USER MOD reduce.3.24.130724 H: found=0, std=0, add=748, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 749 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 41 TYR OH : rot 76:sc= 0.219 USER MOD Set 1.2: A 63 ASN : amide:sc= -0.351 X(o=-0.13,f=-0.51) USER MOD Set 2.1: A 20 THR OG1 : rot 170:sc= -1.93 USER MOD Set 2.2: A 23 SER OG : rot -41:sc= -0.168! USER MOD Single : A 9 SER OG : rot 180:sc= -0.597! USER MOD Single : A 10 THR OG1 : rot 116:sc= 0.433 USER MOD Single : A 14 MET CE :methyl 164:sc= -2.04 (180deg=-2.52) USER MOD Single : A 15 HIS : no HD1:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 16 GLN : amide:sc= -1.67! K(o=-1.7!,f=-0.82) USER MOD Single : A 18 SER OG : rot 180:sc= -0.0303 USER MOD Single : A 21 MET CE :methyl 173:sc= -2.06 (180deg=-2.32!) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=-0.0024) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 ASN : amide:sc= -1.6! X(o=-1.6!,f=-1.2) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 HIS : no HD1:sc= -1.65 X(o=-1.6,f=-1.3) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 ASN : amide:sc= -0.164 K(o=-0.16,f=-1.9!) USER MOD Single : A 55 SER OG : rot 25:sc= -0.274 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl -171:sc= -0.795 (180deg=-1.03) USER MOD Single : A 60 SER OG : rot -150:sc= -0.601 USER MOD Single : A 61 GLN : amide:sc= -0.782 X(o=-0.78,f=-0.37) USER MOD Single : A 62 THR OG1 : rot 160:sc= -1.51! USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=-0.074) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 TYR OH : rot -165:sc= 0.642 USER MOD Single : A 90 LYS NZ :NH3+ 163:sc= -0.0135 (180deg=-0.192) USER MOD Single : A 92 SER OG : rot 100:sc= -0.384 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 MET CE :methyl 137:sc= -0.0705 (180deg=-1.21) USER MOD Single : A 96 CYS SG : rot 37:sc= 0.141 USER MOD Single : A 98 GLN : amide:sc= -0.157 K(o=-0.16,f=-0.88) USER MOD Single : A 99 THR OG1 : rot -165:sc= 1.21 USER MOD Single : A 101 THR OG1 : rot 14:sc= 1.01 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -1.788 -17.866 -4.811 1.00 0.00 N ATOM 60 CA GLY A 7 -1.143 -16.705 -5.396 1.00 0.00 C ATOM 61 C GLY A 7 0.287 -16.536 -4.923 1.00 0.00 C ATOM 62 O GLY A 7 0.833 -17.381 -4.213 1.00 0.00 O ATOM 0 HA2 GLY A 7 -1.155 -16.796 -6.482 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -1.714 -15.811 -5.144 1.00 0.00 H new ATOM 66 N PRO A 8 0.919 -15.422 -5.322 1.00 0.00 N ATOM 67 CA PRO A 8 2.303 -15.120 -4.948 1.00 0.00 C ATOM 68 C PRO A 8 2.443 -14.786 -3.466 1.00 0.00 C ATOM 69 O PRO A 8 1.487 -14.351 -2.825 1.00 0.00 O ATOM 70 CB PRO A 8 2.644 -13.899 -5.805 1.00 0.00 C ATOM 71 CG PRO A 8 1.331 -13.253 -6.084 1.00 0.00 C ATOM 72 CD PRO A 8 0.329 -14.372 -6.170 1.00 0.00 C ATOM 0 HA PRO A 8 2.964 -15.971 -5.112 1.00 0.00 H new ATOM 0 HB2 PRO A 8 3.315 -13.221 -5.278 1.00 0.00 H new ATOM 0 HB3 PRO A 8 3.146 -14.191 -6.728 1.00 0.00 H new ATOM 0 HG2 PRO A 8 1.065 -12.551 -5.293 1.00 0.00 H new ATOM 0 HG3 PRO A 8 1.365 -12.687 -7.015 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -0.651 -14.064 -5.805 1.00 0.00 H new ATOM 0 HD3 PRO A 8 0.194 -14.713 -7.196 1.00 0.00 H new ATOM 80 N SER A 9 3.641 -14.993 -2.928 1.00 0.00 N ATOM 81 CA SER A 9 3.905 -14.717 -1.521 1.00 0.00 C ATOM 82 C SER A 9 3.448 -13.310 -1.148 1.00 0.00 C ATOM 83 O SER A 9 3.006 -12.541 -2.002 1.00 0.00 O ATOM 84 CB SER A 9 5.396 -14.879 -1.218 1.00 0.00 C ATOM 85 OG SER A 9 5.732 -14.283 0.023 1.00 0.00 O ATOM 0 H SER A 9 4.444 -15.351 -3.445 1.00 0.00 H new ATOM 0 HA SER A 9 3.341 -15.433 -0.924 1.00 0.00 H new ATOM 0 HB2 SER A 9 5.653 -15.938 -1.198 1.00 0.00 H new ATOM 0 HB3 SER A 9 5.984 -14.423 -2.015 1.00 0.00 H new ATOM 0 HG SER A 9 6.690 -14.402 0.194 1.00 0.00 H new ATOM 91 N THR A 10 3.558 -12.979 0.135 1.00 0.00 N ATOM 92 CA THR A 10 3.156 -11.666 0.623 1.00 0.00 C ATOM 93 C THR A 10 4.085 -11.183 1.731 1.00 0.00 C ATOM 94 O THR A 10 4.611 -11.982 2.505 1.00 0.00 O ATOM 95 CB THR A 10 1.709 -11.682 1.151 1.00 0.00 C ATOM 96 OG1 THR A 10 1.181 -10.351 1.172 1.00 0.00 O ATOM 97 CG2 THR A 10 1.650 -12.278 2.549 1.00 0.00 C ATOM 0 H THR A 10 3.922 -13.603 0.855 1.00 0.00 H new ATOM 0 HA THR A 10 3.218 -10.981 -0.223 1.00 0.00 H new ATOM 0 HB THR A 10 1.109 -12.300 0.484 1.00 0.00 H new ATOM 0 HG1 THR A 10 0.426 -10.289 0.550 1.00 0.00 H new ATOM 0 HG21 THR A 10 0.618 -12.279 2.901 1.00 0.00 H new ATOM 0 HG22 THR A 10 2.026 -13.301 2.525 1.00 0.00 H new ATOM 0 HG23 THR A 10 2.263 -11.682 3.225 1.00 0.00 H new ATOM 105 N VAL A 11 4.281 -9.871 1.802 1.00 0.00 N ATOM 106 CA VAL A 11 5.145 -9.281 2.817 1.00 0.00 C ATOM 107 C VAL A 11 4.583 -9.507 4.216 1.00 0.00 C ATOM 108 O VAL A 11 3.385 -9.368 4.461 1.00 0.00 O ATOM 109 CB VAL A 11 5.329 -7.769 2.589 1.00 0.00 C ATOM 110 CG1 VAL A 11 6.295 -7.188 3.610 1.00 0.00 C ATOM 111 CG2 VAL A 11 5.812 -7.499 1.172 1.00 0.00 C ATOM 0 H VAL A 11 3.853 -9.196 1.168 1.00 0.00 H new ATOM 0 HA VAL A 11 6.113 -9.774 2.733 1.00 0.00 H new ATOM 0 HB VAL A 11 4.364 -7.280 2.719 1.00 0.00 H new ATOM 0 HG11 VAL A 11 6.412 -6.119 3.433 1.00 0.00 H new ATOM 0 HG12 VAL A 11 5.903 -7.348 4.614 1.00 0.00 H new ATOM 0 HG13 VAL A 11 7.263 -7.680 3.516 1.00 0.00 H new ATOM 0 HG21 VAL A 11 5.937 -6.426 1.028 1.00 0.00 H new ATOM 0 HG22 VAL A 11 6.767 -8.000 1.011 1.00 0.00 H new ATOM 0 HG23 VAL A 11 5.079 -7.878 0.459 1.00 0.00 H new ATOM 121 N PRO A 12 5.468 -9.865 5.159 1.00 0.00 N ATOM 122 CA PRO A 12 5.084 -10.118 6.550 1.00 0.00 C ATOM 123 C PRO A 12 4.675 -8.843 7.280 1.00 0.00 C ATOM 124 O PRO A 12 3.637 -8.800 7.940 1.00 0.00 O ATOM 125 CB PRO A 12 6.356 -10.704 7.169 1.00 0.00 C ATOM 126 CG PRO A 12 7.465 -10.169 6.331 1.00 0.00 C ATOM 127 CD PRO A 12 6.912 -10.050 4.938 1.00 0.00 C ATOM 0 HA PRO A 12 4.218 -10.776 6.620 1.00 0.00 H new ATOM 0 HB2 PRO A 12 6.465 -10.402 8.211 1.00 0.00 H new ATOM 0 HB3 PRO A 12 6.338 -11.794 7.154 1.00 0.00 H new ATOM 0 HG2 PRO A 12 7.801 -9.201 6.701 1.00 0.00 H new ATOM 0 HG3 PRO A 12 8.327 -10.836 6.353 1.00 0.00 H new ATOM 0 HD2 PRO A 12 7.348 -9.206 4.403 1.00 0.00 H new ATOM 0 HD3 PRO A 12 7.117 -10.942 4.347 1.00 0.00 H new ATOM 135 N ILE A 13 5.498 -7.807 7.156 1.00 0.00 N ATOM 136 CA ILE A 13 5.220 -6.530 7.803 1.00 0.00 C ATOM 137 C ILE A 13 5.661 -5.363 6.926 1.00 0.00 C ATOM 138 O ILE A 13 6.399 -5.544 5.958 1.00 0.00 O ATOM 139 CB ILE A 13 5.924 -6.426 9.169 1.00 0.00 C ATOM 140 CG1 ILE A 13 5.417 -5.204 9.936 1.00 0.00 C ATOM 141 CG2 ILE A 13 7.432 -6.354 8.983 1.00 0.00 C ATOM 142 CD1 ILE A 13 5.507 -5.353 11.439 1.00 0.00 C ATOM 0 H ILE A 13 6.362 -7.827 6.614 1.00 0.00 H new ATOM 0 HA ILE A 13 4.142 -6.481 7.955 1.00 0.00 H new ATOM 0 HB ILE A 13 5.692 -7.318 9.750 1.00 0.00 H new ATOM 0 HG12 ILE A 13 5.992 -4.330 9.631 1.00 0.00 H new ATOM 0 HG13 ILE A 13 4.380 -5.016 9.659 1.00 0.00 H new ATOM 0 HG21 ILE A 13 7.916 -6.281 9.957 1.00 0.00 H new ATOM 0 HG22 ILE A 13 7.779 -7.252 8.472 1.00 0.00 H new ATOM 0 HG23 ILE A 13 7.684 -5.477 8.386 1.00 0.00 H new ATOM 0 HD11 ILE A 13 5.130 -4.449 11.917 1.00 0.00 H new ATOM 0 HD12 ILE A 13 4.909 -6.207 11.756 1.00 0.00 H new ATOM 0 HD13 ILE A 13 6.546 -5.510 11.727 1.00 0.00 H new ATOM 154 N MET A 14 5.204 -4.164 7.274 1.00 0.00 N ATOM 155 CA MET A 14 5.554 -2.966 6.520 1.00 0.00 C ATOM 156 C MET A 14 6.318 -1.977 7.395 1.00 0.00 C ATOM 157 O MET A 14 6.034 -1.838 8.585 1.00 0.00 O ATOM 158 CB MET A 14 4.293 -2.302 5.962 1.00 0.00 C ATOM 159 CG MET A 14 3.685 -3.047 4.784 1.00 0.00 C ATOM 160 SD MET A 14 2.382 -2.108 3.966 1.00 0.00 S ATOM 161 CE MET A 14 3.331 -1.205 2.745 1.00 0.00 C ATOM 0 H MET A 14 4.591 -3.997 8.072 1.00 0.00 H new ATOM 0 HA MET A 14 6.197 -3.263 5.691 1.00 0.00 H new ATOM 0 HB2 MET A 14 3.550 -2.226 6.756 1.00 0.00 H new ATOM 0 HB3 MET A 14 4.534 -1.285 5.653 1.00 0.00 H new ATOM 0 HG2 MET A 14 4.468 -3.279 4.062 1.00 0.00 H new ATOM 0 HG3 MET A 14 3.280 -3.998 5.130 1.00 0.00 H new ATOM 0 HE1 MET A 14 2.659 -0.805 1.985 1.00 0.00 H new ATOM 0 HE2 MET A 14 3.861 -0.385 3.230 1.00 0.00 H new ATOM 0 HE3 MET A 14 4.051 -1.875 2.276 1.00 0.00 H new ATOM 171 N HIS A 15 7.288 -1.292 6.798 1.00 0.00 N ATOM 172 CA HIS A 15 8.093 -0.316 7.523 1.00 0.00 C ATOM 173 C HIS A 15 7.977 1.065 6.885 1.00 0.00 C ATOM 174 O HIS A 15 8.072 1.205 5.666 1.00 0.00 O ATOM 175 CB HIS A 15 9.558 -0.754 7.556 1.00 0.00 C ATOM 176 CG HIS A 15 9.783 -2.033 8.303 1.00 0.00 C ATOM 177 ND1 HIS A 15 9.463 -2.194 9.634 1.00 0.00 N ATOM 178 CD2 HIS A 15 10.299 -3.216 7.896 1.00 0.00 C ATOM 179 CE1 HIS A 15 9.774 -3.420 10.015 1.00 0.00 C ATOM 180 NE2 HIS A 15 10.283 -4.061 8.978 1.00 0.00 N ATOM 0 H HIS A 15 7.536 -1.395 5.814 1.00 0.00 H new ATOM 0 HA HIS A 15 7.716 -0.258 8.544 1.00 0.00 H new ATOM 0 HB2 HIS A 15 9.917 -0.872 6.534 1.00 0.00 H new ATOM 0 HB3 HIS A 15 10.155 0.035 8.014 1.00 0.00 H new ATOM 0 HD2 HIS A 15 10.657 -3.452 6.905 1.00 0.00 H new ATOM 0 HE1 HIS A 15 9.636 -3.829 11.005 1.00 0.00 H new ATOM 0 HE2 HIS A 15 10.611 -5.027 8.981 1.00 0.00 H new ATOM 189 N GLN A 16 7.772 2.081 7.717 1.00 0.00 N ATOM 190 CA GLN A 16 7.642 3.450 7.233 1.00 0.00 C ATOM 191 C GLN A 16 8.986 4.170 7.268 1.00 0.00 C ATOM 192 O GLN A 16 9.743 4.047 8.231 1.00 0.00 O ATOM 193 CB GLN A 16 6.619 4.216 8.073 1.00 0.00 C ATOM 194 CG GLN A 16 6.866 5.715 8.116 1.00 0.00 C ATOM 195 CD GLN A 16 5.590 6.512 8.305 1.00 0.00 C ATOM 196 OE1 GLN A 16 4.970 6.470 9.368 1.00 0.00 O ATOM 197 NE2 GLN A 16 5.191 7.244 7.271 1.00 0.00 N ATOM 0 H GLN A 16 7.692 1.982 8.729 1.00 0.00 H new ATOM 0 HA GLN A 16 7.297 3.411 6.200 1.00 0.00 H new ATOM 0 HB2 GLN A 16 5.622 4.032 7.673 1.00 0.00 H new ATOM 0 HB3 GLN A 16 6.631 3.825 9.090 1.00 0.00 H new ATOM 0 HG2 GLN A 16 7.556 5.942 8.929 1.00 0.00 H new ATOM 0 HG3 GLN A 16 7.350 6.026 7.190 1.00 0.00 H new ATOM 0 HE21 GLN A 16 5.736 7.249 6.409 1.00 0.00 H new ATOM 0 HE22 GLN A 16 4.339 7.801 7.339 1.00 0.00 H new ATOM 206 N VAL A 17 9.277 4.921 6.211 1.00 0.00 N ATOM 207 CA VAL A 17 10.530 5.661 6.120 1.00 0.00 C ATOM 208 C VAL A 17 10.327 7.130 6.472 1.00 0.00 C ATOM 209 O VAL A 17 11.131 7.724 7.191 1.00 0.00 O ATOM 210 CB VAL A 17 11.140 5.562 4.709 1.00 0.00 C ATOM 211 CG1 VAL A 17 12.466 6.305 4.647 1.00 0.00 C ATOM 212 CG2 VAL A 17 11.316 4.106 4.306 1.00 0.00 C ATOM 0 H VAL A 17 8.662 5.033 5.405 1.00 0.00 H new ATOM 0 HA VAL A 17 11.216 5.210 6.836 1.00 0.00 H new ATOM 0 HB VAL A 17 10.455 6.031 4.002 1.00 0.00 H new ATOM 0 HG11 VAL A 17 12.882 6.224 3.643 1.00 0.00 H new ATOM 0 HG12 VAL A 17 12.306 7.355 4.890 1.00 0.00 H new ATOM 0 HG13 VAL A 17 13.161 5.869 5.364 1.00 0.00 H new ATOM 0 HG21 VAL A 17 11.748 4.055 3.307 1.00 0.00 H new ATOM 0 HG22 VAL A 17 11.980 3.610 5.014 1.00 0.00 H new ATOM 0 HG23 VAL A 17 10.346 3.608 4.308 1.00 0.00 H new ATOM 222 N SER A 18 9.246 7.712 5.962 1.00 0.00 N ATOM 223 CA SER A 18 8.939 9.114 6.219 1.00 0.00 C ATOM 224 C SER A 18 7.487 9.425 5.867 1.00 0.00 C ATOM 225 O SER A 18 6.730 8.539 5.471 1.00 0.00 O ATOM 226 CB SER A 18 9.875 10.019 5.417 1.00 0.00 C ATOM 227 OG SER A 18 9.740 