USER MOD reduce.3.24.130724 H: found=0, std=0, add=983, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 859 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 52 THR OG1 : rot 143:sc= 0.0149 USER MOD Set 1.2: A 132 SER OG : rot 180:sc= -0.68 USER MOD Set 2.1: A 98 THR OG1 : rot 180:sc= -0.0196 USER MOD Set 2.2: A 129 HIS : no HD1:sc= -2.34 X(o=-2.4,f=-1.9!) USER MOD Set 3.1: A 80 SER OG : rot 180:sc= -0.0716 USER MOD Set 3.2: A 81 GLN : amide:sc= -0.13 K(o=-0.2,f=1.3) USER MOD Set 4.1: A 55 TYR OH : rot 180:sc= 0 USER MOD Set 4.2: A 68 THR OG1 : rot 122:sc= 1.85 USER MOD Set 5.1: A 47 LYS NZ :NH3+ -133:sc= -5.43! (180deg=-5.26!) USER MOD Set 5.2: A 91 GLN : amide:sc= -1.53 K(o=-7,f=-9.3) USER MOD Single : A 8 ASN : amide:sc= -7.42! C(o=-7.4!,f=-10!) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -164:sc= -0.0805 (180deg=-0.676) USER MOD Single : A 17 THR OG1 : rot 105:sc= 0.705 USER MOD Single : A 19 ASN : amide:sc= -11.8! C(o=-12!,f=-13!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= 1.13 K(o=1.1,f=-0.46) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -2.14 K(o=-2.1,f=-3.6!) USER MOD Single : A 34 TYR OH : rot 180:sc= -0.14 USER MOD Single : A 35 LYS NZ :NH3+ 143:sc= -0.307 (180deg=-1.3!) USER MOD Single : A 38 ASN : amide:sc= -3.34 K(o=-3.3,f=-0.6) USER MOD Single : A 39 SER OG : rot -10:sc= 0.53! USER MOD Single : A 41 ASN : amide:sc= -4.72! K(o=-4.7!,f=-0.9) USER MOD Single : A 44 LYS NZ :NH3+ 171:sc= -2.95! (180deg=-3.18!) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 180:sc= -0.714 USER MOD Single : A 56 THR OG1 : rot 155:sc= -0.868 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot -58:sc= 0.591 USER MOD Single : A 73 LYS NZ :NH3+ -166:sc= -0.345 (180deg=-1) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= -1.67! K(o=-1.7!,f=-0.0042) USER MOD Single : A 87 THR OG1 : rot 28:sc= -0.386 USER MOD Single : A 93 MET CE :methyl -149:sc= -6.13! (180deg=-8.91!) USER MOD Single : A 97 SER OG : rot -82:sc= 0.966 USER MOD Single : A 102 TYR OH : rot -50:sc= 0.0225 USER MOD Single : A 105 SER OG : rot 180:sc=-0.000538 USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 140:sc= -4.8! USER MOD Single : A 121 ASN : amide:sc= -2.55! K(o=-2.5!,f=-1.2) USER MOD Single : A 123 THR OG1 : rot 160:sc= 0 USER MOD Single : A 127 LYS NZ :NH3+ 137:sc= -0.438 (180deg=-3.91!) USER MOD Single : A 134 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0551) USER MOD ----------------------------------------------------------------- ATOM 103 N GLU A 7 98.677 20.963 10.017 1.00 1.00 N ATOM 104 CA GLU A 7 98.153 19.778 10.693 1.00 1.00 C ATOM 105 C GLU A 7 98.738 18.515 10.098 1.00 1.00 C ATOM 106 O GLU A 7 99.247 17.649 10.801 1.00 1.00 O ATOM 107 CB GLU A 7 96.643 19.727 10.561 1.00 1.00 C ATOM 108 CG GLU A 7 96.052 21.097 10.849 1.00 1.00 C ATOM 109 CD GLU A 7 94.529 21.015 10.850 1.00 1.00 C ATOM 110 OE1 GLU A 7 94.015 19.924 10.671 1.00 1.00 O ATOM 111 OE2 GLU A 7 93.899 22.043 11.034 1.00 1.00 O ATOM 0 HA GLU A 7 98.433 19.842 11.745 1.00 1.00 H new ATOM 0 HB2 GLU A 7 96.368 19.407 9.556 1.00 1.00 H new ATOM 0 HB3 GLU A 7 96.233 18.992 11.254 1.00 1.00 H new ATOM 0 HG2 GLU A 7 96.406 21.460 11.814 1.00 1.00 H new ATOM 0 HG3 GLU A 7 96.386 21.812 10.097 1.00 1.00 H new ATOM 118 N ASN A 8 98.670 18.434 8.795 1.00 1.00 N ATOM 119 CA ASN A 8 99.198 17.285 8.087 1.00 1.00 C ATOM 120 C ASN A 8 100.676 17.198 8.383 1.00 1.00 C ATOM 121 O ASN A 8 101.254 16.119 8.513 1.00 1.00 O ATOM 122 CB ASN A 8 98.977 17.491 6.602 1.00 1.00 C ATOM 123 CG ASN A 8 97.523 17.850 6.364 1.00 1.00 C ATOM 124 OD1 ASN A 8 96.681 17.685 7.246 1.00 1.00 O ATOM 125 ND2 ASN A 8 97.184 18.335 5.216 1.00 1.00 N ATOM 0 H ASN A 8 98.255 19.148 8.197 1.00 1.00 H new ATOM 0 HA ASN A 8 98.703 16.365 8.399 1.00 1.00 H new ATOM 0 HB2 ASN A 8 99.626 18.284 6.231 1.00 1.00 H new ATOM 0 HB3 ASN A 8 99.236 16.585 6.054 1.00 1.00 H new ATOM 0 HD21 ASN A 8 96.212 18.585 5.035 1.00 1.00 H new ATOM 0 HD22 ASN A 8 97.889 18.468 4.491 1.00 1.00 H new ATOM 132 N LYS A 9 101.264 18.372 8.492 1.00 1.00 N ATOM 133 CA LYS A 9 102.681 18.507 8.784 1.00 1.00 C ATOM 134 C LYS A 9 103.014 17.999 10.191 1.00 1.00 C ATOM 135 O LYS A 9 103.923 17.194 10.361 1.00 1.00 O ATOM 136 CB LYS A 9 103.035 20.000 8.631 1.00 1.00 C ATOM 137 CG LYS A 9 104.209 20.431 9.512 1.00 1.00 C ATOM 138 CD LYS A 9 104.573 21.887 9.215 1.00 1.00 C ATOM 139 CE LYS A 9 105.787 22.286 10.055 1.00 1.00 C ATOM 140 NZ LYS A 9 106.146 23.705 9.772 1.00 1.00 N ATOM 0 H LYS A 9 100.775 19.260 8.381 1.00 1.00 H new ATOM 0 HA LYS A 9 103.270 17.901 8.095 1.00 1.00 H new ATOM 0 HB2 LYS A 9 103.277 20.205 7.588 1.00 1.00 H new ATOM 0 HB3 LYS A 9 102.161 20.602 8.880 1.00 1.00 H new ATOM 0 HG2 LYS A 9 103.946 20.320 10.564 1.00 1.00 H new ATOM 0 HG3 LYS A 9 105.069 19.787 9.328 1.00 1.00 H new ATOM 0 HD2 LYS A 9 104.794 22.010 8.155 1.00 1.00 H new ATOM 0 HD3 LYS A 9 103.729 22.538 9.442 1.00 1.00 H new ATOM 0 HE2 LYS A 9 105.566 22.161 11.115 1.00 1.00 H new ATOM 0 HE3 LYS A 9 106.630 21.634 9.826 1.00 1.00 H new ATOM 0 HZ1 LYS A 9 106.972 23.975 10.344 1.00 1.00 H new ATOM 0 HZ2 LYS A 9 106.374 23.811 8.763 1.00 1.00 H new ATOM 0 HZ3 LYS A 9 105.343 24.321 10.012 1.00 1.00 H new ATOM 154 N VAL A 10 102.285 18.473 11.197 1.00 1.00 N ATOM 155 CA VAL A 10 102.558 18.053 12.567 1.00 1.00 C ATOM 156 C VAL A 10 102.228 16.586 12.781 1.00 1.00 C ATOM 157 O VAL A 10 103.036 15.837 13.327 1.00 1.00 O ATOM 158 CB VAL A 10 101.776 18.923 13.556 1.00 1.00 C ATOM 159 CG1 VAL A 10 101.894 18.343 14.955 1.00 1.00 C ATOM 160 CG2 VAL A 10 102.339 20.346 13.541 1.00 1.00 C ATOM 0 H VAL A 10 101.516 19.135 11.094 1.00 1.00 H new ATOM 0 HA VAL A 10 103.626 18.181 12.745 1.00 1.00 H new ATOM 0 HB VAL A 10 100.726 18.945 13.264 1.00 1.00 H new ATOM 0 HG11 VAL A 10 101.336 18.965 15.655 1.00 1.00 H new ATOM 0 HG12 VAL A 10 101.488 17.332 14.965 1.00 1.00 H new ATOM 0 HG13 VAL A 10 102.943 18.316 15.250 1.00 1.00 H new ATOM 0 HG21 VAL A 10 101.782 20.965 14.245 1.00 1.00 H new ATOM 0 HG22 VAL A 10 103.390 20.325 13.829 1.00 1.00 H new ATOM 0 HG23 VAL A 10 102.246 20.764 12.538 1.00 1.00 H new ATOM 164 N LYS A 11 101.055 16.174 12.341 1.00 1.00 N ATOM 165 CA LYS A 11 100.674 14.794 12.488 1.00 1.00 C ATOM 166 C LYS A 11 101.650 13.964 11.687 1.00 1.00 C ATOM 167 O LYS A 11 102.068 12.893 12.110 1.00 1.00 O ATOM 168 CB LYS A 11 99.247 14.564 11.999 1.00 1.00 C ATOM 169 CG LYS A 11 98.218 15.033 13.048 1.00 1.00 C ATOM 170 CD LYS A 11 98.036 16.551 12.989 1.00 1.00 C ATOM 171 CE LYS A 11 97.264 17.025 14.225 1.00 1.00 C ATOM 172 NZ LYS A 11 96.238 16.008 14.600 1.00 1.00 N ATOM 0 H LYS A 11 100.363 16.769 11.886 1.00 1.00 H new ATOM 0 HA LYS A 11 100.701 14.508 13.540 1.00 1.00 H new ATOM 0 HB2 LYS A 11 99.089 15.102 11.064 1.00 1.00 H new ATOM 0 HB3 LYS A 11 99.098 13.505 11.787 1.00 1.00 H new ATOM 0 HG2 LYS A 11 97.262 14.540 12.872 1.00 1.00 H new ATOM 0 HG3 LYS A 11 98.548 14.740 14.045 1.00 1.00 H new ATOM 0 HD2 LYS A 11 99.008 17.042 12.944 1.00 1.00 H new ATOM 0 HD3 LYS A 11 97.497 16.828 12.083 1.00 1.00 H new ATOM 0 HE2 LYS A 11 97.952 17.185 15.056 1.00 1.00 H new ATOM 0 HE3 LYS A 11 96.783 17.982 14.020 1.00 1.00 H new ATOM 0 HZ1 LYS A 11 95.548 16.435 15.250 1.00 1.00 H new ATOM 0 HZ2 LYS A 11 95.749 15.676 13.744 1.00 1.00 H new ATOM 0 HZ3 LYS A 11 96.702 15.203 15.067 1.00 1.00 H new ATOM 186 N GLY A 12 102.018 14.496 10.529 1.00 1.00 N ATOM 187 CA GLY A 12 102.962 13.819 9.651 1.00 1.00 C ATOM 188 C GLY A 12 104.372 13.815 10.230 1.00 1.00 C ATOM 189 O GLY A 12 105.059 12.796 10.193 1.00 1.00 O ATOM 0 H GLY A 12 101.678 15.391 10.177 1.00 1.00 H new ATOM 0 HA2 GLY A 12 102.634 12.793 9.487 1.00 1.00 H new ATOM 0 HA3 GLY A 12 102.970 14.310 8.678 1.00 1.00 H new ATOM 193 N GLU A 13 104.803 14.944 10.787 1.00 1.00 N ATOM 194 CA GLU A 13 106.134 15.006 11.384 1.00 1.00 C ATOM 195 C GLU A 13 106.203 14.025 12.537 1.00 1.00 C ATOM 196 O GLU A 13 107.250 13.447 12.819 1.00 1.00 O ATOM 197 CB GLU A 13 106.446 16.424 11.897 1.00 1.00 C ATOM 198 CG GLU A 13 106.890 17.319 10.743 1.00 1.00 C ATOM 199 CD GLU A 13 107.089 18.747 11.238 1.00 1.00 C ATOM 200 OE1 GLU A 13 107.587 19.554 10.471 1.00 1.00 O ATOM 201 OE2 GLU A 13 106.728 19.016 12.372 1.00 1.00 O ATOM 0 H GLU A 13 104.265 15.809 10.838 1.00 1.00 H new ATOM 0 HA GLU A 13 106.871 14.749 10.623 1.00 1.00 H new ATOM 0 HB2 GLU A 13 105.563 16.847 12.376 1.00 1.00 H new ATOM 0 HB3 GLU A 13 107.229 16.380 12.654 1.00 1.00 H new ATOM 0 HG2 GLU A 13 107.818 16.941 10.315 1.00 1.00 H new ATOM 0 HG3 GLU A 13 106.143 17.301 9.950 1.00 1.00 H new ATOM 208 N ALA A 14 105.071 13.844 13.191 1.00 1.00 N ATOM 209 CA ALA A 14 104.974 12.938 14.310 1.00 1.00 C ATOM 210 C ALA A 14 104.887 11.508 13.810 1.00 1.00 C ATOM 211 O ALA A 14 105.400 10.574 14.427 1.00 1.00 O ATOM 212 CB ALA A 14 103.734 13.274 15.135 1.00 1.00 C ATOM 0 H ALA A 14 104.199 14.320 12.960 1.00 1.00 H new ATOM 0 HA ALA A 14 105.861 13.043 14.934 1.00 1.00 H new ATOM 0 HB1 ALA A 14 103.662 12.589 15.980 1.00 1.00 H new ATOM 0 HB2 ALA A 14 103.808 14.297 15.503 1.00 1.00 H new ATOM 0 HB3 ALA A 14 102.845 13.176 14.512 1.00 1.00 H new ATOM 218 N PHE A 15 104.216 11.363 12.679 1.00 1.00 N ATOM 219 CA PHE A 15 104.015 10.072 12.055 1.00 1.00 C ATOM 220 C PHE A 15 105.342 9.434 11.682 1.00 1.00 C ATOM 221 O PHE A 15 105.604 8.284 12.030 1.00 1.00 O ATOM 222 CB PHE A 15 103.171 10.315 10.814 1.00 1.00 C ATOM 223 CG PHE A 15 102.706 9.038 10.194 1.00 1.00 C ATOM 224 CD1 PHE A 15 103.373 8.533 9.084 1.00 1.00 C ATOM 225 CD2 PHE A 15 101.565 8.401 10.687 1.00 1.00 C ATOM 226 CE1 PHE A 15 102.899 7.384 8.459 1.00 1.00 C ATOM 227 CE2 PHE A 15 101.097 7.242 10.072 1.00 1.00 C ATOM 228 CZ PHE A 15 101.763 6.737 8.954 1.00 1.00 C ATOM 0 H PHE A 15 103.796 12.140 12.169 1.00 1.00 H new ATOM 0 HA PHE A 15 103.518 9.386 12.741 1.00 1.00 H new ATOM 0 HB2 PHE A 15 102.307 10.926 11.077 1.00 1.00 H new ATOM 0 HB3 PHE A 15 103.752 10.881 10.086 1.00 1.00 H new ATOM 0 HD1 PHE A 15 104.255 9.030 8.708 1.00 1.00 H new ATOM 0 HD2 PHE A 15 101.047 8.806 11.543 1.00 1.00 H new ATOM 0 HE1 PHE A 15 103.409 6.992 7.591 1.00 1.00 H new ATOM 0 HE2 PHE A 15 100.224 6.737 10.458 1.00 1.00 H new ATOM 0 HZ PHE A 15 101.399 5.843 8.470 1.00 1.00 H new ATOM 238 N LEU A 16 106.187 10.190 10.998 1.00 1.00 N ATOM 239 CA LEU A 16 107.495 9.672 10.623 1.00 1.00 C ATOM 240 C LEU A 16 108.373 9.551 11.849 1.00 1.00 C ATOM 241 O LEU A 16 109.132 8.594 11.996 1.00 1.00 O ATOM 242 CB LEU A 16 108.197 10.586 9.611 1.00 1.00 C ATOM 243 CG LEU A 16 107.532 10.496 8.219 1.00 1.00 C ATOM 244 CD1 LEU A 16 106.405 11.537 8.066 1.00 1.00 C ATOM 245 CD2 LEU A 16 108.599 10.730 7.155 1.00 1.00 C ATOM 0 H LEU A 16 105.997 11.146 10.696 1.00 1.00 H new ATOM 0 HA LEU A 16 107.338 8.695 10.166 1.00 1.00 H new ATOM 0 HB2 LEU A 16 108.166 11.616 9.965 1.00 1.00 H new ATOM 0 HB3 LEU A 16 109.248 10.307 9.533 1.00 1.00 H new ATOM 0 HG LEU A 16 107.087 9.508 8.103 1.00 1.00 H new ATOM 0 HD11 LEU A 16 105.958 11.447 7.076 1.00 1.00 H new ATOM 0 HD12 LEU A 16 105.643 11.362 8.825 1.00 1.00 H new ATOM 0 HD13 LEU A 16 106.816 12.539 8.189 1.00 1.00 H new ATOM 0 HD21 LEU A 16 108.146 10.670 6.166 1.00 1.00 H new ATOM 0 HD22 LEU A 16 109.040 11.717 7.293 1.00 1.00 H new ATOM 0 HD23 LEU A 16 109.375 9.970 7.245 1.00 1.00 H new ATOM 257 N THR A 17 108.272 10.537 12.721 1.00 1.00 N ATOM 258 CA THR A 17 109.077 10.533 13.923 1.00 1.00 C ATOM 259 C THR A 17 108.729 9.316 14.755 1.00 1.00 C ATOM 260 O THR A 17 109.602 8.651 15.312 1.00 1.00 O ATOM 261 CB THR A 17 108.851 11.801 14.741 1.00 1.00 C ATOM 262 OG1 THR A 17 109.212 12.935 13.968 1.00 1.00 O ATOM 263 CG2 THR A 17 109.721 11.750 15.985 1.00 1.00 C ATOM 0 H THR A 17 107.650 11.339 12.620 1.00 1.00 H new ATOM 0 HA THR A 17 110.128 10.499 13.637 1.00 1.00 H new ATOM 0 HB THR A 17 107.800 11.872 15.023 1.00 1.00 H new ATOM 0 HG1 THR A 17 108.402 13.390 13.657 1.00 1.00 H new ATOM 0 HG21 THR A 17 109.565 12.653 16.575 1.00 1.00 H new ATOM 0 HG22 THR A 17 109.454 10.877 16.580 1.00 1.00 H new ATOM 0 HG23 THR A 17 110.769 11.683 15.693 1.00 1.00 H new ATOM 271 N GLU A 18 107.437 9.039 14.847 1.00 1.00 N ATOM 272 CA GLU A 18 106.960 7.910 15.610 1.00 1.00 C ATOM 273 C GLU A 18 107.168 6.591 14.871 1.00 1.00 C ATOM 274 O GLU A 18 107.573 5.597 15.472 1.00 1.00 O ATOM 275 CB GLU A 18 105.485 8.096 15.946 1.00 1.00 C ATOM 276 CG GLU A 18 105.021 6.971 16.873 1.00 1.00 C ATOM 277 CD GLU A 18 103.582 7.220 17.310 1.00 1.00 C ATOM 278 OE1 GLU A 18 103.319 8.293 17.826 1.00 1.00 O ATOM 279 OE2 GLU A 18 102.761 6.336 17.123 1.00 1.00 O ATOM 0 H GLU A 18 106.703 9.587 14.399 1.00 1.00 H new ATOM 0 HA GLU A 18 107.542 7.864 16.530 1.00 1.00 H new ATOM 0 HB2 GLU A 18 105.331 9.062 16.426 1.00 1.00 H new ATOM 0 HB3 GLU A 18 104.891 8.095 15.032 1.00 1.00 H new ATOM 0 HG2 GLU A 18 105.094 6.012 16.360 1.00 1.00 H new ATOM 0 HG3 GLU A 18 105.671 6.916 17.746 1.00 1.00 H new ATOM 286 N ASN A 19 106.846 6.573 13.577 1.00 1.00 N ATOM 287 CA ASN A 19 106.958 5.341 12.795 1.00 1.00 C ATOM 288 C ASN A 19 108.372 4.790 12.738 1.00 1.00 C ATOM 289 O ASN A 19 108.574 3.587 12.899 1.00 1.00 O ATOM 290 CB ASN A 19 106.477 5.580 11.371 1.00 1.00 C ATOM 291 CG ASN A 19 106.516 4.273 10.604 1.00 1.00 C ATOM 292 OD1 ASN A 19 105.959 3.271 11.051 1.00 1.00 O ATOM 293 ND2 ASN A 19 107.148 4.222 9.477 1.00 1.00 N ATOM 0 H ASN A 19 106.511 7.383 13.055 1.00 1.00 H new ATOM 0 HA ASN A 19 106.335 4.605 13.303 1.00 1.00 H new ATOM 0 HB2 ASN A 19 105.463 5.980 11.380 1.00 1.00 H new ATOM 0 HB3 ASN A 19 107.108 6.322 10.881 1.00 1.00 H new ATOM 0 HD21 ASN A 19 107.187 3.348 8.953 1.00 1.00 H new ATOM 0 HD22 ASN A 19 107.608 5.056 9.112 1.00 1.00 H new ATOM 300 N LYS A 20 109.345 5.645 12.507 1.00 1.00 N ATOM 301 CA LYS A 20 110.719 5.166 12.433 1.00 1.00 C ATOM 302 C LYS A 20 111.080 4.474 13.740 1.00 1.00 C ATOM 303 O LYS A 20 111.871 3.533 13.767 1.00 1.00 O ATOM 304 CB LYS A 20 111.688 6.323 12.181 1.00 