USER MOD reduce.3.24.130724 H: found=0, std=0, add=706, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 704 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 27 LYS NZ :NH3+ 165:sc= -0.493 (180deg=-1.07) USER MOD Set 1.2: A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 5 TYR OH : rot 180:sc= 0.442 USER MOD Set 2.3: A 54 LYS NZ :NH3+ -118:sc= 1.11 (180deg=0.114) USER MOD Single : A 1 MET CE :methyl 139:sc= -0.165 (180deg=-0.811) USER MOD Single : A 1 MET N :NH3+ 151:sc= -5.07! (180deg=-8.92!) USER MOD Single : A 7 TYR OH : rot 180:sc= -0.536 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= 0.055 X(o=0.055,f=0) USER MOD Single : A 12 HIS : no HD1:sc= -0.733 K(o=-0.73,f=0.0098) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -1.49 X(o=-1.5,f=-1.3) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 79:sc= 0.419 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -1.43 X(o=-1.4,f=-1) USER MOD Single : A 35 ASN : amide:sc= -0.544 K(o=-0.54,f=-3.8!) USER MOD Single : A 37 MET CE :methyl 156:sc= -0.0276 (180deg=-0.976) USER MOD Single : A 40 LYS NZ :NH3+ -107:sc= -0.0955 (180deg=-1) USER MOD Single : A 47 LYS NZ :NH3+ 149:sc= 0 (180deg=-0.28) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.398 USER MOD Single : A 60 GLN : amide:sc= -0.127 X(o=-0.13,f=-0.36) USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.0016 USER MOD Single : A 65 MET CE :methyl 145:sc= -0.553 (180deg=-1.27) USER MOD Single : A 67 GLN : amide:sc= -9.11! C(o=-9.1!,f=-7.5!) USER MOD Single : A 74 SER OG : rot -44:sc= 1.18 USER MOD Single : A 75 HIS : no HE2:sc= -2.73! C(o=-2.7!,f=-4.6!) USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.256 1.490 -5.461 1.00 0.00 N ATOM 2 CA MET A 1 -11.232 0.422 -5.340 1.00 0.00 C ATOM 3 C MET A 1 -10.071 0.857 -4.453 1.00 0.00 C ATOM 4 O MET A 1 -9.668 2.018 -4.471 1.00 0.00 O ATOM 5 CB MET A 1 -10.737 0.089 -6.746 1.00 0.00 C ATOM 6 CG MET A 1 -9.656 -0.965 -6.805 1.00 0.00 C ATOM 7 SD MET A 1 -9.091 -1.277 -8.488 1.00 0.00 S ATOM 8 CE MET A 1 -8.410 0.322 -8.919 1.00 0.00 C ATOM 0 H1 MET A 1 -12.738 1.406 -6.379 1.00 0.00 H new ATOM 0 H2 MET A 1 -12.952 1.392 -4.694 1.00 0.00 H new ATOM 0 H3 MET A 1 -11.796 2.421 -5.395 1.00 0.00 H new ATOM 0 HA MET A 1 -11.674 -0.457 -4.871 1.00 0.00 H new ATOM 0 HB2 MET A 1 -11.584 -0.246 -7.344 1.00 0.00 H new ATOM 0 HB3 MET A 1 -10.361 1.001 -7.209 1.00 0.00 H new ATOM 0 HG2 MET A 1 -8.811 -0.649 -6.194 1.00 0.00 H new ATOM 0 HG3 MET A 1 -10.033 -1.892 -6.373 1.00 0.00 H new ATOM 0 HE1 MET A 1 -7.480 0.185 -9.471 1.00 0.00 H new ATOM 0 HE2 MET A 1 -9.123 0.866 -9.539 1.00 0.00 H new ATOM 0 HE3 MET A 1 -8.212 0.890 -8.010 1.00 0.00 H new ATOM 20 N PHE A 2 -9.538 -0.082 -3.677 1.00 0.00 N ATOM 21 CA PHE A 2 -8.423 0.216 -2.790 1.00 0.00 C ATOM 22 C PHE A 2 -7.120 0.221 -3.575 1.00 0.00 C ATOM 23 O PHE A 2 -7.017 -0.413 -4.625 1.00 0.00 O ATOM 24 CB PHE A 2 -8.356 -0.794 -1.642 1.00 0.00 C ATOM 25 CG PHE A 2 -9.453 -0.627 -0.631 1.00 0.00 C ATOM 26 CD1 PHE A 2 -10.692 -1.214 -0.831 1.00 0.00 C ATOM 27 CD2 PHE A 2 -9.246 0.115 0.519 1.00 0.00 C ATOM 28 CE1 PHE A 2 -11.703 -1.063 0.098 1.00 0.00 C ATOM 29 CE2 PHE A 2 -10.253 0.270 1.453 1.00 0.00 C ATOM 30 CZ PHE A 2 -11.484 -0.320 1.241 1.00 0.00 C ATOM 0 H PHE A 2 -9.859 -1.050 -3.646 1.00 0.00 H new ATOM 0 HA PHE A 2 -8.577 1.205 -2.359 1.00 0.00 H new ATOM 0 HB2 PHE A 2 -8.402 -1.802 -2.053 1.00 0.00 H new ATOM 0 HB3 PHE A 2 -7.393 -0.698 -1.140 1.00 0.00 H new ATOM 0 HD1 PHE A 2 -10.869 -1.796 -1.723 1.00 0.00 H new ATOM 0 HD2 PHE A 2 -8.285 0.579 0.689 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -12.664 -1.526 -0.070 1.00 0.00 H new ATOM 0 HE2 PHE A 2 -10.078 0.851 2.346 1.00 0.00 H new ATOM 0 HZ PHE A 2 -12.274 -0.200 1.968 1.00 0.00 H new ATOM 40 N LYS A 3 -6.135 0.954 -3.076 1.00 0.00 N ATOM 41 CA LYS A 3 -4.850 1.057 -3.753 1.00 0.00 C ATOM 42 C LYS A 3 -3.693 0.873 -2.783 1.00 0.00 C ATOM 43 O LYS A 3 -3.648 1.512 -1.738 1.00 0.00 O ATOM 44 CB LYS A 3 -4.736 2.424 -4.424 1.00 0.00 C ATOM 45 CG LYS A 3 -5.404 2.494 -5.785 1.00 0.00 C ATOM 46 CD LYS A 3 -6.875 2.865 -5.661 1.00 0.00 C ATOM 47 CE LYS A 3 -7.196 4.145 -6.417 1.00 0.00 C ATOM 48 NZ LYS A 3 -6.825 5.359 -5.639 1.00 0.00 N ATOM 0 H LYS A 3 -6.200 1.485 -2.207 1.00 0.00 H new ATOM 0 HA LYS A 3 -4.797 0.265 -4.500 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -5.180 3.177 -3.772 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -3.682 2.678 -4.533 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -4.892 3.229 -6.406 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -5.311 1.532 -6.288 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -7.490 2.051 -6.045 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -7.132 2.989 -4.609 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -6.664 4.147 -7.368 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -8.261 4.173 -6.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -7.060 6.209 -6.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -7.351 5.371 -4.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -5.804 5.346 -5.441 1.00 0.00 H new ATOM 62 N VAL A 4 -2.751 0.007 -3.137 1.00 0.00 N ATOM 63 CA VAL A 4 -1.593 -0.229 -2.282 1.00 0.00 C ATOM 64 C VAL A 4 -0.300 0.242 -2.941 1.00 0.00 C ATOM 65 O VAL A 4 -0.068 0.010 -4.125 1.00 0.00 O ATOM 66 CB VAL A 4 -1.433 -1.719 -1.904 1.00 0.00 C ATOM 67 CG1 VAL A 4 -0.043 -1.989 -1.346 1.00 0.00 C ATOM 68 CG2 VAL A 4 -2.483 -2.132 -0.893 1.00 0.00 C ATOM 0 H VAL A 4 -2.764 -0.538 -3.999 1.00 0.00 H new ATOM 0 HA VAL A 4 -1.777 0.349 -1.376 1.00 0.00 H new ATOM 0 HB VAL A 4 -1.567 -2.309 -2.810 1.00 0.00 H new ATOM 0 HG11 VAL A 4 0.046 -3.044 -1.087 1.00 0.00 H new ATOM 0 HG12 VAL A 4 0.706 -1.735 -2.096 1.00 0.00 H new ATOM 0 HG13 VAL A 4 0.116 -1.382 -0.455 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -2.352 -3.184 -0.641 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -2.378 -1.528 0.008 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -3.476 -1.982 -1.317 1.00 0.00 H new ATOM 78 N TYR A 5 0.548 0.872 -2.138 1.00 0.00 N ATOM 79 CA TYR A 5 1.840 1.351 -2.601 1.00 0.00 C ATOM 80 C TYR A 5 2.940 0.603 -1.861 1.00 0.00 C ATOM 81 O TYR A 5 3.254 0.925 -0.717 1.00 0.00 O ATOM 82 CB TYR A 5 1.986 2.855 -2.350 1.00 0.00 C ATOM 83 CG TYR A 5 1.224 3.729 -3.322 1.00 0.00 C ATOM 84 CD1 TYR A 5 -0.123 3.510 -3.578 1.00 0.00 C ATOM 85 CD2 TYR A 5 1.853 4.786 -3.972 1.00 0.00 C ATOM 86 CE1 TYR A 5 -0.822 4.318 -4.456 1.00 0.00 C ATOM 87 CE2 TYR A 5 1.160 5.596 -4.853 1.00 0.00 C ATOM 88 CZ TYR A 5 -0.176 5.359 -5.090 1.00 0.00 C ATOM 89 OH TYR A 5 -0.870 6.164 -5.964 1.00 0.00 O ATOM 0 H TYR A 5 0.360 1.063 -1.154 1.00 0.00 H new ATOM 0 HA TYR A 5 1.918 1.173 -3.673 1.00 0.00 H new ATOM 0 HB2 TYR A 5 1.646 3.077 -1.338 1.00 0.00 H new ATOM 0 HB3 TYR A 5 3.043 3.118 -2.396 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -0.633 2.696 -3.084 1.00 0.00 H new ATOM 0 HD2 TYR A 5 2.899 4.977 -3.786 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -1.869 4.135 -4.645 1.00 0.00 H new ATOM 0 HE2 TYR A 5 1.664 6.410 -5.353 1.00 0.00 H new ATOM 0 HH TYR A 5 -0.270 6.850 -6.324 1.00 0.00 H new ATOM 99 N GLY A 6 3.510 -0.406 -2.501 1.00 0.00 N ATOM 100 CA GLY A 6 4.553 -1.179 -1.860 1.00 0.00 C ATOM 101 C GLY A 6 5.422 -1.912 -2.855 1.00 0.00 C ATOM 102 O GLY A 6 5.788 -1.363 -3.893 1.00 0.00 O ATOM 0 H GLY A 6 3.271 -0.703 -3.447 1.00 0.00 H new ATOM 0 HA2 GLY A 6 5.175 -0.516 -1.258 1.00 0.00 H new ATOM 0 HA3 GLY A 6 4.101 -1.899 -1.178 1.00 0.00 H new ATOM 106 N TYR A 7 5.760 -3.152 -2.536 1.00 0.00 N ATOM 107 CA TYR A 7 6.597 -3.958 -3.398 1.00 0.00 C ATOM 108 C TYR A 7 5.851 -5.199 -3.881 1.00 0.00 C ATOM 109 O TYR A 7 4.918 -5.668 -3.230 1.00 0.00 O ATOM 110 CB TYR A 7 7.857 -4.352 -2.640 1.00 0.00 C ATOM 111 CG TYR A 7 8.664 -3.162 -2.170 1.00 0.00 C ATOM 112 CD1 TYR A 7 9.280 -2.316 -3.083 1.00 0.00 C ATOM 113 CD2 TYR A 7 8.798 -2.879 -0.817 1.00 0.00 C ATOM 114 CE1 TYR A 7 10.009 -1.222 -2.660 1.00 0.00 C ATOM 115 CE2 TYR A 7 9.524 -1.785 -0.387 1.00 0.00 C ATOM 116 CZ TYR A 7 10.128 -0.961 -1.312 1.00 0.00 C ATOM 117 OH TYR A 7 10.852 0.130 -0.887 1.00 0.00 O ATOM 0 H TYR A 7 5.463 -3.620 -1.680 1.00 0.00 H new ATOM 0 HA TYR A 7 6.868 -3.375 -4.278 1.00 0.00 H new ATOM 0 HB2 TYR A 7 7.580 -4.959 -1.778 1.00 0.00 H new ATOM 0 HB3 TYR A 7 8.480 -4.975 -3.282 1.00 0.00 H new ATOM 0 HD1 TYR A 7 9.188 -2.517 -4.140 1.00 0.00 H new ATOM 0 HD2 TYR A 7 8.327 -3.524 -0.090 1.00 0.00 H new ATOM 0 HE1 TYR A 7 10.484 -0.574 -3.382 1.00 0.00 H new ATOM 0 HE2 TYR A 7 9.618 -1.577 0.669 1.00 0.00 H new ATOM 0 HH TYR A 7 10.836 0.172 0.092 1.00 0.00 H new ATOM 127 N ASP A 8 6.267 -5.723 -5.030 1.00 0.00 N ATOM 128 CA ASP A 8 5.634 -6.907 -5.599 1.00 0.00 C ATOM 129 C ASP A 8 6.117 -8.172 -4.893 1.00 0.00 C ATOM 130 O ASP A 8 5.412 -8.731 -4.054 1.00 0.00 O ATOM 131 CB ASP A 8 5.915 -6.998 -7.102 1.00 0.00 C ATOM 132 CG ASP A 8 5.287 -8.224 -7.739 1.00 0.00 C ATOM 133 OD1 ASP A 8 5.781 -9.344 -7.485 1.00 0.00 O ATOM 134 OD2 ASP A 8 4.303 -8.065 -8.491 1.00 0.00 O ATOM 0 H ASP A 8 7.037 -5.348 -5.583 1.00 0.00 H new ATOM 0 HA ASP A 8 4.558 -6.820 -5.451 1.00 0.00 H new ATOM 0 HB2 ASP A 8 5.535 -6.102 -7.594 1.00 0.00 H new ATOM 0 HB3 ASP A 8 6.992 -7.019 -7.266 1.00 0.00 H new ATOM 139 N SER A 9 7.323 -8.620 -5.241 1.00 0.00 N ATOM 140 CA SER A 9 7.901 -9.820 -4.642 1.00 0.00 C ATOM 141 C SER A 9 9.174 -10.235 -5.372 1.00 0.00 C ATOM 142 O SER A 9 10.136 -10.689 -4.754 1.00 0.00 O ATOM 143 CB SER A 9 6.893 -10.973 -4.667 1.00 0.00 C ATOM 144 OG SER A 9 7.534 -12.217 -4.446 1.00 0.00 O ATOM 0 H SER A 9 7.918 -8.169 -5.935 1.00 0.00 H new ATOM 0 HA SER A 9 8.152 -9.588 -3.607 1.00 0.00 H new ATOM 0 HB2 SER A 9 6.133 -10.812 -3.903 1.00 0.00 H new ATOM 0 HB3 SER A 9 6.380 -10.991 -5.629 1.00 0.00 H new ATOM 0 HG SER A 9 6.868 -12.936 -4.465 1.00 0.00 H new ATOM 150 N ASN A 10 9.171 -10.082 -6.693 1.00 0.00 N ATOM 151 CA ASN A 10 10.326 -10.445 -7.508 1.00 0.00 C ATOM 152 C ASN A 10 11.423 -9.387 -7.416 1.00 0.00 C ATOM 153 O ASN A 10 12.608 -9.699 -7.541 1.00 0.00 O ATOM 154 CB ASN A 10 9.909 -10.636 -8.968 1.00 0.00 C ATOM 155 CG ASN A 10 10.661 -11.770 -9.636 1.00 0.00 C ATOM 156 OD1 ASN A 10 10.087 -12.811 -9.955 1.00 0.00 O ATOM 157 ND2 ASN A 10 11.956 -11.570 -9.853 1.00 0.00 N ATOM 0 H ASN A 10 8.382 -9.709 -7.222 1.00 0.00 H new ATOM 0 HA ASN A 10 10.723 -11.384 -7.122 1.00 0.00 H new ATOM 0 HB2 ASN A 10 8.838 -10.835 -9.015 1.00 0.00 H new ATOM 0 HB3 ASN A 10 10.086 -9.712 -9.518 1.00 0.00 H new ATOM 0 HD21 ASN A 10 12.516 -12.295 -10.301 1.00 0.00 H new ATOM 0 HD22 ASN A 10 12.390 -10.691 -9.572 1.00 0.00 H new ATOM 164 N ILE A 11 11.025 -8.139 -7.194 1.00 0.00 N ATOM 165 CA ILE A 11 11.980 -7.039 -7.084 1.00 0.00 C ATOM 166 C ILE A 11 12.441 -6.871 -5.643 1.00 0.00 C ATOM 167 O ILE A 11 13.618 -6.630 -5.377 1.00 0.00 O ATOM 168 CB ILE A 11 11.371 -5.708 -7.573 1.00 0.00 C ATOM 169 CG1 ILE A 11 10.537 -5.930 -8.834 1.00 0.00 C ATOM 170 CG2 ILE A 11 12.465 -4.685 -7.830 1.00 0.00 C ATOM 171 CD1 ILE A 11 11.338 -6.443 -10.011 1.00 0.00 C ATOM 0 H ILE A 11 10.049 -7.863 -7.087 1.00 0.00 H new ATOM 0 HA ILE A 11 12.831 -7.290 -7.717 1.00 0.00 H new ATOM 0 HB ILE A 11 10.716 -5.322 -6.792 1.00 0.00 H new ATOM 0 HG12 ILE A 11 9.740 -6.639 -8.611 1.00 0.00 H new ATOM 0 HG13 ILE A 11 10.059 -4.991 -9.113 1.00 0.00 H new ATOM 0 HG21 ILE A 11 12.018 -3.753 -8.174 1.00 0.00 H new ATOM 0 HG22 ILE A 11 13.018 -4.504 -6.908 1.00 0.00 H new ATOM 0 HG23 ILE A 11 13.146 -5.064 -8.592 1.00 0.00 H new ATOM 0 HD11 ILE A 11 10.679 -6.576 -10.869 1.00 0.00 H new ATOM 0 HD12 ILE A 11 12.118 -5.724 -10.261 1.00 0.00 H new ATOM 0 HD13 ILE A 11 11.794 -7.398 -9.752 1.00 0.00 H new ATOM 183 N HIS A 12 11.502 -7.009 -4.714 1.00 0.00 N ATOM 184 CA HIS A 12 11.802 -6.885 -3.298 1.00 0.00 C ATOM 185 C HIS A 12 10.857 -7.749 -2.473 1.00 0.00 C ATOM 186 O HIS A 12 9.706 -7.964 -2.849 1.00 0.00 O ATOM 187 CB HIS A 12 11.703 -5.425 -2.855 1.00 0.00 C ATOM 188 CG HIS A 12 12.388 -5.145 -1.555 1.00 0.00 C ATOM 189 ND1 HIS A 12 13.656 -5.582 -1.245 1.00 0.00 N ATOM 190 CD2 HIS A 12 11.957 -4.449 -0.473 1.00 0.00 C ATOM 191 CE1 HIS A 12 13.951 -5.150 -0.011 1.00 0.00 C ATOM 192 NE2 HIS A 12 12.952 -4.456 0.501 1.00 0.00 N ATOM 0 H HIS A 12 10.523 -7.208 -4.920 1.00 0.00 H new ATOM 0 HA HIS A 12 12.823 -7.231 -3.134 1.00 0.00 H new ATOM 0 HB2 HIS A 12 12.135 -4.790 -3.628 1.00 0.00 H new ATOM 0 HB3 HIS A 12 10.652 -5.151 -2.768 1.00 0.00 H new ATOM 0 HD2 HIS A 12 10.995 -3.966 -0.382 1.00 0.00 H new ATOM 0 HE1 HIS A 12 14.884 -5.344 0.498 1.00 0.00 H new ATOM 0 HE2 HIS A 12 12.916 -4.016 1.420 1.00 0.00 H new ATOM 200 N LYS A 13 11.358 -8.244 -1.350 1.00 0.00 N ATOM 201 CA LYS A 13 10.566 -9.094 -0.470 1.00 0.00 C ATOM 202 C LYS A 13 9.603 -8.269 0.378 1.00 0.00 C ATOM 203 O LYS A 13 9.792 -7.065 0.558 1.00 0.00 O ATOM 204 CB LYS A 13 11.484 -9.922 0.434 1.00 0.00 C ATOM 205 CG LYS A 13 12.196 -9.097 1.497 1.00 0.00 C ATOM 206 CD LYS A 13 12.988 -9.977 2.450 1.00 0.00 C ATOM 207 CE LYS A 13 12.071 -10.785 3.353 1.00 0.00 C ATOM 208 NZ LYS A 13 12.742 -12.010 3.869 1.00 0.00 N ATOM 0 H LYS A 13 12.310 -8.072 -1.026 1.00 0.00 H new ATOM 0 HA LYS A 13 9.977 -9.766 -1.094 1.00 0.00 H new ATOM 0 HB2 LYS A 13 10.895 -10.699 0.922 1.00 0.00 H new ATOM 0 HB3 LYS A 13 12.228 -10.426 -0.182 1.00 0.00 H new ATOM 0 HG2 LYS A 13 12.866 -8.384 1.017 1.00 0.00 H new ATOM 0 HG3 LYS A 13 11.464 -8.517 2.059 1.00 0.00 H new ATOM 0 HD2 LYS A 13 13.625 -10.652 1.879 1.00 0.00 H new ATOM 0 HD3 LYS A 13 13.646 -9.356 3.059 1.00 0.00 H new ATOM 0 HE2 LYS A 13 11.749 -10.167 4.191 1.00 0.00 H new ATOM 0 HE3 LYS A 13 11.174 -11.067 2.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 12.085 -12.534 4.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 13.027 -12.612 3.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 13.584 -11.740 4.417 1.00 0.00 H new ATOM 222 N CYS A 14 8.572 -8.929 0.896 1.00 0.00 N ATOM 223 CA CYS A 14 7.575 -8.265 1.730 1.00 0.00 C ATOM 224 C CYS A 14 6.583 -9.278 2.296 1.00 0.00 C ATOM 225 O CYS A 14 5.696 -9.752 1.586 1.00 0.00 O ATOM 226 CB CYS A 14 6.832 -7.199 0.922 1.00 0.00 C ATOM 227 SG CYS A 14 5.680 -6.187 1.908 1.00 0.00 S ATOM 0 H CYS A 14 8.405 -9.925 0.753 1.00 0.00 H new ATOM 0 HA CYS A 14 8.091 -7.784 2.561 1.00 0.00 H new ATOM 0 HB2 CYS A 14 7.562 -6.542 0.449 1.00 0.00 H new ATOM 0 HB3 CYS A 14 6.276 -7.687 0.121 1.00 0.00 H new ATOM 232 N VAL A 15 6.738 -9.606 3.575 1.00 0.00 N ATOM 233 CA VAL A 15 5.854 -10.565 4.233 1.00 0.00 C ATOM 234 C VAL A 15 4.538 -9.912 4.642 1.00 0.00 C ATOM 235 O VAL A 15 3.475 -10.528 4.556 1.00 0.00 O ATOM 236 CB VAL A 15 6.513 -11.183 5.482 1.00 0.00 C ATOM 237 CG1 VAL A 15 7.621 -12.142 5.083 1.00 0.00 C ATOM 238 CG2 VAL A 15 7.046 -10.097 6.405 1.00 0.00 C ATOM 0 H VAL A 15 7.467 -9.223 4.177 1.00 0.00 H new ATOM 0 HA VAL A 15 5.658 -11.355 3.508 1.00 0.00 H new ATOM 0 HB VAL A 15 5.754 -11.746 6.025 1.00 0.00 H new ATOM 0 HG11 VAL A 15 8.074 -12.568 5.978 1.00 0.00 H new ATOM 0 HG12 VAL A 15 7.206 -12.943 4.470 1.00 0.00 H new ATOM 0 HG13 VAL A 15 8.379 -11.605 4.513 1.00 0.00 H new ATOM 0 HG21 VAL A 15 7.507 -10.557 7.280 1.00 0.00 H new ATOM 0 HG22 VAL A 15 7.789 -9.501 5.875 1.00 0.00 H new ATOM 0 HG23 VAL A 15 6.225 -9.454 6.723 1.00 0.00 H new ATOM 248 N TYR A 16 4.616 -8.664 5.091 1.00 0.00 N ATOM 249 CA TYR A 16 3.429 -7.932 5.514 1.00 0.00 C ATOM 250 C TYR A 16 2.489 -7.681 4.339 1.00 0.00 C ATOM 251 O TYR A 16 1.291 -7.469 4.525 1.00 0.00 O ATOM 252 CB TYR A 16 3.831 -6.604 6.159 1.00 0.00 C ATOM 253 CG TYR A 16 3.415 -6.490 7.606 1.00 0.00 C ATOM 254 CD1 TYR A 16 3.816 -7.437 8.539 1.00 0.00 C ATOM 255 CD2 TYR A 16 2.618 -5.438 8.040 1.00 0.00 C ATOM 256 CE1 TYR A 16 3.436 -7.340 9.864 1.00 0.00 C ATOM 257 CE2 TYR A 16 2.234 -5.333 9.363 1.00 0.00 C ATOM 258 CZ TYR A 16 2.646 -6.286 10.270 1.00 0.00 C ATOM 259 OH TYR A 16 2.265 -6.184 11.588 1.00 0.00 O ATOM 0 H TYR A 16 5.487 -8.139 5.171 1.00 0.00 H new ATOM 0 HA TYR A 16 2.900 -8.540 6.247 1.00 0.00 H new ATOM 0 HB2 TYR A 16 4.913 -6.487 6.089 1.00 0.00 H new ATOM 0 HB3 TYR A 16 3.385 -5.785 5.595 1.00 0.00 H new ATOM 0 HD1 TYR A 16 4.436 -8.264 8.224 1.00 0.00 H new ATOM 0 HD2 TYR A 16 2.293 -4.690 7.332 1.00 0.00 H new ATOM 0 HE1 TYR A 16 3.756 -8.085 10.577 1.00 0.00 H new ATOM 0 HE2 TYR A 16 1.615 -4.509 9.685 1.00 0.00 H new ATOM 0 HH TYR A 16 1.712 -5.384 11.708 1.00 0.00 H new ATOM 269 N CYS A 17 3.038 -7.704 3.129 1.00 0.00 N ATOM 270 CA CYS A 17 2.244 -7.479 1.927 1.00 0.00 C ATOM 271 C CYS A 17 1.234 -8.603 1.726 1.00 0.00 C ATOM 272 O CYS A 17 0.028 -8.365 1.659 1.00 0.00 O ATOM 273 CB CYS A 17 3.153 -7.367 0.701 1.00 0.00 C ATOM 274 SG CYS A 17 4.135 -5.832 0.638 1.00 0.00 S ATOM 0 H CYS A 17 4.028 -7.876 2.955 1.00 0.00 H new ATOM 0 HA CYS A 17 1.700 -6.543 2.051 1.00 0.00 H new ATOM 0 HB2 CYS A 17 3.831 -8.220 0.686 1.00 0.00 H new ATOM 0 HB3 CYS A 17 2.541 -7.431 -0.199 1.00 0.00 H new ATOM 279 N ASP A 18 1.734 -9.831 1.635 1.00 0.00 N ATOM 280 CA ASP A 18 0.878 -10.998 1.439 1.00 0.00 C ATOM 281 C ASP A 18 -0.224 -11.062 2.495 1.00 0.00 C ATOM 282 O ASP A 18 -1.286 -11.640 2.262 1.00 0.00 O ATOM 283 CB ASP A 18 1.712 -12.279 1.480 1.00 0.00 C ATOM 284 CG ASP A 18 1.066 -13.411 0.706 1.00 0.00 C ATOM 285 OD1 ASP A 18 0.219 -14.120 1.289 1.00 0.00 O ATOM 286 OD2 ASP A 18 1.404 -13.586 -0.483 1.00 0.00 O ATOM 0 H ASP A 18 2.730 -10.045 1.694 1.00 0.00 H new ATOM 0 HA ASP A 18 0.407 -10.905 0.460 1.00 0.00 H new ATOM 0 HB2 ASP A 18 2.701 -12.079 1.069 1.00 0.00 H new ATOM 0 HB3 ASP A 18 1.853 -12.585 2.517 1.00 0.00 H new ATOM 291 N ASN A 19 0.034 -10.467 3.656 1.00 0.00 N ATOM 292 CA ASN A 19 -0.939 -10.462 4.742 1.00 0.00 C ATOM 293 C ASN A 19 -2.123 -9.564 4.398 1.00 0.00 C ATOM 294 O ASN A 19 -3.254 -10.034 4.275 1.00 0.00 O ATOM 295 CB ASN A 19 -0.280 -9.996 6.042 1.00 0.00 C ATOM 296 CG ASN A 19 0.885 -10.881 6.440 1.00 0.00 C ATOM 297 OD1 ASN A 19 0.959 -12.045 6.042 1.00 0.00 O ATOM 298 ND2 ASN A 19 1.804 -10.337 7.229 1.00 0.00 N ATOM 0 H ASN A 19 0.907 -9.983 3.868 1.00 0.00 H new ATOM 0 HA ASN A 19 -1.307 -11.479 4.880 1.00 0.00 H new ATOM 0 HB2 ASN A 19 0.069 -8.970 5.924 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -1.021 -9.991 6.842 1.00 0.00 H new ATOM 0 HD21 ASN A 19 2.609 -10.887 7.528 1.00 0.00 H new ATOM 0 HD22 ASN A 19 1.705 -9.369 7.536 1.00 0.00 H new ATOM 305 N ALA A 20 -1.857 -8.272 4.237 1.00 0.00 N ATOM 306 CA ALA A 20 -2.902 -7.314 3.897 1.00 0.00 C ATOM 307 C ALA A 20 -3.602 -7.713 2.601 1.00 0.00 C ATOM 308 O ALA A 20 -4.770 -7.391 2.390 1.00 0.00 O ATOM 309 CB ALA A 20 -2.317 -5.916 3.777 1.00 0.00 C ATOM 0 H ALA A 20 -0.927 -7.865 4.336 1.00 0.00 H new ATOM 0 HA ALA A 20 -3.642 -7.315 4.697 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -3.108 -5.211 3.523 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -1.865 -5.628 4.726 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -1.557 -5.905 2.996 1.00 0.00 H new ATOM 315 N LYS A 21 -2.881 -8.429 1.740 1.00 0.00 N ATOM 316 CA LYS A 21 -3.433 -8.879 0.468 1.00 0.00 C ATOM 317 C LYS A 21 -4.653 -9.762 0.699 1.00 0.00 C ATOM 318 O LYS A 21 -5.744 -9.477 0.204 1.00 0.00 O ATOM 319 CB LYS A 21 -2.375 -9.649 -0.324 1.00 0.00 C ATOM 320 CG LYS A 21 -2.663 -9.724 -1.813 1.00 0.00 C ATOM 321 CD LYS A 21 -1.625 -10.567 -2.537 1.00 0.00 C ATOM 322 CE LYS A 21 -2.123 -11.009 -3.904 1.00 0.00 C ATOM 323 NZ LYS A 21 -2.836 -12.315 -3.840 1.00 0.00 N ATOM 0 H LYS A 21 -1.914 -8.709 1.902 1.00 0.00 H new ATOM 0 HA LYS A 21 -3.738 -8.003 -0.105 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -1.405 -9.175 -0.174 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -2.301 -10.661 0.074 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -3.654 -10.148 -1.972 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -2.675 -8.719 -2.234 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -0.705 -9.994 -2.651 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -1.382 -11.443 -1.936 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -2.792 -10.250 -4.310 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -1.279 -11.089 -4.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -3.160 -12.581 -4.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -2.191 -13.045 -3.