USER MOD reduce.3.24.130724 H: found=0, std=0, add=885, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 883 hydrogens (36 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 NoAdj-H: A 18 HIS HE2 : A 18 HIS NE2 : A 110 HECFE :(H bumps) USER MOD NoAdj-H: A 105 IMD HN3 : A 105 IMD N3 : A 110 HECFE :(H bumps) USER MOD NoAdj-H: A 110 HEC HAC : A 110 HEC CAC : A 17 CYS SG :(H bumps) USER MOD NoAdj-H: A 110 HEC HAB : A 110 HEC CAB : A 14 CYS SG :(H bumps) USER MOD Set 1.1: A 49 THR OG1 : rot -129:sc= 1.27 USER MOD Set 1.2: A 110 HEC O2D : rot -110:sc= 0.987 USER MOD Set 2.1: A 55 LYS NZ :NH3+ -126:sc= 1.19 (180deg=-1.51!) USER MOD Set 2.2: A 67 TYR OH : rot 180:sc= 1.05 USER MOD Set 2.3: A 110 HEC O2A : rot 110:sc= -0.776 USER MOD Single : A 1 GLY N :NH3+ 175:sc= 1.31 (180deg=1.17) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= -0.376 X(o=-0.38,f=-0.13) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= -0.149 K(o=-0.15,f=-0.71) USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.191 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= -0.349 K(o=-0.35,f=-2.3!) USER MOD Single : A 33 HIS : no HD1:sc= -0.168 X(o=-0.17,f=-0.5) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 60:sc= 0.666 USER MOD Single : A 42 GLN : amide:sc= -0.0415 X(o=-0.042,f=-0.21) USER MOD Single : A 47 THR OG1 : rot 50:sc= 0.641 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= 0.98 K(o=0.98,f=-7.6!) USER MOD Single : A 53 LYS NZ :NH3+ 159:sc= 1.04 (180deg=-0.172!) USER MOD Single : A 54 ASN : amide:sc= 1.15 K(o=1.1,f=-0.46) USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.0096 USER MOD Single : A 60 LYS NZ :NH3+ -164:sc= 0.969 (180deg=0.873) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 ASN : amide:sc= -0.214 K(o=-0.21,f=-0.79) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00415) USER MOD Single : A 74 TYR OH : rot 180:sc= -0.162 USER MOD Single : A 78 THR OG1 : rot 180:sc=-0.00232 USER MOD Single : A 79 LYS NZ :NH3+ 162:sc=-0.00417 (180deg=-0.304) USER MOD Single : A 80 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0.0284 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 THR OG1 : rot -90:sc= 1.25 USER MOD Single : A 103 ASN : amide:sc= -0.159 K(o=-0.16,f=-2.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -5.034 -4.053 -16.291 1.00 10.00 N ATOM 2 CA GLY A 1 -4.423 -4.546 -15.058 1.00 10.00 C ATOM 3 C GLY A 1 -3.828 -5.927 -15.284 1.00 10.00 C ATOM 4 O GLY A 1 -4.570 -6.906 -15.280 1.00 10.00 O ATOM 0 H1 GLY A 1 -5.511 -3.148 -16.104 1.00 10.00 H new ATOM 0 H2 GLY A 1 -4.298 -3.914 -17.012 1.00 10.00 H new ATOM 0 H3 GLY A 1 -5.729 -4.746 -16.635 1.00 10.00 H new ATOM 0 HA2 GLY A 1 -3.646 -3.857 -14.727 1.00 10.00 H new ATOM 0 HA3 GLY A 1 -5.170 -4.589 -14.265 1.00 10.00 H new ATOM 10 N ASP A 2 -2.518 -6.002 -15.510 1.00 10.00 N ATOM 11 CA ASP A 2 -1.803 -7.248 -15.720 1.00 10.00 C ATOM 12 C ASP A 2 -1.232 -7.762 -14.397 1.00 10.00 C ATOM 13 O ASP A 2 -0.363 -7.117 -13.815 1.00 10.00 O ATOM 14 CB ASP A 2 -0.642 -7.002 -16.684 1.00 10.00 C ATOM 15 CG ASP A 2 0.039 -8.307 -17.048 1.00 10.00 C ATOM 16 OD1 ASP A 2 -0.640 -9.354 -16.993 1.00 10.00 O ATOM 17 OD2 ASP A 2 1.262 -8.249 -17.286 1.00 10.00 O ATOM 0 H ASP A 2 -1.917 -5.179 -15.552 1.00 10.00 H new ATOM 0 HA ASP A 2 -2.494 -7.985 -16.129 1.00 10.00 H new ATOM 0 HB2 ASP A 2 -1.010 -6.514 -17.587 1.00 10.00 H new ATOM 0 HB3 ASP A 2 0.079 -6.325 -16.227 1.00 10.00 H new ATOM 22 N VAL A 3 -1.678 -8.925 -13.917 1.00 10.00 N ATOM 23 CA VAL A 3 -1.087 -9.541 -12.732 1.00 10.00 C ATOM 24 C VAL A 3 0.407 -9.795 -12.951 1.00 10.00 C ATOM 25 O VAL A 3 1.200 -9.621 -12.024 1.00 10.00 O ATOM 26 CB VAL A 3 -1.849 -10.828 -12.351 1.00 10.00 C ATOM 27 CG1 VAL A 3 -1.136 -11.652 -11.267 1.00 10.00 C ATOM 28 CG2 VAL A 3 -3.251 -10.485 -11.831 1.00 10.00 C ATOM 0 H VAL A 3 -2.444 -9.456 -14.331 1.00 10.00 H new ATOM 0 HA VAL A 3 -1.179 -8.854 -11.891 1.00 10.00 H new ATOM 0 HB VAL A 3 -1.899 -11.424 -13.262 1.00 10.00 H new ATOM 0 HG11 VAL A 3 -1.722 -12.544 -11.044 1.00 10.00 H new ATOM 0 HG12 VAL A 3 -0.149 -11.946 -11.624 1.00 10.00 H new ATOM 0 HG13 VAL A 3 -1.031 -11.051 -10.364 1.00 10.00 H new ATOM 0 HG21 VAL A 3 -3.776 -11.403 -11.567 1.00 10.00 H new ATOM 0 HG22 VAL A 3 -3.167 -9.849 -10.950 1.00 10.00 H new ATOM 0 HG23 VAL A 3 -3.808 -9.959 -12.606 1.00 10.00 H new ATOM 38 N GLU A 4 0.801 -10.197 -14.162 1.00 10.00 N ATOM 39 CA GLU A 4 2.193 -10.491 -14.449 1.00 10.00 C ATOM 40 C GLU A 4 3.039 -9.239 -14.264 1.00 10.00 C ATOM 41 O GLU A 4 3.909 -9.192 -13.394 1.00 10.00 O ATOM 42 CB GLU A 4 2.336 -11.059 -15.862 1.00 10.00 C ATOM 43 CG GLU A 4 2.100 -12.576 -15.862 1.00 10.00 C ATOM 44 CD GLU A 4 3.249 -13.325 -15.189 1.00 10.00 C ATOM 45 OE1 GLU A 4 4.332 -13.368 -15.810 1.00 10.00 O ATOM 46 OE2 GLU A 4 3.051 -13.800 -14.045 1.00 10.00 O ATOM 0 H GLU A 4 0.171 -10.324 -14.954 1.00 10.00 H new ATOM 0 HA GLU A 4 2.551 -11.247 -13.750 1.00 10.00 H new ATOM 0 HB2 GLU A 4 1.622 -10.575 -16.528 1.00 10.00 H new ATOM 0 HB3 GLU A 4 3.332 -10.841 -16.248 1.00 10.00 H new ATOM 0 HG2 GLU A 4 1.167 -12.799 -15.345 1.00 10.00 H new ATOM 0 HG3 GLU A 4 1.988 -12.927 -16.888 1.00 10.00 H new ATOM 53 N LYS A 5 2.789 -8.206 -15.065 1.00 10.00 N ATOM 54 CA LYS A 5 3.532 -6.973 -14.948 1.00 10.00 C ATOM 55 C LYS A 5 3.399 -6.431 -13.535 1.00 10.00 C ATOM 56 O LYS A 5 4.406 -6.088 -12.930 1.00 10.00 O ATOM 57 CB LYS A 5 3.146 -5.974 -16.036 1.00 10.00 C ATOM 58 CG LYS A 5 3.866 -6.303 -17.352 1.00 10.00 C ATOM 59 CD LYS A 5 4.598 -5.083 -17.930 1.00 10.00 C ATOM 60 CE LYS A 5 3.611 -4.106 -18.584 1.00 10.00 C ATOM 61 NZ LYS A 5 4.308 -3.040 -19.333 1.00 10.00 N ATOM 0 H LYS A 5 2.078 -8.207 -15.797 1.00 10.00 H new ATOM 0 HA LYS A 5 4.591 -7.168 -15.117 1.00 10.00 H new ATOM 0 HB2 LYS A 5 2.067 -5.995 -16.190 1.00 10.00 H new ATOM 0 HB3 LYS A 5 3.403 -4.964 -15.717 1.00 10.00 H new ATOM 0 HG2 LYS A 5 4.581 -7.108 -17.182 1.00 10.00 H new ATOM 0 HG3 LYS A 5 3.142 -6.669 -18.080 1.00 10.00 H new ATOM 0 HD2 LYS A 5 5.146 -4.575 -17.137 1.00 10.00 H new ATOM 0 HD3 LYS A 5 5.332 -5.410 -18.666 1.00 10.00 H new ATOM 0 HE2 LYS A 5 2.952 -4.653 -19.258 1.00 10.00 H new ATOM 0 HE3 LYS A 5 2.981 -3.658 -17.816 1.00 10.00 H new ATOM 0 HZ1 LYS A 5 3.607 -2.401 -19.760 1.00 10.00 H new ATOM 0 HZ2 LYS A 5 4.918 -2.502 -18.685 1.00 10.00 H new ATOM 0 HZ3 LYS A 5 4.890 -3.466 -20.082 1.00 10.00 H new ATOM 75 N GLY A 6 2.195 -6.441 -12.971 1.00 10.00 N ATOM 76 CA GLY A 6 1.965 -6.075 -11.589 1.00 10.00 C ATOM 77 C GLY A 6 2.937 -6.742 -10.614 1.00 10.00 C ATOM 78 O GLY A 6 3.477 -6.086 -9.720 1.00 10.00 O ATOM 0 H GLY A 6 1.347 -6.707 -13.471 1.00 10.00 H new ATOM 0 HA2 GLY A 6 2.047 -4.993 -11.489 1.00 10.00 H new ATOM 0 HA3 GLY A 6 0.945 -6.344 -11.315 1.00 10.00 H new ATOM 82 N LYS A 7 3.165 -8.049 -10.782 1.00 10.00 N ATOM 83 CA LYS A 7 4.060 -8.822 -9.946 1.00 10.00 C ATOM 84 C LYS A 7 5.448 -8.205 -10.084 1.00 10.00 C ATOM 85 O LYS A 7 6.086 -7.852 -9.091 1.00 10.00 O ATOM 86 CB LYS A 7 3.997 -10.302 -10.376 1.00 10.00 C ATOM 87 CG LYS A 7 4.897 -11.248 -9.573 1.00 10.00 C ATOM 88 CD LYS A 7 4.884 -12.659 -10.197 1.00 10.00 C ATOM 89 CE LYS A 7 3.990 -13.638 -9.422 1.00 10.00 C ATOM 90 NZ LYS A 7 3.926 -14.963 -10.078 1.00 10.00 N ATOM 0 H LYS A 7 2.721 -8.599 -11.517 1.00 10.00 H new ATOM 0 HA LYS A 7 3.780 -8.798 -8.893 1.00 10.00 H new ATOM 0 HB2 LYS A 7 2.966 -10.646 -10.291 1.00 10.00 H new ATOM 0 HB3 LYS A 7 4.270 -10.371 -11.429 1.00 10.00 H new ATOM 0 HG2 LYS A 7 5.916 -10.861 -9.553 1.00 10.00 H new ATOM 0 HG3 LYS A 7 4.554 -11.297 -8.539 1.00 10.00 H new ATOM 0 HD2 LYS A 7 4.536 -12.593 -11.228 1.00 10.00 H new ATOM 0 HD3 LYS A 7 5.902 -13.048 -10.228 1.00 10.00 H new ATOM 0 HE2 LYS A 7 4.372 -13.753 -8.407 1.00 10.00 H new ATOM 0 HE3 LYS A 7 2.985 -13.225 -9.340 1.00 10.00 H new ATOM 0 HZ1 LYS A 7 3.313 -15.595 -9.525 1.00 10.00 H new ATOM 0 HZ2 LYS A 7 3.538 -14.857 -11.037 1.00 10.00 H new ATOM 0 HZ3 LYS A 7 4.882 -15.369 -10.134 1.00 10.00 H new ATOM 104 N LYS A 8 5.917 -8.061 -11.327 1.00 10.00 N ATOM 105 CA LYS A 8 7.268 -7.579 -11.567 1.00 10.00 C ATOM 106 C LYS A 8 7.443 -6.134 -11.086 1.00 10.00 C ATOM 107 O LYS A 8 8.498 -5.767 -10.572 1.00 10.00 O ATOM 108 CB LYS A 8 7.689 -7.739 -13.034 1.00 10.00 C ATOM 109 CG LYS A 8 7.260 -9.057 -13.697 1.00 10.00 C ATOM 110 CD LYS A 8 7.486 -10.329 -12.866 1.00 10.00 C ATOM 111 CE LYS A 8 8.978 -10.677 -12.762 1.00 10.00 C ATOM 112 NZ LYS A 8 9.207 -11.944 -12.037 1.00 10.00 N ATOM 0 H LYS A 8 5.383 -8.270 -12.170 1.00 10.00 H new ATOM 0 HA LYS A 8 7.936 -8.206 -10.977 1.00 10.00 H new ATOM 0 HB2 LYS A 8 7.273 -6.910 -13.607 1.00 10.00 H new ATOM 0 HB3 LYS A 8 8.774 -7.656 -13.095 1.00 10.00 H new ATOM 0 HG2 LYS A 8 6.200 -8.990 -13.943 1.00 10.00 H new ATOM 0 HG3 LYS A 8 7.799 -9.160 -14.639 1.00 10.00 H new ATOM 0 HD2 LYS A 8 7.074 -10.190 -11.867 1.00 10.00 H new ATOM 0 HD3 LYS A 8 6.948 -11.161 -13.320 1.00 10.00 H new ATOM 0 HE2 LYS A 8 9.402 -10.752 -13.763 1.00 10.00 H new ATOM 0 HE3 LYS A 8 9.503 -9.869 -12.253 1.00 10.00 H new ATOM 0 HZ1 LYS A 8 10.228 -12.138 -11.991 1.00 10.00 H new ATOM 0 HZ2 LYS A 8 8.826 -11.866 -11.072 1.00 10.00 H new ATOM 0 HZ3 LYS A 8 8.729 -12.721 -12.536 1.00 10.00 H new ATOM 126 N ILE A 9 6.405 -5.311 -11.237 1.00 10.00 N ATOM 127 CA ILE A 9 6.375 -3.961 -10.729 1.00 10.00 C ATOM 128 C ILE A 9 6.572 -4.037 -9.219 1.00 10.00 C ATOM 129 O ILE A 9 7.549 -3.497 -8.718 1.00 10.00 O ATOM 130 CB ILE A 9 5.066 -3.266 -11.148 1.00 10.00 C ATOM 131 CG1 ILE A 9 5.040 -3.006 -12.666 1.00 10.00 C ATOM 132 CG2 ILE A 9 4.906 -1.929 -10.425 1.00 10.00 C ATOM 133 CD1 ILE A 9 3.651 -2.576 -13.149 1.00 10.00 C ATOM 0 H ILE A 9 5.551 -5.580 -11.726 1.00 10.00 H new ATOM 0 HA ILE A 9 7.175 -3.350 -11.148 1.00 10.00 H new ATOM 0 HB ILE A 9 4.247 -3.932 -10.878 1.00 10.00 H new ATOM 0 HG12 ILE A 9 5.766 -2.232 -12.914 1.00 10.00 H new ATOM 0 HG13 ILE A 9 5.344 -3.910 -13.194 1.00 10.00 H new ATOM 0 HG21 ILE A 9 3.975 -1.456 -10.737 1.00 10.00 H new ATOM 0 HG22 ILE A 9 4.885 -2.098 -9.348 1.00 10.00 H new ATOM 0 HG23 ILE A 9 5.744 -1.278 -10.674 1.00 10.00 H new ATOM 0 HD11 ILE A 9 3.677 -2.403 -14.225 1.00 10.00 H new ATOM 0 HD12 ILE A 9 2.929 -3.361 -12.925 1.00 10.00 H new ATOM 0 HD13 ILE A 9 3.357 -1.657 -12.641 1.00 10.00 H new ATOM 145 N PHE A 10 5.691 -4.724 -8.488 1.00 10.00 N ATOM 146 CA PHE A 10 5.817 -4.853 -7.038 1.00 10.00 C ATOM 147 C PHE A 10 7.252 -5.237 -6.636 1.00 10.00 C ATOM 148 O PHE A 10 7.872 -4.551 -5.817 1.00 10.00 O ATOM 149 CB PHE A 10 4.770 -5.845 -6.528 1.00 10.00 C ATOM 150 CG PHE A 10 4.768 -6.016 -5.023 1.00 10.00 C ATOM 151 CD1 PHE A 10 4.154 -5.050 -4.204 1.00 10.00 C ATOM 152 CD2 PHE A 10 5.335 -7.167 -4.445 1.00 10.00 C ATOM 153 CE1 PHE A 10 4.100 -5.238 -2.813 1.00 10.00 C ATOM 154 CE2 PHE A 10 5.240 -7.376 -3.059 1.00 10.00 C ATOM 155 CZ PHE A 10 4.644 -6.401 -2.242 1.00 10.00 C ATOM 0 H PHE A 10 4.879 -5.201 -8.881 1.00 10.00 H new ATOM 0 HA PHE A 10 5.625 -3.890 -6.565 1.00 10.00 H new ATOM 0 HB2 PHE A 10 3.782 -5.512 -6.847 1.00 10.00 H new ATOM 0 HB3 PHE A 10 4.945 -6.815 -6.994 1.00 10.00 H new ATOM 0 HD1 PHE A 10 3.724 -4.163 -4.646 1.00 10.00 H new ATOM 0 HD2 PHE A 10 5.843 -7.889 -5.067 1.00 10.00 H new ATOM 0 HE1 PHE A 10 3.641 -4.490 -2.183 1.00 10.00 H new ATOM 0 HE2 PHE A 10 5.625 -8.286 -2.622 1.00 10.00 H new ATOM 0 HZ PHE A 10 4.604 -6.546 -1.172 1.00 10.00 H new ATOM 165 N VAL A 11 7.806 -6.269 -7.287 1.00 10.00 N ATOM 166 CA VAL A 11 9.194 -6.722 -7.129 1.00 10.00 C ATOM 167 C VAL A 11 10.220 -5.590 -7.252 1.00 10.00 C ATOM 168 O VAL A 11 11.277 -5.639 -6.625 1.00 10.00 O ATOM 169 CB VAL A 11 9.484 -7.869 -8.111 1.00 10.00 C ATOM 170 CG1 VAL A 11 10.968 -8.256 -8.168 1.00 10.00 C ATOM 171 CG2 VAL A 11 8.688 -9.106 -7.696 1.00 10.00 C ATOM 0 H VAL A 11 7.283 -6.829 -7.960 1.00 10.00 H new ATOM 0 HA VAL A 11 9.301 -7.093 -6.110 1.00 10.00 H new ATOM 0 HB VAL A 11 9.193 -7.512 -9.099 1.00 10.00 H new ATOM 0 HG11 VAL A 11 11.105 -9.071 -8.879 1.00 10.00 H new ATOM 0 HG12 VAL A 11 11.557 -7.395 -8.485 1.00 10.00 H new ATOM 0 HG13 VAL A 11 11.298 -8.577 -7.180 1.00 10.00 H new ATOM 0 HG21 VAL A 11 8.892 -9.920 -8.391 1.00 10.00 H new ATOM 0 HG22 VAL A 11 8.980 -9.406 -6.690 1.00 10.00 H new ATOM 0 HG23 VAL A 11 7.623 -8.875 -7.711 1.00 10.00 H new ATOM 181 N GLN A 12 9.951 -4.594 -8.092 1.00 10.00 N ATOM 182 CA GLN A 12 10.855 -3.475 -8.337 1.00 10.00 C ATOM 183 C GLN A 12 10.387 -2.170 -7.708 1.00 10.00 C ATOM 184 O GLN A 12 11.067 -1.156 -7.859 1.00 10.00 O ATOM 185 CB GLN A 12 11.047 -3.316 -9.843 1.00 10.00 