1.00 C ATOM 305 CG LYS A 20 111.580 7.330 13.326 1.00 1.00 C ATOM 306 CD LYS A 20 112.258 8.647 12.936 1.00 1.00 C ATOM 307 CE LYS A 20 113.758 8.429 12.770 1.00 1.00 C ATOM 308 NZ LYS A 20 114.451 9.748 12.721 1.00 1.00 N ATOM 0 H LYS A 20 109.223 6.648 12.370 1.00 1.00 H new ATOM 0 HA LYS A 20 110.800 4.464 11.603 1.00 1.00 H new ATOM 0 HB2 LYS A 20 112.709 5.948 12.106 1.00 1.00 H new ATOM 0 HB3 LYS A 20 111.456 6.807 11.232 1.00 1.00 H new ATOM 0 HG2 LYS A 20 110.532 7.509 13.565 1.00 1.00 H new ATOM 0 HG3 LYS A 20 112.047 6.924 14.223 1.00 1.00 H new ATOM 0 HD2 LYS A 20 111.831 9.024 12.007 1.00 1.00 H new ATOM 0 HD3 LYS A 20 112.074 9.401 13.701 1.00 1.00 H new ATOM 0 HE2 LYS A 20 114.143 7.835 13.598 1.00 1.00 H new ATOM 0 HE3 LYS A 20 113.956 7.868 11.856 1.00 1.00 H new ATOM 0 HZ1 LYS A 20 115.474 9.599 12.608 1.00 1.00 H new ATOM 0 HZ2 LYS A 20 114.091 10.300 11.917 1.00 1.00 H new ATOM 0 HZ3 LYS A 20 114.273 10.267 13.604 1.00 1.00 H new ATOM 322 N ASN A 21 110.485 4.964 14.821 1.00 1.00 N ATOM 323 CA ASN A 21 110.727 4.414 16.148 1.00 1.00 C ATOM 324 C ASN A 21 109.921 3.141 16.385 1.00 1.00 C ATOM 325 O ASN A 21 110.338 2.271 17.150 1.00 1.00 O ATOM 326 CB ASN A 21 110.375 5.470 17.204 1.00 1.00 C ATOM 327 CG ASN A 21 111.528 6.462 17.357 1.00 1.00 C ATOM 328 OD1 ASN A 21 112.566 6.123 17.925 1.00 1.00 O ATOM 329 ND2 ASN A 21 111.412 7.668 16.873 1.00 1.00 N ATOM 0 H ASN A 21 109.829 5.745 14.803 1.00 1.00 H new ATOM 0 HA ASN A 21 111.782 4.150 16.225 1.00 1.00 H new ATOM 0 HB2 ASN A 21 109.467 5.998 16.914 1.00 1.00 H new ATOM 0 HB3 ASN A 21 110.171 4.987 18.159 1.00 1.00 H new ATOM 0 HD21 ASN A 21 112.182 8.331 16.965 1.00 1.00 H new ATOM 0 HD22 ASN A 21 110.551 7.948 16.402 1.00 1.00 H new ATOM 336 N LYS A 22 108.759 3.046 15.758 1.00 1.00 N ATOM 337 CA LYS A 22 107.912 1.885 15.953 1.00 1.00 C ATOM 338 C LYS A 22 108.647 0.579 15.568 1.00 1.00 C ATOM 339 O LYS A 22 109.313 0.534 14.534 1.00 1.00 O ATOM 340 CB LYS A 22 106.630 2.039 15.125 1.00 1.00 C ATOM 341 CG LYS A 22 105.658 3.037 15.803 1.00 1.00 C ATOM 342 CD LYS A 22 104.203 2.684 15.473 1.00 1.00 C ATOM 343 CE LYS A 22 103.941 2.965 13.997 1.00 1.00 C ATOM 344 NZ LYS A 22 102.618 2.402 13.607 1.00 1.00 N ATOM 0 H LYS A 22 108.387 3.749 15.119 1.00 1.00 H new ATOM 0 HA LYS A 22 107.656 1.820 17.011 1.00 1.00 H new ATOM 0 HB2 LYS A 22 106.878 2.389 14.123 1.00 1.00 H new ATOM 0 HB3 LYS A 22 106.144 1.070 15.013 1.00 1.00 H new ATOM 0 HG2 LYS A 22 105.806 3.020 16.883 1.00 1.00 H new ATOM 0 HG3 LYS A 22 105.877 4.051 15.467 1.00 1.00 H new ATOM 0 HD2 LYS A 22 104.012 1.634 15.695 1.00 1.00 H new ATOM 0 HD3 LYS A 22 103.524 3.270 16.093 1.00 1.00 H new ATOM 0 HE2 LYS A 22 103.959 4.039 13.812 1.00 1.00 H new ATOM 0 HE3 LYS A 22 104.729 2.524 13.387 1.00 1.00 H new ATOM 0 HZ1 LYS A 22 102.442 2.595 12.600 1.00 1.00 H new ATOM 0 HZ2 LYS A 22 102.617 1.375 13.768 1.00 1.00 H new ATOM 0 HZ3 LYS A 22 101.870 2.843 14.180 1.00 1.00 H new ATOM 358 N PRO A 23 108.540 -0.485 16.361 1.00 1.00 N ATOM 359 CA PRO A 23 109.218 -1.788 16.050 1.00 1.00 C ATOM 360 C PRO A 23 108.912 -2.317 14.646 1.00 1.00 C ATOM 361 O PRO A 23 107.825 -2.109 14.108 1.00 1.00 O ATOM 362 CB PRO A 23 108.680 -2.767 17.105 1.00 1.00 C ATOM 363 CG PRO A 23 108.220 -1.914 18.239 1.00 1.00 C ATOM 364 CD PRO A 23 107.789 -0.573 17.637 1.00 1.00 C ATOM 0 HA PRO A 23 110.301 -1.664 16.075 1.00 1.00 H new ATOM 0 HB2 PRO A 23 107.861 -3.364 16.705 1.00 1.00 H new ATOM 0 HB3 PRO A 23 109.455 -3.463 17.426 1.00 1.00 H new ATOM 0 HG2 PRO A 23 107.391 -2.386 18.766 1.00 1.00 H new ATOM 0 HG3 PRO A 23 109.020 -1.772 18.966 1.00 1.00 H new ATOM 0 HD2 PRO A 23 106.713 -0.541 17.468 1.00 1.00 H new ATOM 0 HD3 PRO A 23 108.033 0.257 18.300 1.00 1.00 H new ATOM 372 N GLY A 24 109.891 -3.020 14.082 1.00 1.00 N ATOM 373 CA GLY A 24 109.758 -3.614 12.760 1.00 1.00 C ATOM 374 C GLY A 24 110.036 -2.609 11.660 1.00 1.00 C ATOM 375 O GLY A 24 110.322 -2.987 10.530 1.00 1.00 O ATOM 0 H GLY A 24 110.792 -3.192 14.527 1.00 1.00 H new ATOM 0 HA2 GLY A 24 110.447 -4.453 12.668 1.00 1.00 H new ATOM 0 HA3 GLY A 24 108.751 -4.014 12.641 1.00 1.00 H new ATOM 379 N VAL A 25 109.954 -1.329 11.991 1.00 1.00 N ATOM 380 CA VAL A 25 110.188 -0.279 11.005 1.00 1.00 C ATOM 381 C VAL A 25 111.673 0.056 10.909 1.00 1.00 C ATOM 382 O VAL A 25 112.356 0.218 11.920 1.00 1.00 O ATOM 383 CB VAL A 25 109.425 0.994 11.403 1.00 1.00 C ATOM 384 CG1 VAL A 25 109.575 2.076 10.329 1.00 1.00 C ATOM 385 CG2 VAL A 25 107.942 0.692 11.597 1.00 1.00 C ATOM 0 H VAL A 25 109.729 -0.992 12.927 1.00 1.00 H new ATOM 0 HA VAL A 25 109.837 -0.643 10.039 1.00 1.00 H new ATOM 0 HB VAL A 25 109.850 1.354 12.340 1.00 1.00 H new ATOM 0 HG11 VAL A 25 109.027 2.968 10.632 1.00 1.00 H new ATOM 0 HG12 VAL A 25 110.630 2.323 10.206 1.00 1.00 H new ATOM 0 HG13 VAL A 25 109.176 1.708 9.384 1.00 1.00 H new ATOM 0 HG21 VAL A 25 107.418 1.606 11.879 1.00 1.00 H new ATOM 0 HG22 VAL A 25 107.525 0.306 10.667 1.00 1.00 H new ATOM 0 HG23 VAL A 25 107.822 -0.052 12.384 1.00 1.00 H new ATOM 389 N VAL A 26 112.149 0.208 9.677 1.00 1.00 N ATOM 390 CA VAL A 26 113.544 0.582 9.422 1.00 1.00 C ATOM 391 C VAL A 26 113.544 1.883 8.632 1.00 1.00 C ATOM 392 O VAL A 26 112.912 1.966 7.584 1.00 1.00 O ATOM 393 CB VAL A 26 114.247 -0.520 8.622 1.00 1.00 C ATOM 394 CG1 VAL A 26 115.618 -0.048 8.164 1.00 1.00 C ATOM 395 CG2 VAL A 26 114.390 -1.759 9.489 1.00 1.00 C ATOM 0 H VAL A 26 111.590 0.078 8.834 1.00 1.00 H new ATOM 0 HA VAL A 26 114.078 0.712 10.363 1.00 1.00 H new ATOM 0 HB VAL A 26 113.650 -0.758 7.742 1.00 1.00 H new ATOM 0 HG11 VAL A 26 116.105 -0.841 7.597 1.00 1.00 H new ATOM 0 HG12 VAL A 26 115.507 0.834 7.533 1.00 1.00 H new ATOM 0 HG13 VAL A 26 116.226 0.203 9.033 1.00 1.00 H new ATOM 0 HG21 VAL A 26 114.890 -2.544 8.922 1.00 1.00 H new ATOM 0 HG22 VAL A 26 114.980 -1.518 10.373 1.00 1.00 H new ATOM 0 HG23 VAL A 26 113.403 -2.105 9.795 1.00 1.00 H new ATOM 399 N VAL A 27 114.225 2.909 9.149 1.00 1.00 N ATOM 400 CA VAL A 27 114.250 4.219 8.483 1.00 1.00 C ATOM 401 C VAL A 27 115.496 4.408 7.654 1.00 1.00 C ATOM 402 O VAL A 27 116.577 3.921 7.987 1.00 1.00 O ATOM 403 CB VAL A 27 114.100 5.355 9.510 1.00 1.00 C ATOM 404 CG1 VAL A 27 115.188 5.235 10.547 1.00 1.00 C ATOM 405 CG2 VAL A 27 114.173 6.741 8.847 1.00 1.00 C ATOM 0 H VAL A 27 114.761 2.863 10.016 1.00 1.00 H new ATOM 0 HA VAL A 27 113.400 4.252 7.801 1.00 1.00 H new ATOM 0 HB VAL A 27 113.119 5.261 9.975 1.00 1.00 H new ATOM 0 HG11 VAL A 27 115.085 6.038 11.277 1.00 1.00 H new ATOM 0 HG12 VAL A 27 115.105 4.273 11.052 1.00 1.00 H new ATOM 0 HG13 VAL A 27 116.162 5.307 10.063 1.00 1.00 H new ATOM 0 HG21 VAL A 27 114.063 7.514 9.607 1.00 1.00 H new ATOM 0 HG22 VAL A 27 115.136 6.856 8.349 1.00 1.00 H new ATOM 0 HG23 VAL A 27 113.372 6.836 8.114 1.00 1.00 H new ATOM 409 N LEU A 28 115.314 5.125 6.544 1.00 1.00 N ATOM 410 CA LEU A 28 116.409 5.394 5.617 1.00 1.00 C ATOM 411 C LEU A 28 116.764 6.880 5.601 1.00 1.00 C ATOM 412 O LEU A 28 115.989 7.709 6.079 1.00 1.00 O ATOM 413 CB LEU A 28 115.995 4.976 4.205 1.00 1.00 C ATOM 414 CG LEU A 28 115.676 3.485 4.140 1.00 1.00 C ATOM 415 CD1 LEU A 28 115.158 3.169 2.735 1.00 1.00 C ATOM 416 CD2 LEU A 28 116.946 2.668 4.416 1.00 1.00 C ATOM 0 H LEU A 28 114.419 5.528 6.267 1.00 1.00 H new ATOM 0 HA LEU A 28 117.279 4.826 5.946 1.00 1.00 H new ATOM 0 HB2 LEU A 28 115.123 5.551 3.894 1.00 1.00 H new ATOM 0 HB3 LEU A 28 116.797 5.210 3.504 1.00 1.00 H new ATOM 0 HG LEU A 28 114.926 3.229 4.888 1.00 1.00 H new ATOM 0 HD11 LEU A 28 114.923 2.107 2.664 1.00 1.00 H new ATOM 0 HD12 LEU A 28 114.259 3.754 2.539 1.00 1.00 H new ATOM 0 HD13 LEU A 28 115.923 3.421 2.000 1.00 1.00 H new ATOM 0 HD21 LEU A 28 116.712 1.604 4.368 1.00 1.00 H new ATOM 0 HD22 LEU A 28 117.702 2.907 3.668 1.00 1.00 H new ATOM 0 HD23 LEU A 28 117.327 2.912 5.408 1.00 1.00 H new ATOM 428 N PRO A 29 117.908 7.244 5.053 1.00 1.00 N ATOM 429 CA PRO A 29 118.332 8.664 4.979 1.00 1.00 C ATOM 430 C PRO A 29 117.351 9.492 4.157 1.00 1.00 C ATOM 431 O PRO A 29 117.182 10.690 4.389 1.00 1.00 O ATOM 432 CB PRO A 29 119.720 8.615 4.322 1.00 1.00 C ATOM 433 CG PRO A 29 120.183 7.217 4.531 1.00 1.00 C ATOM 434 CD PRO A 29 118.928 6.372 4.443 1.00 1.00 C ATOM 0 HA PRO A 29 118.360 9.140 5.959 1.00 1.00 H new ATOM 0 HB2 PRO A 29 119.666 8.861 3.261 1.00 1.00 H new ATOM 0 HB3 PRO A 29 120.402 9.331 4.781 1.00 1.00 H new ATOM 0 HG2 PRO A 29 120.910 6.924 3.773 1.00 1.00 H new ATOM 0 HG3 PRO A 29 120.669 7.103 5.500 1.00 1.00 H new ATOM 0 HD2 PRO A 29 118.681 6.120 3.412 1.00 1.00 H new ATOM 0 HD3 PRO A 29 119.034 5.432 4.985 1.00 1.00 H new ATOM 442 N SER A 30 116.717 8.836 3.187 1.00 1.00 N ATOM 443 CA SER A 30 115.761 9.505 2.323 1.00 1.00 C ATOM 444 C SER A 30 114.525 9.881 3.121 1.00 1.00 C ATOM 445 O SER A 30 113.698 10.678 2.678 1.00 1.00 O ATOM 446 CB SER A 30 115.360 8.576 1.174 1.00 1.00 C ATOM 447 OG SER A 30 116.529 7.971 0.634 1.00 1.00 O ATOM 0 H SER A 30 116.851 7.845 2.984 1.00 1.00 H new ATOM 0 HA SER A 30 116.220 10.406 1.916 1.00 1.00 H new ATOM 0 HB2 SER A 30 114.672 7.810 1.532 1.00 1.00 H new ATOM 0 HB3 SER A 30 114.837 9.139 0.401 1.00 1.00 H new ATOM 0 HG SER A 30 116.278 7.374 -0.101 1.00 1.00 H new ATOM 453 N GLY A 31 114.407 9.283 4.302 1.00 1.00 N ATOM 454 CA GLY A 31 113.269 9.528 5.174 1.00 1.00 C ATOM 455 C GLY A 31 112.220 8.454 4.959 1.00 1.00 C ATOM 456 O GLY A 31 111.197 8.422 5.641 1.00 1.00 O ATOM 0 H GLY A 31 115.089 8.623 4.676 1.00 1.00 H new ATOM 0 HA2 GLY A 31 113.591 9.532 6.215 1.00 1.00 H new ATOM 0 HA3 GLY A 31 112.845 10.511 4.967 1.00 1.00 H new ATOM 460 N LEU A 32 112.488 7.560 4.008 1.00 1.00 N ATOM 461 CA LEU A 32 111.557 6.481 3.714 1.00 1.00 C ATOM 462 C LEU A 32 111.735 5.380 4.744 1.00 1.00 C ATOM 463 O LEU A 32 112.859 4.986 5.056 1.00 1.00 O ATOM 464 CB LEU A 32 111.813 5.935 2.289 1.00 1.00 C ATOM 465 CG LEU A 32 110.798 4.843 1.839 1.00 1.00 C ATOM 466 CD1 LEU A 32 111.171 3.468 2.373 1.00 1.00 C ATOM 467 CD2 LEU A 32 109.377 5.194 2.273 1.00 1.00 C ATOM 0 H LEU A 32 113.333 7.564 3.436 1.00 1.00 H new ATOM 0 HA LEU A 32 110.534 6.854 3.759 1.00 1.00 H new ATOM 0 HB2 LEU A 32 111.778 6.763 1.581 1.00 1.00 H new ATOM 0 HB3 LEU A 32 112.820 5.521 2.245 1.00 1.00 H new ATOM 0 HG LEU A 32 110.838 4.811 0.750 1.00 1.00 H new ATOM 0 HD11 LEU A 32 110.437 2.736 2.036 1.00 1.00 H new ATOM 0 HD12 LEU A 32 112.158 3.190 2.003 1.00 1.00 H new ATOM 0 HD13 LEU A 32 111.185 3.492 3.463 1.00 1.00 H new ATOM 0 HD21 LEU A 32 108.692 4.412 1.944 1.00 1.00 H new ATOM 0 HD22 LEU A 32 109.338 5.277 3.359 1.00 1.00 H new ATOM 0 HD23 LEU A 32 109.084 6.144 1.826 1.00 1.00 H new ATOM 479 N GLN A 33 110.624 4.888 5.272 1.00 1.00 N ATOM 480 CA GLN A 33 110.648 3.832 6.273 1.00 1.00 C ATOM 481 C GLN A 33 109.872 2.621 5.802 1.00 1.00 C ATOM 482 O GLN A 33 108.804 2.756 5.207 1.00 1.00 O ATOM 483 CB GLN A 33 110.018 4.363 7.562 1.00 1.00 C ATOM 484 CG GLN A 33 110.865 5.509 8.131 1.00 1.00 C ATOM 485 CD GLN A 33 110.275 6.867 7.807 1.00 1.00 C ATOM 486 OE1 GLN A 33 109.396 6.989 6.955 1.00 1.00 O ATOM 487 NE2 GLN A 33 110.722 7.904 8.443 1.00 1.00 N ATOM 0 H GLN A 33 109.688 5.206 5.021 1.00 1.00 H new ATOM 0 HA GLN A 33 111.682 3.533 6.445 1.00 1.00 H new ATOM 0 HB2 GLN A 33 109.005 4.713 7.363 1.00 1.00 H new ATOM 0 HB3 GLN A 33 109.939 3.560 8.295 1.00 1.00 H new ATOM 0 HG2 GLN A 33 110.946 5.398 9.212 1.00 1.00 H new ATOM 0 HG3 GLN A 33 111.876 5.447 7.728 1.00 1.00 H new ATOM 0 HE21 GLN A 33 111.451 7.795 9.148 1.00 1.00 H new ATOM 0 HE22 GLN A 33 110.345 8.829 8.238 1.00 1.00 H new ATOM 496 N TYR A 34 110.402 1.430 6.087 1.00 1.00 N ATOM 497 CA TYR A 34 109.725 0.196 5.705 1.00 1.00 C ATOM 498 C TYR A 34 109.753 -0.804 6.831 1.00 1.00 C ATOM 499 O TYR A 34 110.723 -0.902 7.584 1.00 1.00 O ATOM 500 CB TYR A 34 110.339 -0.421 4.447 1.00 1.00 C ATOM 501 CG TYR A 34 111.780 -0.781 4.698 1.00 1.00 C ATOM 502 CD1 TYR A 34 112.083 -1.946 5.400 1.00 1.00 C ATOM 503 CD2 TYR A 34 112.809 0.038 4.221 1.00 1.00 C ATOM 504 CE1 TYR A 34 113.416 -2.301 5.633 1.00 1.00 C ATOM 505 CE2 TYR A 34 114.143 -0.314 4.454 1.00 1.00 C ATOM 506 CZ TYR A 34 114.447 -1.484 5.159 1.00 1.00 C ATOM 507 OH TYR A 34 115.762 -1.830 5.389 1.00 1.00 O ATOM 0 H TYR A 34 111.288 1.297 6.575 1.00 1.00 H new ATOM 0 HA TYR A 34 108.689 0.455 5.486 1.00 1.00 H new ATOM 0 HB2 TYR A 34 109.779 -1.310 4.158 1.00 1.00 H new ATOM 0 HB3 TYR A 34 110.271 0.282 3.617 1.00 1.00 H new ATOM 0 HD1 TYR A 34 111.286 -2.577 5.765 1.00 1.00 H new ATOM 0 HD2 TYR A 34 112.574 0.939 3.674 1.00 1.00 H new ATOM 0 HE1 TYR A 34 113.648 -3.204 6.178 1.00 1.00 H new ATOM 0 HE2 TYR A 34 114.939 0.318 4.089 1.00 1.00 H new ATOM 0 HH TYR A 34 116.352 -1.156 4.992 1.00 1.00 H new ATOM 517 N LYS A 35 108.663 -1.552 6.927 1.00 1.00 N ATOM 518 CA LYS A 35 108.507 -2.568 7.939 1.00 1.00 C ATOM 519 C LYS A 35 108.129 -3.869 7.276 1.00 1.00 C ATOM 520 O LYS A 35 107.290 -3.900 6.378 1.00 1.00 O ATOM 521 CB LYS A 35 107.432 -2.141 8.932 1.00 1.00 C ATOM 522 CG LYS A 35 107.310 -3.147 10.080 1.00 1.00 C ATOM 523 CD LYS A 35 106.068 -4.015 9.921 1.00 1.00 C ATOM 524 CE LYS A 35 105.884 -4.841 11.186 1.00 1.00 C ATOM 525 NZ LYS A 35 105.728 -3.928 12.353 1.00 1.00 N ATOM 0 H LYS A 35 107.864 -1.465 6.300 1.00 1.00 H new ATOM 0 HA LYS A 35 109.444 -2.703 8.480 1.00 1.00 H new ATOM 0 HB2 LYS A 35 107.673 -1.156 9.332 1.00 1.00 H new ATOM 0 HB3 LYS A 35 106.474 -2.052 8.419 1.00 1.00 H new ATOM 0 HG2 LYS A 35 108.198 -3.779 10.109 1.00 1.00 H new ATOM 0 HG3 LYS A 35 107.266 -2.615 11.030 1.00 1.00 H new ATOM 0 HD2 LYS A 35 105.191 -3.391 9.746 1.00 1.00 H new ATOM 0 HD3 LYS A 35 106.172 -4.669 9.055 1.00 1.00 H new ATOM 0 HE2 LYS A 35 105.007 -5.482 11.091 1.00 1.00 H new ATOM 0 HE3 LYS A 35 106.743 -5.496 11.334 1.00 1.00 H new ATOM 0 HZ1 LYS A 35 105.036 -4.329 13.018 1.00 1.00 H new ATOM 0 HZ2 LYS A 35 106.644 -3.818 12.832 1.00 1.00 H new ATOM 0 HZ3 LYS A 35 105.395 -2.999 12.025 1.00 1.00 H new ATOM 539 N VAL A 