USER MOD reduce.3.24.130724 H: found=0, std=0, add=1127, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1128 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 63 LYS NZ :NH3+ 175:sc= 0.882 (180deg=0) USER MOD Set 1.2: A 125 TYR OH : rot 180:sc= 0.753 USER MOD Set 2.1: A 37 THR OG1 : rot -73:sc= 1.3 USER MOD Set 2.2: A 38 HIS :FLIP no HD1:sc= -0.036 F(o=-1.1,f=1.3) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot -78:sc= 0.31 USER MOD Single : A 39 THR OG1 : rot -50:sc= 1.28 USER MOD Single : A 42 LYS NZ :NH3+ -175:sc= 0.744 (180deg=0.701) USER MOD Single : A 45 ASN :FLIP amide:sc= -0.151 F(o=-1.1,f=-0.15) USER MOD Single : A 46 LYS NZ :NH3+ 162:sc= -0.0469 (180deg=-0.342) USER MOD Single : A 49 LYS NZ :NH3+ 162:sc= -0.0544 (180deg=-0.357) USER MOD Single : A 50 SER OG : rot -70:sc= 0.829 USER MOD Single : A 55 GLN : amide:sc= -0.552 K(o=-0.55,f=-1.7) USER MOD Single : A 58 HIS :FLIP no HD1:sc= -0.812 F(o=-3.2!,f=-0.81) USER MOD Single : A 67 SER OG : rot -166:sc= 0.834 USER MOD Single : A 69 SER OG : rot 180:sc= 0.206 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 81 TYR OH : rot 150:sc= 0 USER MOD Single : A 91 HIS : no HD1:sc= -0.221 X(o=-0.22,f=0.016) USER MOD Single : A 92 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 99 GLN : amide:sc= 0.309 X(o=0.31,f=0) USER MOD Single : A 104 THR OG1 : rot 36:sc= 0.234 USER MOD Single : A 113 GLN : amide:sc= -0.121 K(o=-0.12,f=-0.68) USER MOD Single : A 117 LYS NZ :NH3+ -152:sc= -4.73! (180deg=-5.15!) USER MOD Single : A 123 MET CE :methyl 162:sc= -0.132 (180deg=-0.597) USER MOD Single : A 126 LYS NZ :NH3+ 140:sc= -1.69! (180deg=-4.01!) USER MOD Single : A 128 MET CE :methyl -168:sc= -0.0551 (180deg=-0.342) USER MOD Single : A 129 GLN : amide:sc= -1.71 X(o=-1.7,f=-1.8) USER MOD Single : A 130 LYS NZ :NH3+ 162:sc= -0.0566 (180deg=-0.314) USER MOD Single : A 134 GLN :FLIP amide:sc= -0.324 F(o=-4.8!,f=-0.32) USER MOD Single : A 135 GLN : amide:sc= -0.14 X(o=-0.14,f=-0.55) USER MOD Single : A 139 GLN : amide:sc= -0.342 K(o=-0.34,f=-3.2!) USER MOD Single : A 141 SER OG : rot -15:sc= 0.823 USER MOD Single : A 144 THR OG1 : rot -33:sc= 0.688 USER MOD ----------------------------------------------------------------- ATOM 136 N VAL A 9 -4.514 17.708 -3.077 1.00 32.14 N ATOM 137 CA VAL A 9 -5.906 17.344 -2.783 1.00 64.41 C ATOM 138 C VAL A 9 -6.164 17.366 -1.263 1.00 22.42 C ATOM 139 O VAL A 9 -7.260 17.697 -0.804 1.00 72.02 O ATOM 140 CB VAL A 9 -6.263 15.947 -3.360 1.00 21.34 C ATOM 141 CG1 VAL A 9 -5.379 14.853 -2.756 1.00 74.12 C ATOM 142 CG2 VAL A 9 -7.744 15.632 -3.154 1.00 55.30 C ATOM 0 HA VAL A 9 -6.546 18.084 -3.264 1.00 64.41 H new ATOM 0 HB VAL A 9 -6.070 15.972 -4.433 1.00 21.34 H new ATOM 0 HG11 VAL A 9 -5.654 13.887 -3.180 1.00 74.12 H new ATOM 0 HG12 VAL A 9 -4.334 15.064 -2.982 1.00 74.12 H new ATOM 0 HG13 VAL A 9 -5.519 14.827 -1.675 1.00 74.12 H new ATOM 0 HG21 VAL A 9 -7.968 14.648 -3.567 1.00 55.30 H new ATOM 0 HG22 VAL A 9 -7.973 15.639 -2.088 1.00 55.30 H new ATOM 0 HG23 VAL A 9 -8.350 16.384 -3.660 1.00 55.30 H new ATOM 152 N SER A 10 -5.129 17.027 -0.494 1.00 42.14 N ATOM 153 CA SER A 10 -5.174 17.077 0.976 1.00 50.21 C ATOM 154 C SER A 10 -3.883 17.708 1.521 1.00 61.30 C ATOM 155 O SER A 10 -2.959 18.008 0.757 1.00 22.12 O ATOM 156 CB SER A 10 -5.355 15.666 1.568 1.00 54.15 C ATOM 157 OG SER A 10 -6.559 15.055 1.119 1.00 14.53 O ATOM 0 H SER A 10 -4.235 16.710 -0.868 1.00 42.14 H new ATOM 0 HA SER A 10 -6.027 17.688 1.271 1.00 50.21 H new ATOM 0 HB2 SER A 10 -4.505 15.043 1.289 1.00 54.15 H new ATOM 0 HB3 SER A 10 -5.362 15.727 2.656 1.00 54.15 H new ATOM 0 HG SER A 10 -6.639 14.161 1.513 1.00 14.53 H new ATOM 163 N GLU A 11 -3.804 17.919 2.833 1.00 14.04 N ATOM 164 CA GLU A 11 -2.591 18.495 3.434 1.00 73.02 C ATOM 165 C GLU A 11 -2.390 18.044 4.887 1.00 60.21 C ATOM 166 O GLU A 11 -3.224 17.341 5.459 1.00 14.33 O ATOM 167 CB GLU A 11 -2.629 20.029 3.358 1.00 23.13 C ATOM 168 CG GLU A 11 -3.706 20.675 4.224 1.00 23.44 C ATOM 169 CD GLU A 11 -3.749 22.187 4.067 1.00 35.50 C ATOM 170 OE1 GLU A 11 -2.834 22.874 4.574 1.00 0.23 O ATOM 171 OE2 GLU A 11 -4.698 22.694 3.430 1.00 11.04 O ATOM 0 H GLU A 11 -4.549 17.706 3.496 1.00 14.04 H new ATOM 0 HA GLU A 11 -1.743 18.126 2.857 1.00 73.02 H new ATOM 0 HB2 GLU A 11 -1.656 20.420 3.657 1.00 23.13 H new ATOM 0 HB3 GLU A 11 -2.787 20.326 2.321 1.00 23.13 H new ATOM 0 HG2 GLU A 11 -4.678 20.258 3.961 1.00 23.44 H new ATOM 0 HG3 GLU A 11 -3.525 20.426 5.270 1.00 23.44 H new ATOM 178 N LEU A 12 -1.273 18.471 5.476 1.00 71.54 N ATOM 179 CA LEU A 12 -0.878 18.057 6.827 1.00 15.02 C ATOM 180 C LEU A 12 0.043 19.108 7.491 1.00 75.53 C ATOM 181 O LEU A 12 0.741 19.858 6.801 1.00 64.43 O ATOM 182 CB LEU A 12 -0.208 16.660 6.776 1.00 73.21 C ATOM 183 CG LEU A 12 0.477 16.287 5.443 1.00 22.11 C ATOM 184 CD1 LEU A 12 1.680 17.184 5.163 1.00 24.25 C ATOM 185 CD2 LEU A 12 0.883 14.814 5.434 1.00 55.43 C ATOM 0 H LEU A 12 -0.616 19.113 5.033 1.00 71.54 H new ATOM 0 HA LEU A 12 -1.773 17.986 7.446 1.00 15.02 H new ATOM 0 HB2 LEU A 12 0.535 16.606 7.571 1.00 73.21 H new ATOM 0 HB3 LEU A 12 -0.965 15.907 6.996 1.00 73.21 H new ATOM 0 HG LEU A 12 -0.247 16.447 4.644 1.00 22.11 H new ATOM 0 HD11 LEU A 12 2.138 16.894 4.217 1.00 24.25 H new ATOM 0 HD12 LEU A 12 1.354 18.222 5.105 1.00 24.25 H new ATOM 0 HD13 LEU A 12 2.408 17.077 5.967 1.00 24.25 H new ATOM 0 HD21 LEU A 12 1.363 14.575 4.485 1.00 55.43 H new ATOM 0 HD22 LEU A 12 1.579 14.623 6.251 1.00 55.43 H new ATOM 0 HD23 LEU A 12 -0.003 14.192 5.559 1.00 55.43 H new ATOM 197 N PRO A 13 0.060 19.174 8.841 1.00 53.24 N ATOM 198 CA PRO A 13 0.790 20.227 9.590 1.00 44.44 C ATOM 199 C PRO A 13 2.323 20.032 9.643 1.00 24.13 C ATOM 200 O PRO A 13 2.971 20.421 10.618 1.00 62.42 O ATOM 201 CB PRO A 13 0.184 20.109 10.996 1.00 12.34 C ATOM 202 CG PRO A 13 -0.186 18.672 11.124 1.00 14.22 C ATOM 203 CD PRO A 13 -0.637 18.238 9.753 1.00 73.52 C ATOM 0 HA PRO A 13 0.678 21.201 9.115 1.00 44.44 H new ATOM 0 HB2 PRO A 13 0.900 20.404 11.763 1.00 12.34 H new ATOM 0 HB3 PRO A 13 -0.687 20.755 11.108 1.00 12.34 H new ATOM 0 HG2 PRO A 13 0.664 18.079 11.462 1.00 14.22 H new ATOM 0 HG3 PRO A 13 -0.981 18.537 11.858 1.00 14.22 H new ATOM 0 HD2 PRO A 13 -0.363 17.203 9.550 1.00 73.52 H new ATOM 0 HD3 PRO A 13 -1.720 18.307 9.647 1.00 73.52 H new ATOM 211 N PHE A 14 2.906 19.458 8.591 1.00 43.11 N ATOM 212 CA PHE A 14 4.363 19.271 8.515 1.00 72.05 C ATOM 213 C PHE A 14 4.840 19.149 7.057 1.00 22.12 C ATOM 214 O PHE A 14 4.206 18.481 6.242 1.00 63.25 O ATOM 215 CB PHE A 14 4.804 18.048 9.341 1.00 4.20 C ATOM 216 CG PHE A 14 4.012 16.785 9.084 1.00 14.43 C ATOM 217 CD1 PHE A 14 4.371 15.910 8.067 1.00 52.14 C ATOM 218 CD2 PHE A 14 2.911 16.470 9.871 1.00 73.23 C ATOM 219 CE1 PHE A 14 3.647 14.754 7.842 1.00 51.11 C ATOM 220 CE2 PHE A 14 2.187 15.314 9.649 1.00 5.40 C ATOM 221 CZ PHE A 14 2.555 14.456 8.634 1.00 5.24 C ATOM 0 H PHE A 14 2.396 19.113 7.778 1.00 43.11 H new ATOM 0 HA PHE A 14 4.831 20.158 8.942 1.00 72.05 H new ATOM 0 HB2 PHE A 14 5.855 17.848 9.134 1.00 4.20 H new ATOM 0 HB3 PHE A 14 4.729 18.297 10.400 1.00 4.20 H new ATOM 0 HD1 PHE A 14 5.225 16.135 7.445 1.00 52.14 H new ATOM 0 HD2 PHE A 14 2.617 17.138 10.667 1.00 73.23 H new ATOM 0 HE1 PHE A 14 3.935 14.083 7.046 1.00 51.11 H new ATOM 0 HE2 PHE A 14 1.334 15.083 10.270 1.00 5.40 H new ATOM 0 HZ PHE A 14 1.990 13.552 8.458 1.00 5.24 H new ATOM 231 N GLU A 15 5.957 19.806 6.731 1.00 3.01 N ATOM 232 CA GLU A 15 6.459 19.833 5.348 1.00 52.30 C ATOM 233 C GLU A 15 7.699 18.944 5.137 1.00 23.31 C ATOM 234 O GLU A 15 8.229 18.879 4.032 1.00 71.10 O ATOM 235 CB GLU A 15 6.794 21.270 4.925 1.00 34.33 C ATOM 236 CG GLU A 15 7.940 21.899 5.714 1.00 24.24 C ATOM 237 CD GLU A 15 8.383 23.233 5.133 1.00 0.31 C ATOM 238 OE1 GLU A 15 7.806 24.272 5.505 1.00 41.05 O ATOM 239 OE2 GLU A 15 9.304 23.242 4.284 1.00 3.54 O ATOM 0 H GLU A 15 6.529 20.324 7.398 1.00 3.01 H new ATOM 0 HA GLU A 15 5.657 19.432 4.728 1.00 52.30 H new ATOM 0 HB2 GLU A 15 7.050 21.275 3.866 1.00 34.33 H new ATOM 0 HB3 GLU A 15 5.904 21.889 5.041 1.00 34.33 H new ATOM 0 HG2 GLU A 15 7.629 22.042 6.749 1.00 24.24 H new ATOM 0 HG3 GLU A 15 8.787 21.213 5.728 1.00 24.24 H new ATOM 246 N ARG A 16 8.174 18.269 6.180 1.00 63.02 N ATOM 247 CA ARG A 16 9.363 17.408 6.057 1.00 21.14 C ATOM 248 C ARG A 16 9.110 16.024 6.673 1.00 1.45 C ATOM 249 O ARG A 16 8.706 15.918 7.829 1.00 53.14 O ATOM 250 CB ARG A 16 10.579 18.068 6.736 1.00 15.43 C ATOM 251 CG ARG A 16 10.881 19.481 6.236 1.00 55.21 C ATOM 252 CD ARG A 16 11.259 19.508 4.756 1.00 53.40 C ATOM 253 NE ARG A 16 11.100 20.842 4.178 1.00 22.42 N ATOM 254 CZ ARG A 16 11.922 21.393 3.330 1.00 51.55 C ATOM 255 NH1 ARG A 16 13.021 20.802 2.977 1.00 32.13 N ATOM 256 NH2 ARG A 16 11.640 22.555 2.845 1.00 15.34 N ATOM 0 H ARG A 16 7.764 18.296 7.114 1.00 63.02 H new ATOM 0 HA ARG A 16 9.573 17.280 4.995 1.00 21.14 H new ATOM 0 HB2 ARG A 16 10.406 18.104 7.812 1.00 15.43 H new ATOM 0 HB3 ARG A 16 11.456 17.442 6.575 1.00 15.43 H new ATOM 0 HG2 ARG A 16 10.009 20.114 6.397 1.00 55.21 H new ATOM 0 HG3 ARG A 16 11.695 19.905 6.824 1.00 55.21 H new ATOM 0 HD2 ARG A 16 12.293 19.182 4.639 1.00 53.40 H new ATOM 0 HD3 ARG A 16 10.638 18.799 4.209 1.00 53.40 H new ATOM 0 HE ARG A 16 10.283 21.383 4.460 1.00 22.42 H new ATOM 0 HH11 ARG A 16 13.256 19.888 3.365 1.00 32.13 H new ATOM 0 HH12 ARG A 16 13.650 21.251 2.312 1.00 32.13 H new ATOM 0 HH21 ARG A 16 10.783 23.031 3.126 1.00 15.34 H new ATOM 0 HH22 ARG A 16 12.274 22.998 2.180 1.00 15.34 H new ATOM 270 N VAL A 17 9.345 14.965 5.903 1.00 63.34 N ATOM 271 CA VAL A 17 9.154 13.592 6.395 1.00 35.55 C ATOM 272 C VAL A 17 10.345 12.687 6.045 1.00 32.43 C ATOM 273 O VAL A 17 11.144 13.001 5.160 1.00 22.13 O ATOM 274 CB VAL A 17 7.852 12.957 5.841 1.00 73.53 C ATOM 275 CG1 VAL A 17 6.621 13.674 6.395 1.00 53.44 C ATOM 276 CG2 VAL A 17 7.844 12.973 4.314 1.00 23.33 C ATOM 0 H VAL A 17 9.667 15.025 4.937 1.00 63.34 H new ATOM 0 HA VAL A 17 9.077 13.669 7.480 1.00 35.55 H new ATOM 0 HB VAL A 17 7.818 11.918 6.169 1.00 73.53 H new ATOM 0 HG11 VAL A 17 5.719 13.212 5.993 1.00 53.44 H new ATOM 0 HG12 VAL A 17 6.614 13.598 7.482 1.00 53.44 H new ATOM 0 HG13 VAL A 17 6.651 14.724 6.105 1.00 53.44 H new ATOM 0 HG21 VAL A 17 6.921 12.522 3.950 1.00 23.33 H new ATOM 0 HG22 VAL A 17 7.909 14.002 3.961 1.00 23.33 H new ATOM 0 HG23 VAL A 17 8.696 12.406 3.940 1.00 23.33 H new ATOM 286 N TYR A 18 10.452 11.568 6.754 1.00 44.53 N ATOM 287 CA TYR A 18 11.532 10.601 6.534 1.00 45.03 C ATOM 288 C TYR A 18 11.013 9.160 6.674 1.00 40.43 C ATOM 289 O TYR A 18 10.512 8.776 7.730 1.00 63.22 O ATOM 290 CB TYR A 18 12.670 10.851 7.539 1.00 72.11 C ATOM 291 CG TYR A 18 13.805 9.842 7.455 1.00 20.32 C ATOM 292 CD1 TYR A 18 14.822 9.983 6.515 1.00 14.25 C ATOM 293 CD2 TYR A 18 13.862 8.752 8.322 1.00 45.04 C ATOM 294 CE1 TYR A 18 15.853 9.067 6.438 1.00 22.04 C ATOM 295 CE2 TYR A 18 14.893 7.834 8.248 1.00 25.02 C ATOM 296 CZ TYR A 18 15.887 7.999 7.308 1.00 22.51 C ATOM 297 OH TYR A 18 16.913 7.087 7.233 1.00 61.31 O ATOM 0 H TYR A 18 9.800 11.303 7.493 1.00 44.53 H new ATOM 0 HA TYR A 18 11.911 10.731 5.520 1.00 45.03 H new ATOM 0 HB2 TYR A 18 13.073 11.850 7.374 1.00 72.11 H new ATOM 0 HB3 TYR A 18 12.259 10.836 8.548 1.00 72.11 H new ATOM 0 HD1 TYR A 18 14.805 10.822 5.835 1.00 14.25 H new ATOM 0 HD2 TYR A 18 13.088 8.622 9.064 1.00 45.04 H new ATOM 0 HE1 TYR A 18 16.630 9.188 5.698 1.00 22.04 H new ATOM 0 HE2 TYR A 18 14.919 6.992 8.924 1.00 25.02 H new ATOM 0 HH TYR A 18 16.788 6.397 7.917 1.00 61.31 H new ATOM 307 N ILE A 19 11.125 8.368 5.610 1.00 61.33 N ATOM 308 CA ILE A 19 10.688 6.967 5.641 1.00 55.31 C ATOM 309 C ILE A 19 11.847 6.014 5.983 1.00 65.43 C ATOM 310 O ILE A 19 13.013 6.295 5.692 1.00 10.41 O ATOM 311 CB ILE A 19 10.077 6.537 4.283 1.00 50.03 C ATOM 312 CG1 ILE A 19 9.403 5.158 4.400 1.00 70.51 C ATOM 313 CG2 ILE A 19 11.152 6.525 3.190 1.00 31.14 C ATOM 314 CD1 ILE A 19 8.701 4.704 3.138 1.00 75.23 C ATOM 0 H ILE A 19 11.513 8.668 4.716 1.00 61.33 H new ATOM 0 HA ILE A 19 9.929 6.900 6.421 1.00 55.31 H new ATOM 0 HB ILE A 19 9.314 7.264 4.005 1.00 50.03 H new ATOM 0 HG12 ILE A 19 10.157 4.419 4.669 1.00 70.51 H new ATOM 0 HG13 ILE A 19 8.680 5.187 5.215 1.00 70.51 H new ATOM 0 HG21 ILE A 19 10.705 6.221 2.243 1.00 31.14 H new ATOM 0 HG22 ILE A 19 11.577 7.523 3.086 1.00 31.14 H new ATOM 0 HG23 ILE A 19 11.940 5.822 3.462 1.00 31.14 H new ATOM 0 HD11 ILE A 19 8.253 3.724 3.303 1.00 75.23 H new ATOM 0 HD12 ILE A 19 7.922 5.420 2.877 1.00 75.23 H new ATOM 0 HD13 ILE A 19 9.422 4.640 2.323 1.00 75.23 H new ATOM 326 N THR A 20 11.517 4.883 6.604 1.00 10.30 N ATOM 327 CA THR A 20 12.502 3.827 6.870 1.00 4.53 C ATOM 328 C THR A 20 11.888 2.431 6.680 1.00 23.33 C ATOM 329 O THR A 20 11.236 1.884 7.571 1.00 3.22 O ATOM 330 CB THR A 20 13.128 3.953 8.285 1.00 44.32 C ATOM 331 OG1 THR A 20 13.977 2.826 8.555 1.00 64.32 O ATOM 332 CG2 THR A 20 12.057 4.076 9.369 1.00 4.05 C ATOM 0 H THR A 20 10.575 4.671 6.934 1.00 10.30 H new ATOM 0 HA THR A 20 13.303 3.957 6.142 1.00 4.53 H new ATOM 0 HB THR A 20 13.724 4.865 8.302 1.00 44.32 H new ATOM 0 HG1 THR A 20 14.367 2.917 9.449 1.00 64.32 H new ATOM 0 HG21 THR A 20 12.535 4.162 10.345 1.00 4.05 H new ATOM 0 HG22 THR A 20 11.451 4.962 9.183 1.00 4.05 H new ATOM 0 HG23 THR A 20 11.420 3.191 9.354 1.00 4.05 H new ATOM 340 N ALA A 21 12.072 1.873 5.482 1.00 31.43 N ATOM 341 CA ALA A 21 11.570 0.533 5.161 1.00 22.14 C ATOM 342 C ALA A 21 12.667 -0.527 5.361 1.00 42.21 C ATOM 343 O ALA A 21 13.779 -0.380 4.849 1.00 42.33 O ATOM 344 CB ALA A 21 11.049 0.492 3.725 1.00 63.42 C ATOM 0 H ALA A 21 12.566 2.329 4.715 1.00 31.43 H new ATOM 0 HA ALA A 21 10.749 0.305 5.840 1.00 22.14 H new ATOM 0 HB1 ALA A 21 10.680 -0.509 3.500 1.00 63.42 H new ATOM 0 HB2 ALA A 21 10.239 1.212 3.611 1.00 63.42 H new ATOM 0 HB3 ALA A 21 11.857 0.743 3.038 1.00 63.42 H new ATOM 350 N PRO A 22 12.372 -1.619 6.100 1.00 22.44 N ATOM 351 CA PRO A 22 13.358 -2.684 6.374 1.00 5.50 C ATOM 352 C PRO A 22 13.768 -3.475 5.116 1.00 3.24 C ATOM 353 O PRO A 22 14.745 -4.227 5.133 1.00 52.44 O ATOM 354 CB PRO A 22 12.627 -3.598 7.372 1.00 53.44 C ATOM 355 CG PRO A 22 11.179 -3.360 7.107 1.00 0.31 C ATOM 356 CD PRO A 22 11.066 -1.907 6.726 1.00 35.42 C ATOM 0 HA PRO A 22 14.294 -2.272 6.751 1.00 5.50 H new ATOM 0 HB2 PRO A 22 12.892 -4.644 7.219 1.00 53.44 H new ATOM 0 HB3 PRO A 22 12.888 -3.351 8.401 1.00 53.44 H new ATOM 0 HG2 PRO A 22 10.817 -4.004 6.305 1.00 0.31 H new ATOM 0 HG3 PRO A 22 10.578 -3.581 7.989 1.00 0.31 H new ATOM 0 HD2 PRO A 22 10.241 -1.735 6.034 1.00 35.42 H new ATOM 0 HD3 PRO A 22 10.889 -1.275 7.596 1.00 35.42 H new ATOM 364 N ALA A 23 13.021 -3.290 4.029 1.00 40.12 N ATOM 365 CA ALA A 23 13.292 -3.984 2.766 1.00 60.33 C ATOM 366 C ALA A 23 13.003 -3.078 1.558 1.00 54.33 C ATOM 367 O ALA A 23 12.372 -2.028 1.698 1.00 61.22 O ATOM 368 CB ALA A 23 12.454 -5.258 2.684 1.00 1.04 C ATOM 0 H ALA A 23 12.218 -2.662 3.995 1.00 40.12 H new ATOM 0 HA ALA A 23 14.350 -4.246 2.741 1.00 60.33 H new ATOM 0 HB1 ALA A 23 12.660 -5.769 1.743 1.00 1.04 H new ATOM 0 HB2 ALA A 23 12.707 -5.914 3.517 1.00 1.04 H new ATOM 0 HB3 ALA A 23 11.396 -5.001 2.733 1.00 1.04 H new ATOM 374 N GLY A 24 13.466 -3.490 0.377 1.00 63.32 N ATOM 375 CA GLY A 24 13.221 -2.721 -0.843 1.00 10.12 C ATOM 376 C GLY A 24 11.779 -2.835 -1.331 1.00 5.43 C ATOM 377 O GLY A 24 11.507 -3.428 -2.379 1.00 74.24 O ATOM 0 H GLY A 24 14.008 -4.343 0.240 1.00 63.32 H new ATOM 0 HA2 GLY A 24 13.457 -1.673 -0.660 1.00 10.12 H new ATOM 0 HA3 GLY A 24 13.894 -3.067 -1.627 1.00 10.12 H new ATOM 381 N LEU A 25 10.860 -2.254 -0.572 1.00 35.33 N ATOM 382 CA LEU A 25 9.427 -2.345 -0.858 1.00 64.42 C ATOM 383 C LEU A 25 8.945 -1.161 -1.712 1.00 13.14 C ATOM 384 O LEU A 25 9.062 -0.002 -1.306 1.00 51.43 O ATOM 385 CB LEU A 25 8.657 -2.395 0.467 1.00 12.45 C ATOM 386 CG LEU A 25 