USER MOD reduce.3.24.130724 H: found=0, std=0, add=1059, rem=0, adj=19 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 231 THR OG1 : rot -106:sc= 0.808 USER MOD Set 1.2: C 237 GLN :FLIP amide:sc= -2.78! C(o=-2.5!,f=-2!) USER MOD Set 2.1: A 64 LYS NZ :NH3+ 176:sc= 1.32 (180deg=0) USER MOD Set 2.2: C 230 ASN : amide:sc= -2.28! C(o=-0.96!,f=-9.7!) USER MOD Set 3.1: C 216 SER OG : rot 131:sc= 0.06 USER MOD Set 3.2: C 217 HIS : no HD1:sc= -0.0558 X(o=0.0042,f=-0.18) USER MOD Set 4.1: A 16 SER OG : rot 140:sc= 0.716 USER MOD Set 4.2: A 17 HIS : no HD1:sc= -0.17 X(o=0.55,f=0.9) USER MOD Single : A 22 ASN :FLIP amide:sc= -0.488 F(o=-2.7!,f=-0.49) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 HIS :FLIP no HD1:sc= -0.452 F(o=-2.6,f=-0.45) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 THR OG1 : rot 57:sc= -2.3! USER MOD Single : A 33 ASN : amide:sc= -0.481 X(o=-0.48,f=-0.11) USER MOD Single : A 37 GLN : amide:sc= -0.825 K(o=-0.82,f=-3.2!) USER MOD Single : A 43 LYS NZ :NH3+ 178:sc= 0.247 (180deg=0.246) USER MOD Single : A 48 GLN : amide:sc= -0.706 K(o=-0.71,f=-1.4) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= -0.087 X(o=-0.087,f=-0.44) USER MOD Single : A 61 TYR OH : rot -130:sc= 0 USER MOD Single : A 67 ASN :FLIP amide:sc= -1.52 F(o=-3!,f=-1.5) USER MOD Single : B 123 SER OG : rot -50:sc= 0.0644 USER MOD Single : B 124 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 125 LYS NZ :NH3+ 175:sc=-0.000163 (180deg=-0.0498) USER MOD Single : C 222 ASN : amide:sc= -1.44 K(o=-1.4,f=-6!) USER MOD Single : C 224 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 225 HIS : no HD1:sc= -1.37 X(o=-1.4,f=-1.7!) USER MOD Single : C 227 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 233 ASN :FLIP amide:sc= 0 F(o=-0.67,f=0) USER MOD Single : C 243 LYS NZ :NH3+ 180:sc= 0.446 (180deg=0.446) USER MOD Single : C 248 GLN : amide:sc= -0.701 K(o=-0.7,f=-1.5) USER MOD Single : C 254 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 256 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 259 GLN :FLIP amide:sc= -2.09! C(o=-2.8!,f=-2.1!) USER MOD Single : C 261 TYR OH : rot 150:sc= -0.241 USER MOD Single : C 264 LYS NZ :NH3+ 176:sc=-0.00171 (180deg=-0.0286) USER MOD Single : C 267 ASN : amide:sc= 0.315 K(o=0.31,f=-0.98) USER MOD Single : D 323 SER OG : rot -26:sc= -0.0346 USER MOD Single : D 324 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : D 325 LYS NZ :NH3+ 173:sc=-0.00622 (180deg=-0.0644) USER MOD ----------------------------------------------------------------- ATOM 115 N ARG A 8 0.329 11.913 -15.678 1.00 45.32 N ATOM 116 CA ARG A 8 -1.006 11.420 -15.638 1.00 23.21 C ATOM 117 C ARG A 8 -1.062 10.377 -14.539 1.00 3.15 C ATOM 118 O ARG A 8 -0.032 9.797 -14.191 1.00 40.33 O ATOM 119 CB ARG A 8 -1.340 10.761 -16.992 1.00 75.02 C ATOM 120 CG ARG A 8 -2.753 10.214 -17.102 1.00 22.33 C ATOM 121 CD ARG A 8 -2.957 9.461 -18.395 1.00 15.01 C ATOM 122 NE ARG A 8 -4.315 8.926 -18.505 1.00 41.40 N ATOM 123 CZ ARG A 8 -4.662 7.849 -19.216 1.00 33.02 C ATOM 124 NH1 ARG A 8 -3.739 7.160 -19.898 1.00 51.34 N ATOM 125 NH2 ARG A 8 -5.929 7.467 -19.250 1.00 43.22 N ATOM 0 HA ARG A 8 -1.720 12.222 -15.449 1.00 23.21 H new ATOM 0 HB2 ARG A 8 -1.186 11.493 -17.785 1.00 75.02 H new ATOM 0 HB3 ARG A 8 -0.636 9.948 -17.168 1.00 75.02 H new ATOM 0 HG2 ARG A 8 -2.955 9.553 -16.259 1.00 22.33 H new ATOM 0 HG3 ARG A 8 -3.468 11.035 -17.041 1.00 22.33 H new ATOM 0 HD2 ARG A 8 -2.759 10.124 -19.237 1.00 15.01 H new ATOM 0 HD3 ARG A 8 -2.238 8.644 -18.457 1.00 15.01 H new ATOM 0 HE ARG A 8 -5.055 9.414 -17.999 1.00 41.40 H new ATOM 0 HH11 ARG A 8 -2.763 7.456 -19.877 1.00 51.34 H new ATOM 0 HH12 ARG A 8 -4.012 6.339 -20.438 1.00 51.34 H new ATOM 0 HH21 ARG A 8 -6.635 7.994 -18.735 1.00 43.22 H new ATOM 0 HH22 ARG A 8 -6.200 6.646 -19.791 1.00 43.22 H new ATOM 139 N CYS A 9 -2.204 10.162 -13.976 1.00 54.32 N ATOM 140 CA CYS A 9 -2.351 9.100 -13.025 1.00 42.21 C ATOM 141 C CYS A 9 -3.137 7.980 -13.675 1.00 33.25 C ATOM 142 O CYS A 9 -4.080 8.254 -14.437 1.00 41.54 O ATOM 143 CB CYS A 9 -3.054 9.581 -11.750 1.00 30.31 C ATOM 144 SG CYS A 9 -2.200 10.892 -10.900 1.00 74.24 S ATOM 0 H CYS A 9 -3.050 10.703 -14.154 1.00 54.32 H new ATOM 0 HA CYS A 9 -1.364 8.744 -12.730 1.00 42.21 H new ATOM 0 HB2 CYS A 9 -4.057 9.922 -12.007 1.00 30.31 H new ATOM 0 HB3 CYS A 9 -3.169 8.736 -11.071 1.00 30.31 H new ATOM 149 N PRO A 10 -2.732 6.706 -13.444 1.00 2.53 N ATOM 150 CA PRO A 10 -3.454 5.526 -13.955 1.00 44.34 C ATOM 151 C PRO A 10 -4.933 5.603 -13.576 1.00 60.04 C ATOM 152 O PRO A 10 -5.832 5.334 -14.382 1.00 11.10 O ATOM 153 CB PRO A 10 -2.764 4.343 -13.219 1.00 34.00 C ATOM 154 CG PRO A 10 -1.886 4.967 -12.182 1.00 55.02 C ATOM 155 CD PRO A 10 -1.531 6.319 -12.694 1.00 15.35 C ATOM 0 HA PRO A 10 -3.419 5.435 -15.041 1.00 44.34 H new ATOM 0 HB2 PRO A 10 -3.501 3.683 -12.762 1.00 34.00 H new ATOM 0 HB3 PRO A 10 -2.181 3.737 -13.913 1.00 34.00 H new ATOM 0 HG2 PRO A 10 -2.404 5.037 -11.225 1.00 55.02 H new ATOM 0 HG3 PRO A 10 -0.991 4.366 -12.017 1.00 55.02 H new ATOM 0 HD2 PRO A 10 -1.318 7.016 -11.883 1.00 15.35 H new ATOM 0 HD3 PRO A 10 -0.647 6.291 -13.331 1.00 15.35 H new ATOM 163 N CYS A 11 -5.154 5.996 -12.360 1.00 21.34 N ATOM 164 CA CYS A 11 -6.456 6.200 -11.828 1.00 41.11 C ATOM 165 C CYS A 11 -6.739 7.686 -11.911 1.00 11.34 C ATOM 166 O CYS A 11 -5.933 8.484 -11.441 1.00 72.40 O ATOM 167 CB CYS A 11 -6.435 5.768 -10.380 1.00 15.25 C ATOM 168 SG CYS A 11 -5.662 4.135 -10.139 1.00 23.31 S ATOM 0 H CYS A 11 -4.406 6.188 -11.693 1.00 21.34 H new ATOM 0 HA CYS A 11 -7.216 5.636 -12.369 1.00 41.11 H new ATOM 0 HB2 CYS A 11 -5.895 6.510 -9.792 1.00 15.25 H new ATOM 0 HB3 CYS A 11 -7.456 5.741 -9.999 1.00 15.25 H new ATOM 173 N ARG A 12 -7.836 8.071 -12.521 1.00 32.24 N ATOM 174 CA ARG A 12 -8.124 9.486 -12.649 1.00 22.33 C ATOM 175 C ARG A 12 -8.798 9.936 -11.353 1.00 14.12 C ATOM 176 O ARG A 12 -8.320 10.849 -10.676 1.00 41.52 O ATOM 177 CB ARG A 12 -9.025 9.721 -13.873 1.00 52.12 C ATOM 178 CG ARG A 12 -8.937 11.112 -14.576 1.00 41.21 C ATOM 179 CD ARG A 12 -9.390 12.336 -13.755 1.00 40.21 C ATOM 180 NE ARG A 12 -8.487 12.708 -12.652 1.00 54.23 N ATOM 181 CZ ARG A 12 -8.325 13.960 -12.193 1.00 53.22 C ATOM 182 NH1 ARG A 12 -9.006 14.968 -12.742 1.00 40.53 N ATOM 183 NH2 ARG A 12 -7.486 14.199 -11.185 1.00 14.21 N ATOM 0 H ARG A 12 -8.530 7.444 -12.928 1.00 32.24 H new ATOM 0 HA ARG A 12 -7.215 10.067 -12.803 1.00 22.33 H new ATOM 0 HB2 ARG A 12 -8.794 8.955 -14.613 1.00 52.12 H new ATOM 0 HB3 ARG A 12 -10.059 9.565 -13.565 1.00 52.12 H new ATOM 0 HG2 ARG A 12 -7.904 11.273 -14.883 1.00 41.21 H new ATOM 0 HG3 ARG A 12 -9.537 11.072 -15.485 1.00 41.21 H new ATOM 0 HD2 ARG A 12 -9.492 13.189 -14.426 1.00 40.21 H new ATOM 0 HD3 ARG A 12 -10.379 12.134 -13.344 1.00 40.21 H new ATOM 0 HE ARG A 12 -7.949 11.965 -12.207 1.00 54.23 H new ATOM 0 HH11 ARG A 12 -9.651 14.788 -13.512 1.00 40.53 H new ATOM 0 HH12 ARG A 12 -8.882 15.918 -12.392 1.00 40.53 H new ATOM 0 HH21 ARG A 12 -6.966 13.431 -10.761 1.00 14.21 H new ATOM 0 HH22 ARG A 12 -7.364 15.150 -10.838 1.00 14.21 H new ATOM 197 N PHE A 13 -9.883 9.288 -11.015 1.00 30.33 N ATOM 198 CA PHE A 13 -10.578 9.559 -9.775 1.00 3.23 C ATOM 199 C PHE A 13 -10.299 8.461 -8.782 1.00 1.34 C ATOM 200 O PHE A 13 -9.940 7.336 -9.167 1.00 22.25 O ATOM 201 CB PHE A 13 -12.091 9.741 -9.987 1.00 64.02 C ATOM 202 CG PHE A 13 -12.470 11.021 -10.695 1.00 22.01 C ATOM 203 CD1 PHE A 13 -12.334 11.148 -12.063 1.00 65.32 C ATOM 204 CD2 PHE A 13 -12.958 12.098 -9.975 1.00 43.22 C ATOM 205 CE1 PHE A 13 -12.681 12.323 -12.701 1.00 5.41 C ATOM 206 CE2 PHE A 13 -13.303 13.276 -10.608 1.00 74.41 C ATOM 207 CZ PHE A 13 -13.164 13.387 -11.972 1.00 43.21 C ATOM 0 H PHE A 13 -10.311 8.560 -11.586 1.00 30.33 H new ATOM 0 HA PHE A 13 -10.202 10.502 -9.378 1.00 3.23 H new ATOM 0 HB2 PHE A 13 -12.470 8.896 -10.562 1.00 64.02 H new ATOM 0 HB3 PHE A 13 -12.588 9.715 -9.017 1.00 64.02 H new ATOM 0 HD1 PHE A 13 -11.952 10.319 -12.641 1.00 65.32 H new ATOM 0 HD2 PHE A 13 -13.070 12.016 -8.904 1.00 43.22 H new ATOM 0 HE1 PHE A 13 -12.573 12.407 -13.772 1.00 5.41 H new ATOM 0 HE2 PHE A 13 -13.681 14.108 -10.033 1.00 74.41 H new ATOM 0 HZ PHE A 13 -13.433 14.307 -12.470 1.00 43.21 H new ATOM 217 N PHE A 14 -10.451 8.778 -7.529 1.00 12.22 N ATOM 218 CA PHE A 14 -10.167 7.859 -6.464 1.00 70.53 C ATOM 219 C PHE A 14 -11.414 7.599 -5.632 1.00 53.15 C ATOM 220 O PHE A 14 -12.098 8.531 -5.176 1.00 72.02 O ATOM 221 CB PHE A 14 -8.955 8.326 -5.631 1.00 2.11 C ATOM 222 CG PHE A 14 -8.470 9.714 -5.982 1.00 4.44 C ATOM 223 CD1 PHE A 14 -9.003 10.815 -5.371 1.00 52.21 C ATOM 224 CD2 PHE A 14 -7.487 9.899 -6.942 1.00 24.33 C ATOM 225 CE1 PHE A 14 -8.575 12.090 -5.694 1.00 15.01 C ATOM 226 CE2 PHE A 14 -7.052 11.166 -7.277 1.00 42.15 C ATOM 227 CZ PHE A 14 -7.598 12.264 -6.651 1.00 13.55 C ATOM 0 H PHE A 14 -10.779 9.691 -7.214 1.00 12.22 H new ATOM 0 HA PHE A 14 -9.879 6.899 -6.892 1.00 70.53 H new ATOM 0 HB2 PHE A 14 -9.221 8.301 -4.574 1.00 2.11 H new ATOM 0 HB3 PHE A 14 -8.137 7.620 -5.770 1.00 2.11 H new ATOM 0 HD1 PHE A 14 -9.772 10.687 -4.623 1.00 52.21 H new ATOM 0 HD2 PHE A 14 -7.055 9.040 -7.435 1.00 24.33 H new ATOM 0 HE1 PHE A 14 -9.005 12.947 -5.198 1.00 15.01 H new ATOM 0 HE2 PHE A 14 -6.286 11.295 -8.027 1.00 42.15 H new ATOM 0 HZ PHE A 14 -7.262 13.258 -6.909 1.00 13.55 H new ATOM 237 N GLU A 15 -11.697 6.335 -5.473 1.00 23.22 N ATOM 238 CA GLU A 15 -12.904 5.801 -4.892 1.00 71.25 C ATOM 239 C GLU A 15 -13.066 6.144 -3.416 1.00 53.54 C ATOM 240 O GLU A 15 -12.078 6.303 -2.684 1.00 13.43 O ATOM 241 CB GLU A 15 -12.933 4.277 -5.128 1.00 42.31 C ATOM 242 CG GLU A 15 -14.213 3.615 -4.731 1.00 2.35 C ATOM 243 CD GLU A 15 -15.368 4.310 -5.353 1.00 75.12 C ATOM 244 OE1 GLU A 15 -15.591 4.156 -6.561 1.00 42.53 O ATOM 245 OE2 GLU A 15 -16.035 5.069 -4.634 1.00 42.34 O ATOM 0 H GLU A 15 -11.051 5.601 -5.764 1.00 23.22 H new ATOM 0 HA GLU A 15 -13.755 6.270 -5.385 1.00 71.25 H new ATOM 0 HB2 GLU A 15 -12.750 4.082 -6.185 1.00 42.31 H new ATOM 0 HB3 GLU A 15 -12.114 3.820 -4.572 1.00 42.31 H new ATOM 0 HG2 GLU A 15 -14.200 2.570 -5.039 1.00 2.35 H new ATOM 0 HG3 GLU A 15 -14.315 3.626 -3.646 1.00 2.35 H new ATOM 252 N SER A 16 -14.320 6.238 -2.991 1.00 42.44 N ATOM 253 CA SER A 16 -14.637 6.593 -1.657 1.00 64.14 C ATOM 254 C SER A 16 -15.688 5.667 -1.018 1.00 50.41 C ATOM 255 O SER A 16 -15.604 5.371 0.170 1.00 62.15 O ATOM 256 CB SER A 16 -15.064 8.054 -1.587 1.00 24.32 C ATOM 257 OG SER A 16 -16.205 8.311 -2.400 1.00 3.12 O ATOM 0 H SER A 16 -15.133 6.065 -3.582 1.00 42.44 H new ATOM 0 HA SER A 16 -13.730 6.462 -1.067 1.00 64.14 H new ATOM 0 HB2 SER A 16 -15.287 8.318 -0.553 1.00 24.32 H new ATOM 0 HB3 SER A 16 -14.239 8.690 -1.908 1.00 24.32 H new ATOM 0 HG SER A 16 -16.810 8.923 -1.931 1.00 3.12 H new ATOM 263 N HIS A 17 -16.655 5.184 -1.803 1.00 51.53 N ATOM 264 CA HIS A 17 -17.730 4.333 -1.245 1.00 33.32 C ATOM 265 C HIS A 17 -17.372 2.864 -1.312 1.00 2.21 C ATOM 266 O HIS A 17 -18.220 1.988 -1.135 1.00 2.12 O ATOM 267 CB HIS A 17 -19.094 4.602 -1.897 1.00 2.12 C ATOM 268 CG HIS A 17 -19.730 5.908 -1.511 1.00 31.24 C ATOM 269 ND1 HIS A 17 -21.067 6.030 -1.219 1.00 73.22 N ATOM 270 CD2 HIS A 17 -19.213 7.154 -1.394 1.00 61.42 C ATOM 271 CE1 HIS A 17 -21.346 7.285 -0.941 1.00 34.14 C ATOM 272 NE2 HIS A 17 -20.237 7.990 -1.037 1.00 71.02 N ATOM 0 H HIS A 17 -16.724 5.358 -2.806 1.00 51.53 H new ATOM 0 HA HIS A 17 -17.823 4.607 -0.194 1.00 33.32 H new ATOM 0 HB2 HIS A 17 -18.974 4.578 -2.980 1.00 2.12 H new ATOM 0 HB3 HIS A 17 -19.773 3.791 -1.634 1.00 2.12 H new ATOM 0 HD2 HIS A 17 -18.183 7.436 -1.553 1.00 61.42 H new ATOM 0 HE1 HIS A 17 -22.319 7.672 -0.678 1.00 34.14 H new ATOM 0 HE2 HIS A 17 -20.155 8.993 -0.872 1.00 71.02 H new ATOM 281 N VAL A 18 -16.116 2.620 -1.541 1.00 12.44 N ATOM 282 CA VAL A 18 -15.534 1.296 -1.520 1.00 30.14 C ATOM 283 C VAL A 18 -15.711 0.660 -0.104 1.00 3.55 C ATOM 284 O VAL A 18 -15.791 1.377 0.912 1.00 64.34 O ATOM 285 CB VAL A 18 -14.026 1.397 -1.889 1.00 74.43 C ATOM 286 CG1 VAL A 18 -13.338 2.402 -0.991 1.00 1.41 C ATOM 287 CG2 VAL A 18 -13.337 0.035 -1.834 1.00 10.11 C ATOM 0 H VAL A 18 -15.441 3.354 -1.755 1.00 12.44 H new ATOM 0 HA VAL A 18 -16.038 0.659 -2.247 1.00 30.14 H new ATOM 0 HB VAL A 18 -13.950 1.745 -2.919 1.00 74.43 H new ATOM 0 HG11 VAL A 18 -12.283 2.465 -1.257 1.00 1.41 H new ATOM 0 HG12 VAL A 18 -13.803 3.380 -1.116 1.00 1.41 H new ATOM 0 HG13 VAL A 18 -13.432 2.086 0.048 1.00 1.41 H new ATOM 0 HG21 VAL A 18 -12.286 0.148 -2.098 1.00 10.11 H new ATOM 0 HG22 VAL A 18 -13.416 -0.372 -0.826 1.00 10.11 H new ATOM 0 HG23 VAL A 18 -13.817 -0.644 -2.539 1.00 10.11 H new ATOM 297 N ALA A 19 -15.789 -0.650 -0.047 1.00 11.02 N ATOM 298 CA ALA A 19 -16.002 -1.345 1.196 1.00 2.10 C ATOM 299 C ALA A 19 -14.710 -1.971 1.724 1.00 15.35 C ATOM 300 O ALA A 19 -14.002 -2.668 0.993 1.00 52.24 O ATOM 301 CB ALA A 19 -17.085 -2.399 1.028 1.00 13.34 C ATOM 0 H ALA A 19 -15.706 -1.260 -0.860 1.00 11.02 H new ATOM 0 HA ALA A 19 -16.332 -0.616 1.936 1.00 2.10 H new ATOM 0 HB1 ALA A 19 -17.237 -2.918 1.974 1.00 13.34 H new ATOM 0 HB2 ALA A 19 -18.015 -1.920 0.723 1.00 13.34 H new ATOM 0 HB3 ALA A 19 -16.780 -3.116 0.266 1.00 13.34 H new ATOM 307 N ARG A 20 -14.441 -1.723 3.003 1.00 73.31 N ATOM 308 CA ARG A 20 -13.263 -2.231 3.738 1.00 72.42 C ATOM 309 C ARG A 20 -13.096 -3.749 3.609 1.00 41.23 C ATOM 310 O ARG A 20 -12.000 -4.247 3.361 1.00 41.12 O ATOM 311 CB ARG A 20 -13.431 -1.854 5.231 1.00 24.31 C ATOM 312 CG ARG A 20 -12.601 -2.682 6.226 1.00 24.41 C ATOM 313 CD ARG A 20 -11.117 -2.397 6.172 1.00 24.43 C ATOM 314 NE ARG A 20 -10.777 -1.101 6.798 1.00 74.43 N ATOM 315 CZ ARG A 20 -9.970 -0.957 7.884 1.00 13.13 C ATOM 316 NH1 ARG A 20 -9.520 -2.020 8.535 1.00 3.41 N ATOM 317 NH2 ARG A 20 -9.628 0.247 8.317 1.00 14.22 N ATOM 0 H ARG A 20 -15.050 -1.146 3.584 1.00 73.31 H new ATOM 0 HA ARG A 20 -12.369 -1.778 3.309 1.00 72.42 H new ATOM 0 HB2 ARG A 20 -13.168 -0.803 5.353 1.00 24.31 H new ATOM 0 HB3 ARG A 20 -14.484 -1.952 5.495 1.00 24.31 H new ATOM 0 HG2 ARG A 20 -12.962 -2.487 7.236 1.00 24.41 H new ATOM 0 HG3 ARG A 20 -12.765 -3.741 6.028 1.00 24.41 H new ATOM 0 HD2 ARG A 20 -10.576 -3.197 6.678 1.00 24.43 H new ATOM 0 HD3 ARG A 20 -10.786 -2.396 5.133 1.00 24.43 H new ATOM 0 HE ARG A 20 -11.175 -0.257 6.387 1.00 74.43 H new ATOM 0 HH11 ARG A 20 -9.778 -2.956 8.223 1.00 3.41 H new ATOM 0 HH12 ARG A 20 -8.915 -1.902 9.348 1.00 3.41 H new ATOM 0 HH21 ARG A 20 -9.970 1.078 7.835 1.00 14.22 H new ATOM 0 HH22 ARG A 20 -9.022 0.343 9.132 1.00 14.22 H new ATOM 331 N ALA A 21 -14.177 -4.450 3.786 1.00 1.32 N ATOM 332 CA ALA A 21 -14.172 -5.895 3.772 1.00 12.31 C ATOM 333 C ALA A 21 -14.209 -6.462 2.364 1.00 0.32 C ATOM 334 O ALA A 21 -14.083 -7.672 2.173 1.00 61.50 O ATOM 335 CB ALA A 21 -15.312 -6.444 4.613 1.00 33.53 C ATOM 0 H ALA A 21 -15.097 -4.039 3.946 1.00 1.32 H new ATOM 0 HA ALA A 21 -13.229 -6.216 4.213 1.00 12.31 H new ATOM 0 HB1 ALA A 21 -15.290 -7.534 4.589 1.00 33.53 H new ATOM 0 HB2 ALA A 21 -15.203 -6.102 5.642 1.00 33.53 H new ATOM 0 HB3 ALA A 21 -16.262 -6.091 4.212 1.00 33.53 H new