEU C 229 -0.289 -7.357 -0.446 1.00 14.30 C ATOM 2194 CD2 LEU C 229 -1.707 -9.430 -0.435 1.00 62.51 C ATOM 0 H LEU C 229 0.049 -5.847 2.666 1.00 23.01 H new ATOM 0 HA LEU C 229 -2.759 -6.326 1.955 1.00 14.31 H new ATOM 0 HB2 LEU C 229 -0.538 -8.374 2.032 1.00 74.14 H new ATOM 0 HB3 LEU C 229 -2.243 -8.777 2.024 1.00 74.14 H new ATOM 0 HG LEU C 229 -2.368 -7.437 -0.154 1.00 53.12 H new ATOM 0 HD11 LEU C 229 -0.343 -7.391 -1.534 1.00 14.30 H new ATOM 0 HD12 LEU C 229 -0.257 -6.318 -0.117 1.00 14.30 H new ATOM 0 HD13 LEU C 229 0.612 -7.871 -0.111 1.00 14.30 H new ATOM 0 HD21 LEU C 229 -1.694 -9.378 -1.524 1.00 62.51 H new ATOM 0 HD22 LEU C 229 -0.904 -10.084 -0.093 1.00 62.51 H new ATOM 0 HD23 LEU C 229 -2.666 -9.828 -0.103 1.00 62.51 H new ATOM 2206 N ASN C 230 -3.268 -6.951 4.321 1.00 64.21 N ATOM 2207 CA ASN C 230 -3.552 -7.202 5.713 1.00 75.32 C ATOM 2208 C ASN C 230 -3.622 -8.678 5.890 1.00 43.45 C ATOM 2209 O ASN C 230 -4.581 -9.335 5.474 1.00 71.45 O ATOM 2210 CB ASN C 230 -4.835 -6.500 6.170 1.00 32.43 C ATOM 2211 CG ASN C 230 -5.118 -6.635 7.656 1.00 5.21 C ATOM 2212 OD1 ASN C 230 -5.838 -7.520 8.087 1.00 41.02 O ATOM 2213 ND2 ASN C 230 -4.548 -5.755 8.441 1.00 32.14 N ATOM 0 H ASN C 230 -4.090 -6.813 3.733 1.00 64.21 H new ATOM 0 HA ASN C 230 -2.763 -6.789 6.342 1.00 75.32 H new ATOM 0 HB2 ASN C 230 -4.767 -5.442 5.918 1.00 32.43 H new ATOM 0 HB3 ASN C 230 -5.678 -6.907 5.612 1.00 32.43 H new ATOM 0 HD21 ASN C 230 -4.700 -5.796 9.449 1.00 32.14 H new ATOM 0 HD22 ASN C 230 -3.952 -5.028 8.045 1.00 32.14 H new ATOM 2220 N THR C 231 -2.583 -9.181 6.450 1.00 31.34 N ATOM 2221 CA THR C 231 -2.346 -10.564 6.585 1.00 70.20 C ATOM 2222 C THR C 231 -3.104 -11.188 7.739 1.00 14.13 C ATOM 2223 O THR C 231 -3.117 -10.651 8.830 1.00 40.53 O ATOM 2224 CB THR C 231 -0.861 -10.754 6.759 1.00 2.22 C ATOM 2225 OG1 THR C 231 -0.409 -9.812 7.742 1.00 63.23 O ATOM 2226 CG2 THR C 231 -0.149 -10.485 5.456 1.00 63.51 C ATOM 0 H THR C 231 -1.839 -8.606 6.846 1.00 31.34 H new ATOM 0 HA THR C 231 -2.709 -11.071 5.691 1.00 70.20 H new ATOM 0 HB THR C 231 -0.650 -11.777 7.072 1.00 2.22 H new ATOM 0 HG1 THR C 231 -1.005 -9.840 8.520 1.00 63.23 H new ATOM 0 HG21 THR C 231 0.923 -10.625 5.592 1.00 63.51 H new ATOM 0 HG22 THR C 231 -0.511 -11.175 4.694 1.00 63.51 H new ATOM 0 HG23 THR C 231 -0.344 -9.460 5.140 1.00 63.51 H new ATOM 2234 N PRO C 232 -3.721 -12.352 7.507 1.00 25.04 N ATOM 2235 CA PRO C 232 -4.521 -13.044 8.517 1.00 62.04 C ATOM 2236 C PRO C 232 -3.703 -13.554 9.704 1.00 52.34 C ATOM 2237 O PRO C 232 -4.203 -13.633 10.821 1.00 61.41 O ATOM 2238 CB PRO C 232 -5.112 -14.232 7.755 1.00 41.31 C ATOM 2239 CG PRO C 232 -4.216 -14.437 6.586 1.00 25.42 C ATOM 2240 CD PRO C 232 -3.702 -13.083 6.220 1.00 44.34 C ATOM 0 HA PRO C 232 -5.258 -12.370 8.954 1.00 62.04 H new ATOM 0 HB2 PRO C 232 -5.149 -15.122 8.383 1.00 41.31 H new ATOM 0 HB3 PRO C 232 -6.133 -14.025 7.436 1.00 41.31 H new ATOM 0 HG2 PRO C 232 -3.397 -15.111 6.836 1.00 25.42 H new ATOM 0 HG3 PRO C 232 -4.757 -14.887 5.754 1.00 25.42 H new ATOM 0 HD2 PRO C 232 -2.697 -13.134 5.801 1.00 44.34 H new ATOM 0 HD3 PRO C 232 -4.334 -12.601 5.474 1.00 44.34 H new ATOM 2248 N ASN C 233 -2.455 -13.888 9.462 1.00 51.12 N ATOM 2249 CA ASN C 233 -1.629 -14.500 10.494 1.00 3.24 C ATOM 2250 C ASN C 233 -0.415 -13.610 10.801 1.00 42.21 C ATOM 2251 O ASN C 233 0.519 -14.018 11.469 1.00 21.04 O ATOM 2252 CB ASN C 233 -1.201 -15.923 10.008 1.00 61.31 C ATOM 2253 CG ASN C 233 -0.496 -16.788 11.066 1.00 12.23 C ATOM 2254 OD1 ASN C 233 -1.146 -17.495 11.837 1.00 42.35 O ATOM 2255 ND2 ASN C 233 0.815 -16.782 11.079 1.00 13.41 N ATOM 0 H ASN C 233 -1.986 -13.750 8.567 1.00 51.12 H new ATOM 0 HA ASN C 233 -2.192 -14.601 11.422 1.00 3.24 H new ATOM 0 HB2 ASN C 233 -2.087 -16.453 9.660 1.00 61.31 H new ATOM 0 HB3 ASN C 233 -0.538 -15.813 9.150 1.00 61.31 H new ATOM 0 HD21 ASN C 233 1.321 -17.373 11.739 1.00 13.41 H new ATOM 0 HD22 ASN C 233 1.329 -16.187 10.429 1.00 13.41 H new ATOM 2262 N CYS C 234 -0.461 -12.377 10.350 1.00 25.42 N ATOM 2263 CA CYS C 234 0.655 -11.452 10.535 1.00 72.01 C ATOM 2264 C CYS C 234 0.091 -10.051 10.805 1.00 34.11 C ATOM 2265 O CYS C 234 -1.065 -9.795 10.493 1.00 34.34 O ATOM 2266 CB CYS C 234 1.578 -11.462 9.285 1.00 50.21 C ATOM 2267 SG CYS C 234 2.193 -13.117 8.816 1.00 50.14 S ATOM 0 H CYS C 234 -1.258 -11.982 9.850 1.00 25.42 H new ATOM 0 HA CYS C 234 1.261 -11.761 11.387 1.00 72.01 H new ATOM 0 HB2 CYS C 234 1.033 -11.038 8.442 1.00 50.21 H new ATOM 0 HB3 CYS C 234 2.431 -10.810 9.473 1.00 50.21 H new ATOM 2272 N ALA C 235 0.891 -9.171 11.380 1.00 31.22 N ATOM 2273 CA ALA C 235 0.451 -7.825 11.782 1.00 1.54 C ATOM 2274 C ALA C 235 -0.008 -6.961 10.593 1.00 23.23 C ATOM 2275 O ALA C 235 -1.156 -6.507 10.540 1.00 11.13 O ATOM 2276 CB ALA C 235 1.574 -7.123 12.532 1.00 0.10 C ATOM 0 H ALA C 235 1.872 -9.360 11.587 1.00 31.22 H new ATOM 0 HA ALA C 235 -0.416 -7.952 12.430 1.00 1.54 H new ATOM 0 HB1 ALA C 235 1.246 -6.127 12.829 