9.068 -3.538 1.412 1.00 0.14 C ATOM 387 CD1 LEU A 25 8.429 -3.366 2.785 1.00 23.13 C ATOM 388 CD2 LEU A 25 8.705 -4.894 0.810 1.00 42.01 C ATOM 0 H LEU A 25 11.082 -1.706 0.259 1.00 35.33 H new ATOM 0 HA LEU A 25 9.242 -3.254 -1.431 1.00 64.42 H new ATOM 0 HB2 LEU A 25 8.794 -1.447 0.986 1.00 12.45 H new ATOM 0 HB3 LEU A 25 7.593 -2.488 0.249 1.00 12.45 H new ATOM 0 HG LEU A 25 10.150 -3.500 1.538 1.00 0.14 H new ATOM 0 HD11 LEU A 25 8.735 -4.186 3.434 1.00 23.13 H new ATOM 0 HD12 LEU A 25 8.751 -2.420 3.220 1.00 23.13 H new ATOM 0 HD13 LEU A 25 7.344 -3.369 2.684 1.00 23.13 H new ATOM 0 HD21 LEU A 25 9.004 -5.688 1.494 1.00 42.01 H new ATOM 0 HD22 LEU A 25 7.628 -4.943 0.646 1.00 42.01 H new ATOM 0 HD23 LEU A 25 9.223 -5.020 -0.141 1.00 42.01 H new ATOM 400 N THR A 26 8.390 -1.460 -2.888 1.00 50.35 N ATOM 401 CA THR A 26 7.893 -0.421 -3.806 1.00 54.11 C ATOM 402 C THR A 26 6.837 0.467 -3.136 1.00 33.25 C ATOM 403 O THR A 26 6.729 1.655 -3.442 1.00 63.20 O ATOM 404 CB THR A 26 7.282 -1.031 -5.090 1.00 44.34 C ATOM 405 OG1 THR A 26 6.190 -1.895 -4.749 1.00 53.22 O ATOM 406 CG2 THR A 26 8.329 -1.813 -5.876 1.00 61.24 C ATOM 0 H THR A 26 8.271 -2.413 -3.232 1.00 50.35 H new ATOM 0 HA THR A 26 8.759 0.184 -4.073 1.00 54.11 H new ATOM 0 HB THR A 26 6.920 -0.215 -5.715 1.00 44.34 H new ATOM 0 HG1 THR A 26 5.807 -2.276 -5.566 1.00 53.22 H new ATOM 0 HG21 THR A 26 7.873 -2.231 -6.773 1.00 61.24 H new ATOM 0 HG22 THR A 26 9.144 -1.147 -6.160 1.00 61.24 H new ATOM 0 HG23 THR A 26 8.720 -2.621 -5.258 1.00 61.24 H new ATOM 414 N ILE A 27 6.067 -0.119 -2.214 1.00 25.32 N ATOM 415 CA ILE A 27 5.055 0.625 -1.452 1.00 73.24 C ATOM 416 C ILE A 27 5.650 1.896 -0.813 1.00 64.45 C ATOM 417 O ILE A 27 5.009 2.947 -0.786 1.00 3.31 O ATOM 418 CB ILE A 27 4.422 -0.259 -0.341 1.00 71.12 C ATOM 419 CG1 ILE A 27 3.269 0.488 0.357 1.00 64.45 C ATOM 420 CG2 ILE A 27 5.478 -0.704 0.676 1.00 34.13 C ATOM 421 CD1 ILE A 27 2.562 -0.330 1.421 1.00 62.03 C ATOM 0 H ILE A 27 6.124 -1.109 -1.976 1.00 25.32 H new ATOM 0 HA ILE A 27 4.280 0.916 -2.161 1.00 73.24 H new ATOM 0 HB ILE A 27 4.014 -1.153 -0.812 1.00 71.12 H new ATOM 0 HG12 ILE A 27 3.661 1.397 0.813 1.00 64.45 H new ATOM 0 HG13 ILE A 27 2.541 0.796 -0.394 1.00 64.45 H new ATOM 0 HG21 ILE A 27 5.008 -1.321 1.442 1.00 34.13 H new ATOM 0 HG22 ILE A 27 6.251 -1.281 0.169 1.00 34.13 H new ATOM 0 HG23 ILE A 27 5.927 0.173 1.142 1.00 34.13 H new ATOM 0 HD11 ILE A 27 1.764 0.264 1.866 1.00 62.03 H new ATOM 0 HD12 ILE A 27 2.138 -1.227 0.969 1.00 62.03 H new ATOM 0 HD13 ILE A 27 3.275 -0.616 2.194 1.00 62.03 H new ATOM 433 N GLY A 28 6.888 1.792 -0.330 1.00 50.23 N ATOM 434 CA GLY A 28 7.550 2.926 0.305 1.00 65.11 C ATOM 435 C GLY A 28 8.038 3.962 -0.699 1.00 55.23 C ATOM 436 O GLY A 28 7.789 5.156 -0.543 1.00 74.43 O ATOM 0 H GLY A 28 7.447 0.940 -0.367 1.00 50.23 H new ATOM 0 HA2 GLY A 28 6.860 3.400 1.003 1.00 65.11 H new ATOM 0 HA3 GLY A 28 8.397 2.566 0.889 1.00 65.11 H new ATOM 440 N SER A 29 8.726 3.504 -1.742 1.00 65.45 N ATOM 441 CA SER A 29 9.266 4.406 -2.769 1.00 25.24 C ATOM 442 C SER A 29 8.148 5.190 -3.478 1.00 44.02 C ATOM 443 O SER A 29 8.306 6.373 -3.786 1.00 42.45 O ATOM 444 CB SER A 29 10.097 3.615 -3.792 1.00 5.15 C ATOM 445 OG SER A 29 11.217 2.989 -3.170 1.00 62.30 O ATOM 0 H SER A 29 8.925 2.517 -1.903 1.00 65.45 H new ATOM 0 HA SER A 29 9.912 5.128 -2.270 1.00 25.24 H new ATOM 0 HB2 SER A 29 9.471 2.859 -4.267 1.00 5.15 H new ATOM 0 HB3 SER A 29 10.442 4.284 -4.580 1.00 5.15 H new ATOM 0 HG SER A 29 11.728 2.491 -3.842 1.00 62.30 H new ATOM 451 N ASP A 30 7.018 4.530 -3.735 1.00 63.45 N ATOM 452 CA ASP A 30 5.840 5.204 -4.294 1.00 53.02 C ATOM 453 C ASP A 30 5.138 6.088 -3.251 1.00 41.23 C ATOM 454 O ASP A 30 4.557 7.118 -3.600 1.00 14.04 O ATOM 455 CB ASP A 30 4.856 4.184 -4.881 1.00 62.12 C ATOM 456 CG ASP A 30 5.239 3.756 -6.288 1.00 53.32 C ATOM 457 OD1 ASP A 30 6.157 2.926 -6.439 1.00 75.31 O ATOM 458 OD2 ASP A 30 4.625 4.266 -7.254 1.00 21.45 O ATOM 0 H ASP A 30 6.891 3.532 -3.566 1.00 63.45 H new ATOM 0 HA ASP A 30 6.190 5.854 -5.096 1.00 53.02 H new ATOM 0 HB2 ASP A 30 4.817 3.307 -4.235 1.00 62.12 H new ATOM 0 HB3 ASP A 30 3.855 4.615 -4.895 1.00 62.12 H new ATOM 463 N LEU A 31 5.194 5.694 -1.979 1.00 72.41 N ATOM 464 CA LEU A 31 4.638 6.515 -0.898 1.00 54.33 C ATOM 465 C LEU A 31 5.254 7.919 -0.921 1.00 31.11 C ATOM 466 O LEU A 31 4.541 8.921 -0.956 1.00 43.41 O ATOM 467 CB LEU A 31 4.882 5.848 0.467 1.00 24.12 C ATOM 468 CG LEU A 31 4.359 6.624 1.693 1.00 52.33 C ATOM 469 CD1 LEU A 31 2.841 6.790 1.632 1.00 73.21 C ATOM 470 CD2 LEU A 31 4.775 5.933 2.991 1.00 70.34 C ATOM 0 H LEU A 31 5.615 4.818 -1.671 1.00 72.41 H new ATOM 0 HA LEU A 31 3.563 6.604 -1.053 1.00 54.33 H new ATOM 0 HB2 LEU A 31 4.416 4.863 0.458 1.00 24.12 H new ATOM 0 HB3 LEU A 31 5.954 5.693 0.588 1.00 24.12 H new ATOM 0 HG LEU A 31 4.807 7.617 1.676 1.00 52.33 H new ATOM 0 HD11 LEU A 31 2.500 7.341 2.509 1.00 73.21 H new ATOM 0 HD12 LEU A 31 2.571 7.340 0.730 1.00 73.21 H new ATOM 0 HD13 LEU A 31 2.368 5.808 1.613 1.00 73.21 H new ATOM 0 HD21 LEU A 31 4.395 6.498 3.842 1.00 70.34 H new ATOM 0 HD22 LEU A 31 4.365 4.923 3.013 1.00 70.34 H new ATOM 0 HD23 LEU A 31 5.863 5.884 3.045 1.00 70.34 H new ATOM 482 N GLU A 32 6.583 7.972 -0.941 1.00 52.35 N ATOM 483 CA GLU A 32 7.325 9.239 -0.981 1.00 70.41 C ATOM 484 C GLU A 32 6.891 10.115 -2.165 1.00 62.22 C ATOM 485 O GLU A 32 6.845 11.350 -2.065 1.00 53.11 O ATOM 486 CB GLU A 32 8.829 8.951 -1.061 1.00 23.42 C ATOM 487 CG GLU A 32 9.311 7.938 -0.027 1.00 13.52 C ATOM 488 CD GLU A 32 8.955 8.328 1.399 1.00 61.21 C ATOM 489 OE1 GLU A 32 7.853 7.974 1.863 1.00 33.21 O ATOM 490 OE2 GLU A 32 9.789 8.979 2.054 1.00 20.31 O ATOM 0 H GLU A 32 7.179 7.144 -0.930 1.00 52.35 H new ATOM 0 HA GLU A 32 7.103 9.790 -0.067 1.00 70.41 H new ATOM 0 HB2 GLU A 32 9.067 8.582 -2.058 1.00 23.42 H new ATOM 0 HB3 GLU A 32 9.377 9.884 -0.927 1.00 23.42 H new ATOM 0 HG2 GLU A 32 8.876 6.964 -0.251 1.00 13.52 H new ATOM 0 HG3 GLU A 32 10.393 7.830 -0.109 1.00 13.52 H new ATOM 497 N ARG A 33 6.591 9.472 -3.292 1.00 52.41 N ATOM 498 CA ARG A 33 6.045 10.169 -4.459 1.00 33.31 C ATOM 499 C ARG A 33 4.686 10.790 -4.115 1.00 70.04 C ATOM 500 O ARG A 33 4.477 11.992 -4.268 1.00 65.33 O ATOM 501 CB ARG A 33 5.866 9.201 -5.637 1.00 10.11 C ATOM 502 CG ARG A 33 7.142 8.496 -6.085 1.00 42.15 C ATOM 503 CD ARG A 33 6.850 7.494 -7.198 1.00 11.25 C ATOM 504 NE ARG A 33 8.037 6.743 -7.610 1.00 51.34 N ATOM 505 CZ ARG A 33 8.000 5.662 -8.346 1.00 1.34 C ATOM 506 NH1 ARG A 33 6.865 5.140 -8.692 1.00 43.34 N ATOM 507 NH2 ARG A 33 9.100 5.084 -8.703 1.00 64.54 N ATOM 0 H ARG A 33 6.716 8.468 -3.424 1.00 52.41 H new ATOM 0 HA ARG A 33 6.749 10.952 -4.742 1.00 33.31 H new ATOM 0 HB2 ARG A 33 5.129 8.447 -5.361 1.00 10.11 H new ATOM 0 HB3 ARG A 33 5.456 9.752 -6.483 1.00 10.11 H new ATOM 0 HG2 ARG A 33 7.865 9.233 -6.434 1.00 42.15 H new ATOM 0 HG3 ARG A 33 7.595 7.982 -5.237 1.00 42.15 H new ATOM 0 HD2 ARG A 33 6.083 6.797 -6.861 1.00 11.25 H new ATOM 0 HD3 ARG A 33 6.443 8.023 -8.060 1.00 11.25 H new ATOM 0 HE ARG A 33 8.949 7.083 -7.305 1.00 51.34 H new ATOM 0 HH11 ARG A 33 5.992 5.572 -8.390 1.00 43.34 H new ATOM 0 HH12 ARG A 33 6.845 4.297 -9.266 1.00 43.34 H new ATOM 0 HH21 ARG A 33 9.997 5.471 -8.411 1.00 64.54 H new ATOM 0 HH22 ARG A 33 9.070 4.241 -9.277 1.00 64.54 H new ATOM 521 N VAL A 34 3.774 9.951 -3.627 1.00 34.41 N ATOM 522 CA VAL A 34 2.412 10.375 -3.293 1.00 42.44 C ATOM 523 C VAL A 34 2.391 11.496 -2.240 1.00 13.41 C ATOM 524 O VAL A 34 1.609 12.442 -2.341 1.00 31.24 O ATOM 525 CB VAL A 34 1.570 9.173 -2.793 1.00 33.04 C ATOM 526 CG1 VAL A 34 0.175 9.619 -2.361 1.00 13.32 C ATOM 527 CG2 VAL A 34 1.480 8.096 -3.876 1.00 13.23 C ATOM 0 H VAL A 34 3.955 8.963 -3.452 1.00 34.41 H new ATOM 0 HA VAL A 34 1.973 10.770 -4.209 1.00 42.44 H new ATOM 0 HB VAL A 34 2.070 8.750 -1.922 1.00 33.04 H new ATOM 0 HG11 VAL A 34 -0.392 8.755 -2.015 1.00 13.32 H new ATOM 0 HG12 VAL A 34 0.259 10.345 -1.552 1.00 13.32 H new ATOM 0 HG13 VAL A 34 -0.339 10.076 -3.207 1.00 13.32 H new ATOM 0 HG21 VAL A 34 0.886 7.259 -3.509 1.00 13.23 H new ATOM 0 HG22 VAL A 34 1.008 8.513 -4.766 1.00 13.23 H new ATOM 0 HG23 VAL A 34 2.482 7.747 -4.126 1.00 13.23 H new ATOM 537 N ILE A 35 3.250 11.384 -1.234 1.00 51.01 N ATOM 538 CA ILE A 35 3.354 12.402 -0.184 1.00 52.33 C ATOM 539 C ILE A 35 3.675 13.787 -0.778 1.00 32.24 C ATOM 540 O ILE A 35 2.873 14.716 -0.676 1.00 4.33 O ATOM 541 CB ILE A 35 4.446 12.024 0.856 1.00 50.11 C ATOM 542 CG1 ILE A 35 4.120 10.683 1.536 1.00 51.41 C ATOM 543 CG2 ILE A 35 4.604 13.127 1.902 1.00 23.32 C ATOM 544 CD1 ILE A 35 2.846 10.696 2.357 1.00 30.33 C ATOM 0 H ILE A 35 3.889 10.597 -1.119 1.00 51.01 H new ATOM 0 HA ILE A 35 2.386 12.446 0.315 1.00 52.33 H new ATOM 0 HB ILE A 35 5.391 11.915 0.323 1.00 50.11 H new ATOM 0 HG12 ILE A 35 4.038 9.911 0.771 1.00 51.41 H new ATOM 0 HG13 ILE A 35 4.952 10.404 2.182 1.00 51.41 H new ATOM 0 HG21 ILE A 35 5.373 12.841 2.619 1.00 23.32 H new ATOM 0 HG22 ILE A 35 4.894 14.056 1.410 1.00 23.32 H new ATOM 0 HG23 ILE A 35 3.658 13.272 2.423 1.00 23.32 H new ATOM 0 HD11 ILE A 35 2.690 9.713 2.802 1.00 30.33 H new ATOM 0 HD12 ILE A 35 2.930 11.443 3.147 1.00 30.33 H new ATOM 0 HD13 ILE A 35 2.001 10.942 1.714 1.00 30.33 H new ATOM 556 N SER A 36 4.826 13.903 -1.436 1.00 64.42 N ATOM 557 CA SER A 36 5.308 15.201 -1.946 1.00 52.24 C ATOM 558 C SER A 36 4.444 15.760 -3.091 1.00 0.34 C ATOM 559 O SER A 36 4.421 16.972 -3.326 1.00 64.00 O ATOM 560 CB SER A 36 6.765 15.073 -2.414 1.00 21.12 C ATOM 561 OG SER A 36 6.899 14.097 -3.439 1.00 35.02 O ATOM 0 H SER A 36 5.448 13.119 -1.633 1.00 64.42 H new ATOM 0 HA SER A 36 5.236 15.907 -1.119 1.00 52.24 H new ATOM 0 HB2 SER A 36 7.117 16.037 -2.780 1.00 21.12 H new ATOM 0 HB3 SER A 36 7.398 14.803 -1.568 1.00 21.12 H new ATOM 0 HG SER A 36 6.888 13.201 -3.041 1.00 35.02 H new ATOM 567 N THR A 37 3.738 14.886 -3.808 1.00 52.31 N ATOM 568 CA THR A 37 2.914 15.317 -4.954 1.00 35.15 C ATOM 569 C THR A 37 1.439 15.554 -4.580 1.00 13.10 C ATOM 570 O THR A 37 0.728 16.279 -5.278 1.00 1.33 O ATOM 571 CB THR A 37 2.968 14.289 -6.111 1.00 72.04 C ATOM 572 OG1 THR A 37 2.443 13.023 -5.678 1.00 14.33 O ATOM 573 CG2 THR A 37 4.397 14.101 -6.612 1.00 14.33 C ATOM 0 H THR A 37 3.715 13.883 -3.624 1.00 52.31 H new ATOM 0 HA THR A 37 3.345 16.265 -5.276 1.00 35.15 H new ATOM 0 HB THR A 37 2.359 14.675 -6.928 1.00 72.04 H new ATOM 0 HG1 THR A 37 3.087 12.589 -5.080 1.00 14.33 H new ATOM 0 HG21 THR A 37 4.405 13.374 -7.424 1.00 14.33 H new ATOM 0 HG22 THR A 37 4.784 15.054 -6.974 1.00 14.33 H new ATOM 0 HG23 THR A 37 5.024 13.741 -5.796 1.00 14.33 H new ATOM 581 N HIS A 38 0.968 14.939 -3.492 1.00 42.51 N ATOM 582 CA HIS A 38 -0.442 15.086 -3.078 1.00 5.42 C ATOM 583 C HIS A 38 -0.611 15.924 -1.796 1.00 40.50 C ATOM 584 O HIS A 38 -1.706 16.418 -1.519 1.00 10.12 O ATOM 585 CB HIS A 38 -1.099 13.710 -2.897 1.00 53.03 C ATOM 586 CG HIS A 38 -1.189 12.910 -4.166 1.00 14.11 C ATOM 587 ND1 HIS A 38 -0.257 12.183 -4.828 1.00 21.51 N flip ATOM 588 CD2 HIS A 38 -2.352 12.779 -4.896 1.00 53.13 C flip ATOM 589 CE1 HIS A 38 -0.870 11.633 -5.925 1.00 42.12 C flip ATOM 590 NE2 HIS A 38 -2.130 12.006 -5.941 1.00 65.21 N flip ATOM 0 H HIS A 38 1.528 14.341 -2.885 1.00 42.51 H new ATOM 0 HA HIS A 38 -0.942 15.628 -3.881 1.00 5.42 H new ATOM 0 HB2 HIS A 38 -0.533 13.141 -2.159 1.00 53.03 H new ATOM 0 HB3 HIS A 38 -2.102 13.847 -2.493 1.00 53.03 H new ATOM 0 HD2 HIS A 38 -3.298 13.238 -4.650 1.00 53.13 H new ATOM 0 HE1 HIS A 38 -0.394 10.997 -6.657 1.00 42.12 H new ATOM 0 HE2 HIS A 38 -2.820 11.742 -6.644 1.00 65.21 H new ATOM 599 N THR A 39 0.460 16.073 -1.012 1.00 42.54 N ATOM 600 CA THR A 39 0.410 16.878 0.228 1.00 62.42 C ATOM 601 C THR A 39 1.540 17.919 0.270 1.00 1.51 C ATOM 602 O THR A 39 2.178 18.199 -0.742 1.00 30.15 O ATOM 603 CB THR A 39 0.498 16.010 1.513 1.00 43.03 C ATOM 604 OG1 THR A 39 1.814 15.465 1.667 1.00 23.34 O ATOM 605 CG2 THR A 39 -0.530 14.884 1.496 1.00 21.31 C ATOM 0 H THR A 39 1.369 15.653 -1.205 1.00 42.54 H new ATOM 0 HA THR A 39 -0.559 17.377 0.209 1.00 62.42 H new ATOM 0 HB THR A 39 0.280 16.660 2.361 1.00 43.03 H new ATOM 0 HG1 THR A 39 2.094 15.045 0.827 1.00 23.34 H new ATOM 0 HG21 THR A 39 -0.441 14.296 2.410 1.00 21.31 H new ATOM 0 HG22 THR A 39 -1.532 15.307 1.433 1.00 21.31 H new ATOM 0 HG23 THR A 39 -0.353 14.242 0.633 1.00 21.31 H new ATOM 613 N ARG A 40 1.770 18.498 1.449 1.00 14.54 N ATOM 614 CA ARG A 40 2.771 19.559 1.619 1.00 22.20 C ATOM 615 C ARG A 40 4.162 18.995 1.970 1.00 11.12 C ATOM 616 O ARG A 40 5.173 19.689 1.837 1.00 33.20 O ATOM 617 CB ARG A 40 2.311 20.516 2.731 1.00 63.42 C ATOM 618 CG ARG A 40 3.190 21.753 2.906 1.00 30.02 C ATOM 619 CD ARG A 40 3.076 22.706 1.718 1.00 61.01 C ATOM 620 NE ARG A 40 3.958 23.862 1.855 1.00 71.52 N ATOM 621 CZ ARG A 40 3.548 25.076 2.096 1.00 34.22 C ATOM 622 NH1 ARG A 40 2.288 25.330 2.258 1.00 35.34 N ATOM 623 NH2 ARG A 40 4.403 26.039 2.176 1.00 53.34 N ATOM 0 H ARG A 40 1.275 18.250 2.306 1.00 14.54 H new ATOM 0 HA ARG A 40 2.860 20.088 0.670 1.00 22.20 H new ATOM 0 HB2 ARG A 40 1.292 20.837 2.518 1.00 63.42 H new ATOM 0 HB3 ARG A 40 2.282 19.970 3.674 1.00 63.42 H new ATOM 0 HG2 ARG A 40 2.904 22.275 3.819 1.00 30.02 H new ATOM 0 HG3 ARG A 40 4.229 21.446 3.027 1.00 30.02 H new ATOM 0 HD2 ARG A 40 3.320 22.171 0.800 1.00 61.01 H new ATOM 0 HD3 ARG A 40 2.045 23.046 1.624 1.00 61.01 H new ATOM 0 HE ARG A 40 4.962 23.709 1.756 1.00 71.52 H new ATOM 0 HH11 ARG A 40 1.604 24.576 2.198 1.00 35.34 H new ATOM 0 HH12 ARG A 40 1.980 26.284 2.446 1.00 35.34 H new ATOM 0 HH21 ARG A 40 5.397 25.850 2.051 1.00 53.34 H new ATOM 0 HH22 ARG A 40 4.084 26.989 2.364 1.00 53.34 H new ATOM 637 N ALA A 41 4.208 17.741 2.411 1.00 35.43 N ATOM 638 CA ALA A 41 5.441 17.161 2.953 1.00 11.51 C ATOM 639 C ALA A 41 6.437 16.719 1.864 1.00 20.51 C ATOM 640 O ALA A 41 6.150 15.838 1.052 1.00 21.33 O ATOM 641 CB ALA A 41 5.106 15.991 3.869 1.00 11.40 C ATOM 0 H ALA A 41 3.410 17.106 2.405 1.00 35.43 H new ATOM 0 HA ALA A 41 5.936 17.949 3.521 1.00 11.51 H new ATOM 0 HB1 ALA A 41 6.027 15.566 4.268 1.00 11.40 H new ATOM 0 HB2 ALA A 41 4.482 16.340 4.692 1.00 11.40 H new ATOM 0 HB3 ALA A 41 4.569 15.229 3.304 1.00 11.40 H new ATOM 647 N LYS A 42 7.612 17.347 1.862 1.00 62.15 N ATOM 648 CA LYS A 42 8.731 16.936 1.008 1.00 51.35 C ATOM 649 C LYS A 42 9.661 15.989 1.788 1.00 72.33 C ATOM 650 O LYS A 42 10.015 16.258 2.939 1.00 23.03 O ATOM 651 CB LYS A 42 9.486 18.186 0.510 1.00 2.20 C ATOM 652 CG LYS A 42 10.624 17.913 -0.482 1.00 14.40 C ATOM 653 CD LYS A 42 11.952 17.617 0.216 1.00 42.23 C ATOM 654 CE LYS A 42 13.065 17.304 -0.782 1.00 41.52 C ATOM 655 NZ LYS A 42 12.799 16.052 -1.544 1.00 52.20 N ATOM 0 H LYS A 42 7.817 18.154 2.451 1.00 62.15 H new ATOM 0 HA LYS A 42 8.356 16.396 0.138 1.00 51.35 H new ATOM 0 HB2 LYS A 42 8.770 18.859 0.039 1.00 2.20 H new ATOM 0 HB3 LYS A 42 9.896 18.710 1.373 1.00 2.20 H new ATOM 0 HG2 LYS A 42 10.354 17.068 -1.116 1.00 14.40 H new ATOM 0 HG3 LYS A 42 10.746 18.776 -1.136 1.00 14.40 H new ATOM 0 HD2 LYS A 42 12.241 18.474 0.824 1.00 42.23 H new ATOM 0 HD3 LYS A 42 11.825 16.773 0.894 1.00 42.23 H new ATOM 0 HE2 LYS A 42 13.171 18.136 -1.478 1.00 41.52 H new ATOM 0 HE3 LYS A 42 14.012 17.210 -0.250 1.00 41.52 H new ATOM 0 HZ1 LYS A 42 13.617 15.832 -2.147 1.00 52.20 H new ATOM 0 HZ2 LYS A 42 12.639 15.268 -0.879 1.00 52.20 H new ATOM 0 HZ3 LYS A 42 11.955 16.180 -2.138 1.00 52.20 H new ATOM 669 N VAL A 43 10.056 14.880 1.164 1.00 73.02 N ATOM 670 CA VAL A 43 10.853 13.852 1.847 1.00 74.24 C ATOM 671 C VAL A 43 12.353 14.196 1.888 1.00 21.44 C ATOM 672 O VAL A 43 12.938 14.621 0.888 1.00 21.44 O ATOM 673 CB VAL A 43 10.681 12.464 1.183 1.00 53.43 C ATOM 674 CG1 VAL A 43 11.451 11.398 1.958 1.00 5.51 C ATOM 675 CG2 VAL A 43 9.203 12.105 1.061 1.00 42.31 C ATOM 0 H VAL A 43 9.840 14.667 0.190 1.00 