ATOM 341 N ASN A 22 -14.425 -5.612 1.376 1.00 15.24 N ATOM 342 CA ASN A 22 -14.578 -6.111 0.030 1.00 72.42 C ATOM 343 C ASN A 22 -13.299 -5.961 -0.812 1.00 30.13 C ATOM 344 O ASN A 22 -13.231 -6.443 -1.947 1.00 62.42 O ATOM 345 CB ASN A 22 -15.842 -5.529 -0.641 1.00 72.33 C ATOM 346 CG ASN A 22 -16.161 -6.125 -2.014 1.00 73.01 C ATOM 347 OD1 ASN A 22 -15.810 -5.429 -3.057 1.00 13.24 O flip ATOM 348 ND2 ASN A 22 -16.793 -7.182 -2.117 1.00 42.23 N flip ATOM 0 H ASN A 22 -14.496 -4.600 1.479 1.00 15.24 H new ATOM 0 HA ASN A 22 -14.734 -7.188 0.095 1.00 72.42 H new ATOM 0 HB2 ASN A 22 -16.695 -5.690 0.018 1.00 72.33 H new ATOM 0 HB3 ASN A 22 -15.719 -4.451 -0.746 1.00 72.33 H new ATOM 0 HD21 ASN A 22 -17.053 -7.704 -1.280 1.00 42.23 H new ATOM 0 HD22 ASN A 22 -17.054 -7.532 -3.039 1.00 42.23 H new ATOM 355 N VAL A 23 -12.277 -5.331 -0.261 1.00 33.34 N ATOM 356 CA VAL A 23 -11.013 -5.236 -0.981 1.00 51.24 C ATOM 357 C VAL A 23 -10.066 -6.328 -0.500 1.00 33.15 C ATOM 358 O VAL A 23 -10.139 -6.743 0.643 1.00 75.20 O ATOM 359 CB VAL A 23 -10.327 -3.848 -0.836 1.00 64.22 C ATOM 360 CG1 VAL A 23 -11.223 -2.752 -1.370 1.00 65.22 C ATOM 361 CG2 VAL A 23 -9.924 -3.565 0.609 1.00 72.01 C ATOM 0 H VAL A 23 -12.290 -4.887 0.657 1.00 33.34 H new ATOM 0 HA VAL A 23 -11.242 -5.366 -2.039 1.00 51.24 H new ATOM 0 HB VAL A 23 -9.413 -3.868 -1.430 1.00 64.22 H new ATOM 0 HG11 VAL A 23 -10.725 -1.789 -1.259 1.00 65.22 H new ATOM 0 HG12 VAL A 23 -11.431 -2.934 -2.424 1.00 65.22 H new ATOM 0 HG13 VAL A 23 -12.159 -2.743 -0.811 1.00 65.22 H new ATOM 0 HG21 VAL A 23 -9.448 -2.586 0.669 1.00 72.01 H new ATOM 0 HG22 VAL A 23 -10.811 -3.577 1.243 1.00 72.01 H new ATOM 0 HG23 VAL A 23 -9.225 -4.330 0.948 1.00 72.01 H new ATOM 371 N LYS A 24 -9.208 -6.810 -1.380 1.00 61.11 N ATOM 372 CA LYS A 24 -8.247 -7.848 -1.008 1.00 31.21 C ATOM 373 C LYS A 24 -7.021 -7.255 -0.357 1.00 12.13 C ATOM 374 O LYS A 24 -6.393 -7.878 0.511 1.00 42.32 O ATOM 375 CB LYS A 24 -7.843 -8.688 -2.219 1.00 30.32 C ATOM 376 CG LYS A 24 -8.996 -9.434 -2.816 1.00 45.04 C ATOM 377 CD LYS A 24 -8.594 -10.379 -3.960 1.00 55.41 C ATOM 378 CE LYS A 24 -8.066 -9.643 -5.183 1.00 45.35 C ATOM 379 NZ LYS A 24 -7.731 -10.585 -6.283 1.00 51.40 N ATOM 0 H LYS A 24 -9.152 -6.506 -2.352 1.00 61.11 H new ATOM 0 HA LYS A 24 -8.740 -8.498 -0.285 1.00 31.21 H new ATOM 0 HB2 LYS A 24 -7.405 -8.038 -2.977 1.00 30.32 H new ATOM 0 HB3 LYS A 24 -7.071 -9.398 -1.922 1.00 30.32 H new ATOM 0 HG2 LYS A 24 -9.487 -10.013 -2.034 1.00 45.04 H new ATOM 0 HG3 LYS A 24 -9.728 -8.717 -3.189 1.00 45.04 H new ATOM 0 HD2 LYS A 24 -7.831 -11.070 -3.602 1.00 55.41 H new ATOM 0 HD3 LYS A 24 -9.457 -10.979 -4.249 1.00 55.41 H new ATOM 0 HE2 LYS A 24 -8.813 -8.928 -5.529 1.00 45.35 H new ATOM 0 HE3 LYS A 24 -7.179 -9.071 -4.910 1.00 45.35 H new ATOM 0 HZ1 LYS A 24 -7.374 -10.051 -7.101 1.00 51.40 H new ATOM 0 HZ2 LYS A 24 -7.001 -11.251 -5.959 1.00 51.40 H new ATOM 0 HZ3 LYS A 24 -8.583 -11.113 -6.559 1.00 51.40 H new ATOM 393 N HIS A 25 -6.684 -6.058 -0.774 1.00 73.11 N ATOM 394 CA HIS A 25 -5.505 -5.363 -0.270 1.00 2.10 C ATOM 395 C HIS A 25 -5.492 -3.949 -0.801 1.00 11.41 C ATOM 396 O HIS A 25 -6.338 -3.588 -1.617 1.00 40.40 O ATOM 397 CB HIS A 25 -4.197 -6.071 -0.742 1.00 44.31 C ATOM 398 CG HIS A 25 -3.918 -5.995 -2.241 1.00 15.40 C ATOM 399 ND1 HIS A 25 -3.587 -4.932 -3.030 1.00 4.01 N flip ATOM 400 CD2 HIS A 25 -3.929 -7.079 -3.080 1.00 20.03 C flip ATOM 401 CE1 HIS A 25 -3.412 -5.392 -4.294 1.00 72.54 C flip ATOM 402 NE2 HIS A 25 -3.616 -6.680 -4.300 1.00 0.41 N flip ATOM 0 H HIS A 25 -7.212 -5.532 -1.470 1.00 73.11 H new ATOM 0 HA HIS A 25 -5.547 -5.369 0.819 1.00 2.10 H new ATOM 0 HB2 HIS A 25 -3.353 -5.632 -0.210 1.00 44.31 H new ATOM 0 HB3 HIS A 25 -4.246 -7.120 -0.451 1.00 44.31 H new ATOM 0 HD2 HIS A 25 -4.157 -8.094 -2.791 1.00 20.03 H new ATOM 0 HE1 HIS A 25 -3.148 -4.792 -5.152 1.00 72.54 H new ATOM 0 HE2 HIS A 25 -3.545 -7.285 -5.118 1.00 0.41 H new ATOM 411 N LEU A 26 -4.492 -3.195 -0.403 1.00 73.15 N ATOM 412 CA LEU A 26 -4.265 -1.864 -0.925 1.00 21.30 C ATOM 413 C LEU A 26 -2.928 -1.847 -1.623 1.00 23.51 C ATOM 414 O LEU A 26 -2.074 -2.649 -1.320 1.00 51.41 O ATOM 415 CB LEU A 26 -4.261 -0.827 0.195 1.00 64.43 C ATOM 416 CG LEU A 26 -5.550 -0.691 0.991 1.00 31.22 C ATOM 417 CD1 LEU A 26 -5.428 0.430 1.995 1.00 3.01 C ATOM 418 CD2 LEU A 26 -6.716 -0.454 0.061 1.00 13.23 C ATOM 0 H LEU A 26 -3.809 -3.488 0.296 1.00 73.15 H new ATOM 0 HA LEU A 26 -5.068 -1.613 -1.618 1.00 21.30 H new ATOM 0 HB2 LEU A 26 -3.456 -1.074 0.887 1.00 64.43 H new ATOM 0 HB3 LEU A 26 -4.022 0.144 -0.239 1.00 64.43 H new ATOM 0 HG LEU A 26 -5.729 -1.619 1.534 1.00 31.22 H new ATOM 0 HD11 LEU A 26 -6.357 0.517 2.558 1.00 3.01 H new ATOM 0 HD12 LEU A 26 -4.607 0.217 2.680 1.00 3.01 H new ATOM 0 HD13 LEU A 26 -5.231 1.366 1.473 1.00 3.01 H new ATOM 0 HD21 LEU A 26 -7.632 -0.358 0.643 1.00 13.23 H new ATOM 0 HD22 LEU A 26 -6.549 0.462 -0.506 1.00 13.23 H new ATOM 0 HD23 LEU A 26 -6.809 -1.294 -0.627 1.00 13.23 H new ATOM 430 N LYS A 27 -2.765 -1.009 -2.582 1.00 70.22 N ATOM 431 CA LYS A 27 -1.493 -0.860 -3.238 1.00 61.31 C ATOM 432 C LYS A 27 -1.245 0.598 -3.521 1.00 11.04 C ATOM 433 O LYS A 27 -2.012 1.223 -4.210 1.00 24.14 O ATOM 434 CB LYS A 27 -1.437 -1.719 -4.514 1.00 51.31 C ATOM 435 CG LYS A 27 -0.152 -1.577 -5.315 1.00 21.44 C ATOM 436 CD LYS A 27 -0.091 -2.544 -6.492 1.00 34.00 C ATOM 437 CE LYS A 27 -1.318 -2.455 -7.373 1.00 74.23 C ATOM 438 NZ LYS A 27 -1.211 -3.306 -8.563 1.00 41.33 N ATOM 0 H LYS A 27 -3.501 -0.402 -2.943 1.00 70.22 H new ATOM 0 HA LYS A 27 -0.697 -1.217 -2.584 1.00 61.31 H new ATOM 0 HB2 LYS A 27 -1.564 -2.766 -4.238 1.00 51.31 H new ATOM 0 HB3 LYS A 27 -2.279 -1.453 -5.153 1.00 51.31 H new ATOM 0 HG2 LYS A 27 -0.068 -0.555 -5.684 1.00 21.44 H new ATOM 0 HG3 LYS A 27 0.702 -1.751 -4.661 1.00 21.44 H new ATOM 0 HD2 LYS A 27 0.797 -2.332 -7.087 1.00 34.00 H new ATOM 0 HD3 LYS A 27 0.012 -3.563 -6.118 1.00 34.00 H new ATOM 0 HE2 LYS A 27 -2.197 -2.746 -6.798 1.00 74.23 H new ATOM 0 HE3 LYS A 27 -1.467 -1.420 -7.681 1.00 74.23 H new ATOM 0 HZ1 LYS A 27 -2.074 -3.212 -9.136 1.00 41.33 H new ATOM 0 HZ2 LYS A 27 -0.388 -3.013 -9.127 1.00 41.33 H new ATOM 0 HZ3 LYS A 27 -1.095 -4.298 -8.271 1.00 41.33 H new ATOM 452 N ILE A 28 -0.172 1.119 -3.002 1.00 61.42 N ATOM 453 CA ILE A 28 0.107 2.518 -3.108 1.00 42.21 C ATOM 454 C ILE A 28 1.169 2.751 -4.169 1.00 33.52 C ATOM 455 O ILE A 28 2.231 2.095 -4.166 1.00 22.11 O ATOM 456 CB ILE A 28 0.633 3.100 -1.767 1.00 60.32 C ATOM 457 CG1 ILE A 28 -0.282 2.713 -0.594 1.00 24.21 C ATOM 458 CG2 ILE A 28 0.730 4.616 -1.872 1.00 65.11 C ATOM 459 CD1 ILE A 28 0.157 3.281 0.746 1.00 54.12 C ATOM 0 H ILE A 28 0.533 0.585 -2.494 1.00 61.42 H new ATOM 0 HA ILE A 28 -0.826 3.016 -3.372 1.00 42.21 H new ATOM 0 HB ILE A 28 1.621 2.681 -1.575 1.00 60.32 H new ATOM 0 HG12 ILE A 28 -1.294 3.055 -0.808 1.00 24.21 H new ATOM 0 HG13 ILE A 28 -0.322 1.626 -0.521 1.00 24.21 H new ATOM 0 HG21 ILE A 28 1.099 5.023 -0.931 1.00 65.11 H new ATOM 0 HG22 ILE A 28 1.416 4.882 -2.676 1.00 65.11 H new ATOM 0 HG23 ILE A 28 -0.256 5.030 -2.085 1.00 65.11 H new ATOM 0 HD11 ILE A 28 -0.539 2.963 1.522 1.00 54.12 H new ATOM 0 HD12 ILE A 28 1.157 2.918 0.985 1.00 54.12 H new ATOM 0 HD13 ILE A 28 0.169 4.370 0.693 1.00 54.12 H new ATOM 471 N LEU A 29 0.879 3.643 -5.075 1.00 0.11 N ATOM 472 CA LEU A 29 1.805 4.028 -6.102 1.00 23.41 C ATOM 473 C LEU A 29 2.026 5.527 -6.037 1.00 71.22 C ATOM 474 O LEU A 29 1.077 6.298 -5.818 1.00 24.43 O ATOM 475 CB LEU A 29 1.334 3.620 -7.524 1.00 72.13 C ATOM 476 CG LEU A 29 1.178 2.111 -7.831 1.00 53.14 C ATOM 477 CD1 LEU A 29 -0.054 1.498 -7.212 1.00 71.51 C ATOM 478 CD2 LEU A 29 1.209 1.856 -9.301 1.00 44.24 C ATOM 0 H LEU A 29 -0.017 4.128 -5.121 1.00 0.11 H new ATOM 0 HA LEU A 29 2.739 3.496 -5.919 1.00 23.41 H new ATOM 0 HB2 LEU A 29 0.373 4.100 -7.708 1.00 72.13 H new ATOM 0 HB3 LEU A 29 2.041 4.036 -8.242 1.00 72.13 H new ATOM 0 HG LEU A 29 2.034 1.621 -7.367 1.00 53.14 H new ATOM 0 HD11 LEU A 29 -0.101 0.439 -7.467 1.00 71.51 H new ATOM 0 HD12 LEU A 29 -0.010 1.609 -6.129 1.00 71.51 H new ATOM 0 HD13 LEU A 29 -0.942 2.003 -7.593 1.00 71.51 H new ATOM 0 HD21 LEU A 29 1.097 0.788 -9.487 1.00 44.24 H new ATOM 0 HD22 LEU A 29 0.393 2.395 -9.781 1.00 44.24 H new ATOM 0 HD23 LEU A 29 2.160 2.198 -9.710 1.00 44.24 H new ATOM 490 N ASN A 30 3.261 5.946 -6.202 1.00 1.15 N ATOM 491 CA ASN A 30 3.583 7.360 -6.149 1.00 71.32 C ATOM 492 C ASN A 30 3.451 7.934 -7.551 1.00 51.15 C ATOM 493 O ASN A 30 4.317 7.711 -8.419 1.00 62.13 O ATOM 494 CB ASN A 30 5.009 7.568 -5.609 1.00 41.50 C ATOM 495 CG ASN A 30 5.363 9.025 -5.333 1.00 53.44 C ATOM 496 OD1 ASN A 30 5.163 9.525 -4.225 1.00 11.12 O ATOM 497 ND2 ASN A 30 5.894 9.709 -6.311 1.00 0.13 N ATOM 0 H ASN A 30 4.058 5.333 -6.373 1.00 1.15 H new ATOM 0 HA ASN A 30 2.897 7.873 -5.475 1.00 71.32 H new ATOM 0 HB2 ASN A 30 5.124 6.996 -4.688 1.00 41.50 H new ATOM 0 HB3 ASN A 30 5.721 7.162 -6.327 1.00 41.50 H new ATOM 0 HD21 ASN A 30 6.155 10.685 -6.168 1.00 0.13 H new ATOM 0 HD22 ASN A 30 6.047 9.268 -7.218 1.00 0.13 H new ATOM 504 N THR A 31 2.371 8.645 -7.762 1.00 0.24 N ATOM 505 CA THR A 31 2.016 9.201 -9.051 1.00 1.23 C ATOM 506 C THR A 31 2.488 10.654 -9.206 1.00 32.04 C ATOM 507 O THR A 31 2.627 11.365 -8.220 1.00 22.12 O ATOM 508 CB THR A 31 0.496 9.134 -9.203 1.00 53.44 C ATOM 509 OG1 THR A 31 -0.112 9.670 -8.010 1.00 13.35 O ATOM 510 CG2 THR A 31 0.036 7.698 -9.421 1.00 30.41 C ATOM 0 H THR A 31 1.697 8.860 -7.027 1.00 0.24 H new ATOM 0 HA THR A 31 2.513 8.618 -9.827 1.00 1.23 H new ATOM 0 HB THR A 31 0.196 9.719 -10.072 1.00 53.44 H new ATOM 0 HG1 THR A 31 0.203 10.587 -7.866 1.00 13.35 H new ATOM 0 HG21 THR A 31 -1.049 7.675 -9.526 1.00 30.41 H new ATOM 0 HG22 THR A 31 0.497 7.302 -10.326 1.00 30.41 H new ATOM 0 HG23 THR A 31 0.330 7.088 -8.567 1.00 30.41 H new ATOM 518 N PRO A 32 2.716 11.115 -10.459 1.00 13.22 N ATOM 519 CA PRO A 32 3.213 12.470 -10.730 1.00 12.15 C ATOM 520 C PRO A 32 2.097 13.536 -10.830 1.00 71.31 C ATOM 521 O PRO A 32 2.379 14.738 -10.895 1.00 44.23 O ATOM 522 CB PRO A 32 3.884 12.301 -12.091 1.00 22.23 C ATOM 523 CG PRO A 32 3.057 11.271 -12.786 1.00 73.22 C ATOM 524 CD PRO A 32 2.548 10.336 -11.716 1.00 11.11 C ATOM 0 HA PRO A 32 3.858 12.828 -9.928 1.00 12.15 H new ATOM 0 HB2 PRO A 32 3.899 13.239 -12.646 1.00 22.23 H new ATOM 0 HB3 PRO A 32 4.919 11.975 -11.986 1.00 22.23 H new ATOM 0 HG2 PRO A 32 2.229 11.735 -13.321 1.00 73.22 H new ATOM 0 HG3 PRO A 32 3.650 10.730 -13.523 1.00 73.22 H new ATOM 0 HD2 PRO A 32 1.505 10.065 -11.883 1.00 11.11 H new ATOM 0 HD3 PRO A 32 3.118 9.407 -11.691 1.00 11.11 H new ATOM 532 N ASN A 33 0.856 13.104 -10.845 1.00 35.52 N ATOM 533 CA ASN A 33 -0.269 14.031 -11.015 1.00 13.15 C ATOM 534 C ASN A 33 -1.247 13.906 -9.840 1.00 42.21 C ATOM 535 O ASN A 33 -2.276 14.581 -9.785 1.00 72.44 O ATOM 536 CB ASN A 33 -0.987 13.721 -12.356 1.00 44.23 C ATOM 537 CG ASN A 33 -2.124 14.684 -12.730 1.00 35.42 C ATOM 538 OD1 ASN A 33 -3.116 14.275 -13.347 1.00 61.23 O ATOM 539 ND2 ASN A 33 -1.964 15.961 -12.444 1.00 13.53 N ATOM 0 H ASN A 33 0.589 12.125 -10.743 1.00 35.52 H new ATOM 0 HA ASN A 33 0.105 15.055 -11.035 1.00 13.15 H new ATOM 0 HB2 ASN A 33 -0.247 13.731 -13.156 1.00 44.23 H new ATOM 0 HB3 ASN A 33 -1.391 12.710 -12.308 1.00 44.23 H new ATOM 0 HD21 ASN A 33 -2.668 16.640 -12.733 1.00 13.53 H new ATOM 0 HD22 ASN A 33 -1.136 16.270 -11.934 1.00 13.53 H new ATOM 546 N CYS A 34 -0.913 13.070 -8.897 1.00 52.52 N ATOM 547 CA CYS A 34 -1.794 12.814 -7.782 1.00 14.15 C ATOM 548 C CYS A 34 -0.977 12.751 -6.509 1.00 43.54 C ATOM 549 O CYS A 34 0.167 12.277 -6.538 1.00 64.43 O ATOM 550 CB CYS A 34 -2.571 11.496 -8.005 1.00 55.21 C ATOM 551 SG CYS A 34 -3.547 11.458 -9.515 1.00 32.50 S ATOM 0 H CYS A 34 -0.035 12.551 -8.874 1.00 52.52 H new ATOM 0 HA CYS A 34 -2.522 13.621 -7.697 1.00 14.15 H new ATOM 0 HB2 CYS A 34 -1.862 10.669 -8.024 1.00 55.21 H new ATOM 0 HB3 CYS A 34 -3.232 11.330 -7.155 1.00 55.21 H new ATOM 556 N ALA A 35 -1.561 13.245 -5.414 1.00 62.03 N ATOM 557 CA ALA A 35 -0.910 13.311 -4.096 1.00 33.25 C ATOM 558 C ALA A 35 -0.323 11.960 -3.700 1.00 62.44 C ATOM 559 O ALA A 35 0.891 11.811 -3.534 1.00 70.21 O ATOM 560 CB ALA A 35 -1.934 13.754 -3.061 1.00 14.51 C ATOM 0 H ALA A 35 -2.511 13.616 -5.414 1.00 62.03 H new ATOM 0 HA ALA A 35 -0.091 14.028 -4.145 1.00 33.25 H new ATOM 0 HB1 ALA A 35 -1.461 13.806 -2.080 1.00 14.51 H new ATOM 0 HB2 ALA A 35 -2.321 14.737 -3.330 1.00 14.51 H new ATOM 0 HB3 ALA A 35 -2.754 13.037 -3.031 1.00 14.51 H new ATOM 566 N CYS A 36 -1.183 11.001 -3.566 1.00 52.13 N ATOM 567 CA CYS A 36 -0.813 9.652 -3.245 1.00 4.22 C ATOM 568 C CYS A 36 -1.898 8.793 -3.850 1.00 11.30 C ATOM 569 O CYS A 36 -3.071 9.178 -3.802 1.00 75.51 O ATOM 570 CB CYS A 36 -0.730 9.470 -1.710 1.00 24.41 C ATOM 571 SG CYS A 36 -0.104 7.843 -1.166 1.00 51.23 S ATOM 0 H CYS A 36 -2.188 11.134 -3.679 1.00 52.13 H new ATOM 0 HA CYS A 36 0.168 9.382 -3.636 1.00 4.22 H new ATOM 0 HB2 CYS A 36 -0.085 10.247 -1.300 1.00 24.41 H new ATOM 0 HB3 CYS A 36 -1.722 9.622 -1.286 1.00 24.41 H new ATOM 576 N GLN A 37 -1.556 7.691 -4.457 1.00 4.30 N ATOM 577 CA GLN A 37 -2.566 6.924 -5.130 1.00 62.01 C ATOM 578 C GLN A 37 -2.598 5.509 -4.618 1.00 2.55 C ATOM 579 O GLN A 37 -1.578 4.826 -4.607 1.00 52.14 O ATOM 580 CB GLN A 37 -2.319 6.933 -6.640 1.00 12.11 C ATOM 581 CG GLN A 37 -3.495 6.411 -7.452 1.00 72.35 C ATOM 582 CD GLN A 37 -4.743 7.260 -7.236 1.00 75.35 C ATOM 583 OE1 GLN A 37 -5.860 6.776 -7.314 1.00 74.41 O ATOM 584 NE2 GLN A 37 -4.545 8.538 -6.966 1.00 21.52 N ATOM 0 H GLN A 37 -0.610 7.311 -4.500 1.00 4.30 H new ATOM 0 HA GLN A 37 -3.533 7.383 -4.926 1.00 62.01 H new ATOM 0 HB2 GLN A 37 -2.093 7.951 -6.957 1.00 12.11 H new ATOM 0 HB3 GLN A 37 -1.439 6.328 -6.860 1.00 12.11 H new ATOM 0 HG2 GLN A 37 -3.235 6.407 -8.510 1.00 72.35 H new ATOM 0 HG3 GLN A 37 -3.703 5.378 -7.171 1.00 72.35 H new ATOM 0 HE21 GLN A 37 -3.595 8.906 -6.909 1.00 21.52 H new ATOM 0 HE22 GLN A 37 -5.342 9.157 -6.815 1.00 21.52 H new ATOM 593 N ILE A 38 -3.756 5.073 -4.191 1.00 12.34 N ATOM 594 CA ILE A 38 -3.915 3.730 -3.729 1.00 24.13 C ATOM 595 C ILE A 38 -4.816 2.993 -4.690 1.00 63.21 C ATOM 596 O ILE A 38 -5.822 3.511 -5.101 1.00 14.45 O ATOM 597 CB ILE A 38 -4.516 3.663 -2.295 1.00 31.53 C ATOM 598 CG1 ILE A 38 -3.647 4.463 -1.316 1.00 31.23 C ATOM 599 CG2 ILE A 38 -4.661 2.212 -1.836 1.00 24.42 C ATOM 600 CD1 ILE A 38 -4.063 4.339 0.138 1.00 71.31 C ATOM 0 H ILE A 38 -4.604 5.638 -4.156 1.00 12.34 H new ATOM 0 HA ILE A 38 -2.929 3.268 -3.685 1.00 24.13 H new ATOM 0 HB ILE A 38 -5.510 4.109 -2.315 1.00 31.53 H new ATOM 0 HG12 ILE A 38 -2.613 4.133 -1.415 1.00 31.23 H new ATOM 0 HG13 ILE A 38 -3.675 5.515 -1.601 1.00 31.23 H new ATOM 0 HG21 ILE A 38 -5.083 2.189 -0.831 1.00 24.42 H new ATOM 0 HG22 ILE A 38 -5.322 1.678 -2.519 1.00 24.42 H new ATOM 0 HG23 ILE A 38 -3.682 1.733 -1.830 1.00 24.42 H new ATOM 0 HD11 ILE A 38 -3.396 4.936 0.760 1.00 71.31 H new ATOM 0 HD12 ILE A 38 -5.086 4.697 0.256 1.00 71.31 H new ATOM 0 HD13 ILE A 38 -4.007 3.295 0.445 1.00 71.31 H new ATOM 612 N VAL A 39 -4.426 1.828 -5.072 1.00 70.14 N ATOM 613 CA VAL A 39 -5.211 1.009 -5.950 1.00 1.45 C ATOM 614 C VAL A 39 -5.573 -0.275 -5.215 1.00 40.30 C ATOM 615 O VAL A 39 -4.724 -0.860 -4.523 1.00 50.30 O ATOM 616 CB VAL A 39 -4.430 0.668 -7.243 1.00 61.13 C ATOM 617 CG1 VAL A 39 -5.305 -0.106 -8.208 1.00 21.24 C ATOM 618 CG2 VAL A 39 -3.883 1.931 -7.902 1.00 2.44 C ATOM 0 H VAL A 39 -3.544 1.405 -4.785 1.00 70.14 H new ATOM 0 HA VAL A 39 -6.111 1.553 -6.237 1.00 1.45 H new ATOM 0 HB VAL A 39 -3.583 0.039 -6.969 1.00 61.13 H new ATOM 0 HG11 VAL A 39 -4.737 -0.336 -9.110 1.00 21.24 H new ATOM 0 HG12 VAL A 39 -5.632 -1.034 -7.739 1.00 21.24 H new ATOM 0 HG13 VAL A 39 -6.176 0.494 -8.471 1.00 21.24 H new ATOM 0 HG21 VAL A 39 -3.339 1.663 -8.808 1.00 2.44 H new ATOM 0 HG22 VAL A 39 -4.709 2.595 -8.158 1.00 2.44 H new ATOM 0 HG23 VAL A 39 -3.210 2.439 -7.212 1.00 2.44 H new ATOM 628 N ALA A 40 -6.803 -0.711 -5.338 1.00 32.22 N ATOM 629 CA ALA A 40 -7.242 -1.896 -4.655 1.00 12.14 C ATOM 630 C ALA A 40 -8.041 -2.793 -5.572 1.00 34.32 C ATOM 631 O ALA A 40 -8.795 -2.325 -6.426 1.00 5.05 O ATOM 632 CB ALA A 40 -8.067 -1.531 -3.437 1.00 62.53 C ATOM 0 H ALA A 40 -7.518 -0.259 -5.908 1.00 32.22 H new ATOM 0 HA ALA A 40 -6.355 -2.442 -4.333 1.00 12.14 H new ATOM 0 HB1 ALA A 40 -8.391 -2.441 -2.931 1.00 62.53 H new ATOM 0 HB2 ALA A 40 -7.463 -0.932 -2.755 1.00 62.53 H new ATOM 0 HB3 ALA A 40 -8.940 -0.957 -3.748 1.00 62.53 H new ATOM 638 N ARG A 41 -7.868 -4.077 -5.410 1.00 54.20 N ATOM 639 CA ARG A 41 -8.634 -5.014 -6.169 1.00 73.53 C ATOM 640 C ARG A 41 -9.598 -5.722 -5.273 1.00 52.23 C ATOM 641 O ARG A 41 -9.219 -6.192 -4.184 1.00 5.12 O ATOM 642 CB ARG A 41 -7.779 -6.004 -6.981 1.00 3.33 C ATOM 643 CG ARG A 41 -6.917 -5.338 -8.038 1.00 5.13 C ATOM 644 CD ARG A 41 -6.428 -6.337 -9.075 1.00 61.23 C ATOM 645 NE ARG A 41 -5.788 -5.676 -10.225 1.00 21.33 N ATOM 646 CZ ARG A 41 -5.624 -6.240 -11.440 1.00 51.22 C ATOM 647 NH1 ARG A 41 -5.994 -7.499 -11.646 1.00 44.43 N ATOM 648 NH2 ARG A 41 -5.089 -5.538 -12.436 1.00 42.32 N ATOM 0 H ARG A 41 -7.203 -4.493 -4.758 1.00 54.20 H new ATOM 0 HA ARG A 41 -9.186 -4.444 -6.916 1.00 73.53 H new ATOM 0 HB2 ARG A 41 -7.137 -6.561 -6.299 1.00 3.33 H new ATOM 0 HB3 ARG A 41 -8.436 -6.728 -7.463 1.00 3.33 H new ATOM 0 HG2 ARG A 41 -7.488 -4.552 -8.531 1.00 5.13 H new ATOM 0 HG3 ARG A 41 -6.061 -4.860 -7.562 1.00 5.13 H new ATOM 0 HD2 ARG A 41 -5.719 -7.022 -8.611 1.00 61.23 H new ATOM 0 HD3 ARG A 41 -7.269 -6.937 -9.424 1.00 61.23 H new ATOM 0 HE ARG A 41 -5.444 -4.725 -10.094 1.00 21.33 H new ATOM 0 HH11 ARG A 41 -6.403 -8.041 -10.885 1.00 44.43 H new ATOM 0 HH12 ARG A 41 -5.869 -7.923 -12.565 1.00 44.43 H new ATOM 0 HH21 ARG A 41 -4.802 -4.571 -12.282 1.00 42.32 H new ATOM 0 HH22 ARG A 41 -4.966 -5.967 -13.353 1.00 42.32 H new ATOM 662 N LEU A 42 -10.833 -5.755 -5.698 1.00 21.01 N ATOM 663 CA LEU A 42 -11.913 -6.374 -4.958 1.00 23.40 C ATOM 664 C LEU A 42 -11.716 -7.900 -4.910 1.00 35.21 C ATOM 665 O LEU A 42 -11.004 -8.463 -5.758 1.00 60.44 O ATOM 666 CB LEU A 42 -13.260 -5.997 -5.601 1.00 52.40 C ATOM 667 CG LEU A 42 -13.534 -4.483 -5.780 1.00 32.32 C ATOM 668 CD1 LEU A 42 -14.933 -4.240 -6.313 1.00 41.43 C ATOM 669 CD2 LEU A 42 -13.294 -3.700 -4.494 1.00 23.00 C ATOM 0 H LEU A 42 -11.128 -5.346 -6.585 1.00 21.01 H new ATOM 0 HA LEU A 42 -11.912 -6.009 -3.931 1.00 23.40 H new ATOM 0 HB2 LEU A 42 -13.317 -6.473 -6.580 1.00 52.40 H new ATOM 0 HB3 LEU A 42 -14.060 -6.420 -4.993 1.00 52.40 H new ATOM 0 HG LEU A 42 -12.821 -4.115 -6.517 1.00 32.32 H new ATOM 0 HD11 LEU A 42 -15.097 -3.169 -6.429 1.00 41.43 H new ATOM 0 HD12 LEU A 42 -15.044 -4.731 -7.280 1.00 41.43 H new ATOM 0 HD13 LEU A 42 -15.664 -4.646 -5.614 1.00 41.43 H new ATOM 0 HD21 LEU A 42 -13.499 -2.644 -4.668 1.00 23.00 H new ATOM 0 HD22 LEU A 42 -13.955 -4.074 -3.712 1.00 23.00 H new ATOM 0 HD23 LEU A 42 -12.257 -3.822 -4.182 1.00 23.00 H new ATOM 681 N LYS A 43 -12.322 -8.548 -3.909 1.00 20.41 N ATOM 682 CA LYS A 43 -12.165 -9.962 -3.643 1.00 23.25 C ATOM 683 C LYS A 43 -12.335 -10.917 -4.834 1.00 40.41 C ATOM 684 O LYS A 43 -12.987 -10.606 -5.839 1.00 51.53 O ATOM 685 CB LYS A 43 -13.030 -10.322 -2.493 1.00 14.23 C ATOM 686 CG LYS A 43 -12.717 -9.456 -1.309 1.00 22.44 C ATOM 687 CD LYS A 43 -13.478 -9.838 -0.111 1.00 4.13 C ATOM 688 CE LYS A 43 -14.988 -9.734 -0.286 1.00 55.21 C ATOM 689 NZ LYS A 43 -15.679 -9.998 0.990 1.00 64.45 N ATOM 0 H LYS A 43 -12.948 -8.083 -3.252 1.00 20.41 H new ATOM 0 HA LYS A 43 -11.112 -10.110 -3.402 1.00 23.25 H new ATOM 0 HB2 LYS A 43 -14.078 -10.206 -2.769 1.00 14.23 H new ATOM 0 HB3 LYS A 43 -12.882 -11.370 -2.233 1.00 14.23 H new ATOM 0 HG2 LYS A 43 -11.651 -9.516 -1.092 1.00 22.44 H new ATOM 0 HG3 LYS A 43 -12.934 -8.417 -1.556 1.00 22.44 H new ATOM 0 HD2 LYS A 43 -13.222 -10.862 0.160 1.00 4.13 H new ATOM 0 HD3 LYS A 43 -13.173 -9.203 0.720 1.00 4.13 H new ATOM 0 HE2 LYS A 43 -15.250 -8.740 -0.648 1.00 55.21 H new ATOM 0 HE3 LYS A 43 -15.322 -10.446 -1.040 1.00 55.21 H new ATOM 0 HZ1 LYS A 43 -16.705 -9.889 0.858 1.00 64.45 H new ATOM 0 HZ2 LYS A 43 -15.471 -10.968 1.303 1.00 64.45 H new ATOM 0 HZ3 LYS A 43 -15.349 -9.323 1.710 1.00 64.45 H new ATOM 745 N ARG A 47 -13.525 -6.578 -9.956 1.00 63.22 N ATOM 746 CA ARG A 47 -12.876 -5.451 -10.589 1.00 73.31 C ATOM 747 C ARG A 47 -11.941 -4.719 -9.647 1.00 3.00 C ATOM 748 O ARG A 47 -11.904 -4.976 -8.435 1.00 2.40 O ATOM 749 CB ARG A 47 -13.882 -4.448 -11.129 1.00 44.05 C ATOM 750 CG ARG A 47 -14.805 -3.894 -10.067 1.00 12.15 C ATOM 751 CD ARG A 47 -14.991 -2.412 -10.235 1.00 64.34 C ATOM 752 NE ARG A 47 -15.516 -2.037 -11.547 1.00 60.34 N ATOM 753 CZ ARG A 47 -14.976 -1.093 -12.350 1.00 41.22 C ATOM 754 NH1 ARG A 47 -13.792 -0.534 -12.047 1.00 22.31 N ATOM 755 NH2 ARG A 47 -15.597 -0.743 -13.465 1.00 43.52 N ATOM 0 HA ARG A 47 -12.299 -5.876 -11.411 1.00 73.31 H new ATOM 0 HB2 ARG A 47 -13.346 -3.624 -11.600 1.00 44.05 H new ATOM 0 HB3 ARG A 47 -14.479 -4.925 -11.906 1.00 44.05 H new ATOM 0 HG2 ARG A 47 -15.772 -4.394 -10.123 1.00 12.15 H new ATOM 0 HG3 ARG A 47 -14.395 -4.103 -9.079 1.00 12.15 H new ATOM 0 HD2 ARG A 47 -15.670 -2.049 -9.463 1.00 64.34 H new ATOM 0 HD3 ARG A 47 -14.034 -1.913 -10.079 1.00 64.34 H new ATOM 0 HE ARG A 47 -16.349 -2.522 -11.880 1.00 60.34 H new ATOM 0 HH11 ARG A 47 -13.293 -0.821 -11.205 1.00 22.31 H new ATOM 0 HH12 ARG A 47 -13.392 0.178 -12.659 1.00 22.31 H new ATOM 0 HH21 ARG A 47 -16.481 -1.185 -13.717 1.00 43.52 H new ATOM 0 HH22 ARG A 47 -15.192 -0.031 -14.073 1.00 43.52 H new ATOM 769 N GLN A 48 -11.217 -3.804 -10.206 1.00 34.23 N ATOM 770 CA GLN A 48 -10.345 -2.977 -9.458 1.00 52.33 C ATOM 771 C GLN A 48 -10.930 -1.588 -9.361 1.00 23.32 C ATOM 772 O GLN A 48 -11.718 -1.170 -10.240 1.00 41.54 O ATOM 773 CB GLN A 48 -8.917 -2.980 -10.080 1.00 14.40 C ATOM 774 CG GLN A 48 -8.798 -2.523 -11.557 1.00 50.21 C ATOM 775 CD GLN A 48 -9.024 -1.029 -11.796 1.00 61.24 C ATOM 776 OE1 GLN A 48 -8.732 -0.195 -10.951 1.00 23.34 O ATOM 777 NE2 GLN A 48 -9.559 -0.695 -12.943 1.00 3.22 N ATOM 0 H GLN A 48 -11.219 -3.613 -11.208 1.00 34.23 H new ATOM 0 HA GLN A 48 -10.244 -3.368 -8.446 1.00 52.33 H new ATOM 0 HB2 GLN A 48 -8.280 -2.337 -9.473 1.00 14.40 H new ATOM 0 HB3 GLN A 48 -8.515 -3.990 -10.003 1.00 14.40 H new ATOM 0 HG2 GLN A 48 -7.806 -2.787 -11.924 1.00 50.21 H new ATOM 0 HG3 GLN A 48 -9.518 -3.083 -12.153 1.00 50.21 H new ATOM 0 HE21 GLN A 48 -9.791 -1.416 -13.627 1.00 3.22 H new ATOM 0 HE22 GLN A 48 -9.744 0.286 -13.153 1.00 3.22 H new ATOM 786 N VAL A 49 -10.611 -0.914 -8.302 1.00 10.00 N ATOM 787 CA VAL A 49 -10.947 0.468 -8.115 1.00 23.01 C ATOM 788 C VAL A 49 -9.789 1.124 -7.399 1.00 52.34 C ATOM 789 O VAL A 49 -9.072 0.467 -6.639 1.00 35.34 O ATOM 790 CB VAL A 49 -12.325 0.744 -7.349 1.00 44.14 C ATOM 791 CG1 VAL A 49 -13.528 0.261 -8.141 1.00 61.51 C ATOM 792 CG2 VAL A 49 -12.360 0.142 -5.951 1.00 41.15 C ATOM 0 H VAL A 49 -10.095 -1.318 -7.520 1.00 10.00 H new ATOM 0 HA VAL A 49 -11.115 0.897 -9.103 1.00 23.01 H new ATOM 0 HB VAL A 49 -12.381 1.828 -7.249 1.00 44.14 H new ATOM 0 HG11 VAL A 49 -14.440 0.470 -7.581 1.00 61.51 H new ATOM 0 HG12 VAL A 49 -13.564 0.779 -9.100 1.00 61.51 H new ATOM 0 HG13 VAL A 49 -13.444 -0.812 -8.311 1.00 61.51 H new ATOM 0 HG21 VAL A 49 -13.319 0.363 -5.483 1.00 41.15 H new ATOM 0 HG22 VAL A 49 -12.229 -0.938 -6.017 1.00 41.15 H new ATOM 0 HG23 VAL A 49 -11.557 0.569 -5.351 1.00 41.15 H new ATOM 802 N CYS A 50 -9.588 2.367 -7.625 1.00 43.11 N ATOM 803 CA CYS A 50 -8.491 3.046 -7.006 1.00 64.23 C ATOM 804 C CYS A 50 -9.045 3.830 -5.895 1.00 32.54 C ATOM 805 O CYS A 50 -10.052 4.441 -6.051 1.00 23.51 O ATOM 806 CB CYS A 50 -7.781 3.926 -8.010 1.00 0.13 C ATOM 807 SG CYS A 50 -7.168 2.996 -9.446 1.00 53.53 S ATOM 0 H CYS A 50 -10.165 2.946 -8.235 1.00 43.11 H new ATOM 0 HA CYS A 50 -7.749 2.340 -6.632 1.00 64.23 H new ATOM 0 HB2 CYS A 50 -8.463 4.705 -8.351 1.00 0.13 H new ATOM 0 HB3 CYS A 50 -6.944 4.426 -7.522 1.00 0.13 H new ATOM 812 N ILE A 51 -8.394 3.804 -4.787 1.00 31.53 N ATOM 813 CA ILE A 51 -8.942 4.303 -3.563 1.00 35.45 C ATOM 814 C ILE A 51 -8.288 5.612 -3.191 1.00 41.13 C ATOM 815 O ILE A 51 -7.085 5.811 -3.437 1.00 71.21 O ATOM 816 CB ILE A 51 -8.662 3.289 -2.420 1.00 44.15 C ATOM 817 CG1 ILE A 51 -8.984 1.861 -2.850 1.00 32.35 C ATOM 818 CG2 ILE A 51 -9.461 3.626 -1.186 1.00 32.22 C ATOM 819 CD1 ILE A 51 -10.402 1.638 -3.320 1.00 52.54 C ATOM 0 H ILE A 51 -7.449 3.430 -4.697 1.00 31.53 H new ATOM 0 HA ILE A 51 -10.014 4.448 -3.699 1.00 35.45 H new ATOM 0 HB ILE A 51 -7.599 3.358 -2.190 1.00 44.15 H new ATOM 0 HG12 ILE A 51 -8.303 1.577 -3.652 1.00 32.35 H new ATOM 0 HG13 ILE A 51 -8.786 1.192 -2.012 1.00 32.35 H new ATOM 0 HG21 ILE A 51 -9.245 2.899 -0.403 1.00 32.22 H new ATOM 0 HG22 ILE A 51 -9.192 4.624 -0.840 1.00 32.22 H new ATOM 0 HG23 ILE A 51 -10.525 3.599 -1.423 1.00 32.22 H new ATOM 0 HD11 ILE A 51 -10.531 0.593 -3.603 1.00 52.54 H new ATOM 0 HD12 ILE A 51 -11.095 1.884 -2.515 1.00 52.54 H new ATOM 0 HD13 ILE A 51 -10.604 2.275 -4.181 1.00 52.54 H new ATOM 831 N ASP A 52 -9.067 6.505 -2.618 1.00 45.45 N ATOM 832 CA ASP A 52 -8.528 7.748 -2.120 1.00 65.43 C ATOM 833 C ASP A 52 -7.848 7.455 -0.779 1.00 52.34 C ATOM 834 O ASP A 52 -8.481 6.919 0.138 1.00 71.45 O ATOM 835 CB ASP A 52 -9.641 8.795 -1.923 1.00 41.31 C ATOM 836 CG ASP A 52 -9.093 10.180 -1.596 1.00 33.31 C ATOM 837 OD1 ASP A 52 -8.461 10.348 -0.560 1.00 42.33 O ATOM 838 OD2 ASP A 52 -9.265 11.110 -2.422 1.00 45.44 O ATOM 0 H ASP A 52 -10.072 6.392 -2.487 1.00 45.45 H new ATOM 0 HA ASP A 52 -7.816 8.155 -2.838 1.00 65.43 H new ATOM 0 HB2 ASP A 52 -10.245 8.852 -2.828 1.00 41.31 H new ATOM 0 HB3 ASP A 52 -10.301 8.471 -1.119 1.00 41.31 H new ATOM 843 N PRO A 53 -6.552 7.777 -0.650 1.00 22.15 N ATOM 844 CA PRO A 53 -5.770 7.512 0.578 1.00 1.43 C ATOM 845 C PRO A 53 -6.260 8.288 1.798 1.00 44.02 C ATOM 846 O PRO A 53 -5.832 8.040 2.928 1.00 45.32 O ATOM 847 CB PRO A 53 -4.362 7.980 0.206 1.00 71.31 C ATOM 848 CG PRO A 53 -4.566 8.935 -0.912 1.00 54.13 C ATOM 849 CD PRO A 53 -5.727 8.402 -1.686 1.00 52.41 C ATOM 0 HA PRO A 53 -5.845 6.464 0.867 1.00 1.43 H new ATOM 0 HB2 PRO A 53 -3.868 8.459 1.051 1.00 71.31 H new ATOM 0 HB3 PRO A 53 -3.734 7.143 -0.098 1.00 71.31 H new ATOM 0 HG2 PRO A 53 -4.771 9.938 -0.539 1.00 54.13 H new ATOM 0 HG3 PRO A 53 -3.676 9.003 -1.537 1.00 54.13 H new ATOM 0 HD2 PRO A 53 -6.264 9.195 -2.206 1.00 52.41 H new ATOM 0 HD3 PRO A 53 -5.413 7.682 -2.441 1.00 52.41 H new ATOM 857 N LYS A 54 -7.145 9.204 1.581 1.00 12.13 N ATOM 858 CA LYS A 54 -7.608 10.034 2.632 1.00 21.42 C ATOM 859 C LYS A 54 -8.947 9.547 3.187 1.00 51.12 C ATOM 860 O LYS A 54 -9.525 10.182 4.046 1.00 40.25 O ATOM 861 CB LYS A 54 -7.696 11.463 2.134 1.00 13.40 C ATOM 862 CG LYS A 54 -6.375 11.986 1.563 1.00 12.02 C ATOM 863 CD LYS A 54 -6.487 13.409 1.031 1.00 4.11 C ATOM 864 CE LYS A 54 -7.567 13.532 -0.038 1.00 43.14 C ATOM 865 NZ LYS A 54 -7.648 14.900 -0.581 1.00 3.51 N ATOM 0 H LYS A 54 -7.564 9.394 0.671 1.00 12.13 H new ATOM 0 HA LYS A 54 -6.899 9.989 3.458 1.00 21.42 H new ATOM 0 HB2 LYS A 54 -8.467 11.526 1.366 1.00 13.40 H new ATOM 0 HB3 LYS A 54 -8.010 12.108 2.955 1.00 13.40 H new ATOM 0 HG2 LYS A 54 -5.610 11.952 2.338 1.00 12.02 H new ATOM 0 HG3 LYS A 54 -6.045 11.327 0.760 1.00 12.02 H new ATOM 0 HD2 LYS A 54 -6.711 14.088 1.854 1.00 4.11 H new ATOM 0 HD3 LYS A 54 -5.528 13.718 0.616 1.00 4.11 H new ATOM 0 HE2 LYS A 54 -7.359 12.832 -0.847 1.00 43.14 H new ATOM 0 HE3 LYS A 54 -8.531 13.252 0.386 1.00 43.14 H new ATOM 0 HZ1 LYS A 54 -8.394 14.943 -1.305 1.00 3.51 H new ATOM 0 HZ2 LYS A 54 -7.872 15.565 0.186 1.00 3.51 H new ATOM 0 HZ3 LYS A 54 -6.736 15.158 -1.008 1.00 3.51 H new ATOM 879 N LEU A 55 -9.434 8.410 2.707 1.00 23.32 N ATOM 880 CA LEU A 55 -10.659 7.845 3.228 1.00 54.12 C ATOM 881 C LEU A 55 -10.529 7.534 4.692 1.00 70.44 C ATOM 882 O LEU A 55 -9.466 7.139 5.150 1.00 10.52 O ATOM 883 CB LEU A 55 -11.032 6.594 2.480 1.00 33.32 C ATOM 884 CG LEU A 55 -11.497 6.772 1.061 1.00 51.21 C ATOM 885 CD1 LEU A 55 -11.766 5.423 0.456 1.00 62.55 C ATOM 886 CD2 LEU A 55 -12.759 7.576 1.047 1.00 24.43 C ATOM 0 H LEU A 55 -8.998 7.868 1.961 1.00 23.32 H new ATOM 0 HA LEU A 55 -11.445 8.588 3.094 1.00 54.12 H new ATOM 0 HB2 LEU A 55 -10.168 5.930 2.475 1.00 33.32 H new ATOM 0 HB3 LEU A 55 -11.821 6.087 3.036 1.00 33.32 H new ATOM 0 HG LEU A 55 -10.728 7.289 0.487 1.00 51.21 H new ATOM 0 HD11 LEU A 55 -12.104 5.547 -0.573 1.00 62.55 H new ATOM 0 HD12 LEU A 55 -10.852 4.829 0.469 1.00 62.55 H new ATOM 0 HD13 LEU A 55 -12.538 4.913 1.032 1.00 62.55 H new ATOM 0 HD21 LEU A 55 -13.097 7.705 0.019 1.00 24.43 H new ATOM 0 HD22 LEU A 55 -13.528 7.056 1.619 1.00 24.43 H new ATOM 0 HD23 LEU A 55 -12.573 8.553 1.493 1.00 24.43 H new ATOM 898 N LYS A 56 -11.619 7.683 5.413 1.00 5.20 N ATOM 899 CA LYS A 56 -11.640 7.483 6.842 1.00 53.13 C ATOM 900 C LYS A 56 -11.222 6.075 7.218 1.00 24.20 C ATOM 901 O LYS A 56 -10.440 5.882 8.130 1.00 21.31 O ATOM 902 CB LYS A 56 -13.002 7.800 7.406 1.00 63.40 C ATOM 903 CG LYS A 56 -13.032 7.708 8.905 1.00 74.51 C ATOM 904 CD LYS A 56 -14.349 8.131 9.469 1.00 52.31 C ATOM 905 CE LYS A 56 -15.476 7.204 9.054 1.00 52.03 C ATOM 906 NZ LYS A 56 -16.755 7.590 9.682 1.00 61.43 N ATOM 0 H LYS A 56 -12.522 7.948 5.019 1.00 5.20 H new ATOM 0 HA LYS A 56 -10.914 8.170 7.278 1.00 53.13 H new ATOM 0 HB2 LYS A 56 -13.295 8.804 7.100 1.00 63.40 H new ATOM 0 HB3 LYS A 56 -13.736 7.112 6.987 1.00 63.40 H new ATOM 0 HG2 LYS A 56 -12.821 6.683 9.209 1.00 74.51 H new ATOM 0 HG3 LYS A 56 -12.242 8.333 9.322 1.00 74.51 H new ATOM 0 HD2 LYS A 56 -14.285 8.157 10.557 1.00 52.31 H new ATOM 0 HD3 LYS A 56 -14.575 9.145 9.139 1.00 52.31 H new ATOM 0 HE2 LYS A 56 -15.582 7.222 7.969 1.00 52.03 H new ATOM 0 HE3 LYS A 56 -15.227 6.180 9.333 1.00 52.03 H new ATOM 0 HZ1 LYS A 56 -17.503 6.935 9.377 1.00 61.43 H new ATOM 0 HZ2 LYS A 56 -16.660 7.549 10.717 1.00 61.43 H new ATOM 0 HZ3 LYS A 56 -17.004 8.558 9.396 1.00 61.43 H new ATOM 920 N TRP A 57 -11.707 5.089 6.490 1.00 24.34 N ATOM 921 CA TRP A 57 -11.320 3.733 6.789 1.00 51.32 C ATOM 922 C TRP A 57 -9.858 3.487 6.415 1.00 11.34 C ATOM 923 O TRP A 57 -9.209 