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -3.656 -12.232 -3.206 1.00 0.00 H new ATOM 337 N ARG A 22 -4.461 -10.829 1.468 1.00 0.00 N ATOM 338 CA ARG A 22 -5.546 -11.752 1.780 1.00 0.00 C ATOM 339 C ARG A 22 -6.659 -11.033 2.537 1.00 0.00 C ATOM 340 O ARG A 22 -7.819 -11.440 2.493 1.00 0.00 O ATOM 341 CB ARG A 22 -5.022 -12.925 2.613 1.00 0.00 C ATOM 342 CG ARG A 22 -5.819 -14.207 2.430 1.00 0.00 C ATOM 343 CD ARG A 22 -4.978 -15.434 2.746 1.00 0.00 C ATOM 344 NE ARG A 22 -5.803 -16.607 3.019 1.00 0.00 N ATOM 345 CZ ARG A 22 -6.478 -17.272 2.085 1.00 0.00 C ATOM 346 NH1 ARG A 22 -6.428 -16.884 0.817 1.00 0.00 N ATOM 347 NH2 ARG A 22 -7.204 -18.331 2.419 1.00 0.00 N ATOM 0 H ARG A 22 -3.564 -11.076 1.886 1.00 0.00 H new ATOM 0 HA ARG A 22 -5.951 -12.135 0.843 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -3.982 -13.113 2.346 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -5.036 -12.646 3.667 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -6.695 -14.188 3.078 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -6.183 -14.268 1.404 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -4.315 -15.645 1.907 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -4.345 -15.227 3.609 1.00 0.00 H new ATOM 0 HE ARG A 22 -5.866 -16.936 3.982 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -5.870 -16.072 0.554 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -6.948 -17.398 0.106 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -7.245 -18.635 3.392 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -7.722 -18.841 1.703 1.00 0.00 H new ATOM 361 N LEU A 23 -6.291 -9.957 3.225 1.00 0.00 N ATOM 362 CA LEU A 23 -7.245 -9.164 3.990 1.00 0.00 C ATOM 363 C LEU A 23 -8.335 -8.616 3.077 1.00 0.00 C ATOM 364 O LEU A 23 -9.524 -8.831 3.312 1.00 0.00 O ATOM 365 CB LEU A 23 -6.515 -8.011 4.684 1.00 0.00 C ATOM 366 CG LEU A 23 -7.236 -7.385 5.881 1.00 0.00 C ATOM 367 CD1 LEU A 23 -6.522 -6.113 6.318 1.00 0.00 C ATOM 368 CD2 LEU A 23 -8.689 -7.089 5.545 1.00 0.00 C ATOM 0 H LEU A 23 -5.332 -9.613 3.268 1.00 0.00 H new ATOM 0 HA LEU A 23 -7.711 -9.801 4.742 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.542 -8.372 5.019 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -6.329 -7.229 3.948 1.00 0.00 H new ATOM 0 HG LEU A 23 -7.218 -8.099 6.704 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -7.044 -5.677 7.170 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -5.497 -6.351 6.603 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -6.513 -5.399 5.494 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -9.180 -6.645 6.411 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -8.734 -6.394 4.706 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -9.196 -8.016 5.276 1.00 0.00 H new ATOM 380 N LEU A 24 -7.919 -7.904 2.036 1.00 0.00 N ATOM 381 CA LEU A 24 -8.857 -7.320 1.086 1.00 0.00 C ATOM 382 C LEU A 24 -9.638 -8.408 0.358 1.00 0.00 C ATOM 383 O LEU A 24 -10.851 -8.298 0.182 1.00 0.00 O ATOM 384 CB LEU A 24 -8.113 -6.436 0.082 1.00 0.00 C ATOM 385 CG LEU A 24 -7.173 -5.398 0.704 1.00 0.00 C ATOM 386 CD1 LEU A 24 -6.770 -4.357 -0.327 1.00 0.00 C ATOM 387 CD2 LEU A 24 -7.828 -4.728 1.906 1.00 0.00 C ATOM 0 H LEU A 24 -6.938 -7.717 1.829 1.00 0.00 H new ATOM 0 HA LEU A 24 -9.566 -6.704 1.639 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -7.533 -7.076 -0.583 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -8.846 -5.916 -0.535 1.00 0.00 H new ATOM 0 HG LEU A 24 -6.275 -5.914 1.045 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -6.103 -3.628 0.133 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -6.258 -4.845 -1.156 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -7.660 -3.849 -0.699 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -7.143 -3.995 2.332 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -8.744 -4.228 1.590 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -8.066 -5.481 2.657 1.00 0.00 H new ATOM 399 N THR A 25 -8.941 -9.463 -0.053 1.00 0.00 N ATOM 400 CA THR A 25 -9.583 -10.574 -0.746 1.00 0.00 C ATOM 401 C THR A 25 -10.671 -11.178 0.134 1.00 0.00 C ATOM 402 O THR A 25 -11.761 -11.506 -0.335 1.00 0.00 O ATOM 403 CB THR A 25 -8.552 -11.643 -1.115 1.00 0.00 C ATOM 404 OG1 THR A 25 -7.398 -11.051 -1.684 1.00 0.00 O ATOM 405 CG2 THR A 25 -9.078 -12.665 -2.099 1.00 0.00 C ATOM 0 H THR A 25 -7.936 -9.572 0.081 1.00 0.00 H new ATOM 0 HA THR A 25 -10.035 -10.197 -1.663 1.00 0.00 H new ATOM 0 HB THR A 25 -8.314 -12.151 -0.181 1.00 0.00 H new ATOM 0 HG1 THR A 25 -6.832 -10.688 -0.972 1.00 0.00 H new ATOM 0 HG21 THR A 25 -8.298 -13.394 -2.318 1.00 0.00 H new ATOM 0 HG22 THR A 25 -9.940 -13.175 -1.668 1.00 0.00 H new ATOM 0 HG23 THR A 25 -9.376 -12.164 -3.020 1.00 0.00 H new ATOM 413 N VAL A 26 -10.362 -11.303 1.421 1.00 0.00 N ATOM 414 CA VAL A 26 -11.301 -11.848 2.395 1.00 0.00 C ATOM 415 C VAL A 26 -12.329 -10.790 2.796 1.00 0.00 C ATOM 416 O VAL A 26 -13.437 -11.112 3.222 1.00 0.00 O ATOM 417 CB VAL A 26 -10.558 -12.343 3.654 1.00 0.00 C ATOM 418 CG1 VAL A 26 -11.536 -12.823 4.717 1.00 0.00 C ATOM 419 CG2 VAL A 26 -9.572 -13.444 3.289 1.00 0.00 C ATOM 0 H VAL A 26 -9.461 -11.032 1.816 1.00 0.00 H new ATOM 0 HA VAL A 26 -11.813 -12.691 1.931 1.00 0.00 H new ATOM 0 HB VAL A 26 -10.001 -11.504 4.071 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -10.983 -13.166 5.592 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -12.195 -12.003 5.002 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -12.131 -13.645 4.319 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -9.056 -13.783 4.187 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -10.110 -14.280 2.842 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -8.844 -13.058 2.576 1.00 0.00 H new ATOM 429 N LYS A 27 -11.941 -9.526 2.657 1.00 0.00 N ATOM 430 CA LYS A 27 -12.811 -8.408 2.999 1.00 0.00 C ATOM 431 C LYS A 27 -13.946 -8.260 1.986 1.00 0.00 C ATOM 432 O LYS A 27 -14.961 -7.623 2.270 1.00 0.00 O ATOM 433 CB LYS A 27 -11.985 -7.122 3.062 1.00 0.00 C ATOM 434 CG LYS A 27 -12.727 -5.923 3.635 1.00 0.00 C ATOM 435 CD LYS A 27 -13.483 -6.266 4.912 1.00 0.00 C ATOM 436 CE LYS A 27 -12.582 -6.935 5.939 1.00 0.00 C ATOM 437 NZ LYS A 27 -13.262 -7.088 7.255 1.00 0.00 N ATOM 0 H LYS A 27 -11.023 -9.250 2.307 1.00 0.00 H new ATOM 0 HA LYS A 27 -13.260 -8.602 3.973 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -11.096 -7.305 3.665 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -11.643 -6.875 2.057 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -12.016 -5.123 3.840 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -13.428 -5.543 2.892 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -13.908 -5.357 5.338 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -14.317 -6.927 4.675 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -12.277 -7.915 5.571 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -11.674 -6.345 6.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -12.731 -7.761 7.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -13.303 -6.166 7.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -14.228 -7.445 7.107 1.00 0.00 H new ATOM 451 N LYS A 28 -13.771 -8.853 0.808 1.00 0.00 N ATOM 452 CA LYS A 28 -14.785 -8.791 -0.245 1.00 0.00 C ATOM 453 C LYS A 28 -14.889 -7.383 -0.826 1.00 0.00 C ATOM 454 O LYS A 28 -15.972 -6.800 -0.880 1.00 0.00 O ATOM 455 CB LYS A 28 -16.147 -9.235 0.297 1.00 0.00 C ATOM 456 CG LYS A 28 -16.080 -10.488 1.156 1.00 0.00 C ATOM 457 CD LYS A 28 -15.433 -11.642 0.407 1.00 0.00 C ATOM 458 CE LYS A 28 -16.380 -12.242 -0.619 1.00 0.00 C ATOM 459 NZ LYS A 28 -15.867 -13.529 -1.164 1.00 0.00 N ATOM 0 H LYS A 28 -12.936 -9.383 0.557 1.00 0.00 H new ATOM 0 HA LYS A 28 -14.481 -9.470 -1.042 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -16.577 -8.424 0.885 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -16.821 -9.414 -0.540 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -15.514 -10.279 2.063 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -17.086 -10.772 1.466 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -14.529 -11.292 -0.092 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -15.128 -12.412 1.116 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -17.355 -12.405 -0.161 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -16.526 -11.535 -1.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -16.542 -13.905 -1.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -14.948 -13.369 -1.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -15.752 -14.213 -0.389 1.00 0.00 H new ATOM 473 N GLN A 29 -13.757 -6.844 -1.265 1.00 0.00 N ATOM 474 CA GLN A 29 -13.723 -5.508 -1.845 1.00 0.00 C ATOM 475 C GLN A 29 -12.718 -5.435 -2.992 1.00 0.00 C ATOM 476 O GLN A 29 -11.677 -6.090 -2.957 1.00 0.00 O ATOM 477 CB GLN A 29 -13.367 -4.476 -0.773 1.00 0.00 C ATOM 478 CG GLN A 29 -14.574 -3.938 -0.023 1.00 0.00 C ATOM 479 CD GLN A 29 -15.482 -3.101 -0.902 1.00 0.00 C ATOM 480 OE1 GLN A 29 -15.341 -1.881 -0.976 1.00 0.00 O ATOM 481 NE2 GLN A 29 -16.424 -3.755 -1.572 1.00 0.00 N ATOM 0 H GLN A 29 -12.851 -7.312 -1.230 1.00 0.00 H new ATOM 0 HA GLN A 29 -14.714 -5.286 -2.242 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -12.678 -4.928 -0.060 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -12.840 -3.645 -1.241 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -15.142 -4.772 0.389 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -14.234 -3.336 0.820 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -16.505 -4.768 -1.481 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -17.067 -3.245 -2.178 1.00 0.00 H new ATOM 490 N PRO A 30 -13.014 -4.628 -4.026 1.00 0.00 N ATOM 491 CA PRO A 30 -12.126 -4.468 -5.181 1.00 0.00 C ATOM 492 C PRO A 30 -10.919 -3.599 -4.854 1.00 0.00 C ATOM 493 O PRO A 30 -11.046 -2.586 -4.166 1.00 0.00 O ATOM 494 CB PRO A 30 -13.018 -3.771 -6.206 1.00 0.00 C ATOM 495 CG PRO A 30 -13.962 -2.972 -5.380 1.00 0.00 C ATOM 496 CD PRO A 30 -14.232 -3.800 -4.151 1.00 0.00 C ATOM 0 HA PRO A 30 -11.715 -5.417 -5.524 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -12.437 -3.136 -6.874 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -13.546 -4.491 -6.831 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -13.530 -2.007 -5.115 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -14.884 -2.769 -5.925 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -14.386 -3.176 -3.271 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -15.125 -4.413 -4.267 1.00 0.00 H new ATOM 504 N PHE A 31 -9.750 -3.993 -5.344 1.00 0.00 N ATOM 505 CA PHE A 31 -8.535 -3.233 -5.085 1.00 0.00 C ATOM 506 C PHE A 31 -7.448 -3.516 -6.118 1.00 0.00 C ATOM 507 O PHE A 31 -7.561 -4.441 -6.921 1.00 0.00 O