C ATOM 186 CG GLN A 12 11.696 -4.579 -10.433 1.00 10.00 C ATOM 187 CD GLN A 12 13.170 -4.711 -10.052 1.00 10.00 C ATOM 188 OE1 GLN A 12 14.044 -4.352 -10.833 1.00 10.00 O ATOM 189 NE2 GLN A 12 13.473 -5.224 -8.860 1.00 10.00 N ATOM 0 H GLN A 12 9.086 -4.541 -8.629 1.00 10.00 H new ATOM 0 HA GLN A 12 11.805 -3.706 -7.856 1.00 10.00 H new ATOM 0 HB2 GLN A 12 10.085 -3.135 -10.322 1.00 10.00 H new ATOM 0 HB3 GLN A 12 11.673 -2.447 -10.047 1.00 10.00 H new ATOM 0 HG2 GLN A 12 11.154 -5.458 -10.086 1.00 10.00 H new ATOM 0 HG3 GLN A 12 11.605 -4.557 -11.519 1.00 10.00 H new ATOM 0 HE21 GLN A 12 12.729 -5.516 -8.226 1.00 10.00 H new ATOM 0 HE22 GLN A 12 14.449 -5.325 -8.581 1.00 10.00 H new ATOM 198 N LYS A 13 9.243 -2.171 -7.023 1.00 10.00 N ATOM 199 CA LYS A 13 8.702 -0.973 -6.408 1.00 10.00 C ATOM 200 C LYS A 13 8.706 -1.073 -4.887 1.00 10.00 C ATOM 201 O LYS A 13 9.100 -0.113 -4.225 1.00 10.00 O ATOM 202 CB LYS A 13 7.304 -0.683 -6.965 1.00 10.00 C ATOM 203 CG LYS A 13 7.301 -0.353 -8.465 1.00 10.00 C ATOM 204 CD LYS A 13 8.255 0.790 -8.817 1.00 10.00 C ATOM 205 CE LYS A 13 8.045 1.284 -10.250 1.00 10.00 C ATOM 206 NZ LYS A 13 9.001 2.362 -10.572 1.00 10.00 N ATOM 0 H LYS A 13 8.671 -3.004 -6.883 1.00 10.00 H new ATOM 0 HA LYS A 13 9.346 -0.131 -6.661 1.00 10.00 H new ATOM 0 HB2 LYS A 13 6.665 -1.548 -6.790 1.00 10.00 H new ATOM 0 HB3 LYS A 13 6.868 0.152 -6.416 1.00 10.00 H new ATOM 0 HG2 LYS A 13 7.581 -1.242 -9.030 1.00 10.00 H new ATOM 0 HG3 LYS A 13 6.290 -0.086 -8.773 1.00 10.00 H new ATOM 0 HD2 LYS A 13 8.105 1.616 -8.122 1.00 10.00 H new ATOM 0 HD3 LYS A 13 9.285 0.454 -8.695 1.00 10.00 H new ATOM 0 HE2 LYS A 13 8.172 0.457 -10.948 1.00 10.00 H new ATOM 0 HE3 LYS A 13 7.024 1.648 -10.369 1.00 10.00 H new ATOM 0 HZ1 LYS A 13 8.844 2.685 -11.548 1.00 10.00 H new ATOM 0 HZ2 LYS A 13 8.861 3.158 -9.917 1.00 10.00 H new ATOM 0 HZ3 LYS A 13 9.973 2.004 -10.478 1.00 10.00 H new ATOM 220 N CYS A 14 8.243 -2.192 -4.321 1.00 10.00 N ATOM 221 CA CYS A 14 7.922 -2.213 -2.898 1.00 10.00 C ATOM 222 C CYS A 14 7.914 -3.606 -2.256 1.00 10.00 C ATOM 223 O CYS A 14 7.450 -3.767 -1.129 1.00 10.00 O ATOM 224 CB CYS A 14 6.693 -1.360 -2.636 1.00 10.00 C ATOM 225 SG CYS A 14 5.506 -1.176 -4.024 1.00 10.00 S ATOM 0 H CYS A 14 8.087 -3.071 -4.814 1.00 10.00 H new ATOM 0 HA CYS A 14 8.751 -1.750 -2.362 1.00 10.00 H new ATOM 0 HB2 CYS A 14 6.159 -1.785 -1.786 1.00 10.00 H new ATOM 0 HB3 CYS A 14 7.026 -0.366 -2.339 1.00 10.00 H new ATOM 230 N ALA A 15 8.525 -4.596 -2.910 1.00 10.00 N ATOM 231 CA ALA A 15 8.517 -5.978 -2.443 1.00 10.00 C ATOM 232 C ALA A 15 9.308 -6.255 -1.166 1.00 10.00 C ATOM 233 O ALA A 15 8.944 -7.168 -0.434 1.00 10.00 O ATOM 234 CB ALA A 15 9.007 -6.888 -3.557 1.00 10.00 C ATOM 0 H ALA A 15 9.040 -4.458 -3.780 1.00 10.00 H new ATOM 0 HA ALA A 15 7.480 -6.183 -2.177 1.00 10.00 H new ATOM 0 HB1 ALA A 15 9.002 -7.922 -3.211 1.00 10.00 H new ATOM 0 HB2 ALA A 15 8.350 -6.792 -4.421 1.00 10.00 H new ATOM 0 HB3 ALA A 15 10.021 -6.604 -3.839 1.00 10.00 H new ATOM 240 N GLN A 16 10.407 -5.541 -0.904 1.00 10.00 N ATOM 241 CA GLN A 16 11.116 -5.708 0.363 1.00 10.00 C ATOM 242 C GLN A 16 10.376 -4.992 1.488 1.00 10.00 C ATOM 243 O GLN A 16 10.457 -5.421 2.637 1.00 10.00 O ATOM 244 CB GLN A 16 12.564 -5.200 0.271 1.00 10.00 C ATOM 245 CG GLN A 16 13.552 -6.332 -0.047 1.00 10.00 C ATOM 246 CD GLN A 16 13.727 -7.335 1.100 1.00 10.00 C ATOM 247 OE1 GLN A 16 13.568 -7.009 2.274 1.00 10.00 O ATOM 248 NE2 GLN A 16 14.077 -8.575 0.772 1.00 10.00 N ATOM 0 H GLN A 16 10.817 -4.856 -1.539 1.00 10.00 H new ATOM 0 HA GLN A 16 11.149 -6.775 0.584 1.00 10.00 H new ATOM 0 HB2 GLN A 16 12.631 -4.433 -0.501 1.00 10.00 H new ATOM 0 HB3 GLN A 16 12.843 -4.729 1.213 1.00 10.00 H new ATOM 0 HG2 GLN A 16 13.209 -6.864 -0.934 1.00 10.00 H new ATOM 0 HG3 GLN A 16 14.522 -5.899 -0.291 1.00 10.00 H new ATOM 0 HE21 GLN A 16 14.204 -8.827 -0.208 1.00 10.00 H new ATOM 0 HE22 GLN A 16 14.218 -9.275 1.501 1.00 10.00 H new ATOM 257 N CYS A 17 9.719 -3.867 1.180 1.00 10.00 N ATOM 258 CA CYS A 17 9.066 -3.097 2.222 1.00 10.00 C ATOM 259 C CYS A 17 7.745 -3.749 2.599 1.00 10.00 C ATOM 260 O CYS A 17 7.511 -3.949 3.783 1.00 10.00 O ATOM 261 CB CYS A 17 8.924 -1.634 1.879 1.00 10.00 C ATOM 262 SG CYS A 17 8.843 -0.750 3.469 1.00 10.00 S ATOM 0 H CYS A 17 9.631 -3.484 0.239 1.00 10.00 H new ATOM 0 HA CYS A 17 9.712 -3.109 3.100 1.00 10.00 H new ATOM 0 HB2 CYS A 17 9.769 -1.289 1.284 1.00 10.00 H new ATOM 0 HB3 CYS A 17 8.025 -1.457 1.288 1.00 10.00 H new ATOM 267 N HIS A 18 6.896 -4.073 1.617 1.00 10.00 N ATOM 268 CA HIS A 18 5.673 -4.833 1.839 1.00 10.00 C ATOM 269 C HIS A 18 5.964 -6.315 1.620 1.00 10.00 C ATOM 270 O HIS A 18 7.116 -6.738 1.650 1.00 10.00 O ATOM 271 CB HIS A 18 4.573 -4.275 0.925 1.00 10.00 C ATOM 272 CG HIS A 18 3.993 -3.013 1.488 1.00 10.00 C ATOM 273 ND1 HIS A 18 3.217 -2.924 2.622 1.00 10.00 N ATOM 274 CD2 HIS A 18 4.141 -1.758 0.971 1.00 10.00 C ATOM 275 CE1 HIS A 18 2.883 -1.630 2.759 1.00 10.00 C ATOM 276 NE2 HIS A 18 3.431 -0.878 1.787 1.00 10.00 N ATOM 0 H HIS A 18 7.044 -3.811 0.642 1.00 10.00 H new ATOM 0 HA HIS A 18 5.313 -4.734 2.863 1.00 10.00 H new ATOM 0 HB2 HIS A 18 4.983 -4.080 -0.066 1.00 10.00 H new ATOM 0 HB3 HIS A 18 3.785 -5.018 0.803 1.00 10.00 H new ATOM 0 HD1 HIS A 18 2.948 -3.691 3.238 1.00 10.00 H new ATOM 0 HD2 HIS A 18 4.706 -1.494 0.089 1.00 10.00 H new ATOM 0 HE1 HIS A 18 2.255 -1.243 3.548 1.00 10.00 H new ATOM 284 N THR A 19 4.925 -7.129 1.428 1.00 10.00 N ATOM 285 CA THR A 19 5.086 -8.550 1.208 1.00 10.00 C ATOM 286 C THR A 19 3.862 -9.092 0.474 1.00 10.00 C ATOM 287 O THR A 19 3.969 -9.594 -0.637 1.00 10.00 O ATOM 288 CB THR A 19 5.269 -9.236 2.569 1.00 10.00 C ATOM 289 OG1 THR A 19 6.372 -8.756 3.304 1.00 10.00 O ATOM 290 CG2 THR A 19 5.432 -10.722 2.369 1.00 10.00 C ATOM 0 H THR A 19 3.955 -6.814 1.422 1.00 10.00 H new ATOM 0 HA THR A 19 5.963 -8.749 0.592 1.00 10.00 H new ATOM 0 HB THR A 19 4.374 -9.006 3.147 1.00 10.00 H new ATOM 0 HG1 THR A 19 6.429 -9.233 4.158 1.00 10.00 H new ATOM 0 HG21 THR A 19 5.562 -11.207 3.336 1.00 10.00 H new ATOM 0 HG22 THR A 19 4.545 -11.123 1.878 1.00 10.00 H new ATOM 0 HG23 THR A 19 6.307 -10.912 1.748 1.00 10.00 H new ATOM 298 N VAL A 20 2.717 -9.028 1.156 1.00 10.00 N ATOM 299 CA VAL A 20 1.412 -9.497 0.728 1.00 10.00 C ATOM 300 C VAL A 20 1.326 -11.016 0.536 1.00 10.00 C ATOM 301 O VAL A 20 0.391 -11.475 -0.108 1.00 10.00 O ATOM 302 CB VAL A 20 0.829 -8.648 -0.425 1.00 10.00 C ATOM 303 CG1 VAL A 20 0.925 -7.154 -0.099 1.00 10.00 C ATOM 304 CG2 VAL A 20 1.426 -8.861 -1.820 1.00 10.00 C ATOM 0 H VAL A 20 2.683 -8.616 2.088 1.00 10.00 H new ATOM 0 HA VAL A 20 0.735 -9.325 1.565 1.00 10.00 H new ATOM 0 HB VAL A 20 -0.200 -9.004 -0.485 1.00 10.00 H new ATOM 0 HG11 VAL A 20 0.509 -6.574 -0.923 1.00 10.00 H new ATOM 0 HG12 VAL A 20 0.364 -6.944 0.812 1.00 10.00 H new ATOM 0 HG13 VAL A 20 1.970 -6.880 0.047 1.00 10.00 H new ATOM 0 HG21 VAL A 20 0.927 -8.205 -2.533 1.00 10.00 H new ATOM 0 HG22 VAL A 20 2.491 -8.631 -1.799 1.00 10.00 H new ATOM 0 HG23 VAL A 20 1.284 -9.899 -2.122 1.00 10.00 H new ATOM 314 N GLU A 21 2.226 -11.799 1.159 1.00 10.00 N ATOM 315 CA GLU A 21 2.250 -13.259 1.032 1.00 10.00 C ATOM 316 C GLU A 21 2.140 -14.046 2.340 1.00 10.00 C ATOM 317 O GLU A 21 2.119 -15.273 2.325 1.00 10.00 O ATOM 318 CB GLU A 21 3.423 -13.743 0.159 1.00 10.00 C ATOM 319 CG GLU A 21 4.835 -13.568 0.723 1.00 10.00 C ATOM 320 CD GLU A 21 5.758 -14.693 0.265 1.00 10.00 C ATOM 321 OE1 GLU A 21 6.228 -14.597 -0.889 1.00 10.00 O ATOM 322 OE2 GLU A 21 5.979 -15.621 1.070 1.00 10.00 O ATOM 0 H GLU A 21 2.958 -11.430 1.766 1.00 10.00 H new ATOM 0 HA GLU A 21 1.319 -13.491 0.514 1.00 10.00 H new ATOM 0 HB2 GLU A 21 3.273 -14.802 -0.052 1.00 10.00 H new ATOM 0 HB3 GLU A 21 3.373 -13.218 -0.795 1.00 10.00 H new ATOM 0 HG2 GLU A 21 5.241 -12.609 0.402 1.00 10.00 H new ATOM 0 HG3 GLU A 21 4.794 -13.549 1.812 1.00 10.00 H new ATOM 329 N LYS A 22 2.029 -13.343 3.470 1.00 10.00 N ATOM 330 CA LYS A 22 2.171 -13.921 4.810 1.00 10.00 C ATOM 331 C LYS A 22 3.580 -14.509 5.004 1.00 10.00 C ATOM 332 O LYS A 22 4.317 -14.724 4.053 1.00 10.00 O ATOM 333 CB LYS A 22 1.052 -14.950 5.094 1.00 10.00 C ATOM 334 CG LYS A 22 0.036 -14.459 6.135 1.00 10.00 C ATOM 335 CD LYS A 22 0.361 -14.916 7.567 1.00 10.00 C ATOM 336 CE LYS A 22 -0.682 -15.929 8.065 1.00 10.00 C ATOM 337 NZ LYS A 22 -0.661 -17.187 7.285 1.00 10.00 N ATOM 0 H LYS A 22 1.835 -12.342 3.481 1.00 10.00 H new ATOM 0 HA LYS A 22 2.055 -13.125 5.546 1.00 10.00 H new ATOM 0 HB2 LYS A 22 0.530 -15.177 4.164 1.00 10.00 H new ATOM 0 HB3 LYS A 22 1.501 -15.880 5.443 1.00 10.00 H new ATOM 0 HG2 LYS A 22 -0.003 -13.370 6.109 1.00 10.00 H new ATOM 0 HG3 LYS A 22 -0.956 -14.820 5.862 1.00 10.00 H new ATOM 0 HD2 LYS A 22 1.354 -15.366 7.594 1.00 10.00 H new ATOM 0 HD3 LYS A 22 0.384 -14.053 8.233 1.00 10.00 H new ATOM 0 HE2 LYS A 22 -0.495 -16.152 9.115 1.00 10.00 H new ATOM 0 HE3 LYS A 22 -1.675 -15.484 8.005 1.00 10.00 H new ATOM 0 HZ1 LYS A 22 -1.381 -17.839 7.658 1.00 10.00 H new ATOM 0 HZ2 LYS A 22 -0.865 -16.980 6.286 1.00 10.00 H new ATOM 0 HZ3 LYS A 22 0.278 -17.628 7.362 1.00 10.00 H new ATOM 351 N GLY A 23 4.022 -14.679 6.255 1.00 10.00 N ATOM 352 CA GLY A 23 5.343 -15.234 6.559 1.00 10.00 C ATOM 353 C GLY A 23 6.533 -14.412 6.043 1.00 10.00 C ATOM 354 O GLY A 23 7.679 -14.778 6.293 1.00 10.00 O ATOM 0 H GLY A 23 3.476 -14.436 7.081 1.00 10.00 H new ATOM 0 HA2 GLY A 23 5.436 -15.338 7.640 1.00 10.00 H new ATOM 0 HA3 GLY A 23 5.404 -16.237 6.136 1.00 10.00 H new ATOM 358 N GLY A 24 6.292 -13.271 5.391 1.00 10.00 N ATOM 359 CA GLY A 24 7.339 -12.457 4.795 1.00 10.00 C ATOM 360 C GLY A 24 7.884 -11.408 5.770 1.00 10.00 C ATOM 361 O GLY A 24 8.648 -10.533 5.372 1.00 10.00 O ATOM 0 H GLY A 24 5.355 -12.889 5.265 1.00 10.00 H new ATOM 0 HA2 GLY A 24 8.154 -13.101 4.465 1.00 10.00 H new ATOM 0 HA3 GLY A 24 6.948 -11.958 3.908 1.00 10.00 H new ATOM 365 N LYS A 25 7.569 -11.563 7.064 1.00 10.00 N ATOM 366 CA LYS A 25 8.112 -10.803 8.184 1.00 10.00 C ATOM 367 C LYS A 25 7.436 -9.435 8.324 1.00 10.00 C ATOM 368 O LYS A 25 6.635 -9.047 7.478 1.00 10.00 O ATOM 369 CB LYS A 25 9.653 -10.752 8.153 1.00 10.00 C ATOM 370 CG LYS A 25 10.239 -12.142 7.845 1.00 10.00 C ATOM 371 CD LYS A 25 11.773 -12.149 7.859 1.00 10.00 C ATOM 372 CE LYS A 25 12.263 -13.577 7.564 1.00 10.00 C ATOM 373 NZ LYS A 25 13.723 -13.650 7.347 1.00 10.00 N ATOM 0 H LYS A 25 6.891 -12.262 7.367 1.00 10.00 H new ATOM 0 HA LYS A 25 7.867 -11.336 9.102 1.00 10.00 H new ATOM 0 HB2 LYS A 25 9.983 -10.038 7.398 1.00 10.00 H new ATOM 0 HB3 LYS A 25 10.029 -10.398 9.113 1.00 10.00 H new ATOM 0 HG2 LYS A 25 9.869 -12.859 8.578 1.00 10.00 H new ATOM 0 HG3 LYS A 25 9.886 -12.473 6.868 1.00 10.00 H new ATOM 0 HD2 LYS A 25 12.161 -11.455 7.113 1.00 10.00 H new ATOM 0 HD3 LYS A 25 12.143 -11.815 8.828 1.00 10.00 H new ATOM 0 HE2 LYS A 25 11.991 -14.228 8.395 1.00 10.00 H new ATOM 0 HE3 LYS A 25 11.750 -13.957 6.680 1.00 10.00 H new ATOM 0 HZ1 LYS A 25 13.996 -14.634 7.153 1.00 10.00 H new ATOM 0 HZ2 LYS A 25 13.984 -13.052 6.537 1.00 10.00 H new ATOM 0 HZ3 LYS A 25 14.218 -13.315 8.198 1.00 10.00 H new ATOM 387 N HIS A 26 7.707 -8.737 9.434 1.00 10.00 N ATOM 388 CA HIS A 26 7.041 -7.477 9.746 1.00 10.00 C ATOM 389 C HIS A 26 7.613 -6.367 8.865 1.00 10.00 C ATOM 390 O HIS A 26 6.936 -5.892 7.964 1.00 10.00 O ATOM 391 CB HIS A 26 7.162 -7.147 11.243 1.00 10.00 C ATOM 392 CG HIS A 26 6.780 -8.290 12.147 1.00 10.00 C ATOM 393 ND1 HIS A 26 7.616 -8.923 13.040 1.00 10.00 N ATOM 394 CD2 HIS A 26 5.570 -8.931 12.184 1.00 10.00 C ATOM 395 CE1 HIS A 26 6.921 -9.927 13.600 1.00 10.00 C ATOM 396 NE2 HIS A 26 5.674 -9.977 13.106 1.00 10.00 N ATOM 0 H HIS A 26 8.389 -9.031 10.133 1.00 10.00 H new ATOM 0 HA HIS A 26 5.976 -7.568 9.532 1.00 10.00 H new ATOM 0 HB2 HIS A 26 8.189 -6.852 11.459 1.00 10.00 H new ATOM 0 HB3 HIS A 26 6.529 -6.289 11.469 1.00 10.00 H new ATOM 0 HD2 HIS A 26 4.694 -8.675 11.606 1.00 10.00 H new ATOM 0 HE1 HIS A 26 7.313 -10.602 14.346 1.00 10.00 H new ATOM 0 HE2 HIS A 26 4.946 -10.646 13.354 1.00 10.00 H new ATOM 404 N LYS A 27 8.872 -5.989 9.125 1.00 10.00 N ATOM 405 CA LYS A 27 9.598 -4.953 8.396 1.00 10.00 C ATOM 406 C LYS A 27 8.854 -3.608 8.431 1.00 10.00 C ATOM 407 O LYS A 27 7.873 -3.442 9.154 1.00 10.00 O ATOM 408 CB LYS A 27 9.937 -5.453 6.978 1.00 10.00 C ATOM 409 CG LYS A 27 10.849 -6.693 7.045 1.00 10.00 C ATOM 410 CD LYS A 27 12.264 -6.400 6.522 1.00 10.00 C ATOM 411 CE LYS A 27 13.287 -7.350 7.162 1.00 10.00 C ATOM 412 NZ LYS A 27 14.532 -7.437 6.371 