11.373 5.815 1.00 0.00 O ATOM 0 H SER A 18 8.568 7.234 5.368 1.00 0.00 H new ATOM 0 HA SER A 18 9.086 9.303 7.282 1.00 0.00 H new ATOM 0 HB2 SER A 18 10.907 9.696 5.558 1.00 0.00 H new ATOM 0 HB3 SER A 18 9.654 9.925 4.354 1.00 0.00 H new ATOM 0 HG SER A 18 10.350 11.931 5.289 1.00 0.00 H new ATOM 233 N ALA A 19 7.107 10.689 6.015 1.00 0.00 N ATOM 234 CA ALA A 19 5.747 11.119 5.711 1.00 0.00 C ATOM 235 C ALA A 19 5.629 12.639 5.756 1.00 0.00 C ATOM 236 O ALA A 19 6.438 13.317 6.390 1.00 0.00 O ATOM 237 CB ALA A 19 4.764 10.482 6.682 1.00 0.00 C ATOM 0 H ALA A 19 7.721 11.434 6.344 1.00 0.00 H new ATOM 0 HA ALA A 19 5.506 10.792 4.700 1.00 0.00 H new ATOM 0 HB1 ALA A 19 3.753 10.811 6.444 1.00 0.00 H new ATOM 0 HB2 ALA A 19 4.821 9.397 6.598 1.00 0.00 H new ATOM 0 HB3 ALA A 19 5.013 10.781 7.700 1.00 0.00 H new ATOM 243 N THR A 20 4.615 13.169 5.079 1.00 0.00 N ATOM 244 CA THR A 20 4.392 14.609 5.040 1.00 0.00 C ATOM 245 C THR A 20 3.035 14.971 5.633 1.00 0.00 C ATOM 246 O THR A 20 2.322 14.109 6.147 1.00 0.00 O ATOM 247 CB THR A 20 4.472 15.151 3.601 1.00 0.00 C ATOM 248 OG1 THR A 20 3.336 14.711 2.848 1.00 0.00 O ATOM 249 CG2 THR A 20 5.750 14.688 2.918 1.00 0.00 C ATOM 0 H THR A 20 3.935 12.622 4.550 1.00 0.00 H new ATOM 0 HA THR A 20 5.180 15.067 5.637 1.00 0.00 H new ATOM 0 HB THR A 20 4.478 16.240 3.646 1.00 0.00 H new ATOM 0 HG1 THR A 20 3.308 15.185 1.991 1.00 0.00 H new ATOM 0 HG21 THR A 20 5.784 15.083 1.903 1.00 0.00 H new ATOM 0 HG22 THR A 20 6.613 15.050 3.477 1.00 0.00 H new ATOM 0 HG23 THR A 20 5.770 13.599 2.884 1.00 0.00 H new ATOM 257 N MET A 21 2.684 16.250 5.558 1.00 0.00 N ATOM 258 CA MET A 21 1.410 16.726 6.086 1.00 0.00 C ATOM 259 C MET A 21 0.276 16.445 5.104 1.00 0.00 C ATOM 260 O MET A 21 -0.893 16.413 5.486 1.00 0.00 O ATOM 261 CB MET A 21 1.484 18.224 6.382 1.00 0.00 C ATOM 262 CG MET A 21 2.116 18.547 7.727 1.00 0.00 C ATOM 263 SD MET A 21 1.866 20.264 8.217 1.00 0.00 S ATOM 264 CE MET A 21 0.080 20.381 8.144 1.00 0.00 C ATOM 0 H MET A 21 3.264 16.976 5.137 1.00 0.00 H new ATOM 0 HA MET A 21 1.206 16.190 7.013 1.00 0.00 H new ATOM 0 HB2 MET A 21 2.056 18.714 5.594 1.00 0.00 H new ATOM 0 HB3 MET A 21 0.478 18.642 6.353 1.00 0.00 H new ATOM 0 HG2 MET A 21 1.695 17.891 8.489 1.00 0.00 H new ATOM 0 HG3 MET A 21 3.185 18.338 7.681 1.00 0.00 H new ATOM 0 HE1 MET A 21 -0.238 21.346 8.539 1.00 0.00 H new ATOM 0 HE2 MET A 21 -0.249 20.287 7.109 1.00 0.00 H new ATOM 0 HE3 MET A 21 -0.362 19.582 8.739 1.00 0.00 H new ATOM 274 N ARG A 22 0.631 16.243 3.840 1.00 0.00 N ATOM 275 CA ARG A 22 -0.358 15.967 2.804 1.00 0.00 C ATOM 276 C ARG A 22 -0.021 14.677 2.062 1.00 0.00 C ATOM 277 O ARG A 22 -0.590 14.388 1.009 1.00 0.00 O ATOM 278 CB ARG A 22 -0.431 17.132 1.816 1.00 0.00 C ATOM 279 CG ARG A 22 -0.884 18.438 2.447 1.00 0.00 C ATOM 280 CD ARG A 22 -0.331 19.640 1.697 1.00 0.00 C ATOM 281 NE ARG A 22 -1.036 20.872 2.042 1.00 0.00 N ATOM 282 CZ ARG A 22 -0.679 22.072 1.599 1.00 0.00 C ATOM 283 NH1 ARG A 22 0.368 22.201 0.796 1.00 0.00 N ATOM 284 NH2 ARG A 22 -1.371 23.146 1.957 1.00 0.00 N ATOM 0 H ARG A 22 1.595 16.265 3.508 1.00 0.00 H new ATOM 0 HA ARG A 22 -1.329 15.847 3.285 1.00 0.00 H new ATOM 0 HB2 ARG A 22 0.551 17.277 1.365 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -1.116 16.871 1.010 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -1.973 18.482 2.454 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -0.557 18.474 3.486 1.00 0.00 H new ATOM 0 HD2 ARG A 22 0.729 19.753 1.925 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -0.410 19.465 0.624 1.00 0.00 H new ATOM 0 HE ARG A 22 -1.847 20.807 2.657 1.00 0.00 H new ATOM 0 HH11 ARG A 22 0.901 21.377 0.517 1.00 0.00 H new ATOM 0 HH12 ARG A 22 0.640 23.124 0.457 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -2.178 23.051 2.573 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -1.096 24.067 1.616 1.00 0.00 H new ATOM 298 N SER A 23 0.907 13.905 2.618 1.00 0.00 N ATOM 299 CA SER A 23 1.322 12.648 2.007 1.00 0.00 C ATOM 300 C SER A 23 1.995 11.741 3.033 1.00 0.00 C ATOM 301 O SER A 23 2.133 12.103 4.201 1.00 0.00 O ATOM 302 CB SER A 23 2.277 12.914 0.841 1.00 0.00 C ATOM 303 OG SER A 23 1.930 14.107 0.160 1.00 0.00 O ATOM 0 H SER A 23 1.386 14.128 3.491 1.00 0.00 H new ATOM 0 HA SER A 23 0.432 12.144 1.631 1.00 0.00 H new ATOM 0 HB2 SER A 23 3.299 12.988 1.213 1.00 0.00 H new ATOM 0 HB3 SER A 23 2.251 12.074 0.147 1.00 0.00 H new ATOM 0 HG SER A 23 0.955 14.165 0.078 1.00 0.00 H new ATOM 309 N ILE A 24 2.411 10.560 2.587 1.00 0.00 N ATOM 310 CA ILE A 24 3.070 9.602 3.465 1.00 0.00 C ATOM 311 C ILE A 24 4.003 8.687 2.679 1.00 0.00 C ATOM 312 O ILE A 24 3.748 8.372 1.515 1.00 0.00 O ATOM 313 CB ILE A 24 2.046 8.740 4.227 1.00 0.00 C ATOM 314 CG1 ILE A 24 0.998 9.629 4.899 1.00 0.00 C ATOM 315 CG2 ILE A 24 2.749 7.869 5.257 1.00 0.00 C ATOM 316 CD1 ILE A 24 -0.108 8.852 5.578 1.00 0.00 C ATOM 0 H ILE A 24 2.303 10.244 1.623 1.00 0.00 H new ATOM 0 HA ILE A 24 3.652 10.180 4.183 1.00 0.00 H new ATOM 0 HB ILE A 24 1.540 8.089 3.515 1.00 0.00 H new ATOM 0 HG12 ILE A 24 1.490 10.264 5.636 1.00 0.00 H new ATOM 0 HG13 ILE A 24 0.560 10.290 4.151 1.00 0.00 H new ATOM 0 HG21 ILE A 24 2.012 7.266 5.787 1.00 0.00 H new ATOM 0 HG22 ILE A 24 3.461 7.214 4.755 1.00 0.00 H new ATOM 0 HG23 ILE A 24 3.279 8.502 5.968 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -0.814 9.547 6.033 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -0.626 8.238 4.842 1.00 0.00 H new ATOM 0 HD13 ILE A 24 0.318 8.211 6.350 1.00 0.00 H new ATOM 328 N THR A 25 5.085 8.260 3.322 1.00 0.00 N ATOM 329 CA THR A 25 6.056 7.380 2.684 1.00 0.00 C ATOM 330 C THR A 25 6.197 6.069 3.450 1.00 0.00 C ATOM 331 O THR A 25 6.353 6.066 4.672 1.00 0.00 O ATOM 332 CB THR A 25 7.439 8.051 2.579 1.00 0.00 C ATOM 333 OG1 THR A 25 7.309 9.349 1.987 1.00 0.00 O ATOM 334 CG2 THR A 25 8.391 7.203 1.750 1.00 0.00 C ATOM 0 H THR A 25 5.311 8.510 4.285 1.00 0.00 H new ATOM 0 HA THR A 25 5.683 7.173 1.681 1.00 0.00 H new ATOM 0 HB THR A 25 7.848 8.149 3.584 1.00 0.00 H new ATOM 0 HG1 THR A 25 8.192 9.770 1.925 1.00 0.00 H new ATOM 0 HG21 THR A 25 9.361 7.697 1.690 1.00 0.00 H new ATOM 0 HG22 THR A 25 8.510 6.226 2.219 1.00 0.00 H new ATOM 0 HG23 THR A 25 7.986 7.077 0.746 1.00 0.00 H new ATOM 342 N LEU A 26 6.143 4.957 2.725 1.00 0.00 N ATOM 343 CA LEU A 26 6.265 3.639 3.337 1.00 0.00 C ATOM 344 C LEU A 26 7.269 2.777 2.577 1.00 0.00 C ATOM 345 O LEU A 26 7.792 3.185 1.540 1.00 0.00 O ATOM 346 CB LEU A 26 4.903 2.943 3.373 1.00 0.00 C ATOM 347 CG LEU A 26 3.712 3.820 3.759 1.00 0.00 C ATOM 348 CD1 LEU A 26 2.403 3.117 3.433 1.00 0.00 C ATOM 349 CD2 LEU A 26 3.772 4.182 5.236 1.00 0.00 C ATOM 0 H LEU A 26 6.016 4.942 1.713 1.00 0.00 H new ATOM 0 HA LEU A 26 6.625 3.771 4.357 1.00 0.00 H new ATOM 0 HB2 LEU A 26 4.710 2.515 2.389 1.00 0.00 H new ATOM 0 HB3 LEU A 26 4.960 2.112 4.076 1.00 0.00 H new ATOM 0 HG LEU A 26 3.760 4.741 3.178 1.00 0.00 H new ATOM 0 HD11 LEU A 26 1.567 3.757 3.715 1.00 0.00 H new ATOM 0 HD12 LEU A 26 2.358 2.910 2.364 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.346 2.180 3.987 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.916 4.807 5.493 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.749 3.272 5.835 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.693 4.728 5.440 1.00 0.00 H new ATOM 361 N SER A 27 7.531 1.584 3.099 1.00 0.00 N ATOM 362 CA SER A 27 8.473 0.665 2.471 1.00 0.00 C ATOM 363 C SER A 27 8.294 -0.751 3.012 1.00 0.00 C ATOM 364 O SER A 27 8.127 -0.950 4.215 1.00 0.00 O ATOM 365 CB SER A 27 9.910 1.134 2.706 1.00 0.00 C ATOM 366 OG SER A 27 10.822 0.412 1.896 1.00 0.00 O ATOM 0 H SER A 27 7.104 1.231 3.955 1.00 0.00 H new ATOM 0 HA SER A 27 8.272 0.655 1.400 1.00 0.00 H new ATOM 0 HB2 SER A 27 9.989 2.199 2.487 1.00 0.00 H new ATOM 0 HB3 SER A 27 10.171 1.005 3.756 1.00 0.00 H new ATOM 0 HG SER A 27 11.733 0.732 2.064 1.00 0.00 H new ATOM 372 N TRP A 28 8.331 -1.729 2.115 1.00 0.00 N ATOM 373 CA TRP A 28 8.173 -3.126 2.501 1.00 0.00 C ATOM 374 C TRP A 28 9.261 -3.991 1.874 1.00 0.00 C ATOM 375 O TRP A 28 9.689 -3.768 0.741 1.00 0.00 O ATOM 376 CB TRP A 28 6.794 -3.639 2.084 1.00 0.00 C ATOM 377 CG TRP A 28 6.480 -3.392 0.639 1.00 0.00 C ATOM 378 CD1 TRP A 28 6.609 -4.280 -0.391 1.00 0.00 C ATOM 379 CD2 TRP A 28 5.987 -2.177 0.064 1.00 0.00 C ATOM 380 NE1 TRP A 28 6.226 -3.689 -1.571 1.00 0.00 N ATOM 381 CE2 TRP A 28 5.840 -2.400 -1.319 1.00 0.00 C ATOM 382 CE3 TRP A 28 5.654 -0.923 0.584 1.00 0.00 C ATOM 383 CZ2 TRP A 28 5.375 -1.414 -2.186 1.00 0.00 C ATOM 384 CZ3 TRP A 28 5.194 0.054 -0.278 1.00 0.00 C ATOM 385 CH2 TRP A 28 5.057 -0.196 -1.650 1.00 0.00 C ATOM 0 H TRP A 28 8.469 -1.581 1.115 1.00 0.00 H new ATOM 0 HA TRP A 28 8.264 -3.189 3.585 1.00 0.00 H new ATOM 0 HB2 TRP A 28 6.737 -4.709 2.283 1.00 0.00 H new ATOM 0 HB3 TRP A 28 6.034 -3.159 2.701 1.00 0.00 H new ATOM 0 HD1 TRP A 28 6.960 -5.297 -0.292 1.00 0.00 H new ATOM 0 HE1 TRP A 28 6.229 -4.138 -2.487 1.00 0.00 H new ATOM 0 HE3 TRP A 28 5.754 -0.721 1.640 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 5.269 -1.604 -3.244 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 4.936 1.027 0.112 1.00 0.00 H new ATOM 0 HH2 TRP A 28 4.693 0.588 -2.297 1.00 0.00 H new ATOM 396 N PRO A 29 9.722 -5.002 2.625 1.00 0.00 N ATOM 397 CA PRO A 29 10.766 -5.921 2.162 1.00 0.00 C ATOM 398 C PRO A 29 10.276 -6.841 1.049 1.00 0.00 C ATOM 399 O PRO A 29 9.114 -7.246 1.033 1.00 0.00 O ATOM 400 CB PRO A 29 11.106 -6.731 3.415 1.00 0.00 C ATOM 401 CG PRO A 29 9.875 -6.672 4.251 1.00 0.00 C ATOM 402 CD PRO A 29 9.258 -5.327 3.985 1.00 0.00 C ATOM 0 HA PRO A 29 11.618 -5.390 1.737 1.00 0.00 H new ATOM 0 HB2 PRO A 29 11.364 -7.760 3.163 1.00 0.00 H new ATOM 0 HB3 PRO A 29 11.962 -6.307 3.940 1.00 0.00 H new ATOM 0 HG2 PRO A 29 9.187 -7.476 3.989 1.00 0.00 H new ATOM 0 HG3 PRO A 29 10.115 -6.789 5.308 1.00 0.00 H new ATOM 0 HD2 PRO A 29 8.170 -5.366 4.040 1.00 0.00 H new ATOM 0 HD3 PRO A 29 9.587 -4.583 4.711 1.00 0.00 H new ATOM 410 N GLN A 30 11.170 -7.168 0.122 1.00 0.00 N ATOM 411 CA GLN A 30 10.828 -8.041 -0.995 1.00 0.00 C ATOM 412 C GLN A 30 10.719 -9.492 -0.538 1.00 0.00 C ATOM 413 O GLN A 30 11.564 -10.002 0.198 1.00 0.00 O ATOM 414 CB GLN A 30 11.874 -7.920 -2.104 1.00 0.00 C ATOM 415 CG GLN A 30 11.536 -8.724 -3.349 1.00 0.00 C ATOM 416 CD GLN A 30 12.711 -8.850 -4.299 1.00 0.00 C ATOM 417 OE1 GLN A 30 13.746 -9.421 -3.952 1.00 0.00 O ATOM 418 NE2 GLN A 30 12.558 -8.317 -5.505 1.00 0.00 N ATOM 0 H GLN A 30 12.136 -6.842 0.122 1.00 0.00 H new ATOM 0 HA GLN A 30 9.859 -7.728 -1.384 1.00 0.00 H new ATOM 0 HB2 GLN A 30 11.982 -6.870 -2.378 1.00 0.00 H new ATOM 0 HB3 GLN A 30 12.839 -8.250 -1.719 1.00 0.00 H new ATOM 0 HG2 GLN A 30 11.203 -9.719 -3.055 1.00 0.00 H new ATOM 0 HG3 GLN A 30 10.703 -8.250 -3.868 1.00 0.00 H new ATOM 0 HE21 GLN A 30 11.683 -7.853 -5.750 1.00 0.00 H new ATOM 0 HE22 GLN A 30 13.315 -8.371 -6.186 1.00 0.00 H new ATOM 427 N PRO A 31 9.654 -10.175 -0.983 1.00 0.00 N ATOM 428 CA PRO A 31 9.409 -11.577 -0.632 