USER MOD reduce.3.24.130724 H: found=0, std=0, add=671, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 670 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 168:sc= -0.815 (180deg=-1.49!) USER MOD Single : A 7 THR OG1 : rot 180:sc= -0.0927 USER MOD Single : A 9 LYS NZ :NH3+ -163:sc= -0.0206 (180deg=-0.216) USER MOD Single : A 11 MET CE :methyl 178:sc= -1.78 (180deg=-1.82) USER MOD Single : A 14 SER OG : rot 180:sc= 0.145 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -5.31! C(o=-5.3!,f=-12!) USER MOD Single : A 34 THR OG1 : rot -111:sc= -2.69! USER MOD Single : A 37 HIS : no HD1:sc= -4.76! C(o=-4.8!,f=-8.5!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -7.29! C(o=-7.3!,f=-5.2!) USER MOD Single : A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 150:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot -110:sc= -0.611 USER MOD Single : A 79 ASN : amide:sc= -3.52! K(o=-3.5!,f=-0.11) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 MET CE :methyl -156:sc= -0.394 (180deg=-0.941) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 10.387 15.144 5.676 1.00 0.00 N ATOM 2 CA MET A 1 10.777 16.024 6.809 1.00 0.00 C ATOM 3 C MET A 1 9.675 17.026 7.141 1.00 0.00 C ATOM 4 O MET A 1 9.830 17.862 8.032 1.00 0.00 O ATOM 5 CB MET A 1 12.066 16.758 6.434 1.00 0.00 C ATOM 6 CG MET A 1 12.112 17.203 4.980 1.00 0.00 C ATOM 7 SD MET A 1 13.778 17.619 4.431 1.00 0.00 S ATOM 8 CE MET A 1 13.800 16.849 2.813 1.00 0.00 C ATOM 0 H1 MET A 1 11.220 14.618 5.343 1.00 0.00 H new ATOM 0 H2 MET A 1 9.658 14.474 5.992 1.00 0.00 H new ATOM 0 H3 MET A 1 10.010 15.724 4.899 1.00 0.00 H new ATOM 0 HA MET A 1 10.937 15.412 7.697 1.00 0.00 H new ATOM 0 HB2 MET A 1 12.177 17.632 7.076 1.00 0.00 H new ATOM 0 HB3 MET A 1 12.917 16.106 6.633 1.00 0.00 H new ATOM 0 HG2 MET A 1 11.714 16.409 4.349 1.00 0.00 H new ATOM 0 HG3 MET A 1 11.464 18.070 4.849 1.00 0.00 H new ATOM 0 HE1 MET A 1 14.769 17.018 2.343 1.00 0.00 H new ATOM 0 HE2 MET A 1 13.630 15.778 2.918 1.00 0.00 H new ATOM 0 HE3 MET A 1 13.015 17.282 2.193 1.00 0.00 H new ATOM 20 N GLY A 2 8.568 16.938 6.413 1.00 0.00 N ATOM 21 CA GLY A 2 7.448 17.835 6.641 1.00 0.00 C ATOM 22 C GLY A 2 6.188 17.344 5.958 1.00 0.00 C ATOM 23 O GLY A 2 5.123 17.949 6.081 1.00 0.00 O ATOM 0 H GLY A 2 8.425 16.259 5.666 1.00 0.00 H new ATOM 0 HA2 GLY A 2 7.269 17.928 7.712 1.00 0.00 H new ATOM 0 HA3 GLY A 2 7.698 18.830 6.272 1.00 0.00 H new ATOM 27 N ASP A 3 6.335 16.278 5.178 1.00 0.00 N ATOM 28 CA ASP A 3 5.211 15.680 4.466 1.00 0.00 C ATOM 29 C ASP A 3 4.601 14.534 5.260 1.00 0.00 C ATOM 30 O ASP A 3 5.248 13.950 6.130 1.00 0.00 O ATOM 31 CB ASP A 3 5.655 15.175 3.092 1.00 0.00 C ATOM 32 CG ASP A 3 5.752 16.289 2.070 1.00 0.00 C ATOM 33 OD1 ASP A 3 6.517 17.247 2.306 1.00 0.00 O ATOM 34 OD2 ASP A 3 5.058 16.205 1.034 1.00 0.00 O ATOM 0 H ASP A 3 7.227 15.808 5.022 1.00 0.00 H new ATOM 0 HA ASP A 3 4.453 16.453 4.338 1.00 0.00 H new ATOM 0 HB2 ASP A 3 6.624 14.685 3.184 1.00 0.00 H new ATOM 0 HB3 ASP A 3 4.950 14.423 2.739 1.00 0.00 H new ATOM 39 N VAL A 4 3.359 14.197 4.936 1.00 0.00 N ATOM 40 CA VAL A 4 2.677 13.088 5.583 1.00 0.00 C ATOM 41 C VAL A 4 2.743 