1.00 0.10 H new ATOM 0 HB2 ALA C 235 1.834 -7.699 13.420 1.00 0.10 H new ATOM 0 HB3 ALA C 235 2.447 -7.040 11.885 1.00 0.10 H new ATOM 2282 N CYS C 236 0.899 -6.728 9.669 1.00 3.44 N ATOM 2283 CA CYS C 236 0.648 -5.910 8.490 1.00 64.31 C ATOM 2284 C CYS C 236 1.831 -6.140 7.564 1.00 52.01 C ATOM 2285 O CYS C 236 2.950 -6.349 8.054 1.00 30.14 O ATOM 2286 CB CYS C 236 0.532 -4.411 8.899 1.00 13.30 C ATOM 2287 SG CYS C 236 0.027 -3.266 7.559 1.00 71.44 S ATOM 0 H CYS C 236 1.846 -7.104 9.711 1.00 3.44 H new ATOM 0 HA CYS C 236 -0.287 -6.176 7.997 1.00 64.31 H new ATOM 0 HB2 CYS C 236 -0.187 -4.329 9.714 1.00 13.30 H new ATOM 0 HB3 CYS C 236 1.495 -4.083 9.290 1.00 13.30 H new ATOM 2292 N GLN C 237 1.629 -6.135 6.262 1.00 24.10 N ATOM 2293 CA GLN C 237 2.714 -6.489 5.375 1.00 11.53 C ATOM 2294 C GLN C 237 2.841 -5.523 4.201 1.00 2.22 C ATOM 2295 O GLN C 237 1.843 -5.179 3.561 1.00 21.30 O ATOM 2296 CB GLN C 237 2.503 -7.919 4.863 1.00 42.22 C ATOM 2297 CG GLN C 237 3.712 -8.505 4.163 1.00 30.04 C ATOM 2298 CD GLN C 237 4.921 -8.576 5.086 1.00 53.13 C ATOM 2299 OE1 GLN C 237 6.046 -8.488 4.643 1.00 5.41 O ATOM 2300 NE2 GLN C 237 4.677 -8.732 6.382 1.00 24.33 N ATOM 0 H GLN C 237 0.749 -5.897 5.806 1.00 24.10 H new ATOM 0 HA GLN C 237 3.644 -6.426 5.941 1.00 11.53 H new ATOM 0 HB2 GLN C 237 2.236 -8.560 5.703 1.00 42.22 H new ATOM 0 HB3 GLN C 237 1.658 -7.927 4.175 1.00 42.22 H new ATOM 0 HG2 GLN C 237 3.473 -9.505 3.800 1.00 30.04 H new ATOM 0 HG3 GLN C 237 3.956 -7.899 3.290 1.00 30.04 H new ATOM 0 HE21 GLN C 237 3.715 -8.802 6.715 1.00 24.33 H new ATOM 0 HE22 GLN C 237 5.451 -8.782 7.044 1.00 24.33 H new ATOM 2309 N ILE C 238 4.073 -5.104 3.933 1.00 34.52 N ATOM 2310 CA ILE C 238 4.384 -4.206 2.833 1.00 14.15 C ATOM 2311 C ILE C 238 5.142 -5.000 1.777 1.00 1.31 C ATOM 2312 O ILE C 238 6.053 -5.725 2.100 1.00 72.33 O ATOM 2313 CB ILE C 238 5.337 -3.055 3.295 1.00 33.22 C ATOM 2314 CG1 ILE C 238 4.774 -2.282 4.492 1.00 51.21 C ATOM 2315 CG2 ILE C 238 5.647 -2.098 2.141 1.00 52.13 C ATOM 2316 CD1 ILE C 238 3.494 -1.532 4.225 1.00 44.43 C ATOM 0 H ILE C 238 4.889 -5.382 4.479 1.00 34.52 H new ATOM 0 HA ILE C 238 3.451 -3.785 2.458 1.00 14.15 H new ATOM 0 HB ILE C 238 6.265 -3.527 3.616 1.00 33.22 H new ATOM 0 HG12 ILE C 238 4.602 -2.983 5.309 1.00 51.21 H new ATOM 0 HG13 ILE C 238 5.528 -1.573 4.834 1.00 51.21 H new ATOM 0 HG21 ILE C 238 6.311 -1.308 2.492 1.00 52.13 H new ATOM 0 HG22 ILE C 238 6.131 -2.647 1.333 1.00 52.13 H new ATOM 0 HG23 ILE C 238 4.720 -1.656 1.775 1.00 52.13 H new ATOM 0 HD11 ILE C 238 3.177 -1.018 5.133 1.00 44.43 H new ATOM 0 HD12 ILE C 238 3.659 -0.801 3.433 1.00 44.43 H new ATOM 0 HD13 ILE C 238 2.719 -2.233 3.916 1.00 44.43 H new ATOM 2328 N VAL C 239 4.744 -4.890 0.549 1.00 41.23 N ATOM 2329 CA VAL C 239 5.462 -5.500 -0.550 1.00 32.32 C ATOM 2330 C VAL C 239 5.752 -4.399 -1.569 1.00 21.21 C ATOM 2331 O VAL C 239 4.862 -3.647 -1.922 1.00 24.41 O ATOM 2332 CB VAL C 239 4.633 -6.640 -1.223 1.00 64.30 C ATOM 2333 CG1 VAL C 239 5.440 -7.328 -2.320 1.00 53.30 C ATOM 2334 CG2 VAL C 239 4.156 -7.661 -0.189 1.00 52.52 C ATOM 0 H VAL C 239 3.910 -4.375 0.268 1.00 41.23 H new ATOM 0 HA VAL C 239 6.381 -5.953 -0.178 1.00 32.32 H new ATOM 0 HB VAL C 239 3.754 -6.183 -1.679 1.00 64.30 H new ATOM 0 HG11 VAL C 239 4.840 -8.118 -2.772 1.00 53.30 H new ATOM 0 HG12 VAL C 239 5.714 -6.598 -3.082 1.00 53.30 H new ATOM 0 HG13 VAL C 239 6.344 -7.760 -1.890 1.00 53.30 H new ATOM 0 HG21 VAL C 239 3.582 -8.442 -0.687 1.00 52.52 H new ATOM 0 HG22 VAL C 239 5.018 -8.105 0.308 1.00 52.52 H new ATOM 0 HG23 VAL C 239 3.527 -7.164 0.550 1.00 52.52 H new ATOM 2344 N ALA C 240 6.967 -4.284 -2.018 1.00 21.14 N ATOM 2345 CA ALA C 240 7.320 -3.214 -2.926 1.00 61.22 C ATOM 2346 C ALA C 240 7.970 -3.727 -4.171 1.00 15.22 C ATOM 2347 O ALA C 240 8.707 -4.696 -4.144 1.00 72.35 O ATOM 2348 CB ALA C 240 8.222 -2.231 -2.255 1.00 34.03 C ATOM 0 H ALA C 240 7.734 -4.912 -1.776 1.00 21.14 H new ATOM 0 HA ALA C 240 6.392 -2.719 -3.211 1.00 61.22 H new ATOM 0 HB1 ALA C 240 8.476 -1.434 -2.954 1.00 34.03 H new ATOM 0 HB2 ALA C 240 7.716 -1.806 -1.388 1.00 34.03 H new ATOM 0 HB3 ALA C 240 9.133 -2.735 -1.932 1.00 34.03 H new ATOM 2354 N ARG C 241 7.703 -3.060 -5.264 1.00 40.11 N ATOM 2355 CA ARG C 241 8.257 -3.440 -6.545 1.00 63.13 C ATOM 2356 C ARG C 241 9.462 -2.556 -6.829 1.00 65.41 C ATOM 2357 O ARG C 241 9.311 -1.344 -6.913 1.00 42.34 O ATOM 2358 CB ARG C 241 7.226 -3.217 -7.651 1.00 3.43 C ATOM 2359 CG ARG C 241 7.651 -3.752 -9.007 1.00 3.24 C ATOM 2360 CD ARG C 241 7.622 -5.267 -9.025 1.00 62.32 C ATOM 2361 NE ARG C 241 8.103 -5.814 -10.294 1.00 52.44 N ATOM 2362 CZ ARG C 241 7.695 -6.966 -10.841 1.00 24.25 C ATOM 2363 NH1 ARG C 241 6.714 -7.672 -10.281 1.00 65.22 N ATOM 2364 NH2 ARG C 241 8.262 -7.398 -11.952 1.00 73.42 N ATOM 0 H ARG C 241 7.097 -2.240 -5.295 1.00 40.11 H new ATOM 0 HA ARG C 241 8.539 -4.492 -6.519 1.00 63.13 H new ATOM 0 HB2 ARG C 241 6.289 -3.692 -7.362 1.00 3.43 H new ATOM 