USER MOD reduce.3.24.130724 H: found=0, std=0, add=925, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 927 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: B 65 SER OG : rot 49:sc= 0.272 USER MOD Set 1.2: B 76 TYR OH : rot -101:sc= 0.06 USER MOD Single : A 1 GLY N :NH3+ -155:sc= 1.38 (180deg=1.11) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=-0.0013) USER MOD Single : A 4 MET CE :methyl 163:sc= -0.206 (180deg=-0.772) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 7 GLN : amide:sc= -1.49! C(o=-1.5!,f=-1.7!) USER MOD Single : A 20 TYR OH : rot -69:sc= 0.417 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : B 25 HIS : no HD1:sc= -0.0689 X(o=-0.069,f=-0.064) USER MOD Single : B 27 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : B 28 GLN : amide:sc= 0.293 X(o=0.29,f=-0.19) USER MOD Single : B 34 TYR OH : rot -38:sc= 0.784 USER MOD Single : B 37 LYS NZ :NH3+ -126:sc= 0.583 (180deg=-0.279) USER MOD Single : B 38 MET CE :methyl -155:sc= 0 (180deg=-0.114) USER MOD Single : B 39 LYS NZ :NH3+ -171:sc=-0.00338 (180deg=-0.081) USER MOD Single : B 42 LYS NZ :NH3+ -153:sc= -0.697! (180deg=-2.94!) USER MOD Single : B 46 TYR OH : rot -133:sc= 0.182 USER MOD Single : B 47 LYS NZ :NH3+ -174:sc= 2.22 (180deg=2.03) USER MOD Single : B 54 ASN : amide:sc= -3.95! C(o=-3.9!,f=-3.9!) USER MOD Single : B 55 LYS NZ :NH3+ -165:sc= 1.28 (180deg=1.18) USER MOD Single : B 58 ASN :FLIP amide:sc= -0.462 F(o=-1.3,f=-0.46) USER MOD Single : B 59 SER OG : rot 180:sc= -1.83! USER MOD Single : B 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 67 SER OG : rot 180:sc= -0.188 USER MOD Single : B 68 TYR OH : rot 134:sc= 0.0644 USER MOD Single : B 69 ASN :FLIP amide:sc= -0.347 F(o=-3.8!,f=-0.35) USER MOD Single : B 73 ASN : amide:sc= -2.4 X(o=-2.4,f=-2.7) USER MOD Single : B 78 ASN : amide:sc= 0.946 K(o=0.95,f=-5.9!) USER MOD Single : B 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 82 SER OG : rot 180:sc= -0.401 USER MOD Single : B 92 ASN :FLIP amide:sc= -0.984 F(o=-2.2!,f=-0.98) USER MOD Single : B 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 100 HIS : no HD1:sc= 0 X(o=0,f=-0.16) USER MOD Single : B 103 LYS NZ :NH3+ -153:sc= 1.1 (180deg=0.946) USER MOD Single : B 106 THR OG1 : rot 180:sc= 0 USER MOD Single : B 108 TYR OH : rot 30:sc= -0.0076 USER MOD Single : B 110 TYR OH : rot -92:sc= 1.12 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 15.674 13.423 -7.597 1.00 0.00 N ATOM 2 CA GLY A 1 16.008 14.470 -6.600 1.00 0.00 C ATOM 3 C GLY A 1 15.149 14.364 -5.352 1.00 0.00 C ATOM 4 O GLY A 1 14.038 13.836 -5.414 1.00 0.00 O ATOM 0 H1 GLY A 1 16.499 13.246 -8.205 1.00 0.00 H new ATOM 0 H2 GLY A 1 15.413 12.545 -7.104 1.00 0.00 H new ATOM 0 H3 GLY A 1 14.876 13.743 -8.182 1.00 0.00 H new ATOM 0 HA2 GLY A 1 17.059 14.386 -6.324 1.00 0.00 H new ATOM 0 HA3 GLY A 1 15.874 15.454 -7.049 1.00 0.00 H new ATOM 10 N PRO A 2 15.630 14.877 -4.204 1.00 0.00 N ATOM 11 CA PRO A 2 14.938 14.752 -2.913 1.00 0.00 C ATOM 12 C PRO A 2 13.708 15.655 -2.800 1.00 0.00 C ATOM 13 O PRO A 2 13.016 15.650 -1.784 1.00 0.00 O ATOM 14 CB PRO A 2 15.997 15.180 -1.883 1.00 0.00 C ATOM 15 CG PRO A 2 17.275 15.325 -2.640 1.00 0.00 C ATOM 16 CD PRO A 2 16.892 15.612 -4.060 1.00 0.00 C ATOM 0 HA PRO A 2 14.561 13.739 -2.770 1.00 0.00 H new ATOM 0 HB2 PRO A 2 15.718 16.119 -1.405 1.00 0.00 H new ATOM 0 HB3 PRO A 2 16.095 14.436 -1.092 1.00 0.00 H new ATOM 0 HG2 PRO A 2 17.881 16.133 -2.230 1.00 0.00 H new ATOM 0 HG3 PRO A 2 17.871 14.415 -2.574 1.00 0.00 H new ATOM 0 HD2 PRO A 2 16.762 16.680 -4.237 1.00 0.00 H new ATOM 0 HD3 PRO A 2 17.648 15.262 -4.763 1.00 0.00 H new ATOM 24 N HIS A 3 13.446 16.437 -3.834 1.00 0.00 N ATOM 25 CA HIS A 3 12.289 17.323 -3.848 1.00 0.00 C ATOM 26 C HIS A 3 11.399 17.007 -5.045 1.00 0.00 C ATOM 27 O HIS A 3 10.730 17.886 -5.589 1.00 0.00 O ATOM 28 CB HIS A 3 12.726 18.794 -3.887 1.00 0.00 C ATOM 29 CG HIS A 3 13.363 19.279 -2.618 1.00 0.00 C ATOM 30 ND1 HIS A 3 12.815 20.272 -1.837 1.00 0.00 N ATOM 31 CD2 HIS A 3 14.512 18.914 -2.000 1.00 0.00 C ATOM 32 CE1 HIS A 3 13.595 20.496 -0.798 1.00 0.00 C ATOM 33 NE2 HIS A 3 14.629 19.685 -0.873 1.00 0.00 N ATOM 0 H HIS A 3 14.019 16.478 -4.677 1.00 0.00 H new ATOM 0 HA HIS A 3 11.723 17.159 -2.931 1.00 0.00 H new ATOM 0 HB2 HIS A 3 13.429 18.931 -4.709 1.00 0.00 H new ATOM 0 HB3 HIS A 3 11.856 19.414 -4.104 1.00 0.00 H new ATOM 0 HD2 HIS A 3 15.206 18.157 -2.333 1.00 0.00 H new ATOM 0 HE1 HIS A 3 13.416 21.221 -0.018 1.00 0.00 H new ATOM 0 HE2 HIS A 3 15.394 19.638 -0.200 1.00 0.00 H new ATOM 42 N MET A 4 11.403 15.746 -5.452 1.00 0.00 N ATOM 43 CA MET A 4 10.614 15.303 -6.597 1.00 0.00 C ATOM 44 C MET A 4 9.477 14.393 -6.162 1.00 0.00 C ATOM 45 O MET A 4 9.344 14.064 -4.983 1.00 0.00 O ATOM 46 CB MET A 4 11.495 14.552 -7.594 1.00 0.00 C ATOM 47 CG MET A 4 12.383 15.449 -8.434 1.00 0.00 C ATOM 48 SD MET A 4 13.522 14.510 -9.470 1.00 0.00 S ATOM 49 CE MET A 4 12.383 13.456 -10.367 1.00 0.00 C ATOM 0 H MET A 4 11.946 15.007 -5.005 1.00 0.00 H new ATOM 0 HA MET A 4 10.197 16.192 -7.070 1.00 0.00 H new ATOM 0 HB2 MET A 4 12.122 13.846 -7.049 1.00 0.00 H new ATOM 0 HB3 MET A 4 10.858 13.967 -8.257 1.00 0.00 H new ATOM 0 HG2 MET A 4 11.761 16.084 -9.065 1.00 0.00 H new ATOM 0 HG3 MET A 4 12.952 16.109 -7.779 1.00 0.00 H new ATOM 0 HE1 MET A 4 12.883 13.042 -11.243 1.00 0.00 H new ATOM 0 HE2 MET A 4 12.053 12.643 -9.720 1.00 0.00 H new ATOM 0 HE3 MET A 4 11.519 14.041 -10.684 1.00 0.00 H new ATOM 59 N SER A 5 8.666 13.987 -7.125 1.00 0.00 N ATOM 60 CA SER A 5 7.609 13.022 -6.887 1.00 0.00 C ATOM 61 C SER A 5 7.512 12.068 -8.069 1.00 0.00 C ATOM 62 O SER A 5 7.507 12.493 -9.224 1.00 0.00 O ATOM 63 CB SER A 5 6.274 13.733 -6.648 1.00 0.00 C ATOM 64 OG SER A 5 5.980 14.651 -7.688 1.00 0.00 O ATOM 0 H SER A 5 8.722 14.316 -8.089 1.00 0.00 H new ATOM 0 HA SER A 5 7.845 12.448 -5.991 1.00 0.00 H new ATOM 0 HB2 SER A 5 5.475 12.995 -6.576 1.00 0.00 H new ATOM 0 HB3 SER A 5 6.307 14.260 -5.695 1.00 0.00 H new ATOM 0 HG SER A 5 5.121 15.087 -7.507 1.00 0.00 H new ATOM 70 N VAL A 6 7.465 10.779 -7.779 1.00 0.00 N ATOM 71 CA VAL A 6 7.425 9.761 -8.815 1.00 0.00 C ATOM 72 C VAL A 6 6.272 8.799 -8.574 1.00 0.00 C ATOM 73 O VAL A 6 5.853 8.589 -7.438 1.00 0.00 O ATOM 74 CB VAL A 6 8.746 8.964 -8.877 1.00 0.00 C ATOM 75 CG1 VAL A 6 9.896 9.852 -9.321 1.00 0.00 C ATOM 76 CG2 VAL A 6 9.055 8.327 -7.530 1.00 0.00 C ATOM 0 H VAL A 6 7.454 10.411 -6.828 1.00 0.00 H new ATOM 0 HA VAL A 6 7.282 10.274 -9.766 1.00 0.00 H new ATOM 0 HB VAL A 6 8.624 8.170 -9.614 1.00 0.00 H new ATOM 0 HG11 VAL A 6 10.815 9.267 -9.356 1.00 0.00 H new ATOM 0 HG12 VAL A 6 9.684 10.254 -10.311 1.00 0.00 H new ATOM 0 HG13 VAL A 6 10.016 10.673 -8.614 1.00 0.00 H new ATOM 0 HG21 VAL A 6 9.990 7.770 -7.597 1.00 0.00 H new ATOM 0 HG22 VAL A 6 9.149 9.105 -6.773 1.00 0.00 H new ATOM 0 HG23 VAL A 6 8.248 7.648 -7.255 1.00 0.00 H new ATOM 86 N GLN A 7 5.765 8.215 -9.643 1.00 0.00 N ATOM 87 CA GLN A 7 4.667 7.270 -9.544 1.00 0.00 C ATOM 88 C GLN A 7 5.223 5.858 -9.443 1.00 0.00 C ATOM 89 O GLN A 7 6.177 5.509 -10.141 1.00 0.00 O ATOM 90 CB GLN A 7 3.714 7.399 -10.744 1.00 0.00 C ATOM 91 CG GLN A 7 4.266 6.883 -12.071 1.00 0.00 C ATOM 92 CD GLN A 7 5.459 7.669 -12.584 1.00 0.00 C ATOM 93 OE1 GLN A 7 5.306 8.674 -13.280 1.00 0.00 O ATOM 94 NE2 GLN A 7 6.657 7.213 -12.255 1.00 0.00 N ATOM 0 H GLN A 7 6.097 8.379 -10.594 1.00 0.00 H new ATOM 0 HA GLN A 7 4.091 7.492 -8.646 1.00 0.00 H new ATOM 0 HB2 GLN A 7 2.795 6.859 -10.517 1.00 0.00 H new ATOM 0 HB3 GLN A 7 3.446 8.449 -10.864 1.00 0.00 H new ATOM 0 HG2 GLN A 7 4.554 5.839 -11.953 1.00 0.00 H new ATOM 0 HG3 GLN A 7 3.474 6.912 -12.819 1.00 0.00 H new ATOM 0 HE21 GLN A 7 6.743 6.377 -11.677 1.00 0.00 H new ATOM 0 HE22 GLN A 7 7.494 7.697 -12.580 1.00 0.00 H new ATOM 103 N ILE A 8 4.659 5.057 -8.560 1.00 0.00 N ATOM 104 CA ILE A 8 5.151 3.708 -8.367 1.00 0.00 C ATOM 105 C ILE A 8 4.182 2.703 -8.976 1.00 0.00 C ATOM 106 O ILE A 8 2.995 2.701 -8.649 1.00 0.00 O ATOM 107 CB ILE A 8 5.354 3.368 -6.876 1.00 0.00 C ATOM 108 CG1 ILE A 8 5.916 4.567 -6.104 1.00 0.00 C ATOM 109 CG2 ILE A 8 6.289 2.173 -6.741 1.00 0.00 C ATOM 110 CD1 ILE A 8 7.250 5.063 -6.618 1.00 0.00 C ATOM 0 H ILE A 8 3.867 5.314 -7.970 1.00 0.00 H new ATOM 0 HA ILE A 8 6.119 3.650 -8.864 1.00 0.00 H new ATOM 0 HB ILE A 8 4.383 3.118 -6.448 1.00 0.00 H new ATOM 0 HG12 ILE A 8 5.195 5.384 -6.148 1.00 0.00 H new ATOM 0 HG13 ILE A 8 6.023 4.292 -5.055 1.00 0.00 H new ATOM 0 HG21 ILE A 8 6.429 1.938 -5.686 1.00 0.00 H new ATOM 0 HG22 ILE A 8 5.855 1.312 -7.251 1.00 0.00 H new ATOM 0 HG23 ILE A 8 7.253 2.413 -7.190 1.00 0.00 H new ATOM 0 HD11 ILE A 8 7.578 5.912 -6.018 1.00 0.00 H new ATOM 0 HD12 ILE A 8 7.987 4.263 -6.548 1.00 0.00 H new ATOM 0 HD13 ILE A 8 7.147 5.372 -7.658 1.00 0.00 H new ATOM 122 N PRO A 9 4.674 1.854 -9.884 1.00 0.00 N ATOM 123 CA PRO A 9 3.856 0.820 -10.513 1.00 0.00 C ATOM 124 C PRO A 9 3.485 -0.290 -9.536 1.00 0.00 C ATOM 125 O PRO A 9 4.316 -0.748 -8.747 1.00 0.00 O ATOM 126 CB PRO A 9 4.756 0.281 -11.626 1.00 0.00 C ATOM 127 CG PRO A 9 6.141 0.562 -11.162 1.00 0.00 C ATOM 128 CD PRO A 9 6.063 1.841 -10.378 1.00 0.00 C ATOM 0 HA PRO A 9 2.905 1.212 -10.874 1.00 0.00 H new ATOM 0 HB2 PRO A 9 4.599 -0.787 -11.780 1.00 0.00 H new ATOM 0 HB3 PRO A 9 4.549 0.774 -12.576 1.00 0.00 H new ATOM 0 HG2 PRO A 9 6.518 -0.252 -10.544 1.00 0.00 H new ATOM 0 HG3 PRO A 9 6.823 0.663 -12.007 1.00 0.00 H new ATOM 0 HD2 PRO A 9 6.781 1.854 -9.558 1.00 0.00 H new ATOM 0 HD3 PRO A 9 6.276 2.709 -11.002 1.00 0.00 H new ATOM 136 N VAL A 10 2.234 -0.712 -9.586 1.00 0.00 N ATOM 137 CA VAL A 10 1.751 -1.765 -8.713 1.00 0.00 C ATOM 138 C VAL A 10 1.374 -3.005 -9.519 1.00 0.00 C ATOM 139 O VAL A 10 0.729 -2.916 -10.566 1.00 0.00 O ATOM 140 CB VAL A 10 0.552 -1.290 -7.855 1.00 0.00 C ATOM 141 CG1 VAL A 10 -0.501 -0.602 -8.708 1.00 0.00 C ATOM 142 CG2 VAL A 10 -0.062 -2.450 -7.087 1.00 0.00 C ATOM 0 H VAL A 10 1.532 -0.339 -10.225 1.00 0.00 H new ATOM 0 HA VAL A 10 2.563 -2.025 -8.033 1.00 0.00 H new ATOM 0 HB VAL A 10 0.932 -0.564 -7.137 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -1.329 -0.281 -8.076 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -0.061 0.266 -9.199 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -0.869 -1.297 -9.462 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -0.902 -2.089 -6.493 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -0.413 -3.206 -7.789 1.00 0.00 H new ATOM 0 HG23 VAL A 10 0.688 -2.887 -6.428 1.00 0.00 H new ATOM 152 N VAL A 11 1.813 -4.155 -9.038 1.00 0.00 N ATOM 153 CA VAL A 11 1.559 -5.424 -9.697 1.00 0.00 C ATOM 154 C VAL A 11 0.247 -6.031 -9.209 1.00 0.00 C ATOM 155 O VAL A 11 -0.167 -5.789 -8.076 1.00 0.00 O ATOM 156 CB VAL A 11 2.699 -6.415 -9.406 1.00 0.00 C ATOM 157 CG1 VAL A 11 2.551 -7.003 -8.029 1.00 0.00 C ATOM 158 CG2 VAL A 11 2.777 -7.520 -10.435 1.00 0.00 C ATOM 0 H VAL A 11 2.356 -4.235 -8.178 1.00 0.00 H new ATOM 0 HA VAL A 11 1.497 -5.237 -10.769 1.00 0.00 H new ATOM 0 HB VAL A 11 3.630 -5.851 -9.460 1.00 0.00 H new ATOM 0 HG11 VAL A 11 3.367 -7.701 -7.842 1.00 0.00 H new ATOM 0 HG12 VAL A 11 2.580 -6.205 -7.287 1.00 0.00 H new ATOM 0 HG13 VAL A 11 1.599 -7.530 -7.959 1.00 0.00 H new ATOM 0 HG21 VAL A 11 3.597 -8.193 -10.185 1.00 0.00 H new ATOM 0 HG22 VAL A 11 1.840 -8.077 -10.442 1.00 0.00 H new ATOM 0 HG23 VAL A 11 2.950 -7.088 -11.421 1.00 0.00 H new ATOM 168 N GLU A 12 -0.429 -6.773 -10.065 1.00 0.00 N ATOM 169 CA GLU A 12 -1.562 -7.569 -9.631 1.00 0.00 C ATOM 170 C GLU A 12 -1.190 -9.044 -9.629 1.00 0.00 C ATOM 171 O GLU A 12 -1.261 -9.717 -10.659 1.00 0.00 O ATOM 172 CB GLU A 12 -2.771 -7.315 -10.521 1.00 0.00 C ATOM 173 CG GLU A 12 -3.329 -5.916 -10.369 1.00 0.00 C ATOM 174 CD GLU A 12 -4.472 -5.642 -11.320 1.00 0.00 C ATOM 175 OE1 GLU A 12 -4.213 -5.264 -12.478 1.00 0.00 O ATOM 176 OE2 GLU A 12 -5.639 -5.801 -10.914 1.00 0.00 O ATOM 0 H GLU A 12 -0.215 -6.842 -11.060 1.00 0.00 H new ATOM 0 HA GLU A 12 -1.828 -7.276 -8.615 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -2.491 -7.478 -11.562 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -3.550 -8.040 -10.283 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -3.672 -5.774 -9.344 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -2.534 -5.190 -10.543 1.00 0.00 H new ATOM 183 N VAL A 13 -0.777 -9.534 -8.469 1.00 0.00 N ATOM 184 CA VAL A 13 -0.348 -10.920 -8.331 1.00 0.00 C ATOM 185 C VAL A 13 -1.244 -11.691 -7.370 1.00 0.00 C ATOM 186 O VAL A 13 -2.242 -11.164 -6.873 1.00 0.00 O ATOM 187 CB VAL A 13 1.109 -11.005 -7.834 1.00 0.00 C ATOM 188 CG1 VAL A 13 2.073 -10.610 -8.937 1.00 0.00 C ATOM 189 CG2 VAL A 13 1.315 -10.127 -6.608 1.00 0.00 C ATOM 0 H VAL A 13 -0.730 -8.991 -7.607 1.00 0.00 H new ATOM 0 HA VAL A 13 -0.420 -11.370 -9.321 1.00 0.00 H new ATOM 0 HB VAL A 13 1.311 -12.038 -7.552 1.00 0.00 H new ATOM 0 HG11 VAL A 13 3.096 -10.676 -8.567 1.00 0.00 H new ATOM 0 HG12 VAL A 13 1.950 -11.282 -9.786 