1.00 0.00 C ATOM 429 C PRO A 31 10.411 -12.522 -1.287 1.00 0.00 C ATOM 430 O PRO A 31 11.241 -12.099 -2.092 1.00 0.00 O ATOM 431 CB PRO A 31 8.000 -11.837 -1.169 1.00 0.00 C ATOM 432 CG PRO A 31 7.827 -10.850 -2.272 1.00 0.00 C ATOM 433 CD PRO A 31 8.606 -9.631 -1.863 1.00 0.00 C ATOM 0 HA PRO A 31 9.511 -11.752 0.439 1.00 0.00 H new ATOM 0 HB2 PRO A 31 7.897 -12.859 -1.533 1.00 0.00 H new ATOM 0 HB3 PRO A 31 7.248 -11.698 -0.392 1.00 0.00 H new ATOM 0 HG2 PRO A 31 8.197 -11.251 -3.216 1.00 0.00 H new ATOM 0 HG3 PRO A 31 6.774 -10.609 -2.419 1.00 0.00 H new ATOM 0 HD2 PRO A 31 9.032 -9.118 -2.725 1.00 0.00 H new ATOM 0 HD3 PRO A 31 7.978 -8.909 -1.341 1.00 0.00 H new ATOM 441 N GLU A 32 10.327 -13.801 -0.938 1.00 0.00 N ATOM 442 CA GLU A 32 11.228 -14.805 -1.493 1.00 0.00 C ATOM 443 C GLU A 32 10.443 -15.951 -2.124 1.00 0.00 C ATOM 444 O GLU A 32 11.004 -16.781 -2.838 1.00 0.00 O ATOM 445 CB GLU A 32 12.156 -15.347 -0.404 1.00 0.00 C ATOM 446 CG GLU A 32 11.419 -15.942 0.784 1.00 0.00 C ATOM 447 CD GLU A 32 12.351 -16.615 1.773 1.00 0.00 C ATOM 448 OE1 GLU A 32 13.303 -17.288 1.325 1.00 0.00 O ATOM 449 OE2 GLU A 32 12.130 -16.467 2.993 1.00 0.00 O ATOM 0 H GLU A 32 9.645 -14.167 -0.274 1.00 0.00 H new ATOM 0 HA GLU A 32 11.828 -14.329 -2.268 1.00 0.00 H new ATOM 0 HB2 GLU A 32 12.804 -16.109 -0.837 1.00 0.00 H new ATOM 0 HB3 GLU A 32 12.801 -14.541 -0.054 1.00 0.00 H new ATOM 0 HG2 GLU A 32 10.863 -15.155 1.293 1.00 0.00 H new ATOM 0 HG3 GLU A 32 10.689 -16.668 0.427 1.00 0.00 H new ATOM 456 N GLN A 33 9.142 -15.988 -1.854 1.00 0.00 N ATOM 457 CA GLN A 33 8.280 -17.033 -2.395 1.00 0.00 C ATOM 458 C GLN A 33 7.199 -16.437 -3.291 1.00 0.00 C ATOM 459 O GLN A 33 6.017 -16.761 -3.178 1.00 0.00 O ATOM 460 CB GLN A 33 7.636 -17.830 -1.260 1.00 0.00 C ATOM 461 CG GLN A 33 8.479 -19.002 -0.784 1.00 0.00 C ATOM 462 CD GLN A 33 7.659 -20.063 -0.076 1.00 0.00 C ATOM 463 OE1 GLN A 33 6.976 -20.864 -0.715 1.00 0.00 O ATOM 464 NE2 GLN A 33 7.722 -20.073 1.250 1.00 0.00 N ATOM 0 H GLN A 33 8.662 -15.308 -1.265 1.00 0.00 H new ATOM 0 HA GLN A 33 8.896 -17.702 -2.996 1.00 0.00 H new ATOM 0 HB2 GLN A 33 7.449 -17.162 -0.419 1.00 0.00 H new ATOM 0 HB3 GLN A 33 6.667 -18.202 -1.593 1.00 0.00 H new ATOM 0 HG2 GLN A 33 8.986 -19.450 -1.638 1.00 0.00 H new ATOM 0 HG3 GLN A 33 9.254 -18.637 -0.109 1.00 0.00 H new ATOM 0 HE21 GLN A 33 8.301 -19.390 1.738 1.00 0.00 H new ATOM 0 HE22 GLN A 33 7.191 -20.764 1.781 1.00 0.00 H new ATOM 473 N PRO A 34 7.612 -15.545 -4.203 1.00 0.00 N ATOM 474 CA PRO A 34 6.694 -14.885 -5.137 1.00 0.00 C ATOM 475 C PRO A 34 6.141 -15.847 -6.184 1.00 0.00 C ATOM 476 O PRO A 34 5.248 -15.495 -6.952 1.00 0.00 O ATOM 477 CB PRO A 34 7.568 -13.818 -5.800 1.00 0.00 C ATOM 478 CG PRO A 34 8.958 -14.343 -5.686 1.00 0.00 C ATOM 479 CD PRO A 34 9.006 -15.112 -4.395 1.00 0.00 C ATOM 0 HA PRO A 34 5.817 -14.482 -4.630 1.00 0.00 H new ATOM 0 HB2 PRO A 34 7.286 -13.667 -6.842 1.00 0.00 H new ATOM 0 HB3 PRO A 34 7.466 -12.855 -5.299 1.00 0.00 H new ATOM 0 HG2 PRO A 34 9.203 -14.985 -6.532 1.00 0.00 H new ATOM 0 HG3 PRO A 34 9.683 -13.529 -5.683 1.00 0.00 H new ATOM 0 HD2 PRO A 34 9.685 -15.962 -4.459 1.00 0.00 H new ATOM 0 HD3 PRO A 34 9.351 -14.490 -3.569 1.00 0.00 H new ATOM 487 N ASN A 35 6.679 -17.062 -6.206 1.00 0.00 N ATOM 488 CA ASN A 35 6.239 -18.075 -7.159 1.00 0.00 C ATOM 489 C ASN A 35 6.373 -17.568 -8.592 1.00 0.00 C ATOM 490 O ASN A 35 5.523 -17.838 -9.440 1.00 0.00 O ATOM 491 CB ASN A 35 4.788 -18.471 -6.881 1.00 0.00 C ATOM 492 CG ASN A 35 4.639 -19.245 -5.585 1.00 0.00 C ATOM 493 OD1 ASN A 35 4.086 -20.345 -5.567 1.00 0.00 O ATOM 494 ND2 ASN A 35 5.133 -18.673 -4.494 1.00 0.00 N ATOM 0 H ASN A 35 7.420 -17.369 -5.575 1.00 0.00 H new ATOM 0 HA ASN A 35 6.877 -18.951 -7.040 1.00 0.00 H new ATOM 0 HB2 ASN A 35 4.171 -17.574 -6.838 1.00 0.00 H new ATOM 0 HB3 ASN A 35 4.414 -19.076 -7.707 1.00 0.00 H new ATOM 0 HD21 ASN A 35 5.062 -19.147 -3.593 1.00 0.00 H new ATOM 0 HD22 ASN A 35 5.583 -17.760 -4.556 1.00 0.00 H new ATOM 501 N GLY A 36 7.448 -16.831 -8.856 1.00 0.00 N ATOM 502 CA GLY A 36 7.675 -16.298 -10.186 1.00 0.00 C ATOM 503 C GLY A 36 8.274 -14.906 -10.160 1.00 0.00 C ATOM 504 O GLY A 36 9.050 -14.575 -9.263 1.00 0.00 O ATOM 0 H GLY A 36 8.166 -16.594 -8.171 1.00 0.00 H new ATOM 0 HA2 GLY A 36 8.341 -16.966 -10.733 1.00 0.00 H new ATOM 0 HA3 GLY A 36 6.731 -16.273 -10.730 1.00 0.00 H new ATOM 508 N ILE A 37 7.915 -14.090 -11.145 1.00 0.00 N ATOM 509 CA ILE A 37 8.424 -12.727 -11.231 1.00 0.00 C ATOM 510 C ILE A 37 7.377 -11.720 -10.766 1.00 0.00 C ATOM 511 O ILE A 37 6.215 -11.787 -11.169 1.00 0.00 O ATOM 512 CB ILE A 37 8.856 -12.376 -12.667 1.00 0.00 C ATOM 513 CG1 ILE A 37 9.911 -13.367 -13.161 1.00 0.00 C ATOM 514 CG2 ILE A 37 9.389 -10.953 -12.727 1.00 0.00 C ATOM 515 CD1 ILE A 37 9.324 -14.620 -13.774 1.00 0.00 C ATOM 0 H ILE A 37 7.274 -14.349 -11.895 1.00 0.00 H new ATOM 0 HA ILE A 37 9.294 -12.673 -10.576 1.00 0.00 H new ATOM 0 HB ILE A 37 7.986 -12.445 -13.320 1.00 0.00 H new ATOM 0 HG12 ILE A 37 10.544 -12.874 -13.899 1.00 0.00 H new ATOM 0 HG13 ILE A 37 10.553 -13.647 -12.326 1.00 0.00 H new ATOM 0 HG21 ILE A 37 9.690 -10.720 -13.748 1.00 0.00 H new ATOM 0 HG22 ILE A 37 8.610 -10.259 -12.411 1.00 0.00 H new ATOM 0 HG23 ILE A 37 10.249 -10.859 -12.065 1.00 0.00 H new ATOM 0 HD11 ILE A 37 10.130 -15.277 -14.102 1.00 0.00 H new ATOM 0 HD12 ILE A 37 8.714 -15.136 -13.033 1.00 0.00 H new ATOM 0 HD13 ILE A 37 8.705 -14.351 -14.629 1.00 0.00 H new ATOM 527 N ILE A 38 7.797 -10.787 -9.919 1.00 0.00 N ATOM 528 CA ILE A 38 6.896 -9.764 -9.402 1.00 0.00 C ATOM 529 C ILE A 38 6.869 -8.543 -10.316 1.00 0.00 C ATOM 530 O ILE A 38 7.782 -7.716 -10.293 1.00 0.00 O ATOM 531 CB ILE A 38 7.301 -9.321 -7.984 1.00 0.00 C ATOM 532 CG1 ILE A 38 7.194 -10.495 -7.009 1.00 0.00 C ATOM 533 CG2 ILE A 38 6.431 -8.161 -7.522 1.00 0.00 C ATOM 534 CD1 ILE A 38 7.919 -10.264 -5.702 1.00 0.00 C ATOM 0 H ILE A 38 8.755 -10.718 -9.576 1.00 0.00 H new ATOM 0 HA ILE A 38 5.902 -10.209 -9.364 1.00 0.00 H new ATOM 0 HB ILE A 38 8.338 -8.985 -8.007 1.00 0.00 H new ATOM 0 HG12 ILE A 38 6.142 -10.690 -6.802 1.00 0.00 H new ATOM 0 HG13 ILE A 38 7.596 -11.390 -7.485 1.00 0.00 H new ATOM 0 HG21 ILE A 38 6.730 -7.860 -6.518 1.00 0.00 H new ATOM 0 HG22 ILE A 38 6.553 -7.320 -8.205 1.00 0.00 H new ATOM 0 HG23 ILE A 38 5.386 -8.471 -7.512 1.00 0.00 H new ATOM 0 HD11 ILE A 38 7.800 -11.137 -5.061 1.00 0.00 H new ATOM 0 HD12 ILE A 38 8.979 -10.099 -5.898 1.00 0.00 H new ATOM 0 HD13 ILE A 38 7.502 -9.389 -5.204 1.00 0.00 H new ATOM 546 N LEU A 39 5.816 -8.434 -11.118 1.00 0.00 N ATOM 547 CA LEU A 39 5.668 -7.313 -12.039 1.00 0.00 C ATOM 548 C LEU A 39 5.696 -5.985 -11.289 1.00 0.00 C ATOM 549 O LEU A 39 6.561 -5.143 -11.528 1.00 0.00 O ATOM 550 CB LEU A 39 4.362 -7.441 -12.825 1.00 0.00 C ATOM 551 CG LEU A 39 4.145 -8.767 -13.553 1.00 0.00 C ATOM 552 CD1 LEU A 39 2.660 -9.073 -13.675 1.00 0.00 C ATOM 553 CD2 LEU A 39 4.799 -8.735 -14.927 1.00 0.00 C ATOM 0 H LEU A 39 5.052 -9.109 -11.149 1.00 0.00 H new ATOM 0 HA LEU A 39 6.506 -7.334 -12.735 1.00 0.00 H new ATOM 0 HB2 LEU A 39 3.531 -7.287 -12.137 1.00 0.00 H new ATOM 0 HB3 LEU A 39 4.322 -6.636 -13.559 1.00 0.00 H new ATOM 0 HG LEU A 39 4.612 -9.560 -12.969 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.525 -10.021 -14.196 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.219 -9.140 -12.680 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.170 -8.278 -14.236 1.00 0.00 H new ATOM 0 HD21 LEU A 39 4.634 -9.687 -15.431 1.00 0.00 H new ATOM 0 HD22 LEU A 39 4.362 -7.931 -15.519 1.00 0.00 H new ATOM 0 HD23 LEU A 39 5.870 -8.564 -14.816 1.00 0.00 H new ATOM 565 N ASP A 40 4.744 -5.806 -10.379 1.00 0.00 N ATOM 566 CA ASP A 40 4.660 -4.582 -9.591 1.00 0.00 C ATOM 567 C ASP A 40 3.898 -4.823 -8.292 1.00 0.00 C ATOM 568 O ASP A 40 3.412 -5.926 -8.041 1.00 0.00 O ATOM 569 CB ASP A 40 3.980 -3.475 -10.398 1.00 0.00 C ATOM 570 CG ASP A 40 2.598 -3.874 -10.876 1.00 0.00 C ATOM 571 OD1 ASP A 40 1.992 -4.772 -10.256 1.00 0.00 O ATOM 572 OD2 ASP A 40 2.122 -3.288 -11.872 1.00 0.00 O ATOM 0 H ASP A 40 4.020 -6.493 -10.169 1.00 0.00 H new ATOM 0 HA ASP A 40 5.674 -4.269 -9.343 1.00 0.00 H new ATOM 0 HB2 ASP A 40 3.904 -2.577 -9.785 1.00 0.00 H new ATOM 0 HB3 ASP A 40 4.600 -3.223 -11.258 1.00 0.00 H new ATOM 577 N TYR A 41 3.798 -3.785 -7.469 1.00 0.00 N ATOM 578 CA TYR A 41 3.098 -3.885 -6.194 1.00 0.00 C ATOM 579 C TYR A 41 1.993 -2.837 -6.096 1.00 0.00 C ATOM 580 O TYR A 41 2.253 -1.637 -6.177 1.00 0.00 O ATOM 581 CB TYR A 41 4.081 -3.717 -5.034 1.00 0.00 C ATOM 582 CG TYR A 41 5.309 -4.591 -5.150 1.00 0.00 C ATOM 583 CD1 TYR A 41 6.366 -4.231 -5.977 1.00 0.00 C ATOM 584 CD2 TYR A 41 5.412 -5.776 -4.433 1.00 0.00 C ATOM 585 CE1 TYR A 41 7.490 -5.027 -6.087 1.00 0.00 C ATOM 586 CE2 TYR A 41 6.533 -6.577 -4.535 1.00 0.00 C ATOM 587 CZ TYR A 41 7.569 -6.198 -5.363 1.00 0.00 C ATOM 588 OH TYR A 41 8.687 -6.994 -5.469 1.00 0.00 O ATOM 0 H TYR A 41 4.193 -2.865 -7.662 1.00 0.00 H new ATOM 0 HA TYR A 41 2.643 -4.873 -6.135 1.00 0.00 H new ATOM 0 HB2 TYR A 41 4.392 -2.674 -4.980 1.00 0.00 H new ATOM 0 HB3 TYR A 41 3.569 -3.946 -4.099 1.00 0.00 H new ATOM 0 HD1 TYR A 41 6.308 -3.313 -6.543 1.00 0.00 H new ATOM 0 HD2 TYR A 41 4.602 -6.076 -3.785 1.00 0.00 H new ATOM 0 HE1 TYR A 41 8.302 -4.734 -6.736 1.00 0.00 H new ATOM 0 HE2 TYR A 41 6.598 -7.495 -3.970 1.00 0.00 H new ATOM 0 HH TYR A 41 9.423 -6.593 -4.962 1.00 0.00 H new ATOM 598 N GLU A 42 0.760 -3.301 -5.919 1.00 0.00 N ATOM 599 CA GLU A 42 -0.384 -2.404 -5.810 1.00 0.00 C ATOM 600 C GLU A 42 -0.673 -2.066 -4.350 1.00 0.00 C ATOM 601 O GLU A 42 -0.734 -2.952 -3.497 1.00 0.00 O ATOM 602 CB GLU A 42 -1.620 -3.038 -6.451 1.00 0.00 C ATOM 603 CG GLU A 42 -1.769 -2.721 -7.930 1.00 0.00 C ATOM 604 CD GLU A 42 -2.566 -3.774 -8.675 1.00 0.00 C ATOM 605 OE1 GLU A 42 -3.772 -3.921 -8.383 1.00 0.00 O ATOM 606 OE2 GLU A 42 -1.986 -4.451 -9.549 1.00 0.00 O ATOM 0 H GLU A 42 0.528 -4.292 -5.848 1.00 0.00 H new ATOM 0 HA GLU A 42 -0.142 -1.482 -6.338 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -1.571 -4.119 -6.323 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -2.509 -2.694 -5.923 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -2.258 -1.753 -8.043 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -0.780 -2.633 -8.380 1.00 0.00 H new ATOM 613 N ILE A 43 -0.847 -0.779 -4.070 1.00 0.00 N ATOM 614 CA ILE A 43 -1.129 -0.323 -2.715 1.00 0.00 C ATOM 615 C ILE A 43 -2.485 0.371 -2.639 1.00 0.00 C ATOM 616 O ILE A 43 -2.780 1.268 -3.429 1.00 0.00 O ATOM 617 CB ILE A 43 -0.042 0.642 -2.208 1.00 0.00 C ATOM 618 CG1 ILE A 43 1.290 -0.094 -2.047 1.00 0.00 C ATOM 619 CG2 ILE A 43 -0.466 1.273 -0.890 1.00 0.00 C ATOM 620 CD1 ILE A 43 2.059 -0.242 -3.342 1.00 0.00 C ATOM 0 H ILE A 43 -0.798 -0.033 -4.764 1.00 0.00 H new ATOM 0 HA ILE A 43 -1.141 -1.209 -2.080 1.00 0.00 H new ATOM 0 HB ILE A 43 0.089 1.436 -2.943 1.00 0.00 H new ATOM 0 HG12 ILE A 43 1.907 0.442 -1.326 1.00 0.00 H new ATOM 0 HG13 ILE A 43 1.101 -1.084 -1.631 1.00 0.00 H new ATOM 0 HG21 ILE A 43 0.313 1.953 -0.545 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -1.393 1.827 -1.034 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.622 0.492 -0.146 1.00 0.00 H new ATOM 0 HD11 ILE A 43 2.992 -0.773 -3.153 1.00 0.00 H new ATOM 0 HD12 ILE A 43 1.460 -0.805 -4.058 1.00 0.00 H new ATOM 0 HD13 ILE A 43 2.279 0.745 -3.749 1.00 0.00 H new ATOM 632 N ARG A 44 -3.306 -0.048 -1.682 1.00 0.00 N ATOM 633 CA ARG A 44 -4.630 0.534 -1.502 1.00 0.00 C ATOM 634 C ARG A 44 -4.723 1.273 -0.170 1.00 0.00 C ATOM 635 O ARG A 44 -4.421 0.714 0.884 1.00 0.00 O ATOM 636 CB ARG A 44 -5.702 -0.556 -1.567 1.00 0.00 C ATOM 637 CG ARG A 44 -7.104 -0.049 -1.272 1.00 0.00 C ATOM 638 CD ARG A 44 -8.128 -1.172 -1.337 1.00 0.00 C ATOM 639 NE ARG A 44 -8.661 -1.349 -2.685 1.00 0.00 N ATOM 640 CZ ARG A 44 -9.620 -2.216 -2.988 1.00 0.00 C ATOM 641 NH1 ARG A 44 -10.150 -2.980 -2.043 1.00 0.00 N ATOM 642 NH2 ARG A 44 -10.052 -2.319 -4.238 1.00 0.00 N ATOM 0 H ARG A 44 -3.077 -0.789 -1.019 1.00 0.00 H new ATOM 0 HA ARG A 44 -4.797 1.249 -2.307 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -5.689 -1.008 -2.559 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -5.452 -1.343 -0.855 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -7.126 0.408 -0.283 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -7.369 0.729 -1.988 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -7.668 -2.102 -1.004 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -8.946 -0.957 -0.649 1.00 0.00 H new ATOM 0 HE ARG A 44 -8.275 -0.775 -3.435 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -9.821 -2.903 -1.081 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -10.887 -3.645 -2.278 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -9.647 -1.732 -4.967 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -10.789 -2.985 -4.470 1.00 0.00 H new ATOM 656 N TYR A 45 -5.141 2.533 -0.227 1.00 0.00 N ATOM 657 CA TYR A 45 -5.270 3.351 0.973 1.00 0.00 C ATOM 658 C TYR A 45 -6.658 3.979 1.057 1.00 0.00 C ATOM 659 O TYR A 45 -7.130 4.600 0.105 1.00 0.00 O ATOM 660 CB TYR A 45 -4.201 4.445 0.988 1.00 0.00 C ATOM 661 CG TYR A 45 -4.177 5.285 -0.269 1.00 0.00 C ATOM 662 CD1 TYR A 45 -3.545 4.831 -1.420 1.00 0.00 C ATOM 663 CD2 TYR A 45 -4.786 6.534 -0.305 1.00 0.00 C ATOM 664 CE1 TYR A 45 -3.520 5.596 -2.570 1.00 0.00 C ATOM 665 CE2 TYR A 45 -4.767 7.304 -1.451 1.00 0.00 C ATOM 666 CZ TYR A 45 -4.133 6.831 -2.581 1.00 0.00 C ATOM 667 OH TYR A 45 -4.111 7.597 -3.724 1.00 0.00 O ATOM 0 H TYR A 45 -5.396 3.010 -1.092 1.00 0.00 H new ATOM 0 HA TYR A 45 -5.130 2.705 1.839 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -4.370 5.095 1.846 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -3.223 3.984 1.126 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -3.065 3.864 -1.416 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -5.282 6.908 0.578 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -3.023 5.229 -3.456 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -5.246 8.272 -1.463 1.00 0.00 H new ATOM 0 HH TYR A 45 -4.589 8.437 -3.564 1.00 0.00 H new ATOM 677 N TYR A 46 -7.306 3.813 2.205 1.00 0.00 N ATOM 678 CA TYR A 46 -8.640 4.362 2.415 1.00 0.00 C ATOM 679 C TYR A 46 -8.751 5.015 3.790 1.00 0.00 C ATOM 680 O TYR A 46 -8.065 4.621 4.732 1.00 0.00 O ATOM 681 CB TYR A 46 -9.694 3.262 2.275 1.00 0.00 C ATOM 682 CG TYR A 46 -9.547 2.149 3.288 1.00 0.00 C ATOM 683 CD1 TYR A 46 -9.962 2.321 4.603 1.00 0.00 C ATOM 684 CD2 TYR A 46 -8.995 0.926 2.929 1.00 0.00 C ATOM 685 CE1 TYR A 46 -9.828 1.307 5.532 1.00 0.00 C ATOM 686 CE2 TYR A 46 -8.859 -0.094 3.851 1.00 0.00 C ATOM 687 CZ TYR A 46 -9.277 0.101 5.151 1.00 0.00 C ATOM 688 OH TYR A 46 -9.144 -0.911 6.073 1.00 0.00 O ATOM 0 H TYR A 46 -6.929 3.303 3.004 1.00 0.00 H new ATOM 0 HA TYR A 46 -8.815 5.124 1.656 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -10.685 3.705 2.376 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -9.635 2.839 1.272 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -10.396 3.263 4.904 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -8.667 0.770 1.912 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -10.153 1.458 6.551 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -8.428 -1.039 3.555 1.00 0.00 H new ATOM 0 HH TYR A 46 -8.739 -1.694 5.644 1.00 0.00 H new ATOM 698 N GLU A 47 -9.620 6.015 3.894 1.00 0.00 N ATOM 699 CA GLU A 47 -9.820 6.724 5.153 1.00 0.00 C ATOM 700 C GLU A 47 -10.321 5.775 6.237 1.00 0.00 C ATOM 701 O GLU A 47 -11.228 4.974 6.008 1.00 0.00 O ATOM 702 CB GLU A 47 -10.814 7.872 4.965 1.00 0.00 C ATOM 703 CG GLU A 47 -10.218 9.086 4.273 1.00 0.00 C ATOM 704 CD GLU A 47 -11.088 10.320 4.409 1.00 0.00 C ATOM 705 OE1 GLU A 47 -11.527 10.616 5.540 1.00 0.00 O ATOM 706 OE2 GLU A 47 -11.330 10.991 3.384 1.00 0.00 O ATOM 0 H GLU A 47 -10.196 6.352 3.123 1.00 0.00 H new ATOM 0 HA GLU A 47 -8.860 7.133 5.467 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -11.664 7.514 4.384 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -11.198 8.172 5.940 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -9.233 9.292 4.693 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -10.073 8.863 3.216 1.00 0.00 H new ATOM 713 N LYS A 48 -9.723 5.869 7.420 1.00 0.00 N ATOM 714 CA LYS A 48 -10.108 5.021 8.542 1.00 0.00 C ATOM 715 C LYS A 48 -11.624 4.876 8.620 1.00 0.00 C ATOM 716 O LYS A 48 -12.136 3.824 9.002 1.00 0.00 O ATOM 717 CB LYS A 48 -9.572 5.601 9.853 1.00 0.00 C ATOM 718 CG LYS A 48 -9.535 4.596 10.992 1.00 0.00 C ATOM 719 CD LYS A 48 -8.713 5.110 12.162 1.00 0.00 C ATOM 720 CE LYS A 48 -9.038 4.359 13.444 1.00 0.00 C ATOM 721 NZ LYS A 48 -8.452 2.989 13.447 1.00 0.00 N ATOM 0 H LYS A 48 -8.969 6.524 7.627 1.00 0.00 H new ATOM 0 HA LYS A 48 -9.674 4.033 8.384 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -8.566 5.986 9.686 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -10.192 6.448 10.147 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -10.551 4.384 11.325 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -9.114 3.656 10.636 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -7.652 5.005 11.937 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -8.905 6.174 12.303 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -8.658 4.918 14.299 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -10.120 4.292 13.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -8.695 2.509 14.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -8.833 2.447 12.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -7.418 3.054 13.360 1.00 0.00 H new ATOM 735 N GLU A 49 -12.335 5.938 8.255 1.00 0.00 N ATOM 736 CA GLU A 49 -13.793 5.927 8.284 1.00 0.00 C ATOM 737 C GLU A 49 -14.357 5.263 7.031 1.00 0.00 C ATOM 738 O GLU A 49 -15.406 4.620 7.074 1.00 0.00 O ATOM 739 CB GLU A 49 -14.334 7.353 8.406 1.00 0.00 C ATOM 740 CG GLU A 49 -13.944 8.043 9.702 1.00 0.00 C ATOM 741 CD GLU A 49 -14.809 9.251 10.003 1.00 0.00 C ATOM 742 OE1 GLU A 49 -16.045 9.148 9.857 1.00 0.00 O ATOM 743 OE2 GLU A 49 -14.250 10.301 10.384 1.00 0.00 O ATOM 0 H GLU A 49 -11.926 6.816 7.936 1.00 0.00 H new ATOM 0 HA GLU A 49 -14.109 5.351 9.154 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -13.970 7.944 7.566 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -15.421 7.328 8.330 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -14.020 7.332 10.525 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -12.901 8.353 9.644 1.00 0.00 H new ATOM 750 N HIS A 50 -13.653 5.423 5.915 1.00 0.00 N ATOM 751 CA HIS A 50 -14.082 4.840 4.649 1.00 0.00 C ATOM 752 C HIS A 50 -13.716 3.360 4.581 1.00 0.00 C ATOM 753 O HIS A 50 -13.050 2.834 5.471 1.00 0.00 O ATOM 754 CB HIS A 50 -13.448 5.589 3.477 1.00 0.00 C ATOM 755 CG HIS A 50 -13.890 7.016 3.368 1.00 0.00 C ATOM 756 ND1 HIS A 50 -13.787 7.749 2.204 1.00 0.00 N ATOM 757 CD2 HIS A 50 -14.442 7.844 4.285 1.00 0.00 C ATOM 758 CE1 HIS A 50 -14.254 8.967 2.411 1.00 0.00 C ATOM 759 NE2 HIS A 50 -14.659 9.050 3.666 1.00 0.00 N ATOM 0 H HIS A 50 -12.782 5.952 5.862 1.00 0.00 H new ATOM 0 HA HIS A 50 -15.166 4.931 4.584 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -12.363 5.560 3.582 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -13.692 5.070 2.550 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -14.669 7.601 5.312 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -14.297 9.760 1.679 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -15.067 9.876 4.104 1.00 0.00 H new ATOM 768 N ASN A 51 -14.156 2.695 3.518 1.00 0.00 N ATOM 769 CA ASN A 51 -13.875 1.276 3.334 1.00 0.00 C ATOM 770 C ASN A 51 -13.161 1.029 2.009 1.00 0.00 C ATOM 771 O ASN A 51 -12.814 1.970 1.296 1.00 0.00 O ATOM 772 CB ASN A 51 -15.173 0.467 3.385 1.00 0.00 C ATOM 773 CG ASN A 51 -15.781 0.435 4.773 1.00 0.00 C ATOM 774 OD1 ASN A 51 -15.371 -0.355 5.624 1.00 0.00 O ATOM 775 ND2 ASN A 51 -16.764 1.296 5.009 1.00 0.00 N ATOM 0 H ASN A 51 -14.708 3.116 2.771 1.00 0.00 H new ATOM 0 HA ASN A 51 -13.221 0.953 4.144 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -15.892 0.895 2.686 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -14.975 -0.553 3.054 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -17.211 1.321 5.925 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -17.072 1.933 4.274 1.00 0.00 H new ATOM 782 N GLU A 52 -12.944 -0.242 1.687 1.00 0.00 N ATOM 783 CA GLU A 52 -12.271 -0.612 0.448 1.00 0.00 C ATOM 784 C GLU A 52 -12.988 -0.015 -0.760 1.00 0.00 C ATOM 785 O GLU A 52 -12.354 0.393 -1.733 1.00 0.00 O ATOM 786 CB GLU A 52 -12.201 -2.134 0.313 1.00 0.00 C ATOM 787 CG GLU A 52 -11.181 -2.781 1.234 1.00 0.00 C ATOM 788 CD GLU A 52 -11.025 -4.268 0.980 1.00 0.00 C ATOM 789 OE1 GLU A 52 -10.929 -4.660 -0.202 1.00 0.00 O ATOM 790 OE2 GLU A 52 -10.998 -5.038 1.962 1.00 0.00 O ATOM 0 H GLU A 52 -13.225 -1.033 2.267 1.00 0.00 H new ATOM 0 HA GLU A 52 -11.258 -0.211 0.482 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -13.185 -2.554 0.522 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -11.959 -2.388 -0.719 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -10.216 -2.291 1.103 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -11.481 -2.623 2.270 1.00 0.00 H new ATOM 797 N PHE A 53 -14.314 0.030 -0.690 1.00 0.00 N ATOM 798 CA PHE A 53 -15.119 0.575 -1.777 1.00 0.00 C ATOM 799 C PHE A 53 -14.592 1.938 -2.214 1.00 0.00 C ATOM 800 O PHE A 53 -14.125 2.103 -3.341 1.00 0.00 O ATOM 801 CB PHE A 53 -16.582 0.695 -1.346 1.00 0.00 C ATOM 802 CG PHE A 53 -17.231 -0.626 -1.049 1.00 0.00 C ATOM 803 CD1 PHE A 53 -17.266 -1.627 -2.007 1.00 0.00 C ATOM 804 CD2 PHE A 53 -17.806 -0.869 0.188 1.00 0.00 C ATOM 805 CE1 PHE A 53 -17.862 -2.844 -1.737 1.00 0.00 C ATOM 806 CE2 PHE A 53 -18.402 -2.084 0.464 1.00 0.00 C ATOM 807 CZ PHE A 53 -18.432 -3.073 -0.500 1.00 0.00 C ATOM 0 H PHE A 53 -14.854 -0.304 0.108 1.00 0.00 H new ATOM 0 HA PHE A 53 -15.052 -0.109 -2.623 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -16.640 1.327 -0.460 