0 HB3 ARG C 241 7.028 -2.149 -7.739 1.00 3.43 H new ATOM 0 HG2 ARG C 241 6.988 -3.363 -9.780 1.00 3.24 H new ATOM 0 HG3 ARG C 241 8.656 -3.401 -9.242 1.00 3.24 H new ATOM 0 HD2 ARG C 241 8.236 -5.650 -8.210 1.00 62.32 H new ATOM 0 HD3 ARG C 241 6.604 -5.611 -8.846 1.00 62.32 H new ATOM 0 HE ARG C 241 8.804 -5.275 -10.802 1.00 52.44 H new ATOM 0 HH11 ARG C 241 6.267 -7.336 -9.428 1.00 65.22 H new ATOM 0 HH12 ARG C 241 6.410 -8.548 -10.705 1.00 65.22 H new ATOM 0 HH21 ARG C 241 9.007 -6.855 -12.389 1.00 73.42 H new ATOM 0 HH22 ARG C 241 7.955 -8.275 -12.373 1.00 73.42 H new ATOM 2378 N LEU C 242 10.621 -3.145 -6.957 1.00 41.15 N ATOM 2379 CA LEU C 242 11.861 -2.402 -7.232 1.00 12.22 C ATOM 2380 C LEU C 242 11.988 -1.983 -8.701 1.00 11.23 C ATOM 2381 O LEU C 242 12.706 -2.643 -9.477 1.00 53.33 O ATOM 2382 CB LEU C 242 13.126 -3.197 -6.814 1.00 63.42 C ATOM 2383 CG LEU C 242 13.399 -3.440 -5.325 1.00 21.05 C ATOM 2384 CD1 LEU C 242 13.559 -2.145 -4.566 1.00 73.13 C ATOM 2385 CD2 LEU C 242 12.334 -4.291 -4.706 1.00 65.21 C ATOM 0 H LEU C 242 10.751 -4.153 -6.877 1.00 41.15 H new ATOM 0 HA LEU C 242 11.794 -1.500 -6.623 1.00 12.22 H new ATOM 0 HB2 LEU C 242 13.078 -4.171 -7.302 1.00 63.42 H new ATOM 0 HB3 LEU C 242 13.991 -2.677 -7.226 1.00 63.42 H new ATOM 0 HG LEU C 242 14.343 -3.980 -5.259 1.00 21.05 H new ATOM 0 HD11 LEU C 242 13.751 -2.361 -3.515 1.00 73.13 H new ATOM 0 HD12 LEU C 242 14.396 -1.582 -4.980 1.00 73.13 H new ATOM 0 HD13 LEU C 242 12.646 -1.556 -4.655 1.00 73.13 H new ATOM 0 HD21 LEU C 242 12.558 -4.444 -3.650 1.00 65.21 H new ATOM 0 HD22 LEU C 242 11.369 -3.794 -4.804 1.00 65.21 H new ATOM 0 HD23 LEU C 242 12.299 -5.255 -5.213 1.00 65.21 H new ATOM 2397 N LYS C 243 11.272 -0.890 -9.065 1.00 52.21 N ATOM 2398 CA LYS C 243 11.261 -0.281 -10.408 1.00 61.32 C ATOM 2399 C LYS C 243 11.257 -1.260 -11.589 1.00 71.12 C ATOM 2400 O LYS C 243 10.952 -2.454 -11.448 1.00 63.40 O ATOM 2401 CB LYS C 243 12.383 0.718 -10.442 1.00 3.34 C ATOM 2402 CG LYS C 243 12.138 1.739 -9.360 1.00 45.02 C ATOM 2403 CD LYS C 243 13.305 2.597 -9.067 1.00 44.34 C ATOM 2404 CE LYS C 243 13.654 3.535 -10.199 1.00 54.12 C ATOM 2405 NZ LYS C 243 14.786 4.411 -9.837 1.00 34.22 N ATOM 0 H LYS C 243 10.669 -0.397 -8.407 1.00 52.21 H new ATOM 0 HA LYS C 243 10.301 0.213 -10.559 1.00 61.32 H new ATOM 0 HB2 LYS C 243 13.340 0.220 -10.285 1.00 3.34 H new ATOM 0 HB3 LYS C 243 12.432 1.202 -11.417 1.00 3.34 H new ATOM 0 HG2 LYS C 243 11.300 2.371 -9.654 1.00 45.02 H new ATOM 0 HG3 LYS C 243 11.842 1.222 -8.447 1.00 45.02 H new ATOM 0 HD2 LYS C 243 13.102 3.181 -8.169 1.00 44.34 H new ATOM 0 HD3 LYS C 243 14.166 1.966 -8.848 1.00 44.34 H new ATOM 0 HE2 LYS C 243 13.907 2.958 -11.088 1.00 54.12 H new ATOM 0 HE3 LYS C 243 12.786 4.144 -10.451 1.00 54.12 H new ATOM 0 HZ1 LYS C 243 14.705 5.312 -10.350 1.00 34.22 H new ATOM 0 HZ2 LYS C 243 14.771 4.593 -8.813 1.00 34.22 H new ATOM 0 HZ3 LYS C 243 15.680 3.946 -10.093 1.00 34.22 H new ATOM 2461 N ARG C 247 12.874 -7.158 -8.948 1.00 13.55 N ATOM 2462 CA ARG C 247 11.619 -7.814 -8.587 1.00 10.30 C ATOM 2463 C ARG C 247 10.978 -7.161 -7.367 1.00 74.31 C ATOM 2464 O ARG C 247 11.360 -6.064 -6.990 1.00 20.44 O ATOM 2465 CB ARG C 247 11.823 -9.346 -8.421 1.00 33.24 C ATOM 2466 CG ARG C 247 12.948 -9.840 -7.481 1.00 32.50 C ATOM 2467 CD ARG C 247 12.671 -9.597 -6.005 1.00 72.04 C ATOM 2468 NE ARG C 247 13.725 -10.164 -5.147 1.00 14.05 N ATOM 2469 CZ ARG C 247 13.591 -10.434 -3.826 1.00 11.25 C ATOM 2470 NH1 ARG C 247 12.443 -10.189 -3.192 1.00 24.21 N ATOM 2471 NH2 ARG C 247 14.607 -10.947 -3.151 1.00 60.04 N ATOM 0 HA ARG C 247 10.912 -7.679 -9.406 1.00 10.30 H new ATOM 0 HB2 ARG C 247 10.884 -9.770 -8.066 1.00 33.24 H new ATOM 0 HB3 ARG C 247 12.008 -9.766 -9.410 1.00 33.24 H new ATOM 0 HG2 ARG C 247 13.099 -10.908 -7.641 1.00 32.50 H new ATOM 0 HG3 ARG C 247 13.879 -9.342 -7.752 1.00 32.50 H new ATOM 0 HD2 ARG C 247 12.592 -8.525 -5.822 1.00 72.04 H new ATOM 0 HD3 ARG C 247 11.710 -10.038 -5.739 1.00 72.04 H new ATOM 0 HE ARG C 247 14.625 -10.369 -5.581 1.00 14.05 H new ATOM 0 HH11 ARG C 247 11.653 -9.794 -3.702 1.00 24.21 H new ATOM 0 HH12 ARG C 247 12.355 -10.397 -2.197 1.00 24.21 H new ATOM 0 HH21 ARG C 247 15.490 -11.139 -3.625 1.00 60.04 H new ATOM 0 HH22 ARG C 247 14.508 -11.151 -2.157 1.00 60.04 H new ATOM 2485 N GLN C 248 9.994 -7.809 -6.773 1.00 22.14 N ATOM 2486 CA GLN C 248 9.340 -7.246 -5.608 1.00 71.42 C ATOM 2487 C GLN C 248 9.904 -7.840 -4.319 1.00 74.33 C ATOM 2488 O GLN C 248 10.175 -9.043 -4.233 1.00 52.33 O ATOM 2489 CB GLN C 248 7.790 -7.408 -5.652 1.00 31.24 C ATOM 2490 CG GLN C 248 7.241 -8.840 -5.527 1.00 72.42 C ATOM 2491 CD GLN C 248 7.627 -9.768 -6.657 1.00 32.31 C ATOM 2492 OE1 GLN C 248 7.839 -9.342 -7.799 1.00 30.30 O ATOM 2493 NE2 GLN C 248 7.707 -11.030 -6.360 1.00 35.01 N ATOM 0 H GLN C 248 9.634 -8.715 -7.073 1.00 22.14 H new ATOM 0 HA GLN C 248 9.551 -6.177 -5.623 1.00 71.42 H new ATOM 0 HB2 GLN C 248 7.362 -6.808 -4.849 1.00 31.24 