73.02 H new ATOM 0 HA VAL A 43 10.475 13.821 2.869 1.00 74.24 H new ATOM 0 HB VAL A 43 11.096 12.508 0.176 1.00 53.43 H new ATOM 0 HG11 VAL A 43 11.317 10.430 1.476 1.00 5.51 H new ATOM 0 HG12 VAL A 43 12.511 11.653 1.973 1.00 5.51 H new ATOM 0 HG13 VAL A 43 11.076 11.349 2.980 1.00 5.51 H new ATOM 0 HG21 VAL A 43 9.104 11.126 0.592 1.00 42.31 H new ATOM 0 HG22 VAL A 43 8.752 12.079 2.053 1.00 42.31 H new ATOM 0 HG23 VAL A 43 8.696 12.853 0.451 1.00 42.31 H new ATOM 685 N VAL A 44 12.962 14.000 3.059 1.00 43.50 N ATOM 686 CA VAL A 44 14.406 14.190 3.245 1.00 60.42 C ATOM 687 C VAL A 44 15.133 12.836 3.347 1.00 23.14 C ATOM 688 O VAL A 44 14.528 11.818 3.686 1.00 22.42 O ATOM 689 CB VAL A 44 14.705 15.027 4.516 1.00 15.22 C ATOM 690 CG1 VAL A 44 14.117 16.435 4.392 1.00 72.41 C ATOM 691 CG2 VAL A 44 14.171 14.324 5.765 1.00 64.14 C ATOM 0 H VAL A 44 12.472 13.706 3.904 1.00 43.50 H new ATOM 0 HA VAL A 44 14.773 14.729 2.372 1.00 60.42 H new ATOM 0 HB VAL A 44 15.787 15.120 4.614 1.00 15.22 H new ATOM 0 HG11 VAL A 44 14.340 17.003 5.295 1.00 72.41 H new ATOM 0 HG12 VAL A 44 14.555 16.938 3.530 1.00 72.41 H new ATOM 0 HG13 VAL A 44 13.037 16.368 4.262 1.00 72.41 H new ATOM 0 HG21 VAL A 44 14.391 14.928 6.645 1.00 64.14 H new ATOM 0 HG22 VAL A 44 13.093 14.193 5.676 1.00 64.14 H new ATOM 0 HG23 VAL A 44 14.648 13.349 5.866 1.00 64.14 H new ATOM 701 N ASN A 45 16.434 12.829 3.064 1.00 12.01 N ATOM 702 CA ASN A 45 17.221 11.587 3.087 1.00 14.44 C ATOM 703 C ASN A 45 17.846 11.328 4.477 1.00 52.45 C ATOM 704 O ASN A 45 18.545 10.330 4.679 1.00 4.44 O ATOM 705 CB ASN A 45 18.315 11.653 2.011 1.00 4.44 C ATOM 706 CG ASN A 45 19.000 10.317 1.771 1.00 32.11 C ATOM 707 OD1 ASN A 45 18.252 9.233 1.855 1.00 53.50 O flip ATOM 708 ND2 ASN A 45 20.194 10.262 1.489 1.00 20.22 N flip ATOM 0 H ASN A 45 16.968 13.662 2.817 1.00 12.01 H new ATOM 0 HA ASN A 45 16.549 10.755 2.876 1.00 14.44 H new ATOM 0 HB2 ASN A 45 17.876 12.002 1.076 1.00 4.44 H new ATOM 0 HB3 ASN A 45 19.062 12.389 2.307 1.00 4.44 H new ATOM 0 HD21 ASN A 45 20.745 11.119 1.432 1.00 20.22 H new ATOM 0 HD22 ASN A 45 20.635 9.360 1.312 1.00 20.22 H new ATOM 715 N LYS A 46 17.576 12.215 5.436 1.00 63.13 N ATOM 716 CA LYS A 46 18.143 12.097 6.789 1.00 31.04 C ATOM 717 C LYS A 46 17.144 12.560 7.869 1.00 14.51 C ATOM 718 O LYS A 46 16.535 13.625 7.756 1.00 23.32 O ATOM 719 CB LYS A 46 19.467 12.880 6.903 1.00 4.14 C ATOM 720 CG LYS A 46 19.365 14.388 6.649 1.00 14.50 C ATOM 721 CD LYS A 46 19.038 14.718 5.193 1.00 30.20 C ATOM 722 CE LYS A 46 19.181 16.208 4.901 1.00 3.24 C ATOM 723 NZ LYS A 46 20.588 16.674 5.046 1.00 71.03 N ATOM 0 H LYS A 46 16.969 13.024 5.305 1.00 63.13 H new ATOM 0 HA LYS A 46 18.351 11.041 6.962 1.00 31.04 H new ATOM 0 HB2 LYS A 46 19.876 12.724 7.901 1.00 4.14 H new ATOM 0 HB3 LYS A 46 20.181 12.457 6.196 1.00 4.14 H new ATOM 0 HG2 LYS A 46 18.595 14.810 7.295 1.00 14.50 H new ATOM 0 HG3 LYS A 46 20.307 14.863 6.923 1.00 14.50 H new ATOM 0 HD2 LYS A 46 19.700 14.154 4.536 1.00 30.20 H new ATOM 0 HD3 LYS A 46 18.020 14.400 4.969 1.00 30.20 H new ATOM 0 HE2 LYS A 46 18.834 16.414 3.888 1.00 3.24 H new ATOM 0 HE3 LYS A 46 18.541 16.773 5.578 1.00 3.24 H new ATOM 0 HZ1 LYS A 46 20.704 17.585 4.558 1.00 71.03 H new ATOM 0 HZ2 LYS A 46 20.813 16.790 6.055 1.00 71.03 H new ATOM 0 HZ3 LYS A 46 21.231 15.973 4.626 1.00 71.03 H new ATOM 737 N ALA A 47 17.006 11.751 8.921 1.00 61.24 N ATOM 738 CA ALA A 47 16.015 11.989 9.982 1.00 14.43 C ATOM 739 C ALA A 47 16.293 13.267 10.793 1.00 52.50 C ATOM 740 O ALA A 47 15.365 13.885 11.319 1.00 2.33 O ATOM 741 CB ALA A 47 15.957 10.780 10.911 1.00 63.40 C ATOM 0 H ALA A 47 17.573 10.915 9.065 1.00 61.24 H new ATOM 0 HA ALA A 47 15.052 12.135 9.493 1.00 14.43 H new ATOM 0 HB1 ALA A 47 15.222 10.959 11.696 1.00 63.40 H new ATOM 0 HB2 ALA A 47 15.671 9.896 10.341 1.00 63.40 H new ATOM 0 HB3 ALA A 47 16.937 10.620 11.361 1.00 63.40 H new ATOM 747 N GLU A 48 17.566 13.662 10.888 1.00 42.24 N ATOM 748 CA GLU A 48 17.962 14.840 11.683 1.00 52.03 C ATOM 749 C GLU A 48 17.164 16.103 11.304 1.00 52.25 C ATOM 750 O GLU A 48 17.024 17.025 12.112 1.00 32.51 O ATOM 751 CB GLU A 48 19.463 15.117 11.527 1.00 11.51 C ATOM 752 CG GLU A 48 19.877 15.492 10.108 1.00 71.33 C ATOM 753 CD GLU A 48 21.296 16.029 10.036 1.00 45.00 C ATOM 754 OE1 GLU A 48 21.509 17.196 10.424 1.00 32.31 O ATOM 755 OE2 GLU A 48 22.201 15.296 9.591 1.00 21.25 O ATOM 0 H GLU A 48 18.343 13.188 10.427 1.00 42.24 H new ATOM 0 HA GLU A 48 17.737 14.604 12.723 1.00 52.03 H new ATOM 0 HB2 GLU A 48 19.746 15.924 12.203 1.00 11.51 H new ATOM 0 HB3 GLU A 48 20.020 14.232 11.836 1.00 11.51 H new ATOM 0 HG2 GLU A 48 19.791 14.616 9.465 1.00 71.33 H new ATOM 0 HG3 GLU A 48 19.188 16.242 9.719 1.00 71.33 H new ATOM 762 N LYS A 49 16.661 16.152 10.073 1.00 71.51 N ATOM 763 CA LYS A 49 15.814 17.264 9.635 1.00 44.14 C ATOM 764 C LYS A 49 14.500 16.731 9.046 1.00 54.42 C ATOM 765 O LYS A 49 14.247 16.829 7.845 1.00 43.23 O ATOM 766 CB LYS A 49 16.560 18.162 8.622 1.00 41.22 C ATOM 767 CG LYS A 49 16.364 19.677 8.828 1.00 33.20 C ATOM 768 CD LYS A 49 15.027 20.217 8.288 1.00 20.10 C ATOM 769 CE LYS A 49 13.828 19.879 9.178 1.00 43.52 C ATOM 770 NZ LYS A 49 13.980 20.400 10.565 1.00 31.12 N ATOM 0 H LYS A 49 16.823 15.439 9.362 1.00 71.51 H new ATOM 0 HA LYS A 49 15.574 17.879 10.502 1.00 44.14 H new ATOM 0 HB2 LYS A 49 17.625 17.938 8.676 1.00 41.22 H new ATOM 0 HB3 LYS A 49 16.230 17.901 7.616 1.00 41.22 H new ATOM 0 HG2 LYS A 49 16.430 19.900 9.893 1.00 33.20 H new ATOM 0 HG3 LYS A 49 17.182 20.208 8.340 1.00 33.20 H new ATOM 0 HD2 LYS A 49 15.097 21.300 8.183 1.00 20.10 H new ATOM 0 HD3 LYS A 49 14.856 19.810 7.291 1.00 20.10 H new ATOM 0 HE2 LYS A 49 12.923 20.294 8.735 1.00 43.52 H new ATOM 0 HE3 LYS A 49 13.699 18.797 9.212 1.00 43.52 H new ATOM 0 HZ1 LYS A 49 13.051 20.422 11.032 1.00 31.12 H new ATOM 0 HZ2 LYS A 49 14.622 19.781 11.100 1.00 31.12 H new ATOM 0 HZ3 LYS A 49 14.374 21.362 10.533 1.00 31.12 H new ATOM 784 N SER A 50 13.673 16.161 9.911 1.00 34.20 N ATOM 785 CA SER A 50 12.336 15.691 9.531 1.00 44.15 C ATOM 786 C SER A 50 11.310 16.104 10.589 1.00 3.31 C ATOM 787 O SER A 50 11.674 16.491 11.698 1.00 41.11 O ATOM 788 CB SER A 50 12.322 14.162 9.366 1.00 71.24 C ATOM 789 OG SER A 50 12.605 13.506 10.593 1.00 32.15 O ATOM 0 H SER A 50 13.903 16.009 10.893 1.00 34.20 H new ATOM 0 HA SER A 50 12.074 16.148 8.577 1.00 44.15 H new ATOM 0 HB2 SER A 50 11.347 13.843 8.998 1.00 71.24 H new ATOM 0 HB3 SER A 50 13.057 13.869 8.617 1.00 71.24 H new ATOM 0 HG SER A 50 13.547 13.642 10.827 1.00 32.15 H new ATOM 795 N GLU A 51 10.032 16.048 10.242 1.00 52.35 N ATOM 796 CA GLU A 51 8.963 16.355 11.198 1.00 15.51 C ATOM 797 C GLU A 51 8.270 15.062 11.660 1.00 4.31 C ATOM 798 O GLU A 51 7.864 14.935 12.816 1.00 63.20 O ATOM 799 CB GLU A 51 7.941 17.313 10.568 1.00 22.13 C ATOM 800 CG GLU A 51 8.560 18.514 9.840 1.00 4.32 C ATOM 801 CD GLU A 51 9.491 19.352 10.710 1.00 50.23 C ATOM 802 OE1 GLU A 51 8.996 20.086 11.586 1.00 55.34 O ATOM 803 OE2 GLU A 51 10.724 19.289 10.512 1.00 52.23 O ATOM 0 H GLU A 51 9.705 15.794 9.310 1.00 52.35 H new ATOM 0 HA GLU A 51 9.405 16.842 12.067 1.00 15.51 H new ATOM 0 HB2 GLU A 51 7.325 16.755 9.863 1.00 22.13 H new ATOM 0 HB3 GLU A 51 7.277 17.681 11.350 1.00 22.13 H new ATOM 0 HG2 GLU A 51 9.115 18.154 8.973 1.00 4.32 H new ATOM 0 HG3 GLU A 51 7.759 19.151 9.464 1.00 4.32 H new ATOM 810 N ALA A 52 8.152 14.101 10.743 1.00 52.13 N ATOM 811 CA ALA A 52 7.562 12.794 11.048 1.00 52.33 C ATOM 812 C ALA A 52 8.309 11.662 10.321 1.00 44.11 C ATOM 813 O ALA A 52 8.677 11.796 9.150 1.00 72.30 O ATOM 814 CB ALA A 52 6.082 12.784 10.675 1.00 43.43 C ATOM 0 H ALA A 52 8.459 14.203 9.776 1.00 52.13 H new ATOM 0 HA ALA A 52 7.657 12.621 12.120 1.00 52.33 H new ATOM 0 HB1 ALA A 52 5.655 11.808 10.906 1.00 43.43 H new ATOM 0 HB2 ALA A 52 5.558 13.553 11.243 1.00 43.43 H new ATOM 0 HB3 ALA A 52 5.974 12.984 9.609 1.00 43.43 H new ATOM 820 N ILE A 53 8.538 10.553 11.024 1.00 63.23 N ATOM 821 CA ILE A 53 9.223 9.385 10.453 1.00 20.12 C ATOM 822 C ILE A 53 8.251 8.213 10.236 1.00 23.20 C ATOM 823 O ILE A 53 7.625 7.724 11.176 1.00 15.52 O ATOM 824 CB ILE A 53 10.399 8.919 11.355 1.00 60.22 C ATOM 825 CG1 ILE A 53 11.473 10.019 11.445 1.00 75.03 C ATOM 826 CG2 ILE A 53 11.009 7.617 10.827 1.00 11.43 C ATOM 827 CD1 ILE A 53 12.685 9.632 12.271 1.00 63.54 C ATOM 0 H ILE A 53 8.258 10.435 11.998 1.00 63.23 H new ATOM 0 HA ILE A 53 9.621 9.697 9.487 1.00 20.12 H new ATOM 0 HB ILE A 53 10.008 8.730 12.355 1.00 60.22 H new ATOM 0 HG12 ILE A 53 11.800 10.277 10.438 1.00 75.03 H new ATOM 0 HG13 ILE A 53 11.025 10.916 11.874 1.00 75.03 H new ATOM 0 HG21 ILE A 53 11.830 7.311 11.475 1.00 11.43 H new ATOM 0 HG22 ILE A 53 10.247 6.837 10.814 1.00 11.43 H new ATOM 0 HG23 ILE A 53 11.384 7.775 9.816 1.00 11.43 H new ATOM 0 HD11 ILE A 53 13.395 10.459 12.286 1.00 63.54 H new ATOM 0 HD12 ILE A 53 12.373 9.403 13.290 1.00 63.54 H new ATOM 0 HD13 ILE A 53 13.160 8.755 11.832 1.00 63.54 H new ATOM 839 N ILE A 54 8.138 7.761 8.991 1.00 2.13 N ATOM 840 CA ILE A 54 7.228 6.664 8.643 1.00 50.33 C ATOM 841 C ILE A 54 7.983 5.326 8.550 1.00 65.24 C ATOM 842 O ILE A 54 8.927 5.185 7.770 1.00 51.01 O ATOM 843 CB ILE A 54 6.489 6.930 7.297 1.00 74.34 C ATOM 844 CG1 ILE A 54 5.537 8.144 7.406 1.00 22.44 C ATOM 845 CG2 ILE A 54 5.713 5.690 6.848 1.00 64.40 C ATOM 846 CD1 ILE A 54 6.237 9.486 7.525 1.00 45.24 C ATOM 0 H ILE A 54 8.664 8.135 8.202 1.00 2.13 H new ATOM 0 HA ILE A 54 6.488 6.607 9.441 1.00 50.33 H new ATOM 0 HB ILE A 54 7.247 7.159 6.548 1.00 74.34 H new ATOM 0 HG12 ILE A 54 4.891 8.162 6.528 1.00 22.44 H new ATOM 0 HG13 ILE A 54 4.892 8.007 8.274 1.00 22.44 H new ATOM 0 HG21 ILE A 54 5.205 5.900 5.906 1.00 64.40 H new ATOM 0 HG22 ILE A 54 6.404 4.858 6.710 1.00 64.40 H new ATOM 0 HG23 ILE A 54 4.976 5.427 7.607 1.00 64.40 H new ATOM 0 HD11 ILE A 54 5.493 10.279 7.596 1.00 45.24 H new ATOM 0 HD12 ILE A 54 6.861 9.493 8.418 1.00 45.24 H new ATOM 0 HD13 ILE A 54 6.860 9.651 6.646 1.00 45.24 H new ATOM 858 N GLN A 55 7.566 4.346 9.350 1.00 43.33 N ATOM 859 CA GLN A 55 8.188 3.018 9.334 1.00 51.43 C ATOM 860 C GLN A 55 7.180 1.958 8.870 1.00 30.24 C ATOM 861 O GLN A 55 6.263 1.601 9.606 1.00 24.12 O ATOM 862 CB GLN A 55 8.737 2.668 10.733 1.00 63.43 C ATOM 863 CG GLN A 55 9.751 1.517 10.752 1.00 3.11 C ATOM 864 CD GLN A 55 9.136 0.128 10.605 1.00 72.52 C ATOM 865 OE1 GLN A 55 8.023 -0.133 11.049 1.00 14.53 O ATOM 866 NE2 GLN A 55 9.862 -0.773 9.972 1.00 12.32 N ATOM 0 H GLN A 55 6.801 4.444 10.018 1.00 43.33 H new ATOM 0 HA GLN A 55 9.019 3.032 8.629 1.00 51.43 H new ATOM 0 HB2 GLN A 55 9.207 3.556 11.157 1.00 63.43 H new ATOM 0 HB3 GLN A 55 7.901 2.409 11.383 1.00 63.43 H new ATOM 0 HG2 GLN A 55 10.469 1.669 9.946 1.00 3.11 H new ATOM 0 HG3 GLN A 55 10.308 1.556 11.688 1.00 3.11 H new ATOM 0 HE21 GLN A 55 10.784 -0.525 9.614 1.00 12.32 H new ATOM 0 HE22 GLN A 55 9.501 -1.718 9.840 1.00 12.32 H new ATOM 875 N ILE A 56 7.335 1.480 7.639 1.00 25.44 N ATOM 876 CA ILE A 56 6.469 0.418 7.114 1.00 43.21 C ATOM 877 C ILE A 56 7.054 -0.959 7.482 1.00 62.40 C ATOM 878 O ILE A 56 8.190 -1.277 7.132 1.00 21.25 O ATOM 879 CB ILE A 56 6.263 0.569 5.570 1.00 12.43 C ATOM 880 CG1 ILE A 56 5.190 -0.408 5.026 1.00 65.43 C ATOM 881 CG2 ILE A 56 7.581 0.402 4.817 1.00 31.14 C ATOM 882 CD1 ILE A 56 5.670 -1.828 4.785 1.00 24.22 C ATOM 0 H ILE A 56 8.047 1.806 6.986 1.00 25.44 H new ATOM 0 HA ILE A 56 5.484 0.504 7.572 1.00 43.21 H new ATOM 0 HB ILE A 56 5.897 1.581 5.398 1.00 12.43 H new ATOM 0 HG12 ILE A 56 4.358 -0.437 5.730 1.00 65.43 H new ATOM 0 HG13 ILE A 56 4.801 -0.009 4.089 1.00 65.43 H new ATOM 0 HG21 ILE A 56 7.405 0.512 3.747 1.00 31.14 H new ATOM 0 HG22 ILE A 56 8.288 1.162 5.149 1.00 31.14 H new ATOM 0 HG23 ILE A 56 7.992 -0.588 5.017 1.00 31.14 H new ATOM 0 HD11 ILE A 56 4.845 -2.431 4.405 1.00 24.22 H new ATOM 0 HD12 ILE A 56 6.479 -1.820 4.055 1.00 24.22 H new ATOM 0 HD13 ILE A 56 6.030 -2.254 5.721 1.00 24.22 H new ATOM 894 N VAL A 57 6.276 -1.761 8.207 1.00 50.15 N ATOM 895 CA VAL A 57 6.763 -3.043 8.735 1.00 23.03 C ATOM 896 C VAL A 57 7.050 -4.047 7.599 1.00 13.42 C ATOM 897 O VAL A 57 8.203 -4.378 7.326 1.00 31.32 O ATOM 898 CB VAL A 57 5.751 -3.655 9.741 1.00 73.02 C ATOM 899 CG1 VAL A 57 6.377 -4.818 10.509 1.00 34.21 C ATOM 900 CG2 VAL A 57 5.226 -2.588 10.705 1.00 13.42 C ATOM 0 H VAL A 57 5.307 -1.550 8.444 1.00 50.15 H new ATOM 0 HA VAL A 57 7.697 -2.841 9.259 1.00 23.03 H new ATOM 0 HB VAL A 57 4.906 -4.043 9.172 1.00 73.02 H new ATOM 0 HG11 VAL A 57 5.647 -5.228 11.207 1.00 34.21 H new ATOM 0 HG12 VAL A 57 6.684 -5.594 9.808 1.00 34.21 H new ATOM 0 HG13 VAL A 57 7.247 -4.463 11.061 1.00 34.21 H new ATOM 0 HG21 VAL A 57 4.519 -3.041 11.400 1.00 13.42 H new ATOM 0 HG22 VAL A 57 6.059 -2.160 11.263 1.00 13.42 H new ATOM 0 HG23 VAL A 57 4.726 -1.802 10.140 1.00 13.42 H new ATOM 910 N HIS A 58 5.991 -4.535 6.949 1.00 71.13 N ATOM 911 CA HIS A 58 6.119 -5.368 5.741 1.00 32.30 C ATOM 912 C HIS A 58 4.748 -5.601 5.090 1.00 72.32 C ATOM 913 O HIS A 58 3.719 -5.598 5.765 1.00 51.14 O ATOM 914 CB HIS A 58 6.820 -6.710 6.037 1.00 65.12 C ATOM 915 CG HIS A 58 6.162 -7.548 7.093 1.00 63.22 C ATOM 916 ND1 HIS A 58 6.303 -7.551 8.438 1.00 31.10 N flip ATOM 917 CD2 HIS A 58 5.264 -8.553 6.810 1.00 52.03 C flip ATOM 918 CE1 HIS A 58 5.496 -8.544 8.932 1.00 43.03 C flip ATOM 919 NE2 HIS A 58 4.884 -9.133 7.928 1.00 62.13 N flip ATOM 0 H HIS A 58 5.027 -4.369 7.238 1.00 71.13 H new ATOM 0 HA HIS A 58 6.748 -4.822 5.037 1.00 32.30 H new ATOM 0 HB2 HIS A 58 6.870 -7.288 5.114 1.00 65.12 H new ATOM 0 HB3 HIS A 58 7.847 -6.507 6.342 1.00 65.12 H new ATOM 0 HD2 HIS A 58 4.924 -8.824 5.821 1.00 52.03 H new ATOM 0 HE1 HIS A 58 5.382 -8.800 9.975 1.00 43.03 H new ATOM 0 HE2 HIS A 58 4.226 -9.909 8.003 1.00 62.13 H new ATOM 928 N ALA A 59 4.741 -5.788 3.774 1.00 73.34 N ATOM 929 CA ALA A 59 3.495 -5.940 3.013 1.00 15.53 C ATOM 930 C ALA A 59 3.104 -7.416 2.839 1.00 23.42 C ATOM 931 O ALA A 59 3.720 -8.145 2.060 1.00 15.43 O ATOM 932 CB ALA A 59 3.634 -5.260 1.655 1.00 64.32 C ATOM 0 H ALA A 59 5.586 -5.839 3.205 1.00 73.34 H new ATOM 0 HA ALA A 59 2.696 -5.461 3.579 1.00 15.53 H new ATOM 0 HB1 ALA A 59 2.707 -5.375 1.094 1.00 64.32 H new ATOM 0 HB2 ALA A 59 3.842 -4.200 1.799 1.00 64.32 H new ATOM 0 HB3 ALA A 59 4.453 -5.718 1.101 1.00 64.32 H new ATOM 938 N ILE A 60 2.067 -7.848 3.550 1.00 30.20 N ATOM 939 CA ILE A 60 1.617 -9.241 3.489 1.00 13.32 C ATOM 940 C ILE A 60 0.674 -9.458 2.289 1.00 12.15 C ATOM 941 O ILE A 60 -0.541 -9.292 2.397 1.00 12.33 O ATOM 942 CB ILE A 60 0.900 -9.687 4.798 1.00 63.33 C ATOM 943 CG1 ILE A 60 1.783 -9.459 6.043 1.00 13.40 C ATOM 944 CG2 ILE A 60 0.485 -11.152 4.712 1.00 43.24 C ATOM 945 CD1 ILE A 60 1.843 -8.019 6.514 1.00 5.41 C ATOM 0 H ILE A 60 1.520 -7.256 4.176 1.00 30.20 H new ATOM 0 HA ILE A 60 2.511 -9.853 3.368 1.00 13.32 H new ATOM 0 HB ILE A 60 0.008 -9.069 4.904 1.00 63.33 H new ATOM 0 HG12 ILE A 60 1.409 -10.079 6.857 1.00 13.40 H new ATOM 0 HG13 ILE A 60 2.795 -9.799 5.823 1.00 13.40 H new ATOM 0 HG21 ILE A 60 -0.014 -11.444 5.636 1.00 43.24 H new ATOM 0 HG22 ILE A 60 -0.197 -11.288 3.873 1.00 43.24 H new ATOM 0 HG23 ILE A 60 1.369 -11.773 4.566 1.00 43.24 H new ATOM 0 HD11 ILE A 60 2.485 -7.950 7.392 1.00 5.41 H new ATOM 0 HD12 ILE A 60 2.248 -7.393 5.719 1.00 5.41 H new ATOM 0 HD13 ILE A 60 0.840 -7.678 6.770 1.00 5.41 H new ATOM 957 N ARG A 61 1.250 -9.807 1.141 1.00 72.34 N ATOM 958 CA ARG A 61 0.481 -9.985 -0.102 1.00 11.41 C ATOM 959 C ARG A 61 0.061 -11.448 -0.325 1.00 24.32 C ATOM 960 O ARG A 61 0.777 -12.224 -0.955 1.00 73.35 O ATOM 961 CB ARG A 61 1.282 -9.448 -1.312 1.00 1.11 C ATOM 962 CG ARG A 61 2.814 -9.459 -1.156 1.00 70.12 C ATOM 963 CD ARG A 61 3.438 -10.859 -1.232 1.00 52.21 C ATOM 964 NE ARG A 61 3.171 -11.675 -0.042 1.00 21.10 N ATOM 965 CZ ARG A 61 4.091 -12.125 0.768 1.00 