36 108.780 -4.934 7.701 1.00 1.00 N ATOM 540 CA VAL A 36 108.534 -6.248 7.114 1.00 1.00 C ATOM 541 C VAL A 36 107.471 -7.027 7.885 1.00 1.00 C ATOM 542 O VAL A 36 107.714 -7.583 8.953 1.00 1.00 O ATOM 543 CB VAL A 36 109.857 -7.023 7.034 1.00 1.00 C ATOM 544 CG1 VAL A 36 110.576 -6.993 8.378 1.00 1.00 C ATOM 545 CG2 VAL A 36 109.602 -8.477 6.606 1.00 1.00 C ATOM 0 H VAL A 36 109.479 -4.922 8.444 1.00 1.00 H new ATOM 0 HA VAL A 36 108.140 -6.113 6.107 1.00 1.00 H new ATOM 0 HB VAL A 36 110.490 -6.543 6.288 1.00 1.00 H new ATOM 0 HG11 VAL A 36 111.512 -7.547 8.303 1.00 1.00 H new ATOM 0 HG12 VAL A 36 110.787 -5.960 8.655 1.00 1.00 H new ATOM 0 HG13 VAL A 36 109.944 -7.450 9.139 1.00 1.00 H new ATOM 0 HG21 VAL A 36 110.550 -9.013 6.554 1.00 1.00 H new ATOM 0 HG22 VAL A 36 108.951 -8.962 7.333 1.00 1.00 H new ATOM 0 HG23 VAL A 36 109.124 -8.489 5.626 1.00 1.00 H new ATOM 549 N ILE A 37 106.284 -7.079 7.308 1.00 1.00 N ATOM 550 CA ILE A 37 105.187 -7.805 7.913 1.00 1.00 C ATOM 551 C ILE A 37 105.495 -9.291 7.837 1.00 1.00 C ATOM 552 O ILE A 37 105.252 -10.049 8.777 1.00 1.00 O ATOM 553 CB ILE A 37 103.882 -7.521 7.162 1.00 1.00 C ATOM 554 CG1 ILE A 37 103.741 -6.020 6.856 1.00 1.00 C ATOM 555 CG2 ILE A 37 102.722 -7.980 8.027 1.00 1.00 C ATOM 556 CD1 ILE A 37 103.608 -5.169 8.117 1.00 1.00 C ATOM 0 H ILE A 37 106.057 -6.627 6.422 1.00 1.00 H new ATOM 0 HA ILE A 37 105.069 -7.490 8.950 1.00 1.00 H new ATOM 0 HB ILE A 37 103.886 -8.058 6.214 1.00 1.00 H new ATOM 0 HG12 ILE A 37 104.610 -5.686 6.288 1.00 1.00 H new ATOM 0 HG13 ILE A 37 102.867 -5.863 6.224 1.00 1.00 H new ATOM 0 HG21 ILE A 37 101.783 -7.786 7.509 1.00 1.00 H new ATOM 0 HG22 ILE A 37 102.815 -9.048 8.223 1.00 1.00 H new ATOM 0 HG23 ILE A 37 102.735 -7.436 8.971 1.00 1.00 H new ATOM 0 HD11 ILE A 37 103.512 -4.119 7.839 1.00 1.00 H new ATOM 0 HD12 ILE A 37 102.724 -5.479 8.674 1.00 1.00 H new ATOM 0 HD13 ILE A 37 104.493 -5.300 8.739 1.00 1.00 H new ATOM 563 N ASN A 38 106.026 -9.690 6.684 1.00 1.00 N ATOM 564 CA ASN A 38 106.376 -11.079 6.424 1.00 1.00 C ATOM 565 C ASN A 38 107.645 -11.140 5.588 1.00 1.00 C ATOM 566 O ASN A 38 107.742 -10.475 4.559 1.00 1.00 O ATOM 567 CB ASN A 38 105.245 -11.756 5.653 1.00 1.00 C ATOM 568 CG ASN A 38 103.985 -11.826 6.508 1.00 1.00 C ATOM 569 OD1 ASN A 38 103.695 -12.866 7.100 1.00 1.00 O ATOM 570 ND2 ASN A 38 103.217 -10.778 6.614 1.00 1.00 N ATOM 0 H ASN A 38 106.224 -9.060 5.907 1.00 1.00 H new ATOM 0 HA ASN A 38 106.535 -11.589 7.374 1.00 1.00 H new ATOM 0 HB2 ASN A 38 105.040 -11.203 4.736 1.00 1.00 H new ATOM 0 HB3 ASN A 38 105.548 -12.761 5.358 1.00 1.00 H new ATOM 0 HD21 ASN A 38 102.375 -10.819 7.188 1.00 1.00 H new ATOM 0 HD22 ASN A 38 103.458 -9.917 6.123 1.00 1.00 H new ATOM 577 N SER A 39 108.611 -11.940 6.020 1.00 1.00 N ATOM 578 CA SER A 39 109.859 -12.076 5.275 1.00 1.00 C ATOM 579 C SER A 39 109.710 -13.145 4.197 1.00 1.00 C ATOM 580 O SER A 39 109.232 -14.246 4.466 1.00 1.00 O ATOM 581 CB SER A 39 110.995 -12.457 6.216 1.00 1.00 C ATOM 582 OG SER A 39 111.029 -13.870 6.367 1.00 1.00 O ATOM 0 H SER A 39 108.558 -12.499 6.872 1.00 1.00 H new ATOM 0 HA SER A 39 110.090 -11.120 4.805 1.00 1.00 H new ATOM 0 HB2 SER A 39 111.945 -12.100 5.820 1.00 1.00 H new ATOM 0 HB3 SER A 39 110.854 -11.980 7.186 1.00 1.00 H new ATOM 0 HG SER A 39 110.228 -14.262 5.960 1.00 1.00 H new ATOM 588 N GLY A 40 110.129 -12.814 2.975 1.00 1.00 N ATOM 589 CA GLY A 40 110.048 -13.744 1.855 1.00 1.00 C ATOM 590 C GLY A 40 111.433 -14.002 1.278 1.00 1.00 C ATOM 591 O GLY A 40 111.742 -15.111 0.841 1.00 1.00 O ATOM 0 H GLY A 40 110.528 -11.906 2.738 1.00 1.00 H new ATOM 0 HA2 GLY A 40 109.604 -14.683 2.185 1.00 1.00 H new ATOM 0 HA3 GLY A 40 109.395 -13.337 1.083 1.00 1.00 H new ATOM 595 N ASN A 41 112.261 -12.966 1.287 1.00 1.00 N ATOM 596 CA ASN A 41 113.619 -13.071 0.773 1.00 1.00 C ATOM 597 C ASN A 41 113.625 -13.594 -0.660 1.00 1.00 C ATOM 598 O ASN A 41 114.575 -14.254 -1.083 1.00 1.00 O ATOM 599 CB ASN A 41 114.428 -13.998 1.675 1.00 1.00 C ATOM 600 CG ASN A 41 114.305 -13.531 3.122 1.00 1.00 C ATOM 601 OD1 ASN A 41 114.875 -14.145 4.025 1.00 1.00 O ATOM 602 ND2 ASN A 41 113.582 -12.478 3.396 1.00 1.00 N ATOM 0 H ASN A 41 112.015 -12.043 1.645 1.00 1.00 H new ATOM 0 HA ASN A 41 114.069 -12.078 0.767 1.00 1.00 H new ATOM 0 HB2 ASN A 41 114.067 -15.022 1.580 1.00 1.00 H new ATOM 0 HB3 ASN A 41 115.474 -13.999 1.369 1.00 1.00 H new ATOM 0 HD21 ASN A 41 113.488 -12.161 4.361 1.00 1.00 H new ATOM 0 HD22 ASN A 41 113.112 -11.973 2.645 1.00 1.00 H new ATOM 609 N GLY A 42 112.563 -13.293 -1.403 1.00 1.00 N ATOM 610 CA GLY A 42 112.455 -13.732 -2.788 1.00 1.00 C ATOM 611 C GLY A 42 113.019 -12.705 -3.748 1.00 1.00 C ATOM 612 O GLY A 42 113.769 -11.805 -3.373 1.00 1.00 O ATOM 0 H GLY A 42 111.768 -12.748 -1.069 1.00 1.00 H new ATOM 0 HA2 GLY A 42 112.985 -14.676 -2.913 1.00 1.00 H new ATOM 0 HA3 GLY A 42 111.409 -13.920 -3.030 1.00 1.00 H new ATOM 616 N VAL A 43 112.612 -12.850 -4.991 1.00 1.00 N ATOM 617 CA VAL A 43 113.015 -11.954 -6.053 1.00 1.00 C ATOM 618 C VAL A 43 112.381 -10.592 -5.835 1.00 1.00 C ATOM 619 O VAL A 43 111.655 -10.391 -4.871 1.00 1.00 O ATOM 620 CB VAL A 43 112.629 -12.524 -7.423 1.00 1.00 C ATOM 621 CG1 VAL A 43 113.254 -13.901 -7.582 1.00 1.00 C ATOM 622 CG2 VAL A 43 111.112 -12.645 -7.576 1.00 1.00 C ATOM 0 H VAL A 43 111.988 -13.598 -5.295 1.00 1.00 H new ATOM 0 HA VAL A 43 114.100 -11.847 -6.035 1.00 1.00 H new ATOM 0 HB VAL A 43 112.995 -11.842 -8.190 1.00 1.00 H new ATOM 0 HG11 VAL A 43 112.984 -14.313 -8.554 1.00 1.00 H new ATOM 0 HG12 VAL A 43 114.339 -13.819 -7.511 1.00 1.00 H new ATOM 0 HG13 VAL A 43 112.888 -14.560 -6.794 1.00 1.00 H new ATOM 0 HG21 VAL A 43 110.877 -13.052 -8.559 1.00 1.00 H new ATOM 0 HG22 VAL A 43 110.720 -13.309 -6.805 1.00 1.00 H new ATOM 0 HG23 VAL A 43 110.656 -11.660 -7.473 1.00 1.00 H new ATOM 626 N LYS A 44 112.647 -9.685 -6.756 1.00 1.00 N ATOM 627 CA LYS A 44 112.108 -8.322 -6.705 1.00 1.00 C ATOM 628 C LYS A 44 112.683 -7.503 -7.868 1.00 1.00 C ATOM 629 O LYS A 44 113.723 -7.851 -8.427 1.00 1.00 O ATOM 630 CB LYS A 44 112.410 -7.625 -5.341 1.00 1.00 C ATOM 631 CG LYS A 44 113.899 -7.204 -5.185 1.00 1.00 C ATOM 632 CD LYS A 44 114.709 -8.308 -4.463 1.00 1.00 C ATOM 633 CE LYS A 44 114.712 -8.079 -2.941 1.00 1.00 C ATOM 634 NZ LYS A 44 115.182 -9.316 -2.267 1.00 1.00 N ATOM 0 H LYS A 44 113.242 -9.864 -7.565 1.00 1.00 H new ATOM 0 HA LYS A 44 111.024 -8.381 -6.799 1.00 1.00 H new ATOM 0 HB2 LYS A 44 111.777 -6.743 -5.243 1.00 1.00 H new ATOM 0 HB3 LYS A 44 112.143 -8.300 -4.528 1.00 1.00 H new ATOM 0 HG2 LYS A 44 114.332 -7.012 -6.167 1.00 1.00 H new ATOM 0 HG3 LYS A 44 113.961 -6.273 -4.621 1.00 1.00 H new ATOM 0 HD2 LYS A 44 114.280 -9.285 -4.687 1.00 1.00 H new ATOM 0 HD3 LYS A 44 115.733 -8.316 -4.836 1.00 1.00 H new ATOM 0 HE2 LYS A 44 115.362 -7.242 -2.688 1.00 1.00 H new ATOM 0 HE3 LYS A 44 113.711 -7.820 -2.597 1.00 1.00 H new ATOM 0 HZ1 LYS A 44 115.333 -9.125 -1.256 1.00 1.00 H new ATOM 0 HZ2 LYS A 44 114.467 -10.063 -2.375 1.00 1.00 H new ATOM 0 HZ3 LYS A 44 116.076 -9.628 -2.697 1.00 1.00 H new ATOM 648 N PRO A 45 111.976 -6.476 -8.291 1.00 1.00 N ATOM 649 CA PRO A 45 112.362 -5.648 -9.477 1.00 1.00 C ATOM 650 C PRO A 45 113.296 -4.481 -9.201 1.00 1.00 C ATOM 651 O PRO A 45 113.323 -3.930 -8.110 1.00 1.00 O ATOM 652 CB PRO A 45 111.008 -5.136 -9.982 1.00 1.00 C ATOM 653 CG PRO A 45 110.107 -5.094 -8.780 1.00 1.00 C ATOM 654 CD PRO A 45 110.731 -5.964 -7.684 1.00 1.00 C ATOM 0 HA PRO A 45 112.938 -6.248 -10.182 1.00 1.00 H new ATOM 0 HB2 PRO A 45 111.107 -4.147 -10.430 1.00 1.00 H new ATOM 0 HB3 PRO A 45 110.603 -5.795 -10.750 1.00 1.00 H new ATOM 0 HG2 PRO A 45 109.988 -4.069 -8.430 1.00 1.00 H new ATOM 0 HG3 PRO A 45 109.113 -5.461 -9.037 1.00 1.00 H new ATOM 0 HD2 PRO A 45 110.936 -5.384 -6.784 1.00 1.00 H new ATOM 0 HD3 PRO A 45 110.066 -6.777 -7.394 1.00 1.00 H new ATOM 662 N GLY A 46 114.002 -4.069 -10.255 1.00 1.00 N ATOM 663 CA GLY A 46 114.878 -2.913 -10.187 1.00 1.00 C ATOM 664 C GLY A 46 114.066 -1.673 -10.500 1.00 1.00 C ATOM 665 O GLY A 46 112.874 -1.758 -10.781 1.00 1.00 O ATOM 0 H GLY A 46 113.979 -4.525 -11.167 1.00 1.00 H new ATOM 0 HA2 GLY A 46 115.323 -2.833 -9.195 1.00 1.00 H new ATOM 0 HA3 GLY A 46 115.698 -3.017 -10.897 1.00 1.00 H new ATOM 669 N LYS A 47 114.707 -0.530 -10.448 1.00 1.00 N ATOM 670 CA LYS A 47 114.013 0.714 -10.721 1.00 1.00 C ATOM 671 C LYS A 47 113.358 0.686 -12.085 1.00 1.00 C ATOM 672 O LYS A 47 112.467 1.483 -12.366 1.00 1.00 O ATOM 673 CB LYS A 47 114.986 1.901 -10.652 1.00 1.00 C ATOM 674 CG LYS A 47 115.968 1.908 -11.851 1.00 1.00 C ATOM 675 CD LYS A 47 117.432 1.930 -11.373 1.00 1.00 C ATOM 676 CE LYS A 47 117.849 0.571 -10.809 1.00 1.00 C ATOM 677 NZ LYS A 47 117.388 0.449 -9.397 1.00 1.00 N ATOM 0 H LYS A 47 115.697 -0.431 -10.222 1.00 1.00 H new ATOM 0 HA LYS A 47 113.241 0.832 -9.961 1.00 1.00 H new ATOM 0 HB2 LYS A 47 114.422 2.834 -10.638 1.00 1.00 H new ATOM 0 HB3 LYS A 47 115.550 1.856 -9.720 1.00 1.00 H new ATOM 0 HG2 LYS A 47 115.798 1.026 -12.469 1.00 1.00 H new ATOM 0 HG3 LYS A 47 115.774 2.779 -12.478 1.00 1.00 H new ATOM 0 HD2 LYS A 47 118.085 2.198 -12.204 1.00 1.00 H new ATOM 0 HD3 LYS A 47 117.557 2.698 -10.609 1.00 1.00 H new ATOM 0 HE2 LYS A 47 117.421 -0.230 -11.412 1.00 1.00 H new ATOM 0 HE3 LYS A 47 118.933 0.463 -10.858 1.00 1.00 H new ATOM 0 HZ1 LYS A 47 118.167 0.093 -8.807 1.00 1.00 H new ATOM 0 HZ2 LYS A 47 117.088 1.382 -9.048 1.00 1.00 H new ATOM 0 HZ3 LYS A 47 116.587 -0.213 -9.349 1.00 1.00 H new ATOM 691 N SER A 48 113.839 -0.205 -12.947 1.00 1.00 N ATOM 692 CA SER A 48 113.322 -0.281 -14.316 1.00 1.00 C ATOM 693 C SER A 48 112.471 -1.524 -14.575 1.00 1.00 C ATOM 694 O SER A 48 111.856 -1.638 -15.636 1.00 1.00 O ATOM 695 CB SER A 48 114.499 -0.273 -15.285 1.00 1.00 C ATOM 696 OG SER A 48 115.128 1.001 -15.249 1.00 1.00 O ATOM 0 H SER A 48 114.575 -0.877 -12.730 1.00 1.00 H new ATOM 0 HA SER A 48 112.673 0.582 -14.464 1.00 1.00 H new ATOM 0 HB2 SER A 48 115.213 -1.051 -15.015 1.00 1.00 H new ATOM 0 HB3 SER A 48 114.155 -0.493 -16.295 1.00 1.00 H new ATOM 0 HG SER A 48 115.886 1.009 -15.870 1.00 1.00 H new ATOM 702 N ASP A 49 112.423 -2.453 -13.627 1.00 1.00 N ATOM 703 CA ASP A 49 111.617 -3.666 -13.821 1.00 1.00 C ATOM 704 C ASP A 49 110.195 -3.408 -13.357 1.00 1.00 C ATOM 705 O ASP A 49 109.939 -2.429 -12.658 1.00 1.00 O ATOM 706 CB ASP A 49 112.224 -4.836 -13.058 1.00 1.00 C ATOM 707 CG ASP A 49 113.513 -5.289 -13.736 1.00 1.00 C ATOM 708 OD1 ASP A 49 114.236 -6.063 -13.129 1.00 1.00 O ATOM 709 OD2 ASP A 49 113.758 -4.856 -14.849 1.00 1.00 O ATOM 0 H ASP A 49 112.917 -2.399 -12.736 1.00 1.00 H new ATOM 0 HA ASP A 49 111.605 -3.923 -14.880 1.00 1.00 H new ATOM 0 HB2 ASP A 49 112.429 -4.542 -12.028 1.00 1.00 H new ATOM 0 HB3 ASP A 49 111.514 -5.662 -13.019 1.00 1.00 H new ATOM 714 N THR A 50 109.261 -4.278 -13.745 1.00 1.00 N ATOM 715 CA THR A 50 107.861 -4.105 -13.350 1.00 1.00 C ATOM 716 C THR A 50 107.522 -5.042 -12.213 1.00 1.00 C ATOM 717 O THR A 50 108.128 -6.101 -12.059 1.00 1.00 O ATOM 718 CB THR A 50 106.918 -4.310 -14.543 1.00 1.00 C ATOM 719 OG1 THR A 50 107.423 -3.629 -15.678 1.00 1.00 O ATOM 720 CG2 THR A 50 105.527 -3.789 -14.212 1.00 1.00 C ATOM 0 H THR A 50 109.443 -5.098 -14.324 1.00 1.00 H new ATOM 0 HA THR A 50 107.724 -3.081 -13.003 1.00 1.00 H new ATOM 0 HB THR A 50 106.854 -5.376 -14.759 1.00 1.00 H new ATOM 0 HG1 THR A 50 106.818 -3.765 -16.437 1.00 1.00 H new ATOM 0 HG21 THR A 50 104.869 -3.941 -15.067 1.00 1.00 H new ATOM 0 HG22 THR A 50 105.132 -4.327 -13.350 1.00 1.00 H new ATOM 0 HG23 THR A 50 105.582 -2.725 -13.981 1.00 1.00 H new ATOM 728 N VAL A 51 106.577 -4.612 -11.383 1.00 1.00 N ATOM 729 CA VAL A 51 106.186 -5.378 -10.207 1.00 1.00 C ATOM 730 C VAL A 51 104.686 -5.591 -10.143 1.00 1.00 C ATOM 731 O VAL A 51 103.927 -4.850 -10.751 1.00 1.00 O ATOM 732 CB VAL A 51 106.651 -4.625 -8.952 1.00 1.00 C ATOM 733 CG1 VAL A 51 105.743 -3.440 -8.619 1.00 1.00 C ATOM 734 CG2 VAL A 51 106.702 -5.597 -7.781 1.00 1.00 C ATOM 0 H VAL A 51 106.068 -3.736 -11.504 1.00 1.00 H new ATOM 0 HA VAL A 51 106.655 -6.360 -10.266 1.00 1.00 H new ATOM 0 HB VAL A 51 107.643 -4.218 -9.147 1.00 1.00 H new ATOM 0 HG11 VAL A 51 106.112 -2.939 -7.724 1.00 1.00 H new ATOM 0 HG12 VAL A 51 105.740 -2.738 -9.453 1.00 1.00 H new ATOM 0 HG13 VAL A 51 104.729 -3.797 -8.442 1.00 1.00 H new ATOM 0 HG21 VAL A 51 107.031 -5.071 -6.885 1.00 1.00 H new ATOM 0 HG22 VAL A 51 105.710 -6.015 -7.612 1.00 1.00 H new ATOM 0 HG23 VAL A 51 107.401 -6.402 -8.007 1.00 1.00 H new ATOM 738 N THR A 52 104.273 -6.594 -9.366 1.00 1.00 N ATOM 739 CA THR A 52 102.852 -6.888 -9.176 1.00 1.00 C ATOM 740 C THR A 52 102.578 -7.004 -7.674 1.00 1.00 C ATOM 741 O THR A 52 103.209 -7.812 -6.994 1.00 1.00 O ATOM 742 CB THR A 52 102.516 -8.198 -9.881 1.00 1.00 C ATOM 743 OG1 THR A 52 102.760 -8.064 -11.273 1.00 1.00 O ATOM 744 CG2 THR A 52 101.056 -8.551 -9.650 1.00 1.00 C ATOM 0 H THR A 52 104.902 -7.216 -8.858 1.00 1.00 H new ATOM 0 HA THR A 52 102.234 -6.095 -9.596 1.00 1.00 H new ATOM 0 HB THR A 52 103.143 -8.993 -9.477 1.00 1.00 H new ATOM 0 HG1 THR A 52 103.118 -8.906 -11.625 1.00 1.00 H new ATOM 0 HG21 THR A 52 100.824 -9.488 -10.157 1.00 1.00 H new ATOM 0 HG22 THR A 52 100.873 -8.661 -8.581 1.00 1.00 H new ATOM 0 HG23 THR A 52 100.423 -7.757 -10.046 1.00 1.00 H new ATOM 752 N VAL A 53 101.678 -6.163 -7.141 1.00 1.00 N ATOM 753 CA VAL A 53 101.415 -6.172 -5.691 1.00 1.00 C ATOM 754 C VAL A 53 99.976 -5.786 -5.319 1.00 1.00 C ATOM 755 O VAL A 53 99.270 -5.157 -6.108 1.00 1.00 O ATOM 756 CB VAL A 53 102.343 -5.134 -5.038 1.00 1.00 C ATOM 757 CG1 VAL A 53 103.787 -5.380 -5.469 1.00 1.00 C ATOM 758 CG2 VAL A 53 101.937 -3.687 -5.456 1.00 1.00 C ATOM 0 H VAL A 53 101.133 -5.485 -7.674 1.00 1.00 H new ATOM 0 HA VAL A 53 101.585 -7.191 -5.344 1.00 1.00 H new ATOM 0 HB VAL A 53 102.252 -5.236 -3.957 1.00 1.00 H new ATOM 0 HG11 VAL A 53 104.437 -4.640 -5.002 1.00 1.00 H new