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -17.144 1.198 -2.133 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -16.822 -1.454 -2.976 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -17.788 -0.099 0.945 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -17.882 -3.615 -2.493 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -18.844 -2.261 1.433 1.00 0.00 H new ATOM 0 HZ PHE A 53 -18.900 -4.023 -0.287 1.00 0.00 H new ATOM 817 N ASN A 54 -14.671 2.913 -1.314 1.00 0.00 N ATOM 818 CA ASN A 54 -14.203 4.263 -1.606 1.00 0.00 C ATOM 819 C ASN A 54 -12.726 4.414 -1.256 1.00 0.00 C ATOM 820 O ASN A 54 -12.368 5.146 -0.333 1.00 0.00 O ATOM 821 CB ASN A 54 -15.030 5.291 -0.832 1.00 0.00 C ATOM 822 CG ASN A 54 -16.243 5.762 -1.611 1.00 0.00 C ATOM 823 OD1 ASN A 54 -16.249 5.747 -2.842 1.00 0.00 O ATOM 824 ND2 ASN A 54 -17.278 6.185 -0.894 1.00 0.00 N ATOM 0 H ASN A 54 -15.055 2.793 -0.377 1.00 0.00 H new ATOM 0 HA ASN A 54 -14.325 4.440 -2.675 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -15.355 4.855 0.113 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -14.403 6.148 -0.588 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -18.122 6.515 -1.362 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -17.229 6.180 0.125 1.00 0.00 H new ATOM 831 N SER A 55 -11.873 3.718 -2.000 1.00 0.00 N ATOM 832 CA SER A 55 -10.434 3.772 -1.767 1.00 0.00 C ATOM 833 C SER A 55 -9.685 4.083 -3.059 1.00 0.00 C ATOM 834 O SER A 55 -10.286 4.183 -4.129 1.00 0.00 O ATOM 835 CB SER A 55 -9.941 2.446 -1.184 1.00 0.00 C ATOM 836 OG SER A 55 -8.612 2.563 -0.706 1.00 0.00 O ATOM 0 H SER A 55 -12.153 3.110 -2.770 1.00 0.00 H new ATOM 0 HA SER A 55 -10.236 4.571 -1.053 1.00 0.00 H new ATOM 0 HB2 SER A 55 -10.597 2.136 -0.371 1.00 0.00 H new ATOM 0 HB3 SER A 55 -9.990 1.669 -1.947 1.00 0.00 H new ATOM 0 HG SER A 55 -8.429 3.497 -0.474 1.00 0.00 H new ATOM 842 N SER A 56 -8.369 4.233 -2.952 1.00 0.00 N ATOM 843 CA SER A 56 -7.537 4.536 -4.110 1.00 0.00 C ATOM 844 C SER A 56 -6.324 3.613 -4.164 1.00 0.00 C ATOM 845 O SER A 56 -5.580 3.490 -3.192 1.00 0.00 O ATOM 846 CB SER A 56 -7.080 5.996 -4.069 1.00 0.00 C ATOM 847 OG SER A 56 -8.188 6.878 -4.089 1.00 0.00 O ATOM 0 H SER A 56 -7.856 4.150 -2.075 1.00 0.00 H new ATOM 0 HA SER A 56 -8.134 4.375 -5.007 1.00 0.00 H new ATOM 0 HB2 SER A 56 -6.489 6.170 -3.170 1.00 0.00 H new ATOM 0 HB3 SER A 56 -6.432 6.202 -4.921 1.00 0.00 H new ATOM 0 HG SER A 56 -7.869 7.804 -4.060 1.00 0.00 H new ATOM 853 N MET A 57 -6.132 2.965 -5.309 1.00 0.00 N ATOM 854 CA MET A 57 -5.009 2.053 -5.491 1.00 0.00 C ATOM 855 C MET A 57 -3.897 2.715 -6.300 1.00 0.00 C ATOM 856 O MET A 57 -4.162 3.492 -7.216 1.00 0.00 O ATOM 857 CB MET A 57 -5.471 0.773 -6.190 1.00 0.00 C ATOM 858 CG MET A 57 -6.416 -0.071 -5.350 1.00 0.00 C ATOM 859 SD MET A 57 -6.614 -1.742 -5.996 1.00 0.00 S ATOM 860 CE MET A 57 -6.017 -2.712 -4.614 1.00 0.00 C ATOM 0 H MET A 57 -6.739 3.055 -6.124 1.00 0.00 H new ATOM 0 HA MET A 57 -4.617 1.799 -4.506 1.00 0.00 H new ATOM 0 HB2 MET A 57 -5.966 1.037 -7.124 1.00 0.00 H new ATOM 0 HB3 MET A 57 -4.597 0.175 -6.450 1.00 0.00 H new ATOM 0 HG2 MET A 57 -6.040 -0.123 -4.328 1.00 0.00 H new ATOM 0 HG3 MET A 57 -7.390 0.416 -5.307 1.00 0.00 H new ATOM 0 HE1 MET A 57 -5.925 -3.756 -4.915 1.00 0.00 H new ATOM 0 HE2 MET A 57 -5.042 -2.338 -4.301 1.00 0.00 H new ATOM 0 HE3 MET A 57 -6.719 -2.634 -3.784 1.00 0.00 H new ATOM 870 N ALA A 58 -2.653 2.401 -5.954 1.00 0.00 N ATOM 871 CA ALA A 58 -1.502 2.964 -6.649 1.00 0.00 C ATOM 872 C ALA A 58 -0.489 1.879 -7.001 1.00 0.00 C ATOM 873 O ALA A 58 -0.115 1.068 -6.154 1.00 0.00 O ATOM 874 CB ALA A 58 -0.848 4.043 -5.799 1.00 0.00 C ATOM 0 H ALA A 58 -2.417 1.760 -5.197 1.00 0.00 H new ATOM 0 HA ALA A 58 -1.853 3.412 -7.578 1.00 0.00 H new ATOM 0 HB1 ALA A 58 0.010 4.455 -6.330 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -1.568 4.837 -5.602 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -0.517 3.611 -4.855 1.00 0.00 H new ATOM 880 N ARG A 59 -0.049 1.872 -8.255 1.00 0.00 N ATOM 881 CA ARG A 59 0.919 0.885 -8.719 1.00 0.00 C ATOM 882 C ARG A 59 2.346 1.372 -8.483 1.00 0.00 C ATOM 883 O ARG A 59 2.645 2.554 -8.650 1.00 0.00 O ATOM 884 CB ARG A 59 0.708 0.592 -10.205 1.00 0.00 C ATOM 885 CG ARG A 59 -0.279 -0.533 -10.470 1.00 0.00 C ATOM 886 CD ARG A 59 -0.935 -0.390 -11.834 1.00 0.00 C ATOM 887 NE ARG A 59 -0.158 -1.040 -12.886 1.00 0.00 N ATOM 888 CZ ARG A 59 -0.299 -0.769 -14.179 1.00 0.00 C ATOM 889 NH1 ARG A 59 -1.183 0.136 -14.577 1.00 0.00 N ATOM 890 NH2 ARG A 59 0.445 -1.402 -15.076 1.00 0.00 N ATOM 0 H ARG A 59 -0.347 2.538 -8.968 1.00 0.00 H new ATOM 0 HA ARG A 59 0.767 -0.032 -8.150 1.00 0.00 H new ATOM 0 HB2 ARG A 59 0.355 1.497 -10.699 1.00 0.00 H new ATOM 0 HB3 ARG A 59 1.667 0.336 -10.656 1.00 0.00 H new ATOM 0 HG2 ARG A 59 0.236 -1.492 -10.412 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -1.046 -0.536 -9.695 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -1.935 -0.822 -11.802 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -1.052 0.667 -12.071 1.00 0.00 H new ATOM 0 HE ARG A 59 0.531 -1.741 -12.613 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -1.756 0.626 -13.890 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -1.290 0.342 -15.570 1.00 0.00 H new ATOM 0 HH21 ARG A 59 1.127 -2.098 -14.774 1.00 0.00 H new ATOM 0 HH22 ARG A 59 0.336 -1.193 -16.068 1.00 0.00 H new ATOM 904 N SER A 60 3.223 0.452 -8.094 1.00 0.00 N ATOM 905 CA SER A 60 4.617 0.787 -7.831 1.00 0.00 C ATOM 906 C SER A 60 5.550 -0.259 -8.432 1.00 0.00 C ATOM 907 O SER A 60 5.386 -1.457 -8.204 1.00 0.00 O ATOM 908 CB SER A 60 4.861 0.899 -6.324 1.00 0.00 C ATOM 909 OG SER A 60 5.921 1.798 -6.045 1.00 0.00 O ATOM 0 H SER A 60 2.992 -0.532 -7.954 1.00 0.00 H new ATOM 0 HA SER A 60 4.828 1.749 -8.299 1.00 0.00 H new ATOM 0 HB2 SER A 60 3.951 1.239 -5.829 1.00 0.00 H new ATOM 0 HB3 SER A 60 5.097 -0.084 -5.916 1.00 0.00 H new ATOM 0 HG SER A 60 6.373 1.525 -5.219 1.00 0.00 H new ATOM 915 N GLN A 61 6.530 0.204 -9.202 1.00 0.00 N ATOM 916 CA GLN A 61 7.490 -0.692 -9.837 1.00 0.00 C ATOM 917 C GLN A 61 8.570 -1.122 -8.850 1.00 0.00 C ATOM 918 O GLN A 61 9.421 -1.953 -9.167 1.00 0.00 O ATOM 919 CB GLN A 61 8.131 -0.011 -11.048 1.00 0.00 C ATOM 920 CG GLN A 61 7.130 0.398 -12.117 1.00 0.00 C ATOM 921 CD GLN A 61 6.571 1.789 -11.892 1.00 0.00 C ATOM 922 OE1 GLN A 61 5.358 1.995 -11.918 1.00 0.00 O ATOM 923 NE2 GLN A 61 7.457 2.754 -11.671 1.00 0.00 N ATOM 0 H GLN A 61 6.680 1.193 -9.401 1.00 0.00 H new ATOM 0 HA GLN A 61 6.954 -1.581 -10.170 1.00 0.00 H new ATOM 0 HB2 GLN A 61 8.673 0.873 -10.712 1.00 0.00 H new ATOM 0 HB3 GLN A 61 8.864 -0.687 -11.488 1.00 0.00 H new ATOM 0 HG2 GLN A 61 7.611 0.358 -13.094 1.00 0.00 H new ATOM 0 HG3 GLN A 61 6.310 -0.320 -12.135 1.00 0.00 H new ATOM 0 HE21 GLN A 61 8.454 2.538 -11.658 1.00 0.00 H new ATOM 0 HE22 GLN A 61 7.140 3.711 -11.514 1.00 0.00 H new ATOM 932 N THR A 62 8.529 -0.550 -7.650 1.00 0.00 N ATOM 933 CA THR A 62 9.505 -0.873 -6.617 1.00 0.00 C ATOM 934 C THR A 62 8.817 -1.225 -5.303 1.00 0.00 C ATOM 935 O THR A 62 7.597 -1.126 -5.184 1.00 0.00 O ATOM 936 CB THR A 62 10.477 0.298 -6.377 1.00 0.00 C ATOM 937 OG1 THR A 62 11.218 0.080 -5.171 1.00 0.00 O ATOM 938 CG2 THR A 62 9.724 1.616 -6.283 1.00 0.00 C ATOM 0 H THR A 62 7.831 0.139 -7.370 1.00 0.00 H new ATOM 0 HA THR A 62 10.068 -1.736 -6.972 1.00 0.00 H new ATOM 0 HB THR A 62 11.164 0.350 -7.222 1.00 0.00 H new ATOM 0 HG1 THR A 62 12.031 0.628 -5.183 1.00 0.00 H new ATOM 0 HG21 THR A 62 10.431 2.428 -6.113 1.00 0.00 H new ATOM 0 HG22 THR A 62 9.184 1.794 -7.213 1.00 0.00 H new ATOM 0 HG23 THR A 62 9.016 1.572 -5.455 1.00 0.00 H new ATOM 946 N ASN A 63 9.609 -1.636 -4.317 1.00 0.00 N ATOM 947 CA ASN A 63 9.076 -2.003 -3.011 1.00 0.00 C ATOM 948 C ASN A 63 8.890 -0.769 -2.133 1.00 0.00 C ATOM 949 O ASN A 63 8.857 -0.865 -0.905 1.00 0.00 O ATOM 950 CB ASN A 63 10.008 -3.000 -2.318 1.00 0.00 C ATOM 951 CG ASN A 63 9.657 -4.439 -2.641 1.00 0.00 C ATOM 952 OD1 ASN A 63 9.917 -4.921 -3.743 1.00 0.00 O ATOM 953 ND2 ASN A 63 9.063 -5.134 -1.677 1.00 0.00 N ATOM 0 H ASN A 63 10.622 -1.723 -4.399 1.00 0.00 H new ATOM 0 HA ASN A 63 8.103 -2.470 -3.162 1.00 0.00 H new ATOM 0 HB2 ASN A 63 11.036 -2.803 -2.621 1.00 0.00 H new ATOM 0 HB3 ASN A 63 9.959 -2.850 -1.239 1.00 0.00 H new ATOM 0 HD21 ASN A 63 8.804 -6.108 -1.836 1.00 0.00 H new ATOM 0 HD22 ASN A 63 8.866 -4.694 -0.778 1.00 0.00 H new ATOM 960 N THR A 64 8.768 0.391 -2.770 1.00 0.00 N ATOM 961 CA THR A 64 8.586 1.644 -2.049 1.00 0.00 C ATOM 962 C THR A 64 7.682 2.598 -2.822 1.00 0.00 C ATOM 963 O THR A 64 7.928 2.890 -3.992 1.00 0.00 O ATOM 964 CB THR A 64 9.934 2.339 -1.780 1.00 0.00 C ATOM 965 OG1 THR A 64 9.714 3.625 -1.191 1.00 0.00 O ATOM 966 CG2 THR A 64 10.730 2.494 -3.067 1.00 0.00 C ATOM 0 H THR A 64 8.792 0.489 -3.785 1.00 0.00 H new ATOM 0 HA THR A 64 8.117 1.394 -1.097 1.00 0.00 H new ATOM 0 HB THR A 64 10.506 1.718 -1.091 1.00 0.00 H new ATOM 0 HG1 THR A 64 10.576 4.059 -1.022 1.00 0.00 H new ATOM 0 HG21 THR A 64 11.678 2.987 -2.851 1.00 0.00 H new ATOM 0 HG22 THR A 64 10.922 1.511 -3.497 1.00 0.00 H new ATOM 0 HG23 THR A 64 10.161 3.095 -3.776 1.00 0.00 H new ATOM 974 N ALA A 65 6.635 3.080 -2.161 1.00 0.00 N ATOM 975 CA ALA A 65 5.696 4.003 -2.786 1.00 0.00 C ATOM 976 C ALA A 65 5.205 5.046 -1.788 1.00 0.00 C ATOM 977 O ALA A 65 5.087 4.770 -0.594 1.00 0.00 O ATOM 978 CB ALA A 65 4.519 3.239 -3.376 1.00 0.00 C ATOM 0 H ALA A 65 6.416 2.847 -1.193 1.00 0.00 H new ATOM 0 HA ALA A 65 6.217 4.524 -3.589 1.00 0.00 H new ATOM 0 HB1 ALA A 65 3.825 3.941 -3.840 1.00 0.00 H new ATOM 0 HB2 ALA A 65 4.881 2.537 -4.127 1.00 0.00 H new ATOM 0 HB3 ALA A 65 4.007 2.692 -2.585 1.00 0.00 H new ATOM 984 N ARG A 66 4.921 6.246 -2.285 1.00 0.00 N ATOM 985 CA ARG A 66 4.445 7.331 -1.436 1.00 0.00 C ATOM 986 C ARG A 66 3.017 7.724 -1.806 1.00 0.00 C ATOM 987 O ARG A 66 2.701 7.921 -2.979 1.00 0.00 O ATOM 988 CB ARG A 66 5.367 8.545 -1.558 1.00 0.00 C ATOM 989 CG ARG A 66 4.770 9.824 -0.994 1.00 0.00 C ATOM 990 CD ARG A 66 5.563 11.047 -1.426 1.00 0.00 C ATOM 991 NE ARG A 66 5.077 12.268 -0.787 1.00 0.00 N ATOM 992 CZ ARG A 66 5.431 13.489 -1.172 1.00 0.00 C ATOM 993 NH1 ARG A 66 6.268 13.652 -2.187 1.00 0.00 N ATOM 994 NH2 ARG A 66 4.946 14.551 -0.541 1.00 0.00 N ATOM 0 H ARG A 66 5.012 6.491 -3.271 1.00 0.00 H new ATOM 0 HA ARG A 66 4.452 6.981 -0.404 1.00 0.00 H new ATOM 0 HB2 ARG A 66 6.303 8.333 -1.041 1.00 0.00 H new ATOM 0 HB3 ARG A 66 5.611 8.701 -2.609 1.00 0.00 H new ATOM 0 HG2 ARG A 66 3.737 9.922 -1.328 1.00 0.00 H new ATOM 0 HG3 ARG A 66 4.750 9.768 0.094 1.00 0.00 H new ATOM 0 HD2 ARG A 66 6.615 10.903 -1.179 1.00 0.00 H new ATOM 0 HD3 ARG A 66 5.501 11.155 -2.509 1.00 0.00 H new ATOM 0 HE ARG A 66 4.431 12.178 -0.003 1.00 0.00 H new ATOM 0 HH11 ARG A 66 6.642 12.838 -2.675 1.00 0.00 H new ATOM 0 HH12 ARG A 66 6.538 14.591 -2.480 1.00 0.00 H new ATOM 0 HH21 ARG A 66 4.301 14.430 0.240 1.00 0.00 H new ATOM 0 HH22 ARG A 66 5.218 15.488 -0.837 1.00 0.00 H new