10.54 C ATOM 966 NH1 ARG A 61 5.331 -11.803 0.596 1.00 64.42 N ATOM 967 NH2 ARG A 61 3.761 -12.891 1.754 1.00 72.22 N ATOM 0 H ARG A 61 2.251 -9.974 1.039 1.00 72.34 H new ATOM 0 HA ARG A 61 -0.437 -9.406 -0.003 1.00 11.41 H new ATOM 0 HB2 ARG A 61 1.020 -10.040 -2.189 1.00 1.11 H new ATOM 0 HB3 ARG A 61 0.963 -8.425 -1.511 1.00 1.11 H new ATOM 0 HG2 ARG A 61 3.253 -8.834 -1.934 1.00 70.12 H new ATOM 0 HG3 ARG A 61 3.075 -9.007 -0.199 1.00 70.12 H new ATOM 0 HD2 ARG A 61 3.053 -11.374 -2.112 1.00 52.21 H new ATOM 0 HD3 ARG A 61 4.516 -10.763 -1.365 1.00 52.21 H new ATOM 0 HE ARG A 61 2.200 -11.907 0.167 1.00 21.10 H new ATOM 0 HH11 ARG A 61 5.597 -11.193 -0.177 1.00 64.42 H new ATOM 0 HH12 ARG A 61 6.043 -12.159 1.233 1.00 64.42 H new ATOM 0 HH21 ARG A 61 2.783 -13.143 1.899 1.00 72.22 H new ATOM 0 HH22 ARG A 61 4.478 -13.244 2.388 1.00 72.22 H new ATOM 981 N GLU A 62 -1.102 -11.824 0.192 1.00 30.44 N ATOM 982 CA GLU A 62 -1.575 -13.209 0.094 1.00 41.21 C ATOM 983 C GLU A 62 -2.630 -13.367 -1.013 1.00 34.21 C ATOM 984 O GLU A 62 -3.349 -12.426 -1.349 1.00 20.43 O ATOM 985 CB GLU A 62 -2.160 -13.666 1.441 1.00 12.24 C ATOM 986 CG GLU A 62 -1.256 -13.396 2.641 1.00 3.21 C ATOM 987 CD GLU A 62 0.059 -14.160 2.595 1.00 73.14 C ATOM 988 OE1 GLU A 62 0.097 -15.315 3.067 1.00 64.05 O ATOM 989 OE2 GLU A 62 1.069 -13.606 2.106 1.00 21.33 O ATOM 0 H GLU A 62 -1.737 -11.195 0.683 1.00 30.44 H new ATOM 0 HA GLU A 62 -0.720 -13.835 -0.162 1.00 41.21 H new ATOM 0 HB2 GLU A 62 -3.114 -13.163 1.599 1.00 12.24 H new ATOM 0 HB3 GLU A 62 -2.367 -14.735 1.390 1.00 12.24 H new ATOM 0 HG2 GLU A 62 -1.045 -12.328 2.694 1.00 3.21 H new ATOM 0 HG3 GLU A 62 -1.789 -13.661 3.554 1.00 3.21 H new ATOM 996 N LYS A 63 -2.719 -14.567 -1.575 1.00 20.15 N ATOM 997 CA LYS A 63 -3.725 -14.872 -2.597 1.00 71.34 C ATOM 998 C LYS A 63 -4.412 -16.215 -2.306 1.00 1.54 C ATOM 999 O LYS A 63 -3.826 -17.099 -1.678 1.00 32.24 O ATOM 1000 CB LYS A 63 -3.088 -14.881 -3.996 1.00 14.00 C ATOM 1001 CG LYS A 63 -1.876 -15.799 -4.128 1.00 20.25 C ATOM 1002 CD LYS A 63 -1.466 -15.996 -5.588 1.00 3.32 C ATOM 1003 CE LYS A 63 -1.119 -14.685 -6.287 1.00 12.15 C ATOM 1004 NZ LYS A 63 0.113 -14.055 -5.741 1.00 63.32 N ATOM 0 H LYS A 63 -2.107 -15.349 -1.342 1.00 20.15 H new ATOM 0 HA LYS A 63 -4.485 -14.091 -2.570 1.00 71.34 H new ATOM 0 HB2 LYS A 63 -3.841 -15.185 -4.723 1.00 14.00 H new ATOM 0 HB3 LYS A 63 -2.789 -13.865 -4.253 1.00 14.00 H new ATOM 0 HG2 LYS A 63 -1.040 -15.379 -3.570 1.00 20.25 H new ATOM 0 HG3 LYS A 63 -2.103 -16.767 -3.681 1.00 20.25 H new ATOM 0 HD2 LYS A 63 -0.606 -16.665 -5.632 1.00 3.32 H new ATOM 0 HD3 LYS A 63 -2.278 -16.485 -6.126 1.00 3.32 H new ATOM 0 HE2 LYS A 63 -0.986 -14.870 -7.353 1.00 12.15 H new ATOM 0 HE3 LYS A 63 -1.953 -13.991 -6.185 1.00 12.15 H new ATOM 0 HZ1 LYS A 63 0.352 -13.214 -6.304 1.00 63.32 H new ATOM 0 HZ2 LYS A 63 -0.049 -13.775 -4.753 1.00 63.32 H new ATOM 0 HZ3 LYS A 63 0.899 -14.735 -5.784 1.00 63.32 H new ATOM 1018 N ARG A 64 -5.660 -16.360 -2.751 1.00 32.50 N ATOM 1019 CA ARG A 64 -6.462 -17.559 -2.458 1.00 71.03 C ATOM 1020 C ARG A 64 -7.695 -17.652 -3.376 1.00 35.33 C ATOM 1021 O ARG A 64 -7.846 -16.862 -4.303 1.00 51.14 O ATOM 1022 CB ARG A 64 -6.894 -17.541 -0.982 1.00 41.34 C ATOM 1023 CG ARG A 64 -7.645 -16.277 -0.580 1.00 44.10 C ATOM 1024 CD ARG A 64 -7.895 -16.217 0.923 1.00 63.43 C ATOM 1025 NE ARG A 64 -8.635 -17.382 1.405 1.00 43.25 N ATOM 1026 CZ ARG A 64 -9.918 -17.393 1.645 1.00 73.41 C ATOM 1027 NH1 ARG A 64 -10.642 -16.342 1.437 1.00 5.21 N ATOM 1028 NH2 ARG A 64 -10.481 -18.465 2.083 1.00 31.12 N ATOM 0 H ARG A 64 -6.143 -15.663 -3.318 1.00 32.50 H new ATOM 0 HA ARG A 64 -5.846 -18.438 -2.647 1.00 71.03 H new ATOM 0 HB2 ARG A 64 -7.527 -18.407 -0.787 1.00 41.34 H new ATOM 0 HB3 ARG A 64 -6.010 -17.644 -0.352 1.00 41.34 H new ATOM 0 HG2 ARG A 64 -7.073 -15.402 -0.888 1.00 44.10 H new ATOM 0 HG3 ARG A 64 -8.598 -16.237 -1.108 1.00 44.10 H new ATOM 0 HD2 ARG A 64 -6.941 -16.152 1.446 1.00 63.43 H new ATOM 0 HD3 ARG A 64 -8.452 -15.311 1.161 1.00 63.43 H new ATOM 0 HE ARG A 64 -8.114 -18.244 1.564 1.00 43.25 H new ATOM 0 HH11 ARG A 64 -10.212 -15.489 1.080 1.00 5.21 H new ATOM 0 HH12 ARG A 64 -11.643 -16.366 1.629 1.00 5.21 H new ATOM 0 HH21 ARG A 64 -9.924 -19.305 2.242 1.00 31.12 H new ATOM 0 HH22 ARG A 64 -11.484 -18.474 2.271 1.00 31.12 H new ATOM 1042 N ILE A 65 -8.569 -18.627 -3.123 1.00 14.01 N ATOM 1043 CA ILE A 65 -9.792 -18.808 -3.922 1.00 1.04 C ATOM 1044 C ILE A 65 -11.001 -18.074 -3.311 1.00 71.21 C ATOM 1045 O ILE A 65 -11.152 -17.998 -2.091 1.00 42.51 O ATOM 1046 CB ILE A 65 -10.126 -20.323 -4.100 1.00 12.13 C ATOM 1047 CG1 ILE A 65 -9.334 -20.907 -5.282 1.00 71.04 C ATOM 1048 CG2 ILE A 65 -11.628 -20.564 -4.291 1.00 22.43 C ATOM 1049 CD1 ILE A 65 -9.728 -20.317 -6.625 1.00 51.13 C ATOM 0 H ILE A 65 -8.457 -19.307 -2.371 1.00 14.01 H new ATOM 0 HA ILE A 65 -9.593 -18.369 -4.900 1.00 1.04 H new ATOM 0 HB ILE A 65 -9.831 -20.833 -3.183 1.00 12.13 H new ATOM 0 HG12 ILE A 65 -8.270 -20.736 -5.117 1.00 71.04 H new ATOM 0 HG13 ILE A 65 -9.482 -21.986 -5.311 1.00 71.04 H new ATOM 0 HG21 ILE A 65 -11.813 -21.632 -4.411 1.00 22.43 H new ATOM 0 HG22 ILE A 65 -12.169 -20.198 -3.419 1.00 22.43 H new ATOM 0 HG23 ILE A 65 -11.971 -20.034 -5.180 1.00 22.43 H new ATOM 0 HD11 ILE A 65 -9.130 -20.774 -7.413 1.00 51.13 H new ATOM 0 HD12 ILE A 65 -10.784 -20.511 -6.812 1.00 51.13 H new ATOM 0 HD13 ILE A 65 -9.553 -19.241 -6.615 1.00 51.13 H new ATOM 1061 N LEU A 66 -11.845 -17.515 -4.180 1.00 43.41 N ATOM 1062 CA LEU A 66 -13.117 -16.915 -3.765 1.00 44.03 C ATOM 1063 C LEU A 66 -14.283 -17.886 -4.002 1.00 53.22 C ATOM 1064 O LEU A 66 -15.109 -18.116 -3.116 1.00 44.14 O ATOM 1065 CB LEU A 66 -13.383 -15.616 -4.539 1.00 53.21 C ATOM 1066 CG LEU A 66 -14.709 -14.910 -4.190 1.00 75.24 C ATOM 1067 CD1 LEU A 66 -14.648 -14.294 -2.794 1.00 13.05 C ATOM 1068 CD2 LEU A 66 -15.068 -13.861 -5.240 1.00 44.42 C ATOM 0 H LEU A 66 -11.670 -17.465 -5.184 1.00 43.41 H new ATOM 0 HA LEU A 66 -13.043 -16.694 -2.700 1.00 44.03 H new ATOM 0 HB2 LEU A 66 -12.561 -14.925 -4.353 1.00 53.21 H new ATOM 0 HB3 LEU A 66 -13.377 -15.839 -5.606 1.00 53.21 H new ATOM 0 HG LEU A 66 -15.499 -15.661 -4.190 1.00 75.24 H new ATOM 0 HD11 LEU A 66 -15.595 -13.802 -2.572 1.00 13.05 H new ATOM 0 HD12 LEU A 66 -14.464 -15.077 -2.058 1.00 13.05 H new ATOM 0 HD13 LEU A 66 -13.841 -13.562 -2.754 1.00 13.05 H new ATOM 0 HD21 LEU A 66 -16.007 -13.380 -4.967 1.00 44.42 H new ATOM 0 HD22 LEU A 66 -14.278 -13.112 -5.291 1.00 44.42 H new ATOM 0 HD23 LEU A 66 -15.175 -14.341 -6.212 1.00 44.42 H new ATOM 1080 N SER A 67 -14.346 -18.451 -5.208 1.00 42.23 N ATOM 1081 CA SER A 67 -15.455 -19.333 -5.597 1.00 22.14 C ATOM 1082 C SER A 67 -14.984 -20.498 -6.478 1.00 65.02 C ATOM 1083 O SER A 67 -14.074 -20.350 -7.301 1.00 52.25 O ATOM 1084 CB SER A 67 -16.517 -18.532 -6.356 1.00 62.23 C ATOM 1085 OG SER A 67 -15.981 -17.980 -7.550 1.00 13.54 O ATOM 0 H SER A 67 -13.644 -18.316 -5.935 1.00 42.23 H new ATOM 0 HA SER A 67 -15.874 -19.748 -4.680 1.00 22.14 H new ATOM 0 HB2 SER A 67 -17.362 -19.178 -6.597 1.00 62.23 H new ATOM 0 HB3 SER A 67 -16.898 -17.733 -5.720 1.00 62.23 H new ATOM 0 HG SER A 67 -16.592 -17.297 -7.898 1.00 13.54 H new ATOM 1091 N LEU A 68 -15.608 -21.657 -6.289 1.00 23.53 N ATOM 1092 CA LEU A 68 -15.384 -22.826 -7.145 1.00 71.53 C ATOM 1093 C LEU A 68 -16.711 -23.304 -7.751 1.00 32.54 C ATOM 1094 O LEU A 68 -17.707 -23.445 -7.043 1.00 74.13 O ATOM 1095 CB LEU A 68 -14.737 -23.964 -6.339 1.00 34.44 C ATOM 1096 CG LEU A 68 -13.337 -23.666 -5.776 1.00 2.02 C ATOM 1097 CD1 LEU A 68 -12.826 -24.835 -4.937 1.00 32.34 C ATOM 1098 CD2 LEU A 68 -12.354 -23.341 -6.902 1.00 43.23 C ATOM 0 H LEU A 68 -16.283 -21.816 -5.541 1.00 23.53 H new ATOM 0 HA LEU A 68 -14.710 -22.538 -7.952 1.00 71.53 H new ATOM 0 HB2 LEU A 68 -15.396 -24.218 -5.509 1.00 34.44 H new ATOM 0 HB3 LEU A 68 -14.673 -24.846 -6.976 1.00 34.44 H new ATOM 0 HG LEU A 68 -13.415 -22.792 -5.129 1.00 2.02 H new ATOM 0 HD11 LEU A 68 -11.834 -24.599 -4.550 1.00 32.34 H new ATOM 0 HD12 LEU A 68 -13.508 -25.011 -4.105 1.00 32.34 H new ATOM 0 HD13 LEU A 68 -12.771 -25.730 -5.556 1.00 32.34 H new ATOM 0 HD21 LEU A 68 -11.371 -23.134 -6.479 1.00 43.23 H new ATOM 0 HD22 LEU A 68 -12.285 -24.191 -7.581 1.00 43.23 H new ATOM 0 HD23 LEU A 68 -12.705 -22.466 -7.450 1.00 43.23 H new ATOM 1110 N SER A 69 -16.723 -23.544 -9.061 1.00 51.30 N ATOM 1111 CA SER A 69 -17.931 -24.022 -9.749 1.00 14.01 C ATOM 1112 C SER A 69 -18.269 -25.475 -9.370 1.00 40.41 C ATOM 1113 O SER A 69 -17.607 -26.085 -8.524 1.00 14.44 O ATOM 1114 CB SER A 69 -17.764 -23.900 -11.273 1.00 64.01 C ATOM 1115 OG SER A 69 -18.932 -24.322 -11.961 1.00 0.32 O ATOM 0 H SER A 69 -15.915 -23.417 -9.670 1.00 51.30 H new ATOM 0 HA SER A 69 -18.760 -23.393 -9.426 1.00 14.01 H new ATOM 0 HB2 SER A 69 -17.541 -22.865 -11.534 1.00 64.01 H new ATOM 0 HB3 SER A 69 -16.914 -24.501 -11.596 1.00 64.01 H new ATOM 0 HG SER A 69 -18.794 -24.230 -12.927 1.00 0.32 H new ATOM 1121 N GLU A 70 -19.294 -26.025 -10.013 1.00 12.34 N ATOM 1122 CA GLU A 70 -19.805 -27.359 -9.691 1.00 11.34 C ATOM 1123 C GLU A 70 -18.726 -28.451 -9.833 1.00 45.05 C ATOM 1124 O GLU A 70 -18.392 -28.875 -10.942 1.00 20.25 O ATOM 1125 CB GLU A 70 -21.010 -27.679 -10.590 1.00 44.45 C ATOM 1126 CG GLU A 70 -21.704 -28.997 -10.261 1.00 71.45 C ATOM 1127 CD GLU A 70 -22.917 -29.246 -11.142 1.00 35.45 C ATOM 1128 OE1 GLU A 70 -24.026 -28.802 -10.776 1.00 31.04 O ATOM 1129 OE2 GLU A 70 -22.765 -29.869 -12.215 1.00 31.42 O ATOM 0 H GLU A 70 -19.795 -25.562 -10.771 1.00 12.34 H new ATOM 0 HA GLU A 70 -20.114 -27.353 -8.646 1.00 11.34 H new ATOM 0 HB2 GLU A 70 -21.735 -26.869 -10.508 1.00 44.45 H new ATOM 0 HB3 GLU A 70 -20.678 -27.706 -11.628 1.00 44.45 H new ATOM 0 HG2 GLU A 70 -20.996 -29.817 -10.381 1.00 71.45 H new ATOM 0 HG3 GLU A 70 -22.012 -28.992 -9.215 1.00 71.45 H new ATOM 1136 N SER A 71 -18.186 -28.884 -8.693 1.00 5.21 N ATOM 1137 CA SER A 71 -17.211 -29.988 -8.626 1.00 52.52 C ATOM 1138 C SER A 71 -15.858 -29.643 -9.280 1.00 4.55 C ATOM 1139 O SER A 71 -15.678 -29.800 -10.490 1.00 11.32 O ATOM 1140 CB SER A 71 -17.785 -31.272 -9.251 1.00 23.12 C ATOM 1141 OG SER A 71 -16.893 -32.365 -9.100 1.00 72.31 O ATOM 0 H SER A 71 -18.410 -28.481 -7.783 1.00 5.21 H new ATOM 0 HA SER A 71 -17.021 -30.155 -7.566 1.00 52.52 H new ATOM 0 HB2 SER A 71 -18.739 -31.512 -8.782 1.00 23.12 H new ATOM 0 HB3 SER A 71 -17.983 -31.106 -10.310 1.00 23.12 H new ATOM 0 HG SER A 71 -17.286 -33.166 -9.505 1.00 72.31 H new ATOM 1147 N GLY A 72 -14.923 -29.153 -8.461 1.00 71.34 N ATOM 1148 CA GLY A 72 -13.541 -28.938 -8.899 1.00 54.21 C ATOM 1149 C GLY A 72 -13.393 -28.096 -10.165 1.00 32.44 C ATOM 1150 O GLY A 72 -12.958 -28.597 -11.206 1.00 62.43 O ATOM 0 H GLY A 72 -15.099 -28.897 -7.489 1.00 71.34 H new ATOM 0 HA2 GLY A 72 -12.990 -28.455 -8.092 1.00 54.21 H new ATOM 0 HA3 GLY A 72 -13.073 -29.908 -9.068 1.00 54.21 H new ATOM 1154 N ARG A 73 -13.733 -26.813 -10.077 1.00 41.01 N ATOM 1155 CA ARG A 73 -13.604 -25.898 -11.217 1.00 1.52 C ATOM 1156 C ARG A 73 -13.323 -24.460 -10.731 1.00 22.01 C ATOM 1157 O ARG A 73 -14.192 -23.815 -10.144 1.00 72.21 O ATOM 1158 CB ARG A 73 -14.888 -25.942 -12.060 1.00 51.20 C ATOM 1159 CG ARG A 73 -14.722 -25.443 -13.494 1.00 44.40 C ATOM 1160 CD ARG A 73 -13.819 -26.369 -14.304 1.00 60.40 C ATOM 1161 NE ARG A 73 -13.816 -26.031 -15.730 1.00 61.11 N ATOM 1162 CZ ARG A 73 -13.502 -26.869 -16.687 1.00 64.35 C ATOM 1163 NH1 ARG A 73 -13.150 -28.084 -16.419 1.00 62.32 N ATOM 1164 NH2 ARG A 73 -13.551 -26.489 -17.921 1.00 23.12 N ATOM 0 H ARG A 73 -14.100 -26.379 -9.230 1.00 41.01 H new ATOM 0 HA ARG A 73 -12.763 -26.215 -11.833 1.00 1.52 H new ATOM 0 HB2 ARG A 73 -15.255 -26.968 -12.086 1.00 51.20 H new ATOM 0 HB3 ARG A 73 -15.652 -25.342 -11.566 1.00 51.20 H new ATOM 0 HG2 ARG A 73 -15.699 -25.375 -13.973 1.00 44.40 H new ATOM 0 HG3 ARG A 73 -14.301 -24.438 -13.485 1.00 44.40 H new ATOM 0 HD2 ARG A 73 -12.802 -26.312 -13.917 1.00 60.40 H new ATOM 0 HD3 ARG A 73 -14.151 -27.399 -14.177 1.00 60.40 H new ATOM 0 HE ARG A 73 -14.075 -25.081 -15.995 1.00 61.11 H new ATOM 0 HH11 ARG A 73 -13.114 -28.403 -15.451 1.00 62.32 H new ATOM 0 HH12 ARG A 73 -12.909 -28.724 -17.176 1.00 62.32 H new ATOM 0 HH21 ARG A 73 -13.834 -25.536 -18.150 1.00 23.12 H new ATOM 0 HH22 ARG A 73 -13.306 -27.142 -18.666 1.00 23.12 H new ATOM 1178 N VAL A 74 -12.106 -23.970 -10.961 1.00 41.23 N ATOM 1179 CA VAL A 74 -11.696 -22.637 -10.490 1.00 64.11 C ATOM 1180 C VAL A 74 -12.477 -21.502 -11.184 1.00 12.44 C ATOM 1181 O VAL A 74 -12.509 -21.417 -12.413 1.00 41.34 O ATOM 1182 CB VAL A 74 -10.176 -22.416 -10.699 1.00 22.04 C ATOM 1183 CG1 VAL A 74 -9.756 -21.026 -10.224 1.00 52.34 C ATOM 1184 CG2 VAL A 74 -9.369 -23.499 -9.982 1.00 52.15 C ATOM 0 H VAL A 74 -11.381 -24.474 -11.472 1.00 41.23 H new ATOM 0 HA VAL A 74 -11.926 -22.605 -9.425 1.00 64.11 H new ATOM 0 HB VAL A 74 -9.968 -22.485 -11.767 1.00 22.04 H new ATOM 0 HG11 VAL A 74 -8.685 -20.896 -10.381 1.00 52.34 H new ATOM 0 HG12 VAL A 74 -10.300 -20.269 -10.788 1.00 52.34 H new ATOM 0 HG13 VAL A 74 -9.982 -20.920 -9.163 1.00 52.34 H new ATOM 0 HG21 VAL A 74 -8.305 -23.325 -10.141 1.00 52.15 H new ATOM 0 HG22 VAL A 74 -9.586 -23.467 -8.914 1.00 52.15 H new ATOM 0 HG23 VAL A 74 -9.640 -24.477 -10.379 1.00 52.15 H new ATOM 1194 N ARG A 75 -13.103 -20.637 -10.381 1.00 50.31 N ATOM 1195 CA ARG A 75 -13.853 -19.482 -10.896 1.00 22.35 C ATOM 1196 C ARG A 75 -13.154 -18.155 -10.574 1.00 41.43 C ATOM 1197 O ARG A 75 -12.329 -17.670 -11.350 1.00 1.04 O ATOM 1198 CB ARG A 75 -15.276 -19.469 -10.319 1.00 13.43 C ATOM 1199 CG ARG A 75 -16.284 -20.299 -11.100 1.00 3.21 C ATOM 1200 CD ARG A 75 -17.692 -20.129 -10.536 1.00 74.42 C ATOM 1201 NE ARG A 75 -18.051 -18.717 -10.372 1.00 51.42 N ATOM 1202 CZ ARG A 75 -19.210 -18.296 -9.944 1.00 41.53 C ATOM 1203 NH1 ARG A 75 -20.158 -19.130 -9.658 1.00 72.23 N ATOM 1204 NH2 ARG A 75 -19.412 -17.029 -9.795 1.00 41.14 N ATOM 0 H ARG A 75 -13.106 -20.714 -9.364 1.00 50.31 H new ATOM 0 HA ARG A 75 -13.898 -19.584 -11.980 1.00 22.35 H new ATOM 0 HB2 ARG A 75 -15.241 -19.835 -9.293 1.00 13.43 H new ATOM 0 HB3 ARG A 75 -15.628 -18.438 -10.278 1.00 13.43 H new ATOM 0 HG2 ARG A 75 -16.271 -20.001 -12.148 1.00 3.21 H new ATOM 0 HG3 ARG A 75 -15.999 -21.351 -11.064 1.00 3.21 H new ATOM 0 HD2 ARG A 75 -18.409 -20.611 -11.200 1.00 74.42 H new ATOM 0 HD3 ARG A 75 -17.760 -20.635 -9.573 1.00 74.42 H new ATOM 0 HE ARG A 75 -17.348 -18.017 -10.608 1.00 51.42 H new ATOM 0 HH11 ARG A 75 -20.005 -20.133 -9.766 1.00 72.23 H new ATOM 0 HH12 ARG A 75 -21.058 -18.784 -9.325 1.00 72.23 H new ATOM 0 HH21 ARG A 75 -18.668 -16.365 -10.011 1.00 41.14 H new ATOM 0 HH22 ARG A 75 -20.315 -16.692 -9.461 1.00 41.14 H new ATOM 1218 N GLU A 76 -13.488 -17.565 -9.427 1.00 52.55 N ATOM 1219 CA GLU A 76 -12.911 -16.282 -9.028 1.00 21.12 C ATOM 1220 C GLU A 76 -11.794 -16.460 -7.991 1.00 1.04 C ATOM 1221 O GLU A 76 -11.935 -17.205 -7.015 1.00 13.44 O ATOM 1222 CB GLU A 76 -13.998 -15.340 -8.487 1.00 2.23 C ATOM 1223 CG GLU A 76 -14.954 -14.800 -9.554 1.00 75.51 C ATOM 1224 CD GLU A 76 -16.000 -15.807 -10.010 1.00 73.51 C ATOM 1225 OE1 GLU A 76 -16.994 -16.008 -9.283 1.00 42.10 O ATOM 1226 OE2 GLU A 76 -15.849 -16.381 -11.110 1.00 31.32 O ATOM 0 H GLU A 76 -14.154 -17.954 -8.759 1.00 52.55 H new ATOM 0 HA GLU A 76 -12.470 -15.833 -9.918 1.00 21.12 H new ATOM 0 HB2 GLU A 76 -14.578 -15.870 -7.731 1.00 2.23 H new ATOM 0 HB3 GLU A 76 -13.517 -14.499 -7.988 1.00 2.23 H new ATOM 0 HG2 GLU A 76 -15.460 -13.918 -9.162 1.00 75.51 H new ATOM 0 HG3 GLU A 76 -14.374 -14.477 -10.418 1.00 75.51 H new ATOM 1233 N PHE A 77 -10.687 -15.762 -8.216 1.00 41.30 N ATOM 1234 CA PHE A 77 -9.507 -15.849 -7.354 1.00 73.54 C ATOM 1235 C PHE A 77 -9.387 -14.592 -6.469 1.00 75.54 C ATOM 1236 O PHE A 77 -9.411 -13.467 -6.966 1.00 33.32 O ATOM 