ATOM 0 HG12 VAL A 53 104.094 -6.379 -5.160 1.00 1.00 H new ATOM 0 HG13 VAL A 53 103.862 -5.296 -6.553 1.00 1.00 H new ATOM 0 HG21 VAL A 53 102.607 -2.970 -4.982 1.00 1.00 H new ATOM 0 HG22 VAL A 53 102.007 -3.588 -6.539 1.00 1.00 H new ATOM 0 HG23 VAL A 53 100.913 -3.491 -5.139 1.00 1.00 H new ATOM 762 N GLU A 54 99.602 -6.052 -4.053 1.00 1.00 N ATOM 763 CA GLU A 54 98.294 -5.616 -3.520 1.00 1.00 C ATOM 764 C GLU A 54 98.612 -4.671 -2.363 1.00 1.00 C ATOM 765 O GLU A 54 99.669 -4.812 -1.747 1.00 1.00 O ATOM 766 CB GLU A 54 97.413 -6.766 -2.980 1.00 1.00 C ATOM 767 CG GLU A 54 97.445 -8.015 -3.882 1.00 1.00 C ATOM 768 CD GLU A 54 97.256 -9.292 -3.059 1.00 1.00 C ATOM 769 OE1 GLU A 54 97.495 -10.359 -3.602 1.00 1.00 O ATOM 770 OE2 GLU A 54 96.864 -9.187 -1.909 1.00 1.00 O ATOM 0 H GLU A 54 100.180 -6.562 -3.385 1.00 1.00 H new ATOM 0 HA GLU A 54 97.726 -5.160 -4.331 1.00 1.00 H new ATOM 0 HB2 GLU A 54 97.750 -7.037 -1.979 1.00 1.00 H new ATOM 0 HB3 GLU A 54 96.385 -6.417 -2.886 1.00 1.00 H new ATOM 0 HG2 GLU A 54 96.660 -7.944 -4.635 1.00 1.00 H new ATOM 0 HG3 GLU A 54 98.395 -8.059 -4.415 1.00 1.00 H new ATOM 777 N TYR A 55 97.769 -3.674 -2.073 1.00 1.00 N ATOM 778 CA TYR A 55 98.132 -2.752 -1.007 1.00 1.00 C ATOM 779 C TYR A 55 96.968 -1.912 -0.476 1.00 1.00 C ATOM 780 O TYR A 55 95.961 -1.722 -1.150 1.00 1.00 O ATOM 781 CB TYR A 55 99.152 -1.800 -1.599 1.00 1.00 C ATOM 782 CG TYR A 55 98.518 -1.195 -2.835 1.00 1.00 C ATOM 783 CD1 TYR A 55 97.704 -0.062 -2.723 1.00 1.00 C ATOM 784 CD2 TYR A 55 98.693 -1.799 -4.083 1.00 1.00 C ATOM 785 CE1 TYR A 55 97.065 0.469 -3.852 1.00 1.00 C ATOM 786 CE2 TYR A 55 98.062 -1.264 -5.214 1.00 1.00 C ATOM 787 CZ TYR A 55 97.245 -0.134 -5.098 1.00 1.00 C ATOM 788 OH TYR A 55 96.618 0.384 -6.213 1.00 1.00 O ATOM 0 H TYR A 55 96.878 -3.494 -2.536 1.00 1.00 H new ATOM 0 HA TYR A 55 98.497 -3.341 -0.166 1.00 1.00 H new ATOM 0 HB2 TYR A 55 99.419 -1.024 -0.882 1.00 1.00 H new ATOM 0 HB3 TYR A 55 100.071 -2.328 -1.854 1.00 1.00 H new ATOM 0 HD1 TYR A 55 97.567 0.407 -1.760 1.00 1.00 H new ATOM 0 HD2 TYR A 55 99.314 -2.678 -4.176 1.00 1.00 H new ATOM 0 HE1 TYR A 55 96.436 1.342 -3.758 1.00 1.00 H new ATOM 0 HE2 TYR A 55 98.207 -1.726 -6.179 1.00 1.00 H new ATOM 0 HH TYR A 55 96.850 -0.154 -6.998 1.00 1.00 H new ATOM 798 N THR A 56 97.171 -1.338 0.721 1.00 1.00 N ATOM 799 CA THR A 56 96.191 -0.423 1.323 1.00 1.00 C ATOM 800 C THR A 56 96.893 0.887 1.631 1.00 1.00 C ATOM 801 O THR A 56 97.973 0.895 2.191 1.00 1.00 O ATOM 802 CB THR A 56 95.489 -1.016 2.567 1.00 1.00 C ATOM 803 OG1 THR A 56 94.409 -1.830 2.144 1.00 1.00 O ATOM 804 CG2 THR A 56 94.914 0.090 3.465 1.00 1.00 C ATOM 0 H THR A 56 98.004 -1.492 1.289 1.00 1.00 H new ATOM 0 HA THR A 56 95.385 -0.252 0.610 1.00 1.00 H new ATOM 0 HB THR A 56 96.228 -1.588 3.128 1.00 1.00 H new ATOM 0 HG1 THR A 56 94.221 -2.506 2.828 1.00 1.00 H new ATOM 0 HG21 THR A 56 94.427 -0.360 4.330 1.00 1.00 H new ATOM 0 HG22 THR A 56 95.720 0.742 3.801 1.00 1.00 H new ATOM 0 HG23 THR A 56 94.186 0.674 2.902 1.00 1.00 H new ATOM 812 N GLY A 57 96.286 2.000 1.238 1.00 1.00 N ATOM 813 CA GLY A 57 96.902 3.315 1.463 1.00 1.00 C ATOM 814 C GLY A 57 96.045 4.180 2.369 1.00 1.00 C ATOM 815 O GLY A 57 94.823 4.220 2.228 1.00 1.00 O ATOM 0 H GLY A 57 95.381 2.027 0.768 1.00 1.00 H new ATOM 0 HA2 GLY A 57 97.888 3.185 1.908 1.00 1.00 H new ATOM 0 HA3 GLY A 57 97.047 3.819 0.507 1.00 1.00 H new ATOM 819 N ARG A 58 96.689 4.885 3.307 1.00 1.00 N ATOM 820 CA ARG A 58 95.953 5.745 4.219 1.00 1.00 C ATOM 821 C ARG A 58 96.756 6.968 4.628 1.00 1.00 C ATOM 822 O ARG A 58 97.968 7.044 4.428 1.00 1.00 O ATOM 823 CB ARG A 58 95.524 4.969 5.472 1.00 1.00 C ATOM 824 CG ARG A 58 96.726 4.727 6.423 1.00 1.00 C ATOM 825 CD ARG A 58 96.248 4.215 7.795 1.00 1.00 C ATOM 826 NE ARG A 58 96.304 2.757 7.837 1.00 1.00 N ATOM 827 CZ ARG A 58 95.241 1.999 7.568 1.00 1.00 C ATOM 828 NH1 ARG A 58 94.109 2.547 7.219 1.00 1.00 N ATOM 829 NH2 ARG A 58 95.342 0.700 7.642 1.00 1.00 N ATOM 0 H ARG A 58 97.699 4.873 3.447 1.00 1.00 H new ATOM 0 HA ARG A 58 95.068 6.087 3.682 1.00 1.00 H new ATOM 0 HB2 ARG A 58 94.747 5.524 5.998 1.00 1.00 H new ATOM 0 HB3 ARG A 58 95.090 4.013 5.180 1.00 1.00 H new ATOM 0 HG2 ARG A 58 97.407 4.002 5.977 1.00 1.00 H new ATOM 0 HG3 ARG A 58 97.286 5.654 6.551 1.00 1.00 H new ATOM 0 HD2 ARG A 58 96.872 4.633 8.585 1.00 1.00 H new ATOM 0 HD3 ARG A 58 95.229 4.552 7.982 1.00 1.00 H new ATOM 0 HE ARG A 58 97.185 2.304 8.080 1.00 1.00 H new ATOM 0 HH11 ARG A 58 94.033 3.562 7.151 1.00 1.00 H new ATOM 0 HH12 ARG A 58 93.300 1.960 7.015 1.00 1.00 H new ATOM 0 HH21 ARG A 58 96.230 0.272 7.904 1.00 1.00 H new ATOM 0 HH22 ARG A 58 94.533 0.113 7.438 1.00 1.00 H new ATOM 843 N LEU A 59 96.052 7.901 5.250 1.00 1.00 N ATOM 844 CA LEU A 59 96.658 9.122 5.763 1.00 1.00 C ATOM 845 C LEU A 59 97.230 8.869 7.156 1.00 1.00 C ATOM 846 O LEU A 59 96.891 7.886 7.815 1.00 1.00 O ATOM 847 CB LEU A 59 95.586 10.226 5.851 1.00 1.00 C ATOM 848 CG LEU A 59 95.643 11.175 4.642 1.00 1.00 C ATOM 849 CD1 LEU A 59 95.036 10.505 3.419 1.00 1.00 C ATOM 850 CD2 LEU A 59 94.858 12.460 4.938 1.00 1.00 C ATOM 0 H LEU A 59 95.047 7.835 5.414 1.00 1.00 H new ATOM 0 HA LEU A 59 97.459 9.435 5.093 1.00 1.00 H new ATOM 0 HB2 LEU A 59 94.598 9.769 5.908 1.00 1.00 H new ATOM 0 HB3 LEU A 59 95.727 10.797 6.769 1.00 1.00 H new ATOM 0 HG LEU A 59 96.688 11.418 4.449 1.00 1.00 H new ATOM 0 HD11 LEU A 59 95.082 11.187 2.570 1.00 1.00 H new ATOM 0 HD12 LEU A 59 95.594 9.598 3.187 1.00 1.00 H new ATOM 0 HD13 LEU A 59 93.996 10.249 3.623 1.00 1.00 H new ATOM 0 HD21 LEU A 59 94.906 13.123 4.074 1.00 1.00 H new ATOM 0 HD22 LEU A 59 93.818 12.211 5.146 1.00 1.00 H new ATOM 0 HD23 LEU A 59 95.292 12.960 5.804 1.00 1.00 H new ATOM 862 N ILE A 60 98.070 9.786 7.597 1.00 1.00 N ATOM 863 CA ILE A 60 98.665 9.695 8.923 1.00 1.00 C ATOM 864 C ILE A 60 97.579 9.699 9.982 1.00 1.00 C ATOM 865 O ILE A 60 97.759 9.219 11.100 1.00 1.00 O ATOM 866 CB ILE A 60 99.602 10.890 9.181 1.00 1.00 C ATOM 867 CG1 ILE A 60 98.840 12.222 9.420 1.00 1.00 C ATOM 868 CG2 ILE A 60 100.548 11.075 8.006 1.00 1.00 C ATOM 869 CD1 ILE A 60 98.090 12.684 8.178 1.00 1.00 C ATOM 0 H ILE A 60 98.358 10.603 7.059 1.00 1.00 H new ATOM 0 HA ILE A 60 99.235 8.767 8.973 1.00 1.00 H new ATOM 0 HB ILE A 60 100.153 10.654 10.091 1.00 1.00 H new ATOM 0 HG12 ILE A 60 98.135 12.094 10.242 1.00 1.00 H new ATOM 0 HG13 ILE A 60 99.547 12.994 9.724 1.00 1.00 H new ATOM 0 HG21 ILE A 60 101.206 11.922 8.199 1.00 1.00 H new ATOM 0 HG22 ILE A 60 101.146 10.173 7.875 1.00 1.00 H new ATOM 0 HG23 ILE A 60 99.971 11.262 7.100 1.00 1.00 H new ATOM 0 HD11 ILE A 60 97.572 13.619 8.392 1.00 1.00 H new ATOM 0 HD12 ILE A 60 98.797 12.839 7.363 1.00 1.00 H new ATOM 0 HD13 ILE A 60 97.363 11.925 7.888 1.00 1.00 H new ATOM 876 N ASP A 61 96.472 10.301 9.605 1.00 1.00 N ATOM 877 CA ASP A 61 95.326 10.466 10.487 1.00 1.00 C ATOM 878 C ASP A 61 94.334 9.320 10.344 1.00 1.00 C ATOM 879 O ASP A 61 93.289 9.315 10.994 1.00 1.00 O ATOM 880 CB ASP A 61 94.648 11.792 10.159 1.00 1.00 C ATOM 881 CG ASP A 61 93.620 12.138 11.231 1.00 1.00 C ATOM 882 OD1 ASP A 61 93.642 11.503 12.272 1.00 1.00 O ATOM 883 OD2 ASP A 61 92.825 13.034 10.994 1.00 1.00 O ATOM 0 H ASP A 61 96.336 10.694 8.673 1.00 1.00 H new ATOM 0 HA ASP A 61 95.675 10.462 11.520 1.00 1.00 H new ATOM 0 HB2 ASP A 61 95.394 12.583 10.092 1.00 1.00 H new ATOM 0 HB3 ASP A 61 94.162 11.729 9.186 1.00 1.00 H new ATOM 888 N GLY A 62 94.672 8.338 9.513 1.00 1.00 N ATOM 889 CA GLY A 62 93.801 7.180 9.325 1.00 1.00 C ATOM 890 C GLY A 62 92.811 7.359 8.174 1.00 1.00 C ATOM 891 O GLY A 62 92.050 6.438 7.874 1.00 1.00 O ATOM 0 H GLY A 62 95.532 8.319 8.965 1.00 1.00 H new ATOM 0 HA2 GLY A 62 94.413 6.298 9.137 1.00 1.00 H new ATOM 0 HA3 GLY A 62 93.249 6.994 10.246 1.00 1.00 H new ATOM 895 N THR A 63 92.810 8.519 7.523 1.00 1.00 N ATOM 896 CA THR A 63 91.882 8.721 6.411 1.00 1.00 C ATOM 897 C THR A 63 92.296 7.864 5.225 1.00 1.00 C ATOM 898 O THR A 63 93.233 8.203 4.502 1.00 1.00 O ATOM 899 CB THR A 63 91.839 10.191 5.977 1.00 1.00 C ATOM 900 OG1 THR A 63 91.832 11.031 7.123 1.00 1.00 O ATOM 901 CG2 THR A 63 90.582 10.435 5.147 1.00 1.00 C ATOM 0 H THR A 63 93.418 9.310 7.735 1.00 1.00 H new ATOM 0 HA THR A 63 90.889 8.430 6.753 1.00 1.00 H new ATOM 0 HB THR A 63 92.720 10.419 5.377 1.00 1.00 H new ATOM 0 HG1 THR A 63 91.806 11.969 6.841 1.00 1.00 H new ATOM 0 HG21 THR A 63 90.548 11.479 4.837 1.00 1.00 H new ATOM 0 HG22 THR A 63 90.598 9.795 4.265 1.00 1.00 H new ATOM 0 HG23 THR A 63 89.700 10.206 5.746 1.00 1.00 H new ATOM 909 N VAL A 64 91.595 6.754 5.026 1.00 1.00 N ATOM 910 CA VAL A 64 91.914 5.872 3.915 1.00 1.00 C ATOM 911 C VAL A 64 91.479 6.490 2.615 1.00 1.00 C ATOM 912 O VAL A 64 90.304 6.790 2.408 1.00 1.00 O ATOM 913 CB VAL A 64 91.276 4.500 4.114 1.00 1.00 C ATOM 914 CG1 VAL A 64 91.638 3.565 2.954 1.00 1.00 C ATOM 915 CG2 VAL A 64 91.803 3.914 5.413 1.00 1.00 C ATOM 0 H VAL A 64 90.816 6.449 5.609 1.00 1.00 H new ATOM 0 HA VAL A 64 92.995 5.734 3.880 1.00 1.00 H new ATOM 0 HB VAL A 64 90.192 4.605 4.149 1.00 1.00 H new ATOM 0 HG11 VAL A 64 91.174 2.591 3.113 1.00 1.00 H new ATOM 0 HG12 VAL A 64 91.277 3.990 2.018 1.00 1.00 H new ATOM 0 HG13 VAL A 64 92.721 3.448 2.906 1.00 1.00 H new ATOM 0 HG21 VAL A 64 91.359 2.932 5.575 1.00 1.00 H new ATOM 0 HG22 VAL A 64 92.887 3.817 5.355 1.00 1.00 H new ATOM 0 HG23 VAL A 64 91.541 4.572 6.242 1.00 1.00 H new ATOM 919 N PHE A 65 92.461 6.692 1.741 1.00 1.00 N ATOM 920 CA PHE A 65 92.207 7.303 0.441 1.00 1.00 C ATOM 921 C PHE A 65 92.472 6.337 -0.703 1.00 1.00 C ATOM 922 O PHE A 65 92.132 6.614 -1.852 1.00 1.00 O ATOM 923 CB PHE A 65 93.053 8.559 0.303 1.00 1.00 C ATOM 924 CG PHE A 65 94.511 8.232 0.070 1.00 1.00 C ATOM 925 CD1 PHE A 65 95.298 7.788 1.133 1.00 1.00 C ATOM 926 CD2 PHE A 65 95.082 8.412 -1.194 1.00 1.00 C ATOM 927 CE1 PHE A 65 96.658 7.522 0.940 1.00 1.00 C ATOM 928 CE2 PHE A 65 96.443 8.142 -1.388 1.00 1.00 C ATOM 929 CZ PHE A 65 97.230 7.699 -0.321 1.00 1.00 C ATOM 0 H PHE A 65 93.436 6.443 1.909 1.00 1.00 H new ATOM 0 HA PHE A 65 91.151 7.569 0.385 1.00 1.00 H new ATOM 0 HB2 PHE A 65 92.679 9.160 -0.526 1.00 1.00 H new ATOM 0 HB3 PHE A 65 92.956 9.163 1.205 1.00 1.00 H new ATOM 0 HD1 PHE A 65 94.856 7.649 2.108 1.00 1.00 H new ATOM 0 HD2 PHE A 65 94.476 8.758 -2.018 1.00 1.00 H new ATOM 0 HE1 PHE A 65 97.265 7.180 1.766 1.00 1.00 H new ATOM 0 HE2 PHE A 65 96.885 8.276 -2.364 1.00 1.00 H new ATOM 0 HZ PHE A 65 98.280 7.494 -0.472 1.00 1.00 H new ATOM 939 N ASP A 66 93.048 5.191 -0.376 1.00 1.00 N ATOM 940 CA ASP A 66 93.317 4.167 -1.382 1.00 1.00 C ATOM 941 C ASP A 66 93.390 2.788 -0.740 1.00 1.00 C ATOM 942 O ASP A 66 93.852 2.638 0.391 1.00 1.00 O ATOM 943 CB ASP A 66 94.623 4.456 -2.158 1.00 1.00 C ATOM 944 CG ASP A 66 95.650 5.159 -1.270 1.00 1.00 C ATOM 945 OD1 ASP A 66 95.378 5.340 -0.096 1.00 1.00 O ATOM 946 OD2 ASP A 66 96.700 5.506 -1.785 1.00 1.00 O ATOM 0 H ASP A 66 93.338 4.944 0.570 1.00 1.00 H new ATOM 0 HA ASP A 66 92.490 4.187 -2.092 1.00 1.00 H new ATOM 0 HB2 ASP A 66 95.041 3.522 -2.532 1.00 1.00 H new ATOM 0 HB3 ASP A 66 94.403 5.077 -3.026 1.00 1.00 H new ATOM 951 N SER A 67 92.945 1.777 -1.485 1.00 1.00 N ATOM 952 CA SER A 67 92.983 0.410 -0.987 1.00 1.00 C ATOM 953 C SER A 67 92.964 -0.604 -2.124 1.00 1.00 C ATOM 954 O SER A 67 92.408 -0.349 -3.193 1.00 1.00 O ATOM 955 CB SER A 67 91.830 0.163 -0.022 1.00 1.00 C ATOM 956 OG SER A 67 90.598 0.205 -0.727 1.00 1.00 O ATOM 0 H SER A 67 92.559 1.880 -2.424 1.00 1.00 H new ATOM 0 HA SER A 67 93.922 0.278 -0.450 1.00 1.00 H new ATOM 0 HB2 SER A 67 91.950 -0.806 0.462 1.00 1.00 H new ATOM 0 HB3 SER A 67 91.835 0.916 0.766 1.00 1.00 H new ATOM 0 HG SER A 67 89.859 0.044 -0.104 1.00 1.00 H new ATOM 962 N THR A 68 93.590 -1.757 -1.883 1.00 1.00 N ATOM 963 CA THR A 68 93.658 -2.812 -2.896 1.00 1.00 C ATOM 964 C THR A 68 93.868 -4.172 -2.249 1.00 1.00 C ATOM 965 O THR A 68 93.279 -5.165 -2.662 1.00 1.00 O ATOM 966 CB THR A 68 94.815 -2.543 -3.859 1.00 1.00 C ATOM 967 OG1 THR A 68 94.624 -1.289 -4.497 1.00 1.00 O ATOM 968 CG2 THR A 68 94.881 -3.652 -4.905 1.00 1.00 C ATOM 0 H THR A 68 94.054 -1.983 -1.003 1.00 1.00 H new ATOM 0 HA THR A 68 92.713 -2.814 -3.439 1.00 1.00 H new ATOM 0 HB THR A 68 95.751 -2.521 -3.301 1.00 1.00 H new ATOM 0 HG1 THR A 68 95.395 -0.711 -4.320 1.00 1.00 H new ATOM 0 HG21 THR A 68 95.706 -3.458 -5.590 1.00 1.00 H new ATOM 0 HG22 THR A 68 95.038 -4.610 -4.410 1.00 1.00 H new ATOM 0 HG23 THR A 68 93.945 -3.681 -5.464 1.00 1.00 H new ATOM 976 N GLU A 69 94.713 -4.212 -1.234 1.00 1.00 N ATOM 977 CA GLU A 69 94.985 -5.461 -0.546 1.00 1.00 C ATOM 978 C GLU A 69 93.729 -5.975 0.120 1.00 1.00 C ATOM 979 O GLU A 69 93.568 -7.180 0.310 1.00 1.00 O ATOM 980 CB GLU A 69 96.133 -5.301 0.431 1.00 1.00 C ATOM 981 CG GLU A 69 95.823 -4.224 1.447 1.00 1.00 C ATOM 982 CD GLU A 69 94.860 -4.745 2.509 1.00 1.00 C ATOM 983 OE1 GLU A 69 94.292 -3.929 3.214 1.00 1.00 O ATOM 984 OE2 GLU A 69 94.707 -5.952 2.603 1.00 1.00 O ATOM 0 H GLU A 69 95.218 -3.403 -0.871 1.00 1.00 H new ATOM 0 HA GLU A 69 95.297 -6.208 -1.276 1.00 1.00 H new ATOM 0 HB2 GLU A 69 96.318 -6.247 0.941 1.00 1.00 H new ATOM 0 HB3 GLU A 69 97.045 -5.047 -0.110 1.00 1.00 H new ATOM 0 HG2 GLU A 69 96.745 -3.887 1.920 1.00 1.00 H new ATOM 0 HG3 GLU A 69 95.387 -3.360 0.946 1.00 1.00 H new ATOM 991 N LYS A 70 92.820 -5.064 0.447 1.00 1.00 N ATOM 992 CA LYS A 70 91.573 -5.474 1.055 1.00 1.00 C ATOM 993 C LYS A 70 90.912 -6.484 0.133 1.00 1.00 C ATOM 994 O LYS A 70 90.445 -7.538 0.566 1.00 1.00 O ATOM 995 CB LYS A 70 90.664 -4.263 1.256 1.00 1.00 C ATOM 996 CG LYS A 70 91.339 -3.285 2.208 1.00 1.00 C ATOM 997 CD LYS A 70 91.363 -3.853 3.636 1.00 1.00 C ATOM 998 CE LYS A 70 91.683 -2.733 4.620 1.00 1.00 C ATOM 999 NZ LYS A 70 91.669 -3.271 6.009 1.00 1.00 N ATOM 0 H LYS A 70 92.924 -4.060 0.303 1.00 1.00 H new ATOM 0 HA LYS A 70 91.756 -5.922 2.031 1.00 1.00 H new ATOM 0 HB2 LYS A 70 90.465 -3.780 0.300 1.00 1.00 