USER MOD reduce.3.24.130724 H: found=0, std=0, add=1127, rem=0, adj=32 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 37 THR OG1 : rot -100:sc= 1.24 USER MOD Set 1.2: A 38 HIS :FLIP no HD1:sc= -0.0248 F(o=-0.37,f=1.2) USER MOD Set 2.1: A 10 SER OG : rot -134:sc= 0.0214 USER MOD Set 2.2: A 141 SER OG : rot -73:sc= 1.04 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 -28:sc= 0.418 USER MOD Single : A 39 THR OG1 : rot -67:sc= 1.65 USER MOD Single : A 42 LYS NZ :NH3+ 173:sc= 1.26 (180deg=1.18) USER MOD Single : A 45 ASN :FLIP amide:sc= -0.34 F(o=-0.98,f=-0.34) USER MOD Single : A 46 LYS NZ :NH3+ 170:sc= 0.668 (180deg=0.583) USER MOD Single : A 49 LYS NZ :NH3+ 169:sc= -0.0205 (180deg=-0.172) USER MOD Single : A 50 SER OG : rot -100:sc= -1.03 USER MOD Single : A 55 GLN :FLIP amide:sc= -0.683 F(o=-3.7,f=-0.68) USER MOD Single : A 58 HIS : no HD1:sc= -0.371 K(o=-0.37,f=-2.1!) USER MOD Single : A 63 LYS NZ :NH3+ 165:sc= 0.941 (180deg=0.643) USER MOD Single : A 67 SER OG : rot 154:sc= 0.447 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot -39:sc= 0.873 USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 92 ASN :FLIP amide:sc=-0.00473 F(o=-1.3,f=-0.0047) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 99 GLN : amide:sc= -0.0513 X(o=-0.051,f=-0.051) USER MOD Single : A 104 THR OG1 : rot 40:sc= 0.254 USER MOD Single : A 113 GLN : amide:sc= -0.261 K(o=-0.26,f=-3.8!) USER MOD Single : A 117 LYS NZ :NH3+ -127:sc= -2.22! (180deg=-4.84!) USER MOD Single : A 123 MET CE :methyl -156:sc= -0.213 (180deg=-1.11) USER MOD Single : A 125 TYR OH : rot 180:sc= 0 USER MOD Single : A 126 LYS NZ :NH3+ -140:sc= 1.27 (180deg=-0.355) USER MOD Single : A 128 MET CE :methyl 168:sc= -0.176 (180deg=-0.501) USER MOD Single : A 129 GLN :FLIP amide:sc= -2.33 F(o=-4.6!,f=-2.3) USER MOD Single : A 130 LYS NZ :NH3+ 166:sc= 0.808 (180deg=0.669) USER MOD Single : A 134 GLN : amide:sc= -0.0979 K(o=-0.098,f=-0.76) USER MOD Single : A 135 GLN : amide:sc= -0.0695 K(o=-0.069,f=-3.4!) USER MOD Single : A 139 GLN : amide:sc= -0.96 X(o=-0.96,f=-0.62) USER MOD Single : A 144 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 136 N VAL A 9 -3.186 17.467 -3.755 1.00 55.33 N ATOM 137 CA VAL A 9 -4.545 16.958 -3.517 1.00 34.34 C ATOM 138 C VAL A 9 -4.990 17.157 -2.054 1.00 63.02 C ATOM 139 O VAL A 9 -6.151 17.472 -1.784 1.00 73.23 O ATOM 140 CB VAL A 9 -4.657 15.454 -3.891 1.00 73.21 C ATOM 141 CG1 VAL A 9 -3.769 14.590 -2.994 1.00 34.53 C ATOM 142 CG2 VAL A 9 -6.111 14.984 -3.832 1.00 2.41 C ATOM 0 HA VAL A 9 -5.208 17.538 -4.159 1.00 34.34 H new ATOM 0 HB VAL A 9 -4.304 15.341 -4.916 1.00 73.21 H new ATOM 0 HG11 VAL A 9 -3.870 13.543 -3.281 1.00 34.53 H new ATOM 0 HG12 VAL A 9 -2.729 14.898 -3.106 1.00 34.53 H new ATOM 0 HG13 VAL A 9 -4.074 14.712 -1.955 1.00 34.53 H new ATOM 0 HG21 VAL A 9 -6.163 13.928 -4.098 1.00 2.41 H new ATOM 0 HG22 VAL A 9 -6.498 15.124 -2.823 1.00 2.41 H new ATOM 0 HG23 VAL A 9 -6.710 15.565 -4.534 1.00 2.41 H new ATOM 152 N SER A 10 -4.063 16.971 -1.117 1.00 4.03 N ATOM 153 CA SER A 10 -4.352 17.138 0.315 1.00 12.24 C ATOM 154 C SER A 10 -3.095 17.564 1.074 1.00 73.15 C ATOM 155 O SER A 10 -2.022 16.994 0.887 1.00 23.23 O ATOM 156 CB SER A 10 -4.897 15.835 0.917 1.00 72.54 C ATOM 157 OG SER A 10 -5.174 15.981 2.306 1.00 13.52 O ATOM 0 H SER A 10 -3.100 16.703 -1.320 1.00 4.03 H new ATOM 0 HA SER A 10 -5.108 17.917 0.412 1.00 12.24 H new ATOM 0 HB2 SER A 10 -5.806 15.542 0.392 1.00 72.54 H new ATOM 0 HB3 SER A 10 -4.172 15.034 0.771 1.00 72.54 H new ATOM 0 HG SER A 10 -4.821 15.207 2.793 1.00 13.52 H new ATOM 163 N GLU A 11 -3.228 18.573 1.928 1.00 11.02 N ATOM 164 CA GLU A 11 -2.085 19.093 2.682 1.00 73.00 C ATOM 165 C GLU A 11 -2.034 18.529 4.109 1.00 35.32 C ATOM 166 O GLU A 11 -3.036 18.057 4.649 1.00 41.22 O ATOM 167 CB GLU A 11 -2.125 20.625 2.716 1.00 35.25 C ATOM 168 CG GLU A 11 -2.072 21.262 1.330 1.00 54.54 C ATOM 169 CD GLU A 11 -1.911 22.770 1.383 1.00 52.40 C ATOM 170 OE1 GLU A 11 -0.773 23.236 1.585 1.00 43.40 O ATOM 171 OE2 GLU A 11 -2.915 23.495 1.226 1.00 31.10 O ATOM 0 H GLU A 11 -4.111 19.048 2.117 1.00 11.02 H new ATOM 0 HA GLU A 11 -1.179 18.768 2.170 1.00 73.00 H new ATOM 0 HB2 GLU A 11 -3.036 20.946 3.221 1.00 35.25 H new ATOM 0 HB3 GLU A 11 -1.286 20.990 3.308 1.00 35.25 H new ATOM 0 HG2 GLU A 11 -1.242 20.832 0.769 1.00 54.54 H new ATOM 0 HG3 GLU A 11 -2.985 21.017 0.787 1.00 54.54 H new ATOM 178 N LEU A 12 -0.851 18.597 4.713 1.00 53.00 N ATOM 179 CA LEU A 12 -0.611 18.037 6.047 1.00 5.43 C ATOM 180 C LEU A 12 0.231 19.002 6.909 1.00 11.31 C ATOM 181 O LEU A 12 1.003 19.802 6.378 1.00 63.24 O ATOM 182 CB LEU A 12 0.061 16.649 5.914 1.00 4.41 C ATOM 183 CG LEU A 12 0.850 16.407 4.609 1.00 30.02 C ATOM 184 CD1 LEU A 12 2.068 17.321 4.517 1.00 4.31 C ATOM 185 CD2 LEU A 12 1.256 14.937 4.484 1.00 34.43 C ATOM 0 H LEU A 12 -0.032 19.040 4.296 1.00 53.00 H new ATOM 0 HA LEU A 12 -1.565 17.908 6.558 1.00 5.43 H new ATOM 0 HB2 LEU A 12 0.739 16.512 6.757 1.00 4.41 H new ATOM 0 HB3 LEU A 12 -0.710 15.883 5.997 1.00 4.41 H new ATOM 0 HG LEU A 12 0.193 16.650 3.774 1.00 30.02 H new ATOM 0 HD11 LEU A 12 2.601 17.125 3.587 1.00 4.31 H new ATOM 0 HD12 LEU A 12 1.744 18.362 4.537 1.00 4.31 H new ATOM 0 HD13 LEU A 12 2.730 17.131 5.361 1.00 4.31 H new ATOM 0 HD21 LEU A 12 1.811 14.790 3.557 1.00 34.43 H new ATOM 0 HD22 LEU A 12 1.884 14.660 5.331 1.00 34.43 H new ATOM 0 HD23 LEU A 12 0.363 14.312 4.475 1.00 34.43 H new ATOM 197 N PRO A 13 0.092 18.940 8.252 1.00 45.32 N ATOM 198 CA PRO A 13 0.728 19.911 9.177 1.00 72.14 C ATOM 199 C PRO A 13 2.257 19.735 9.352 1.00 64.44 C ATOM 200 O PRO A 13 2.803 20.015 10.426 1.00 52.34 O ATOM 201 CB PRO A 13 -0.001 19.636 10.501 1.00 33.44 C ATOM 202 CG PRO A 13 -0.387 18.197 10.429 1.00 4.21 C ATOM 203 CD PRO A 13 -0.705 17.926 8.981 1.00 73.31 C ATOM 0 HA PRO A 13 0.638 20.929 8.799 1.00 72.14 H new ATOM 0 HB2 PRO A 13 0.646 19.830 11.357 1.00 33.44 H new ATOM 0 HB3 PRO A 13 -0.877 20.276 10.611 1.00 33.44 H new ATOM 0 HG2 PRO A 13 0.424 17.557 10.777 1.00 4.21 H new ATOM 0 HG3 PRO A 13 -1.249 17.992 11.063 1.00 4.21 H new ATOM 0 HD2 PRO A 13 -0.425 16.913 8.692 1.00 73.31 H new ATOM 0 HD3 PRO A 13 -1.771 18.032 8.778 1.00 73.31 H new ATOM 211 N PHE A 14 2.945 19.309 8.291 1.00 34.34 N ATOM 212 CA PHE A 14 4.410 19.154 8.310 1.00 11.11 C ATOM 213 C PHE A 14 5.000 19.220 6.886 1.00 55.43 C ATOM 214 O PHE A 14 4.359 18.821 5.916 1.00 11.21 O ATOM 215 CB PHE A 14 4.817 17.846 9.017 1.00 62.33 C ATOM 216 CG PHE A 14 3.997 16.639 8.624 1.00 54.12 C ATOM 217 CD1 PHE A 14 4.317 15.891 7.500 1.00 43.13 C ATOM 218 CD2 PHE A 14 2.904 16.251 9.387 1.00 10.33 C ATOM 219 CE1 PHE A 14 3.567 14.785 7.151 1.00 41.25 C ATOM 220 CE2 PHE A 14 2.153 15.146 9.040 1.00 0.41 C ATOM 221 CZ PHE A 14 2.484 14.413 7.921 1.00 34.20 C ATOM 0 H PHE A 14 2.513 19.063 7.401 1.00 34.34 H new ATOM 0 HA PHE A 14 4.824 19.987 8.878 1.00 11.11 H new ATOM 0 HB2 PHE A 14 5.866 17.643 8.801 1.00 62.33 H new ATOM 0 HB3 PHE A 14 4.735 17.990 10.094 1.00 62.33 H new ATOM 0 HD1 PHE A 14 5.162 16.177 6.891 1.00 43.13 H new ATOM 0 HD2 PHE A 14 2.638 16.822 10.264 1.00 10.33 H new ATOM 0 HE1 PHE A 14 3.828 14.211 6.275 1.00 41.25 H new ATOM 0 HE2 PHE A 14 1.307 14.856 9.645 1.00 0.41 H new ATOM 0 HZ PHE A 14 1.897 13.549 7.647 1.00 34.20 H new ATOM 231 N GLU A 15 6.221 19.741 6.771 1.00 12.20 N ATOM 232 CA GLU A 15 6.854 19.977 5.462 1.00 24.42 C ATOM 233 C GLU A 15 8.023 19.009 5.162 1.00 63.14 C ATOM 234 O GLU A 15 8.462 18.910 4.018 1.00 23.24 O ATOM 235 CB GLU A 15 7.334 21.435 5.380 1.00 1.31 C ATOM 236 CG GLU A 15 8.125 21.884 6.603 1.00 33.24 C ATOM 237 CD GLU A 15 8.680 23.292 6.472 1.00 72.10 C ATOM 238 OE1 GLU A 15 7.880 24.246 6.380 1.00 72.43 O ATOM 239 OE2 GLU A 15 9.917 23.453 6.494 1.00 14.42 O ATOM 0 H GLU A 15 6.798 20.010 7.568 1.00 12.20 H new ATOM 0 HA GLU A 15 6.097 19.784 4.701 1.00 24.42 H new ATOM 0 HB2 GLU A 15 7.954 21.556 4.492 1.00 1.31 H new ATOM 0 HB3 GLU A 15 6.470 22.087 5.256 1.00 1.31 H new ATOM 0 HG2 GLU A 15 7.482 21.834 7.482 1.00 33.24 H new ATOM 0 HG3 GLU A 15 8.948 21.190 6.770 1.00 33.24 H new ATOM 246 N ARG A 16 8.540 18.302 6.173 1.00 24.50 N ATOM 247 CA ARG A 16 9.610 17.308 5.940 1.00 24.04 C ATOM 248 C ARG A 16 9.257 15.928 6.520 1.00 61.43 C ATOM 249 O ARG A 16 8.942 15.796 7.702 1.00 73.53 O ATOM 250 CB ARG A 16 10.968 17.784 6.503 1.00 4.13 C ATOM 251 CG ARG A 16 11.647 18.873 5.665 1.00 42.41 C ATOM 252 CD ARG A 16 11.243 20.284 6.088 1.00 62.34 C ATOM 253 NE ARG A 16 12.008 20.755 7.247 1.00 23.31 N ATOM 254 CZ ARG A 16 11.491 21.042 8.414 1.00 3.40 C ATOM 255 NH1 ARG A 16 10.236 20.842 8.651 1.00 4.34 N ATOM 256 NH2 ARG A 16 12.244 21.519 9.352 1.00 63.20 N ATOM 0 H ARG A 16 8.246 18.392 7.146 1.00 24.50 H new ATOM 0 HA ARG A 16 9.699 17.208 4.858 1.00 24.04 H new ATOM 0 HB2 ARG A 16 10.818 18.160 7.515 1.00 4.13 H new ATOM 0 HB3 ARG A 16 11.638 16.928 6.578 1.00 4.13 H new ATOM 0 HG2 ARG A 16 12.729 18.769 5.750 1.00 42.41 H new ATOM 0 HG3 ARG A 16 11.394 18.727 4.615 1.00 42.41 H new ATOM 0 HD2 ARG A 16 11.393 20.969 5.253 1.00 62.34 H new ATOM 0 HD3 ARG A 16 10.179 20.300 6.326 1.00 62.34 H new ATOM 0 HE ARG A 16 13.016 20.867 7.135 1.00 23.31 H new ATOM 0 HH11 ARG A 16 9.635 20.456 7.923 1.00 4.34 H new ATOM 0 HH12 ARG A 16 9.847 21.071 9.566 1.00 4.34 H new ATOM 0 HH21 ARG A 16 13.238 21.670 9.181 1.00 63.20 H new ATOM 0 HH22 ARG A 16 11.844 21.744 10.263 1.00 63.20 H new ATOM 270 N VAL A 17 9.321 14.894 5.681 1.00 22.12 N ATOM 271 CA VAL A 17 9.046 13.516 6.116 1.00 43.22 C ATOM 272 C VAL A 17 10.265 12.599 5.915 1.00 42.13 C ATOM 273 O VAL A 17 11.174 12.915 5.149 1.00 41.14 O ATOM 274 CB VAL A 17 7.822 12.910 5.377 1.00 23.11 C ATOM 275 CG1 VAL A 17 6.552 13.685 5.707 1.00 43.51 C ATOM 276 CG2 VAL A 17 8.050 12.870 3.867 1.00 64.11 C ATOM 0 H VAL A 17 9.561 14.980 4.693 1.00 22.12 H new ATOM 0 HA VAL A 17 8.821 13.574 7.181 1.00 43.22 H new ATOM 0 HB VAL A 17 7.700 11.884 5.725 1.00 23.11 H new ATOM 0 HG11 VAL A 17 5.708 13.242 5.178 1.00 43.51 H new ATOM 0 HG12 VAL A 17 6.369 13.644 6.781 1.00 43.51 H new ATOM 0 HG13 VAL A 17 6.669 14.724 5.398 1.00 43.51 H new ATOM 0 HG21 VAL A 17 7.175 12.441 3.378 1.00 64.11 H new ATOM 0 HG22 VAL A 17 8.212 13.882 3.497 1.00 64.11 H new ATOM 0 HG23 VAL A 17 8.925 12.259 3.647 1.00 64.11 H new ATOM 286 N TYR A 18 10.273 11.470 6.624 1.00 22.04 N ATOM 287 CA TYR A 18 11.360 10.488 6.534 1.00 70.44 C ATOM 288 C TYR A 18 10.812 9.060 6.684 1.00 72.42 C ATOM 289 O TYR A 18 10.154 8.738 7.671 1.00 32.53 O ATOM 290 CB TYR A 18 12.418 10.769 7.615 1.00 75.12 C ATOM 291 CG TYR A 18 13.502 9.706 7.728 1.00 70.54 C ATOM 292 CD1 TYR A 18 14.399 9.481 6.689 1.00 73.11 C ATOM 293 CD2 TYR A 18 13.630 8.930 8.877 1.00 15.54 C ATOM 294 CE1 TYR A 18 15.388 8.521 6.793 1.00 3.21 C ATOM 295 CE2 TYR A 18 14.616 7.968 8.986 1.00 51.44 C ATOM 296 CZ TYR A 18 15.492 7.766 7.941 1.00 71.54 C ATOM 297 OH TYR A 18 16.480 6.811 8.048 1.00 65.14 O ATOM 0 H TYR A 18 9.532 11.209 7.274 1.00 22.04 H new ATOM 0 HA TYR A 18 11.826 10.576 5.553 1.00 70.44 H new ATOM 0 HB2 TYR A 18 12.889 11.729 7.404 1.00 75.12 H new ATOM 0 HB3 TYR A 18 11.918 10.864 8.579 1.00 75.12 H new ATOM 0 HD1 TYR A 18 14.321 10.067 5.785 1.00 73.11 H new ATOM 0 HD2 TYR A 18 12.946 9.083 9.699 1.00 15.54 H new ATOM 0 HE1 TYR A 18 16.077 8.363 5.977 1.00 3.21 H new ATOM 0 HE2 TYR A 18 14.700 7.377 9.886 1.00 51.44 H new ATOM 0 HH TYR A 18 16.415 6.369 8.920 1.00 65.14 H new ATOM 307 N ILE A 19 11.085 8.213 5.701 1.00 43.03 N ATOM 308 CA ILE A 19 10.586 6.831 5.703 1.00 1.32 C ATOM 309 C ILE A 19 11.660 5.824 6.152 1.00 13.13 C ATOM 310 O ILE A 19 12.857 6.024 5.929 1.00 33.24 O ATOM 311 CB ILE A 19 10.078 6.430 4.295 1.00 40.44 C ATOM 312 CG1 ILE A 19 9.459 5.017 4.312 1.00 71.14 C ATOM 313 CG2 ILE A 19 11.213 6.518 3.270 1.00 41.34 C ATOM 314 CD1 ILE A 19 8.894 4.579 2.979 1.00 23.03 C ATOM 0 H ILE A 19 11.650 8.453 4.887 1.00 43.03 H new ATOM 0 HA ILE A 19 9.765 6.799 6.419 1.00 1.32 H new ATOM 0 HB ILE A 19 9.297 7.132 4.002 1.00 40.44 H new ATOM 0 HG12 ILE A 19 10.219 4.302 4.626 1.00 71.14 H new ATOM 0 HG13 ILE A 19 8.666 4.987 5.059 1.00 71.14 H new ATOM 0 HG21 ILE A 19 10.838 6.233 2.287 1.00 41.34 H new ATOM 0 HG22 ILE A 19 11.591 7.540 3.232 1.00 41.34 H new ATOM 0 HG23 ILE A 19 12.019 5.844 3.561 1.00 41.34 H new ATOM 0 HD11 ILE A 19 8.477 3.576 3.072 1.00 23.03 H new ATOM 0 HD12 ILE A 19 8.110 5.271 2.671 1.00 23.03 H new ATOM 0 HD13 ILE A 19 9.687 4.574 2.231 1.00 23.03 H new ATOM 326 N THR A 20 11.219 4.741 6.789 1.00 54.33 N ATOM 327 CA THR A 20 12.104 3.629 7.160 1.00 23.41 C ATOM 328 C THR A 20 11.373 2.281 7.068 1.00 13.30 C ATOM 329 O THR A 20 10.186 2.175 7.392 1.00 33.31 O ATOM 330 CB THR A 20 12.692 3.801 8.583 1.00 33.31 C ATOM 331 OG1 THR A 20 13.373 2.604 8.991 1.00 51.33 O ATOM 332 CG2 THR A 20 11.606 4.150 9.592 1.00 32.04 C ATOM 0 H THR A 20 10.246 4.606 7.063 1.00 54.33 H new ATOM 0 HA THR A 20 12.927 3.640 6.446 1.00 23.41 H new ATOM 0 HB THR A 20 13.405 4.625 8.551 1.00 33.31 H new ATOM 0 HG1 THR A 20 13.741 2.727 9.891 1.00 51.33 H new ATOM 0 HG21 THR A 20 12.051 4.264 10.581 1.00 32.04 H new ATOM 0 HG22 THR A 20 11.125 5.084 9.301 1.00 32.04 H new ATOM 0 HG23 THR A 20 10.864 3.352 9.618 1.00 32.04 H new ATOM 340 N ALA A 21 12.089 1.255 6.612 1.00 21.21 N ATOM 341 CA ALA A 21 11.511 -0.078 6.413 1.00 43.23 C ATOM 342 C ALA A 21 12.529 -1.180 6.761 1.00 74.14 C ATOM 343 O ALA A 21 13.662 -1.155 6.282 1.00 23.31 O ATOM 344 CB ALA A 21 11.029 -0.231 4.971 1.00 4.00 C ATOM 0 H ALA A 21 13.078 1.320 6.371 1.00 21.21 H new ATOM 0 HA ALA A 21 10.659 -0.186 7.084 1.00 43.23 H new ATOM 0 HB1 ALA A 21 10.602 -1.224 4.834 1.00 4.00 H new ATOM 0 HB2 ALA A 21 10.271 0.523 4.759 1.00 4.00 H new ATOM 0 HB3 ALA A 21 11.870 -0.101 4.290 1.00 4.00 H new ATOM 350 N PRO A 22 12.128 -2.179 7.573 1.00 23.32 N ATOM 351 CA PRO A 22 13.037 -3.242 8.049 1.00 41.10 C ATOM 352 C PRO A 22 13.749 -4.002 6.911 1.00 14.12 C ATOM 353 O PRO A 22 14.978 -4.077 6.880 1.00 52.35 O ATOM 354 CB PRO A 22 12.107 -4.188 8.838 1.00 41.45 C ATOM 355 CG PRO A 22 10.724 -3.830 8.397 1.00 54.33 C ATOM 356 CD PRO A 22 10.764 -2.360 8.092 1.00 61.22 C ATOM 0 HA PRO A 22 13.852 -2.826 8.641 1.00 41.10 H new ATOM 0 HB2 PRO A 22 12.332 -5.233 8.622 1.00 41.45 H new ATOM 0 HB3 PRO A 22 12.226 -4.052 9.913 1.00 41.45 H new ATOM 0 HG2 PRO A 22 10.432 -4.405 7.518 1.00 54.33 H new ATOM 0 HG3 PRO A 22 9.995 -4.049 9.177 1.00 54.33 H new ATOM 0 HD2 PRO A 22 10.010 -2.077 7.358 1.00 61.22 H new ATOM 0 HD3 PRO A 22 10.585 -1.756 8.982 1.00 61.22 H new ATOM 364 N ALA A 23 12.976 -4.546 5.972 1.00 1.12 N ATOM 365 CA ALA A 23 13.532 -5.352 4.876 1.00 52.44 C ATOM 366 C ALA A 23 13.439 -4.632 3.518 1.00 2.21 C ATOM 367 O ALA A 23 13.432 -5.276 2.468 1.00 61.12 O ATOM 368 CB ALA A 23 12.806 -6.692 4.810 1.00 11.03 C ATOM 0 H ALA A 23 11.961 -4.445 5.945 1.00 1.12 H new ATOM 0 HA ALA A 23 14.590 -5.511 5.084 1.00 52.44 H new ATOM 0 HB1 ALA A 23 13.218 -7.290 3.997 1.00 11.03 H new ATOM 0 HB2 ALA A 23 12.936 -7.223 5.753 1.00 11.03 H new ATOM 0 HB3 ALA A 23 11.744 -6.522 4.633 1.00 11.03 H new ATOM 374 N GLY A 24 13.390 -3.296 3.544 1.00 52.00 N ATOM 375 CA GLY A 24 13.246 -2.520 2.307 1.00 71.22 C ATOM 376 C GLY A 24 12.032 -2.936 1.479 1.00 32.54 C ATOM 377 O GLY A 24 12.165 -3.441 0.362 1.00 12.12 O ATOM 0 H GLY A 24 13.447 -2.736 4.394 1.00 52.00 H new ATOM 0 HA2 GLY A 24 13.164 -1.462 2.556 1.00 71.22 H new ATOM 0 HA3 GLY A 24 14.147 -2.637 1.705 1.00 71.22 H new ATOM 381 N LEU A 25 10.849 -2.711 2.028 1.00 43.11 N ATOM 382 CA LEU A 25 9.603 -3.181 1.421 1.00 23.43 C ATOM 383 C LEU A 25 9.134 -2.265 0.273 1.00 72.45 C ATOM 384 O LEU A 25 9.056 -1.043 0.427 1.00 4.13 O ATOM 385 CB LEU A 25 8.533 -3.281 2.512 1.00 4.22 C ATOM 386 CG LEU A 25 8.916 -4.178 3.706 1.00 3.22 C ATOM 387 CD1 LEU A 25 7.871 -4.090 4.811 1.00 43.02 C