11.840 4.698 1.00 0.00 C ATOM 42 O VAL A 4 2.241 11.832 3.574 1.00 0.00 O ATOM 43 CB VAL A 4 1.212 13.458 5.915 1.00 0.00 C ATOM 44 CG1 VAL A 4 0.243 12.341 5.561 1.00 0.00 C ATOM 45 CG2 VAL A 4 1.083 13.831 7.383 1.00 0.00 C ATOM 0 H VAL A 4 2.804 14.678 4.228 1.00 0.00 H new ATOM 0 HA VAL A 4 3.183 12.870 6.524 1.00 0.00 H new ATOM 0 HB VAL A 4 0.946 14.319 5.302 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -0.773 12.647 5.812 1.00 0.00 H new ATOM 0 HG12 VAL A 4 0.305 12.130 4.493 1.00 0.00 H new ATOM 0 HG13 VAL A 4 0.501 11.444 6.123 1.00 0.00 H new ATOM 0 HG21 VAL A 4 0.047 14.089 7.603 1.00 0.00 H new ATOM 0 HG22 VAL A 4 1.386 12.986 8.001 1.00 0.00 H new ATOM 0 HG23 VAL A 4 1.724 14.686 7.599 1.00 0.00 H new ATOM 55 N VAL A 5 3.404 10.802 5.191 1.00 0.00 N ATOM 56 CA VAL A 5 3.552 9.566 4.431 1.00 0.00 C ATOM 57 C VAL A 5 2.641 8.472 4.980 1.00 0.00 C ATOM 58 O VAL A 5 2.760 8.081 6.137 1.00 0.00 O ATOM 59 CB VAL A 5 5.016 9.069 4.448 1.00 0.00 C ATOM 60 CG1 VAL A 5 5.093 7.572 4.172 1.00 0.00 C ATOM 61 CG2 VAL A 5 5.850 9.843 3.440 1.00 0.00 C ATOM 0 H VAL A 5 3.845 10.790 6.110 1.00 0.00 H new ATOM 0 HA VAL A 5 3.266 9.786 3.403 1.00 0.00 H new ATOM 0 HB VAL A 5 5.421 9.246 5.444 1.00 0.00 H new ATOM 0 HG11 VAL A 5 6.135 7.252 4.190 1.00 0.00 H new ATOM 0 HG12 VAL A 5 4.534 7.032 4.936 1.00 0.00 H new ATOM 0 HG13 VAL A 5 4.666 7.360 3.192 1.00 0.00 H new ATOM 0 HG21 VAL A 5 6.878 9.481 3.464 1.00 0.00 H new ATOM 0 HG22 VAL A 5 5.438 9.700 2.441 1.00 0.00 H new ATOM 0 HG23 VAL A 5 5.832 10.904 3.691 1.00 0.00 H new ATOM 71 N ALA A 6 1.745 7.968 4.138 1.00 0.00 N ATOM 72 CA ALA A 6 0.858 6.881 4.536 1.00 0.00 C ATOM 73 C ALA A 6 1.469 5.549 4.127 1.00 0.00 C ATOM 74 O ALA A 6 2.314 5.507 3.237 1.00 0.00 O ATOM 75 CB ALA A 6 -0.520 7.058 3.913 1.00 0.00 C ATOM 0 H ALA A 6 1.614 8.293 3.180 1.00 0.00 H new ATOM 0 HA ALA A 6 0.739 6.897 5.619 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -1.167 6.237 4.222 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -0.950 8.003 4.244 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -0.431 7.060 2.827 1.00 0.00 H new ATOM 81 N THR A 7 1.070 4.465 4.785 1.00 0.00 N ATOM 82 CA THR A 7 1.626 3.156 4.463 1.00 0.00 C ATOM 83 C THR A 7 0.554 2.068 4.446 1.00 0.00 C ATOM 84 O THR A 7 -0.178 1.859 5.425 1.00 0.00 O ATOM 85 CB THR A 7 2.744 2.793 5.435 1.00 0.00 C ATOM 86 OG1 THR A 7 3.581 3.912 5.674 1.00 0.00 O ATOM 87 CG2 THR A 7 3.618 1.661 4.939 1.00 0.00 C ATOM 0 H THR A 7 0.376 4.465 5.532 1.00 0.00 H new ATOM 0 HA THR A 7 2.042 3.218 3.457 1.00 0.00 H new ATOM 0 HB THR A 7 2.245 2.472 6.349 1.00 0.00 H new ATOM 0 HG1 THR A 7 4.291 3.661 6.301 1.00 0.00 H new ATOM 0 HG21 THR A 7 4.394 1.451 5.675 1.00 0.00 H new ATOM 0 HG22 THR A 7 3.009 0.770 4.789 1.00 0.00 H new ATOM 0 HG23 THR A 7 4.082 1.946 3.995 1.00 0.00 H new ATOM 95 N ILE A 8 0.501 1.367 3.316 1.00 0.00 N ATOM 96 CA ILE A 8 -0.480 0.320 3.073 1.00 0.00 C ATOM 97 C ILE A 8 0.209 -1.026 2.803 1.00 0.00 C ATOM 98 O ILE A 8 0.844 -1.204 1.765 1.00 0.00 O ATOM 99 CB ILE A 8 -1.346 0.704 1.856 1.00 0.00 C ATOM 100 CG1 ILE A 8 -1.810 2.163 1.964 1.00 0.00 C ATOM 101 CG2 