1237 CB PHE A 77 -8.262 -16.017 -8.240 1.00 14.21 C ATOM 1238 CG PHE A 77 -7.071 -16.598 -7.528 1.00 31.24 C ATOM 1239 CD1 PHE A 77 -7.014 -17.957 -7.247 1.00 32.30 C ATOM 1240 CD2 PHE A 77 -6.007 -15.795 -7.153 1.00 64.44 C ATOM 1241 CE1 PHE A 77 -5.921 -18.500 -6.603 1.00 41.41 C ATOM 1242 CE2 PHE A 77 -4.913 -16.335 -6.509 1.00 20.14 C ATOM 1243 CZ PHE A 77 -4.868 -17.687 -6.233 1.00 12.34 C ATOM 0 H PHE A 77 -10.579 -15.119 -9.000 1.00 41.30 H new ATOM 0 HA PHE A 77 -9.599 -16.709 -6.690 1.00 73.54 H new ATOM 0 HB2 PHE A 77 -8.515 -16.658 -9.084 1.00 14.21 H new ATOM 0 HB3 PHE A 77 -7.988 -15.045 -8.649 1.00 14.21 H new ATOM 0 HD1 PHE A 77 -7.835 -18.596 -7.536 1.00 32.30 H new ATOM 0 HD2 PHE A 77 -6.034 -14.737 -7.367 1.00 64.44 H new ATOM 0 HE1 PHE A 77 -5.889 -19.558 -6.389 1.00 41.41 H new ATOM 0 HE2 PHE A 77 -4.090 -15.699 -6.220 1.00 20.14 H new ATOM 0 HZ PHE A 77 -4.011 -18.108 -5.729 1.00 12.34 H new ATOM 1253 N GLU A 78 -9.264 -14.791 -5.160 1.00 14.45 N ATOM 1254 CA GLU A 78 -9.240 -13.684 -4.193 1.00 10.42 C ATOM 1255 C GLU A 78 -7.803 -13.219 -3.880 1.00 12.33 C ATOM 1256 O GLU A 78 -6.970 -13.998 -3.411 1.00 23.34 O ATOM 1257 CB GLU A 78 -9.949 -14.120 -2.901 1.00 20.24 C ATOM 1258 CG GLU A 78 -10.098 -13.014 -1.862 1.00 13.12 C ATOM 1259 CD GLU A 78 -10.775 -13.500 -0.589 1.00 43.32 C ATOM 1260 OE1 GLU A 78 -12.024 -13.519 -0.540 1.00 44.32 O ATOM 1261 OE2 GLU A 78 -10.064 -13.881 0.360 1.00 70.31 O ATOM 0 H GLU A 78 -9.178 -15.715 -4.736 1.00 14.45 H new ATOM 0 HA GLU A 78 -9.763 -12.837 -4.637 1.00 10.42 H new ATOM 0 HB2 GLU A 78 -10.939 -14.500 -3.154 1.00 20.24 H new ATOM 0 HB3 GLU A 78 -9.394 -14.947 -2.457 1.00 20.24 H new ATOM 0 HG2 GLU A 78 -9.114 -12.615 -1.617 1.00 13.12 H new ATOM 0 HG3 GLU A 78 -10.677 -12.195 -2.288 1.00 13.12 H new ATOM 1268 N LEU A 79 -7.526 -11.944 -4.147 1.00 73.03 N ATOM 1269 CA LEU A 79 -6.213 -11.345 -3.860 1.00 0.55 C ATOM 1270 C LEU A 79 -6.285 -10.437 -2.617 1.00 4.42 C ATOM 1271 O LEU A 79 -6.880 -9.361 -2.667 1.00 30.51 O ATOM 1272 CB LEU A 79 -5.733 -10.527 -5.074 1.00 52.34 C ATOM 1273 CG LEU A 79 -5.712 -11.279 -6.418 1.00 51.23 C ATOM 1274 CD1 LEU A 79 -5.301 -10.348 -7.553 1.00 1.44 C ATOM 1275 CD2 LEU A 79 -4.781 -12.487 -6.354 1.00 2.44 C ATOM 0 H LEU A 79 -8.195 -11.297 -4.565 1.00 73.03 H new ATOM 0 HA LEU A 79 -5.505 -12.150 -3.661 1.00 0.55 H new ATOM 0 HB2 LEU A 79 -6.376 -9.653 -5.177 1.00 52.34 H new ATOM 0 HB3 LEU A 79 -4.727 -10.160 -4.868 1.00 52.34 H new ATOM 0 HG LEU A 79 -6.722 -11.638 -6.616 1.00 51.23 H new ATOM 0 HD11 LEU A 79 -5.293 -10.901 -8.492 1.00 1.44 H new ATOM 0 HD12 LEU A 79 -6.011 -9.524 -7.623 1.00 1.44 H new ATOM 0 HD13 LEU A 79 -4.304 -9.953 -7.356 1.00 1.44 H new ATOM 0 HD21 LEU A 79 -4.784 -13.000 -7.316 1.00 2.44 H new ATOM 0 HD22 LEU A 79 -3.769 -12.154 -6.124 1.00 2.44 H new ATOM 0 HD23 LEU A 79 -5.124 -13.170 -5.577 1.00 2.44 H new ATOM 1287 N VAL A 80 -5.683 -10.867 -1.505 1.00 22.21 N ATOM 1288 CA VAL A 80 -5.739 -10.097 -0.251 1.00 34.10 C ATOM 1289 C VAL A 80 -4.375 -9.465 0.107 1.00 33.32 C ATOM 1290 O VAL A 80 -3.424 -10.149 0.493 1.00 70.43 O ATOM 1291 CB VAL A 80 -6.267 -10.964 0.929 1.00 74.04 C ATOM 1292 CG1 VAL A 80 -5.462 -12.250 1.078 1.00 42.40 C ATOM 1293 CG2 VAL A 80 -6.270 -10.165 2.233 1.00 71.55 C ATOM 0 H VAL A 80 -5.154 -11.737 -1.443 1.00 22.21 H new ATOM 0 HA VAL A 80 -6.444 -9.283 -0.419 1.00 34.10 H new ATOM 0 HB VAL A 80 -7.295 -11.244 0.700 1.00 74.04 H new ATOM 0 HG11 VAL A 80 -5.857 -12.832 1.911 1.00 42.40 H new ATOM 0 HG12 VAL A 80 -5.536 -12.834 0.160 1.00 42.40 H new ATOM 0 HG13 VAL A 80 -4.417 -12.005 1.270 1.00 42.40 H new ATOM 0 HG21 VAL A 80 -6.643 -10.792 3.043 1.00 71.55 H new ATOM 0 HG22 VAL A 80 -5.255 -9.840 2.463 1.00 71.55 H new ATOM 0 HG23 VAL A 80 -6.914 -9.292 2.124 1.00 71.55 H new ATOM 1303 N TYR A 81 -4.298 -8.142 -0.024 1.00 62.03 N ATOM 1304 CA TYR A 81 -3.074 -7.385 0.262 1.00 62.51 C ATOM 1305 C TYR A 81 -3.159 -6.710 1.645 1.00 73.32 C ATOM 1306 O TYR A 81 -4.021 -5.864 1.882 1.00 64.00 O ATOM 1307 CB TYR A 81 -2.858 -6.336 -0.842 1.00 43.41 C ATOM 1308 CG TYR A 81 -1.553 -5.566 -0.741 1.00 12.21 C ATOM 1309 CD1 TYR A 81 -0.331 -6.230 -0.689 1.00 23.20 C ATOM 1310 CD2 TYR A 81 -1.541 -4.173 -0.709 1.00 44.15 C ATOM 1311 CE1 TYR A 81 0.859 -5.532 -0.608 1.00 53.35 C ATOM 1312 CE2 TYR A 81 -0.355 -3.469 -0.631 1.00 74.13 C ATOM 1313 CZ TYR A 81 0.842 -4.151 -0.580 1.00 22.12 C ATOM 1314 OH TYR A 81 2.028 -3.452 -0.501 1.00 14.21 O ATOM 0 H TYR A 81 -5.079 -7.562 -0.331 1.00 62.03 H new ATOM 0 HA TYR A 81 -2.226 -8.069 0.279 1.00 62.51 H new ATOM 0 HB2 TYR A 81 -2.895 -6.835 -1.810 1.00 43.41 H new ATOM 0 HB3 TYR A 81 -3.685 -5.627 -0.817 1.00 43.41 H new ATOM 0 HD1 TYR A 81 -0.312 -7.310 -0.712 1.00 23.20 H new ATOM 0 HD2 TYR A 81 -2.476 -3.634 -0.746 1.00 44.15 H new ATOM 0 HE1 TYR A 81 1.798 -6.064 -0.567 1.00 53.35 H new ATOM 0 HE2 TYR A 81 -0.365 -2.389 -0.610 1.00 74.13 H new ATOM 0 HH TYR A 81 1.929 -2.588 -0.952 1.00 14.21 H new ATOM 1324 N ARG A 82 -2.267 -7.099 2.556 1.00 34.13 N ATOM 1325 CA ARG A 82 -2.285 -6.597 3.942 1.00 74.32 C ATOM 1326 C ARG A 82 -1.099 -5.649 4.217 1.00 52.10 C ATOM 1327 O ARG A 82 0.063 -6.040 4.096 1.00 33.53 O ATOM 1328 CB ARG A 82 -2.247 -7.785 4.919 1.00 44.53 C ATOM 1329 CG ARG A 82 -3.311 -8.847 4.636 1.00 12.14 C ATOM 1330 CD ARG A 82 -3.173 -10.065 5.552 1.00 13.53 C ATOM 1331 NE ARG A 82 -4.161 -11.106 5.244 1.00 5.50 N ATOM 1332 CZ ARG A 82 -4.002 -12.374 5.525 1.00 72.12 C ATOM 1333 NH1 ARG A 82 -2.926 -12.793 6.102 1.00 31.33 N ATOM 1334 NH2 ARG A 82 -4.928 -13.226 5.234 1.00 62.34 N ATOM 0 H ARG A 82 -1.517 -7.763 2.364 1.00 34.13 H new ATOM 0 HA ARG A 82 -3.204 -6.029 4.087 1.00 74.32 H new ATOM 0 HB2 ARG A 82 -1.262 -8.249 4.875 1.00 44.53 H new ATOM 0 HB3 ARG A 82 -2.379 -7.413 5.935 1.00 44.53 H new ATOM 0 HG2 ARG A 82 -4.301 -8.409 4.764 1.00 12.14 H new ATOM 0 HG3 ARG A 82 -3.235 -9.166 3.597 1.00 12.14 H new ATOM 0 HD2 ARG A 82 -2.169 -10.479 5.454 1.00 13.53 H new ATOM 0 HD3 ARG A 82 -3.289 -9.752 6.590 1.00 13.53 H new ATOM 0 HE ARG A 82 -5.025 -10.823 4.782 1.00 5.50 H new ATOM 0 HH11 ARG A 82 -2.187 -12.133 6.344 1.00 31.33 H new ATOM 0 HH12 ARG A 82 -2.815 -13.784 6.316 1.00 31.33 H new ATOM 0 HH21 ARG A 82 -5.787 -12.911 4.783 1.00 62.34 H new ATOM 0 HH22 ARG A 82 -4.800 -14.214 5.455 1.00 62.34 H new ATOM 1348 N VAL A 83 -1.402 -4.406 4.592 1.00 54.21 N ATOM 1349 CA VAL A 83 -0.372 -3.392 4.875 1.00 22.51 C ATOM 1350 C VAL A 83 -0.297 -3.062 6.379 1.00 23.31 C ATOM 1351 O VAL A 83 -1.315 -3.039 7.063 1.00 42.41 O ATOM 1352 CB VAL A 83 -0.659 -2.084 4.092 1.00 2.32 C ATOM 1353 CG1 VAL A 83 0.444 -1.051 4.324 1.00 43.13 C ATOM 1354 CG2 VAL A 83 -0.835 -2.373 2.603 1.00 55.54 C ATOM 0 H VAL A 83 -2.358 -4.070 4.709 1.00 54.21 H new ATOM 0 HA VAL A 83 0.582 -3.813 4.557 1.00 22.51 H new ATOM 0 HB VAL A 83 -1.592 -1.663 4.468 1.00 2.32 H new ATOM 0 HG11 VAL A 83 0.217 -0.144 3.763 1.00 43.13 H new ATOM 0 HG12 VAL A 83 0.504 -0.815 5.386 1.00 43.13 H new ATOM 0 HG13 VAL A 83 1.398 -1.456 3.988 1.00 43.13 H new ATOM 0 HG21 VAL A 83 -1.035 -1.442 2.073 1.00 55.54 H new ATOM 0 HG22 VAL A 83 0.075 -2.826 2.210 1.00 55.54 H new ATOM 0 HG23 VAL A 83 -1.671 -3.058 2.462 1.00 55.54 H new ATOM 1364 N ALA A 84 0.912 -2.798 6.881 1.00 22.35 N ATOM 1365 CA ALA A 84 1.113 -2.421 8.292 1.00 42.44 C ATOM 1366 C ALA A 84 2.296 -1.448 8.452 1.00 55.21 C ATOM 1367 O ALA A 84 3.342 -1.621 7.819 1.00 25.35 O ATOM 1368 CB ALA A 84 1.328 -3.669 9.145 1.00 74.10 C ATOM 0 H ALA A 84 1.772 -2.837 6.334 1.00 22.35 H new ATOM 0 HA ALA A 84 0.214 -1.908 8.635 1.00 42.44 H new ATOM 0 HB1 ALA A 84 1.475 -3.378 10.185 1.00 74.10 H new ATOM 0 HB2 ALA A 84 0.454 -4.316 9.070 1.00 74.10 H new ATOM 0 HB3 ALA A 84 2.208 -4.205 8.790 1.00 74.10 H new ATOM 1374 N ALA A 85 2.135 -0.430 9.306 1.00 34.44 N ATOM 1375 CA ALA A 85 3.181 0.589 9.497 1.00 34.34 C ATOM 1376 C ALA A 85 3.055 1.333 10.845 1.00 1.51 C ATOM 1377 O ALA A 85 2.089 1.158 11.584 1.00 74.04 O ATOM 1378 CB ALA A 85 3.147 1.590 8.344 1.00 13.14 C ATOM 0 H ALA A 85 1.299 -0.288 9.873 1.00 34.44 H new ATOM 0 HA ALA A 85 4.137 0.066 9.511 1.00 34.34 H new ATOM 0 HB1 ALA A 85 3.923 2.341 8.491 1.00 13.14 H new ATOM 0 HB2 ALA A 85 3.321 1.068 7.403 1.00 13.14 H new ATOM 0 HB3 ALA A 85 2.172 2.077 8.313 1.00 13.14 H new ATOM 1384 N ARG A 86 4.060 2.161 11.147 1.00 42.20 N ATOM 1385 CA ARG A 86 4.077 3.007 12.350 1.00 13.03 C ATOM 1386 C ARG A 86 4.400 4.467 11.990 1.00 10.22 C ATOM 1387 O ARG A 86 4.992 4.745 10.944 1.00 3.20 O ATOM 1388 CB ARG A 86 5.112 2.494 13.368 1.00 11.21 C ATOM 1389 CG ARG A 86 4.661 1.273 14.163 1.00 35.15 C ATOM 1390 CD ARG A 86 5.683 0.885 15.230 1.00 4.44 C ATOM 1391 NE ARG A 86 5.131 -0.050 16.211 1.00 13.22 N ATOM 1392 CZ ARG A 86 4.804 0.278 17.437 1.00 14.03 C ATOM 1393 NH1 ARG A 86 4.963 1.493 17.860 1.00 51.14 N ATOM 1394 NH2 ARG A 86 4.320 -0.616 18.238 1.00 22.43 N ATOM 0 H ARG A 86 4.890 2.266 10.563 1.00 42.20 H new ATOM 0 HA ARG A 86 3.084 2.960 12.796 1.00 13.03 H new ATOM 0 HB2 ARG A 86 6.033 2.248 12.839 1.00 11.21 H new ATOM 0 HB3 ARG A 86 5.349 3.299 14.064 1.00 11.21 H new ATOM 0 HG2 ARG A 86 3.702 1.481 14.637 1.00 35.15 H new ATOM 0 HG3 ARG A 86 4.506 0.434 13.485 1.00 35.15 H new ATOM 0 HD2 ARG A 86 6.553 0.435 14.751 1.00 4.44 H new ATOM 0 HD3 ARG A 86 6.030 1.783 15.742 1.00 4.44 H new ATOM 0 HE ARG A 86 4.992 -1.018 15.922 1.00 13.22 H new ATOM 0 HH11 ARG A 86 5.346 2.204 17.237 1.00 51.14 H new ATOM 0 HH12 ARG A 86 4.705 1.738 18.816 1.00 51.14 H new ATOM 0 HH21 ARG A 86 4.193 -1.575 17.915 1.00 22.43 H new ATOM 0 HH22 ARG A 86 4.065 -0.361 19.192 1.00 22.43 H new ATOM 1408 N LEU A 87 4.036 5.395 12.878 1.00 3.21 N ATOM 1409 CA LEU A 87 4.259 6.829 12.643 1.00 34.14 C ATOM 1410 C LEU A 87 5.021 7.473 13.821 1.00 72.22 C ATOM 1411 O LEU A 87 4.448 7.755 14.879 1.00 42.45 O ATOM 1412 CB LEU A 87 2.900 7.524 12.407 1.00 33.42 C ATOM 1413 CG LEU A 87 2.940 8.875 11.662 1.00 33.55 C ATOM 1414 CD1 LEU A 87 1.557 9.217 11.106 1.00 13.34 C ATOM 1415 CD2 LEU A 87 3.440 10.001 12.570 1.00 60.14 C ATOM 0 H LEU A 87 3.585 5.182 13.768 1.00 3.21 H new ATOM 0 HA LEU A 87 4.879 6.954 11.755 1.00 34.14 H new ATOM 0 HB2 LEU A 87 2.261 6.843 11.845 1.00 33.42 H new ATOM 0 HB3 LEU A 87 2.424 7.682 13.375 1.00 33.42 H new ATOM 0 HG LEU A 87 3.642 8.777 10.834 1.00 33.55 H new ATOM 0 HD11 LEU A 87 1.601 10.172 10.583 1.00 13.34 H new ATOM 0 HD12 LEU A 87 1.241 8.438 10.412 1.00 13.34 H new ATOM 0 HD13 LEU A 87 0.842 9.285 11.926 1.00 13.34 H new ATOM 0 HD21 LEU A 87 3.455 10.938 12.013 1.00 60.14 H new ATOM 0 HD22 LEU A 87 2.774 10.100 13.428 1.00 60.14 H new ATOM 0 HD23 LEU A 87 4.447 9.769 12.917 1.00 60.14 H new ATOM 1427 N LEU A 88 6.324 7.684 13.631 1.00 13.33 N ATOM 1428 CA LEU A 88 7.186 8.293 14.657 1.00 5.40 C ATOM 1429 C LEU A 88 7.501 9.759 14.312 1.00 34.01 C ATOM 1430 O LEU A 88 7.010 10.289 13.315 1.00 4.11 O ATOM 1431 CB LEU A 88 8.506 7.506 14.797 1.00 51.13 C ATOM 1432 CG LEU A 88 8.368 5.993 15.081 1.00 10.25 C ATOM 1433 CD1 LEU A 88 7.992 5.221 13.817 1.00 14.41 C ATOM 1434 CD2 LEU A 88 9.655 5.433 15.683 1.00 63.22 C ATOM 0 H LEU A 88 6.813 7.441 12.770 1.00 13.33 H new ATOM 0 HA LEU A 88 6.646 8.260 15.603 1.00 5.40 H new ATOM 0 HB2 LEU A 88 9.080 7.632 13.879 1.00 51.13 H new ATOM 0 HB3 LEU A 88 9.089 7.954 15.601 1.00 51.13 H new ATOM 0 HG LEU A 88 7.563 5.867 15.805 1.00 10.25 H new ATOM 0 HD11 LEU A 88 7.903 4.160 14.051 1.00 14.41 H new ATOM 0 HD12 LEU A 88 7.040 5.589 13.435 1.00 14.41 H new ATOM 0 HD13 LEU A 88 8.765 5.362 13.061 1.00 14.41 H new ATOM 0 HD21 LEU A 88 9.533 4.367 15.874 1.00 63.22 H new ATOM 0 HD22 LEU A 88 10.479 5.585 14.986 1.00 63.22 H new ATOM 0 HD23 LEU A 88 9.872 5.947 16.619 1.00 63.22 H new ATOM 1446 N ASP A 89 8.317 10.412 15.139 1.00 53.22 N ATOM 1447 CA ASP A 89 8.772 11.783 14.863 1.00 11.52 C ATOM 1448 C ASP A 89 10.295 11.820 14.629 1.00 42.40 C ATOM 1449 O ASP A 89 10.956 10.781 14.618 1.00 55.13 O ATOM 1450 CB ASP A 89 8.384 12.713 16.024 1.00 63.40 C ATOM 1451 CG ASP A 89 9.182 12.460 17.296 1.00 52.12 C ATOM 1452 OD1 ASP A 89 9.654 11.325 17.507 1.00 10.34 O ATOM 1453 OD2 ASP A 89 9.357 13.410 18.087 1.00 35.30 O ATOM 0 H ASP A 89 8.679 10.017 16.007 1.00 53.22 H new ATOM 0 HA ASP A 89 8.282 12.132 13.954 1.00 11.52 H new ATOM 0 HB2 ASP A 89 8.528 13.748 15.714 1.00 63.40 H new ATOM 0 HB3 ASP A 89 7.323 12.589 16.239 1.00 63.40 H new ATOM 1458 N ALA A 90 10.851 13.021 14.468 1.00 50.23 N ATOM 1459 CA ALA A 90 12.300 13.189 14.246 1.00 2.25 C ATOM 1460 C ALA A 90 13.146 12.671 15.426 1.00 55.35 C ATOM 1461 O ALA A 90 14.369 12.556 15.325 1.00 52.40 O ATOM 1462 CB ALA A 90 12.619 14.655 13.981 1.00 23.31 C ATOM 0 H ALA A 90 10.326 13.895 14.486 1.00 50.23 H new ATOM 0 HA ALA A 90 12.563 12.588 13.375 1.00 2.25 H new ATOM 0 HB1 ALA A 90 13.691 14.771 13.818 1.00 23.31 H new ATOM 0 HB2 ALA A 90 12.079 14.991 13.096 1.00 23.31 H new ATOM 0 HB3 ALA A 90 12.316 15.254 14.840 1.00 23.31 H new ATOM 1468 N HIS A 91 12.492 12.366 16.547 1.00 75.41 N ATOM 1469 CA HIS A 91 13.179 11.856 17.739 1.00 12.11 C ATOM 1470 C HIS A 91 13.038 10.327 17.846 1.00 62.22 C ATOM 1471 O HIS A 91 13.383 9.731 18.870 1.00 11.22 O ATOM 1472 CB HIS A 91 12.606 12.531 18.991 1.00 22.42 C ATOM 1473 CG HIS A 91 12.682 14.031 18.956 1.00 31.33 C ATOM 1474 ND1 HIS A 91 13.582 14.757 19.702 1.00 32.42 N ATOM 1475 CD2 HIS A 91 11.961 14.945 18.261 1.00 10.40 C ATOM 1476 CE1 HIS A 91 13.412 16.043 19.473 1.00 32.13 C ATOM 1477 NE2 HIS A 91 12.435 16.185 18.605 1.00 32.11 N ATOM 0 H HIS A 91 11.483 12.463 16.657 1.00 75.41 H new ATOM 0 HA HIS A 91 14.240 12.090 17.655 1.00 12.11 H new ATOM 0 HB2 HIS A 91 11.565 12.231 19.110 1.00 22.42 H new ATOM 0 HB3 HIS A 91 13.144 12.169 19.867 1.00 22.42 H new ATOM 0 HD2 HIS A 91 11.162 14.735 17.566 1.00 10.40 H new ATOM 0 HE1 HIS A 91 13.979 16.845 19.922 1.00 32.13 H new ATOM 0 HE2 HIS A 91 12.086 17.074 18.246 1.00 32.11 H new ATOM 1486 N ASN A 92 12.523 9.709 16.776 1.00 62.30 N ATOM 1487 CA ASN A 92 12.322 8.250 16.703 1.00 30.45 C ATOM 1488 C ASN A 92 11.345 7.743 17.781 1.00 33.32 C ATOM 1489 O ASN A 92 11.373 6.568 18.166 1.00 4.03 O ATOM 1490 CB ASN A 92 13.661 7.511 16.806 1.00 51.42 C ATOM 1491 CG ASN A 92 14.644 7.935 15.728 1.00 32.25 C ATOM 1492 OD1 ASN A 92 15.425 8.862 15.912 1.00 4.41 O ATOM 1493 ND2 ASN A 92 14.614 7.266 14.591 1.00 44.25 N ATOM 0 H ASN A 92 12.232 10.204 15.933 1.00 62.30 H new ATOM 0 HA ASN A 92 11.875 8.038 15.732 1.00 30.45 H new ATOM 0 HB2 ASN A 92 14.100 7.696 17.786 1.00 51.42 H new ATOM 0 HB3 ASN A 92 13.487 6.438 16.732 1.00 51.42 H new ATOM 0 HD21 ASN A 92 15.252 7.516 13.835 1.00 44.25 H new ATOM 0 HD22 ASN A 92 13.953 6.499 14.468 1.00 44.25 H new ATOM 1500 N ALA A 93 10.469 8.628 18.245 1.00 41.40 N ATOM 1501 CA ALA A 93 9.423 8.263 19.199 1.00 43.52 C ATOM 1502 C ALA A 93 8.066 8.164 18.489 1.00 13.35 C ATOM 1503 O ALA A 93 7.667 9.085 17.773 1.00 15.13 O ATOM 1504 CB ALA A 93 9.362 9.284 20.330 1.00 52.52 C ATOM 0 H ALA A 93 10.462 9.611 17.974 1.00 41.40 H new ATOM 0 HA ALA A 93 9.661 7.288 19.625 1.00 43.52 H new ATOM 0 HB1 ALA A 93 8.579 9.001 21.034 1.00 52.52 H new ATOM 0 HB2 ALA A 93 10.321 9.313 20.847 1.00 52.52 H new ATOM 0 HB3 ALA A 93 9.142 10.269 19.919 1.00 52.52 H new ATOM 1510 N GLU A 94 7.366 7.043 18.669 1.00 52.42 N ATOM 1511 CA GLU A 94 6.065 6.841 18.022 1.00 42.22 C ATOM 1512 C GLU A 94 5.064 7.944 18.416 1.00 35.40 C ATOM 1513 O GLU A 94 4.505 7.945 19.514 1.00 41.21 O ATOM 1514 CB GLU A 94 5.514 5.438 18.340 1.00 41.25 C ATOM 1515 CG GLU A 94 5.383 5.127 19.830 1.00 53.01 C ATOM 1516 CD GLU A 94 4.977 3.684 20.098 1.00 31.31 C ATOM 1517 OE1 GLU A 94 3.859 3.294 19.709 1.00 14.43 O ATOM 1518 OE2 GLU A 94 5.777 2.929 20.688 1.00 1.51 O ATOM 0 H GLU A 94 7.674 6.265 19.253 1.00 52.42 H new ATOM 0 HA GLU A 94 6.209 6.909 16.944 1.00 42.22 H new ATOM 0 HB2 GLU A 94 