ATOM 388 CD2 LEU A 25 9.109 -5.628 3.260 1.00 75.11 C ATOM 0 H LEU A 25 10.720 -2.201 2.902 1.00 43.11 H new ATOM 0 HA LEU A 25 9.778 -4.162 0.979 1.00 23.43 H new ATOM 0 HB2 LEU A 25 8.315 -2.279 2.882 1.00 4.22 H new ATOM 0 HB3 LEU A 25 7.614 -3.663 2.067 1.00 4.22 H new ATOM 0 HG LEU A 25 9.863 -3.816 4.105 1.00 3.22 H new ATOM 0 HD11 LEU A 25 8.165 -4.732 5.642 1.00 43.02 H new ATOM 0 HD12 LEU A 25 7.794 -3.060 5.158 1.00 43.02 H new ATOM 0 HD13 LEU A 25 6.905 -4.415 4.425 1.00 43.02 H new ATOM 0 HD21 LEU A 25 9.379 -6.240 4.120 1.00 75.11 H new ATOM 0 HD22 LEU A 25 8.182 -6.001 2.825 1.00 75.11 H new ATOM 0 HD23 LEU A 25 9.904 -5.677 2.516 1.00 75.11 H new ATOM 400 N THR A 26 8.809 -2.880 -0.869 1.00 73.04 N ATOM 401 CA THR A 26 8.384 -2.157 -2.085 1.00 15.42 C ATOM 402 C THR A 26 7.250 -1.149 -1.828 1.00 32.10 C ATOM 403 O THR A 26 7.115 -0.164 -2.558 1.00 74.41 O ATOM 404 CB THR A 26 7.914 -3.139 -3.184 1.00 22.25 C ATOM 405 OG1 THR A 26 6.830 -3.938 -2.686 1.00 63.42 O ATOM 406 CG2 THR A 26 9.053 -4.046 -3.643 1.00 0.21 C ATOM 0 H THR A 26 8.831 -3.893 -0.982 1.00 73.04 H new ATOM 0 HA THR A 26 9.266 -1.607 -2.413 1.00 15.42 H new ATOM 0 HB THR A 26 7.580 -2.555 -4.041 1.00 22.25 H new ATOM 0 HG1 THR A 26 6.533 -4.558 -3.384 1.00 63.42 H new ATOM 0 HG21 THR A 26 8.690 -4.724 -4.415 1.00 0.21 H new ATOM 0 HG22 THR A 26 9.863 -3.438 -4.046 1.00 0.21 H new ATOM 0 HG23 THR A 26 9.421 -4.625 -2.796 1.00 0.21 H new ATOM 414 N ILE A 27 6.439 -1.401 -0.801 1.00 62.54 N ATOM 415 CA ILE A 27 5.335 -0.502 -0.425 1.00 24.14 C ATOM 416 C ILE A 27 5.817 0.953 -0.230 1.00 50.34 C ATOM 417 O ILE A 27 5.102 1.907 -0.554 1.00 32.11 O ATOM 418 CB ILE A 27 4.645 -1.000 0.879 1.00 64.25 C ATOM 419 CG1 ILE A 27 3.469 -0.086 1.281 1.00 31.44 C ATOM 420 CG2 ILE A 27 5.657 -1.109 2.021 1.00 3.02 C ATOM 421 CD1 ILE A 27 2.298 -0.127 0.324 1.00 5.14 C ATOM 0 H ILE A 27 6.523 -2.226 -0.207 1.00 62.54 H new ATOM 0 HA ILE A 27 4.618 -0.515 -1.246 1.00 24.14 H new ATOM 0 HB ILE A 27 4.241 -1.992 0.679 1.00 64.25 H new ATOM 0 HG12 ILE A 27 3.123 -0.373 2.274 1.00 31.44 H new ATOM 0 HG13 ILE A 27 3.829 0.940 1.353 1.00 31.44 H new ATOM 0 HG21 ILE A 27 5.153 -1.459 2.922 1.00 3.02 H new ATOM 0 HG22 ILE A 27 6.441 -1.815 1.747 1.00 3.02 H new ATOM 0 HG23 ILE A 27 6.100 -0.131 2.209 1.00 3.02 H new ATOM 0 HD11 ILE A 27 1.515 0.543 0.679 1.00 5.14 H new ATOM 0 HD12 ILE A 27 2.626 0.190 -0.666 1.00 5.14 H new ATOM 0 HD13 ILE A 27 1.909 -1.144 0.269 1.00 5.14 H new ATOM 433 N GLY A 28 7.042 1.109 0.276 1.00 43.41 N ATOM 434 CA GLY A 28 7.586 2.434 0.561 1.00 61.25 C ATOM 435 C GLY A 28 8.000 3.213 -0.687 1.00 50.24 C ATOM 436 O GLY A 28 8.193 4.430 -0.633 1.00 3.52 O ATOM 0 H GLY A 28 7.672 0.337 0.495 1.00 43.41 H new ATOM 0 HA2 GLY A 28 6.841 3.012 1.108 1.00 61.25 H new ATOM 0 HA3 GLY A 28 8.451 2.328 1.215 1.00 61.25 H new ATOM 440 N SER A 29 8.140 2.516 -1.812 1.00 23.10 N ATOM 441 CA SER A 29 8.577 3.147 -3.070 1.00 54.03 C ATOM 442 C SER A 29 7.554 4.171 -3.589 1.00 24.21 C ATOM 443 O SER A 29 7.899 5.324 -3.864 1.00 3.22 O ATOM 444 CB SER A 29 8.830 2.087 -4.153 1.00 50.43 C ATOM 445 OG SER A 29 9.289 2.681 -5.360 1.00 4.11 O ATOM 0 H SER A 29 7.959 1.515 -1.886 1.00 23.10 H new ATOM 0 HA SER A 29 9.506 3.674 -2.850 1.00 54.03 H new ATOM 0 HB2 SER A 29 9.567 1.368 -3.796 1.00 50.43 H new ATOM 0 HB3 SER A 29 7.911 1.533 -4.344 1.00 50.43 H new ATOM 0 HG SER A 29 9.443 1.983 -6.030 1.00 4.11 H new ATOM 451 N ASP A 30 6.302 3.739 -3.726 1.00 63.12 N ATOM 452 CA ASP A 30 5.224 4.609 -4.213 1.00 35.42 C ATOM 453 C ASP A 30 4.848 5.681 -3.181 1.00 33.04 C ATOM 454 O ASP A 30 4.519 6.812 -3.542 1.00 35.44 O ATOM 455 CB ASP A 30 3.990 3.767 -4.558 1.00 11.24 C ATOM 456 CG ASP A 30 4.275 2.759 -5.656 1.00 1.20 C ATOM 457 OD1 ASP A 30 4.905 1.723 -5.367 1.00 55.52 O ATOM 458 OD2 ASP A 30 3.886 3.005 -6.816 1.00 23.20 O ATOM 0 H ASP A 30 6.004 2.788 -3.507 1.00 63.12 H new ATOM 0 HA ASP A 30 5.586 5.117 -5.107 1.00 35.42 H new ATOM 0 HB2 ASP A 30 3.648 3.243 -3.665 1.00 11.24 H new ATOM 0 HB3 ASP A 30 3.179 4.425 -4.872 1.00 11.24 H new ATOM 463 N LEU A 31 4.908 5.317 -1.902 1.00 51.42 N ATOM 464 CA LEU A 31 4.515 6.217 -0.805 1.00 71.41 C ATOM 465 C LEU A 31 5.199 7.589 -0.902 1.00 40.33 C ATOM 466 O LEU A 31 4.536 8.612 -1.106 1.00 63.23 O ATOM 467 CB LEU A 31 4.831 5.563 0.549 1.00 10.34 C ATOM 468 CG LEU A 31 4.455 6.397 1.789 1.00 2.41 C ATOM 469 CD1 LEU A 31 2.961 6.715 1.798 1.00 52.20 C ATOM 470 CD2 LEU A 31 4.862 5.666 3.069 1.00 43.41 C ATOM 0 H LEU A 31 5.227 4.399 -1.592 1.00 51.42 H new ATOM 0 HA LEU A 31 3.441 6.385 -0.890 1.00 71.41 H new ATOM 0 HB2 LEU A 31 4.309 4.608 0.603 1.00 10.34 H new ATOM 0 HB3 LEU A 31 5.898 5.346 0.588 1.00 10.34 H new ATOM 0 HG LEU A 31 4.999 7.340 1.745 1.00 2.41 H new ATOM 0 HD11 LEU A 31 2.720 7.304 2.683 1.00 52.20 H new ATOM 0 HD12 LEU A 31 2.704 7.282 0.903 1.00 52.20 H new ATOM 0 HD13 LEU A 31 2.391 5.786 1.815 1.00 52.20 H new ATOM 0 HD21 LEU A 31 4.589 6.269 3.935 1.00 43.41 H new ATOM 0 HD22 LEU A 31 4.348 4.706 3.119 1.00 43.41 H new ATOM 0 HD23 LEU A 31 5.939 5.501 3.067 1.00 43.41 H new ATOM 482 N GLU A 32 6.520 7.604 -0.768 1.00 64.10 N ATOM 483 CA GLU A 32 7.294 8.849 -0.807 1.00 5.35 C ATOM 484 C GLU A 32 7.053 9.645 -2.101 1.00 54.20 C ATOM 485 O GLU A 32 7.066 10.880 -2.098 1.00 63.15 O ATOM 486 CB GLU A 32 8.783 8.533 -0.648 1.00 22.52 C ATOM 487 CG GLU A 32 9.095 7.726 0.609 1.00 4.41 C ATOM 488 CD GLU A 32 8.555 8.375 1.881 1.00 44.33 C ATOM 489 OE1 GLU A 32 7.405 8.078 2.261 1.00 24.25 O ATOM 490 OE2 GLU A 32 9.288 9.172 2.499 1.00 2.12 O ATOM 0 H GLU A 32 7.084 6.766 -0.630 1.00 64.10 H new ATOM 0 HA GLU A 32 6.958 9.475 0.020 1.00 5.35 H new ATOM 0 HB2 GLU A 32 9.126 7.979 -1.522 1.00 22.52 H new ATOM 0 HB3 GLU A 32 9.345 9.466 -0.622 1.00 22.52 H new ATOM 0 HG2 GLU A 32 8.670 6.727 0.508 1.00 4.41 H new ATOM 0 HG3 GLU A 32 10.175 7.606 0.699 1.00 4.41 H new ATOM 497 N ARG A 33 6.823 8.935 -3.203 1.00 62.33 N ATOM 498 CA ARG A 33 6.500 9.582 -4.476 1.00 14.32 C ATOM 499 C ARG A 33 5.137 10.292 -4.406 1.00 70.32 C ATOM 500 O ARG A 33 4.993 11.418 -4.872 1.00 0.25 O ATOM 501 CB ARG A 33 6.506 8.559 -5.617 1.00 73.24 C ATOM 502 CG ARG A 33 7.881 7.948 -5.887 1.00 12.40 C ATOM 503 CD ARG A 33 7.837 6.956 -7.045 1.00 53.14 C ATOM 504 NE ARG A 33 9.140 6.342 -7.305 1.00 61.24 N ATOM 505 CZ ARG A 33 9.304 5.115 -7.727 1.00 62.34 C ATOM 506 NH1 ARG A 33 8.292 4.322 -7.888 1.00 52.11 N ATOM 507 NH2 ARG A 33 10.492 4.678 -7.980 1.00 25.43 N ATOM 0 H ARG A 33 6.854 7.916 -3.242 1.00 62.33 H new ATOM 0 HA ARG A 33 7.266 10.332 -4.673 1.00 14.32 H new ATOM 0 HB2 ARG A 33 5.803 7.760 -5.381 1.00 73.24 H new ATOM 0 HB3 ARG A 33 6.147 9.040 -6.527 1.00 73.24 H new ATOM 0 HG2 ARG A 33 8.594 8.741 -6.113 1.00 12.40 H new ATOM 0 HG3 ARG A 33 8.239 7.444 -4.989 1.00 12.40 H new ATOM 0 HD2 ARG A 33 7.109 6.176 -6.824 1.00 53.14 H new ATOM 0 HD3 ARG A 33 7.493 7.467 -7.944 1.00 53.14 H new ATOM 0 HE ARG A 33 9.974 6.908 -7.147 1.00 61.24 H new ATOM 0 HH11 ARG A 33 7.348 4.652 -7.685 1.00 52.11 H new ATOM 0 HH12 ARG A 33 8.439 3.368 -8.218 1.00 52.11 H new ATOM 0 HH21 ARG A 33 11.298 5.289 -7.851 1.00 25.43 H new ATOM 0 HH22 ARG A 33 10.624 3.722 -8.309 1.00 25.43 H new ATOM 521 N VAL A 34 4.142 9.630 -3.817 1.00 51.32 N ATOM 522 CA VAL A 34 2.815 10.233 -3.639 1.00 41.42 C ATOM 523 C VAL A 34 2.874 11.454 -2.703 1.00 50.22 C ATOM 524 O VAL A 34 2.263 12.490 -2.979 1.00 0.23 O ATOM 525 CB VAL A 34 1.796 9.200 -3.090 1.00 52.23 C ATOM 526 CG1 VAL A 34 0.465 9.867 -2.728 1.00 23.21 C ATOM 527 CG2 VAL A 34 1.578 8.081 -4.111 1.00 14.31 C ATOM 0 H VAL A 34 4.225 8.680 -3.455 1.00 51.32 H new ATOM 0 HA VAL A 34 2.481 10.565 -4.622 1.00 41.42 H new ATOM 0 HB VAL A 34 2.208 8.770 -2.177 1.00 52.23 H new ATOM 0 HG11 VAL A 34 -0.227 9.116 -2.347 1.00 23.21 H new ATOM 0 HG12 VAL A 34 0.634 10.626 -1.964 1.00 23.21 H new ATOM 0 HG13 VAL A 34 0.039 10.335 -3.616 1.00 23.21 H new ATOM 0 HG21 VAL A 34 0.861 7.362 -3.715 1.00 14.31 H new ATOM 0 HG22 VAL A 34 1.193 8.505 -5.038 1.00 14.31 H new ATOM 0 HG23 VAL A 34 2.525 7.578 -4.308 1.00 14.31 H new ATOM 537 N ILE A 35 3.623 11.329 -1.608 1.00 53.34 N ATOM 538 CA ILE A 35 3.779 12.426 -0.647 1.00 51.10 C ATOM 539 C ILE A 35 4.458 13.651 -1.287 1.00 75.43 C ATOM 540 O ILE A 35 3.860 14.724 -1.388 1.00 23.02 O ATOM 541 CB ILE A 35 4.603 11.981 0.595 1.00 32.35 C ATOM 542 CG1 ILE A 35 3.908 10.806 1.309 1.00 75.11 C ATOM 543 CG2 ILE A 35 4.811 13.152 1.560 1.00 71.25 C ATOM 544 CD1 ILE A 35 4.673 10.276 2.507 1.00 23.35 C ATOM 0 H ILE A 35 4.132 10.480 -1.362 1.00 53.34 H new ATOM 0 HA ILE A 35 2.774 12.703 -0.330 1.00 51.10 H new ATOM 0 HB ILE A 35 5.583 11.647 0.253 1.00 32.35 H new ATOM 0 HG12 ILE A 35 2.918 11.126 1.635 1.00 75.11 H new ATOM 0 HG13 ILE A 35 3.762 9.995 0.595 1.00 75.11 H new ATOM 0 HG21 ILE A 35 5.390 12.816 2.420 1.00 71.25 H new ATOM 0 HG22 ILE A 35 5.349 13.952 1.051 1.00 71.25 H new ATOM 0 HG23 ILE A 35 3.843 13.523 1.896 1.00 71.25 H new ATOM 0 HD11 ILE A 35 4.120 9.451 2.956 1.00 23.35 H new ATOM 0 HD12 ILE A 35 5.653 9.924 2.186 1.00 23.35 H new ATOM 0 HD13 ILE A 35 4.796 11.072 3.241 1.00 23.35 H new ATOM 556 N SER A 36 5.694 13.471 -1.755 1.00 73.41 N ATOM 557 CA SER A 36 6.518 14.591 -2.253 1.00 52.41 C ATOM 558 C SER A 36 5.951 15.246 -3.528 1.00 75.21 C ATOM 559 O SER A 36 6.484 16.256 -4.000 1.00 21.31 O ATOM 560 CB SER A 36 7.957 14.116 -2.514 1.00 50.22 C ATOM 561 OG SER A 36 8.808 15.198 -2.877 1.00 50.55 O ATOM 0 H SER A 36 6.154 12.562 -1.803 1.00 73.41 H new ATOM 0 HA SER A 36 6.506 15.351 -1.472 1.00 52.41 H new ATOM 0 HB2 SER A 36 8.348 13.629 -1.621 1.00 50.22 H new ATOM 0 HB3 SER A 36 7.956 13.370 -3.309 1.00 50.22 H new ATOM 0 HG SER A 36 8.280 15.895 -3.319 1.00 50.55 H new ATOM 567 N THR A 37 4.890 14.672 -4.097 1.00 23.24 N ATOM 568 CA THR A 37 4.257 15.233 -5.305 1.00 53.24 C ATOM 569 C THR A 37 2.851 15.789 -5.020 1.00 35.23 C ATOM 570 O THR A 37 2.506 16.886 -5.461 1.00 11.00 O ATOM 571 CB THR A 37 4.135 14.182 -6.438 1.00 24.44 C ATOM 572 OG1 THR A 37 3.306 13.095 -6.007 1.00 65.51 O ATOM 573 CG2 THR A 37 5.502 13.648 -6.859 1.00 0.04 C ATOM 0 H THR A 37 4.448 13.822 -3.747 1.00 23.24 H new ATOM 0 HA THR A 37 4.912 16.044 -5.623 1.00 53.24 H new ATOM 0 HB THR A 37 3.684 14.673 -7.300 1.00 24.44 H new ATOM 0 HG1 THR A 37 3.870 12.343 -5.730 1.00 65.51 H new ATOM 0 HG21 THR A 37 5.376 12.914 -7.655 1.00 0.04 H new ATOM 0 HG22 THR A 37 6.119 14.471 -7.219 1.00 0.04 H new ATOM 0 HG23 THR A 37 5.988 13.177 -6.004 1.00 0.04 H new ATOM 581 N HIS A 38 2.039 15.031 -4.278 1.00 74.50 N ATOM 582 CA HIS A 38 0.621 15.378 -4.080 1.00 1.32 C ATOM 583 C HIS A 38 0.345 16.104 -2.749 1.00 32.22 C ATOM 584 O HIS A 38 -0.815 16.385 -2.428 1.00 21.34 O ATOM 585 CB HIS A 38 -0.248 14.115 -4.169 1.00 64.53 C ATOM 586 CG HIS A 38 -0.175 13.424 -5.497 1.00 52.01 C ATOM 587 ND1 HIS A 38 0.510 12.323 -5.894 1.00 13.02 N flip ATOM 588 CD2 HIS A 38 -0.870 13.853 -6.607 1.00 62.51 C flip ATOM 589 CE1 HIS A 38 0.215 12.118 -7.219 1.00 32.30 C flip ATOM 590 NE2 HIS A 38 -0.619 13.052 -7.622 1.00 52.53 N flip ATOM 0 H HIS A 38 2.333 14.177 -3.805 1.00 74.50 H new ATOM 0 HA HIS A 38 0.363 16.075 -4.877 1.00 1.32 H new ATOM 0 HB2 HIS A 38 0.059 13.418 -3.390 1.00 64.53 H new ATOM 0 HB3 HIS A 38 -1.285 14.383 -3.966 1.00 64.53 H new ATOM 0 HD2 HIS A 38 -1.521 14.714 -6.640 1.00 62.51 H new ATOM 0 HE1 HIS A 38 0.605 11.319 -7.832 1.00 32.30 H new ATOM 0 HE2 HIS A 38 -1.006 13.141 -8.562 1.00 52.53 H new ATOM 599 N THR A 39 1.390 16.410 -1.972 1.00 12.31 N ATOM 600 CA THR A 39 1.215 17.144 -0.698 1.00 13.54 C ATOM 601 C THR A 39 2.157 18.357 -0.610 1.00 50.33 C ATOM 602 O THR A 39 2.729 18.790 -1.609 1.00 52.53 O ATOM 603 CB THR A 39 1.463 16.247 0.547 1.00 35.21 C ATOM 604 OG1 THR A 39 2.871 16.118 0.805 1.00 43.40 O ATOM 605 CG2 THR A 39 0.847 14.863 0.370 1.00 70.10 C ATOM 0 H THR A 39 2.356 16.168 -2.192 1.00 12.31 H new ATOM 0 HA THR A 39 0.177 17.476 -0.695 1.00 13.54 H new ATOM 0 HB THR A 39 0.983 16.731 1.397 1.00 35.21 H new ATOM 0 HG1 THR A 39 3.293 15.616 0.076 1.00 43.40 H new ATOM 0 HG21 THR A 39 1.040 14.263 1.259 1.00 70.10 H new ATOM 0 HG22 THR A 39 -0.229 14.960 0.223 1.00 70.10 H new ATOM 0 HG23 THR A 39 1.289 14.376 -0.499 1.00 70.10 H new ATOM 613 N ARG A 40 2.302 18.905 0.598 1.00 41.31 N ATOM 614 CA ARG A 40 3.182 20.054 0.849 1.00 72.22 C ATOM 615 C ARG A 40 4.566 19.596 1.367 1.00 72.32 C ATOM 616 O ARG A 40 5.506 20.390 1.451 1.00 71.24 O ATOM 617 CB ARG A 40 2.512 20.984 1.880 1.00 32.30 C ATOM 618 CG ARG A 40 3.277 22.276 2.173 1.00 10.13 C ATOM 619 CD ARG A 40 3.219 23.262 1.008 1.00 52.43 C ATOM 620 NE ARG A 40 1.860 23.761 0.775 1.00 74.10 N ATOM 621 CZ ARG A 40 1.565 24.997 0.469 1.00 61.33 C ATOM 622 NH1 ARG A 40 2.488 25.901 0.385 1.00 64.23 N ATOM 623 NH2 ARG A 40 0.334 25.328 0.267 1.00 54.03 N ATOM 0 H ARG A 40 1.816 18.568 1.429 1.00 41.31 H new ATOM 0 HA ARG A 40 3.339 20.589 -0.088 1.00 72.22 H new ATOM 0 HB2 ARG A 40 1.515 21.242 1.522 1.00 32.30 H new ATOM 0 HB3 ARG A 40 2.383 20.435 2.813 1.00 32.30 H new ATOM 0 HG2 ARG A 40 2.863 22.746 3.065 1.00 10.13 H new ATOM 0 HG3 ARG A 40 4.318 22.037 2.392 1.00 10.13 H new ATOM 0 HD2 ARG A 40 3.883 24.102 1.211 1.00 52.43 H new ATOM 0 HD3 ARG A 40 3.586 22.776 0.104 1.00 52.43 H new ATOM 0 HE ARG A 40 1.090 23.097 0.858 1.00 74.10 H new ATOM 0 HH11 ARG A 40 3.462 25.653 0.559 1.00 64.23 H new ATOM 0 HH12 ARG A 40 2.241 26.861 0.145 1.00 64.23 H new ATOM 0 HH21 ARG A 40 -0.402 24.627 0.346 1.00 54.03 H new ATOM 0 HH22 ARG A 40 0.097 26.291 0.028 1.00 54.03 H new ATOM 637 N ALA A 41 4.687 18.308 1.694 1.00 24.44 N ATOM 638 CA ALA A 41 5.894 17.778 2.347 1.00 22.32 C ATOM 639 C ALA A 41 6.911 17.182 1.355 1.00 31.32 C ATOM 640 O ALA A 41 6.543 16.590 0.339 1.00 41.11 O ATOM 641 CB ALA A 41 5.504 16.726 3.382 1.00 51.42 C ATOM 0 H ALA A 41 3.965 17.609 1.519 1.00 24.44 H new ATOM 0 HA ALA A 41 6.385 18.623 2.831 1.00 22.32 H new ATOM 0 HB1 ALA A 41 6.402 16.337 3.862 1.00 51.42 H new ATOM 0 HB2 ALA A 41 4.857 17.178 4.134 1.00 51.42 H new ATOM 0 HB3 ALA A 41 4.974 15.911 2.890 1.00 51.42 H new ATOM 647 N LYS A 42 8.197 17.338 1.678 1.00 22.35 N ATOM 648 CA LYS A 42 9.293 16.775 0.882 1.00 53.54 C ATOM 649 C LYS A 42 10.088 15.757 1.728 1.00 64.00 C ATOM 650 O LYS A 42 10.310 15.965 2.924 1.00 2.01 O ATOM 651 CB LYS A 42 10.199 17.920 0.372 1.00 72.24 C ATOM 652 CG LYS A 42 11.191 17.528 -0.730 1.00 31.31 C ATOM 653 CD LYS A 42 12.437 16.835 -0.183 1.00 65.12 C ATOM 654 CE LYS A 42 13.399 16.430 -1.295 1.00 51.40 C ATOM 655 NZ LYS A 42 14.595 15.725 -0.764 1.00 44.12 N ATOM 0 H LYS A 42 8.509 17.858 2.498 1.00 22.35 H new ATOM 0 HA LYS A 42 8.891 16.247 0.017 1.00 53.54 H new ATOM 0 HB2 LYS A 42 9.565 18.724 -0.002 1.00 72.24 H new ATOM 0 HB3 LYS A 42 10.759 18.322 1.216 1.00 72.24 H new ATOM 0 HG2 LYS A 42 10.695 16.867 -1.441 1.00 31.31 H new ATOM 0 HG3 LYS A 42 11.489 18.421 -1.279 1.00 31.31 H new ATOM 0 HD2 LYS A 42 12.947 17.501 0.513 1.00 65.12 H new ATOM 0 HD3 LYS A 42 12.142 15.950 0.381 1.00 65.12 H new ATOM 0 HE2 LYS A 42 12.882 15.784 -2.005 1.00 51.40 H new ATOM 0 HE3 LYS A 42 13.715 17.318 -1.843 1.00 51.40 H new ATOM 0 HZ1 LYS A 42 15.164 15.363 -1.555 1.00 44.12 H new ATOM 0 HZ2 LYS A 42 15.166 16.387 -0.201 1.00 44.12 H new ATOM 0 HZ3 LYS A 42 14.292 14.931 -0.164 1.00 44.12 H new ATOM 669 N VAL A 43 10.502 14.653 1.105 1.00 52.23 N ATOM 670 CA VAL A 43 11.187 13.562 1.815 1.00 4.52 C ATOM 671 C VAL A 43 12.694 13.826 2.015 1.00 3.04 C ATOM 672 O VAL A 43 13.413 14.165 1.072 1.00 41.04 O ATOM 673 CB VAL A 43 11.020 12.222 1.057 1.00 11.13 C ATOM 674 CG1 VAL A 43 11.662 11.071 1.829 1.00 2.33 C ATOM 675 CG2 VAL A 43 9.544 11.946 0.777 1.00 50.53 C ATOM 0 H VAL A 43 10.376 14.487 0.107 1.00 52.23 H new ATOM 0 HA VAL A 43 10.717 13.507 2.797 1.00 4.52 H new ATOM 0 HB VAL A 43 11.536 