H new ATOM 0 HB3 GLN C 248 7.430 -6.986 -6.591 1.00 31.24 H new ATOM 0 HG2 GLN C 248 7.592 -9.268 -4.588 1.00 72.42 H new ATOM 0 HG3 GLN C 248 6.154 -8.793 -5.469 1.00 72.42 H new ATOM 0 HE21 GLN C 248 7.525 -11.342 -5.406 1.00 35.01 H new ATOM 0 HE22 GLN C 248 7.952 -11.709 -7.081 1.00 35.01 H new ATOM 2502 N VAL C 249 10.096 -6.987 -3.353 1.00 64.13 N ATOM 2503 CA VAL C 249 10.603 -7.350 -2.041 1.00 42.53 C ATOM 2504 C VAL C 249 9.551 -7.057 -1.011 1.00 13.10 C ATOM 2505 O VAL C 249 8.630 -6.270 -1.261 1.00 15.33 O ATOM 2506 CB VAL C 249 11.931 -6.639 -1.636 1.00 34.23 C ATOM 2507 CG1 VAL C 249 13.057 -6.922 -2.612 1.00 20.30 C ATOM 2508 CG2 VAL C 249 11.734 -5.146 -1.404 1.00 34.01 C ATOM 0 H VAL C 249 9.902 -5.990 -3.450 1.00 64.13 H new ATOM 0 HA VAL C 249 10.837 -8.413 -2.091 1.00 42.53 H new ATOM 0 HB VAL C 249 12.234 -7.068 -0.681 1.00 34.23 H new ATOM 0 HG11 VAL C 249 13.959 -6.405 -2.286 1.00 20.30 H new ATOM 0 HG12 VAL C 249 13.246 -7.995 -2.648 1.00 20.30 H new ATOM 0 HG13 VAL C 249 12.775 -6.570 -3.604 1.00 20.30 H new ATOM 0 HG21 VAL C 249 12.685 -4.693 -1.124 1.00 34.01 H new ATOM 0 HG22 VAL C 249 11.366 -4.681 -2.319 1.00 34.01 H new ATOM 0 HG23 VAL C 249 11.010 -4.995 -0.603 1.00 34.01 H new ATOM 2518 N CYS C 250 9.667 -7.659 0.097 1.00 44.51 N ATOM 2519 CA CYS C 250 8.725 -7.489 1.145 1.00 2.14 C ATOM 2520 C CYS C 250 9.362 -6.548 2.121 1.00 1.12 C ATOM 2521 O CYS C 250 10.503 -6.672 2.409 1.00 33.51 O ATOM 2522 CB CYS C 250 8.486 -8.837 1.782 1.00 10.12 C ATOM 2523 SG CYS C 250 8.020 -10.115 0.561 1.00 33.32 S ATOM 0 H CYS C 250 10.430 -8.299 0.318 1.00 44.51 H new ATOM 0 HA CYS C 250 7.769 -7.094 0.801 1.00 2.14 H new ATOM 0 HB2 CYS C 250 9.388 -9.152 2.307 1.00 10.12 H new ATOM 0 HB3 CYS C 250 7.697 -8.748 2.529 1.00 10.12 H new ATOM 2528 N ILE C 251 8.658 -5.574 2.571 1.00 13.41 N ATOM 2529 CA ILE C 251 9.248 -4.574 3.403 1.00 64.05 C ATOM 2530 C ILE C 251 8.663 -4.529 4.790 1.00 42.13 C ATOM 2531 O ILE C 251 7.457 -4.740 4.992 1.00 74.42 O ATOM 2532 CB ILE C 251 9.139 -3.199 2.722 1.00 12.30 C ATOM 2533 CG1 ILE C 251 9.911 -3.238 1.431 1.00 34.44 C ATOM 2534 CG2 ILE C 251 9.647 -2.070 3.608 1.00 73.03 C ATOM 2535 CD1 ILE C 251 9.816 -1.992 0.665 1.00 5.23 C ATOM 0 H ILE C 251 7.665 -5.442 2.379 1.00 13.41 H new ATOM 0 HA ILE C 251 10.297 -4.843 3.528 1.00 64.05 H new ATOM 0 HB ILE C 251 8.086 -2.994 2.531 1.00 12.30 H new ATOM 0 HG12 ILE C 251 10.959 -3.445 1.648 1.00 34.44 H new ATOM 0 HG13 ILE C 251 9.543 -4.062 0.820 1.00 34.44 H new ATOM 0 HG21 ILE C 251 9.548 -1.121 3.081 1.00 73.03 H new ATOM 0 HG22 ILE C 251 9.062 -2.037 4.527 1.00 73.03 H new ATOM 0 HG23 ILE C 251 10.695 -2.242 3.852 1.00 73.03 H new ATOM 0 HD11 ILE C 251 10.394 -2.085 -0.254 1.00 5.23 H new ATOM 0 HD12 ILE C 251 8.773 -1.795 0.419 1.00 5.23 H new ATOM 0 HD13 ILE C 251 10.210 -1.168 1.260 1.00 5.23 H new ATOM 2547 N ASP C 252 9.542 -4.285 5.732 1.00 42.21 N ATOM 2548 CA ASP C 252 9.212 -4.085 7.109 1.00 42.03 C ATOM 2549 C ASP C 252 8.463 -2.752 7.232 1.00 22.31 C ATOM 2550 O ASP C 252 9.025 -1.685 6.958 1.00 44.13 O ATOM 2551 CB ASP C 252 10.517 -4.050 7.924 1.00 74.11 C ATOM 2552 CG ASP C 252 10.315 -3.901 9.405 1.00 30.54 C ATOM 2553 OD1 ASP C 252 10.158 -2.774 9.862 1.00 71.13 O ATOM 2554 OD2 ASP C 252 10.336 -4.929 10.133 1.00 75.41 O ATOM 0 H ASP C 252 10.543 -4.219 5.546 1.00 42.21 H new ATOM 0 HA ASP C 252 8.581 -4.889 7.487 1.00 42.03 H new ATOM 0 HB2 ASP C 252 11.075 -4.967 7.735 1.00 74.11 H new ATOM 0 HB3 ASP C 252 11.132 -3.224 7.568 1.00 74.11 H new ATOM 2559 N PRO C 253 7.175 -2.789 7.628 1.00 22.21 N ATOM 2560 CA PRO C 253 6.337 -1.579 7.727 1.00 35.30 C ATOM 2561 C PRO C 253 6.737 -0.664 8.882 1.00 14.21 C ATOM 2562 O PRO C 253 6.087 0.343 9.162 1.00 51.12 O ATOM 2563 CB PRO C 253 4.925 -2.128 7.967 1.00 75.10 C ATOM 2564 CG PRO C 253 5.111 -3.511 8.494 1.00 73.25 C ATOM 2565 CD PRO C 253 6.440 -4.010 7.995 1.00 5.04 C ATOM 0 HA PRO C 253 6.433 -0.966 6.831 1.00 35.30 H new ATOM 0 HB2 PRO C 253 4.380 -1.508 8.679 1.00 75.10 H new ATOM 0 HB3 PRO C 253 4.346 -2.136 7.043 1.00 75.10 H new ATOM 0 HG2 PRO C 253 5.085 -3.513 9.584 1.00 73.25 H new ATOM 0 HG3 PRO C 253 4.305 -4.162 8.155 1.00 73.25 H new ATOM 0 HD2 PRO C 253 6.967 -4.575 8.764 1.00 5.04 H new ATOM 0 HD3 PRO C 253 6.319 -4.674 7.139 1.00 5.04 H new ATOM 2573 N LYS C 254 7.800 -1.013 9.527 1.00 23.24 N ATOM 2574 CA LYS C 254 8.255 -0.332 10.674 1.00 21.44 C ATOM 2575 C LYS C 254 9.559 0.442 10.364 1.00 44.24 C ATOM 2576 O LYS C 254 10.198 1.007 11.259 1.00 12.22 O ATOM 2577 CB LYS C 254 8.436 -1.369 11.762 1.00 24.52 C ATOM 2578 CG LYS C 254 7.136 -2.131 12.091 1.00 13.44 C ATOM 2579 CD LYS C 254 7.365 -3.341 13.002 1.00 65.21 C ATOM 2580 CE LYS C 254 8.170 -4.421 12.292 1.00 22.23 C ATOM 2581 NZ LYS C 254 8.469 -5.571 13.173 1.00 45.33 N ATOM 0 H LYS C 254 8.386 -1.803 9.256 1.00 23.24 H new ATOM 0 HA LYS C 254 7.537 0.418 11.006 1.00 21.44 H new ATOM 0 HB2 LYS C 254 9.200 -2.082 11.453 1.00 24.52 