1.00 10.00 N ATOM 0 H LYS A 27 9.425 -6.411 9.871 1.00 10.00 H new ATOM 0 HA LYS A 27 10.548 -4.754 8.893 1.00 10.00 H new ATOM 0 HB2 LYS A 27 9.019 -5.698 6.444 1.00 10.00 H new ATOM 0 HB3 LYS A 27 10.431 -4.661 6.416 1.00 10.00 H new ATOM 0 HG2 LYS A 27 10.909 -7.043 8.076 1.00 10.00 H new ATOM 0 HG3 LYS A 27 10.407 -7.500 6.460 1.00 10.00 H new ATOM 0 HD2 LYS A 27 12.286 -6.510 5.438 1.00 10.00 H new ATOM 0 HD3 LYS A 27 12.532 -5.367 6.743 1.00 10.00 H new ATOM 0 HE2 LYS A 27 13.521 -7.006 8.169 1.00 10.00 H new ATOM 0 HE3 LYS A 27 12.849 -8.343 7.258 1.00 10.00 H new ATOM 0 HZ1 LYS A 27 15.195 -8.088 6.838 1.00 10.00 H new ATOM 0 HZ2 LYS A 27 14.314 -7.790 5.417 1.00 10.00 H new ATOM 0 HZ3 LYS A 27 14.965 -6.494 6.300 1.00 10.00 H new ATOM 426 N THR A 28 9.371 -2.612 7.707 1.00 10.00 N ATOM 427 CA THR A 28 8.791 -1.281 7.687 1.00 10.00 C ATOM 428 C THR A 28 7.367 -1.322 7.130 1.00 10.00 C ATOM 429 O THR A 28 6.449 -0.817 7.770 1.00 10.00 O ATOM 430 CB THR A 28 9.727 -0.327 6.934 1.00 10.00 C ATOM 431 OG1 THR A 28 10.985 -0.336 7.577 1.00 10.00 O ATOM 432 CG2 THR A 28 9.181 1.104 6.901 1.00 10.00 C ATOM 0 H THR A 28 10.201 -2.712 7.122 1.00 10.00 H new ATOM 0 HA THR A 28 8.696 -0.893 8.701 1.00 10.00 H new ATOM 0 HB THR A 28 9.812 -0.668 5.902 1.00 10.00 H new ATOM 0 HG1 THR A 28 11.597 0.268 7.107 1.00 10.00 H new ATOM 0 HG21 THR A 28 9.875 1.746 6.358 1.00 10.00 H new ATOM 0 HG22 THR A 28 8.212 1.112 6.401 1.00 10.00 H new ATOM 0 HG23 THR A 28 9.067 1.473 7.920 1.00 10.00 H new ATOM 440 N GLY A 29 7.167 -1.889 5.938 1.00 10.00 N ATOM 441 CA GLY A 29 5.840 -2.005 5.365 1.00 10.00 C ATOM 442 C GLY A 29 5.175 -3.253 5.931 1.00 10.00 C ATOM 443 O GLY A 29 5.744 -4.334 5.840 1.00 10.00 O ATOM 0 H GLY A 29 7.912 -2.273 5.357 1.00 10.00 H new ATOM 0 HA2 GLY A 29 5.248 -1.121 5.600 1.00 10.00 H new ATOM 0 HA3 GLY A 29 5.901 -2.068 4.279 1.00 10.00 H new ATOM 447 N PRO A 30 3.975 -3.153 6.517 1.00 10.00 N ATOM 448 CA PRO A 30 3.305 -4.336 7.004 1.00 10.00 C ATOM 449 C PRO A 30 3.049 -5.283 5.833 1.00 10.00 C ATOM 450 O PRO A 30 2.800 -4.848 4.701 1.00 10.00 O ATOM 451 CB PRO A 30 2.014 -3.853 7.667 1.00 10.00 C ATOM 452 CG PRO A 30 1.767 -2.463 7.077 1.00 10.00 C ATOM 453 CD PRO A 30 3.158 -1.967 6.679 1.00 10.00 C ATOM 0 HA PRO A 30 3.898 -4.893 7.729 1.00 10.00 H new ATOM 0 HB2 PRO A 30 1.184 -4.526 7.453 1.00 10.00 H new ATOM 0 HB3 PRO A 30 2.118 -3.810 8.751 1.00 10.00 H new ATOM 0 HG2 PRO A 30 1.100 -2.509 6.216 1.00 10.00 H new ATOM 0 HG3 PRO A 30 1.302 -1.799 7.805 1.00 10.00 H new ATOM 0 HD2 PRO A 30 3.117 -1.392 5.754 1.00 10.00 H new ATOM 0 HD3 PRO A 30 3.572 -1.310 7.444 1.00 10.00 H new ATOM 461 N ASN A 31 3.106 -6.586 6.117 1.00 10.00 N ATOM 462 CA ASN A 31 2.699 -7.604 5.172 1.00 10.00 C ATOM 463 C ASN A 31 1.224 -7.383 4.866 1.00 10.00 C ATOM 464 O ASN A 31 0.353 -7.804 5.620 1.00 10.00 O ATOM 465 CB ASN A 31 2.970 -9.015 5.717 1.00 10.00 C ATOM 466 CG ASN A 31 2.258 -9.300 7.040 1.00 10.00 C ATOM 467 OD1 ASN A 31 2.594 -8.710 8.061 1.00 10.00 O ATOM 468 ND2 ASN A 31 1.273 -10.197 7.039 1.00 10.00 N ATOM 0 H ASN A 31 3.436 -6.955 7.009 1.00 10.00 H new ATOM 0 HA ASN A 31 3.281 -7.525 4.254 1.00 10.00 H new ATOM 0 HB2 ASN A 31 2.654 -9.750 4.977 1.00 10.00 H new ATOM 0 HB3 ASN A 31 4.044 -9.144 5.855 1.00 10.00 H new ATOM 0 HD21 ASN A 31 0.776 -10.409 7.904 1.00 10.00 H new ATOM 0 HD22 ASN A 31 1.016 -10.672 6.173 1.00 10.00 H new ATOM 475 N LEU A 32 0.935 -6.706 3.756 1.00 10.00 N ATOM 476 CA LEU A 32 -0.411 -6.262 3.421 1.00 10.00 C ATOM 477 C LEU A 32 -1.289 -7.415 2.885 1.00 10.00 C ATOM 478 O LEU A 32 -2.093 -7.253 1.968 1.00 10.00 O ATOM 479 CB LEU A 32 -0.298 -5.046 2.478 1.00 10.00 C ATOM 480 CG LEU A 32 -0.452 -3.686 3.181 1.00 10.00 C ATOM 481 CD1 LEU A 32 -0.376 -2.612 2.091 1.00 10.00 C ATOM 482 CD2 LEU A 32 -1.724 -3.568 4.034 1.00 10.00 C ATOM 0 H LEU A 32 1.636 -6.450 3.061 1.00 10.00 H new ATOM 0 HA LEU A 32 -0.940 -5.938 4.318 1.00 10.00 H new ATOM 0 HB2 LEU A 32 0.670 -5.077 1.979 1.00 10.00 H new ATOM 0 HB3 LEU A 32 -1.059 -5.130 1.703 1.00 10.00 H new ATOM 0 HG LEU A 32 0.351 -3.560 3.907 1.00 10.00 H new ATOM 0 HD11 LEU A 32 -0.481 -1.626 2.544 1.00 10.00 H new ATOM 0 HD12 LEU A 32 0.586 -2.677 1.582 1.00 10.00 H new ATOM 0 HD13 LEU A 32 -1.179 -2.768 1.370 1.00 10.00 H new ATOM 0 HD21 LEU A 32 -1.761 -2.582 4.497 1.00 10.00 H new ATOM 0 HD22 LEU A 32 -2.601 -3.705 3.401 1.00 10.00 H new ATOM 0 HD23 LEU A 32 -1.714 -4.333 4.810 1.00 10.00 H new ATOM 494 N HIS A 33 -1.145 -8.599 3.478 1.00 10.00 N ATOM 495 CA HIS A 33 -1.853 -9.810 3.126 1.00 10.00 C ATOM 496 C HIS A 33 -3.325 -9.600 3.493 1.00 10.00 C ATOM 497 O HIS A 33 -3.666 -9.480 4.667 1.00 10.00 O ATOM 498 CB HIS A 33 -1.178 -10.960 3.880 1.00 10.00 C ATOM 499 CG HIS A 33 -1.712 -12.326 3.548 1.00 10.00 C ATOM 500 ND1 HIS A 33 -1.335 -13.130 2.492 1.00 10.00 N ATOM 501 CD2 HIS A 33 -2.496 -13.073 4.379 1.00 10.00 C ATOM 502 CE1 HIS A 33 -1.895 -14.338 2.692 1.00 10.00 C ATOM 503 NE2 HIS A 33 -2.595 -14.357 3.841 1.00 10.00 N ATOM 0 H HIS A 33 -0.498 -8.737 4.254 1.00 10.00 H new ATOM 0 HA HIS A 33 -1.819 -10.054 2.064 1.00 10.00 H new ATOM 0 HB2 HIS A 33 -0.110 -10.940 3.665 1.00 10.00 H new ATOM 0 HB3 HIS A 33 -1.291 -10.791 4.951 1.00 10.00 H new ATOM 0 HD2 HIS A 33 -2.959 -12.730 5.293 1.00 10.00 H new ATOM 0 HE1 HIS A 33 -1.796 -15.178 2.021 1.00 10.00 H new ATOM 0 HE2 HIS A 33 -3.097 -15.151 4.239 1.00 10.00 H new ATOM 511 N GLY A 34 -4.177 -9.478 2.476 1.00 10.00 N ATOM 512 CA GLY A 34 -5.575 -9.108 2.606 1.00 10.00 C ATOM 513 C GLY A 34 -5.777 -7.604 2.810 1.00 10.00 C ATOM 514 O GLY A 34 -6.739 -7.200 3.459 1.00 10.00 O ATOM 0 H GLY A 34 -3.898 -9.641 1.509 1.00 10.00 H new ATOM 0 HA2 GLY A 34 -6.114 -9.424 1.713 1.00 10.00 H new ATOM 0 HA3 GLY A 34 -6.011 -9.646 3.448 1.00 10.00 H new ATOM 518 N LEU A 35 -4.905 -6.767 2.229 1.00 10.00 N ATOM 519 CA LEU A 35 -5.135 -5.329 2.122 1.00 10.00 C ATOM 520 C LEU A 35 -6.523 -5.056 1.544 1.00 10.00 C ATOM 521 O LEU A 35 -7.347 -4.359 2.136 1.00 10.00 O ATOM 522 CB LEU A 35 -4.068 -4.726 1.191 1.00 10.00 C ATOM 523 CG LEU A 35 -4.276 -3.283 0.688 1.00 10.00 C ATOM 524 CD1 LEU A 35 -4.190 -2.215 1.775 1.00 10.00 C ATOM 525 CD2 LEU A 35 -3.220 -2.991 -0.381 1.00 10.00 C ATOM 0 H LEU A 35 -4.022 -7.074 1.822 1.00 10.00 H new ATOM 0 HA LEU A 35 -5.072 -4.878 3.112 1.00 10.00 H new ATOM 0 HB2 LEU A 35 -3.111 -4.763 1.712 1.00 10.00 H new ATOM 0 HB3 LEU A 35 -3.981 -5.374 0.319 1.00 10.00 H new ATOM 0 HG LEU A 35 -5.292 -3.231 0.296 1.00 10.00 H new ATOM 0 HD11 LEU A 35 -4.348 -1.232 1.332 1.00 10.00 H new ATOM 0 HD12 LEU A 35 -4.955 -2.401 2.529 1.00 10.00 H new ATOM 0 HD13 LEU A 35 -3.205 -2.249 2.241 1.00 10.00 H new ATOM 0 HD21 LEU A 35 -3.349 -1.974 -0.751 1.00 10.00 H new ATOM 0 HD22 LEU A 35 -2.225 -3.096 0.052 1.00 10.00 H new ATOM 0 HD23 LEU A 35 -3.333 -3.694 -1.206 1.00 10.00 H new ATOM 537 N PHE A 36 -6.748 -5.595 0.344 1.00 10.00 N ATOM 538 CA PHE A 36 -8.005 -5.464 -0.363 1.00 10.00 C ATOM 539 C PHE A 36 -9.084 -6.192 0.431 1.00 10.00 C ATOM 540 O PHE A 36 -8.944 -7.381 0.707 1.00 10.00 O ATOM 541 CB PHE A 36 -7.881 -6.037 -1.781 1.00 10.00 C ATOM 542 CG PHE A 36 -7.198 -5.103 -2.763 1.00 10.00 C ATOM 543 CD1 PHE A 36 -5.814 -4.873 -2.675 1.00 10.00 C ATOM 544 CD2 PHE A 36 -7.959 -4.410 -3.726 1.00 10.00 C ATOM 545 CE1 PHE A 36 -5.213 -3.902 -3.491 1.00 10.00 C ATOM 546 CE2 PHE A 36 -7.343 -3.474 -4.575 1.00 10.00 C ATOM 547 CZ PHE A 36 -5.977 -3.186 -4.421 1.00 10.00 C ATOM 0 H PHE A 36 -6.049 -6.139 -0.162 1.00 10.00 H new ATOM 0 HA PHE A 36 -8.274 -4.412 -0.458 1.00 10.00 H new ATOM 0 HB2 PHE A 36 -7.324 -6.973 -1.737 1.00 10.00 H new ATOM 0 HB3 PHE A 36 -8.877 -6.276 -2.154 1.00 10.00 H new ATOM 0 HD1 PHE A 36 -5.214 -5.443 -1.981 1.00 10.00 H new ATOM 0 HD2 PHE A 36 -9.019 -4.599 -3.812 1.00 10.00 H new ATOM 0 HE1 PHE A 36 -4.155 -3.706 -3.401 1.00 10.00 H new ATOM 0 HE2 PHE A 36 -7.918 -2.978 -5.343 1.00 10.00 H new ATOM 0 HZ PHE A 36 -5.516 -2.413 -5.019 1.00 10.00 H new ATOM 557 N GLY A 37 -10.159 -5.481 0.777 1.00 10.00 N ATOM 558 CA GLY A 37 -11.283 -6.049 1.507 1.00 10.00 C ATOM 559 C GLY A 37 -11.185 -5.809 3.012 1.00 10.00 C ATOM 560 O GLY A 37 -11.806 -6.529 3.790 1.00 10.00 O ATOM 0 H GLY A 37 -10.270 -4.492 0.556 1.00 10.00 H new ATOM 0 HA2 GLY A 37 -12.211 -5.616 1.133 1.00 10.00 H new ATOM 0 HA3 GLY A 37 -11.332 -7.121 1.316 1.00 10.00 H new ATOM 564 N ARG A 38 -10.452 -4.774 3.432 1.00 10.00 N ATOM 565 CA ARG A 38 -10.439 -4.313 4.810 1.00 10.00 C ATOM 566 C ARG A 38 -10.290 -2.791 4.782 1.00 10.00 C ATOM 567 O ARG A 38 -9.965 -2.213 3.741 1.00 10.00 O ATOM 568 CB ARG A 38 -9.334 -5.051 5.589 1.00 10.00 C ATOM 569 CG ARG A 38 -9.652 -5.226 7.084 1.00 10.00 C ATOM 570 CD ARG A 38 -8.763 -6.327 7.682 1.00 10.00 C ATOM 571 NE ARG A 38 -8.996 -6.496 9.126 1.00 10.00 N ATOM 572 CZ ARG A 38 -8.410 -7.425 9.899 1.00 10.00 C ATOM 573 NH1 ARG A 38 -7.610 -8.344 9.347 1.00 10.00 N ATOM 574 NH2 ARG A 38 -8.634 -7.432 11.219 1.00 10.00 N ATOM 0 H ARG A 38 -9.848 -4.232 2.814 1.00 10.00 H new ATOM 0 HA ARG A 38 -11.364 -4.541 5.339 1.00 10.00 H new ATOM 0 HB2 ARG A 38 -9.178 -6.032 5.141 1.00 10.00 H new ATOM 0 HB3 ARG A 38 -8.398 -4.501 5.486 1.00 10.00 H new ATOM 0 HG2 ARG A 38 -9.488 -4.287 7.612 1.00 10.00 H new ATOM 0 HG3 ARG A 38 -10.703 -5.485 7.213 1.00 10.00 H new ATOM 0 HD2 ARG A 38 -8.958 -7.269 7.170 1.00 10.00 H new ATOM 0 HD3 ARG A 38 -7.715 -6.081 7.510 1.00 10.00 H new ATOM 0 HE ARG A 38 -9.654 -5.858 9.574 1.00 10.00 H new ATOM 0 HH11 ARG A 38 -7.446 -8.339 8.340 1.00 10.00 H new ATOM 0 HH12 ARG A 38 -7.164 -9.050 9.933 1.00 10.00 H new ATOM 0 HH21 ARG A 38 -9.249 -6.733 11.636 1.00 10.00 H new ATOM 0 HH22 ARG A 38 -8.190 -8.137 11.808 1.00 10.00 H new ATOM 588 N LYS A 39 -10.603 -2.141 5.904 1.00 10.00 N ATOM 589 CA LYS A 39 -10.508 -0.697 6.065 1.00 10.00 C ATOM 590 C LYS A 39 -9.184 -0.366 6.753 1.00 10.00 C ATOM 591 O LYS A 39 -8.445 -1.265 7.151 1.00 10.00 O ATOM 592 CB LYS A 39 -11.728 -0.197 6.855 1.00 10.00 C ATOM 593 CG LYS A 39 -13.001 -0.441 6.031 1.00 10.00 C ATOM 594 CD LYS A 39 -14.290 -0.218 6.833 1.00 10.00 C ATOM 595 CE LYS A 39 -15.447 -0.936 6.115 1.00 10.00 C ATOM 596 NZ LYS A 39 -16.766 -0.342 6.415 1.00 10.00 N ATOM 0 H LYS A 39 -10.936 -2.618 6.742 1.00 10.00 H new ATOM 0 HA LYS A 39 -10.516 -0.189 5.101 1.00 10.00 H new ATOM 0 HB2 LYS A 39 -11.795 -0.717 7.811 1.00 10.00 H new ATOM 0 HB3 LYS A 39 -11.622 0.865 7.076 1.00 10.00 H new ATOM 0 HG2 LYS A 39 -12.999 0.222 5.166 1.00 10.00 H new ATOM 0 HG3 LYS A 39 -12.990 -1.462 5.650 1.00 10.00 H new ATOM 0 HD2 LYS A 39 -14.176 -0.604 7.846 1.00 10.00 H new ATOM 0 HD3 LYS A 39 -14.502 0.848 6.919 1.00 10.00 H new ATOM 0 HE2 LYS A 39 -15.276 -0.904 5.039 1.00 10.00 H new ATOM 0 HE3 LYS A 39 -15.452 -1.986 6.406 1.00 10.00 H new ATOM 0 HZ1 LYS A 39 -17.506 -0.865 5.905 1.00 10.00 H new ATOM 0 HZ2 LYS A 39 -16.946 -0.395 7.438 1.00 10.00 H new ATOM 0 HZ3 LYS A 39 -16.775 0.653 6.113 1.00 10.00 H new ATOM 610 N THR A 40 -8.871 0.919 6.891 1.00 10.00 N ATOM 611 CA THR A 40 -7.716 1.372 7.633 1.00 10.00 C ATOM 612 C THR A 40 -7.868 1.082 9.124 1.00 10.00 C ATOM 613 O THR A 40 -8.914 0.638 9.593 1.00 10.00 O ATOM 614 CB THR A 40 -7.539 2.865 7.357 1.00 10.00 C ATOM 615 OG1 THR A 40 -8.767 3.538 7.527 1.00 10.00 O ATOM 616 CG2 THR A 40 -7.091 3.036 5.915 1.00 10.00 C ATOM 0 H THR A 40 -9.421 1.676 6.485 1.00 10.00 H new ATOM 0 HA THR A 40 -6.825 0.833 7.311 1.00 10.00 H new ATOM 0 HB THR A 40 -6.803 3.277 8.047 1.00 10.00 H new ATOM 0 HG1 THR A 40 -9.083 3.415 8.447 1.00 10.00 H new ATOM 0 HG21 THR A 40 -6.959 4.096 5.698 1.00 10.00 H new ATOM 0 HG22 THR A 40 -6.146 2.514 5.763 1.00 10.00 H new ATOM 0 HG23 THR A 40 -7.846 2.621 5.248 1.00 10.00 H new ATOM 624 N GLY A 41 -6.796 1.356 9.861 1.00 10.00 N ATOM 625 CA GLY A 41 -6.687 1.112 11.291 1.00 10.00 C ATOM 626 C GLY A 41 -6.936 -0.344 11.678 1.00 10.00 C ATOM 627 O GLY A 41 -7.355 -0.607 12.801 1.00 10.00 O ATOM 0 H GLY A 41 -5.952 1.768 9.463 1.00 10.00 H new ATOM 0 HA2 GLY A 41 -5.692 1.405 11.627 1.00 10.00 H new ATOM 0 HA3 GLY A 41 -7.401 1.747 11.816 1.00 10.00 H new ATOM 631 N GLN A 42 -6.668 -1.287 10.768 1.00 10.00 N ATOM 632 CA GLN A 42 -6.929 -2.710 10.961 1.00 10.00 C ATOM 633 C GLN A 42 -5.693 -3.521 10.564 1.00 10.00 C ATOM 634 O GLN A 42 -5.792 -4.534 9.873 1.00 10.00 O ATOM 635 CB GLN A 42 -8.170 -3.106 10.146 1.00 10.00 C ATOM 636 CG GLN A 42 -9.473 -2.561 10.746 1.00 10.00 C ATOM 637 CD GLN A 42 -9.881 -3.361 11.980 1.00 10.00 C ATOM 638 OE1 GLN A 42 -9.449 -3.086 13.091 1.00 10.00 