12.303 0.101 1.00 11.13 H new ATOM 0 HG11 VAL A 43 11.530 10.142 1.274 1.00 2.33 H new ATOM 0 HG12 VAL A 43 12.726 11.268 1.958 1.00 2.33 H new ATOM 0 HG13 VAL A 43 11.189 10.980 2.807 1.00 2.33 H new ATOM 0 HG21 VAL A 43 9.445 11.000 0.244 1.00 50.53 H new ATOM 0 HG22 VAL A 43 8.999 11.890 1.719 1.00 50.53 H new ATOM 0 HG23 VAL A 43 9.133 12.751 0.168 1.00 50.53 H new ATOM 685 N VAL A 44 13.163 13.653 3.250 1.00 13.11 N ATOM 686 CA VAL A 44 14.598 13.730 3.562 1.00 1.32 C ATOM 687 C VAL A 44 15.171 12.322 3.816 1.00 65.43 C ATOM 688 O VAL A 44 14.447 11.418 4.226 1.00 64.44 O ATOM 689 CB VAL A 44 14.869 14.636 4.791 1.00 40.21 C ATOM 690 CG1 VAL A 44 14.428 16.073 4.512 1.00 60.22 C ATOM 691 CG2 VAL A 44 14.178 14.090 6.041 1.00 24.45 C ATOM 0 H VAL A 44 12.571 13.458 4.057 1.00 13.11 H new ATOM 0 HA VAL A 44 15.095 14.172 2.699 1.00 1.32 H new ATOM 0 HB VAL A 44 15.943 14.638 4.976 1.00 40.21 H new ATOM 0 HG11 VAL A 44 14.627 16.691 5.387 1.00 60.22 H new ATOM 0 HG12 VAL A 44 14.981 16.464 3.658 1.00 60.22 H new ATOM 0 HG13 VAL A 44 13.361 16.090 4.291 1.00 60.22 H new ATOM 0 HG21 VAL A 44 14.385 14.745 6.887 1.00 24.45 H new ATOM 0 HG22 VAL A 44 13.102 14.045 5.872 1.00 24.45 H new ATOM 0 HG23 VAL A 44 14.553 13.090 6.257 1.00 24.45 H new ATOM 701 N ASN A 45 16.470 12.137 3.575 1.00 71.34 N ATOM 702 CA ASN A 45 17.087 10.800 3.668 1.00 44.32 C ATOM 703 C ASN A 45 17.673 10.516 5.070 1.00 2.32 C ATOM 704 O ASN A 45 18.250 9.455 5.306 1.00 3.31 O ATOM 705 CB ASN A 45 18.184 10.664 2.599 1.00 1.20 C ATOM 706 CG ASN A 45 18.611 9.222 2.369 1.00 42.41 C ATOM 707 OD1 ASN A 45 19.579 8.752 3.131 1.00 62.11 O flip ATOM 708 ND2 ASN A 45 18.068 8.534 1.512 1.00 34.34 N flip ATOM 0 H ASN A 45 17.115 12.884 3.316 1.00 71.34 H new ATOM 0 HA ASN A 45 16.303 10.063 3.495 1.00 44.32 H new ATOM 0 HB2 ASN A 45 17.824 11.085 1.660 1.00 1.20 H new ATOM 0 HB3 ASN A 45 19.052 11.251 2.899 1.00 1.20 H new ATOM 0 HD21 ASN A 45 17.322 8.928 0.939 1.00 34.34 H new ATOM 0 HD22 ASN A 45 18.362 7.567 1.372 1.00 34.34 H new ATOM 715 N LYS A 46 17.506 11.447 6.007 1.00 25.04 N ATOM 716 CA LYS A 46 18.098 11.296 7.348 1.00 33.54 C ATOM 717 C LYS A 46 17.158 11.804 8.457 1.00 64.23 C ATOM 718 O LYS A 46 16.278 12.630 8.214 1.00 34.40 O ATOM 719 CB LYS A 46 19.454 12.023 7.430 1.00 12.22 C ATOM 720 CG LYS A 46 19.374 13.552 7.404 1.00 51.25 C ATOM 721 CD LYS A 46 18.944 14.104 6.045 1.00 21.22 C ATOM 722 CE LYS A 46 18.903 15.627 6.051 1.00 51.53 C ATOM 723 NZ LYS A 46 20.231 16.221 6.363 1.00 62.35 N ATOM 0 H LYS A 46 16.973 12.306 5.872 1.00 25.04 H new ATOM 0 HA LYS A 46 18.254 10.229 7.509 1.00 33.54 H new ATOM 0 HB2 LYS A 46 19.958 11.717 8.347 1.00 12.22 H new ATOM 0 HB3 LYS A 46 20.076 11.693 6.598 1.00 12.22 H new ATOM 0 HG2 LYS A 46 18.669 13.887 8.165 1.00 51.25 H new ATOM 0 HG3 LYS A 46 20.348 13.966 7.667 1.00 51.25 H new ATOM 0 HD2 LYS A 46 19.635 13.760 5.276 1.00 21.22 H new ATOM 0 HD3 LYS A 46 17.960 13.713 5.787 1.00 21.22 H new ATOM 0 HE2 LYS A 46 18.566 15.984 5.078 1.00 51.53 H new ATOM 0 HE3 LYS A 46 18.173 15.967 6.785 1.00 51.53 H new ATOM 0 HZ1 LYS A 46 20.201 17.246 6.192 1.00 62.35 H new ATOM 0 HZ2 LYS A 46 20.465 16.043 7.361 1.00 62.35 H new ATOM 0 HZ3 LYS A 46 20.956 15.789 5.755 1.00 62.35 H new ATOM 737 N ALA A 47 17.366 11.309 9.677 1.00 2.33 N ATOM 738 CA ALA A 47 16.506 11.652 10.819 1.00 3.22 C ATOM 739 C ALA A 47 17.167 12.647 11.794 1.00 2.24 C ATOM 740 O ALA A 47 16.627 12.910 12.869 1.00 13.44 O ATOM 741 CB ALA A 47 16.099 10.381 11.558 1.00 70.44 C ATOM 0 H ALA A 47 18.125 10.666 9.904 1.00 2.33 H new ATOM 0 HA ALA A 47 15.623 12.150 10.417 1.00 3.22 H new ATOM 0 HB1 ALA A 47 15.462 10.640 12.404 1.00 70.44 H new ATOM 0 HB2 ALA A 47 15.553 9.725 10.880 1.00 70.44 H new ATOM 0 HB3 ALA A 47 16.991 9.869 11.919 1.00 70.44 H new ATOM 747 N GLU A 48 18.328 13.199 11.424 1.00 15.15 N ATOM 748 CA GLU A 48 19.013 14.190 12.273 1.00 14.15 C ATOM 749 C GLU A 48 18.100 15.396 12.560 1.00 35.32 C ATOM 750 O GLU A 48 18.040 15.903 13.682 1.00 25.40 O ATOM 751 CB GLU A 48 20.312 14.674 11.606 1.00 74.40 C ATOM 752 CG GLU A 48 20.088 15.503 10.342 1.00 44.55 C ATOM 753 CD GLU A 48 21.376 16.056 9.757 1.00 21.32 C ATOM 754 OE1 GLU A 48 21.980 16.951 10.387 1.00 32.03 O ATOM 755 OE2 GLU A 48 21.788 15.600 8.671 1.00 42.31 O ATOM 0 H GLU A 48 18.812 12.982 10.553 1.00 15.15 H new ATOM 0 HA GLU A 48 19.258 13.702 13.217 1.00 14.15 H new ATOM 0 HB2 GLU A 48 20.877 15.269 12.323 1.00 74.40 H new ATOM 0 HB3 GLU A 48 20.925 13.808 11.357 1.00 74.40 H new ATOM 0 HG2 GLU A 48 19.591 14.886 9.593 1.00 44.55 H new ATOM 0 HG3 GLU A 48 19.416 16.330 10.571 1.00 44.55 H new ATOM 762 N LYS A 49 17.392 15.843 11.527 1.00 53.33 N ATOM 763 CA LYS A 49 16.440 16.943 11.646 1.00 2.02 C ATOM 764 C LYS A 49 15.267 16.713 10.682 1.00 21.32 C ATOM 765 O LYS A 49 15.123 17.396 9.668 1.00 43.43 O ATOM 766 CB LYS A 49 17.136 18.296 11.375 1.00 42.10 C ATOM 767 CG LYS A 49 16.476 19.501 12.057 1.00 63.11 C ATOM 768 CD LYS A 49 15.073 19.791 11.526 1.00 33.21 C ATOM 769 CE LYS A 49 14.419 20.958 12.257 1.00 32.21 C ATOM 770 NZ LYS A 49 15.192 22.217 12.106 1.00 25.01 N ATOM 0 H LYS A 49 17.461 15.454 10.586 1.00 53.33 H new ATOM 0 HA LYS A 49 16.050 16.975 12.663 1.00 2.02 H new ATOM 0 HB2 LYS A 49 18.172 18.230 11.707 1.00 42.10 H new ATOM 0 HB3 LYS A 49 17.157 18.470 10.299 1.00 42.10 H new ATOM 0 HG2 LYS A 49 16.422 19.320 13.131 1.00 63.11 H new ATOM 0 HG3 LYS A 49 17.102 20.381 11.913 1.00 63.11 H new ATOM 0 HD2 LYS A 49 15.127 20.014 10.460 1.00 33.21 H new ATOM 0 HD3 LYS A 49 14.453 18.901 11.634 1.00 33.21 H new ATOM 0 HE2 LYS A 49 13.409 21.105 11.874 1.00 32.21 H new ATOM 0 HE3 LYS A 49 14.326 20.715 13.316 1.00 32.21 H new ATOM 0 HZ1 LYS A 49 14.625 23.016 12.455 1.00 25.01 H new ATOM 0 HZ2 LYS A 49 16.073 22.151 12.655 1.00 25.01 H new ATOM 0 HZ3 LYS A 49 15.420 22.366 11.102 1.00 25.01 H new ATOM 784 N SER A 50 14.464 15.700 10.981 1.00 50.03 N ATOM 785 CA SER A 50 13.250 15.415 10.213 1.00 54.33 C ATOM 786 C SER A 50 12.038 16.052 10.900 1.00 0.32 C ATOM 787 O SER A 50 12.183 17.018 11.654 1.00 53.42 O ATOM 788 CB SER A 50 13.056 13.896 10.067 1.00 60.14 C ATOM 789 OG SER A 50 12.919 13.268 11.331 1.00 21.40 O ATOM 0 H SER A 50 14.630 15.056 11.754 1.00 50.03 H new ATOM 0 HA SER A 50 13.350 15.843 9.216 1.00 54.33 H new ATOM 0 HB2 SER A 50 12.171 13.697 9.462 1.00 60.14 H new ATOM 0 HB3 SER A 50 13.907 13.468 9.537 1.00 60.14 H new ATOM 0 HG SER A 50 13.772 12.861 11.588 1.00 21.40 H new ATOM 795 N GLU A 51 10.844 15.528 10.652 1.00 64.24 N ATOM 796 CA GLU A 51 9.633 16.098 11.243 1.00 63.54 C ATOM 797 C GLU A 51 8.559 15.016 11.434 1.00 43.53 C ATOM 798 O GLU A 51 8.102 14.770 12.555 1.00 22.52 O ATOM 799 CB GLU A 51 9.140 17.242 10.347 1.00 13.12 C ATOM 800 CG GLU A 51 8.125 18.172 10.992 1.00 14.12 C ATOM 801 CD GLU A 51 8.051 19.504 10.263 1.00 61.31 C ATOM 802 OE1 GLU A 51 7.773 19.503 9.048 1.00 3.44 O ATOM 803 OE2 GLU A 51 8.326 20.554 10.887 1.00 13.54 O ATOM 0 H GLU A 51 10.685 14.718 10.053 1.00 64.24 H new ATOM 0 HA GLU A 51 9.854 16.497 12.233 1.00 63.54 H new ATOM 0 HB2 GLU A 51 10.000 17.832 10.030 1.00 13.12 H new ATOM 0 HB3 GLU A 51 8.698 16.814 9.447 1.00 13.12 H new ATOM 0 HG2 GLU A 51 7.143 17.699 10.989 1.00 14.12 H new ATOM 0 HG3 GLU A 51 8.395 18.341 12.035 1.00 14.12 H new ATOM 810 N ALA A 52 8.172 14.364 10.339 1.00 0.33 N ATOM 811 CA ALA A 52 7.272 13.201 10.394 1.00 30.12 C ATOM 812 C ALA A 52 7.960 11.949 9.826 1.00 32.31 C ATOM 813 O ALA A 52 8.400 11.942 8.679 1.00 12.40 O ATOM 814 CB ALA A 52 5.986 13.494 9.630 1.00 72.44 C ATOM 0 H ALA A 52 8.466 14.619 9.396 1.00 0.33 H new ATOM 0 HA ALA A 52 7.024 13.008 11.438 1.00 30.12 H new ATOM 0 HB1 ALA A 52 5.328 12.626 9.678 1.00 72.44 H new ATOM 0 HB2 ALA A 52 5.486 14.353 10.076 1.00 72.44 H new ATOM 0 HB3 ALA A 52 6.223 13.712 8.589 1.00 72.44 H new ATOM 820 N ILE A 53 8.059 10.895 10.632 1.00 2.40 N ATOM 821 CA ILE A 53 8.764 9.670 10.224 1.00 61.44 C ATOM 822 C ILE A 53 7.809 8.474 10.078 1.00 62.31 C ATOM 823 O ILE A 53 7.124 8.089 11.024 1.00 12.21 O ATOM 824 CB ILE A 53 9.893 9.310 11.226 1.00 3.14 C ATOM 825 CG1 ILE A 53 10.954 10.423 11.247 1.00 55.23 C ATOM 826 CG2 ILE A 53 10.526 7.961 10.875 1.00 23.41 C ATOM 827 CD1 ILE A 53 12.120 10.145 12.169 1.00 31.44 C ATOM 0 H ILE A 53 7.663 10.859 11.571 1.00 2.40 H new ATOM 0 HA ILE A 53 9.203 9.879 9.249 1.00 61.44 H new ATOM 0 HB ILE A 53 9.458 9.224 12.222 1.00 3.14 H new ATOM 0 HG12 ILE A 53 11.331 10.570 10.235 1.00 55.23 H new ATOM 0 HG13 ILE A 53 10.480 11.357 11.549 1.00 55.23 H new ATOM 0 HG21 ILE A 53 11.314 7.731 11.592 1.00 23.41 H new ATOM 0 HG22 ILE A 53 9.765 7.182 10.911 1.00 23.41 H new ATOM 0 HG23 ILE A 53 10.950 8.008 9.872 1.00 23.41 H new ATOM 0 HD11 ILE A 53 12.823 10.977 12.127 1.00 31.44 H new ATOM 0 HD12 ILE A 53 11.757 10.028 13.190 1.00 31.44 H new ATOM 0 HD13 ILE A 53 12.621 9.229 11.856 1.00 31.44 H new ATOM 839 N ILE A 54 7.785 7.882 8.885 1.00 22.15 N ATOM 840 CA ILE A 54 6.921 6.729 8.603 1.00 74.05 C ATOM 841 C ILE A 54 7.711 5.409 8.694 1.00 32.51 C ATOM 842 O ILE A 54 8.579 5.129 7.865 1.00 54.43 O ATOM 843 CB ILE A 54 6.253 6.827 7.197 1.00 23.43 C ATOM 844 CG1 ILE A 54 5.343 8.072 7.088 1.00 24.33 C ATOM 845 CG2 ILE A 54 5.453 5.557 6.891 1.00 3.13 C ATOM 846 CD1 ILE A 54 6.086 9.394 7.013 1.00 3.24 C ATOM 0 H ILE A 54 8.355 8.181 8.093 1.00 22.15 H new ATOM 0 HA ILE A 54 6.137 6.739 9.360 1.00 74.05 H new ATOM 0 HB ILE A 54 7.050 6.928 6.460 1.00 23.43 H new ATOM 0 HG12 ILE A 54 4.717 7.971 6.201 1.00 24.33 H new ATOM 0 HG13 ILE A 54 4.675 8.094 7.949 1.00 24.33 H new ATOM 0 HG21 ILE A 54 4.994 5.644 5.906 1.00 3.13 H new ATOM 0 HG22 ILE A 54 6.120 4.695 6.906 1.00 3.13 H new ATOM 0 HG23 ILE A 54 4.675 5.427 7.643 1.00 3.13 H new ATOM 0 HD11 ILE A 54 5.368 10.211 6.939 1.00 3.24 H new ATOM 0 HD12 ILE A 54 6.691 9.523 7.911 1.00 3.24 H new ATOM 0 HD13 ILE A 54 6.733 9.398 6.136 1.00 3.24 H new ATOM 858 N GLN A 55 7.411 4.609 9.715 1.00 31.01 N ATOM 859 CA GLN A 55 8.056 3.302 9.899 1.00 2.55 C ATOM 860 C GLN A 55 7.091 2.178 9.501 1.00 0.12 C ATOM 861 O GLN A 55 6.182 1.831 10.258 1.00 41.31 O ATOM 862 CB GLN A 55 8.506 3.137 11.369 1.00 33.31 C ATOM 863 CG GLN A 55 9.539 2.029 11.614 1.00 74.12 C ATOM 864 CD GLN A 55 8.975 0.615 11.536 1.00 24.22 C ATOM 865 OE1 GLN A 55 7.729 0.434 11.932 1.00 10.24 O flip ATOM 866 NE2 GLN A 55 9.666 -0.318 11.146 1.00 64.44 N flip ATOM 0 H GLN A 55 6.723 4.840 10.432 1.00 31.01 H new ATOM 0 HA GLN A 55 8.936 3.245 9.258 1.00 2.55 H new ATOM 0 HB2 GLN A 55 8.923 4.083 11.713 1.00 33.31 H new ATOM 0 HB3 GLN A 55 7.627 2.934 11.981 1.00 33.31 H new ATOM 0 HG2 GLN A 55 10.341 2.128 10.882 1.00 74.12 H new ATOM 0 HG3 GLN A 55 9.985 2.176 12.598 1.00 74.12 H new ATOM 0 HE21 GLN A 55 10.626 -0.151 10.845 1.00 64.44 H new ATOM 0 HE22 GLN A 55 9.281 -1.262 11.122 1.00 64.44 H new ATOM 875 N ILE A 56 7.278 1.617 8.312 1.00 70.30 N ATOM 876 CA ILE A 56 6.406 0.544 7.829 1.00 41.31 C ATOM 877 C ILE A 56 6.890 -0.820 8.364 1.00 60.22 C ATOM 878 O ILE A 56 8.057 -1.176 8.232 1.00 0.11 O ATOM 879 CB ILE A 56 6.308 0.560 6.269 1.00 51.22 C ATOM 880 CG1 ILE A 56 5.128 -0.297 5.758 1.00 63.50 C ATOM 881 CG2 ILE A 56 7.619 0.119 5.621 1.00 71.41 C ATOM 882 CD1 ILE A 56 5.366 -1.794 5.777 1.00 12.53 C ATOM 0 H ILE A 56 8.020 1.883 7.665 1.00 70.30 H new ATOM 0 HA ILE A 56 5.399 0.712 8.211 1.00 41.31 H new ATOM 0 HB ILE A 56 6.118 1.592 5.975 1.00 51.22 H new ATOM 0 HG12 ILE A 56 4.250 -0.077 6.364 1.00 63.50 H new ATOM 0 HG13 ILE A 56 4.895 0.005 4.737 1.00 63.50 H new ATOM 0 HG21 ILE A 56 7.515 0.142 4.536 1.00 71.41 H new ATOM 0 HG22 ILE A 56 8.419 0.794 5.923 1.00 71.41 H new ATOM 0 HG23 ILE A 56 7.860 -0.895 5.941 1.00 71.41 H new ATOM 0 HD11 ILE A 56 4.482 -2.308 5.400 1.00 12.53 H new ATOM 0 HD12 ILE A 56 6.222 -2.034 5.146 1.00 12.53 H new ATOM 0 HD13 ILE A 56 5.566 -2.118 6.798 1.00 12.53 H new ATOM 894 N VAL A 57 5.980 -1.570 8.982 1.00 71.15 N ATOM 895 CA VAL A 57 6.340 -2.822 9.662 1.00 23.33 C ATOM 896 C VAL A 57 6.447 -4.006 8.687 1.00 31.32 C ATOM 897 O VAL A 57 7.504 -4.621 8.560 1.00 43.41 O ATOM 898 CB VAL A 57 5.314 -3.166 10.773 1.00 60.22 C ATOM 899 CG1 VAL A 57 5.731 -4.428 11.526 1.00 44.54 C ATOM 900 CG2 VAL A 57 5.135 -1.990 11.732 1.00 13.33 C ATOM 0 H VAL A 57 4.988 -1.337 9.028 1.00 71.15 H new ATOM 0 HA VAL A 57 7.321 -2.658 10.108 1.00 23.33 H new ATOM 0 HB VAL A 57 4.353 -3.360 10.298 1.00 60.22 H new ATOM 0 HG11 VAL A 57 4.996 -4.649 12.300 1.00 44.54 H new ATOM 0 HG12 VAL A 57 5.788 -5.265 10.830 1.00 44.54 H new ATOM 0 HG13 VAL A 57 6.707 -4.272 11.986 1.00 44.54 H new ATOM 0 HG21 VAL A 57 4.411 -2.256 12.502 1.00 13.33 H new ATOM 0 HG22 VAL A 57 6.091 -1.753 12.199 1.00 13.33 H new ATOM 0 HG23 VAL A 57 4.776 -1.122 11.180 1.00 13.33 H new ATOM 910 N HIS A 58 5.347 -4.333 8.008 1.00 14.42 N ATOM 911 CA HIS A 58 5.336 -5.465 7.069 1.00 55.53 C ATOM 912 C HIS A 58 4.204 -5.344 6.036 1.00 24.14 C ATOM 913 O HIS A 58 3.180 -4.704 6.288 1.00 21.02 O ATOM 914 CB HIS A 58 5.227 -6.803 7.825 1.00 64.21 C ATOM 915 CG HIS A 58 4.031 -6.922 8.731 1.00 25.00 C ATOM 916 ND1 HIS A 58 4.124 -7.297 10.055 1.00 43.24 N ATOM 917 CD2 HIS A 58 2.705 -6.749 8.492 1.00 61.10 C ATOM 918 CE1 HIS A 58 2.915 -7.357 10.583 1.00 72.54 C ATOM 919 NE2 HIS A 58 2.041 -7.024 9.658 1.00 73.44 N ATOM 0 H HIS A 58 4.458 -3.838 8.086 1.00 14.42 H new ATOM 0 HA HIS A 58 6.282 -5.441 6.528 1.00 55.53 H new ATOM 0 HB2 HIS A 58 5.195 -7.614 7.097 1.00 64.21 H new ATOM 0 HB3 HIS A 58 6.130 -6.943 8.419 1.00 64.21 H new ATOM 0 HD2 HIS A 58 2.257 -6.450 7.556 1.00 61.10 H new ATOM 0 HE1 HIS A 58 2.683 -7.633 11.601 1.00 72.54 H new ATOM 0 HE2 HIS A 58 1.030 -6.978 9.788 1.00 73.44 H new ATOM 928 N ALA A 59 4.400 -5.972 4.880 1.00 4.22 N ATOM 929 CA ALA A 59 3.401 -5.984 3.806 1.00 64.20 C ATOM 930 C ALA A 59 3.229 -7.401 3.233 1.00 21.43 C ATOM 931 O ALA A 59 4.080 -7.889 2.490 1.00 1.51 O ATOM 932 CB ALA A 59 3.802 -5.008 2.702 1.00 2.31 C ATOM 0 H ALA A 59 5.252 -6.487 4.658 1.00 4.22 H new ATOM 0 HA ALA A 59 2.445 -5.669 4.224 1.00 64.20 H new ATOM 0 HB1 ALA A 59 3.053 -5.026 1.911 1.00 2.31 H new ATOM 0 HB2 ALA A 59 3.871 -4.001 3.114 1.00 2.31 H new ATOM 0 HB3 ALA A 59 4.769 -5.299 2.292 1.00 2.31 H new ATOM 938 N ILE A 60 2.131 -8.065 3.597 1.00 40.33 N ATOM 939 CA ILE A 60 1.861 -9.435 3.137 1.00 72.00 C ATOM 940 C ILE A 60 1.010 -9.435 1.857 1.00 52.25 C ATOM 941 O ILE A 60 -0.001 -8.737 1.776 1.00 74.04 O ATOM 942 CB ILE A 60 1.128 -10.283 4.220 1.00 61.44 C ATOM 943 CG1 ILE A 60 1.978 -10.425 5.497 1.00 43.43 C ATOM 944 CG2 ILE A 60 0.766 -11.666 3.672 1.00 24.54 C ATOM 945 CD1 ILE A 60 2.054 -9.169 6.338 1.00 32.12 C ATOM 0 H ILE A 60 1.412 -7.679 4.209 1.00 40.33 H new ATOM 0 HA ILE A 60 2.833 -9.884 2.934 1.00 72.00 H new ATOM 0 HB ILE A 60 0.211 -9.756 4.481 1.00 61.44 H new ATOM 0 HG12 ILE A 60 1.567 -11.231 6.105 1.00 43.43 H new ATOM 0 HG13 ILE A 60 2.988 -10.721 5.216 1.00 43.43 H new ATOM 0 HG21 ILE A 60 0.255 -12.241 4.444 1.00 24.54 H new ATOM 0 HG22 ILE A 60 0.110 -11.555 2.809 1.00 24.54 H new ATOM 0 HG23 ILE A 60 1.675 -12.188 3.372 1.00 24.54 H new ATOM 0 HD11 ILE A 60 2.671 -9.356 7.217 1.00 32.12 H new ATOM 0 HD12 ILE A 60 2.495 -8.364 5.750 1.00 32.12 H new ATOM 0 HD13 ILE A 60 1.051 -8.881 6.654 1.00 32.12 H new ATOM 957 N ARG A 61 1.422 -10.225 0.863 1.00 20.43 N ATOM 958 CA ARG A 61 0.666 -10.365 -0.389 1.00 10.44 C ATOM 959 C ARG A 61 0.240 -11.826 -0.610 1.00 63.42 C ATOM 960 O ARG A 61 1.047 -12.661 -1.026 1.00 74.34 O ATOM 961 CB ARG A 61 1.510 -9.875 -1.577 1.00 73.33 C ATOM 962 CG ARG A 61 0.752 -9.838 -2.902 1.00 63.50 C ATOM 963 CD ARG A 61 1.611 -9.289 -4.038 1.00 13.22 C ATOM 964 NE ARG A 61 2.727 -10.175 -4.380 1.00 63.10 N ATOM 965 CZ ARG A 61 3.927 -9.758 -4.695 1.00 74.45 C ATOM 966 NH1 ARG A 61 4.234 -8.503 -4.616 1.00 11.14 N ATOM 967 