ATOM 508 CB PHE A 31 -8.031 -3.520 -3.683 1.00 0.00 C ATOM 509 CG PHE A 31 -7.191 -4.753 -3.593 1.00 0.00 C ATOM 510 CD1 PHE A 31 -5.850 -4.707 -3.916 1.00 0.00 C ATOM 511 CD2 PHE A 31 -7.747 -5.957 -3.203 1.00 0.00 C ATOM 512 CE1 PHE A 31 -5.072 -5.842 -3.851 1.00 0.00 C ATOM 513 CE2 PHE A 31 -6.978 -7.098 -3.137 1.00 0.00 C ATOM 514 CZ PHE A 31 -5.635 -7.043 -3.462 1.00 0.00 C ATOM 0 H PHE A 31 -9.618 -4.826 -5.917 1.00 0.00 H new ATOM 0 HA PHE A 31 -8.783 -2.175 -5.167 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -7.449 -2.667 -3.333 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -8.884 -3.621 -3.012 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -5.406 -3.772 -4.223 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -8.795 -6.004 -2.947 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -4.023 -5.793 -4.104 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -7.423 -8.034 -2.832 1.00 0.00 H new ATOM 0 HZ PHE A 31 -5.028 -7.935 -3.412 1.00 0.00 H new ATOM 524 N GLU A 32 -6.389 -2.708 -6.082 1.00 0.00 N ATOM 525 CA GLU A 32 -5.274 -2.864 -7.008 1.00 0.00 C ATOM 526 C GLU A 32 -3.952 -2.537 -6.323 1.00 0.00 C ATOM 527 O GLU A 32 -3.879 -1.632 -5.493 1.00 0.00 O ATOM 528 CB GLU A 32 -5.463 -1.963 -8.229 1.00 0.00 C ATOM 529 CG GLU A 32 -4.899 -2.551 -9.513 1.00 0.00 C ATOM 530 CD GLU A 32 -3.602 -1.892 -9.937 1.00 0.00 C ATOM 531 OE1 GLU A 32 -3.484 -0.658 -9.781 1.00 0.00 O ATOM 532 OE2 GLU A 32 -2.703 -2.609 -10.423 1.00 0.00 O ATOM 0 H GLU A 32 -6.282 -1.939 -5.420 1.00 0.00 H new ATOM 0 HA GLU A 32 -5.250 -3.904 -7.335 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -6.527 -1.768 -8.365 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -4.985 -1.002 -8.039 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -4.731 -3.619 -9.376 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -5.634 -2.444 -10.311 1.00 0.00 H new ATOM 539 N PHE A 33 -2.911 -3.282 -6.674 1.00 0.00 N ATOM 540 CA PHE A 33 -1.597 -3.080 -6.095 1.00 0.00 C ATOM 541 C PHE A 33 -0.787 -2.068 -6.898 1.00 0.00 C ATOM 542 O PHE A 33 -1.052 -1.836 -8.078 1.00 0.00 O ATOM 543 CB PHE A 33 -0.849 -4.408 -6.039 1.00 0.00 C ATOM 544 CG PHE A 33 0.301 -4.392 -5.087 1.00 0.00 C ATOM 545 CD1 PHE A 33 0.077 -4.323 -3.727 1.00 0.00 C ATOM 546 CD2 PHE A 33 1.602 -4.431 -5.552 1.00 0.00 C ATOM 547 CE1 PHE A 33 1.135 -4.296 -2.839 1.00 0.00 C ATOM 548 CE2 PHE A 33 2.667 -4.401 -4.671 1.00 0.00 C ATOM 549 CZ PHE A 33 2.431 -4.334 -3.312 1.00 0.00 C ATOM 0 H PHE A 33 -2.956 -4.035 -7.361 1.00 0.00 H new ATOM 0 HA PHE A 33 -1.728 -2.687 -5.087 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -1.543 -5.197 -5.748 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -0.484 -4.655 -7.036 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -0.936 -4.290 -3.353 1.00 0.00 H new ATOM 0 HD2 PHE A 33 1.789 -4.485 -6.614 1.00 0.00 H new ATOM 0 HE1 PHE A 33 0.948 -4.245 -1.776 1.00 0.00 H new ATOM 0 HE2 PHE A 33 3.680 -4.430 -5.044 1.00 0.00 H new ATOM 0 HZ PHE A 33 3.260 -4.311 -2.620 1.00 0.00 H new ATOM 559 N ILE A 34 0.213 -1.480 -6.249 1.00 0.00 N ATOM 560 CA ILE A 34 1.084 -0.503 -6.891 1.00 0.00 C ATOM 561 C ILE A 34 2.497 -0.623 -6.346 1.00 0.00 C ATOM 562 O ILE A 34 2.733 -0.471 -5.147 1.00 0.00 O ATOM 563 CB ILE A 34 0.585 0.939 -6.702 1.00 0.00 C ATOM 564 CG1 ILE A 34 -0.928 1.000 -6.903 1.00 0.00 C ATOM 565 CG2 ILE A 34 1.292 1.875 -7.670 1.00 0.00 C ATOM 566 CD1 ILE A 34 -1.541 2.328 -6.517 1.00 0.00 C ATOM 0 H ILE A 34 0.441 -1.665 -5.272 1.00 0.00 H new ATOM 0 HA ILE A 34 1.075 -0.722 -7.959 1.00 0.00 H new ATOM 0 HB ILE A 34 0.814 1.261 -5.686 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.155 0.796 -7.949 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -1.396 0.210 -6.315 1.00 0.00 H new ATOM 0 HG21 ILE A 34 0.928 2.892 -7.524 1.00 0.00 H new ATOM 0 HG22 ILE A 34 2.366 1.844 -7.487 1.00 0.00 H new ATOM 0 HG23 ILE A 34 1.089 1.561 -8.694 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -2.617 2.295 -6.687 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -1.346 2.526 -5.463 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -1.102 3.121 -7.122 1.00 0.00 H new ATOM 578 N ASN A 35 3.424 -0.916 -7.237 1.00 0.00 N ATOM 579 CA ASN A 35 4.823 -1.082 -6.866 1.00 0.00 C ATOM 580 C ASN A 35 5.586 0.232 -6.960 1.00 0.00 C ATOM 581 O ASN A 35 5.487 0.953 -7.952 1.00 0.00 O ATOM 582 CB ASN A 35 5.487 -2.136 -7.754 1.00 0.00 C ATOM 583 CG ASN A 35 5.311 -1.845 -9.231 1.00 0.00 C ATOM 584 OD1 ASN A 35 4.725 -0.831 -9.610 1.00 0.00 O ATOM 585 ND2 ASN A 35 5.818 -2.738 -10.073 1.00 0.00 N ATOM 0 H ASN A 35 3.235 -1.046 -8.231 1.00 0.00 H new ATOM 0 HA ASN A 35 4.852 -1.415 -5.829 1.00 0.00 H new ATOM 0 HB2 ASN A 35 6.551 -2.185 -7.521 1.00 0.00 H new ATOM 0 HB3 ASN A 35 5.066 -3.115 -7.527 1.00 0.00 H new ATOM 0 HD21 ASN A 35 5.730 -2.598 -11.079 1.00 0.00 H new ATOM 0 HD22 ASN A 35 6.296 -3.564 -9.713 1.00 0.00 H new ATOM 592 N ILE A 36 6.357 0.528 -5.919 1.00 0.00 N ATOM 593 CA ILE A 36 7.151 1.747 -5.877 1.00 0.00 C ATOM 594 C ILE A 36 8.540 1.517 -6.465 1.00 0.00 C ATOM 595 O ILE A 36 9.203 2.457 -6.902 1.00 0.00 O ATOM 596 CB ILE A 36 7.296 2.274 -4.436 1.00 0.00 C ATOM 597 CG1 ILE A 36 7.850 1.180 -3.521 1.00 0.00 C ATOM 598 CG2 ILE A 36 5.957 2.778 -3.920 1.00 0.00 C ATOM 599 CD1 ILE A 36 8.627 1.718 -2.338 1.00 0.00 C ATOM 0 H ILE A 36 6.448 -0.062 -5.092 1.00 0.00 H new ATOM 0 HA ILE A 36 6.624 2.490 -6.475 1.00 0.00 H new ATOM 0 HB ILE A 36 7.999 3.107 -4.439 1.00 0.00 H new ATOM 0 HG12 ILE A 36 7.024 0.570 -3.156 1.00 0.00 H new ATOM 0 HG13 ILE A 36 8.498 0.524 -4.103 1.00 0.00 H new ATOM 0 HG21 ILE A 36 6.075 3.147 -2.901 1.00 0.00 H new ATOM 0 HG22 ILE A 36 5.601 3.586 -4.560 1.00 0.00 H new ATOM 0 HG23 ILE A 36 5.233 1.963 -3.929 1.00 0.00 H new ATOM 0 HD11 ILE A 36 8.990 0.887 -1.733 1.00 0.00 H new ATOM 0 HD12 ILE A 36 9.474 2.304 -2.695 1.00 0.00 H new ATOM 0 HD13 ILE A 36 7.977 2.351 -1.733 1.00 0.00 H new ATOM 611 N MET A 37 8.973 0.260 -6.476 1.00 0.00 N ATOM 612 CA MET A 37 10.280 -0.090 -7.013 1.00 0.00 C ATOM 613 C MET A 37 10.152 -1.140 -8.117 1.00 0.00 C ATOM 614 O MET A 37 10.162 -2.341 -7.846 1.00 0.00 O ATOM 615 CB MET A 37 11.196 -0.610 -5.896 1.00 0.00 C ATOM 616 CG MET A 37 12.495 -1.212 -6.407 1.00 0.00 C ATOM 617 SD MET A 37 13.934 -0.703 -5.443 1.00 0.00 S ATOM 618 CE MET A 37 13.399 -1.111 -3.783 1.00 0.00 C ATOM 0 H MET A 37 8.437 -0.531 -6.119 1.00 0.00 H new ATOM 0 HA MET A 37 10.721 0.810 -7.442 1.00 0.00 H new ATOM 0 HB2 MET A 37 11.428 0.210 -5.216 1.00 0.00 H new ATOM 0 HB3 MET A 37 10.659 -1.362 -5.318 1.00 0.00 H new ATOM 0 HG2 MET A 37 12.418 -2.299 -6.388 1.00 0.00 H new ATOM 0 HG3 MET A 37 12.640 -0.921 -7.447 1.00 0.00 H new ATOM 0 HE1 MET A 37 14.271 -1.265 -3.147 1.00 0.00 H new ATOM 0 HE2 MET A 37 12.798 -0.294 -3.383 1.00 0.00 H new ATOM 0 HE3 MET A 37 12.802 -2.023 -3.807 1.00 0.00 H new ATOM 628 N PRO A 38 10.026 -0.699 -9.380 1.00 0.00 N ATOM 629 CA PRO A 38 9.894 -1.600 -10.528 1.00 0.00 C ATOM 630 C PRO A 38 11.212 -2.285 -10.891 1.00 0.00 C ATOM 631 O PRO A 38 11.252 -3.131 -11.786 1.00 0.00 O ATOM 632 CB PRO A 38 9.442 -0.676 -11.673 1.00 0.00 C ATOM 633 CG PRO A 38 9.169 0.654 -11.046 1.00 0.00 C ATOM 634 CD PRO A 38 9.997 0.706 -9.796 1.00 0.00 C ATOM 0 HA PRO A 38 9.197 -2.412 -10.319 1.00 0.00 H new ATOM 0 HB2 PRO A 38 10.215 -0.596 -12.438 1.00 0.00 H new ATOM 0 HB3 PRO A 38 8.550 -1.068 -12.161 1.00 0.00 H new ATOM 0 HG2 PRO A 38 9.435 1.466 -11.723 1.00 0.00 H new ATOM 0 HG3 PRO A 38 8.109 0.766 -10.816 1.00 0.00 H new ATOM 0 HD2 PRO A 38 10.998 1.094 -9.987 1.00 0.00 H new ATOM 0 HD3 PRO A 38 9.547 1.345 -9.037 1.00 0.00 H new ATOM 642 N GLU A 39 12.288 -1.916 -10.200 1.00 0.00 N ATOM 643 CA GLU A 39 13.601 -2.497 -10.459 1.00 0.00 C ATOM 644 C GLU A 39 14.346 -2.755 -9.154 1.00 0.00 C ATOM 645 O GLU A 39 14.343 -1.919 -8.253 1.00 0.00 O ATOM 646 CB GLU A 39 14.422 -1.565 -11.352 1.00 0.00 C ATOM 647 CG GLU A 39 15.277 -2.298 -12.375 1.00 0.00 C ATOM 648 CD GLU A 39 16.708 -1.798 -12.411 1.00 0.00 C ATOM 649 OE1 GLU A 39 16.986 -0.743 -11.802 1.00 0.00 O ATOM 650 OE2 GLU A 39 17.552 -2.460 -13.051 1.00 0.00 O ATOM 0 H GLU A 39 12.276 -1.217 -9.457 1.00 0.00 H new ATOM 0 HA GLU A 39 13.459 -3.449 -10.970 1.00 0.00 H new ATOM 0 HB2 GLU A 39 13.746 -0.888 -11.874 1.00 0.00 H new ATOM 0 HB3 GLU A 39 15.068 -0.950 -10.725 1.00 0.00 H new ATOM 0 HG2 GLU A 39 15.275 -3.364 -12.147 1.00 0.00 H new ATOM 0 HG3 GLU A 39 14.832 -2.183 -13.363 1.00 0.00 H new ATOM 657 N LYS A 40 14.991 -3.915 -9.056 1.00 0.00 N ATOM 658 CA LYS A 40 15.734 -4.271 -7.849 1.00 0.00 C ATOM 659 C LYS A 40 16.902 -3.329 -7.597 1.00 0.00 C ATOM 660 O LYS A 40 17.534 -3.367 -6.542 1.00 0.00 O ATOM 661 CB LYS A 40 16.224 -5.719 -7.918 1.00 0.00 C ATOM 662 CG LYS A 40 16.690 -6.266 -6.578 1.00 0.00 C ATOM 663 CD LYS A 40 17.394 -7.604 -6.736 1.00 0.00 C ATOM 664 CE LYS A 40 18.799 -7.431 -7.291 1.00 0.00 C ATOM 665 NZ LYS A 40 18.851 -7.677 -8.757 1.00 0.00 N ATOM 0 H LYS A 40 15.015 -4.621 -9.792 1.00 0.00 H new ATOM 0 HA LYS A 40 15.045 -4.172 -7.010 1.00 0.00 H new ATOM 0 HB2 LYS A 40 15.420 -6.349 -8.299 1.00 0.00 H new ATOM 0 HB3 LYS A 40 17.044 -5.783 -8.633 1.00 0.00 H new ATOM 0 HG2 LYS A 40 17.366 -5.552 -6.108 1.00 0.00 H new ATOM 0 HG3 LYS A 40 15.834 -6.381 -5.913 1.00 0.00 H new ATOM 0 HD2 LYS A 40 17.442 -8.107 -5.770 1.00 0.00 H new ATOM 0 HD3 LYS A 40 16.815 -8.245 -7.401 1.00 0.00 H new ATOM 0 HE2 LYS A 40 19.151 -6.421 -7.080 1.00 0.00 H new ATOM 0 HE3 LYS A 40 19.477 -8.117 -6.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 19.319 -8.588 -8.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 17.884 -7.702 -9.