H new ATOM 0 HB3 LYS C 254 8.802 -0.880 12.665 1.00 24.52 H new ATOM 0 HG2 LYS C 254 6.434 -1.450 12.571 1.00 13.44 H new ATOM 0 HG3 LYS C 254 6.672 -2.465 11.163 1.00 13.44 H new ATOM 0 HD2 LYS C 254 7.890 -3.026 13.904 1.00 65.21 H new ATOM 0 HD3 LYS C 254 6.405 -3.748 13.318 1.00 65.21 H new ATOM 0 HE2 LYS C 254 7.616 -4.769 11.420 1.00 22.23 H new ATOM 0 HE3 LYS C 254 9.104 -3.994 11.927 1.00 22.23 H new ATOM 0 HZ1 LYS C 254 9.475 -5.554 13.436 1.00 45.33 H new ATOM 0 HZ2 LYS C 254 7.885 -5.512 14.032 1.00 45.33 H new ATOM 0 HZ3 LYS C 254 8.257 -6.457 12.671 1.00 45.33 H new ATOM 2595 N LEU C 255 9.960 0.438 9.090 1.00 54.01 N ATOM 2596 CA LEU C 255 11.072 1.245 8.627 1.00 31.04 C ATOM 2597 C LEU C 255 10.735 2.728 8.694 1.00 30.11 C ATOM 2598 O LEU C 255 9.593 3.116 8.446 1.00 1.03 O ATOM 2599 CB LEU C 255 11.419 0.878 7.205 1.00 63.00 C ATOM 2600 CG LEU C 255 12.045 -0.481 6.995 1.00 62.12 C ATOM 2601 CD1 LEU C 255 12.207 -0.744 5.518 1.00 35.04 C ATOM 2602 CD2 LEU C 255 13.396 -0.533 7.678 1.00 63.34 C ATOM 0 H LEU C 255 9.521 -0.124 8.361 1.00 54.01 H new ATOM 0 HA LEU C 255 11.924 1.049 9.278 1.00 31.04 H new ATOM 0 HB2 LEU C 255 10.509 0.931 6.607 1.00 63.00 H new ATOM 0 HB3 LEU C 255 12.102 1.633 6.814 1.00 63.00 H new ATOM 0 HG LEU C 255 11.398 -1.245 7.425 1.00 62.12 H new ATOM 0 HD11 LEU C 255 12.659 -1.725 5.371 1.00 35.04 H new ATOM 0 HD12 LEU C 255 11.230 -0.718 5.035 1.00 35.04 H new ATOM 0 HD13 LEU C 255 12.849 0.021 5.081 1.00 35.04 H new ATOM 0 HD21 LEU C 255 13.844 -1.515 7.524 1.00 63.34 H new ATOM 0 HD22 LEU C 255 14.047 0.233 7.256 1.00 63.34 H new ATOM 0 HD23 LEU C 255 13.271 -0.355 8.746 1.00 63.34 H new ATOM 2614 N LYS C 256 11.741 3.554 8.992 1.00 12.13 N ATOM 2615 CA LYS C 256 11.560 5.002 9.140 1.00 12.34 C ATOM 2616 C LYS C 256 10.999 5.633 7.866 1.00 30.14 C ATOM 2617 O LYS C 256 10.141 6.498 7.935 1.00 52.02 O ATOM 2618 CB LYS C 256 12.881 5.682 9.536 1.00 1.51 C ATOM 2619 CG LYS C 256 12.773 7.179 9.878 1.00 3.54 C ATOM 2620 CD LYS C 256 11.887 7.409 11.107 1.00 71.34 C ATOM 2621 CE LYS C 256 11.884 8.875 11.561 1.00 20.13 C ATOM 2622 NZ LYS C 256 11.353 9.809 10.539 1.00 23.21 N ATOM 0 H LYS C 256 12.701 3.240 9.137 1.00 12.13 H new ATOM 0 HA LYS C 256 10.834 5.158 9.938 1.00 12.34 H new ATOM 0 HB2 LYS C 256 13.296 5.158 10.397 1.00 1.51 H new ATOM 0 HB3 LYS C 256 13.591 5.563 8.718 1.00 1.51 H new ATOM 0 HG2 LYS C 256 13.768 7.584 10.064 1.00 3.54 H new ATOM 0 HG3 LYS C 256 12.363 7.720 9.025 1.00 3.54 H new ATOM 0 HD2 LYS C 256 10.867 7.100 10.879 1.00 71.34 H new ATOM 0 HD3 LYS C 256 12.235 6.779 11.925 1.00 71.34 H new ATOM 0 HE2 LYS C 256 11.287 8.965 12.469 1.00 20.13 H new ATOM 0 HE3 LYS C 256 12.902 9.170 11.818 1.00 20.13 H new ATOM 0 HZ1 LYS C 256 11.363 10.778 10.916 1.00 23.21 H new ATOM 0 HZ2 LYS C 256 11.945 9.763 9.685 1.00 23.21 H new ATOM 0 HZ3 LYS C 256 10.377 9.542 10.298 1.00 23.21 H new ATOM 2636 N TRP C 257 11.463 5.180 6.702 1.00 63.52 N ATOM 2637 CA TRP C 257 10.960 5.734 5.453 1.00 20.52 C ATOM 2638 C TRP C 257 9.527 5.292 5.175 1.00 70.13 C ATOM 2639 O TRP C 257 8.781 5.998 4.505 1.00 24.44 O ATOM 2640 CB TRP C 257 11.898 5.502 4.249 1.00 64.45 C ATOM 2641 CG TRP C 257 12.157 4.073 3.869 1.00 3.40 C ATOM 2642 CD1 TRP C 257 13.088 3.227 4.402 1.00 12.12 C ATOM 2643 CD2 TRP C 257 11.498 3.341 2.830 1.00 24.30 C ATOM 2644 NE1 TRP C 257 13.039 2.018 3.761 1.00 44.45 N ATOM 2645 CE2 TRP C 257 12.071 2.062 2.795 1.00 41.52 C ATOM 2646 CE3 TRP C 257 10.470 3.645 1.932 1.00 15.11 C ATOM 2647 CZ2 TRP C 257 11.660 1.089 1.891 1.00 30.53 C ATOM 2648 CZ3 TRP C 257 10.065 2.683 1.037 1.00 23.41 C ATOM 2649 CH2 TRP C 257 10.655 1.418 1.023 1.00 5.14 C ATOM 0 H TRP C 257 12.168 4.450 6.601 1.00 63.52 H new ATOM 0 HA TRP C 257 10.942 6.815 5.590 1.00 20.52 H new ATOM 0 HB2 TRP C 257 11.476 6.014 3.384 1.00 64.45 H new ATOM 0 HB3 TRP C 257 12.855 5.977 4.465 1.00 64.45 H new ATOM 0 HD1 TRP C 257 13.762 3.475 5.209 1.00 12.12 H new ATOM 0 HE1 TRP C 257 13.630 1.213 3.970 1.00 44.45 H new ATOM 0 HE3 TRP C 257 10.002 4.618 1.941 1.00 15.11 H new ATOM 0 HZ2 TRP C 257 12.117 0.110 1.875 1.00 30.53 H new ATOM 0 HZ3 TRP C 257 9.278 2.910 0.333 1.00 23.41 H new ATOM 0 HH2 TRP C 257 10.310 0.683 0.311 1.00 5.14 H new ATOM 2660 N ILE C 258 9.143 4.122 5.702 1.00 74.34 N ATOM 2661 CA ILE C 258 7.760 3.660 5.600 1.00 50.42 C ATOM 2662 C ILE C 258 6.895 4.497 6.537 1.00 62.25 C ATOM 2663 O ILE C 258 5.761 4.845 6.203 1.00 53.30 O ATOM 2664 CB ILE C 258 7.584 2.136 5.923 1.00 71.44 C ATOM 2665 CG1 ILE C 258 8.315 1.251 4.891 1.00 25.42 C ATOM 2666 CG2 ILE C 258 6.100 1.760 5.984 1.00 71.41 C ATOM 2667 CD1 ILE C 258 7.793 1.395 3.474 1.00 61.15 C ATOM 0 H ILE C 258 9.767 3.486 6.198 1.00 74.34 H new ATOM 0 HA ILE C 258 7.449 3.785 4.563 1.00 50.42 H new ATOM 0 HB ILE C 258 8.032 1.957 6.900 1.00 71.44 H new ATOM 0 HG12 ILE C 258 9.377 1.498 4.903 1.00 25.42 H new ATOM 0 HG13 ILE C 258 8.227 0.208 5.195 1.00 25.42 H new ATOM 0 HG21 ILE C 258 