NH2 ARG A 61 4.827 -10.605 -5.065 1.00 45.11 N ATOM 0 H ARG A 61 2.277 -10.780 0.899 1.00 20.43 H new ATOM 0 HA ARG A 61 -0.233 -9.753 -0.316 1.00 10.44 H new ATOM 0 HB2 ARG A 61 1.884 -8.875 -1.356 1.00 73.33 H new ATOM 0 HB3 ARG A 61 2.379 -10.524 -1.685 1.00 73.33 H new ATOM 0 HG2 ARG A 61 0.416 -10.843 -3.155 1.00 63.50 H new ATOM 0 HG3 ARG A 61 -0.140 -9.222 -2.792 1.00 63.50 H new ATOM 0 HD2 ARG A 61 0.988 -9.139 -4.920 1.00 13.22 H new ATOM 0 HD3 ARG A 61 2.002 -8.312 -3.754 1.00 13.22 H new ATOM 0 HE ARG A 61 2.558 -11.181 -4.372 1.00 63.10 H new ATOM 0 HH11 ARG A 61 3.537 -7.826 -4.305 1.00 11.14 H new ATOM 0 HH12 ARG A 61 5.173 -8.191 -4.864 1.00 11.14 H new ATOM 0 HH21 ARG A 61 4.603 -11.599 -5.112 1.00 45.11 H new ATOM 0 HH22 ARG A 61 5.762 -10.281 -5.311 1.00 45.11 H new ATOM 981 N GLU A 62 -1.023 -12.133 -0.321 1.00 24.53 N ATOM 982 CA GLU A 62 -1.537 -13.503 -0.447 1.00 1.01 C ATOM 983 C GLU A 62 -2.462 -13.657 -1.662 1.00 33.33 C ATOM 984 O GLU A 62 -3.569 -13.117 -1.691 1.00 23.31 O ATOM 985 CB GLU A 62 -2.300 -13.912 0.824 1.00 5.40 C ATOM 986 CG GLU A 62 -1.440 -14.026 2.077 1.00 31.12 C ATOM 987 CD GLU A 62 -0.385 -15.119 1.982 1.00 63.53 C ATOM 988 OE1 GLU A 62 -0.717 -16.243 1.546 1.00 53.35 O ATOM 989 OE2 GLU A 62 0.776 -14.870 2.373 1.00 71.31 O ATOM 0 H GLU A 62 -1.712 -11.454 0.002 1.00 24.53 H new ATOM 0 HA GLU A 62 -0.675 -14.155 -0.586 1.00 1.01 H new ATOM 0 HB2 GLU A 62 -3.089 -13.183 1.007 1.00 5.40 H new ATOM 0 HB3 GLU A 62 -2.787 -14.871 0.646 1.00 5.40 H new ATOM 0 HG2 GLU A 62 -0.949 -13.071 2.261 1.00 31.12 H new ATOM 0 HG3 GLU A 62 -2.083 -14.224 2.935 1.00 31.12 H new ATOM 996 N LYS A 63 -1.999 -14.395 -2.669 1.00 21.05 N ATOM 997 CA LYS A 63 -2.839 -14.746 -3.815 1.00 23.32 C ATOM 998 C LYS A 63 -3.496 -16.120 -3.584 1.00 0.41 C ATOM 999 O LYS A 63 -2.900 -17.165 -3.846 1.00 53.12 O ATOM 1000 CB LYS A 63 -2.011 -14.730 -5.110 1.00 44.04 C ATOM 1001 CG LYS A 63 -1.368 -13.371 -5.399 1.00 42.21 C ATOM 1002 CD LYS A 63 -0.613 -13.351 -6.728 1.00 71.24 C ATOM 1003 CE LYS A 63 -1.539 -13.590 -7.917 1.00 2.01 C ATOM 1004 NZ LYS A 63 -0.821 -13.492 -9.215 1.00 24.42 N ATOM 0 H LYS A 63 -1.048 -14.762 -2.716 1.00 21.05 H new ATOM 0 HA LYS A 63 -3.631 -14.005 -3.920 1.00 23.32 H new ATOM 0 HB2 LYS A 63 -1.230 -15.487 -5.043 1.00 44.04 H new ATOM 0 HB3 LYS A 63 -2.652 -15.006 -5.947 1.00 44.04 H new ATOM 0 HG2 LYS A 63 -2.141 -12.603 -5.412 1.00 42.21 H new ATOM 0 HG3 LYS A 63 -0.681 -13.118 -4.591 1.00 42.21 H new ATOM 0 HD2 LYS A 63 -0.113 -12.390 -6.846 1.00 71.24 H new ATOM 0 HD3 LYS A 63 0.164 -14.115 -6.715 1.00 71.24 H new ATOM 0 HE2 LYS A 63 -1.994 -14.577 -7.829 1.00 2.01 H new ATOM 0 HE3 LYS A 63 -2.350 -12.862 -7.896 1.00 2.01 H new ATOM 0 HZ1 LYS A 63 -1.408 -13.903 -9.969 1.00 24.42 H new ATOM 0 HZ2 LYS A 63 -0.629 -12.493 -9.431 1.00 24.42 H new ATOM 0 HZ3 LYS A 63 0.078 -14.012 -9.155 1.00 24.42 H new ATOM 1018 N ARG A 64 -4.725 -16.100 -3.071 1.00 73.40 N ATOM 1019 CA ARG A 64 -5.418 -17.314 -2.610 1.00 4.45 C ATOM 1020 C ARG A 64 -6.577 -17.725 -3.535 1.00 53.11 C ATOM 1021 O ARG A 64 -7.092 -16.916 -4.301 1.00 5.34 O ATOM 1022 CB ARG A 64 -5.964 -17.057 -1.197 1.00 24.33 C ATOM 1023 CG ARG A 64 -4.894 -16.998 -0.107 1.00 55.42 C ATOM 1024 CD ARG A 64 -5.292 -16.078 1.052 1.00 70.23 C ATOM 1025 NE ARG A 64 -6.738 -16.053 1.291 1.00 32.52 N ATOM 1026 CZ ARG A 64 -7.355 -16.744 2.212 1.00 74.22 C ATOM 1027 NH1 ARG A 64 -6.713 -17.572 2.968 1.00 22.25 N ATOM 1028 NH2 ARG A 64 -8.628 -16.596 2.378 1.00 75.20 N ATOM 0 H ARG A 64 -5.272 -15.246 -2.961 1.00 73.40 H new ATOM 0 HA ARG A 64 -4.698 -18.132 -2.616 1.00 4.45 H new ATOM 0 HB2 ARG A 64 -6.515 -16.117 -1.199 1.00 24.33 H new ATOM 0 HB3 ARG A 64 -6.676 -17.843 -0.947 1.00 24.33 H new ATOM 0 HG2 ARG A 64 -4.713 -18.002 0.276 1.00 55.42 H new ATOM 0 HG3 ARG A 64 -3.957 -16.648 -0.540 1.00 55.42 H new ATOM 0 HD2 ARG A 64 -4.785 -16.405 1.960 1.00 70.23 H new ATOM 0 HD3 ARG A 64 -4.946 -15.066 0.841 1.00 70.23 H new ATOM 0 HE ARG A 64 -7.305 -15.451 0.694 1.00 32.52 H new ATOM 0 HH11 ARG A 64 -5.707 -17.695 2.851 1.00 22.25 H new ATOM 0 HH12 ARG A 64 -7.212 -18.103 3.682 1.00 22.25 H new ATOM 0 HH21 ARG A 64 -9.146 -15.942 1.791 1.00 75.20 H new ATOM 0 HH22 ARG A 64 -9.115 -17.133 3.096 1.00 75.20 H new ATOM 1042 N ILE A 65 -6.981 -18.993 -3.455 1.00 14.44 N ATOM 1043 CA ILE A 65 -8.197 -19.464 -4.129 1.00 50.33 C ATOM 1044 C ILE A 65 -9.442 -19.164 -3.282 1.00 65.11 C ATOM 1045 O ILE A 65 -9.535 -19.568 -2.118 1.00 20.02 O ATOM 1046 CB ILE A 65 -8.125 -20.989 -4.460 1.00 21.02 C ATOM 1047 CG1 ILE A 65 -7.504 -21.204 -5.849 1.00 15.40 C ATOM 1048 CG2 ILE A 65 -9.506 -21.656 -4.387 1.00 12.13 C ATOM 1049 CD1 ILE A 65 -8.371 -20.684 -6.985 1.00 41.00 C ATOM 0 H ILE A 65 -6.486 -19.714 -2.931 1.00 14.44 H new ATOM 0 HA ILE A 65 -8.272 -18.921 -5.071 1.00 50.33 H new ATOM 0 HB ILE A 65 -7.492 -21.459 -3.707 1.00 21.02 H new ATOM 0 HG12 ILE A 65 -6.534 -20.708 -5.886 1.00 15.40 H new ATOM 0 HG13 ILE A 65 -7.324 -22.269 -5.997 1.00 15.40 H new ATOM 0 HG21 ILE A 65 -9.411 -22.716 -4.624 1.00 12.13 H new ATOM 0 HG22 ILE A 65 -9.912 -21.544 -3.381 1.00 12.13 H new ATOM 0 HG23 ILE A 65 -10.177 -21.183 -5.104 1.00 12.13 H new ATOM 0 HD11 ILE A 65 -7.873 -20.868 -7.937 1.00 41.00 H new ATOM 0 HD12 ILE A 65 -9.332 -21.198 -6.973 1.00 41.00 H new ATOM 0 HD13 ILE A 65 -8.530 -19.613 -6.860 1.00 41.00 H new ATOM 1061 N LEU A 66 -10.390 -18.443 -3.871 1.00 30.14 N ATOM 1062 CA LEU A 66 -11.639 -18.101 -3.192 1.00 54.20 C ATOM 1063 C LEU A 66 -12.755 -19.092 -3.556 1.00 52.54 C ATOM 1064 O LEU A 66 -13.499 -19.553 -2.687 1.00 62.33 O ATOM 1065 CB LEU A 66 -12.064 -16.677 -3.569 1.00 42.32 C ATOM 1066 CG LEU A 66 -13.298 -16.136 -2.828 1.00 12.34 C ATOM 1067 CD1 LEU A 66 -13.043 -16.076 -1.323 1.00 13.21 C ATOM 1068 CD2 LEU A 66 -13.689 -14.761 -3.365 1.00 1.10 C ATOM 0 H LEU A 66 -10.318 -18.082 -4.822 1.00 30.14 H new ATOM 0 HA LEU A 66 -11.469 -18.158 -2.117 1.00 54.20 H new ATOM 0 HB2 LEU A 66 -11.226 -16.005 -3.382 1.00 42.32 H new ATOM 0 HB3 LEU A 66 -12.263 -16.648 -4.640 1.00 42.32 H new ATOM 0 HG LEU A 66 -14.128 -16.820 -3.004 1.00 12.34 H new ATOM 0 HD11 LEU A 66 -13.929 -15.690 -0.819 1.00 13.21 H new ATOM 0 HD12 LEU A 66 -12.821 -17.076 -0.951 1.00 13.21 H new ATOM 0 HD13 LEU A 66 -12.197 -15.418 -1.123 1.00 13.21 H new ATOM 0 HD21 LEU A 66 -14.564 -14.396 -2.828 1.00 1.10 H new ATOM 0 HD22 LEU A 66 -12.861 -14.066 -3.224 1.00 1.10 H new ATOM 0 HD23 LEU A 66 -13.921 -14.838 -4.427 1.00 1.10 H new ATOM 1080 N SER A 67 -12.856 -19.425 -4.842 1.00 75.22 N ATOM 1081 CA SER A 67 -13.923 -20.314 -5.330 1.00 61.41 C ATOM 1082 C SER A 67 -13.389 -21.334 -6.342 1.00 72.01 C ATOM 1083 O SER A 67 -12.472 -21.041 -7.112 1.00 1.41 O ATOM 1084 CB SER A 67 -15.040 -19.502 -6.001 1.00 15.41 C ATOM 1085 OG SER A 67 -15.484 -18.432 -5.183 1.00 53.22 O ATOM 0 H SER A 67 -12.217 -19.097 -5.567 1.00 75.22 H new ATOM 0 HA SER A 67 -14.315 -20.844 -4.462 1.00 61.41 H new ATOM 0 HB2 SER A 67 -14.680 -19.107 -6.951 1.00 15.41 H new ATOM 0 HB3 SER A 67 -15.880 -20.159 -6.227 1.00 15.41 H new ATOM 0 HG SER A 67 -15.847 -17.718 -5.747 1.00 53.22 H new ATOM 1091 N LEU A 68 -13.979 -22.527 -6.343 1.00 74.54 N ATOM 1092 CA LEU A 68 -13.675 -23.553 -7.349 1.00 73.32 C ATOM 1093 C LEU A 68 -14.948 -23.968 -8.097 1.00 54.12 C ATOM 1094 O LEU A 68 -15.939 -24.363 -7.479 1.00 51.44 O ATOM 1095 CB LEU A 68 -13.041 -24.793 -6.700 1.00 64.31 C ATOM 1096 CG LEU A 68 -11.629 -24.606 -6.120 1.00 20.24 C ATOM 1097 CD1 LEU A 68 -11.133 -25.910 -5.500 1.00 50.11 C ATOM 1098 CD2 LEU A 68 -10.657 -24.119 -7.194 1.00 72.35 C ATOM 0 H LEU A 68 -14.676 -22.812 -5.655 1.00 74.54 H new ATOM 0 HA LEU A 68 -12.964 -23.122 -8.054 1.00 73.32 H new ATOM 0 HB2 LEU A 68 -13.698 -25.135 -5.900 1.00 64.31 H new ATOM 0 HB3 LEU A 68 -13.004 -25.588 -7.444 1.00 64.31 H new ATOM 0 HG LEU A 68 -11.678 -23.846 -5.340 1.00 20.24 H new ATOM 0 HD11 LEU A 68 -10.132 -25.762 -5.094 1.00 50.11 H new ATOM 0 HD12 LEU A 68 -11.809 -26.213 -4.700 1.00 50.11 H new ATOM 0 HD13 LEU A 68 -11.103 -26.688 -6.263 1.00 50.11 H new ATOM 0 HD21 LEU A 68 -9.666 -23.995 -6.758 1.00 72.35 H new ATOM 0 HD22 LEU A 68 -10.610 -24.851 -8.001 1.00 72.35 H new ATOM 0 HD23 LEU A 68 -11.001 -23.164 -7.590 1.00 72.35 H new ATOM 1110 N SER A 69 -14.919 -23.893 -9.427 1.00 24.12 N ATOM 1111 CA SER A 69 -16.072 -24.297 -10.245 1.00 14.40 C ATOM 1112 C SER A 69 -16.422 -25.767 -9.994 1.00 52.21 C ATOM 1113 O SER A 69 -15.652 -26.671 -10.339 1.00 41.21 O ATOM 1114 CB SER A 69 -15.800 -24.069 -11.738 1.00 72.22 C ATOM 1115 OG SER A 69 -16.940 -24.385 -12.524 1.00 52.32 O ATOM 0 H SER A 69 -14.117 -23.559 -9.962 1.00 24.12 H new ATOM 0 HA SER A 69 -16.919 -23.677 -9.953 1.00 14.40 H new ATOM 0 HB2 SER A 69 -15.518 -23.029 -11.904 1.00 72.22 H new ATOM 0 HB3 SER A 69 -14.956 -24.682 -12.054 1.00 72.22 H new ATOM 0 HG SER A 69 -16.738 -24.229 -13.470 1.00 52.32 H new ATOM 1121 N GLU A 70 -17.569 -25.987 -9.350 1.00 63.41 N ATOM 1122 CA GLU A 70 -18.045 -27.330 -8.994 1.00 72.54 C ATOM 1123 C GLU A 70 -17.045 -28.061 -8.084 1.00 72.00 C ATOM 1124 O GLU A 70 -16.982 -29.291 -8.076 1.00 13.12 O ATOM 1125 CB GLU A 70 -18.339 -28.156 -10.261 1.00 51.23 C ATOM 1126 CG GLU A 70 -19.267 -27.455 -11.253 1.00 33.21 C ATOM 1127 CD GLU A 70 -20.460 -26.789 -10.584 1.00 23.15 C ATOM 1128 OE1 GLU A 70 -21.377 -27.503 -10.130 1.00 63.14 O ATOM 1129 OE2 GLU A 70 -20.479 -25.544 -10.487 1.00 43.33 O ATOM 0 H GLU A 70 -18.198 -25.239 -9.059 1.00 63.41 H new ATOM 0 HA GLU A 70 -18.973 -27.215 -8.434 1.00 72.54 H new ATOM 0 HB2 GLU A 70 -17.398 -28.387 -10.759 1.00 51.23 H new ATOM 0 HB3 GLU A 70 -18.786 -29.106 -9.968 1.00 51.23 H new ATOM 0 HG2 GLU A 70 -18.700 -26.704 -11.803 1.00 33.21 H new ATOM 0 HG3 GLU A 70 -19.625 -28.182 -11.982 1.00 33.21 H new ATOM 1136 N SER A 71 -16.284 -27.287 -7.303 1.00 21.15 N ATOM 1137 CA SER A 71 -15.277 -27.838 -6.378 1.00 61.32 C ATOM 1138 C SER A 71 -14.167 -28.594 -7.128 1.00 62.34 C ATOM 1139 O SER A 71 -13.456 -29.419 -6.547 1.00 34.44 O ATOM 1140 CB SER A 71 -15.945 -28.764 -5.345 1.00 42.14 C ATOM 1141 OG SER A 71 -15.014 -29.225 -4.375 1.00 2.34 O ATOM 0 H SER A 71 -16.344 -26.269 -7.291 1.00 21.15 H new ATOM 0 HA SER A 71 -14.815 -26.998 -5.859 1.00 61.32 H new ATOM 0 HB2 SER A 71 -16.755 -28.230 -4.848 1.00 42.14 H new ATOM 0 HB3 SER A 71 -16.392 -29.617 -5.856 1.00 42.14 H new ATOM 0 HG SER A 71 -14.156 -29.415 -4.809 1.00 2.34 H new ATOM 1147 N GLY A 72 -14.012 -28.294 -8.419 1.00 45.01 N ATOM 1148 CA GLY A 72 -12.999 -28.962 -9.235 1.00 2.42 C ATOM 1149 C GLY A 72 -12.153 -27.997 -10.062 1.00 54.42 C ATOM 1150 O GLY A 72 -10.921 -28.012 -9.981 1.00 31.24 O ATOM 0 H GLY A 72 -14.569 -27.600 -8.917 1.00 45.01 H new ATOM 0 HA2 GLY A 72 -12.344 -29.542 -8.585 1.00 2.42 H new ATOM 0 HA3 GLY A 72 -13.490 -29.668 -9.904 1.00 2.42 H new ATOM 1154 N ARG A 73 -12.807 -27.165 -10.868 1.00 34.45 N ATOM 1155 CA ARG A 73 -12.104 -26.191 -11.719 1.00 15.03 C ATOM 1156 C ARG A 73 -11.894 -24.857 -10.979 1.00 14.41 C ATOM 1157 O ARG A 73 -12.437 -24.645 -9.900 1.00 33.02 O ATOM 1158 CB ARG A 73 -12.900 -25.966 -13.012 1.00 34.21 C ATOM 1159 CG ARG A 73 -13.265 -27.260 -13.735 1.00 21.23 C ATOM 1160 CD ARG A 73 -12.029 -28.023 -14.205 1.00 13.15 C ATOM 1161 NE ARG A 73 -12.350 -29.387 -14.627 1.00 41.03 N ATOM 1162 CZ ARG A 73 -11.709 -30.042 -15.556 1.00 2.11 C ATOM 1163 NH1 ARG A 73 -10.802 -29.457 -16.271 1.00 44.33 N ATOM 1164 NH2 ARG A 73 -12.010 -31.278 -15.792 1.00 71.13 N ATOM 0 H ARG A 73 -13.823 -27.141 -10.954 1.00 34.45 H new ATOM 0 HA ARG A 73 -11.121 -26.592 -11.966 1.00 15.03 H new ATOM 0 HB2 ARG A 73 -13.814 -25.420 -12.777 1.00 34.21 H new ATOM 0 HB3 ARG A 73 -12.317 -25.336 -13.683 1.00 34.21 H new ATOM 0 HG2 ARG A 73 -13.851 -27.894 -13.069 1.00 21.23 H new ATOM 0 HG3 ARG A 73 -13.896 -27.030 -14.593 1.00 21.23 H new ATOM 0 HD2 ARG A 73 -11.567 -27.487 -15.034 1.00 13.15 H new ATOM 0 HD3 ARG A 73 -11.296 -28.057 -13.399 1.00 13.15 H new ATOM 0 HE ARG A 73 -13.127 -29.858 -14.164 1.00 41.03 H new ATOM 0 HH11 ARG A 73 -10.582 -28.474 -16.111 1.00 44.33 H new ATOM 0 HH12 ARG A 73 -10.307 -29.979 -16.994 1.00 44.33 H new ATOM 0 HH21 ARG A 73 -12.745 -31.736 -15.253 1.00 71.13 H new ATOM 0 HH22 ARG A 73 -11.512 -31.795 -16.517 1.00 71.13 H new ATOM 1178 N VAL A 74 -11.112 -23.956 -11.564 1.00 41.41 N ATOM 1179 CA VAL A 74 -10.815 -22.659 -10.934 1.00 15.40 C ATOM 1180 C VAL A 74 -11.942 -21.634 -11.172 1.00 61.10 C ATOM 1181 O VAL A 74 -12.635 -21.685 -12.186 1.00 72.11 O ATOM 1182 CB VAL A 74 -9.475 -22.081 -11.465 1.00 21.31 C ATOM 1183 CG1 VAL A 74 -9.132 -20.755 -10.787 1.00 50.31 C ATOM 1184 CG2 VAL A 74 -8.344 -23.089 -11.275 1.00 30.12 C ATOM 0 H VAL A 74 -10.669 -24.093 -12.473 1.00 41.41 H new ATOM 0 HA VAL A 74 -10.734 -22.840 -9.862 1.00 15.40 H new ATOM 0 HB VAL A 74 -9.595 -21.888 -12.531 1.00 21.31 H new ATOM 0 HG11 VAL A 74 -8.188 -20.378 -11.182 1.00 50.31 H new ATOM 0 HG12 VAL A 74 -9.923 -20.031 -10.983 1.00 50.31 H new ATOM 0 HG13 VAL A 74 -9.040 -20.909 -9.712 1.00 50.31 H new ATOM 0 HG21 VAL A 74 -7.413 -22.667 -11.653 1.00 30.12 H new ATOM 0 HG22 VAL A 74 -8.235 -23.318 -10.215 1.00 30.12 H new ATOM 0 HG23 VAL A 74 -8.576 -24.003 -11.821 1.00 30.12 H new ATOM 1194 N ARG A 75 -12.141 -20.723 -10.216 1.00 14.11 N ATOM 1195 CA ARG A 75 -13.105 -19.623 -10.379 1.00 63.30 C ATOM 1196 C ARG A 75 -12.518 -18.269 -9.948 1.00 72.11 C ATOM 1197 O ARG A 75 -11.872 -17.585 -10.741 1.00 70.35 O ATOM 1198 CB ARG A 75 -14.402 -19.911 -9.608 1.00 52.30 C ATOM 1199 CG ARG A 75 -15.464 -20.646 -10.420 1.00 22.20 C ATOM 1200 CD ARG A 75 -16.800 -20.677 -9.685 1.00 21.31 C ATOM 1201 NE ARG A 75 -17.213 -19.340 -9.250 1.00 73.13 N ATOM 1202 CZ ARG A 75 -18.447 -18.974 -9.044 1.00 40.41 C ATOM 1203 NH1 ARG A 75 -19.427 -19.789 -9.265 1.00 3.42 N ATOM 1204 NH2 ARG A 75 -18.695 -17.782 -8.620 1.00 15.04 N ATOM 0 H ARG A 75 -11.650 -20.722 -9.322 1.00 14.11 H new ATOM 0 HA ARG A 75 -13.334 -19.558 -11.443 1.00 63.30 H new ATOM 0 HB2 ARG A 75 -14.162 -20.503 -8.725 1.00 52.30 H new ATOM 0 HB3 ARG A 75 -14.819 -18.967 -9.256 1.00 52.30 H new ATOM 0 HG2 ARG A 75 -15.589 -20.157 -11.386 1.00 22.20 H new ATOM 0 HG3 ARG A 75 -15.132 -21.665 -10.619 1.00 22.20 H new ATOM 0 HD2 ARG A 75 -17.564 -21.099 -10.338 1.00 21.31 H new ATOM 0 HD3 ARG A 75 -16.723 -21.334 -8.818 1.00 21.31 H new ATOM 0 HE ARG A 75 -16.482 -18.645 -9.097 1.00 73.13 H new ATOM 0 HH11 ARG A 75 -19.239 -20.732 -9.605 1.00 3.42 H new ATOM 0 HH12 ARG A 75 -20.388 -19.488 -9.099 1.00 3.42 H new ATOM 0 HH21 ARG A 75 -17.928 -17.132 -8.448 1.00 15.04 H new ATOM 0 HH22 ARG A 75 -19.658 -17.489 -8.457 1.00 15.04 H new ATOM 1218 N GLU A 76 -12.742 -17.879 -8.693 1.00 20.11 N ATOM 1219 CA GLU A 76 -12.268 -16.583 -8.197 1.00 51.33 C ATOM 1220 C GLU A 76 -10.979 -16.725 -7.381 1.00 71.25 C ATOM 1221 O GLU A 76 -10.881 -17.565 -6.481 1.00 22.43 O ATOM 1222 CB GLU A 76 -13.344 -15.887 -7.345 1.00 44.04 C ATOM 1223 CG GLU A 76 -14.562 -15.403 -8.134 1.00 35.11 C ATOM 1224 CD GLU A 76 -15.521 -16.517 -8.520 1.00 71.15 C ATOM 1225 OE1 GLU A 76 -16.223 -17.037 -7.627 1.00 50.32 O ATOM 1226 OE2 GLU A 76 -15.587 -16.875 -9.715 1.00 32.13 O ATOM 0 H GLU A 76 -13.246 -18.437 -8.003 1.00 20.11 H new ATOM 0 HA GLU A 76 -12.056 -15.969 -9.073 1.00 51.33 H new ATOM 0 HB2 GLU A 76 -13.679 -16.577 -6.571 1.00 44.04 H new ATOM 0 HB3 GLU A 76 -12.893 -15.034 -6.838 1.00 44.04 H new ATOM 0 HG2 GLU A 76 -15.098 -14.663 -7.540 1.00 35.11 H new ATOM 0 HG3 GLU A 76 -14.221 -14.899 -9.038 1.00 35.11 H new ATOM 1233 N PHE A 77 -9.995 -15.896 -7.705 1.00 14.11 N ATOM 1234 CA PHE A 77 -8.729 -15.851 -6.970 1.00 42.01 C ATOM 1235 C PHE A 77 -8.716 -14.635 -6.025 1.00 53.42 C ATOM 1236 O PHE A 77 -8.743 -13.488 -6.477 1.00 11.12 O ATOM 1237 CB PHE A 77 -7.555 -15.771 -7.967 1.00 54.42 C ATOM 1238 CG PHE