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 19.386 -6.914 -9.218 1.00 0.00 H new ATOM 679 N GLY A 41 17.166 -2.487 -8.568 1.00 0.00 N ATOM 680 CA GLY A 41 18.247 -1.525 -8.460 1.00 0.00 C ATOM 681 C GLY A 41 17.808 -0.246 -7.775 1.00 0.00 C ATOM 682 O GLY A 41 18.282 0.080 -6.686 1.00 0.00 O ATOM 0 H GLY A 41 16.648 -2.445 -9.446 1.00 0.00 H new ATOM 0 HA2 GLY A 41 19.072 -1.969 -7.903 1.00 0.00 H new ATOM 0 HA3 GLY A 41 18.624 -1.291 -9.456 1.00 0.00 H new ATOM 686 N VAL A 42 16.892 0.473 -8.412 1.00 0.00 N ATOM 687 CA VAL A 42 16.379 1.720 -7.861 1.00 0.00 C ATOM 688 C VAL A 42 14.884 1.854 -8.122 1.00 0.00 C ATOM 689 O VAL A 42 14.402 1.504 -9.199 1.00 0.00 O ATOM 690 CB VAL A 42 17.106 2.943 -8.451 1.00 0.00 C ATOM 691 CG1 VAL A 42 16.750 4.202 -7.675 1.00 0.00 C ATOM 692 CG2 VAL A 42 18.612 2.718 -8.454 1.00 0.00 C ATOM 0 H VAL A 42 16.489 0.213 -9.312 1.00 0.00 H new ATOM 0 HA VAL A 42 16.560 1.690 -6.787 1.00 0.00 H new ATOM 0 HB VAL A 42 16.779 3.075 -9.482 1.00 0.00 H new ATOM 0 HG11 VAL A 42 17.273 5.055 -8.106 1.00 0.00 H new ATOM 0 HG12 VAL A 42 15.674 4.371 -7.729 1.00 0.00 H new ATOM 0 HG13 VAL A 42 17.047 4.083 -6.633 1.00 0.00 H new ATOM 0 HG21 VAL A 42 19.110 3.592 -8.874 1.00 0.00 H new ATOM 0 HG22 VAL A 42 18.958 2.559 -7.433 1.00 0.00 H new ATOM 0 HG23 VAL A 42 18.848 1.841 -9.057 1.00 0.00 H new ATOM 702 N PHE A 43 14.151 2.356 -7.132 1.00 0.00 N ATOM 703 CA PHE A 43 12.707 2.522 -7.274 1.00 0.00 C ATOM 704 C PHE A 43 12.370 3.613 -8.282 1.00 0.00 C ATOM 705 O PHE A 43 13.244 4.354 -8.729 1.00 0.00 O ATOM 706 CB PHE A 43 12.035 2.829 -5.930 1.00 0.00 C ATOM 707 CG PHE A 43 12.895 3.586 -4.963 1.00 0.00 C ATOM 708 CD1 PHE A 43 13.592 4.708 -5.368 1.00 0.00 C ATOM 709 CD2 PHE A 43 12.998 3.171 -3.647 1.00 0.00 C ATOM 710 CE1 PHE A 43 14.380 5.410 -4.476 1.00 0.00 C ATOM 711 CE2 PHE A 43 13.785 3.866 -2.748 1.00 0.00 C ATOM 712 CZ PHE A 43 14.477 4.987 -3.163 1.00 0.00 C ATOM 0 H PHE A 43 14.528 2.652 -6.232 1.00 0.00 H new ATOM 0 HA PHE A 43 12.318 1.573 -7.643 1.00 0.00 H new ATOM 0 HB2 PHE A 43 11.127 3.403 -6.115 1.00 0.00 H new ATOM 0 HB3 PHE A 43 11.730 1.890 -5.468 1.00 0.00 H new ATOM 0 HD1 PHE A 43 13.520 5.040 -6.393 1.00 0.00 H new ATOM 0 HD2 PHE A 43 12.458 2.295 -3.319 1.00 0.00 H new ATOM 0 HE1 PHE A 43 14.919 6.287 -4.803 1.00 0.00 H new ATOM 0 HE2 PHE A 43 13.859 3.533 -1.723 1.00 0.00 H new ATOM 0 HZ PHE A 43 15.093 5.532 -2.463 1.00 0.00 H new ATOM 722 N ASP A 44 11.091 3.699 -8.637 1.00 0.00 N ATOM 723 CA ASP A 44 10.628 4.693 -9.599 1.00 0.00 C ATOM 724 C ASP A 44 10.138 5.954 -8.895 1.00 0.00 C ATOM 725 O ASP A 44 9.075 5.957 -8.275 1.00 0.00 O ATOM 726 CB ASP A 44 9.507 4.111 -10.463 1.00 0.00 C ATOM 727 CG ASP A 44 9.515 4.671 -11.872 1.00 0.00 C ATOM 728 OD1 ASP A 44 10.350 4.221 -12.685 1.00 0.00 O ATOM 729 OD2 ASP A 44 8.688 5.559 -12.163 1.00 0.00 O ATOM 0 H ASP A 44 10.357 3.092 -8.272 1.00 0.00 H new ATOM 0 HA ASP A 44 11.471 4.962 -10.236 1.00 0.00 H new ATOM 0 HB2 ASP A 44 9.610 3.027 -10.505 1.00 0.00 H new ATOM 0 HB3 ASP A 44 8.545 4.322 -9.996 1.00 0.00 H new ATOM 734 N ASP A 45 10.916 7.027 -9.002 1.00 0.00 N ATOM 735 CA ASP A 45 10.562 8.298 -8.381 1.00 0.00 C ATOM 736 C ASP A 45 9.187 8.779 -8.845 1.00 0.00 C ATOM 737 O ASP A 45 8.543 9.583 -8.170 1.00 0.00 O ATOM 738 CB ASP A 45 11.620 9.353 -8.707 1.00 0.00 C ATOM 739 CG ASP A 45 11.945 9.402 -10.188 1.00 0.00 C ATOM 740 OD1 ASP A 45 11.015 9.625 -10.993 1.00 0.00 O ATOM 741 OD2 ASP A 45 13.128 9.217 -10.543 1.00 0.00 O ATOM 0 H ASP A 45 11.798 7.041 -9.514 1.00 0.00 H new ATOM 0 HA ASP A 45 10.522 8.146 -7.302 1.00 0.00 H new ATOM 0 HB2 ASP A 45 11.267 10.332 -8.382 1.00 0.00 H new ATOM 0 HB3 ASP A 45 12.529 9.139 -8.144 1.00 0.00 H new ATOM 746 N GLU A 46 8.742 8.288 -10.000 1.00 0.00 N ATOM 747 CA GLU A 46 7.444 8.674 -10.546 1.00 0.00 C ATOM 748 C GLU A 46 6.324 8.364 -9.559 1.00 0.00 C ATOM 749 O GLU A 46 5.503 9.226 -9.245 1.00 0.00 O ATOM 750 CB GLU A 46 7.184 7.954 -11.869 1.00 0.00 C ATOM 751 CG GLU A 46 6.004 8.517 -12.645 1.00 0.00 C ATOM 752 CD GLU A 46 6.181 8.395 -14.146 1.00 0.00 C ATOM 753 OE1 GLU A 46 6.961 7.523 -14.583 1.00 0.00 O ATOM 754 OE2 GLU A 46 5.539 9.171 -14.884 1.00 0.00 O ATOM 0 H GLU A 46 9.261 7.623 -10.574 1.00 0.00 H new ATOM 0 HA GLU A 46 7.462 9.749 -10.724 1.00 0.00 H new ATOM 0 HB2 GLU A 46 8.079 8.015 -12.489 1.00 0.00 H new ATOM 0 HB3 GLU A 46 7.006 6.897 -11.669 1.00 0.00 H new ATOM 0 HG2 GLU A 46 5.095 7.995 -12.346 1.00 0.00 H new ATOM 0 HG3 GLU A 46 5.869 9.566 -12.383 1.00 0.00 H new ATOM 761 N LYS A 47 6.302 7.130 -9.070 1.00 0.00 N ATOM 762 CA LYS A 47 5.286 6.710 -8.111 1.00 0.00 C ATOM 763 C LYS A 47 5.609 7.255 -6.726 1.00 0.00 C ATOM 764 O LYS A 47 4.714 7.611 -5.960 1.00 0.00 O ATOM 765 CB LYS A 47 5.191 5.184 -8.066 1.00 0.00 C ATOM 766 CG LYS A 47 3.913 4.674 -7.422 1.00 0.00 C ATOM 767 CD LYS A 47 2.715 4.860 -8.339 1.00 0.00 C ATOM 768 CE LYS A 47 2.748 3.883 -9.505 1.00 0.00 C ATOM 769 NZ LYS A 47 3.144 4.550 -10.776 1.00 0.00 N ATOM 0 H LYS A 47 6.974 6.404 -9.320 1.00 0.00 H new ATOM 0 HA LYS A 47 4.324 7.110 -8.431 1.00 0.00 H new ATOM 0 HB2 LYS A 47 5.257 4.794 -9.082 1.00 0.00 H new ATOM 0 HB3 LYS A 47 6.047 4.791 -7.517 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.024 3.618 -7.177 1.00 0.00 H new ATOM 0 HG3 LYS A 47 3.741 5.203 -6.484 1.00 0.00 H new ATOM 0 HD2 LYS A 47 1.795 4.719 -7.771 1.00 0.00 H new ATOM 0 HD3 LYS A 47 2.702 5.881 -8.719 1.00 0.00 H new ATOM 0 HE2 LYS A 47 3.448 3.077 -9.284 1.00 0.00 H new ATOM 0 HE3 LYS A 47 1.765 3.427 -9.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 3.651 3.872 -11.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 2.294 4.886 -11.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 3.764 5.358 -10.566 1.00 0.00 H new ATOM 783 N ILE A 48 6.898 7.324 -6.419 1.00 0.00 N ATOM 784 CA ILE A 48 7.355 7.831 -5.133 1.00 0.00 C ATOM 785 C ILE A 48 6.952 9.291 -4.950 1.00 0.00 C ATOM 786 O ILE A 48 6.489 9.690 -3.881 1.00 0.00 O ATOM 787 CB ILE A 48 8.890 7.718 -5.008 1.00 0.00 C ATOM 788 CG1 ILE A 48 9.338 6.262 -5.156 1.00 0.00 C ATOM 789 CG2 ILE A 48 9.368 8.296 -3.685 1.00 0.00 C ATOM 790 CD1 ILE A 48 8.898 5.369 -4.018 1.00 0.00 C ATOM 0 H ILE A 48 7.648 7.034 -7.047 1.00 0.00 H new ATOM 0 HA ILE A 48 6.884 7.224 -4.360 1.00 0.00 H new ATOM 0 HB ILE A 48 9.340 8.298 -5.814 1.00 0.00 H new ATOM 0 HG12 ILE A 48 8.944 5.864 -6.091 1.00 0.00 H new ATOM 0 HG13 ILE A 48 10.425 6.232 -5.230 1.00 0.00 H new ATOM 0 HG21 ILE A 48 10.452 8.206 -3.619 1.00 0.00 H new ATOM 0 HG22 ILE A 48 9.087 9.347 -3.625 1.00 0.00 H new ATOM 0 HG23 ILE A 48 8.908 7.750 -2.862 1.00 0.00 H new ATOM 0 HD11 ILE A 48 9.253 4.354 -4.194 1.00 0.00 H new ATOM 0 HD12 ILE A 48 9.314 5.741 -3.082 1.00 0.00 H new ATOM 0 HD13 ILE A 48 7.810 5.367 -3.957 1.00 0.00 H new ATOM 802 N ALA A 49 7.143 10.084 -5.998 1.00 0.00 N ATOM 803 CA ALA A 49 6.812 11.501 -5.955 1.00 0.00 C ATOM 804 C ALA A 49 5.310 11.713 -5.812 1.00 0.00 C ATOM 805 O ALA A 49 4.851 12.364 -4.872 1.00 0.00 O ATOM 806 CB ALA A 49 7.329 12.202 -7.202 1.00 0.00 C ATOM 0 H ALA A 49 7.526 9.768 -6.889 1.00 0.00 H new ATOM 0 HA ALA A 49 7.297 11.934 -5.080 1.00 0.00 H new ATOM 0 HB1 ALA A 49 7.074 13.261 -7.156 1.00 0.00 H new ATOM 0 HB2 ALA A 49 8.412 12.091 -7.259 1.00 0.00 H new ATOM 0 HB3 ALA A 49 6.872 11.757 -8.086 1.00 0.00 H new ATOM 812 N GLU A 50 4.545 11.157 -6.747 1.00 0.00 N ATOM 813 CA GLU A 50 3.093 11.290 -6.717 1.00 0.00 C ATOM 814 C GLU A 50 2.532 10.748 -5.407 1.00 0.00 C ATOM 815 O GLU A 50 1.541 11.261 -4.885 1.00 0.00 O ATOM 816 CB GLU A 50 2.460 10.563 -7.909 1.00 0.00 C ATOM 817 CG GLU A 50 2.497 9.047 -7.798 1.00 0.00 C ATOM 818 CD GLU A 50 2.302 8.363 -9.137 1.00 0.00 C ATOM 819 OE1 GLU A 50 3.093 8.635 -10.065 1.00 0.00 O ATOM 820 OE2 GLU A 50 1.355 7.556 -9.260 1.00 0.00 O ATOM 0 H GLU A 50 4.905 10.613 -7.531 1.00 0.00 H new ATOM 0 HA GLU A 50 2.846 12.349 -6.787 1.00 0.00 H new ATOM 0 HB2 GLU A 50 1.423 10.885 -8.009 1.00 0.00 H new ATOM 0 HB3 GLU A 50 2.976 10.863 -8.821 1.00 0.00 H new ATOM 0 HG2 GLU A 50 3.452 8.740 -7.372 1.00 0.00 H new ATOM 0 HG3 GLU A 50 1.720 8.717 -7.108 1.00 0.00 H new ATOM 827 N LEU A 51 3.180 9.717 -4.871 1.00 0.00 N ATOM 828 CA LEU A 51 2.749 9.115 -3.617 1.00 0.00 C ATOM 829 C LEU A 51 2.727 10.159 -2.507 1.00 0.00 C ATOM 830 O LEU A 51 1.724 10.323 -1.814 1.00 0.00 O ATOM 831 CB LEU A 51 3.679 7.962 -3.233 1.00 0.00 C ATOM 832 CG LEU A 51 3.381 7.308 -1.882 1.00 0.00 C ATOM 833 CD1 LEU A 51 1.887 7.080 -1.713 1.00 0.00 C ATOM 834 CD2 LEU A 51 4.136 5.995 -1.751 1.00 0.00 C ATOM 0 H LEU A 51 4.004 9.283 -5.287 1.00 0.00 H new ATOM 0 HA LEU A 51 1.741 8.724 -3.751 1.00 0.00 H new ATOM 0 HB2 LEU A 51 3.624 7.198 -4.009 1.00 0.00 H new ATOM 0 HB3 LEU A 51 4.704 8.332 -3.222 1.00 0.00 H new ATOM 0 HG LEU A 51 3.716 7.982 -1.094 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.697 6.614 -0.746 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.365 8.036 -1.764 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.526 6.427 -2.507 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.914 5.542 -0.785 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.829 5.318 -2.548 1.00 0.00 H new ATOM 0 HD23 LEU A 51 5.207 6.182 -1.826 1.00 0.00 H new ATOM 846 N LEU A 52 3.841 10.872 -2.351 1.00 0.00 N ATOM 847 CA LEU A 52 3.953 11.906 -1.338 1.00 0.00 C ATOM 848 C LEU A 52 2.802 12.896 -1.433 1.00 0.00 C ATOM 849 O LEU A 52 2.184 13.252 -0.429 1.00 0.00 O ATOM 850 CB LEU A 52 5.270 12.611 -1.500 1.00 0.00 C ATOM 851 CG LEU A 52 6.447 11.743 -1.105 1.00 0.00 C ATOM 852 CD1 LEU A 52 7.716 12.468 -1.402 1.00 0.00 C ATOM 853 CD2 LEU A 52 6.364 11.367 0.365 1.00 0.00 C ATOM 0 H LEU A 52 4.679 10.748 -2.919 1.00 0.00 H new ATOM 0 HA LEU A 52 3.905 11.443 -0.352 1.00 0.00 H new ATOM 0 HB2 LEU A 52 5.386 12.923 -2.538 1.00 0.00 H new ATOM 0 HB3 LEU A 52 5.271 13.516 -0.893 1.00 0.00 H new ATOM 0 HG LEU A 52 6.425 10.819 -1.683 1.00 0.00 H new ATOM 0 HD11 LEU A 52 8.565 11.846 -1.119 1.00 0.00 H new ATOM 0 HD12 LEU A 52 7.768 12.689 -2.468 1.00 0.00 H new ATOM 0 HD13 LEU A 52 7.744 13.399 -0.836 1.00 0.00 H new ATOM 0 HD21 LEU A 52 7.218 10.744 0.630 1.00 0.00 H new ATOM 0 HD22 LEU A 52 6.373 12.272 0.973 1.00 0.00 H new ATOM 0 HD23 LEU A 52 5.442 10.816 0.548 1.00 0.00 H new ATOM 865 N THR A 53 2.512 13.326 -2.655 1.00 0.00 N ATOM 866 CA THR A 53 1.425 14.265 -2.900 1.00 0.00 C ATOM 867 C THR A 53 0.082 13.609 -2.603 1.00 0.00 C ATOM 868 O THR A 53 -0.841 14.255 -2.106 1.00 0.00 O ATOM 869 CB THR A 53 1.461 14.755 -4.349 1.00 0.00 C ATOM 870 OG1 THR A 53 2.719 15.329 -4.654 1.00 0.00 O ATOM 871 CG2 THR A 53 0.398 15.787 -4.657 1.00 0.00 C ATOM 0 H THR A 53 3.016 13.038 -3.494 1.00 0.00 H new ATOM 0 HA THR A 53 1.552 15.121 -2.237 1.00 0.00 H new ATOM 0 HB THR A 53 1.274 13.871 -4.958 1.00 0.00 H new ATOM 0 HG1 THR A 53 2.722 15.634 -5.585 1.00 0.00 H new ATOM 0 HG21 THR A 53 0.479 16.092 -5.700 1.00 0.00 H new ATOM 0 HG22 THR A 53 -0.588 15.358 -4.480 1.00 0.00 H new ATOM 0 HG23 THR A 53 0.537 16.655 -4.013 1.00 0.00 H new ATOM 879 N LYS A 54 -0.016 12.318 -2.905 1.00 0.00 N ATOM 880 CA LYS A 54 -1.241 11.566 -2.664 1.00 0.00 C ATOM 881 C LYS A 54 -1.559 11.527 -1.173 1.00 0.00 C ATOM 882 O LYS A 54 -2.724 11.505 -0.774 1.00 0.00 O ATOM 883 CB LYS A 54 -1.111 10.141 -3.211 1.00 0.00 C ATOM 884 CG LYS A 54 -2.432 9.548 -3.675 1.00 0.00 C ATOM 885 CD LYS A 54 -2.239 8.171 -4.288 1.00 0.00 C ATOM 886 CE LYS A 54 -3.572 7.509 -4.600 1.00 0.00 C ATOM 887 NZ LYS A 54 -3.404 6.280 -5.423 1.00 0.00 N ATOM 0 H LYS A 54 0.740 11.771 -3.318 1.00 0.00 H new ATOM 0 HA LYS A 54 -2.058 12.067 -3.183 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -0.409 10.143 -4.045 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -0.686 9.501 -2.438 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -3.118 9.479 -2.830 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -2.893 10.212 -4.406 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -1.652 8.257 -5.202 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -1.671 7.542 -3.602 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -4.078 7.255 -3.668 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -4.213 8.215 -5.