ATOM 1008 N ILE A 67 2.160 7.836 -0.797 1.00 0.00 N ATOM 1009 CA ILE A 67 0.767 8.206 -1.016 1.00 0.00 C ATOM 1010 C ILE A 67 0.571 9.713 -0.880 1.00 0.00 C ATOM 1011 O ILE A 67 0.901 10.302 0.149 1.00 0.00 O ATOM 1012 CB ILE A 67 -0.169 7.487 -0.027 1.00 0.00 C ATOM 1013 CG1 ILE A 67 0.367 6.089 0.291 1.00 0.00 C ATOM 1014 CG2 ILE A 67 -1.577 7.404 -0.596 1.00 0.00 C ATOM 1015 CD1 ILE A 67 0.314 5.140 -0.886 1.00 0.00 C ATOM 0 H ILE A 67 2.406 7.676 0.180 1.00 0.00 H new ATOM 0 HA ILE A 67 0.515 7.899 -2.031 1.00 0.00 H new ATOM 0 HB ILE A 67 -0.206 8.061 0.899 1.00 0.00 H new ATOM 0 HG12 ILE A 67 1.398 6.173 0.633 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -0.209 5.666 1.114 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -2.227 6.893 0.114 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -1.956 8.410 -0.777 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -1.558 6.849 -1.534 1.00 0.00 H new ATOM 0 HD11 ILE A 67 0.709 4.169 -0.588 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -0.719 5.026 -1.215 1.00 0.00 H new ATOM 0 HD13 ILE A 67 0.913 5.541 -1.704 1.00 0.00 H new ATOM 1027 N ASP A 68 0.029 10.329 -1.924 1.00 0.00 N ATOM 1028 CA ASP A 68 -0.215 11.767 -1.921 1.00 0.00 C ATOM 1029 C ASP A 68 -1.704 12.066 -2.064 1.00 0.00 C ATOM 1030 O ASP A 68 -2.436 11.324 -2.718 1.00 0.00 O ATOM 1031 CB ASP A 68 0.564 12.441 -3.053 1.00 0.00 C ATOM 1032 CG ASP A 68 0.284 11.811 -4.403 1.00 0.00 C ATOM 1033 OD1 ASP A 68 -0.748 12.156 -5.017 1.00 0.00 O ATOM 1034 OD2 ASP A 68 1.097 10.973 -4.846 1.00 0.00 O ATOM 0 H ASP A 68 -0.250 9.856 -2.783 1.00 0.00 H new ATOM 0 HA ASP A 68 0.128 12.166 -0.966 1.00 0.00 H new ATOM 0 HB2 ASP A 68 0.305 13.499 -3.088 1.00 0.00 H new ATOM 0 HB3 ASP A 68 1.632 12.381 -2.842 1.00 0.00 H new ATOM 1039 N GLY A 69 -2.146 13.157 -1.446 1.00 0.00 N ATOM 1040 CA GLY A 69 -3.545 13.534 -1.515 1.00 0.00 C ATOM 1041 C GLY A 69 -4.285 13.257 -0.221 1.00 0.00 C ATOM 1042 O GLY A 69 -5.436 12.818 -0.237 1.00 0.00 O ATOM 0 H GLY A 69 -1.559 13.787 -0.898 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -3.621 14.595 -1.753 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -4.025 12.990 -2.328 1.00 0.00 H new ATOM 1046 N LEU A 70 -3.624 13.512 0.902 1.00 0.00 N ATOM 1047 CA LEU A 70 -4.226 13.285 2.212 1.00 0.00 C ATOM 1048 C LEU A 70 -4.261 14.575 3.025 1.00 0.00 C ATOM 1049 O LEU A 70 -3.631 15.568 2.660 1.00 0.00 O ATOM 1050 CB LEU A 70 -3.448 12.210 2.973 1.00 0.00 C ATOM 1051 CG LEU A 70 -3.026 10.985 2.161 1.00 0.00 C ATOM 1052 CD1 LEU A 70 -1.911 10.233 2.871 1.00 0.00 C ATOM 1053 CD2 LEU A 70 -4.217 10.071 1.916 1.00 0.00 C ATOM 0 H LEU A 70 -2.672 13.876 0.933 1.00 0.00 H new ATOM 0 HA LEU A 70 -5.250 12.944 2.060 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -2.553 12.668 3.394 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -4.058 11.873 3.811 1.00 0.00 H new ATOM 0 HG LEU A 70 -2.650 11.324 1.196 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -1.623 9.364 2.279 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -1.050 10.890 2.994 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -2.260 9.905 3.850 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -3.898 9.205 1.337 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -4.623 9.739 2.871 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -4.985 10.614 1.364 1.00 0.00 H new ATOM 1065 N ARG A 71 -5.001 14.553 4.129 1.00 0.00 N ATOM 1066 CA ARG A 71 -5.118 15.720 4.994 1.00 0.00 C ATOM 1067 C ARG A 71 -4.252 15.561 6.241 1.00 0.00 C ATOM 1068 O ARG A 71 -3.958 14.452 6.686 1.00 0.00 O ATOM 1069 CB ARG A 71 -6.577 15.938 5.398 1.00 0.00 C ATOM 1070 CG ARG A 71 -7.497 16.230 4.224 1.00 0.00 C ATOM 1071 CD ARG A 71 -7.470 17.703 3.848 1.00 0.00 C ATOM 1072 NE ARG A 71 -8.185 18.528 4.818 1.00 0.00 N ATOM 1073 CZ ARG A 71 -8.628 19.753 4.557 1.00 0.00 C ATOM 1074 NH1 ARG A 71 -8.430 20.292 3.361 1.00 0.00 N ATOM 1075 NH2 ARG A 71 -9.270 20.442 5.491 1.00 0.00 N ATOM 0 H ARG A 71 -5.528 13.739 4.445 1.00 0.00 H new ATOM 0 HA ARG A 71 -4.769 16.590 4.438 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -6.937 15.051 5.919 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -6.630 16.766 6.105 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -7.196 15.629 3.366 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -8.516 15.937 4.477 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -6.436 18.040 3.777 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -7.916 17.834 2.862 1.00 0.00 H new ATOM 0 HE ARG A 71 -8.354 18.142 5.747 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -7.937 19.766 2.640 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -8.771 21.233 3.163 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -9.424 20.032 6.412 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -9.609 21.382 5.288 1.00 0.00 H new ATOM 1089 N PRO A 72 -3.833 16.697 6.819 1.00 0.00 N ATOM 1090 CA PRO A 72 -2.995 16.711 8.022 1.00 0.00 C ATOM 1091 C PRO A 72 -3.752 16.244 9.261 1.00 0.00 C ATOM 1092 O PRO A 72 -4.857 16.708 9.536 1.00 0.00 O ATOM 1093 CB PRO A 72 -2.598 18.182 8.161 1.00 0.00 C ATOM 1094 CG PRO A 72 -3.684 18.934 7.472 1.00 0.00 C ATOM 1095 CD PRO A 72 -4.145 18.055 6.343 1.00 0.00 C ATOM 0 HA PRO A 72 -2.146 16.033 7.935 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -2.518 18.473 9.208 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -1.629 18.376 7.701 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -4.504 19.151 8.157 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -3.319 19.891 7.098 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -5.210 18.177 6.148 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -3.622 18.286 5.415 1.00 0.00 H new ATOM 1103 N GLY A 73 -3.148 15.322 10.005 1.00 0.00 N ATOM 1104 CA GLY A 73 -3.780 14.809 11.206 1.00 0.00 C ATOM 1105 C GLY A 73 -4.888 13.820 10.901 1.00 0.00 C ATOM 1106 O GLY A 73 -6.004 13.954 11.402 1.00 0.00 O ATOM 0 H GLY A 73 -2.233 14.922 9.797 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -3.028 14.326 11.831 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -4.187 15.640 11.782 1.00 0.00 H new ATOM 1110 N MET A 74 -4.580 12.825 10.076 1.00 0.00 N ATOM 1111 CA MET A 74 -5.559 11.809 9.705 1.00 0.00 C ATOM 1112 C MET A 74 -4.891 10.450 9.526 1.00 0.00 C ATOM 1113 O MET A 74 -3.752 10.362 9.068 1.00 0.00 O ATOM 1114 CB MET A 74 -6.278 12.211 8.415 1.00 0.00 C ATOM 1115 CG MET A 74 -7.342 13.277 8.619 1.00 0.00 C ATOM 1116 SD MET A 74 -8.587 12.793 9.830 1.00 0.00 S ATOM 1117 CE MET A 74 -9.606 11.696 8.847 1.00 0.00 C ATOM 0 H MET A 74 -3.661 12.700 9.652 1.00 0.00 H new ATOM 0 HA MET A 74 -6.289 11.732 10.511 1.00 0.00 H new ATOM 0 HB2 MET A 74 -5.543 12.576 7.698 1.00 0.00 H new ATOM 0 HB3 MET A 74 -6.741 11.327 7.976 1.00 0.00 H new ATOM 0 HG2 MET A 74 -6.866 14.202 8.943 1.00 0.00 H new ATOM 0 HG3 MET A 74 -7.829 13.486 7.666 1.00 0.00 H new ATOM 0 HE1 MET A 74 -10.423 11.313 9.458 1.00 0.00 H new ATOM 0 HE2 MET A 74 -10.014 12.243 7.997 1.00 0.00 H new ATOM 0 HE3 MET A 74 -9.002 10.864 8.487 1.00 0.00 H new ATOM 1127 N VAL A 75 -5.607 9.391 9.890 1.00 0.00 N ATOM 1128 CA VAL A 75 -5.084 8.036 9.769 1.00 0.00 C ATOM 1129 C VAL A 75 -5.611 7.353 8.512 1.00 0.00 C ATOM 1130 O VAL A 75 -6.792 7.463 8.183 1.00 0.00 O ATOM 1131 CB VAL A 75 -5.452 7.180 10.997 1.00 0.00 C ATOM 1132 CG1 VAL A 75 -4.856 5.786 10.874 1.00 0.00 C ATOM 1133 CG2 VAL A 75 -4.985 7.858 12.276 1.00 0.00 C ATOM 0 H VAL A 75 -6.551 9.446 10.271 1.00 0.00 H new ATOM 0 HA VAL A 75 -3.999 8.121 9.706 1.00 0.00 H new ATOM 0 HB VAL A 75 -6.537 7.082 11.039 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -5.126 5.196 11.750 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -5.243 5.302 9.977 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -3.771 5.859 10.807 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -5.253 7.241 13.134 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -3.903 7.987 12.245 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -5.464 8.833 12.367 1.00 0.00 H new ATOM 1143 N TYR A 76 -4.728 6.649 7.814 1.00 0.00 N ATOM 1144 CA TYR A 76 -5.103 5.950 6.591 1.00 0.00 C ATOM 1145 C TYR A 76 -4.552 4.527 6.585 1.00 0.00 C ATOM 1146 O TYR A 76 -3.368 4.306 6.840 1.00 0.00 O ATOM 1147 CB TYR A 76 -4.593 6.711 5.366 1.00 0.00 C ATOM 1148 CG TYR A 76 -5.237 8.067 5.184 1.00 0.00 C ATOM 1149 CD1 TYR A 76 -4.788 9.172 5.896 1.00 0.00 C ATOM 1150 CD2 TYR A 76 -6.293 8.243 4.299 1.00 0.00 C ATOM 1151 CE1 TYR A 76 -5.374 10.412 5.734 1.00 0.00 C ATOM 1152 CE2 TYR A 76 -6.884 9.480 4.129 1.00 0.00 C ATOM 1153 CZ TYR A 76 -6.421 10.561 4.849 1.00 0.00 C ATOM 1154 OH TYR A 76 -7.007 11.796 4.683 1.00 0.00 O ATOM 0 H TYR A 76 -3.747 6.547 8.074 1.00 0.00 H new ATOM 0 HA TYR A 76 -6.191 5.899 6.552 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -3.514 6.839 5.452 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -4.773 6.110 4.475 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -3.967 9.059 6.588 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -6.658 7.398 3.734 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -5.014 11.260 6.297 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -7.704 9.600 3.436 1.00 0.00 H new ATOM 0 HH TYR A 76 -7.729 11.730 4.023 1.00 0.00 H new ATOM 1164 N VAL A 77 -5.420 3.564 6.292 1.00 0.00 N ATOM 1165 CA VAL A 77 -5.022 2.162 6.251 1.00 0.00 C ATOM 1166 C VAL A 77 -4.433 1.797 4.893 1.00 0.00 C ATOM 1167 O VAL A 77 -5.164 1.568 3.929 1.00 0.00 O ATOM 1168 CB VAL A 77 -6.213 1.231 6.549 1.00 0.00 C ATOM 1169 CG1 VAL A 77 -5.759 -0.220 6.591 1.00 0.00 C ATOM 1170 CG2 VAL A 77 -6.884 1.627 7.856 1.00 0.00 C ATOM 0 H VAL A 77 -6.404 3.729 6.079 1.00 0.00 H new ATOM 0 HA VAL A 77 -4.263 2.026 7.021 1.00 0.00 H new ATOM 0 HB VAL A 77 -6.943 1.335 5.746 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -6.614 -0.863 6.803 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -5.328 -0.494 5.628 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.009 -0.344 7.372 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -7.723 0.959 8.051 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -6.164 1.553 8.671 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -7.246 2.653 7.783 1.00 0.00 H new ATOM 1180 N VAL A 78 -3.107 1.745 4.824 1.00 0.00 N ATOM 1181 CA VAL A 78 -2.419 1.407 3.584 1.00 0.00 C ATOM 1182 C VAL A 78 -1.974 -0.051 3.583 1.00 0.00 C ATOM 1183 O VAL A 78 -1.393 -0.534 4.554 1.00 0.00 O ATOM 1184 CB VAL A 78 -1.189 2.307 3.360 1.00 0.00 C ATOM 1185 CG1 VAL A 78 -0.489 1.942 2.060 1.00 0.00 C ATOM 1186 CG2 VAL A 78 -1.595 3.773 3.364 1.00 0.00 C ATOM 0 H VAL A 78 -2.488 1.933 5.612 1.00 0.00 H new ATOM 0 HA VAL A 78 -3.130 1.568 2.774 1.00 0.00 H new ATOM 0 HB VAL A 78 -0.488 2.145 4.179 1.00 0.00 H new ATOM 0 HG11 VAL A 78 0.377 2.589 1.919 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -0.163 0.903 2.102 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -1.179 2.073 1.226 