2.617 6.978 1.00 35.24 O ATOM 924 CB TRP A 57 -12.266 2.679 6.198 1.00 31.33 C ATOM 925 CG TRP A 57 -12.324 2.615 4.708 1.00 22.41 C ATOM 926 CD1 TRP A 57 -13.062 3.397 3.871 1.00 70.55 C ATOM 927 CD2 TRP A 57 -11.636 1.681 3.879 1.00 64.10 C ATOM 928 NE1 TRP A 57 -12.865 3.002 2.581 1.00 53.35 N ATOM 929 CE2 TRP A 57 -11.994 1.952 2.562 1.00 21.20 C ATOM 930 CE3 TRP A 57 -10.745 0.640 4.130 1.00 35.22 C ATOM 931 CZ2 TRP A 57 -11.501 1.226 1.501 1.00 4.40 C ATOM 932 CZ3 TRP A 57 -10.257 -0.088 3.075 1.00 1.23 C ATOM 933 CH2 TRP A 57 -10.637 0.208 1.775 1.00 60.32 C ATOM 0 H TRP A 57 -12.353 5.199 5.708 1.00 24.34 H new ATOM 0 HA TRP A 57 -11.412 3.613 7.868 1.00 51.32 H new ATOM 0 HB2 TRP A 57 -11.967 1.700 6.573 1.00 31.33 H new ATOM 0 HB3 TRP A 57 -13.271 2.870 6.573 1.00 31.33 H new ATOM 0 HD1 TRP A 57 -13.705 4.207 4.182 1.00 70.55 H new ATOM 0 HE1 TRP A 57 -13.300 3.424 1.761 1.00 53.35 H new ATOM 0 HE3 TRP A 57 -10.443 0.409 5.141 1.00 35.22 H new ATOM 0 HZ2 TRP A 57 -11.789 1.455 0.486 1.00 4.40 H new ATOM 0 HZ3 TRP A 57 -9.569 -0.900 3.259 1.00 1.23 H new ATOM 0 HH2 TRP A 57 -10.240 -0.381 0.962 1.00 60.32 H new ATOM 944 N ILE A 58 -9.360 4.254 5.452 1.00 62.03 N ATOM 945 CA ILE A 58 -7.959 4.184 5.063 1.00 31.32 C ATOM 946 C ILE A 58 -7.100 4.849 6.146 1.00 44.43 C ATOM 947 O ILE A 58 -5.987 4.403 6.417 1.00 2.34 O ATOM 948 CB ILE A 58 -7.696 4.853 3.680 1.00 71.13 C ATOM 949 CG1 ILE A 58 -8.501 4.151 2.576 1.00 13.34 C ATOM 950 CG2 ILE A 58 -6.207 4.835 3.336 1.00 13.11 C ATOM 951 CD1 ILE A 58 -8.116 2.708 2.353 1.00 3.23 C ATOM 0 H ILE A 58 -9.909 4.933 4.925 1.00 62.03 H new ATOM 0 HA ILE A 58 -7.689 3.133 4.964 1.00 31.32 H new ATOM 0 HB ILE A 58 -8.021 5.891 3.745 1.00 71.13 H new ATOM 0 HG12 ILE A 58 -9.560 4.198 2.828 1.00 13.34 H new ATOM 0 HG13 ILE A 58 -8.371 4.699 1.643 1.00 13.34 H new ATOM 0 HG21 ILE A 58 -6.052 5.308 2.366 1.00 13.11 H new ATOM 0 HG22 ILE A 58 -5.651 5.380 4.099 1.00 13.11 H new ATOM 0 HG23 ILE A 58 -5.855 3.804 3.297 1.00 13.11 H new ATOM 0 HD11 ILE A 58 -8.731 2.286 1.558 1.00 3.23 H new ATOM 0 HD12 ILE A 58 -7.065 2.652 2.068 1.00 3.23 H new ATOM 0 HD13 ILE A 58 -8.273 2.143 3.272 1.00 3.23 H new ATOM 963 N GLN A 59 -7.645 5.908 6.773 1.00 1.42 N ATOM 964 CA GLN A 59 -6.992 6.591 7.901 1.00 15.12 C ATOM 965 C GLN A 59 -6.681 5.550 8.966 1.00 55.33 C ATOM 966 O GLN A 59 -5.547 5.408 9.412 1.00 35.41 O ATOM 967 CB GLN A 59 -7.940 7.644 8.522 1.00 55.42 C ATOM 968 CG GLN A 59 -8.444 8.734 7.576 1.00 61.51 C ATOM 969 CD GLN A 59 -7.383 9.702 7.134 1.00 21.34 C ATOM 970 OE1 GLN A 59 -7.176 10.732 7.780 1.00 74.23 O ATOM 971 NE2 GLN A 59 -6.722 9.412 6.040 1.00 44.15 N ATOM 0 H GLN A 59 -8.545 6.311 6.513 1.00 1.42 H new ATOM 0 HA GLN A 59 -6.089 7.087 7.546 1.00 15.12 H new ATOM 0 HB2 GLN A 59 -8.803 7.125 8.939 1.00 55.42 H new ATOM 0 HB3 GLN A 59 -7.423 8.123 9.354 1.00 55.42 H new ATOM 0 HG2 GLN A 59 -8.880 8.262 6.695 1.00 61.51 H new ATOM 0 HG3 GLN A 59 -9.243 9.288 8.070 1.00 61.51 H new ATOM 0 HE21 GLN A 59 -6.924 8.549 5.535 1.00 44.15 H new ATOM 0 HE22 GLN A 59 -6.005 10.049 5.693 1.00 44.15 H new ATOM 980 N GLU A 60 -7.715 4.789 9.301 1.00 12.44 N ATOM 981 CA GLU A 60 -7.649 3.718 10.276 1.00 55.31 C ATOM 982 C GLU A 60 -6.650 2.628 9.827 1.00 42.11 C ATOM 983 O GLU A 60 -5.957 2.011 10.648 1.00 44.00 O ATOM 984 CB GLU A 60 -9.038 3.084 10.390 1.00 43.21 C ATOM 985 CG GLU A 60 -10.163 4.049 10.753 1.00 44.20 C ATOM 986 CD GLU A 60 -9.990 4.679 12.101 1.00 53.23 C ATOM 987 OE1 GLU A 60 -10.146 3.962 13.121 1.00 13.14 O ATOM 988 OE2 GLU A 60 -9.737 5.872 12.171 1.00 41.11 O ATOM 0 H GLU A 60 -8.642 4.905 8.891 1.00 12.44 H new ATOM 0 HA GLU A 60 -7.320 4.127 11.231 1.00 55.31 H new ATOM 0 HB2 GLU A 60 -9.282 2.607 9.441 1.00 43.21 H new ATOM 0 HB3 GLU A 60 -9.000 2.296 11.142 1.00 43.21 H new ATOM 0 HG2 GLU A 60 -10.218 4.833 9.998 1.00 44.20 H new ATOM 0 HG3 GLU A 60 -11.113 3.515 10.728 1.00 44.20 H new ATOM 995 N TYR A 61 -6.589 2.404 8.522 1.00 50.23 N ATOM 996 CA TYR A 61 -5.769 1.345 7.948 1.00 52.34 C ATOM 997 C TYR A 61 -4.280 1.702 7.972 1.00 15.21 C ATOM 998 O TYR A 61 -3.461 0.921 8.460 1.00 5.41 O ATOM 999 CB TYR A 61 -6.214 1.040 6.511 1.00 52.22 C ATOM 1000 CG TYR A 61 -5.541 -0.173 5.900 1.00 71.20 C ATOM 1001 CD1 TYR A 61 -4.329 -0.074 5.223 1.00 13.03 C ATOM 1002 CD2 TYR A 61 -6.120 -1.418 6.008 1.00 30.31 C ATOM 1003 CE1 TYR A 61 -3.726 -1.192 4.674 1.00 54.04 C ATOM 1004 CE2 TYR A 61 -5.526 -2.531 5.465 1.00 30.23 C ATOM 1005 CZ TYR A 61 -4.336 -2.421 4.802 1.00 33.45 C ATOM 1006 OH TYR A 61 -3.756 -3.545 4.264 1.00 22.34 O ATOM 0 H TYR A 61 -7.105 2.950 7.832 1.00 50.23 H new ATOM 0 HA TYR A 61 -5.909 0.456 8.563 1.00 52.34 H new ATOM 0 HB2 TYR A 61 -7.293 0.887 6.501 1.00 52.22 H new ATOM 0 HB3 TYR A 61 -6.009 1.909 5.886 1.00 52.22 H new ATOM 0 HD1 TYR A 61 -3.852 0.890 5.125 1.00 13.03 H new ATOM 0 HD2 TYR A 61 -7.060 -1.521 6.530 1.00 30.31 H new ATOM 0 HE1 TYR A 61 -2.786 -1.102 4.150 1.00 54.04 H new ATOM 0 HE2 TYR A 61 -6.001 -3.496 5.562 1.00 30.23 H new ATOM 0 HH TYR A 61 -4.419 -4.032 3.731 1.00 22.34 H new ATOM 1016 N LEU A 62 -3.935 2.869 7.448 1.00 73.40 N ATOM 1017 CA LEU A 62 -2.537 3.287 7.385 1.00 21.53 C ATOM 1018 C LEU A 62 -1.983 3.404 8.770 1.00 33.21 C ATOM 1019 O LEU A 62 -0.901 2.897 9.054 1.00 33.30 O ATOM 1020 CB LEU A 62 -2.383 4.597 6.625 1.00 3.15 C ATOM 1021 CG LEU A 62 -2.864 4.580 5.175 1.00 25.41 C ATOM 1022 CD1 LEU A 62 -2.672 5.937 4.519 1.00 23.03 C ATOM 1023 CD2 LEU A 62 -2.160 3.496 4.369 1.00 64.02 C ATOM 0 H LEU A 62 -4.597 3.542 7.062 1.00 73.40 H new ATOM 0 HA LEU A 62 -1.973 2.530 6.840 1.00 21.53 H new ATOM 0 HB2 LEU A 62 -2.929 5.373 7.161 1.00 3.15 H new ATOM 0 HB3 LEU A 62 -1.331 4.881 6.637 1.00 3.15 H new ATOM 0 HG LEU A 62 -3.930 4.353 5.189 1.00 25.41 H new ATOM 0 HD11 LEU A 62 -3.023 5.896 3.488 1.00 23.03 H new ATOM 0 HD12 LEU A 62 -3.241 6.689 5.066 1.00 23.03 H new ATOM 0 HD13 LEU A 62 -1.615 6.201 4.532 1.00 23.03 H new ATOM 0 HD21 LEU A 62 -2.525 3.511 3.342 1.00 64.02 H new ATOM 0 HD22 LEU A 62 -1.085 3.678 4.375 1.00 64.02 H new ATOM 0 HD23 LEU A 62 -2.365 2.522 4.813 1.00 64.02 H new ATOM 1035 N GLU A 63 -2.746 4.040 9.639 1.00 50.40 N ATOM 1036 CA GLU A 63 -2.393 4.116 11.052 1.00 5.01 C ATOM 1037 C GLU A 63 -2.111 2.732 11.687 1.00 11.11 C ATOM 1038 O GLU A 63 -1.071 2.561 12.334 1.00 64.42 O ATOM 1039 CB GLU A 63 -3.459 4.880 11.833 1.00 11.23 C ATOM 1040 CG GLU A 63 -3.344 6.390 11.720 1.00 33.10 C ATOM 1041 CD GLU A 63 -2.152 6.909 12.499 1.00 5.11 C ATOM 1042 OE1 GLU A 63 -1.035 6.967 11.964 1.00 74.13 O ATOM 1043 OE2 GLU A 63 -2.326 7.245 13.695 1.00 54.13 O ATOM 0 H GLU A 63 -3.616 4.513 9.395 1.00 50.40 H new ATOM 0 HA GLU A 63 -1.454 4.667 11.110 1.00 5.01 H new ATOM 0 HB2 GLU A 63 -4.443 4.573 11.479 1.00 11.23 H new ATOM 0 HB3 GLU A 63 -3.396 4.599 12.884 1.00 11.23 H new ATOM 0 HG2 GLU A 63 -3.248 6.672 10.672 1.00 33.10 H new ATOM 0 HG3 GLU A 63 -4.256 6.856 12.093 1.00 33.10 H new ATOM 1050 N LYS A 64 -2.993 1.724 11.474 1.00 22.13 N ATOM 1051 CA LYS A 64 -2.781 0.400 12.101 1.00 22.32 C ATOM 1052 C LYS A 64 -1.523 -0.280 11.606 1.00 54.51 C ATOM 1053 O LYS A 64 -0.893 -1.052 12.321 1.00 60.31 O ATOM 1054 CB LYS A 64 -4.032 -0.549 12.001 1.00 11.20 C ATOM 1055 CG LYS A 64 -4.499 -1.046 10.600 1.00 34.25 C ATOM 1056 CD LYS A 64 -3.538 -2.038 9.911 1.00 43.43 C ATOM 1057 CE LYS A 64 -3.269 -3.298 10.737 1.00 45.41 C ATOM 1058 NZ LYS A 64 -4.462 -4.162 10.924 1.00 73.05 N ATOM 0 H LYS A 64 -3.829 1.798 10.894 1.00 22.13 H new ATOM 0 HA LYS A 64 -2.642 0.606 13.162 1.00 22.32 H new ATOM 0 HB2 LYS A 64 -3.825 -1.430 12.609 1.00 11.20 H new ATOM 0 HB3 LYS A 64 -4.873 -0.033 12.463 1.00 11.20 H new ATOM 0 HG2 LYS A 64 -5.475 -1.521 10.705 1.00 34.25 H new ATOM 0 HG3 LYS A 64 -4.634 -0.182 9.950 1.00 34.25 H new ATOM 0 HD2 LYS A 64 -3.956 -2.327 8.947 1.00 43.43 H new ATOM 0 HD3 LYS A 64 -2.592 -1.535 9.710 1.00 43.43 H new ATOM 0 HE2 LYS A 64 -2.485 -3.879 10.251 1.00 45.41 H new ATOM 0 HE3 LYS A 64 -2.888 -3.005 11.715 1.00 45.41 H new ATOM 0 HZ1 LYS A 64 -4.188 -5.026 11.433 1.00 73.05 H new ATOM 0 HZ2 LYS A 64 -5.180 -3.648 11.474 1.00 73.05 H new ATOM 0 HZ3 LYS A 64 -4.855 -4.417 9.995 1.00 73.05 H new ATOM 1072 N CYS A 65 -1.167 0.022 10.407 1.00 1.32 N ATOM 1073 CA CYS A 65 -0.016 -0.605 9.771 1.00 22.54 C ATOM 1074 C CYS A 65 1.276 0.146 10.113 1.00 74.42 C ATOM 1075 O CYS A 65 2.354 -0.446 10.140 1.00 50.15 O ATOM 1076 CB CYS A 65 -0.234 -0.713 8.238 1.00 43.02 C ATOM 1077 SG CYS A 65 1.089 -1.578 7.308 1.00 62.21 S ATOM 0 H CYS A 65 -1.650 0.706 9.824 1.00 1.32 H new ATOM 0 HA CYS A 65 0.088 -1.617 10.161 1.00 22.54 H new ATOM 0 HB2 CYS A 65 -1.177 -1.230 8.059 1.00 43.02 H new ATOM 0 HB3 CYS A 65 -0.340 0.293 7.832 1.00 43.02 H new ATOM 1082 N LEU A 66 1.134 1.444 10.418 1.00 32.45 N ATOM 1083 CA LEU A 66 2.243 2.319 10.745 1.00 0.42 C ATOM 1084 C LEU A 66 2.971 1.786 12.002 1.00 1.33 C ATOM 1085 O LEU A 66 4.206 1.766 12.046 1.00 42.40 O ATOM 1086 CB LEU A 66 1.675 3.754 10.975 1.00 44.45 C ATOM 1087 CG LEU A 66 2.638 4.969 10.919 1.00 11.04 C ATOM 1088 CD1 LEU A 66 3.713 4.925 11.966 1.00 73.40 C ATOM 1089 CD2 LEU A 66 3.251 5.102 9.547 1.00 32.50 C ATOM 0 H LEU A 66 0.228 1.912 10.442 1.00 32.45 H new ATOM 0 HA LEU A 66 2.970 2.350 9.934 1.00 0.42 H new ATOM 0 HB2 LEU A 66 0.894 3.920 10.233 1.00 44.45 H new ATOM 0 HB3 LEU A 66 1.193 3.763 11.952 1.00 44.45 H new ATOM 0 HG LEU A 66 2.029 5.848 11.132 1.00 11.04 H new ATOM 0 HD11 LEU A 66 4.351 5.804 11.870 1.00 73.40 H new ATOM 0 HD12 LEU A 66 3.257 4.914 12.956 1.00 73.40 H new ATOM 0 HD13 LEU A 66 4.313 4.025 11.833 1.00 73.40 H new ATOM 0 HD21 LEU A 66 3.923 5.960 9.530 1.00 32.50 H new ATOM 0 HD22 LEU A 66 3.812 4.198 9.310 1.00 32.50 H new ATOM 0 HD23 LEU A 66 2.462 5.244 8.808 1.00 32.50 H new ATOM 1101 N ASN A 67 2.188 1.338 13.014 1.00 70.21 N ATOM 1102 CA ASN A 67 2.765 0.774 14.269 1.00 43.23 C ATOM 1103 C ASN A 67 1.688 0.238 15.205 1.00 71.52 C ATOM 1104 O ASN A 67 1.856 -0.805 15.836 1.00 41.42 O ATOM 1105 CB ASN A 67 3.647 1.808 15.019 1.00 3.14 C ATOM 1106 CG ASN A 67 4.318 1.252 16.293 1.00 24.34 C ATOM 1107 OD1 ASN A 67 4.623 -0.028 16.308 1.00 64.05 O flip ATOM 1108 ND2 ASN A 67 4.565 1.986 17.248 1.00 11.51 N flip ATOM 0 H ASN A 67 1.168 1.354 12.992 1.00 70.21 H new ATOM 0 HA ASN A 67 3.397 -0.059 13.961 1.00 43.23 H new ATOM 0 HB2 ASN A 67 4.420 2.170 14.342 1.00 3.14 H new ATOM 0 HB3 ASN A 67 3.032 2.667 15.289 1.00 3.14 H new ATOM 0 HD21 ASN A 67 4.317 2.975 17.209 1.00 11.51 H new ATOM 0 HD22 ASN A 67 5.018 1.606 18.079 1.00 11.51 H new ATOM 1404 N GLY B 119 -14.146 7.026 -11.554 1.00 43.30 N ATOM 1405 CA GLY B 119 -14.654 6.661 -10.253 1.00 5.54 C ATOM 1406 C GLY B 119 -15.781 5.684 -10.415 1.00 72.15 C ATOM 1407 O GLY B 119 -16.243 5.462 -11.551 1.00 75.32 O ATOM 0 HA2 GLY B 119 -13.860 6.220 -9.651 1.00 5.54 H new ATOM 0 HA3 GLY B 119 -15.001 7.548 -9.723 1.00 5.54 H new ATOM 1411 N ASP B 120 -16.249 5.081 -9.351 1.00 61.34 N ATOM 1412 CA ASP B 120 -17.285 4.092 -9.526 1.00 25.14 C ATOM 1413 C ASP B 120 -18.419 4.256 -8.539 1.00 51.00 C ATOM 1414 O ASP B 120 -19.577 4.390 -8.934 1.00 75.00 O ATOM 1415 CB ASP B 120 -16.688 2.714 -9.413 1.00 54.13 C ATOM 1416 CG ASP B 120 -17.635 1.643 -9.915 1.00 61.34 C ATOM 1417 OD1 ASP B 120 -17.653 1.393 -11.142 1.00 43.42 O ATOM 1418 OD2 ASP B 120 -18.374 1.062 -9.124 1.00 33.42 O ATOM 0 H ASP B 120 -15.946 5.246 -8.391 1.00 61.34 H new ATOM 0 HA ASP B 120 -17.711 4.234 -10.519 1.00 25.14 H new ATOM 0 HB2 ASP B 120 -15.760 2.673 -9.983 1.00 54.13 H new ATOM 0 HB3 ASP B 120 -16.433 2.514 -8.372 1.00 54.13 H new ATOM 1447 N ASP B 122 -19.499 6.761 -6.473 1.00 34.34 N ATOM 1448 CA ASP B 122 -19.401 8.208 -6.158 1.00 54.14 C ATOM 1449 C ASP B 122 -17.974 8.676 -6.323 1.00 24.13 C ATOM 1450 O ASP B 122 -17.679 9.514 -7.184 1.00 73.42 O ATOM 1451 CB ASP B 122 -19.923 8.576 -4.770 1.00 74.20 C ATOM 1452 CG ASP B 122 -21.411 8.372 -4.599 1.00 44.14 C ATOM 1453 OD1 ASP B 122 -22.195 9.282 -4.959 1.00 5.33 O ATOM 1454 OD2 ASP B 122 -21.819 7.317 -4.093 1.00 23.12 O ATOM 0 HA ASP B 122 -20.050 8.721 -6.868 1.00 54.14 H new ATOM 0 HB2 ASP B 122 -19.397 7.979 -4.025 1.00 74.20 H new ATOM 0 HB3 ASP B 122 -19.684 9.620 -4.568 1.00 74.20 H new ATOM 1459 N SER B 123 -17.092 8.129 -5.501 1.00 2.11 N ATOM 1460 CA SER B 123 -15.674 8.325 -5.621 1.00 53.23 C ATOM 1461 C SER B 123 -15.201 9.803 -5.381 1.00 11.41 C ATOM 1462 O SER B 123 -14.576 10.412 -6.247 1.00 44.31 O ATOM 1463 CB SER B 123 -15.233 7.703 -6.983 1.00 13.21 C ATOM 1464 OG SER B 123 -13.870 7.866 -7.286 1.00 0.45 O ATOM 0 H SER B 123 -17.357 7.527 -4.721 1.00 2.11 H new ATOM 0 HA SER B 123 -15.160 7.808 -4.811 1.00 53.23 H new ATOM 0 HB2 SER B 123 -15.465 6.638 -6.973 1.00 13.21 H new ATOM 0 HB3 SER B 123 -15.825 8.151 -7.781 1.00 13.21 H new ATOM 0 HG SER B 123 -13.621 8.808 -7.177 1.00 0.45 H new ATOM 1470 N MET B 124 -15.507 10.347 -4.171 1.00 63.44 N ATOM 1471 CA MET B 124 -15.087 11.723 -3.732 1.00 61.43 C ATOM 1472 C MET B 124 -15.147 11.927 -2.195 1.00 31.14 C ATOM 1473 O MET B 124 -16.220 12.175 -1.650 1.00 4.23 O ATOM 1474 CB MET B 124 -15.909 12.869 -4.393 1.00 42.22 C ATOM 1475 CG MET B 124 -15.599 13.165 -5.844 1.00 71.34 C ATOM 1476 SD MET B 124 -16.553 14.558 -6.484 1.00 24.34 S ATOM 1477 CE MET B 124 -15.863 14.696 -8.128 1.00 12.41 C ATOM 0 H MET B 124 -16.052 9.850 -3.467 1.00 63.44 H new ATOM 0 HA MET B 124 -14.052 11.781 -4.068 1.00 61.43 H new ATOM 0 HB2 MET B 124 -16.967 12.621 -4.313 1.00 42.22 H new ATOM 0 HB3 MET B 124 -15.751 13.780 -3.816 1.00 42.22 H new ATOM 0 HG2 MET B 124 -14.535 13.378 -5.949 1.00 71.34 H new ATOM 0 HG3 MET B 124 -15.807 12.280 -6.445 1.00 71.34 H new ATOM 0 HE1 MET B 124 -16.348 15.516 -8.658 1.00 12.41 H new ATOM 0 HE2 MET B 124 -14.793 14.892 -8.058 1.00 12.41 H new ATOM 0 HE3 MET B 124 -16.027 13.765 -8.671 1.00 12.41 H new ATOM 1487 N LYS B 125 -14.007 11.777 -1.498 1.00 4.43 N ATOM 1488 CA LYS B 125 -13.896 12.128 -0.070 1.00 60.21 C ATOM 1489 C LYS B 125 -12.543 12.738 0.299 1.00 35.20 C ATOM 1490 O LYS B 125 -11.633 12.807 -0.525 1.00 44.41 O ATOM 1491 CB LYS B 125 -14.174 10.957 0.841 1.00 64.35 C ATOM 1492 CG LYS B 125 -15.627 10.579 0.975 1.00 33.21 C ATOM 1493 CD LYS B 125 -15.797 9.431 1.933 1.00 42.22 C ATOM 1494 CE LYS B 125 -15.250 9.760 3.336 1.00 61.23 C ATOM 1495 NZ LYS B 125 -15.879 10.959 3.938 1.00 61.24 N ATOM 0 H LYS B 125 -13.144 11.413 -1.903 1.00 4.43 H new ATOM 0 HA LYS B 125 -14.666 12.885 0.082 1.00 60.21 H new ATOM 0 HB2 LYS B 125 -13.623 10.092 0.473 1.00 64.35 H new ATOM 0 HB3 LYS B 125 -13.782 11.187 1.832 1.00 64.35 H new ATOM 0 HG2 LYS B 125 -16.200 11.438 1.325 1.00 33.21 H new ATOM 0 HG3 LYS B 125 -16.027 10.306 -0.001 1.00 33.21 H new ATOM 0 HD2 LYS B 125 -16.854 9.175 2.007 1.00 42.22 H new ATOM 0 HD3 LYS B 125 -15.283 8.553 1.541 1.00 42.22 H new ATOM 0 HE2 LYS B 125 -15.411 8.904 3.992 1.00 61.23 H new ATOM 0 HE3 LYS B 125 -14.173 9.915 3.272 1.00 61.23 H new ATOM 0 HZ1 LYS B 125 -15.533 11.081 4.911 1.00 61.24 H new ATOM 0 HZ2 LYS B 125 -15.634 11.799 3.376 1.00 61.24 H new ATOM 0 HZ3 LYS B 125 -16.912 10.840 3.950 