4.535 5.333 17.873 1.00 41.25 H new ATOM 0 HB3 GLU A 94 6.167 4.694 17.883 1.00 41.25 H new ATOM 0 HG2 GLU A 94 6.333 5.330 20.324 1.00 53.01 H new ATOM 0 HG3 GLU A 94 4.645 5.796 20.273 1.00 53.01 H new ATOM 1525 N LEU A 95 4.869 8.899 17.510 1.00 61.41 N ATOM 1526 CA LEU A 95 3.998 10.052 17.754 1.00 54.22 C ATOM 1527 C LEU A 95 2.522 9.619 17.776 1.00 74.03 C ATOM 1528 O LEU A 95 1.743 10.049 18.631 1.00 12.23 O ATOM 1529 CB LEU A 95 4.245 11.115 16.660 1.00 2.41 C ATOM 1530 CG LEU A 95 3.888 12.576 17.015 1.00 31.12 C ATOM 1531 CD1 LEU A 95 2.382 12.767 17.193 1.00 40.31 C ATOM 1532 CD2 LEU A 95 4.642 13.021 18.269 1.00 31.21 C ATOM 0 H LEU A 95 5.307 8.898 16.589 1.00 61.41 H new ATOM 0 HA LEU A 95 4.230 10.483 18.728 1.00 54.22 H new ATOM 0 HB2 LEU A 95 5.299 11.080 16.384 1.00 2.41 H new ATOM 0 HB3 LEU A 95 3.675 10.831 15.776 1.00 2.41 H new ATOM 0 HG LEU A 95 4.197 13.203 16.179 1.00 31.12 H new ATOM 0 HD11 LEU A 95 2.174 13.808 17.442 1.00 40.31 H new ATOM 0 HD12 LEU A 95 1.870 12.506 16.267 1.00 40.31 H new ATOM 0 HD13 LEU A 95 2.026 12.124 17.998 1.00 40.31 H new ATOM 0 HD21 LEU A 95 4.379 14.052 18.505 1.00 31.21 H new ATOM 0 HD22 LEU A 95 4.370 12.377 19.105 1.00 31.21 H new ATOM 0 HD23 LEU A 95 5.715 12.952 18.092 1.00 31.21 H new ATOM 1544 N ALA A 96 2.153 8.757 16.835 1.00 0.41 N ATOM 1545 CA ALA A 96 0.784 8.251 16.739 1.00 72.33 C ATOM 1546 C ALA A 96 0.757 6.800 16.235 1.00 54.33 C ATOM 1547 O ALA A 96 1.558 6.414 15.379 1.00 41.32 O ATOM 1548 CB ALA A 96 -0.045 9.150 15.828 1.00 3.31 C ATOM 0 H ALA A 96 2.785 8.391 16.123 1.00 0.41 H new ATOM 0 HA ALA A 96 0.349 8.261 17.738 1.00 72.33 H new ATOM 0 HB1 ALA A 96 -1.062 8.764 15.764 1.00 3.31 H new ATOM 0 HB2 ALA A 96 -0.066 10.161 16.235 1.00 3.31 H new ATOM 0 HB3 ALA A 96 0.399 9.169 14.833 1.00 3.31 H new ATOM 1554 N SER A 97 -0.162 6.001 16.771 1.00 71.04 N ATOM 1555 CA SER A 97 -0.297 4.596 16.363 1.00 41.33 C ATOM 1556 C SER A 97 -1.031 4.476 15.021 1.00 42.04 C ATOM 1557 O SER A 97 -2.162 4.945 14.872 1.00 13.22 O ATOM 1558 CB SER A 97 -1.044 3.788 17.431 1.00 52.25 C ATOM 1559 OG SER A 97 -1.178 2.424 17.045 1.00 35.22 O ATOM 0 H SER A 97 -0.825 6.297 17.487 1.00 71.04 H new ATOM 0 HA SER A 97 0.709 4.192 16.248 1.00 41.33 H new ATOM 0 HB2 SER A 97 -0.508 3.850 18.378 1.00 52.25 H new ATOM 0 HB3 SER A 97 -2.031 4.221 17.594 1.00 52.25 H new ATOM 0 HG SER A 97 -1.656 1.932 17.744 1.00 35.22 H new ATOM 1565 N LEU A 98 -0.385 3.842 14.049 1.00 11.00 N ATOM 1566 CA LEU A 98 -0.965 3.663 12.715 1.00 54.13 C ATOM 1567 C LEU A 98 -1.453 2.216 12.528 1.00 21.42 C ATOM 1568 O LEU A 98 -0.727 1.264 12.814 1.00 74.53 O ATOM 1569 CB LEU A 98 0.073 4.033 11.641 1.00 22.21 C ATOM 1570 CG LEU A 98 -0.447 4.081 10.194 1.00 24.31 C ATOM 1571 CD1 LEU A 98 -1.633 5.036 10.079 1.00 61.52 C ATOM 1572 CD2 LEU A 98 0.673 4.498 9.241 1.00 43.42 C ATOM 0 H LEU A 98 0.546 3.440 14.157 1.00 11.00 H new ATOM 0 HA LEU A 98 -1.826 4.324 12.611 1.00 54.13 H new ATOM 0 HB2 LEU A 98 0.492 5.008 11.889 1.00 22.21 H new ATOM 0 HB3 LEU A 98 0.890 3.313 11.690 1.00 22.21 H new ATOM 0 HG LEU A 98 -0.786 3.083 9.916 1.00 24.31 H new ATOM 0 HD11 LEU A 98 -1.986 5.055 9.048 1.00 61.52 H new ATOM 0 HD12 LEU A 98 -2.438 4.697 10.731 1.00 61.52 H new ATOM 0 HD13 LEU A 98 -1.323 6.038 10.375 1.00 61.52 H new ATOM 0 HD21 LEU A 98 0.290 4.528 8.221 1.00 43.42 H new ATOM 0 HD22 LEU A 98 1.039 5.486 9.520 1.00 43.42 H new ATOM 0 HD23 LEU A 98 1.489 3.778 9.302 1.00 43.42 H new ATOM 1584 N GLN A 99 -2.689 2.060 12.059 1.00 65.41 N ATOM 1585 CA GLN A 99 -3.314 0.737 11.938 1.00 71.54 C ATOM 1586 C GLN A 99 -2.819 -0.033 10.703 1.00 4.52 C ATOM 1587 O GLN A 99 -1.984 0.451 9.935 1.00 52.20 O ATOM 1588 CB GLN A 99 -4.839 0.882 11.855 1.00 42.53 C ATOM 1589 CG GLN A 99 -5.325 1.537 10.563 1.00 44.54 C ATOM 1590 CD GLN A 99 -6.839 1.553 10.442 1.00 51.33 C ATOM 1591 OE1 GLN A 99 -7.499 2.500 10.856 1.00 23.23 O ATOM 1592 NE2 GLN A 99 -7.402 0.501 9.880 1.00 22.53 N ATOM 0 H GLN A 99 -3.282 2.832 11.755 1.00 65.41 H new ATOM 0 HA GLN A 99 -3.032 0.171 12.825 1.00 71.54 H new ATOM 0 HB2 GLN A 99 -5.294 -0.104 11.945 1.00 42.53 H new ATOM 0 HB3 GLN A 99 -5.186 1.472 12.704 1.00 42.53 H new ATOM 0 HG2 GLN A 99 -4.951 2.560 10.517 1.00 44.54 H new ATOM 0 HG3 GLN A 99 -4.903 1.005 9.711 1.00 44.54 H new ATOM 0 HE21 GLN A 99 -6.823 -0.270 9.546 1.00 22.53 H new ATOM 0 HE22 GLN A 99 -8.416 0.458 9.779 1.00 22.53 H new ATOM 1601 N GLU A 100 -3.351 -1.240 10.522 1.00 1.11 N ATOM 1602 CA GLU A 100 -3.103 -2.024 9.312 1.00 61.41 C ATOM 1603 C GLU A 100 -4.227 -1.804 8.288 1.00 35.14 C ATOM 1604 O GLU A 100 -5.365 -1.482 8.651 1.00 1.34 O ATOM 1605 CB GLU A 100 -2.946 -3.519 9.659 1.00 23.15 C ATOM 1606 CG GLU A 100 -4.121 -4.134 10.421 1.00 72.31 C ATOM 1607 CD GLU A 100 -5.248 -4.633 9.526 1.00 32.32 C ATOM 1608 OE1 GLU A 100 -4.994 -5.520 8.687 1.00 64.04 O ATOM 1609 OE2 GLU A 100 -6.396 -4.166 9.685 1.00 21.01 O ATOM 0 H GLU A 100 -3.959 -1.699 11.200 1.00 1.11 H new ATOM 0 HA GLU A 100 -2.170 -1.685 8.862 1.00 61.41 H new ATOM 0 HB2 GLU A 100 -2.800 -4.077 8.734 1.00 23.15 H new ATOM 0 HB3 GLU A 100 -2.041 -3.645 10.254 1.00 23.15 H new ATOM 0 HG2 GLU A 100 -3.755 -4.965 11.024 1.00 72.31 H new ATOM 0 HG3 GLU A 100 -4.521 -3.392 11.112 1.00 72.31 H new ATOM 1616 N ILE A 101 -3.902 -1.954 7.009 1.00 1.33 N ATOM 1617 CA ILE A 101 -4.882 -1.762 5.935 1.00 2.32 C ATOM 1618 C ILE A 101 -5.023 -3.040 5.097 1.00 64.53 C ATOM 1619 O ILE A 101 -4.092 -3.445 4.397 1.00 13.13 O ATOM 1620 CB ILE A 101 -4.486 -0.572 5.023 1.00 61.40 C ATOM 1621 CG1 ILE A 101 -4.194 0.674 5.880 1.00 50.22 C ATOM 1622 CG2 ILE A 101 -5.593 -0.281 4.001 1.00 54.43 C ATOM 1623 CD1 ILE A 101 -3.602 1.828 5.103 1.00 53.25 C ATOM 0 H ILE A 101 -2.969 -2.208 6.686 1.00 1.33 H new ATOM 0 HA ILE A 101 -5.842 -1.535 6.399 1.00 2.32 H new ATOM 0 HB ILE A 101 -3.583 -0.837 4.474 1.00 61.40 H new ATOM 0 HG12 ILE A 101 -5.120 1.003 6.352 1.00 50.22 H new ATOM 0 HG13 ILE A 101 -3.508 0.399 6.681 1.00 50.22 H new ATOM 0 HG21 ILE A 101 -5.295 0.557 3.371 1.00 54.43 H new ATOM 0 HG22 ILE A 101 -5.756 -1.162 3.380 1.00 54.43 H new ATOM 0 HG23 ILE A 101 -6.516 -0.031 4.525 1.00 54.43 H new ATOM 0 HD11 ILE A 101 -3.425 2.667 5.776 1.00 53.25 H new ATOM 0 HD12 ILE A 101 -2.659 1.518 4.654 1.00 53.25 H new ATOM 0 HD13 ILE A 101 -4.295 2.132 4.319 1.00 53.25 H new ATOM 1635 N ARG A 102 -6.188 -3.673 5.180 1.00 24.12 N ATOM 1636 CA ARG A 102 -6.410 -4.976 4.549 1.00 73.33 C ATOM 1637 C ARG A 102 -7.327 -4.854 3.315 1.00 34.35 C ATOM 1638 O ARG A 102 -8.515 -4.548 3.439 1.00 14.31 O ATOM 1639 CB ARG A 102 -7.011 -5.933 5.591 1.00 75.14 C ATOM 1640 CG ARG A 102 -6.718 -7.406 5.336 1.00 54.53 C ATOM 1641 CD ARG A 102 -7.089 -8.259 6.547 1.00 1.03 C ATOM 1642 NE ARG A 102 -6.470 -7.752 7.774 1.00 71.23 N ATOM 1643 CZ ARG A 102 -6.625 -8.280 8.960 1.00 44.44 C ATOM 1644 NH1 ARG A 102 -7.303 -9.372 9.120 1.00 34.31 N ATOM 1645 NH2 ARG A 102 -6.077 -7.711 9.985 1.00 1.21 N ATOM 0 H ARG A 102 -6.998 -3.306 5.679 1.00 24.12 H new ATOM 0 HA ARG A 102 -5.457 -5.371 4.197 1.00 73.33 H new ATOM 0 HB2 ARG A 102 -6.629 -5.664 6.576 1.00 75.14 H new ATOM 0 HB3 ARG A 102 -8.091 -5.789 5.618 1.00 75.14 H new ATOM 0 HG2 ARG A 102 -7.277 -7.745 4.464 1.00 54.53 H new ATOM 0 HG3 ARG A 102 -5.660 -7.535 5.107 1.00 54.53 H new ATOM 0 HD2 ARG A 102 -8.173 -8.273 6.665 1.00 1.03 H new ATOM 0 HD3 ARG A 102 -6.773 -9.288 6.378 1.00 1.03 H new ATOM 0 HE ARG A 102 -5.875 -6.927 7.698 1.00 71.23 H new ATOM 0 HH11 ARG A 102 -7.725 -9.833 8.314 1.00 34.31 H new ATOM 0 HH12 ARG A 102 -7.415 -9.771 10.052 1.00 34.31 H new ATOM 0 HH21 ARG A 102 -5.530 -6.859 9.863 1.00 1.21 H new ATOM 0 HH22 ARG A 102 -6.192 -8.115 10.915 1.00 1.21 H new ATOM 1659 N LEU A 103 -6.764 -5.086 2.129 1.00 22.13 N ATOM 1660 CA LEU A 103 -7.506 -4.957 0.862 1.00 70.23 C ATOM 1661 C LEU A 103 -7.722 -6.325 0.187 1.00 71.42 C ATOM 1662 O LEU A 103 -6.841 -7.180 0.214 1.00 41.00 O ATOM 1663 CB LEU A 103 -6.730 -4.037 -0.095 1.00 14.54 C ATOM 1664 CG LEU A 103 -6.396 -2.639 0.451 1.00 51.20 C ATOM 1665 CD1 LEU A 103 -5.503 -1.876 -0.527 1.00 52.25 C ATOM 1666 CD2 LEU A 103 -7.671 -1.850 0.746 1.00 2.21 C ATOM 0 H LEU A 103 -5.790 -5.366 2.013 1.00 22.13 H new ATOM 0 HA LEU A 103 -8.484 -4.532 1.088 1.00 70.23 H new ATOM 0 HB2 LEU A 103 -5.799 -4.532 -0.370 1.00 14.54 H new ATOM 0 HB3 LEU A 103 -7.312 -3.921 -1.010 1.00 14.54 H new ATOM 0 HG LEU A 103 -5.851 -2.763 1.387 1.00 51.20 H new ATOM 0 HD11 LEU A 103 -5.279 -0.890 -0.121 1.00 52.25 H new ATOM 0 HD12 LEU A 103 -4.574 -2.426 -0.677 1.00 52.25 H new ATOM 0 HD13 LEU A 103 -6.018 -1.767 -1.481 1.00 52.25 H new ATOM 0 HD21 LEU A 103 -7.408 -0.865 1.131 1.00 2.21 H new ATOM 0 HD22 LEU A 103 -8.250 -1.739 -0.171 1.00 2.21 H new ATOM 0 HD23 LEU A 103 -8.265 -2.383 1.488 1.00 2.21 H new ATOM 1678 N THR A 104 -8.896 -6.528 -0.418 1.00 51.23 N ATOM 1679 CA THR A 104 -9.189 -7.764 -1.175 1.00 3.30 C ATOM 1680 C THR A 104 -9.780 -7.451 -2.557 1.00 10.34 C ATOM 1681 O THR A 104 -10.788 -6.760 -2.661 1.00 35.25 O ATOM 1682 CB THR A 104 -10.186 -8.690 -0.429 1.00 0.41 C ATOM 1683 OG1 THR A 104 -11.428 -8.004 -0.193 1.00 60.45 O ATOM 1684 CG2 THR A 104 -9.614 -9.170 0.896 1.00 13.12 C ATOM 0 H THR A 104 -9.664 -5.856 -0.402 1.00 51.23 H new ATOM 0 HA THR A 104 -8.232 -8.275 -1.282 1.00 3.30 H new ATOM 0 HB THR A 104 -10.364 -9.558 -1.064 1.00 0.41 H new ATOM 0 HG1 THR A 104 -11.627 -7.417 -0.952 1.00 60.45 H new ATOM 0 HG21 THR A 104 -10.338 -9.816 1.392 1.00 13.12 H new ATOM 0 HG22 THR A 104 -8.695 -9.727 0.715 1.00 13.12 H new ATOM 0 HG23 THR A 104 -9.399 -8.311 1.532 1.00 13.12 H new ATOM 1692 N ARG A 105 -9.161 -7.974 -3.614 1.00 4.21 N ATOM 1693 CA ARG A 105 -9.656 -7.753 -4.983 1.00 63.33 C ATOM 1694 C ARG A 105 -9.922 -9.091 -5.692 1.00 45.42 C ATOM 1695 O ARG A 105 -9.284 -10.098 -5.389 1.00 44.22 O ATOM 1696 CB ARG A 105 -8.655 -6.903 -5.784 1.00 72.23 C ATOM 1697 CG ARG A 105 -9.251 -6.290 -7.047 1.00 2.25 C ATOM 1698 CD ARG A 105 -8.331 -5.234 -7.661 1.00 30.30 C ATOM 1699 NE ARG A 105 -7.884 -4.244 -6.678 1.00 44.14 N ATOM 1700 CZ ARG A 105 -8.659 -3.373 -6.082 1.00 30.52 C ATOM 1701 NH1 ARG A 105 -9.926 -3.310 -6.348 1.00 14.15 N ATOM 1702 NH2 ARG A 105 -8.158 -2.555 -5.218 1.00 34.04 N ATOM 0 H ARG A 105 -8.322 -8.550 -3.556 1.00 4.21 H new ATOM 0 HA ARG A 105 -10.600 -7.211 -4.923 1.00 63.33 H new ATOM 0 HB2 ARG A 105 -8.276 -6.104 -5.146 1.00 72.23 H new ATOM 0 HB3 ARG A 105 -7.802 -7.523 -6.059 1.00 72.23 H new ATOM 0 HG2 ARG A 105 -9.438 -7.077 -7.778 1.00 2.25 H new ATOM 0 HG3 ARG A 105 -10.214 -5.838 -6.811 1.00 2.25 H new ATOM 0 HD2 ARG A 105 -7.462 -5.724 -8.100 1.00 30.30 H new ATOM 0 HD3 ARG A 105 -8.854 -4.727 -8.471 1.00 30.30 H new ATOM 0 HE ARG A 105 -6.892 -4.232 -6.439 1.00 44.14 H new ATOM 0 HH11 ARG A 105 -10.336 -3.946 -7.032 1.00 14.15 H new ATOM 0 HH12 ARG A 105 -10.513 -2.624 -5.873 1.00 14.15 H new ATOM 0 HH21 ARG A 105 -7.162 -2.589 -5.002 1.00 34.04 H new ATOM 0 HH22 ARG A 105 -8.758 -1.875 -4.752 1.00 34.04 H new ATOM 1716 N ILE A 106 -10.867 -9.100 -6.635 1.00 51.21 N ATOM 1717 CA ILE A 106 -11.295 -10.348 -7.285 1.00 22.53 C ATOM 1718 C ILE A 106 -10.735 -10.493 -8.716 1.00 75.52 C ATOM 1719 O ILE A 106 -10.962 -9.643 -9.581 1.00 71.22 O ATOM 1720 CB ILE A 106 -12.842 -10.442 -7.323 1.00 24.32 C ATOM 1721 CG1 ILE A 106 -13.429 -10.204 -5.917 1.00 3.51 C ATOM 1722 CG2 ILE A 106 -13.289 -11.796 -7.875 1.00 54.12 C ATOM 1723 CD1 ILE A 106 -12.865 -11.117 -4.844 1.00 63.35 C ATOM 0 H ILE A 106 -11.350 -8.265 -6.966 1.00 51.21 H new ATOM 0 HA ILE A 106 -10.891 -11.164 -6.686 1.00 22.53 H new ATOM 0 HB ILE A 106 -13.218 -9.666 -7.989 1.00 24.32 H new ATOM 0 HG12 ILE A 106 -13.246 -9.169 -5.630 1.00 3.51 H new ATOM 0 HG13 ILE A 106 -14.510 -10.337 -5.960 1.00 3.51 H new ATOM 0 HG21 ILE A 106 -14.378 -11.840 -7.893 1.00 54.12 H new ATOM 0 HG22 ILE A 106 -12.904 -11.921 -8.887 1.00 54.12 H new ATOM 0 HG23 ILE A 106 -12.904 -12.593 -7.239 1.00 54.12 H new ATOM 0 HD11 ILE A 106 -13.330 -10.884 -3.886 1.00 63.35 H new ATOM 0 HD12 ILE A 106 -13.071 -12.155 -5.104 1.00 63.35 H new ATOM 0 HD13 ILE A 106 -11.788 -10.969 -4.769 1.00 63.35 H new ATOM 1735 N LEU A 107 -10.019 -11.590 -8.945 1.00 73.24 N ATOM 1736 CA LEU A 107 -9.415 -11.905 -10.247 1.00 64.53 C ATOM 1737 C LEU A 107 -10.232 -13.003 -10.967 1.00 74.11 C ATOM 1738 O LEU A 107 -10.376 -14.108 -10.449 1.00 12.34 O ATOM 1739 CB LEU A 107 -7.955 -12.366 -10.002 1.00 31.42 C ATOM 1740 CG LEU A 107 -7.054 -12.610 -11.239 1.00 14.13 C ATOM 1741 CD1 LEU A 107 -7.440 -13.891 -11.983 1.00 65.55 C ATOM 1742 CD2 LEU A 107 -7.078 -11.405 -12.179 1.00 41.22 C ATOM 0 H LEU A 107 -9.837 -12.294 -8.230 1.00 73.24 H new ATOM 0 HA LEU A 107 -9.418 -11.024 -10.889 1.00 64.53 H new ATOM 0 HB2 LEU A 107 -7.469 -11.617 -9.377 1.00 31.42 H new ATOM 0 HB3 LEU A 107 -7.989 -13.290 -9.425 1.00 31.42 H new ATOM 0 HG LEU A 107 -6.035 -12.741 -10.876 1.00 14.13 H new ATOM 0 HD11 LEU A 107 -6.784 -14.024 -12.843 1.00 65.55 H new ATOM 0 HD12 LEU A 107 -7.339 -14.745 -11.314 1.00 65.55 H new ATOM 0 HD13 LEU A 107 -8.473 -13.817 -12.323 1.00 65.55 H new ATOM 0 HD21 LEU A 107 -6.438 -11.602 -13.039 1.00 41.22 H new ATOM 0 HD22 LEU A 107 -8.099 -11.229 -12.519 1.00 41.22 H new ATOM 0 HD23 LEU A 107 -6.715 -10.524 -11.650 1.00 41.22 H new ATOM 1754 N PRO A 108 -10.801 -12.713 -12.161 1.00 71.51 N ATOM 1755 CA PRO A 108 -11.519 -13.729 -12.962 1.00 2.23 C ATOM 1756 C PRO A 108 -10.560 -14.712 -13.665 1.00 45.40 C ATOM 1757 O PRO A 108 -9.703 -14.308 -14.458 1.00 31.51 O ATOM 1758 CB PRO A 108 -12.283 -12.880 -13.989 1.00 71.23 C ATOM 1759 CG PRO A 108 -11.453 -11.651 -14.155 1.00 75.43 C ATOM 1760 CD PRO A 108 -10.817 -11.386 -12.812 1.00 44.31 C ATOM 0 HA PRO A 108 -12.160 -14.362 -12.349 1.00 2.23 H new ATOM 0 HB2 PRO A 108 -12.399 -13.411 -14.934 1.00 71.23 H new ATOM 0 HB3 PRO A 108 -13.285 -12.637 -13.635 1.00 71.23 H new ATOM 0 HG2 PRO A 108 -10.693 -11.795 -14.923 1.00 75.43 H new ATOM 0 HG3 PRO A 108 -12.067 -10.806 -14.468 1.00 75.43 H new ATOM 0 HD2 PRO A 108 -9.811 -10.981 -12.919 1.00 44.31 H new ATOM 0 HD3 PRO A 108 -11.392 -10.663 -12.233 1.00 44.31 H new ATOM 1768 N PHE A 109 -10.706 -16.005 -13.375 1.00 73.32 N ATOM 1769 CA PHE A 109 -9.788 -17.022 -13.902 1.00 60.21 C ATOM 1770 C PHE A 109 -10.242 -17.569 -15.269 1.00 3.23 C ATOM 1771 O PHE A 109 -11.205 -18.332 -15.362 1.00 1.24 O ATOM 1772 CB PHE A 109 -9.648 -18.171 -12.893 1.00 71.04 C ATOM 1773 CG PHE A 109 -8.666 -19.244 -13.311 1.00 23.52 C ATOM 1774 CD1 PHE A 109 -7.305 -19.086 -13.084 1.00 52.24 C ATOM 1775 CD2 PHE A 109 -9.106 -20.410 -13.925 1.00 10.31 C ATOM 1776 CE1 PHE A 109 -6.406 -20.066 -13.462 1.00 71.50 C ATOM 1777 CE2 PHE A 109 -8.209 -21.392 -14.305 1.00 71.05 C ATOM 1778 CZ PHE A 109 -6.859 -21.220 -14.073 1.00 75.43 C ATOM 0 H PHE A 109 -11.448 -16.375 -12.780 1.00 73.32 H new ATOM 0 HA PHE A 109 -8.821 -16.543 -14.052 1.00 60.21 H new ATOM 0 HB2 PHE A 109 -9.335 -17.761 -11.933 1.00 71.04 H new ATOM 0 HB3 PHE A 109 -10.626 -18.628 -12.741 1.00 71.04 H new ATOM 0 HD1 PHE A 109 -6.945 -18.187 -12.606 1.00 52.24 H new ATOM 0 HD2 PHE A 109 -10.161 -20.551 -14.108 1.00 10.31 H new ATOM 0 HE1 PHE A 109 -5.350 -19.930 -13.280 1.00 71.50 H new ATOM 0 HE2 PHE A 109 -8.565 -22.293 -14.783 1.00 71.05 H new ATOM 0 HZ PHE A 109 -6.158 -21.986 -14.369 1.00 75.43 H new ATOM 1788 N LEU A 110 -9.539 -17.161 -16.326 1.00 43.53 N ATOM 1789 CA LEU A 110 -9.746 -17.719 -17.670 1.00 74.42 C ATOM 1790 C LEU A 110 -8.644 -18.735 -18.000 1.00 61.01 C ATOM 1791 O LEU A 110 -7.498 -18.576 -17.576 1.00 12.00 O ATOM 1792 CB LEU A 110 -9.759 -16.612 -18.744 1.00 30.14 C ATOM 1793 CG LEU A 110 -10.968 -15.656 -18.723 1.00 32.40 C ATOM 1794 CD1 LEU A 110 -10.942 -14.749 -17.494 1.00 64.14 C ATOM 1795 CD2 LEU A 110 -11.012 -14.829 -20.006 1.00 54.51 C ATOM 0 H LEU A 110 -8.817 -16.442 -16.280 1.00 43.53 H new