1.00 0.00 H new ATOM 0 HG13 VAL A 13 1.867 -9.587 -9.252 1.00 0.00 H new ATOM 0 HG21 VAL A 13 2.350 -10.203 -6.276 1.00 0.00 H new ATOM 0 HG22 VAL A 13 1.091 -9.091 -6.861 1.00 0.00 H new ATOM 0 HG23 VAL A 13 0.652 -10.457 -5.808 1.00 0.00 H new ATOM 199 N ASP A 14 -0.878 -12.943 -7.122 1.00 0.00 N ATOM 200 CA ASP A 14 -1.586 -13.790 -6.177 1.00 0.00 C ATOM 201 C ASP A 14 -0.772 -13.894 -4.896 1.00 0.00 C ATOM 202 O ASP A 14 -1.318 -14.036 -3.801 1.00 0.00 O ATOM 203 CB ASP A 14 -1.809 -15.181 -6.784 1.00 0.00 C ATOM 204 CG ASP A 14 -2.525 -16.133 -5.847 1.00 0.00 C ATOM 205 OD1 ASP A 14 -3.769 -16.095 -5.791 1.00 0.00 O ATOM 206 OD2 ASP A 14 -1.849 -16.940 -5.177 1.00 0.00 O ATOM 0 H ASP A 14 -0.083 -13.397 -7.571 1.00 0.00 H new ATOM 0 HA ASP A 14 -2.559 -13.355 -5.951 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -2.388 -15.081 -7.702 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -0.845 -15.609 -7.060 1.00 0.00 H new ATOM 211 N GLU A 15 0.543 -13.790 -5.059 1.00 0.00 N ATOM 212 CA GLU A 15 1.489 -13.848 -3.951 1.00 0.00 C ATOM 213 C GLU A 15 2.733 -13.055 -4.290 1.00 0.00 C ATOM 214 O GLU A 15 2.960 -12.703 -5.448 1.00 0.00 O ATOM 215 CB GLU A 15 1.901 -15.284 -3.648 1.00 0.00 C ATOM 216 CG GLU A 15 0.775 -16.139 -3.133 1.00 0.00 C ATOM 217 CD GLU A 15 1.215 -17.548 -2.798 1.00 0.00 C ATOM 218 OE1 GLU A 15 1.713 -17.773 -1.670 1.00 0.00 O ATOM 219 OE2 GLU A 15 1.070 -18.442 -3.653 1.00 0.00 O ATOM 0 H GLU A 15 0.985 -13.662 -5.970 1.00 0.00 H new ATOM 0 HA GLU A 15 0.995 -13.426 -3.076 1.00 0.00 H new ATOM 0 HB2 GLU A 15 2.304 -15.736 -4.554 1.00 0.00 H new ATOM 0 HB3 GLU A 15 2.705 -15.275 -2.912 1.00 0.00 H new ATOM 0 HG2 GLU A 15 0.350 -15.675 -2.243 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -0.017 -16.179 -3.881 1.00 0.00 H new ATOM 226 N LEU A 16 3.544 -12.794 -3.281 1.00 0.00 N ATOM 227 CA LEU A 16 4.792 -12.094 -3.477 1.00 0.00 C ATOM 228 C LEU A 16 5.875 -13.076 -3.905 1.00 0.00 C ATOM 229 O LEU A 16 5.807 -14.264 -3.581 1.00 0.00 O ATOM 230 CB LEU A 16 5.234 -11.378 -2.196 1.00 0.00 C ATOM 231 CG LEU A 16 4.233 -10.401 -1.571 1.00 0.00 C ATOM 232 CD1 LEU A 16 3.440 -9.664 -2.635 1.00 0.00 C ATOM 233 CD2 LEU A 16 3.313 -11.114 -0.603 1.00 0.00 C ATOM 0 H LEU A 16 3.356 -13.059 -2.314 1.00 0.00 H new ATOM 0 HA LEU A 16 4.639 -11.347 -4.256 1.00 0.00 H new ATOM 0 HB2 LEU A 16 5.480 -12.135 -1.451 1.00 0.00 H new ATOM 0 HB3 LEU A 16 6.152 -10.832 -2.411 1.00 0.00 H new ATOM 0 HG LEU A 16 4.801 -9.658 -1.011 1.00 0.00 H new ATOM 0 HD11 LEU A 16 2.739 -8.979 -2.157 1.00 0.00 H new ATOM 0 HD12 LEU A 16 4.122 -9.100 -3.272 1.00 0.00 H new ATOM 0 HD13 LEU A 16 2.889 -10.383 -3.241 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.612 -10.398 -0.173 1.00 0.00 H new ATOM 0 HD22 LEU A 16 2.760 -11.891 -1.131 1.00 0.00 H new ATOM 0 HD23 LEU A 16 3.903 -11.567 0.193 1.00 0.00 H new ATOM 245 N PRO A 17 6.862 -12.592 -4.669 1.00 0.00 N ATOM 246 CA PRO A 17 8.032 -13.380 -5.078 1.00 0.00 C ATOM 247 C PRO A 17 8.773 -14.024 -3.910 1.00 0.00 C ATOM 248 O PRO A 17 8.552 -13.693 -2.742 1.00 0.00 O ATOM 249 CB PRO A 17 8.940 -12.346 -5.737 1.00 0.00 C ATOM 250 CG PRO A 17 8.024 -11.278 -6.215 1.00 0.00 C ATOM 251 CD PRO A 17 6.893 -11.231 -5.228 1.00 0.00 C ATOM 0 HA PRO A 17 7.734 -14.210 -5.719 1.00 0.00 H new ATOM 0 HB2 PRO A 17 9.669 -11.953 -5.029 1.00 0.00 H new ATOM 0 HB3 PRO A 17 9.501 -12.783 -6.563 1.00 0.00 H new ATOM 0 HG2 PRO A 17 8.537 -10.318 -6.266 1.00 0.00 H new ATOM 0 HG3 PRO A 17 7.658 -11.498 -7.218 1.00 0.00 H new ATOM 0 HD2 PRO A 17 7.068 -10.484 -4.454 1.00 0.00 H new ATOM 0 HD3 PRO A 17 5.950 -10.975 -5.711 1.00 0.00 H new ATOM 259 N GLU A 18 9.668 -14.942 -4.247 1.00 0.00 N ATOM 260 CA GLU A 18 10.486 -15.624 -3.261 1.00 0.00 C ATOM 261 C GLU A 18 11.389 -14.638 -2.540 1.00 0.00 C ATOM 262 O GLU A 18 12.082 -13.835 -3.169 1.00 0.00 O ATOM 263 CB GLU A 18 11.328 -16.718 -3.916 1.00 0.00 C ATOM 264 CG GLU A 18 10.501 -17.791 -4.600 1.00 0.00 C ATOM 265 CD GLU A 18 9.944 -17.350 -5.939 1.00 0.00 C ATOM 266 OE1 GLU A 18 10.692 -17.376 -6.938 1.00 0.00 O ATOM 267 OE2 GLU A 18 8.759 -16.960 -5.996 1.00 0.00 O ATOM 0 H GLU A 18 9.845 -15.232 -5.209 1.00 0.00 H new ATOM 0 HA GLU A 18 9.818 -16.087 -2.534 1.00 0.00 H new ATOM 0 HB2 GLU A 18 11.995 -16.263 -4.648 1.00 0.00 H new ATOM 0 HB3 GLU A 18 11.957 -17.184 -3.158 1.00 0.00 H new ATOM 0 HG2 GLU A 18 11.117 -18.679 -4.744 1.00 0.00 H new ATOM 0 HG3 GLU A 18 9.677 -18.077 -3.947 1.00 0.00 H new ATOM 274 N GLY A 19 11.371 -14.710 -1.222 1.00 0.00 N ATOM 275 CA GLY A 19 12.142 -13.789 -0.414 1.00 0.00 C ATOM 276 C GLY A 19 11.258 -12.778 0.284 1.00 0.00 C ATOM 277 O GLY A 19 11.710 -12.027 1.149 1.00 0.00 O ATOM 0 H GLY A 19 10.832 -15.395 -0.691 1.00 0.00 H new ATOM 0 HA2 GLY A 19 12.713 -14.347 0.329 1.00 0.00 H new ATOM 0 HA3 GLY A 19 12.863 -13.268 -1.044 1.00 0.00 H new ATOM 281 N TYR A 20 9.990 -12.759 -0.097 1.00 0.00 N ATOM 282 CA TYR A 20 9.028 -11.850 0.502 1.00 0.00 C ATOM 283 C TYR A 20 8.279 -12.506 1.647 1.00 0.00 C ATOM 284 O TYR A 20 8.284 -13.728 1.805 1.00 0.00 O ATOM 285 CB TYR A 20 8.015 -11.373 -0.532 1.00 0.00 C ATOM 286 CG TYR A 20 8.520 -10.287 -1.450 1.00 0.00 C ATOM 287 CD1 TYR A 20 8.386 -8.949 -1.105 1.00 0.00 C ATOM 288 CD2 TYR A 20 9.113 -10.596 -2.662 1.00 0.00 C ATOM 289 CE1 TYR A 20 8.835 -7.949 -1.944 1.00 0.00 C ATOM 290 CE2 TYR A 20 9.562 -9.606 -3.507 1.00 0.00 C ATOM 291 CZ TYR A 20 9.423 -8.285 -3.145 1.00 0.00 C ATOM 292 OH TYR A 20 9.882 -7.297 -3.986 1.00 0.00 O ATOM 0 H TYR A 20 9.603 -13.365 -0.821 1.00 0.00 H new ATOM 0 HA TYR A 20 9.594 -11.001 0.885 1.00 0.00 H new ATOM 0 HB2 TYR A 20 7.703 -12.225 -1.136 1.00 0.00 H new ATOM 0 HB3 TYR A 20 7.129 -11.009 -0.012 1.00 0.00 H new ATOM 0 HD1 TYR A 20 7.923 -8.686 -0.165 1.00 0.00 H new ATOM 0 HD2 TYR A 20 9.225 -11.631 -2.950 1.00 0.00 H new ATOM 0 HE1 TYR A 20 8.727 -6.912 -1.662 1.00 0.00 H new ATOM 0 HE2 TYR A 20 10.021 -9.865 -4.450 1.00 0.00 H new ATOM 0 HH TYR A 20 9.121 -6.806 -4.360 1.00 0.00 H new ATOM 302 N ASP A 21 7.641 -11.668 2.440 1.00 0.00 N ATOM 303 CA ASP A 21 6.787 -12.109 3.526 1.00 0.00 C ATOM 304 C ASP A 21 5.328 -11.955 3.116 1.00 0.00 C ATOM 305 O ASP A 21 5.016 -11.151 2.239 1.00 0.00 O ATOM 306 CB ASP A 21 7.079 -11.277 4.784 1.00 0.00 C ATOM 307 CG ASP A 21 6.132 -11.578 5.929 1.00 0.00 C ATOM 308 OD1 ASP A 21 6.307 -12.623 6.596 1.00 0.00 O ATOM 309 OD2 ASP A 21 5.212 -10.771 6.176 1.00 0.00 O ATOM 0 H ASP A 21 7.701 -10.654 2.348 1.00 0.00 H new ATOM 0 HA ASP A 21 6.985 -13.158 3.747 1.00 0.00 H new ATOM 0 HB2 ASP A 21 8.103 -11.466 5.108 1.00 0.00 H new ATOM 0 HB3 ASP A 21 7.014 -10.218 4.535 1.00 0.00 H new ATOM 314 N ARG A 22 4.449 -12.752 3.697 1.00 0.00 N ATOM 315 CA ARG A 22 3.023 -12.558 3.515 1.00 0.00 C ATOM 316 C ARG A 22 2.282 -12.919 4.790 1.00 0.00 C ATOM 317 O ARG A 22 2.606 -13.916 5.435 1.00 0.00 O ATOM 318 CB ARG A 22 2.481 -13.370 2.335 1.00 0.00 C ATOM 319 CG ARG A 22 0.990 -13.160 2.128 1.00 0.00 C ATOM 320 CD ARG A 22 0.556 -13.431 0.698 1.00 0.00 C ATOM 321 NE ARG A 22 0.600 -14.848 0.350 1.00 0.00 N ATOM 322 CZ ARG A 22 -0.457 -15.660 0.410 1.00 0.00 C ATOM 323 NH1 ARG A 22 -1.611 -15.222 0.901 1.00 0.00 N ATOM 324 NH2 ARG A 22 -0.360 -16.912 -0.015 1.00 0.00 N ATOM 0 H ARG A 22 4.698 -13.538 4.298 1.00 0.00 H new ATOM 0 HA ARG A 22 2.858 -11.505 3.288 1.00 0.00 H new ATOM 0 HB2 ARG A 22 3.015 -13.089 1.427 1.00 0.00 H new ATOM 0 HB3 ARG A 22 2.677 -14.429 2.505 1.00 0.00 H new ATOM 0 HG2 ARG A 22 0.437 -13.815 2.802 1.00 0.00 H new ATOM 0 HG3 ARG A 22 0.730 -12.136 2.395 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -0.458 -13.058 0.555 1.00 0.00 H new ATOM 0 HD3 ARG A 22 1.200 -12.875 0.017 1.00 0.00 H new ATOM 0 HE ARG A 22 1.490 -15.240 0.043 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -1.692 -14.261 1.234 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -2.416 -15.846 0.945 1.00 0.00 H new ATOM 0 HH21 ARG A 22 0.524 -17.257 -0.389 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -1.170 -17.531 0.032 1.00 0.00 H new ATOM 338 N SER A 23 1.285 -12.105 5.131 1.00 0.00 N ATOM 339 CA SER A 23 0.529 -12.260 6.360 1.00 0.00 C ATOM 340 C SER A 23 1.460 -12.227 7.576 1.00 0.00 C ATOM 341 O SER A 23 1.841 -11.110 7.993 1.00 0.00 O ATOM 342 CB SER A 23 -0.282 -13.552 6.313 1.00 0.00 C ATOM 343 OG SER A 23 -1.045 -13.628 5.115 1.00 0.00 O ATOM 344 OXT SER A 23 1.818 -13.302 8.100 1.00 0.00 O ATOM 0 H SER A 23 0.982 -11.318 4.557 1.00 0.00 H new ATOM 0 HA SER A 23 -0.165 -11.425 6.457 1.00 0.00 H new ATOM 0 HB2 SER A 23 0.388 -14.409 6.377 1.00 0.00 H new ATOM 0 HB3 SER A 23 -0.946 -13.601 7.176 1.00 0.00 H new ATOM 0 HG SER A 23 -1.556 -14.464 5.105 1.00 0.00 H new TER 350 SER A 23 ATOM 351 N PRO B 24 -27.505 15.483 1.092 1.00 0.00 N ATOM 352 CA PRO B 24 -26.947 15.654 2.450 1.00 0.00 C ATOM 353 C PRO B 24 -25.703 14.797 2.621 1.00 0.00 C ATOM 354 O PRO B 24 -25.655 13.665 2.143 1.00 0.00 O ATOM 355 CB PRO B 24 -28.003 15.253 3.469 1.00 0.00 C ATOM 356 CG PRO B 24 -29.113 14.713 2.637 1.00 0.00 C ATOM 357 CD PRO B 24 -28.959 15.333 1.267 1.00 0.00 C ATOM 0 HA PRO B 24 -26.667 16.697 2.601 1.00 0.00 H new ATOM 0 HB2 PRO B 24 -27.624 14.504 4.164 1.00 0.00 H new ATOM 0 HB3 PRO B 24 -28.328 16.106 4.065 1.00 0.00 H new ATOM 0 HG2 PRO B 24 -29.062 13.626 2.579 1.00 0.00 H new ATOM 0 HG3 PRO B 24 -30.081 14.964 3.070 1.00 0.00 H new ATOM 0 HD2 PRO B 24 -29.388 14.697 0.493 1.00 0.00 H new ATOM 0 HD3 PRO B 24 -29.467 16.295 1.207 1.00 0.00 H new ATOM 367 N HIS B 25 -24.693 15.338 3.288 1.00 0.00 N ATOM 368 CA HIS B 25 -23.469 14.592 3.530 1.00 0.00 C ATOM 369 C HIS B 25 -23.644 13.670 4.729 1.00 0.00 C ATOM 370 O HIS B 25 -23.973 14.113 5.835 1.00 0.00 O ATOM 371 CB HIS B 25 -22.257 15.526 3.720 1.00 0.00 C ATOM 372 CG HIS B 25 -22.281 16.373 4.962 1.00 0.00 C ATOM 373 ND1 HIS B 25 -21.557 16.066 6.093 1.00 0.00 N ATOM 374 CD2 HIS B 25 -22.926 17.533 5.235 1.00 0.00 C ATOM 375 CE1 HIS B 25 -21.756 16.996 7.007 1.00 0.00 C ATOM 376 NE2 HIS B 25 -22.582 17.898 6.511 1.00 0.00 N ATOM 0 H HIS B 25 -24.697 16.284 3.668 1.00 0.00 H new ATOM 0 HA HIS B 25 -23.267 13.984 2.648 1.00 0.00 H new ATOM 0 HB2 HIS B 25 -21.351 14.919 3.732 1.00 0.00 H new ATOM 0 HB3 HIS B 25 -22.188 16.184 2.854 1.00 0.00 H new ATOM 0 HD2 HIS B 25 -23.588 18.070 4.571 1.00 0.00 H new ATOM 0 HE1 HIS B 25 -21.317 17.016 7.994 1.00 0.00 H new ATOM 0 HE2 HIS B 25 -22.911 18.732 6.998 1.00 0.00 H new ATOM 385 N GLU B 26 -23.453 12.387 4.492 1.00 0.00 N ATOM 386 CA GLU B 26 -23.581 11.384 5.531 1.00 0.00 C ATOM 387 C GLU B 26 -22.464 10.360 5.386 1.00 0.00 C ATOM 388 O GLU B 26 -21.498 10.600 4.657 1.00 0.00 O ATOM 389 CB GLU B 26 -24.951 10.707 5.444 1.00 0.00 C ATOM 390 CG GLU B 26 -25.200 9.986 4.127 1.00 0.00 C ATOM 391 CD GLU B 26 -26.576 9.359 4.057 1.00 0.00 C ATOM 392 OE1 GLU B 26 -26.769 8.262 4.625 1.00 0.00 O ATOM 393 OE2 GLU B 26 -27.475 9.960 3.434 1.00 0.00 O ATOM 0 H GLU B 26 -23.205 12.011 3.577 1.00 0.00 H new ATOM 0 HA GLU B 26 -23.499 11.860 6.508 1.00 0.00 H new ATOM 0 HB2 GLU B 26 -25.045 9.992 6.262 1.00 0.00 H new ATOM 0 HB3 GLU B 26 -25.727 11.459 5.588 1.00 0.00 H new ATOM 0 HG2 GLU B 26 -25.084 10.691 3.304 1.00 0.00 H new ATOM 0 HG3 GLU B 26 -24.445 9.212 3.993 1.00 0.00 H new ATOM 400 N GLN B 27 -22.582 9.234 6.070 1.00 0.00 N ATOM 401 CA GLN B 27 -21.590 8.178 5.950 1.00 0.00 C ATOM 402 C GLN B 27 -21.898 7.299 4.751 1.00 0.00 C ATOM 403 O GLN B 27 -23.061 7.022 4.451 1.00 0.00 O ATOM 404 CB GLN B 27 -21.535 7.328 7.217 1.00 0.00 C ATOM 405 CG GLN B 27 -21.049 8.094 8.432 1.00 0.00 C ATOM 406 CD GLN B 27 -20.877 7.217 9.658 1.00 0.00 C ATOM 407 OE1 GLN B 27 -21.579 6.219 9.833 1.00 0.00 O ATOM 408 NE2 GLN B 27 -19.938 7.582 10.515 1.00 0.00 N ATOM 0 H GLN B 27 -23.349 9.028 6.710 1.00 0.00 H new ATOM 0 HA GLN B 27 -20.616 8.647 5.809 1.00 0.00 H new ATOM 0 HB2 GLN B 27 -22.528 6.928 7.421 1.00 0.00 H new ATOM 0 HB3 GLN B 27 -20.877 6.476 7.046 1.00 0.00 H new ATOM 0 HG2 GLN B 27 -20.097 8.571 8.197 1.00 0.00 H new ATOM 0 HG3 GLN B 27 -21.757 8.891 8.659 1.00 0.00 H new ATOM 0 HE21 GLN B 27 -19.378 8.415 10.334 1.00 0.00 H new ATOM 0 HE22 GLN B 27 -19.774 7.030 11.357 1.00 0.00 H new ATOM 417 N GLN B 28 -20.857 6.866 4.066 1.00 0.00 N ATOM 418 CA GLN B 28 -21.026 6.014 2.901 1.00 0.00 C ATOM 419 C GLN B 28 -20.985 4.555 3.310 1.00 0.00 C ATOM 420 O GLN B 28 -20.376 4.199 4.317 1.00 0.00 O ATOM 421 CB GLN B 28 -19.955 6.271 1.839 1.00 0.00 C ATOM 422 CG GLN B 28 -20.186 7.507 0.978 1.00 0.00 C ATOM 423 CD GLN B 28 -20.081 8.805 1.750 1.00 0.00 C ATOM 424 OE1 GLN B 28 -19.000 9.376 1.881 1.00 0.00 O ATOM 425 NE2 GLN B 28 -21.205 9.293 2.245 1.00 0.00 N ATOM 0 H GLN B 28 -19.888 7.088 4.294 1.00 0.00 H new ATOM 0 HA GLN B 28 -21.997 6.254 2.467 1.00 0.00 H new ATOM 0 HB2 GLN B 28 -18.989 6.367 2.335 1.00 0.00 H new ATOM 0 HB3 GLN B 28 -19.894 5.399 1.188 1.00 0.00 H new ATOM 0 HG2 GLN B 28 -19.459 7.516 0.166 1.00 0.00 H