ILE A 8 -2.527 -0.229 1.721 1.00 0.00 C ATOM 102 CD1 ILE A 8 -2.941 2.386 2.948 1.00 0.00 C ATOM 0 H ILE A 8 1.145 1.513 2.538 1.00 0.00 H new ATOM 0 HA ILE A 8 -1.104 0.217 3.961 1.00 0.00 H new ATOM 0 HB ILE A 8 -0.737 0.606 0.958 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -0.962 2.781 2.257 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -2.128 2.505 0.979 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -3.123 0.061 0.856 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -2.170 -1.251 1.589 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -3.141 -0.172 2.620 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -3.207 3.443 2.963 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -3.807 1.798 2.646 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -2.623 2.078 3.944 1.00 0.00 H new ATOM 114 N LYS A 9 0.122 -1.953 3.761 1.00 0.00 N ATOM 115 CA LYS A 9 0.777 -3.261 3.633 1.00 0.00 C ATOM 116 C LYS A 9 -0.175 -4.335 3.115 1.00 0.00 C ATOM 117 O LYS A 9 -0.883 -4.974 3.888 1.00 0.00 O ATOM 118 CB LYS A 9 1.351 -3.704 4.975 1.00 0.00 C ATOM 119 CG LYS A 9 1.495 -2.581 5.990 1.00 0.00 C ATOM 120 CD LYS A 9 2.947 -2.229 6.236 1.00 0.00 C ATOM 121 CE LYS A 9 3.627 -3.255 7.128 1.00 0.00 C ATOM 122 NZ LYS A 9 3.126 -3.193 8.528 1.00 0.00 N ATOM 0 H LYS A 9 -0.393 -1.824 4.632 1.00 0.00 H new ATOM 0 HA LYS A 9 1.580 -3.141 2.906 1.00 0.00 H new ATOM 0 HB2 LYS A 9 0.709 -4.478 5.395 1.00 0.00 H new ATOM 0 HB3 LYS A 9 2.329 -4.156 4.808 1.00 0.00 H new ATOM 0 HG2 LYS A 9 0.962 -1.699 5.634 1.00 0.00 H new ATOM 0 HG3 LYS A 9 1.029 -2.878 6.929 1.00 0.00 H new ATOM 0 HD2 LYS A 9 3.474 -2.168 5.284 1.00 0.00 H new ATOM 0 HD3 LYS A 9 3.010 -1.244 6.699 1.00 0.00 H new ATOM 0 HE2 LYS A 9 3.458 -4.254 6.726 1.00 0.00 H new ATOM 0 HE3 LYS A 9 4.704 -3.086 7.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 3.792 -3.685 9.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 3.041 -2.199 8.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 2.194 -3.651 8.584 1.00 0.00 H new ATOM 136 N VAL A 10 -0.150 -4.564 1.813 1.00 0.00 N ATOM 137 CA VAL A 10 -1.045 -5.541 1.188 1.00 0.00 C ATOM 138 C VAL A 10 -0.394 -6.923 1.084 1.00 0.00 C ATOM 139 O VAL A 10 0.773 -7.044 0.719 1.00 0.00 O ATOM 140 CB VAL A 10 -1.509 -5.060 -0.214 1.00 0.00 C ATOM 141 CG1 VAL A 10 -1.325 -3.554 -0.348 1.00 0.00 C ATOM 142 CG2 VAL A 10 -0.781 -5.787 -1.336 1.00 0.00 C ATOM 0 H VAL A 10 0.477 -4.090 1.163 1.00 0.00 H new ATOM 0 HA VAL A 10 -1.919 -5.629 1.833 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.569 -5.298 -0.306 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -1.655 -3.234 -1.336 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.916 -3.046 0.414 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -0.272 -3.303 -0.218 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -1.137 -5.419 -2.299 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.291 -5.606 -1.252 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -0.975 -6.857 -1.262 1.00 0.00 H new ATOM 152 N MET A 11 -1.158 -7.965 1.420 1.00 0.00 N ATOM 153 CA MET A 11 -0.651 -9.334 1.352 1.00 0.00 C ATOM 154 C MET A 11 -1.757 -10.321 0.947 1.00 0.00 C ATOM 155 O MET A 11 -2.831 -10.356 1.555 1.00 0.00 O ATOM 156 CB MET A 11 -0.016 -9.742 2.692 1.00 0.00 C ATOM 157 CG MET A 11 -0.976 -10.385 3.684 1.00 0.00 C ATOM 158 SD MET A 11 -0.214 -11.721 4.624 1.00 0.00 S ATOM 159 CE MET A 11 -0.502 -13.112 3.534 1.00 0.00 C ATOM 0 H MET A 11 -2.123 -7.886 1.740 1.00 0.00 H new ATOM 0 HA MET A 11 0.119 -9.368 0.581 1.00 0.00 H new ATOM 0 HB2 MET A 11 0.800 -10.437 2.495 1.00 0.00 H new ATOM 0 HB3 MET A 11 0.423 -8.858 3.154 1.00 0.00 H new ATOM 0 HG2 MET A 11 -1.343 -9.625 4.373 1.00 0.00 H new ATOM 0 HG3 MET A 11 -1.842 -10.772 3.147 1.00 0.00 H new ATOM 0 HE1 MET A 11 -0.055 -14.009 3.963 1.00 0.00 H new ATOM 0 HE2 MET A 11 -1.575 -13.263 3.413 1.00 0.00 H new ATOM 0 HE3 MET A 11 -0.052 -12.912 2.562 1.00 0.00 H new ATOM 169 N PRO A 12 -1.505 -11.134 -0.101 1.00 0.00 N ATOM 170 CA PRO A 12 -2.464 -12.126 -0.598 1.00 0.00 C ATOM 171 C PRO A 12 -2.583 -13.327 0.334 1.00 0.00 C ATOM 172 O PRO A 12 -1.599 -14.014 0.607 1.00 0.00 O ATOM 173 CB PRO A 12 -1.882 -12.557 -1.957 1.00 0.00 C ATOM 174 CG PRO A 12 -0.767 -11.603 -2.233 1.00 0.00 C ATOM 175 CD PRO A 12 -0.274 -11.147 -0.893 1.00 0.00 C ATOM 0 HA PRO A 12 -3.470 -11.713 -0.669 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -1.520 -13.584 -1.921 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -2.639 -12.513 -2.740 1.00 0.00 H new ATOM 0 HG2 PRO A 12 0.030 -12.087 -2.798 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -1.114 -10.759 -2.829 1.00 0.00 H new ATOM 0 HD2 PRO A 12 0.470 -11.828 -0.479 1.00 0.00 H new ATOM 0 HD3 PRO A 12 0.189 -10.161 -0.943 1.00 0.00 H new ATOM 183 N GLU A 13 -3.792 -13.558 0.837 1.00 0.00 N ATOM 184 CA GLU A 13 -4.047 -14.668 1.748 1.00 0.00 C ATOM 185 C GLU A 13 -3.646 -16.000 1.124 1.00 0.00 C ATOM 186 O GLU A 13 -3.250 -16.931 1.827 1.00 0.00 O ATOM 187 CB GLU A 13 -5.525 -14.703 2.143 1.00 0.00 C ATOM 188 CG GLU A 13 -5.781 -14.295 3.584 1.00 0.00 C ATOM 189 CD GLU A 13 -5.530 -15.423 4.566 1.00 0.00 C ATOM 190 OE1 GLU A 13 -5.484 -16.593 4.128 1.00 0.00 O ATOM 191 OE2 GLU A 13 -5.380 -15.138 5.772 1.00 0.00 O ATOM 0 H GLU A 13 -4.612 -12.989 0.628 1.00 0.00 H new ATOM 0 HA GLU A 13 -3.440 -14.512 2.640 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -6.085 -14.041 1.482 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -5.910 -15.710 1.986 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -5.141 -13.450 3.837 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -6.812 -13.955 3.683 1.00 0.00 H new ATOM 198 N SER A 14 -3.783 -16.096 -0.194 1.00 0.00 N ATOM 199 CA SER A 14 -3.440 -17.320 -0.908 1.00 0.00 C ATOM 200 C SER A 14 -1.933 -17.437 -1.099 1.00 0.00 C ATOM 201 O SER A 14 -1.227 -16.429 -1.144 1.00 0.00 O ATOM 202 CB SER A 14 -4.136 -17.355 -2.271 1.00 0.00 C ATOM 203 OG SER A 14 -3.348 -16.722 -3.266 1.00 0.00 O ATOM 0 H SER A 14 -4.128 -15.342 -0.788 1.00 0.00 H new ATOM 0 HA SER A 14 -3.781 -18.164 -0.308 1.00 0.00 H new ATOM 0 HB2 SER A 14 -4.327 -18.389 -2.558 1.00 0.00 H new ATOM 0 HB3 SER A 14 -5.104 -16.860 -2.201 1.00 0.00 H new ATOM 0 HG SER A 14 -3.815 -16.760 -4.127 1.00 0.00 H new