A 77 -6.393 -16.677 -7.644 1.00 5.20 C ATOM 1239 CD1 PHE A 77 -6.440 -18.023 -7.973 1.00 23.13 C ATOM 1240 CD2 PHE A 77 -5.250 -16.187 -7.026 1.00 35.43 C ATOM 1241 CE1 PHE A 77 -5.378 -18.860 -7.693 1.00 41.45 C ATOM 1242 CE2 PHE A 77 -4.186 -17.025 -6.744 1.00 12.21 C ATOM 1243 CZ PHE A 77 -4.251 -18.361 -7.079 1.00 24.50 C ATOM 0 H PHE A 77 -10.047 -15.236 -8.481 1.00 14.11 H new ATOM 0 HA PHE A 77 -8.623 -16.757 -6.373 1.00 42.01 H new ATOM 0 HB2 PHE A 77 -7.924 -16.016 -8.963 1.00 54.42 H new ATOM 0 HB3 PHE A 77 -7.197 -14.742 -8.004 1.00 54.42 H new ATOM 0 HD1 PHE A 77 -7.320 -18.423 -8.455 1.00 23.13 H new ATOM 0 HD2 PHE A 77 -5.191 -15.141 -6.763 1.00 35.43 H new ATOM 0 HE1 PHE A 77 -5.431 -19.906 -7.956 1.00 41.45 H new ATOM 0 HE2 PHE A 77 -3.303 -16.632 -6.261 1.00 12.21 H new ATOM 0 HZ PHE A 77 -3.420 -19.015 -6.860 1.00 24.50 H new ATOM 1253 N GLU A 78 -8.697 -14.890 -4.717 1.00 22.22 N ATOM 1254 CA GLU A 78 -8.734 -13.820 -3.713 1.00 64.12 C ATOM 1255 C GLU A 78 -7.350 -13.179 -3.524 1.00 3.35 C ATOM 1256 O GLU A 78 -6.454 -13.770 -2.916 1.00 14.30 O ATOM 1257 CB GLU A 78 -9.247 -14.367 -2.373 1.00 52.33 C ATOM 1258 CG GLU A 78 -9.391 -13.305 -1.284 1.00 15.03 C ATOM 1259 CD GLU A 78 -9.855 -13.884 0.045 1.00 55.41 C ATOM 1260 OE1 GLU A 78 -9.001 -14.365 0.818 1.00 52.15 O ATOM 1261 OE2 GLU A 78 -11.071 -13.860 0.324 1.00 13.33 O ATOM 0 H GLU A 78 -8.656 -15.830 -4.324 1.00 22.22 H new ATOM 0 HA GLU A 78 -9.416 -13.050 -4.072 1.00 64.12 H new ATOM 0 HB2 GLU A 78 -10.215 -14.843 -2.533 1.00 52.33 H new ATOM 0 HB3 GLU A 78 -8.565 -15.142 -2.023 1.00 52.33 H new ATOM 0 HG2 GLU A 78 -8.433 -12.804 -1.143 1.00 15.03 H new ATOM 0 HG3 GLU A 78 -10.102 -12.547 -1.613 1.00 15.03 H new ATOM 1268 N LEU A 79 -7.182 -11.974 -4.059 1.00 70.53 N ATOM 1269 CA LEU A 79 -5.933 -11.225 -3.914 1.00 34.21 C ATOM 1270 C LEU A 79 -6.005 -10.281 -2.702 1.00 31.24 C ATOM 1271 O LEU A 79 -6.590 -9.199 -2.783 1.00 53.03 O ATOM 1272 CB LEU A 79 -5.647 -10.416 -5.192 1.00 64.54 C ATOM 1273 CG LEU A 79 -5.723 -11.210 -6.511 1.00 63.11 C ATOM 1274 CD1 LEU A 79 -5.380 -10.314 -7.701 1.00 72.44 C ATOM 1275 CD2 LEU A 79 -4.808 -12.431 -6.463 1.00 55.34 C ATOM 0 H LEU A 79 -7.898 -11.491 -4.601 1.00 70.53 H new ATOM 0 HA LEU A 79 -5.123 -11.937 -3.754 1.00 34.21 H new ATOM 0 HB2 LEU A 79 -6.356 -9.590 -5.244 1.00 64.54 H new ATOM 0 HB3 LEU A 79 -4.652 -9.978 -5.109 1.00 64.54 H new ATOM 0 HG LEU A 79 -6.746 -11.563 -6.638 1.00 63.11 H new ATOM 0 HD11 LEU A 79 -5.440 -10.894 -8.622 1.00 72.44 H new ATOM 0 HD12 LEU A 79 -6.086 -9.485 -7.748 1.00 72.44 H new ATOM 0 HD13 LEU A 79 -4.369 -9.923 -7.583 1.00 72.44 H new ATOM 0 HD21 LEU A 79 -4.878 -12.976 -7.405 1.00 55.34 H new ATOM 0 HD22 LEU A 79 -3.779 -12.108 -6.307 1.00 55.34 H new ATOM 0 HD23 LEU A 79 -5.113 -13.082 -5.644 1.00 55.34 H new ATOM 1287 N VAL A 80 -5.432 -10.702 -1.574 1.00 74.41 N ATOM 1288 CA VAL A 80 -5.463 -9.894 -0.347 1.00 45.13 C ATOM 1289 C VAL A 80 -4.076 -9.326 0.008 1.00 21.41 C ATOM 1290 O VAL A 80 -3.064 -10.035 -0.020 1.00 3.52 O ATOM 1291 CB VAL A 80 -6.034 -10.693 0.856 1.00 30.42 C ATOM 1292 CG1 VAL A 80 -5.244 -11.977 1.096 1.00 53.24 C ATOM 1293 CG2 VAL A 80 -6.069 -9.827 2.119 1.00 0.24 C ATOM 0 H VAL A 80 -4.943 -11.592 -1.481 1.00 74.41 H new ATOM 0 HA VAL A 80 -6.130 -9.057 -0.552 1.00 45.13 H new ATOM 0 HB VAL A 80 -7.057 -10.976 0.610 1.00 30.42 H new ATOM 0 HG11 VAL A 80 -5.669 -12.513 1.945 1.00 53.24 H new ATOM 0 HG12 VAL A 80 -5.294 -12.606 0.208 1.00 53.24 H new ATOM 0 HG13 VAL A 80 -4.204 -11.730 1.307 1.00 53.24 H new ATOM 0 HG21 VAL A 80 -6.473 -10.409 2.948 1.00 0.24 H new ATOM 0 HG22 VAL A 80 -5.059 -9.499 2.364 1.00 0.24 H new ATOM 0 HG23 VAL A 80 -6.701 -8.956 1.945 1.00 0.24 H new ATOM 1303 N TYR A 81 -4.046 -8.035 0.343 1.00 54.13 N ATOM 1304 CA TYR A 81 -2.806 -7.326 0.674 1.00 22.30 C ATOM 1305 C TYR A 81 -2.916 -6.665 2.059 1.00 3.30 C ATOM 1306 O TYR A 81 -3.883 -5.953 2.338 1.00 14.21 O ATOM 1307 CB TYR A 81 -2.528 -6.268 -0.404 1.00 32.33 C ATOM 1308 CG TYR A 81 -1.098 -5.761 -0.455 1.00 2.31 C ATOM 1309 CD1 TYR A 81 -0.026 -6.648 -0.482 1.00 23.41 C ATOM 1310 CD2 TYR A 81 -0.821 -4.397 -0.503 1.00 2.34 C ATOM 1311 CE1 TYR A 81 1.275 -6.192 -0.548 1.00 75.30 C ATOM 1312 CE2 TYR A 81 0.480 -3.939 -0.576 1.00 63.20 C ATOM 1313 CZ TYR A 81 1.523 -4.841 -0.597 1.00 40.22 C ATOM 1314 OH TYR A 81 2.820 -4.388 -0.673 1.00 5.25 O ATOM 0 H TYR A 81 -4.880 -7.450 0.393 1.00 54.13 H new ATOM 0 HA TYR A 81 -1.981 -8.038 0.705 1.00 22.30 H new ATOM 0 HB2 TYR A 81 -2.783 -6.687 -1.377 1.00 32.33 H new ATOM 0 HB3 TYR A 81 -3.192 -5.420 -0.238 1.00 32.33 H new ATOM 0 HD1 TYR A 81 -0.215 -7.711 -0.451 1.00 23.41 H new ATOM 0 HD2 TYR A 81 -1.635 -3.687 -0.483 1.00 2.34 H new ATOM 0 HE1 TYR A 81 2.095 -6.894 -0.561 1.00 75.30 H new ATOM 0 HE2 TYR A 81 0.680 -2.878 -0.616 1.00 63.20 H new ATOM 0 HH TYR A 81 2.823 -3.408 -0.701 1.00 5.25 H new ATOM 1324 N ARG A 82 -1.929 -6.906 2.921 1.00 21.21 N ATOM 1325 CA ARG A 82 -1.949 -6.389 4.299 1.00 3.43 C ATOM 1326 C ARG A 82 -0.694 -5.555 4.606 1.00 30.11 C ATOM 1327 O ARG A 82 0.412 -6.092 4.689 1.00 72.35 O ATOM 1328 CB ARG A 82 -2.051 -7.558 5.291 1.00 62.01 C ATOM 1329 CG ARG A 82 -3.353 -8.351 5.189 1.00 11.51 C ATOM 1330 CD ARG A 82 -3.329 -9.584 6.086 1.00 70.31 C ATOM 1331 NE ARG A 82 -2.978 -9.248 7.465 1.00 12.25 N ATOM 1332 CZ ARG A 82 -2.311 -10.027 8.270 1.00 25.12 C ATOM 1333 NH1 ARG A 82 -1.924 -11.203 7.890 1.00 42.50 N ATOM 1334 NH2 ARG A 82 -2.024 -9.616 9.459 1.00 2.34 N ATOM 0 H ARG A 82 -1.101 -7.457 2.694 1.00 21.21 H new ATOM 0 HA ARG A 82 -2.819 -5.740 4.403 1.00 3.43 H new ATOM 0 HB2 ARG A 82 -1.212 -8.234 5.126 1.00 62.01 H new ATOM 0 HB3 ARG A 82 -1.953 -7.170 6.305 1.00 62.01 H new ATOM 0 HG2 ARG A 82 -4.191 -7.713 5.468 1.00 11.51 H new ATOM 0 HG3 ARG A 82 -3.515 -8.655 4.155 1.00 11.51 H new ATOM 0 HD2 ARG A 82 -4.307 -10.066 6.067 1.00 70.31 H new ATOM 0 HD3 ARG A 82 -2.611 -10.304 5.694 1.00 70.31 H new ATOM 0 HE ARG A 82 -3.276 -8.340 7.822 1.00 12.25 H new ATOM 0 HH11 ARG A 82 -2.140 -11.532 6.949 1.00 42.50 H new ATOM 0 HH12 ARG A 82 -1.403 -11.801 8.532 1.00 42.50 H new ATOM 0 HH21 ARG A 82 -2.319 -8.688 9.763 1.00 2.34 H new ATOM 0 HH22 ARG A 82 -1.503 -10.219 10.095 1.00 2.34 H new ATOM 1348 N VAL A 83 -0.873 -4.245 4.775 1.00 2.24 N ATOM 1349 CA VAL A 83 0.247 -3.336 5.067 1.00 2.44 C ATOM 1350 C VAL A 83 0.133 -2.725 6.473 1.00 64.51 C ATOM 1351 O VAL A 83 -0.683 -1.836 6.711 1.00 1.51 O ATOM 1352 CB VAL A 83 0.330 -2.186 4.030 1.00 32.35 C ATOM 1353 CG1 VAL A 83 1.522 -1.271 4.320 1.00 34.42 C ATOM 1354 CG2 VAL A 83 0.408 -2.744 2.613 1.00 71.02 C ATOM 0 H VAL A 83 -1.781 -3.785 4.716 1.00 2.24 H new ATOM 0 HA VAL A 83 1.153 -3.940 5.012 1.00 2.44 H new ATOM 0 HB VAL A 83 -0.579 -1.590 4.113 1.00 32.35 H new ATOM 0 HG11 VAL A 83 1.557 -0.473 3.578 1.00 34.42 H new ATOM 0 HG12 VAL A 83 1.415 -0.838 5.314 1.00 34.42 H new ATOM 0 HG13 VAL A 83 2.445 -1.850 4.274 1.00 34.42 H new ATOM 0 HG21 VAL A 83 0.466 -1.921 1.901 1.00 71.02 H new ATOM 0 HG22 VAL A 83 1.295 -3.370 2.517 1.00 71.02 H new ATOM 0 HG23 VAL A 83 -0.481 -3.340 2.407 1.00 71.02 H new ATOM 1364 N ALA A 84 0.956 -3.207 7.400 1.00 33.51 N ATOM 1365 CA ALA A 84 0.995 -2.665 8.764 1.00 52.43 C ATOM 1366 C ALA A 84 2.154 -1.674 8.931 1.00 53.14 C ATOM 1367 O ALA A 84 3.282 -1.953 8.517 1.00 24.41 O ATOM 1368 CB ALA A 84 1.118 -3.798 9.777 1.00 24.24 C ATOM 0 H ALA A 84 1.608 -3.974 7.235 1.00 33.51 H new ATOM 0 HA ALA A 84 0.063 -2.129 8.943 1.00 52.43 H new ATOM 0 HB1 ALA A 84 1.146 -3.384 10.785 1.00 24.24 H new ATOM 0 HB2 ALA A 84 0.261 -4.465 9.683 1.00 24.24 H new ATOM 0 HB3 ALA A 84 2.035 -4.356 9.589 1.00 24.24 H new ATOM 1374 N ALA A 85 1.883 -0.524 9.550 1.00 14.34 N ATOM 1375 CA ALA A 85 2.901 0.520 9.716 1.00 3.10 C ATOM 1376 C ALA A 85 2.718 1.319 11.016 1.00 25.30 C ATOM 1377 O ALA A 85 1.739 1.151 11.741 1.00 51.32 O ATOM 1378 CB ALA A 85 2.884 1.459 8.512 1.00 21.42 C ATOM 0 H ALA A 85 0.972 -0.290 9.944 1.00 14.34 H new ATOM 0 HA ALA A 85 3.869 0.023 9.781 1.00 3.10 H new ATOM 0 HB1 ALA A 85 3.642 2.231 8.642 1.00 21.42 H new ATOM 0 HB2 ALA A 85 3.095 0.892 7.605 1.00 21.42 H new ATOM 0 HB3 ALA A 85 1.902 1.925 8.428 1.00 21.42 H new ATOM 1384 N ARG A 86 3.686 2.184 11.306 1.00 2.34 N ATOM 1385 CA ARG A 86 3.628 3.082 12.465 1.00 53.32 C ATOM 1386 C ARG A 86 4.158 4.472 12.079 1.00 23.03 C ATOM 1387 O ARG A 86 5.061 4.589 11.252 1.00 2.23 O ATOM 1388 CB ARG A 86 4.441 2.516 13.643 1.00 20.01 C ATOM 1389 CG ARG A 86 4.048 1.095 14.042 1.00 72.43 C ATOM 1390 CD ARG A 86 4.734 0.654 15.330 1.00 31.25 C ATOM 1391 NE ARG A 86 4.236 1.387 16.491 1.00 54.10 N ATOM 1392 CZ ARG A 86 4.904 1.568 17.597 1.00 63.32 C ATOM 1393 NH1 ARG A 86 6.122 1.142 17.712 1.00 42.14 N ATOM 1394 NH2 ARG A 86 4.347 2.187 18.582 1.00 14.10 N ATOM 0 H ARG A 86 4.533 2.285 10.747 1.00 2.34 H new ATOM 0 HA ARG A 86 2.588 3.168 12.779 1.00 53.32 H new ATOM 0 HB2 ARG A 86 5.499 2.530 13.381 1.00 20.01 H new ATOM 0 HB3 ARG A 86 4.318 3.172 14.505 1.00 20.01 H new ATOM 0 HG2 ARG A 86 2.967 1.040 14.170 1.00 72.43 H new ATOM 0 HG3 ARG A 86 4.309 0.407 13.238 1.00 72.43 H new ATOM 0 HD2 ARG A 86 4.574 -0.414 15.479 1.00 31.25 H new ATOM 0 HD3 ARG A 86 5.810 0.806 15.239 1.00 31.25 H new ATOM 0 HE ARG A 86 3.299 1.786 16.433 1.00 54.10 H new ATOM 0 HH11 ARG A 86 6.569 0.659 16.933 1.00 42.14 H new ATOM 0 HH12 ARG A 86 6.634 1.290 18.582 1.00 42.14 H new ATOM 0 HH21 ARG A 86 3.391 2.531 18.493 1.00 14.10 H new ATOM 0 HH22 ARG A 86 4.863 2.332 19.450 1.00 14.10 H new ATOM 1408 N LEU A 87 3.606 5.518 12.683 1.00 3.32 N ATOM 1409 CA LEU A 87 3.958 6.896 12.315 1.00 3.42 C ATOM 1410 C LEU A 87 4.566 7.645 13.517 1.00 13.01 C ATOM 1411 O LEU A 87 3.865 8.008 14.460 1.00 52.44 O ATOM 1412 CB LEU A 87 2.703 7.610 11.778 1.00 4.14 C ATOM 1413 CG LEU A 87 2.949 8.806 10.838 1.00 5.14 C ATOM 1414 CD1 LEU A 87 1.675 9.135 10.063 1.00 35.31 C ATOM 1415 CD2 LEU A 87 3.437 10.032 11.609 1.00 10.13 C ATOM 0 H LEU A 87 2.914 5.445 13.429 1.00 3.32 H new ATOM 0 HA LEU A 87 4.716 6.883 11.532 1.00 3.42 H new ATOM 0 HB2 LEU A 87 2.093 6.878 11.248 1.00 4.14 H new ATOM 0 HB3 LEU A 87 2.117 7.958 12.629 1.00 4.14 H new ATOM 0 HG LEU A 87 3.732 8.526 10.133 1.00 5.14 H new ATOM 0 HD11 LEU A 87 1.860 9.982 9.402 1.00 35.31 H new ATOM 0 HD12 LEU A 87 1.376 8.270 9.471 1.00 35.31 H new ATOM 0 HD13 LEU A 87 0.879 9.388 10.763 1.00 35.31 H new ATOM 0 HD21 LEU A 87 3.600 10.857 10.915 1.00 10.13 H new ATOM 0 HD22 LEU A 87 2.687 10.321 12.346 1.00 10.13 H new ATOM 0 HD23 LEU A 87 4.372 9.794 12.117 1.00 10.13 H new ATOM 1427 N LEU A 88 5.880 7.850 13.476 1.00 54.23 N ATOM 1428 CA LEU A 88 6.612 8.504 14.571 1.00 54.03 C ATOM 1429 C LEU A 88 7.001 9.944 14.190 1.00 12.20 C ATOM 1430 O LEU A 88 6.785 10.375 13.057 1.00 52.24 O ATOM 1431 CB LEU A 88 7.875 7.695 14.935 1.00 74.31 C ATOM 1432 CG LEU A 88 7.635 6.254 15.444 1.00 60.34 C ATOM 1433 CD1 LEU A 88 7.183 5.327 14.317 1.00 34.33 C ATOM 1434 CD2 LEU A 88 8.889 5.700 16.118 1.00 10.24 C ATOM 0 H LEU A 88 6.469 7.572 12.691 1.00 54.23 H new ATOM 0 HA LEU A 88 5.954 8.542 15.439 1.00 54.03 H new ATOM 0 HB2 LEU A 88 8.517 7.646 14.055 1.00 74.31 H new ATOM 0 HB3 LEU A 88 8.425 8.243 15.701 1.00 74.31 H new ATOM 0 HG LEU A 88 6.833 6.299 16.181 1.00 60.34 H new ATOM 0 HD11 LEU A 88 7.024 4.324 14.713 1.00 34.33 H new ATOM 0 HD12 LEU A 88 6.252 5.700 13.890 1.00 34.33 H new ATOM 0 HD13 LEU A 88 7.950 5.295 13.543 1.00 34.33 H new ATOM 0 HD21 LEU A 88 8.696 4.686 16.468 1.00 10.24 H new ATOM 0 HD22 LEU A 88 9.711 5.687 15.402 1.00 10.24 H new ATOM 0 HD23 LEU A 88 9.156 6.331 16.965 1.00 10.24 H new ATOM 1446 N ASP A 89 7.566 10.690 15.138 1.00 42.24 N ATOM 1447 CA ASP A 89 8.001 12.070 14.873 1.00 41.15 C ATOM 1448 C ASP A 89 9.513 12.137 14.580 1.00 75.21 C ATOM 1449 O ASP A 89 10.189 11.111 14.490 1.00 73.33 O ATOM 1450 CB ASP A 89 7.662 12.969 16.070 1.00 33.41 C ATOM 1451 CG ASP A 89 8.660 12.814 17.205 1.00 52.54 C ATOM 1452 OD1 ASP A 89 8.809 11.696 17.719 1.00 12.51 O ATOM 1453 OD2 ASP A 89 9.331 13.811 17.557 1.00 20.21 O ATOM 0 H ASP A 89 7.735 10.370 16.092 1.00 42.24 H new ATOM 0 HA ASP A 89 7.469 12.424 13.990 1.00 41.15 H new ATOM 0 HB2 ASP A 89 7.641 14.010 15.746 1.00 33.41 H new ATOM 0 HB3 ASP A 89 6.663 12.728 16.432 1.00 33.41 H new ATOM 1458 N ALA A 90 10.031 13.358 14.448 1.00 74.21 N ATOM 1459 CA ALA A 90 11.464 13.587 14.213 1.00 3.50 C ATOM 1460 C ALA A 90 12.354 12.862 15.240 1.00 51.32 C ATOM 1461 O ALA A 90 13.405 12.324 14.897 1.00 71.02 O ATOM 1462 CB ALA A 90 11.758 15.083 14.243 1.00 73.11 C ATOM 0 H ALA A 90 9.477 14.213 14.500 1.00 74.21 H new ATOM 0 HA ALA A 90 11.701 13.176 13.232 1.00 3.50 H new ATOM 0 HB1 ALA A 90 12.821 15.248 14.068 1.00 73.11 H new ATOM 0 HB2 ALA A 90 11.180 15.583 13.465 1.00 73.11 H new ATOM 0 HB3 ALA A 90 11.483 15.488 15.217 1.00 73.11 H new ATOM 1468 N HIS A 91 11.919 12.848 16.500 1.00 11.14 N ATOM 1469 CA HIS A 91 12.705 12.257 17.593 1.00 64.14 C ATOM 1470 C HIS A 91 12.438 10.750 17.764 1.00 34.31 C ATOM 1471 O HIS A 91 12.809 10.164 18.786 1.00 2.11 O ATOM 1472 CB HIS A 91 12.399 12.990 18.902 1.00 3.13 C ATOM 1473 CG HIS A 91 12.723 14.447 18.847 1.00 45.31 C ATOM 1474 ND1 HIS A 91 13.997 14.939 19.016 1.00 2.33 N ATOM 1475 CD2 HIS A 91 11.935 15.525 18.620 1.00 30.32 C ATOM 1476 CE1 HIS A 91 13.981 16.250 18.895 1.00 71.54 C ATOM 1477 NE2 HIS A 91 12.744 16.632 18.653 1.00 35.43 N ATOM 0 H HIS A 91 11.024 13.240 16.794 1.00 11.14 H new ATOM 0 HA HIS A 91 13.758 12.371 17.335 1.00 64.14 H new ATOM 0 HB2 HIS A 91 11.343 12.868 19.142 1.00 3.13 H new ATOM 0 HB3 HIS A 91 12.965 12.528 19.711 1.00 3.13 H new ATOM 0 HD2 HIS A 91 10.869 15.515 18.446 1.00 30.32 H new ATOM 0 HE1 HIS A 91 14.838 16.902 18.980 1.00 71.54 H new ATOM 0 HE2 HIS A 91 12.437 17.595 18.513 1.00 35.43 H new ATOM 1486 N ASN A 92 11.799 10.133 16.771 1.00 31.23 N ATOM 1487 CA ASN A 92 11.543 8.682 16.779 1.00 33.32 C ATOM 1488 C ASN A 92 10.650 8.252 17.960 1.00 65.14 C ATOM 1489 O ASN A 92 10.712 7.107 18.411 1.00 24.30 O ATOM 1490 CB ASN A 92 12.870 7.906 16.813 1.00 71.51 C ATOM 1491 CG ASN A 92 13.724 8.141 15.579 1.00 25.14 C ATOM 1492 OD1 ASN A 92 13.100 8.255 14.426 1.00 23.54 O flip ATOM 1493 ND2 ASN A 92 14.948 8.188 15.657 1.00 53.42 N flip ATOM 0 H ASN A 92 11.445 10.613 15.944 1.00 31.23 H new ATOM 0 HA ASN A 92 11.006 8.446 15.860 1.00 33.32 H new ATOM 0 HB2 ASN A 92 13.433 8.198 17.699 1.00 71.51 H new ATOM 0 HB3 ASN A 92 12.660 6.840 16.906 1.00 71.51 H new ATOM 0 HD21 ASN A 92 15.405 8.097 16.564 1.00 53.42 H new ATOM 0 HD22 ASN A 92 15.508 8.318 14.815 1.00 53.42 H new ATOM 1500 N ALA A 93 9.816 9.161 18.450 1.00 71.43 N ATOM 1501 CA ALA A 93 8.868 8.837 19.519 1.00 53.21 C ATOM 1502 C ALA A 93 7.571 8.258 18.941 1.00 12.44 C ATOM 1503 O ALA A 93 7.107 8.676 17.878 1.00 74.02 O ATOM 1504 CB ALA A 93 8.572 10.070 20.367 1.00 31.33 C ATOM 0 H ALA A 93 9.774 10.128 18.128 1.00 71.43 H new ATOM 0 HA ALA A 93 9.324 8.081 20.158 1.00 53.21 H new ATOM 0 HB1 ALA A 93 7.866 9.809 21.155 1.00 31.33 H new ATOM 0 HB2 ALA A 93 9.497 10.434 20.814 1.00 31.33 H new ATOM 0 HB3 ALA A 93 8.141 10.849 19.738 1.00 31.33 H new ATOM 1510 N GLU A 94 6.994 7.289 19.643 1.00 65.21 N ATOM 1511 CA GLU A 94 5.765 6.633 19.195 1.00 75.32 C ATOM 1512 C GLU A 94 4.574 7.605 19.256 1.00 72.22 C ATOM 1513 O GLU A 94 3.963 7.796 20.310 1.00 22.14 O ATOM 1514 CB GLU A 94 5.505 5.392 20.059 1.00 72.34 C ATOM 1515 CG GLU A 94 6.651 4.379 20.031 1.00 2.45 C ATOM 1516 CD GLU A 94 6.482 3.266 21.054 1.00 31.24 C ATOM 1517 OE1 GLU A 94 5.420 2.617 21.059 1.00 21.44 O ATOM 1518 OE2 GLU A 94 7.409 3.034 21.856 1.00 21.44 O ATOM 0 H GLU A 94 7.357 6.937 20.529 1.00 65.21 H new ATOM 0 HA GLU A 94 5.884 6.323 18.157 1.00 75.32 H new ATOM 0 HB2 GLU A 94 5.332 5.705 21.089 1.00 72.34 H new ATOM 0 HB3 GLU A 94 4.592 4.905 19.717 1.00 