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -0.714 4.395 3.205 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -2.316 3.953 2.566 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -2.047 4.023 4.324 1.00 0.00 H new ATOM 1196 N GLN A 79 -2.251 -0.748 2.485 1.00 0.00 N ATOM 1197 CA GLN A 79 -1.879 -2.152 2.357 1.00 0.00 C ATOM 1198 C GLN A 79 -1.180 -2.411 1.027 1.00 0.00 C ATOM 1199 O GLN A 79 -1.517 -1.807 0.008 1.00 0.00 O ATOM 1200 CB GLN A 79 -3.117 -3.042 2.479 1.00 0.00 C ATOM 1201 CG GLN A 79 -3.653 -3.148 3.897 1.00 0.00 C ATOM 1202 CD GLN A 79 -5.076 -3.669 3.945 1.00 0.00 C ATOM 1203 OE1 GLN A 79 -5.978 -3.104 3.327 1.00 0.00 O ATOM 1204 NE2 GLN A 79 -5.285 -4.754 4.683 1.00 0.00 N ATOM 0 H GLN A 79 -2.732 -0.363 1.672 1.00 0.00 H new ATOM 0 HA GLN A 79 -1.186 -2.393 3.163 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -3.901 -2.650 1.831 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -2.874 -4.041 2.116 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -3.008 -3.809 4.477 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -3.613 -2.167 4.371 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -4.508 -5.191 5.179 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -6.222 -5.150 4.753 1.00 0.00 H new ATOM 1213 N VAL A 80 -0.204 -3.313 1.043 1.00 0.00 N ATOM 1214 CA VAL A 80 0.543 -3.654 -0.162 1.00 0.00 C ATOM 1215 C VAL A 80 0.456 -5.146 -0.460 1.00 0.00 C ATOM 1216 O VAL A 80 0.412 -5.970 0.454 1.00 0.00 O ATOM 1217 CB VAL A 80 2.025 -3.252 -0.037 1.00 0.00 C ATOM 1218 CG1 VAL A 80 2.710 -4.071 1.046 1.00 0.00 C ATOM 1219 CG2 VAL A 80 2.736 -3.416 -1.372 1.00 0.00 C ATOM 0 H VAL A 80 0.088 -3.821 1.878 1.00 0.00 H new ATOM 0 HA VAL A 80 0.091 -3.096 -0.982 1.00 0.00 H new ATOM 0 HB VAL A 80 2.076 -2.201 0.248 1.00 0.00 H new ATOM 0 HG11 VAL A 80 3.756 -3.774 1.120 1.00 0.00 H new ATOM 0 HG12 VAL A 80 2.215 -3.898 2.001 1.00 0.00 H new ATOM 0 HG13 VAL A 80 2.651 -5.130 0.794 1.00 0.00 H new ATOM 0 HG21 VAL A 80 3.782 -3.128 -1.265 1.00 0.00 H new ATOM 0 HG22 VAL A 80 2.677 -4.457 -1.690 1.00 0.00 H new ATOM 0 HG23 VAL A 80 2.259 -2.781 -2.119 1.00 0.00 H new ATOM 1229 N ARG A 81 0.431 -5.488 -1.744 1.00 0.00 N ATOM 1230 CA ARG A 81 0.349 -6.882 -2.162 1.00 0.00 C ATOM 1231 C ARG A 81 1.288 -7.154 -3.334 1.00 0.00 C ATOM 1232 O ARG A 81 1.751 -6.228 -3.999 1.00 0.00 O ATOM 1233 CB ARG A 81 -1.088 -7.235 -2.553 1.00 0.00 C ATOM 1234 CG ARG A 81 -1.613 -6.432 -3.732 1.00 0.00 C ATOM 1235 CD ARG A 81 -2.745 -7.159 -4.441 1.00 0.00 C ATOM 1236 NE ARG A 81 -3.448 -6.291 -5.382 1.00 0.00 N ATOM 1237 CZ ARG A 81 -4.645 -6.570 -5.886 1.00 0.00 C ATOM 1238 NH1 ARG A 81 -5.268 -7.688 -5.541 1.00 0.00 N ATOM 1239 NH2 ARG A 81 -5.220 -5.730 -6.737 1.00 0.00 N ATOM 0 H ARG A 81 0.466 -4.819 -2.513 1.00 0.00 H new ATOM 0 HA ARG A 81 0.654 -7.506 -1.322 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -1.139 -8.296 -2.796 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -1.740 -7.072 -1.694 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -1.964 -5.460 -3.384 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -0.802 -6.245 -4.436 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -2.345 -8.022 -4.973 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -3.450 -7.539 -3.702 1.00 0.00 H new ATOM 0 HE ARG A 81 -2.995 -5.423 -5.668 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -4.828 -8.336 -4.887 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -6.187 -7.900 -5.929 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -4.743 -4.869 -7.005 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -6.139 -5.945 -7.123 1.00 0.00 H new ATOM 1253 N ALA A 82 1.563 -8.431 -3.580 1.00 0.00 N ATOM 1254 CA ALA A 82 2.445 -8.825 -4.671 1.00 0.00 C ATOM 1255 C ALA A 82 1.662 -9.495 -5.795 1.00 0.00 C ATOM 1256 O ALA A 82 0.872 -10.408 -5.556 1.00 0.00 O ATOM 1257 CB ALA A 82 3.536 -9.755 -4.159 1.00 0.00 C ATOM 0 H ALA A 82 1.188 -9.210 -3.038 1.00 0.00 H new ATOM 0 HA ALA A 82 2.909 -7.924 -5.073 1.00 0.00 H new ATOM 0 HB1 ALA A 82 4.187 -10.041 -4.985 1.00 0.00 H new ATOM 0 HB2 ALA A 82 4.122 -9.243 -3.395 1.00 0.00 H new ATOM 0 HB3 ALA A 82 3.081 -10.648 -3.730 1.00 0.00 H new ATOM 1263 N ARG A 83 1.886 -9.035 -7.022 1.00 0.00 N ATOM 1264 CA ARG A 83 1.199 -9.588 -8.183 1.00 0.00 C ATOM 1265 C ARG A 83 2.192 -10.235 -9.145 1.00 0.00 C ATOM 1266 O ARG A 83 3.292 -9.723 -9.357 1.00 0.00 O ATOM 1267 CB ARG A 83 0.411 -8.494 -8.905 1.00 0.00 C ATOM 1268 CG ARG A 83 -0.381 -9.001 -10.099 1.00 0.00 C ATOM 1269 CD ARG A 83 -0.828 -7.859 -10.998 1.00 0.00 C ATOM 1270 NE ARG A 83 0.305 -7.168 -11.608 1.00 0.00 N ATOM 1271 CZ ARG A 83 0.179 -6.251 -12.561 1.00 0.00 C ATOM 1272 NH1 ARG A 83 -1.023 -5.916 -13.009 1.00 0.00 N ATOM 1273 NH2 ARG A 83 1.258 -5.666 -13.066 1.00 0.00 N ATOM 0 H ARG A 83 2.538 -8.281 -7.238 1.00 0.00 H new ATOM 0 HA ARG A 83 0.507 -10.354 -7.834 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -0.274 -8.025 -8.198 1.00 0.00 H new ATOM 0 HB3 ARG A 83 1.103 -7.721 -9.240 1.00 0.00 H new ATOM 0 HG2 ARG A 83 0.230 -9.699 -10.672 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -1.253 -9.553 -9.750 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -1.480 -8.247 -11.780 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -1.416 -7.149 -10.417 1.00 0.00 H new ATOM 0 HE ARG A 83 1.244 -7.402 -11.285 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -1.854 -6.363 -12.622 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -1.116 -5.212 -13.741 1.00 0.00 H new ATOM 0 HH21 ARG A 83 2.184 -5.920 -12.722 1.00 0.00 H new ATOM 0 HH22 ARG A 83 1.161 -4.962 -13.798 1.00 0.00 H new ATOM 1287 N THR A 84 1.796 -11.364 -9.724 1.00 0.00 N ATOM 1288 CA THR A 84 2.651 -12.081 -10.662 1.00 0.00 C ATOM 1289 C THR A 84 1.866 -12.530 -11.889 1.00 0.00 C ATOM 1290 O THR A 84 0.637 -12.458 -11.913 1.00 0.00 O ATOM 1291 CB THR A 84 3.298 -13.314 -10.002 1.00 0.00 C ATOM 1292 OG1 THR A 84 2.286 -14.251 -9.616 1.00 0.00 O ATOM 1293 CG2 THR A 84 4.113 -12.909 -8.783 1.00 0.00 C ATOM 0 H THR A 84 0.889 -11.801 -9.560 1.00 0.00 H new ATOM 0 HA THR A 84 3.435 -11.388 -10.969 1.00 0.00 H new ATOM 0 HB THR A 84 3.965 -13.779 -10.728 1.00 0.00 H new ATOM 0 HG1 THR A 84 2.706 -15.032 -9.199 1.00 0.00 H new ATOM 0 HG21 THR A 84 4.560 -13.796 -8.333 1.00 0.00 H new ATOM 0 HG22 THR A 84 4.901 -12.219 -9.085 1.00 0.00 H new ATOM 0 HG23 THR A 84 3.463 -12.422 -8.056 1.00 0.00 H new ATOM 1301 N VAL A 85 2.583 -12.994 -12.908 1.00 0.00 N ATOM 1302 CA VAL A 85 1.952 -13.456 -14.139 1.00 0.00 C ATOM 1303 C VAL A 85 0.912 -14.533 -13.853 1.00 0.00 C ATOM 1304 O VAL A 85 0.088 -14.857 -14.707 1.00 0.00 O ATOM 1305 CB VAL A 85 2.994 -14.013 -15.127 1.00 0.00 C ATOM 1306 CG1 VAL A 85 3.445 -15.402 -14.702 1.00 0.00 C ATOM 1307 CG2 VAL A 85 2.428 -14.037 -16.539 1.00 0.00 C ATOM 0 H VAL A 85 3.601 -13.060 -12.905 1.00 0.00 H new ATOM 0 HA VAL A 85 1.461 -12.592 -14.588 1.00 0.00 H new ATOM 0 HB VAL A 85 3.864 -13.357 -15.119 1.00 0.00 H new ATOM 0 HG11 VAL A 85 4.181 -15.779 -15.412 1.00 0.00 H new ATOM 0 HG12 VAL A 85 3.892 -15.352 -13.709 1.00 0.00 H new ATOM 0 HG13 VAL A 85 2.586 -16.073 -14.680 1.00 0.00 H new ATOM 0 HG21 VAL A 85 3.177 -14.433 -17.225 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.541 -14.670 -16.565 1.00 0.00 H new ATOM 0 HG23 VAL A 85 2.160 -13.025 -16.841 1.00 0.00 H new ATOM 1317 N ALA A 86 0.956 -15.084 -12.644 1.00 0.00 N ATOM 1318 CA ALA A 86 0.015 -16.123 -12.243 1.00 0.00 C ATOM 1319 C ALA A 86 -1.278 -15.516 -11.709 1.00 0.00 C ATOM 1320 O ALA A 86 -2.370 -16.004 -11.998 1.00 0.00 O ATOM 1321 CB ALA A 86 0.646 -17.031 -11.199 1.00 0.00 C ATOM 0 H ALA A 86 1.633 -14.828 -11.925 1.00 0.00 H new ATOM 0 HA ALA A 86 -0.231 -16.717 -13.124 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -0.067 -17.802 -10.909 1.00 0.00 H new ATOM 0 HB2 ALA A 86 1.538 -17.500 -11.616 1.00 0.00 H new ATOM 0 HB3 ALA A 86 0.921 -16.443 -10.324 1.00 0.00 H new ATOM 1327 N GLY A 87 -1.147 -14.450 -10.926 1.00 0.00 N ATOM 1328 CA GLY A 87 -2.313 -13.795 -10.362 1.00 0.00 C ATOM 1329 C GLY A 87 -1.947 -12.744 -9.333 1.00 0.00 C ATOM 1330 O GLY A 87 -0.838 -12.210 -9.348 1.00 0.00 O ATOM 0 H GLY A 87 -0.254 -14.028 -10.672 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -2.888 -13.330 -11.163 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -2.958 -14.543 -9.900 1.00 0.00 H new ATOM 1334 N TYR A 88 -2.881 -12.445 -8.437 1.00 0.00 N ATOM 1335 CA TYR A 88 -2.653 -11.448 -7.398 1.00 0.00 C ATOM 1336 C TYR A 88 -2.366 -12.115 -6.057 1.00 0.00 C ATOM 1337 O TYR A 88 -2.794 -13.241 -5.806 1.00 0.00 O ATOM 1338 CB TYR A 88 -3.867 -10.526 -7.272 1.00 0.00 C ATOM 1339 CG TYR A 88 -3.858 -9.376 -8.254 1.00 0.00 C ATOM 1340 CD1 TYR A 88 -4.342 -9.537 -9.547 1.00 0.00 C ATOM 1341 CD2 TYR A 88 -3.365 -8.129 -7.890 1.00 0.00 C ATOM 1342 CE1 TYR A 88 -4.335 -8.489 -10.447 1.00 0.00 C ATOM 1343 CE2 TYR A 88 -3.355 -7.076 -8.783 1.00 0.00 C ATOM 1344 CZ TYR A 88 -3.841 -7.261 -10.061 1.00 0.00 C ATOM 1345 OH TYR A 88 -3.832 -6.214 -10.954 1.00 0.00 O ATOM 0 H TYR A 88 -3.804 -12.879 -8.409 1.00 0.00 H new ATOM 0 HA TYR A 88 -1.783 -10.856 -7.682 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -4.774 -11.112 -7.419 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -3.906 -10.127 -6.258 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -4.730 -10.497 -9.853 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -2.983 -7.981 -6.891 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -4.715 -8.631 -11.448 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -2.969 -6.113 -8.483 1.00 0.00 H new ATOM 0 HH TYR A 88 -3.252 -5.500 -10.616 1.00 0.00 H new ATOM 1355 N GLY A 89 -1.638 -11.410 -5.196 1.00 0.00 N ATOM 1356 CA GLY A 89 -1.305 -11.948 -3.890 1.00 0.00 C ATOM 1357 C GLY A 89 -2.098 -11.296 -2.775 1.00 0.00 C ATOM 1358 O GLY A 89 -2.736 -10.263 -2.979 1.00 0.00 O ATOM 0 H GLY A 89 -1.273 -10.476 -5.380 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -1.492 -13.022 -3.884 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -0.240 -11.809 -3.704 1.00 0.00 H new ATOM 1362 N LYS A 90 -2.060 -11.900 -1.592 1.00 0.00 N ATOM 1363 CA LYS A 90 -2.780 -11.372 -0.440 1.00 0.00 C ATOM 1364 C LYS A 90 -2.236 -10.005 -0.038 1.00 0.00 C ATOM 1365 O LYS A 90 -1.174 -9.587 -0.501 1.00 0.00 O ATOM 1366 CB LYS A 90 -2.676 -12.341 0.740 1.00 0.00 C ATOM 1367 CG LYS A 90 -3.710 -13.454 0.706 1.00 0.00 C ATOM 1368 CD LYS A 90 -3.260 -14.606 -0.177 1.00 0.00 C ATOM 1369 CE LYS A 90 -2.321 -15.544 0.567 1.00 0.00 C ATOM 1370 NZ LYS A 90 -3.038 -16.344 1.598 1.00 0.00 N ATOM 0 H LYS A 90 -1.538 -12.756 -1.406 1.00 0.00 H new ATOM 0 HA LYS A 90 -3.828 -11.259 -0.719 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -1.679 -12.782 0.750 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -2.786 -11.782 1.669 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -3.888 -13.818 1.718 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -4.657 -13.061 0.338 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -4.131 -15.161 -0.524 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -2.759 -14.214 -1.062 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -1.840 -16.216 -0.144 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -1.530 -14.964 1.