ATOM 209 N PRO A 15 -1.416 -18.672 -1.233 1.00 0.00 N ATOM 210 CA PRO A 15 0.013 -18.900 -1.453 1.00 0.00 C ATOM 211 C PRO A 15 0.449 -18.422 -2.832 1.00 0.00 C ATOM 212 O PRO A 15 1.624 -18.511 -3.192 1.00 0.00 O ATOM 213 CB PRO A 15 0.155 -20.419 -1.338 1.00 0.00 C ATOM 214 CG PRO A 15 -1.187 -20.952 -1.702 1.00 0.00 C ATOM 215 CD PRO A 15 -2.181 -19.935 -1.209 1.00 0.00 C ATOM 0 HA PRO A 15 0.636 -18.354 -0.744 1.00 0.00 H new ATOM 0 HB2 PRO A 15 0.927 -20.797 -2.009 1.00 0.00 H new ATOM 0 HB3 PRO A 15 0.438 -20.715 -0.328 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -1.273 -21.092 -2.780 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -1.360 -21.924 -1.240 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -3.059 -19.886 -1.853 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -2.535 -20.172 -0.206 1.00 0.00 H new ATOM 223 N ASP A 16 -0.515 -17.932 -3.605 1.00 0.00 N ATOM 224 CA ASP A 16 -0.244 -17.414 -4.938 1.00 0.00 C ATOM 225 C ASP A 16 0.052 -15.923 -4.870 1.00 0.00 C ATOM 226 O ASP A 16 -0.420 -15.143 -5.696 1.00 0.00 O ATOM 227 CB ASP A 16 -1.436 -17.676 -5.864 1.00 0.00 C ATOM 228 CG ASP A 16 -1.075 -18.574 -7.031 1.00 0.00 C ATOM 229 OD1 ASP A 16 -1.157 -19.810 -6.876 1.00 0.00 O ATOM 230 OD2 ASP A 16 -0.711 -18.040 -8.100 1.00 0.00 O ATOM 0 H ASP A 16 -1.495 -17.884 -3.328 1.00 0.00 H new ATOM 0 HA ASP A 16 0.629 -17.928 -5.342 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -2.243 -18.135 -5.292 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -1.814 -16.726 -6.243 1.00 0.00 H new ATOM 235 N VAL A 17 0.840 -15.543 -3.869 1.00 0.00 N ATOM 236 CA VAL A 17 1.205 -14.146 -3.654 1.00 0.00 C ATOM 237 C VAL A 17 2.050 -13.612 -4.813 1.00 0.00 C ATOM 238 O VAL A 17 3.275 -13.520 -4.712 1.00 0.00 O ATOM 239 CB VAL A 17 1.987 -13.979 -2.329 1.00 0.00 C ATOM 240 CG1 VAL A 17 2.459 -12.543 -2.138 1.00 0.00 C ATOM 241 CG2 VAL A 17 1.132 -14.417 -1.151 1.00 0.00 C ATOM 0 H VAL A 17 1.241 -16.189 -3.189 1.00 0.00 H new ATOM 0 HA VAL A 17 0.280 -13.573 -3.599 1.00 0.00 H new ATOM 0 HB VAL A 17 2.870 -14.616 -2.380 1.00 0.00 H new ATOM 0 HG11 VAL A 17 3.004 -12.461 -1.198 1.00 0.00 H new ATOM 0 HG12 VAL A 17 3.114 -12.262 -2.963 1.00 0.00 H new ATOM 0 HG13 VAL A 17 1.597 -11.876 -2.116 1.00 0.00 H new ATOM 0 HG21 VAL A 17 1.696 -14.294 -0.226 1.00 0.00 H new ATOM 0 HG22 VAL A 17 0.230 -13.807 -1.110 1.00 0.00 H new ATOM 0 HG23 VAL A 17 0.857 -15.465 -1.271 1.00 0.00 H new ATOM 251 N ASP A 18 1.395 -13.288 -5.927 1.00 0.00 N ATOM 252 CA ASP A 18 2.091 -12.740 -7.086 1.00 0.00 C ATOM 253 C ASP A 18 2.608 -11.348 -6.773 1.00 0.00 C ATOM 254 O ASP A 18 1.860 -10.379 -6.810 1.00 0.00 O ATOM 255 CB ASP A 18 1.171 -12.688 -8.304 1.00 0.00 C ATOM 256 CG ASP A 18 0.976 -14.049 -8.943 1.00 0.00 C ATOM 257 OD1 ASP A 18 0.731 -15.023 -8.201 1.00 0.00 O ATOM 258 OD2 ASP A 18 1.069 -14.141 -10.185 1.00 0.00 O ATOM 0 H ASP A 18 0.388 -13.395 -6.050 1.00 0.00 H new ATOM 0 HA ASP A 18 2.931 -13.395 -7.317 1.00 0.00 H new ATOM 0 HB2 ASP A 18 0.202 -12.288 -8.006 1.00 0.00 H new ATOM 0 HB3 ASP A 18 1.587 -12.001 -9.041 1.00 0.00 H new ATOM 263 N LEU A 19 3.882 -11.267 -6.430 1.00 