6.003 0.698 6.209 1.00 71.41 H new ATOM 0 HG22 ILE C 258 5.609 2.343 6.763 1.00 71.41 H new ATOM 0 HG23 ILE C 258 5.631 1.971 5.023 1.00 71.41 H new ATOM 0 HD11 ILE C 258 8.358 0.741 2.810 1.00 61.15 H new ATOM 0 HD12 ILE C 258 6.739 1.119 3.445 1.00 61.15 H new ATOM 0 HD13 ILE C 258 7.906 2.429 3.148 1.00 61.15 H new ATOM 2679 N GLN C 259 7.457 4.840 7.706 1.00 33.11 N ATOM 2680 CA GLN C 259 6.784 5.722 8.666 1.00 52.14 C ATOM 2681 C GLN C 259 6.438 7.022 7.953 1.00 71.21 C ATOM 2682 O GLN C 259 5.289 7.441 7.911 1.00 23.10 O ATOM 2683 CB GLN C 259 7.726 6.060 9.831 1.00 54.10 C ATOM 2684 CG GLN C 259 8.241 4.878 10.639 1.00 12.22 C ATOM 2685 CD GLN C 259 7.163 4.162 11.390 1.00 33.33 C ATOM 2686 OE1 GLN C 259 6.865 4.510 12.530 1.00 21.41 O ATOM 2687 NE2 GLN C 259 6.589 3.154 10.791 1.00 53.10 N ATOM 0 H GLN C 259 8.377 4.519 8.008 1.00 33.11 H new ATOM 0 HA GLN C 259 5.894 5.224 9.050 1.00 52.14 H new ATOM 0 HB2 GLN C 259 8.583 6.603 9.433 1.00 54.10 H new ATOM 0 HB3 GLN C 259 7.206 6.738 10.508 1.00 54.10 H new ATOM 0 HG2 GLN C 259 8.735 4.175 9.968 1.00 12.22 H new ATOM 0 HG3 GLN C 259 8.994 5.229 11.344 1.00 12.22 H new ATOM 0 HE21 GLN C 259 6.867 2.899 9.843 1.00 53.10 H new ATOM 0 HE22 GLN C 259 5.863 2.622 11.271 1.00 53.10 H new ATOM 2696 N GLU C 260 7.450 7.589 7.320 1.00 54.25 N ATOM 2697 CA GLU C 260 7.343 8.820 6.569 1.00 54.31 C ATOM 2698 C GLU C 260 6.360 8.676 5.417 1.00 43.54 C ATOM 2699 O GLU C 260 5.667 9.622 5.050 1.00 21.21 O ATOM 2700 CB GLU C 260 8.708 9.166 5.990 1.00 53.53 C ATOM 2701 CG GLU C 260 9.788 9.399 7.019 1.00 61.32 C ATOM 2702 CD GLU C 260 9.470 10.540 7.920 1.00 43.41 C ATOM 2703 OE1 GLU C 260 9.588 11.700 7.481 1.00 13.33 O ATOM 2704 OE2 GLU C 260 9.118 10.306 9.083 1.00 34.00 O ATOM 0 H GLU C 260 8.390 7.194 7.316 1.00 54.25 H new ATOM 0 HA GLU C 260 6.990 9.602 7.242 1.00 54.31 H new ATOM 0 HB2 GLU C 260 9.023 8.358 5.329 1.00 53.53 H new ATOM 0 HB3 GLU C 260 8.611 10.061 5.376 1.00 53.53 H new ATOM 0 HG2 GLU C 260 9.922 8.495 7.614 1.00 61.32 H new ATOM 0 HG3 GLU C 260 10.734 9.591 6.513 1.00 61.32 H new ATOM 2711 N TYR C 261 6.326 7.500 4.855 1.00 20.31 N ATOM 2712 CA TYR C 261 5.532 7.198 3.686 1.00 32.54 C ATOM 2713 C TYR C 261 4.054 7.218 4.050 1.00 5.54 C ATOM 2714 O TYR C 261 3.251 7.921 3.419 1.00 3.50 O ATOM 2715 CB TYR C 261 5.931 5.812 3.177 1.00 74.45 C ATOM 2716 CG TYR C 261 5.597 5.519 1.744 1.00 3.34 C ATOM 2717 CD1 TYR C 261 4.306 5.223 1.334 1.00 45.15 C ATOM 2718 CD2 TYR C 261 6.603 5.530 0.793 1.00 14.34 C ATOM 2719 CE1 TYR C 261 4.032 4.948 0.008 1.00 22.41 C ATOM 2720 CE2 TYR C 261 6.350 5.254 -0.521 1.00 62.22 C ATOM 2721 CZ TYR C 261 5.057 4.961 -0.916 1.00 73.14 C ATOM 2722 OH TYR C 261 4.790 4.673 -2.239 1.00 53.55 O ATOM 0 H TYR C 261 6.860 6.703 5.201 1.00 20.31 H new ATOM 0 HA TYR C 261 5.707 7.942 2.908 1.00 32.54 H new ATOM 0 HB2 TYR C 261 7.006 5.693 3.311 1.00 74.45 H new ATOM 0 HB3 TYR C 261 5.447 5.063 3.803 1.00 74.45 H new ATOM 0 HD1 TYR C 261 3.506 5.207 2.059 1.00 45.15 H new ATOM 0 HD2 TYR C 261 7.613 5.763 1.097 1.00 14.34 H new ATOM 0 HE1 TYR C 261 3.022 4.724 -0.303 1.00 22.41 H new ATOM 0 HE2 TYR C 261 7.152 5.264 -1.244 1.00 62.22 H new ATOM 0 HH TYR C 261 5.619 4.726 -2.759 1.00 53.55 H new ATOM 2732 N LEU C 262 3.709 6.469 5.072 1.00 11.12 N ATOM 2733 CA LEU C 262 2.332 6.366 5.519 1.00 13.20 C ATOM 2734 C LEU C 262 1.868 7.688 6.108 1.00 71.34 C ATOM 2735 O LEU C 262 0.802 8.190 5.741 1.00 60.43 O ATOM 2736 CB LEU C 262 2.192 5.248 6.542 1.00 4.21 C ATOM 2737 CG LEU C 262 2.667 3.862 6.097 1.00 54.32 C ATOM 2738 CD1 LEU C 262 2.463 2.845 7.205 1.00 5.22 C ATOM 2739 CD2 LEU C 262 1.976 3.412 4.817 1.00 43.14 C ATOM 0 H LEU C 262 4.369 5.915 5.617 1.00 11.12 H new ATOM 0 HA LEU C 262 1.703 6.131 4.661 1.00 13.20 H new ATOM 0 HB2 LEU C 262 2.748 5.530 7.436 1.00 4.21 H new ATOM 0 HB3 LEU C 262 1.143 5.175 6.829 1.00 4.21 H new ATOM 0 HG LEU C 262 3.733 3.934 5.883 1.00 54.32 H new ATOM 0 HD11 LEU C 262 2.807 1.867 6.869 1.00 5.22 H new ATOM 0 HD12 LEU C 262 3.031 3.147 8.085 1.00 5.22 H new ATOM 0 HD13 LEU C 262 1.404 2.790 7.458 1.00 5.22 H new ATOM 0 HD21 LEU C 262 2.340 2.424 4.535 1.00 43.14 H new ATOM 0 HD22 LEU C 262 0.899 3.368 4.981 1.00 43.14 H new ATOM 0 HD23 LEU C 262 2.193 4.121 4.018 1.00 43.14 H new ATOM 2751 N GLU C 263 2.682 8.261 7.007 1.00 34.24 N ATOM 2752 CA GLU C 263 2.369 9.566 7.617 1.00 70.13 C ATOM 2753 C GLU C 263 2.095 10.681 6.578 1.00 4.32 C ATOM 2754 O GLU C 263 1.278 11.568 6.827 1.00 54.21 O ATOM 2755 CB GLU C 263 3.438 10.001 8.639 1.00 11.11 C ATOM 2756 CG GLU C 263 3.521 9.088 9.860 1.00 22.04 C ATOM 2757 CD GLU C 263 4.537 9.547 10.889 1.00 34.54 C ATOM 2758 OE1 GLU C 263 4.170 10.326 11.793 1.00 2.42 O ATOM 2759 OE2 GLU C 263 5.716 9.136 10.820 1.00 12.42 O ATOM 0 H GLU C 263 3.557 7.846 7.327 1.00 34.24 H new ATOM 0 HA GLU C 263 1.435 9.416 8.158 1.00 70.13 H new ATOM 0 HB2 GLU C 263 4.410 10.026 8.147 1.00 11.11 H new ATOM 0 HB3 GLU C 263 3.222 11.017 