ATOM 0 HA LEU A 110 -10.716 -18.216 -17.673 1.00 74.42 H new ATOM 0 HB2 LEU A 110 -8.851 -16.018 -18.635 1.00 30.14 H new ATOM 0 HB3 LEU A 110 -9.714 -17.086 -19.725 1.00 30.14 H new ATOM 0 HG LEU A 110 -11.874 -16.260 -18.665 1.00 32.40 H new ATOM 0 HD11 LEU A 110 -11.809 -14.088 -17.511 1.00 64.14 H new ATOM 0 HD12 LEU A 110 -10.969 -15.359 -16.591 1.00 64.14 H new ATOM 0 HD13 LEU A 110 -10.030 -14.152 -17.502 1.00 64.14 H new ATOM 0 HD21 LEU A 110 -11.871 -14.158 -19.977 1.00 54.51 H new ATOM 0 HD22 LEU A 110 -10.097 -14.243 -20.093 1.00 54.51 H new ATOM 0 HD23 LEU A 110 -11.100 -15.494 -20.865 1.00 54.51 H new ATOM 1807 N ASP A 111 -8.984 -19.777 -18.754 1.00 22.11 N ATOM 1808 CA ASP A 111 -8.004 -20.803 -19.129 1.00 64.11 C ATOM 1809 C ASP A 111 -7.567 -20.672 -20.603 1.00 55.12 C ATOM 1810 O ASP A 111 -6.375 -20.718 -20.913 1.00 31.04 O ATOM 1811 CB ASP A 111 -8.579 -22.200 -18.865 1.00 63.40 C ATOM 1812 CG ASP A 111 -7.577 -23.302 -19.158 1.00 10.15 C ATOM 1813 OD1 ASP A 111 -6.632 -23.482 -18.360 1.00 72.54 O ATOM 1814 OD2 ASP A 111 -7.726 -23.994 -20.185 1.00 61.55 O ATOM 0 H ASP A 111 -9.924 -19.937 -19.117 1.00 22.11 H new ATOM 0 HA ASP A 111 -7.117 -20.655 -18.513 1.00 64.11 H new ATOM 0 HB2 ASP A 111 -8.897 -22.269 -17.825 1.00 63.40 H new ATOM 0 HB3 ASP A 111 -9.467 -22.347 -19.480 1.00 63.40 H new ATOM 1819 N ALA A 112 -8.538 -20.504 -21.499 1.00 1.22 N ATOM 1820 CA ALA A 112 -8.261 -20.422 -22.939 1.00 33.14 C ATOM 1821 C ALA A 112 -7.522 -19.127 -23.318 1.00 21.14 C ATOM 1822 O ALA A 112 -6.555 -19.153 -24.082 1.00 22.53 O ATOM 1823 CB ALA A 112 -9.560 -20.537 -23.729 1.00 23.55 C ATOM 0 H ALA A 112 -9.525 -20.422 -21.257 1.00 1.22 H new ATOM 0 HA ALA A 112 -7.605 -21.255 -23.192 1.00 33.14 H new ATOM 0 HB1 ALA A 112 -9.344 -20.475 -24.796 1.00 23.55 H new ATOM 0 HB2 ALA A 112 -10.036 -21.493 -23.510 1.00 23.55 H new ATOM 0 HB3 ALA A 112 -10.230 -19.725 -23.447 1.00 23.55 H new ATOM 1829 N GLN A 113 -7.982 -17.999 -22.779 1.00 31.11 N ATOM 1830 CA GLN A 113 -7.394 -16.690 -23.092 1.00 73.11 C ATOM 1831 C GLN A 113 -6.128 -16.417 -22.263 1.00 33.04 C ATOM 1832 O GLN A 113 -6.208 -16.025 -21.097 1.00 11.41 O ATOM 1833 CB GLN A 113 -8.426 -15.574 -22.862 1.00 50.14 C ATOM 1834 CG GLN A 113 -9.622 -15.636 -23.808 1.00 74.52 C ATOM 1835 CD GLN A 113 -9.231 -15.438 -25.264 1.00 2.55 C ATOM 1836 OE1 GLN A 113 -8.274 -14.733 -25.577 1.00 12.23 O ATOM 1837 NE2 GLN A 113 -9.957 -16.061 -26.165 1.00 45.50 N ATOM 0 H GLN A 113 -8.761 -17.962 -22.122 1.00 31.11 H new ATOM 0 HA GLN A 113 -7.105 -16.704 -24.143 1.00 73.11 H new ATOM 0 HB2 GLN A 113 -8.784 -15.630 -21.834 1.00 50.14 H new ATOM 0 HB3 GLN A 113 -7.934 -14.608 -22.976 1.00 50.14 H new ATOM 0 HG2 GLN A 113 -10.118 -16.600 -23.697 1.00 74.52 H new ATOM 0 HG3 GLN A 113 -10.345 -14.872 -23.523 1.00 74.52 H new ATOM 0 HE21 GLN A 113 -10.745 -16.639 -25.874 1.00 45.50 H new ATOM 0 HE22 GLN A 113 -9.732 -15.966 -27.155 1.00 45.50 H new ATOM 1846 N GLU A 114 -4.961 -16.618 -22.877 1.00 21.40 N ATOM 1847 CA GLU A 114 -3.679 -16.420 -22.190 1.00 73.22 C ATOM 1848 C GLU A 114 -3.273 -14.935 -22.162 1.00 53.13 C ATOM 1849 O GLU A 114 -2.701 -14.465 -21.176 1.00 73.44 O ATOM 1850 CB GLU A 114 -2.576 -17.266 -22.847 1.00 25.50 C ATOM 1851 CG GLU A 114 -2.260 -16.878 -24.286 1.00 53.43 C ATOM 1852 CD GLU A 114 -1.162 -17.736 -24.896 1.00 31.44 C ATOM 1853 OE1 GLU A 114 0.017 -17.564 -24.518 1.00 74.54 O ATOM 1854 OE2 GLU A 114 -1.466 -18.585 -25.760 1.00 23.31 O ATOM 0 H GLU A 114 -4.875 -16.918 -23.848 1.00 21.40 H new ATOM 0 HA GLU A 114 -3.806 -16.748 -21.158 1.00 73.22 H new ATOM 0 HB2 GLU A 114 -1.667 -17.181 -22.252 1.00 25.50 H new ATOM 0 HB3 GLU A 114 -2.876 -18.314 -22.823 1.00 25.50 H new ATOM 0 HG2 GLU A 114 -3.163 -16.968 -24.889 1.00 53.43 H new ATOM 0 HG3 GLU A 114 -1.958 -15.831 -24.318 1.00 53.43 H new ATOM 1861 N LEU A 115 -3.582 -14.194 -23.232 1.00 52.02 N ATOM 1862 CA LEU A 115 -3.274 -12.754 -23.285 1.00 45.53 C ATOM 1863 C LEU A 115 -3.947 -12.003 -22.124 1.00 43.10 C ATOM 1864 O LEU A 115 -3.338 -11.138 -21.490 1.00 14.23 O ATOM 1865 CB LEU A 115 -3.698 -12.134 -24.634 1.00 23.21 C ATOM 1866 CG LEU A 115 -2.752 -12.387 -25.826 1.00 35.25 C ATOM 1867 CD1 LEU A 115 -1.332 -11.917 -25.505 1.00 31.24 C ATOM 1868 CD2 LEU A 115 -2.759 -13.855 -26.241 1.00 64.54 C ATOM 0 H LEU A 115 -4.040 -14.560 -24.067 1.00 52.02 H new ATOM 0 HA LEU A 115 -2.193 -12.652 -23.188 1.00 45.53 H new ATOM 0 HB2 LEU A 115 -4.685 -12.517 -24.892 1.00 23.21 H new ATOM 0 HB3 LEU A 115 -3.800 -11.057 -24.500 1.00 23.21 H new ATOM 0 HG LEU A 115 -3.121 -11.804 -26.670 1.00 35.25 H new ATOM 0 HD11 LEU A 115 -0.684 -12.106 -26.361 1.00 31.24 H new ATOM 0 HD12 LEU A 115 -1.343 -10.849 -25.287 1.00 31.24 H new ATOM 0 HD13 LEU A 115 -0.956 -12.460 -24.638 1.00 31.24 H new ATOM 0 HD21 LEU A 115 -2.082 -13.998 -27.083 1.00 64.54 H new ATOM 0 HD22 LEU A 115 -2.432 -14.471 -25.404 1.00 64.54 H new ATOM 0 HD23 LEU A 115 -3.768 -14.146 -26.533 1.00 64.54 H new ATOM 1880 N ALA A 116 -5.205 -12.341 -21.851 1.00 43.45 N ATOM 1881 CA ALA A 116 -5.926 -11.787 -20.700 1.00 42.23 C ATOM 1882 C ALA A 116 -5.209 -12.109 -19.379 1.00 14.41 C ATOM 1883 O ALA A 116 -5.051 -11.249 -18.512 1.00 10.30 O ATOM 1884 CB ALA A 116 -7.354 -12.321 -20.672 1.00 23.03 C ATOM 0 H ALA A 116 -5.750 -12.997 -22.410 1.00 43.45 H new ATOM 0 HA ALA A 116 -5.951 -10.703 -20.808 1.00 42.23 H new ATOM 0 HB1 ALA A 116 -7.882 -11.904 -19.814 1.00 23.03 H new ATOM 0 HB2 ALA A 116 -7.868 -12.033 -21.589 1.00 23.03 H new ATOM 0 HB3 ALA A 116 -7.335 -13.408 -20.593 1.00 23.03 H new ATOM 1890 N LYS A 117 -4.758 -13.356 -19.240 1.00 33.43 N ATOM 1891 CA LYS A 117 -4.062 -13.805 -18.023 1.00 52.44 C ATOM 1892 C LYS A 117 -2.607 -13.309 -17.968 1.00 3.42 C ATOM 1893 O LYS A 117 -1.885 -13.565 -17.004 1.00 34.14 O ATOM 1894 CB LYS A 117 -4.115 -15.330 -17.929 1.00 52.20 C ATOM 1895 CG LYS A 117 -5.533 -15.908 -17.859 1.00 2.11 C ATOM 1896 CD LYS A 117 -6.219 -15.688 -16.498 1.00 32.22 C ATOM 1897 CE LYS A 117 -7.207 -14.514 -16.494 1.00 74.13 C ATOM 1898 NZ LYS A 117 -6.542 -13.189 -16.397 1.00 14.53 N ATOM 0 H LYS A 117 -4.860 -14.078 -19.954 1.00 33.43 H new ATOM 0 HA LYS A 117 -4.577 -13.370 -17.166 1.00 52.44 H new ATOM 0 HB2 LYS A 117 -3.605 -15.754 -18.794 1.00 52.20 H new ATOM 0 HB3 LYS A 117 -3.562 -15.647 -17.045 1.00 52.20 H new ATOM 0 HG2 LYS A 117 -6.141 -15.454 -18.641 1.00 2.11 H new ATOM 0 HG3 LYS A 117 -5.492 -16.977 -18.068 1.00 2.11 H new ATOM 0 HD2 LYS A 117 -6.747 -16.598 -16.215 1.00 32.22 H new ATOM 0 HD3 LYS A 117 -5.456 -15.513 -15.739 1.00 32.22 H new ATOM 0 HE2 LYS A 117 -7.805 -14.547 -17.405 1.00 74.13 H new ATOM 0 HE3 LYS A 117 -7.895 -14.630 -15.657 1.00 74.13 H new ATOM 0 HZ1 LYS A 117 -7.183 -12.512 -15.937 1.00 14.53 H new ATOM 0 HZ2 LYS A 117 -5.671 -13.278 -15.835 1.00 14.53 H new ATOM 0 HZ3 LYS A 117 -6.305 -12.849 -17.351 1.00 14.53 H new ATOM 1912 N ALA A 118 -2.180 -12.610 -19.013 1.00 43.53 N ATOM 1913 CA ALA A 118 -0.859 -11.979 -19.040 1.00 40.41 C ATOM 1914 C ALA A 118 -0.938 -10.500 -18.629 1.00 34.11 C ATOM 1915 O ALA A 118 0.077 -9.880 -18.305 1.00 25.24 O ATOM 1916 CB ALA A 118 -0.252 -12.111 -20.433 1.00 12.53 C ATOM 0 H ALA A 118 -2.731 -12.463 -19.859 1.00 43.53 H new ATOM 0 HA ALA A 118 -0.221 -12.490 -18.319 1.00 40.41 H new ATOM 0 HB1 ALA A 118 0.731 -11.640 -20.448 1.00 12.53 H new ATOM 0 HB2 ALA A 118 -0.153 -13.166 -20.688 1.00 12.53 H new ATOM 0 HB3 ALA A 118 -0.900 -11.621 -21.160 1.00 12.53 H new ATOM 1922 N ALA A 119 -2.152 -9.943 -18.637 1.00 32.45 N ATOM 1923 CA ALA A 119 -2.359 -8.524 -18.327 1.00 13.13 C ATOM 1924 C ALA A 119 -3.163 -8.312 -17.034 1.00 14.32 C ATOM 1925 O ALA A 119 -2.678 -7.679 -16.094 1.00 21.24 O ATOM 1926 CB ALA A 119 -3.056 -7.833 -19.494 1.00 24.51 C ATOM 0 H ALA A 119 -3.008 -10.453 -18.855 1.00 32.45 H new ATOM 0 HA ALA A 119 -1.375 -8.083 -18.168 1.00 13.13 H new ATOM 0 HB1 ALA A 119 -3.206 -6.780 -19.256 1.00 24.51 H new ATOM 0 HB2 ALA A 119 -2.439 -7.919 -20.389 1.00 24.51 H new ATOM 0 HB3 ALA A 119 -4.022 -8.306 -19.673 1.00 24.51 H new ATOM 1932 N GLU A 120 -4.387 -8.854 -16.990 1.00 32.11 N ATOM 1933 CA GLU A 120 -5.334 -8.605 -15.882 1.00 34.32 C ATOM 1934 C GLU A 120 -4.678 -8.697 -14.496 1.00 10.55 C ATOM 1935 O GLU A 120 -4.838 -7.800 -13.660 1.00 23.44 O ATOM 1936 CB GLU A 120 -6.507 -9.592 -15.946 1.00 61.13 C ATOM 1937 CG GLU A 120 -7.375 -9.456 -17.191 1.00 74.12 C ATOM 1938 CD GLU A 120 -8.564 -10.404 -17.175 1.00 21.44 C ATOM 1939 OE1 GLU A 120 -8.390 -11.590 -17.531 1.00 21.51 O ATOM 1940 OE2 GLU A 120 -9.673 -9.970 -16.798 1.00 63.43 O ATOM 0 H GLU A 120 -4.752 -9.474 -17.713 1.00 32.11 H new ATOM 0 HA GLU A 120 -5.689 -7.583 -16.012 1.00 34.32 H new ATOM 0 HB2 GLU A 120 -6.114 -10.608 -15.900 1.00 61.13 H new ATOM 0 HB3 GLU A 120 -7.133 -9.452 -15.064 1.00 61.13 H new ATOM 0 HG2 GLU A 120 -7.733 -8.430 -17.271 1.00 74.12 H new ATOM 0 HG3 GLU A 120 -6.770 -9.652 -18.076 1.00 74.12 H new ATOM 1947 N GLU A 121 -3.941 -9.777 -14.269 1.00 34.54 N ATOM 1948 CA GLU A 121 -3.274 -10.026 -12.987 1.00 72.33 C ATOM 1949 C GLU A 121 -2.333 -8.869 -12.615 1.00 24.21 C ATOM 1950 O GLU A 121 -2.509 -8.214 -11.583 1.00 15.43 O ATOM 1951 CB GLU A 121 -2.482 -11.349 -13.042 1.00 10.04 C ATOM 1952 CG GLU A 121 -3.335 -12.625 -12.957 1.00 72.00 C ATOM 1953 CD GLU A 121 -4.192 -12.918 -14.191 1.00 40.12 C ATOM 1954 OE1 GLU A 121 -4.032 -12.253 -15.233 1.00 31.44 O ATOM 1955 OE2 GLU A 121 -5.034 -13.835 -14.124 1.00 5.42 O ATOM 0 H GLU A 121 -3.786 -10.507 -14.964 1.00 34.54 H new ATOM 0 HA GLU A 121 -4.045 -10.101 -12.220 1.00 72.33 H new ATOM 0 HB2 GLU A 121 -1.911 -11.374 -13.970 1.00 10.04 H new ATOM 0 HB3 GLU A 121 -1.762 -11.357 -12.224 1.00 10.04 H new ATOM 0 HG2 GLU A 121 -2.674 -13.474 -12.783 1.00 72.00 H new ATOM 0 HG3 GLU A 121 -3.990 -12.548 -12.089 1.00 72.00 H new ATOM 1962 N GLU A 122 -1.351 -8.613 -13.475 1.00 42.02 N ATOM 1963 CA GLU A 122 -0.357 -7.561 -13.236 1.00 2.52 C ATOM 1964 C GLU A 122 -1.013 -6.177 -13.102 1.00 43.15 C ATOM 1965 O GLU A 122 -0.558 -5.332 -12.324 1.00 53.21 O ATOM 1966 CB GLU A 122 0.679 -7.559 -14.368 1.00 52.11 C ATOM 1967 CG GLU A 122 1.442 -8.877 -14.506 1.00 62.01 C ATOM 1968 CD GLU A 122 2.276 -9.207 -13.275 1.00 4.33 C ATOM 1969 OE1 GLU A 122 3.424 -8.724 -13.184 1.00 4.15 O ATOM 1970 OE2 GLU A 122 1.789 -9.942 -12.387 1.00 12.20 O ATOM 0 H GLU A 122 -1.219 -9.121 -14.350 1.00 42.02 H new ATOM 0 HA GLU A 122 0.142 -7.775 -12.291 1.00 2.52 H new ATOM 0 HB2 GLU A 122 0.175 -7.341 -15.309 1.00 52.11 H new ATOM 0 HB3 GLU A 122 1.392 -6.753 -14.194 1.00 52.11 H new ATOM 0 HG2 GLU A 122 0.733 -9.685 -14.686 1.00 62.01 H new ATOM 0 HG3 GLU A 122 2.094 -8.825 -15.378 1.00 62.01 H new ATOM 1977 N MET A 123 -2.089 -5.952 -13.859 1.00 0.54 N ATOM 1978 CA MET A 123 -2.862 -4.710 -13.757 1.00 24.10 C ATOM 1979 C MET A 123 -3.447 -4.535 -12.348 1.00 13.53 C ATOM 1980 O MET A 123 -3.426 -3.440 -11.785 1.00 13.32 O ATOM 1981 CB MET A 123 -4.001 -4.702 -14.787 1.00 34.32 C ATOM 1982 CG MET A 123 -3.535 -4.699 -16.236 1.00 64.44 C ATOM 1983 SD MET A 123 -4.914 -4.807 -17.399 1.00 70.52 S ATOM 1984 CE MET A 123 -5.821 -3.312 -17.002 1.00 23.12 C ATOM 0 H MET A 123 -2.446 -6.613 -14.549 1.00 0.54 H new ATOM 0 HA MET A 123 -2.184 -3.881 -13.959 1.00 24.10 H new ATOM 0 HB2 MET A 123 -4.631 -5.576 -14.622 1.00 34.32 H new ATOM 0 HB3 MET A 123 -4.624 -3.824 -14.616 1.00 34.32 H new ATOM 0 HG2 MET A 123 -2.968 -3.789 -16.431 1.00 64.44 H new ATOM 0 HG3 MET A 123 -2.858 -5.537 -16.400 1.00 64.44 H new ATOM 0 HE1 MET A 123 -6.498 -3.069 -17.821 1.00 23.12 H new ATOM 0 HE2 MET A 123 -6.396 -3.467 -16.089 1.00 23.12 H new ATOM 0 HE3 MET A 123 -5.121 -2.490 -16.854 1.00 23.12 H new ATOM 1994 N LEU A 124 -3.961 -5.623 -11.777 1.00 11.33 N ATOM 1995 CA LEU A 124 -4.550 -5.577 -10.437 1.00 73.53 C ATOM 1996 C LEU A 124 -3.476 -5.389 -9.356 1.00 73.51 C ATOM 1997 O LEU A 124 -3.714 -4.723 -8.355 1.00 41.21 O ATOM 1998 CB LEU A 124 -5.372 -6.842 -10.152 1.00 74.21 C ATOM 1999 CG LEU A 124 -6.578 -7.067 -11.082 1.00 3.34 C ATOM 2000 CD1 LEU A 124 -7.405 -8.262 -10.617 1.00 41.10 C ATOM 2001 CD2 LEU A 124 -7.447 -5.811 -11.164 1.00 34.13 C ATOM 0 H LEU A 124 -3.982 -6.543 -12.217 1.00 11.33 H new ATOM 0 HA LEU A 124 -5.216 -4.715 -10.407 1.00 73.53 H new ATOM 0 HB2 LEU A 124 -4.713 -7.707 -10.223 1.00 74.21 H new ATOM 0 HB3 LEU A 124 -5.731 -6.798 -9.124 1.00 74.21 H new ATOM 0 HG LEU A 124 -6.197 -7.282 -12.080 1.00 3.34 H new ATOM 0 HD11 LEU A 124 -8.252 -8.402 -11.289 1.00 41.10 H new ATOM 0 HD12 LEU A 124 -6.785 -9.158 -10.623 1.00 41.10 H new ATOM 0 HD13 LEU A 124 -7.770 -8.081 -9.606 1.00 41.10 H new ATOM 0 HD21 LEU A 124 -8.292 -5.996 -11.827 1.00 34.13 H new ATOM 0 HD22 LEU A 124 -7.815 -5.557 -10.170 1.00 34.13 H new ATOM 0 HD23 LEU A 124 -6.854 -4.983 -11.554 1.00 34.13 H new ATOM 2013 N TYR A 125 -2.294 -5.973 -9.561 1.00 0.34 N ATOM 2014 CA TYR A 125 -1.181 -5.810 -8.611 1.00 24.43 C ATOM 2015 C TYR A 125 -0.798 -4.332 -8.417 1.00 14.32 C ATOM 2016 O TYR A 125 -0.762 -3.839 -7.288 1.00 61.02 O ATOM 2017 CB TYR A 125 0.047 -6.625 -9.052 1.00 21.35 C ATOM 2018 CG TYR A 125 -0.040 -8.099 -8.699 1.00 23.41 C ATOM 2019 CD1 TYR A 125 0.173 -8.527 -7.391 1.00 3.33 C ATOM 2020 CD2 TYR A 125 -0.335 -9.059 -9.661 1.00 5.52 C ATOM 2021 CE1 TYR A 125 0.094 -9.864 -7.054 1.00 71.00 C ATOM 2022 CE2 TYR A 125 -0.417 -10.399 -9.328 1.00 62.12 C ATOM 2023 CZ TYR A 125 -0.201 -10.793 -8.025 1.00 55.03 C ATOM 2024 OH TYR A 125 -0.279 -12.126 -7.692 1.00 2.42 O ATOM 0 H TYR A 125 -2.079 -6.559 -10.368 1.00 0.34 H new ATOM 0 HA TYR A 125 -1.528 -6.191 -7.651 1.00 24.43 H new ATOM 0 HB2 TYR A 125 0.170 -6.525 -10.130 1.00 21.35 H new ATOM 0 HB3 TYR A 125 0.938 -6.202 -8.589 1.00 21.35 H new ATOM 0 HD1 TYR A 125 0.404 -7.800 -6.626 1.00 3.33 H new ATOM 0 HD2 TYR A 125 -0.503 -8.754 -10.683 1.00 5.52 H new ATOM 0 HE1 TYR A 125 0.263 -10.178 -6.035 1.00 71.00 H new ATOM 0 HE2 TYR A 125 -0.649 -11.133 -10.085 1.00 62.12 H new ATOM 0 HH TYR A 125 -0.497 -12.650 -8.491 1.00 2.42 H new ATOM 2034 N LYS A 126 -0.524 -3.625 -9.515 1.00 22.11 N ATOM 2035 CA LYS A 126 -0.173 -2.198 -9.436 1.00 23.00 C ATOM 2036 C LYS A 126 -1.358 -1.361 -8.916 1.00 35.40 C ATOM 2037 O LYS A 126 -1.166 -0.310 -8.299 1.00 31.30 O ATOM 2038 CB LYS A 126 0.295 -1.669 -10.805 1.00 3.41 C ATOM 2039 CG LYS A 126 -0.753 -1.774 -11.911 1.00 25.52 C ATOM 2040 CD LYS A 126 -0.265 -1.196 -13.245 1.00 75.12 C ATOM 2041 CE LYS A 126 -0.247 0.337 -13.258 1.00 60.10 C ATOM 2042 NZ LYS A 126 0.808 0.921 -12.380 1.00 52.11 N ATOM 0 H LYS A 126 -0.537 -4.008 -10.460 1.00 22.11 H new ATOM 0 HA LYS A 126 0.650 -2.101 -8.728 1.00 23.00 H new ATOM 0 HB2 LYS A 126 0.589 -0.625 -10.697 1.00 3.41 H new ATOM 0 HB3 LYS A 126 1.184 -2.220 -11.110 1.00 3.41 H new ATOM 0 HG2 LYS A 126 -1.024 -2.820 -12.051 1.00 25.52 H new ATOM 0 HG3 LYS A 126 -1.656 -1.249 -11.601 1.00 25.52 H new ATOM 0 HD2 LYS A 126 0.738 -1.568 -13.451 1.00 75.12 H new ATOM 0 HD3 LYS A 126 -0.909 -1.554 -14.048 1.00 75.12 H new ATOM 0 HE2 LYS A 126 -0.092 0.683 -14.280 1.00 60.10 H new ATOM 0 HE3 LYS A 126 -1.221 0.708 -12.940 1.00 60.10 H new ATOM 0 HZ1 LYS A 126 1.241 1.739 -12.854 1.00 52.11 H new ATOM 0 HZ2 LYS A 126 0.382 1.227 -11.482 1.00 52.11 H new ATOM 0 HZ3 LYS A 126 1.538 0.205 -12.191 1.00 52.11 H new ATOM 2056 N ASP A 127 -2.579 -1.837 -9.165 1.00 63.00 N ATOM 2057 CA ASP A 127 -3.790 -1.169 -8.677 1.00 10.00 C ATOM 2058 C ASP A 127 -3.911 -1.304 -7.146 1.00 4.54 C ATOM 2059 O ASP A 127 -4.178 -0.328 -6.441 1.00 75.53 O ATOM 2060 CB ASP A 127 -5.021 -1.764 -9.369 1.00 51.54 C ATOM 2061 CG ASP A 127 -6.288 -0.982 -9.078 1.00 53.21 C ATOM 2062 OD1 ASP A 127 -6.577 -0.019 -9.819 1.00 33.32 O ATOM 2063 OD2 ASP A 127 -6.999 -1.325 -8.110 1.00 52.12 O ATOM 0 H ASP A 127 -2.757 -2.685 -9.703 1.00 63.00 H new ATOM 0 HA ASP A 127 -3.726 -0.107 -8.915 1.00 10.00 