1.00 61.24 H new ATOM 1509 N GLU B 126 -12.445 13.183 1.552 1.00 34.24 N ATOM 1510 CA GLU B 126 -11.240 13.761 2.133 1.00 32.32 C ATOM 1511 C GLU B 126 -10.988 13.126 3.534 1.00 14.03 C ATOM 1512 O GLU B 126 -11.880 12.432 4.049 1.00 60.23 O ATOM 1513 CB GLU B 126 -11.363 15.293 2.192 1.00 32.55 C ATOM 1514 CG GLU B 126 -11.364 15.950 0.826 1.00 60.53 C ATOM 1515 CD GLU B 126 -11.357 17.443 0.915 1.00 5.24 C ATOM 1516 OE1 GLU B 126 -10.277 18.026 1.135 1.00 73.22 O ATOM 1517 OE2 GLU B 126 -12.420 18.058 0.753 1.00 72.41 O ATOM 0 H GLU B 126 -13.226 13.149 2.207 1.00 34.24 H new ATOM 0 HA GLU B 126 -10.375 13.538 1.508 1.00 32.32 H new ATOM 0 HB2 GLU B 126 -12.283 15.556 2.714 1.00 32.55 H new ATOM 0 HB3 GLU B 126 -10.537 15.694 2.779 1.00 32.55 H new ATOM 0 HG2 GLU B 126 -10.491 15.617 0.265 1.00 60.53 H new ATOM 0 HG3 GLU B 126 -12.243 15.625 0.270 1.00 60.53 H new ATOM 1524 N PRO B 127 -9.789 13.352 4.183 1.00 11.31 N ATOM 1525 CA PRO B 127 -9.420 12.656 5.405 1.00 52.35 C ATOM 1526 C PRO B 127 -10.088 13.164 6.645 1.00 34.01 C ATOM 1527 O PRO B 127 -10.742 14.223 6.655 1.00 10.34 O ATOM 1528 CB PRO B 127 -7.913 12.861 5.495 1.00 51.41 C ATOM 1529 CG PRO B 127 -7.679 14.159 4.841 1.00 54.34 C ATOM 1530 CD PRO B 127 -8.730 14.297 3.785 1.00 2.43 C ATOM 0 HA PRO B 127 -9.736 11.614 5.354 1.00 52.35 H new ATOM 0 HB2 PRO B 127 -7.575 12.872 6.531 1.00 51.41 H new ATOM 0 HB3 PRO B 127 -7.372 12.059 4.992 1.00 51.41 H new ATOM 0 HG2 PRO B 127 -7.744 14.974 5.562 1.00 54.34 H new ATOM 0 HG3 PRO B 127 -6.681 14.199 4.403 1.00 54.34 H new ATOM 0 HD2 PRO B 127 -9.109 15.318 3.735 1.00 2.43 H new ATOM 0 HD3 PRO B 127 -8.334 14.055 2.799 1.00 2.43 H new ATOM 1855 N CYS C 209 1.275 -16.129 6.500 1.00 11.53 N ATOM 1856 CA CYS C 209 1.773 -14.882 6.012 1.00 43.30 C ATOM 1857 C CYS C 209 2.504 -15.185 4.709 1.00 52.42 C ATOM 1858 O CYS C 209 3.256 -16.163 4.648 1.00 22.31 O ATOM 1859 CB CYS C 209 2.746 -14.292 7.030 1.00 13.12 C ATOM 1860 SG CYS C 209 2.055 -14.179 8.714 1.00 74.15 S ATOM 0 HA CYS C 209 0.968 -14.164 5.851 1.00 43.30 H new ATOM 0 HB2 CYS C 209 3.648 -14.904 7.056 1.00 13.12 H new ATOM 0 HB3 CYS C 209 3.045 -13.297 6.701 1.00 13.12 H new ATOM 1865 N PRO C 210 2.259 -14.400 3.638 1.00 54.13 N ATOM 1866 CA PRO C 210 2.934 -14.591 2.344 1.00 43.34 C ATOM 1867 C PRO C 210 4.437 -14.484 2.514 1.00 10.04 C ATOM 1868 O PRO C 210 5.210 -15.342 2.066 1.00 42.25 O ATOM 1869 CB PRO C 210 2.425 -13.406 1.508 1.00 12.31 C ATOM 1870 CG PRO C 210 1.133 -13.034 2.131 1.00 45.51 C ATOM 1871 CD PRO C 210 1.301 -13.290 3.594 1.00 0.35 C ATOM 0 HA PRO C 210 2.732 -15.564 1.896 1.00 43.34 H new ATOM 0 HB2 PRO C 210 3.129 -12.574 1.530 1.00 12.31 H new ATOM 0 HB3 PRO C 210 2.295 -13.686 0.463 1.00 12.31 H new ATOM 0 HG2 PRO C 210 0.894 -11.988 1.942 1.00 45.51 H new ATOM 0 HG3 PRO C 210 0.315 -13.627 1.721 1.00 45.51 H new ATOM 0 HD2 PRO C 210 1.681 -12.411 4.115 1.00 0.35 H new ATOM 0 HD3 PRO C 210 0.355 -13.556 4.066 1.00 0.35 H new ATOM 1879 N CYS C 211 4.828 -13.422 3.144 1.00 64.03 N ATOM 1880 CA CYS C 211 6.185 -13.174 3.467 1.00 1.23 C ATOM 1881 C CYS C 211 6.371 -13.566 4.910 1.00 52.24 C ATOM 1882 O CYS C 211 5.615 -13.101 5.769 1.00 41.30 O ATOM 1883 CB CYS C 211 6.463 -11.688 3.304 1.00 41.54 C ATOM 1884 SG CYS C 211 5.879 -11.017 1.712 1.00 44.04 S ATOM 0 H CYS C 211 4.191 -12.688 3.453 1.00 64.03 H new ATOM 0 HA CYS C 211 6.860 -13.736 2.822 1.00 1.23 H new ATOM 0 HB2 CYS C 211 5.983 -11.144 4.118 1.00 41.54 H new ATOM 0 HB3 CYS C 211 7.535 -11.514 3.393 1.00 41.54 H new ATOM 1889 N ARG C 212 7.330 -14.415 5.200 1.00 64.22 N ATOM 1890 CA ARG C 212 7.553 -14.774 6.576 1.00 65.12 C ATOM 1891 C ARG C 212 8.303 -13.586 7.187 1.00 3.33 C ATOM 1892 O ARG C 212 7.865 -13.000 8.177 1.00 14.24 O ATOM 1893 CB ARG C 212 8.377 -16.084 6.658 1.00 32.33 C ATOM 1894 CG ARG C 212 8.185 -16.981 7.925 1.00 51.03 C ATOM 1895 CD ARG C 212 8.577 -16.347 9.273 1.00 61.35 C ATOM 1896 NE ARG C 212 7.681 -15.261 9.699 1.00 1.40 N ATOM 1897 CZ ARG C 212 7.616 -14.737 10.934 1.00 1.40 C ATOM 1898 NH1 ARG C 212 8.343 -15.239 11.923 1.00 1.44 N ATOM 1899 NH2 ARG C 212 6.808 -13.706 11.176 1.00 73.24 N ATOM 0 H ARG C 212 7.950 -14.857 4.522 1.00 64.22 H new ATOM 0 HA ARG C 212 6.626 -14.966 7.116 1.00 65.12 H new ATOM 0 HB2 ARG C 212 8.140 -16.686 5.781 1.00 32.33 H new ATOM 0 HB3 ARG C 212 9.433 -15.822 6.588 1.00 32.33 H new ATOM 0 HG2 ARG C 212 7.138 -17.279 7.978 1.00 51.03 H new ATOM 0 HG3 ARG C 212 8.769 -17.892 7.792 1.00 51.03 H new ATOM 0 HD2 ARG C 212 8.585 -17.121 10.040 1.00 61.35 H new ATOM 0 HD3 ARG C 212 9.593 -15.960 9.200 1.00 61.35 H new ATOM 0 HE ARG C 212 7.054 -14.872 8.995 1.00 1.40 H new ATOM 0 HH11 ARG C 212 8.961 -16.032 11.750 1.00 1.44 H new ATOM 0 HH12 ARG C 212 8.285 -14.832 12.856 1.00 1.44 H new ATOM 0 HH21 ARG C 212 6.240 -13.316 10.424 1.00 73.24 H new ATOM 0 HH22 ARG C 212 6.757 -13.307 12.113 1.00 73.24 H new ATOM 1913 N PHE C 213 9.391 -13.212 6.560 1.00 4.20 N ATOM 1914 CA PHE C 213 10.123 -12.037 6.960 1.00 32.33 C ATOM 1915 C PHE C 213 10.102 -10.984 5.872 1.00 25.43 C ATOM 1916 O PHE C 213 9.810 -11.279 4.716 1.00 51.24 O ATOM 1917 CB PHE C 213 11.544 -12.353 7.417 1.00 63.23 C ATOM 1918 CG PHE C 213 11.621 -13.023 8.766 1.00 21.22 C ATOM 1919 CD1 PHE C 213 11.714 -12.257 9.918 1.00 4.30 C ATOM 1920 CD2 PHE C 213 11.602 -14.397 8.886 1.00 42.21 C ATOM 1921 CE1 PHE C 213 11.790 -12.849 11.161 1.00 51.43 C ATOM 1922 CE2 PHE C 213 11.678 -14.996 10.128 1.00 3.32 C ATOM 1923 CZ PHE C 213 11.770 -14.221 11.267 1.00 4.30 C ATOM 0 H PHE C 213 9.791 -13.709 5.764 1.00 4.20 H new ATOM 0 HA PHE C 213 9.611 -11.628 7.831 1.00 32.33 H new ATOM 0 HB2 PHE C 213 12.018 -12.996 6.676 1.00 63.23 H new ATOM 0 HB3 PHE C 213 12.118 -11.427 7.450 1.00 63.23 H new ATOM 0 HD1 PHE C 213 11.727 -11.180 9.841 1.00 4.30 H new ATOM 0 HD2 PHE C 213 11.527 -15.010 8.000 1.00 42.21 H new ATOM 0 HE1 PHE C 213 11.865 -12.238 12.048 1.00 51.43 H new ATOM 0 HE2 PHE C 213 11.665 -16.073 10.209 1.00 3.32 H new ATOM 0 HZ PHE C 213 11.826 -14.690 12.238 1.00 4.30 H new ATOM 1933 N PHE C 214 10.367 -9.765 6.259 1.00 73.34 N ATOM 1934 CA PHE C 214 10.337 -8.631 5.363 1.00 43.10 C ATOM 1935 C PHE C 214 11.540 -7.691 5.526 1.00 12.34 C ATOM 1936 O PHE C 214 12.097 -7.566 6.621 1.00 21.53 O ATOM 1937 CB PHE C 214 8.979 -7.904 5.446 1.00 21.50 C ATOM 1938 CG PHE C 214 8.325 -7.944 6.806 1.00 51.23 C ATOM 1939 CD1 PHE C 214 8.843 -7.249 7.880 1.00 61.15 C ATOM 1940 CD2 PHE C 214 7.185 -8.710 7.000 1.00 11.42 C ATOM 1941 CE1 PHE C 214 8.235 -7.313 9.118 1.00 34.44 C ATOM 1942 CE2 PHE C 214 6.577 -8.777 8.231 1.00 11.14 C ATOM 1943 CZ PHE C 214 7.101 -8.079 9.291 1.00 45.34 C ATOM 0 H PHE C 214 10.614 -9.524 7.219 1.00 73.34 H new ATOM 0 HA PHE C 214 10.436 -9.020 4.349 1.00 43.10 H new ATOM 0 HB2 PHE C 214 9.121 -6.863 5.157 1.00 21.50 H new ATOM 0 HB3 PHE C 214 8.300 -8.347 4.718 1.00 21.50 H new ATOM 0 HD1 PHE C 214 9.732 -6.650 7.751 1.00 61.15 H new ATOM 0 HD2 PHE C 214 6.768 -9.263 6.171 1.00 11.42 H new ATOM 0 HE1 PHE C 214 8.647 -6.763 9.951 1.00 34.44 H new ATOM 0 HE2 PHE C 214 5.689 -9.377 8.364 1.00 11.14 H new ATOM 0 HZ PHE C 214 6.626 -8.130 10.259 1.00 45.34 H new ATOM 1953 N GLU C 215 11.901 -7.052 4.429 1.00 3.14 N ATOM 1954 CA GLU C 215 13.038 -6.158 4.269 1.00 41.41 C ATOM 1955 C GLU C 215 12.944 -4.947 5.144 1.00 14.51 C ATOM 1956 O GLU C 215 11.959 -4.217 5.127 1.00 45.03 O ATOM 1957 CB GLU C 215 13.103 -5.703 2.804 1.00 2.43 C ATOM 1958 CG GLU C 215 13.840 -6.626 1.846 1.00 64.44 C ATOM 1959 CD GLU C 215 13.596 -8.100 2.053 1.00 34.03 C ATOM 1960 OE1 GLU C 215 12.646 -8.644 1.463 1.00 25.23 O ATOM 1961 OE2 GLU C 215 14.394 -8.728 2.813 1.00 24.14 O ATOM 0 H GLU C 215 11.371 -7.150 3.563 1.00 3.14 H new ATOM 0 HA GLU C 215 13.934 -6.707 4.559 1.00 41.41 H new ATOM 0 HB2 GLU C 215 12.084 -5.574 2.440 1.00 2.43 H new ATOM 0 HB3 GLU C 215 13.580 -4.723 2.770 1.00 2.43 H new ATOM 0 HG2 GLU C 215 13.554 -6.367 0.826 1.00 64.44 H new ATOM 0 HG3 GLU C 215 14.910 -6.436 1.935 1.00 64.44 H new ATOM 1968 N SER C 216 13.981 -4.736 5.888 1.00 40.44 N ATOM 1969 CA SER C 216 14.065 -3.631 6.771 1.00 12.13 C ATOM 1970 C SER C 216 15.032 -2.596 6.212 1.00 4.33 C ATOM 1971 O SER C 216 15.220 -1.531 6.779 1.00 52.31 O ATOM 1972 CB SER C 216 14.535 -4.131 8.106 1.00 40.43 C ATOM 1973 OG SER C 216 15.808 -4.766 7.985 1.00 42.23 O ATOM 0 H SER C 216 14.803 -5.339 5.895 1.00 40.44 H new ATOM 0 HA SER C 216 13.090 -3.156 6.882 1.00 12.13 H new ATOM 0 HB2 SER C 216 14.602 -3.300 8.808 1.00 40.43 H new ATOM 0 HB3 SER C 216 13.809 -4.835 8.513 1.00 40.43 H new ATOM 0 HG SER C 216 16.415 -4.414 8.669 1.00 42.23 H new ATOM 1979 N HIS C 217 15.668 -2.943 5.117 1.00 72.22 N ATOM 1980 CA HIS C 217 16.574 -2.063 4.410 1.00 72.34 C ATOM 1981 C HIS C 217 16.342 -2.237 2.947 1.00 40.42 C ATOM 1982 O HIS C 217 16.582 -3.305 2.407 1.00 40.32 O ATOM 1983 CB HIS C 217 18.057 -2.348 4.720 1.00 43.04 C ATOM 1984 CG HIS C 217 18.539 -1.958 6.086 1.00 22.33 C ATOM 1985 ND1 HIS C 217 19.554 -1.057 6.286 1.00 25.12 N ATOM 1986 CD2 HIS C 217 18.189 -2.392 7.312 1.00 24.15 C ATOM 1987 CE1 HIS C 217 19.810 -0.961 7.567 1.00 35.55 C ATOM 1988 NE2 HIS C 217 18.998 -1.760 8.217 1.00 50.42 N ATOM 0 H HIS C 217 15.569 -3.861 4.684 1.00 72.22 H new ATOM 0 HA HIS C 217 16.372 -1.043 4.737 1.00 72.34 H new ATOM 0 HB2 HIS C 217 18.235 -3.415 4.586 1.00 43.04 H new ATOM 0 HB3 HIS C 217 18.667 -1.828 3.981 1.00 43.04 H new ATOM 0 HD2 HIS C 217 17.412 -3.107 7.539 1.00 24.15 H new ATOM 0 HE1 HIS C 217 20.564 -0.329 8.013 1.00 35.55 H new ATOM 0 HE2 HIS C 217 18.974 -1.889 9.229 1.00 50.42 H new ATOM 1997 N VAL C 218 15.875 -1.221 2.317 1.00 54.24 N ATOM 1998 CA VAL C 218 15.585 -1.263 0.912 1.00 61.54 C ATOM 1999 C VAL C 218 15.613 0.171 0.403 1.00 24.42 C ATOM 2000 O VAL C 218 15.508 1.109 1.207 1.00 50.50 O ATOM 2001 CB VAL C 218 14.200 -1.937 0.651 1.00 33.03 C ATOM 2002 CG1 VAL C 218 13.088 -1.163 1.291 1.00 73.12 C ATOM 2003 CG2 VAL C 218 13.938 -2.205 -0.832 1.00 62.44 C ATOM 0 H VAL C 218 15.678 -0.323 2.758 1.00 54.24 H new ATOM 0 HA VAL C 218 16.325 -1.863 0.382 1.00 61.54 H new ATOM 0 HB VAL C 218 14.234 -2.917 1.127 1.00 33.03 H new ATOM 0 HG11 VAL C 218 12.138 -1.658 1.091 1.00 73.12 H new ATOM 0 HG12 VAL C 218 13.252 -1.114 2.368 1.00 73.12 H new ATOM 0 HG13 VAL C 218 13.064 -0.153 0.881 1.00 73.12 H new ATOM 0 HG21 VAL C 218 12.961 -2.674 -0.950 1.00 62.44 H new ATOM 0 HG22 VAL C 218 13.957 -1.263 -1.381 1.00 62.44 H new ATOM 0 HG23 VAL C 218 14.709 -2.869 -1.223 1.00 62.44 H new ATOM 2013 N ALA C 219 15.750 0.361 -0.881 1.00 44.21 N ATOM 2014 CA ALA C 219 15.896 1.679 -1.409 1.00 34.54 C ATOM 2015 C ALA C 219 14.570 2.265 -1.866 1.00 32.13 C ATOM 2016 O ALA C 219 13.889 1.711 -2.740 1.00 1.31 O ATOM 2017 CB ALA C 219 16.920 1.691 -2.530 1.00 34.23 C ATOM 0 H ALA C 219 15.763 -0.384 -1.577 1.00 44.21 H new ATOM 0 HA ALA C 219 16.258 2.317 -0.603 1.00 34.54 H new ATOM 0 HB1 ALA C 219 17.019 2.703 -2.921 1.00 34.23 H new ATOM 0 HB2 ALA C 219 17.883 1.354 -2.147 1.00 34.23 H new ATOM 0 HB3 ALA C 219 16.594 1.024 -3.328 1.00 34.23 H new ATOM 2023 N ARG C 220 14.223 3.384 -1.259 1.00 34.22 N ATOM 2024 CA ARG C 220 13.050 4.198 -1.580 1.00 25.51 C ATOM 2025 C ARG C 220 12.966 4.491 -3.083 1.00 10.23 C ATOM 2026 O ARG C 220 11.892 4.464 -3.677 1.00 32.35 O ATOM 2027 CB ARG C 220 13.175 5.527 -0.802 1.00 43.34 C ATOM 2028 CG ARG C 220 12.292 6.660 -1.300 1.00 52.44 C ATOM 2029 CD ARG C 220 10.828 6.467 -1.001 1.00 0.04 C ATOM 2030 NE ARG C 220 10.517 6.689 0.416 1.00 32.41 N ATOM 2031 CZ ARG C 220 10.023 7.845 0.929 1.00 11.01 C ATOM 2032 NH1 ARG C 220 9.995 8.956 0.196 1.00 40.40 N ATOM 2033 NH2 ARG C 220 9.598 7.895 2.190 1.00 43.11 N ATOM 0 H ARG C 220 14.772 3.774 -0.493 1.00 34.22 H new ATOM 0 HA ARG C 220 12.146 3.657 -1.299 1.00 25.51 H new ATOM 0 HB2 ARG C 220 12.939 5.339 0.245 1.00 43.34 H new ATOM 0 HB3 ARG C 220 14.214 5.855 -0.841 1.00 43.34 H new ATOM 0 HG2 ARG C 220 12.626 7.594 -0.847 1.00 52.44 H new ATOM 0 HG3 ARG C 220 12.423 6.763 -2.377 1.00 52.44 H new ATOM 0 HD2 ARG C 220 10.241 7.153 -1.612 1.00 0.04 H new ATOM 0 HD3 ARG C 220 10.532 5.456 -1.282 1.00 0.04 H new ATOM 0 HE ARG C 220 10.684 5.918 1.063 1.00 32.41 H new ATOM 0 HH11 ARG C 220 10.347 8.944 -0.761 1.00 40.40 H new ATOM 0 HH12 ARG C 220 9.622 9.819 0.592 1.00 40.40 H new ATOM 0 HH21 ARG C 220 9.642 7.062 2.777 1.00 43.11 H new ATOM 0 HH22 ARG C 220 9.228 8.767 2.569 1.00 43.11 H new ATOM 2047 N ALA C 221 14.097 4.777 -3.662 1.00 34.40 N ATOM 2048 CA ALA C 221 14.203 5.118 -5.060 1.00 33.13 C ATOM 2049 C ALA C 221 14.235 3.891 -5.963 1.00 32.23 C ATOM 2050 O ALA C 221 14.177 4.016 -7.190 1.00 24.11 O ATOM 2051 CB ALA C 221 15.427 5.971 -5.290 1.00 42.13 C ATOM 0 H ALA C 221 14.991 4.781 -3.170 1.00 34.40 H new ATOM 0 HA ALA C 221 13.308 5.681 -5.324 1.00 33.13 H new ATOM 0 HB1 ALA C 221 15.500 6.224 -6.348 1.00 42.13 H new ATOM 0 HB2 ALA C 221 15.349 6.886 -4.702 1.00 42.13 H new ATOM 0 HB3 ALA C 221 16.317 5.420 -4.986 1.00 42.13 H new ATOM 2057 N ASN C 222 14.366 2.715 -5.383 1.00 14.03 N ATOM 2058 CA ASN C 222 14.514 1.525 -6.200 1.00 3.15 C ATOM 2059 C ASN C 222 13.200 0.745 -6.317 1.00 62.51 C ATOM 2060 O ASN C 222 13.082 -0.183 -7.129 1.00 71.01 O ATOM 2061 CB ASN C 222 15.640 0.634 -5.668 1.00 51.24 C ATOM 2062 CG ASN C 222 16.033 -0.479 -6.626 1.00 44.50 C ATOM 2063 OD1 ASN C 222 15.936 -0.335 -7.848 1.00 22.01 O ATOM 2064 ND2 ASN C 222 16.495 -1.578 -6.088 1.00 62.22 N ATOM 0 H ASN C 222 14.373 2.557 -4.375 1.00 14.03 H new ATOM 0 HA ASN C 222 14.784 1.851 -7.204 1.00 3.15 H new ATOM 0 HB2 ASN C 222 16.514 1.251 -5.461 1.00 51.24 H new ATOM 0 HB3 ASN C 222 15.329 0.195 -4.720 1.00 51.24 H new ATOM 0 HD21 ASN C 222 16.790 -2.352 -6.683 1.00 62.22 H new ATOM 0 HD22 ASN C 222 16.561 -1.661 -5.073 1.00 62.22 H new ATOM 2071 N VAL C 223 12.211 1.104 -5.533 1.00 10.41 N ATOM 2072 CA VAL C 223 10.927 0.437 -5.640 1.00 25.11 C ATOM 2073 C VAL C 223 9.999 1.231 -6.559 1.00 0.05 C ATOM 2074 O VAL C 223 10.124 2.444 -6.665 1.00 42.23 O ATOM 2075 CB VAL C 223 10.248 0.256 -4.264 1.00 34.25 C ATOM 2076 CG1 VAL C 223 11.137 -0.555 -3.329 1.00 3.41 C ATOM 2077 CG2 VAL C 223 9.901 1.607 -3.650 1.00 1.22 C ATOM 0 H VAL C 223 12.263 1.838 -4.827 1.00 10.41 H new ATOM 0 HA VAL C 223 11.113 -0.553 -6.057 1.00 25.11 H new ATOM 0 HB VAL C 223 9.319 -0.295 -4.411 1.00 34.25 H new ATOM 0 HG11 VAL C 223 10.641 -0.671 -2.365 1.00 3.41 H new ATOM 0 HG12 VAL C 223 11.321 -1.538 -3.763 1.00 3.41 H new ATOM 0 HG13 VAL C 223 12.086 -0.037 -3.189 1.00 3.41 H new ATOM 0 HG21 VAL C 223 9.424 1.455 -2.682 1.00 1.22 H new ATOM 0 HG22 VAL C 223 10.812 2.191 -3.518 1.00 1.22 H new ATOM 0 HG23 VAL C 223 9.219 2.142 -4.310 1.00 1.22 H new ATOM 2087 N LYS C 224 9.100 0.543 -7.240 1.00 62.51 N ATOM 2088 CA LYS C 224 8.132 1.216 -8.102 1.00 2.21 C ATOM 2089 C LYS C 224 6.875 1.569 -7.340 1.00 75.54 C ATOM 2090 O LYS C 224 6.275 2.625 -7.554 1.00 4.43 O ATOM 2091 CB LYS C 224 7.772 0.355 -9.308 1.00 14.31 C ATOM 2092 CG LYS C 224 8.939 0.099 -10.209 1.00 71.22 C ATOM 2093 CD LYS C 224 8.566 -0.723 -11.439 1.00 50.50 C ATOM 2094 CE LYS