8.969 1.00 11.11 H new ATOM 0 HG2 GLU C 263 2.539 9.032 10.330 1.00 22.04 H new ATOM 0 HG3 GLU C 263 3.776 8.080 9.534 1.00 22.04 H new ATOM 2766 N LYS C 264 2.761 10.648 5.417 1.00 74.31 N ATOM 2767 CA LYS C 264 2.469 11.643 4.398 1.00 0.43 C ATOM 2768 C LYS C 264 1.246 11.275 3.567 1.00 23.21 C ATOM 2769 O LYS C 264 0.405 12.124 3.283 1.00 32.34 O ATOM 2770 CB LYS C 264 3.654 11.982 3.518 1.00 42.13 C ATOM 2771 CG LYS C 264 4.202 10.878 2.669 1.00 30.03 C ATOM 2772 CD LYS C 264 5.206 11.447 1.722 1.00 73.12 C ATOM 2773 CE LYS C 264 6.449 11.995 2.426 1.00 25.20 C ATOM 2774 NZ LYS C 264 7.216 10.952 3.131 1.00 30.43 N ATOM 0 H LYS C 264 3.479 9.966 5.172 1.00 74.31 H new ATOM 0 HA LYS C 264 2.235 12.553 4.950 1.00 0.43 H new ATOM 0 HB2 LYS C 264 3.366 12.804 2.862 1.00 42.13 H new ATOM 0 HB3 LYS C 264 4.457 12.350 4.157 1.00 42.13 H new ATOM 0 HG2 LYS C 264 4.665 10.115 3.295 1.00 30.03 H new ATOM 0 HG3 LYS C 264 3.397 10.392 2.117 1.00 30.03 H new ATOM 0 HD2 LYS C 264 5.507 10.675 1.014 1.00 73.12 H new ATOM 0 HD3 LYS C 264 4.741 12.246 1.144 1.00 73.12 H new ATOM 0 HE2 LYS C 264 7.093 12.478 1.691 1.00 25.20 H new ATOM 0 HE3 LYS C 264 6.148 12.762 3.139 1.00 25.20 H new ATOM 0 HZ1 LYS C 264 8.097 11.360 3.502 1.00 30.43 H new ATOM 0 HZ2 LYS C 264 6.650 10.577 3.918 1.00 30.43 H new ATOM 0 HZ3 LYS C 264 7.443 10.182 2.470 1.00 30.43 H new ATOM 2788 N CYS C 265 1.131 10.000 3.207 1.00 22.33 N ATOM 2789 CA CYS C 265 -0.011 9.484 2.432 1.00 4.25 C ATOM 2790 C CYS C 265 -1.341 9.724 3.159 1.00 5.22 C ATOM 2791 O CYS C 265 -2.376 9.879 2.523 1.00 33.33 O ATOM 2792 CB CYS C 265 0.170 7.978 2.138 1.00 10.14 C ATOM 2793 SG CYS C 265 -1.218 7.192 1.231 1.00 43.51 S ATOM 0 H CYS C 265 1.824 9.289 3.441 1.00 22.33 H new ATOM 0 HA CYS C 265 -0.041 10.029 1.489 1.00 4.25 H new ATOM 0 HB2 CYS C 265 1.084 7.843 1.560 1.00 10.14 H new ATOM 0 HB3 CYS C 265 0.310 7.453 3.083 1.00 10.14 H new ATOM 2798 N LEU C 266 -1.275 9.788 4.484 1.00 50.32 N ATOM 2799 CA LEU C 266 -2.420 9.983 5.347 1.00 2.32 C ATOM 2800 C LEU C 266 -3.188 11.261 4.927 1.00 72.53 C ATOM 2801 O LEU C 266 -4.389 11.220 4.671 1.00 44.44 O ATOM 2802 CB LEU C 266 -1.897 10.107 6.806 1.00 32.23 C ATOM 2803 CG LEU C 266 -2.879 9.860 7.972 1.00 73.51 C ATOM 2804 CD1 LEU C 266 -4.063 10.782 7.951 1.00 65.40 C ATOM 2805 CD2 LEU C 266 -3.329 8.425 7.988 1.00 63.11 C ATOM 0 H LEU C 266 -0.397 9.703 4.995 1.00 50.32 H new ATOM 0 HA LEU C 266 -3.110 9.142 5.270 1.00 2.32 H new ATOM 0 HB2 LEU C 266 -1.068 9.409 6.920 1.00 32.23 H new ATOM 0 HB3 LEU C 266 -1.488 11.110 6.926 1.00 32.23 H new ATOM 0 HG LEU C 266 -2.332 10.078 8.889 1.00 73.51 H new ATOM 0 HD11 LEU C 266 -4.714 10.557 8.796 1.00 65.40 H new ATOM 0 HD12 LEU C 266 -3.721 11.815 8.021 1.00 65.40 H new ATOM 0 HD13 LEU C 266 -4.615 10.645 7.021 1.00 65.40 H new ATOM 0 HD21 LEU C 266 -4.020 8.270 8.816 1.00 63.11 H new ATOM 0 HD22 LEU C 266 -3.830 8.190 7.049 1.00 63.11 H new ATOM 0 HD23 LEU C 266 -2.464 7.774 8.111 1.00 63.11 H new ATOM 2817 N ASN C 267 -2.475 12.376 4.836 1.00 3.11 N ATOM 2818 CA ASN C 267 -3.098 13.670 4.503 1.00 3.22 C ATOM 2819 C ASN C 267 -3.397 13.778 3.028 1.00 53.00 C ATOM 2820 O ASN C 267 -4.318 14.487 2.611 1.00 72.22 O ATOM 2821 CB ASN C 267 -2.207 14.844 4.926 1.00 34.34 C ATOM 2822 CG ASN C 267 -1.993 14.927 6.419 1.00 33.35 C ATOM 2823 OD1 ASN C 267 -1.062 14.330 6.961 1.00 71.12 O ATOM 2824 ND2 ASN C 267 -2.829 15.673 7.094 1.00 51.42 N ATOM 0 H ASN C 267 -1.467 12.420 4.986 1.00 3.11 H new ATOM 0 HA ASN C 267 -4.036 13.717 5.057 1.00 3.22 H new ATOM 0 HB2 ASN C 267 -1.240 14.753 4.432 1.00 34.34 H new ATOM 0 HB3 ASN C 267 -2.656 15.775 4.578 1.00 34.34 H new ATOM 0 HD21 ASN C 267 -2.721 15.775 8.103 1.00 51.42 H new ATOM 0 HD22 ASN C 267 -3.589 16.153 6.611 1.00 51.42 H new ATOM 3120 N GLY D 319 13.286 -11.725 2.988 1.00 34.44 N ATOM 3121 CA GLY D 319 14.407 -11.842 3.849 1.00 60.15 C ATOM 3122 C GLY D 319 15.654 -11.368 3.178 1.00 33.04 C ATOM 3123 O GLY D 319 15.584 -10.611 2.206 1.00 74.43 O ATOM 0 HA2 GLY D 319 14.235 -11.261 4.755 1.00 60.15 H new ATOM 0 HA3 GLY D 319 14.528 -12.881 4.154 1.00 60.15 H new ATOM 3127 N ASP D 320 16.794 -11.775 3.723 1.00 71.40 N ATOM 3128 CA ASP D 320 18.120 -11.574 3.101 1.00 4.20 C ATOM 3129 C ASP D 320 18.665 -10.144 3.180 1.00 72.55 C ATOM 3130 O ASP D 320 19.830 -9.952 3.536 1.00 72.01 O ATOM 3131 CB ASP D 320 18.083 -12.058 1.692 1.00 0.13 C ATOM 3132 CG ASP D 320 19.428 -12.040 1.005 1.00 53.54 C ATOM 3133 OD1 ASP D 320 20.210 -12.990 1.196 1.00 22.12 O ATOM 3134 OD2 ASP D 320 19.709 -11.096 0.241 1.00 3.24 O ATOM 0 H ASP D 320 16.836 -12.260 4.619 1.00 71.40 H new ATOM 0 HA ASP D 320 18.824 -12.162 3.690 1.00 4.20 H new ATOM 0 HB2 ASP D 320 17.692 -13.075 1.677 1.00 0.13 H new ATOM 0 HB3 ASP D 320 17.387 -11.441 1.124 1.00 0.13 H new ATOM 3163 N ASP D 322 19.065 -7.964 5.235 1.00 23.14 N ATOM 3164 CA ASP D 322 19.065 -7.866 6.695 1.00 51.42 C ATOM 3165 C ASP D 322 17.813 -8.509 7.225 1.00 72.32 C