new ATOM 0 HG3 GLN B 28 -21.174 7.443 0.521 1.00 0.00 H new ATOM 0 HE21 GLN B 28 -22.081 8.788 2.114 1.00 0.00 H new ATOM 0 HE22 GLN B 28 -21.196 10.175 2.758 1.00 0.00 H new ATOM 434 N GLU B 29 -21.639 3.721 2.522 1.00 0.00 N ATOM 435 CA GLU B 29 -21.687 2.291 2.788 1.00 0.00 C ATOM 436 C GLU B 29 -20.914 1.531 1.719 1.00 0.00 C ATOM 437 O GLU B 29 -20.568 0.362 1.893 1.00 0.00 O ATOM 438 CB GLU B 29 -23.139 1.812 2.835 1.00 0.00 C ATOM 439 CG GLU B 29 -23.919 2.115 1.568 1.00 0.00 C ATOM 440 CD GLU B 29 -25.353 1.643 1.640 1.00 0.00 C ATOM 441 OE1 GLU B 29 -25.617 0.474 1.283 1.00 0.00 O ATOM 442 OE2 GLU B 29 -26.224 2.437 2.050 1.00 0.00 O ATOM 0 H GLU B 29 -22.148 4.010 1.687 1.00 0.00 H new ATOM 0 HA GLU B 29 -21.224 2.098 3.756 1.00 0.00 H new ATOM 0 HB2 GLU B 29 -23.153 0.737 3.012 1.00 0.00 H new ATOM 0 HB3 GLU B 29 -23.641 2.281 3.682 1.00 0.00 H new ATOM 0 HG2 GLU B 29 -23.903 3.189 1.384 1.00 0.00 H new ATOM 0 HG3 GLU B 29 -23.426 1.639 0.720 1.00 0.00 H new ATOM 449 N ASP B 30 -20.661 2.212 0.611 1.00 0.00 N ATOM 450 CA ASP B 30 -19.905 1.645 -0.493 1.00 0.00 C ATOM 451 C ASP B 30 -18.466 2.135 -0.463 1.00 0.00 C ATOM 452 O ASP B 30 -17.654 1.777 -1.319 1.00 0.00 O ATOM 453 CB ASP B 30 -20.557 2.017 -1.824 1.00 0.00 C ATOM 454 CG ASP B 30 -20.624 3.515 -2.047 1.00 0.00 C ATOM 455 OD1 ASP B 30 -21.297 4.206 -1.252 1.00 0.00 O ATOM 456 OD2 ASP B 30 -20.015 4.011 -3.018 1.00 0.00 O ATOM 0 H ASP B 30 -20.973 3.170 0.453 1.00 0.00 H new ATOM 0 HA ASP B 30 -19.904 0.560 -0.389 1.00 0.00 H new ATOM 0 HB2 ASP B 30 -19.997 1.558 -2.639 1.00 0.00 H new ATOM 0 HB3 ASP B 30 -21.565 1.604 -1.858 1.00 0.00 H new ATOM 461 N VAL B 31 -18.161 2.970 0.520 1.00 0.00 N ATOM 462 CA VAL B 31 -16.815 3.464 0.704 1.00 0.00 C ATOM 463 C VAL B 31 -15.908 2.337 1.189 1.00 0.00 C ATOM 464 O VAL B 31 -16.203 1.658 2.174 1.00 0.00 O ATOM 465 CB VAL B 31 -16.762 4.656 1.693 1.00 0.00 C ATOM 466 CG1 VAL B 31 -17.292 4.267 3.066 1.00 0.00 C ATOM 467 CG2 VAL B 31 -15.347 5.201 1.799 1.00 0.00 C ATOM 0 H VAL B 31 -18.835 3.318 1.202 1.00 0.00 H new ATOM 0 HA VAL B 31 -16.463 3.827 -0.262 1.00 0.00 H new ATOM 0 HB VAL B 31 -17.408 5.441 1.300 1.00 0.00 H new ATOM 0 HG11 VAL B 31 -17.240 5.127 3.733 1.00 0.00 H new ATOM 0 HG12 VAL B 31 -18.328 3.939 2.977 1.00 0.00 H new ATOM 0 HG13 VAL B 31 -16.689 3.455 3.472 1.00 0.00 H new ATOM 0 HG21 VAL B 31 -15.331 6.037 2.498 1.00 0.00 H new ATOM 0 HG22 VAL B 31 -14.681 4.416 2.157 1.00 0.00 H new ATOM 0 HG23 VAL B 31 -15.014 5.541 0.819 1.00 0.00 H new ATOM 477 N PRO B 32 -14.819 2.094 0.464 1.00 0.00 N ATOM 478 CA PRO B 32 -13.848 1.074 0.830 1.00 0.00 C ATOM 479 C PRO B 32 -13.172 1.391 2.158 1.00 0.00 C ATOM 480 O PRO B 32 -12.656 2.490 2.362 1.00 0.00 O ATOM 481 CB PRO B 32 -12.829 1.114 -0.316 1.00 0.00 C ATOM 482 CG PRO B 32 -13.016 2.445 -0.962 1.00 0.00 C ATOM 483 CD PRO B 32 -14.463 2.795 -0.773 1.00 0.00 C ATOM 0 HA PRO B 32 -14.309 0.095 0.963 1.00 0.00 H new ATOM 0 HB2 PRO B 32 -11.812 0.998 0.058 1.00 0.00 H new ATOM 0 HB3 PRO B 32 -13.003 0.305 -1.025 1.00 0.00 H new ATOM 0 HG2 PRO B 32 -12.370 3.195 -0.505 1.00 0.00 H new ATOM 0 HG3 PRO B 32 -12.759 2.405 -2.021 1.00 0.00 H new ATOM 0 HD2 PRO B 32 -14.608 3.871 -0.682 1.00 0.00 H new ATOM 0 HD3 PRO B 32 -15.071 2.462 -1.614 1.00 0.00 H new ATOM 491 N GLU B 33 -13.172 0.421 3.057 1.00 0.00 N ATOM 492 CA GLU B 33 -12.534 0.581 4.345 1.00 0.00 C ATOM 493 C GLU B 33 -11.244 -0.210 4.369 1.00 0.00 C ATOM 494 O GLU B 33 -11.243 -1.433 4.500 1.00 0.00 O ATOM 495 CB GLU B 33 -13.463 0.140 5.482 1.00 0.00 C ATOM 496 CG GLU B 33 -12.826 0.251 6.860 1.00 0.00 C ATOM 497 CD GLU B 33 -13.820 0.078 7.993 1.00 0.00 C ATOM 498 OE1 GLU B 33 -14.487 1.070 8.356 1.00 0.00 O ATOM 499 OE2 GLU B 33 -13.928 -1.041 8.540 1.00 0.00 O ATOM 0 H GLU B 33 -13.610 -0.489 2.914 1.00 0.00 H new ATOM 0 HA GLU B 33 -12.311 1.637 4.498 1.00 0.00 H new ATOM 0 HB2 GLU B 33 -14.368 0.747 5.458 1.00 0.00 H new ATOM 0 HB3 GLU B 33 -13.768 -0.893 5.313 1.00 0.00 H new ATOM 0 HG2 GLU B 33 -12.044 -0.502 6.953 1.00 0.00 H new ATOM 0 HG3 GLU B 33 -12.344 1.224 6.953 1.00 0.00 H new ATOM 506 N TYR B 34 -10.150 0.486 4.178 1.00 0.00 N ATOM 507 CA TYR B 34 -8.846 -0.141 4.195 1.00 0.00 C ATOM 508 C TYR B 34 -8.318 -0.245 5.612 1.00 0.00 C ATOM 509 O TYR B 34 -8.578 0.618 6.451 1.00 0.00 O ATOM 510 CB TYR B 34 -7.863 0.641 3.336 1.00 0.00 C ATOM 511 CG TYR B 34 -8.183 0.621 1.860 1.00 0.00 C ATOM 512 CD1 TYR B 34 -7.882 -0.489 1.085 1.00 0.00 C ATOM 513 CD2 TYR B 34 -8.781 1.711 1.242 1.00 0.00 C ATOM 514 CE1 TYR B 34 -8.166 -0.516 -0.265 1.00 0.00 C ATOM 515 CE2 TYR B 34 -9.070 1.694 -0.108 1.00 0.00 C ATOM 516 CZ TYR B 34 -8.761 0.579 -0.858 1.00 0.00 C ATOM 517 OH TYR B 34 -9.049 0.561 -2.204 1.00 0.00 O ATOM 0 H TYR B 34 -10.134 1.492 4.008 1.00 0.00 H new ATOM 0 HA TYR B 34 -8.952 -1.145 3.785 1.00 0.00 H new ATOM 0 HB2 TYR B 34 -7.841 1.676 3.678 1.00 0.00 H new ATOM 0 HB3 TYR B 34 -6.863 0.234 3.486 1.00 0.00 H new ATOM 0 HD1 TYR B 34 -7.417 -1.348 1.546 1.00 0.00 H new ATOM 0 HD2 TYR B 34 -9.024 2.586 1.827 1.00 0.00 H new ATOM 0 HE1 TYR B 34 -7.924 -1.388 -0.854 1.00 0.00 H new ATOM 0 HE2 TYR B 34 -9.536 2.550 -0.574 1.00 0.00 H new ATOM 0 HH TYR B 34 -8.330 0.102 -2.686 1.00 0.00 H new ATOM 527 N GLU B 35 -7.585 -1.308 5.873 1.00 0.00 N ATOM 528 CA GLU B 35 -6.954 -1.505 7.158 1.00 0.00 C ATOM 529 C GLU B 35 -5.449 -1.574 6.956 1.00 0.00 C ATOM 530 O GLU B 35 -4.932 -2.536 6.387 1.00 0.00 O ATOM 531 CB GLU B 35 -7.478 -2.782 7.813 1.00 0.00 C ATOM 532 CG GLU B 35 -7.169 -2.877 9.297 1.00 0.00 C ATOM 533 CD GLU B 35 -7.718 -4.140 9.927 1.00 0.00 C ATOM 534 OE1 GLU B 35 -8.895 -4.138 10.345 1.00 0.00 O ATOM 535 OE2 GLU B 35 -6.979 -5.142 10.011 1.00 0.00 O ATOM 0 H GLU B 35 -7.411 -2.056 5.202 1.00 0.00 H new ATOM 0 HA GLU B 35 -7.189 -0.673 7.821 1.00 0.00 H new ATOM 0 HB2 GLU B 35 -8.557 -2.836 7.671 1.00 0.00 H new ATOM 0 HB3 GLU B 35 -7.046 -3.644 7.305 1.00 0.00 H new ATOM 0 HG2 GLU B 35 -6.089 -2.843 9.442 1.00 0.00 H new ATOM 0 HG3 GLU B 35 -7.587 -2.009 9.808 1.00 0.00 H new ATOM 542 N VAL B 36 -4.763 -0.531 7.388 1.00 0.00 N ATOM 543 CA VAL B 36 -3.333 -0.403 7.172 1.00 0.00 C ATOM 544 C VAL B 36 -2.539 -0.868 8.392 1.00 0.00 C ATOM 545 O VAL B 36 -2.904 -0.585 9.536 1.00 0.00 O ATOM 546 CB VAL B 36 -2.960 1.056 6.812 1.00 0.00 C ATOM 547 CG1 VAL B 36 -3.602 2.040 7.779 1.00 0.00 C ATOM 548 CG2 VAL B 36 -1.450 1.245 6.781 1.00 0.00 C ATOM 0 H VAL B 36 -5.180 0.249 7.897 1.00 0.00 H new ATOM 0 HA VAL B 36 -3.070 -1.048 6.334 1.00 0.00 H new ATOM 0 HB VAL B 36 -3.348 1.258 5.814 1.00 0.00 H new ATOM 0 HG11 VAL B 36 -3.323 3.057 7.502 1.00 0.00 H new ATOM 0 HG12 VAL B 36 -4.686 1.937 7.736 1.00 0.00 H new ATOM 0 HG13 VAL B 36 -3.257 1.832 8.792 1.00 0.00 H new ATOM 0 HG21 VAL B 36 -1.218 2.279 6.526 1.00 0.00 H new ATOM 0 HG22 VAL B 36 -1.034 1.011 7.761 1.00 0.00 H new ATOM 0 HG23 VAL B 36 -1.015 0.580 6.034 1.00 0.00 H new ATOM 558 N LYS B 37 -1.470 -1.607 8.133 1.00 0.00 N ATOM 559 CA LYS B 37 -0.583 -2.098 9.174 1.00 0.00 C ATOM 560 C LYS B 37 0.843 -1.727 8.808 1.00 0.00 C ATOM 561 O LYS B 37 1.191 -1.697 7.629 1.00 0.00 O ATOM 562 CB LYS B 37 -0.680 -3.625 9.330 1.00 0.00 C ATOM 563 CG LYS B 37 -2.082 -4.164 9.597 1.00 0.00 C ATOM 564 CD LYS B 37 -2.921 -4.221 8.330 1.00 0.00 C ATOM 565 CE LYS B 37 -4.282 -4.841 8.585 1.00 0.00 C ATOM 566 NZ LYS B 37 -4.186 -6.255 9.029 1.00 0.00 N ATOM 0 H LYS B 37 -1.194 -1.883 7.191 1.00 0.00 H new ATOM 0 HA LYS B 37 -0.877 -1.644 10.120 1.00 0.00 H new ATOM 0 HB2 LYS B 37 -0.296 -4.092 8.423 1.00 0.00 H new ATOM 0 HB3 LYS B 37 -0.028 -3.933 10.148 1.00 0.00 H new ATOM 0 HG2 LYS B 37 -2.010 -5.162 10.030 1.00 0.00 H new ATOM 0 HG3 LYS B 37 -2.579 -3.532 10.333 1.00 0.00 H new ATOM 0 HD2 LYS B 37 -3.049 -3.214 7.933 1.00 0.00 H new ATOM 0 HD3 LYS B 37 -2.394 -4.799 7.571 1.00 0.00 H new ATOM 0 HE2 LYS B 37 -4.807 -4.260 9.343 1.00 0.00 H new ATOM 0 HE3 LYS B 37 -4.878 -4.789 7.674 1.00 0.00 H new ATOM 0 HZ1 LYS B 37 -4.771 -6.853 8.411 1.00 0.00 H new ATOM 0 HZ2 LYS B 37 -3.196 -6.568 8.978 1.00 0.00 H new ATOM 0 HZ3 LYS B 37 -4.525 -6.335 10.009 1.00 0.00 H new ATOM 580 N MET B 38 1.662 -1.445 9.801 1.00 0.00 N ATOM 581 CA MET B 38 3.043 -1.071 9.550 1.00 0.00 C ATOM 582 C MET B 38 3.976 -1.968 10.348 1.00 0.00 C ATOM 583 O MET B 38 3.663 -2.349 11.476 1.00 0.00 O ATOM 584 CB MET B 38 3.275 0.390 9.915 1.00 0.00 C ATOM 585 CG MET B 38 4.314 1.054 9.039 1.00 0.00 C ATOM 586 SD MET B 38 4.318 2.846 9.187 1.00 0.00 S ATOM 587 CE MET B 38 4.653 3.280 7.485 1.00 0.00 C ATOM 0 H MET B 38 1.399 -1.467 10.786 1.00 0.00 H new ATOM 0 HA MET B 38 3.252 -1.197 8.488 1.00 0.00 H new ATOM 0 HB2 MET B 38 2.334 0.934 9.832 1.00 0.00 H new ATOM 0 HB3 MET B 38 3.590 0.454 10.957 1.00 0.00 H new ATOM 0 HG2 MET B 38 5.300 0.671 9.301 1.00 0.00 H new ATOM 0 HG3 MET B 38 4.132 0.781 7.999 1.00 0.00 H new ATOM 0 HE1 MET B 38 5.121 4.264 7.446 1.00 0.00 H new ATOM 0 HE2 MET B 38 5.324 2.541 7.046 1.00 0.00 H new ATOM 0 HE3 MET B 38 3.719 3.300 6.924 1.00 0.00 H new ATOM 597 N LYS B 39 5.113 -2.316 9.764 1.00 0.00 N ATOM 598 CA LYS B 39 6.044 -3.231 10.412 1.00 0.00 C ATOM 599 C LYS B 39 7.472 -2.863 10.037 1.00 0.00 C ATOM 600 O LYS B 39 7.750 -2.536 8.888 1.00 0.00 O ATOM 601 CB LYS B 39 5.725 -4.674 9.994 1.00 0.00 C ATOM 602 CG LYS B 39 6.063 -5.730 11.041 1.00 0.00 C ATOM 603 CD LYS B 39 7.551 -6.035 11.093 1.00 0.00 C ATOM 604 CE LYS B 39 7.866 -7.131 12.098 1.00 0.00 C ATOM 605 NZ LYS B 39 7.564 -6.716 13.492 1.00 0.00 N ATOM 0 H LYS B 39 5.413 -1.982 8.848 1.00 0.00 H new ATOM 0 HA LYS B 39 5.941 -3.153 11.494 1.00 0.00 H new ATOM 0 HB2 LYS B 39 4.663 -4.743 9.758 1.00 0.00 H new ATOM 0 HB3 LYS B 39 6.271 -4.902 9.078 1.00 0.00 H new ATOM 0 HG2 LYS B 39 5.730 -5.387 12.021 1.00 0.00 H new ATOM 0 HG3 LYS B 39 5.514 -6.646 10.821 1.00 0.00 H new ATOM 0 HD2 LYS B 39 7.895 -6.338 10.104 1.00 0.00 H new ATOM 0 HD3 LYS B 39 8.099 -5.130 11.357 1.00 0.00 H new ATOM 0 HE2 LYS B 39 7.290 -8.023 11.853 1.00 0.00 H new ATOM 0 HE3 LYS B 39 8.919 -7.401 12.021 1.00 0.00 H new ATOM 0 HZ1 LYS B 39 7.933 -7.428 14.154 1.00 0.00 H new ATOM 0 HZ2 LYS B 39 8.013 -5.798 13.686 1.00 0.00 H new ATOM 0 HZ3 LYS B 39 6.535 -6.631 13.614 1.00 0.00 H new ATOM 619 N ARG B 40 8.366 -2.900 11.013 1.00 0.00 N ATOM 620 CA ARG B 40 9.754 -2.528 10.787 1.00 0.00 C ATOM 621 C ARG B 40 10.615 -3.761 10.591 1.00 0.00 C ATOM 622 O ARG B 40 10.440 -4.771 11.271 1.00 0.00 O ATOM 623 CB ARG B 40 10.305 -1.694 11.951 1.00 0.00 C ATOM 624 CG ARG B 40 9.751 -0.278 12.023 1.00 0.00 C ATOM 625 CD ARG B 40 8.276 -0.266 12.377 1.00 0.00 C ATOM 626 NE ARG B 40 7.710 1.080 12.360 1.00 0.00 N ATOM 627 CZ ARG B 40 6.490 1.384 12.805 1.00 0.00 C ATOM 628 NH1 ARG B 40 5.719 0.445 13.341 1.00 0.00 N ATOM 629 NH2 ARG B 40 6.044 2.631 12.723 1.00 0.00 N ATOM 0 H ARG B 40 8.155 -3.184 11.970 1.00 0.00 H new ATOM 0 HA ARG B 40 9.786 -1.922 9.882 1.00 0.00 H new ATOM 0 HB2 ARG B 40 10.083 -2.207 12.887 1.00 0.00 H new ATOM 0 HB3 ARG B 40 11.390 -1.643 11.865 1.00 0.00 H new ATOM 0 HG2 ARG B 40 10.308 0.292 12.767 1.00 0.00 H new ATOM 0 HG3 ARG B 40 9.898 0.219 11.064 1.00 0.00 H new ATOM 0 HD2 ARG B 40 7.731 -0.895 11.673 1.00 0.00 H new ATOM 0 HD3 ARG B 40 8.139 -0.702 13.366 1.00 0.00 H new ATOM 0 HE ARG B 40 8.284 1.835 11.984 1.00 0.00 H new ATOM 0 HH11 ARG B 40 6.059 -0.514 13.414 1.00 0.00 H new ATOM 0 HH12 ARG B 40 4.787 0.683 13.680 1.00 0.00 H new ATOM 0 HH21 ARG B 40 6.634 3.358 12.319 1.00 0.00 H new ATOM 0 HH22 ARG B 40 5.111 2.862 13.064 1.00 0.00 H new ATOM 643 N PHE B 41 11.534 -3.669 9.651 1.00 0.00 N ATOM 644 CA PHE B 41 12.465 -4.751 9.367 1.00 0.00 C ATOM 645 C PHE B 41 13.895 -4.237 9.404 1.00 0.00 C ATOM 646 O PHE B 41 14.145 -3.038 9.238 1.00 0.00 O ATOM 647 CB PHE B 41 12.192 -5.374 7.993 1.00 0.00 C ATOM 648 CG PHE B 41 11.006 -6.295 7.944 1.00 0.00 C ATOM 649 CD1 PHE B 41 9.715 -5.796 7.900 1.00 0.00 C ATOM 650 CD2 PHE B 41 11.189 -7.668 7.932 1.00 0.00 C ATOM 651 CE1 PHE B 41 8.630 -6.650 7.849 1.00 0.00 C ATOM 652 CE2 PHE B 41 10.109 -8.527 7.879 1.00 0.00 C ATOM 653 CZ PHE B 41 8.827 -8.016 7.838 1.00 0.00 C ATOM 0 H PHE B 41 11.659 -2.846 9.062 1.00 0.00 H new ATOM 0 HA PHE B 41 12.326 -5.515 10.132 1.00 0.00 H new ATOM 0 HB2 PHE B 41 12.042 -4.573 7.269 1.00 0.00 H new ATOM 0 HB3 PHE B 41 13.077 -5.927 7.678 1.00 0.00 H new ATOM 0 HD1 PHE B 41 9.555 -4.728 7.906 1.00 0.00 H new ATOM 0 HD2 PHE B 41 12.190 -8.072 7.965 1.00 0.00 H new ATOM 0 HE1 PHE B 41 7.628 -6.249 7.818 1.00 0.00 H new ATOM 0 HE2 PHE B 41 10.267 -9.595 7.870 1.00 0.00 H new ATOM 0 HZ PHE B 41 7.980 -8.684 7.797 1.00 0.00 H new ATOM 663 N LYS B 42 14.830 -5.140 9.632 1.00 0.00 N ATOM 664 CA LYS B 42 16.238 -4.799 9.590 1.00 0.00 C ATOM 665 C LYS B 42 17.059 -6.049 9.314 1.00 0.00 C ATOM 666 O LYS B 42 17.151 -6.944 10.153 1.00 0.00 O ATOM 667 CB LYS B 42 16.677 -4.146 10.900 1.00 0.00 C ATOM 668 CG LYS B 42 17.968 -3.348 10.780 1.00 0.00 