O ATOM 639 NE2 GLN A 42 -10.708 -4.390 11.802 1.00 10.00 N ATOM 0 H GLN A 42 -6.255 -1.074 9.860 1.00 10.00 H new ATOM 0 HA GLN A 42 -7.132 -2.923 12.010 1.00 10.00 H new ATOM 0 HB2 GLN A 42 -8.062 -2.737 9.126 1.00 10.00 H new ATOM 0 HB3 GLN A 42 -8.229 -4.193 10.087 1.00 10.00 H new ATOM 0 HG2 GLN A 42 -9.344 -1.512 11.014 1.00 10.00 H new ATOM 0 HG3 GLN A 42 -10.267 -2.604 10.001 1.00 10.00 H new ATOM 0 HE21 GLN A 42 -11.060 -4.606 10.869 1.00 10.00 H new ATOM 0 HE22 GLN A 42 -10.990 -4.962 12.598 1.00 10.00 H new ATOM 648 N ALA A 43 -4.522 -3.073 11.019 1.00 10.00 N ATOM 649 CA ALA A 43 -3.266 -3.761 10.768 1.00 10.00 C ATOM 650 C ALA A 43 -3.138 -4.954 11.721 1.00 10.00 C ATOM 651 O ALA A 43 -3.406 -4.801 12.915 1.00 10.00 O ATOM 652 CB ALA A 43 -2.104 -2.795 10.973 1.00 10.00 C ATOM 0 H ALA A 43 -4.423 -2.222 11.572 1.00 10.00 H new ATOM 0 HA ALA A 43 -3.246 -4.124 9.740 1.00 10.00 H new ATOM 0 HB1 ALA A 43 -1.163 -3.312 10.784 1.00 10.00 H new ATOM 0 HB2 ALA A 43 -2.202 -1.957 10.283 1.00 10.00 H new ATOM 0 HB3 ALA A 43 -2.115 -2.425 11.998 1.00 10.00 H new ATOM 658 N PRO A 44 -2.735 -6.141 11.244 1.00 10.00 N ATOM 659 CA PRO A 44 -2.676 -7.320 12.086 1.00 10.00 C ATOM 660 C PRO A 44 -1.468 -7.268 13.027 1.00 10.00 C ATOM 661 O PRO A 44 -0.422 -7.838 12.729 1.00 10.00 O ATOM 662 CB PRO A 44 -2.638 -8.507 11.117 1.00 10.00 C ATOM 663 CG PRO A 44 -1.967 -7.928 9.870 1.00 10.00 C ATOM 664 CD PRO A 44 -2.434 -6.471 9.859 1.00 10.00 C ATOM 0 HA PRO A 44 -3.535 -7.401 12.752 1.00 10.00 H new ATOM 0 HB2 PRO A 44 -2.070 -9.342 11.527 1.00 10.00 H new ATOM 0 HB3 PRO A 44 -3.639 -8.879 10.898 1.00 10.00 H new ATOM 0 HG2 PRO A 44 -0.881 -8.001 9.928 1.00 10.00 H new ATOM 0 HG3 PRO A 44 -2.275 -8.455 8.967 1.00 10.00 H new ATOM 0 HD2 PRO A 44 -1.660 -5.815 9.460 1.00 10.00 H new ATOM 0 HD3 PRO A 44 -3.314 -6.347 9.227 1.00 10.00 H new ATOM 672 N GLY A 45 -1.629 -6.601 14.176 1.00 10.00 N ATOM 673 CA GLY A 45 -0.640 -6.586 15.249 1.00 10.00 C ATOM 674 C GLY A 45 0.702 -6.056 14.750 1.00 10.00 C ATOM 675 O GLY A 45 1.718 -6.746 14.797 1.00 10.00 O ATOM 0 H GLY A 45 -2.462 -6.051 14.385 1.00 10.00 H new ATOM 0 HA2 GLY A 45 -0.998 -5.964 16.070 1.00 10.00 H new ATOM 0 HA3 GLY A 45 -0.512 -7.594 15.645 1.00 10.00 H new ATOM 679 N PHE A 46 0.683 -4.816 14.259 1.00 10.00 N ATOM 680 CA PHE A 46 1.799 -4.156 13.600 1.00 10.00 C ATOM 681 C PHE A 46 1.957 -2.754 14.202 1.00 10.00 C ATOM 682 O PHE A 46 1.022 -2.221 14.802 1.00 10.00 O ATOM 683 CB PHE A 46 1.490 -4.102 12.098 1.00 10.00 C ATOM 684 CG PHE A 46 2.262 -3.057 11.319 1.00 10.00 C ATOM 685 CD1 PHE A 46 3.618 -3.270 11.006 1.00 10.00 C ATOM 686 CD2 PHE A 46 1.661 -1.816 11.023 1.00 10.00 C ATOM 687 CE1 PHE A 46 4.374 -2.241 10.419 1.00 10.00 C ATOM 688 CE2 PHE A 46 2.414 -0.796 10.420 1.00 10.00 C ATOM 689 CZ PHE A 46 3.779 -0.995 10.158 1.00 10.00 C ATOM 0 H PHE A 46 -0.146 -4.225 14.314 1.00 10.00 H new ATOM 0 HA PHE A 46 2.737 -4.693 13.744 1.00 10.00 H new ATOM 0 HB2 PHE A 46 1.696 -5.081 11.665 1.00 10.00 H new ATOM 0 HB3 PHE A 46 0.424 -3.915 11.969 1.00 10.00 H new ATOM 0 HD1 PHE A 46 4.077 -4.224 11.217 1.00 10.00 H new ATOM 0 HD2 PHE A 46 0.621 -1.650 11.260 1.00 10.00 H new ATOM 0 HE1 PHE A 46 5.411 -2.408 10.169 1.00 10.00 H new ATOM 0 HE2 PHE A 46 1.944 0.140 10.158 1.00 10.00 H new ATOM 0 HZ PHE A 46 4.373 -0.188 9.755 1.00 10.00 H new ATOM 699 N THR A 47 3.138 -2.158 14.042 1.00 10.00 N ATOM 700 CA THR A 47 3.494 -0.855 14.569 1.00 10.00 C ATOM 701 C THR A 47 2.924 0.243 13.661 1.00 10.00 C ATOM 702 O THR A 47 3.653 0.802 12.842 1.00 10.00 O ATOM 703 CB THR A 47 5.027 -0.810 14.643 1.00 10.00 C ATOM 704 OG1 THR A 47 5.560 -1.064 13.359 1.00 10.00 O ATOM 705 CG2 THR A 47 5.568 -1.892 15.587 1.00 10.00 C ATOM 0 H THR A 47 3.899 -2.593 13.520 1.00 10.00 H new ATOM 0 HA THR A 47 3.077 -0.687 15.562 1.00 10.00 H new ATOM 0 HB THR A 47 5.316 0.174 15.011 1.00 10.00 H new ATOM 0 HG1 THR A 47 5.117 -0.488 12.701 1.00 10.00 H new ATOM 0 HG21 THR A 47 6.656 -1.836 15.619 1.00 10.00 H new ATOM 0 HG22 THR A 47 5.167 -1.735 16.588 1.00 10.00 H new ATOM 0 HG23 THR A 47 5.266 -2.875 15.225 1.00 10.00 H new ATOM 713 N TYR A 48 1.628 0.534 13.801 1.00 10.00 N ATOM 714 CA TYR A 48 0.920 1.535 13.020 1.00 10.00 C ATOM 715 C TYR A 48 1.305 2.930 13.498 1.00 10.00 C ATOM 716 O TYR A 48 1.842 3.078 14.597 1.00 10.00 O ATOM 717 CB TYR A 48 -0.594 1.293 13.141 1.00 10.00 C ATOM 718 CG TYR A 48 -1.129 1.194 14.558 1.00 10.00 C ATOM 719 CD1 TYR A 48 -1.292 2.353 15.342 1.00 10.00 C ATOM 720 CD2 TYR A 48 -1.466 -0.063 15.093 1.00 10.00 C ATOM 721 CE1 TYR A 48 -1.728 2.247 16.675 1.00 10.00 C ATOM 722 CE2 TYR A 48 -1.929 -0.164 16.415 1.00 10.00 C ATOM 723 CZ TYR A 48 -2.035 0.986 17.214 1.00 10.00 C ATOM 724 OH TYR A 48 -2.442 0.871 18.509 1.00 10.00 O ATOM 0 H TYR A 48 1.031 0.063 14.481 1.00 10.00 H new ATOM 0 HA TYR A 48 1.197 1.457 11.969 1.00 10.00 H new ATOM 0 HB2 TYR A 48 -1.116 2.102 12.630 1.00 10.00 H new ATOM 0 HB3 TYR A 48 -0.840 0.372 12.613 1.00 10.00 H new ATOM 0 HD1 TYR A 48 -1.082 3.324 14.919 1.00 10.00 H new ATOM 0 HD2 TYR A 48 -1.368 -0.951 14.486 1.00 10.00 H new ATOM 0 HE1 TYR A 48 -1.827 3.134 17.284 1.00 10.00 H new ATOM 0 HE2 TYR A 48 -2.204 -1.128 16.818 1.00 10.00 H new ATOM 0 HH TYR A 48 -2.613 -0.072 18.716 1.00 10.00 H new ATOM 734 N THR A 49 0.993 3.953 12.701 1.00 10.00 N ATOM 735 CA THR A 49 1.228 5.340 13.069 1.00 10.00 C ATOM 736 C THR A 49 -0.119 6.050 13.239 1.00 10.00 C ATOM 737 O THR A 49 -1.163 5.505 12.868 1.00 10.00 O ATOM 738 CB THR A 49 2.087 6.011 11.987 1.00 10.00 C ATOM 739 OG1 THR A 49 1.360 6.051 10.778 1.00 10.00 O ATOM 740 CG2 THR A 49 3.418 5.276 11.778 1.00 10.00 C ATOM 0 H THR A 49 0.569 3.837 11.780 1.00 10.00 H new ATOM 0 HA THR A 49 1.766 5.400 14.015 1.00 10.00 H new ATOM 0 HB THR A 49 2.323 7.023 12.316 1.00 10.00 H new ATOM 0 HG1 THR A 49 1.910 5.686 10.053 1.00 10.00 H new ATOM 0 HG21 THR A 49 3.996 5.782 11.005 1.00 10.00 H new ATOM 0 HG22 THR A 49 3.983 5.274 12.710 1.00 10.00 H new ATOM 0 HG23 THR A 49 3.222 4.249 11.470 1.00 10.00 H new ATOM 748 N ASP A 50 -0.138 7.281 13.768 1.00 10.00 N ATOM 749 CA ASP A 50 -1.379 8.052 13.820 1.00 10.00 C ATOM 750 C ASP A 50 -1.640 8.700 12.461 1.00 10.00 C ATOM 751 O ASP A 50 -1.621 9.917 12.296 1.00 10.00 O ATOM 752 CB ASP A 50 -1.407 9.032 14.995 1.00 10.00 C ATOM 753 CG ASP A 50 -2.852 9.191 15.441 1.00 10.00 C ATOM 754 OD1 ASP A 50 -3.581 9.969 14.793 1.00 10.00 O ATOM 755 OD2 ASP A 50 -3.246 8.427 16.353 1.00 10.00 O ATOM 0 H ASP A 50 0.677 7.754 14.158 1.00 10.00 H new ATOM 0 HA ASP A 50 -2.210 7.375 14.018 1.00 10.00 H new ATOM 0 HB2 ASP A 50 -0.794 8.660 15.816 1.00 10.00 H new ATOM 0 HB3 ASP A 50 -0.992 9.995 14.698 1.00 10.00 H new ATOM 760 N ALA A 51 -1.845 7.839 11.466 1.00 10.00 N ATOM 761 CA ALA A 51 -2.055 8.231 10.087 1.00 10.00 C ATOM 762 C ALA A 51 -2.824 7.138 9.368 1.00 10.00 C ATOM 763 O ALA A 51 -3.849 7.406 8.751 1.00 10.00 O ATOM 764 CB ALA A 51 -0.720 8.499 9.396 1.00 10.00 C ATOM 0 H ALA A 51 -1.869 6.829 11.606 1.00 10.00 H new ATOM 0 HA ALA A 51 -2.635 9.153 10.058 1.00 10.00 H new ATOM 0 HB1 ALA A 51 -0.898 8.792 8.361 1.00 10.00 H new ATOM 0 HB2 ALA A 51 -0.196 9.301 9.915 1.00 10.00 H new ATOM 0 HB3 ALA A 51 -0.111 7.595 9.417 1.00 10.00 H new ATOM 770 N ASN A 52 -2.372 5.886 9.472 1.00 10.00 N ATOM 771 CA ASN A 52 -3.075 4.748 8.891 1.00 10.00 C ATOM 772 C ASN A 52 -4.182 4.208 9.796 1.00 10.00 C ATOM 773 O ASN A 52 -4.719 3.134 9.533 1.00 10.00 O ATOM 774 CB ASN A 52 -2.089 3.656 8.480 1.00 10.00 C ATOM 775 CG ASN A 52 -1.508 2.877 9.647 1.00 10.00 C ATOM 776 OD1 ASN A 52 -1.177 3.465 10.675 1.00 10.00 O ATOM 777 ND2 ASN A 52 -1.407 1.560 9.490 1.00 10.00 N ATOM 0 H ASN A 52 -1.512 5.637 9.960 1.00 10.00 H new ATOM 0 HA ASN A 52 -3.577 5.106 7.992 1.00 10.00 H new ATOM 0 HB2 ASN A 52 -2.592 2.961 7.807 1.00 10.00 H new ATOM 0 HB3 ASN A 52 -1.273 4.110 7.918 1.00 10.00 H new ATOM 0 HD21 ASN A 52 -1.039 0.983 10.246 1.00 10.00 H new ATOM 0 HD22 ASN A 52 -1.698 1.127 8.613 1.00 10.00 H new ATOM 784 N LYS A 53 -4.556 4.973 10.824 1.00 10.00 N ATOM 785 CA LYS A 53 -5.583 4.635 11.792 1.00 10.00 C ATOM 786 C LYS A 53 -6.714 5.655 11.680 1.00 10.00 C ATOM 787 O LYS A 53 -7.842 5.298 11.351 1.00 10.00 O ATOM 788 CB LYS A 53 -4.927 4.600 13.177 1.00 10.00 C ATOM 789 CG LYS A 53 -5.852 4.051 14.273 1.00 10.00 C ATOM 790 CD LYS A 53 -5.169 4.199 15.641 1.00 10.00 C ATOM 791 CE LYS A 53 -5.271 5.650 16.151 1.00 10.00 C ATOM 792 NZ LYS A 53 -4.068 6.081 16.890 1.00 10.00 N ATOM 0 H LYS A 53 -4.129 5.881 11.006 1.00 10.00 H new ATOM 0 HA LYS A 53 -6.024 3.655 11.610 1.00 10.00 H new ATOM 0 HB2 LYS A 53 -4.027 3.987 13.130 1.00 10.00 H new ATOM 0 HB3 LYS A 53 -4.612 5.608 13.448 1.00 10.00 H new ATOM 0 HG2 LYS A 53 -6.800 4.590 14.268 1.00 10.00 H new ATOM 0 HG3 LYS A 53 -6.080 3.003 14.080 1.00 10.00 H new ATOM 0 HD2 LYS A 53 -5.633 3.523 16.359 1.00 10.00 H new ATOM 0 HD3 LYS A 53 -4.121 3.909 15.562 1.00 10.00 H new ATOM 0 HE2 LYS A 53 -5.431 6.318 15.304 1.00 10.00 H new ATOM 0 HE3 LYS A 53 -6.143 5.742 16.799 1.00 10.00 H new ATOM 0 HZ1 LYS A 53 -4.021 7.120 16.901 1.00 10.00 H new ATOM 0 HZ2 LYS A 53 -4.115 5.727 17.867 1.00 10.00 H new ATOM 0 HZ3 LYS A 53 -3.220 5.701 16.424 1.00 10.00 H new ATOM 806 N ASN A 54 -6.395 6.933 11.910 1.00 10.00 N ATOM 807 CA ASN A 54 -7.357 8.029 11.821 1.00 10.00 C ATOM 808 C ASN A 54 -7.956 8.173 10.415 1.00 10.00 C ATOM 809 O ASN A 54 -9.000 8.800 10.269 1.00 10.00 O ATOM 810 CB ASN A 54 -6.711 9.353 12.291 1.00 10.00 C ATOM 811 CG ASN A 54 -7.144 9.750 13.704 1.00 10.00 C ATOM 812 OD1 ASN A 54 -8.331 9.748 14.013 1.00 10.00 O ATOM 813 ND2 ASN A 54 -6.217 10.104 14.588 1.00 10.00 N ATOM 0 H ASN A 54 -5.455 7.235 12.165 1.00 10.00 H new ATOM 0 HA ASN A 54 -8.186 7.788 12.487 1.00 10.00 H new ATOM 0 HB2 ASN A 54 -5.626 9.254 12.262 1.00 10.00 H new ATOM 0 HB3 ASN A 54 -6.977 10.150 11.596 1.00 10.00 H new ATOM 0 HD21 ASN A 54 -6.490 10.377 15.532 1.00 10.00 H new ATOM 0 HD22 ASN A 54 -5.232 10.103 14.322 1.00 10.00 H new ATOM 820 N LYS A 55 -7.302 7.628 9.380 1.00 10.00 N ATOM 821 CA LYS A 55 -7.707 7.819 7.991 1.00 10.00 C ATOM 822 C LYS A 55 -9.164 7.431 7.738 1.00 10.00 C ATOM 823 O LYS A 55 -9.941 8.220 7.209 1.00 10.00 O ATOM 824 CB LYS A 55 -6.766 7.023 7.075 1.00 10.00 C ATOM 825 CG LYS A 55 -6.684 7.647 5.676 1.00 10.00 C ATOM 826 CD LYS A 55 -5.270 7.575 5.064 1.00 10.00 C ATOM 827 CE LYS A 55 -4.838 6.170 4.600 1.00 10.00 C ATOM 828 NZ LYS A 55 -3.702 5.596 5.366 1.00 10.00 N ATOM 0 H LYS A 55 -6.475 7.041 9.489 1.00 10.00 H new ATOM 0 HA LYS A 55 -7.633 8.883 7.767 1.00 10.00 H new ATOM 0 HB2 LYS A 55 -5.770 6.987 7.517 1.00 10.00 H new ATOM 0 HB3 LYS A 55 -7.117 5.994 6.996 1.00 10.00 H new ATOM 0 HG2 LYS A 55 -7.386 7.138 5.016 1.00 10.00 H new ATOM 0 HG3 LYS A 55 -6.997 8.690 5.731 1.00 10.00 H new ATOM 0 HD2 LYS A 55 -5.223 8.254 4.213 1.00 10.00 H new ATOM 0 HD3 LYS A 55 -4.552 7.936 5.800 1.00 10.00 H new ATOM 0 HE2 LYS A 55 -5.691 5.496 4.678 1.00 10.00 H new ATOM 0 HE3 LYS A 55 -4.564 6.216 3.546 1.00 10.00 H new ATOM 0 HZ1 LYS A 55 -2.948 5.312 4.708 1.00 10.00 H new ATOM 0 HZ2 LYS A 55 -3.334 6.309 6.028 1.00 10.00 H new ATOM 0 HZ3 LYS A 55 -4.028 4.764 5.899 1.00 10.00 H new ATOM 842 N GLY A 56 -9.511 6.192 8.084 1.00 10.00 N ATOM 843 CA GLY A 56 -10.866 5.688 7.992 1.00 10.00 C ATOM 844 C GLY A 56 -11.336 5.519 6.546 1.00 10.00 C ATOM 845 O GLY A 56 -12.366 6.071 6.166 1.00 10.00 O ATOM 0 H GLY A 56 -8.844 5.507 8.440 1.00 10.00 H new ATOM 0 HA2 GLY A 56 -10.928 4.728 8.504 1.00 10.00 H new ATOM 0 HA3 GLY A 56 -11.539 6.370 8.511 1.00 10.00 H new ATOM 849 N ILE A 57 -10.607 4.733 5.744 1.00 10.00 N ATOM 850 CA ILE A 57 -10.956 4.463 4.349 1.00 10.00 C ATOM 851 C ILE A 57 -10.807 2.983 4.011 1.00 10.00 C ATOM 852 O ILE A 57 -10.322 2.208 4.834 1.00 10.00 O ATOM 853 CB ILE A 57 -10.167 5.381 3.394 1.00 10.00 C ATOM 854 CG1 ILE A 57 -8.649 5.170 3.466 1.00 10.00 C ATOM 855 CG2 ILE A 57 -10.565 6.841 3.614 1.00 10.00 C ATOM 856 CD1 ILE A 57 -7.909 6.164 2.563 1.00 10.00 C ATOM 0 H ILE A 57 -9.754 4.265 6.049 1.00 10.00 H new ATOM 0 HA ILE A 57 -12.011 4.700 4.209 1.00 10.00 H new ATOM 0 HB ILE A 57 -10.440 5.102 2.376 1.00 10.00 H new ATOM 0 HG12 ILE A 57 -8.311 5.288 4.495 1.00 10.00 H new ATOM 0 HG13 ILE A 57 -8.406 4.151 3.166 1.00 10.00 H new ATOM 0 HG21 ILE A 57 -10.001 7.478 2.933 1.00 10.00 H new ATOM 0 HG22 ILE A 57 -11.631 6.960 3.422 1.00 10.00 H new ATOM 0 HG23 ILE A 57 -10.347 7.126 4.643 1.00 10.00 H new ATOM 0 HD11 ILE A 57 -6.835 5.991 2.634 1.00 10.00 H new