H new ATOM 0 HB3 LYS A 70 89.702 -4.578 1.660 1.00 1.00 H new ATOM 0 HG2 LYS A 70 92.357 -3.086 1.873 1.00 1.00 H new ATOM 0 HG3 LYS A 70 90.808 -2.333 2.198 1.00 1.00 H new ATOM 0 HD2 LYS A 70 90.399 -4.300 3.878 1.00 1.00 H new ATOM 0 HD3 LYS A 70 92.109 -4.644 3.712 1.00 1.00 H new ATOM 0 HE2 LYS A 70 92.660 -2.305 4.395 1.00 1.00 H new ATOM 0 HE3 LYS A 70 90.953 -1.930 4.523 1.00 1.00 H new ATOM 0 HZ1 LYS A 70 91.887 -2.507 6.680 1.00 1.00 H new ATOM 0 HZ2 LYS A 70 90.728 -3.660 6.221 1.00 1.00 H new ATOM 0 HZ3 LYS A 70 92.382 -4.023 6.097 1.00 1.00 H new ATOM 1013 N THR A 71 90.939 -6.166 -1.153 1.00 1.00 N ATOM 1014 CA THR A 71 90.405 -7.058 -2.168 1.00 1.00 C ATOM 1015 C THR A 71 91.369 -8.224 -2.343 1.00 1.00 C ATOM 1016 O THR A 71 90.965 -9.358 -2.601 1.00 1.00 O ATOM 1017 CB THR A 71 90.253 -6.321 -3.499 1.00 1.00 C ATOM 1018 OG1 THR A 71 91.527 -5.912 -3.968 1.00 1.00 O ATOM 1019 CG2 THR A 71 89.361 -5.093 -3.308 1.00 1.00 C ATOM 0 H THR A 71 91.326 -5.295 -1.517 1.00 1.00 H new ATOM 0 HA THR A 71 89.424 -7.417 -1.856 1.00 1.00 H new ATOM 0 HB THR A 71 89.797 -6.990 -4.229 1.00 1.00 H new ATOM 0 HG1 THR A 71 91.956 -5.342 -3.296 1.00 1.00 H new ATOM 0 HG21 THR A 71 89.254 -4.569 -4.258 1.00 1.00 H new ATOM 0 HG22 THR A 71 88.379 -5.408 -2.955 1.00 1.00 H new ATOM 0 HG23 THR A 71 89.813 -4.425 -2.575 1.00 1.00 H new ATOM 1027 N GLY A 72 92.659 -7.917 -2.196 1.00 1.00 N ATOM 1028 CA GLY A 72 93.707 -8.916 -2.327 1.00 1.00 C ATOM 1029 C GLY A 72 94.070 -9.136 -3.784 1.00 1.00 C ATOM 1030 O GLY A 72 94.707 -10.131 -4.129 1.00 1.00 O ATOM 0 H GLY A 72 92.998 -6.978 -1.985 1.00 1.00 H new ATOM 0 HA2 GLY A 72 94.590 -8.597 -1.773 1.00 1.00 H new ATOM 0 HA3 GLY A 72 93.376 -9.856 -1.885 1.00 1.00 H new ATOM 1034 N LYS A 73 93.662 -8.203 -4.645 1.00 1.00 N ATOM 1035 CA LYS A 73 93.960 -8.323 -6.080 1.00 1.00 C ATOM 1036 C LYS A 73 95.183 -7.477 -6.449 1.00 1.00 C ATOM 1037 O LYS A 73 95.155 -6.256 -6.298 1.00 1.00 O ATOM 1038 CB LYS A 73 92.738 -7.870 -6.909 1.00 1.00 C ATOM 1039 CG LYS A 73 91.714 -9.019 -7.087 1.00 1.00 C ATOM 1040 CD LYS A 73 90.622 -8.940 -6.010 1.00 1.00 C ATOM 1041 CE LYS A 73 89.835 -10.261 -5.963 1.00 1.00 C ATOM 1042 NZ LYS A 73 89.897 -10.937 -7.291 1.00 1.00 N ATOM 0 H LYS A 73 93.134 -7.370 -4.385 1.00 1.00 H new ATOM 0 HA LYS A 73 94.180 -9.367 -6.303 1.00 1.00 H new ATOM 0 HB2 LYS A 73 92.256 -7.025 -6.417 1.00 1.00 H new ATOM 0 HB3 LYS A 73 93.070 -7.522 -7.887 1.00 1.00 H new ATOM 0 HG2 LYS A 73 91.261 -8.960 -8.077 1.00 1.00 H new ATOM 0 HG3 LYS A 73 92.224 -9.981 -7.026 1.00 1.00 H new ATOM 0 HD2 LYS A 73 91.072 -8.740 -5.038 1.00 1.00 H new ATOM 0 HD3 LYS A 73 89.947 -8.112 -6.225 1.00 1.00 H new ATOM 0 HE2 LYS A 73 90.248 -10.913 -5.194 1.00 1.00 H new ATOM 0 HE3 LYS A 73 88.797 -10.067 -5.692 1.00 1.00 H new ATOM 0 HZ1 LYS A 73 89.183 -11.692 -7.330 1.00 1.00 H new ATOM 0 HZ2 LYS A 73 89.709 -10.243 -8.043 1.00 1.00 H new ATOM 0 HZ3 LYS A 73 90.843 -11.347 -7.428 1.00 1.00 H new ATOM 1056 N PRO A 74 96.276 -8.090 -6.898 1.00 1.00 N ATOM 1057 CA PRO A 74 97.510 -7.336 -7.240 1.00 1.00 C ATOM 1058 C PRO A 74 97.335 -6.309 -8.355 1.00 1.00 C ATOM 1059 O PRO A 74 96.487 -6.448 -9.238 1.00 1.00 O ATOM 1060 CB PRO A 74 98.520 -8.419 -7.658 1.00 1.00 C ATOM 1061 CG PRO A 74 97.985 -9.687 -7.110 1.00 1.00 C ATOM 1062 CD PRO A 74 96.487 -9.540 -7.127 1.00 1.00 C ATOM 0 HA PRO A 74 97.830 -6.740 -6.385 1.00 1.00 H new ATOM 0 HB2 PRO A 74 98.616 -8.469 -8.743 1.00 1.00 H new ATOM 0 HB3 PRO A 74 99.512 -8.206 -7.260 1.00 1.00 H new ATOM 0 HG2 PRO A 74 98.301 -10.538 -7.713 1.00 1.00 H new ATOM 0 HG3 PRO A 74 98.350 -9.860 -6.098 1.00 1.00 H new ATOM 0 HD2 PRO A 74 96.063 -9.861 -8.079 1.00 1.00 H new ATOM 0 HD3 PRO A 74 96.016 -10.141 -6.349 1.00 1.00 H new ATOM 1070 N ALA A 75 98.192 -5.295 -8.304 1.00 1.00 N ATOM 1071 CA ALA A 75 98.222 -4.223 -9.300 1.00 1.00 C ATOM 1072 C ALA A 75 99.638 -4.155 -9.870 1.00 1.00 C ATOM 1073 O ALA A 75 100.588 -4.508 -9.174 1.00 1.00 O ATOM 1074 CB ALA A 75 97.859 -2.879 -8.657 1.00 1.00 C ATOM 0 H ALA A 75 98.890 -5.191 -7.568 1.00 1.00 H new ATOM 0 HA ALA A 75 97.497 -4.427 -10.087 1.00 1.00 H new ATOM 0 HB1 ALA A 75 97.887 -2.095 -9.413 1.00 1.00 H new ATOM 0 HB2 ALA A 75 96.857 -2.938 -8.232 1.00 1.00 H new ATOM 0 HB3 ALA A 75 98.575 -2.648 -7.868 1.00 1.00 H new ATOM 1080 N THR A 76 99.792 -3.725 -11.126 1.00 1.00 N ATOM 1081 CA THR A 76 101.127 -3.661 -11.738 1.00 1.00 C ATOM 1082 C THR A 76 101.613 -2.236 -11.958 1.00 1.00 C ATOM 1083 O THR A 76 100.897 -1.383 -12.481 1.00 1.00 O ATOM 1084 CB THR A 76 101.126 -4.406 -13.071 1.00 1.00 C ATOM 1085 OG1 THR A 76 102.309 -4.083 -13.791 1.00 1.00 O ATOM 1086 CG2 THR A 76 99.898 -4.007 -13.894 1.00 1.00 C ATOM 0 H THR A 76 99.028 -3.421 -11.730 1.00 1.00 H new ATOM 0 HA THR A 76 101.815 -4.134 -11.037 1.00 1.00 H new ATOM 0 HB THR A 76 101.092 -5.479 -12.883 1.00 1.00 H new ATOM 0 HG1 THR A 76 102.312 -4.561 -14.647 1.00 1.00 H new ATOM 0 HG21 THR A 76 99.906 -4.543 -14.843 1.00 1.00 H new ATOM 0 HG22 THR A 76 98.993 -4.259 -13.342 1.00 1.00 H new ATOM 0 HG23 THR A 76 99.920 -2.934 -14.084 1.00 1.00 H new ATOM 1094 N PHE A 77 102.872 -2.012 -11.570 1.00 1.00 N ATOM 1095 CA PHE A 77 103.521 -0.720 -11.733 1.00 1.00 C ATOM 1096 C PHE A 77 104.967 -0.926 -12.089 1.00 1.00 C ATOM 1097 O PHE A 77 105.596 -1.885 -11.646 1.00 1.00 O ATOM 1098 CB PHE A 77 103.558 0.085 -10.436 1.00 1.00 C ATOM 1099 CG PHE A 77 102.188 0.259 -9.861 1.00 1.00 C ATOM 1100 CD1 PHE A 77 101.870 -0.372 -8.660 1.00 1.00 C ATOM 1101 CD2 PHE A 77 101.240 1.053 -10.520 1.00 1.00 C ATOM 1102 CE1 PHE A 77 100.603 -0.212 -8.109 1.00 1.00 C ATOM 1103 CE2 PHE A 77 99.971 1.217 -9.972 1.00 1.00 C ATOM 1104 CZ PHE A 77 99.648 0.589 -8.766 1.00 1.00 C ATOM 0 H PHE A 77 103.463 -2.722 -11.137 1.00 1.00 H new ATOM 0 HA PHE A 77 102.950 -0.194 -12.499 1.00 1.00 H new ATOM 0 HB2 PHE A 77 104.197 -0.420 -9.711 1.00 1.00 H new ATOM 0 HB3 PHE A 77 104.001 1.063 -10.626 1.00 1.00 H new ATOM 0 HD1 PHE A 77 102.605 -0.984 -8.158 1.00 1.00 H new ATOM 0 HD2 PHE A 77 101.494 1.537 -11.452 1.00 1.00 H new ATOM 0 HE1 PHE A 77 100.352 -0.701 -7.179 1.00 1.00 H new ATOM 0 HE2 PHE A 77 99.238 1.828 -10.478 1.00 1.00 H new ATOM 0 HZ PHE A 77 98.665 0.718 -8.337 1.00 1.00 H new ATOM 1114 N GLN A 78 105.518 0.034 -12.789 1.00 1.00 N ATOM 1115 CA GLN A 78 106.932 0.002 -13.086 1.00 1.00 C ATOM 1116 C GLN A 78 107.615 0.776 -11.984 1.00 1.00 C ATOM 1117 O GLN A 78 107.251 1.914 -11.690 1.00 1.00 O ATOM 1118 CB GLN A 78 107.254 0.602 -14.454 1.00 1.00 C ATOM 1119 CG GLN A 78 107.012 -0.435 -15.545 1.00 1.00 C ATOM 1120 CD GLN A 78 107.583 0.058 -16.861 1.00 1.00 C ATOM 1121 OE1 GLN A 78 107.523 -0.636 -17.875 1.00 1.00 O ATOM 1122 NE2 GLN A 78 108.150 1.223 -16.890 1.00 1.00 N ATOM 0 H GLN A 78 105.017 0.841 -13.162 1.00 1.00 H new ATOM 0 HA GLN A 78 107.283 -1.029 -13.131 1.00 1.00 H new ATOM 0 HB2 GLN A 78 106.633 1.480 -14.631 1.00 1.00 H new ATOM 0 HB3 GLN A 78 108.292 0.935 -14.480 1.00 1.00 H new ATOM 0 HG2 GLN A 78 107.477 -1.382 -15.269 1.00 1.00 H new ATOM 0 HG3 GLN A 78 105.943 -0.623 -15.650 1.00 1.00 H new ATOM 0 HE21 GLN A 78 108.194 1.790 -16.043 1.00 1.00 H new ATOM 0 HE22 GLN A 78 108.552 1.573 -17.760 1.00 1.00 H new ATOM 1131 N VAL A 79 108.569 0.137 -11.343 1.00 1.00 N ATOM 1132 CA VAL A 79 109.254 0.757 -10.239 1.00 1.00 C ATOM 1133 C VAL A 79 109.671 2.182 -10.597 1.00 1.00 C ATOM 1134 O VAL A 79 109.719 3.048 -9.728 1.00 1.00 O ATOM 1135 CB VAL A 79 110.500 -0.053 -9.858 1.00 1.00 C ATOM 1136 CG1 VAL A 79 111.104 0.522 -8.592 1.00 1.00 C ATOM 1137 CG2 VAL A 79 110.140 -1.500 -9.578 1.00 1.00 C ATOM 0 H VAL A 79 108.884 -0.807 -11.568 1.00 1.00 H new ATOM 0 HA VAL A 79 108.569 0.786 -9.392 1.00 1.00 H new ATOM 0 HB VAL A 79 111.202 -0.003 -10.690 1.00 1.00 H new ATOM 0 HG11 VAL A 79 111.990 -0.051 -8.318 1.00 1.00 H new ATOM 0 HG12 VAL A 79 111.383 1.562 -8.762 1.00 1.00 H new ATOM 0 HG13 VAL A 79 110.374 0.469 -7.784 1.00 1.00 H new ATOM 0 HG21 VAL A 79 111.040 -2.054 -9.310 1.00 1.00 H new ATOM 0 HG22 VAL A 79 109.428 -1.545 -8.754 1.00 1.00 H new ATOM 0 HG23 VAL A 79 109.693 -1.943 -10.468 1.00 1.00 H new ATOM 1141 N SER A 80 109.992 2.419 -11.870 1.00 1.00 N ATOM 1142 CA SER A 80 110.432 3.746 -12.284 1.00 1.00 C ATOM 1143 C SER A 80 109.277 4.730 -12.349 1.00 1.00 C ATOM 1144 O SER A 80 109.480 5.943 -12.271 1.00 1.00 O ATOM 1145 CB SER A 80 111.110 3.686 -13.657 1.00 1.00 C ATOM 1146 OG SER A 80 110.984 4.951 -14.298 1.00 1.00 O ATOM 0 H SER A 80 109.956 1.724 -12.616 1.00 1.00 H new ATOM 0 HA SER A 80 111.143 4.092 -11.533 1.00 1.00 H new ATOM 0 HB2 SER A 80 112.162 3.425 -13.545 1.00 1.00 H new ATOM 0 HB3 SER A 80 110.652 2.908 -14.268 1.00 1.00 H new ATOM 0 HG SER A 80 111.418 4.917 -15.176 1.00 1.00 H new ATOM 1152 N GLN A 81 108.073 4.211 -12.531 1.00 1.00 N ATOM 1153 CA GLN A 81 106.893 5.069 -12.647 1.00 1.00 C ATOM 1154 C GLN A 81 106.105 5.181 -11.337 1.00 1.00 C ATOM 1155 O GLN A 81 105.167 5.971 -11.257 1.00 1.00 O ATOM 1156 CB GLN A 81 105.965 4.518 -13.713 1.00 1.00 C ATOM 1157 CG GLN A 81 106.724 4.265 -15.007 1.00 1.00 C ATOM 1158 CD GLN A 81 107.370 5.554 -15.503 1.00 1.00 C ATOM 1159 OE1 GLN A 81 106.705 6.586 -15.602 1.00 1.00 O ATOM 1160 NE2 GLN A 81 108.636 5.553 -15.822 1.00 1.00 N ATOM 0 H GLN A 81 107.883 3.211 -12.602 1.00 1.00 H new ATOM 0 HA GLN A 81 107.255 6.063 -12.909 1.00 1.00 H new ATOM 0 HB2 GLN A 81 105.512 3.590 -13.364 1.00 1.00 H new ATOM 0 HB3 GLN A 81 105.152 5.221 -13.894 1.00 1.00 H new ATOM 0 HG2 GLN A 81 107.489 3.506 -14.845 1.00 1.00 H new ATOM 0 HG3 GLN A 81 106.044 3.876 -15.765 1.00 1.00 H new ATOM 0 HE21 GLN A 81 109.182 4.696 -15.738 1.00 1.00 H new ATOM 0 HE22 GLN A 81 109.079 6.409 -16.155 1.00 1.00 H new ATOM 1169 N VAL A 82 106.443 4.371 -10.323 1.00 1.00 N ATOM 1170 CA VAL A 82 105.688 4.397 -9.049 1.00 1.00 C ATOM 1171 C VAL A 82 106.256 5.440 -8.081 1.00 1.00 C ATOM 1172 O VAL A 82 107.288 6.053 -8.356 1.00 1.00 O ATOM 1173 CB VAL A 82 105.674 2.972 -8.458 1.00 1.00 C ATOM 1174 CG1 VAL A 82 106.973 2.683 -7.766 1.00 1.00 C ATOM 1175 CG2 VAL A 82 104.571 2.788 -7.458 1.00 1.00 C ATOM 0 H VAL A 82 107.214 3.703 -10.351 1.00 1.00 H new ATOM 0 HA VAL A 82 104.658 4.705 -9.232 1.00 1.00 H new ATOM 0 HB VAL A 82 105.517 2.290 -9.293 1.00 1.00 H new ATOM 0 HG11 VAL A 82 106.949 1.674 -7.354 1.00 1.00 H new ATOM 0 HG12 VAL A 82 107.792 2.764 -8.481 1.00 1.00 H new ATOM 0 HG13 VAL A 82 107.123 3.401 -6.960 1.00 1.00 H new ATOM 0 HG21 VAL A 82 104.599 1.770 -7.068 1.00 1.00 H new ATOM 0 HG22 VAL A 82 104.702 3.494 -6.638 1.00 1.00 H new ATOM 0 HG23 VAL A 82 103.610 2.965 -7.940 1.00 1.00 H new ATOM 1179 N ILE A 83 105.542 5.689 -6.977 1.00 1.00 N ATOM 1180 CA ILE A 83 105.963 6.725 -6.025 1.00 1.00 C ATOM 1181 C ILE A 83 107.427 6.496 -5.585 1.00 1.00 C ATOM 1182 O ILE A 83 107.859 5.352 -5.466 1.00 1.00 O ATOM 1183 CB ILE A 83 105.003 6.775 -4.785 1.00 1.00 C ATOM 1184 CG1 ILE A 83 103.905 5.708 -4.908 1.00 1.00 C ATOM 1185 CG2 ILE A 83 104.324 8.150 -4.698 1.00 1.00 C ATOM 1186 CD1 ILE A 83 102.867 5.852 -3.789 1.00 1.00 C ATOM 0 H ILE A 83 104.685 5.198 -6.723 1.00 1.00 H new ATOM 0 HA ILE A 83 105.906 7.691 -6.527 1.00 1.00 H new ATOM 0 HB ILE A 83 105.601 6.590 -3.893 1.00 1.00 H new ATOM 0 HG12 ILE A 83 103.414 5.797 -5.877 1.00 1.00 H new ATOM 0 HG13 ILE A 83 104.353 4.715 -4.867 1.00 1.00 H new ATOM 0 HG21 ILE A 83 103.660 8.174 -3.834 1.00 1.00 H new ATOM 0 HG22 ILE A 83 105.083 8.925 -4.593 1.00 1.00 H new ATOM 0 HG23 ILE A 83 103.746 8.328 -5.605 1.00 1.00 H new ATOM 0 HD11 ILE A 83 102.102 5.084 -3.901 1.00 1.00 H new ATOM 0 HD12 ILE A 83 103.356 5.738 -2.822 1.00 1.00 H new ATOM 0 HD13 ILE A 83 102.403 6.837 -3.847 1.00 1.00 H new ATOM 1193 N PRO A 84 108.204 7.551 -5.349 1.00 1.00 N ATOM 1194 CA PRO A 84 109.633 7.404 -4.926 1.00 1.00 C ATOM 1195 C PRO A 84 109.804 6.450 -3.755 1.00 1.00 C ATOM 1196 O PRO A 84 110.703 5.612 -3.747 1.00 1.00 O ATOM 1197 CB PRO A 84 110.028 8.817 -4.484 1.00 1.00 C ATOM 1198 CG PRO A 84 109.144 9.732 -5.252 1.00 1.00 C ATOM 1199 CD PRO A 84 107.832 8.981 -5.462 1.00 1.00 C ATOM 0 HA PRO A 84 110.240 6.995 -5.734 1.00 1.00 H new ATOM 0 HB2 PRO A 84 109.890 8.946 -3.411 1.00 1.00 H new ATOM 0 HB3 PRO A 84 111.079 9.016 -4.696 1.00 1.00 H new ATOM 0 HG2 PRO A 84 108.978 10.661 -4.707 1.00 1.00 H new ATOM 0 HG3 PRO A 84 109.596 10.000 -6.207 1.00 1.00 H new ATOM 0 HD2 PRO A 84 107.091 9.259 -4.713 1.00 1.00 H new ATOM 0 HD3 PRO A 84 107.399 9.203 -6.437 1.00 1.00 H new ATOM 1207 N GLY A 85 108.948 6.591 -2.760 1.00 1.00 N ATOM 1208 CA GLY A 85 109.052 5.731 -1.597 1.00 1.00 C ATOM 1209 C GLY A 85 108.981 4.288 -2.036 1.00 1.00 C ATOM 1210 O GLY A 85 109.793 3.447 -1.648 1.00 1.00 O ATOM 0 H GLY A 85 108.191 7.274 -2.732 1.00 1.00 H new ATOM 0 HA2 GLY A 85 109.990 5.918 -1.074 1.00 1.00 H new ATOM 0 HA3 GLY A 85 108.247 5.950 -0.895 1.00 1.00 H new ATOM 1214 N TRP A 86 107.999 4.036 -2.873 1.00 1.00 N ATOM 1215 CA TRP A 86 107.777 2.719 -3.429 1.00 1.00 C ATOM 1216 C TRP A 86 108.938 2.329 -4.349 1.00 1.00 C ATOM 1217 O TRP A 86 109.335 1.171 -4.411 1.00 1.00 O ATOM 1218 CB TRP A 86 106.473 2.750 -4.232 1.00 1.00 C ATOM 1219 CG TRP A 86 105.284 2.476 -3.368 1.00 1.00 C ATOM 1220 CD1 TRP A 86 104.798 3.251 -2.373 1.00 1.00 C ATOM 1221 CD2 TRP A 86 104.410 1.342 -3.451 1.00 1.00 C ATOM 1222 NE1 TRP A 86 103.681 2.642 -1.837 1.00 1.00 N ATOM 1223 CE2 TRP A 86 103.403 1.459 -2.479 1.00 1.00 C ATOM 1224 CE3 TRP A 86 104.409 0.231 -4.280 1.00 1.00 C ATOM 1225 CZ2 TRP A 86 102.423 0.488 -2.341 1.00 1.00 C ATOM 1226 CZ3 TRP A 86 103.433 -0.742 -4.147 1.00 1.00 C ATOM 1227 CH2 TRP A 86 102.434 -0.614 -3.174 1.00 1.00 C ATOM 0 H TRP A 86 107.331 4.739 -3.188 1.00 1.00 H new ATOM 0 HA TRP A 86 107.712 1.985 -2.625 1.00 1.00 H new ATOM 0 HB2 TRP A 86 106.361 3.725 -4.706 1.00 1.00 H new ATOM 0 HB3 TRP A 86 106.520 2.010 -5.031 1.00 1.00 H new ATOM 0 HD1 TRP A 86 105.215 4.193 -2.050 1.00 1.00 H new ATOM 0 HE1 