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -3.887 6.404 -6.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -2.392 6.108 -5.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -3.816 5.467 -4.921 1.00 0.00 H new ATOM 901 N LEU A 55 -0.512 11.525 -0.354 1.00 0.00 N ATOM 902 CA LEU A 55 -0.668 11.495 1.095 1.00 0.00 C ATOM 903 C LEU A 55 -1.362 12.758 1.592 1.00 0.00 C ATOM 904 O LEU A 55 -2.368 12.690 2.299 1.00 0.00 O ATOM 905 CB LEU A 55 0.698 11.351 1.770 1.00 0.00 C ATOM 906 CG LEU A 55 1.428 10.025 1.516 1.00 0.00 C ATOM 907 CD1 LEU A 55 2.123 9.560 2.782 1.00 0.00 C ATOM 908 CD2 LEU A 55 0.470 8.949 1.022 1.00 0.00 C ATOM 0 H LEU A 55 0.457 11.544 -0.671 1.00 0.00 H new ATOM 0 HA LEU A 55 -1.287 10.636 1.353 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.337 12.167 1.433 1.00 0.00 H new ATOM 0 HB3 LEU A 55 0.566 11.472 2.845 1.00 0.00 H new ATOM 0 HG LEU A 55 2.172 10.197 0.738 1.00 0.00 H new ATOM 0 HD11 LEU A 55 2.637 8.618 2.590 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.847 10.312 3.097 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.384 9.415 3.570 1.00 0.00 H new ATOM 0 HD21 LEU A 55 1.019 8.023 0.852 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -0.304 8.780 1.770 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.008 9.273 0.089 1.00 0.00 H new ATOM 920 N GLY A 56 -0.817 13.910 1.217 1.00 0.00 N ATOM 921 CA GLY A 56 -1.390 15.179 1.633 1.00 0.00 C ATOM 922 C GLY A 56 -0.328 16.203 1.981 1.00 0.00 C ATOM 923 O GLY A 56 -0.447 17.375 1.625 1.00 0.00 O ATOM 0 H GLY A 56 0.014 13.989 0.631 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -2.020 15.570 0.834 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -2.034 15.018 2.498 1.00 0.00 H new ATOM 927 N ARG A 57 0.710 15.758 2.681 1.00 0.00 N ATOM 928 CA ARG A 57 1.800 16.641 3.083 1.00 0.00 C ATOM 929 C ARG A 57 2.986 16.508 2.133 1.00 0.00 C ATOM 930 O ARG A 57 2.862 15.948 1.043 1.00 0.00 O ATOM 931 CB ARG A 57 2.235 16.321 4.515 1.00 0.00 C ATOM 932 CG ARG A 57 2.408 17.553 5.389 1.00 0.00 C ATOM 933 CD ARG A 57 3.014 17.199 6.737 1.00 0.00 C ATOM 934 NE ARG A 57 2.373 17.922 7.833 1.00 0.00 N ATOM 935 CZ ARG A 57 2.645 17.713 9.118 1.00 0.00 C ATOM 936 NH1 ARG A 57 3.545 16.805 9.474 1.00 0.00 N ATOM 937 NH2 ARG A 57 2.016 18.414 10.051 1.00 0.00 N ATOM 0 H ARG A 57 0.820 14.790 2.982 1.00 0.00 H new ATOM 0 HA ARG A 57 1.441 17.669 3.040 1.00 0.00 H new ATOM 0 HB2 ARG A 57 1.496 15.663 4.972 1.00 0.00 H new ATOM 0 HB3 ARG A 57 3.176 15.772 4.486 1.00 0.00 H new ATOM 0 HG2 ARG A 57 3.047 18.275 4.880 1.00 0.00 H new ATOM 0 HG3 ARG A 57 1.441 18.033 5.538 1.00 0.00 H new ATOM 0 HD2 ARG A 57 2.920 16.126 6.906 1.00 0.00 H new ATOM 0 HD3 ARG A 57 4.080 17.427 6.726 1.00 0.00 H new ATOM 0 HE ARG A 57 1.676 18.629 7.599 1.00 0.00 H new ATOM 0 HH11 ARG A 57 4.032 16.263 8.761 1.00 0.00 H new ATOM 0 HH12 ARG A 57 3.749 16.649 10.461 1.00 0.00 H new ATOM 0 HH21 ARG A 57 1.324 19.113 9.783 1.00 0.00 H new ATOM 0 HH22 ARG A 57 2.224 18.254 11.037 1.00 0.00 H new ATOM 951 N ASP A 58 4.137 17.026 2.553 1.00 0.00 N ATOM 952 CA ASP A 58 5.346 16.964 1.739 1.00 0.00 C ATOM 953 C ASP A 58 6.301 15.899 2.266 1.00 0.00 C ATOM 954 O ASP A 58 7.026 15.264 1.499 1.00 0.00 O ATOM 955 CB ASP A 58 6.043 18.326 1.718 1.00 0.00 C ATOM 956 CG ASP A 58 5.080 19.465 1.442 1.00 0.00 C ATOM 957 OD1 ASP A 58 4.494 19.994 2.410 1.00 0.00 O ATOM 958 OD2 ASP A 58 4.913 19.827 0.259 1.00 0.00 O ATOM 0 H ASP A 58 4.257 17.493 3.452 1.00 0.00 H new ATOM 0 HA ASP A 58 5.057 16.697 0.723 1.00 0.00 H new ATOM 0 HB2 ASP A 58 6.535 18.494 2.676 1.00 0.00 H new ATOM 0 HB3 ASP A 58 6.822 18.320 0.956 1.00 0.00 H new ATOM 963 N THR A 59 6.298 15.709 3.581 1.00 0.00 N ATOM 964 CA THR A 59 7.163 14.721 4.213 1.00 0.00 C ATOM 965 C THR A 59 6.347 13.555 4.761 1.00 0.00 C ATOM 966 O THR A 59 5.124 13.640 4.874 1.00 0.00 O ATOM 967 CB THR A 59 7.976 15.366 5.337 1.00 0.00 C ATOM 968 OG1 THR A 59 8.575 14.376 6.156 1.00 0.00 O ATOM 969 CG2 THR A 59 7.150 16.265 6.233 1.00 0.00 C ATOM 0 H THR A 59 5.705 16.227 4.230 1.00 0.00 H new ATOM 0 HA THR A 59 7.847 14.337 3.456 1.00 0.00 H new ATOM 0 HB THR A 59 8.730 15.973 4.836 1.00 0.00 H new ATOM 0 HG1 THR A 59 9.092 14.809 6.867 1.00 0.00 H new ATOM 0 HG21 THR A 59 7.787 16.690 7.009 1.00 0.00 H new ATOM 0 HG22 THR A 59 6.715 17.069 5.640 1.00 0.00 H new ATOM 0 HG23 THR A 59 6.353 15.684 6.696 1.00 0.00 H new ATOM 977 N GLN A 60 7.032 12.470 5.104 1.00 0.00 N ATOM 978 CA GLN A 60 6.374 11.286 5.644 1.00 0.00 C ATOM 979 C GLN A 60 6.719 11.098 7.116 1.00 0.00 C ATOM 980 O GLN A 60 7.785 10.581 7.456 1.00 0.00 O ATOM 981 CB GLN A 60 6.783 10.043 4.855 1.00 0.00 C ATOM 982 CG GLN A 60 6.695 10.222 3.348 1.00 0.00 C ATOM 983 CD GLN A 60 6.583 8.901 2.612 1.00 0.00 C ATOM 984 OE1 GLN A 60 5.485 8.451 2.283 1.00 0.00 O ATOM 985 NE2 GLN A 60 7.723 8.272 2.350 1.00 0.00 N ATOM 0 H GLN A 60 8.045 12.386 5.017 1.00 0.00 H new ATOM 0 HA GLN A 60 5.297 11.428 5.553 1.00 0.00 H new ATOM 0 HB2 GLN A 60 7.805 9.774 5.121 1.00 0.00 H new ATOM 0 HB3 GLN A 60 6.146 9.209 5.151 1.00 0.00 H new ATOM 0 HG2 GLN A 60 5.831 10.842 3.109 1.00 0.00 H new ATOM 0 HG3 GLN A 60 7.578 10.756 2.997 1.00 0.00 H new ATOM 0 HE21 GLN A 60 8.610 8.682 2.641 1.00 0.00 H new ATOM 0 HE22 GLN A 60 7.711 7.379 1.857 1.00 0.00 H new ATOM 994 N ILE A 61 5.810 11.519 7.983 1.00 0.00 N ATOM 995 CA ILE A 61 6.008 11.400 9.423 1.00 0.00 C ATOM 996 C ILE A 61 5.984 9.941 9.864 1.00 0.00 C ATOM 997 O ILE A 61 4.973 9.450 10.367 1.00 0.00 O ATOM 998 CB ILE A 61 4.934 12.179 10.205 1.00 0.00 C ATOM 999 CG1 ILE A 61 3.538 11.830 9.684 1.00 0.00 C ATOM 1000 CG2 ILE A 61 5.184 13.677 10.103 1.00 0.00 C ATOM 1001 CD1 ILE A 61 2.468 11.865 10.754 1.00 0.00 C ATOM 0 H ILE A 61 4.924 11.948 7.715 1.00 0.00 H new ATOM 0 HA ILE A 61 6.987 11.826 9.642 1.00 0.00 H new ATOM 0 HB ILE A 61 4.992 11.892 11.255 1.00 0.00 H new ATOM 0 HG12 ILE A 61 3.270 12.528 8.891 1.00 0.00 H new ATOM 0 HG13 ILE A 61 3.563 10.835 9.239 1.00 0.00 H new ATOM 0 HG21 ILE A 61 4.416 14.213 10.661 1.00 0.00 H new ATOM 0 HG22 ILE A 61 6.164 13.911 10.518 1.00 0.00 H new ATOM 0 HG23 ILE A 61 5.151 13.981 9.057 1.00 0.00 H new ATOM 0 HD11 ILE A 61 1.505 11.608 10.314 1.00 0.00 H new ATOM 0 HD12 ILE A 61 2.713 11.147 11.537 1.00 0.00 H new ATOM 0 HD13 ILE A 61 2.415 12.866 11.183 1.00 0.00 H new ATOM 1013 N GLY A 62 7.103 9.251 9.674 1.00 0.00 N ATOM 1014 CA GLY A 62 7.189 7.855 10.059 1.00 0.00 C ATOM 1015 C GLY A 62 6.348 6.952 9.176 1.00 0.00 C ATOM 1016 O GLY A 62 6.046 5.818 9.549 1.00 0.00 O ATOM 0 H GLY A 62 7.953 9.634 9.260 1.00 0.00 H new ATOM 0 HA2 GLY A 62 8.230 7.533 10.014 1.00 0.00 H new ATOM 0 HA3 GLY A 62 6.866 7.747 11.094 1.00 0.00 H new ATOM 1020 N LEU A 63 5.966 7.454 8.006 1.00 0.00 N ATOM 1021 CA LEU A 63 5.156 6.681 7.074 1.00 0.00 C ATOM 1022 C LEU A 63 6.019 5.698 6.288 1.00 0.00 C ATOM 1023 O LEU A 63 7.131 6.026 5.874 1.00 0.00 O ATOM 1024 CB LEU A 63 4.409 7.616 6.120 1.00 0.00 C ATOM 1025 CG LEU A 63 2.886 7.542 6.215 1.00 0.00 C ATOM 1026 CD1 LEU A 63 2.408 6.127 5.936 1.00 0.00 C ATOM 1027 CD2 LEU A 63 2.418 8.003 7.586 1.00 0.00 C ATOM 0 H LEU A 63 6.204 8.391 7.682 1.00 0.00 H new ATOM 0 HA LEU A 63 4.427 6.109 7.648 1.00 0.00 H new ATOM 0 HB2 LEU A 63 4.722 8.641 6.318 1.00 0.00 H new ATOM 0 HB3 LEU A 63 4.707 7.384 5.098 1.00 0.00 H new ATOM 0 HG LEU A 63 2.457 8.206 5.464 1.00 0.00 H new ATOM 0 HD11 LEU A 63 1.321 6.089 6.007 1.00 0.00 H new ATOM 0 HD12 LEU A 63 2.716 5.830 4.934 1.00 0.00 H new ATOM 0 HD13 LEU A 63 2.843 5.445 6.667 1.00 0.00 H new ATOM 0 HD21 LEU A 63 1.331 7.945 7.638 1.00 0.00 H new ATOM 0 HD22 LEU A 63 2.853 7.363 8.353 1.00 0.00 H new ATOM 0 HD23 LEU A 63 2.734 9.033 7.751 1.00 0.00 H new ATOM 1039 N THR A 64 5.500 4.490 6.094 1.00 0.00 N ATOM 1040 CA THR A 64 6.228 3.456 5.370 1.00 0.00 C ATOM 1041 C THR A 64 5.301 2.648 4.467 1.00 0.00 C ATOM 1042 O THR A 64 4.080 2.785 4.527 1.00 0.00 O ATOM 1043 CB THR A 64 6.941 2.525 6.352 1.00 0.00 C ATOM 1044 OG1 THR A 64 7.192 3.187 7.578 1.00 0.00 O ATOM 1045 CG2 THR A 64 8.263 2.006 5.829 1.00 0.00 C ATOM 0 H THR A 64 4.580 4.204 6.428 1.00 0.00 H new ATOM 0 HA THR A 64 6.967 3.950 4.739 1.00 0.00 H new ATOM 0 HB THR A 64 6.267 1.680 6.492 1.00 0.00 H new ATOM 0 HG1 THR A 64 7.647 2.575 8.193 1.00 0.00 H new ATOM 0 HG21 THR A 64 8.717 1.352 6.573 1.00 0.00 H new ATOM 0 HG22 THR A 64 8.096 1.447 4.908 1.00 0.00 H new ATOM 0 HG23 THR A 64 8.929 2.845 5.628 1.00 0.00 H new ATOM 1053 N MET A 65 5.896 1.801 3.633 1.00 0.00 N ATOM 1054 CA MET A 65 5.134 0.959 2.723 1.00 0.00 C ATOM 1055 C MET A 65 4.787 -0.371 3.384 1.00 0.00 C ATOM 1056 O MET A 65 5.459 -0.800 4.320 1.00 0.00 O ATOM 1057 CB MET A 65 5.918 0.718 1.433 1.00 0.00 C ATOM 1058 CG MET A 65 5.838 1.873 0.447 1.00 0.00 C ATOM 1059 SD MET A 65 7.227 3.012 0.596 1.00 0.00 S ATOM 1060 CE MET A 65 6.414 4.579 0.296 1.00 0.00 C ATOM 0 H MET A 65 6.907 1.681 3.570 1.00 0.00 H new ATOM 0 HA MET A 65 4.207 1.476 2.477 1.00 0.00 H new ATOM 0 HB2 MET A 65 6.963 0.535 1.682 1.00 0.00 H new ATOM 0 HB3 MET A 65 5.542 -0.185 0.953 1.00 0.00 H new ATOM 0 HG2 MET A 65 