ATOM 0 HD12 ILE A 57 -8.231 6.027 1.531 1.00 10.00 H new ATOM 0 HD13 ILE A 57 -8.134 7.182 2.881 1.00 10.00 H new ATOM 868 N THR A 58 -11.268 2.603 2.811 1.00 10.00 N ATOM 869 CA THR A 58 -11.258 1.240 2.293 1.00 10.00 C ATOM 870 C THR A 58 -10.244 1.129 1.160 1.00 10.00 C ATOM 871 O THR A 58 -10.062 2.076 0.396 1.00 10.00 O ATOM 872 CB THR A 58 -12.660 0.857 1.797 1.00 10.00 C ATOM 873 OG1 THR A 58 -13.592 1.049 2.841 1.00 10.00 O ATOM 874 CG2 THR A 58 -12.732 -0.609 1.347 1.00 10.00 C ATOM 0 H THR A 58 -11.673 3.269 2.153 1.00 10.00 H new ATOM 0 HA THR A 58 -10.972 0.553 3.090 1.00 10.00 H new ATOM 0 HB THR A 58 -12.890 1.491 0.941 1.00 10.00 H new ATOM 0 HG1 THR A 58 -14.489 0.807 2.528 1.00 10.00 H new ATOM 0 HG21 THR A 58 -13.742 -0.835 1.004 1.00 10.00 H new ATOM 0 HG22 THR A 58 -12.027 -0.775 0.533 1.00 10.00 H new ATOM 0 HG23 THR A 58 -12.479 -1.259 2.184 1.00 10.00 H new ATOM 882 N TRP A 59 -9.623 -0.043 1.036 1.00 10.00 N ATOM 883 CA TRP A 59 -8.676 -0.367 -0.016 1.00 10.00 C ATOM 884 C TRP A 59 -9.380 -1.237 -1.055 1.00 10.00 C ATOM 885 O TRP A 59 -9.745 -2.378 -0.772 1.00 10.00 O ATOM 886 CB TRP A 59 -7.482 -1.066 0.624 1.00 10.00 C ATOM 887 CG TRP A 59 -6.896 -0.285 1.758 1.00 10.00 C ATOM 888 CD1 TRP A 59 -7.059 -0.556 3.071 1.00 10.00 C ATOM 889 CD2 TRP A 59 -6.129 0.952 1.693 1.00 10.00 C ATOM 890 NE1 TRP A 59 -6.378 0.384 3.818 1.00 10.00 N ATOM 891 CE2 TRP A 59 -5.814 1.361 3.019 1.00 10.00 C ATOM 892 CE3 TRP A 59 -5.673 1.776 0.642 1.00 10.00 C ATOM 893 CZ2 TRP A 59 -5.081 2.530 3.280 1.00 10.00 C ATOM 894 CZ3 TRP A 59 -4.909 2.929 0.896 1.00 10.00 C ATOM 895 CH2 TRP A 59 -4.636 3.321 2.214 1.00 10.00 C ATOM 0 H TRP A 59 -9.773 -0.813 1.688 1.00 10.00 H new ATOM 0 HA TRP A 59 -8.311 0.523 -0.529 1.00 10.00 H new ATOM 0 HB2 TRP A 59 -7.791 -2.047 0.985 1.00 10.00 H new ATOM 0 HB3 TRP A 59 -6.715 -1.232 -0.132 1.00 10.00 H new ATOM 0 HD1 TRP A 59 -7.632 -1.379 3.473 1.00 10.00 H new ATOM 0 HE1 TRP A 59 -6.300 0.361 4.835 1.00 10.00 H new ATOM 0 HE3 TRP A 59 -5.916 1.516 -0.378 1.00 10.00 H new ATOM 0 HZ2 TRP A 59 -4.862 2.817 4.298 1.00 10.00 H new ATOM 0 HZ3 TRP A 59 -4.531 3.515 0.072 1.00 10.00 H new ATOM 0 HH2 TRP A 59 -4.085 4.230 2.406 1.00 10.00 H new ATOM 906 N LYS A 60 -9.619 -0.665 -2.238 1.00 10.00 N ATOM 907 CA LYS A 60 -10.354 -1.294 -3.327 1.00 10.00 C ATOM 908 C LYS A 60 -10.035 -0.551 -4.627 1.00 10.00 C ATOM 909 O LYS A 60 -10.931 -0.056 -5.303 1.00 10.00 O ATOM 910 CB LYS A 60 -11.860 -1.286 -3.018 1.00 10.00 C ATOM 911 CG LYS A 60 -12.357 0.119 -2.640 1.00 10.00 C ATOM 912 CD LYS A 60 -13.881 0.262 -2.791 1.00 10.00 C ATOM 913 CE LYS A 60 -14.153 1.410 -3.773 1.00 10.00 C ATOM 914 NZ LYS A 60 -15.577 1.770 -3.906 1.00 10.00 N ATOM 0 H LYS A 60 -9.295 0.275 -2.466 1.00 10.00 H new ATOM 0 HA LYS A 60 -10.053 -2.336 -3.439 1.00 10.00 H new ATOM 0 HB2 LYS A 60 -12.411 -1.645 -3.887 1.00 10.00 H new ATOM 0 HB3 LYS A 60 -12.067 -1.977 -2.201 1.00 10.00 H new ATOM 0 HG2 LYS A 60 -12.075 0.336 -1.610 1.00 10.00 H new ATOM 0 HG3 LYS A 60 -11.861 0.858 -3.269 1.00 10.00 H new ATOM 0 HD2 LYS A 60 -14.316 -0.667 -3.160 1.00 10.00 H new ATOM 0 HD3 LYS A 60 -14.342 0.469 -1.825 1.00 10.00 H new ATOM 0 HE2 LYS A 60 -13.597 2.289 -3.449 1.00 10.00 H new ATOM 0 HE3 LYS A 60 -13.767 1.133 -4.754 1.00 10.00 H new ATOM 0 HZ1 LYS A 60 -15.711 2.346 -4.762 1.00 10.00 H new ATOM 0 HZ2 LYS A 60 -16.149 0.904 -3.978 1.00 10.00 H new ATOM 0 HZ3 LYS A 60 -15.877 2.314 -3.072 1.00 10.00 H new ATOM 928 N GLU A 61 -8.741 -0.412 -4.912 1.00 10.00 N ATOM 929 CA GLU A 61 -8.175 0.329 -6.031 1.00 10.00 C ATOM 930 C GLU A 61 -8.439 1.840 -6.003 1.00 10.00 C ATOM 931 O GLU A 61 -7.466 2.577 -6.045 1.00 10.00 O ATOM 932 CB GLU A 61 -8.352 -0.381 -7.384 1.00 10.00 C ATOM 933 CG GLU A 61 -9.576 -0.049 -8.246 1.00 10.00 C ATOM 934 CD GLU A 61 -9.827 -1.198 -9.223 1.00 10.00 C ATOM 935 OE1 GLU A 61 -9.182 -1.192 -10.290 1.00 10.00 O ATOM 936 OE2 GLU A 61 -10.577 -2.130 -8.857 1.00 10.00 O ATOM 0 H GLU A 61 -8.020 -0.840 -4.332 1.00 10.00 H new ATOM 0 HA GLU A 61 -7.095 0.306 -5.882 1.00 10.00 H new ATOM 0 HB2 GLU A 61 -7.464 -0.175 -7.982 1.00 10.00 H new ATOM 0 HB3 GLU A 61 -8.366 -1.454 -7.193 1.00 10.00 H new ATOM 0 HG2 GLU A 61 -10.451 0.105 -7.614 1.00 10.00 H new ATOM 0 HG3 GLU A 61 -9.410 0.880 -8.792 1.00 10.00 H new ATOM 943 N GLU A 62 -9.683 2.321 -5.873 1.00 10.00 N ATOM 944 CA GLU A 62 -10.015 3.754 -5.845 1.00 10.00 C ATOM 945 C GLU A 62 -9.075 4.569 -4.946 1.00 10.00 C ATOM 946 O GLU A 62 -8.292 5.384 -5.424 1.00 10.00 O ATOM 947 CB GLU A 62 -11.460 3.958 -5.350 1.00 10.00 C ATOM 948 CG GLU A 62 -12.545 3.717 -6.406 1.00 10.00 C ATOM 949 CD GLU A 62 -13.910 4.163 -5.887 1.00 10.00 C ATOM 950 OE1 GLU A 62 -14.016 5.335 -5.478 1.00 10.00 O ATOM 951 OE2 GLU A 62 -14.819 3.304 -5.830 1.00 10.00 O ATOM 0 H GLU A 62 -10.500 1.717 -5.783 1.00 10.00 H new ATOM 0 HA GLU A 62 -9.900 4.112 -6.868 1.00 10.00 H new ATOM 0 HB2 GLU A 62 -11.638 3.289 -4.508 1.00 10.00 H new ATOM 0 HB3 GLU A 62 -11.559 4.976 -4.974 1.00 10.00 H new ATOM 0 HG2 GLU A 62 -12.301 4.263 -7.317 1.00 10.00 H new ATOM 0 HG3 GLU A 62 -12.577 2.659 -6.667 1.00 10.00 H new ATOM 958 N THR A 63 -9.162 4.373 -3.628 1.00 10.00 N ATOM 959 CA THR A 63 -8.317 5.108 -2.694 1.00 10.00 C ATOM 960 C THR A 63 -6.844 4.921 -3.074 1.00 10.00 C ATOM 961 O THR A 63 -6.090 5.885 -3.160 1.00 10.00 O ATOM 962 CB THR A 63 -8.641 4.674 -1.249 1.00 10.00 C ATOM 963 OG1 THR A 63 -9.647 5.511 -0.722 1.00 10.00 O ATOM 964 CG2 THR A 63 -7.431 4.686 -0.317 1.00 10.00 C ATOM 0 H THR A 63 -9.806 3.715 -3.189 1.00 10.00 H new ATOM 0 HA THR A 63 -8.519 6.178 -2.751 1.00 10.00 H new ATOM 0 HB THR A 63 -8.980 3.640 -1.305 1.00 10.00 H new ATOM 0 HG1 THR A 63 -9.855 5.235 0.195 1.00 10.00 H new ATOM 0 HG21 THR A 63 -7.737 4.370 0.680 1.00 10.00 H new ATOM 0 HG22 THR A 63 -6.672 4.003 -0.698 1.00 10.00 H new ATOM 0 HG23 THR A 63 -7.020 5.694 -0.268 1.00 10.00 H new ATOM 972 N LEU A 64 -6.438 3.668 -3.294 1.00 10.00 N ATOM 973 CA LEU A 64 -5.060 3.292 -3.583 1.00 10.00 C ATOM 974 C LEU A 64 -4.512 4.086 -4.777 1.00 10.00 C ATOM 975 O LEU A 64 -3.395 4.596 -4.719 1.00 10.00 O ATOM 976 CB LEU A 64 -4.989 1.766 -3.790 1.00 10.00 C ATOM 977 CG LEU A 64 -4.167 1.020 -2.729 1.00 10.00 C ATOM 978 CD1 LEU A 64 -4.835 -0.315 -2.385 1.00 10.00 C ATOM 979 CD2 LEU A 64 -2.733 0.762 -3.211 1.00 10.00 C ATOM 0 H LEU A 64 -7.076 2.872 -3.275 1.00 10.00 H new ATOM 0 HA LEU A 64 -4.419 3.546 -2.739 1.00 10.00 H new ATOM 0 HB2 LEU A 64 -6.002 1.365 -3.795 1.00 10.00 H new ATOM 0 HB3 LEU A 64 -4.561 1.564 -4.772 1.00 10.00 H new ATOM 0 HG LEU A 64 -4.125 1.650 -1.841 1.00 10.00 H new ATOM 0 HD11 LEU A 64 -4.243 -0.835 -1.632 1.00 10.00 H new ATOM 0 HD12 LEU A 64 -5.836 -0.131 -1.996 1.00 10.00 H new ATOM 0 HD13 LEU A 64 -4.902 -0.930 -3.282 1.00 10.00 H new ATOM 0 HD21 LEU A 64 -2.178 0.232 -2.436 1.00 10.00 H new ATOM 0 HD22 LEU A 64 -2.757 0.157 -4.118 1.00 10.00 H new ATOM 0 HD23 LEU A 64 -2.243 1.713 -3.422 1.00 10.00 H new ATOM 991 N MET A 65 -5.303 4.213 -5.844 1.00 10.00 N ATOM 992 CA MET A 65 -4.989 4.984 -7.029 1.00 10.00 C ATOM 993 C MET A 65 -4.542 6.396 -6.663 1.00 10.00 C ATOM 994 O MET A 65 -3.499 6.834 -7.148 1.00 10.00 O ATOM 995 CB MET A 65 -6.196 5.008 -7.985 1.00 10.00 C ATOM 996 CG MET A 65 -6.150 3.887 -9.025 1.00 10.00 C ATOM 997 SD MET A 65 -7.076 4.272 -10.534 1.00 10.00 S ATOM 998 CE MET A 65 -6.645 2.847 -11.555 1.00 10.00 C ATOM 0 H MET A 65 -6.215 3.760 -5.900 1.00 10.00 H new ATOM 0 HA MET A 65 -4.157 4.503 -7.543 1.00 10.00 H new ATOM 0 HB2 MET A 65 -7.115 4.922 -7.405 1.00 10.00 H new ATOM 0 HB3 MET A 65 -6.230 5.970 -8.496 1.00 10.00 H new ATOM 0 HG2 MET A 65 -5.111 3.685 -9.286 1.00 10.00 H new ATOM 0 HG3 MET A 65 -6.551 2.975 -8.584 1.00 10.00 H new ATOM 0 HE1 MET A 65 -7.137 2.931 -12.524 1.00 10.00 H new ATOM 0 HE2 MET A 65 -5.565 2.815 -11.698 1.00 10.00 H new ATOM 0 HE3 MET A 65 -6.972 1.933 -11.060 1.00 10.00 H new ATOM 1008 N GLU A 66 -5.296 7.100 -5.815 1.00 10.00 N ATOM 1009 CA GLU A 66 -4.929 8.459 -5.459 1.00 10.00 C ATOM 1010 C GLU A 66 -3.790 8.405 -4.450 1.00 10.00 C ATOM 1011 O GLU A 66 -2.736 8.980 -4.690 1.00 10.00 O ATOM 1012 CB GLU A 66 -6.135 9.236 -4.929 1.00 10.00 C ATOM 1013 CG GLU A 66 -7.078 9.694 -6.045 1.00 10.00 C ATOM 1014 CD GLU A 66 -8.071 10.712 -5.500 1.00 10.00 C ATOM 1015 OE1 GLU A 66 -7.621 11.856 -5.262 1.00 10.00 O ATOM 1016 OE2 GLU A 66 -9.243 10.328 -5.308 1.00 10.00 O ATOM 0 H GLU A 66 -6.148 6.754 -5.373 1.00 10.00 H new ATOM 0 HA GLU A 66 -4.589 8.996 -6.345 1.00 10.00 H new ATOM 0 HB2 GLU A 66 -6.686 8.610 -4.227 1.00 10.00 H new ATOM 0 HB3 GLU A 66 -5.786 10.106 -4.373 1.00 10.00 H new ATOM 0 HG2 GLU A 66 -6.504 10.134 -6.860 1.00 10.00 H new ATOM 0 HG3 GLU A 66 -7.611 8.837 -6.457 1.00 10.00 H new ATOM 1023 N TYR A 67 -3.983 7.687 -3.344 1.00 10.00 N ATOM 1024 CA TYR A 67 -3.025 7.528 -2.257 1.00 10.00 C ATOM 1025 C TYR A 67 -1.601 7.320 -2.778 1.00 10.00 C ATOM 1026 O TYR A 67 -0.684 8.069 -2.439 1.00 10.00 O ATOM 1027 CB TYR A 67 -3.482 6.349 -1.389 1.00 10.00 C ATOM 1028 CG TYR A 67 -2.737 6.180 -0.075 1.00 10.00 C ATOM 1029 CD1 TYR A 67 -2.849 7.165 0.923 1.00 10.00 C ATOM 1030 CD2 TYR A 67 -2.008 5.004 0.192 1.00 10.00 C ATOM 1031 CE1 TYR A 67 -2.308 6.944 2.201 1.00 10.00 C ATOM 1032 CE2 TYR A 67 -1.478 4.777 1.477 1.00 10.00 C ATOM 1033 CZ TYR A 67 -1.676 5.726 2.495 1.00 10.00 C ATOM 1034 OH TYR A 67 -1.452 5.398 3.803 1.00 10.00 O ATOM 0 H TYR A 67 -4.851 7.179 -3.177 1.00 10.00 H new ATOM 0 HA TYR A 67 -2.997 8.440 -1.661 1.00 10.00 H new ATOM 0 HB2 TYR A 67 -4.544 6.469 -1.173 1.00 10.00 H new ATOM 0 HB3 TYR A 67 -3.377 5.431 -1.968 1.00 10.00 H new ATOM 0 HD1 TYR A 67 -3.353 8.095 0.706 1.00 10.00 H new ATOM 0 HD2 TYR A 67 -1.855 4.275 -0.590 1.00 10.00 H new ATOM 0 HE1 TYR A 67 -2.379 7.712 2.957 1.00 10.00 H new ATOM 0 HE2 TYR A 67 -0.920 3.875 1.680 1.00 10.00 H new ATOM 0 HH TYR A 67 -1.008 4.526 3.850 1.00 10.00 H new ATOM 1044 N LEU A 68 -1.411 6.315 -3.634 1.00 10.00 N ATOM 1045 CA LEU A 68 -0.104 5.999 -4.186 1.00 10.00 C ATOM 1046 C LEU A 68 0.418 7.085 -5.138 1.00 10.00 C ATOM 1047 O LEU A 68 1.620 7.134 -5.386 1.00 10.00 O ATOM 1048 CB LEU A 68 -0.159 4.658 -4.922 1.00 10.00 C ATOM 1049 CG LEU A 68 -0.436 3.405 -4.091 1.00 10.00 C ATOM 1050 CD1 LEU A 68 -0.287 2.200 -5.027 1.00 10.00 C ATOM 1051 CD2 LEU A 68 0.506 3.279 -2.892 1.00 10.00 C ATOM 0 H LEU A 68 -2.159 5.703 -3.960 1.00 10.00 H new ATOM 0 HA LEU A 68 0.589 5.943 -3.347 1.00 10.00 H new ATOM 0 HB2 LEU A 68 -0.929 4.728 -5.691 1.00 10.00 H new ATOM 0 HB3 LEU A 68 0.792 4.517 -5.435 1.00 10.00 H new ATOM 0 HG LEU A 68 -1.442 3.460 -3.674 1.00 10.00 H new ATOM 0 HD11 LEU A 68 -0.477 1.282 -4.471 1.00 10.00 H new ATOM 0 HD12 LEU A 68 -1.003 2.284 -5.845 1.00 10.00 H new ATOM 0 HD13 LEU A 68 0.725 2.176 -5.431 1.00 10.00 H new ATOM 0 HD21 LEU A 68 0.267 2.373 -2.335 1.00 10.00 H new ATOM 0 HD22 LEU A 68 1.537 3.228 -3.243 1.00 10.00 H new ATOM 0 HD23 LEU A 68 0.386 4.146 -2.242 1.00 10.00 H new ATOM 1063 N GLU A 69 -0.454 7.907 -5.734 1.00 10.00 N ATOM 1064 CA GLU A 69 -0.068 9.100 -6.492 1.00 10.00 C ATOM 1065 C GLU A 69 -0.109 10.349 -5.597 1.00 10.00 C ATOM 1066 O GLU A 69 -0.129 11.471 -6.097 1.00 10.00 O ATOM 1067 CB GLU A 69 -0.944 9.242 -7.762 1.00 10.00 C ATOM 1068 CG GLU A 69 -0.299 8.728 -9.070 1.00 10.00 C ATOM 1069 CD GLU A 69 0.904 9.544 -9.521 1.00 10.00 C ATOM 1070 OE1 GLU A 69 0.811 10.787 -9.479 1.00 10.00 O ATOM 1071 OE2 GLU A 69 1.891 8.881 -9.909 1.00 10.00 O ATOM 0 H GLU A 69 -1.463 7.758 -5.702 1.00 10.00 H new ATOM 0 HA GLU A 69 0.963 8.992 -6.829 1.00 10.00 H new ATOM 0 HB2 GLU A 69 -1.878 8.704 -7.601 1.00 10.00 H new ATOM 0 HB3 GLU A 69 -1.200 10.294 -7.891 1.00 10.00 H new ATOM 0 HG2 GLU A 69 0.008 7.691 -8.930 1.00 10.00 H new ATOM 0 HG3 GLU A 69 -1.049 8.735 -9.861 1.00 10.00 H new ATOM 1078 N ASN A 70 -0.112 10.195 -4.268 1.00 10.00 N ATOM 1079 CA ASN A 70 -0.207 11.344 -3.378 1.00 10.00 C ATOM 1080 C ASN A 70 0.155 10.958 -1.939 1.00 10.00 C ATOM 1081 O ASN A 70 -0.620 11.198 -1.009 1.00 10.00 O ATOM 1082 CB ASN A 70 -1.617 11.956 -3.527 1.00 10.00 C ATOM 1083 CG ASN A 70 -1.612 13.293 -4.264 1.00 10.00 C ATOM 1084 OD1 ASN A 70 -0.792 14.167 -3.992 1.00 10.00 O ATOM 1085 ND2 ASN A 70 -2.554 13.482 -5.185 1.00 10.00 N ATOM 0 H ASN A 70 -0.050 9.294 -3.795 1.00 10.00 H new ATOM 0 HA ASN A 70 0.519 12.109 -3.652 1.00 10.00 H new ATOM 0 HB2 ASN A 70 -2.257 11.255 -4.063 1.00 10.00 H new ATOM 0 HB3 ASN A 70 -2.053 12.094 -2.538 1.00 10.00 H new ATOM 0 HD21 ASN A 70 -2.608 14.370 -5.685 1.00 10.00 H new ATOM 0 HD22 ASN A 70 -3.222 12.739 -5.391 1.00 10.00 H new ATOM 1092 N PRO A 71 1.374 10.440 -1.696 1.00 10.00 N ATOM 1093 CA PRO A 71 1.779 9.982 -0.375 1.00 10.00 C ATOM 1094 C PRO A 71 2.182 11.129 0.562 1.00 10.00 C ATOM 1095 O PRO A 71 2.866 10.894 1.557 1.00 10.00 O ATOM 1096 CB PRO A 71 2.948 9.027 -0.644 1.00 10.00 C ATOM 1097 CG PRO A 71 3.627 9.682 -1.849 1.00 10.00 C ATOM 1098 CD PRO A 71 2.434 10.187 -2.665 1.00 10.00 C ATOM 0 HA PRO A 71 0.954 9.497 0.147 1.00 10.00 H new ATOM 0 HB2 PRO A 71 3.619 8.953 0.212 1.00 10.00 H new ATOM 0 HB3 PRO A 71 2.606 8.017 -0.868 1.00 10.00 H new ATOM 0 HG2 PRO A 71 4.288 10.495 -1.550 1.00 10.00 H new ATOM 0 HG3 PRO A 71 4.231 8.970 -2.411 1.00 10.00 H new ATOM 0 HD2 PRO A 71 2.690 11.094 -3.212 1.00 10.00 H new ATOM 0 HD3 PRO A 71 2.122 9.447 -3.402 1.00 10.00 H new ATOM 1106 N LYS A 72 1.751 12.359 0.264 1.00 10.00 N ATOM 1107 CA LYS A 72 1.891 13.512 1.134 1.00 10.00 C ATOM 1108 C LYS A 72 0.734 14.479 0.872 1.00 10.00 C ATOM 1109 O LYS A 72 0.936 15.661 0.602 1.00 10.00 O ATOM 1110 CB LYS A 72 3.292 14.139 1.004 1.00 10.00 C ATOM 1111 CG LYS A 72 3.859 14.315 -0.417 1.00 10.00 C ATOM 1112 CD LYS A 72 3.161 15.379 -1.270 1.00 10.00 C ATOM 1113 CE LYS A 72 4.024 15.687 -2.505 1.00 10.00 C ATOM 1114 NZ LYS A 72 3.351 16.599 -3.453 1.00 10.00 N ATOM 0 H LYS A 72 1.283 12.577 -0.616 1.00 10.00 H new ATOM 0 HA LYS A 72 1.821 13.213 2.180 1.00 10.00 H new ATOM 0 HB2 LYS A 72 3.269 15.119 1.481 1.00 10.00 H new ATOM 0 HB3 LYS A 72 3.990 13.524 1.572 1.00 10.00 H new ATOM 0 HG2 LYS A 72 4.916 14.570 -0.340 1.00 10.00 H new ATOM 0 HG3 LYS A 72 3.798 13.359 -0.936 1.00 10.00 H new ATOM 0 HD2 LYS A 72 2.177 15.026 -1.579 1.00 10.00 H new ATOM 0 HD3 LYS A 72 3.006 16.286 -0.685 1.00 10.00 H new ATOM 0 HE2 LYS A 72 4.966 16.132 -2.184 1.00 10.00 H new ATOM 0 HE3 LYS A 72 4.269 14.755 -3.014 1.00 10.00 H new ATOM 0 HZ1 LYS A 72 3.974 16.775 -4.267 1.00 10.00 H new ATOM 0 HZ2 LYS A 72 2.465 16.165 -3.782 1.00 10.00 H new ATOM 0 HZ3 LYS A 72 3.140 17.500 -2.978 1.00 10.00 H new ATOM 1128 N LYS A 73 -0.491 13.948 0.910 1.00 10.00 N ATOM 1129 CA LYS A 73 -1.702 14.699 0.599 1.00 10.00 C ATOM 1130 C LYS A 73 -2.860 14.217 1.472 1.00 10.00 C ATOM 1131 O LYS A 73 -3.540 15.030 2.089 1.00 10.00 O ATOM 1132 CB LYS A 73 -2.013 14.569 -0.902 1.00 10.00 C ATOM 1133 CG LYS A 73 -2.236 15.919 -1.595 1.00 10.00 C ATOM 1134 CD LYS A 73 -3.523 16.621 -1.133 1.00 10.00 C ATOM 1135 CE LYS A 73 -3.878 17.786 -2.073 1.00 10.00 C ATOM 1136 NZ LYS A 73 -4.489 17.323 -3.340 1.00 10.00 N ATOM 0 H LYS A 73 -0.668 12.975 1.160 1.00 10.00 H new ATOM 0 HA LYS A 73 -1.552 15.756 0.820 1.00 10.00 H new ATOM 0 HB2 LYS A 73 -1.191 14.048 -1.392 1.00 10.00 H new ATOM 0 HB3 LYS A 73 -2.902 13.952 -1.029 1.00 10.00 H new ATOM 0 HG2 LYS A 73 -1.383 16.568 -1.398 1.00 10.00 H new ATOM 0 HG3 LYS A 73 -2.278 15.766 -2.673 1.00 10.00 H new ATOM 0 HD2 LYS A 73 -4.344 15.905 -1.108 1.00 10.00 H new ATOM 0 HD3 LYS A 73 -3.394 16.994 -0.117 1.00 10.00 H new ATOM 0 HE2 LYS A 73 -4.567 18.461 -1.566 1.00 10.00 H new ATOM 0 HE3 LYS A 73 -2.977 18.358 -2.295 1.00 10.00 H new ATOM 0 HZ1 LYS A 73 -4.757 18.146 -3.917 1.00 10.00 H new ATOM 0 HZ2 LYS A 73 -3.804 16.741 -3.863 1.00 10.00 H new ATOM 0 HZ3 LYS A 73 -5.336 16.757 -3.130 1.00 10.00 H new ATOM 1150 N TYR A 74 -3.074 12.898 1.529 1.00 10.00 N ATOM 1151 CA TYR A 74 -4.116 12.298 2.357 1.00 10.00 C ATOM 1152 C TYR A 74 -3.975 12.710 3.824 1.00 10.00 C ATOM 1153 O TYR A 74 -4.947 13.132 4.445 1.00 10.00 O ATOM 1154 CB TYR A 74 -4.078 10.769 2.231 1.00 10.00 C ATOM 1155 CG TYR A 74 -4.957 10.220 1.127 1.00 10.00 C ATOM 1156 CD1 TYR A 74 -4.645 10.471 -0.221 1.00 10.00 C ATOM 1157 CD2 TYR A 74 -6.105 9.469 1.449 1.00 10.00 C ATOM 1158 CE1 TYR A 74 -5.469 9.961 -1.237 1.00 10.00 C ATOM 1159 CE2 TYR A 74 -6.914 8.941 0.430 1.00 10.00 C ATOM 1160 CZ TYR A 74 -6.598 9.190 -0.913 1.00 10.00 C ATOM 1161 OH TYR A 74 -7.386 8.683 -1.897 1.00 10.00 O ATOM 0 H TYR A 74 -2.527 12.219 1.000 1.00 10.00 H new ATOM 0 HA TYR A 74 -5.078 12.664 1.999 1.00 10.00 H new ATOM 0 HB2 TYR A 74 -3.050 10.455 2.053 1.00 10.00 H new ATOM 0 HB3 TYR A 74 -4.386 10.329 3.179 1.00 10.00 H new ATOM 0 HD1 TYR A 74 -3.773 11.055 -0.474 1.00 10.00 H new ATOM 0 HD2 TYR A 74 -6.364 9.299 2.484 1.00 10.00 H new ATOM 0 HE1 TYR A 74 -5.234 10.162 -2.272 1.00 10.00 H new ATOM 0 HE2 TYR A 74 -7.778 8.344 0.680 1.00 10.00 H new ATOM 0 HH TYR A 74 -8.122 8.174 -1.497 1.00 10.00 H new ATOM 1171 N ILE A 75 -2.775 12.544 4.385 1.00 10.00 N ATOM 1172 CA ILE A 75 -2.493 12.850 5.778 1.00 10.00 C ATOM 1173 C ILE A 75 -1.018 13.259 5.886 1.00 10.00 C ATOM 1174 O ILE A 75 -0.145 12.479 5.504 1.00 10.00 O ATOM 1175 CB ILE A 75 -2.888 11.659 6.680 1.00 10.00 C ATOM 1176 CG1 ILE A 75 -2.465 11.878 8.147 1.00 10.00 C ATOM 1177 CG2 ILE A 75 -2.375 10.300 6.179 1.00 10.00 C ATOM 1178 CD1 ILE A 75 -3.672 11.831 9.086 1.00 10.00 C ATOM 0 H ILE A 75 -1.967 12.189 3.874 1.00 10.00 H new ATOM 0 HA ILE A 75 -3.093 13.688 6.134 1.00 10.00 H new ATOM 0 HB ILE A 75 -3.976 11.623 6.628 1.00 10.00 H new ATOM 0 HG12 ILE A 75 -1.745 11.113 8.438 1.00 10.00 H new ATOM 0 HG13 ILE A 75 -1.964 12.841 8.243 1.00 10.00 H new ATOM 0 HG21 ILE A 75 -2.693 9.515 6.865 1.00 10.00 H new ATOM 0 HG22 ILE A 75 -2.781 10.101 5.187 1.00 10.00 H new ATOM 0 HG23 ILE A 75 -1.286 10.318 6.128 1.00 10.00 H new ATOM 0 HD11 ILE A 75 -3.341 11.989 10.112 1.00 10.00 H new ATOM 0 HD12 ILE A 75 -4.379 12.613 8.809 1.00 10.00 H new ATOM 0 HD13 ILE A 75 -4.157 10.858 9.007 1.00 10.00 H new ATOM 1190 N PRO A 76 -0.706 14.478 6.359 1.00 10.00 N ATOM 1191 CA PRO A 76 0.664 14.957 6.452 1.00 10.00 C ATOM 1192 C PRO A 76 1.371 14.323 7.657 1.00 10.00 C ATOM 1193 O PRO A 76 1.687 15.005 8.628 1.00 10.00 O ATOM 1194 CB PRO A 76 0.542 16.482 6.556 1.00 10.00 C ATOM 1195 CG PRO A 76 -0.795 16.681 7.268 1.00 10.00 C ATOM 1196 CD PRO A 76 -1.644 15.523 6.746 1.00 10.00 C ATOM 0 HA PRO A 76 1.275 14.683 5.592 1.00 10.00 H new ATOM 0 HB2 PRO A 76 1.367 16.914 7.122 1.00 10.00 H new ATOM 0 HB3 PRO A 76 0.548 16.954 5.573 1.00 10.00 H new ATOM 0 HG2 PRO A 76 -0.684 16.642 8.352 1.00 10.00 H new ATOM 0 HG3 PRO A 76 -1.240 17.647 7.027 1.00 10.00 H new ATOM 0 HD2 PRO A 76 -2.331 15.166 7.514 1.00 10.00 H new ATOM 0 HD3 PRO A 76 -2.251 15.836 5.896 1.00 10.00 H new ATOM 1204 N GLY A 77 1.636 13.015 7.594 1.00 10.00 N ATOM 1205 CA GLY A 77 2.341 12.325 8.665 1.00 10.00 C ATOM 1206 C GLY A 77 2.454 10.830 8.391 1.00 10.00 C ATOM 1207 O GLY A 77 2.003 10.022 9.193 1.00 10.00 O ATOM 0 H GLY A 77 1.371 12.418 6.811 1.00 10.00 H new ATOM 0 HA2 GLY A 77 3.338 12.751 8.778 1.00 10.00 H new ATOM 0 HA3 GLY A 77 1.817 12.484 9.608 1.00 10.00 H new ATOM 1211 N THR A 78 3.043 10.458 7.252 1.00 10.00 N ATOM 1212 CA THR A 78 3.178 9.060 6.847 1.00 10.00 C ATOM 1213 C THR A 78 4.647 8.698 6.645 1.00 10.00 C ATOM 1214 O THR A 78 5.154 7.789 7.296 1.00 10.00 O ATOM 1215 CB THR A 78 2.337 8.807 5.584 1.00 10.00 C ATOM 1216 OG1 THR A 78 1.074 9.412 5.733 1.00 10.00 O ATOM 1217 CG2 THR A 78 2.122 7.313 5.323 1.00 10.00 C ATOM 0 H THR A 78 3.440 11.120 6.585 1.00 10.00 H new ATOM 0 HA THR A 78 2.800 8.412 7.637 1.00 10.00 H new ATOM 0 HB THR A 78 2.883 9.232 4.742 1.00 10.00 H new ATOM 0 HG1 THR A 78 0.538 9.253 4.928 1.00 10.00 H new ATOM 0 HG21 THR A 78 1.523 7.184 4.421 1.00 10.00 H new ATOM 0 HG22 THR A 78 3.087 6.824 5.191 1.00 10.00 H new ATOM 0 HG23 THR A 78 1.602 6.867 6.171 1.00 10.00 H new ATOM 1225 N LYS A 79 5.317 9.374 5.705 1.00 10.00 N ATOM 1226 CA LYS A 79 6.672 9.047 5.273 1.00 10.00 C ATOM 1227 C LYS A 79 7.104 9.972 4.138 1.00 10.00 C ATOM 1228 O LYS A 79 8.206 10.504 4.195 1.00 10.00 O ATOM 1229 CB LYS A 79 6.821 7.562 4.879 1.00 10.00 C ATOM 1230 CG LYS A 79 5.704 7.026 3.966 1.00 10.00 C ATOM 1231 CD LYS A 79 5.335 5.572 4.287 1.00 10.00 C ATOM 1232 CE LYS A 79 6.397 4.561 3.846 1.00 10.00 C ATOM 1233 NZ LYS A 79 7.484 4.403 4.833 1.00 10.00 N ATOM 0 H LYS A 79 4.922 10.178 5.217 1.00 10.00 H new ATOM 0 HA LYS A 79 7.336 9.207 6.123 1.00 10.00 H new ATOM 0 HB2 LYS A 79 7.779 7.427 4.376 1.00 10.00 H new ATOM 0 HB3 LYS A 79 6.850 6.960 5.787 1.00 10.00 H new ATOM 0 HG2 LYS A 79 4.820 7.654 4.071 1.00 10.00 H new ATOM 0 HG3 LYS A 79 6.023 7.096 2.926 1.00 10.00 H new ATOM 0 HD2 LYS A 79 5.176 5.474 5.361 1.00 10.00 H new ATOM 0 HD3 LYS A 79 4.390 5.330 3.801 1.00 10.00 H new ATOM 0 HE2 LYS A 79 5.923 3.594 3.677 1.00 10.00 H new ATOM 0 HE3 LYS A 79 6.821 4.879 2.894 1.00 10.00 H new ATOM 0 HZ1 LYS A 79 7.997 3.518 4.646 1.00 10.00 H new ATOM 0 HZ2 LYS A 79 8.141 5.206 4.758 1.00 10.00 H new ATOM 0 HZ3 LYS A 79 7.081 4.374 5.791 1.00 10.00 H new ATOM 1247 N MET A 80 6.235 10.149 3.131 1.00 10.00 N ATOM 1248 CA MET A 80 6.510 10.916 1.921 1.00 10.00 C ATOM 1249 C MET A 80 7.658 10.260 1.146 1.00 10.00 C ATOM 1250 O MET A 80 8.826 10.477 1.454 1.00 10.00 O ATOM 1251 CB MET A 80 6.735 12.403 2.254 1.00 10.00 C ATOM 1252 CG MET A 80 6.927 13.278 1.008 1.00 10.00 C ATOM 1253 SD MET A 80 8.606 13.350 0.327 1.00 10.00 S ATOM 1254 CE MET A 80 8.342 14.442 -1.088 1.00 10.00 C ATOM 0 H MET A 80 5.297 9.748 3.143 1.00 10.00 H new ATOM 0 HA MET A 80 5.644 10.902 1.259 1.00 10.00 H new ATOM 0 HB2 MET A 80 5.883 12.774 2.823 1.00 10.00 H new ATOM 0 HB3 MET A 80 7.612 12.497 2.895 1.00 10.00 H new ATOM 0 HG2 MET A 80 6.257 12.915 0.229 1.00 10.00 H new ATOM 0 HG3 MET A 80 6.613 14.293 1.251 1.00 10.00 H new ATOM 0 HE1 MET A 80 9.284 14.588 -1.616 1.00 10.00 H new ATOM 0 HE2 MET A 80 7.614 13.993 -1.763 1.00 10.00 H new ATOM 0 HE3 MET A 80 7.968 15.405 -0.740 1.00 10.00 H new ATOM 1264 N ILE A 81 7.319 9.422 0.158 1.00 10.00 N ATOM 1265 CA ILE A 81 8.310 8.786 -0.702 1.00 10.00 C ATOM 1266 C ILE A 81 8.287 9.404 -2.103 1.00 10.00 C ATOM 1267 O ILE A 81 7.913 10.567 -2.254 1.00 10.00 O ATOM 1268 CB ILE A 81 8.191 7.244 -0.652 1.00 10.00 C ATOM 1269 CG1 ILE A 81 6.838 6.734 -1.186 1.00 10.00 C ATOM 1270 CG2 ILE A 81 8.458 6.748 0.775 1.00 10.00 C ATOM 1271 CD1 ILE A 81 6.812 5.207 -1.324 1.00 10.00 C ATOM 0 H ILE A 81 6.355 9.171 -0.062 1.00 10.00 H new ATOM 0 HA ILE A 81 9.311 8.989 -0.322 1.00 10.00 H new ATOM 0 HB ILE A 81 8.948 6.830 -1.318 1.00 10.00 H new ATOM 0 HG12 ILE A 81 6.041 7.051 -0.514 1.00 10.00 H new ATOM 0 HG13 ILE A 81 6.637 7.189 -2.156 1.00 10.00 H new ATOM 0 HG21 ILE A 81 8.373 5.662 0.805 1.00 10.00 H new ATOM 0 HG22 ILE A 81 9.462 7.042 1.080 1.00 10.00 H new ATOM 0 HG23 ILE A 81 7.729 7.188 1.455 1.00 10.00 H new ATOM 0 HD11 ILE A 81 5.840 4.892 -1.703 1.00 10.00 H new ATOM 0 HD12 ILE A 81 7.592 4.891 -2.017 1.00 10.00 H new ATOM 0 HD13 ILE A 81 6.986 4.751 -0.350 1.00 10.00 H new ATOM 1283 N PHE A 82 8.714 8.643 -3.118 1.00 10.00 N ATOM 1284 CA PHE A 82 8.707 9.062 -4.509 1.00 10.00 C ATOM 1285 C PHE A 82 7.337 9.631 -4.900 1.00 10.00 C ATOM 1286 O PHE A 82 6.319 9.261 -4.316 1.00 10.00 O ATOM 1287 CB PHE A 82 9.129 7.874 -5.394 1.00 10.00 C ATOM 1288 CG PHE A 82 8.320 6.596 -5.211 1.00 10.00 C ATOM 1289 CD1 PHE A 82 6.994 6.542 -5.673 1.00 10.00 C ATOM 1290 CD2 PHE A 82 8.890 5.450 -4.621 1.00 10.00 C ATOM 1291 CE1 PHE A 82 6.223 5.381 -5.511 1.00 10.00 C ATOM 1292 CE2 PHE A 82 8.132 4.269 -4.497 1.00 10.00 C ATOM 1293 CZ PHE A 82 6.792 4.241 -4.924 1.00 10.00 C ATOM 0 H PHE A 82 9.080 7.700 -2.984 1.00 10.00 H new ATOM 0 HA PHE A 82 9.426 9.868 -4.659 1.00 10.00 H new ATOM 0 HB2 PHE A 82 9.060 8.180 -6.438 1.00 10.00 H new ATOM 0 HB3 PHE A 82 10.177 7.651 -5.195 1.00 10.00 H new ATOM 0 HD1 PHE A 82 6.563 7.405 -6.159 1.00 10.00 H new ATOM 0 HD2 PHE A 82 9.909 5.477 -4.264 1.00 10.00 H new ATOM 0 HE1 PHE A 82 5.194 5.365 -5.838 1.00 10.00 H new ATOM 0 HE2 PHE A 82 8.581 3.383 -4.073 1.00 10.00 H new ATOM 0 HZ PHE A 82 6.203 3.344 -4.800 1.00 10.00 H new ATOM 1303 N ALA A 83 7.320 10.525 -5.896 1.00 10.00 N ATOM 1304 CA ALA A 83 6.118 11.224 -6.344 1.00 10.00 C ATOM 1305 C ALA A 83 4.951 10.254 -6.545 1.00 10.00 C ATOM 1306 O ALA A 83 3.891 10.405 -5.941 1.00 10.00 O ATOM 1307 CB ALA A 83 6.426 11.982 -7.640 1.00 10.00 C ATOM 0 H ALA A 83 8.156 10.784 -6.419 1.00 10.00 H new ATOM 0 HA ALA A 83 5.817 11.934 -5.573 1.00 10.00 H new ATOM 0 HB1 ALA A 83 5.531 12.505 -7.977 1.00 10.00 H new ATOM 0 HB2 ALA A 83 7.222 12.705 -7.459 1.00 10.00 H new ATOM 0 HB3 ALA A 83 6.745 11.276 -8.407 1.00 10.00 H new ATOM 1313 N GLY A 84 5.182 9.243 -7.381 1.00 10.00 N ATOM 1314 CA GLY A 84 4.263 8.153 -7.613 1.00 10.00 C ATOM 1315 C GLY A 84 4.976 7.117 -8.472 1.00 10.00 C ATOM 1316 O GLY A 84 6.192 7.197 -8.646 1.00 10.00 O ATOM 0 H GLY A 84 6.041 