C 224 8.165 -2.145 -11.090 1.00 51.22 C ATOM 2095 NZ LYS C 224 7.852 -2.933 -12.303 1.00 54.12 N ATOM 0 H LYS C 224 9.016 -0.473 -7.217 1.00 62.51 H new ATOM 0 HA LYS C 224 8.602 2.135 -8.454 1.00 2.21 H new ATOM 0 HB2 LYS C 224 7.371 -0.597 -8.961 1.00 14.31 H new ATOM 0 HB3 LYS C 224 6.982 0.846 -9.876 1.00 14.31 H new ATOM 0 HG2 LYS C 224 9.362 1.052 -10.529 1.00 71.22 H new ATOM 0 HG3 LYS C 224 9.716 -0.423 -9.651 1.00 71.22 H new ATOM 0 HD2 LYS C 224 7.743 -0.235 -11.962 1.00 50.50 H new ATOM 0 HD3 LYS C 224 9.412 -0.746 -12.126 1.00 50.50 H new ATOM 0 HE2 LYS C 224 8.973 -2.627 -10.540 1.00 51.22 H new ATOM 0 HE3 LYS C 224 7.297 -2.128 -10.432 1.00 51.22 H new ATOM 0 HZ1 LYS C 224 7.582 -3.899 -12.029 1.00 54.12 H new ATOM 0 HZ2 LYS C 224 7.065 -2.485 -12.814 1.00 54.12 H new ATOM 0 HZ3 LYS C 224 8.689 -2.969 -12.919 1.00 54.12 H new ATOM 2109 N HIS C 225 6.474 0.683 -6.458 1.00 32.05 N ATOM 2110 CA HIS C 225 5.273 0.896 -5.662 1.00 24.33 C ATOM 2111 C HIS C 225 5.261 -0.020 -4.466 1.00 5.13 C ATOM 2112 O HIS C 225 6.085 -0.930 -4.372 1.00 52.53 O ATOM 2113 CB HIS C 225 3.975 0.678 -6.489 1.00 53.43 C ATOM 2114 CG HIS C 225 3.695 -0.745 -6.956 1.00 4.04 C ATOM 2115 ND1 HIS C 225 3.520 -1.088 -8.274 1.00 5.33 N ATOM 2116 CD2 HIS C 225 3.487 -1.894 -6.252 1.00 5.12 C ATOM 2117 CE1 HIS C 225 3.211 -2.369 -8.351 1.00 24.33 C ATOM 2118 NE2 HIS C 225 3.192 -2.873 -7.148 1.00 60.54 N ATOM 0 H HIS C 225 6.958 -0.195 -6.269 1.00 32.05 H new ATOM 0 HA HIS C 225 5.294 1.934 -5.332 1.00 24.33 H new ATOM 0 HB2 HIS C 225 3.129 1.013 -5.889 1.00 53.43 H new ATOM 0 HB3 HIS C 225 4.018 1.323 -7.367 1.00 53.43 H new ATOM 0 HD2 HIS C 225 3.546 -2.006 -5.179 1.00 5.12 H new ATOM 0 HE1 HIS C 225 3.007 -2.912 -9.262 1.00 24.33 H new ATOM 0 HE2 HIS C 225 2.989 -3.845 -6.917 1.00 60.54 H new ATOM 2127 N LEU C 226 4.286 0.179 -3.606 1.00 73.03 N ATOM 2128 CA LEU C 226 4.104 -0.618 -2.412 1.00 44.15 C ATOM 2129 C LEU C 226 2.727 -1.279 -2.447 1.00 64.52 C ATOM 2130 O LEU C 226 1.756 -0.636 -2.746 1.00 33.22 O ATOM 2131 CB LEU C 226 4.177 0.296 -1.180 1.00 73.24 C ATOM 2132 CG LEU C 226 5.478 1.069 -0.965 1.00 4.43 C ATOM 2133 CD1 LEU C 226 5.382 1.928 0.283 1.00 5.11 C ATOM 2134 CD2 LEU C 226 6.655 0.120 -0.863 1.00 30.24 C ATOM 0 H LEU C 226 3.585 0.912 -3.719 1.00 73.03 H new ATOM 0 HA LEU C 226 4.882 -1.380 -2.363 1.00 44.15 H new ATOM 0 HB2 LEU C 226 3.362 1.017 -1.244 1.00 73.24 H new ATOM 0 HB3 LEU C 226 3.995 -0.314 -0.295 1.00 73.24 H new ATOM 0 HG LEU C 226 5.636 1.719 -1.825 1.00 4.43 H new ATOM 0 HD11 LEU C 226 6.316 2.472 0.423 1.00 5.11 H new ATOM 0 HD12 LEU C 226 4.561 2.637 0.174 1.00 5.11 H new ATOM 0 HD13 LEU C 226 5.200 1.292 1.149 1.00 5.11 H new ATOM 0 HD21 LEU C 226 7.571 0.691 -0.710 1.00 30.24 H new ATOM 0 HD22 LEU C 226 6.505 -0.557 -0.022 1.00 30.24 H new ATOM 0 HD23 LEU C 226 6.737 -0.458 -1.784 1.00 30.24 H new ATOM 2146 N LYS C 227 2.653 -2.550 -2.184 1.00 55.23 N ATOM 2147 CA LYS C 227 1.370 -3.226 -2.093 1.00 42.43 C ATOM 2148 C LYS C 227 1.174 -3.694 -0.660 1.00 71.52 C ATOM 2149 O LYS C 227 1.950 -4.495 -0.170 1.00 64.52 O ATOM 2150 CB LYS C 227 1.278 -4.413 -3.082 1.00 52.21 C ATOM 2151 CG LYS C 227 -0.070 -5.135 -3.035 1.00 53.24 C ATOM 2152 CD LYS C 227 -0.156 -6.341 -3.975 1.00 31.50 C ATOM 2153 CE LYS C 227 -0.038 -5.950 -5.439 1.00 21.32 C ATOM 2154 NZ LYS C 227 -0.104 -7.126 -6.338 1.00 14.21 N ATOM 0 H LYS C 227 3.462 -3.151 -2.027 1.00 55.23 H new ATOM 0 HA LYS C 227 0.577 -2.530 -2.368 1.00 42.43 H new ATOM 0 HB2 LYS C 227 1.452 -4.048 -4.094 1.00 52.21 H new ATOM 0 HB3 LYS C 227 2.072 -5.125 -2.859 1.00 52.21 H new ATOM 0 HG2 LYS C 227 -0.259 -5.467 -2.014 1.00 53.24 H new ATOM 0 HG3 LYS C 227 -0.860 -4.429 -3.292 1.00 53.24 H new ATOM 0 HD2 LYS C 227 0.636 -7.048 -3.727 1.00 31.50 H new ATOM 0 HD3 LYS C 227 -1.104 -6.855 -3.815 1.00 31.50 H new ATOM 0 HE2 LYS C 227 -0.838 -5.255 -5.693 1.00 21.32 H new ATOM 0 HE3 LYS C 227 0.904 -5.425 -5.599 1.00 21.32 H new ATOM 0 HZ1 LYS C 227 -0.020 -6.813 -7.326 1.00 14.21 H new ATOM 0 HZ2 LYS C 227 0.674 -7.778 -6.114 1.00 14.21 H new ATOM 0 HZ3 LYS C 227 -1.013 -7.613 -6.206 1.00 14.21 H new ATOM 2168 N ILE C 228 0.141 -3.217 -0.005 1.00 52.44 N ATOM 2169 CA ILE C 228 -0.043 -3.490 1.397 1.00 40.34 C ATOM 2170 C ILE C 228 -1.119 -4.549 1.591 1.00 73.12 C ATOM 2171 O ILE C 228 -2.253 -4.399 1.105 1.00 62.52 O ATOM 2172 CB ILE C 228 -0.474 -2.211 2.168 1.00 32.02 C ATOM 2173 CG1 ILE C 228 0.478 -1.043 1.869 1.00 63.05 C ATOM 2174 CG2 ILE C 228 -0.502 -2.494 3.665 1.00 75.52 C ATOM 2175 CD1 ILE C 228 0.124 0.240 2.595 1.00 34.43 C ATOM 0 H ILE C 228 -0.585 -2.637 -0.424 1.00 52.44 H new ATOM 0 HA ILE C 228 0.912 -3.843 1.787 1.00 40.34 H new ATOM 0 HB ILE C 228 -1.473 -1.929 1.836 1.00 32.02 H new ATOM 0 HG12 ILE C 228 1.492 -1.335 2.141 1.00 63.05 H new ATOM 0 HG13 ILE C 228 0.478 -0.853 0.796 1.00 63.05 H new ATOM 0 HG21 ILE C 228 -0.805 -1.594 4.200 1.00 75.52 H new ATOM 0 HG22 ILE C 228 -1.213 -3.295 3.871 1.00 75.52 H new ATOM 0 HG23 ILE C 228 0.491 -2.796 3.997 1.00 75.52 H new ATOM 0 HD11 ILE C 228 0.842 1.017 2.332 1.00 34.43 H new ATOM 0 HD12 ILE C 228 -0.877 0.558 2.304 1.00 34.43 H new ATOM 0 HD13 ILE C 228 0.152 0.069 3.671 1.00 34.43 H new ATOM 2187 N LEU C 229 -0.763 -5.614 2.272 1.00 4.53 N ATOM 2188 CA LEU C 229 -1.693 -6.671 2.583 1.00 22.42 C ATOM 2189 C LEU C 229 -1.764 -6.880 4.097 1.00 23.32 C ATOM 2190 O LEU C 229 -0.750 -6.720 4.816 1.00 75.15 O ATOM 2191 CB LEU C 229 -1.372 -8.003 1.861 1.00 52.13 C ATOM 2192 CG LEU C 229 -1.441 -8.030 0.313 1.00 62.24 C ATOM 2193 CD1 LEU C 229 -0.292 -7.308 -0.342 1.00 31.12 C ATOM 2194 CD2 LEU C 229 -1.550 -9.445 -0.205 1.00 52.24 C ATOM 0 H LEU C 229 0.181 -5.770 2.626 1.00 4.53 H new ATOM 0 HA LEU C 229 -2.667 -6.352 2.211 1.00 22.42 H new ATOM 0 HB2 LEU C 229 -0.368 -8.308 2.155 1.00 52.13 H new ATOM 0 HB3 LEU C 229 -2.059 -8.761 2.239 1.00 52.13 H new ATOM 0 HG LEU C 229 -2.346 -7.488 0.040 1.00 62.24 H new ATOM 0 HD11 LEU C 229 -0.398 -7.363 -1.425 1.00 31.12 H new ATOM 0 HD12 LEU C 229 -0.293 -6.264 -0.030 1.00 31.12 H new ATOM 0 HD13 LEU C 229 0.647 -7.774 -0.045 1.00 31.12 H new ATOM 0 HD21 LEU C 229 -1.597 -9.431 -1.294 1.00 52.24 H new ATOM 0 HD22 LEU C 229 -0.679 -10.017 0.114 1.00 52.24 H new ATOM 0 HD23 LEU C 229 -2.453 -9.909 0.191 1.00 52.24 H new ATOM 2206 N ASN C 230 -2.933 -7.244 4.579 1.00 61.31 N ATOM 2207 CA ASN C 230 -3.160 -7.387 6.009 1.00 30.33 C ATOM 2208 C ASN C 230 -3.540 -8.820 6.335 1.00 52.31 C ATOM 2209 O ASN C 230 -4.668 -9.257 6.096 1.00 60.32 O ATOM 2210 CB ASN C 230 -4.250 -6.391 6.461 1.00 44.21 C ATOM 2211 CG ASN C 230 -4.534 -6.320 7.973 1.00 33.25 C ATOM 2212 OD1 ASN C 230 -4.864 -5.249 8.475 1.00 1.03 O ATOM 2213 ND2 ASN C 230 -4.471 -7.415 8.684 1.00 12.23 N ATOM 0 H ASN C 230 -3.748 -7.448 4.001 1.00 61.31 H new ATOM 0 HA ASN C 230 -2.244 -7.157 6.553 1.00 30.33 H new ATOM 0 HB2 ASN C 230 -3.964 -5.396 6.121 1.00 44.21 H new ATOM 0 HB3 ASN C 230 -5.179 -6.648 5.951 1.00 44.21 H new ATOM 0 HD21 ASN C 230 -4.699 -7.391 9.678 1.00 12.23 H new ATOM 0 HD22 ASN C 230 -4.194 -8.293 8.245 1.00 12.23 H new ATOM 2220 N THR C 231 -2.598 -9.514 6.886 1.00 10.43 N ATOM 2221 CA THR C 231 -2.714 -10.909 7.244 1.00 4.24 C ATOM 2222 C THR C 231 -3.222 -11.072 8.683 1.00 33.02 C ATOM 2223 O THR C 231 -3.208 -10.113 9.443 1.00 43.35 O ATOM 2224 CB THR C 231 -1.327 -11.534 7.133 1.00 14.44 C ATOM 2225 OG1 THR C 231 -0.395 -10.693 7.840 1.00 4.11 O ATOM 2226 CG2 THR C 231 -0.902 -11.659 5.678 1.00 42.00 C ATOM 0 H THR C 231 -1.686 -9.118 7.112 1.00 10.43 H new ATOM 0 HA THR C 231 -3.426 -11.395 6.577 1.00 4.24 H new ATOM 0 HB THR C 231 -1.346 -12.535 7.565 1.00 14.44 H new ATOM 0 HG1 THR C 231 0.159 -10.205 7.196 1.00 4.11 H new ATOM 0 HG21 THR C 231 0.090 -12.107 5.626 1.00 42.00 H new ATOM 0 HG22 THR C 231 -1.613 -12.289 5.144 1.00 42.00 H new ATOM 0 HG23 THR C 231 -0.878 -10.670 5.220 1.00 42.00 H new ATOM 2234 N PRO C 232 -3.714 -12.269 9.061 1.00 75.44 N ATOM 2235 CA PRO C 232 -4.143 -12.532 10.431 1.00 24.41 C ATOM 2236 C PRO C 232 -2.994 -13.061 11.330 1.00 10.33 C ATOM 2237 O PRO C 232 -3.009 -12.890 12.549 1.00 0.14 O ATOM 2238 CB PRO C 232 -5.210 -13.609 10.241 1.00 35.20 C ATOM 2239 CG PRO C 232 -4.759 -14.386 9.041 1.00 4.33 C ATOM 2240 CD PRO C 232 -3.955 -13.436 8.176 1.00 5.21 C ATOM 0 HA PRO C 232 -4.493 -11.631 10.935 1.00 24.41 H new ATOM 0 HB2 PRO C 232 -5.288 -14.249 11.120 1.00 35.20 H new ATOM 0 HB3 PRO C 232 -6.194 -13.168 10.080 1.00 35.20 H new ATOM 0 HG2 PRO C 232 -4.153 -15.241 9.340 1.00 4.33 H new ATOM 0 HG3 PRO C 232 -5.615 -14.778 8.491 1.00 4.33 H new ATOM 0 HD2 PRO C 232 -3.020 -13.889 7.847 1.00 5.21 H new ATOM 0 HD3 PRO C 232 -4.504 -13.151 7.278 1.00 5.21 H new ATOM 2248 N ASN C 233 -1.992 -13.685 10.722 1.00 23.44 N ATOM 2249 CA ASN C 233 -0.898 -14.292 11.492 1.00 15.31 C ATOM 2250 C ASN C 233 0.259 -13.297 11.687 1.00 12.02 C ATOM 2251 O ASN C 233 1.065 -13.424 12.613 1.00 52.41 O ATOM 2252 CB ASN C 233 -0.417 -15.586 10.816 1.00 31.02 C ATOM 2253 CG ASN C 233 0.625 -16.363 11.628 1.00 33.53 C ATOM 2254 OD1 ASN C 233 0.513 -16.349 12.942 1.00 64.35 O flip ATOM 2255 ND2 ASN C 233 1.498 -17.013 11.057 1.00 23.51 N flip ATOM 0 H ASN C 233 -1.909 -13.787 9.711 1.00 23.44 H new ATOM 0 HA ASN C 233 -1.276 -14.550 12.481 1.00 15.31 H new ATOM 0 HB2 ASN C 233 -1.277 -16.231 10.636 1.00 31.02 H new ATOM 0 HB3 ASN C 233 0.006 -15.340 9.842 1.00 31.02 H new ATOM 0 HD21 ASN C 233 1.558 -17.003 10.039 1.00 23.51 H new ATOM 0 HD22 ASN C 233 2.163 -17.563 11.601 1.00 23.51 H new ATOM 2262 N CYS C 234 0.325 -12.324 10.821 1.00 53.25 N ATOM 2263 CA CYS C 234 1.311 -11.262 10.904 1.00 23.22 C ATOM 2264 C CYS C 234 0.560 -9.950 10.884 1.00 51.24 C ATOM 2265 O CYS C 234 -0.581 -9.920 10.434 1.00 42.30 O ATOM 2266 CB CYS C 234 2.312 -11.339 9.737 1.00 75.21 C ATOM 2267 SG CYS C 234 3.279 -12.884 9.674 1.00 21.43 S ATOM 0 H CYS C 234 -0.308 -12.238 10.026 1.00 53.25 H new ATOM 0 HA CYS C 234 1.893 -11.357 11.821 1.00 23.22 H new ATOM 0 HB2 CYS C 234 1.768 -11.227 8.799 1.00 75.21 H new ATOM 0 HB3 CYS C 234 3.000 -10.497 9.808 1.00 75.21 H new ATOM 2272 N ALA C 235 1.172 -8.889 11.358 1.00 11.03 N ATOM 2273 CA ALA C 235 0.492 -7.606 11.466 1.00 64.35 C ATOM 2274 C ALA C 235 0.167 -6.997 10.103 1.00 11.34 C ATOM 2275 O ALA C 235 -1.000 -6.896 9.716 1.00 54.52 O ATOM 2276 CB ALA C 235 1.303 -6.638 12.305 1.00 44.22 C ATOM 0 H ALA C 235 2.141 -8.883 11.677 1.00 11.03 H new ATOM 0 HA ALA C 235 -0.459 -7.794 11.964 1.00 64.35 H new ATOM 0 HB1 ALA C 235 0.777 -5.686 12.373 1.00 44.22 H new ATOM 0 HB2 ALA C 235 1.439 -7.049 13.305 1.00 44.22 H new ATOM 0 HB3 ALA C 235 2.277 -6.482 11.841 1.00 44.22 H new ATOM 2282 N CYS C 236 1.182 -6.613 9.375 1.00 42.33 N ATOM 2283 CA CYS C 236 0.983 -5.962 8.104 1.00 1.30 C ATOM 2284 C CYS C 236 2.205 -6.229 7.219 1.00 52.12 C ATOM 2285 O CYS C 236 3.325 -6.284 7.720 1.00 52.31 O ATOM 2286 CB CYS C 236 0.786 -4.439 8.356 1.00 33.44 C ATOM 2287 SG CYS C 236 0.340 -3.440 6.897 1.00 43.22 S ATOM 0 H CYS C 236 2.159 -6.740 9.640 1.00 42.33 H new ATOM 0 HA CYS C 236 0.099 -6.347 7.595 1.00 1.30 H new ATOM 0 HB2 CYS C 236 0.009 -4.313 9.110 1.00 33.44 H new ATOM 0 HB3 CYS C 236 1.708 -4.038 8.778 1.00 33.44 H new ATOM 2292 N GLN C 237 1.991 -6.456 5.931 1.00 75.22 N ATOM 2293 CA GLN C 237 3.105 -6.665 5.008 1.00 73.54 C ATOM 2294 C GLN C 237 2.934 -5.784 3.826 1.00 14.03 C ATOM 2295 O GLN C 237 1.839 -5.688 3.272 1.00 51.11 O ATOM 2296 CB GLN C 237 3.297 -8.132 4.485 1.00 32.31 C ATOM 2297 CG GLN C 237 3.682 -9.220 5.502 1.00 23.42 C ATOM 2298 CD GLN C 237 2.511 -9.876 6.208 1.00 15.43 C ATOM 2299 OE1 GLN C 237 1.441 -9.179 6.363 1.00 4.42 O flip ATOM 2300 NE2 GLN C 237 2.583 -11.029 6.586 1.00 3.11 N flip ATOM 0 H GLN C 237 1.067 -6.501 5.501 1.00 75.22 H new ATOM 0 HA GLN C 237 3.994 -6.432 5.594 1.00 73.54 H new ATOM 0 HB2 GLN C 237 2.368 -8.439 4.004 1.00 32.31 H new ATOM 0 HB3 GLN C 237 4.065 -8.112 3.711 1.00 32.31 H new ATOM 0 HG2 GLN C 237 4.256 -9.991 4.988 1.00 23.42 H new ATOM 0 HG3 GLN C 237 4.340 -8.780 6.252 1.00 23.42 H new ATOM 0 HE21 GLN C 237 3.445 -11.558 6.450 1.00 3.11 H new ATOM 0 HE22 GLN C 237 1.782 -11.468 7.039 1.00 3.11 H new ATOM 2309 N ILE C 238 3.981 -5.141 3.445 1.00 10.21 N ATOM 2310 CA ILE C 238 3.961 -4.317 2.283 1.00 63.11 C ATOM 2311 C ILE C 238 4.948 -4.903 1.311 1.00 30.11 C ATOM 2312 O ILE C 238 6.087 -5.050 1.641 1.00 42.24 O ATOM 2313 CB ILE C 238 4.374 -2.863 2.618 1.00 40.32 C ATOM 2314 CG1 ILE C 238 3.477 -2.293 3.726 1.00 10.41 C ATOM 2315 CG2 ILE C 238 4.309 -1.998 1.373 1.00 10.24 C ATOM 2316 CD1 ILE C 238 3.753 -0.843 4.077 1.00 43.53 C ATOM 0 H ILE C 238 4.878 -5.170 3.929 1.00 10.21 H new ATOM 0 HA ILE C 238 2.953 -4.286 1.868 1.00 63.11 H new ATOM 0 HB ILE C 238 5.402 -2.865 2.980 1.00 40.32 H new ATOM 0 HG12 ILE C 238 2.436 -2.387 3.417 1.00 10.41 H new ATOM 0 HG13 ILE C 238 3.599 -2.900 4.623 1.00 10.41 H new ATOM 0 HG21 ILE C 238 4.602 -0.978 1.623 1.00 10.24 H new ATOM 0 HG22 ILE C 238 4.987 -2.396 0.618 1.00 10.24 H new ATOM 0 HG23 ILE C 238 3.291 -1.998 0.983 1.00 10.24 H new ATOM 0 HD11 ILE C 238 3.074 -0.524 4.868 1.00 43.53 H new ATOM 0 HD12 ILE C 238 4.783 -0.741 4.420 1.00 43.53 H new ATOM 0 HD13 ILE C 238 3.601 -0.220 3.196 1.00 43.53 H new ATOM 2328 N VAL C 239 4.516 -5.253 0.152 1.00 61.14 N ATOM 2329 CA VAL C 239 5.416 -5.841 -0.811 1.00 21.11 C ATOM 2330 C VAL C 239 5.665 -4.871 -1.945 1.00 63.24 C ATOM 2331 O VAL C 239 4.743 -4.213 -2.446 1.00 41.45 O ATOM 2332 CB VAL C 239 4.935 -7.228 -1.338 1.00 10.24 C ATOM 2333 CG1 VAL C 239 4.791 -8.214 -0.189 1.00 32.11 C ATOM 2334 CG2 VAL C 239 3.635 -7.125 -2.116 1.00 73.42 C ATOM 0 H VAL C 239 3.552 -5.149 -0.164 1.00 61.14 H new ATOM 0 HA VAL C 239 6.357 -6.036 -0.296 1.00 21.11 H new ATOM 0 HB VAL C 239 5.696 -7.594 -2.027 1.00 10.24 H new ATOM 0 HG11 VAL C 239 4.455 -9.176 -0.575 1.00 32.11 H new ATOM 0 HG12 VAL C 239 5.754 -8.338 0.307 1.00 32.11 H new ATOM 0 HG13 VAL C 239 4.061 -7.835 0.526 1.00 32.11 H new ATOM 0 HG21 VAL C 239 3.339 -8.115 -2.463 1.00 73.42 H new ATOM 0 HG22 VAL C 239 2.856 -6.719 -1.471 1.00 73.42 H new ATOM 0 HG23 VAL C 239 3.775 -6.467 -2.973 1.00 73.42 H new ATOM 2344 N ALA C 240 6.888 -4.760 -2.331 1.00 45.33 N ATOM 2345 CA ALA C 240 7.278 -3.798 -3.310 1.00 13.33 C ATOM 2346 C ALA C 240 7.938 -4.458 -4.479 1.00 73.22 C ATOM 2347 O ALA C 240 8.631 -5.461 -4.329 1.00 24.02 O ATOM 2348 CB ALA C 240 8.213 -2.780 -2.688 1.00 23.40 C ATOM 0 H ALA C 240 7.652 -5.335 -1.977 1.00 45.33 H new ATOM 0 HA ALA C 240 6.382 -3.291 -3.670 1.00 13.33 H new ATOM 0 HB1 ALA C 240 8.507 -2.048 -3.441 1.00 23.40 H new ATOM 0 HB2 ALA C 240 7.705 -2.273 -1.868 1.00 23.40 H new ATOM 0 HB3 ALA C 240 9.100 -3.286 -2.308 1.00 23.40 H new ATOM 2354 N ARG C 241 7.710 -3.918 -5.647 1.00 65.31 N ATOM 2355 CA ARG C 241 8.357 -4.417 -6.820 1.00 5.32 C ATOM 2356 C ARG C 241 9.425 -3.466 -7.266 1.00 3.10 C ATOM 2357 O ARG C 241 9.161 -2.265 -7.460 1.00 31.50 O ATOM 2358 CB ARG C 241 7.386 -4.727 -7.974 1.00 75.14 C ATOM 2359 CG ARG C 241 6.420 -5.855 -7.679 1.00 10.35 C ATOM 2360 CD ARG C 241 5.792 -6.379 -8.951 1.00 