C ATOM 669 CD LYS B 42 17.836 -2.165 9.819 1.00 0.00 C ATOM 670 CE LYS B 42 17.102 -0.975 10.439 1.00 0.00 C ATOM 671 NZ LYS B 42 15.687 -1.275 10.792 1.00 0.00 N ATOM 0 H LYS B 42 14.638 -6.118 9.849 1.00 0.00 H new ATOM 0 HA LYS B 42 16.403 -4.081 8.787 1.00 0.00 H new ATOM 0 HB2 LYS B 42 15.883 -3.487 11.252 1.00 0.00 H new ATOM 0 HB3 LYS B 42 16.807 -4.920 11.656 1.00 0.00 H new ATOM 0 HG2 LYS B 42 18.258 -2.982 11.765 1.00 0.00 H new ATOM 0 HG3 LYS B 42 18.767 -4.005 10.436 1.00 0.00 H new ATOM 0 HD2 LYS B 42 18.830 -1.848 9.502 1.00 0.00 H new ATOM 0 HD3 LYS B 42 17.304 -2.488 8.924 1.00 0.00 H new ATOM 0 HE2 LYS B 42 17.633 -0.656 11.336 1.00 0.00 H new ATOM 0 HE3 LYS B 42 17.125 -0.138 9.741 1.00 0.00 H new ATOM 0 HZ1 LYS B 42 15.129 -0.398 10.765 1.00 0.00 H new ATOM 0 HZ2 LYS B 42 15.296 -1.955 10.109 1.00 0.00 H new ATOM 0 HZ3 LYS B 42 15.647 -1.682 11.748 1.00 0.00 H new ATOM 685 N GLY B 43 17.635 -6.109 8.127 1.00 0.00 N ATOM 686 CA GLY B 43 18.381 -7.278 7.721 1.00 0.00 C ATOM 687 C GLY B 43 17.705 -7.986 6.569 1.00 0.00 C ATOM 688 O GLY B 43 18.210 -8.985 6.056 1.00 0.00 O ATOM 0 H GLY B 43 17.599 -5.363 7.432 1.00 0.00 H new ATOM 0 HA2 GLY B 43 19.390 -6.986 7.430 1.00 0.00 H new ATOM 0 HA3 GLY B 43 18.478 -7.961 8.564 1.00 0.00 H new ATOM 692 N ALA B 44 16.566 -7.450 6.158 1.00 0.00 N ATOM 693 CA ALA B 44 15.788 -8.024 5.077 1.00 0.00 C ATOM 694 C ALA B 44 15.903 -7.163 3.828 1.00 0.00 C ATOM 695 O ALA B 44 16.471 -6.069 3.875 1.00 0.00 O ATOM 696 CB ALA B 44 14.333 -8.166 5.500 1.00 0.00 C ATOM 0 H ALA B 44 16.158 -6.608 6.564 1.00 0.00 H new ATOM 0 HA ALA B 44 16.180 -9.014 4.846 1.00 0.00 H new ATOM 0 HB1 ALA B 44 13.757 -8.598 4.682 1.00 0.00 H new ATOM 0 HB2 ALA B 44 14.269 -8.817 6.372 1.00 0.00 H new ATOM 0 HB3 ALA B 44 13.929 -7.185 5.750 1.00 0.00 H new ATOM 702 N ALA B 45 15.379 -7.655 2.715 1.00 0.00 N ATOM 703 CA ALA B 45 15.378 -6.898 1.467 1.00 0.00 C ATOM 704 C ALA B 45 14.535 -5.632 1.602 1.00 0.00 C ATOM 705 O ALA B 45 14.675 -4.687 0.826 1.00 0.00 O ATOM 706 CB ALA B 45 14.864 -7.763 0.330 1.00 0.00 C ATOM 0 H ALA B 45 14.948 -8.577 2.648 1.00 0.00 H new ATOM 0 HA ALA B 45 16.402 -6.600 1.243 1.00 0.00 H new ATOM 0 HB1 ALA B 45 14.868 -7.187 -0.596 1.00 0.00 H new ATOM 0 HB2 ALA B 45 15.507 -8.636 0.217 1.00 0.00 H new ATOM 0 HB3 ALA B 45 13.847 -8.088 0.551 1.00 0.00 H new ATOM 712 N TYR B 46 13.678 -5.621 2.610 1.00 0.00 N ATOM 713 CA TYR B 46 12.825 -4.490 2.892 1.00 0.00 C ATOM 714 C TYR B 46 13.019 -4.082 4.339 1.00 0.00 C ATOM 715 O TYR B 46 13.235 -4.929 5.202 1.00 0.00 O ATOM 716 CB TYR B 46 11.356 -4.832 2.603 1.00 0.00 C ATOM 717 CG TYR B 46 11.037 -6.303 2.749 1.00 0.00 C ATOM 718 CD1 TYR B 46 10.821 -6.875 3.995 1.00 0.00 C ATOM 719 CD2 TYR B 46 10.967 -7.121 1.629 1.00 0.00 C ATOM 720 CE1 TYR B 46 10.547 -8.224 4.120 1.00 0.00 C ATOM 721 CE2 TYR B 46 10.690 -8.466 1.745 1.00 0.00 C ATOM 722 CZ TYR B 46 10.483 -9.013 2.990 1.00 0.00 C ATOM 723 OH TYR B 46 10.217 -10.356 3.107 1.00 0.00 O ATOM 0 H TYR B 46 13.558 -6.402 3.255 1.00 0.00 H new ATOM 0 HA TYR B 46 13.095 -3.655 2.245 1.00 0.00 H new ATOM 0 HB2 TYR B 46 10.719 -4.262 3.279 1.00 0.00 H new ATOM 0 HB3 TYR B 46 11.110 -4.514 1.590 1.00 0.00 H new ATOM 0 HD1 TYR B 46 10.868 -6.257 4.880 1.00 0.00 H new ATOM 0 HD2 TYR B 46 11.132 -6.696 0.650 1.00 0.00 H new ATOM 0 HE1 TYR B 46 10.384 -8.658 5.096 1.00 0.00 H new ATOM 0 HE2 TYR B 46 10.636 -9.087 0.863 1.00 0.00 H new ATOM 0 HH TYR B 46 10.847 -10.864 2.554 1.00 0.00 H new ATOM 733 N LYS B 47 12.985 -2.790 4.589 1.00 0.00 N ATOM 734 CA LYS B 47 13.228 -2.258 5.920 1.00 0.00 C ATOM 735 C LYS B 47 11.914 -1.850 6.559 1.00 0.00 C ATOM 736 O LYS B 47 11.825 -1.670 7.774 1.00 0.00 O ATOM 737 CB LYS B 47 14.175 -1.050 5.869 1.00 0.00 C ATOM 738 CG LYS B 47 15.609 -1.378 5.446 1.00 0.00 C ATOM 739 CD LYS B 47 15.702 -1.808 3.986 1.00 0.00 C ATOM 740 CE LYS B 47 15.344 -0.682 3.029 1.00 0.00 C ATOM 741 NZ LYS B 47 15.181 -1.180 1.638 1.00 0.00 N ATOM 0 H LYS B 47 12.790 -2.080 3.883 1.00 0.00 H new ATOM 0 HA LYS B 47 13.700 -3.039 6.517 1.00 0.00 H new ATOM 0 HB2 LYS B 47 13.766 -0.314 5.177 1.00 0.00 H new ATOM 0 HB3 LYS B 47 14.199 -0.583 6.853 1.00 0.00 H new ATOM 0 HG2 LYS B 47 16.240 -0.504 5.605 1.00 0.00 H new ATOM 0 HG3 LYS B 47 15.999 -2.173 6.081 1.00 0.00 H new ATOM 0 HD2 LYS B 47 16.714 -2.153 3.775 1.00 0.00 H new ATOM 0 HD3 LYS B 47 15.035 -2.653 3.815 1.00 0.00 H new ATOM 0 HE2 LYS B 47 14.420 -0.205 3.356 1.00 0.00 H new ATOM 0 HE3 LYS B 47 16.123 0.080 3.055 1.00 0.00 H new ATOM 0 HZ1 LYS B 47 15.038 -0.375 0.996 1.00 0.00 H new ATOM 0 HZ2 LYS B 47 16.034 -1.702 1.354 1.00 0.00 H new ATOM 0 HZ3 LYS B 47 14.356 -1.812 1.590 1.00 0.00 H new ATOM 755 N LEU B 48 10.900 -1.700 5.731 1.00 0.00 N ATOM 756 CA LEU B 48 9.582 -1.327 6.206 1.00 0.00 C ATOM 757 C LEU B 48 8.509 -2.086 5.430 1.00 0.00 C ATOM 758 O LEU B 48 8.560 -2.176 4.202 1.00 0.00 O ATOM 759 CB LEU B 48 9.387 0.188 6.060 1.00 0.00 C ATOM 760 CG LEU B 48 8.635 0.885 7.206 1.00 0.00 C ATOM 761 CD1 LEU B 48 7.204 0.401 7.300 1.00 0.00 C ATOM 762 CD2 LEU B 48 9.339 0.654 8.530 1.00 0.00 C ATOM 0 H LEU B 48 10.964 -1.831 4.721 1.00 0.00 H new ATOM 0 HA LEU B 48 9.493 -1.590 7.260 1.00 0.00 H new ATOM 0 HB2 LEU B 48 10.368 0.653 5.960 1.00 0.00 H new ATOM 0 HB3 LEU B 48 8.849 0.377 5.131 1.00 0.00 H new ATOM 0 HG LEU B 48 8.626 1.953 6.987 1.00 0.00 H new ATOM 0 HD11 LEU B 48 6.700 0.913 8.120 1.00 0.00 H new ATOM 0 HD12 LEU B 48 6.686 0.615 6.365 1.00 0.00 H new ATOM 0 HD13 LEU B 48 7.195 -0.674 7.483 1.00 0.00 H new ATOM 0 HD21 LEU B 48 8.790 1.156 9.327 1.00 0.00 H new ATOM 0 HD22 LEU B 48 9.383 -0.415 8.737 1.00 0.00 H new ATOM 0 HD23 LEU B 48 10.351 1.055 8.479 1.00 0.00 H new ATOM 774 N ARG B 49 7.558 -2.650 6.158 1.00 0.00 N ATOM 775 CA ARG B 49 6.432 -3.352 5.557 1.00 0.00 C ATOM 776 C ARG B 49 5.137 -2.623 5.883 1.00 0.00 C ATOM 777 O ARG B 49 4.875 -2.304 7.042 1.00 0.00 O ATOM 778 CB ARG B 49 6.339 -4.784 6.084 1.00 0.00 C ATOM 779 CG ARG B 49 5.249 -5.604 5.412 1.00 0.00 C ATOM 780 CD ARG B 49 4.993 -6.920 6.132 1.00 0.00 C ATOM 781 NE ARG B 49 4.094 -6.753 7.274 1.00 0.00 N ATOM 782 CZ ARG B 49 3.312 -7.726 7.753 1.00 0.00 C ATOM 783 NH1 ARG B 49 3.374 -8.950 7.239 1.00 0.00 N ATOM 784 NH2 ARG B 49 2.485 -7.480 8.762 1.00 0.00 N ATOM 0 H ARG B 49 7.543 -2.635 7.178 1.00 0.00 H new ATOM 0 HA ARG B 49 6.586 -3.379 4.478 1.00 0.00 H new ATOM 0 HB2 ARG B 49 7.299 -5.280 5.939 1.00 0.00 H new ATOM 0 HB3 ARG B 49 6.154 -4.757 7.158 1.00 0.00 H new ATOM 0 HG2 ARG B 49 4.327 -5.023 5.381 1.00 0.00 H new ATOM 0 HG3 ARG B 49 5.533 -5.806 4.379 1.00 0.00 H new ATOM 0 HD2 ARG B 49 4.563 -7.638 5.434 1.00 0.00 H new ATOM 0 HD3 ARG B 49 5.940 -7.337 6.474 1.00 0.00 H new ATOM 0 HE ARG B 49 4.062 -5.842 7.731 1.00 0.00 H new ATOM 0 HH11 ARG B 49 4.020 -9.150 6.476 1.00 0.00 H new ATOM 0 HH12 ARG B 49 2.775 -9.689 7.608 1.00 0.00 H new ATOM 0 HH21 ARG B 49 2.445 -6.547 9.173 1.00 0.00 H new ATOM 0 HH22 ARG B 49 1.889 -8.224 9.126 1.00 0.00 H new ATOM 798 N ILE B 50 4.340 -2.349 4.866 1.00 0.00 N ATOM 799 CA ILE B 50 3.043 -1.724 5.070 1.00 0.00 C ATOM 800 C ILE B 50 1.975 -2.583 4.409 1.00 0.00 C ATOM 801 O ILE B 50 2.094 -2.943 3.240 1.00 0.00 O ATOM 802 CB ILE B 50 2.962 -0.270 4.511 1.00 0.00 C ATOM 803 CG1 ILE B 50 4.121 0.615 4.998 1.00 0.00 C ATOM 804 CG2 ILE B 50 1.650 0.371 4.929 1.00 0.00 C ATOM 805 CD1 ILE B 50 5.465 0.308 4.378 1.00 0.00 C ATOM 0 H ILE B 50 4.566 -2.548 3.892 1.00 0.00 H new ATOM 0 HA ILE B 50 2.884 -1.652 6.146 1.00 0.00 H new ATOM 0 HB ILE B 50 3.028 -0.345 3.426 1.00 0.00 H new ATOM 0 HG12 ILE B 50 3.873 1.657 4.794 1.00 0.00 H new ATOM 0 HG13 ILE B 50 4.205 0.514 6.080 1.00 0.00 H new ATOM 0 HG21 ILE B 50 1.599 1.386 4.536 1.00 0.00 H new ATOM 0 HG22 ILE B 50 0.818 -0.213 4.535 1.00 0.00 H new ATOM 0 HG23 ILE B 50 1.590 0.400 6.017 1.00 0.00 H new ATOM 0 HD11 ILE B 50 6.217 0.985 4.785 1.00 0.00 H new ATOM 0 HD12 ILE B 50 5.743 -0.721 4.604 1.00 0.00 H new ATOM 0 HD13 ILE B 50 5.406 0.439 3.298 1.00 0.00 H new ATOM 817 N LEU B 51 0.956 -2.936 5.167 1.00 0.00 N ATOM 818 CA LEU B 51 -0.098 -3.807 4.676 1.00 0.00 C ATOM 819 C LEU B 51 -1.417 -3.059 4.631 1.00 0.00 C ATOM 820 O LEU B 51 -1.892 -2.575 5.652 1.00 0.00 O ATOM 821 CB LEU B 51 -0.228 -5.041 5.575 1.00 0.00 C ATOM 822 CG LEU B 51 0.219 -6.366 4.951 1.00 0.00 C ATOM 823 CD1 LEU B 51 -0.664 -6.719 3.767 1.00 0.00 C ATOM 824 CD2 LEU B 51 1.678 -6.301 4.528 1.00 0.00 C ATOM 0 H LEU B 51 0.834 -2.631 6.133 1.00 0.00 H new ATOM 0 HA LEU B 51 0.160 -4.131 3.668 1.00 0.00 H new ATOM 0 HB2 LEU B 51 0.355 -4.872 6.480 1.00 0.00 H new ATOM 0 HB3 LEU B 51 -1.270 -5.137 5.880 1.00 0.00 H new ATOM 0 HG LEU B 51 0.119 -7.148 5.704 1.00 0.00 H new ATOM 0 HD11 LEU B 51 -0.333 -7.663 3.335 1.00 0.00 H new ATOM 0 HD12 LEU B 51 -1.698 -6.815 4.100 1.00 0.00 H new ATOM 0 HD13 LEU B 51 -0.596 -5.933 3.015 1.00 0.00 H new ATOM 0 HD21 LEU B 51 1.972 -7.254 4.088 1.00 0.00 H new ATOM 0 HD22 LEU B 51 1.809 -5.506 3.794 1.00 0.00 H new ATOM 0 HD23 LEU B 51 2.301 -6.096 5.399 1.00 0.00 H new ATOM 836 N ILE B 52 -1.993 -2.947 3.449 1.00 0.00 N ATOM 837 CA ILE B 52 -3.265 -2.262 3.293 1.00 0.00 C ATOM 838 C ILE B 52 -4.284 -3.193 2.653 1.00 0.00 C ATOM 839 O ILE B 52 -4.231 -3.456 1.453 1.00 0.00 O ATOM 840 CB ILE B 52 -3.149 -0.978 2.435 1.00 0.00 C ATOM 841 CG1 ILE B 52 -2.040 -0.057 2.953 1.00 0.00 C ATOM 842 CG2 ILE B 52 -4.475 -0.236 2.416 1.00 0.00 C ATOM 843 CD1 ILE B 52 -0.674 -0.364 2.379 1.00 0.00 C ATOM 0 H ILE B 52 -1.602 -3.320 2.584 1.00 0.00 H new ATOM 0 HA ILE B 52 -3.588 -1.969 4.292 1.00 0.00 H new ATOM 0 HB ILE B 52 -2.891 -1.279 1.420 1.00 0.00 H new ATOM 0 HG12 ILE B 52 -2.299 0.976 2.718 1.00 0.00 H new ATOM 0 HG13 ILE B 52 -1.993 -0.135 4.039 1.00 0.00 H new ATOM 0 HG21 ILE B 52 -4.379 0.665 1.809 1.00 0.00 H new ATOM 0 HG22 ILE B 52 -5.246 -0.879 1.992 1.00 0.00 H new ATOM 0 HG23 ILE B 52 -4.752 0.040 3.433 1.00 0.00 H new ATOM 0 HD11 ILE B 52 0.059 0.329 2.792 1.00 0.00 H new ATOM 0 HD12 ILE B 52 -0.393 -1.385 2.636 1.00 0.00 H new ATOM 0 HD13 ILE B 52 -0.703 -0.257 1.295 1.00 0.00 H new ATOM 855 N GLU B 53 -5.200 -3.705 3.453 1.00 0.00 N ATOM 856 CA GLU B 53 -6.229 -4.596 2.943 1.00 0.00 C ATOM 857 C GLU B 53 -7.568 -3.876 2.925 1.00 0.00 C ATOM 858 O GLU B 53 -7.795 -2.958 3.712 1.00 0.00 O ATOM 859 CB GLU B 53 -6.309 -5.859 3.800 1.00 0.00 C ATOM 860 CG GLU B 53 -6.859 -5.607 5.193 1.00 0.00 C ATOM 861 CD GLU B 53 -6.745 -6.809 6.110 1.00 0.00 C ATOM 862 OE1 GLU B 53 -5.650 -7.039 6.667 1.00 0.00 O ATOM 863 OE2 GLU B 53 -7.755 -7.524 6.292 1.00 0.00 O ATOM 0 H GLU B 53 -5.254 -3.521 4.455 1.00 0.00 H new ATOM 0 HA GLU B 53 -5.974 -4.890 1.925 1.00 0.00 H new ATOM 0 HB2 GLU B 53 -6.938 -6.592 3.296 1.00 0.00 H new ATOM 0 HB3 GLU B 53 -5.314 -6.296 3.884 1.00 0.00 H new ATOM 0 HG2 GLU B 53 -6.327 -4.767 5.639 1.00 0.00 H new ATOM 0 HG3 GLU B 53 -7.907 -5.316 5.115 1.00 0.00 H new ATOM 870 N ASN B 54 -8.444 -4.275 2.024 1.00 0.00 N ATOM 871 CA ASN B 54 -9.741 -3.627 1.900 1.00 0.00 C ATOM 872 C ASN B 54 -10.830 -4.488 2.511 1.00 0.00 C ATOM 873 O ASN B 54 -11.091 -5.596 2.050 1.00 0.00 O ATOM 874 CB ASN B 54 -10.072 -3.343 0.437 1.00 0.00 C ATOM 875 CG ASN B 54 -11.208 -2.347 0.275 1.00 0.00 C ATOM 876 OD1 ASN B 54 -11.909 -2.352 -0.732 1.00 0.00 O ATOM 877 ND2 ASN B 54 -11.394 -1.480 1.259 1.00 0.00 N ATOM 0 H ASN B 54 -8.286 -5.040 1.369 1.00 0.00 H new ATOM 0 HA ASN B 54 -9.691 -2.680 2.438 1.00 0.00 H new ATOM 0 HB2 ASN B 54 -9.184 -2.959 -0.064 1.00 0.00 H new ATOM 0 HB3 ASN B 54 -10.339 -4.276 -0.059 1.00 0.00 H new ATOM 0 HD21 ASN B 54 -12.140 -0.787 1.194 1.00 0.00 H new ATOM 0 HD22 ASN B 54 -10.792 -1.505 2.082 1.00 0.00 H new ATOM 884 N LYS B 55 -11.449 -3.974 3.556 1.00 0.00 N ATOM 885 CA LYS B 55 -12.506 -4.684 4.248 1.00 0.00 C ATOM 886 C LYS B 55 -13.653 -3.739 4.595 1.00 0.00 C ATOM 887 O LYS B 55 -13.640 -3.084 5.633 1.00 0.00 O ATOM 888 CB LYS B 55 -11.938 -5.333 5.512 1.00 0.00 C ATOM 889 CG LYS B 55 -10.942 -4.446 6.247 1.00 0.00 C ATOM 890 CD LYS B 55 -10.396 -5.118 7.492 1.00 0.00 C ATOM 891 CE LYS B 55 -11.454 -5.253 8.571 1.00 0.00 C ATOM 892 NZ LYS B 55 -10.890 -5.821 9.822 1.00 0.00 N ATOM 0 H LYS B 55 -11.235 -3.057 3.947 1.00 0.00 H new ATOM 0 HA LYS B 55 -12.902 -5.461 3.594 1.00 0.00 H new ATOM 0 HB2 LYS B 55 -12.759 -5.582 6.185 1.00 0.00 H new ATOM 0 HB3 LYS B 55 -11.451 -6.270 5.244 1.00 0.00 H new ATOM 0 HG2 LYS B 55 -10.118 -4.195 5.579 1.00 0.00 H new ATOM 0 HG3 LYS B 55 -11.425 -3.509 6.523 1.00 0.00 H new ATOM 0 HD2 LYS B 55 -10.013 -6.105 7.234 1.00 0.00 H new ATOM 0 HD3 LYS B 55 -9.556 -4.541 7.877 1.00 0.00 H new ATOM 0 HE2 LYS B 55 -11.890 -4.276 8.779 1.00 0.00 H new ATOM 0 HE3 LYS B 55 -12.261 -5.892 8.212 1.00 0.00 H new ATOM 0 HZ1 LYS B 55 -11.665 -6.135 10.441 1.00 0.00 H new ATOM 0 HZ2 LYS B 55 -10.281 -6.632 9.591 1.00 0.00 H new ATOM 0 HZ3 LYS B 55 -10.329 -5.095 10.311 1.00 0.00 H new ATOM 906 N ALA B 56 -14.640 -3.674 3.718 1.00 0.00 N ATOM 907 CA ALA B 56 -15.835 -2.871 3.956 1.00 0.00 C ATOM 908 C ALA B 56 -17.086 -3.653 3.557 1.00 0.00 C ATOM 909 O ALA B 56 -16.976 -4.659 2.854 1.00 0.00 O ATOM 910 CB ALA B 56 -15.752 -1.561 3.184 1.00 0.00 C ATOM 0 H ALA B 56 -14.640 -4.171 2.827 1.00 0.00 H new ATOM 0 HA ALA B 56 -15.898 -2.641 5.020 1.00 0.00 H new ATOM 0 HB1 ALA B 56 -16.650 -0.971 3.370 1.00 0.00 H new ATOM 0 HB2 ALA B 56 -14.876 -1.001 3.511 1.00 0.00 H new ATOM 0 HB3 ALA B 56 -15.671 -1.772 2.118 1.00 0.00 H new ATOM 916 N PRO B 57 -18.287 -3.226 3.996 1.00 0.00 N ATOM 917 CA PRO B 57 -19.537 -3.914 3.651 1.00 0.00 C ATOM 918 C PRO B 57 -19.736 -4.009 2.145 1.00 0.00 C ATOM 919 O PRO B 57 -20.053 -5.073 1.607 1.00 0.00 O ATOM 920 CB PRO B 57 -20.629 -3.037 4.283 1.00 0.00 C ATOM 921 CG PRO B 57 -19.966 -1.733 4.568 1.00 0.00 C ATOM 922 CD PRO B 57 -18.535 -2.064 4.864 1.00 0.00 C ATOM 0 HA PRO B 57 -19.548 -4.942 4.012 1.00 0.00 H new ATOM 0 HB2 PRO B 57 -21.473 -2.910 3.605 1.00 0.00 H new ATOM 0 HB3 PRO B 57 -21.018 -3.489 5.195 1.00 0.00 H new ATOM 0 HG2 PRO B 57 -20.044 -1.059 3.715 1.00 0.00 H new ATOM 0 HG3 PRO B 57 -20.435 -1.231 5.414 1.00 0.00 H new ATOM 0 HD2 PRO B 57 -17.870 -1.233 4.629 1.00 0.00 H new ATOM 0 HD3 PRO B 57 -18.384 -2.305 5.916 1.00 0.00 H new ATOM 930 N ASN B 58 -19.518 -2.895 1.469 1.00 0.00 N ATOM 931 CA ASN B 58 -19.733 -2.816 0.030 1.00 0.00 C ATOM 932 C ASN B 58 -18.580 -2.084 -0.636 1.00 0.00 C ATOM 933 O ASN B 58 -18.768 -1.036 -1.247 1.00 0.00 O ATOM 934 CB ASN B 58 -21.053 -2.099 -0.279 1.00 0.00 C ATOM 935 CG ASN B 58 -22.251 -2.794 0.332 1.00 0.00 C ATOM 936 OD1 ASN B 58 -22.562 -2.450 1.572 1.00 0.00 O flip ATOM 937 ND2 ASN B 58 -22.879 -3.645 -0.295 1.00 0.00 N flip ATOM 0 H ASN B 58 -19.191 -2.027 1.893 1.00 0.00 H new ATOM 0 HA ASN B 58 -19.785 -3.831 -0.364 1.00 0.00 H new ATOM 0 HB2 ASN B 58 -21.002 -1.076 0.094 1.00 0.00 H new ATOM 0 HB3 ASN B 58 -21.185 -2.038 -1.359 1.00 0.00 H new ATOM 0 HD21 ASN B 58 -22.606 -3.880 -1.249 1.00 0.00 H new ATOM 0 HD22 ASN B 58 -23.673 -4.115 0.139 1.00 0.00 H new ATOM 944 N SER B 59 -17.389 -2.646 -0.511 1.00 0.00 N ATOM 945 CA SER B 59 -16.187 -2.025 -1.045 1.00 0.00 C ATOM 946 C SER B 59 -16.259 -1.885 -2.558 1.00 0.00 C ATOM 947 O SER B 59 -16.402 -2.871 -3.283 1.00 0.00 O ATOM 948 CB SER B 59 -14.962 -2.858 -0.671 1.00 0.00 C ATOM 949 OG SER B 59 -14.949 -3.158 0.712 1.00 0.00 O ATOM 0 H SER B 59 -17.228 -3.537 -0.041 1.00 0.00 H new ATOM 0 HA SER B 59 -16.106 -1.028 -0.612 1.00 0.00 H new ATOM 0 HB2 SER B 59 -14.959 -3.784 -1.246 1.00 0.00 H new ATOM 0 HB3 SER B 59 -14.055 -2.315 -0.936 1.00 0.00 H new ATOM 0 HG SER B 59 -14.156 -3.693 0.923 1.00 0.00 H new ATOM 955 N LYS B 60 -16.160 -0.654 -3.030 1.00 0.00 N ATOM 956 CA LYS B 60 -16.098 -0.391 -4.457 1.00 0.00 C ATOM 957 C LYS B 60 -14.868 0.440 -4.807 1.00 0.00 C ATOM 958 O LYS B 60 -14.974 1.633 -5.092 1.00 0.00 O ATOM 959 CB LYS B 60 -17.362 0.324 -4.932 1.00 0.00 C ATOM 960 CG LYS B 60 -18.577 -0.582 -5.058 1.00 0.00 C ATOM 961 CD LYS B 60 -19.667 0.062 -5.905 1.00 0.00 C ATOM 962 CE LYS B 60 -20.197 1.341 -5.276 1.00 0.00 C ATOM 963 NZ LYS B 60 -21.124 2.066 -6.186 1.00 0.00 N ATOM 0 H LYS B 60 -16.121 0.180 -2.444 1.00 0.00 H new ATOM 0 HA LYS B 60 -16.025 -1.351 -4.967 1.00 0.00 H new ATOM 0 HB2 LYS B 60 -17.594 1.130 -4.236 1.00 0.00 H new ATOM 0 HB3 LYS B 60 -17.164 0.785 -5.900 1.00 0.00 H new ATOM 0 HG2 LYS B 60 -18.280 -1.531 -5.505 1.00 0.00 H new ATOM 0 HG3 LYS B 60 -18.970 -0.806 -4.066 1.00 0.00 H new ATOM 0 HD2 LYS B 60 -19.272 0.282 -6.897 1.00 0.00 H new ATOM 0 HD3 LYS B 60 -20.487 -0.644 -6.038 1.00 0.00 H new ATOM 0 HE2 LYS B 60 -20.714 1.101 -4.347 1.00 0.00 H new ATOM 0 HE3 LYS B 60 -19.361 1.991 -5.017 1.00 0.00 H new ATOM 0 HZ1 LYS B 60 -21.462 2.932 -5.719 1.00 0.00 H new ATOM 0 HZ2 LYS B 60 -20.624 2.318 -7.062 1.00 0.00 H new ATOM 0 HZ3 LYS B 60 -21.935 1.456 -6.414 1.00 0.00 H new ATOM 977 N PRO B 61 -13.676 -0.169 -4.762 1.00 0.00 N ATOM 978 CA PRO B 61 -12.457 0.481 -5.222 1.00 0.00 C ATOM 979 C PRO B 61 -12.379 0.494 -6.737 1.00 0.00 C ATOM 980 O PRO B 61 -12.733 -0.483 -7.404 1.00 0.00 O ATOM 981 CB PRO B 61 -11.345 -0.382 -4.637 1.00 0.00 C ATOM 982 CG PRO B 61 -11.949 -1.736 -4.492 1.00 0.00 C ATOM 983 CD PRO B 61 -13.419 -1.528 -4.249 1.00 0.00 C ATOM 0 HA PRO B 61 -12.399 1.524 -4.911 1.00 0.00 H new ATOM 0 HB2 PRO B 61 -10.475 -0.405 -5.294 1.00 0.00 H new ATOM 0 HB3 PRO B 61 -11.008 0.006 -3.676 1.00 0.00 H new ATOM 0 HG2 PRO B 61 -11.785 -2.331 -5.390 1.00 0.00 H new ATOM 0 HG3 PRO B 61 -11.492 -2.277 -3.663 1.00 0.00 H new ATOM 0 HD2 PRO B 61 -14.019 -2.272 -4.772 1.00 0.00 H new ATOM 0 HD3 PRO B 61 -13.664 -1.608 -3.190 1.00 0.00 H new ATOM 991 N ASP B 62 -11.920 1.610 -7.267 1.00 0.00 N ATOM 992 CA ASP B 62 -11.807 1.786 -8.706 1.00 0.00 C ATOM 993 C ASP B 62 -10.500 1.198 -9.183 1.00 0.00 C ATOM 994 O ASP B 62 -10.473 0.201 -9.904 1.00 0.00 O ATOM 995 CB ASP B 62 -11.860 3.269 -9.088 1.00 0.00 C ATOM 996 CG ASP B 62 -13.003 4.017 -8.437 1.00 0.00 C ATOM 997 OD1 ASP B 62 -14.126 3.995 -8.980 1.00 0.00 O ATOM 998 OD2 ASP B 62 -12.771 4.654 -7.388 1.00 0.00 O ATOM 0 H ASP B 62 -11.616 2.416 -6.720 1.00 0.00 H new ATOM 0 HA ASP B 62 -12.646 1.276 -9.179 1.00 0.00 H new ATOM 0 HB2 ASP B 62 -10.919 3.743 -8.808 1.00 0.00 H new ATOM 0 HB3 ASP B 62 -11.950 3.355 -10.171 1.00 0.00 H new ATOM 1003 N ARG B 63 -9.414 1.819 -8.764 1.00 0.00 N ATOM 1004 CA ARG B 63 -8.088 1.392 -9.152 1.00 0.00 C ATOM 1005 C ARG B 63 -7.060 1.951 -8.187 1.00 0.00 C ATOM 1006 O ARG B 63 -7.366 2.836 -7.389 1.00 0.00 O ATOM 1007 CB ARG B 63 -7.801 1.857 -10.574 1.00 0.00 C ATOM 1008 CG ARG B 63 -8.042 3.340 -10.774 1.00 0.00 C ATOM 1009 CD ARG B 63 -8.795 3.599 -12.064 1.00 0.00 C ATOM 1010 NE ARG B 63 -10.188 3.146 -12.015 1.00 0.00 N ATOM 1011 CZ ARG B 63 -10.696 2.189 -12.798 1.00 0.00 C ATOM 1012 NH1 ARG B 63 -9.919 1.545 -13.661 1.00 0.00 N ATOM 1013 NH2 ARG B 63 -11.987 1.878 -12.718 1.00 0.00 N ATOM 0 H ARG B 63 -9.428 2.631 -8.147 1.00 0.00 H new ATOM 0 HA ARG B 63 -8.031 0.304 -9.120 1.00 0.00 H new ATOM 0 HB2 ARG B 63 -6.765 1.626 -10.823 1.00 0.00 H new ATOM 0 HB3 ARG B 63 -8.428 1.296 -11.267 1.00 0.00 H new ATOM 0 HG2 ARG B 63 -8.609 3.737 -9.932 1.00 0.00 H new ATOM 0 HG3 ARG B 63 -7.088 3.868 -10.793 1.00 0.00 H new ATOM 0 HD2 ARG B 63 -8.773 4.667 -12.283 1.00 0.00 H new ATOM 0 HD3 ARG B 63 -8.284 3.095 -12.884 1.00 0.00 H new ATOM 0 HE ARG B 63 -10.810 3.590 -11.340 1.00 0.00 H new ATOM 0 HH11 ARG B 63 -8.929 1.780 -13.729 1.00 0.00 H new ATOM 0 HH12 ARG B 63 -10.312 0.816 -14.256 1.00 0.00 H new ATOM 0 HH21 ARG B 63 -12.590 2.370 -12.059 1.00 0.00 H new ATOM 0 HH22 ARG B 63 -12.374 1.148 -13.316 1.00 0.00 H new ATOM 1027 N PHE B 64 -5.853 1.426 -8.262 1.00 0.00 N ATOM 1028 CA PHE B 64 -4.776 1.844 -7.382 1.00 0.00 C ATOM 1029 C PHE B 64 -3.713 2.585 -8.163 1.00 0.00 C ATOM 1030 O PHE B 64 -3.218 2.092 -9.176 1.00 0.00 O ATOM 1031 CB PHE B 64 -4.148 0.637 -6.683 1.00 0.00 C ATOM 1032 CG PHE B 64 -5.010 0.046 -5.607 1.00 0.00 C ATOM 1033 CD1 PHE B 64 -4.964 0.555 -4.323 1.00 0.00 C ATOM 1034 CD2 PHE B 64 -5.854 -1.017 -5.876 1.00 0.00 C ATOM 1035 CE1 PHE B 64 -5.745 0.013 -3.321 1.00 0.00 C ATOM 1036 CE2 PHE B 64 -6.639 -1.562 -4.879 1.00 0.00 C ATOM 1037 CZ PHE B 64 -6.584 -1.047 -3.600 1.00 0.00 C ATOM 0 H PHE B 64 -5.590 0.701 -8.930 1.00 0.00 H new ATOM 0 HA PHE B 64 -5.197 2.509 -6.628 1.00 0.00 H new ATOM 0 HB2 PHE B 64 -3.933 -0.131 -7.426 1.00 0.00 H new ATOM 0 HB3 PHE B 64 -3.194 0.936 -6.249 1.00 0.00 H new ATOM 0 HD1 PHE B 64 -4.310 1.385 -4.101 1.00 0.00 H new ATOM 0 HD2 PHE B 64 -5.899 -1.424 -6.875 1.00 0.00 H new ATOM 0 HE1 PHE B 64 -5.699 0.418 -2.321 1.00 0.00 H new ATOM 0 HE2 PHE B 64 -7.295 -2.391 -5.100 1.00 0.00 H new ATOM 0 HZ PHE B 64 -7.196 -1.473 -2.819 1.00 0.00 H new ATOM 1047 N SER B 65 -3.366 3.765 -7.691 1.00 0.00 N ATOM 1048 CA SER B 65 -2.305 4.541 -8.302 1.00 0.00 C ATOM 1049 C SER B 65 -1.393 5.109 -7.222 1.00 0.00 C ATOM 1050 O SER B 65 -1.497 6.277 -6.853 1.00 0.00 O ATOM 1051 CB SER B 65 -2.906 5.665 -9.153 1.00 0.00 C ATOM 1052 OG SER B 65 -3.838 6.431 -8.404 1.00 0.00 O ATOM 0 H SER B 65 -3.804 4.209 -6.884 1.00 0.00 H new ATOM 0 HA SER B 65 -1.712 3.897 -8.951 1.00 0.00 H new ATOM 0 HB2 SER B 65 -2.110 6.313 -9.520 1.00 0.00 H new ATOM 0 HB3 SER B 65 -3.399 5.240 -10.027 1.00 0.00 H new ATOM 0 HG SER B 65 -3.437 6.688 -7.548 1.00 0.00 H new ATOM 1058 N PRO B 66 -0.482 4.278 -6.699 1.00 0.00 N ATOM 1059 CA PRO B 66 0.450 4.696 -5.662 1.00 0.00 C ATOM 1060 C PRO B 66 1.624 5.482 -6.223 1.00 0.00 C ATOM 1061 O PRO B 66 2.092 5.233 -7.334 1.00 0.00 O ATOM 1062 CB PRO B 66 0.917 3.380 -5.054 1.00 0.00 C ATOM 1063 CG PRO B 66 0.784 2.377 -6.148 1.00 0.00 C ATOM 1064 CD PRO B 66 -0.314 2.859 -7.058 1.00 0.00 C ATOM 0 HA PRO B 66 -0.014 5.367 -4.940 1.00 0.00 H new ATOM 0 HB2 PRO B 66 1.948 3.450 -4.707 1.00 0.00 H new ATOM 0 HB3 PRO B 66 0.308 3.106 -4.192 1.00 0.00 H new ATOM 0 HG2 PRO B 66 1.722 2.277 -6.695 1.00 0.00 H new ATOM 0 HG3 PRO B 66 0.545 1.394 -5.743 1.00 0.00 H new ATOM 0 HD2 PRO B 66 -0.042 2.743 -8.107 1.00 0.00 H new ATOM 0 HD3 PRO B 66 -1.235 2.297 -6.904 1.00 0.00 H new ATOM 1072 N SER B 67 2.093 6.440 -5.453 1.00 0.00 N ATOM 1073 CA SER B 67 3.175 7.309 -5.888 1.00 0.00 C ATOM 1074 C SER B 67 3.946 7.842 -4.686 1.00 0.00 C ATOM 1075 O SER B 67 3.372 8.057 -3.615 1.00 0.00 O ATOM 1076 CB SER B 67 2.626 8.469 -6.724 1.00 0.00 C ATOM 1077 OG SER B 67 1.766 8.001 -7.755 1.00 0.00 O ATOM 0 H SER B 67 1.742 6.641 -4.516 1.00 0.00 H new ATOM 0 HA SER B 67 3.857 6.727 -6.507 1.00 0.00 H new ATOM 0 HB2 SER B 67 2.082 9.159 -6.079 1.00 0.00 H new ATOM 0 HB3 SER B 67 3.453 9.027 -7.163 1.00 0.00 H new ATOM 0 HG SER B 67 1.429 8.763 -8.271 1.00 0.00 H new ATOM 1083 N TYR B 68 5.240 8.057 -4.869 1.00 0.00 N ATOM 1084 CA TYR B 68 6.109 8.491 -3.786 1.00 0.00 C ATOM 1085 C TYR B 68 6.618 9.904 -4.027 1.00 0.00 C ATOM 1086 O TYR B 68 7.167 10.210 -5.086 1.00 0.00 O ATOM 1087 CB TYR B 68 7.296 7.536 -3.644 1.00 0.00 C ATOM 1088 CG TYR B 68 8.340 7.999 -2.652 1.00 0.00 C ATOM 1089 CD1 TYR B 68 8.049 8.094 -1.297 1.00 0.00 C ATOM 1090 CD2 TYR B 68 9.613 8.352 -3.077 1.00 0.00 C ATOM 1091 CE1 TYR B 68 9.000 8.526 -0.392 1.00 0.00 C ATOM 1092 CE2 TYR B 68 10.567 8.787 -2.177 1.00 0.00 C ATOM 1093 CZ TYR B 68 10.257 8.872 -0.837 1.00 0.00 C ATOM 1094 OH TYR B 68 11.207 9.311 0.060 1.00 0.00 O ATOM 0 H TYR B 68 5.714 7.937 -5.764 1.00 0.00 H new ATOM 0 HA TYR B 68 5.526 8.484 -2.865 1.00 0.00 H new ATOM 0 HB2 TYR B 68 6.927 6.557 -3.338 1.00 0.00 H new ATOM 0 HB3 TYR B 68 7.766 7.409 -4.619 1.00 0.00 H new ATOM 0 HD1 TYR B 68 7.064 7.826 -0.945 1.00 0.00 H new ATOM 0 HD2 TYR B 68 9.862 8.286 -4.126 1.00 0.00 H new ATOM 0 HE1 TYR B 68 8.759 8.592 0.659 1.00 0.00 H new ATOM 0 HE2 TYR B 68 11.553 9.060 -2.523 1.00 0.00 H new ATOM 0 HH TYR B 68 12.056 8.854 -0.113 1.00 0.00 H new ATOM 1104 N ASN B 69 6.438 10.760 -3.038 1.00 0.00 N ATOM 1105 CA ASN B 69 6.982 12.106 -3.091 1.00 0.00 C ATOM 1106 C ASN B 69 8.192 12.220 -2.173 1.00 0.00 C ATOM 1107 O ASN B 69 8.081 12.066 -0.957 1.00 0.00 O ATOM 1108 CB ASN B 69 5.917 13.158 -2.736 1.00 0.00 C ATOM 1109 CG ASN B 69 5.115 12.826 -1.488 1.00 0.00 C ATOM 1110 OD1 ASN B 69 5.553 13.323 -0.347 1.00 0.00 O flip ATOM 1111 ND2 ASN B 69 4.093 12.150 -1.557 1.00 0.00 N flip ATOM 0 H ASN B 69 5.918 10.547 -2.186 1.00 0.00 H new ATOM 0 HA ASN B 69 7.302 12.303 -4.114 1.00 0.00 H new ATOM 0 HB2 ASN B 69 6.405 14.122 -2.596 1.00 0.00 H new ATOM 0 HB3 ASN B 69 5.233 13.266 -3.578 1.00 0.00 H new ATOM 0 HD21 ASN B 69 3.785 11.782 -2.457 1.00 0.00 H new ATOM 0 HD22 ASN B 69 3.552 11.956 -0.714 1.00 0.00 H new ATOM 1118 N PHE B 70 9.347 12.484 -2.773 1.00 0.00 N ATOM 1119 CA PHE B 70 10.610 12.556 -2.043 1.00 0.00 C ATOM 1120 C PHE B 70 10.606 13.732 -1.083 1.00 0.00 C ATOM 1121 O PHE B 70 11.206 13.675 -0.010 1.00 0.00 O ATOM 1122 CB PHE B 70 11.788 12.712 -3.011 1.00 0.00 C ATOM 1123 CG PHE B 70 12.020 11.535 -3.917 1.00 0.00 C ATOM 1124 CD1 PHE B 70 11.235 11.340 -5.040 1.00 0.00 C ATOM 1125 CD2 PHE B 70 13.037 10.631 -3.651 1.00 0.00 C ATOM 1126 CE1 PHE B 70 11.454 10.266 -5.878 1.00 0.00 C ATOM 1127 CE2 PHE B 70 13.260 9.554 -4.486 1.00 0.00 C ATOM 1128 CZ PHE B 70 12.467 9.372 -5.602 1.00 0.00 C ATOM 0 H PHE B 70 9.436 12.654 -3.775 1.00 0.00 H new ATOM 0 HA PHE B 70 10.721 11.628 -1.483 1.00 0.00 H new ATOM 0 HB2 PHE B 70 11.621 13.597 -3.624 1.00 0.00 H new ATOM 0 HB3 PHE B 70 12.694 12.891 -2.432 1.00 0.00 H new ATOM 0 HD1 PHE B 70 10.441 12.037 -5.263 1.00 0.00 H new ATOM 0 HD2 PHE B 70 13.662 10.771 -2.781 1.00 0.00 H new ATOM 0 HE1 PHE B 70 10.832 10.126 -6.750 1.00 0.00 H new ATOM 0 HE2 PHE B 70 14.053 8.855 -4.267 1.00 0.00 H new ATOM 0 HZ PHE B 70 12.640 8.531 -6.257 1.00 0.00 H new ATOM 1138 N ALA B 71 9.921 14.795 -1.487 1.00 0.00 N ATOM 1139 CA ALA B 71 9.872 16.030 -0.720 1.00 0.00 C ATOM 1140 C ALA B 71 