TRP A 86 103.133 3.021 -1.065 1.00 1.00 H new ATOM 0 HE3 TRP A 86 105.174 0.124 -5.034 1.00 1.00 H new ATOM 0 HZ2 TRP A 86 101.656 0.592 -1.588 1.00 1.00 H new ATOM 0 HZ3 TRP A 86 103.442 -1.604 -4.797 1.00 1.00 H new ATOM 0 HH2 TRP A 86 101.674 -1.375 -3.075 1.00 1.00 H new ATOM 1238 N THR A 87 109.464 3.301 -5.081 1.00 1.00 N ATOM 1239 CA THR A 87 110.546 3.030 -6.014 1.00 1.00 C ATOM 1240 C THR A 87 111.675 2.270 -5.332 1.00 1.00 C ATOM 1241 O THR A 87 112.100 1.219 -5.807 1.00 1.00 O ATOM 1242 CB THR A 87 111.079 4.359 -6.557 1.00 1.00 C ATOM 1243 OG1 THR A 87 109.995 5.137 -7.049 1.00 1.00 O ATOM 1244 CG2 THR A 87 112.077 4.113 -7.683 1.00 1.00 C ATOM 0 H THR A 87 109.162 4.275 -5.047 1.00 1.00 H new ATOM 0 HA THR A 87 110.163 2.415 -6.828 1.00 1.00 H new ATOM 0 HB THR A 87 111.583 4.892 -5.750 1.00 1.00 H new ATOM 0 HG1 THR A 87 109.175 4.896 -6.569 1.00 1.00 H new ATOM 0 HG21 THR A 87 112.446 5.068 -8.057 1.00 1.00 H new ATOM 0 HG22 THR A 87 112.913 3.524 -7.306 1.00 1.00 H new ATOM 0 HG23 THR A 87 111.587 3.571 -8.492 1.00 1.00 H new ATOM 1252 N GLU A 88 112.158 2.803 -4.227 1.00 1.00 N ATOM 1253 CA GLU A 88 113.245 2.163 -3.494 1.00 1.00 C ATOM 1254 C GLU A 88 112.785 0.893 -2.776 1.00 1.00 C ATOM 1255 O GLU A 88 113.485 -0.115 -2.774 1.00 1.00 O ATOM 1256 CB GLU A 88 113.824 3.150 -2.481 1.00 1.00 C ATOM 1257 CG GLU A 88 115.132 2.595 -1.906 1.00 1.00 C ATOM 1258 CD GLU A 88 116.221 2.643 -2.971 1.00 1.00 C ATOM 1259 OE1 GLU A 88 115.967 3.213 -4.020 1.00 1.00 O ATOM 1260 OE2 GLU A 88 117.290 2.110 -2.726 1.00 1.00 O ATOM 0 H GLU A 88 111.821 3.673 -3.815 1.00 1.00 H new ATOM 0 HA GLU A 88 114.009 1.872 -4.215 1.00 1.00 H new ATOM 0 HB2 GLU A 88 114.006 4.112 -2.960 1.00 1.00 H new ATOM 0 HB3 GLU A 88 113.108 3.324 -1.678 1.00 1.00 H new ATOM 0 HG2 GLU A 88 115.435 3.178 -1.036 1.00 1.00 H new ATOM 0 HG3 GLU A 88 114.986 1.569 -1.567 1.00 1.00 H new ATOM 1267 N ALA A 89 111.628 0.964 -2.131 1.00 1.00 N ATOM 1268 CA ALA A 89 111.107 -0.170 -1.361 1.00 1.00 C ATOM 1269 C ALA A 89 110.921 -1.449 -2.183 1.00 1.00 C ATOM 1270 O ALA A 89 111.294 -2.529 -1.728 1.00 1.00 O ATOM 1271 CB ALA A 89 109.770 0.201 -0.740 1.00 1.00 C ATOM 0 H ALA A 89 111.030 1.790 -2.122 1.00 1.00 H new ATOM 0 HA ALA A 89 111.859 -0.382 -0.601 1.00 1.00 H new ATOM 0 HB1 ALA A 89 109.387 -0.645 -0.169 1.00 1.00 H new ATOM 0 HB2 ALA A 89 109.901 1.057 -0.078 1.00 1.00 H new ATOM 0 HB3 ALA A 89 109.062 0.458 -1.528 1.00 1.00 H new ATOM 1277 N LEU A 90 110.321 -1.348 -3.366 1.00 1.00 N ATOM 1278 CA LEU A 90 110.083 -2.542 -4.172 1.00 1.00 C ATOM 1279 C LEU A 90 111.407 -3.238 -4.459 1.00 1.00 C ATOM 1280 O LEU A 90 111.507 -4.465 -4.416 1.00 1.00 O ATOM 1281 CB LEU A 90 109.439 -2.164 -5.504 1.00 1.00 C ATOM 1282 CG LEU A 90 108.089 -1.481 -5.271 1.00 1.00 C ATOM 1283 CD1 LEU A 90 107.702 -0.751 -6.553 1.00 1.00 C ATOM 1284 CD2 LEU A 90 107.014 -2.507 -4.920 1.00 1.00 C ATOM 0 H LEU A 90 109.997 -0.474 -3.781 1.00 1.00 H new ATOM 0 HA LEU A 90 109.418 -3.205 -3.618 1.00 1.00 H new ATOM 0 HB2 LEU A 90 110.100 -1.497 -6.058 1.00 1.00 H new ATOM 0 HB3 LEU A 90 109.301 -3.056 -6.115 1.00 1.00 H new ATOM 0 HG LEU A 90 108.172 -0.783 -4.438 1.00 1.00 H new ATOM 0 HD11 LEU A 90 106.742 -0.255 -6.413 1.00 1.00 H new ATOM 0 HD12 LEU A 90 108.463 -0.008 -6.793 1.00 1.00 H new ATOM 0 HD13 LEU A 90 107.625 -1.468 -7.371 1.00 1.00 H new ATOM 0 HD21 LEU A 90 106.064 -1.998 -4.759 1.00 1.00 H new ATOM 0 HD22 LEU A 90 106.910 -3.219 -5.738 1.00 1.00 H new ATOM 0 HD23 LEU A 90 107.300 -3.037 -4.012 1.00 1.00 H new ATOM 1296 N GLN A 91 112.412 -2.433 -4.763 1.00 1.00 N ATOM 1297 CA GLN A 91 113.736 -2.942 -5.077 1.00 1.00 C ATOM 1298 C GLN A 91 114.371 -3.614 -3.863 1.00 1.00 C ATOM 1299 O GLN A 91 115.265 -4.449 -4.003 1.00 1.00 O ATOM 1300 CB GLN A 91 114.620 -1.785 -5.524 1.00 1.00 C ATOM 1301 CG GLN A 91 113.984 -1.097 -6.730 1.00 1.00 C ATOM 1302 CD GLN A 91 114.766 0.163 -7.080 1.00 1.00 C ATOM 1303 OE1 GLN A 91 115.997 0.149 -7.062 1.00 1.00 O ATOM 1304 NE2 GLN A 91 114.130 1.254 -7.404 1.00 1.00 N ATOM 0 H GLN A 91 112.334 -1.417 -4.799 1.00 1.00 H new ATOM 0 HA GLN A 91 113.642 -3.683 -5.871 1.00 1.00 H new ATOM 0 HB2 GLN A 91 114.745 -1.072 -4.709 1.00 1.00 H new ATOM 0 HB3 GLN A 91 115.614 -2.151 -5.782 1.00 1.00 H new ATOM 0 HG2 GLN A 91 113.971 -1.776 -7.582 1.00 1.00 H new ATOM 0 HG3 GLN A 91 112.947 -0.843 -6.510 1.00 1.00 H new ATOM 0 HE21 GLN A 91 113.110 1.265 -7.419 1.00 1.00 H new ATOM 0 HE22 GLN A 91 114.652 2.097 -7.643 1.00 1.00 H new ATOM 1313 N LEU A 92 113.915 -3.237 -2.670 1.00 1.00 N ATOM 1314 CA LEU A 92 114.459 -3.808 -1.430 1.00 1.00 C ATOM 1315 C LEU A 92 113.514 -4.836 -0.855 1.00 1.00 C ATOM 1316 O LEU A 92 113.856 -5.534 0.091 1.00 1.00 O ATOM 1317 CB LEU A 92 114.657 -2.714 -0.380 1.00 1.00 C ATOM 1318 CG LEU A 92 115.618 -1.637 -0.885 1.00 1.00 C ATOM 1319 CD1 LEU A 92 115.680 -0.523 0.145 1.00 1.00 C ATOM 1320 CD2 LEU A 92 117.013 -2.219 -1.099 1.00 1.00 C ATOM 0 H LEU A 92 113.178 -2.546 -2.531 1.00 1.00 H new ATOM 0 HA LEU A 92 115.413 -4.274 -1.676 1.00 1.00 H new ATOM 0 HB2 LEU A 92 113.696 -2.263 -0.134 1.00 1.00 H new ATOM 0 HB3 LEU A 92 115.047 -3.153 0.538 1.00 1.00 H new ATOM 0 HG LEU A 92 115.260 -1.250 -1.839 1.00 1.00 H new ATOM 0 HD11 LEU A 92 116.362 0.254 -0.200 1.00 1.00 H new ATOM 0 HD12 LEU A 92 114.685 -0.098 0.282 1.00 1.00 H new ATOM 0 HD13 LEU A 92 116.037 -0.924 1.094 1.00 1.00 H new ATOM 0 HD21 LEU A 92 117.682 -1.437 -1.458 1.00 1.00 H new ATOM 0 HD22 LEU A 92 117.391 -2.615 -0.156 1.00 1.00 H new ATOM 0 HD23 LEU A 92 116.964 -3.021 -1.835 1.00 1.00 H new ATOM 1332 N MET A 93 112.319 -4.889 -1.410 1.00 1.00 N ATOM 1333 CA MET A 93 111.293 -5.805 -0.934 1.00 1.00 C ATOM 1334 C MET A 93 111.343 -7.163 -1.668 1.00 1.00 C ATOM 1335 O MET A 93 110.948 -7.236 -2.830 1.00 1.00 O ATOM 1336 CB MET A 93 109.951 -5.143 -1.198 1.00 1.00 C ATOM 1337 CG MET A 93 108.831 -5.991 -0.629 1.00 1.00 C ATOM 1338 SD MET A 93 107.314 -5.006 -0.641 1.00 1.00 S ATOM 1339 CE MET A 93 106.156 -6.361 -0.387 1.00 1.00 C ATOM 0 H MET A 93 112.031 -4.306 -2.196 1.00 1.00 H new ATOM 0 HA MET A 93 111.451 -6.007 0.125 1.00 1.00 H new ATOM 0 HB2 MET A 93 109.931 -4.151 -0.747 1.00 1.00 H new ATOM 0 HB3 MET A 93 109.807 -5.009 -2.270 1.00 1.00 H new ATOM 0 HG2 MET A 93 108.701 -6.896 -1.222 1.00 1.00 H new ATOM 0 HG3 MET A 93 109.071 -6.307 0.386 1.00 1.00 H new ATOM 0 HE1 MET A 93 105.212 -6.131 -0.881 1.00 1.00 H new ATOM 0 HE2 MET A 93 106.571 -7.278 -0.806 1.00 1.00 H new ATOM 0 HE3 MET A 93 105.983 -6.496 0.681 1.00 1.00 H new ATOM 1349 N PRO A 94 111.793 -8.241 -1.033 1.00 1.00 N ATOM 1350 CA PRO A 94 111.848 -9.592 -1.678 1.00 1.00 C ATOM 1351 C PRO A 94 110.462 -10.173 -1.925 1.00 1.00 C ATOM 1352 O PRO A 94 109.519 -9.914 -1.176 1.00 1.00 O ATOM 1353 CB PRO A 94 112.648 -10.454 -0.681 1.00 1.00 C ATOM 1354 CG PRO A 94 113.266 -9.492 0.274 1.00 1.00 C ATOM 1355 CD PRO A 94 112.303 -8.330 0.342 1.00 1.00 C ATOM 0 HA PRO A 94 112.309 -9.550 -2.665 1.00 1.00 H new ATOM 0 HB2 PRO A 94 111.998 -11.158 -0.162 1.00 1.00 H new ATOM 0 HB3 PRO A 94 113.410 -11.041 -1.194 1.00 1.00 H new ATOM 0 HG2 PRO A 94 113.406 -9.946 1.255 1.00 1.00 H new ATOM 0 HG3 PRO A 94 114.248 -9.170 -0.071 1.00 1.00 H new ATOM 0 HD2 PRO A 94 111.502 -8.511 1.058 1.00 1.00 H new ATOM 0 HD3 PRO A 94 112.802 -7.410 0.648 1.00 1.00 H new ATOM 1363 N ALA A 95 110.350 -10.949 -2.992 1.00 1.00 N ATOM 1364 CA ALA A 95 109.081 -11.555 -3.346 1.00 1.00 C ATOM 1365 C ALA A 95 108.635 -12.559 -2.311 1.00 1.00 C ATOM 1366 O ALA A 95 109.429 -13.338 -1.784 1.00 1.00 O ATOM 1367 CB ALA A 95 109.156 -12.210 -4.722 1.00 1.00 C ATOM 0 H ALA A 95 111.120 -11.172 -3.623 1.00 1.00 H new ATOM 0 HA ALA A 95 108.339 -10.757 -3.379 1.00 1.00 H new ATOM 0 HB1 ALA A 95 108.192 -12.657 -4.965 1.00 1.00 H new ATOM 0 HB2 ALA A 95 109.406 -11.458 -5.470 1.00 1.00 H new ATOM 0 HB3 ALA A 95 109.924 -12.984 -4.715 1.00 1.00 H new ATOM 1373 N GLY A 96 107.345 -12.505 -2.008 1.00 1.00 N ATOM 1374 CA GLY A 96 106.757 -13.378 -1.018 1.00 1.00 C ATOM 1375 C GLY A 96 106.744 -12.665 0.318 1.00 1.00 C ATOM 1376 O GLY A 96 105.988 -13.018 1.221 1.00 1.00 O ATOM 0 H GLY A 96 106.686 -11.858 -2.441 1.00 1.00 H new ATOM 0 HA2 GLY A 96 105.743 -13.650 -1.310 1.00 1.00 H new ATOM 0 HA3 GLY A 96 107.327 -14.304 -0.946 1.00 1.00 H new ATOM 1380 N SER A 97 107.583 -11.633 0.426 1.00 1.00 N ATOM 1381 CA SER A 97 107.657 -10.853 1.651 1.00 1.00 C ATOM 1382 C SER A 97 106.643 -9.722 1.622 1.00 1.00 C ATOM 1383 O SER A 97 106.578 -8.962 0.663 1.00 1.00 O ATOM 1384 CB SER A 97 109.067 -10.273 1.807 1.00 1.00 C ATOM 1385 OG SER A 97 109.120 -8.993 1.188 1.00 1.00 O ATOM 0 H SER A 97 108.213 -11.324 -0.315 1.00 1.00 H new ATOM 0 HA SER A 97 107.433 -11.505 2.495 1.00 1.00 H new ATOM 0 HB2 SER A 97 109.324 -10.190 2.863 1.00 1.00 H new ATOM 0 HB3 SER A 97 109.799 -10.940 1.352 1.00 1.00 H new ATOM 0 HG SER A 97 109.258 -9.101 0.224 1.00 1.00 H new ATOM 1391 N THR A 98 105.861 -9.606 2.692 1.00 1.00 N ATOM 1392 CA THR A 98 104.861 -8.549 2.794 1.00 1.00 C ATOM 1393 C THR A 98 105.378 -7.453 3.697 1.00 1.00 C ATOM 1394 O THR A 98 105.625 -7.674 4.879 1.00 1.00 O ATOM 1395 CB THR A 98 103.552 -9.087 3.354 1.00 1.00 C ATOM 1396 OG1 THR A 98 103.097 -10.165 2.548 1.00 1.00 O ATOM 1397 CG2 THR A 98 102.523 -7.964 3.339 1.00 1.00 C ATOM 0 H THR A 98 105.901 -10.229 3.498 1.00 1.00 H new ATOM 0 HA THR A 98 104.674 -8.155 1.795 1.00 1.00 H new ATOM 0 HB THR A 98 103.698 -9.445 4.373 1.00 1.00 H new ATOM 0 HG1 THR A 98 102.255 -10.512 2.910 1.00 1.00 H new ATOM 0 HG21 THR A 98 101.577 -8.332 3.737 1.00 1.00 H new ATOM 0 HG22 THR A 98 102.878 -7.137 3.953 1.00 1.00 H new ATOM 0 HG23 THR A 98 102.376 -7.619 2.316 1.00 1.00 H new ATOM 1405 N TRP A 99 105.588 -6.275 3.123 1.00 1.00 N ATOM 1406 CA TRP A 99 106.124 -5.142 3.872 1.00 1.00 C ATOM 1407 C TRP A 99 105.119 -4.000 3.941 1.00 1.00 C ATOM 1408 O TRP A 99 104.143 -3.949 3.194 1.00 1.00 O ATOM 1409 CB TRP A 99 107.385 -4.575 3.186 1.00 1.00 C ATOM 1410 CG TRP A 99 108.577 -5.488 3.273 1.00 1.00 C ATOM 1411 CD1 TRP A 99 108.588 -6.791 3.656 1.00 1.00 C ATOM 1412 CD2 TRP A 99 109.956 -5.151 2.969 1.00 1.00 C ATOM 1413 NE1 TRP A 99 109.875 -7.269 3.600 1.00 1.00 N ATOM 1414 CE2 TRP A 99 110.762 -6.295 3.180 1.00 1.00 C ATOM 1415 CE3 TRP A 99 110.577 -3.967 2.528 1.00 1.00 C ATOM 1416 CZ2 TRP A 99 112.139 -6.264 2.964 1.00 1.00 C ATOM 1417 CZ3 TRP A 99 111.963 -3.934 2.312 1.00 1.00 C ATOM 1418 CH2 TRP A 99 112.742 -5.080 2.528 1.00 1.00 C ATOM 0 H TRP A 99 105.396 -6.078 2.141 1.00 1.00 H new ATOM 0 HA TRP A 99 106.354 -5.515 4.870 1.00 1.00 H new ATOM 0 HB2 TRP A 99 107.162 -4.381 2.137 1.00 1.00 H new ATOM 0 HB3 TRP A 99 107.637 -3.617 3.641 1.00 1.00 H new ATOM 0 HD1 TRP A 99 107.722 -7.361 3.957 1.00 1.00 H new ATOM 0 HE1 TRP A 99 110.143 -8.224 3.839 1.00 1.00 H new ATOM 0 HE3 TRP A 99 109.984 -3.081 2.355 1.00 1.00 H new ATOM 0 HZ2 TRP A 99 112.736 -7.148 3.132 1.00 1.00 H new ATOM 0 HZ3 TRP A 99 112.433 -3.021 1.977 1.00 1.00 H new ATOM 0 HH2 TRP A 99 113.808 -5.048 2.358 1.00 1.00 H new ATOM 1429 N GLU A 100 105.443 -3.049 4.804 1.00 1.00 N ATOM 1430 CA GLU A 100 104.677 -1.824 4.969 1.00 1.00 C ATOM 1431 C GLU A 100 105.663 -0.682 4.880 1.00 1.00 C ATOM 1432 O GLU A 100 106.679 -0.710 5.570 1.00 1.00 O ATOM 1433 CB GLU A 100 103.964 -1.759 6.325 1.00 1.00 C ATOM 1434 CG GLU A 100 102.691 -2.592 6.289 1.00 1.00 C ATOM 1435 CD GLU A 100 102.037 -2.609 7.666 1.00 1.00 C ATOM 1436 OE1 GLU A 100 102.545 -1.938 8.549 1.00 1.00 O ATOM 1437 OE2 GLU A 100 101.038 -3.293 7.818 1.00 1.00 O ATOM 0 H GLU A 100 106.256 -3.108 5.417 1.00 1.00 H new ATOM 0 HA GLU A 100 103.906 -1.776 4.200 1.00 1.00 H new ATOM 0 HB2 GLU A 100 104.625 -2.126 7.110 1.00 1.00 H new ATOM 0 HB3 GLU A 100 103.724 -0.724 6.569 1.00 1.00 H new ATOM 0 HG2 GLU A 100 101.999 -2.181 5.554 1.00 1.00 H new ATOM 0 HG3 GLU A 100 102.922 -3.610 5.975 1.00 1.00 H new ATOM 1444 N ILE A 101 105.384 0.322 4.047 1.00 1.00 N ATOM 1445 CA ILE A 101 106.289 1.448 3.918 1.00 1.00 C ATOM 1446 C ILE A 101 105.540 2.737 4.165 1.00 1.00 C ATOM 1447 O ILE A 101 104.398 2.911 3.749 1.00 1.00 O ATOM 1448 CB ILE A 101 107.022 1.425 2.563 1.00 1.00 C ATOM 1449 CG1 ILE A 101 106.218 2.099 1.446 1.00 1.00 C ATOM 1450 CG2 ILE A 101 107.285 -0.036 2.195 1.00 1.00 C ATOM 1451 CD1 ILE A 101 107.066 2.111 0.185 1.00 1.00 C ATOM 0 H ILE A 101 104.550 0.373 3.463 1.00 1.00 H new ATOM 0 HA ILE A 101 107.068 1.373 4.677 1.00 1.00 H new ATOM 0 HB ILE A 101 107.951 1.986 2.664 1.00 1.00 H new ATOM 0 HG12 ILE A 101 105.286 1.561 1.271 1.00 1.00 H new ATOM 0 HG13 ILE A 101 105.950 3.116 1.732 1.00 1.00 H new ATOM 0 HG21 ILE A 101 107.804 -0.082 1.238 1.00 1.00 H new ATOM 0 HG22 ILE A 101 107.902 -0.500 2.965 1.00 1.00 H new ATOM 0 HG23 ILE A 101 106.337 -0.569 2.120 1.00 1.00 H new ATOM 0 HD11 ILE A 101 106.510 2.587 -0.623 1.00 1.00 H new ATOM 0 HD12 ILE A 101 107.985 2.667 0.370 1.00 1.00 H new ATOM 0 HD13 ILE A 101 107.312 1.087 -0.098 1.00 1.00 H new ATOM 1458 N TYR A 102 106.203 3.616 4.894 1.00 1.00 N ATOM 1459 CA TYR A 102 105.642 4.892 5.275 1.00 1.00 C ATOM 1460 C TYR A 102 106.393 5.934 4.475 1.00 1.00 C ATOM 1461 O TYR A 102 107.564 6.210 4.731 1.00 1.00 O ATOM 1462 CB TYR A 102 105.860 5.109 6.782 1.00 1.00 C ATOM 1463 CG TYR A 102 105.307 3.937 7.604 1.00 1.00 C ATOM 1464 CD1 TYR A 102 105.692 2.611 7.331 1.00 1.00 C ATOM 1465 CD2 TYR A 102 104.412 4.181 8.655 1.00 1.00 C ATOM 1466 CE1 TYR A 102 105.191 1.556 8.089 1.00 1.00 C ATOM 1467 CE2 TYR A 102 103.910 3.115 9.419 1.00 1.00 C ATOM 1468 CZ TYR A 102 104.301 1.803 9.134 1.00 1.00 C ATOM 1469 OH TYR A 102 103.807 0.754 9.884 1.00 1.00 O ATOM 0 H TYR A 102 107.150 3.461 5.238 1.00 1.00 H new ATOM 0 HA TYR A 102 104.571 4.948 5.079 1.00 1.00 H new ATOM 0 HB2 TYR A 102 106.925 5.226 6.984 1.00 1.00 H new ATOM 0 HB3 TYR A 102 105.373 6.034 7.092 1.00 1.00 H new ATOM 0 HD1 TYR A 102 106.383 2.410 6.526 1.00 1.00 H new ATOM 0 HD2 