73.45 C ATOM 2361 NE ARG C 241 5.123 -7.671 -8.749 1.00 71.33 N ATOM 2362 CZ ARG C 241 4.577 -8.393 -9.742 1.00 61.20 C ATOM 2363 NH1 ARG C 241 4.488 -7.884 -10.966 1.00 72.23 N ATOM 2364 NH2 ARG C 241 4.118 -9.612 -9.507 1.00 73.51 N ATOM 0 H ARG C 241 7.080 -3.132 -5.806 1.00 65.31 H new ATOM 0 HA ARG C 241 8.808 -5.370 -6.544 1.00 5.32 H new ATOM 0 HB2 ARG C 241 6.817 -3.827 -8.208 1.00 75.14 H new ATOM 0 HB3 ARG C 241 7.963 -4.980 -8.863 1.00 75.14 H new ATOM 0 HG2 ARG C 241 6.944 -6.663 -7.169 1.00 10.35 H new ATOM 0 HG3 ARG C 241 5.641 -5.503 -7.003 1.00 10.35 H new ATOM 0 HD2 ARG C 241 5.070 -5.652 -9.324 1.00 73.45 H new ATOM 0 HD3 ARG C 241 6.561 -6.486 -9.716 1.00 73.45 H new ATOM 0 HE ARG C 241 5.070 -8.041 -7.800 1.00 71.33 H new ATOM 0 HH11 ARG C 241 4.835 -6.943 -11.154 1.00 72.23 H new ATOM 0 HH12 ARG C 241 4.073 -8.434 -11.718 1.00 72.23 H new ATOM 0 HH21 ARG C 241 4.178 -10.007 -8.569 1.00 73.51 H new ATOM 0 HH22 ARG C 241 3.704 -10.156 -10.264 1.00 73.51 H new ATOM 2378 N LEU C 242 10.626 -3.985 -7.382 1.00 14.44 N ATOM 2379 CA LEU C 242 11.785 -3.237 -7.846 1.00 64.03 C ATOM 2380 C LEU C 242 11.581 -2.791 -9.293 1.00 64.03 C ATOM 2381 O LEU C 242 10.860 -3.453 -10.053 1.00 13.22 O ATOM 2382 CB LEU C 242 13.039 -4.114 -7.721 1.00 0.33 C ATOM 2383 CG LEU C 242 13.417 -4.568 -6.304 1.00 51.42 C ATOM 2384 CD1 LEU C 242 14.689 -5.388 -6.338 1.00 63.33 C ATOM 2385 CD2 LEU C 242 13.573 -3.376 -5.365 1.00 13.12 C ATOM 0 H LEU C 242 10.835 -4.957 -7.154 1.00 14.44 H new ATOM 0 HA LEU C 242 11.912 -2.346 -7.232 1.00 64.03 H new ATOM 0 HB2 LEU C 242 12.898 -5.002 -8.338 1.00 0.33 H new ATOM 0 HB3 LEU C 242 13.882 -3.566 -8.140 1.00 0.33 H new ATOM 0 HG LEU C 242 12.608 -5.190 -5.921 1.00 51.42 H new ATOM 0 HD11 LEU C 242 14.946 -5.703 -5.327 1.00 63.33 H new ATOM 0 HD12 LEU C 242 14.539 -6.267 -6.965 1.00 63.33 H new ATOM 0 HD13 LEU C 242 15.500 -4.785 -6.747 1.00 63.33 H new ATOM 0 HD21 LEU C 242 13.841 -3.730 -4.369 1.00 13.12 H new ATOM 0 HD22 LEU C 242 14.357 -2.718 -5.739 1.00 13.12 H new ATOM 0 HD23 LEU C 242 12.633 -2.827 -5.314 1.00 13.12 H new ATOM 2397 N LYS C 243 12.193 -1.662 -9.660 1.00 31.31 N ATOM 2398 CA LYS C 243 12.059 -1.071 -10.976 1.00 71.44 C ATOM 2399 C LYS C 243 12.428 -2.017 -12.112 1.00 54.14 C ATOM 2400 O LYS C 243 13.370 -2.812 -11.995 1.00 63.52 O ATOM 2401 CB LYS C 243 12.886 0.164 -11.009 1.00 14.20 C ATOM 2402 CG LYS C 243 12.527 1.085 -9.874 1.00 15.23 C ATOM 2403 CD LYS C 243 13.316 2.323 -9.895 1.00 11.33 C ATOM 2404 CE LYS C 243 14.817 2.069 -9.814 1.00 25.54 C ATOM 2405 NZ LYS C 243 15.570 3.332 -9.737 1.00 70.15 N ATOM 0 H LYS C 243 12.802 -1.132 -9.036 1.00 31.31 H new ATOM 0 HA LYS C 243 11.007 -0.837 -11.142 1.00 71.44 H new ATOM 0 HB2 LYS C 243 13.942 -0.100 -10.948 1.00 14.20 H new ATOM 0 HB3 LYS C 243 12.740 0.678 -11.959 1.00 14.20 H new ATOM 0 HG2 LYS C 243 11.467 1.331 -9.929 1.00 15.23 H new ATOM 0 HG3 LYS C 243 12.686 0.571 -8.926 1.00 15.23 H new ATOM 0 HD2 LYS C 243 13.094 2.874 -10.809 1.00 11.33 H new ATOM 0 HD3 LYS C 243 13.014 2.955 -9.060 1.00 11.33 H new ATOM 0 HE2 LYS C 243 15.038 1.458 -8.939 1.00 25.54 H new ATOM 0 HE3 LYS C 243 15.140 1.503 -10.688 1.00 25.54 H new ATOM 0 HZ1 LYS C 243 16.588 3.126 -9.683 1.00 70.15 H new ATOM 0 HZ2 LYS C 243 15.377 3.904 -10.584 1.00 70.15 H new ATOM 0 HZ3 LYS C 243 15.278 3.859 -8.890 1.00 70.15 H new ATOM 2461 N ARG C 247 12.690 -8.601 -9.168 1.00 74.41 N ATOM 2462 CA ARG C 247 11.864 -9.381 -8.271 1.00 41.10 C ATOM 2463 C ARG C 247 11.185 -8.534 -7.235 1.00 53.34 C ATOM 2464 O ARG C 247 11.520 -7.354 -7.064 1.00 33.20 O ATOM 2465 CB ARG C 247 12.595 -10.625 -7.690 1.00 0.31 C ATOM 2466 CG ARG C 247 13.991 -10.395 -7.128 1.00 71.11 C ATOM 2467 CD ARG C 247 14.035 -9.516 -5.891 1.00 34.11 C ATOM 2468 NE ARG C 247 13.369 -10.122 -4.730 1.00 20.34 N ATOM 2469 CZ ARG C 247 13.964 -10.342 -3.549 1.00 15.52 C ATOM 2470 NH1 ARG C 247 15.280 -10.152 -3.422 1.00 53.35 N ATOM 2471 NH2 ARG C 247 13.248 -10.767 -2.509 1.00 4.20 N ATOM 0 HA ARG C 247 11.060 -9.796 -8.878 1.00 41.10 H new ATOM 0 HB2 ARG C 247 11.974 -11.046 -6.899 1.00 0.31 H new ATOM 0 HB3 ARG C 247 12.664 -11.377 -8.476 1.00 0.31 H new ATOM 0 HG2 ARG C 247 14.436 -11.361 -6.888 1.00 71.11 H new ATOM 0 HG3 ARG C 247 14.610 -9.942 -7.902 1.00 71.11 H new ATOM 0 HD2 ARG C 247 15.074 -9.307 -5.638 1.00 34.11 H new ATOM 0 HD3 ARG C 247 13.563 -8.560 -6.115 1.00 34.11 H new ATOM 0 HE ARG C 247 12.391 -10.393 -4.829 1.00 20.34 H new ATOM 0 HH11 ARG C 247 15.830 -9.840 -4.223 1.00 53.35 H new ATOM 0 HH12 ARG C 247 15.735 -10.319 -2.524 1.00 53.35 H new ATOM 0 HH21 ARG C 247 12.246 -10.926 -2.611 1.00 4.20 H new ATOM 0 HH22 ARG C 247 13.702 -10.934 -1.611 1.00 4.20 H new ATOM 2485 N GLN C 248 10.245 -9.113 -6.549 1.00 61.13 N ATOM 2486 CA GLN C 248 9.511 -8.384 -5.556 1.00 31.43 C ATOM 2487 C GLN C 248 10.094 -8.676 -4.214 1.00 43.21 C ATOM 2488 O GLN C 248 10.746 -9.713 -4.028 1.00 44.23 O ATOM 2489 CB GLN C 248 7.979 -8.678 -5.640 1.00 3.25 C ATOM 2490 CG GLN C 248 7.529 -10.126 -5.372 1.00 52.54 C ATOM 2491 CD GLN C 248 7.582 -10.544 -3.911 1.00 34.03 C ATOM 2492 OE1 GLN C 248 7.405 -9.732 -3.012 1.00 5.14 O ATOM 2493 NE2 GLN C 248 7.819 -11.809 -3.672 1.00 62.41 N ATOM 0 H GLN C 248 9.968 -10.088 -6.658 1.00 61.13 H new ATOM 0 HA GLN C 248 9.605 -7.314 -5.740 1.00 31.43 H new ATOM 0 HB2 GLN C 248 7.470 -8.028 -4.928 1.00 3.25 H new ATOM 0 HB3 GLN C 248 7.634 -8.395 -6.634 1.00 3.25 H new ATOM 0 HG2 GLN C 248 6.509 -10.249 -5.735 1.00 52.54 H new ATOM 0 HG3 GLN C 248 8.157 -10.801 -5.953 1.00 52.54 H new ATOM 0 HE21 GLN C 248 7.961 -12.456 -4.447 1.00 62.41 H new ATOM 0 HE22 GLN C 248 7.861 -12.147 -2.711 1.00 62.41 H new ATOM 2502 N VAL C 249 9.893 -7.791 -3.301 1.00 51.55 N ATOM 2503 CA VAL C 249 10.443 -7.913 -1.991 1.00 62.35 C ATOM 2504 C VAL C 249 9.377 -7.558 -1.010 1.00 13.54 C ATOM 2505 O VAL C 249 8.442 -6.811 -1.342 1.00 21.13 O ATOM 2506 CB VAL C 249 11.710 -6.994 -1.760 1.00 42.31 C ATOM 2507 CG1 VAL C 249 12.848 -7.366 -2.674 1.00 43.01 C ATOM 2508 CG2 VAL C 249 11.394 -5.531 -1.949 1.00 11.12 C ATOM 0 H VAL C 249 9.335 -6.949 -3.442 1.00 51.55 H new ATOM 0 HA VAL C 249 10.783 -8.940 -1.860 1.00 62.35 H new ATOM 0 HB VAL C 249 12.010 -7.161 -0.726 1.00 42.31 H new ATOM 0 HG11 VAL C 249 13.698 -6.711 -2.482 1.00 43.01 H new ATOM 0 HG12 VAL C 249 13.139 -8.400 -2.490 1.00 43.01 H new ATOM 0 HG13 VAL C 249 12.532 -7.257 -3.711 1.00 43.01 H new ATOM 0 HG21 VAL C 249 12.294 -4.940 -1.780 1.00 11.12 H new ATOM 0 HG22 VAL C 249 11.036 -5.364 -2.965 1.00 11.12 H new ATOM 0 HG23 VAL C 249 10.624 -5.230 -1.239 1.00 11.12 H new ATOM 2518 N CYS C 250 9.493 -8.047 0.160 1.00 40.33 N ATOM 2519 CA CYS C 250 8.531 -7.763 1.157 1.00 71.21 C ATOM 2520 C CYS C 250 9.153 -6.773 2.058 1.00 22.10 C ATOM 2521 O CYS C 250 10.225 -6.980 2.502 1.00 43.43 O ATOM 2522 CB CYS C 250 8.178 -9.042 1.901 1.00 55.44 C ATOM 2523 SG CYS C 250 7.561 -10.363 0.806 1.00 71.03 S ATOM 0 H CYS C 250 10.255 -8.656 0.459 1.00 40.33 H new ATOM 0 HA CYS C 250 7.606 -7.368 0.737 1.00 71.21 H new ATOM 0 HB2 CYS C 250 9.060 -9.401 2.432 1.00 55.44 H new ATOM 0 HB3 CYS C 250 7.421 -8.820 2.654 1.00 55.44 H new ATOM 2528 N ILE C 251 8.498 -5.697 2.301 1.00 72.40 N ATOM 2529 CA ILE C 251 9.066 -4.622 3.067 1.00 71.24 C ATOM 2530 C ILE C 251 8.436 -4.574 4.436 1.00 31.14 C ATOM 2531 O ILE C 251 7.245 -4.917 4.600 1.00 3.34 O ATOM 2532 CB ILE C 251 8.822 -3.249 2.357 1.00 33.14 C ATOM 2533 CG1 ILE C 251 9.281 -3.297 0.904 1.00 4.21 C ATOM 2534 CG2 ILE C 251 9.557 -2.128 3.075 1.00 4.35 C ATOM 2535 CD1 ILE C 251 10.725 -3.684 0.746 1.00 13.41 C ATOM 0 H ILE C 251 7.546 -5.525 1.977 1.00 72.40 H new ATOM 0 HA ILE C 251 10.138 -4.800 3.154 1.00 71.24 H new ATOM 0 HB ILE C 251 7.750 -3.053 2.388 1.00 33.14 H new ATOM 0 HG12 ILE C 251 8.660 -4.008 0.358 1.00 4.21 H new ATOM 0 HG13 ILE C 251 9.123 -2.320 0.448 1.00 4.21 H new ATOM 0 HG21 ILE C 251 9.371 -1.184 2.562 1.00 4.35 H new ATOM 0 HG22 ILE C 251 9.200 -2.059 4.103 1.00 4.35 H new ATOM 0 HG23 ILE C 251 10.627 -2.336 3.076 1.00 4.35 H new ATOM 0 HD11 ILE C 251 10.984 -3.698 -0.313 1.00 13.41 H new ATOM 0 HD12 ILE C 251 11.354 -2.960 1.264 1.00 13.41 H new ATOM 0 HD13 ILE C 251 10.885 -4.674 1.172 1.00 13.41 H new ATOM 2547 N ASP C 252 9.231 -4.199 5.419 1.00 21.43 N ATOM 2548 CA ASP C 252 8.751 -3.993 6.757 1.00 51.42 C ATOM 2549 C ASP C 252 7.863 -2.753 6.736 1.00 41.04 C ATOM 2550 O ASP C 252 8.295 -1.685 6.286 1.00 72.14 O ATOM 2551 CB ASP C 252 9.930 -3.769 7.715 1.00 33.32 C ATOM 2552 CG ASP C 252 9.509 -3.738 9.169 1.00 4.13 C ATOM 2553 OD1 ASP C 252 8.867 -2.780 9.591 1.00 22.22 O ATOM 2554 OD2 ASP C 252 9.810 -4.707 9.894 1.00 20.25 O ATOM 0 H ASP C 252 10.230 -4.030 5.304 1.00 21.43 H new ATOM 0 HA ASP C 252 8.195 -4.865 7.101 1.00 51.42 H new ATOM 0 HB2 ASP C 252 10.664 -4.562 7.571 1.00 33.32 H new ATOM 0 HB3 ASP C 252 10.422 -2.829 7.464 1.00 33.32 H new ATOM 2559 N PRO C 253 6.618 -2.865 7.200 1.00 53.22 N ATOM 2560 CA PRO C 253 5.657 -1.752 7.167 1.00 42.03 C ATOM 2561 C PRO C 253 6.011 -0.638 8.146 1.00 31.20 C ATOM 2562 O PRO C 253 5.395 0.429 8.156 1.00 15.03 O ATOM 2563 CB PRO C 253 4.344 -2.413 7.579 1.00 74.41 C ATOM 2564 CG PRO C 253 4.748 -3.590 8.389 1.00 55.52 C ATOM 2565 CD PRO C 253 6.037 -4.078 7.798 1.00 52.03 C ATOM 0 HA PRO C 253 5.630 -1.272 6.189 1.00 42.03 H new ATOM 0 HB2 PRO C 253 3.722 -1.730 8.157 1.00 74.41 H new ATOM 0 HB3 PRO C 253 3.762 -2.714 6.708 1.00 74.41 H new ATOM 0 HG2 PRO C 253 4.878 -3.317 9.436 1.00 55.52 H new ATOM 0 HG3 PRO C 253 3.985 -4.367 8.355 1.00 55.52 H new ATOM 0 HD2 PRO C 253 6.692 -4.505 8.558 1.00 52.03 H new ATOM 0 HD3 PRO C 253 5.868 -4.853 7.051 1.00 52.03 H new ATOM 2573 N LYS C 254 6.992 -0.885 8.961 1.00 54.31 N ATOM 2574 CA LYS C 254 7.386 0.033 9.956 1.00 12.24 C ATOM 2575 C LYS C 254 8.819 0.512 9.730 1.00 21.50 C ATOM 2576 O LYS C 254 9.420 1.163 10.594 1.00 55.42 O ATOM 2577 CB LYS C 254 7.178 -0.614 11.309 1.00 5.12 C ATOM 2578 CG LYS C 254 5.709 -0.968 11.542 1.00 3.24 C ATOM 2579 CD LYS C 254 5.453 -1.669 12.859 1.00 54.33 C ATOM 2580 CE LYS C 254 6.147 -3.013 12.920 1.00 20.13 C ATOM 2581 NZ LYS C 254 5.860 -3.721 14.176 1.00 2.24 N ATOM 0 H LYS C 254 7.541 -1.745 8.943 1.00 54.31 H new ATOM 0 HA LYS C 254 6.773 0.933 9.909 1.00 12.24 H new ATOM 0 HB2 LYS C 254 7.786 -1.516 11.379 1.00 5.12 H new ATOM 0 HB3 LYS C 254 7.519 0.062 12.093 1.00 5.12 H new ATOM 0 HG2 LYS C 254 5.114 -0.055 11.505 1.00 3.24 H new ATOM 0 HG3 LYS C 254 5.365 -1.606 10.728 1.00 3.24 H new ATOM 0 HD2 LYS C 254 5.801 -1.042 13.679 1.00 54.33 H new ATOM 0 HD3 LYS C 254 4.380 -1.806 12.996 1.00 54.33 H new ATOM 0 HE2 LYS C 254 5.827 -3.625 12.077 1.00 20.13 H new ATOM 0 HE3 LYS C 254 7.223 -2.871 12.821 1.00 20.13 H new ATOM 0 HZ1 LYS C 254 6.353 -4.637 14.179 1.00 2.24 H new ATOM 0 HZ2 LYS C 254 6.188 -3.148 14.980 1.00 2.24 H new ATOM 0 HZ3 LYS C 254 4.836 -3.880 14.259 1.00 2.24 H new ATOM 2595 N LEU C 255 9.349 0.202 8.545 1.00 42.44 N ATOM 2596 CA LEU C 255 10.654 0.639 8.117 1.00 65.41 C ATOM 2597 C LEU C 255 10.643 2.184 8.075 1.00 11.03 C ATOM 2598 O LEU C 255 9.619 2.780 7.735 1.00 44.33 O ATOM 2599 CB LEU C 255 10.889 0.084 6.704 1.00 1.24 C ATOM 2600 CG LEU C 255 12.321 -0.215 6.264 1.00 5.42 C ATOM 2601 CD1 LEU C 255 12.333 -0.768 4.857 1.00 10.54 C ATOM 2602 CD2 LEU C 255 13.258 0.974 6.366 1.00 53.44 C ATOM 0 H LEU C 255 8.865 -0.370 7.853 1.00 42.44 H new ATOM 0 HA LEU C 255 11.439 0.293 8.789 1.00 65.41 H new ATOM 0 HB2 LEU C 255 10.315 -0.838 6.611 1.00 1.24 H new ATOM 0 HB3 LEU C 255 10.467 0.796 5.995 1.00 1.24 H new ATOM 0 HG LEU C 255 12.700 -0.960 6.963 1.00 5.42 H new ATOM 0 HD11 LEU C 255 13.360 -0.976 4.557 1.00 10.54 H new ATOM 0 HD12 LEU C 255 11.751 -1.689 4.823 1.00 10.54 H new ATOM 0 HD13 LEU C 255 11.897 -0.038 4.175 1.00 10.54 H new ATOM 0 HD21 LEU C 255 14.255 0.681 6.036 1.00 53.44 H new ATOM 0 HD22 LEU C 255 12.890 1.783 5.735 1.00 53.44 H new ATOM 0 HD23 LEU C 255 13.304 1.314 7.401 1.00 53.44 H new ATOM 2614 N LYS C 256 11.780 2.805 8.399 1.00 5.14 N ATOM 2615 CA LYS C 256 11.922 4.264 8.471 1.00 13.13 C ATOM 2616 C LYS C 256 11.281 5.013 7.305 1.00 74.35 C ATOM 2617 O LYS C 256 10.412 5.848 7.520 1.00 41.20 O ATOM 2618 CB LYS C 256 13.378 4.667 8.592 1.00 32.12 C ATOM 2619 CG LYS C 256 13.540 6.161 8.729 1.00 52.50 C ATOM 2620 CD LYS C 256 14.960 6.580 8.994 1.00 31.22 C ATOM 2621 CE LYS C 256 15.913 6.298 7.853 1.00 31.43 C ATOM 2622 NZ LYS C 256 17.276 6.789 8.172 1.00 40.43 N ATOM 0 H LYS C 256 12.640 2.303 8.622 1.00 5.14 H new ATOM 0 HA LYS C 256 11.378 4.555 9.369 1.00 13.13 H new ATOM 0 HB2 LYS C 256 13.820 4.173 9.457 1.00 32.12 H new ATOM 0 HB3 LYS C 256 13.924 4.322 7.714 1.00 32.12 H new ATOM 0 HG2 LYS C 256 13.190 6.643 7.816 1.00 52.50 H new ATOM 0 HG3 LYS C 256 12.905 6.516 9.541 1.00 52.50 H new ATOM 0 HD2 LYS C 256 14.977 7.648 9.212 1.00 31.22 H new ATOM 0 HD3 LYS C 256 15.318 6.067 9.887 1.00 31.22 H new ATOM 0 HE2 LYS C 256 15.944 5.226 7.656 1.00 31.43 H new ATOM 0 HE3 LYS C 256 15.552 6.779 6.944 1.00 31.43 H new ATOM 0 HZ1 LYS C 256 17.914 6.585 7.376 1.00 40.43 H new ATOM 0 HZ2 LYS C 256 17.245 7.815 8.337 1.00 40.43 H new ATOM 0 HZ3 LYS C 256 17.626 6.311 9.027 1.00 40.43 H new ATOM 2636 N TRP C 257 11.680 4.722 6.071 1.00 64.14 N ATOM 2637 CA TRP C 257 11.113 5.474 4.973 1.00 30.03 C ATOM 2638 C TRP C 257 9.656 5.140 4.716 1.00 32.54 C ATOM 2639 O TRP C 257 8.924 5.954 4.159 1.00 73.51 O ATOM 2640 CB TRP C 257 11.960 5.502 3.698 1.00 61.22 C ATOM 2641 CG TRP C 257 12.171 4.206 2.990 1.00 24.05 C ATOM 2642 CD1 TRP C 257 13.242 3.381 3.104 1.00 34.20 C ATOM 2643 CD2 TRP C 257 11.304 3.609 2.014 1.00 62.43 C ATOM 2644 NE1 TRP C 257 13.102 2.320 2.260 1.00 64.21 N ATOM 2645 CE2 TRP C 257 11.916 2.436 1.581 1.00 23.51 C ATOM 2646 CE3 TRP C 257 10.065 3.960 1.472 1.00 50.43 C ATOM 2647 CZ2 TRP C 257 11.335 1.613 0.618 1.00 63.33 C ATOM 2648 CZ3 TRP C 257 9.499 3.147 0.522 1.00 55.31 C ATOM 2649 CH2 TRP C 257 10.136 1.987 0.108 1.00 43.44 C ATOM 0 H TRP C 257 12.361 4.006 5.819 1.00 64.14 H new ATOM 0 HA TRP C 257 11.135 6.507 5.321 1.00 30.03 H new ATOM 0 HB2 TRP C 257 11.495 6.197 2.999 1.00 61.22 H new ATOM 0 HB3 TRP C 257 12.938 5.912 3.951 1.00 61.22 H new ATOM 0 HD1 TRP C 257 14.081 3.541 3.765 1.00 34.20 H new ATOM 0 HE1 TRP C 257 13.773 1.560 2.151 1.00 64.21 H new ATOM 0 HE3 TRP C 257 9.560 4.858 1.796 1.00 50.43 H new ATOM 0 HZ2 TRP C 257 11.824 0.708 0.289 1.00 63.33 H new ATOM 0 HZ3 TRP C 257 8.545 3.414 0.091 1.00 55.31 H new ATOM 0 HH2 TRP C 257 9.665 1.366 -0.640 1.00 43.44 H new ATOM 2660 N ILE C 258 9.250 3.940 5.094 1.00 72.44 N ATOM 2661 CA ILE C 258 7.857 3.532 4.987 1.00 63.11 C ATOM 2662 C ILE C 258 7.008 4.390 5.928 1.00 3.02 C ATOM 2663 O ILE C 258 5.953 4.872 5.537 1.00 55.22 O ATOM 2664 CB ILE C 258 7.662 2.028 5.317 1.00 23.41 C ATOM 2665 CG1 ILE C 258 8.425 1.146 4.319 1.00 60.12 C ATOM 2666 CG2 ILE C 258 6.185 1.660 5.319 1.00 22.13 C ATOM 2667 CD1 ILE C 258 7.923 1.249 2.896 1.00 63.35 C ATOM 0 H ILE C 258 9.868 3.226 5.480 1.00 72.44 H new ATOM 0 HA ILE C 258 7.540 3.679 3.955 1.00 63.11 H new ATOM 0 HB ILE