9.413 15.782 0.709 1.00 0.00 C ATOM 1141 O ALA B 71 10.084 16.168 1.666 1.00 0.00 O ATOM 1142 CB ALA B 71 8.948 17.021 -1.403 1.00 0.00 C ATOM 0 H ALA B 71 9.385 14.824 -2.354 1.00 0.00 H new ATOM 0 HA ALA B 71 10.880 16.443 -0.676 1.00 0.00 H new ATOM 0 HB1 ALA B 71 8.914 17.945 -0.825 1.00 0.00 H new ATOM 0 HB2 ALA B 71 9.319 17.233 -2.406 1.00 0.00 H new ATOM 0 HB3 ALA B 71 7.946 16.598 -1.470 1.00 0.00 H new ATOM 1148 N GLU B 72 8.274 15.124 0.851 1.00 0.00 N ATOM 1149 CA GLU B 72 7.704 14.872 2.167 1.00 0.00 C ATOM 1150 C GLU B 72 7.887 13.417 2.562 1.00 0.00 C ATOM 1151 O GLU B 72 7.331 12.969 3.559 1.00 0.00 O ATOM 1152 CB GLU B 72 6.219 15.215 2.181 1.00 0.00 C ATOM 1153 CG GLU B 72 5.857 16.388 1.292 1.00 0.00 C ATOM 1154 CD GLU B 72 4.411 16.804 1.438 1.00 0.00 C ATOM 1155 OE1 GLU B 72 4.085 17.500 2.422 1.00 0.00 O ATOM 1156 OE2 GLU B 72 3.590 16.437 0.572 1.00 0.00 O ATOM 0 H GLU B 72 7.726 14.755 0.074 1.00 0.00 H new ATOM 0 HA GLU B 72 8.227 15.505 2.884 1.00 0.00 H new ATOM 0 HB2 GLU B 72 5.650 14.341 1.864 1.00 0.00 H new ATOM 0 HB3 GLU B 72 5.916 15.439 3.204 1.00 0.00 H new ATOM 0 HG2 GLU B 72 6.501 17.234 1.533 1.00 0.00 H new ATOM 0 HG3 GLU B 72 6.052 16.125 0.252 1.00 0.00 H new ATOM 1163 N ASN B 73 8.659 12.694 1.742 1.00 0.00 N ATOM 1164 CA ASN B 73 8.976 11.267 1.947 1.00 0.00 C ATOM 1165 C ASN B 73 7.721 10.444 2.238 1.00 0.00 C ATOM 1166 O ASN B 73 7.714 9.558 3.099 1.00 0.00 O ATOM 1167 CB ASN B 73 10.041 11.056 3.047 1.00 0.00 C ATOM 1168 CG ASN B 73 9.659 11.634 4.397 1.00 0.00 C ATOM 1169 OD1 ASN B 73 10.040 12.753 4.739 1.00 0.00 O ATOM 1170 ND2 ASN B 73 8.890 10.888 5.165 1.00 0.00 N ATOM 0 H ASN B 73 9.089 13.085 0.904 1.00 0.00 H new ATOM 0 HA ASN B 73 9.402 10.909 1.010 1.00 0.00 H new ATOM 0 HB2 ASN B 73 10.225 9.988 3.160 1.00 0.00 H new ATOM 0 HB3 ASN B 73 10.978 11.508 2.722 1.00 0.00 H new ATOM 0 HD21 ASN B 73 8.591 11.234 6.077 1.00 0.00 H new ATOM 0 HD22 ASN B 73 8.594 9.965 4.847 1.00 0.00 H new ATOM 1177 N ILE B 74 6.662 10.726 1.498 1.00 0.00 N ATOM 1178 CA ILE B 74 5.396 10.043 1.705 1.00 0.00 C ATOM 1179 C ILE B 74 5.001 9.216 0.485 1.00 0.00 C ATOM 1180 O ILE B 74 5.170 9.645 -0.659 1.00 0.00 O ATOM 1181 CB ILE B 74 4.292 11.060 2.064 1.00 0.00 C ATOM 1182 CG1 ILE B 74 4.590 11.645 3.446 1.00 0.00 C ATOM 1183 CG2 ILE B 74 2.911 10.418 2.032 1.00 0.00 C ATOM 1184 CD1 ILE B 74 3.898 12.953 3.730 1.00 0.00 C ATOM 0 H ILE B 74 6.653 11.421 0.751 1.00 0.00 H new ATOM 0 HA ILE B 74 5.517 9.352 2.540 1.00 0.00 H new ATOM 0 HB ILE B 74 4.288 11.858 1.321 1.00 0.00 H new ATOM 0 HG12 ILE B 74 4.296 10.920 4.205 1.00 0.00 H new ATOM 0 HG13 ILE B 74 5.666 11.789 3.542 1.00 0.00 H new ATOM 0 HG21 ILE B 74 2.158 11.162 2.290 1.00 0.00 H new ATOM 0 HG22 ILE B 74 2.712 10.032 1.032 1.00 0.00 H new ATOM 0 HG23 ILE B 74 2.873 9.600 2.751 1.00 0.00 H new ATOM 0 HD11 ILE B 74 4.164 13.296 4.730 1.00 0.00 H new ATOM 0 HD12 ILE B 74 4.210 13.696 2.996 1.00 0.00 H new ATOM 0 HD13 ILE B 74 2.819 12.814 3.670 1.00 0.00 H new ATOM 1196 N LEU B 75 4.504 8.017 0.750 1.00 0.00 N ATOM 1197 CA LEU B 75 4.041 7.116 -0.289 1.00 0.00 C ATOM 1198 C LEU B 75 2.522 7.051 -0.234 1.00 0.00 C ATOM 1199 O LEU B 75 1.948 6.459 0.676 1.00 0.00 O ATOM 1200 CB LEU B 75 4.672 5.722 -0.081 1.00 0.00 C ATOM 1201 CG LEU B 75 4.360 4.640 -1.133 1.00 0.00 C ATOM 1202 CD1 LEU B 75 2.959 4.075 -0.961 1.00 0.00 C ATOM 1203 CD2 LEU B 75 4.546 5.185 -2.540 1.00 0.00 C ATOM 0 H LEU B 75 4.411 7.643 1.694 1.00 0.00 H new ATOM 0 HA LEU B 75 4.341 7.476 -1.273 1.00 0.00 H new ATOM 0 HB2 LEU B 75 5.754 5.845 -0.035 1.00 0.00 H new ATOM 0 HB3 LEU B 75 4.352 5.349 0.892 1.00 0.00 H new ATOM 0 HG LEU B 75 5.066 3.824 -0.979 1.00 0.00 H new ATOM 0 HD11 LEU B 75 2.777 3.315 -1.721 1.00 0.00 H new ATOM 0 HD12 LEU B 75 2.866 3.628 0.029 1.00 0.00 H new ATOM 0 HD13 LEU B 75 2.228 4.877 -1.067 1.00 0.00 H new ATOM 0 HD21 LEU B 75 4.320 4.404 -3.266 1.00 0.00 H new ATOM 0 HD22 LEU B 75 3.874 6.029 -2.695 1.00 0.00 H new ATOM 0 HD23 LEU B 75 5.577 5.513 -2.670 1.00 0.00 H new ATOM 1215 N TYR B 76 1.869 7.667 -1.196 1.00 0.00 N ATOM 1216 CA TYR B 76 0.424 7.691 -1.204 1.00 0.00 C ATOM 1217 C TYR B 76 -0.098 6.545 -2.056 1.00 0.00 C ATOM 1218 O TYR B 76 0.435 6.259 -3.129 1.00 0.00 O ATOM 1219 CB TYR B 76 -0.077 9.059 -1.688 1.00 0.00 C ATOM 1220 CG TYR B 76 -0.719 9.072 -3.051 1.00 0.00 C ATOM 1221 CD1 TYR B 76 -2.078 8.851 -3.195 1.00 0.00 C ATOM 1222 CD2 TYR B 76 0.032 9.326 -4.184 1.00 0.00 C ATOM 1223 CE1 TYR B 76 -2.676 8.886 -4.438 1.00 0.00 C ATOM 1224 CE2 TYR B 76 -0.555 9.360 -5.432 1.00 0.00 C ATOM 1225 CZ TYR B 76 -1.911 9.140 -5.554 1.00 0.00 C ATOM 1226 OH TYR B 76 -2.506 9.182 -6.794 1.00 0.00 O ATOM 0 H TYR B 76 2.312 8.153 -1.976 1.00 0.00 H new ATOM 0 HA TYR B 76 0.041 7.551 -0.193 1.00 0.00 H new ATOM 0 HB2 TYR B 76 -0.797 9.439 -0.963 1.00 0.00 H new ATOM 0 HB3 TYR B 76 0.764 9.752 -1.696 1.00 0.00 H new ATOM 0 HD1 TYR B 76 -2.679 8.648 -2.321 1.00 0.00 H new ATOM 0 HD2 TYR B 76 1.094 9.500 -4.091 1.00 0.00 H new ATOM 0 HE1 TYR B 76 -3.738 8.715 -4.535 1.00 0.00 H new ATOM 0 HE2 TYR B 76 0.044 9.558 -6.309 1.00 0.00 H new ATOM 0 HH TYR B 76 -2.347 8.336 -7.262 1.00 0.00 H new ATOM 1236 N ILE B 77 -1.118 5.868 -1.551 1.00 0.00 N ATOM 1237 CA ILE B 77 -1.655 4.687 -2.207 1.00 0.00 C ATOM 1238 C ILE B 77 -2.775 5.055 -3.165 1.00 0.00 C ATOM 1239 O ILE B 77 -2.805 4.609 -4.311 1.00 0.00 O ATOM 1240 CB ILE B 77 -2.201 3.677 -1.174 1.00 0.00 C ATOM 1241 CG1 ILE B 77 -1.066 3.113 -0.310 1.00 0.00 C ATOM 1242 CG2 ILE B 77 -2.963 2.557 -1.869 1.00 0.00 C ATOM 1243 CD1 ILE B 77 -0.052 2.300 -1.086 1.00 0.00 C ATOM 0 H ILE B 77 -1.592 6.119 -0.684 1.00 0.00 H new ATOM 0 HA ILE B 77 -0.835 4.232 -2.763 1.00 0.00 H new ATOM 0 HB ILE B 77 -2.894 4.202 -0.517 1.00 0.00 H new ATOM 0 HG12 ILE B 77 -0.554 3.939 0.184 1.00 0.00 H new ATOM 0 HG13 ILE B 77 -1.495 2.489 0.474 1.00 0.00 H new ATOM 0 HG21 ILE B 77 -3.339 1.856 -1.124 1.00 0.00 H new ATOM 0 HG22 ILE B 77 -3.800 2.978 -2.427 1.00 0.00 H new ATOM 0 HG23 ILE B 77 -2.296 2.034 -2.555 1.00 0.00 H new ATOM 0 HD11 ILE B 77 0.719 1.936 -0.407 1.00 0.00 H new ATOM 0 HD12 ILE B 77 -0.549 1.453 -1.558 1.00 0.00 H new ATOM 0 HD13 ILE B 77 0.406 2.925 -1.852 1.00 0.00 H new ATOM 1255 N ASN B 78 -3.696 5.867 -2.684 1.00 0.00 N ATOM 1256 CA ASN B 78 -4.892 6.182 -3.436 1.00 0.00 C ATOM 1257 C ASN B 78 -5.485 7.478 -2.907 1.00 0.00 C ATOM 1258 O ASN B 78 -4.996 8.024 -1.918 1.00 0.00 O ATOM 1259 CB ASN B 78 -5.891 5.031 -3.271 1.00 0.00 C ATOM 1260 CG ASN B 78 -6.798 4.846 -4.466 1.00 0.00 C ATOM 1261 OD1 ASN B 78 -7.135 5.797 -5.166 1.00 0.00 O ATOM 1262 ND2 ASN B 78 -7.200 3.608 -4.703 1.00 0.00 N ATOM 0 H ASN B 78 -3.637 6.321 -1.773 1.00 0.00 H new ATOM 0 HA ASN B 78 -4.658 6.308 -4.493 1.00 0.00 H new ATOM 0 HB2 ASN B 78 -5.342 4.106 -3.095 1.00 0.00 H new ATOM 0 HB3 ASN B 78 -6.501 5.213 -2.386 1.00 0.00 H new ATOM 0 HD21 ASN B 78 -7.815 3.414 -5.494 1.00 0.00 H new ATOM 0 HD22 ASN B 78 -6.895 2.848 -4.095 1.00 0.00 H new ATOM 1269 N GLY B 79 -6.541 7.961 -3.547 1.00 0.00 N ATOM 1270 CA GLY B 79 -7.240 9.128 -3.046 1.00 0.00 C ATOM 1271 C GLY B 79 -8.092 8.784 -1.841 1.00 0.00 C ATOM 1272 O GLY B 79 -8.910 9.583 -1.388 1.00 0.00 O ATOM 0 H GLY B 79 -6.926 7.566 -4.405 1.00 0.00 H new ATOM 0 HA2 GLY B 79 -6.518 9.899 -2.776 1.00 0.00 H new ATOM 0 HA3 GLY B 79 -7.870 9.543 -3.833 1.00 0.00 H new ATOM 1276 N LYS B 80 -7.902 7.570 -1.342 1.00 0.00 N ATOM 1277 CA LYS B 80 -8.609 7.087 -0.171 1.00 0.00 C ATOM 1278 C LYS B 80 -7.713 7.211 1.056 1.00 0.00 C ATOM 1279 O LYS B 80 -8.178 7.538 2.146 1.00 0.00 O ATOM 1280 CB LYS B 80 -9.012 5.623 -0.368 1.00 0.00 C ATOM 1281 CG LYS B 80 -9.565 5.321 -1.753 1.00 0.00 C ATOM 1282 CD LYS B 80 -10.883 6.040 -2.013 1.00 0.00 C ATOM 1283 CE LYS B 80 -11.415 5.743 -3.408 1.00 0.00 C ATOM 1284 NZ LYS B 80 -12.708 6.427 -3.673 1.00 0.00 N ATOM 0 H LYS B 80 -7.251 6.894 -1.741 1.00 0.00 H new ATOM 0 HA LYS B 80 -9.508 7.687 -0.026 1.00 0.00 H new ATOM 0 HB2 LYS B 80 -8.144 4.989 -0.187 1.00 0.00 H new ATOM 0 HB3 LYS B 80 -9.761 5.358 0.378 1.00 0.00 H new ATOM 0 HG2 LYS B 80 -8.836 5.618 -2.507 1.00 0.00 H new ATOM 0 HG3 LYS B 80 -9.712 4.246 -1.858 1.00 0.00 H new ATOM 0 HD2 LYS B 80 -11.619 5.734 -1.269 1.00 0.00 H new ATOM 0 HD3 LYS B 80 -10.741 7.115 -1.898 1.00 0.00 H new ATOM 0 HE2 LYS B 80 -10.681 6.058 -4.150 1.00 0.00 H new ATOM 0 HE3 LYS B 80 -11.545 4.667 -3.524 1.00 0.00 H new ATOM 0 HZ1 LYS B 80 -13.032 6.196 -4.634 1.00 0.00 H new ATOM 0 HZ2 LYS B 80 -13.417 6.108 -2.982 1.00 0.00 H new ATOM 0 HZ3 LYS B 80 -12.580 7.456 -3.588 1.00 0.00 H new ATOM 1298 N LEU B 81 -6.421 6.947 0.864 1.00 0.00 N ATOM 1299 CA LEU B 81 -5.448 7.028 1.946 1.00 0.00 C ATOM 1300 C LEU B 81 -4.014 7.108 1.422 1.00 0.00 C ATOM 1301 O LEU B 81 -3.707 6.665 0.307 1.00 0.00 O ATOM 1302 CB LEU B 81 -5.600 5.858 2.933 1.00 0.00 C ATOM 1303 CG LEU B 81 -5.850 4.469 2.332 1.00 0.00 C ATOM 1304 CD1 LEU B 81 -4.698 4.019 1.453 1.00 0.00 C ATOM 1305 CD2 LEU B 81 -6.079 3.467 3.444 1.00 0.00 C ATOM 0 H LEU B 81 -6.025 6.674 -0.036 1.00 0.00 H new ATOM 0 HA LEU B 81 -5.656 7.953 2.483 1.00 0.00 H new ATOM 0 HB2 LEU B 81 -4.696 5.807 3.540 1.00 0.00 H new ATOM 0 HB3 LEU B 81 -6.424 6.089 3.608 1.00 0.00 H new ATOM 0 HG LEU B 81 -6.738 4.530 1.702 1.00 0.00 H new ATOM 0 HD11 LEU B 81 -4.915 3.031 1.047 1.00 0.00 H new ATOM 0 HD12 LEU B 81 -4.567 4.727 0.635 1.00 0.00 H new ATOM 0 HD13 LEU B 81 -3.784 3.976 2.045 1.00 0.00 H new ATOM 0 HD21 LEU B 81 -6.256 2.481 3.014 1.00 0.00 H new ATOM 0 HD22 LEU B 81 -5.200 3.430 4.087 1.00 0.00 H new ATOM 0 HD23 LEU B 81 -6.946 3.768 4.032 1.00 0.00 H new ATOM 1317 N SER B 82 -3.153 7.707 2.224 1.00 0.00 N ATOM 1318 CA SER B 82 -1.745 7.827 1.903 1.00 0.00 C ATOM 1319 C SER B 82 -0.901 7.347 3.080 1.00 0.00 C ATOM 1320 O SER B 82 -1.301 7.491 4.238 1.00 0.00 O ATOM 1321 CB SER B 82 -1.416 9.278 1.560 1.00 0.00 C ATOM 1322 OG SER B 82 -0.035 9.454 1.317 1.00 0.00 O ATOM 0 H SER B 82 -3.412 8.124 3.118 1.00 0.00 H new ATOM 0 HA SER B 82 -1.516 7.204 1.038 1.00 0.00 H new ATOM 0 HB2 SER B 82 -1.983 9.582 0.680 1.00 0.00 H new ATOM 0 HB3 SER B 82 -1.728 9.926 2.379 1.00 0.00 H new ATOM 0 HG SER B 82 0.142 10.393 1.099 1.00 0.00 H new ATOM 1328 N ILE B 83 0.259 6.779 2.786 1.00 0.00 N ATOM 1329 CA ILE B 83 1.104 6.191 3.812 1.00 0.00 C ATOM 1330 C ILE B 83 2.384 7.005 3.999 1.00 0.00 C ATOM 1331 O ILE B 83 3.279 6.984 3.152 1.00 0.00 O ATOM 1332 CB ILE B 83 1.474 4.731 3.461 1.00 0.00 C ATOM 1333 CG1 ILE B 83 0.209 3.887 3.257 1.00 0.00 C ATOM 1334 CG2 ILE B 83 2.351 4.126 4.547 1.00 0.00 C ATOM 1335 CD1 ILE B 83 -0.697 3.832 4.471 1.00 0.00 C ATOM 0 H ILE B 83 0.637 6.713 1.841 1.00 0.00 H new ATOM 0 HA ILE B 83 0.536 6.199 4.742 1.00 0.00 H new ATOM 0 HB ILE B 83 2.037 4.735 2.528 1.00 0.00 H new ATOM 0 HG12 ILE B 83 -0.353 4.291 2.415 1.00 0.00 H new ATOM 0 HG13 ILE B 83 0.501 2.872 2.988 1.00 0.00 H new ATOM 0 HG21 ILE B 83 2.601 3.099 4.282 1.00 0.00 H new ATOM 0 HG22 ILE B 83 3.267 4.709 4.642 1.00 0.00 H new ATOM 0 HG23 ILE B 83 1.814 4.136 5.496 1.00 0.00 H new ATOM 0 HD11 ILE B 83 -1.569 3.217 4.247 1.00 0.00 H new ATOM 0 HD12 ILE B 83 -0.154 3.399 5.311 1.00 0.00 H new ATOM 0 HD13 ILE B 83 -1.021 4.840 4.729 1.00 0.00 H new ATOM 1347 N PRO B 84 2.484 7.750 5.107 1.00 0.00 N ATOM 1348 CA PRO B 84 3.683 8.518 5.420 1.00 0.00 C ATOM 1349 C PRO B 84 4.816 7.620 5.907 1.00 0.00 C ATOM 1350 O PRO B 84 4.612 6.735 6.742 1.00 0.00 O ATOM 1351 CB PRO B 84 3.219 9.469 6.519 1.00 0.00 C ATOM 1352 CG PRO B 84 2.085 8.767 7.184 1.00 0.00 C ATOM 1353 CD PRO B 84 1.437 7.902 6.135 1.00 0.00 C ATOM 0 HA PRO B 84 4.088 9.037 4.551 1.00 0.00 H new ATOM 0 HB2 PRO B 84 4.023 9.678 7.225 1.00 0.00 H new ATOM 0 HB3 PRO B 84 2.902 10.426 6.105 1.00 0.00 H new ATOM 0 HG2 PRO B 84 2.440 8.163 8.019 1.00 0.00 H new ATOM 0 HG3 PRO B 84 1.371 9.483 7.590 1.00 0.00 H new ATOM 0 HD2 PRO B 84 1.134 6.938 6.543 1.00 0.00 H new ATOM 0 HD3 PRO B 84 0.541 8.371 5.727 1.00 0.00 H new ATOM 1361 N LEU B 85 6.009 7.847 5.380 1.00 0.00 N ATOM 1362 CA LEU B 85 7.148 6.995 5.683 1.00 0.00 C ATOM 1363 C LEU B 85 8.069 7.667 6.696 1.00 0.00 C ATOM 1364 O LEU B 85 8.076 8.891 6.823 1.00 0.00 O ATOM 1365 CB LEU B 85 7.908 6.686 4.391 1.00 0.00 C ATOM 1366 CG LEU B 85 7.067 6.043 3.286 1.00 0.00 C ATOM 1367 CD1 LEU B 85 7.891 5.873 2.024 1.00 0.00 C ATOM 1368 CD2 LEU B 85 6.514 4.701 3.746 1.00 0.00 C ATOM 0 H LEU B 85 6.214 8.614 4.740 1.00 0.00 H new ATOM 0 HA LEU B 85 6.790 6.064 6.122 1.00 0.00 H new ATOM 0 HB2 LEU B 85 8.337 7.612 4.009 1.00 0.00 H new ATOM 0 HB3 LEU B 85 8.740 6.023 4.626 1.00 0.00 H new ATOM 0 HG LEU B 85 6.228 6.702 3.065 1.00 0.00 H new ATOM 0 HD11 LEU B 85 7.278 5.414 1.248 1.00 0.00 H new ATOM 0 HD12 LEU B 85 8.239 6.848 1.683 1.00 0.00 H new ATOM 0 HD13 LEU B 85 8.749 5.234 2.233 1.00 0.00 H new ATOM 0 HD21 LEU B 85 5.919 4.259 2.947 1.00 0.00 H new ATOM 0 HD22 LEU B 85 7.339 4.034 3.995 1.00 0.00 