ATOM 3166 O ASP D 322 17.861 -9.605 7.790 1.00 24.21 O ATOM 3167 CB ASP D 322 19.247 -6.442 7.206 1.00 73.21 C ATOM 3168 CG ASP D 322 20.654 -5.917 7.019 1.00 14.23 C ATOM 3169 OD1 ASP D 322 20.971 -5.390 5.938 1.00 31.01 O ATOM 3170 OD2 ASP D 322 21.458 -6.020 7.969 1.00 21.42 O ATOM 0 HA ASP D 322 19.935 -8.403 7.073 1.00 51.42 H new ATOM 0 HB2 ASP D 322 18.549 -5.785 6.687 1.00 73.21 H new ATOM 0 HB3 ASP D 322 18.991 -6.407 8.265 1.00 73.21 H new ATOM 3175 N SER D 323 16.708 -7.839 7.020 1.00 11.21 N ATOM 3176 CA SER D 323 15.400 -8.365 7.244 1.00 2.44 C ATOM 3177 C SER D 323 15.026 -8.548 8.747 1.00 1.31 C ATOM 3178 O SER D 323 15.119 -9.648 9.273 1.00 44.33 O ATOM 3179 CB SER D 323 15.180 -9.648 6.347 1.00 24.41 C ATOM 3180 OG SER D 323 13.900 -10.225 6.522 1.00 13.01 O ATOM 0 H SER D 323 16.702 -6.877 6.680 1.00 11.21 H new ATOM 0 HA SER D 323 14.679 -7.613 6.923 1.00 2.44 H new ATOM 0 HB2 SER D 323 15.313 -9.380 5.299 1.00 24.41 H new ATOM 0 HB3 SER D 323 15.943 -10.388 6.586 1.00 24.41 H new ATOM 0 HG SER D 323 13.258 -9.527 6.768 1.00 13.01 H new ATOM 3186 N MET D 324 14.710 -7.389 9.417 1.00 31.12 N ATOM 3187 CA MET D 324 14.155 -7.242 10.834 1.00 63.13 C ATOM 3188 C MET D 324 14.319 -5.814 11.366 1.00 14.10 C ATOM 3189 O MET D 324 15.436 -5.310 11.463 1.00 22.21 O ATOM 3190 CB MET D 324 14.712 -8.225 11.902 1.00 14.02 C ATOM 3191 CG MET D 324 14.042 -9.590 11.936 1.00 20.10 C ATOM 3192 SD MET D 324 14.641 -10.643 13.278 1.00 3.25 S ATOM 3193 CE MET D 324 16.372 -10.802 12.857 1.00 34.43 C ATOM 0 H MET D 324 14.837 -6.480 8.972 1.00 31.12 H new ATOM 0 HA MET D 324 13.105 -7.500 10.698 1.00 63.13 H new ATOM 0 HB2 MET D 324 15.778 -8.365 11.723 1.00 14.02 H new ATOM 0 HB3 MET D 324 14.612 -7.764 12.885 1.00 14.02 H new ATOM 0 HG2 MET D 324 12.965 -9.457 12.040 1.00 20.10 H new ATOM 0 HG3 MET D 324 14.210 -10.094 10.984 1.00 20.10 H new ATOM 0 HE1 MET D 324 16.695 -11.829 13.028 1.00 34.43 H new ATOM 0 HE2 MET D 324 16.516 -10.546 11.807 1.00 34.43 H new ATOM 0 HE3 MET D 324 16.961 -10.128 13.479 1.00 34.43 H new ATOM 3203 N LYS D 325 13.195 -5.171 11.693 1.00 22.04 N ATOM 3204 CA LYS D 325 13.148 -3.820 12.268 1.00 40.22 C ATOM 3205 C LYS D 325 11.884 -3.640 13.109 1.00 70.24 C ATOM 3206 O LYS D 325 11.094 -4.562 13.263 1.00 11.12 O ATOM 3207 CB LYS D 325 13.133 -2.757 11.160 1.00 42.22 C ATOM 3208 CG LYS D 325 14.448 -2.503 10.467 1.00 44.12 C ATOM 3209 CD LYS D 325 15.394 -1.666 11.321 1.00 42.23 C ATOM 3210 CE LYS D 325 15.017 -0.156 11.364 1.00 0.34 C ATOM 3211 NZ LYS D 325 13.707 0.169 12.021 1.00 51.33 N ATOM 0 H LYS D 325 12.271 -5.583 11.563 1.00 22.04 H new ATOM 0 HA LYS D 325 14.036 -3.699 12.889 1.00 40.22 H new ATOM 0 HB2 LYS D 325 12.401 -3.054 10.409 1.00 42.22 H new ATOM 0 HB3 LYS D 325 12.785 -1.818 11.590 1.00 42.22 H new ATOM 0 HG2 LYS D 325 14.922 -3.455 10.229 1.00 44.12 H new ATOM 0 HG3 LYS D 325 14.266 -1.992 9.521 1.00 44.12 H new ATOM 0 HD2 LYS D 325 15.399 -2.060 12.337 1.00 42.23 H new ATOM 0 HD3 LYS D 325 16.408 -1.769 10.934 1.00 42.23 H new ATOM 0 HE2 LYS D 325 15.808 0.382 11.886 1.00 0.34 H new ATOM 0 HE3 LYS D 325 14.994 0.223 10.342 1.00 0.34 H new ATOM 0 HZ1 LYS D 325 13.724 1.151 12.363 1.00 51.33 H new ATOM 0 HZ2 LYS D 325 12.936 0.056 11.332 1.00 51.33 H new ATOM 0 HZ3 LYS D 325 13.552 -0.474 12.823 1.00 51.33 H new ATOM 3225 N GLU D 326 11.746 -2.463 13.680 1.00 43.12 N ATOM 3226 CA GLU D 326 10.548 -2.006 14.347 1.00 50.34 C ATOM 3227 C GLU D 326 10.548 -0.473 14.342 1.00 43.13 C ATOM 3228 O GLU D 326 11.618 0.118 14.130 1.00 63.34 O ATOM 3229 CB GLU D 326 10.343 -2.648 15.723 1.00 45.41 C ATOM 3230 CG GLU D 326 11.493 -2.563 16.672 1.00 11.32 C ATOM 3231 CD GLU D 326 11.155 -3.244 17.963 1.00 62.31 C ATOM 3232 OE1 GLU D 326 11.229 -4.492 18.033 1.00 32.55 O ATOM 3233 OE2 GLU D 326 10.801 -2.554 18.925 1.00 62.25 O ATOM 0 H GLU D 326 12.496 -1.771 13.692 1.00 43.12 H new ATOM 0 HA GLU D 326 9.668 -2.341 13.798 1.00 50.34 H new ATOM 0 HB2 GLU D 326 9.477 -2.181 16.192 1.00 45.41 H new ATOM 0 HB3 GLU D 326 10.098 -3.700 15.576 1.00 45.41 H new ATOM 0 HG2 GLU D 326 12.374 -3.027 16.228 1.00 11.32 H new ATOM 0 HG3 GLU D 326 11.742 -1.518 16.859 1.00 11.32 H new ATOM 3240 N PRO D 327 9.380 0.213 14.542 1.00 34.42 N ATOM 3241 CA PRO D 327 9.299 1.648 14.313 1.00 34.30 C ATOM 3242 C PRO D 327 9.827 2.497 15.430 1.00 70.55 C ATOM 3243 O PRO D 327 10.405 3.553 15.187 1.00 15.43 O ATOM 3244 CB PRO D 327 7.808 1.888 14.101 1.00 22.32 C ATOM 3245 CG PRO D 327 7.127 0.840 14.916 1.00 11.30 C ATOM 3246 CD PRO D 327 8.073 -0.334 15.007 1.00 24.21 C ATOM 0 HA PRO D 327 9.928 1.937 13.471 1.00 34.30 H new ATOM 0 HB2 PRO D 327 7.520 2.888 14.424 1.00 22.32 H new ATOM 0 HB3 PRO D 327 7.541 1.804 13.048 1.00 22.32 H new ATOM 0 HG2 PRO D 327 6.887 1.220 15.909 1.00 11.30 H new ATOM 0 HG3 PRO D 327 6.186 0.542 14.453 1.00 11.30 H new ATOM 0 HD2 PRO D 327 8.140 -0.713 16.027 1.00 24.21 H new ATOM 0 HD3 PRO D 327 7.742 -1.162 14.380 1.00 24.21 H new