TYR A 102 104.107 5.193 8.878 1.00 1.00 H new ATOM 0 HE1 TYR A 102 105.493 0.543 7.867 1.00 1.00 H new ATOM 0 HE2 TYR A 102 103.221 3.309 10.228 1.00 1.00 H new ATOM 0 HH TYR A 102 103.463 0.058 9.286 1.00 1.00 H new ATOM 1479 N VAL A 103 105.737 6.432 3.436 1.00 1.00 N ATOM 1480 CA VAL A 103 106.370 7.355 2.509 1.00 1.00 C ATOM 1481 C VAL A 103 106.236 8.826 2.866 1.00 1.00 C ATOM 1482 O VAL A 103 105.140 9.380 2.804 1.00 1.00 O ATOM 1483 CB VAL A 103 105.777 7.188 1.121 1.00 1.00 C ATOM 1484 CG1 VAL A 103 106.649 7.935 0.113 1.00 1.00 C ATOM 1485 CG2 VAL A 103 105.707 5.710 0.758 1.00 1.00 C ATOM 0 H VAL A 103 104.766 6.211 3.215 1.00 1.00 H new ATOM 0 HA VAL A 103 107.428 7.097 2.557 1.00 1.00 H new ATOM 0 HB VAL A 103 104.767 7.598 1.103 1.00 1.00 H new ATOM 0 HG11 VAL A 103 106.230 7.820 -0.887 1.00 1.00 H new ATOM 0 HG12 VAL A 103 106.681 8.993 0.373 1.00 1.00 H new ATOM 0 HG13 VAL A 103 107.659 7.526 0.132 1.00 1.00 H new ATOM 0 HG21 VAL A 103 105.280 5.600 -0.239 1.00 1.00 H new ATOM 0 HG22 VAL A 103 106.710 5.284 0.773 1.00 1.00 H new ATOM 0 HG23 VAL A 103 105.080 5.187 1.480 1.00 1.00 H new ATOM 1489 N PRO A 104 107.330 9.492 3.151 1.00 1.00 N ATOM 1490 CA PRO A 104 107.293 10.947 3.423 1.00 1.00 C ATOM 1491 C PRO A 104 106.550 11.662 2.294 1.00 1.00 C ATOM 1492 O PRO A 104 106.641 11.261 1.134 1.00 1.00 O ATOM 1493 CB PRO A 104 108.777 11.352 3.452 1.00 1.00 C ATOM 1494 CG PRO A 104 109.545 10.096 3.756 1.00 1.00 C ATOM 1495 CD PRO A 104 108.694 8.934 3.273 1.00 1.00 C ATOM 0 HA PRO A 104 106.777 11.205 4.348 1.00 1.00 H new ATOM 0 HB2 PRO A 104 109.084 11.775 2.496 1.00 1.00 H new ATOM 0 HB3 PRO A 104 108.959 12.113 4.211 1.00 1.00 H new ATOM 0 HG2 PRO A 104 110.512 10.103 3.253 1.00 1.00 H new ATOM 0 HG3 PRO A 104 109.743 10.013 4.825 1.00 1.00 H new ATOM 0 HD2 PRO A 104 109.052 8.551 2.317 1.00 1.00 H new ATOM 0 HD3 PRO A 104 108.720 8.104 3.979 1.00 1.00 H new ATOM 1503 N SER A 105 105.799 12.696 2.637 1.00 1.00 N ATOM 1504 CA SER A 105 105.035 13.414 1.633 1.00 1.00 C ATOM 1505 C SER A 105 105.925 13.792 0.453 1.00 1.00 C ATOM 1506 O SER A 105 105.475 13.813 -0.693 1.00 1.00 O ATOM 1507 CB SER A 105 104.415 14.672 2.238 1.00 1.00 C ATOM 1508 OG SER A 105 105.445 15.591 2.572 1.00 1.00 O ATOM 0 H SER A 105 105.703 13.052 3.588 1.00 1.00 H new ATOM 0 HA SER A 105 104.238 12.761 1.277 1.00 1.00 H new ATOM 0 HB2 SER A 105 103.723 15.126 1.529 1.00 1.00 H new ATOM 0 HB3 SER A 105 103.839 14.416 3.127 1.00 1.00 H new ATOM 0 HG SER A 105 105.049 16.400 2.959 1.00 1.00 H new ATOM 1514 N GLY A 106 107.189 14.079 0.741 1.00 1.00 N ATOM 1515 CA GLY A 106 108.140 14.442 -0.302 1.00 1.00 C ATOM 1516 C GLY A 106 108.408 13.267 -1.229 1.00 1.00 C ATOM 1517 O GLY A 106 108.658 13.446 -2.420 1.00 1.00 O ATOM 0 H GLY A 106 107.578 14.068 1.684 1.00 1.00 H new ATOM 0 HA2 GLY A 106 107.751 15.282 -0.877 1.00 1.00 H new ATOM 0 HA3 GLY A 106 109.074 14.772 0.152 1.00 1.00 H new ATOM 1521 N LEU A 107 108.364 12.061 -0.669 1.00 1.00 N ATOM 1522 CA LEU A 107 108.616 10.847 -1.445 1.00 1.00 C ATOM 1523 C LEU A 107 107.307 10.172 -1.837 1.00 1.00 C ATOM 1524 O LEU A 107 107.324 9.110 -2.451 1.00 1.00 O ATOM 1525 CB LEU A 107 109.466 9.855 -0.625 1.00 1.00 C ATOM 1526 CG LEU A 107 110.834 10.463 -0.254 1.00 1.00 C ATOM 1527 CD1 LEU A 107 111.689 9.403 0.447 1.00 1.00 C ATOM 1528 CD2 LEU A 107 111.571 10.958 -1.508 1.00 1.00 C ATOM 0 H LEU A 107 108.157 11.897 0.316 1.00 1.00 H new ATOM 0 HA LEU A 107 109.155 11.134 -2.348 1.00 1.00 H new ATOM 0 HB2 LEU A 107 108.930 9.578 0.283 1.00 1.00 H new ATOM 0 HB3 LEU A 107 109.616 8.940 -1.199 1.00 1.00 H new ATOM 0 HG LEU A 107 110.667 11.311 0.411 1.00 1.00 H new ATOM 0 HD11 LEU A 107 112.656 9.831 0.710 1.00 1.00 H new ATOM 0 HD12 LEU A 107 111.183 9.067 1.352 1.00 1.00 H new ATOM 0 HD13 LEU A 107 111.837 8.555 -0.221 1.00 1.00 H new ATOM 0 HD21 LEU A 107 112.533 11.383 -1.221 1.00 1.00 H new ATOM 0 HD22 LEU A 107 111.732 10.122 -2.189 1.00 1.00 H new ATOM 0 HD23 LEU A 107 110.972 11.721 -2.005 1.00 1.00 H new ATOM 1540 N ALA A 108 106.166 10.774 -1.467 1.00 1.00 N ATOM 1541 CA ALA A 108 104.863 10.198 -1.788 1.00 1.00 C ATOM 1542 C ALA A 108 104.161 11.014 -2.869 1.00 1.00 C ATOM 1543 O ALA A 108 104.574 11.011 -4.026 1.00 1.00 O ATOM 1544 CB ALA A 108 103.962 10.152 -0.549 1.00 1.00 C ATOM 0 H ALA A 108 106.125 11.652 -0.950 1.00 1.00 H new ATOM 0 HA ALA A 108 105.039 9.184 -2.148 1.00 1.00 H new ATOM 0 HB1 ALA A 108 102.998 9.719 -0.816 1.00 1.00 H new ATOM 0 HB2 ALA A 108 104.433 9.542 0.221 1.00 1.00 H new ATOM 0 HB3 ALA A 108 103.813 11.163 -0.170 1.00 1.00 H new ATOM 1550 N TYR A 109 103.069 11.686 -2.497 1.00 1.00 N ATOM 1551 CA TYR A 109 102.287 12.450 -3.455 1.00 1.00 C ATOM 1552 C TYR A 109 102.609 13.937 -3.455 1.00 1.00 C ATOM 1553 O TYR A 109 101.987 14.708 -4.187 1.00 1.00 O ATOM 1554 CB TYR A 109 100.807 12.164 -3.223 1.00 1.00 C ATOM 1555 CG TYR A 109 100.557 10.795 -3.807 1.00 1.00 C ATOM 1556 CD1 TYR A 109 100.428 9.698 -2.967 1.00 1.00 C ATOM 1557 CD2 TYR A 109 100.530 10.618 -5.201 1.00 1.00 C ATOM 1558 CE1 TYR A 109 100.272 8.426 -3.500 1.00 1.00 C ATOM 1559 CE2 TYR A 109 100.367 9.351 -5.737 1.00 1.00 C ATOM 1560 CZ TYR A 109 100.240 8.246 -4.888 1.00 1.00 C ATOM 1561 OH TYR A 109 100.109 6.983 -5.418 1.00 1.00 O ATOM 0 H TYR A 109 102.712 11.713 -1.542 1.00 1.00 H new ATOM 0 HA TYR A 109 102.560 12.123 -4.458 1.00 1.00 H new ATOM 0 HB2 TYR A 109 100.566 12.186 -2.160 1.00 1.00 H new ATOM 0 HB3 TYR A 109 100.183 12.915 -3.707 1.00 1.00 H new ATOM 0 HD1 TYR A 109 100.449 9.834 -1.896 1.00 1.00 H new ATOM 0 HD2 TYR A 109 100.636 11.471 -5.855 1.00 1.00 H new ATOM 0 HE1 TYR A 109 100.175 7.574 -2.843 1.00 1.00 H new ATOM 0 HE2 TYR A 109 100.338 9.216 -6.808 1.00 1.00 H new ATOM 0 HH TYR A 109 100.103 7.038 -6.396 1.00 1.00 H new ATOM 1571 N GLY A 110 103.620 14.334 -2.681 1.00 1.00 N ATOM 1572 CA GLY A 110 104.053 15.735 -2.663 1.00 1.00 C ATOM 1573 C GLY A 110 103.743 16.451 -1.350 1.00 1.00 C ATOM 1574 O GLY A 110 102.932 15.989 -0.546 1.00 1.00 O ATOM 0 H GLY A 110 104.149 13.716 -2.066 1.00 1.00 H new ATOM 0 HA2 GLY A 110 105.127 15.778 -2.846 1.00 1.00 H new ATOM 0 HA3 GLY A 110 103.568 16.267 -3.481 1.00 1.00 H new ATOM 1578 N PRO A 111 104.377 17.584 -1.139 1.00 1.00 N ATOM 1579 CA PRO A 111 104.184 18.422 0.078 1.00 1.00 C ATOM 1580 C PRO A 111 102.879 19.211 0.003 1.00 1.00 C ATOM 1581 O PRO A 111 102.445 19.827 0.976 1.00 1.00 O ATOM 1582 CB PRO A 111 105.398 19.343 0.054 1.00 1.00 C ATOM 1583 CG PRO A 111 105.678 19.540 -1.394 1.00 1.00 C ATOM 1584 CD PRO A 111 105.357 18.204 -2.055 1.00 1.00 C ATOM 0 HA PRO A 111 104.110 17.840 0.997 1.00 1.00 H new ATOM 0 HB2 PRO A 111 105.189 20.290 0.552 1.00 1.00 H new ATOM 0 HB3 PRO A 111 106.249 18.894 0.567 1.00 1.00 H new ATOM 0 HG2 PRO A 111 105.064 20.340 -1.807 1.00 1.00 H new ATOM 0 HG3 PRO A 111 106.719 19.819 -1.558 1.00 1.00 H new ATOM 0 HD2 PRO A 111 104.941 18.341 -3.053 1.00 1.00 H new ATOM 0 HD3 PRO A 111 106.249 17.587 -2.164 1.00 1.00 H new ATOM 1592 N ARG A 112 102.263 19.188 -1.175 1.00 1.00 N ATOM 1593 CA ARG A 112 101.004 19.892 -1.405 1.00 1.00 C ATOM 1594 C ARG A 112 99.870 18.879 -1.487 1.00 1.00 C ATOM 1595 O ARG A 112 100.112 17.676 -1.570 1.00 1.00 O ATOM 1596 CB ARG A 112 101.066 20.660 -2.725 1.00 1.00 C ATOM 1597 CG ARG A 112 102.073 21.809 -2.625 1.00 1.00 C ATOM 1598 CD ARG A 112 102.139 22.530 -3.974 1.00 1.00 C ATOM 1599 NE ARG A 112 103.169 23.563 -3.951 1.00 1.00 N ATOM 1600 CZ ARG A 112 102.981 24.718 -3.319 1.00 1.00 C ATOM 1601 NH1 ARG A 112 101.855 24.956 -2.703 1.00 1.00 N ATOM 1602 NH2 ARG A 112 103.927 25.616 -3.316 1.00 1.00 N ATOM 0 H ARG A 112 102.617 18.687 -1.990 1.00 1.00 H new ATOM 0 HA ARG A 112 100.834 20.588 -0.584 1.00 1.00 H new ATOM 0 HB2 ARG A 112 101.352 19.986 -3.532 1.00 1.00 H new ATOM 0 HB3 ARG A 112 100.080 21.053 -2.972 1.00 1.00 H new ATOM 0 HG2 ARG A 112 101.775 22.504 -1.840 1.00 1.00 H new ATOM 0 HG3 ARG A 112 103.057 21.426 -2.354 1.00 1.00 H new ATOM 0 HD2 ARG A 112 102.353 21.813 -4.766 1.00 1.00 H new ATOM 0 HD3 ARG A 112 101.172 22.978 -4.202 1.00 1.00 H new ATOM 0 HE ARG A 112 104.054 23.396 -4.431 1.00 1.00 H new ATOM 0 HH11 ARG A 112 101.114 24.255 -2.705 1.00 1.00 H new ATOM 0 HH12 ARG A 112 101.716 25.843 -2.220 1.00 1.00 H new ATOM 0 HH21 ARG A 112 104.807 25.431 -3.797 1.00 1.00 H new ATOM 0 HH22 ARG A 112 103.787 26.503 -2.832 1.00 1.00 H new ATOM 1616 N SER A 113 98.637 19.361 -1.474 1.00 1.00 N ATOM 1617 CA SER A 113 97.497 18.469 -1.568 1.00 1.00 C ATOM 1618 C SER A 113 97.346 17.975 -3.004 1.00 1.00 C ATOM 1619 O SER A 113 96.776 18.671 -3.844 1.00 1.00 O ATOM 1620 CB SER A 113 96.233 19.209 -1.147 1.00 1.00 C ATOM 1621 OG SER A 113 96.553 20.085 -0.082 1.00 1.00 O ATOM 0 H SER A 113 98.404 20.351 -1.400 1.00 1.00 H new ATOM 0 HA SER A 113 97.654 17.615 -0.909 1.00 1.00 H new ATOM 0 HB2 SER A 113 95.826 19.770 -1.988 1.00 1.00 H new ATOM 0 HB3 SER A 113 95.466 18.500 -0.835 1.00 1.00 H new ATOM 0 HG SER A 113 96.076 20.933 -0.201 1.00 1.00 H new ATOM 1627 N VAL A 114 97.867 16.781 -3.285 1.00 1.00 N ATOM 1628 CA VAL A 114 97.787 16.219 -4.640 1.00 1.00 C ATOM 1629 C VAL A 114 96.844 15.017 -4.683 1.00 1.00 C ATOM 1630 O VAL A 114 97.257 13.913 -5.036 1.00 1.00 O ATOM 1631 CB VAL A 114 99.181 15.785 -5.109 1.00 1.00 C ATOM 1632 CG1 VAL A 114 99.162 15.545 -6.620 1.00 1.00 C ATOM 1633 CG2 VAL A 114 100.209 16.875 -4.782 1.00 1.00 C ATOM 0 H VAL A 114 98.344 16.188 -2.605 1.00 1.00 H new ATOM 0 HA VAL A 114 97.397 16.992 -5.302 1.00 1.00 H new ATOM 0 HB VAL A 114 99.457 14.865 -4.594 1.00 1.00 H new ATOM 0 HG11 VAL A 114 100.153 15.237 -6.952 1.00 1.00 H new ATOM 0 HG12 VAL A 114 98.441 14.762 -6.855 1.00 1.00 H new ATOM 0 HG13 VAL A 114 98.878 16.465 -7.131 1.00 1.00 H new ATOM 0 HG21 VAL A 114 101.196 16.557 -5.119 1.00 1.00 H new ATOM 0 HG22 VAL A 114 99.933 17.800 -5.289 1.00 1.00 H new ATOM 0 HG23 VAL A 114 100.230 17.044 -3.705 1.00 1.00 H new ATOM 1637 N GLY A 115 95.577 15.232 -4.334 1.00 1.00 N ATOM 1638 CA GLY A 115 94.606 14.141 -4.357 1.00 1.00 C ATOM 1639 C GLY A 115 93.299 14.524 -3.667 1.00 1.00 C ATOM 1640 O GLY A 115 93.135 15.649 -3.196 1.00 1.00 O ATOM 0 H GLY A 115 95.204 16.134 -4.037 1.00 1.00 H new ATOM 0 HA2 GLY A 115 94.402 13.859 -5.390 1.00 1.00 H new ATOM 0 HA3 GLY A 115 95.032 13.266 -3.866 1.00 1.00 H new ATOM 1644 N GLY A 116 92.380 13.564 -3.611 1.00 1.00 N ATOM 1645 CA GLY A 116 91.078 13.768 -2.977 1.00 1.00 C ATOM 1646 C GLY A 116 91.237 14.206 -1.514 1.00 1.00 C ATOM 1647 O GLY A 116 91.536 15.372 -1.250 1.00 1.00 O ATOM 0 H GLY A 116 92.513 12.630 -4.000 1.00 1.00 H new ATOM 0 HA2 GLY A 116 90.517 14.524 -3.527 1.00 1.00 H new ATOM 0 HA3 GLY A 116 90.499 12.845 -3.023 1.00 1.00 H new ATOM 1651 N PRO A 117 91.017 13.319 -0.557 1.00 1.00 N ATOM 1652 CA PRO A 117 91.113 13.657 0.896 1.00 1.00 C ATOM 1653 C PRO A 117 92.527 14.070 1.271 1.00 1.00 C ATOM 1654 O PRO A 117 92.759 14.636 2.339 1.00 1.00 O ATOM 1655 CB PRO A 117 90.697 12.367 1.604 1.00 1.00 C ATOM 1656 CG PRO A 117 91.025 11.310 0.621 1.00 1.00 C ATOM 1657 CD PRO A 117 90.681 11.898 -0.730 1.00 1.00 C ATOM 0 HA PRO A 117 90.484 14.502 1.174 1.00 1.00 H new ATOM 0 HB2 PRO A 117 91.241 12.229 2.538 1.00 1.00 H new ATOM 0 HB3 PRO A 117 89.635 12.369 1.851 1.00 1.00 H new ATOM 0 HG2 PRO A 117 92.079 11.037 0.674 1.00 1.00 H new ATOM 0 HG3 PRO A 117 90.451 10.403 0.813 1.00 1.00 H new ATOM 0 HD2 PRO A 117 91.261 11.439 -1.531 1.00 1.00 H new ATOM 0 HD3 PRO A 117 89.629 11.758 -0.977 1.00 1.00 H new ATOM 1665 N ILE A 118 93.467 13.792 0.377 1.00 1.00 N ATOM 1666 CA ILE A 118 94.851 14.149 0.624 1.00 1.00 C ATOM 1667 C ILE A 118 94.954 15.665 0.654 1.00 1.00 C ATOM 1668 O ILE A 118 94.700 16.339 -0.344 1.00 1.00 O ATOM 1669 CB ILE A 118 95.769 13.617 -0.486 1.00 1.00 C ATOM 1670 CG1 ILE A 118 95.666 12.078 -0.591 1.00 1.00 C ATOM 1671 CG2 ILE A 118 97.203 13.996 -0.138 1.00 1.00 C ATOM 1672 CD1 ILE A 118 94.581 11.648 -1.592 1.00 1.00 C ATOM 0 H ILE A 118 93.296 13.326 -0.514 1.00 1.00 H new ATOM 0 HA ILE A 118 95.164 13.710 1.571 1.00 1.00 H new ATOM 0 HB ILE A 118 95.470 14.050 -1.441 1.00 1.00 H new ATOM 0 HG12 ILE A 118 96.628 11.669 -0.899 1.00 1.00 H new ATOM 0 HG13 ILE A 118 95.442 11.660 0.391 1.00 1.00 H new ATOM 0 HG21 ILE A 118 97.875 13.628 -0.913 1.00 1.00 H new ATOM 0 HG22 ILE A 118 97.286 15.081 -0.070 1.00 1.00 H new ATOM 0 HG23 ILE A 118 97.475 13.551 0.819 1.00 1.00 H new ATOM 0 HD11 ILE A 118 94.539 10.560 -1.638 1.00 1.00 H new ATOM 0 HD12 ILE A 118 93.614 12.035 -1.270 1.00 1.00 H new ATOM 0 HD13 ILE A 118 94.819 12.044 -2.579 1.00 1.00 H new ATOM 1679 N GLY A 119 95.299 16.190 1.819 1.00 1.00 N ATOM 1680 CA GLY A 119 95.412 17.624 2.019 1.00 1.00 C ATOM 1681 C GLY A 119 96.843 18.102 1.837 1.00 1.00 C ATOM 1682 O GLY A 119 97.716 17.341 1.418 1.00 1.00 O ATOM 0 H GLY A 119 95.508 15.635 2.649 1.00 1.00 H new ATOM 0 HA2 GLY A 119 94.762 18.143 1.314 1.00 1.00 H new ATOM 0 HA3 GLY A 119 95.066 17.881 3.020 1.00 1.00 H new ATOM 1686 N PRO A 120 97.098 19.344 2.151 1.00 1.00 N ATOM 1687 CA PRO A 120 98.462 19.941 2.027 1.00 1.00 C ATOM 1688 C PRO A 120 99.486 19.265 2.949 1.00 1.00 C ATOM 1689 O PRO A 120 99.199 18.998 4.108 1.00 1.00 O ATOM 1690 CB PRO A 120 98.258 21.413 2.426 1.00 1.00 C ATOM 1691 CG PRO A 120 96.982 21.433 3.209 1.00 1.00 C ATOM 1692 CD PRO A 120 96.115 20.319 2.653 1.00 1.00 C ATOM 0 HA PRO A 120 98.865 19.817 1.022 1.00 1.00 H new ATOM 0 HB2 PRO A 120 99.093 21.778 3.024 1.00 1.00 H new ATOM 0 HB3 PRO A 120 98.191 22.054 1.547 1.00 1.00 H new ATOM 0 HG2 PRO A 120 97.176 21.280 4.271 1.00 1.00 H new ATOM 0 HG3 PRO A 120 96.483 22.397 3.112 1.00 1.00 H new ATOM 0 HD2 PRO A 120 95.475 19.886 3.421 1.00 1.00 H new ATOM 0 HD3 PRO A 120 95.461 20.677 1.858 1.00 1.00 H new ATOM 1700 N ASN A 121 100.688 19.030 2.433 1.00 1.00 N ATOM 1701 CA ASN A 121 101.748 18.418 3.239 1.00 1.00 C ATOM 1702 C ASN A 121 101.276 17.117 3.879 1.00 1.00 C ATOM 1703 O ASN A 