H new ATOM 0 HD23 LEU B 85 5.888 4.848 4.626 1.00 0.00 H new ATOM 1380 N PRO B 86 8.842 6.876 7.455 1.00 0.00 N ATOM 1381 CA PRO B 86 9.802 7.415 8.417 1.00 0.00 C ATOM 1382 C PRO B 86 10.971 8.109 7.725 1.00 0.00 C ATOM 1383 O PRO B 86 11.466 7.645 6.696 1.00 0.00 O ATOM 1384 CB PRO B 86 10.281 6.182 9.186 1.00 0.00 C ATOM 1385 CG PRO B 86 10.040 5.039 8.265 1.00 0.00 C ATOM 1386 CD PRO B 86 8.832 5.401 7.449 1.00 0.00 C ATOM 0 HA PRO B 86 9.356 8.174 9.060 1.00 0.00 H new ATOM 0 HB2 PRO B 86 11.336 6.264 9.446 1.00 0.00 H new ATOM 0 HB3 PRO B 86 9.731 6.060 10.119 1.00 0.00 H new ATOM 0 HG2 PRO B 86 10.905 4.867 7.624 1.00 0.00 H new ATOM 0 HG3 PRO B 86 9.870 4.119 8.824 1.00 0.00 H new ATOM 0 HD2 PRO B 86 8.898 5.003 6.436 1.00 0.00 H new ATOM 0 HD3 PRO B 86 7.917 5.004 7.889 1.00 0.00 H new ATOM 1394 N ARG B 87 11.420 9.210 8.311 1.00 0.00 N ATOM 1395 CA ARG B 87 12.488 10.019 7.729 1.00 0.00 C ATOM 1396 C ARG B 87 13.848 9.396 8.020 1.00 0.00 C ATOM 1397 O ARG B 87 14.881 9.888 7.568 1.00 0.00 O ATOM 1398 CB ARG B 87 12.451 11.454 8.276 1.00 0.00 C ATOM 1399 CG ARG B 87 11.330 12.321 7.711 1.00 0.00 C ATOM 1400 CD ARG B 87 9.951 11.821 8.114 1.00 0.00 C ATOM 1401 NE ARG B 87 9.770 11.805 9.564 1.00 0.00 N ATOM 1402 CZ ARG B 87 8.916 11.004 10.201 1.00 0.00 C ATOM 1403 NH1 ARG B 87 8.154 10.157 9.516 1.00 0.00 N ATOM 1404 NH2 ARG B 87 8.820 11.061 11.522 1.00 0.00 N ATOM 0 H ARG B 87 11.060 9.568 9.196 1.00 0.00 H new ATOM 0 HA ARG B 87 12.332 10.051 6.651 1.00 0.00 H new ATOM 0 HB2 ARG B 87 12.349 11.413 9.360 1.00 0.00 H new ATOM 0 HB3 ARG B 87 13.406 11.934 8.064 1.00 0.00 H new ATOM 0 HG2 ARG B 87 11.457 13.346 8.058 1.00 0.00 H new ATOM 0 HG3 ARG B 87 11.403 12.341 6.624 1.00 0.00 H new ATOM 0 HD2 ARG B 87 9.190 12.457 7.662 1.00 0.00 H new ATOM 0 HD3 ARG B 87 9.802 10.816 7.720 1.00 0.00 H new ATOM 0 HE ARG B 87 10.332 12.447 10.123 1.00 0.00 H new ATOM 0 HH11 ARG B 87 8.222 10.118 8.499 1.00 0.00 H new ATOM 0 HH12 ARG B 87 7.502 9.546 10.007 1.00 0.00 H new ATOM 0 HH21 ARG B 87 9.399 11.716 12.048 1.00 0.00 H new ATOM 0 HH22 ARG B 87 8.168 10.450 12.013 1.00 0.00 H new ATOM 1418 N ASP B 88 13.833 8.309 8.777 1.00 0.00 N ATOM 1419 CA ASP B 88 15.057 7.606 9.139 1.00 0.00 C ATOM 1420 C ASP B 88 15.426 6.594 8.057 1.00 0.00 C ATOM 1421 O ASP B 88 16.515 6.021 8.059 1.00 0.00 O ATOM 1422 CB ASP B 88 14.874 6.904 10.487 1.00 0.00 C ATOM 1423 CG ASP B 88 16.127 6.198 10.965 1.00 0.00 C ATOM 1424 OD1 ASP B 88 17.138 6.886 11.218 1.00 0.00 O ATOM 1425 OD2 ASP B 88 16.105 4.955 11.095 1.00 0.00 O ATOM 0 H ASP B 88 12.982 7.892 9.155 1.00 0.00 H new ATOM 0 HA ASP B 88 15.869 8.328 9.226 1.00 0.00 H new ATOM 0 HB2 ASP B 88 14.570 7.638 11.234 1.00 0.00 H new ATOM 0 HB3 ASP B 88 14.064 6.179 10.405 1.00 0.00 H new ATOM 1430 N ILE B 89 14.511 6.395 7.121 1.00 0.00 N ATOM 1431 CA ILE B 89 14.715 5.441 6.043 1.00 0.00 C ATOM 1432 C ILE B 89 14.807 6.161 4.705 1.00 0.00 C ATOM 1433 O ILE B 89 14.001 7.047 4.411 1.00 0.00 O ATOM 1434 CB ILE B 89 13.569 4.408 5.993 1.00 0.00 C ATOM 1435 CG1 ILE B 89 13.479 3.667 7.327 1.00 0.00 C ATOM 1436 CG2 ILE B 89 13.771 3.423 4.846 1.00 0.00 C ATOM 1437 CD1 ILE B 89 12.377 2.636 7.376 1.00 0.00 C ATOM 0 H ILE B 89 13.616 6.884 7.087 1.00 0.00 H new ATOM 0 HA ILE B 89 15.651 4.917 6.236 1.00 0.00 H new ATOM 0 HB ILE B 89 12.633 4.937 5.817 1.00 0.00 H new ATOM 0 HG12 ILE B 89 14.432 3.177 7.525 1.00 0.00 H new ATOM 0 HG13 ILE B 89 13.322 4.392 8.125 1.00 0.00 H new ATOM 0 HG21 ILE B 89 12.950 2.706 4.833 1.00 0.00 H new ATOM 0 HG22 ILE B 89 13.794 3.965 3.901 1.00 0.00 H new ATOM 0 HG23 ILE B 89 14.713 2.893 4.983 1.00 0.00 H new ATOM 0 HD11 ILE B 89 12.375 2.152 8.353 1.00 0.00 H new ATOM 0 HD12 ILE B 89 11.416 3.123 7.210 1.00 0.00 H new ATOM 0 HD13 ILE B 89 12.544 1.888 6.601 1.00 0.00 H new ATOM 1449 N VAL B 90 15.790 5.784 3.903 1.00 0.00 N ATOM 1450 CA VAL B 90 15.959 6.364 2.582 1.00 0.00 C ATOM 1451 C VAL B 90 15.121 5.589 1.580 1.00 0.00 C ATOM 1452 O VAL B 90 15.396 4.427 1.293 1.00 0.00 O ATOM 1453 CB VAL B 90 17.436 6.366 2.133 1.00 0.00 C ATOM 1454 CG1 VAL B 90 17.572 6.942 0.731 1.00 0.00 C ATOM 1455 CG2 VAL B 90 18.291 7.149 3.118 1.00 0.00 C ATOM 0 H VAL B 90 16.484 5.077 4.145 1.00 0.00 H new ATOM 0 HA VAL B 90 15.629 7.402 2.629 1.00 0.00 H new ATOM 0 HB VAL B 90 17.789 5.335 2.113 1.00 0.00 H new ATOM 0 HG11 VAL B 90 18.621 6.934 0.435 1.00 0.00 H new ATOM 0 HG12 VAL B 90 16.993 6.339 0.032 1.00 0.00 H new ATOM 0 HG13 VAL B 90 17.200 7.966 0.721 1.00 0.00 H new ATOM 0 HG21 VAL B 90 19.329 7.140 2.786 1.00 0.00 H new ATOM 0 HG22 VAL B 90 17.936 8.178 3.170 1.00 0.00 H new ATOM 0 HG23 VAL B 90 18.222 6.691 4.105 1.00 0.00 H new ATOM 1465 N VAL B 91 14.091 6.229 1.064 1.00 0.00 N ATOM 1466 CA VAL B 91 13.138 5.553 0.207 1.00 0.00 C ATOM 1467 C VAL B 91 13.159 6.134 -1.197 1.00 0.00 C ATOM 1468 O VAL B 91 13.178 7.349 -1.382 1.00 0.00 O ATOM 1469 CB VAL B 91 11.713 5.641 0.793 1.00 0.00 C ATOM 1470 CG1 VAL B 91 10.718 4.918 -0.093 1.00 0.00 C ATOM 1471 CG2 VAL B 91 11.680 5.082 2.208 1.00 0.00 C ATOM 0 H VAL B 91 13.892 7.217 1.223 1.00 0.00 H new ATOM 0 HA VAL B 91 13.430 4.504 0.152 1.00 0.00 H new ATOM 0 HB VAL B 91 11.427 6.692 0.833 1.00 0.00 H new ATOM 0 HG11 VAL B 91 9.721 4.994 0.341 1.00 0.00 H new ATOM 0 HG12 VAL B 91 10.717 5.371 -1.084 1.00 0.00 H new ATOM 0 HG13 VAL B 91 10.999 3.868 -0.174 1.00 0.00 H new ATOM 0 HG21 VAL B 91 10.667 5.153 2.604 1.00 0.00 H new ATOM 0 HG22 VAL B 91 11.992 4.038 2.194 1.00 0.00 H new ATOM 0 HG23 VAL B 91 12.358 5.654 2.841 1.00 0.00 H new ATOM 1481 N ASN B 92 13.189 5.248 -2.175 1.00 0.00 N ATOM 1482 CA ASN B 92 13.157 5.626 -3.578 1.00 0.00 C ATOM 1483 C ASN B 92 12.299 4.638 -4.347 1.00 0.00 C ATOM 1484 O ASN B 92 12.076 3.521 -3.884 1.00 0.00 O ATOM 1485 CB ASN B 92 14.566 5.670 -4.180 1.00 0.00 C ATOM 1486 CG ASN B 92 15.599 4.933 -3.355 1.00 0.00 C ATOM 1487 OD1 ASN B 92 15.584 3.614 -3.435 1.00 0.00 O flip ATOM 1488 ND2 ASN B 92 16.376 5.543 -2.618 1.00 0.00 N flip ATOM 0 H ASN B 92 13.236 4.241 -2.019 1.00 0.00 H new ATOM 0 HA ASN B 92 12.731 6.626 -3.653 1.00 0.00 H new ATOM 0 HB2 ASN B 92 14.538 5.240 -5.181 1.00 0.00 H new ATOM 0 HB3 ASN B 92 14.874 6.710 -4.288 1.00 0.00 H new ATOM 0 HD21 ASN B 92 16.355 6.562 -2.586 1.00 0.00 H new ATOM 0 HD22 ASN B 92 17.040 5.029 -2.040 1.00 0.00 H new ATOM 1495 N ALA B 93 11.846 5.044 -5.530 1.00 0.00 N ATOM 1496 CA ALA B 93 10.939 4.232 -6.345 1.00 0.00 C ATOM 1497 C ALA B 93 11.580 2.912 -6.750 1.00 0.00 C ATOM 1498 O ALA B 93 10.894 1.947 -7.084 1.00 0.00 O ATOM 1499 CB ALA B 93 10.519 5.014 -7.579 1.00 0.00 C ATOM 0 H ALA B 93 12.094 5.939 -5.951 1.00 0.00 H new ATOM 0 HA ALA B 93 10.059 4.000 -5.745 1.00 0.00 H new ATOM 0 HB1 ALA B 93 9.845 4.407 -8.183 1.00 0.00 H new ATOM 0 HB2 ALA B 93 10.010 5.928 -7.274 1.00 0.00 H new ATOM 0 HB3 ALA B 93 11.401 5.269 -8.166 1.00 0.00 H new ATOM 1505 N ALA B 94 12.899 2.878 -6.700 1.00 0.00 N ATOM 1506 CA ALA B 94 13.656 1.693 -7.083 1.00 0.00 C ATOM 1507 C ALA B 94 13.734 0.692 -5.935 1.00 0.00 C ATOM 1508 O ALA B 94 14.118 -0.462 -6.125 1.00 0.00 O ATOM 1509 CB ALA B 94 15.052 2.093 -7.523 1.00 0.00 C ATOM 0 H ALA B 94 13.475 3.663 -6.396 1.00 0.00 H new ATOM 0 HA ALA B 94 13.139 1.212 -7.913 1.00 0.00 H new ATOM 0 HB1 ALA B 94 15.613 1.203 -7.808 1.00 0.00 H new ATOM 0 HB2 ALA B 94 14.985 2.768 -8.376 1.00 0.00 H new ATOM 0 HB3 ALA B 94 15.562 2.596 -6.701 1.00 0.00 H new ATOM 1515 N ASP B 95 13.366 1.142 -4.746 1.00 0.00 N ATOM 1516 CA ASP B 95 13.433 0.306 -3.552 1.00 0.00 C ATOM 1517 C ASP B 95 12.025 -0.044 -3.087 1.00 0.00 C ATOM 1518 O ASP B 95 11.801 -1.052 -2.419 1.00 0.00 O ATOM 1519 CB ASP B 95 14.199 1.045 -2.455 1.00 0.00 C ATOM 1520 CG ASP B 95 14.616 0.156 -1.302 1.00 0.00 C ATOM 1521 OD1 ASP B 95 15.213 -0.915 -1.552 1.00 0.00 O ATOM 1522 OD2 ASP B 95 14.407 0.554 -0.140 1.00 0.00 O ATOM 0 H ASP B 95 13.016 2.085 -4.579 1.00 0.00 H new ATOM 0 HA ASP B 95 13.959 -0.621 -3.781 1.00 0.00 H new ATOM 0 HB2 ASP B 95 15.088 1.503 -2.889 1.00 0.00 H new ATOM 0 HB3 ASP B 95 13.578 1.855 -2.072 1.00 0.00 H new ATOM 1527 N ILE B 96 11.080 0.809 -3.464 1.00 0.00 N ATOM 1528 CA ILE B 96 9.670 0.606 -3.169 1.00 0.00 C ATOM 1529 C ILE B 96 9.101 -0.560 -3.973 1.00 0.00 C ATOM 1530 O ILE B 96 9.101 -0.538 -5.206 1.00 0.00 O ATOM 1531 CB ILE B 96 8.882 1.887 -3.495 1.00 0.00 C ATOM 1532 CG1 ILE B 96 9.295 3.013 -2.558 1.00 0.00 C ATOM 1533 CG2 ILE B 96 7.381 1.650 -3.407 1.00 0.00 C ATOM 1534 CD1 ILE B 96 8.840 4.372 -3.029 1.00 0.00 C ATOM 0 H ILE B 96 11.273 1.664 -3.985 1.00 0.00 H new ATOM 0 HA ILE B 96 9.575 0.372 -2.109 1.00 0.00 H new ATOM 0 HB ILE B 96 9.117 2.174 -4.520 1.00 0.00 H new ATOM 0 HG12 ILE B 96 8.884 2.822 -1.567 1.00 0.00 H new ATOM 0 HG13 ILE B 96 10.380 3.014 -2.458 1.00 0.00 H new ATOM 0 HG21 ILE B 96 6.852 2.574 -3.643 1.00 0.00 H new ATOM 0 HG22 ILE B 96 7.093 0.875 -4.118 1.00 0.00 H new ATOM 0 HG23 ILE B 96 7.122 1.331 -2.398 1.00 0.00 H new ATOM 0 HD11 ILE B 96 9.166 5.131 -2.318 1.00 0.00 H new ATOM 0 HD12 ILE B 96 9.273 4.582 -4.007 1.00 0.00 H new ATOM 0 HD13 ILE B 96 7.753 4.386 -3.103 1.00 0.00 H new ATOM 1546 N LYS B 97 8.635 -1.580 -3.270 1.00 0.00 N ATOM 1547 CA LYS B 97 8.039 -2.748 -3.904 1.00 0.00 C ATOM 1548 C LYS B 97 6.547 -2.815 -3.574 1.00 0.00 C ATOM 1549 O LYS B 97 6.170 -3.113 -2.440 1.00 0.00 O ATOM 1550 CB LYS B 97 8.737 -4.026 -3.426 1.00 0.00 C ATOM 1551 CG LYS B 97 10.255 -3.917 -3.335 1.00 0.00 C ATOM 1552 CD LYS B 97 10.894 -3.495 -4.654 1.00 0.00 C ATOM 1553 CE LYS B 97 10.617 -4.488 -5.772 1.00 0.00 C ATOM 1554 NZ LYS B 97 11.316 -4.112 -7.029 1.00 0.00 N ATOM 0 H LYS B 97 8.658 -1.623 -2.251 1.00 0.00 H new ATOM 0 HA LYS B 97 8.163 -2.663 -4.984 1.00 0.00 H new ATOM 0 HB2 LYS B 97 8.345 -4.295 -2.445 1.00 0.00 H new ATOM 0 HB3 LYS B 97 8.483 -4.840 -4.105 1.00 0.00 H new ATOM 0 HG2 LYS B 97 10.518 -3.196 -2.561 1.00 0.00 H new ATOM 0 HG3 LYS B 97 10.667 -4.878 -3.028 1.00 0.00 H new ATOM 0 HD2 LYS B 97 10.516 -2.514 -4.941 1.00 0.00 H new ATOM 0 HD3 LYS B 97 11.971 -3.395 -4.518 1.00 0.00 H new ATOM 0 HE2 LYS B 97 10.936 -5.483 -5.462 1.00 0.00 H new ATOM 0 HE3 LYS B 97 9.544 -4.540 -5.954 1.00 0.00 H new ATOM 0 HZ1 LYS B 97 11.103 -4.812 -7.768 1.00 0.00 H new ATOM 0 HZ2 LYS B 97 10.993 -3.173 -7.339 1.00 0.00 H new ATOM 0 HZ3 LYS B 97 12.342 -4.087 -6.861 1.00 0.00 H new ATOM 1568 N ILE B 98 5.706 -2.520 -4.558 1.00 0.00 N ATOM 1569 CA ILE B 98 4.260 -2.510 -4.354 1.00 0.00 C ATOM 1570 C ILE B 98 3.586 -3.667 -5.085 1.00 0.00 C ATOM 1571 O ILE B 98 3.692 -3.798 -6.309 1.00 0.00 O ATOM 1572 CB ILE B 98 3.641 -1.180 -4.830 1.00 0.00 C ATOM 1573 CG1 ILE B 98 4.282 -0.011 -4.086 1.00 0.00 C ATOM 1574 CG2 ILE B 98 2.133 -1.180 -4.624 1.00 0.00 C ATOM 1575 CD1 ILE B 98 3.719 1.334 -4.476 1.00 0.00 C ATOM 0 H ILE B 98 5.999 -2.284 -5.506 1.00 0.00 H new ATOM 0 HA ILE B 98 4.090 -2.622 -3.283 1.00 0.00 H new ATOM 0 HB ILE B 98 3.835 -1.069 -5.897 1.00 0.00 H new ATOM 0 HG12 ILE B 98 4.147 -0.155 -3.014 1.00 0.00 H new ATOM 0 HG13 ILE B 98 5.355 -0.015 -4.275 1.00 0.00 H new ATOM 0 HG21 ILE B 98 1.719 -0.232 -4.967 1.00 0.00 H new ATOM 0 HG22 ILE B 98 1.688 -1.997 -5.192 1.00 0.00 H new ATOM 0 HG23 ILE B 98 1.910 -1.311 -3.565 1.00 0.00 H new ATOM 0 HD11 ILE B 98 4.221 2.117 -3.908 1.00 0.00 H new ATOM 0 HD12 ILE B 98 3.878 1.500 -5.542 1.00 0.00 H new ATOM 0 HD13 ILE B 98 2.651 1.358 -4.261 1.00 0.00 H new ATOM 1587 N PHE B 99 2.884 -4.498 -4.331 1.00 0.00 N ATOM 1588 CA PHE B 99 2.206 -5.653 -4.891 1.00 0.00 C ATOM 1589 C PHE B 99 0.754 -5.678 -4.442 1.00 0.00 C ATOM 1590 O PHE B 99 0.464 -5.751 -3.248 1.00 0.00 O ATOM 1591 CB PHE B 99 2.888 -6.954 -4.451 1.00 0.00 C ATOM 1592 CG PHE B 99 4.343 -7.058 -4.816 1.00 0.00 C ATOM 1593 CD1 PHE B 99 5.315 -6.554 -3.973 1.00 0.00 C ATOM 1594 CD2 PHE B 99 4.738 -7.670 -5.996 1.00 0.00 C ATOM 1595 CE1 PHE B 99 6.650 -6.656 -4.297 1.00 0.00 C ATOM 1596 CE2 PHE B 99 6.074 -7.773 -6.327 1.00 0.00 C ATOM 1597 CZ PHE B 99 7.032 -7.265 -5.476 1.00 0.00 C ATOM 0 H PHE B 99 2.769 -4.392 -3.323 1.00 0.00 H new ATOM 0 HA PHE B 99 2.255 -5.575 -5.977 1.00 0.00 H new ATOM 0 HB2 PHE B 99 2.791 -7.051 -3.370 1.00 0.00 H new ATOM 0 HB3 PHE B 99 2.355 -7.795 -4.895 1.00 0.00 H new ATOM 0 HD1 PHE B 99 5.025 -6.075 -3.050 1.00 0.00 H new ATOM 0 HD2 PHE B 99 3.991 -8.071 -6.665 1.00 0.00 H new ATOM 0 HE1 PHE B 99 7.399 -6.259 -3.628 1.00 0.00 H new ATOM 0 HE2 PHE B 99 6.368 -8.250 -7.250 1.00 0.00 H new ATOM 0 HZ PHE B 99 8.079 -7.343 -5.731 1.00 0.00 H new ATOM 1607 N HIS B 100 -0.160 -5.609 -5.392 1.00 0.00 N ATOM 1608 CA HIS B 100 -1.574 -5.687 -5.072 1.00 0.00 C ATOM 1609 C HIS B 100 -2.126 -7.053 -5.441 1.00 0.00 C ATOM 1610 O HIS B 100 -2.277 -7.382 -6.618 1.00 0.00 O ATOM 1611 CB HIS B 100 -2.374 -4.589 -5.783 1.00 0.00 C ATOM 1612 CG HIS B 100 -3.850 -4.681 -5.536 1.00 0.00 C ATOM 1613 ND1 HIS B 100 -4.772 -4.856 -6.543 1.00 0.00 N ATOM 1614 CD2 HIS B 100 -4.557 -4.649 -4.382 1.00 0.00 