9.166 -7.926 1.00 10.00 H new ATOM 0 HA2 GLY A 84 3.946 7.713 -6.668 1.00 10.00 H new ATOM 0 HA3 GLY A 84 3.364 8.512 -8.114 1.00 10.00 H new ATOM 1320 N ILE A 85 4.240 6.120 -8.965 1.00 10.00 N ATOM 1321 CA ILE A 85 4.818 4.944 -9.604 1.00 10.00 C ATOM 1322 C ILE A 85 5.552 5.341 -10.879 1.00 10.00 C ATOM 1323 O ILE A 85 6.779 5.258 -10.950 1.00 10.00 O ATOM 1324 CB ILE A 85 3.704 3.892 -9.814 1.00 10.00 C ATOM 1325 CG1 ILE A 85 3.585 3.024 -8.573 1.00 10.00 C ATOM 1326 CG2 ILE A 85 3.799 2.989 -11.054 1.00 10.00 C ATOM 1327 CD1 ILE A 85 4.730 2.031 -8.419 1.00 10.00 C ATOM 0 H ILE A 85 3.221 6.109 -8.930 1.00 10.00 H new ATOM 0 HA ILE A 85 5.574 4.483 -8.968 1.00 10.00 H new ATOM 0 HB ILE A 85 2.816 4.496 -9.998 1.00 10.00 H new ATOM 0 HG12 ILE A 85 3.548 3.665 -7.692 1.00 10.00 H new ATOM 0 HG13 ILE A 85 2.642 2.478 -8.609 1.00 10.00 H new ATOM 0 HG21 ILE A 85 2.952 2.303 -11.070 1.00 10.00 H new ATOM 0 HG22 ILE A 85 3.785 3.604 -11.954 1.00 10.00 H new ATOM 0 HG23 ILE A 85 4.727 2.419 -11.019 1.00 10.00 H new ATOM 0 HD11 ILE A 85 4.583 1.443 -7.513 1.00 10.00 H new ATOM 0 HD12 ILE A 85 4.754 1.366 -9.283 1.00 10.00 H new ATOM 0 HD13 ILE A 85 5.674 2.572 -8.351 1.00 10.00 H new ATOM 1339 N LYS A 86 4.762 5.701 -11.888 1.00 10.00 N ATOM 1340 CA LYS A 86 5.139 6.235 -13.187 1.00 10.00 C ATOM 1341 C LYS A 86 4.015 7.132 -13.699 1.00 10.00 C ATOM 1342 O LYS A 86 4.245 8.272 -14.087 1.00 10.00 O ATOM 1343 CB LYS A 86 5.375 5.093 -14.188 1.00 10.00 C ATOM 1344 CG LYS A 86 6.445 4.151 -13.648 1.00 10.00 C ATOM 1345 CD LYS A 86 7.004 3.231 -14.740 1.00 10.00 C ATOM 1346 CE LYS A 86 8.538 3.194 -14.744 1.00 10.00 C ATOM 1347 NZ LYS A 86 9.057 2.036 -15.506 1.00 10.00 N ATOM 0 H LYS A 86 3.749 5.617 -11.805 1.00 10.00 H new ATOM 0 HA LYS A 86 6.061 6.807 -13.085 1.00 10.00 H new ATOM 0 HB2 LYS A 86 4.447 4.547 -14.357 1.00 10.00 H new ATOM 0 HB3 LYS A 86 5.686 5.499 -15.151 1.00 10.00 H new ATOM 0 HG2 LYS A 86 7.257 4.735 -13.215 1.00 10.00 H new ATOM 0 HG3 LYS A 86 6.024 3.546 -12.845 1.00 10.00 H new ATOM 0 HD2 LYS A 86 6.619 2.222 -14.593 1.00 10.00 H new ATOM 0 HD3 LYS A 86 6.649 3.569 -15.713 1.00 10.00 H new ATOM 0 HE2 LYS A 86 8.923 4.117 -15.178 1.00 10.00 H new ATOM 0 HE3 LYS A 86 8.903 3.148 -13.718 1.00 10.00 H new ATOM 0 HZ1 LYS A 86 10.097 2.045 -15.486 1.00 10.00 H new ATOM 0 HZ2 LYS A 86 8.710 1.154 -15.077 1.00 10.00 H new ATOM 0 HZ3 LYS A 86 8.729 2.094 -16.491 1.00 10.00 H new ATOM 1361 N LYS A 87 2.807 6.563 -13.737 1.00 10.00 N ATOM 1362 CA LYS A 87 1.593 7.134 -14.280 1.00 10.00 C ATOM 1363 C LYS A 87 0.463 6.158 -13.923 1.00 10.00 C ATOM 1364 O LYS A 87 0.539 5.488 -12.893 1.00 10.00 O ATOM 1365 CB LYS A 87 1.762 7.388 -15.784 1.00 10.00 C ATOM 1366 CG LYS A 87 2.177 6.132 -16.562 1.00 10.00 C ATOM 1367 CD LYS A 87 2.464 6.443 -18.037 1.00 10.00 C ATOM 1368 CE LYS A 87 1.246 7.058 -18.742 1.00 10.00 C ATOM 1369 NZ LYS A 87 1.461 7.200 -20.198 1.00 10.00 N ATOM 0 H LYS A 87 2.652 5.628 -13.361 1.00 10.00 H new ATOM 0 HA LYS A 87 1.353 8.110 -13.860 1.00 10.00 H new ATOM 0 HB2 LYS A 87 0.824 7.767 -16.190 1.00 10.00 H new ATOM 0 HB3 LYS A 87 2.511 8.165 -15.934 1.00 10.00 H new ATOM 0 HG2 LYS A 87 3.065 5.697 -16.103 1.00 10.00 H new ATOM 0 HG3 LYS A 87 1.386 5.385 -16.495 1.00 10.00 H new ATOM 0 HD2 LYS A 87 3.308 7.130 -18.105 1.00 10.00 H new ATOM 0 HD3 LYS A 87 2.756 5.527 -18.551 1.00 10.00 H new ATOM 0 HE2 LYS A 87 0.371 6.433 -18.564 1.00 10.00 H new ATOM 0 HE3 LYS A 87 1.033 8.036 -18.310 1.00 10.00 H new ATOM 0 HZ1 LYS A 87 0.615 7.619 -20.635 1.00 10.00 H new ATOM 0 HZ2 LYS A 87 2.281 7.817 -20.369 1.00 10.00 H new ATOM 0 HZ3 LYS A 87 1.639 6.264 -20.616 1.00 10.00 H new ATOM 1383 N LYS A 88 -0.539 6.018 -14.793 1.00 10.00 N ATOM 1384 CA LYS A 88 -1.743 5.241 -14.530 1.00 10.00 C ATOM 1385 C LYS A 88 -1.538 3.773 -14.904 1.00 10.00 C ATOM 1386 O LYS A 88 -1.937 2.885 -14.162 1.00 10.00 O ATOM 1387 CB LYS A 88 -2.964 5.879 -15.219 1.00 10.00 C ATOM 1388 CG LYS A 88 -2.985 5.803 -16.755 1.00 10.00 C ATOM 1389 CD LYS A 88 -4.166 6.630 -17.294 1.00 10.00 C ATOM 1390 CE LYS A 88 -4.221 6.668 -18.831 1.00 10.00 C ATOM 1391 NZ LYS A 88 -4.690 5.395 -19.421 1.00 10.00 N ATOM 0 H LYS A 88 -0.532 6.451 -15.716 1.00 10.00 H new ATOM 0 HA LYS A 88 -1.949 5.257 -13.460 1.00 10.00 H new ATOM 0 HB2 LYS A 88 -3.865 5.397 -14.838 1.00 10.00 H new ATOM 0 HB3 LYS A 88 -3.016 6.928 -14.926 1.00 10.00 H new ATOM 0 HG2 LYS A 88 -2.047 6.181 -17.161 1.00 10.00 H new ATOM 0 HG3 LYS A 88 -3.077 4.766 -17.077 1.00 10.00 H new ATOM 0 HD2 LYS A 88 -5.098 6.213 -16.913 1.00 10.00 H new ATOM 0 HD3 LYS A 88 -4.093 7.649 -16.913 1.00 10.00 H new ATOM 0 HE2 LYS A 88 -4.883 7.475 -19.146 1.00 10.00 H new ATOM 0 HE3 LYS A 88 -3.229 6.899 -19.220 1.00 10.00 H new ATOM 0 HZ1 LYS A 88 -4.707 5.478 -20.458 1.00 10.00 H new ATOM 0 HZ2 LYS A 88 -4.045 4.627 -19.146 1.00 10.00 H new ATOM 0 HZ3 LYS A 88 -5.648 5.184 -19.075 1.00 10.00 H new ATOM 1405 N THR A 89 -0.921 3.514 -16.060 1.00 10.00 N ATOM 1406 CA THR A 89 -0.801 2.185 -16.635 1.00 10.00 C ATOM 1407 C THR A 89 -0.156 1.221 -15.637 1.00 10.00 C ATOM 1408 O THR A 89 -0.795 0.292 -15.144 1.00 10.00 O ATOM 1409 CB THR A 89 0.005 2.321 -17.937 1.00 10.00 C ATOM 1410 OG1 THR A 89 -0.516 3.411 -18.683 1.00 10.00 O ATOM 1411 CG2 THR A 89 -0.053 1.036 -18.767 1.00 10.00 C ATOM 0 H THR A 89 -0.485 4.240 -16.628 1.00 10.00 H new ATOM 0 HA THR A 89 -1.779 1.762 -16.863 1.00 10.00 H new ATOM 0 HB THR A 89 1.051 2.501 -17.689 1.00 10.00 H new ATOM 0 HG1 THR A 89 -0.009 3.510 -19.516 1.00 10.00 H new ATOM 0 HG21 THR A 89 0.527 1.166 -19.681 1.00 10.00 H new ATOM 0 HG22 THR A 89 0.362 0.210 -18.189 1.00 10.00 H new ATOM 0 HG23 THR A 89 -1.089 0.815 -19.024 1.00 10.00 H new ATOM 1419 N GLU A 90 1.109 1.487 -15.309 1.00 10.00 N ATOM 1420 CA GLU A 90 1.850 0.707 -14.343 1.00 10.00 C ATOM 1421 C GLU A 90 1.112 0.599 -13.013 1.00 10.00 C ATOM 1422 O GLU A 90 1.052 -0.478 -12.436 1.00 10.00 O ATOM 1423 CB GLU A 90 3.205 1.375 -14.115 1.00 10.00 C ATOM 1424 CG GLU A 90 4.328 0.649 -14.876 1.00 10.00 C ATOM 1425 CD GLU A 90 4.609 1.204 -16.266 1.00 10.00 C ATOM 1426 OE1 GLU A 90 4.014 2.251 -16.607 1.00 10.00 O ATOM 1427 OE2 GLU A 90 5.462 0.586 -16.941 1.00 10.00 O ATOM 0 H GLU A 90 1.643 2.256 -15.714 1.00 10.00 H new ATOM 0 HA GLU A 90 1.972 -0.302 -14.737 1.00 10.00 H new ATOM 0 HB2 GLU A 90 3.158 2.415 -14.439 1.00 10.00 H new ATOM 0 HB3 GLU A 90 3.433 1.383 -13.049 1.00 10.00 H new ATOM 0 HG2 GLU A 90 5.243 0.702 -14.286 1.00 10.00 H new ATOM 0 HG3 GLU A 90 4.067 -0.405 -14.965 1.00 10.00 H new ATOM 1434 N ARG A 91 0.599 1.719 -12.497 1.00 10.00 N ATOM 1435 CA ARG A 91 -0.164 1.726 -11.256 1.00 10.00 C ATOM 1436 C ARG A 91 -1.274 0.670 -11.324 1.00 10.00 C ATOM 1437 O ARG A 91 -1.460 -0.105 -10.386 1.00 10.00 O ATOM 1438 CB ARG A 91 -0.738 3.134 -11.040 1.00 10.00 C ATOM 1439 CG ARG A 91 -1.800 3.235 -9.937 1.00 10.00 C ATOM 1440 CD ARG A 91 -1.228 2.944 -8.545 1.00 10.00 C ATOM 1441 NE ARG A 91 -0.042 3.762 -8.249 1.00 10.00 N ATOM 1442 CZ ARG A 91 -0.039 5.091 -8.054 1.00 10.00 C ATOM 1443 NH1 ARG A 91 -1.187 5.771 -8.084 1.00 10.00 N ATOM 1444 NH2 ARG A 91 1.111 5.714 -7.773 1.00 10.00 N ATOM 0 H ARG A 91 0.702 2.638 -12.928 1.00 10.00 H new ATOM 0 HA ARG A 91 0.478 1.476 -10.411 1.00 10.00 H new ATOM 0 HB2 ARG A 91 0.081 3.812 -10.799 1.00 10.00 H new ATOM 0 HB3 ARG A 91 -1.174 3.481 -11.977 1.00 10.00 H new ATOM 0 HG2 ARG A 91 -2.235 4.234 -9.946 1.00 10.00 H new ATOM 0 HG3 ARG A 91 -2.607 2.534 -10.149 1.00 10.00 H new ATOM 0 HD2 ARG A 91 -1.994 3.132 -7.793 1.00 10.00 H new ATOM 0 HD3 ARG A 91 -0.966 1.888 -8.475 1.00 10.00 H new ATOM 0 HE ARG A 91 0.854 3.279 -8.186 1.00 10.00 H new ATOM 0 HH11 ARG A 91 -2.065 5.281 -8.255 1.00 10.00 H new ATOM 0 HH12 ARG A 91 -1.186 6.780 -7.936 1.00 10.00 H new ATOM 0 HH21 ARG A 91 1.978 5.180 -7.708 1.00 10.00 H new ATOM 0 HH22 ARG A 91 1.121 6.723 -7.624 1.00 10.00 H new ATOM 1458 N GLU A 92 -2.013 0.661 -12.434 1.00 10.00 N ATOM 1459 CA GLU A 92 -3.142 -0.237 -12.634 1.00 10.00 C ATOM 1460 C GLU A 92 -2.639 -1.683 -12.600 1.00 10.00 C ATOM 1461 O GLU A 92 -3.109 -2.495 -11.807 1.00 10.00 O ATOM 1462 CB GLU A 92 -3.873 0.134 -13.938 1.00 10.00 C ATOM 1463 CG GLU A 92 -5.394 -0.057 -13.856 1.00 10.00 C ATOM 1464 CD GLU A 92 -5.808 -1.518 -13.922 1.00 10.00 C ATOM 1465 OE1 GLU A 92 -5.890 -2.163 -12.859 1.00 10.00 O ATOM 1466 OE2 GLU A 92 -6.003 -1.987 -15.065 1.00 10.00 O ATOM 0 H GLU A 92 -1.840 1.283 -13.224 1.00 10.00 H new ATOM 0 HA GLU A 92 -3.875 -0.136 -11.834 1.00 10.00 H new ATOM 0 HB2 GLU A 92 -3.657 1.174 -14.185 1.00 10.00 H new ATOM 0 HB3 GLU A 92 -3.481 -0.475 -14.752 1.00 10.00 H new ATOM 0 HG2 GLU A 92 -5.761 0.378 -12.926 1.00 10.00 H new ATOM 0 HG3 GLU A 92 -5.869 0.488 -14.672 1.00 10.00 H new ATOM 1473 N ASP A 93 -1.617 -1.992 -13.404 1.00 10.00 N ATOM 1474 CA ASP A 93 -0.972 -3.304 -13.384 1.00 10.00 C ATOM 1475 C ASP A 93 -0.573 -3.696 -11.956 1.00 10.00 C ATOM 1476 O ASP A 93 -0.866 -4.798 -11.493 1.00 10.00 O ATOM 1477 CB ASP A 93 0.225 -3.323 -14.350 1.00 10.00 C ATOM 1478 CG ASP A 93 -0.174 -3.351 -15.824 1.00 10.00 C ATOM 1479 OD1 ASP A 93 -1.364 -3.637 -16.101 1.00 10.00 O ATOM 1480 OD2 ASP A 93 0.729 -3.098 -16.652 1.00 10.00 O ATOM 0 H ASP A 93 -1.217 -1.343 -14.082 1.00 10.00 H new ATOM 0 HA ASP A 93 -1.684 -4.054 -13.729 1.00 10.00 H new ATOM 0 HB2 ASP A 93 0.842 -2.443 -14.167 1.00 10.00 H new ATOM 0 HB3 ASP A 93 0.841 -4.196 -14.133 1.00 10.00 H new ATOM 1485 N LEU A 94 0.054 -2.775 -11.226 1.00 10.00 N ATOM 1486 CA LEU A 94 0.420 -2.967 -9.830 1.00 10.00 C ATOM 1487 C LEU A 94 -0.795 -3.421 -9.015 1.00 10.00 C ATOM 1488 O LEU A 94 -0.754 -4.472 -8.374 1.00 10.00 O ATOM 1489 CB LEU A 94 1.037 -1.677 -9.273 1.00 10.00 C ATOM 1490 CG LEU A 94 2.191 -1.956 -8.310 1.00 10.00 C ATOM 1491 CD1 LEU A 94 2.805 -0.640 -7.866 1.00 10.00 C ATOM 1492 CD2 LEU A 94 1.779 -2.770 -7.103 1.00 10.00 C ATOM 0 H LEU A 94 0.324 -1.863 -11.596 1.00 10.00 H new ATOM 0 HA LEU A 94 1.169 -3.755 -9.756 1.00 10.00 H new ATOM 0 HB2 LEU A 94 1.396 -1.062 -10.099 1.00 10.00 H new ATOM 0 HB3 LEU A 94 0.268 -1.102 -8.758 1.00 10.00 H new ATOM 0 HG LEU A 94 2.923 -2.556 -8.851 1.00 10.00 H new ATOM 0 HD11 LEU A 94 3.628 -0.836 -7.179 1.00 10.00 H new ATOM 0 HD12 LEU A 94 3.179 -0.101 -8.736 1.00 10.00 H new ATOM 0 HD13 LEU A 94 2.049 -0.037 -7.363 1.00 10.00 H new ATOM 0 HD21 LEU A 94 2.645 -2.932 -6.461 1.00 10.00 H new ATOM 0 HD22 LEU A 94 1.010 -2.233 -6.547 1.00 10.00 H new ATOM 0 HD23 LEU A 94 1.385 -3.732 -7.430 1.00 10.00 H new ATOM 1504 N ILE A 95 -1.882 -2.642 -9.056 1.00 10.00 N ATOM 1505 CA ILE A 95 -3.145 -2.995 -8.428 1.00 10.00 C ATOM 1506 C ILE A 95 -3.603 -4.389 -8.858 1.00 10.00 C ATOM 1507 O ILE A 95 -4.079 -5.158 -8.027 1.00 10.00 O ATOM 1508 CB ILE A 95 -4.201 -1.901 -8.717 1.00 10.00 C ATOM 1509 CG1 ILE A 95 -4.237 -0.896 -7.563 1.00 10.00 C ATOM 1510 CG2 ILE A 95 -5.617 -2.464 -8.909 1.00 10.00 C ATOM 1511 CD1 ILE A 95 -3.105 0.128 -7.580 1.00 10.00 C ATOM 0 H ILE A 95 -1.902 -1.741 -9.533 1.00 10.00 H new ATOM 0 HA ILE A 95 -3.009 -3.041 -7.347 1.00 10.00 H new ATOM 0 HB ILE A 95 -3.900 -1.424 -9.650 1.00 10.00 H new ATOM 0 HG12 ILE A 95 -5.189 -0.366 -7.589 1.00 10.00 H new ATOM 0 HG13 ILE A 95 -4.201 -1.443 -6.621 1.00 10.00 H new ATOM 0 HG21 ILE A 95 -6.310 -1.646 -9.108 1.00 10.00 H new ATOM 0 HG22 ILE A 95 -5.622 -3.157 -9.750 1.00 10.00 H new ATOM 0 HG23 ILE A 95 -5.926 -2.989 -8.005 1.00 10.00 H new ATOM 0 HD11 ILE A 95 -3.209 0.799 -6.728 1.00 10.00 H new ATOM 0 HD12 ILE A 95 -2.147 -0.388 -7.521 1.00 10.00 H new ATOM 0 HD13 ILE A 95 -3.150 0.705 -8.504 1.00 10.00 H new ATOM 1523 N ALA A 96 -3.487 -4.711 -10.147 1.00 10.00 N ATOM 1524 CA ALA A 96 -3.887 -6.001 -10.685 1.00 10.00 C ATOM 1525 C ALA A 96 -3.215 -7.132 -9.917 1.00 10.00 C ATOM 1526 O ALA A 96 -3.895 -8.025 -9.413 1.00 10.00 O ATOM 1527 CB ALA A 96 -3.558 -6.088 -12.172 1.00 10.00 C ATOM 0 H ALA A 96 -3.109 -4.075 -10.849 1.00 10.00 H new ATOM 0 HA ALA A 96 -4.966 -6.103 -10.569 1.00 10.00 H new ATOM 0 HB1 ALA A 96 -3.865 -7.061 -12.556 1.00 10.00 H new ATOM 0 HB2 ALA A 96 -4.089 -5.302 -12.709 1.00 10.00 H new ATOM 0 HB3 ALA A 96 -2.485 -5.964 -12.315 1.00 10.00 H new ATOM 1533 N TYR A 97 -1.883 -7.074 -9.806 1.00 10.00 N ATOM 1534 CA TYR A 97 -1.158 -8.016 -8.967 1.00 10.00 C ATOM 1535 C TYR A 97 -1.704 -7.960 -7.553 1.00 10.00 C ATOM 1536 O TYR A 97 -2.210 -8.961 -7.055 1.00 10.00 O ATOM 1537 CB TYR A 97 0.341 -7.724 -8.964 1.00 10.00 C ATOM 1538 CG TYR A 97 1.135 -8.477 -7.916 1.00 10.00 C ATOM 1539 CD1 TYR A 97 