0.00 N ATOM 264 CA LEU A 19 4.511 -10.002 -6.079 1.00 0.00 C ATOM 265 C LEU A 19 4.478 -9.019 -7.237 1.00 0.00 C ATOM 266 O LEU A 19 4.017 -7.888 -7.089 1.00 0.00 O ATOM 267 CB LEU A 19 5.969 -10.255 -5.674 1.00 0.00 C ATOM 268 CG LEU A 19 6.487 -9.436 -4.491 1.00 0.00 C ATOM 269 CD1 LEU A 19 6.235 -7.951 -4.710 1.00 0.00 C ATOM 270 CD2 LEU A 19 5.846 -9.913 -3.198 1.00 0.00 C ATOM 0 H LEU A 19 4.508 -12.071 -6.387 1.00 0.00 H new ATOM 0 HA LEU A 19 3.954 -9.568 -5.249 1.00 0.00 H new ATOM 0 HB2 LEU A 19 6.081 -11.313 -5.435 1.00 0.00 H new ATOM 0 HB3 LEU A 19 6.605 -10.054 -6.536 1.00 0.00 H new ATOM 0 HG LEU A 19 7.564 -9.583 -4.413 1.00 0.00 H new ATOM 0 HD11 LEU A 19 6.612 -7.388 -3.856 1.00 0.00 H new ATOM 0 HD12 LEU A 19 6.748 -7.624 -5.615 1.00 0.00 H new ATOM 0 HD13 LEU A 19 5.165 -7.775 -4.817 1.00 0.00 H new ATOM 0 HD21 LEU A 19 6.224 -9.321 -2.364 1.00 0.00 H new ATOM 0 HD22 LEU A 19 4.764 -9.797 -3.264 1.00 0.00 H new ATOM 0 HD23 LEU A 19 6.089 -10.963 -3.037 1.00 0.00 H new ATOM 282 N GLU A 20 4.931 -9.467 -8.399 1.00 0.00 N ATOM 283 CA GLU A 20 5.013 -8.598 -9.561 1.00 0.00 C ATOM 284 C GLU A 20 3.624 -8.221 -10.046 1.00 0.00 C ATOM 285 O GLU A 20 3.389 -7.081 -10.447 1.00 0.00 O ATOM 286 CB GLU A 20 5.794 -9.286 -10.683 1.00 0.00 C ATOM 287 CG GLU A 20 5.831 -8.491 -11.978 1.00 0.00 C ATOM 288 CD GLU A 20 6.106 -9.361 -13.189 1.00 0.00 C ATOM 289 OE1 GLU A 20 6.914 -10.306 -13.069 1.00 0.00 O ATOM 290 OE2 GLU A 20 5.516 -9.097 -14.257 1.00 0.00 O ATOM 0 H GLU A 20 5.246 -10.424 -8.561 1.00 0.00 H new ATOM 0 HA GLU A 20 5.538 -7.687 -9.273 1.00 0.00 H new ATOM 0 HB2 GLU A 20 6.816 -9.464 -10.347 1.00 0.00 H new ATOM 0 HB3 GLU A 20 5.349 -10.261 -10.878 1.00 0.00 H new ATOM 0 HG2 GLU A 20 4.879 -7.978 -12.112 1.00 0.00 H new ATOM 0 HG3 GLU A 20 6.600 -7.722 -11.906 1.00 0.00 H new ATOM 297 N ALA A 21 2.701 -9.168 -9.985 1.00 0.00 N ATOM 298 CA ALA A 21 1.333 -8.896 -10.395 1.00 0.00 C ATOM 299 C ALA A 21 0.649 -7.975 -9.398 1.00 0.00 C ATOM 300 O ALA A 21 -0.137 -7.104 -9.773 1.00 0.00 O ATOM 301 CB ALA A 21 0.554 -10.191 -10.561 1.00 0.00 C ATOM 0 H ALA A 21 2.871 -10.120 -9.660 1.00 0.00 H new ATOM 0 HA ALA A 21 1.358 -8.391 -11.361 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -0.467 -9.965 -10.868 1.00 0.00 H new ATOM 0 HB2 ALA A 21 1.033 -10.809 -11.321 1.00 0.00 H new ATOM 0 HB3 ALA A 21 0.537 -10.729 -9.613 1.00 0.00 H new ATOM 307 N LEU A 22 0.942 -8.190 -8.124 1.00 0.00 N ATOM 308 CA LEU A 22 0.382 -7.373 -7.060 1.00 0.00 C ATOM 309 C LEU A 22 0.916 -5.955 -7.152 1.00 0.00 C ATOM 310 O LEU A 22 0.231 -4.996 -6.797 1.00 0.00 O ATOM 311 CB LEU A 22 0.717 -7.991 -5.698 1.00 0.00 C ATOM 312 CG LEU A 22 -0.456 -8.083 -4.715 1.00 0.00 C ATOM 313 CD1 LEU A 22 0.034 -8.537 -3.351 1.00 0.00 C ATOM 314 CD2 LEU A 22 -1.187 -6.754 -4.606 1.00 0.00 C ATOM 0 H LEU A 22 1.568 -8.928 -7.802 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.702 -7.338 -7.169 1.00 0.00 H new ATOM 0 HB2 LEU A 22 1.114 -8.993 -5.860 1.00 0.00 H new ATOM 0 HB3 LEU A 22 1.511 -7.404 -5.237 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.161 -8.821 -5.097 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -0.809 -8.598 -2.663 1.00 0.00 H new ATOM 0 HD12 LEU A 22 0.501 -9.518 -3.440 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.762 -7.822 -2.969 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -2.014 -6.850 -3.902 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.497 -5.987 -4.253 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -1.575 -6.471 -5.584 1.00 0.00 H new ATOM 326 N LYS A 23 2.134 -5.833 -7.659 1.00 0.00 N ATOM 327 CA LYS A 23 2.768 -4.537 -7.824 1.00 0.00 C ATOM 328 C LYS A 23 1.936 -3.652 -8.736 1.00 0.00 C ATOM 329 O LYS A 23 1.707 -2.478 -8.442 1.00 0.00 O ATOM 330 CB LYS A 23 4.172 -4.716 -8.401 1.00 0.00 C ATOM 331 CG LYS A 23 5.279 -4.313 -7.439 1.00 0.00 C ATOM 332 CD LYS A 23 6.381 -3.545 -8.148 1.00 0.00 C ATOM 333 CE LYS A 23 7.666 -4.355 -8.214 1.00 0.00 C ATOM 334 NZ LYS A 23 8.299 -4.286 -9.560 1.00 0.00 N ATOM 0 H LYS A 23 2.704 -6.622 -7.964 1.00 0.00 H new ATOM 0 HA LYS A 23 2.842 -4.055 -6.849 1.00 0.00 H new ATOM 0 HB2 LYS A 23 4.310 -5.760 -8.684 1.00 0.00 H new ATOM 0 HB3 LYS A 23 4.260 -4.124 -9.312 1.00 0.00 H new ATOM 0 HG2 LYS A 23 4.863 -3.699 -6.640 1.00 0.00 H new ATOM 0 HG3 LYS A 23 5.698 -5.204 -6.971 1.00 0.00 H new ATOM 0 HD2 LYS A 23 6.058 -3.290 -9.157 1.00 0.00 H new ATOM 0 HD3 LYS A 23 6.567 -2.606 -7.626 1.00 0.00 H new ATOM 0 HE2 LYS A 23 8.366 -3.986 -7.465 1.00 0.00 H new ATOM 0 HE3 LYS A 23 7.453 -5.395 -7.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 9.172 -4.851 -9.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 7.641 -4.662 -10.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 8.527 -3.297 -9.786 1.00 0.00 H new ATOM 348 N LYS A 24 1.470 -4.229 -9.834 1.00 0.00 N ATOM 349 CA LYS A 24 0.644 -3.499 -10.781 1.00 0.00 C ATOM 350 C LYS A 24 -0.690 -3.124 -10.150 1.00 0.00 C ATOM 351 O LYS A 24 -1.181 -2.011 -10.334 1.00 0.00 O ATOM 352 CB LYS A 24 0.409 -4.338 -12.039 1.00 0.00 C ATOM 353 CG LYS A 24 1.625 -5.143 -12.470 1.00 0.00 C ATOM 354 CD LYS A 24 1.449 -5.715 -13.866 1.00 0.00 C ATOM 355 CE LYS A 24 1.097 -7.193 -13.820 1.00 0.00 C ATOM 356 NZ LYS A 24 -0.330 -7.435 -14.172 1.00 0.00 N ATOM 0 H LYS A 24 1.650 -5.200 -10.090 1.00 0.00 H new ATOM 0 HA LYS A 24 1.168 -2.585 -11.058 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -0.423 -5.019 -11.861 1.00 0.00 H new ATOM 0 HB3 LYS A 24 0.112 -3.679 -12.855 1.00 0.00 H new ATOM 0 HG2 LYS A 24 2.510 -4.508 -12.445 1.00 0.00 H new ATOM 0 HG3 LYS A 24 1.795 -5.954 -11.762 1.00 0.00 H new ATOM 0 HD2 LYS A 24 0.664 -5.169 -14.388 1.00 0.00 H new ATOM 0 HD3 LYS A 24 2.367 -5.576 -14.436 1.00 0.00 H new ATOM 0 HE2 LYS A 24 1.739 -7.741 -14.510 1.00 0.00 H new ATOM 0 HE3 LYS A 24 1.296 -7.583 -12.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -0.530 -8.455 -14.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -0.944 -6.933 -13.