H new ATOM 0 HB2 ASP A 127 -4.852 -1.788 -10.446 1.00 51.54 H new ATOM 0 HB3 ASP A 127 -5.153 -2.796 -9.044 1.00 51.54 H new ATOM 2068 N MET A 128 -3.700 -2.523 -6.640 1.00 64.33 N ATOM 2069 CA MET A 128 -3.698 -2.786 -5.193 1.00 42.10 C ATOM 2070 C MET A 128 -2.645 -1.922 -4.487 1.00 45.23 C ATOM 2071 O MET A 128 -2.905 -1.332 -3.435 1.00 74.22 O ATOM 2072 CB MET A 128 -3.411 -4.272 -4.915 1.00 65.52 C ATOM 2073 CG MET A 128 -4.463 -5.219 -5.479 1.00 54.43 C ATOM 2074 SD MET A 128 -6.076 -5.017 -4.701 1.00 12.04 S ATOM 2075 CE MET A 128 -5.753 -5.677 -3.067 1.00 1.31 C ATOM 0 H MET A 128 -3.527 -3.349 -7.213 1.00 64.33 H new ATOM 0 HA MET A 128 -4.685 -2.533 -4.805 1.00 42.10 H new ATOM 0 HB2 MET A 128 -2.440 -4.530 -5.338 1.00 65.52 H new ATOM 0 HB3 MET A 128 -3.340 -4.423 -3.838 1.00 65.52 H new ATOM 0 HG2 MET A 128 -4.559 -5.051 -6.552 1.00 54.43 H new ATOM 0 HG3 MET A 128 -4.127 -6.248 -5.347 1.00 54.43 H new ATOM 0 HE1 MET A 128 -6.696 -5.819 -2.539 1.00 1.31 H new ATOM 0 HE2 MET A 128 -5.239 -6.634 -3.156 1.00 1.31 H new ATOM 0 HE3 MET A 128 -5.127 -4.980 -2.510 1.00 1.31 H new ATOM 2085 N GLN A 129 -1.456 -1.859 -5.083 1.00 75.14 N ATOM 2086 CA GLN A 129 -0.370 -1.017 -4.574 1.00 64.41 C ATOM 2087 C GLN A 129 -0.805 0.457 -4.513 1.00 41.30 C ATOM 2088 O GLN A 129 -0.550 1.152 -3.525 1.00 53.31 O ATOM 2089 CB GLN A 129 0.879 -1.183 -5.467 1.00 42.24 C ATOM 2090 CG GLN A 129 2.114 -0.397 -5.012 1.00 43.44 C ATOM 2091 CD GLN A 129 2.098 1.069 -5.430 1.00 32.34 C ATOM 2092 OE1 GLN A 129 1.551 1.433 -6.468 1.00 13.14 O ATOM 2093 NE2 GLN A 129 2.694 1.923 -4.624 1.00 41.54 N ATOM 0 H GLN A 129 -1.217 -2.384 -5.924 1.00 75.14 H new ATOM 0 HA GLN A 129 -0.124 -1.333 -3.560 1.00 64.41 H new ATOM 0 HB2 GLN A 129 1.137 -2.241 -5.511 1.00 42.24 H new ATOM 0 HB3 GLN A 129 0.625 -0.875 -6.481 1.00 42.24 H new ATOM 0 HG2 GLN A 129 2.190 -0.455 -3.926 1.00 43.44 H new ATOM 0 HG3 GLN A 129 3.006 -0.872 -5.420 1.00 43.44 H new ATOM 0 HE21 GLN A 129 3.140 1.591 -3.769 1.00 41.54 H new ATOM 0 HE22 GLN A 129 2.710 2.916 -4.855 1.00 41.54 H new ATOM 2102 N LYS A 130 -1.480 0.923 -5.565 1.00 1.24 N ATOM 2103 CA LYS A 130 -1.904 2.323 -5.643 1.00 52.33 C ATOM 2104 C LYS A 130 -2.983 2.658 -4.595 1.00 71.42 C ATOM 2105 O LYS A 130 -2.888 3.676 -3.912 1.00 22.11 O ATOM 2106 CB LYS A 130 -2.397 2.674 -7.053 1.00 10.41 C ATOM 2107 CG LYS A 130 -2.684 4.163 -7.233 1.00 22.21 C ATOM 2108 CD LYS A 130 -2.927 4.532 -8.693 1.00 21.12 C ATOM 2109 CE LYS A 130 -3.105 6.037 -8.865 1.00 24.11 C ATOM 2110 NZ LYS A 130 -1.911 6.799 -8.405 1.00 73.24 N ATOM 0 H LYS A 130 -1.744 0.356 -6.371 1.00 1.24 H new ATOM 0 HA LYS A 130 -1.028 2.933 -5.421 1.00 52.33 H new ATOM 0 HB2 LYS A 130 -1.648 2.364 -7.781 1.00 10.41 H new ATOM 0 HB3 LYS A 130 -3.303 2.107 -7.266 1.00 10.41 H new ATOM 0 HG2 LYS A 130 -3.557 4.437 -6.641 1.00 22.21 H new ATOM 0 HG3 LYS A 130 -1.844 4.742 -6.849 1.00 22.21 H new ATOM 0 HD2 LYS A 130 -2.088 4.192 -9.300 1.00 21.12 H new ATOM 0 HD3 LYS A 130 -3.815 4.015 -9.057 1.00 21.12 H new ATOM 0 HE2 LYS A 130 -3.295 6.261 -9.915 1.00 24.11 H new ATOM 0 HE3 LYS A 130 -3.981 6.364 -8.305 1.00 24.11 H new ATOM 0 HZ1 LYS A 130 -1.935 7.758 -8.807 1.00 73.24 H new ATOM 0 HZ2 LYS A 130 -1.916 6.858 -7.367 1.00 73.24 H new ATOM 0 HZ3 LYS A 130 -1.047 6.314 -8.720 1.00 73.24 H new ATOM 2124 N ASP A 131 -4.000 1.809 -4.453 1.00 32.31 N ATOM 2125 CA ASP A 131 -5.041 2.047 -3.443 1.00 54.41 C ATOM 2126 C ASP A 131 -4.437 2.055 -2.031 1.00 10.32 C ATOM 2127 O ASP A 131 -4.713 2.951 -1.232 1.00 61.02 O ATOM 2128 CB ASP A 131 -6.150 0.992 -3.536 1.00 34.21 C ATOM 2129 CG ASP A 131 -7.330 1.311 -2.627 1.00 65.13 C ATOM 2130 OD1 ASP A 131 -7.938 2.391 -2.791 1.00 71.21 O ATOM 2131 OD2 ASP A 131 -7.673 0.481 -1.763 1.00 71.44 O ATOM 0 H ASP A 131 -4.129 0.965 -5.011 1.00 32.31 H new ATOM 0 HA ASP A 131 -5.479 3.025 -3.642 1.00 54.41 H new ATOM 0 HB2 ASP A 131 -6.497 0.923 -4.567 1.00 34.21 H new ATOM 0 HB3 ASP A 131 -5.743 0.016 -3.270 1.00 34.21 H new ATOM 2136 N ALA A 132 -3.590 1.066 -1.745 1.00 15.12 N ATOM 2137 CA ALA A 132 -2.938 0.945 -0.434 1.00 5.25 C ATOM 2138 C ALA A 132 -2.178 2.223 -0.039 1.00 12.33 C ATOM 2139 O ALA A 132 -2.324 2.722 1.079 1.00 3.41 O ATOM 2140 CB ALA A 132 -1.991 -0.249 -0.429 1.00 65.33 C ATOM 0 H ALA A 132 -3.336 0.331 -2.406 1.00 15.12 H new ATOM 0 HA ALA A 132 -3.724 0.793 0.306 1.00 5.25 H new ATOM 0 HB1 ALA A 132 -1.513 -0.330 0.547 1.00 65.33 H new ATOM 0 HB2 ALA A 132 -2.553 -1.160 -0.634 1.00 65.33 H new ATOM 0 HB3 ALA A 132 -1.229 -0.112 -1.196 1.00 65.33 H new ATOM 2146 N VAL A 133 -1.366 2.753 -0.958 1.00 43.01 N ATOM 2147 CA VAL A 133 -0.589 3.966 -0.678 1.00 62.00 C ATOM 2148 C VAL A 133 -1.503 5.194 -0.481 1.00 63.13 C ATOM 2149 O VAL A 133 -1.173 6.110 0.276 1.00 34.43 O ATOM 2150 CB VAL A 133 0.465 4.243 -1.789 1.00 33.25 C ATOM 2151 CG1 VAL A 133 -0.193 4.502 -3.138 1.00 2.23 C ATOM 2152 CG2 VAL A 133 1.372 5.406 -1.401 1.00 15.12 C ATOM 0 H VAL A 133 -1.229 2.367 -1.892 1.00 43.01 H new ATOM 0 HA VAL A 133 -0.055 3.789 0.256 1.00 62.00 H new ATOM 0 HB VAL A 133 1.077 3.346 -1.887 1.00 33.25 H new ATOM 0 HG11 VAL A 133 0.576 4.691 -3.887 1.00 2.23 H new ATOM 0 HG12 VAL A 133 -0.778 3.630 -3.431 1.00 2.23 H new ATOM 0 HG13 VAL A 133 -0.848 5.370 -3.063 1.00 2.23 H new ATOM 0 HG21 VAL A 133 2.100 5.580 -2.194 1.00 15.12 H new ATOM 0 HG22 VAL A 133 0.771 6.304 -1.257 1.00 15.12 H new ATOM 0 HG23 VAL A 133 1.894 5.167 -0.475 1.00 15.12 H new ATOM 2162 N GLN A 134 -2.662 5.203 -1.146 1.00 53.02 N ATOM 2163 CA GLN A 134 -3.651 6.278 -0.950 1.00 41.45 C ATOM 2164 C GLN A 134 -4.306 6.168 0.436 1.00 34.24 C ATOM 2165 O GLN A 134 -4.542 7.176 1.105 1.00 20.15 O ATOM 2166 CB GLN A 134 -4.740 6.240 -2.039 1.00 15.21 C ATOM 2167 CG GLN A 134 -4.214 6.358 -3.466 1.00 12.33 C ATOM 2168 CD GLN A 134 -3.338 7.578 -3.682 1.00 14.52 C ATOM 2169 OE1 GLN A 134 -2.047 7.417 -3.482 1.00 1.45 O flip ATOM 2170 NE2 GLN A 134 -3.812 8.654 -4.030 1.00 31.20 N flip ATOM 0 H GLN A 134 -2.941 4.489 -1.819 1.00 53.02 H new ATOM 0 HA GLN A 134 -3.120 7.227 -1.021 1.00 41.45 H new ATOM 0 HB2 GLN A 134 -5.296 5.307 -1.946 1.00 15.21 H new ATOM 0 HB3 GLN A 134 -5.446 7.051 -1.857 1.00 15.21 H new ATOM 0 HG2 GLN A 134 -3.644 5.462 -3.711 1.00 12.33 H new ATOM 0 HG3 GLN A 134 -5.058 6.398 -4.155 1.00 12.33 H new ATOM 0 HE21 GLN A 134 -4.817 8.745 -4.176 1.00 31.20 H new ATOM 0 HE22 GLN A 134 -3.201 9.458 -4.173 1.00 31.20 H new ATOM 2179 N GLN A 135 -4.598 4.935 0.853 1.00 32.23 N ATOM 2180 CA GLN A 135 -5.145 4.667 2.189 1.00 14.12 C ATOM 2181 C GLN A 135 -4.217 5.219 3.284 1.00 43.25 C ATOM 2182 O GLN A 135 -4.653 5.935 4.189 1.00 3.14 O ATOM 2183 CB GLN A 135 -5.337 3.156 2.391 1.00 71.25 C ATOM 2184 CG GLN A 135 -6.268 2.492 1.381 1.00 43.15 C ATOM 2185 CD GLN A 135 -7.693 3.004 1.454 1.00 31.43 C ATOM 2186 OE1 GLN A 135 -8.170 3.418 2.508 1.00 10.40 O ATOM 2187 NE2 GLN A 135 -8.390 2.966 0.341 1.00 51.13 N ATOM 0 H GLN A 135 -4.465 4.100 0.283 1.00 32.23 H new ATOM 0 HA GLN A 135 -6.110 5.168 2.264 1.00 14.12 H new ATOM 0 HB2 GLN A 135 -4.363 2.670 2.341 1.00 71.25 H new ATOM 0 HB3 GLN A 135 -5.728 2.984 3.394 1.00 71.25 H new ATOM 0 HG2 GLN A 135 -5.880 2.658 0.376 1.00 43.15 H new ATOM 0 HG3 GLN A 135 -6.267 1.415 1.549 1.00 43.15 H new ATOM 0 HE21 GLN A 135 -7.963 2.616 -0.517 1.00 51.13 H new ATOM 0 HE22 GLN A 135 -9.358 3.286 0.334 1.00 51.13 H new ATOM 2196 N ILE A 136 -2.930 4.875 3.186 1.00 11.23 N ATOM 2197 CA ILE A 136 -1.915 5.376 4.120 1.00 13.33 C ATOM 2198 C ILE A 136 -1.868 6.911 4.108 1.00 4.41 C ATOM 2199 O ILE A 136 -1.888 7.554 5.160 1.00 53.23 O ATOM 2200 CB ILE A 136 -0.505 4.825 3.773 1.00 12.40 C ATOM 2201 CG1 ILE A 136 -0.511 3.285 3.760 1.00 21.41 C ATOM 2202 CG2 ILE A 136 0.534 5.351 4.766 1.00 2.24 C ATOM 2203 CD1 ILE A 136 0.825 2.666 3.396 1.00 42.14 C ATOM 0 H ILE A 136 -2.564 4.250 2.468 1.00 11.23 H new ATOM 0 HA ILE A 136 -2.198 5.029 5.114 1.00 13.33 H new ATOM 0 HB ILE A 136 -0.236 5.173 2.776 1.00 12.40 H new ATOM 0 HG12 ILE A 136 -0.811 2.925 4.744 1.00 21.41 H new ATOM 0 HG13 ILE A 136 -1.264 2.941 3.052 1.00 21.41 H new ATOM 0 HG21 ILE A 136 1.516 4.955 4.508 1.00 2.24 H new ATOM 0 HG22 ILE A 136 0.559 6.440 4.724 1.00 2.24 H new ATOM 0 HG23 ILE A 136 0.268 5.033 5.774 1.00 2.24 H new ATOM 0 HD11 ILE A 136 0.738 1.580 3.409 1.00 42.14 H new ATOM 0 HD12 ILE A 136 1.119 2.995 2.399 1.00 42.14 H new ATOM 0 HD13 ILE A 136 1.579 2.978 4.118 1.00 42.14 H new ATOM 2215 N LEU A 137 -1.818 7.482 2.902 1.00 5.13 N ATOM 2216 CA LEU A 137 -1.767 8.939 2.715 1.00 20.14 C ATOM 2217 C LEU A 137 -2.823 9.666 3.564 1.00 51.32 C ATOM 2218 O LEU A 137 -2.503 10.565 4.347 1.00 32.01 O ATOM 2219 CB LEU A 137 -1.989 9.276 1.232 1.00 14.42 C ATOM 2220 CG LEU A 137 -1.959 10.775 0.884 1.00 34.41 C ATOM 2221 CD1 LEU A 137 -0.543 11.330 1.000 1.00 4.03 C ATOM 2222 CD2 LEU A 137 -2.534 11.024 -0.512 1.00 31.42 C ATOM 0 H LEU A 137 -1.812 6.953 2.030 1.00 5.13 H new ATOM 0 HA LEU A 137 -0.783 9.279 3.039 1.00 20.14 H new ATOM 0 HB2 LEU A 137 -1.225 8.768 0.643 1.00 14.42 H new ATOM 0 HB3 LEU A 137 -2.952 8.868 0.924 1.00 14.42 H new ATOM 0 HG LEU A 137 -2.587 11.302 1.603 1.00 34.41 H new ATOM 0 HD11 LEU A 137 -0.546 12.391 0.749 1.00 4.03 H new ATOM 0 HD12 LEU A 137 -0.183 11.199 2.021 1.00 4.03 H new ATOM 0 HD13 LEU A 137 0.114 10.797 0.313 1.00 4.03 H new ATOM 0 HD21 LEU A 137 -2.502 12.091 -0.734 1.00 31.42 H new ATOM 0 HD22 LEU A 137 -1.944 10.482 -1.251 1.00 31.42 H new ATOM 0 HD23 LEU A 137 -3.567 10.677 -0.547 1.00 31.42 H new ATOM 2234 N ARG A 138 -4.083 9.260 3.411 1.00 70.14 N ATOM 2235 CA ARG A 138 -5.193 9.908 4.113 1.00 15.21 C ATOM 2236 C ARG A 138 -4.998 9.859 5.637 1.00 71.23 C ATOM 2237 O ARG A 138 -5.131 10.874 6.320 1.00 41.24 O ATOM 2238 CB ARG A 138 -6.531 9.253 3.739 1.00 22.30 C ATOM 2239 CG ARG A 138 -7.746 10.043 4.219 1.00 2.10 C ATOM 2240 CD ARG A 138 -9.059 9.331 3.912 1.00 75.02 C ATOM 2241 NE ARG A 138 -10.211 10.188 4.183 1.00 62.31 N ATOM 2242 CZ ARG A 138 -10.946 10.128 5.263 1.00 21.11 C ATOM 2243 NH1 ARG A 138 -10.688 9.269 6.199 1.00 40.51 N ATOM 2244 NH2 ARG A 138 -11.950 10.930 5.402 1.00 51.40 N ATOM 0 H ARG A 138 -4.362 8.486 2.808 1.00 70.14 H new ATOM 0 HA ARG A 138 -5.209 10.952 3.802 1.00 15.21 H new ATOM 0 HB2 ARG A 138 -6.583 9.143 2.656 1.00 22.30 H new ATOM 0 HB3 ARG A 138 -6.568 8.250 4.164 1.00 22.30 H new ATOM 0 HG2 ARG A 138 -7.668 10.208 5.294 1.00 2.10 H new ATOM 0 HG3 ARG A 138 -7.748 11.025 3.745 1.00 2.10 H new ATOM 0 HD2 ARG A 138 -9.071 9.024 2.866 1.00 75.02 H new ATOM 0 HD3 ARG A 138 -9.131 8.424 4.512 1.00 75.02 H new ATOM 0 HE ARG A 138 -10.460 10.883 3.479 1.00 62.31 H new ATOM 0 HH11 ARG A 138 -9.902 8.627 6.099 1.00 40.51 H new ATOM 0 HH12 ARG A 138 -11.271 9.235 7.035 1.00 40.51 H new ATOM 0 HH21 ARG A 138 -12.167 11.607 4.671 1.00 51.40 H new ATOM 0 HH22 ARG A 138 -12.525 10.886 6.243 1.00 51.40 H new ATOM 2258 N GLN A 139 -4.668 8.676 6.162 1.00 63.52 N ATOM 2259 CA GLN A 139 -4.478 8.498 7.607 1.00 24.31 C ATOM 2260 C GLN A 139 -3.329 9.374 8.141 1.00 2.14 C ATOM 2261 O GLN A 139 -3.445 9.990 9.207 1.00 4.43 O ATOM 2262 CB GLN A 139 -4.217 7.020 7.932 1.00 41.10 C ATOM 2263 CG GLN A 139 -5.326 6.082 7.455 1.00 11.14 C ATOM 2264 CD GLN A 139 -5.131 4.645 7.908 1.00 65.34 C ATOM 2265 OE1 GLN A 139 -4.570 4.384 8.969 1.00 5.44 O ATOM 2266 NE2 GLN A 139 -5.586 3.701 7.112 1.00 2.23 N ATOM 0 H GLN A 139 -4.527 7.829 5.612 1.00 63.52 H new ATOM 0 HA GLN A 139 -5.395 8.816 8.103 1.00 24.31 H new ATOM 0 HB2 GLN A 139 -3.275 6.717 7.475 1.00 41.10 H new ATOM 0 HB3 GLN A 139 -4.098 6.909 9.010 1.00 41.10 H new ATOM 0 HG2 GLN A 139 -6.285 6.446 7.825 1.00 11.14 H new ATOM 0 HG3 GLN A 139 -5.373 6.110 6.366 1.00 11.14 H new ATOM 0 HE21 GLN A 139 -6.048 3.950 6.237 1.00 2.23 H new ATOM 0 HE22 GLN A 139 -5.477 2.720 7.370 1.00 2.23 H new ATOM 2275 N VAL A 140 -2.231 9.443 7.388 1.00 32.44 N ATOM 2276 CA VAL A 140 -1.087 10.291 7.760 1.00 41.05 C ATOM 2277 C VAL A 140 -1.474 11.784 7.778 1.00 51.41 C ATOM 2278 O VAL A 140 -0.916 12.575 8.536 1.00 74.31 O ATOM 2279 CB VAL A 140 0.119 10.072 6.803 1.00 74.31 C ATOM 2280 CG1 VAL A 140 1.285 11.000 7.156 1.00 71.33 C ATOM 2281 CG2 VAL A 140 0.566 8.610 6.828 1.00 33.43 C ATOM 0 H VAL A 140 -2.105 8.925 6.518 1.00 32.44 H new ATOM 0 HA VAL A 140 -0.790 9.996 8.766 1.00 41.05 H new ATOM 0 HB VAL A 140 -0.207 10.317 5.792 1.00 74.31 H new ATOM 0 HG11 VAL A 140 2.112 10.822 6.469 1.00 71.33 H new ATOM 0 HG12 VAL A 140 0.962 12.038 7.074 1.00 71.33 H new ATOM 0 HG13 VAL A 140 1.612 10.801 8.177 1.00 71.33 H new ATOM 0 HG21 VAL A 140 1.411 8.476 6.152 1.00 33.43 H new ATOM 0 HG22 VAL A 140 0.865 8.338 7.840 1.00 33.43 H new ATOM 0 HG23 VAL A 140 -0.258 7.972 6.509 1.00 33.43 H new ATOM 2291 N SER A 141 -2.439 12.163 6.946 1.00 51.52 N ATOM 2292 CA SER A 141 -2.939 13.547 6.929 1.00 30.23 C ATOM 2293 C SER A 141 -4.192 13.714 7.807 1.00 34.50 C ATOM 2294 O SER A 141 -4.817 14.776 7.812 1.00 31.13 O ATOM 2295 CB SER A 141 -3.254 13.992 5.490 1.00 64.14 C ATOM 2296 OG SER A 141 -4.324 13.243 4.928 1.00 34.11 O ATOM 0 H SER A 141 -2.892 11.541 6.276 1.00 51.52 H new ATOM 0 HA SER A 141 -2.150 14.178 7.339 1.00 30.23 H new ATOM 0 HB2 SER A 141 -3.510 15.051 5.485 1.00 64.14 H new ATOM 0 HB3 SER A 141 -2.365 13.876 4.871 1.00 64.14 H new ATOM 0 HG SER A 141 -4.485 12.444 5.472 1.00 34.11 H new ATOM 2302 N ALA A 142 -4.555 12.668 8.555 1.00 1.43 N ATOM 2303 CA ALA A 142 -5.772 12.693 9.385 1.00 34.24 C ATOM 2304 C ALA A 142 -5.490 12.452 10.881 1.00 70.30 C ATOM 2305 O ALA A 142 -6.304 12.822 11.732 1.00 72.01 O ATOM 2306 CB ALA A 142 -6.776 11.665 8.866 1.00 10.23 C ATOM 0 H ALA A 142 -4.029 11.795 8.606 1.00 1.43 H new ATOM 0 HA ALA A 142 -6.189 13.697 9.305 1.00 34.24 H new ATOM 0 HB1 ALA A 142 -7.673 11.689 9.484 1.00 10.23 H new ATOM 0 HB2 ALA A 142 -7.039 11.902 7.835 1.00 10.23 H new ATOM 0 HB3 ALA A 142 -6.333 10.670 8.908 1.00 10.23 H new ATOM 2312 N PHE A 143 -4.342 11.848 11.211 1.00 30.40 N ATOM 2313 CA PHE A 143 -4.021 11.506 12.612 1.00 32.44 C ATOM 2314 C PHE A 143 -3.947 12.755 13.513 1.00 22.52 C ATOM 2315 O PHE A 143 -3.943 12.650 14.739 1.00 45.04 O ATOM 2316 CB PHE A 143 -2.700 10.716 12.696 1.00 13.12 C ATOM 2317 CG PHE A 143 -1.452 11.570 12.627 1.00 72.35 C ATOM 2318 CD1 PHE A 143 -0.940 11.980 11.409 1.00 73.35 C ATOM 2319 CD2 PHE A 143 -0.794 11.962 13.788 1.00 15.41 C ATOM 2320 CE1 PHE A 143 0.200 12.762 11.346 1.00 44.41 C ATOM 2321 CE2 PHE A 143 0.345 12.742 13.731 1.00 71.43 C ATOM 2322 CZ PHE A 143 0.843 13.144 12.507 1.00 61.44 C ATOM 0 H PHE A 143 -3.622 11.586 10.538 1.00 30.40 H new ATOM 0 HA PHE A 143 -4.835 10.880 12.978 1.00 32.44 H new ATOM 0 HB2 PHE A 143 -2.688 10.152 13.628 1.00 13.12 H new ATOM 0 HB3 PHE A 143 -2.673 9.990 11.884 1.00 13.12 H new ATOM 0 HD1 PHE A 143 -1.436 11.686 10.496 1.00 73.35 H new ATOM 0 HD2 PHE A 143 -1.179 11.652 14.748 1.00 15.41 H new ATOM 0 HE1 PHE A 143 0.587 13.074 10.387 1.00 44.41 H new ATOM 0 HE2 PHE A 143 0.845 13.037 14.642 1.00 71.43 H new ATOM 0 HZ PHE A 143 1.732 13.755 12.458 1.00 61.44 H new ATOM 2332 N THR A 144 -3.887 13.938 12.899 1.00 33.15 N ATOM 2333 CA THR A 144 -3.831 15.206 13.646 1.00 62.31 C ATOM 2334 C THR A 144 -5.173 15.537 14.326 1.00 44.42 C ATOM 2335 O THR A 144 -5.285 16.529 15.051 1.00 71.15 O ATOM 2336 CB THR A 144 -3.421 16.386 12.726 1.00 23.13 C ATOM 2337 OG1 THR A 144 -3.353 17.615 13.471 1.00 72.13 O ATOM 2338 CG2 THR A 144 -4.401 16.549 11.565 1.00 72.54 C ATOM 0 H THR A 144 -3.876 14.049 11.885 1.00 33.15 H new ATOM 0 HA THR A 144 -3.074 15.072 14.419 1.00 62.31 H new ATOM 0 HB THR A 144 -2.435 16.156 12.323 1.00 23.13 H new ATOM 0 HG1 THR A 144 -4.026 17.603 14.183 1.00 72.13 H new ATOM 0 HG21 THR A 144 -4.087 17.384 10.938 1.00 72.54 H new ATOM 0 HG22 THR A 144 -4.417 15.635 10.971 1.00 72.54 H new ATOM 0 HG23 THR A 144 -5.399 16.745 11.956 1.00 72.54 H new