1.330 -9.866 -8.041 1.00 10.00 C ATOM 1540 CD2 TYR A 97 1.678 -7.791 -6.815 1.00 10.00 C ATOM 1541 CE1 TYR A 97 2.123 -10.553 -7.105 1.00 10.00 C ATOM 1542 CE2 TYR A 97 2.438 -8.487 -5.862 1.00 10.00 C ATOM 1543 CZ TYR A 97 2.691 -9.858 -6.023 1.00 10.00 C ATOM 1544 OH TYR A 97 3.479 -10.505 -5.121 1.00 10.00 O ATOM 0 H TYR A 97 -1.296 -6.390 -10.284 1.00 10.00 H new ATOM 0 HA TYR A 97 -1.299 -9.017 -9.376 1.00 10.00 H new ATOM 0 HB2 TYR A 97 0.745 -7.964 -9.947 1.00 10.00 H new ATOM 0 HB3 TYR A 97 0.488 -6.655 -8.812 1.00 10.00 H new ATOM 0 HD1 TYR A 97 0.870 -10.404 -8.857 1.00 10.00 H new ATOM 0 HD2 TYR A 97 1.510 -6.730 -6.703 1.00 10.00 H new ATOM 0 HE1 TYR A 97 2.296 -11.613 -7.217 1.00 10.00 H new ATOM 0 HE2 TYR A 97 2.830 -7.965 -5.001 1.00 10.00 H new ATOM 0 HH TYR A 97 3.787 -9.870 -4.441 1.00 10.00 H new ATOM 1554 N LEU A 98 -1.574 -6.796 -6.916 1.00 10.00 N ATOM 1555 CA LEU A 98 -1.951 -6.590 -5.527 1.00 10.00 C ATOM 1556 C LEU A 98 -3.293 -7.240 -5.178 1.00 10.00 C ATOM 1557 O LEU A 98 -3.358 -7.953 -4.182 1.00 10.00 O ATOM 1558 CB LEU A 98 -1.888 -5.099 -5.155 1.00 10.00 C ATOM 1559 CG LEU A 98 -0.830 -4.807 -4.071 1.00 10.00 C ATOM 1560 CD1 LEU A 98 0.247 -3.876 -4.602 1.00 10.00 C ATOM 1561 CD2 LEU A 98 -1.443 -4.126 -2.854 1.00 10.00 C ATOM 0 H LEU A 98 -1.197 -5.960 -7.362 1.00 10.00 H new ATOM 0 HA LEU A 98 -1.216 -7.104 -4.908 1.00 10.00 H new ATOM 0 HB2 LEU A 98 -1.662 -4.514 -6.047 1.00 10.00 H new ATOM 0 HB3 LEU A 98 -2.866 -4.774 -4.801 1.00 10.00 H new ATOM 0 HG LEU A 98 -0.409 -5.772 -3.790 1.00 10.00 H new ATOM 0 HD11 LEU A 98 0.981 -3.685 -3.819 1.00 10.00 H new ATOM 0 HD12 LEU A 98 0.740 -4.340 -5.457 1.00 10.00 H new ATOM 0 HD13 LEU A 98 -0.206 -2.934 -4.912 1.00 10.00 H new ATOM 0 HD21 LEU A 98 -0.666 -3.937 -2.113 1.00 10.00 H new ATOM 0 HD22 LEU A 98 -1.895 -3.181 -3.155 1.00 10.00 H new ATOM 0 HD23 LEU A 98 -2.207 -4.772 -2.422 1.00 10.00 H new ATOM 1573 N LYS A 99 -4.338 -7.053 -5.993 1.00 10.00 N ATOM 1574 CA LYS A 99 -5.624 -7.719 -5.810 1.00 10.00 C ATOM 1575 C LYS A 99 -5.442 -9.219 -5.537 1.00 10.00 C ATOM 1576 O LYS A 99 -5.812 -9.703 -4.467 1.00 10.00 O ATOM 1577 CB LYS A 99 -6.549 -7.485 -7.024 1.00 10.00 C ATOM 1578 CG LYS A 99 -7.338 -6.173 -6.897 1.00 10.00 C ATOM 1579 CD LYS A 99 -8.446 -6.016 -7.958 1.00 10.00 C ATOM 1580 CE LYS A 99 -7.915 -5.477 -9.295 1.00 10.00 C ATOM 1581 NZ LYS A 99 -8.996 -5.144 -10.252 1.00 10.00 N ATOM 0 H LYS A 99 -4.310 -6.431 -6.801 1.00 10.00 H new ATOM 0 HA LYS A 99 -6.102 -7.279 -4.935 1.00 10.00 H new ATOM 0 HB2 LYS A 99 -5.953 -7.463 -7.936 1.00 10.00 H new ATOM 0 HB3 LYS A 99 -7.244 -8.319 -7.117 1.00 10.00 H new ATOM 0 HG2 LYS A 99 -7.786 -6.123 -5.905 1.00 10.00 H new ATOM 0 HG3 LYS A 99 -6.647 -5.334 -6.978 1.00 10.00 H new ATOM 0 HD2 LYS A 99 -8.924 -6.982 -8.124 1.00 10.00 H new ATOM 0 HD3 LYS A 99 -9.214 -5.342 -7.578 1.00 10.00 H new ATOM 0 HE2 LYS A 99 -7.314 -4.587 -9.109 1.00 10.00 H new ATOM 0 HE3 LYS A 99 -7.255 -6.219 -9.744 1.00 10.00 H new ATOM 0 HZ1 LYS A 99 -8.580 -4.786 -11.135 1.00 10.00 H new ATOM 0 HZ2 LYS A 99 -9.556 -5.997 -10.454 1.00 10.00 H new ATOM 0 HZ3 LYS A 99 -9.613 -4.415 -9.839 1.00 10.00 H new ATOM 1595 N LYS A 100 -4.872 -9.962 -6.490 1.00 10.00 N ATOM 1596 CA LYS A 100 -4.674 -11.390 -6.344 1.00 10.00 C ATOM 1597 C LYS A 100 -3.709 -11.660 -5.193 1.00 10.00 C ATOM 1598 O LYS A 100 -3.961 -12.544 -4.385 1.00 10.00 O ATOM 1599 CB LYS A 100 -4.185 -11.959 -7.678 1.00 10.00 C ATOM 1600 CG LYS A 100 -3.698 -13.411 -7.579 1.00 10.00 C ATOM 1601 CD LYS A 100 -4.590 -14.455 -8.266 1.00 10.00 C ATOM 1602 CE LYS A 100 -5.914 -14.676 -7.509 1.00 10.00 C ATOM 1603 NZ LYS A 100 -6.122 -16.086 -7.110 1.00 10.00 N ATOM 0 H LYS A 100 -4.539 -9.584 -7.377 1.00 10.00 H new ATOM 0 HA LYS A 100 -5.609 -11.891 -6.094 1.00 10.00 H new ATOM 0 HB2 LYS A 100 -4.994 -11.904 -8.407 1.00 10.00 H new ATOM 0 HB3 LYS A 100 -3.374 -11.336 -8.055 1.00 10.00 H new ATOM 0 HG2 LYS A 100 -2.699 -13.471 -8.011 1.00 10.00 H new ATOM 0 HG3 LYS A 100 -3.606 -13.674 -6.525 1.00 10.00 H new ATOM 0 HD2 LYS A 100 -4.805 -14.133 -9.285 1.00 10.00 H new ATOM 0 HD3 LYS A 100 -4.052 -15.400 -8.337 1.00 10.00 H new ATOM 0 HE2 LYS A 100 -5.927 -14.046 -6.619 1.00 10.00 H new ATOM 0 HE3 LYS A 100 -6.744 -14.356 -8.139 1.00 10.00 H new ATOM 0 HZ1 LYS A 100 -7.027 -16.174 -6.605 1.00 10.00 H new ATOM 0 HZ2 LYS A 100 -6.138 -16.688 -7.958 1.00 10.00 H new ATOM 0 HZ3 LYS A 100 -5.347 -16.388 -6.486 1.00 10.00 H new ATOM 1617 N ALA A 101 -2.591 -10.943 -5.150 1.00 10.00 N ATOM 1618 CA ALA A 101 -1.489 -11.231 -4.254 1.00 10.00 C ATOM 1619 C ALA A 101 -1.967 -11.161 -2.808 1.00 10.00 C ATOM 1620 O ALA A 101 -1.760 -12.078 -2.025 1.00 10.00 O ATOM 1621 CB ALA A 101 -0.362 -10.237 -4.528 1.00 10.00 C ATOM 0 H ALA A 101 -2.428 -10.133 -5.749 1.00 10.00 H new ATOM 0 HA ALA A 101 -1.111 -12.239 -4.424 1.00 10.00 H new ATOM 0 HB1 ALA A 101 0.475 -10.442 -3.860 1.00 10.00 H new ATOM 0 HB2 ALA A 101 -0.033 -10.336 -5.562 1.00 10.00 H new ATOM 0 HB3 ALA A 101 -0.722 -9.222 -4.357 1.00 10.00 H new ATOM 1627 N THR A 102 -2.639 -10.063 -2.470 1.00 10.00 N ATOM 1628 CA THR A 102 -3.120 -9.820 -1.125 1.00 10.00 C ATOM 1629 C THR A 102 -4.194 -10.833 -0.745 1.00 10.00 C ATOM 1630 O THR A 102 -4.227 -11.266 0.403 1.00 10.00 O ATOM 1631 CB THR A 102 -3.618 -8.377 -1.008 1.00 10.00 C ATOM 1632 OG1 THR A 102 -4.714 -8.138 -1.870 1.00 10.00 O ATOM 1633 CG2 THR A 102 -2.484 -7.398 -1.323 1.00 10.00 C ATOM 0 H THR A 102 -2.863 -9.317 -3.129 1.00 10.00 H new ATOM 0 HA THR A 102 -2.301 -9.950 -0.418 1.00 10.00 H new ATOM 0 HB THR A 102 -3.953 -8.223 0.018 1.00 10.00 H new ATOM 0 HG1 THR A 102 -4.385 -7.822 -2.737 1.00 10.00 H new ATOM 0 HG21 THR A 102 -2.851 -6.375 -1.236 1.00 10.00 H new ATOM 0 HG22 THR A 102 -1.666 -7.550 -0.619 1.00 10.00 H new ATOM 0 HG23 THR A 102 -2.126 -7.570 -2.338 1.00 10.00 H new ATOM 1641 N ASN A 103 -5.069 -11.184 -1.693 1.00 10.00 N ATOM 1642 CA ASN A 103 -6.082 -12.214 -1.502 1.00 10.00 C ATOM 1643 C ASN A 103 -5.413 -13.552 -1.175 1.00 10.00 C ATOM 1644 O ASN A 103 -5.720 -14.162 -0.155 1.00 10.00 O ATOM 1645 CB ASN A 103 -6.956 -12.286 -2.762 1.00 10.00 C ATOM 1646 CG ASN A 103 -8.220 -13.121 -2.579 1.00 10.00 C ATOM 1647 OD1 ASN A 103 -8.220 -14.168 -1.949 1.00 10.00 O ATOM 1648 ND2 ASN A 103 -9.333 -12.658 -3.142 1.00 10.00 N ATOM 0 H ASN A 103 -5.090 -10.756 -2.618 1.00 10.00 H new ATOM 0 HA ASN A 103 -6.726 -11.969 -0.657 1.00 10.00 H new ATOM 0 HB2 ASN A 103 -7.237 -11.275 -3.058 1.00 10.00 H new ATOM 0 HB3 ASN A 103 -6.368 -12.705 -3.579 1.00 10.00 H new ATOM 0 HD21 ASN A 103 -10.205 -13.179 -3.051 1.00 10.00 H new ATOM 0 HD22 ASN A 103 -9.314 -11.782 -3.664 1.00 10.00 H new ATOM 1655 N GLU A 104 -4.466 -13.941 -2.032 1.00 10.00 N ATOM 1656 CA GLU A 104 -3.712 -15.177 -1.994 1.00 10.00 C ATOM 1657 C GLU A 104 -4.674 -16.374 -2.085 1.00 10.00 C ATOM 1658 O GLU A 104 -5.356 -16.446 -3.140 1.00 10.00 O ATOM 1659 CB GLU A 104 -2.702 -15.137 -0.827 1.00 10.00 C ATOM 1660 CG GLU A 104 -1.240 -15.308 -1.281 1.00 10.00 C ATOM 1661 CD GLU A 104 -0.864 -16.762 -1.532 1.00 10.00 C ATOM 1662 OE1 GLU A 104 -0.636 -17.463 -0.523 1.00 10.00 O ATOM 1663 OE2 GLU A 104 -0.766 -17.130 -2.724 1.00 10.00 O ATOM 1664 OXT GLU A 104 -4.731 -17.185 -1.135 1.00 10.00 O ATOM 0 H GLU A 104 -4.194 -13.354 -2.821 1.00 10.00 H new ATOM 0 HA GLU A 104 -3.072 -15.309 -2.867 1.00 10.00 H new ATOM 0 HB2 GLU A 104 -2.803 -14.188 -0.300 1.00 10.00 H new ATOM 0 HB3 GLU A 104 -2.949 -15.925 -0.115 1.00 10.00 H new ATOM 0 HG2 GLU A 104 -1.078 -14.734 -2.193 1.00 10.00 H new ATOM 0 HG3 GLU A 104 -0.578 -14.893 -0.521 1.00 10.00 H new TER 1671 GLU A 104 HETATM 1672 N1 IMD A 105 3.529 5.105 0.697 1.00 10.00 N HETATM 1673 C2 IMD A 105 3.859 3.812 0.537 1.00 10.00 C HETATM 1674 N3 IMD A 105 3.184 3.025 1.392 1.00 10.00 N HETATM 1675 C4 IMD A 105 2.370 3.895 2.124 1.00 10.00 C HETATM 1676 C5 IMD A 105 2.575 5.176 1.687 1.00 10.00 C HETATM 0 HN1 IMD A 105 3.916 5.893 0.178 1.00 10.00 H new HETATM 0 H5 IMD A 105 2.080 6.076 2.052 1.00 10.00 H new HETATM 0 H4 IMD A 105 1.682 3.600 2.916 1.00 10.00 H new HETATM 0 H2 IMD A 105 4.582 3.448 -0.193 1.00 10.00 H new HETATM 1681 FE HEC A 110 3.252 1.047 1.536 1.00 10.00 FE HETATM 1682 CHA HEC A 110 0.881 1.362 3.959 1.00 10.00 C HETATM 1683 CHB HEC A 110 0.880 0.336 -0.781 1.00 10.00 C HETATM 1684 CHC HEC A 110 5.641 1.251 -0.864 1.00 10.00 C HETATM 1685 CHD HEC A 110 5.719 1.057 3.933 1.00 10.00 C HETATM 1686 NA HEC A 110 1.262 0.910 1.576 1.00 10.00 N HETATM 1687 C1A HEC A 110 0.483 1.105 2.671 1.00 10.00 C HETATM 1688 C2A HEC A 110 -0.899 0.987 2.273 1.00 10.00 C HETATM 1689 C3A HEC A 110 -0.908 0.713 0.923 1.00 10.00 C HETATM 1690 C4A HEC A 110 0.477 0.622 0.506 1.00 10.00 C HETATM 1691 CMA HEC A 110 -2.126 0.647 0.019 1.00 10.00 C HETATM 1692 CAA HEC A 110 -2.100 1.224 3.164 1.00 10.00 C HETATM 1693 CBA HEC A 110 -2.208 0.369 4.449 1.00 10.00 C HETATM 1694 CGA HEC A 110 -2.373 1.218 5.734 1.00 10.00 C HETATM 1695 O1A HEC A 110 -1.914 0.766 6.813 1.00 10.00 O HETATM 1696 O2A HEC A 110 -2.910 2.349 5.614 1.00 10.00 O HETATM 1697 NB HEC A 110 3.268 0.810 -0.424 1.00 10.00 N HETATM 1698 C1B HEC A 110 2.194 0.455 -1.181 1.00 10.00 C HETATM 1699 C2B HEC A 110 2.659 0.230 -2.533 1.00 10.00 C HETATM 1700 C3B HEC A 110 3.982 0.597 -2.572 1.00 10.00 C HETATM 1701 C4B HEC A 110 4.360 0.924 -1.220 1.00 10.00 C HETATM 1702 CMB HEC A 110 1.876 -0.348 -3.690 1.00 10.00 C HETATM 1703 CAB HEC A 110 4.913 0.539 -3.769 1.00 10.00 C HETATM 1704 CBB HEC A 110 4.330 1.154 -5.045 1.00 10.00 C HETATM 1705 NC HEC A 110 5.292 1.165 1.531 1.00 10.00 N HETATM 1706 C1C HEC A 110 6.059 1.258 0.427 1.00 10.00 C HETATM 1707 C2C HEC A 110 7.447 1.354 0.814 1.00 10.00 C HETATM 1708 C3C HEC A 110 7.474 1.183 2.179 1.00 10.00 C HETATM 1709 C4C HEC A 110 6.093 1.111 2.615 1.00 10.00 C HETATM 1710 CMC HEC A 110 8.638 1.511 -0.114 1.00 10.00 C HETATM 1711 CAC HEC A 110 8.687 1.008 3.078 1.00 10.00 C HETATM 1712 CBC HEC A 110 10.039 1.563 2.610 1.00 10.00 C HETATM 1713 ND HEC A 110 3.293 1.207 3.552 1.00 10.00 N HETATM 1714 C1D HEC A 110 4.409 1.169 4.329 1.00 10.00 C HETATM 1715 C2D HEC A 110 4.000 1.351 5.701 1.00 10.00 C HETATM 1716 C3D HEC A 110 2.633 1.400 5.707 1.00 10.00 C HETATM 1717 C4D HEC A 110 2.194 1.336 4.339 1.00 10.00 C HETATM 1718 CMD HEC A 110 4.868 1.587 6.914 1.00 10.00 C HETATM 1719 CAD HEC A 110 1.783 1.595 6.933 1.00 10.00 C HETATM 1720 CBD HEC A 110 1.571 3.085 7.218 1.00 10.00 C HETATM 1721 CGD HEC A 110 1.851 3.462 8.676 1.00 10.00 C HETATM 1722 O1D HEC A 110 1.557 2.643 9.574 1.00 10.00 O HETATM 1723 O2D HEC A 110 2.382 4.577 8.868 1.00 10.00 O HETATM 0 HMD3 HEC A 110 5.550 0.747 7.042 1.00 10.00 H new HETATM 0 HMD2 HEC A 110 5.443 2.503 6.777 1.00 10.00 H new HETATM 0 HMD1 HEC A 110 4.239 1.682 7.799 1.00 10.00 H new HETATM 0 HMC3 HEC A 110 8.684 0.661 -0.794 1.00 10.00 H new HETATM 0 HMC2 HEC A 110 8.532 2.431 -0.689 1.00 10.00 H new HETATM 0 HMC1 HEC A 110 9.554 1.555 0.474 1.00 10.00 H new HETATM 0 HMB3 HEC A 110 1.543 -1.355 -3.437 1.00 10.00 H new HETATM 0 HMB2 HEC A 110 1.009 0.281 -3.893 1.00 10.00 H new HETATM 0 HMB1 HEC A 110 2.511 -0.388 -4.575 1.00 10.00 H new HETATM 0 HMA3 HEC A 110 -2.805 -0.126 0.379 1.00 10.00 H new HETATM 0 HMA2 HEC A 110 -2.637 1.610 0.026 1.00 10.00 H new HETATM 0 HMA1 HEC A 110 -1.812 0.410 -0.998 1.00 10.00 H new HETATM 0 HBD2 HEC A 110 2.220 3.670 6.566 1.00 10.00 H new HETATM 0 HBD1 HEC A 110 0.544 3.354 6.970 1.00 10.00 H new HETATM 0 HBC3 HEC A 110 10.322 1.088 1.671 1.00 10.00 H new HETATM 0 HBC2 HEC A 110 9.959 2.640 2.462 1.00 10.00 H new HETATM 0 HBC1 HEC A 110 10.798 1.356 3.364 1.00 10.00 H new HETATM 0 HBB3 HEC A 110 3.419 0.623 -5.321 1.00 10.00 H new HETATM 0 HBB2 HEC A 110 4.099 2.205 -4.870 1.00 10.00 H new HETATM 0 HBB1 HEC A 110 5.057 1.073 -5.853 1.00 10.00 H new HETATM 0 HBA2 HEC A 110 -3.057 -0.308 4.357 1.00 10.00 H new HETATM 0 HBA1 HEC A 110 -1.316 -0.250 4.542 1.00 10.00 H new HETATM 0 HAD2 HEC A 110 0.819 1.106 6.794 1.00 10.00 H new HETATM 0 HAD1 HEC A 110 2.260 1.121 7.791 1.00 10.00 H new HETATM 0 HAA2 HEC A 110 -2.102 2.274 3.456 1.00 10.00 H new HETATM 0 HAA1 HEC A 110 -2.999 1.057 2.571 1.00 10.00 H new HETATM 0 HHD HEC A 110 6.488 0.920 4.693 1.00 10.00 H new HETATM 0 HHC HEC A 110 6.352 1.516 -1.647 1.00 10.00 H new HETATM 0 HHB HEC A 110 0.136 0.005 -1.506 1.00 10.00 H new HETATM 0 HHA HEC A 110 0.123 1.595 4.706 1.00 10.00 H new HETATM 0 H2D HEC A 110 3.304 4.452 9.174 1.00 10.00 H new HETATM 0 H2A HEC A 110 -3.798 2.335 6.027 1.00 10.00 H new