5.805 1.477 -0.568 1.00 0.00 H new ATOM 0 HG3 MET A 65 4.908 2.418 0.607 1.00 0.00 H new ATOM 0 HE1 MET A 65 6.876 5.352 0.910 1.00 0.00 H new ATOM 0 HE2 MET A 65 6.513 4.844 -0.757 1.00 0.00 H new ATOM 0 HE3 MET A 65 5.358 4.496 0.552 1.00 0.00 H new ATOM 1070 N PRO A 66 3.721 -1.040 2.910 1.00 0.00 N ATOM 1071 CA PRO A 66 2.889 -0.569 1.799 1.00 0.00 C ATOM 1072 C PRO A 66 1.929 0.549 2.202 1.00 0.00 C ATOM 1073 O PRO A 66 1.434 0.587 3.329 1.00 0.00 O ATOM 1074 CB PRO A 66 2.099 -1.819 1.378 1.00 0.00 C ATOM 1075 CG PRO A 66 2.670 -2.945 2.176 1.00 0.00 C ATOM 1076 CD PRO A 66 3.242 -2.325 3.415 1.00 0.00 C ATOM 0 HA PRO A 66 3.500 -0.141 1.004 1.00 0.00 H new ATOM 0 HB2 PRO A 66 1.035 -1.696 1.580 1.00 0.00 H new ATOM 0 HB3 PRO A 66 2.201 -2.005 0.309 1.00 0.00 H new ATOM 0 HG2 PRO A 66 1.901 -3.676 2.425 1.00 0.00 H new ATOM 0 HG3 PRO A 66 3.440 -3.472 1.612 1.00 0.00 H new ATOM 0 HD2 PRO A 66 2.491 -2.204 4.196 1.00 0.00 H new ATOM 0 HD3 PRO A 66 4.048 -2.925 3.838 1.00 0.00 H new ATOM 1084 N GLN A 67 1.659 1.445 1.257 1.00 0.00 N ATOM 1085 CA GLN A 67 0.751 2.560 1.485 1.00 0.00 C ATOM 1086 C GLN A 67 -0.559 2.341 0.735 1.00 0.00 C ATOM 1087 O GLN A 67 -0.590 2.363 -0.494 1.00 0.00 O ATOM 1088 CB GLN A 67 1.405 3.869 1.034 1.00 0.00 C ATOM 1089 CG GLN A 67 1.333 4.977 2.070 1.00 0.00 C ATOM 1090 CD GLN A 67 2.265 4.743 3.242 1.00 0.00 C ATOM 1091 OE1 GLN A 67 3.384 5.256 3.272 1.00 0.00 O ATOM 1092 NE2 GLN A 67 1.806 3.971 4.221 1.00 0.00 N ATOM 0 H GLN A 67 2.061 1.418 0.320 1.00 0.00 H new ATOM 0 HA GLN A 67 0.534 2.622 2.551 1.00 0.00 H new ATOM 0 HB2 GLN A 67 2.450 3.678 0.792 1.00 0.00 H new ATOM 0 HB3 GLN A 67 0.923 4.209 0.118 1.00 0.00 H new ATOM 0 HG2 GLN A 67 1.581 5.927 1.598 1.00 0.00 H new ATOM 0 HG3 GLN A 67 0.310 5.061 2.436 1.00 0.00 H new ATOM 0 HE21 GLN A 67 0.872 3.566 4.156 1.00 0.00 H new ATOM 0 HE22 GLN A 67 2.387 3.784 5.038 1.00 0.00 H new ATOM 1101 N VAL A 68 -1.635 2.116 1.476 1.00 0.00 N ATOM 1102 CA VAL A 68 -2.936 1.879 0.864 1.00 0.00 C ATOM 1103 C VAL A 68 -3.747 3.165 0.740 1.00 0.00 C ATOM 1104 O VAL A 68 -3.473 4.154 1.420 1.00 0.00 O ATOM 1105 CB VAL A 68 -3.753 0.837 1.655 1.00 0.00 C ATOM 1106 CG1 VAL A 68 -4.933 0.347 0.830 1.00 0.00 C ATOM 1107 CG2 VAL A 68 -2.870 -0.330 2.077 1.00 0.00 C ATOM 0 H VAL A 68 -1.634 2.092 2.496 1.00 0.00 H new ATOM 0 HA VAL A 68 -2.738 1.492 -0.135 1.00 0.00 H new ATOM 0 HB VAL A 68 -4.139 1.315 2.555 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -5.498 -0.388 1.404 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -5.579 1.189 0.583 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -4.569 -0.113 -0.089 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -3.465 -1.054 2.634 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -2.452 -0.809 1.192 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -2.060 0.036 2.708 1.00 0.00 H new ATOM 1117 N PHE A 69 -4.752 3.140 -0.133 1.00 0.00 N ATOM 1118 CA PHE A 69 -5.607 4.302 -0.351 1.00 0.00 C ATOM 1119 C PHE A 69 -7.053 3.870 -0.563 1.00 0.00 C ATOM 1120 O PHE A 69 -7.321 2.796 -1.101 1.00 0.00 O ATOM 1121 CB PHE A 69 -5.109 5.100 -1.552 1.00 0.00 C ATOM 1122 CG PHE A 69 -3.780 5.743 -1.305 1.00 0.00 C ATOM 1123 CD1 PHE A 69 -3.701 6.943 -0.625 1.00 0.00 C ATOM 1124 CD2 PHE A 69 -2.612 5.140 -1.739 1.00 0.00 C ATOM 1125 CE1 PHE A 69 -2.478 7.536 -0.381 1.00 0.00 C ATOM 1126 CE2 PHE A 69 -1.386 5.727 -1.499 1.00 0.00 C ATOM 1127 CZ PHE A 69 -1.317 6.926 -0.818 1.00 0.00 C ATOM 0 H PHE A 69 -4.993 2.327 -0.700 1.00 0.00 H new ATOM 0 HA PHE A 69 -5.566 4.936 0.534 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -5.034 4.440 -2.416 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -5.840 5.869 -1.801 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -4.605 7.422 -0.281 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -2.660 4.201 -2.271 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -2.429 8.475 0.150 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -0.481 5.249 -1.844 1.00 0.00 H new ATOM 0 HZ PHE A 69 -0.359 7.386 -0.627 1.00 0.00 H new ATOM 1137 N ALA A 70 -7.981 4.701 -0.104 1.00 0.00 N ATOM 1138 CA ALA A 70 -9.404 4.392 -0.207 1.00 0.00 C ATOM 1139 C ALA A 70 -9.996 4.783 -1.561 1.00 0.00 C ATOM 1140 O ALA A 70 -9.717 5.864 -2.080 1.00 0.00 O ATOM 1141 CB ALA A 70 -10.170 5.079 0.913 1.00 0.00 C ATOM 0 H ALA A 70 -7.775 5.594 0.343 1.00 0.00 H new ATOM 0 HA ALA A 70 -9.503 3.310 -0.114 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -11.230 4.842 0.827 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -9.797 4.730 1.876 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -10.032 6.158 0.840 1.00 0.00 H new ATOM 1147 N PRO A 71 -10.850 3.905 -2.134 1.00 0.00 N ATOM 1148 CA PRO A 71 -11.522 4.144 -3.414 1.00 0.00 C ATOM 1149 C PRO A 71 -11.879 5.612 -3.611 1.00 0.00 C ATOM 1150 O PRO A 71 -11.804 6.147 -4.717 1.00 0.00 O ATOM 1151 CB PRO A 71 -12.789 3.307 -3.264 1.00 0.00 C ATOM 1152 CG PRO A 71 -12.363 2.128 -2.457 1.00 0.00 C ATOM 1153 CD PRO A 71 -11.251 2.607 -1.553 1.00 0.00 C ATOM 0 HA PRO A 71 -10.903 3.887 -4.274 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -13.578 3.867 -2.762 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -13.181 3.003 -4.234 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -13.196 1.736 -1.873 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -12.018 1.320 -3.102 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -11.594 2.719 -0.524 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -10.419 1.903 -1.537 1.00 0.00 H new ATOM 1161 N ASP A 72 -12.266 6.251 -2.514 1.00 0.00 N ATOM 1162 CA ASP A 72 -12.636 7.658 -2.524 1.00 0.00 C ATOM 1163 C ASP A 72 -12.711 8.191 -1.097 1.00 0.00 C ATOM 1164 O ASP A 72 -13.503 9.085 -0.798 1.00 0.00 O ATOM 1165 CB ASP A 72 -13.980 7.851 -3.228 1.00 0.00 C ATOM 1166 CG ASP A 72 -15.090 7.040 -2.588 1.00 0.00 C ATOM 1167 OD1 ASP A 72 -15.709 7.536 -1.624 1.00 0.00 O ATOM 1168 OD2 ASP A 72 -15.339 5.906 -3.052 1.00 0.00 O ATOM 0 H ASP A 72 -12.332 5.810 -1.597 1.00 0.00 H new ATOM 0 HA ASP A 72 -11.874 8.214 -3.070 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -14.248 8.907 -3.209 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -13.883 7.565 -4.275 1.00 0.00 H new ATOM 1173 N GLY A 73 -11.884 7.626 -0.219 1.00 0.00 N ATOM 1174 CA GLY A 73 -11.867 8.049 1.172 1.00 0.00 C ATOM 1175 C GLY A 73 -10.504 8.541 1.619 1.00 0.00 C ATOM 1176 O GLY A 73 -10.246 8.665 2.816 1.00 0.00 O ATOM 0 H GLY A 73 -11.225 6.882 -0.447 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -12.600 8.843 1.315 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -12.173 7.216 1.804 1.00 0.00 H new ATOM 1180 N SER A 74 -9.631 8.832 0.656 1.00 0.00 N ATOM 1181 CA SER A 74 -8.288 9.320 0.956 1.00 0.00 C ATOM 1182 C SER A 74 -7.399 8.206 1.497 1.00 0.00 C ATOM 1183 O SER A 74 -7.828 7.060 1.636 1.00 0.00 O ATOM 1184 CB SER A 74 -8.346 10.480 1.958 1.00 0.00 C ATOM 1185 OG SER A 74 -8.233 10.015 3.292 1.00 0.00 O ATOM 0 H SER A 74 -9.831 8.738 -0.340 1.00 0.00 H new ATOM 0 HA SER A 74 -7.853 9.679 0.023 1.00 0.00 H new ATOM 0 HB2 SER A 74 -7.542 11.186 1.747 1.00 0.00 H new ATOM 0 HB3 SER A 74 -9.285 11.021 1.837 1.00 0.00 H new ATOM 0 HG SER A 74 -8.793 9.220 3.410 1.00 0.00 H new ATOM 1191 N HIS A 75 -6.155 8.559 1.797 1.00 0.00 N ATOM 1192 CA HIS A 75 -5.177 7.613 2.322 1.00 0.00 C ATOM 1193 C HIS A 75 -5.716 6.870 3.541 1.00 0.00 C ATOM 1194 O HIS A 75 -6.145 7.485 4.517 1.00 0.00 O ATOM 1195 CB HIS A 75 -3.894 8.363 2.686 1.00 0.00 C ATOM 1196 CG HIS A 75 -2.837 7.501 3.302 1.00 0.00 C ATOM 1197 ND1 HIS A 75 -2.327 7.700 4.564 1.00 0.00 N ATOM 1198 CD2 HIS A 75 -2.183 6.425 2.797 1.00 0.00 C ATOM 1199 CE1 HIS A 75 -1.397 6.760 4.783 1.00 0.00 C ATOM 1200 NE2 HIS A 75 -1.272 5.962 3.741 1.00 0.00 N ATOM 0 H HIS A 75 -5.796 9.507 1.684 1.00 0.00 H new ATOM 0 HA HIS A 75 -4.966 6.871 1.552 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -3.490 8.828 1.787 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -4.140 9.168 3.378 1.00 0.00 H new ATOM 0 HD1 HIS A 75 -2.607 8.432 5.217 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -2.344 5.996 1.819 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -0.825 6.668 5.694 1.00 0.00 H new ATOM 1208 N ILE A 76 -5.680 5.542 3.478 1.00 0.00 N ATOM 1209 CA ILE A 76 -6.154 4.708 4.577 1.00 0.00 C ATOM 1210 C ILE A 76 -4.999 4.312 5.488 1.00 0.00 C ATOM 1211 O ILE A 76 -5.093 4.416 6.711 1.00 0.00 O ATOM 1212 CB ILE A 76 -6.836 3.425 4.066 1.00 0.00 C ATOM 1213 CG1 ILE A 76 -7.924 3.758 3.047 1.00 0.00 C ATOM 1214 CG2 ILE A 76 -7.417 2.633 5.228 1.00 0.00 C ATOM 1215 CD1 ILE A 76 -8.294 2.587 2.162 1.00 0.00 C ATOM 0 H ILE A 76 -5.327 5.020 2.676 1.00 0.00 H new ATOM 0 HA ILE A 76 -6.882 5.301 5.131 1.00 0.00 H new ATOM 0 HB ILE A 76 -6.083 2.812 3.571 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -8.814 4.101 3.575 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -7.586 4.584 2.422 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -7.895 1.730 4.850 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -6.618 2.359 5.917 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -8.154 3.242 5.751 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -9.072 2.892 1.462 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -7.415 2.258 1.608 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -8.662 1.767 2.779 1.00 0.00 H new ATOM 1227 N GLY A 77 -3.914 3.847 4.879 1.00 0.00 N ATOM 1228 CA GLY A 77 -2.756 3.434 5.648 1.00 0.00 C ATOM 1229 C GLY A 77 -2.160 2.133 5.152 1.00 0.00 C ATOM 1230 O GLY A 77 -2.260 1.802 3.971 1.00 0.00 O ATOM 0 H GLY A 77 -3.816 3.749 3.868 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -1.998 4.216 5.605 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -3.040 3.323 6.694 1.00 0.00 H new ATOM 1234 N GLY A 78 -1.532 1.401 6.063 1.00 0.00 N ATOM 1235 CA GLY A 78 -0.914 0.133 5.709 1.00 0.00 C ATOM 1236 C GLY A 78 -1.820 -1.054 5.983 1.00 0.00 C ATOM 1237 O GLY A 78 -3.037 -0.961 5.827 1.00 0.00 O ATOM 0 H GLY A 78 -1.438 1.662 7.045 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -0.647 0.145 4.652 1.00 0.00 H new ATOM 0 HA3 GLY A 78 0.013 0.015 6.270 1.00 0.00 H new ATOM 1241 N PHE A 79 -1.226 -2.174 6.392 1.00 0.00 N ATOM 1242 CA PHE A 79 -1.991 -3.383 6.686 1.00 0.00 C ATOM 1243 C PHE A 79 -2.809 -3.209 7.963 1.00 0.00 C ATOM 1244 O PHE A 79 -4.035 -3.111 7.917 1.00 0.00 O ATOM 1245 CB PHE A 79 -1.051 -4.589 6.816 1.00 0.00 C ATOM 1246 CG PHE A 79 -1.696 -5.803 7.430 1.00 0.00 C ATOM 1247 CD1 PHE A 79 -2.898 -6.294 6.940 1.00 0.00 C ATOM 1248 CD2 PHE A 79 -1.102 -6.447 8.505 1.00 0.00 C ATOM 1249 CE1 PHE A 79 -3.493 -7.404 7.511 1.00 0.00 C ATOM 1250 CE2 PHE A 79 -1.692 -7.558 9.078 1.00 0.00 C ATOM 1251 CZ PHE A 79 -2.888 -8.037 8.581 1.00 0.00 C ATOM 0 H PHE A 79 -0.219 -2.269 6.527 1.00 0.00 H new ATOM 0 HA PHE A 79 -2.680 -3.562 5.860 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -0.674 -4.851 5.828 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -0.190 -4.303 7.420 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -3.374 -5.804 6.104 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -0.167 -6.076 8.899 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -4.429 -7.776 7.122 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -1.218 -8.051 9.914 1.00 0.00 H new ATOM 0 HZ PHE A 79 -3.350 -8.905 9.028 1.00 0.00 H new ATOM 1261 N ASP A 80 -2.125 -3.171 9.103 1.00 0.00 N ATOM 1262 CA ASP A 80 -2.794 -3.007 10.389 1.00 0.00 C ATOM 1263 C ASP A 80 -3.583 -1.704 10.417 1.00 0.00 C ATOM 1264 O ASP A 80 -4.748 -1.677 10.817 1.00 0.00 O ATOM 1265 CB ASP A 80 -1.776 -3.027 11.530 1.00 0.00 C ATOM 1266 CG ASP A 80 -2.438 -3.090 12.893 1.00 0.00 C ATOM 1267 OD1 ASP A 80 -3.582 -2.605 13.020 1.00 0.00 O ATOM 1268 OD2 ASP A 80 -1.811 -3.623 13.833 1.00 0.00 O ATOM 0 H ASP A 80 -1.110 -3.251 9.162 1.00 0.00 H new ATOM 0 HA ASP A 80 -3.485 -3.839 10.522 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -1.116 -3.886 11.409 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -1.152 -2.135 11.473 1.00 0.00 H new ATOM 1273 N GLN A 81 -2.940 -0.624 9.982 1.00 0.00 N ATOM 1274 CA GLN A 81 -3.581 0.684 9.947 1.00 0.00 C ATOM 1275 C GLN A 81 -4.905 0.603 9.197 1.00 0.00 C ATOM 1276 O GLN A 81 -5.903 1.195 9.609 1.00 0.00 O ATOM 1277 CB GLN A 81 -2.661 1.709 9.280 1.00 0.00 C ATOM 1278 CG GLN A 81 -2.100 2.739 10.245 1.00 0.00 C ATOM 1279 CD GLN A 81 -1.833 4.076 9.581 1.00 0.00 C ATOM 1280 OE1 GLN A 81 -2.382 5.102 9.982 1.00 0.00 O ATOM 1281 NE2 GLN A 81 -0.986 4.070 8.559 1.00 0.00 N ATOM 0 H GLN A 81 -1.976 -0.630 9.649 1.00 0.00 H new ATOM 0 HA GLN A 81 -3.776 1.002 10.971 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -1.835 1.185 8.800 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -3.213 2.223 8.493 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -2.801 2.880 11.068 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -1.173 2.360 10.676 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -0.554 3.196 8.260 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -0.768 4.940 8.073 1.00 0.00 H new ATOM 1290 N LEU A 82 -4.905 -0.142 8.098 1.00 0.00 N ATOM 1291 CA LEU A 82 -6.105 -0.311 7.294 1.00 0.00 C ATOM 1292 C LEU A 82 -7.074 -1.282 7.955 1.00 0.00 C ATOM 1293 O LEU A 82 -8.286 -1.095 7.887 1.00 0.00 O ATOM 1294 CB LEU A 82 -5.759 -0.787 5.894 1.00 0.00 C ATOM 1295 CG LEU A 82 -6.979 -1.114 5.047 1.00 0.00 C ATOM 1296 CD1 LEU A 82 -6.813 -0.603 3.634 1.00 0.00 C ATOM 1297 CD2 LEU A 82 -7.226 -2.603 5.074 1.00 0.00 C ATOM 0 H LEU A 82 -4.087 -0.638 7.745 1.00 0.00 H new ATOM 0 HA LEU A 82 -6.591 0.662 7.218 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -5.173 -0.018 5.391 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -5.128 -1.673 5.965 1.00 0.00 H new ATOM 0 HG LEU A 82 -7.850 -0.610 5.466 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -7.700 -0.851 3.051 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -6.681 0.479 3.652 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -5.938 -1.068 3.179 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -8.100 -2.838 4.467 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -6.356 -3.123 4.674 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -7.400 -2.924 6.101 1.00 0.00 H new ATOM 1309 N ARG A 83 -6.544 -2.307 8.619 1.00 0.00 N ATOM 1310 CA ARG A 83 -7.393 -3.275 9.308 1.00 0.00 C ATOM 1311 C ARG A 83 -8.371 -2.535 10.213 1.00 0.00 C ATOM 1312 O ARG A 83 -9.477 -3.004 10.467 1.00 0.00 O ATOM 1313 CB ARG A 83 -6.541 -4.251 10.125 1.00 0.00 C ATOM 1314 CG ARG A 83 -6.756 -5.709 9.751 1.00 0.00 C ATOM 1315 CD ARG A 83 -7.311 -6.512 10.916 1.00 0.00 C ATOM 1316 NE ARG A 83 -6.722 -7.846 10.996 1.00 0.00 N ATOM 1317 CZ ARG A 83 -5.551 -8.107 11.572 1.00 0.00 C ATOM 1318 NH1 ARG A 83 -4.834 -7.129 12.111 1.00 0.00 N ATOM 1319 NH2 ARG A 83 -5.095 -9.352 11.610 1.00 0.00 N ATOM 0 H ARG A 83 -5.543 -2.487 8.694 1.00 0.00 H new ATOM 0 HA ARG A 83 -7.952 -3.851 8.570 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -5.488 -4.002 9.990 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -6.767 -4.119 11.183 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -7.443 -5.771 8.907 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -5.811 -6.145 9.426 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -7.122 -5.977 11.847 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -8.393 -6.600 10.812 1.00 0.00 H new ATOM 0 HE ARG A 83 -7.239 -8.624 10.586 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -5.180 -6.170 12.086 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -3.937 -7.337 12.551 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -5.642 -10.108 11.198 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -4.198 -9.553 12.051 1.00 0.00 H new ATOM 1333 N GLU A 84 -7.958 -1.355 10.672 1.00 0.00 N ATOM 1334 CA GLU A 84 -8.806 -0.529 11.516 1.00 0.00 C ATOM 1335 C GLU A 84 -9.928 0.068 10.675 1.00 0.00 C ATOM 1336 O GLU A 84 -11.052 0.239 11.147 1.00 0.00 O ATOM 1337 CB GLU A 84 -7.990 0.582 12.179 1.00 0.00 C ATOM 1338 CG GLU A 84 -7.426 0.195 13.537 1.00 0.00 C ATOM 1339 CD GLU A 84 -7.095 1.399 14.397 1.00 0.00 C ATOM 1340 OE1 GLU A 84 -7.893 2.360 14.404 1.00 0.00 O ATOM 1341 OE2 GLU A 84 -6.039 1.381 15.063 1.00 0.00 O ATOM 0 H GLU A 84 -7.042 -0.954 10.472 1.00 0.00 H new ATOM 0 HA GLU A 84 -9.235 -1.149 12.304 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -7.168 0.861 11.520 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -8.619 1.464 12.294 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -8.147 -0.433 14.060 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -6.526 -0.404 13.395 1.00 0.00 H new ATOM 1348 N TYR A 85 -9.614 0.358 9.413 1.00 0.00 N ATOM 1349 CA TYR A 85 -10.590 0.904 8.484 1.00 0.00 C ATOM 1350 C TYR A 85 -11.677 -0.133 8.224 1.00 0.00 C ATOM 1351 O TYR A 85 -12.843 0.203 8.022 1.00 0.00 O ATOM 1352 CB TYR A 85 -9.890 1.281 7.175 1.00 0.00 C ATOM 1353 CG TYR A 85 -10.749 2.060 6.206 1.00 0.00 C ATOM 1354 CD1 TYR A 85 -11.854 1.478 5.598 1.00 0.00 C ATOM 1355 CD2 TYR A 85 -10.443 3.377 5.889 1.00 0.00 C ATOM 1356 CE1 TYR A 85 -12.629 2.187 4.702 1.00 0.00 C ATOM 1357 CE2 TYR A 85 -11.214 4.094 4.995 1.00 0.00 C ATOM 1358 CZ TYR A 85 -12.306 3.494 4.403 1.00 0.00 C ATOM 1359 OH TYR A 85 -13.076 4.204 3.511 1.00 0.00 O ATOM 0 H TYR A 85 -8.685 0.221 9.014 1.00 0.00 H new ATOM 0 HA TYR A 85 -11.048 1.797 8.910 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -9.003 1.870 7.409 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -9.548 0.369 6.685 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -12.111 0.455 5.830 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -9.587 3.849 6.349 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -13.485 1.720 4.237 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -10.963 5.118 4.761 1.00 0.00 H new ATOM 0 HH TYR A 85 -12.713 5.109 3.413 1.00 0.00 H new ATOM 1369 N PHE A 86 -11.271 -1.401 8.250 1.00 0.00 N ATOM 1370 CA PHE A 86 -12.179 -2.523 8.028 1.00 0.00 C ATOM 1371 C PHE A 86 -12.699 -3.092 9.346 1.00 0.00 C ATOM 1372 O PHE A 86 -13.875 -2.943 9.675 1.00 0.00 O ATOM 1373 CB PHE A 86 -11.457 -3.612 7.229 1.00 0.00 C ATOM 1374 CG PHE A 86 -11.475 -3.363 5.749 1.00 0.00 C ATOM 1375 CD1 PHE A 86 -12.668 -3.100 5.094 1.00 0.00 C ATOM 1376 CD2 PHE A 86 -10.303 -3.374 5.015 1.00 0.00 C ATOM 1377 CE1 PHE A 86 -12.690 -2.850 3.737 1.00 0.00 C ATOM 1378 CE2 PHE A 86 -10.318 -3.129 3.655 1.00 0.00 C ATOM 1379 CZ PHE A 86 -11.512 -2.866 3.017 1.00 0.00 C ATOM 0 H PHE A 86 -10.305 -1.678 8.425 1.00 0.00 H new ATOM 0 HA PHE A 86 -13.039 -2.163 7.464 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -10.423 -3.679 7.568 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -11.923 -4.576 7.435 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -13.592 -3.091 5.653 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -9.365 -3.576 5.510 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -13.626 -2.642 3.240 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -9.396 -3.143 3.093 1.00 0.00 H new ATOM 0 HZ PHE A 86 -11.526 -2.673 1.955 1.00 0.00 H new ATOM 1389 N LYS A 87 -11.816 -3.746 10.093 1.00 0.00 N ATOM 1390 CA LYS A 87 -12.185 -4.339 11.375 1.00 0.00 C ATOM 1391 C LYS A 87 -11.043 -4.214 12.379 1.00 0.00 C ATOM 1392 O LYS A 87 -11.009 -3.202 13.111 1.00 0.00 O ATOM 1393 CB LYS A 87 -12.554 -5.812 11.189 1.00 0.00 C ATOM 1394 CG LYS A 87 -11.561 -6.584 10.335 1.00 0.00 C ATOM 1395 CD LYS A 87 -11.389 -8.010 10.829 1.00 0.00 C ATOM 1396 CE LYS A 87 -10.196 -8.687 10.174 1.00 0.00 C ATOM 1397 NZ LYS A 87 -10.600 -9.527 9.013 1.00 0.00 N ATOM 1398 OXT LYS A 87 -10.195 -5.127 12.425 1.00 0.00 O ATOM 0 H LYS A 87 -10.839 -3.879 9.833 1.00 0.00 H new ATOM 0 HA LYS A 87 -13.049 -3.799 11.763 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -12.625 -6.287 12.168 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -13.541 -5.876 10.731 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -11.902 -6.596 9.300 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -10.597 -6.075 10.347 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -11.258 -8.008 11.911 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -12.293 -8.581 10.618 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -9.485 -7.929 9.844 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -9.682 -9.307 10.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -9.757 -9.970 8.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -11.258 -10.266 9.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -11.067 -8.932 8.300 1.00 0.00 H new TER 1412 LYS A 87