72.34 H new ATOM 0 HG2 GLU A 94 6.719 3.943 19.035 1.00 2.45 H new ATOM 0 HG3 GLU A 94 7.592 4.897 20.217 1.00 2.45 H new ATOM 1525 N LEU A 95 4.276 8.240 18.122 1.00 0.22 N ATOM 1526 CA LEU A 95 3.222 9.259 18.051 1.00 1.23 C ATOM 1527 C LEU A 95 1.885 8.646 17.588 1.00 11.22 C ATOM 1528 O LEU A 95 0.955 8.476 18.381 1.00 73.02 O ATOM 1529 CB LEU A 95 3.669 10.384 17.091 1.00 51.21 C ATOM 1530 CG LEU A 95 3.057 11.781 17.332 1.00 75.22 C ATOM 1531 CD1 LEU A 95 1.542 11.781 17.142 1.00 74.41 C ATOM 1532 CD2 LEU A 95 3.430 12.289 18.724 1.00 3.21 C ATOM 0 H LEU A 95 4.750 8.067 17.236 1.00 0.22 H new ATOM 0 HA LEU A 95 3.062 9.673 19.046 1.00 1.23 H new ATOM 0 HB2 LEU A 95 4.754 10.472 17.151 1.00 51.21 H new ATOM 0 HB3 LEU A 95 3.430 10.078 16.073 1.00 51.21 H new ATOM 0 HG LEU A 95 3.473 12.458 16.586 1.00 75.22 H new ATOM 0 HD11 LEU A 95 1.153 12.783 17.321 1.00 74.41 H new ATOM 0 HD12 LEU A 95 1.303 11.476 16.123 1.00 74.41 H new ATOM 0 HD13 LEU A 95 1.087 11.084 17.846 1.00 74.41 H new ATOM 0 HD21 LEU A 95 2.992 13.275 18.881 1.00 3.21 H new ATOM 0 HD22 LEU A 95 3.050 11.599 19.477 1.00 3.21 H new ATOM 0 HD23 LEU A 95 4.515 12.356 18.808 1.00 3.21 H new ATOM 1544 N ALA A 96 1.797 8.313 16.302 1.00 23.33 N ATOM 1545 CA ALA A 96 0.558 7.788 15.717 1.00 3.34 C ATOM 1546 C ALA A 96 0.706 6.328 15.259 1.00 15.32 C ATOM 1547 O ALA A 96 1.724 5.941 14.685 1.00 63.11 O ATOM 1548 CB ALA A 96 0.127 8.665 14.548 1.00 52.20 C ATOM 0 H ALA A 96 2.569 8.397 15.641 1.00 23.33 H new ATOM 0 HA ALA A 96 -0.208 7.807 16.493 1.00 3.34 H new ATOM 0 HB1 ALA A 96 -0.793 8.271 14.117 1.00 52.20 H new ATOM 0 HB2 ALA A 96 -0.044 9.682 14.900 1.00 52.20 H new ATOM 0 HB3 ALA A 96 0.909 8.670 13.789 1.00 52.20 H new ATOM 1554 N SER A 97 -0.316 5.522 15.523 1.00 51.31 N ATOM 1555 CA SER A 97 -0.343 4.122 15.077 1.00 43.33 C ATOM 1556 C SER A 97 -1.098 3.985 13.750 1.00 43.44 C ATOM 1557 O SER A 97 -2.295 4.256 13.674 1.00 32.33 O ATOM 1558 CB SER A 97 -0.994 3.234 16.145 1.00 34.13 C ATOM 1559 OG SER A 97 -0.275 3.294 17.371 1.00 22.25 O ATOM 0 H SER A 97 -1.143 5.810 16.046 1.00 51.31 H new ATOM 0 HA SER A 97 0.686 3.796 14.924 1.00 43.33 H new ATOM 0 HB2 SER A 97 -2.024 3.552 16.308 1.00 34.13 H new ATOM 0 HB3 SER A 97 -1.031 2.203 15.792 1.00 34.13 H new ATOM 0 HG SER A 97 -0.712 2.721 18.035 1.00 22.25 H new ATOM 1565 N LEU A 98 -0.391 3.570 12.703 1.00 3.04 N ATOM 1566 CA LEU A 98 -0.990 3.417 11.376 1.00 21.14 C ATOM 1567 C LEU A 98 -1.504 1.980 11.184 1.00 5.41 C ATOM 1568 O LEU A 98 -0.737 1.055 10.907 1.00 51.04 O ATOM 1569 CB LEU A 98 0.037 3.803 10.294 1.00 64.20 C ATOM 1570 CG LEU A 98 -0.493 3.872 8.851 1.00 25.45 C ATOM 1571 CD1 LEU A 98 -1.751 4.738 8.773 1.00 20.13 C ATOM 1572 CD2 LEU A 98 0.587 4.424 7.921 1.00 34.42 C ATOM 0 H LEU A 98 0.600 3.332 12.746 1.00 3.04 H new ATOM 0 HA LEU A 98 -1.846 4.086 11.284 1.00 21.14 H new ATOM 0 HB2 LEU A 98 0.458 4.775 10.552 1.00 64.20 H new ATOM 0 HB3 LEU A 98 0.855 3.083 10.325 1.00 64.20 H new ATOM 0 HG LEU A 98 -0.754 2.863 8.533 1.00 25.45 H new ATOM 0 HD11 LEU A 98 -2.107 4.771 7.743 1.00 20.13 H new ATOM 0 HD12 LEU A 98 -2.526 4.312 9.411 1.00 20.13 H new ATOM 0 HD13 LEU A 98 -1.519 5.748 9.109 1.00 20.13 H new ATOM 0 HD21 LEU A 98 0.202 4.469 6.902 1.00 34.42 H new ATOM 0 HD22 LEU A 98 0.870 5.425 8.246 1.00 34.42 H new ATOM 0 HD23 LEU A 98 1.460 3.772 7.950 1.00 34.42 H new ATOM 1584 N GLN A 99 -2.812 1.805 11.372 1.00 12.33 N ATOM 1585 CA GLN A 99 -3.443 0.477 11.365 1.00 54.11 C ATOM 1586 C GLN A 99 -3.182 -0.301 10.062 1.00 71.14 C ATOM 1587 O GLN A 99 -3.047 0.282 8.984 1.00 41.51 O ATOM 1588 CB GLN A 99 -4.953 0.616 11.603 1.00 65.50 C ATOM 1589 CG GLN A 99 -5.310 1.399 12.866 1.00 43.32 C ATOM 1590 CD GLN A 99 -4.664 0.830 14.123 1.00 12.13 C ATOM 1591 OE1 GLN A 99 -3.574 1.230 14.517 1.00 32.13 O ATOM 1592 NE2 GLN A 99 -5.329 -0.110 14.759 1.00 75.32 N ATOM 0 H GLN A 99 -3.464 2.572 11.533 1.00 12.33 H new ATOM 0 HA GLN A 99 -2.990 -0.098 12.173 1.00 54.11 H new ATOM 0 HB2 GLN A 99 -5.403 1.110 10.742 1.00 65.50 H new ATOM 0 HB3 GLN A 99 -5.394 -0.379 11.667 1.00 65.50 H new ATOM 0 HG2 GLN A 99 -5.000 2.437 12.743 1.00 43.32 H new ATOM 0 HG3 GLN A 99 -6.393 1.402 12.991 1.00 43.32 H new ATOM 0 HE21 GLN A 99 -6.234 -0.422 14.407 1.00 75.32 H new ATOM 0 HE22 GLN A 99 -4.940 -0.527 15.605 1.00 75.32 H new ATOM 1601 N GLU A 100 -3.123 -1.630 10.183 1.00 3.31 N ATOM 1602 CA GLU A 100 -2.813 -2.507 9.048 1.00 52.03 C ATOM 1603 C GLU A 100 -3.870 -2.411 7.932 1.00 42.24 C ATOM 1604 O GLU A 100 -5.006 -2.869 8.084 1.00 22.35 O ATOM 1605 CB GLU A 100 -2.674 -3.959 9.529 1.00 41.42 C ATOM 1606 CG GLU A 100 -2.283 -4.944 8.429 1.00 75.02 C ATOM 1607 CD GLU A 100 -2.038 -6.345 8.965 1.00 2.40 C ATOM 1608 OE1 GLU A 100 -3.023 -7.048 9.273 1.00 11.15 O ATOM 1609 OE2 GLU A 100 -0.858 -6.745 9.099 1.00 11.53 O ATOM 0 H GLU A 100 -3.287 -2.125 11.060 1.00 3.31 H new ATOM 0 HA GLU A 100 -1.867 -2.172 8.623 1.00 52.03 H new ATOM 0 HB2 GLU A 100 -1.926 -3.998 10.320 1.00 41.42 H new ATOM 0 HB3 GLU A 100 -3.619 -4.277 9.968 1.00 41.42 H new ATOM 0 HG2 GLU A 100 -3.073 -4.978 7.678 1.00 75.02 H new ATOM 0 HG3 GLU A 100 -1.383 -4.587 7.929 1.00 75.02 H new ATOM 1616 N ILE A 101 -3.476 -1.809 6.813 1.00 52.21 N ATOM 1617 CA ILE A 101 -4.357 -1.644 5.654 1.00 32.12 C ATOM 1618 C ILE A 101 -4.601 -2.983 4.937 1.00 14.33 C ATOM 1619 O ILE A 101 -3.673 -3.598 4.407 1.00 20.15 O ATOM 1620 CB ILE A 101 -3.757 -0.627 4.654 1.00 13.25 C ATOM 1621 CG1 ILE A 101 -3.494 0.715 5.357 1.00 73.11 C ATOM 1622 CG2 ILE A 101 -4.683 -0.439 3.448 1.00 60.02 C ATOM 1623 CD1 ILE A 101 -2.771 1.721 4.492 1.00 51.41 C ATOM 0 H ILE A 101 -2.541 -1.422 6.681 1.00 52.21 H new ATOM 0 HA ILE A 101 -5.312 -1.269 6.023 1.00 32.12 H new ATOM 0 HB ILE A 101 -2.808 -1.018 4.288 1.00 13.25 H new ATOM 0 HG12 ILE A 101 -4.445 1.141 5.676 1.00 73.11 H new ATOM 0 HG13 ILE A 101 -2.907 0.535 6.258 1.00 73.11 H new ATOM 0 HG21 ILE A 101 -4.241 0.280 2.758 1.00 60.02 H new ATOM 0 HG22 ILE A 101 -4.817 -1.394 2.940 1.00 60.02 H new ATOM 0 HG23 ILE A 101 -5.651 -0.069 3.787 1.00 60.02 H new ATOM 0 HD11 ILE A 101 -2.620 2.643 5.054 1.00 51.41 H new ATOM 0 HD12 ILE A 101 -1.804 1.316 4.193 1.00 51.41 H new ATOM 0 HD13 ILE A 101 -3.366 1.931 3.603 1.00 51.41 H new ATOM 1635 N ARG A 102 -5.854 -3.427 4.935 1.00 21.20 N ATOM 1636 CA ARG A 102 -6.243 -4.694 4.302 1.00 71.14 C ATOM 1637 C ARG A 102 -7.086 -4.450 3.039 1.00 52.33 C ATOM 1638 O ARG A 102 -8.161 -3.847 3.103 1.00 44.42 O ATOM 1639 CB ARG A 102 -7.040 -5.530 5.308 1.00 14.15 C ATOM 1640 CG ARG A 102 -6.290 -5.778 6.615 1.00 52.42 C ATOM 1641 CD ARG A 102 -7.241 -6.165 7.742 1.00 1.45 C ATOM 1642 NE ARG A 102 -8.234 -5.119 7.996 1.00 41.31 N ATOM 1643 CZ ARG A 102 -8.672 -4.794 9.181 1.00 15.12 C ATOM 1644 NH1 ARG A 102 -8.175 -5.340 10.242 1.00 23.30 N ATOM 1645 NH2 ARG A 102 -9.594 -3.895 9.300 1.00 73.52 N ATOM 0 H ARG A 102 -6.629 -2.925 5.369 1.00 21.20 H new ATOM 0 HA ARG A 102 -5.341 -5.228 4.003 1.00 71.14 H new ATOM 0 HB2 ARG A 102 -7.980 -5.024 5.527 1.00 14.15 H new ATOM 0 HB3 ARG A 102 -7.292 -6.488 4.854 1.00 14.15 H new ATOM 0 HG2 ARG A 102 -5.556 -6.570 6.469 1.00 52.42 H new ATOM 0 HG3 ARG A 102 -5.739 -4.880 6.895 1.00 52.42 H new ATOM 0 HD2 ARG A 102 -7.749 -7.095 7.486 1.00 1.45 H new ATOM 0 HD3 ARG A 102 -6.670 -6.353 8.651 1.00 1.45 H new ATOM 0 HE ARG A 102 -8.608 -4.611 7.194 1.00 41.31 H new ATOM 0 HH11 ARG A 102 -7.432 -6.033 10.158 1.00 23.30 H new ATOM 0 HH12 ARG A 102 -8.526 -5.077 11.163 1.00 23.30 H new ATOM 0 HH21 ARG A 102 -9.976 -3.443 8.469 1.00 73.52 H new ATOM 0 HH22 ARG A 102 -9.939 -3.638 10.225 1.00 73.52 H new ATOM 1659 N LEU A 103 -6.592 -4.915 1.895 1.00 20.41 N ATOM 1660 CA LEU A 103 -7.304 -4.767 0.618 1.00 53.31 C ATOM 1661 C LEU A 103 -7.544 -6.131 -0.047 1.00 2.24 C ATOM 1662 O LEU A 103 -6.668 -6.991 -0.034 1.00 1.52 O ATOM 1663 CB LEU A 103 -6.502 -3.866 -0.334 1.00 75.12 C ATOM 1664 CG LEU A 103 -6.234 -2.440 0.173 1.00 71.20 C ATOM 1665 CD1 LEU A 103 -5.362 -1.676 -0.816 1.00 42.41 C ATOM 1666 CD2 LEU A 103 -7.547 -1.695 0.421 1.00 61.44 C ATOM 0 H LEU A 103 -5.698 -5.400 1.821 1.00 20.41 H new ATOM 0 HA LEU A 103 -8.271 -4.309 0.827 1.00 53.31 H new ATOM 0 HB2 LEU A 103 -5.545 -4.345 -0.540 1.00 75.12 H new ATOM 0 HB3 LEU A 103 -7.037 -3.801 -1.282 1.00 75.12 H new ATOM 0 HG LEU A 103 -5.700 -2.510 1.121 1.00 71.20 H new ATOM 0 HD11 LEU A 103 -5.183 -0.669 -0.440 1.00 42.41 H new ATOM 0 HD12 LEU A 103 -4.410 -2.193 -0.937 1.00 42.41 H new ATOM 0 HD13 LEU A 103 -5.869 -1.619 -1.779 1.00 42.41 H new ATOM 0 HD21 LEU A 103 -7.332 -0.688 0.779 1.00 61.44 H new ATOM 0 HD22 LEU A 103 -8.113 -1.636 -0.509 1.00 61.44 H new ATOM 0 HD23 LEU A 103 -8.133 -2.229 1.169 1.00 61.44 H new ATOM 1678 N THR A 104 -8.731 -6.324 -0.626 1.00 65.54 N ATOM 1679 CA THR A 104 -9.063 -7.584 -1.319 1.00 3.43 C ATOM 1680 C THR A 104 -9.626 -7.340 -2.728 1.00 65.35 C ATOM 1681 O THR A 104 -10.675 -6.714 -2.897 1.00 25.31 O ATOM 1682 CB THR A 104 -10.084 -8.437 -0.520 1.00 74.55 C ATOM 1683 OG1 THR A 104 -11.263 -7.668 -0.236 1.00 54.24 O ATOM 1684 CG2 THR A 104 -9.480 -8.942 0.784 1.00 14.31 C ATOM 0 H THR A 104 -9.480 -5.631 -0.632 1.00 65.54 H new ATOM 0 HA THR A 104 -8.122 -8.129 -1.399 1.00 3.43 H new ATOM 0 HB THR A 104 -10.350 -9.297 -1.135 1.00 74.55 H new ATOM 0 HG1 THR A 104 -11.491 -7.119 -1.015 1.00 54.24 H new ATOM 0 HG21 THR A 104 -10.219 -9.536 1.321 1.00 14.31 H new ATOM 0 HG22 THR A 104 -8.608 -9.558 0.566 1.00 14.31 H new ATOM 0 HG23 THR A 104 -9.180 -8.093 1.399 1.00 14.31 H new ATOM 1692 N ARG A 105 -8.912 -7.826 -3.743 1.00 11.12 N ATOM 1693 CA ARG A 105 -9.388 -7.775 -5.136 1.00 31.44 C ATOM 1694 C ARG A 105 -9.594 -9.193 -5.688 1.00 64.24 C ATOM 1695 O ARG A 105 -8.942 -10.140 -5.254 1.00 3.02 O ATOM 1696 CB ARG A 105 -8.414 -6.982 -6.032 1.00 43.03 C ATOM 1697 CG ARG A 105 -8.632 -5.465 -5.997 1.00 22.10 C ATOM 1698 CD ARG A 105 -8.254 -4.846 -4.652 1.00 11.24 C ATOM 1699 NE ARG A 105 -8.825 -3.507 -4.487 1.00 61.21 N ATOM 1700 CZ ARG A 105 -8.185 -2.390 -4.716 1.00 34.14 C ATOM 1701 NH1 ARG A 105 -6.978 -2.401 -5.180 1.00 61.10 N ATOM 1702 NH2 ARG A 105 -8.773 -1.258 -4.505 1.00 4.32 N ATOM 0 H ARG A 105 -7.997 -8.263 -3.631 1.00 11.12 H new ATOM 0 HA ARG A 105 -10.347 -7.256 -5.142 1.00 31.44 H new ATOM 0 HB2 ARG A 105 -7.392 -7.199 -5.722 1.00 43.03 H new ATOM 0 HB3 ARG A 105 -8.516 -7.330 -7.060 1.00 43.03 H new ATOM 0 HG2 ARG A 105 -8.041 -4.999 -6.786 1.00 22.10 H new ATOM 0 HG3 ARG A 105 -9.678 -5.247 -6.211 1.00 22.10 H new ATOM 0 HD2 ARG A 105 -8.602 -5.491 -3.845 1.00 11.24 H new ATOM 0 HD3 ARG A 105 -7.168 -4.790 -4.570 1.00 11.24 H new ATOM 0 HE ARG A 105 -9.792 -3.441 -4.170 1.00 61.21 H new ATOM 0 HH11 ARG A 105 -6.513 -3.289 -5.372 1.00 61.10 H new ATOM 0 HH12 ARG A 105 -6.490 -1.522 -5.354 1.00 61.10 H new ATOM 0 HH21 ARG A 105 -9.733 -1.238 -4.161 1.00 4.32 H new ATOM 0 HH22 ARG A 105 -8.277 -0.385 -4.683 1.00 4.32 H new ATOM 1716 N ILE A 106 -10.514 -9.335 -6.641 1.00 31.22 N ATOM 1717 CA ILE A 106 -10.889 -10.656 -7.162 1.00 12.03 C ATOM 1718 C ILE A 106 -10.402 -10.882 -8.603 1.00 75.52 C ATOM 1719 O ILE A 106 -10.715 -10.109 -9.509 1.00 22.42 O ATOM 1720 CB ILE A 106 -12.429 -10.850 -7.109 1.00 4.20 C ATOM 1721 CG1 ILE A 106 -12.948 -10.675 -5.670 1.00 61.23 C ATOM 1722 CG2 ILE A 106 -12.828 -12.219 -7.664 1.00 22.00 C ATOM 1723 CD1 ILE A 106 -12.337 -11.636 -4.666 1.00 41.32 C ATOM 0 H ILE A 106 -11.014 -8.556 -7.069 1.00 31.22 H new ATOM 0 HA ILE A 106 -10.399 -11.389 -6.521 1.00 12.03 H new ATOM 0 HB ILE A 106 -12.888 -10.085 -7.736 1.00 4.20 H new ATOM 0 HG12 ILE A 106 -12.749 -9.654 -5.346 1.00 61.23 H new ATOM 0 HG13 ILE A 106 -14.030 -10.805 -5.668 1.00 61.23 H new ATOM 0 HG21 ILE A 106 -13.911 -12.330 -7.616 1.00 22.00 H new ATOM 0 HG22 ILE A 106 -12.501 -12.301 -8.701 1.00 22.00 H new ATOM 0 HG23 ILE A 106 -12.356 -13.003 -7.072 1.00 22.00 H new ATOM 0 HD11 ILE A 106 -12.756 -11.445 -3.678 1.00 41.32 H new ATOM 0 HD12 ILE A 106 -12.558 -12.661 -4.963 1.00 41.32 H new ATOM 0 HD13 ILE A 106 -11.257 -11.492 -4.635 1.00 41.32 H new ATOM 1735 N LEU A 107 -9.631 -11.949 -8.796 1.00 52.23 N ATOM 1736 CA LEU A 107 -9.192 -12.372 -10.134 1.00 60.12 C ATOM 1737 C LEU A 107 -10.175 -13.425 -10.698 1.00 33.01 C ATOM 1738 O LEU A 107 -10.282 -14.529 -10.162 1.00 51.22 O ATOM 1739 CB LEU A 107 -7.753 -12.934 -10.044 1.00 21.21 C ATOM 1740 CG LEU A 107 -6.993 -13.164 -11.373 1.00 64.44 C ATOM 1741 CD1 LEU A 107 -7.534 -14.369 -12.144 1.00 12.12 C ATOM 1742 CD2 LEU A 107 -7.028 -11.908 -12.237 1.00 34.20 C ATOM 0 H LEU A 107 -9.292 -12.544 -8.040 1.00 52.23 H new ATOM 0 HA LEU A 107 -9.187 -11.520 -10.814 1.00 60.12 H new ATOM 0 HB2 LEU A 107 -7.163 -12.252 -9.432 1.00 21.21 H new ATOM 0 HB3 LEU A 107 -7.795 -13.884 -9.511 1.00 21.21 H new ATOM 0 HG LEU A 107 -5.956 -13.384 -11.119 1.00 64.44 H new ATOM 0 HD11 LEU A 107 -6.971 -14.492 -13.069 1.00 12.12 H new ATOM 0 HD12 LEU A 107 -7.431 -15.267 -11.535 1.00 12.12 H new ATOM 0 HD13 LEU A 107 -8.586 -14.208 -12.378 1.00 12.12 H new ATOM 0 HD21 LEU A 107 -6.488 -12.090 -13.166 1.00 34.20 H new ATOM 0 HD22 LEU A 107 -8.063 -11.650 -12.463 1.00 34.20 H new ATOM 0 HD23 LEU A 107 -6.558 -11.084 -11.700 1.00 34.20 H new ATOM 1754 N PRO A 108 -10.917 -13.093 -11.777 1.00 65.40 N ATOM 1755 CA PRO A 108 -11.932 -13.997 -12.353 1.00 55.22 C ATOM 1756 C PRO A 108 -11.346 -15.102 -13.257 1.00 1.11 C ATOM 1757 O PRO A 108 -10.277 -14.941 -13.852 1.00 32.22 O ATOM 1758 CB PRO A 108 -12.807 -13.038 -13.168 1.00 52.35 C ATOM 1759 CG PRO A 108 -11.866 -11.970 -13.618 1.00 33.13 C ATOM 1760 CD PRO A 108 -10.836 -11.819 -12.521 1.00 12.10 C ATOM 0 HA PRO A 108 -12.461 -14.553 -11.579 1.00 55.22 H new ATOM 0 HB2 PRO A 108 -13.269 -13.544 -14.016 1.00 52.35 H new ATOM 0 HB3 PRO A 108 -13.616 -12.627 -12.564 1.00 52.35 H new ATOM 0 HG2 PRO A 108 -11.392 -12.242 -14.561 1.00 33.13 H new ATOM 0 HG3 PRO A 108 -12.395 -11.032 -13.786 1.00 33.13 H new ATOM 0 HD2 PRO A 108 -9.838 -11.658 -12.930 1.00 12.10 H new ATOM 0 HD3 PRO A 108 -11.059 -10.967 -11.879 1.00 12.10 H new ATOM 1768 N PHE A 109 -12.067 -16.222 -13.360 1.00 63.21 N ATOM 1769 CA PHE A 109 -11.635 -17.357 -14.185 1.00 11.03 C ATOM 1770 C PHE A 109 -11.780 -17.070 -15.688 1.00 61.15 C ATOM 1771 O PHE A 109 -12.871 -16.772 -16.177 1.00 41.21 O ATOM 1772 CB PHE A 109 -12.437 -18.616 -13.826 1.00 35.40 C ATOM 1773 CG PHE A 109 -12.132 -19.806 -14.707 1.00 2.04 C ATOM 1774 CD1 PHE A 109 -10.923 -20.480 -14.595 1.00 63.31 C ATOM 1775 CD2 PHE A 109 -13.057 -20.254 -15.643 1.00 22.24 C ATOM 1776 CE1 PHE A 109 -10.642 -21.570 -15.397 1.00 51.14 C ATOM 1777 CE2 PHE A 109 -12.779 -21.344 -16.447 1.00 63.00 C ATOM 1778 CZ PHE A 109 -11.571 -22.003 -16.322 1.00 62.24 C ATOM 0 H PHE A 109 -12.956 -16.368 -12.881 1.00 63.21 H new ATOM 0 HA PHE A 109 -10.578 -17.519 -13.974 1.00 11.03 H new ATOM 0 HB2 PHE A 109 -12.233 -18.882 -12.789 1.00 35.40 H new ATOM 0 HB3 PHE A 109 -13.501 -18.389 -13.893 1.00 35.40 H new ATOM 0 HD1 PHE A 109 -10.193 -20.148 -13.872 1.00 63.31 H new ATOM 0 HD2 PHE A 109 -14.004 -19.745 -15.743 1.00 22.24 H new ATOM 0 HE1 PHE A 109 -9.696 -22.083 -15.300 1.00 51.14 H new ATOM 0 HE2 PHE A 109 -13.505 -21.680 -17.172 1.00 63.00 H new ATOM 0 HZ PHE A 109 -11.354 -22.856 -16.947 1.00 62.24 H new ATOM 1788 N LEU A 110 -10.668 -17.172 -16.409 1.00 12.04 N ATOM 1789 CA LEU A 110 -10.658 -17.052 -17.871 1.00 3.21 C ATOM 1790 C LEU A 110 -9.809 -18.172 -18.487 1.00 52.01 C ATOM 1791 O LEU A 110 -8.890 -18.686 -17.849 1.00 24.31 O ATOM 1792 CB LEU A 110 -10.112 -15.678 -18.295 1.00 55.44 C ATOM 1793 CG LEU A 110 -10.995 -14.473 -17.925 1.00 73.24 C ATOM 1794 CD1 LEU A 110 -10.280 -13.161 -18.239 1.00 14.35 C ATOM 1795 CD2 LEU A 110 -12.335 -14.541 -18.659 1.00 54.41 C ATOM 0 H LEU A 110 -9.748 -17.340 -16.002 1.00 12.04 H new ATOM 0 HA LEU A 110 -11.682 -17.145 -18.234 1.00 3.21 H new ATOM 0 HB2 LEU A 110 -9.131 -15.540 -17.841 1.00 55.44 H new ATOM 0 HB3 LEU A 110 -9.966 -15.682 -19.375 1.00 55.44 H new ATOM 0 HG LEU A 110 -11.187 -14.510 -16.853 1.00 73.24 H new ATOM 0 HD11 LEU A 110 -10.923 -12.323 -17.969 1.00 14.35 H new ATOM 0 HD12 LEU A 110 -9.353 -13.106 -17.668 1.00 14.35 H new ATOM 0 HD13 LEU A 110 -10.053 -13.116 -19.304 1.00 14.35 H new ATOM 0 HD21 LEU A 110 -12.945 -13.680 -18.384 1.00 54.41 H new ATOM 0 HD22 LEU A 110 -12.161 -14.534 -19.735 1.00 54.41 H new ATOM 0 HD23 LEU A 110 -12.856 -15.458 -18.382 1.00 54.41 H new ATOM 1807 N ASP A 111 -10.121 -18.553 -19.721 1.00 33.31 N ATOM 1808 CA ASP A 111 -9.390 -19.626 -20.405 1.00 0.40 C ATOM 1809 C ASP A 111 -8.929 -19.193 -21.810 1.00 74.41 C ATOM 1810 O ASP A 111 -9.667 -18.522 -22.535 1.00 34.03 O ATOM 1811 CB ASP A 111 -10.274 -20.880 -20.483 1.00 14.32 C ATOM 1812 CG ASP A 111 -9.634 -22.012 -21.266 1.00 10.21 C ATOM 1813 OD1 ASP A 111 -8.740 -22.696 -20.720 1.00 35.13 O ATOM 1814 OD2 ASP A 111 -10.028 -22.231 -22.430 1.00 24.22 O ATOM 0 H ASP A 111 -10.873 -18.139 -20.272 1.00 33.31 H new ATOM 0 HA ASP A 111 -8.493 -19.853 -19.830 1.00 0.40 H new ATOM 0 HB2 ASP A 111 -10.495 -21.225 -19.473 1.00 14.32 H new ATOM 0 HB3 ASP A 111 -11.225 -20.618 -20.946 1.00 14.32 H new ATOM 1819 N ALA A 112 -7.691 -19.569 -22.165 1.00 73.25 N ATOM 1820 CA ALA A 112 -7.102 -19.291 -23.491 1.00 14.23 C ATOM 1821 C ALA A 112 -6.693 -17.815 -23.665 1.00 12.12 C ATOM 1822 O ALA A 112 -5.550 -17.525 -24.023 1.00 13.13 O ATOM 1823 CB ALA A 112 -8.048 -19.725 -24.613 1.00 21.52 C ATOM 0 H ALA A 112 -7.065 -20.077 -21.540 1.00 73.25 H new ATOM 0 HA ALA A 112 -6.188 -19.882 -23.554 1.00 14.23 H new ATOM 0 HB1 ALA A 112 -7.590 -19.509 -25.579 1.00 21.52 H new ATOM 0 HB2 ALA A 112 -8.240 -20.795 -24.533 1.00 21.52 H new ATOM 0 HB3 ALA A 112 -8.988 -19.180 -24.527 1.00 21.52 H new ATOM 1829 N GLN A 113 -7.625 -16.895 -23.409 1.00 72.10 N ATOM 1830 CA GLN A 113 -7.390 -15.452 -23.573 1.00 51.41 C ATOM 1831 C GLN A 113 -6.131 -14.966 -22.826 1.00 1.24 C ATOM 1832 O GLN A 113 -6.210 -14.576 -21.663 1.00 20.22 O ATOM 1833 CB GLN A 113 -8.612 -14.667 -23.061 1.00 44.25 C ATOM 1834 CG GLN A 113 -9.917 -14.969 -23.792 1.00 73.31 C ATOM 1835 CD GLN A 113 -9.991 -14.354 -25.180 1.00 71.02 C ATOM 1836 OE1 GLN A 113 -8.984 -14.183 -25.864 1.00 23.32 O ATOM 1837 NE2 GLN A 113 -11.189 -14.002 -25.599 1.00 33.43 N ATOM 0 H GLN A 113 -8.564 -17.125 -23.083 1.00 72.10 H new ATOM 0 HA GLN A 113 -7.233 -15.273 -24.637 1.00 51.41 H new ATOM 0 HB2 GLN A 113 -8.747 -14.883 -22.001 1.00 44.25 H new ATOM 0 HB3 GLN A 113 -8.403 -13.601 -23.145 1.00 44.25 H new ATOM 0 HG2 GLN A 113 -10.036 -16.049 -23.875 1.00 73.31 H new ATOM 0 HG3 GLN A 113 -10.752 -14.601 -23.195 1.00 73.31 H new ATOM 0 HE21 GLN A 113 -12.003 -14.159 -25.005 1.00 33.43 H new ATOM 0 HE22 GLN A 113 -11.302 -13.573 -26.517 1.00 33.43 H new ATOM 1846 N GLU A 114 -4.978 -14.980 -23.498 1.00 65.25 N ATOM 1847 CA GLU A 114 -3.721 -14.539 -22.875 1.00 13.01 C ATOM 1848 C GLU A 114 -3.754 -13.042 -22.507 1.00 51.34 C ATOM 1849 O GLU A 114 -3.354 -12.659 -21.403 1.00 23.42 O ATOM 1850 CB GLU A 114 -2.515 -14.834 -23.787 1.00 12.51 C ATOM 1851 CG GLU A 114 -2.585 -14.178 -25.165 1.00 63.21 C ATOM 1852 CD GLU A 114 -1.249 -14.190 -25.892 1.00 41.52 C ATOM 1853 OE1 GLU A 114 -0.395 -13.324 -25.591 1.00 15.31 O ATOM 1854 OE2 GLU A 114 -1.035 -15.067 -26.755 1.00 42.21 O ATOM 0 H GLU A 114 -4.885 -15.289 -24.466 1.00 65.25 H new ATOM 0 HA GLU A 114 -3.610 -15.108 -21.952 1.00 13.01 H new ATOM 0 HB2 GLU A 114 -1.607 -14.500 -23.286 1.00 12.51 H new ATOM 0 HB3 GLU A 114 -2.429 -15.913 -23.916 1.00 12.51 H new ATOM 0 HG2 GLU A 114 -3.328 -14.696 -25.771 1.00 63.21 H new ATOM 0 HG3 GLU A 114 -2.925 -13.148 -25.055 1.00 63.21 H new ATOM 1861 N LEU A 115 -4.237 -12.196 -23.426 1.00 52.34 N ATOM 1862 CA LEU A 115 -4.344 -10.751 -23.161 1.00 52.03 C ATOM 1863 C LEU A 115 -5.211 -10.477 -21.924 1.00 52.13 C ATOM 1864 O LEU A 115 -4.811 -9.731 -21.032 1.00 50.22 O ATOM 1865 CB LEU A 115 -4.919 -9.994 -24.376 1.00 63.25 C ATOM 1866 CG LEU A 115 -3.910 -9.596 -25.473 1.00 13.42 C ATOM 1867 CD1 LEU A 115 -2.801 -8.718 -24.896 1.00 71.10 C ATOM 1868 CD2 LEU A 115 -3.323 -10.824 -26.162 1.00 30.34 C ATOM 0 H LEU A 115 -4.558 -12.481 -24.351 1.00 52.34 H new ATOM 0 HA LEU A 115 -3.334 -10.387 -22.972 1.00 52.03 H new ATOM 0 HB2 LEU A 115 -5.692 -10.614 -24.831 1.00 63.25 H new ATOM 0 HB3 LEU A 115 -5.407 -9.089 -24.015 1.00 63.25 H new ATOM 0 HG LEU A 115 -4.449 -9.020 -26.225 1.00 13.42 H new ATOM 0 HD11 LEU A 115 -2.101 -8.449 -25.687 1.00 71.10 H new ATOM 0 HD12 LEU A 115 -3.236 -7.812 -24.474 1.00 71.10 H new ATOM 0 HD13 LEU A 115 -2.273 -9.265 -24.115 1.00 71.10 H new ATOM 0 HD21 LEU A 115 -2.616 -10.508 -26.929 1.00 30.34 H new ATOM 0 HD22 LEU A 115 -2.808 -11.442 -25.427 1.00 30.34 H new ATOM 0 HD23 LEU A 115 -4.125 -11.401 -26.623 1.00 30.34 H new ATOM 1880 N ALA A 116 -6.393 -11.091 -21.879 1.00 53.15 N ATOM 1881 CA ALA A 116 -7.309 -10.921 -20.745 1.00 45.23 C ATOM 1882 C ALA A 116 -6.704 -11.459 -19.435 1.00 12.42 C ATOM 1883 O ALA A 116 -6.554 -10.716 -18.464 1.00 22.02 O ATOM 1884 CB ALA A 116 -8.641 -11.604 -21.038 1.00 72.34 C ATOM 0 H ALA A 116 -6.741 -11.710 -22.612 1.00 53.15 H new ATOM 0 HA ALA A 116 -7.477 -9.852 -20.611 1.00 45.23 H new ATOM 0 HB1 ALA A 116 -9.312 -11.471 -20.190 1.00 72.34 H new ATOM 0 HB2 ALA A 116 -9.089 -11.162 -21.928 1.00 72.34 H new ATOM 0 HB3 ALA A 116 -8.475 -12.668 -21.206 1.00 72.34 H new ATOM 1890 N LYS A 117 -6.334 -12.746 -19.425 1.00 2.30 N ATOM 1891 CA LYS A 117 -5.770 -13.395 -18.228 1.00 0.54 C ATOM 1892 C LYS A 117 -4.578 -12.616 -17.650 1.00 41.33 C ATOM 1893 O LYS A 117 -4.400 -12.544 -16.430 1.00 42.14 O ATOM 1894 CB LYS A 117 -5.343 -14.830 -18.549 1.00 65.12 C ATOM 1895 CG LYS A 117 -6.513 -15.736 -18.916 1.00 72.04 C ATOM 1896 CD LYS A 117 -6.189 -17.211 -18.717 1.00 44.14 C ATOM 1897 CE LYS A 117 -5.938 -17.541 -17.247 1.00 42.20 C ATOM 1898 NZ LYS A 117 -4.541 -17.242 -16.822 1.00 62.05 N ATOM 0 H LYS A 117 -6.414 -13.362 -20.234 1.00 2.30 H new ATOM 0 HA LYS A 117 -6.556 -13.407 -17.473 1.00 0.54 H new ATOM 0 HB2 LYS A 117 -4.631 -14.815 -19.374 1.00 65.12 H new ATOM 0 HB3 LYS A 117 -4.823 -15.249 -17.687 1.00 65.12 H new ATOM 0 HG2 LYS A 117 -7.378 -15.472 -18.308 1.00 72.04 H new ATOM 0 HG3 LYS A 117 -6.790 -15.565 -19.956 1.00 72.04 H new ATOM 0 HD2 LYS A 117 -7.013 -17.818 -19.091 1.00 44.14 H new ATOM 0 HD3 LYS A 117 -5.309 -17.473 -19.304 1.00 44.14 H new ATOM 0 HE2 LYS A 117 -6.632 -16.973 -16.627 1.00 42.20 H new ATOM 0 HE3 LYS A 117 -6.148 -18.597 -17.075 1.00 42.20 H new ATOM 0 HZ1 LYS A 117 -4.125 -18.085 -16.378 1.00 62.05 H new ATOM 0 HZ2 LYS A 117 -3.975 -16.974 -17.652 1.00 62.05 H new ATOM 0 HZ3 LYS A 117 -4.546 -16.458 -16.139 1.00 62.05 H new ATOM 1912 N ALA A 118 -3.754 -12.050 -18.526 1.00 40.40 N ATOM 1913 CA ALA A 118 -2.615 -11.231 -18.099 1.00 5.42 C ATOM 1914 C ALA A 118 -3.069 -9.849 -17.597 1.00 50.03 C ATOM 1915 O ALA A 118 -2.696 -9.425 -16.504 1.00 5.23 O ATOM 1916 CB ALA A 118 -1.618 -11.081 -19.241 1.00 35.41 C ATOM 0 H ALA A 118 -3.850 -12.141 -19.537 1.00 40.40 H new ATOM 0 HA ALA A 118 -2.129 -11.741 -17.267 1.00 5.42 H new ATOM 0 HB1 ALA A 118 -0.777 -10.471 -18.912 1.00 35.41 H new ATOM 0 HB2 ALA A 118 -1.257 -12.065 -19.541 1.00 35.41 H new ATOM 0 HB3 ALA A 118 -2.106 -10.600 -20.089 1.00 35.41 H new ATOM 1922 N ALA A 119 -3.895 -9.168 -18.393 1.00 71.53 N ATOM 1923 CA ALA A 119 -4.351 -7.805 -18.078 1.00 62.04 C ATOM 1924 C ALA A 119 -5.072 -7.719 -16.721 1.00 40.34 C ATOM 1925 O ALA A 119 -4.856 -6.778 -15.955 1.00 73.33 O ATOM 1926 CB ALA A 119 -5.262 -7.295 -19.188 1.00 62.22 C ATOM 0 H ALA A 119 -4.266 -9.538 -19.268 1.00 71.53 H new ATOM 0 HA ALA A 119 -3.463 -7.176 -18.007 1.00 62.04 H new ATOM 0 HB1 ALA A 119 -5.596 -6.285 -18.949 1.00 62.22 H new ATOM 0 HB2 ALA A 119 -4.715 -7.283 -20.131 1.00 62.22 H new ATOM 0 HB3 ALA A 119 -6.127 -7.952 -19.279 1.00 62.22 H new ATOM 1932 N GLU A 120 -5.926 -8.702 -16.432 1.00 44.23 N ATOM 1933 CA GLU A 120 -6.672 -8.743 -15.165 1.00 32.50 C ATOM 1934 C GLU A 120 -5.724 -8.690 -13.952 1.00 3.41 C ATOM 1935 O GLU A 120 -5.796 -7.776 -13.130 1.00 24.42 O ATOM 1936 CB GLU A 120 -7.536 -10.017 -15.093 1.00 41.13 C ATOM 1937 CG GLU A 120 -8.563 -10.156 -16.215 1.00 74.44 C ATOM 1938 CD GLU A 120 -9.606 -9.048 -16.219 1.00 23.13 C ATOM 1939 OE1 GLU A 120 -10.442 -9.011 -15.289 1.00 62.44 O ATOM 1940 OE2 GLU A 120 -9.619 -8.232 -17.164 1.00 71.22 O ATOM 0 H GLU A 120 -6.121 -9.484 -17.057 1.00 44.23 H new ATOM 0 HA GLU A 120 -7.317 -7.865 -15.134 1.00 32.50 H new ATOM 0 HB2 GLU A 120 -6.879 -10.887 -15.110 1.00 41.13 H new ATOM 0 HB3 GLU A 120 -8.059 -10.032 -14.137 1.00 41.13 H new ATOM 0 HG2 GLU A 120 -8.045 -10.160 -17.174 1.00 74.44 H new ATOM 0 HG3 GLU A 120 -9.066 -11.118 -16.120 1.00 74.44 H new ATOM 1947 N GLU A 121 -4.826 -9.670 -13.862 1.00 1.24 N ATOM 1948 CA GLU A 121 -3.856 -9.748 -12.758 1.00 43.41 C ATOM 1949 C GLU A 121 -2.953 -8.498 -12.750 1.00 2.21 C ATOM 1950 O GLU A 121 -2.742 -7.870 -11.710 1.00 2.54 O ATOM 1951 CB GLU A 121 -3.013 -11.032 -12.914 1.00 71.02 C ATOM 1952 CG GLU A 121 -2.415 -11.587 -11.616 1.00 23.22 C ATOM 1953 CD GLU A 121 -1.210 -10.812 -11.091 1.00 75.31 C ATOM 1954 OE1 GLU A 121 -0.431 -10.279 -11.909 1.00 41.54 O ATOM 1955 OE2 GLU A 121 -1.014 -10.784 -9.856 1.00 4.45 O ATOM 0 H GLU A 121 -4.746 -10.427 -14.541 1.00 1.24 H new ATOM 0 HA GLU A 121 -4.387 -9.784 -11.807 1.00 43.41 H new ATOM 0 HB2 GLU A 121 -3.637 -11.803 -13.366 1.00 71.02 H new ATOM 0 HB3 GLU A 121 -2.200 -10.830 -13.612 1.00 71.02 H new ATOM 0 HG2 GLU A 121 -3.189 -11.594 -10.848 1.00 23.22 H new ATOM 0 HG3 GLU A 121 -2.120 -12.623 -11.781 1.00 23.22 H new ATOM 1962 N GLU A 122 -2.457 -8.141 -13.935 1.00 32.13 N ATOM 1963 CA GLU A 122 -1.608 -6.956 -14.133 1.00 44.12 C ATOM 1964 C GLU A 122 -2.220 -5.680 -13.513 1.00 21.12 C ATOM 1965 O GLU A 122 -1.563 -4.974 -12.741 1.00 71.43 O ATOM 1966 CB GLU A 122 -1.387 -6.755 -15.644 1.00 23.43 C ATOM 1967 CG GLU A 122 -0.684 -5.455 -16.038 1.00 14.55 C ATOM 1968 CD GLU A 122 0.790 -5.392 -15.661 1.00 63.33 C ATOM 1969 OE1 GLU A 122 1.371 -6.419 -15.257 1.00 5.20 O ATOM 1970 OE2 GLU A 122 1.384 -4.302 -15.804 1.00 42.21 O ATOM 0 H GLU A 122 -2.631 -8.666 -14.792 1.00 32.13 H new ATOM 0 HA GLU A 122 -0.660 -7.128 -13.624 1.00 44.12 H new ATOM 0 HB2 GLU A 122 -0.802 -7.593 -16.023 1.00 23.43 H new ATOM 0 HB3 GLU A 122 -2.355 -6.790 -16.143 1.00 23.43 H new ATOM 0 HG2 GLU A 122 -0.776 -5.320 -17.116 1.00 14.55 H new ATOM 0 HG3 GLU A 122 -1.202 -4.620 -15.567 1.00 14.55 H new ATOM 1977 N MET A 123 -3.478 -5.386 -13.853 1.00 24.44 N ATOM 1978 CA MET A 123 -4.138 -4.169 -13.364 1.00 44.12 C ATOM 1979 C MET A 123 -4.462 -4.256 -11.862 1.00 32.05 C ATOM 1980 O MET A 123 -4.301 -3.276 -11.136 1.00 24.11 O ATOM 1981 CB MET A 123 -5.417 -3.866 -14.167 1.00 72.23 C ATOM 1982 CG MET A 123 -6.519 -4.907 -14.012 1.00 22.30 C ATOM 1983 SD MET A 123 -8.062 -4.414 -14.815 1.00 32.32 S ATOM 1984 CE MET A 123 -8.435 -2.902 -13.923 1.00 73.41 C ATOM 0 H MET A 123 -4.057 -5.967 -14.459 1.00 24.44 H new ATOM 0 HA MET A 123 -3.434 -3.349 -13.509 1.00 44.12 H new ATOM 0 HB2 MET A 123 -5.805 -2.895 -13.857 1.00 72.23 H new ATOM 0 HB3 MET A 123 -5.158 -3.783 -15.222 1.00 72.23 H new ATOM 0 HG2 MET A 123 -6.181 -5.854 -14.434 1.00 22.30 H new ATOM 0 HG3 MET A 123 -6.705 -5.079 -12.952 1.00 22.30 H new ATOM 0 HE1 MET A 123 -9.506 -2.705 -13.973 1.00 73.41 H new ATOM 0 HE2 MET A 123 -8.134 -3.011 -12.881 1.00 73.41 H new ATOM 0 HE3 MET A 123 -7.892 -2.071 -14.372 1.00 73.41 H new ATOM 1994 N LEU A 124 -4.901 -5.431 -11.398 1.00 65.44 N ATOM 1995 CA LEU A 124 -5.289 -5.615 -9.991 1.00 34.33 C ATOM 1996 C LEU A 124 -4.095 -5.446 -9.039 1.00 63.43 C ATOM 1997 O LEU A 124 -4.210 -4.795 -7.998 1.00 62.44 O ATOM 1998 CB LEU A 124 -5.932 -6.996 -9.788 1.00 62.25 C ATOM 1999 CG LEU A 124 -7.282 -7.203 -10.498 1.00 14.32 C ATOM 2000 CD1 LEU A 124 -7.789 -8.628 -10.287 1.00 14.11 C ATOM 2001 CD2 LEU A 124 -8.310 -6.178 -10.016 1.00 53.11 C ATOM 0 H LEU A 124 -4.997 -6.268 -11.973 1.00 65.44 H new ATOM 0 HA LEU A 124 -6.017 -4.839 -9.752 1.00 34.33 H new ATOM 0 HB2 LEU A 124 -5.235 -7.758 -10.138 1.00 62.25 H new ATOM 0 HB3 LEU A 124 -6.073 -7.160 -8.720 1.00 62.25 H new ATOM 0 HG LEU A 124 -7.133 -7.053 -11.567 1.00 14.32 H new ATOM 0 HD11 LEU A 124 -8.744 -8.754 -10.797 1.00 14.11 H new ATOM 0 HD12 LEU A 124 -7.066 -9.335 -10.692 1.00 14.11 H new ATOM 0 HD13 LEU A 124 -7.920 -8.814 -9.221 1.00 14.11 H new ATOM 0 HD21 LEU A 124 -9.257 -6.342 -10.531 1.00 53.11 H new ATOM 0 HD22 LEU A 124 -8.457 -6.288 -8.942 1.00 53.11 H new ATOM 0 HD23 LEU A 124 -7.950 -5.172 -10.232 1.00 53.11 H new ATOM 2013 N TYR A 125 -2.953 -6.025 -9.406 1.00 1.33 N ATOM 2014 CA TYR A 125 -1.735 -5.929 -8.591 1.00 13.55 C ATOM 2015 C TYR A 125 -1.352 -4.466 -8.300 1.00 21.55 C ATOM 2016 O TYR A 125 -1.186 -4.070 -7.143 1.00 14.42 O ATOM 2017 CB TYR A 125 -0.576 -6.653 -9.293 1.00 3.13 C ATOM 2018 CG TYR A 125 0.778 -6.449 -8.626 1.00 1.40 C ATOM 2019 CD1 TYR A 125 1.016 -6.898 -7.332 1.00 3.21 C ATOM 2020 CD2 TYR A 125 1.812 -5.795 -9.291 1.00 11.20 C ATOM 2021 CE1 TYR A 125 2.243 -6.706 -6.724 1.00 54.32 C ATOM 2022 CE2 TYR A 125 3.039 -5.600 -8.688 1.00 72.21 C ATOM 2023 CZ TYR A 125 3.250 -6.056 -7.406 1.00 54.45 C ATOM 2024 OH TYR A 125 4.472 -5.852 -6.802 1.00 22.41 O ATOM 0 H TYR A 125 -2.842 -6.567 -10.263 1.00 1.33 H new ATOM 0 HA TYR A 125 -1.937 -6.410 -7.634 1.00 13.55 H new ATOM 0 HB2 TYR A 125 -0.795 -7.720 -9.327 1.00 3.13 H new ATOM 0 HB3 TYR A 125 -0.517 -6.307 -10.325 1.00 3.13 H new ATOM 0 HD1 TYR A 125 0.230 -7.405 -6.793 1.00 3.21 H new ATOM 0 HD2 TYR A 125 1.652 -5.434 -10.296 1.00 11.20 H new ATOM 0 HE1 TYR A 125 2.412 -7.064 -5.719 1.00 54.32 H new ATOM 0 HE2 TYR A 125 3.830 -5.092 -9.220 1.00 72.21 H new ATOM 0 HH TYR A 125 5.068 -5.381 -7.421 1.00 22.41 H new ATOM 2034 N LYS A 126 -1.224 -3.660 -9.351 1.00 43.30 N ATOM 2035 CA LYS A 126 -0.828 -2.256 -9.190 1.00 30.42 C ATOM 2036 C LYS A 126 -1.982 -1.381 -8.666 1.00 14.42 C ATOM 2037 O LYS A 126 -1.745 -0.390 -7.977 1.00 13.44 O ATOM 2038 CB LYS A 126 -0.267 -1.700 -10.506 1.00 74.12 C ATOM 2039 CG LYS A 126 -1.234 -1.766 -11.681 1.00 42.52 C ATOM 2040 CD LYS A 126 -0.543 -1.389 -12.991 1.00 72.11 C ATOM 2041 CE LYS A 126 0.559 -2.383 -13.349 1.00 33.10 C ATOM 2042 NZ LYS A 126 1.330 -1.955 -14.545 1.00 50.32 N ATOM 0 H LYS A 126 -1.386 -3.947 -10.316 1.00 43.30 H new ATOM 0 HA LYS A 126 -0.042 -2.224 -8.436 1.00 30.42 H new ATOM 0 HB2 LYS A 126 0.027 -0.662 -10.351 1.00 74.12 H new ATOM 0 HB3 LYS A 126 0.637 -2.252 -10.764 1.00 74.12 H new ATOM 0 HG2 LYS A 126 -1.645 -2.773 -11.761 1.00 42.52 H new ATOM 0 HG3 LYS A 126 -2.073 -1.093 -11.503 1.00 42.52 H new ATOM 0 HD2 LYS A 126 -1.279 -1.355 -13.795 1.00 72.11 H new ATOM 0 HD3 LYS A 126 -0.118 -0.389 -12.905 1.00 72.11 H new ATOM 0 HE2 LYS A 126 1.236 -2.494 -12.502 1.00 33.10 H new ATOM 0 HE3 LYS A 126 0.117 -3.362 -13.534 1.00 33.10 H new ATOM 0 HZ1 LYS A 126 1.535 -2.783 -15.141 1.00 50.32 H new ATOM 0 HZ2 LYS A 126 0.772 -1.266 -15.089 1.00 50.32 H new ATOM 0 HZ3 LYS A 126 2.223 -1.516 -14.243 1.00 50.32 H new ATOM 2056 N ASP A 127 -3.230 -1.752 -8.974 1.00 5.43 N ATOM 2057 CA ASP A 127 -4.402 -1.062 -8.410 1.00 32.32 C ATOM 2058 C ASP A 127 -4.465 -1.291 -6.890 1.00 62.42 C ATOM 2059 O ASP A 127 -4.960 -0.456 -6.132 1.00 13.51 O ATOM 2060 CB ASP A 127 -5.689 -1.564 -9.082 1.00 43.00 C ATOM 2061 CG ASP A 127 -6.932 -0.814 -8.623 1.00 21.43 C ATOM 2062 OD1 ASP A 127 -7.235 0.252 -9.198 1.00 52.43 O ATOM 2063 OD2 ASP A 127 -7.614 -1.290 -7.693 1.00 14.34 O ATOM 0 H ASP A 127 -3.457 -2.520 -9.606 1.00 5.43 H new ATOM 0 HA ASP A 127 -4.308 0.007 -8.600 1.00 32.32 H new ATOM 0 HB2 