C ATOM 1615 CE1 HIS B 100 -5.980 -4.933 -6.021 1.00 0.00 C ATOM 1616 NE2 HIS B 100 -5.878 -4.809 -4.711 1.00 0.00 N ATOM 0 H HIS B 100 0.048 -5.500 -6.384 1.00 0.00 H new ATOM 0 HA HIS B 100 -1.677 -5.537 -3.997 1.00 0.00 H new ATOM 0 HB2 HIS B 100 -2.016 -3.614 -5.451 1.00 0.00 H new ATOM 0 HB3 HIS B 100 -2.187 -4.648 -6.855 1.00 0.00 H new ATOM 0 HD2 HIS B 100 -4.155 -4.521 -3.388 1.00 0.00 H new ATOM 0 HE1 HIS B 100 -6.898 -5.074 -6.572 1.00 0.00 H new ATOM 0 HE2 HIS B 100 -6.655 -4.829 -4.051 1.00 0.00 H new ATOM 1625 N ILE B 101 -2.424 -7.844 -4.433 1.00 0.00 N ATOM 1626 CA ILE B 101 -3.044 -9.132 -4.648 1.00 0.00 C ATOM 1627 C ILE B 101 -4.552 -8.963 -4.710 1.00 0.00 C ATOM 1628 O ILE B 101 -5.218 -8.865 -3.682 1.00 0.00 O ATOM 1629 CB ILE B 101 -2.685 -10.135 -3.536 1.00 0.00 C ATOM 1630 CG1 ILE B 101 -1.170 -10.308 -3.447 1.00 0.00 C ATOM 1631 CG2 ILE B 101 -3.355 -11.478 -3.799 1.00 0.00 C ATOM 1632 CD1 ILE B 101 -0.741 -11.239 -2.340 1.00 0.00 C ATOM 0 H ILE B 101 -2.246 -7.616 -3.455 1.00 0.00 H new ATOM 0 HA ILE B 101 -2.668 -9.531 -5.590 1.00 0.00 H new ATOM 0 HB ILE B 101 -3.048 -9.745 -2.585 1.00 0.00 H new ATOM 0 HG12 ILE B 101 -0.798 -10.689 -4.398 1.00 0.00 H new ATOM 0 HG13 ILE B 101 -0.708 -9.333 -3.292 1.00 0.00 H new ATOM 0 HG21 ILE B 101 -3.092 -12.177 -3.005 1.00 0.00 H new ATOM 0 HG22 ILE B 101 -4.437 -11.346 -3.824 1.00 0.00 H new ATOM 0 HG23 ILE B 101 -3.016 -11.872 -4.757 1.00 0.00 H new ATOM 0 HD11 ILE B 101 0.346 -11.318 -2.332 1.00 0.00 H new ATOM 0 HD12 ILE B 101 -1.084 -10.848 -1.382 1.00 0.00 H new ATOM 0 HD13 ILE B 101 -1.175 -12.225 -2.505 1.00 0.00 H new ATOM 1644 N ARG B 102 -5.084 -8.911 -5.921 1.00 0.00 N ATOM 1645 CA ARG B 102 -6.521 -8.738 -6.110 1.00 0.00 C ATOM 1646 C ARG B 102 -7.260 -10.031 -5.794 1.00 0.00 C ATOM 1647 O ARG B 102 -8.481 -10.052 -5.687 1.00 0.00 O ATOM 1648 CB ARG B 102 -6.837 -8.272 -7.530 1.00 0.00 C ATOM 1649 CG ARG B 102 -6.325 -9.195 -8.616 1.00 0.00 C ATOM 1650 CD ARG B 102 -6.699 -8.671 -9.990 1.00 0.00 C ATOM 1651 NE ARG B 102 -8.145 -8.687 -10.214 1.00 0.00 N ATOM 1652 CZ ARG B 102 -8.802 -7.767 -10.924 1.00 0.00 C ATOM 1653 NH1 ARG B 102 -8.157 -6.725 -11.432 1.00 0.00 N ATOM 1654 NH2 ARG B 102 -10.110 -7.885 -11.114 1.00 0.00 N ATOM 0 H ARG B 102 -4.548 -8.985 -6.786 1.00 0.00 H new ATOM 0 HA ARG B 102 -6.861 -7.966 -5.420 1.00 0.00 H new ATOM 0 HB2 ARG B 102 -7.917 -8.170 -7.635 1.00 0.00 H new ATOM 0 HB3 ARG B 102 -6.408 -7.281 -7.679 1.00 0.00 H new ATOM 0 HG2 ARG B 102 -5.242 -9.288 -8.540 1.00 0.00 H new ATOM 0 HG3 ARG B 102 -6.741 -10.193 -8.477 1.00 0.00 H new ATOM 0 HD2 ARG B 102 -6.327 -7.653 -10.102 1.00 0.00 H new ATOM 0 HD3 ARG B 102 -6.208 -9.275 -10.753 1.00 0.00 H new ATOM 0 HE ARG B 102 -8.684 -9.448 -9.802 1.00 0.00 H new ATOM 0 HH11 ARG B 102 -7.153 -6.623 -11.281 1.00 0.00 H new ATOM 0 HH12 ARG B 102 -8.665 -6.025 -11.974 1.00 0.00 H new ATOM 0 HH21 ARG B 102 -10.613 -8.679 -10.718 1.00 0.00 H new ATOM 0 HH22 ARG B 102 -10.612 -7.182 -11.656 1.00 0.00 H new ATOM 1668 N LYS B 103 -6.498 -11.106 -5.638 1.00 0.00 N ATOM 1669 CA LYS B 103 -7.050 -12.392 -5.242 1.00 0.00 C ATOM 1670 C LYS B 103 -7.528 -12.342 -3.794 1.00 0.00 C ATOM 1671 O LYS B 103 -8.608 -12.826 -3.463 1.00 0.00 O ATOM 1672 CB LYS B 103 -5.989 -13.483 -5.407 1.00 0.00 C ATOM 1673 CG LYS B 103 -5.542 -13.695 -6.847 1.00 0.00 C ATOM 1674 CD LYS B 103 -6.642 -14.318 -7.694 1.00 0.00 C ATOM 1675 CE LYS B 103 -7.001 -15.717 -7.210 1.00 0.00 C ATOM 1676 NZ LYS B 103 -5.851 -16.655 -7.312 1.00 0.00 N ATOM 0 H LYS B 103 -5.488 -11.110 -5.781 1.00 0.00 H new ATOM 0 HA LYS B 103 -7.903 -12.621 -5.881 1.00 0.00 H new ATOM 0 HB2 LYS B 103 -5.120 -13.226 -4.801 1.00 0.00 H new ATOM 0 HB3 LYS B 103 -6.383 -14.422 -5.017 1.00 0.00 H new ATOM 0 HG2 LYS B 103 -5.247 -12.739 -7.280 1.00 0.00 H new ATOM 0 HG3 LYS B 103 -4.662 -14.338 -6.864 1.00 0.00 H new ATOM 0 HD2 LYS B 103 -7.528 -13.684 -7.664 1.00 0.00 H new ATOM 0 HD3 LYS B 103 -6.319 -14.364 -8.734 1.00 0.00 H new ATOM 0 HE2 LYS B 103 -7.337 -15.667 -6.174 1.00 0.00 H new ATOM 0 HE3 LYS B 103 -7.835 -16.101 -7.798 1.00 0.00 H new ATOM 0 HZ1 LYS B 103 -6.204 -17.627 -7.425 1.00 0.00 H new ATOM 0 HZ2 LYS B 103 -5.268 -16.401 -8.135 1.00 0.00 H new ATOM 0 HZ3 LYS B 103 -5.275 -16.594 -6.448 1.00 0.00 H new ATOM 1690 N GLU B 104 -6.718 -11.730 -2.940 1.00 0.00 N ATOM 1691 CA GLU B 104 -7.037 -11.612 -1.525 1.00 0.00 C ATOM 1692 C GLU B 104 -7.600 -10.231 -1.220 1.00 0.00 C ATOM 1693 O GLU B 104 -8.051 -9.963 -0.108 1.00 0.00 O ATOM 1694 CB GLU B 104 -5.783 -11.844 -0.678 1.00 0.00 C ATOM 1695 CG GLU B 104 -5.131 -13.197 -0.901 1.00 0.00 C ATOM 1696 CD GLU B 104 -6.033 -14.345 -0.512 1.00 0.00 C ATOM 1697 OE1 GLU B 104 -6.200 -14.590 0.700 1.00 0.00 O ATOM 1698 OE2 GLU B 104 -6.571 -15.018 -1.412 1.00 0.00 O ATOM 0 H GLU B 104 -5.830 -11.305 -3.206 1.00 0.00 H new ATOM 0 HA GLU B 104 -7.785 -12.367 -1.280 1.00 0.00 H new ATOM 0 HB2 GLU B 104 -5.057 -11.061 -0.899 1.00 0.00 H new ATOM 0 HB3 GLU B 104 -6.045 -11.747 0.376 1.00 0.00 H new ATOM 0 HG2 GLU B 104 -4.855 -13.295 -1.951 1.00 0.00 H new ATOM 0 HG3 GLU B 104 -4.209 -13.252 -0.323 1.00 0.00 H new ATOM 1705 N ARG B 105 -7.562 -9.364 -2.235 1.00 0.00 N ATOM 1706 CA ARG B 105 -7.957 -7.962 -2.102 1.00 0.00 C ATOM 1707 C ARG B 105 -7.068 -7.251 -1.090 1.00 0.00 C ATOM 1708 O ARG B 105 -7.513 -6.377 -0.348 1.00 0.00 O ATOM 1709 CB ARG B 105 -9.435 -7.820 -1.714 1.00 0.00 C ATOM 1710 CG ARG B 105 -10.396 -8.055 -2.871 1.00 0.00 C ATOM 1711 CD ARG B 105 -10.491 -9.524 -3.259 1.00 0.00 C ATOM 1712 NE ARG B 105 -11.369 -9.725 -4.411 1.00 0.00 N ATOM 1713 CZ ARG B 105 -11.688 -10.919 -4.916 1.00 0.00 C ATOM 1714 NH1 ARG B 105 -11.168 -12.027 -4.403 1.00 0.00 N ATOM 1715 NH2 ARG B 105 -12.517 -11.000 -5.950 1.00 0.00 N ATOM 0 H ARG B 105 -7.255 -9.617 -3.174 1.00 0.00 H new ATOM 0 HA ARG B 105 -7.828 -7.491 -3.077 1.00 0.00 H new ATOM 0 HB2 ARG B 105 -9.662 -8.527 -0.916 1.00 0.00 H new ATOM 0 HB3 ARG B 105 -9.602 -6.821 -1.312 1.00 0.00 H new ATOM 0 HG2 ARG B 105 -11.386 -7.690 -2.597 1.00 0.00 H new ATOM 0 HG3 ARG B 105 -10.070 -7.475 -3.734 1.00 0.00 H new ATOM 0 HD2 ARG B 105 -9.496 -9.904 -3.490 1.00 0.00 H new ATOM 0 HD3 ARG B 105 -10.864 -10.100 -2.412 1.00 0.00 H new ATOM 0 HE ARG B 105 -11.764 -8.898 -4.859 1.00 0.00 H new ATOM 0 HH11 ARG B 105 -10.520 -11.970 -3.617 1.00 0.00 H new ATOM 0 HH12 ARG B 105 -11.417 -12.936 -4.794 1.00 0.00 H new ATOM 0 HH21 ARG B 105 -12.909 -10.151 -6.357 1.00 0.00 H new ATOM 0 HH22 ARG B 105 -12.762 -11.911 -6.337 1.00 0.00 H new ATOM 1729 N THR B 106 -5.794 -7.615 -1.090 1.00 0.00 N ATOM 1730 CA THR B 106 -4.851 -7.086 -0.127 1.00 0.00 C ATOM 1731 C THR B 106 -3.677 -6.423 -0.842 1.00 0.00 C ATOM 1732 O THR B 106 -3.230 -6.897 -1.890 1.00 0.00 O ATOM 1733 CB THR B 106 -4.338 -8.208 0.795 1.00 0.00 C ATOM 1734 OG1 THR B 106 -5.447 -8.957 1.309 1.00 0.00 O ATOM 1735 CG2 THR B 106 -3.531 -7.640 1.953 1.00 0.00 C ATOM 0 H THR B 106 -5.392 -8.279 -1.752 1.00 0.00 H new ATOM 0 HA THR B 106 -5.362 -6.338 0.479 1.00 0.00 H new ATOM 0 HB THR B 106 -3.690 -8.860 0.209 1.00 0.00 H new ATOM 0 HG1 THR B 106 -5.117 -9.671 1.894 1.00 0.00 H new ATOM 0 HG21 THR B 106 -3.182 -8.455 2.587 1.00 0.00 H new ATOM 0 HG22 THR B 106 -2.674 -7.090 1.564 1.00 0.00 H new ATOM 0 HG23 THR B 106 -4.158 -6.968 2.538 1.00 0.00 H new ATOM 1743 N LEU B 107 -3.196 -5.321 -0.289 1.00 0.00 N ATOM 1744 CA LEU B 107 -2.094 -4.585 -0.896 1.00 0.00 C ATOM 1745 C LEU B 107 -0.862 -4.644 0.005 1.00 0.00 C ATOM 1746 O LEU B 107 -0.912 -4.236 1.166 1.00 0.00 O ATOM 1747 CB LEU B 107 -2.506 -3.127 -1.138 1.00 0.00 C ATOM 1748 CG LEU B 107 -2.004 -2.496 -2.440 1.00 0.00 C ATOM 1749 CD1 LEU B 107 -2.495 -1.066 -2.555 1.00 0.00 C ATOM 1750 CD2 LEU B 107 -0.490 -2.530 -2.526 1.00 0.00 C ATOM 0 H LEU B 107 -3.549 -4.915 0.578 1.00 0.00 H new ATOM 0 HA LEU B 107 -1.848 -5.044 -1.854 1.00 0.00 H new ATOM 0 HB2 LEU B 107 -3.594 -3.071 -1.126 1.00 0.00 H new ATOM 0 HB3 LEU B 107 -2.147 -2.525 -0.303 1.00 0.00 H new ATOM 0 HG LEU B 107 -2.404 -3.082 -3.267 1.00 0.00 H new ATOM 0 HD11 LEU B 107 -2.131 -0.630 -3.485 1.00 0.00 H new ATOM 0 HD12 LEU B 107 -3.585 -1.054 -2.551 1.00 0.00 H new ATOM 0 HD13 LEU B 107 -2.123 -0.485 -1.711 1.00 0.00 H new ATOM 0 HD21 LEU B 107 -0.168 -2.074 -3.462 1.00 0.00 H new ATOM 0 HD22 LEU B 107 -0.065 -1.977 -1.688 1.00 0.00 H new ATOM 0 HD23 LEU B 107 -0.147 -3.564 -2.489 1.00 0.00 H new ATOM 1762 N TYR B 108 0.232 -5.167 -0.533 1.00 0.00 N ATOM 1763 CA TYR B 108 1.472 -5.305 0.220 1.00 0.00 C ATOM 1764 C TYR B 108 2.505 -4.276 -0.227 1.00 0.00 C ATOM 1765 O TYR B 108 2.762 -4.116 -1.424 1.00 0.00 O ATOM 1766 CB TYR B 108 2.048 -6.711 0.041 1.00 0.00 C ATOM 1767 CG TYR B 108 1.137 -7.819 0.517 1.00 0.00 C ATOM 1768 CD1 TYR B 108 -0.026 -8.126 -0.170 1.00 0.00 C ATOM 1769 CD2 TYR B 108 1.438 -8.552 1.658 1.00 0.00 C ATOM 1770 CE1 TYR B 108 -0.865 -9.127 0.261 1.00 0.00 C ATOM 1771 CE2 TYR B 108 0.603 -9.561 2.097 1.00 0.00 C ATOM 1772 CZ TYR B 108 -0.550 -9.843 1.395 1.00 0.00 C ATOM 1773 OH TYR B 108 -1.387 -10.849 1.823 1.00 0.00 O ATOM 0 H TYR B 108 0.286 -5.505 -1.494 1.00 0.00 H new ATOM 0 HA TYR B 108 1.242 -5.135 1.272 1.00 0.00 H new ATOM 0 HB2 TYR B 108 2.272 -6.868 -1.014 1.00 0.00 H new ATOM 0 HB3 TYR B 108 2.993 -6.776 0.581 1.00 0.00 H new ATOM 0 HD1 TYR B 108 -0.279 -7.569 -1.060 1.00 0.00 H new ATOM 0 HD2 TYR B 108 2.339 -8.329 2.210 1.00 0.00 H new ATOM 0 HE1 TYR B 108 -1.768 -9.351 -0.288 1.00 0.00 H new ATOM 0 HE2 TYR B 108 0.851 -10.125 2.984 1.00 0.00 H new ATOM 0 HH TYR B 108 -1.842 -11.247 1.051 1.00 0.00 H new ATOM 1783 N ILE B 109 3.085 -3.578 0.740 1.00 0.00 N ATOM 1784 CA ILE B 109 4.138 -2.604 0.476 1.00 0.00 C ATOM 1785 C ILE B 109 5.426 -3.028 1.174 1.00 0.00 C ATOM 1786 O ILE B 109 5.437 -3.247 2.389 1.00 0.00 O ATOM 1787 CB ILE B 109 3.751 -1.200 0.991 1.00 0.00 C ATOM 1788 CG1 ILE B 109 2.374 -0.777 0.465 1.00 0.00 C ATOM 1789 CG2 ILE B 109 4.808 -0.172 0.605 1.00 0.00 C ATOM 1790 CD1 ILE B 109 2.301 -0.664 -1.039 1.00 0.00 C ATOM 0 H ILE B 109 2.841 -3.670 1.726 1.00 0.00 H new ATOM 0 HA ILE B 109 4.280 -2.563 -0.604 1.00 0.00 H new ATOM 0 HB ILE B 109 3.697 -1.248 2.079 1.00 0.00 H new ATOM 0 HG12 ILE B 109 1.630 -1.499 0.802 1.00 0.00 H new ATOM 0 HG13 ILE B 109 2.108 0.184 0.905 1.00 0.00 H new ATOM 0 HG21 ILE B 109 4.515 0.809 0.978 1.00 0.00 H new ATOM 0 HG22 ILE B 109 5.766 -0.454 1.041 1.00 0.00 H new ATOM 0 HG23 ILE B 109 4.900 -0.135 -0.480 1.00 0.00 H new ATOM 0 HD11 ILE B 109 1.296 -0.361 -1.333 1.00 0.00 H new ATOM 0 HD12 ILE B 109 3.020 0.080 -1.383 1.00 0.00 H new ATOM 0 HD13 ILE B 109 2.535 -1.629 -1.488 1.00 0.00 H new ATOM 1802 N TYR B 110 6.504 -3.153 0.414 1.00 0.00 N ATOM 1803 CA TYR B 110 7.800 -3.497 0.979 1.00 0.00 C ATOM 1804 C TYR B 110 8.855 -2.511 0.514 1.00 0.00 C ATOM 1805 O TYR B 110 9.027 -2.288 -0.682 1.00 0.00 O ATOM 1806 CB TYR B 110 8.199 -4.924 0.595 1.00 0.00 C ATOM 1807 CG TYR B 110 7.257 -5.963 1.150 1.00 0.00 C ATOM 1808 CD1 TYR B 110 7.386 -6.404 2.459 1.00 0.00 C ATOM 1809 CD2 TYR B 110 6.220 -6.477 0.382 1.00 0.00 C ATOM 1810 CE1 TYR B 110 6.513 -7.328 2.985 1.00 0.00 C ATOM 1811 CE2 TYR B 110 5.334 -7.395 0.909 1.00 0.00 C ATOM 1812 CZ TYR B 110 5.488 -7.816 2.213 1.00 0.00 C ATOM 1813 OH TYR B 110 4.596 -8.704 2.759 1.00 0.00 O ATOM 0 H TYR B 110 6.507 -3.021 -0.597 1.00 0.00 H new ATOM 0 HA TYR B 110 7.725 -3.444 2.065 1.00 0.00 H new ATOM 0 HB2 TYR B 110 8.227 -5.009 -0.491 1.00 0.00 H new ATOM 0 HB3 TYR B 110 9.208 -5.124 0.957 1.00 0.00 H new ATOM 0 HD1 TYR B 110 8.184 -6.016 3.075 1.00 0.00 H new ATOM 0 HD2 TYR B 110 6.105 -6.154 -0.642 1.00 0.00 H new ATOM 0 HE1 TYR B 110 6.634 -7.669 4.003 1.00 0.00 H new ATOM 0 HE2 TYR B 110 4.526 -7.781 0.305 1.00 0.00 H new ATOM 0 HH TYR B 110 4.904 -9.620 2.595 1.00 0.00 H new ATOM 1823 N ILE B 111 9.541 -1.909 1.466 1.00 0.00 N ATOM 1824 CA ILE B 111 10.569 -0.927 1.164 1.00 0.00 C ATOM 1825 C ILE B 111 11.853 -1.286 1.897 1.00 0.00 C ATOM 1826 O ILE B 111 11.997 -0.901 3.073 1.00 0.00 O ATOM 1827 CB ILE B 111 10.127 0.502 1.560 1.00 0.00 C ATOM 1828 CG1 ILE B 111 8.775 0.836 0.923 1.00 0.00 C ATOM 1829 CG2 ILE B 111 11.180 1.518 1.133 1.00 0.00 C ATOM 1830 CD1 ILE B 111 8.214 2.176 1.346 1.00 0.00 C ATOM 1831 OXT ILE B 111 12.697 -1.993 1.310 1.00 0.00 O ATOM 0 H ILE B 111 9.405 -2.083 2.462 1.00 0.00 H new ATOM 0 HA ILE B 111 10.739 -0.941 0.087 1.00 0.00 H new ATOM 0 HB ILE B 111 10.020 0.546 2.644 1.00 0.00 H new ATOM 0 HG12 ILE B 111 8.882 0.824 -0.162 1.00 0.00 H new ATOM 0 HG13 ILE B 111 8.060 0.055 1.181 1.00 0.00 H new ATOM 0 HG21 ILE B 111 10.856 2.519 1.418 1.00 0.00 H new ATOM 0 HG22 ILE B 111 12.126 1.289 1.624 1.00 0.00 H new ATOM 0 HG23 ILE B 111 11.312 1.473 0.052 1.00 0.00 H new ATOM 0 HD11 ILE B 111 7.256 2.341 0.853 1.00 0.00 H new ATOM 0 HD12 ILE B 111 8.073 2.187 2.427 1.00 0.00 H new ATOM 0 HD13 ILE B 111 8.908 2.967 1.063 1.00 0.00 H new TER 1843 ILE B 111