121 101.406 16.928 5.087 1.00 1.00 O ATOM 1704 CB ASN A 121 102.197 19.390 4.333 1.00 1.00 C ATOM 1705 CG ASN A 121 103.547 18.960 4.899 1.00 1.00 C ATOM 1706 OD1 ASN A 121 104.401 19.801 5.175 1.00 1.00 O ATOM 1707 ND2 ASN A 121 103.791 17.693 5.087 1.00 1.00 N ATOM 0 H ASN A 121 100.954 19.249 1.473 1.00 1.00 H new ATOM 0 HA ASN A 121 102.585 18.192 2.578 1.00 1.00 H new ATOM 0 HB2 ASN A 121 102.270 20.399 3.926 1.00 1.00 H new ATOM 0 HB3 ASN A 121 101.454 19.421 5.130 1.00 1.00 H new ATOM 0 HD21 ASN A 121 104.692 17.397 5.464 1.00 1.00 H new ATOM 0 HD22 ASN A 121 103.081 16.997 4.857 1.00 1.00 H new ATOM 1714 N GLU A 122 100.721 16.227 3.063 1.00 1.00 N ATOM 1715 CA GLU A 122 100.221 14.944 3.559 1.00 1.00 C ATOM 1716 C GLU A 122 101.248 13.828 3.368 1.00 1.00 C ATOM 1717 O GLU A 122 101.741 13.609 2.262 1.00 1.00 O ATOM 1718 CB GLU A 122 98.953 14.543 2.776 1.00 1.00 C ATOM 1719 CG GLU A 122 97.692 14.653 3.627 1.00 1.00 C ATOM 1720 CD GLU A 122 97.388 16.095 3.903 1.00 1.00 C ATOM 1721 OE1 GLU A 122 96.286 16.367 4.348 1.00 1.00 O ATOM 1722 OE2 GLU A 122 98.261 16.911 3.666 1.00 1.00 O ATOM 0 H GLU A 122 100.605 16.367 2.059 1.00 1.00 H new ATOM 0 HA GLU A 122 100.011 15.068 4.621 1.00 1.00 H new ATOM 0 HB2 GLU A 122 98.853 15.181 1.898 1.00 1.00 H new ATOM 0 HB3 GLU A 122 99.059 13.519 2.416 1.00 1.00 H new ATOM 0 HG2 GLU A 122 96.852 14.188 3.111 1.00 1.00 H new ATOM 0 HG3 GLU A 122 97.827 14.115 4.565 1.00 1.00 H new ATOM 1729 N THR A 123 101.484 13.069 4.427 1.00 1.00 N ATOM 1730 CA THR A 123 102.357 11.908 4.339 1.00 1.00 C ATOM 1731 C THR A 123 101.457 10.699 4.118 1.00 1.00 C ATOM 1732 O THR A 123 100.491 10.504 4.853 1.00 1.00 O ATOM 1733 CB THR A 123 103.168 11.741 5.626 1.00 1.00 C ATOM 1734 OG1 THR A 123 104.067 12.833 5.763 1.00 1.00 O ATOM 1735 CG2 THR A 123 103.960 10.436 5.575 1.00 1.00 C ATOM 0 H THR A 123 101.086 13.234 5.352 1.00 1.00 H new ATOM 0 HA THR A 123 103.070 12.021 3.523 1.00 1.00 H new ATOM 0 HB THR A 123 102.488 11.716 6.478 1.00 1.00 H new ATOM 0 HG1 THR A 123 104.347 12.911 6.699 1.00 1.00 H new ATOM 0 HG21 THR A 123 104.535 10.323 6.494 1.00 1.00 H new ATOM 0 HG22 THR A 123 103.272 9.597 5.472 1.00 1.00 H new ATOM 0 HG23 THR A 123 104.639 10.455 4.722 1.00 1.00 H new ATOM 1743 N LEU A 124 101.759 9.898 3.102 1.00 1.00 N ATOM 1744 CA LEU A 124 100.944 8.714 2.795 1.00 1.00 C ATOM 1745 C LEU A 124 101.724 7.428 3.063 1.00 1.00 C ATOM 1746 O LEU A 124 102.903 7.317 2.723 1.00 1.00 O ATOM 1747 CB LEU A 124 100.525 8.706 1.311 1.00 1.00 C ATOM 1748 CG LEU A 124 99.653 9.925 0.902 1.00 1.00 C ATOM 1749 CD1 LEU A 124 98.673 10.315 1.994 1.00 1.00 C ATOM 1750 CD2 LEU A 124 100.527 11.131 0.583 1.00 1.00 C ATOM 0 H LEU A 124 102.554 10.039 2.478 1.00 1.00 H new ATOM 0 HA LEU A 124 100.064 8.760 3.436 1.00 1.00 H new ATOM 0 HB2 LEU A 124 101.420 8.686 0.690 1.00 1.00 H new ATOM 0 HB3 LEU A 124 99.973 7.789 1.103 1.00 1.00 H new ATOM 0 HG LEU A 124 99.093 9.623 0.017 1.00 1.00 H new ATOM 0 HD11 LEU A 124 98.084 11.171 1.665 1.00 1.00 H new ATOM 0 HD12 LEU A 124 98.009 9.477 2.203 1.00 1.00 H new ATOM 0 HD13 LEU A 124 99.222 10.578 2.898 1.00 1.00 H new ATOM 0 HD21 LEU A 124 99.896 11.973 0.299 1.00 1.00 H new ATOM 0 HD22 LEU A 124 101.114 11.398 1.462 1.00 1.00 H new ATOM 0 HD23 LEU A 124 101.198 10.887 -0.241 1.00 1.00 H new ATOM 1762 N ILE A 125 101.036 6.444 3.644 1.00 1.00 N ATOM 1763 CA ILE A 125 101.624 5.140 3.935 1.00 1.00 C ATOM 1764 C ILE A 125 100.882 4.077 3.161 1.00 1.00 C ATOM 1765 O ILE A 125 99.675 4.178 2.963 1.00 1.00 O ATOM 1766 CB ILE A 125 101.504 4.815 5.435 1.00 1.00 C ATOM 1767 CG1 ILE A 125 101.629 3.285 5.656 1.00 1.00 C ATOM 1768 CG2 ILE A 125 100.139 5.275 5.943 1.00 1.00 C ATOM 1769 CD1 ILE A 125 101.845 2.938 7.123 1.00 1.00 C ATOM 0 H ILE A 125 100.059 6.530 3.924 1.00 1.00 H new ATOM 0 HA ILE A 125 102.676 5.164 3.651 1.00 1.00 H new ATOM 0 HB ILE A 125 102.300 5.328 5.975 1.00 1.00 H new ATOM 0 HG12 ILE A 125 100.727 2.791 5.295 1.00 1.00 H new ATOM 0 HG13 ILE A 125 102.460 2.900 5.066 1.00 1.00 H new ATOM 0 HG21 ILE A 125 100.050 5.047 7.005 1.00 1.00 H new ATOM 0 HG22 ILE A 125 100.038 6.350 5.793 1.00 1.00 H new ATOM 0 HG23 ILE A 125 99.353 4.757 5.394 1.00 1.00 H new ATOM 0 HD11 ILE A 125 101.927 1.857 7.233 1.00 1.00 H new ATOM 0 HD12 ILE A 125 102.762 3.409 7.477 1.00 1.00 H new ATOM 0 HD13 ILE A 125 101.001 3.299 7.710 1.00 1.00 H new ATOM 1776 N PHE A 126 101.601 3.036 2.760 1.00 1.00 N ATOM 1777 CA PHE A 126 100.971 1.936 2.048 1.00 1.00 C ATOM 1778 C PHE A 126 101.483 0.586 2.534 1.00 1.00 C ATOM 1779 O PHE A 126 102.639 0.459 2.939 1.00 1.00 O ATOM 1780 CB PHE A 126 101.243 2.047 0.555 1.00 1.00 C ATOM 1781 CG PHE A 126 101.234 3.490 0.138 1.00 1.00 C ATOM 1782 CD1 PHE A 126 100.168 4.008 -0.608 1.00 1.00 C ATOM 1783 CD2 PHE A 126 102.307 4.306 0.485 1.00 1.00 C ATOM 1784 CE1 PHE A 126 100.186 5.350 -1.006 1.00 1.00 C ATOM 1785 CE2 PHE A 126 102.320 5.642 0.091 1.00 1.00 C ATOM 1786 CZ PHE A 126 101.266 6.163 -0.653 1.00 1.00 C ATOM 0 H PHE A 126 102.604 2.932 2.913 1.00 1.00 H new ATOM 0 HA PHE A 126 99.900 2.000 2.243 1.00 1.00 H new ATOM 0 HB2 PHE A 126 102.207 1.597 0.318 1.00 1.00 H new ATOM 0 HB3 PHE A 126 100.488 1.494 -0.003 1.00 1.00 H new ATOM 0 HD1 PHE A 126 99.335 3.375 -0.875 1.00 1.00 H new ATOM 0 HD2 PHE A 126 103.129 3.904 1.059 1.00 1.00 H new ATOM 0 HE1 PHE A 126 99.368 5.755 -1.584 1.00 1.00 H new ATOM 0 HE2 PHE A 126 103.151 6.276 0.364 1.00 1.00 H new ATOM 0 HZ PHE A 126 101.283 7.199 -0.958 1.00 1.00 H new ATOM 1796 N LYS A 127 100.626 -0.437 2.436 1.00 1.00 N ATOM 1797 CA LYS A 127 101.007 -1.780 2.807 1.00 1.00 C ATOM 1798 C LYS A 127 101.309 -2.490 1.519 1.00 1.00 C ATOM 1799 O LYS A 127 100.483 -2.479 0.617 1.00 1.00 O ATOM 1800 CB LYS A 127 99.872 -2.519 3.565 1.00 1.00 C ATOM 1801 CG LYS A 127 98.783 -1.553 4.023 1.00 1.00 C ATOM 1802 CD LYS A 127 99.330 -0.564 5.071 1.00 1.00 C ATOM 1803 CE LYS A 127 98.214 0.379 5.515 1.00 1.00 C ATOM 1804 NZ LYS A 127 98.739 1.316 6.546 1.00 1.00 N ATOM 0 H LYS A 127 99.667 -0.347 2.101 1.00 1.00 H new ATOM 0 HA LYS A 127 101.863 -1.759 3.482 1.00 1.00 H new ATOM 0 HB2 LYS A 127 99.436 -3.280 2.917 1.00 1.00 H new ATOM 0 HB3 LYS A 127 100.288 -3.037 4.430 1.00 1.00 H new ATOM 0 HG2 LYS A 127 98.395 -1.003 3.166 1.00 1.00 H new ATOM 0 HG3 LYS A 127 97.949 -2.113 4.446 1.00 1.00 H new ATOM 0 HD2 LYS A 127 99.723 -1.108 5.930 1.00 1.00 H new ATOM 0 HD3 LYS A 127 100.157 0.008 4.650 1.00 1.00 H new ATOM 0 HE2 LYS A 127 97.833 0.938 4.660 1.00 1.00 H new ATOM 0 HE3 LYS A 127 97.379 -0.193 5.919 1.00 1.00 H new ATOM 0 HZ1 LYS A 127 98.390 2.276 6.352 1.00 1.00 H new ATOM 0 HZ2 LYS A 127 98.415 1.014 7.487 1.00 1.00 H new ATOM 0 HZ3 LYS A 127 99.779 1.314 6.520 1.00 1.00 H new ATOM 1818 N ILE A 128 102.505 -3.045 1.390 1.00 1.00 N ATOM 1819 CA ILE A 128 102.871 -3.685 0.129 1.00 1.00 C ATOM 1820 C ILE A 128 103.130 -5.174 0.280 1.00 1.00 C ATOM 1821 O ILE A 128 103.951 -5.607 1.083 1.00 1.00 O ATOM 1822 CB ILE A 128 104.102 -2.972 -0.464 1.00 1.00 C ATOM 1823 CG1 ILE A 128 103.963 -1.463 -0.149 1.00 1.00 C ATOM 1824 CG2 ILE A 128 104.129 -3.210 -1.981 1.00 1.00 C ATOM 1825 CD1 ILE A 128 105.054 -0.619 -0.818 1.00 1.00 C ATOM 0 H ILE A 128 103.221 -3.068 2.116 1.00 1.00 H new ATOM 0 HA ILE A 128 102.025 -3.591 -0.552 1.00 1.00 H new ATOM 0 HB ILE A 128 105.030 -3.353 -0.038 1.00 1.00 H new ATOM 0 HG12 ILE A 128 102.985 -1.115 -0.481 1.00 1.00 H new ATOM 0 HG13 ILE A 128 104.005 -1.315 0.930 1.00 1.00 H new ATOM 0 HG21 ILE A 128 104.996 -2.710 -2.412 1.00 1.00 H new ATOM 0 HG22 ILE A 128 104.191 -4.280 -2.180 1.00 1.00 H new ATOM 0 HG23 ILE A 128 103.219 -2.809 -2.428 1.00 1.00 H new ATOM 0 HD11 ILE A 128 104.909 0.431 -0.564 1.00 1.00 H new ATOM 0 HD12 ILE A 128 106.033 -0.945 -0.467 1.00 1.00 H new ATOM 0 HD13 ILE A 128 104.997 -0.742 -1.900 1.00 1.00 H new ATOM 1832 N HIS A 129 102.412 -5.938 -0.540 1.00 1.00 N ATOM 1833 CA HIS A 129 102.524 -7.392 -0.591 1.00 1.00 C ATOM 1834 C HIS A 129 102.996 -7.792 -1.985 1.00 1.00 C ATOM 1835 O HIS A 129 102.373 -7.409 -2.974 1.00 1.00 O ATOM 1836 CB HIS A 129 101.153 -8.016 -0.328 1.00 1.00 C ATOM 1837 CG HIS A 129 101.224 -9.497 -0.572 1.00 1.00 C ATOM 1838 ND1 HIS A 129 100.180 -10.183 -1.167 1.00 1.00 N ATOM 1839 CD2 HIS A 129 102.222 -10.428 -0.369 1.00 1.00 C ATOM 1840 CE1 HIS A 129 100.562 -11.458 -1.312 1.00 1.00 C ATOM 1841 NE2 HIS A 129 101.796 -11.668 -0.851 1.00 1.00 N ATOM 0 H HIS A 129 101.728 -5.559 -1.195 1.00 1.00 H new ATOM 0 HA HIS A 129 103.231 -7.739 0.162 1.00 1.00 H new ATOM 0 HB2 HIS A 129 100.843 -7.820 0.698 1.00 1.00 H new ATOM 0 HB3 HIS A 129 100.405 -7.564 -0.979 1.00 1.00 H new ATOM 0 HD2 HIS A 129 103.180 -10.230 0.089 1.00 1.00 H new ATOM 0 HE1 HIS A 129 99.943 -12.227 -1.751 1.00 1.00 H new ATOM 0 HE2 HIS A 129 102.317 -12.545 -0.851 1.00 1.00 H new ATOM 1849 N LEU A 130 104.102 -8.543 -2.086 1.00 1.00 N ATOM 1850 CA LEU A 130 104.603 -8.933 -3.418 1.00 1.00 C ATOM 1851 C LEU A 130 104.116 -10.316 -3.853 1.00 1.00 C ATOM 1852 O LEU A 130 104.497 -11.333 -3.275 1.00 1.00 O ATOM 1853 CB LEU A 130 106.150 -8.912 -3.463 1.00 1.00 C ATOM 1854 CG LEU A 130 106.652 -7.957 -4.552 1.00 1.00 C ATOM 1855 CD1 LEU A 130 108.171 -7.767 -4.439 1.00 1.00 C ATOM 1856 CD2 LEU A 130 106.320 -8.559 -5.913 1.00 1.00 C ATOM 0 H LEU A 130 104.651 -8.883 -1.297 1.00 1.00 H new ATOM 0 HA LEU A 130 104.201 -8.195 -4.112 1.00 1.00 H new ATOM 0 HB2 LEU A 130 106.542 -8.603 -2.494 1.00 1.00 H new ATOM 0 HB3 LEU A 130 106.526 -9.917 -3.653 1.00 1.00 H new ATOM 0 HG LEU A 130 106.170 -6.987 -4.434 1.00 1.00 H new ATOM 0 HD11 LEU A 130 108.512 -7.086 -5.219 1.00 1.00 H new ATOM 0 HD12 LEU A 130 108.414 -7.349 -3.462 1.00 1.00 H new ATOM 0 HD13 LEU A 130 108.668 -8.730 -4.556 1.00 1.00 H new ATOM 0 HD21 LEU A 130 106.670 -7.892 -6.701 1.00 1.00 H new ATOM 0 HD22 LEU A 130 106.811 -9.527 -6.012 1.00 1.00 H new ATOM 0 HD23 LEU A 130 105.241 -8.688 -6.000 1.00 1.00 H new ATOM 1868 N ILE A 131 103.300 -10.337 -4.904 1.00 1.00 N ATOM 1869 CA ILE A 131 102.790 -11.583 -5.452 1.00 1.00 C ATOM 1870 C ILE A 131 103.653 -12.061 -6.625 1.00 1.00 C ATOM 1871 O ILE A 131 103.961 -13.249 -6.728 1.00 1.00 O ATOM 1872 CB ILE A 131 101.344 -11.383 -5.897 1.00 1.00 C ATOM 1873 CG1 ILE A 131 100.458 -11.106 -4.670 1.00 1.00 C ATOM 1874 CG2 ILE A 131 100.854 -12.650 -6.582 1.00 1.00 C ATOM 1875 CD1 ILE A 131 100.479 -9.635 -4.292 1.00 1.00 C ATOM 0 H ILE A 131 102.979 -9.501 -5.392 1.00 1.00 H new ATOM 0 HA ILE A 131 102.828 -12.351 -4.680 1.00 1.00 H new ATOM 0 HB ILE A 131 101.291 -10.539 -6.585 1.00 1.00 H new ATOM 0 HG12 ILE A 131 99.434 -11.414 -4.882 1.00 1.00 H new ATOM 0 HG13 ILE A 131 100.803 -11.705 -3.827 1.00 1.00 H new ATOM 0 HG21 ILE A 131 99.821 -12.514 -6.903 1.00 1.00 H new ATOM 0 HG22 ILE A 131 101.479 -12.859 -7.450 1.00 1.00 H new ATOM 0 HG23 ILE A 131 100.910 -13.486 -5.885 1.00 1.00 H new ATOM 0 HD11 ILE A 131 99.843 -9.474 -3.422 1.00 1.00 H new ATOM 0 HD12 ILE A 131 101.500 -9.334 -4.056 1.00 1.00 H new ATOM 0 HD13 ILE A 131 100.109 -9.040 -5.127 1.00 1.00 H new ATOM 1882 N SER A 132 104.045 -11.140 -7.513 1.00 1.00 N ATOM 1883 CA SER A 132 104.871 -11.517 -8.664 1.00 1.00 C ATOM 1884 C SER A 132 105.706 -10.333 -9.160 1.00 1.00 C ATOM 1885 O SER A 132 105.376 -9.174 -8.905 1.00 1.00 O ATOM 1886 CB SER A 132 103.979 -12.041 -9.794 1.00 1.00 C ATOM 1887 OG SER A 132 103.537 -10.957 -10.596 1.00 1.00 O ATOM 0 H SER A 132 103.810 -10.149 -7.459 1.00 1.00 H new ATOM 0 HA SER A 132 105.557 -12.303 -8.348 1.00 1.00 H new ATOM 0 HB2 SER A 132 104.531 -12.756 -10.404 1.00 1.00 H new ATOM 0 HB3 SER A 132 103.122 -12.571 -9.378 1.00 1.00 H new ATOM 0 HG SER A 132 102.968 -11.295 -11.319 1.00 1.00 H new ATOM 1893 N VAL A 133 106.816 -10.640 -9.845 1.00 1.00 N ATOM 1894 CA VAL A 133 107.732 -9.612 -10.351 1.00 1.00 C ATOM 1895 C VAL A 133 108.046 -9.829 -11.826 1.00 1.00 C ATOM 1896 O VAL A 133 108.278 -10.957 -12.262 1.00 1.00 O ATOM 1897 CB VAL A 133 109.040 -9.661 -9.567 1.00 1.00 C ATOM 1898 CG1 VAL A 133 109.965 -8.544 -10.055 1.00 1.00 C ATOM 1899 CG2 VAL A 133 108.722 -9.461 -8.102 1.00 1.00 C ATOM 0 H VAL A 133 107.101 -11.595 -10.061 1.00 1.00 H new ATOM 0 HA VAL A 133 107.246 -8.644 -10.230 1.00 1.00 H new ATOM 0 HB VAL A 133 109.537 -10.620 -9.713 1.00 1.00 H new ATOM 0 HG11 VAL A 133 110.901 -8.576 -9.497 1.00 1.00 H new ATOM 0 HG12 VAL A 133 110.171 -8.680 -11.117 1.00 1.00 H new ATOM 0 HG13 VAL A 133 109.483 -7.579 -9.900 1.00 1.00 H new ATOM 0 HG21 VAL A 133 109.644 -9.492 -7.522 1.00 1.00 H new ATOM 0 HG22 VAL A 133 108.239 -8.494 -7.963 1.00 1.00 H new ATOM 0 HG23 VAL A 133 108.053 -10.252 -7.763 1.00 1.00 H new ATOM 1903 N LYS A 134 108.075 -8.738 -12.585 1.00 1.00 N ATOM 1904 CA LYS A 134 108.387 -8.804 -14.005 1.00 1.00 C ATOM 1905 C LYS A 134 109.867 -8.480 -14.230 1.00 1.00 C ATOM 1906 O LYS A 134 110.716 -8.725 -13.376 1.00 1.00 O ATOM 1907 CB LYS A 134 107.543 -7.777 -14.765 1.00 1.00 C ATOM 1908 CG LYS A 134 107.289 -8.245 -16.211 1.00 1.00 C ATOM 1909 CD LYS A 134 106.070 -9.172 -16.249 1.00 1.00 C ATOM 1910 CE LYS A 134 106.046 -9.940 -17.574 1.00 1.00 C ATOM 1911 NZ LYS A 134 105.814 -8.986 -18.695 1.00 1.00 N ATOM 0 H LYS A 134 107.886 -7.798 -12.238 1.00 1.00 H new ATOM 0 HA LYS A 134 108.169 -9.809 -14.365 1.00 1.00 H new ATOM 0 HB2 LYS A 134 106.592 -7.629 -14.253 1.00 1.00 H new ATOM 0 HB3 LYS A 134 108.053 -6.814 -14.773 1.00 1.00 H new ATOM 0 HG2 LYS A 134 107.123 -7.384 -16.858 1.00 1.00 H new ATOM 0 HG3 LYS A 134 108.166 -8.767 -16.594 1.00 1.00 H new ATOM 0 HD2 LYS A 134 106.106 -9.871 -15.413 1.00 1.00 H new ATOM 0 HD3 LYS A 134 105.155 -8.590 -16.138 1.00 1.00 H new ATOM 0 HE2 LYS A 134 106.989 -10.466 -17.719 1.00 1.00 H new ATOM 0 HE3 LYS A 134 105.260 -10.695 -17.555 1.00 1.00 H new ATOM 0 HZ1 LYS A 134 105.713 -9.514 -19.585 1.00 1.00 H new ATOM 0 HZ2 LYS A 134 104.946 -8.443 -18.514 1.00 1.00 H new ATOM 0 HZ3 LYS A 134 106.621 -8.334 -18.769 1.00 1.00 H new