ASP A 127 -5.590 -1.465 -10.163 1.00 43.00 H new ATOM 0 HB3 ASP A 127 -5.813 -2.626 -8.869 1.00 43.00 H new ATOM 2068 N MET A 128 -3.951 -2.439 -6.461 1.00 44.43 N ATOM 2069 CA MET A 128 -3.863 -2.785 -5.042 1.00 64.14 C ATOM 2070 C MET A 128 -2.836 -1.892 -4.317 1.00 73.51 C ATOM 2071 O MET A 128 -3.135 -1.301 -3.278 1.00 52.53 O ATOM 2072 CB MET A 128 -3.490 -4.267 -4.915 1.00 73.13 C ATOM 2073 CG MET A 128 -3.515 -4.807 -3.497 1.00 55.40 C ATOM 2074 SD MET A 128 -3.280 -6.595 -3.452 1.00 42.34 S ATOM 2075 CE MET A 128 -1.669 -6.752 -4.220 1.00 15.53 C ATOM 0 H MET A 128 -3.583 -3.157 -7.085 1.00 44.43 H new ATOM 0 HA MET A 128 -4.829 -2.613 -4.568 1.00 64.14 H new ATOM 0 HB2 MET A 128 -4.176 -4.854 -5.525 1.00 73.13 H new ATOM 0 HB3 MET A 128 -2.492 -4.413 -5.328 1.00 73.13 H new ATOM 0 HG2 MET A 128 -2.733 -4.324 -2.911 1.00 55.40 H new ATOM 0 HG3 MET A 128 -4.467 -4.554 -3.029 1.00 55.40 H new ATOM 0 HE1 MET A 128 -1.293 -7.765 -4.074 1.00 15.53 H new ATOM 0 HE2 MET A 128 -1.753 -6.546 -5.287 1.00 15.53 H new ATOM 0 HE3 MET A 128 -0.979 -6.040 -3.767 1.00 15.53 H new ATOM 2085 N GLN A 129 -1.632 -1.792 -4.882 1.00 70.24 N ATOM 2086 CA GLN A 129 -0.595 -0.885 -4.361 1.00 2.34 C ATOM 2087 C GLN A 129 -1.070 0.580 -4.398 1.00 21.10 C ATOM 2088 O GLN A 129 -0.917 1.324 -3.427 1.00 31.13 O ATOM 2089 CB GLN A 129 0.701 -1.043 -5.179 1.00 63.13 C ATOM 2090 CG GLN A 129 1.790 -0.019 -4.847 1.00 60.41 C ATOM 2091 CD GLN A 129 2.275 -0.092 -3.409 1.00 24.52 C ATOM 2092 OE1 GLN A 129 2.690 1.038 -2.867 1.00 3.33 O flip ATOM 2093 NE2 GLN A 129 2.281 -1.148 -2.788 1.00 72.04 N flip ATOM 0 H GLN A 129 -1.346 -2.327 -5.702 1.00 70.24 H new ATOM 0 HA GLN A 129 -0.399 -1.151 -3.322 1.00 2.34 H new ATOM 0 HB2 GLN A 129 1.099 -2.044 -5.015 1.00 63.13 H new ATOM 0 HB3 GLN A 129 0.458 -0.966 -6.239 1.00 63.13 H new ATOM 0 HG2 GLN A 129 2.637 -0.172 -5.516 1.00 60.41 H new ATOM 0 HG3 GLN A 129 1.407 0.983 -5.042 1.00 60.41 H new ATOM 0 HE21 GLN A 129 1.954 -2.004 -3.235 1.00 72.04 H new ATOM 0 HE22 GLN A 129 2.613 -1.171 -1.824 1.00 72.04 H new ATOM 2102 N LYS A 130 -1.651 0.975 -5.529 1.00 55.11 N ATOM 2103 CA LYS A 130 -2.182 2.331 -5.719 1.00 44.41 C ATOM 2104 C LYS A 130 -3.228 2.683 -4.648 1.00 10.21 C ATOM 2105 O LYS A 130 -3.198 3.767 -4.068 1.00 15.34 O ATOM 2106 CB LYS A 130 -2.807 2.441 -7.114 1.00 24.35 C ATOM 2107 CG LYS A 130 -3.429 3.801 -7.422 1.00 34.34 C ATOM 2108 CD LYS A 130 -4.187 3.786 -8.747 1.00 32.12 C ATOM 2109 CE LYS A 130 -5.316 2.760 -8.732 1.00 65.04 C ATOM 2110 NZ LYS A 130 -6.035 2.693 -10.031 1.00 31.43 N ATOM 0 H LYS A 130 -1.769 0.368 -6.340 1.00 55.11 H new ATOM 0 HA LYS A 130 -1.358 3.038 -5.623 1.00 44.41 H new ATOM 0 HB2 LYS A 130 -2.041 2.228 -7.860 1.00 24.35 H new ATOM 0 HB3 LYS A 130 -3.574 1.673 -7.217 1.00 24.35 H new ATOM 0 HG2 LYS A 130 -4.108 4.082 -6.617 1.00 34.34 H new ATOM 0 HG3 LYS A 130 -2.647 4.559 -7.458 1.00 34.34 H new ATOM 0 HD2 LYS A 130 -4.596 4.777 -8.945 1.00 32.12 H new ATOM 0 HD3 LYS A 130 -3.497 3.558 -9.560 1.00 32.12 H new ATOM 0 HE2 LYS A 130 -4.908 1.778 -8.494 1.00 65.04 H new ATOM 0 HE3 LYS A 130 -6.022 3.012 -7.941 1.00 65.04 H new ATOM 0 HZ1 LYS A 130 -6.624 1.836 -10.058 1.00 31.43 H new ATOM 0 HZ2 LYS A 130 -6.640 3.533 -10.137 1.00 31.43 H new ATOM 0 HZ3 LYS A 130 -5.345 2.663 -10.809 1.00 31.43 H new ATOM 2124 N ASP A 131 -4.156 1.761 -4.400 1.00 40.40 N ATOM 2125 CA ASP A 131 -5.183 1.959 -3.375 1.00 4.44 C ATOM 2126 C ASP A 131 -4.531 2.081 -1.983 1.00 61.00 C ATOM 2127 O ASP A 131 -4.800 3.025 -1.239 1.00 5.00 O ATOM 2128 CB ASP A 131 -6.182 0.789 -3.406 1.00 30.00 C ATOM 2129 CG ASP A 131 -7.535 1.139 -2.801 1.00 62.31 C ATOM 2130 OD1 ASP A 131 -7.667 1.140 -1.558 1.00 51.11 O ATOM 2131 OD2 ASP A 131 -8.481 1.408 -3.577 1.00 2.24 O ATOM 0 H ASP A 131 -4.219 0.870 -4.893 1.00 40.40 H new ATOM 0 HA ASP A 131 -5.721 2.884 -3.582 1.00 4.44 H new ATOM 0 HB2 ASP A 131 -6.325 0.469 -4.438 1.00 30.00 H new ATOM 0 HB3 ASP A 131 -5.758 -0.057 -2.866 1.00 30.00 H new ATOM 2136 N ALA A 132 -3.640 1.135 -1.668 1.00 31.55 N ATOM 2137 CA ALA A 132 -2.960 1.085 -0.365 1.00 43.24 C ATOM 2138 C ALA A 132 -2.239 2.400 -0.022 1.00 4.22 C ATOM 2139 O ALA A 132 -2.410 2.939 1.071 1.00 74.42 O ATOM 2140 CB ALA A 132 -1.974 -0.080 -0.338 1.00 44.32 C ATOM 0 H ALA A 132 -3.369 0.385 -2.304 1.00 31.55 H new ATOM 0 HA ALA A 132 -3.728 0.937 0.395 1.00 43.24 H new ATOM 0 HB1 ALA A 132 -1.474 -0.111 0.630 1.00 44.32 H new ATOM 0 HB2 ALA A 132 -2.511 -1.015 -0.499 1.00 44.32 H new ATOM 0 HB3 ALA A 132 -1.232 0.053 -1.126 1.00 44.32 H new ATOM 2146 N VAL A 133 -1.436 2.916 -0.953 1.00 2.44 N ATOM 2147 CA VAL A 133 -0.681 4.152 -0.709 1.00 44.00 C ATOM 2148 C VAL A 133 -1.614 5.354 -0.458 1.00 51.23 C ATOM 2149 O VAL A 133 -1.313 6.225 0.363 1.00 55.30 O ATOM 2150 CB VAL A 133 0.295 4.470 -1.874 1.00 63.01 C ATOM 2151 CG1 VAL A 133 -0.457 4.703 -3.184 1.00 64.33 C ATOM 2152 CG2 VAL A 133 1.175 5.669 -1.525 1.00 72.40 C ATOM 0 H VAL A 133 -1.290 2.505 -1.875 1.00 2.44 H new ATOM 0 HA VAL A 133 -0.094 3.981 0.193 1.00 44.00 H new ATOM 0 HB VAL A 133 0.940 3.603 -2.018 1.00 63.01 H new ATOM 0 HG11 VAL A 133 0.256 4.923 -3.979 1.00 64.33 H new ATOM 0 HG12 VAL A 133 -1.024 3.808 -3.442 1.00 64.33 H new ATOM 0 HG13 VAL A 133 -1.140 5.544 -3.067 1.00 64.33 H new ATOM 0 HG21 VAL A 133 1.852 5.877 -2.353 1.00 72.40 H new ATOM 0 HG22 VAL A 133 0.547 6.541 -1.343 1.00 72.40 H new ATOM 0 HG23 VAL A 133 1.755 5.446 -0.629 1.00 72.40 H new ATOM 2162 N GLN A 134 -2.753 5.388 -1.154 1.00 54.22 N ATOM 2163 CA GLN A 134 -3.756 6.442 -0.944 1.00 23.20 C ATOM 2164 C GLN A 134 -4.429 6.300 0.432 1.00 10.21 C ATOM 2165 O GLN A 134 -4.777 7.295 1.070 1.00 71.03 O ATOM 2166 CB GLN A 134 -4.809 6.419 -2.066 1.00 51.23 C ATOM 2167 CG GLN A 134 -4.268 6.865 -3.424 1.00 3.12 C ATOM 2168 CD GLN A 134 -3.850 8.329 -3.442 1.00 22.14 C ATOM 2169 OE1 GLN A 134 -4.421 9.165 -2.744 1.00 75.01 O ATOM 2170 NE2 GLN A 134 -2.853 8.657 -4.237 1.00 54.32 N ATOM 0 H GLN A 134 -3.006 4.702 -1.866 1.00 54.22 H new ATOM 0 HA GLN A 134 -3.243 7.404 -0.970 1.00 23.20 H new ATOM 0 HB2 GLN A 134 -5.208 5.409 -2.157 1.00 51.23 H new ATOM 0 HB3 GLN A 134 -5.640 7.066 -1.786 1.00 51.23 H new ATOM 0 HG2 GLN A 134 -3.412 6.245 -3.690 1.00 3.12 H new ATOM 0 HG3 GLN A 134 -5.030 6.700 -4.185 1.00 3.12 H new ATOM 0 HE21 GLN A 134 -2.397 7.943 -4.805 1.00 54.32 H new ATOM 0 HE22 GLN A 134 -2.536 9.625 -4.285 1.00 54.32 H new ATOM 2179 N GLN A 135 -4.603 5.058 0.883 1.00 64.33 N ATOM 2180 CA GLN A 135 -5.121 4.780 2.228 1.00 35.20 C ATOM 2181 C GLN A 135 -4.159 5.323 3.298 1.00 30.14 C ATOM 2182 O GLN A 135 -4.581 5.924 4.288 1.00 41.42 O ATOM 2183 CB GLN A 135 -5.320 3.265 2.414 1.00 2.14 C ATOM 2184 CG GLN A 135 -6.235 2.630 1.368 1.00 11.45 C ATOM 2185 CD GLN A 135 -7.710 2.924 1.582 1.00 22.31 C ATOM 2186 OE1 GLN A 135 -8.086 3.929 2.178 1.00 44.12 O ATOM 2187 NE2 GLN A 135 -8.559 2.071 1.051 1.00 4.21 N ATOM 0 H GLN A 135 -4.393 4.223 0.336 1.00 64.33 H new ATOM 0 HA GLN A 135 -6.083 5.280 2.341 1.00 35.20 H new ATOM 0 HB2 GLN A 135 -4.348 2.773 2.379 1.00 2.14 H new ATOM 0 HB3 GLN A 135 -5.735 3.081 3.405 1.00 2.14 H new ATOM 0 HG2 GLN A 135 -5.943 2.986 0.380 1.00 11.45 H new ATOM 0 HG3 GLN A 135 -6.085 1.550 1.375 1.00 11.45 H new ATOM 0 HE21 GLN A 135 -8.214 1.245 0.562 1.00 4.21 H new ATOM 0 HE22 GLN A 135 -9.563 2.235 1.128 1.00 4.21 H new ATOM 2196 N ILE A 136 -2.858 5.109 3.079 1.00 74.31 N ATOM 2197 CA ILE A 136 -1.819 5.669 3.951 1.00 73.21 C ATOM 2198 C ILE A 136 -1.908 7.202 3.977 1.00 44.25 C ATOM 2199 O ILE A 136 -2.089 7.809 5.034 1.00 44.34 O ATOM 2200 CB ILE A 136 -0.395 5.253 3.486 1.00 52.14 C ATOM 2201 CG1 ILE A 136 -0.260 3.722 3.433 1.00 55.12 C ATOM 2202 CG2 ILE A 136 0.667 5.850 4.409 1.00 51.31 C ATOM 2203 CD1 ILE A 136 1.082 3.238 2.916 1.00 12.53 C ATOM 0 H ILE A 136 -2.498 4.551 2.304 1.00 74.31 H new ATOM 0 HA ILE A 136 -1.990 5.271 4.951 1.00 73.21 H new ATOM 0 HB ILE A 136 -0.241 5.644 2.480 1.00 52.14 H new ATOM 0 HG12 ILE A 136 -0.419 3.319 4.433 1.00 55.12 H new ATOM 0 HG13 ILE A 136 -1.049 3.320 2.798 1.00 55.12 H new ATOM 0 HG21 ILE A 136 1.657 5.548 4.068 1.00 51.31 H new ATOM 0 HG22 ILE A 136 0.594 6.937 4.393 1.00 51.31 H new ATOM 0 HG23 ILE A 136 0.509 5.491 5.426 1.00 51.31 H new ATOM 0 HD11 ILE A 136 1.098 2.148 2.909 1.00 12.53 H new ATOM 0 HD12 ILE A 136 1.237 3.609 1.903 1.00 12.53 H new ATOM 0 HD13 ILE A 136 1.877 3.608 3.564 1.00 12.53 H new ATOM 2215 N LEU A 137 -1.797 7.814 2.796 1.00 71.15 N ATOM 2216 CA LEU A 137 -1.902 9.274 2.647 1.00 20.14 C ATOM 2217 C LEU A 137 -3.173 9.826 3.315 1.00 74.23 C ATOM 2218 O LEU A 137 -3.137 10.864 3.985 1.00 54.03 O ATOM 2219 CB LEU A 137 -1.891 9.651 1.155 1.00 43.42 C ATOM 2220 CG LEU A 137 -2.163 11.136 0.844 1.00 64.14 C ATOM 2221 CD1 LEU A 137 -1.090 12.028 1.467 1.00 11.11 C ATOM 2222 CD2 LEU A 137 -2.254 11.367 -0.666 1.00 33.13 C ATOM 0 H LEU A 137 -1.633 7.319 1.919 1.00 71.15 H new ATOM 0 HA LEU A 137 -1.042 9.721 3.146 1.00 20.14 H new ATOM 0 HB2 LEU A 137 -0.921 9.382 0.737 1.00 43.42 H new ATOM 0 HB3 LEU A 137 -2.638 9.047 0.640 1.00 43.42 H new ATOM 0 HG LEU A 137 -3.123 11.404 1.286 1.00 64.14 H new ATOM 0 HD11 LEU A 137 -1.304 13.071 1.234 1.00 11.11 H new ATOM 0 HD12 LEU A 137 -1.086 11.891 2.548 1.00 11.11 H new ATOM 0 HD13 LEU A 137 -0.114 11.759 1.064 1.00 11.11 H new ATOM 0 HD21 LEU A 137 -2.446 12.422 -0.862 1.00 33.13 H new ATOM 0 HD22 LEU A 137 -1.314 11.076 -1.136 1.00 33.13 H new ATOM 0 HD23 LEU A 137 -3.066 10.768 -1.077 1.00 33.13 H new ATOM 2234 N ARG A 138 -4.287 9.125 3.126 1.00 31.44 N ATOM 2235 CA ARG A 138 -5.576 9.520 3.708 1.00 20.23 C ATOM 2236 C ARG A 138 -5.465 9.763 5.225 1.00 11.20 C ATOM 2237 O ARG A 138 -6.050 10.707 5.758 1.00 43.11 O ATOM 2238 CB ARG A 138 -6.628 8.434 3.436 1.00 70.43 C ATOM 2239 CG ARG A 138 -8.056 8.843 3.798 1.00 72.22 C ATOM 2240 CD ARG A 138 -8.626 9.862 2.814 1.00 35.51 C ATOM 2241 NE ARG A 138 -8.849 9.282 1.489 1.00 50.33 N ATOM 2242 CZ ARG A 138 -8.192 9.614 0.410 1.00 3.11 C ATOM 2243 NH1 ARG A 138 -7.238 10.486 0.457 1.00 4.33 N ATOM 2244 NH2 ARG A 138 -8.488 9.065 -0.720 1.00 22.34 N ATOM 0 H ARG A 138 -4.327 8.271 2.569 1.00 31.44 H new ATOM 0 HA ARG A 138 -5.879 10.455 3.238 1.00 20.23 H new ATOM 0 HB2 ARG A 138 -6.595 8.168 2.380 1.00 70.43 H new ATOM 0 HB3 ARG A 138 -6.364 7.539 3.999 1.00 70.43 H new ATOM 0 HG2 ARG A 138 -8.693 7.959 3.814 1.00 72.22 H new ATOM 0 HG3 ARG A 138 -8.069 9.264 4.804 1.00 72.22 H new ATOM 0 HD2 ARG A 138 -9.567 10.252 3.201 1.00 35.51 H new ATOM 0 HD3 ARG A 138 -7.941 10.706 2.729 1.00 35.51 H new ATOM 0 HE ARG A 138 -9.570 8.566 1.402 1.00 50.33 H new ATOM 0 HH11 ARG A 138 -6.990 10.924 1.344 1.00 4.33 H new ATOM 0 HH12 ARG A 138 -6.733 10.736 -0.393 1.00 4.33 H new ATOM 0 HH21 ARG A 138 -9.235 8.372 -0.770 1.00 22.34 H new ATOM 0 HH22 ARG A 138 -7.975 9.324 -1.563 1.00 22.34 H new ATOM 2258 N GLN A 139 -4.709 8.905 5.911 1.00 3.31 N ATOM 2259 CA GLN A 139 -4.527 9.020 7.363 1.00 12.53 C ATOM 2260 C GLN A 139 -3.387 9.993 7.713 1.00 12.11 C ATOM 2261 O GLN A 139 -3.529 10.838 8.596 1.00 25.02 O ATOM 2262 CB GLN A 139 -4.242 7.636 7.969 1.00 33.15 C ATOM 2263 CG GLN A 139 -4.197 7.620 9.497 1.00 1.11 C ATOM 2264 CD GLN A 139 -5.540 7.941 10.148 1.00 3.51 C ATOM 2265 OE1 GLN A 139 -5.601 8.509 11.229 1.00 63.44 O ATOM 2266 NE2 GLN A 139 -6.630 7.558 9.505 1.00 3.21 N ATOM 0 H GLN A 139 -4.212 8.122 5.487 1.00 3.31 H new ATOM 0 HA GLN A 139 -5.449 9.418 7.786 1.00 12.53 H new ATOM 0 HB2 GLN A 139 -5.009 6.939 7.632 1.00 33.15 H new ATOM 0 HB3 GLN A 139 -3.289 7.272 7.584 1.00 33.15 H new ATOM 0 HG2 GLN A 139 -3.865 6.638 9.833 1.00 1.11 H new ATOM 0 HG3 GLN A 139 -3.455 8.341 9.839 1.00 1.11 H new ATOM 0 HE21 GLN A 139 -6.551 7.086 8.604 1.00 3.21 H new ATOM 0 HE22 GLN A 139 -7.549 7.735 9.910 1.00 3.21 H new ATOM 2275 N VAL A 140 -2.261 9.878 7.007 1.00 25.43 N ATOM 2276 CA VAL A 140 -1.080 10.721 7.264 1.00 65.24 C ATOM 2277 C VAL A 140 -1.407 12.230 7.193 1.00 11.42 C ATOM 2278 O VAL A 140 -0.814 13.038 7.908 1.00 20.13 O ATOM 2279 CB VAL A 140 0.068 10.389 6.269 1.00 13.41 C ATOM 2280 CG1 VAL A 140 1.279 11.304 6.483 1.00 62.51 C ATOM 2281 CG2 VAL A 140 0.477 8.921 6.400 1.00 2.31 C ATOM 0 H VAL A 140 -2.137 9.208 6.248 1.00 25.43 H new ATOM 0 HA VAL A 140 -0.755 10.496 8.280 1.00 65.24 H new ATOM 0 HB VAL A 140 -0.304 10.563 5.260 1.00 13.41 H new ATOM 0 HG11 VAL A 140 2.062 11.044 5.771 1.00 62.51 H new ATOM 0 HG12 VAL A 140 0.982 12.342 6.333 1.00 62.51 H new ATOM 0 HG13 VAL A 140 1.655 11.178 7.498 1.00 62.51 H new ATOM 0 HG21 VAL A 140 1.281 8.703 5.697 1.00 2.31 H new ATOM 0 HG22 VAL A 140 0.821 8.728 7.416 1.00 2.31 H new ATOM 0 HG23 VAL A 140 -0.379 8.284 6.180 1.00 2.31 H new ATOM 2291 N SER A 141 -2.364 12.602 6.346 1.00 73.35 N ATOM 2292 CA SER A 141 -2.743 14.017 6.182 1.00 21.24 C ATOM 2293 C SER A 141 -3.961 14.404 7.041 1.00 5.21 C ATOM 2294 O SER A 141 -4.544 15.473 6.846 1.00 43.20 O ATOM 2295 CB SER A 141 -3.035 14.322 4.701 1.00 40.11 C ATOM 2296 OG SER A 141 -4.092 13.513 4.198 1.00 64.30 O ATOM 0 H SER A 141 -2.893 11.953 5.763 1.00 73.35 H new ATOM 0 HA SER A 141 -1.897 14.614 6.524 1.00 21.24 H new ATOM 0 HB2 SER A 141 -3.297 15.374 4.590 1.00 40.11 H new ATOM 0 HB3 SER A 141 -2.135 14.154 4.110 1.00 40.11 H new ATOM 0 HG SER A 141 -3.774 12.593 4.084 1.00 64.30 H new ATOM 2302 N ALA A 142 -4.342 13.551 7.999 1.00 54.35 N ATOM 2303 CA ALA A 142 -5.510 13.839 8.852 1.00 12.41 C ATOM 2304 C ALA A 142 -5.458 13.158 10.240 1.00 62.03 C ATOM 2305 O ALA A 142 -6.356 13.365 11.052 1.00 14.53 O ATOM 2306 CB ALA A 142 -6.789 13.434 8.126 1.00 52.53 C ATOM 0 H ALA A 142 -3.871 12.670 8.204 1.00 54.35 H new ATOM 0 HA ALA A 142 -5.495 14.913 9.039 1.00 12.41 H new ATOM 0 HB1 ALA A 142 -7.650 13.648 8.759 1.00 52.53 H new ATOM 0 HB2 ALA A 142 -6.873 13.997 7.196 1.00 52.53 H new ATOM 0 HB3 ALA A 142 -6.759 12.367 7.903 1.00 52.53 H new ATOM 2312 N PHE A 143 -4.411 12.379 10.522 1.00 61.23 N ATOM 2313 CA PHE A 143 -4.337 11.588 11.769 1.00 32.13 C ATOM 2314 C PHE A 143 -4.508 12.453 13.034 1.00 54.35 C ATOM 2315 O PHE A 143 -5.091 12.011 14.026 1.00 55.41 O ATOM 2316 CB PHE A 143 -3.011 10.807 11.841 1.00 41.04 C ATOM 2317 CG PHE A 143 -1.776 11.669 11.994 1.00 21.33 C ATOM 2318 CD1 PHE A 143 -1.198 12.283 10.892 1.00 41.14 C ATOM 2319 CD2 PHE A 143 -1.190 11.857 13.241 1.00 14.34 C ATOM 2320 CE1 PHE A 143 -0.067 13.064 11.028 1.00 4.53 C ATOM 2321 CE2 PHE A 143 -0.058 12.639 13.380 1.00 3.44 C ATOM 2322 CZ PHE A 143 0.504 13.243 12.272 1.00 74.02 C ATOM 0 H PHE A 143 -3.601 12.274 9.911 1.00 61.23 H new ATOM 0 HA PHE A 143 -5.171 10.886 11.741 1.00 32.13 H new ATOM 0 HB2 PHE A 143 -3.059 10.113 12.680 1.00 41.04 H new ATOM 0 HB3 PHE A 143 -2.909 10.207 10.937 1.00 41.04 H new ATOM 0 HD1 PHE A 143 -1.638 12.148 9.915 1.00 41.14 H new ATOM 0 HD2 PHE A 143 -1.624 11.387 14.111 1.00 14.34 H new ATOM 0 HE1 PHE A 143 0.371 13.535 10.160 1.00 4.53 H new ATOM 0 HE2 PHE A 143 0.387 12.777 14.354 1.00 3.44 H new ATOM 0 HZ PHE A 143 1.388 13.854 12.379 1.00 74.02 H new ATOM 2332 N THR A 144 -3.993 13.682 12.999 1.00 72.54 N ATOM 2333 CA THR A 144 -4.119 14.605 14.140 1.00 72.00 C ATOM 2334 C THR A 144 -5.546 15.158 14.271 1.00 51.14 C ATOM 2335 O THR A 144 -5.989 15.510 15.366 1.00 52.44 O ATOM 2336 CB THR A 144 -3.130 15.793 14.039 1.00 2.23 C ATOM 2337 OG1 THR A 144 -3.301 16.676 15.159 1.00 62.04 O ATOM 2338 CG2 THR A 144 -3.322 16.571 12.737 1.00 75.52 C ATOM 0 H THR A 144 -3.487 14.065 12.201 1.00 72.54 H new ATOM 0 HA THR A 144 -3.878 14.018 15.026 1.00 72.00 H new ATOM 0 HB THR A 144 -2.119 15.385 14.047 1.00 2.23 H new ATOM 0 HG1 THR A 144 -2.670 17.423 15.086 1.00 62.04 H new ATOM 0 HG21 THR A 144 -2.612 17.397 12.699 1.00 75.52 H new ATOM 0 HG22 THR A 144 -3.153 15.908 11.889 1.00 75.52 H new ATOM 0 HG23 THR A 144 -4.338 16.963 12.694 1.00 75.52 H new