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -2.451 -17.156 1.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -3.226 -15.749 2.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -3.939 -16.686 1.207 1.00 0.00 H new ATOM 1384 N PHE A 91 -2.969 -9.313 0.828 1.00 0.00 N ATOM 1385 CA PHE A 91 -2.560 -7.993 1.293 1.00 0.00 C ATOM 1386 C PHE A 91 -1.771 -8.095 2.595 1.00 0.00 C ATOM 1387 O PHE A 91 -2.197 -8.757 3.541 1.00 0.00 O ATOM 1388 CB PHE A 91 -3.784 -7.097 1.494 1.00 0.00 C ATOM 1389 CG PHE A 91 -4.189 -6.348 0.257 1.00 0.00 C ATOM 1390 CD1 PHE A 91 -3.343 -5.408 -0.309 1.00 0.00 C ATOM 1391 CD2 PHE A 91 -5.416 -6.585 -0.341 1.00 0.00 C ATOM 1392 CE1 PHE A 91 -3.713 -4.718 -1.447 1.00 0.00 C ATOM 1393 CE2 PHE A 91 -5.792 -5.898 -1.480 1.00 0.00 C ATOM 1394 CZ PHE A 91 -4.939 -4.963 -2.034 1.00 0.00 C ATOM 0 H PHE A 91 -3.849 -9.645 1.222 1.00 0.00 H new ATOM 0 HA PHE A 91 -1.916 -7.551 0.532 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -4.621 -7.709 1.829 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -3.574 -6.382 2.289 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -2.383 -5.212 0.145 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -6.087 -7.315 0.088 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -3.044 -3.987 -1.877 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -6.751 -6.092 -1.936 1.00 0.00 H new ATOM 0 HZ PHE A 91 -5.230 -4.425 -2.924 1.00 0.00 H new ATOM 1404 N SER A 92 -0.618 -7.436 2.635 1.00 0.00 N ATOM 1405 CA SER A 92 0.234 -7.455 3.818 1.00 0.00 C ATOM 1406 C SER A 92 -0.543 -7.011 5.054 1.00 0.00 C ATOM 1407 O SER A 92 -1.633 -6.451 4.948 1.00 0.00 O ATOM 1408 CB SER A 92 1.450 -6.550 3.613 1.00 0.00 C ATOM 1409 OG SER A 92 1.075 -5.183 3.621 1.00 0.00 O ATOM 0 H SER A 92 -0.252 -6.882 1.861 1.00 0.00 H new ATOM 0 HA SER A 92 0.575 -8.479 3.973 1.00 0.00 H new ATOM 0 HB2 SER A 92 2.181 -6.734 4.400 1.00 0.00 H new ATOM 0 HB3 SER A 92 1.932 -6.793 2.666 1.00 0.00 H new ATOM 0 HG SER A 92 1.269 -4.796 4.500 1.00 0.00 H new ATOM 1415 N GLY A 93 0.028 -7.266 6.227 1.00 0.00 N ATOM 1416 CA GLY A 93 -0.624 -6.886 7.467 1.00 0.00 C ATOM 1417 C GLY A 93 -1.276 -5.520 7.385 1.00 0.00 C ATOM 1418 O GLY A 93 -0.976 -4.734 6.487 1.00 0.00 O ATOM 0 H GLY A 93 0.930 -7.729 6.341 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -1.379 -7.631 7.720 1.00 0.00 H new ATOM 0 HA3 GLY A 93 0.108 -6.888 8.274 1.00 0.00 H new ATOM 1422 N LYS A 94 -2.172 -5.237 8.324 1.00 0.00 N ATOM 1423 CA LYS A 94 -2.870 -3.957 8.355 1.00 0.00 C ATOM 1424 C LYS A 94 -2.114 -2.946 9.212 1.00 0.00 C ATOM 1425 O LYS A 94 -1.965 -3.130 10.419 1.00 0.00 O ATOM 1426 CB LYS A 94 -4.290 -4.139 8.896 1.00 0.00 C ATOM 1427 CG LYS A 94 -5.306 -3.206 8.263 1.00 0.00 C ATOM 1428 CD LYS A 94 -6.431 -2.868 9.228 1.00 0.00 C ATOM 1429 CE LYS A 94 -7.641 -2.306 8.499 1.00 0.00 C ATOM 1430 NZ LYS A 94 -8.908 -2.581 9.232 1.00 0.00 N ATOM 0 H LYS A 94 -2.432 -5.877 9.074 1.00 0.00 H new ATOM 0 HA LYS A 94 -2.923 -3.576 7.335 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -4.603 -5.170 8.731 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -4.283 -3.977 9.974 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -4.810 -2.289 7.945 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -5.720 -3.671 7.368 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -6.720 -3.763 9.779 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -6.077 -2.143 9.961 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -7.521 -1.230 8.372 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -7.697 -2.740 7.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -9.709 -2.182 8.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -9.036 -3.608 9.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -8.865 -2.145 10.175 1.00 0.00 H new ATOM 1444 N MET A 95 -1.641 -1.878 8.579 1.00 0.00 N ATOM 1445 CA MET A 95 -0.903 -0.836 9.285 1.00 0.00 C ATOM 1446 C MET A 95 -1.625 0.503 9.187 1.00 0.00 C ATOM 1447 O MET A 95 -2.310 0.779 8.201 1.00 0.00 O ATOM 1448 CB MET A 95 0.512 -0.709 8.716 1.00 0.00 C ATOM 1449 CG MET A 95 1.537 -0.240 9.736 1.00 0.00 C ATOM 1450 SD MET A 95 1.990 -1.533 10.909 1.00 0.00 S ATOM 1451 CE MET A 95 3.229 -2.422 9.971 1.00 0.00 C ATOM 0 H MET A 95 -1.755 -1.711 7.579 1.00 0.00 H new ATOM 0 HA MET A 95 -0.840 -1.118 10.336 1.00 0.00 H new ATOM 0 HB2 MET A 95 0.823 -1.675 8.318 1.00 0.00 H new ATOM 0 HB3 MET A 95 0.497 -0.010 7.880 1.00 0.00 H new ATOM 0 HG2 MET A 95 2.431 0.103 9.216 1.00 0.00 H new ATOM 0 HG3 MET A 95 1.137 0.616 10.280 1.00 0.00 H new ATOM 0 HE1 MET A 95 4.071 -2.664 10.619 1.00 0.00 H new ATOM 0 HE2 MET A 95 2.797 -3.342 9.578 1.00 0.00 H new ATOM 0 HE3 MET A 95 3.574 -1.801 9.144 1.00 0.00 H new ATOM 1461 N CYS A 96 -1.468 1.332 10.213 1.00 0.00 N ATOM 1462 CA CYS A 96 -2.107 2.643 10.243 1.00 0.00 C ATOM 1463 C CYS A 96 -1.065 3.754 10.320 1.00 0.00 C ATOM 1464 O CYS A 96 -0.385 3.913 11.334 1.00 0.00 O ATOM 1465 CB CYS A 96 -3.063 2.740 11.432 1.00 0.00 C ATOM 1466 SG CYS A 96 -2.276 2.465 13.037 1.00 0.00 S ATOM 0 H CYS A 96 -0.903 1.120 11.036 1.00 0.00 H new ATOM 0 HA CYS A 96 -2.674 2.765 9.320 1.00 0.00 H new ATOM 0 HB2 CYS A 96 -3.527 3.726 11.431 1.00 0.00 H new ATOM 0 HB3 CYS A 96 -3.863 2.011 11.302 1.00 0.00 H new ATOM 0 HG CYS A 96 -1.088 2.992 13.034 1.00 0.00 H new ATOM 1472 N PHE A 97 -0.943 4.519 9.240 1.00 0.00 N ATOM 1473 CA PHE A 97 0.019 5.614 9.184 1.00 0.00 C ATOM 1474 C PHE A 97 -0.692 6.964 9.218 1.00 0.00 C ATOM 1475 O PHE A 97 -1.498 7.274 8.342 1.00 0.00 O ATOM 1476 CB PHE A 97 0.873 5.506 7.919 1.00 0.00 C ATOM 1477 CG PHE A 97 1.483 4.148 7.722 1.00 0.00 C ATOM 1478 CD1 PHE A 97 2.630 3.784 8.408 1.00 0.00 C ATOM 1479 CD2 PHE A 97 0.911 3.237 6.850 1.00 0.00 C ATOM 1480 CE1 PHE A 97 3.195 2.535 8.230 1.00 0.00 C ATOM 1481 CE2 PHE A 97 1.470 1.986 6.667 1.00 0.00 C ATOM 1482 CZ PHE A 97 2.614 1.635 7.357 1.00 0.00 C ATOM 0 H PHE A 97 -1.498 4.401 8.392 1.00 0.00 H new ATOM 0 HA PHE A 97 0.666 5.542 10.058 1.00 0.00 H new ATOM 0 HB2 PHE A 97 0.257 5.748 7.053 1.00 0.00 H new ATOM 0 HB3 PHE A 97 1.668 6.250 7.963 1.00 0.00 H new ATOM 0 HD1 PHE A 97 3.088 4.485 9.090 1.00 0.00 H new ATOM 0 HD2 PHE A 97 0.018 3.507 6.306 1.00 0.00 H new ATOM 0 HE1 PHE A 97 4.089 2.263 8.772 1.00 0.00 H new ATOM 0 HE2 PHE A 97 1.013 1.284 5.985 1.00 0.00 H new ATOM 0 HZ PHE A 97 3.054 0.659 7.214 1.00 0.00 H new ATOM 1492 N GLN A 98 -0.386 7.761 10.237 1.00 0.00 N ATOM 1493 CA GLN A 98 -0.996 9.077 10.386 1.00 0.00 C ATOM 1494 C GLN A 98 -0.051 10.173 9.904 1.00 0.00 C ATOM 1495 O GLN A 98 1.158 10.108 10.126 1.00 0.00 O ATOM 1496 CB GLN A 98 -1.377 9.323 11.847 1.00 0.00 C ATOM 1497 CG GLN A 98 -2.053 10.664 12.082 1.00 0.00 C ATOM 1498 CD GLN A 98 -2.919 10.671 13.327 1.00 0.00 C ATOM 1499 OE1 GLN A 98 -4.147 10.688 13.242 1.00 0.00 O ATOM 1500 NE2 GLN A 98 -2.281 10.658 14.491 1.00 0.00 N ATOM 0 H GLN A 98 0.280 7.519 10.971 1.00 0.00 H new ATOM 0 HA GLN A 98 -1.897 9.103 9.773 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -2.043 8.527 12.179 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -0.479 9.265 12.463 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -1.292 11.440 12.169 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -2.666 10.914 11.216 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -1.261 10.644 14.514 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -2.810 10.662 15.363 1.00 0.00 H new ATOM 1509 N THR A 99 -0.611 11.180 9.240 1.00 0.00 N ATOM 1510 CA THR A 99 0.181 12.290 8.725 1.00 0.00 C ATOM 1511 C THR A 99 0.714 13.159 9.858 1.00 0.00 C ATOM 1512 O THR A 99 0.422 12.916 11.030 1.00 0.00 O ATOM 1513 CB THR A 99 -0.641 13.167 7.763 1.00 0.00 C ATOM 1514 OG1 THR A 99 -1.932 13.433 8.323 1.00 0.00 O ATOM 1515 CG2 THR A 99 -0.800 12.487 6.411 1.00 0.00 C ATOM 0 H THR A 99 -1.610 11.249 9.046 1.00 0.00 H new ATOM 0 HA THR A 99 1.019 11.854 8.181 1.00 0.00 H new ATOM 0 HB THR A 99 -0.107 14.106 7.619 1.00 0.00 H new ATOM 0 HG1 THR A 99 -2.525 13.785 7.626 1.00 0.00 H new ATOM 0 HG21 THR A 99 -1.384 13.126 5.749 1.00 0.00 H new ATOM 0 HG22 THR A 99 0.183 12.313 5.973 1.00 0.00 H new ATOM 0 HG23 THR A 99 -1.313 11.534 6.541 1.00 0.00 H new ATOM 1523 N LEU A 100 1.495 14.173 9.503 1.00 0.00 N ATOM 1524 CA LEU A 100 2.068 15.080 10.491 1.00 0.00 C ATOM 1525 C LEU A 100 1.046 16.123 10.930 1.00 0.00 C ATOM 1526 O LEU A 100 0.506 16.864 10.107 1.00 0.00 O ATOM 1527 CB LEU A 100 3.307 15.771 9.920 1.00 0.00 C ATOM 1528 CG LEU A 100 4.492 14.862 9.592 1.00 0.00 C ATOM 1529 CD1 LEU A 100 5.318 15.450 8.459 1.00 0.00 C ATOM 1530 CD2 LEU A 100 5.355 14.644 10.826 1.00 0.00 C ATOM 0 H LEU A 100 1.746 14.388 8.538 1.00 0.00 H new ATOM 0 HA LEU A 100 2.357 14.493 11.363 1.00 0.00 H new ATOM 0 HB2 LEU A 100 3.018 16.299 9.011 1.00 0.00 H new ATOM 0 HB3 LEU A 100 3.640 16.524 10.634 1.00 0.00 H new ATOM 0 HG LEU A 100 4.105 13.896 9.269 1.00 0.00 H new ATOM 0 HD11 LEU A 100 6.157 14.789 8.239 1.00 0.00 H new ATOM 0 HD12 LEU A 100 4.695 15.553 7.570 1.00 0.00 H new ATOM 0 HD13 LEU A 100 5.695 16.429 8.754 1.00 0.00 H new ATOM 0 HD21 LEU A 100 6.193 13.995 10.574 1.00 0.00 H new ATOM 0 HD22 LEU A 100 5.733 15.603 11.180 1.00 0.00 H new ATOM 0 HD23 LEU A 100 4.758 14.178 11.610 1.00 0.00 H new ATOM 1542 N THR A 101 0.786 16.179 12.232 1.00 0.00 N ATOM 1543 CA THR A 101 -0.170 17.132 12.781 1.00 0.00 C ATOM 1544 C THR A 101 0.508 18.451 13.133 1.00 0.00 C ATOM 1545 O THR A 101 1.281 18.527 14.088 1.00 0.00 O ATOM 1546 CB THR A 101 -0.863 16.573 14.038 1.00 0.00 C ATOM 1547 OG1 THR A 101 0.074 16.492 15.118 1.00 0.00 O ATOM 1548 CG2 THR A 101 -1.451 15.197 13.765 1.00 0.00 C ATOM 0 H THR A 101 1.225 15.575 12.927 1.00 0.00 H new ATOM 0 HA THR A 101 -0.920 17.307 12.009 1.00 0.00 H new ATOM 0 HB THR A 101 -1.674 17.249 14.311 1.00 0.00 H new ATOM 0 HG1 THR A 101 0.880 17.001 14.891 1.00 0.00 H new ATOM 0 HG21 THR A 101 -1.935 14.823 14.667 1.00 0.00 H new ATOM 0 HG22 THR A 101 -2.185 15.268 12.962 1.00 0.00 H new ATOM 0 HG23 THR A 101 -0.655 14.513 13.470 1.00 0.00 H new ATOM 1556 N ASP A 102 0.214 19.488 12.356 1.00 0.00 N ATOM 1557 CA ASP A 102 0.795 20.805 12.587 1.00 0.00 C ATOM 1558 C ASP A 102 0.176 21.464 13.816 1.00 0.00 C ATOM 1559 O ASP A 102 -1.045 21.512 13.958 1.00 0.00 O ATOM 1560 CB ASP A 102 0.595 21.696 11.360 1.00 0.00 C ATOM 1561 CG ASP A 102 0.585 23.171 11.711 1.00 0.00 C ATOM 1562 OD1 ASP A 102 1.679 23.766 11.806 1.00 0.00 O ATOM 1563 OD2 ASP A 102 -0.517 23.731 11.892 1.00 0.00 O ATOM 0 H ASP A 102 -0.423 19.442 11.561 1.00 0.00 H new ATOM 0 HA ASP A 102 1.863 20.678 12.764 1.00 0.00 H new ATOM 0 HB2 ASP A 102 1.390 21.502 10.640 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -0.345 21.435 10.874 1.00 0.00 H new