C 258 8.064 1.851 6.314 1.00 23.41 H new ATOM 0 HG12 ILE C 258 9.480 1.419 4.342 1.00 60.12 H new ATOM 0 HG13 ILE C 258 8.358 0.107 4.643 1.00 60.12 H new ATOM 0 HG21 ILE C 258 6.074 0.601 5.553 1.00 22.13 H new ATOM 0 HG22 ILE C 258 5.663 2.254 6.069 1.00 22.13 H new ATOM 0 HG23 ILE C 258 5.759 1.861 4.336 1.00 22.13 H new ATOM 0 HD11 ILE C 258 8.514 0.596 2.254 1.00 63.35 H new ATOM 0 HD12 ILE C 258 6.877 0.947 2.857 1.00 63.35 H new ATOM 0 HD13 ILE C 258 8.016 2.279 2.551 1.00 63.35 H new ATOM 2679 N GLN C 259 7.504 4.585 7.165 1.00 52.42 N ATOM 2680 CA GLN C 259 6.854 5.454 8.170 1.00 12.31 C ATOM 2681 C GLN C 259 6.558 6.815 7.546 1.00 74.23 C ATOM 2682 O GLN C 259 5.423 7.280 7.555 1.00 0.35 O ATOM 2683 CB GLN C 259 7.813 5.659 9.360 1.00 52.21 C ATOM 2684 CG GLN C 259 8.219 4.382 10.076 1.00 70.20 C ATOM 2685 CD GLN C 259 7.102 3.764 10.878 1.00 3.51 C ATOM 2686 OE1 GLN C 259 6.304 2.933 10.254 1.00 63.24 O flip ATOM 2687 NE2 GLN C 259 6.956 4.055 12.064 1.00 31.31 N flip ATOM 0 H GLN C 259 8.363 4.147 7.497 1.00 52.42 H new ATOM 0 HA GLN C 259 5.929 4.988 8.508 1.00 12.31 H new ATOM 0 HB2 GLN C 259 8.712 6.160 9.002 1.00 52.21 H new ATOM 0 HB3 GLN C 259 7.340 6.328 10.079 1.00 52.21 H new ATOM 0 HG2 GLN C 259 8.572 3.659 9.341 1.00 70.20 H new ATOM 0 HG3 GLN C 259 9.057 4.597 10.739 1.00 70.20 H new ATOM 0 HE21 GLN C 259 7.600 4.707 12.512 1.00 31.31 H new ATOM 0 HE22 GLN C 259 6.191 3.645 12.599 1.00 31.31 H new ATOM 2696 N GLU C 260 7.594 7.398 6.946 1.00 21.04 N ATOM 2697 CA GLU C 260 7.516 8.686 6.274 1.00 73.24 C ATOM 2698 C GLU C 260 6.446 8.639 5.162 1.00 55.24 C ATOM 2699 O GLU C 260 5.574 9.509 5.064 1.00 40.22 O ATOM 2700 CB GLU C 260 8.857 8.973 5.583 1.00 2.41 C ATOM 2701 CG GLU C 260 10.129 8.953 6.444 1.00 54.15 C ATOM 2702 CD GLU C 260 10.229 10.069 7.460 1.00 25.20 C ATOM 2703 OE1 GLU C 260 10.007 11.249 7.081 1.00 12.12 O ATOM 2704 OE2 GLU C 260 10.636 9.806 8.595 1.00 71.10 O ATOM 0 H GLU C 260 8.524 6.979 6.915 1.00 21.04 H new ATOM 0 HA GLU C 260 7.272 9.448 7.014 1.00 73.24 H new ATOM 0 HB2 GLU C 260 8.984 8.244 4.783 1.00 2.41 H new ATOM 0 HB3 GLU C 260 8.787 9.954 5.112 1.00 2.41 H new ATOM 0 HG2 GLU C 260 10.180 7.999 6.968 1.00 54.15 H new ATOM 0 HG3 GLU C 260 10.996 9.002 5.786 1.00 54.15 H new ATOM 2711 N TYR C 261 6.531 7.602 4.340 1.00 11.12 N ATOM 2712 CA TYR C 261 5.700 7.461 3.161 1.00 64.13 C ATOM 2713 C TYR C 261 4.221 7.287 3.531 1.00 13.13 C ATOM 2714 O TYR C 261 3.348 7.902 2.918 1.00 21.11 O ATOM 2715 CB TYR C 261 6.205 6.290 2.310 1.00 32.11 C ATOM 2716 CG TYR C 261 5.588 6.193 0.934 1.00 42.02 C ATOM 2717 CD1 TYR C 261 6.117 6.921 -0.127 1.00 41.53 C ATOM 2718 CD2 TYR C 261 4.497 5.377 0.686 1.00 61.21 C ATOM 2719 CE1 TYR C 261 5.576 6.837 -1.390 1.00 74.34 C ATOM 2720 CE2 TYR C 261 3.949 5.289 -0.577 1.00 71.21 C ATOM 2721 CZ TYR C 261 4.493 6.021 -1.612 1.00 13.33 C ATOM 2722 OH TYR C 261 3.950 5.935 -2.871 1.00 3.12 O ATOM 0 H TYR C 261 7.185 6.831 4.477 1.00 11.12 H new ATOM 0 HA TYR C 261 5.772 8.377 2.574 1.00 64.13 H new ATOM 0 HB2 TYR C 261 7.286 6.377 2.202 1.00 32.11 H new ATOM 0 HB3 TYR C 261 6.012 5.360 2.846 1.00 32.11 H new ATOM 0 HD1 TYR C 261 6.968 7.564 0.043 1.00 41.53 H new ATOM 0 HD2 TYR C 261 4.069 4.801 1.493 1.00 61.21 H new ATOM 0 HE1 TYR C 261 6.000 7.409 -2.202 1.00 74.34 H new ATOM 0 HE2 TYR C 261 3.097 4.649 -0.755 1.00 71.21 H new ATOM 0 HH TYR C 261 3.560 5.045 -2.999 1.00 3.12 H new ATOM 2732 N LEU C 262 3.945 6.466 4.533 1.00 71.42 N ATOM 2733 CA LEU C 262 2.572 6.245 4.974 1.00 13.20 C ATOM 2734 C LEU C 262 2.008 7.523 5.553 1.00 11.51 C ATOM 2735 O LEU C 262 0.922 7.962 5.168 1.00 43.31 O ATOM 2736 CB LEU C 262 2.486 5.123 6.012 1.00 52.44 C ATOM 2737 CG LEU C 262 2.988 3.751 5.567 1.00 33.21 C ATOM 2738 CD1 LEU C 262 2.854 2.738 6.696 1.00 74.23 C ATOM 2739 CD2 LEU C 262 2.253 3.267 4.327 1.00 11.12 C ATOM 0 H LEU C 262 4.648 5.943 5.055 1.00 71.42 H new ATOM 0 HA LEU C 262 1.986 5.943 4.106 1.00 13.20 H new ATOM 0 HB2 LEU C 262 3.054 5.426 6.892 1.00 52.44 H new ATOM 0 HB3 LEU C 262 1.446 5.023 6.322 1.00 52.44 H new ATOM 0 HG LEU C 262 4.043 3.851 5.312 1.00 33.21 H new ATOM 0 HD11 LEU C 262 3.217 1.767 6.359 1.00 74.23 H new ATOM 0 HD12 LEU C 262 3.442 3.068 7.552 1.00 74.23 H new ATOM 0 HD13 LEU C 262 1.807 2.653 6.986 1.00 74.23 H new ATOM 0 HD21 LEU C 262 2.634 2.288 4.037 1.00 11.12 H new ATOM 0 HD22 LEU C 262 1.187 3.192 4.542 1.00 11.12 H new ATOM 0 HD23 LEU C 262 2.410 3.974 3.512 1.00 11.12 H new ATOM 2751 N GLU C 263 2.762 8.132 6.458 1.00 15.32 N ATOM 2752 CA GLU C 263 2.358 9.395 7.062 1.00 1.05 C ATOM 2753 C GLU C 263 2.006 10.498 6.046 1.00 72.12 C ATOM 2754 O GLU C 263 0.951 11.135 6.149 1.00 55.14 O ATOM 2755 CB GLU C 263 3.386 9.902 8.056 1.00 40.05 C ATOM 2756 CG GLU C 263 3.497 9.070 9.308 1.00 24.43 C ATOM 2757 CD GLU C 263 3.986 9.885 10.467 1.00 50.10 C ATOM 2758 OE1 GLU C 263 5.093 10.432 10.414 1.00 63.45 O ATOM 2759 OE2 GLU C 263 3.205 10.069 11.425 1.00 61.23 O ATOM 0 H GLU C 263 3.657 7.772 6.790 1.00 15.32 H new ATOM 0 HA GLU C 263 1.436 9.162 7.594 1.00 1.05 H new ATOM 0 HB2 GLU C 263 4.360 9.936 7.568 1.00 40.05 H new ATOM 0 HB3 GLU C 263 3.132 10.925 8.334 1.00 40.05 H new ATOM 0 HG2 GLU C 263 2.524 8.641 9.548 1.00 24.43 H new ATOM 0 HG3 GLU C 263 4.179 8.238 9.134 1.00 24.43 H new ATOM 2766 N LYS C 264 2.847 10.706 5.054 1.00 71.12 N ATOM 2767 CA LYS C 264 2.597 11.770 4.068 1.00 45.45 C ATOM 2768 C LYS C 264 1.423 11.440 3.157 1.00 64.32 C ATOM 2769 O LYS C 264 0.861 12.309 2.493 1.00 41.55 O ATOM 2770 CB LYS C 264 3.874 12.079 3.263 1.00 34.22 C ATOM 2771 CG LYS C 264 4.454 10.936 2.394 1.00 62.51 C ATOM 2772 CD LYS C 264 3.669 10.643 1.109 1.00 30.33 C ATOM 2773 CE LYS C 264 3.574 11.858 0.195 1.00 40.21 C ATOM 2774 NZ LYS C 264 4.894 12.364 -0.246 1.00 25.41 N ATOM 0 H LYS C 264 3.700 10.169 4.899 1.00 71.12 H new ATOM 0 HA LYS C 264 2.320 12.670 4.617 1.00 45.45 H new ATOM 0 HB2 LYS C 264 3.666 12.927 2.611 1.00 34.22 H new ATOM 0 HB3 LYS C 264 4.647 12.397 3.963 1.00 34.22 H new ATOM 0 HG2 LYS C 264 5.481 11.187 2.127 1.00 62.51 H new ATOM 0 HG3 LYS C 264 4.494 10.027 2.994 1.00 62.51 H new ATOM 0 HD2 LYS C 264 4.149 9.825 0.572 1.00 30.33 H new ATOM 0 HD3 LYS C 264 2.665 10.308 1.369 1.00 30.33 H new ATOM 0 HE2 LYS C 264 2.981 11.599 -0.682 1.00 40.21 H new ATOM 0 HE3 LYS C 264 3.043 12.655 0.715 1.00 40.21 H new ATOM 0 HZ1 LYS C 264 4.759 13.147 -0.917 1.00 25.41 H new ATOM 0 HZ2 LYS C 264 5.429 12.704 0.579 1.00 25.41 H new ATOM 0 HZ3 LYS C 264 5.422 11.598 -0.710 1.00 25.41 H new ATOM 2788 N CYS C 265 1.072 10.194 3.144 1.00 45.12 N ATOM 2789 CA CYS C 265 -0.012 9.699 2.286 1.00 24.21 C ATOM 2790 C CYS C 265 -1.350 9.825 3.013 1.00 62.22 C ATOM 2791 O CYS C 265 -2.404 9.935 2.395 1.00 5.22 O ATOM 2792 CB CYS C 265 0.261 8.242 1.852 1.00 30.34 C ATOM 2793 SG CYS C 265 -0.949 7.547 0.665 1.00 40.11 S ATOM 0 H CYS C 265 1.513 9.475 3.718 1.00 45.12 H new ATOM 0 HA CYS C 265 -0.058 10.307 1.382 1.00 24.21 H new ATOM 0 HB2 CYS C 265 1.254 8.192 1.406 1.00 30.34 H new ATOM 0 HB3 CYS C 265 0.278 7.611 2.741 1.00 30.34 H new ATOM 2798 N LEU C 266 -1.272 9.857 4.340 1.00 45.53 N ATOM 2799 CA LEU C 266 -2.424 10.013 5.208 1.00 12.23 C ATOM 2800 C LEU C 266 -2.814 11.525 5.184 1.00 44.02 C ATOM 2801 O LEU C 266 -3.875 11.932 5.668 1.00 25.24 O ATOM 2802 CB LEU C 266 -1.955 9.557 6.627 1.00 50.33 C ATOM 2803 CG LEU C 266 -2.989 9.146 7.705 1.00 21.25 C ATOM 2804 CD1 LEU C 266 -3.913 10.248 8.115 1.00 50.45 C ATOM 2805 CD2 LEU C 266 -3.770 7.960 7.254 1.00 15.01 C ATOM 0 H LEU C 266 -0.390 9.774 4.846 1.00 45.53 H new ATOM 0 HA LEU C 266 -3.292 9.428 4.905 1.00 12.23 H new ATOM 0 HB2 LEU C 266 -1.283 8.710 6.487 1.00 50.33 H new ATOM 0 HB3 LEU C 266 -1.360 10.369 7.045 1.00 50.33 H new ATOM 0 HG LEU C 266 -2.408 8.894 8.592 1.00 21.25 H new ATOM 0 HD11 LEU C 266 -4.605 9.880 8.872 1.00 50.45 H new ATOM 0 HD12 LEU C 266 -3.333 11.075 8.525 1.00 50.45 H new ATOM 0 HD13 LEU C 266 -4.475 10.594 7.247 1.00 50.45 H new ATOM 0 HD21 LEU C 266 -4.491 7.685 8.024 1.00 15.01 H new ATOM 0 HD22 LEU C 266 -4.298 8.201 6.331 1.00 15.01 H new ATOM 0 HD23 LEU C 266 -3.093 7.124 7.077 1.00 15.01 H new ATOM 2817 N ASN C 267 -1.909 12.334 4.583 1.00 14.25 N ATOM 2818 CA ASN C 267 -2.042 13.803 4.439 1.00 22.35 C ATOM 2819 C ASN C 267 -1.911 14.435 5.838 1.00 75.34 C ATOM 2820 O ASN C 267 -2.370 15.547 6.109 1.00 63.43 O ATOM 2821 CB ASN C 267 -3.406 14.161 3.746 1.00 61.21 C ATOM 2822 CG ASN C 267 -3.529 15.604 3.175 1.00 12.31 C ATOM 2823 OD1 ASN C 267 -4.248 15.825 2.199 1.00 62.45 O ATOM 2824 ND2 ASN C 267 -2.852 16.571 3.743 1.00 50.43 N ATOM 0 H ASN C 267 -1.046 11.974 4.175 1.00 14.25 H new ATOM 0 HA ASN C 267 -1.256 14.204 3.799 1.00 22.35 H new ATOM 0 HB2 ASN C 267 -3.572 13.455 2.932 1.00 61.21 H new ATOM 0 HB3 ASN C 267 -4.208 14.009 4.469 1.00 61.21 H new ATOM 0 HD21 ASN C 267 -2.916 17.521 3.378 1.00 50.43 H new ATOM 0 HD22 ASN C 267 -2.261 16.374 4.550 1.00 50.43 H new ATOM 3120 N GLY D 319 14.067 -13.374 5.140 1.00 63.54 N ATOM 3121 CA GLY D 319 14.991 -12.273 4.926 1.00 33.20 C ATOM 3122 C GLY D 319 15.696 -12.284 3.593 1.00 4.44 C ATOM 3123 O GLY D 319 15.921 -13.349 2.999 1.00 14.22 O ATOM 0 HA2 GLY D 319 14.444 -11.335 5.023 1.00 33.20 H new ATOM 0 HA3 GLY D 319 15.741 -12.288 5.717 1.00 33.20 H new ATOM 3127 N ASP D 320 16.015 -11.101 3.095 1.00 60.33 N ATOM 3128 CA ASP D 320 16.781 -10.983 1.873 1.00 53.51 C ATOM 3129 C ASP D 320 17.707 -9.776 1.967 1.00 24.31 C ATOM 3130 O ASP D 320 18.924 -9.902 1.797 1.00 73.40 O ATOM 3131 CB ASP D 320 15.857 -10.868 0.683 1.00 34.03 C ATOM 3132 CG ASP D 320 16.575 -11.069 -0.647 1.00 73.03 C ATOM 3133 OD1 ASP D 320 16.774 -12.233 -1.062 1.00 35.34 O ATOM 3134 OD2 ASP D 320 16.920 -10.087 -1.319 1.00 21.35 O ATOM 0 H ASP D 320 15.754 -10.211 3.520 1.00 60.33 H new ATOM 0 HA ASP D 320 17.388 -11.878 1.738 1.00 53.51 H new ATOM 0 HB2 ASP D 320 15.060 -11.606 0.775 1.00 34.03 H new ATOM 0 HB3 ASP D 320 15.384 -9.886 0.690 1.00 34.03 H new ATOM 3163 N ASP D 322 18.753 -7.564 4.761 1.00 70.44 N ATOM 3164 CA ASP D 322 18.758 -7.385 6.228 1.00 33.51 C ATOM 3165 C ASP D 322 17.520 -8.027 6.844 1.00 63.45 C ATOM 3166 O ASP D 322 17.594 -9.105 7.425 1.00 5.22 O ATOM 3167 CB ASP D 322 18.881 -5.911 6.639 1.00 62.12 C ATOM 3168 CG ASP D 322 20.208 -5.277 6.262 1.00 44.03 C ATOM 3169 OD1 ASP D 322 20.330 -4.717 5.140 1.00 23.44 O ATOM 3170 OD2 ASP D 322 21.138 -5.308 7.089 1.00 41.45 O ATOM 0 HA ASP D 322 19.644 -7.889 6.615 1.00 33.51 H new ATOM 0 HB2 ASP D 322 18.074 -5.345 6.174 1.00 62.12 H new ATOM 0 HB3 ASP D 322 18.745 -5.832 7.718 1.00 62.12 H new ATOM 3175 N SER D 323 16.398 -7.348 6.712 1.00 61.04 N ATOM 3176 CA SER D 323 15.091 -7.876 7.030 1.00 63.02 C ATOM 3177 C SER D 323 14.735 -7.966 8.574 1.00 54.41 C ATOM 3178 O SER D 323 13.811 -8.685 8.964 1.00 71.12 O ATOM 3179 CB SER D 323 14.866 -9.193 6.204 1.00 62.03 C ATOM 3180 OG SER D 323 13.642 -9.832 6.491 1.00 22.50 O ATOM 0 H SER D 323 16.372 -6.387 6.371 1.00 61.04 H new ATOM 0 HA SER D 323 14.348 -7.143 6.716 1.00 63.02 H new ATOM 0 HB2 SER D 323 14.903 -8.957 5.141 1.00 62.03 H new ATOM 0 HB3 SER D 323 15.684 -9.884 6.406 1.00 62.03 H new ATOM 0 HG SER D 323 13.360 -9.605 7.402 1.00 22.50 H new ATOM 3186 N MET D 324 15.411 -7.182 9.430 1.00 61.35 N ATOM 3187 CA MET D 324 15.046 -7.140 10.878 1.00 24.14 C ATOM 3188 C MET D 324 15.131 -5.728 11.510 1.00 55.20 C ATOM 3189 O MET D 324 16.218 -5.282 11.907 1.00 60.22 O ATOM 3190 CB MET D 324 15.844 -8.146 11.737 1.00 12.14 C ATOM 3191 CG MET D 324 15.537 -9.604 11.468 1.00 24.53 C ATOM 3192 SD MET D 324 16.440 -10.722 12.556 1.00 2.54 S ATOM 3193 CE MET D 324 15.816 -12.302 11.983 1.00 3.11 C ATOM 0 H MET D 324 16.192 -6.581 9.167 1.00 61.35 H new ATOM 0 HA MET D 324 13.998 -7.438 10.885 1.00 24.14 H new ATOM 0 HB2 MET D 324 16.908 -7.978 11.571 1.00 12.14 H new ATOM 0 HB3 MET D 324 15.649 -7.937 12.789 1.00 12.14 H new ATOM 0 HG2 MET D 324 14.467 -9.773 11.588 1.00 24.53 H new ATOM 0 HG3 MET D 324 15.782 -9.837 10.432 1.00 24.53 H new ATOM 0 HE1 MET D 324 16.278 -13.105 12.557 1.00 3.11 H new ATOM 0 HE2 MET D 324 14.735 -12.336 12.116 1.00 3.11 H new ATOM 0 HE3 MET D 324 16.056 -12.427 10.927 1.00 3.11 H new ATOM 3203 N LYS D 325 13.993 -5.015 11.559 1.00 24.43 N ATOM 3204 CA LYS D 325 13.865 -3.721 12.249 1.00 13.34 C ATOM 3205 C LYS D 325 12.469 -3.539 12.848 1.00 32.51 C ATOM 3206 O LYS D 325 11.607 -4.419 12.733 1.00 12.12 O ATOM 3207 CB LYS D 325 14.143 -2.542 11.324 1.00 43.33 C ATOM 3208 CG LYS D 325 15.589 -2.367 10.908 1.00 12.25 C ATOM 3209 CD LYS D 325 15.745 -1.204 9.955 1.00 3.13 C ATOM 3210 CE LYS D 325 15.347 0.129 10.583 1.00 32.32 C ATOM 3211 NZ LYS D 325 16.197 0.493 11.746 1.00 75.43 N ATOM 0 H LYS D 325 13.128 -5.324 11.116 1.00 24.43 H new ATOM 0 HA LYS D 325 14.611 -3.737 13.043 1.00 13.34 H new ATOM 0 HB2 LYS D 325 13.536 -2.656 10.426 1.00 43.33 H new ATOM 0 HB3 LYS D 325 13.812 -1.629 11.818 1.00 43.33 H new ATOM 0 HG2 LYS D 325 16.207 -2.203 11.791 1.00 12.25 H new ATOM 0 HG3 LYS D 325 15.947 -3.281 10.433 1.00 12.25 H new ATOM 0 HD2 LYS D 325 16.781 -1.149 9.622 1.00 3.13 H new ATOM 0 HD3 LYS D 325 15.134 -1.381 9.070 1.00 3.13 H new ATOM 0 HE2 LYS D 325 15.413 0.914 9.830 1.00 32.32 H new ATOM 0 HE3 LYS D 325 14.306 0.079 10.901 1.00 32.32 H new ATOM 0 HZ1 LYS D 325 15.962 1.457 12.059 1.00 75.43 H new ATOM 0 HZ2 LYS D 325 16.026 -0.175 12.524 1.00 75.43 H new ATOM 0 HZ3 LYS D 325 17.199 0.453 11.470 1.00 75.43 H new ATOM 3225 N GLU D 326 12.272 -2.390 13.492 1.00 73.54 N ATOM 3226 CA GLU D 326 11.007 -1.992 14.088 1.00 31.10 C ATOM 3227 C GLU D 326 10.769 -0.479 13.789 1.00 71.23 C ATOM 3228 O GLU D 326 11.701 0.189 13.335 1.00 13.31 O ATOM 3229 CB GLU D 326 10.995 -2.326 15.604 1.00 33.42 C ATOM 3230 CG GLU D 326 11.069 -3.826 15.879 1.00 5.23 C ATOM 3231 CD GLU D 326 10.806 -4.183 17.306 1.00 13.51 C ATOM 3232 OE1 GLU D 326 11.733 -4.148 18.126 1.00 20.41 O ATOM 3233 OE2 GLU D 326 9.649 -4.531 17.633 1.00 53.20 O ATOM 0 H GLU D 326 13.009 -1.696 13.614 1.00 73.54 H new ATOM 0 HA GLU D 326 10.180 -2.552 13.651 1.00 31.10 H new ATOM 0 HB2 GLU D 326 11.837 -1.830 16.087 1.00 33.42 H new ATOM 0 HB3 GLU D 326 10.087 -1.923 16.053 1.00 33.42 H new ATOM 0 HG2 GLU D 326 10.347 -4.340 15.245 1.00 5.23 H new ATOM 0 HG3 GLU D 326 12.057 -4.191 15.597 1.00 5.23 H new ATOM 3240 N PRO D 327 9.529 0.074 14.013 1.00 14.32 N ATOM 3241 CA PRO D 327 9.172 1.475 13.656 1.00 52.32 C ATOM 3242 C PRO D 327 10.001 2.542 14.328 1.00 13.12 C ATOM 3243 O PRO D 327 10.610 2.326 15.382 1.00 73.40 O ATOM 3244 CB PRO D 327 7.727 1.610 14.154 1.00 40.40 C ATOM 3245 CG PRO D 327 7.603 0.542 15.162 1.00 74.24 C ATOM 3246 CD PRO D 327 8.370 -0.596 14.599 1.00 14.44 C ATOM 0 HA PRO D 327 9.333 1.629 12.589 1.00 52.32 H new ATOM 0 HB2 PRO D 327 7.543 2.593 14.588 1.00 40.40 H new ATOM 0 HB3 PRO D 327 7.010 1.480 13.343 1.00 40.40 H new ATOM 0 HG2 PRO D 327 8.008 0.856 16.124 1.00 74.24 H new ATOM 0 HG3 PRO D 327 6.560 0.273 15.328 1.00 74.24 H new ATOM 0 HD2 PRO D 327 8.659 -1.312 15.368 1.00 14.44 H new ATOM 0 HD3 PRO D 327 7.796 -1.144 13.852 1.00 14.44 H new