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -0.514 -7.086 -15.134 1.00 0.00 H new ATOM 370 N GLU A 25 -1.272 -4.061 -9.406 1.00 0.00 N ATOM 371 CA GLU A 25 -2.553 -3.825 -8.754 1.00 0.00 C ATOM 372 C GLU A 25 -2.427 -2.731 -7.705 1.00 0.00 C ATOM 373 O GLU A 25 -3.370 -1.982 -7.452 1.00 0.00 O ATOM 374 CB GLU A 25 -3.067 -5.112 -8.105 1.00 0.00 C ATOM 375 CG GLU A 25 -3.509 -6.166 -9.107 1.00 0.00 C ATOM 376 CD GLU A 25 -4.948 -5.982 -9.550 1.00 0.00 C ATOM 377 OE1 GLU A 25 -5.829 -5.869 -8.673 1.00 0.00 O ATOM 378 OE2 GLU A 25 -5.192 -5.953 -10.775 1.00 0.00 O ATOM 0 H GLU A 25 -0.877 -4.987 -9.241 1.00 0.00 H new ATOM 0 HA GLU A 25 -3.266 -3.502 -9.512 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -2.282 -5.529 -7.474 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -3.905 -4.870 -7.452 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -2.857 -6.129 -9.979 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -3.393 -7.155 -8.664 1.00 0.00 H new ATOM 385 N ILE A 26 -1.256 -2.661 -7.088 1.00 0.00 N ATOM 386 CA ILE A 26 -0.995 -1.673 -6.054 1.00 0.00 C ATOM 387 C ILE A 26 -1.099 -0.250 -6.601 1.00 0.00 C ATOM 388 O ILE A 26 -1.664 0.630 -5.954 1.00 0.00 O ATOM 389 CB ILE A 26 0.390 -1.899 -5.404 1.00 0.00 C ATOM 390 CG1 ILE A 26 0.213 -2.557 -4.035 1.00 0.00 C ATOM 391 CG2 ILE A 26 1.161 -0.593 -5.268 1.00 0.00 C ATOM 392 CD1 ILE A 26 0.788 -3.952 -3.953 1.00 0.00 C ATOM 0 H ILE A 26 -0.470 -3.280 -7.287 1.00 0.00 H new ATOM 0 HA ILE A 26 -1.760 -1.798 -5.288 1.00 0.00 H new ATOM 0 HB ILE A 26 0.969 -2.557 -6.051 1.00 0.00 H new ATOM 0 HG12 ILE A 26 0.687 -1.933 -3.278 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -0.850 -2.597 -3.795 1.00 0.00 H new ATOM 0 HG21 ILE A 26 2.129 -0.788 -4.808 1.00 0.00 H new ATOM 0 HG22 ILE A 26 1.310 -0.154 -6.255 1.00 0.00 H new ATOM 0 HG23 ILE A 26 0.596 0.100 -4.644 1.00 0.00 H new ATOM 0 HD11 ILE A 26 0.625 -4.355 -2.953 1.00 0.00 H new ATOM 0 HD12 ILE A 26 0.297 -4.592 -4.686 1.00 0.00 H new ATOM 0 HD13 ILE A 26 1.858 -3.917 -4.160 1.00 0.00 H new ATOM 404 N GLN A 27 -0.511 -0.012 -7.766 1.00 0.00 N ATOM 405 CA GLN A 27 -0.548 1.316 -8.367 1.00 0.00 C ATOM 406 C GLN A 27 -1.979 1.718 -8.699 1.00 0.00 C ATOM 407 O GLN A 27 -2.339 2.893 -8.619 1.00 0.00 O ATOM 408 CB GLN A 27 0.324 1.362 -9.619 1.00 0.00 C ATOM 409 CG GLN A 27 1.750 0.885 -9.388 1.00 0.00 C ATOM 410 CD GLN A 27 2.465 1.644 -8.286 1.00 0.00 C ATOM 411 OE1 GLN A 27 2.075 1.590 -7.120 1.00 0.00 O ATOM 412 NE2 GLN A 27 3.534 2.341 -8.651 1.00 0.00 N ATOM 0 H GLN A 27 -0.007 -0.713 -8.310 1.00 0.00 H new ATOM 0 HA GLN A 27 -0.152 2.029 -7.644 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -0.135 0.747 -10.393 1.00 0.00 H new ATOM 0 HB3 GLN A 27 0.349 2.384 -9.997 1.00 0.00 H new ATOM 0 HG2 GLN A 27 1.735 -0.176 -9.138 1.00 0.00 H new ATOM 0 HG3 GLN A 27 2.314 0.986 -10.315 1.00 0.00 H new ATOM 0 HE21 GLN A 27 3.822 2.358 -9.629 1.00 0.00 H new ATOM 0 HE22 GLN A 27 4.067 2.859 -7.953 1.00 0.00 H new ATOM 421 N GLU A 28 -2.792 0.734 -9.066 1.00 0.00 N ATOM 422 CA GLU A 28 -4.189 0.983 -9.404 1.00 0.00 C ATOM 423 C GLU A 28 -5.017 1.251 -8.152 1.00 0.00 C ATOM 424 O GLU A 28 -6.078 1.872 -8.220 1.00 0.00 O ATOM 425 CB GLU A 28 -4.772 -0.210 -10.165 1.00 0.00 C ATOM 426 CG GLU A 28 -3.830 -0.783 -11.209 1.00 0.00 C ATOM 427 CD GLU A 28 -4.459 -1.899 -12.020 1.00 0.00 C ATOM 428 OE1 GLU A 28 -5.670 -2.149 -11.847 1.00 0.00 O ATOM 429 OE2 GLU A 28 -3.741 -2.521 -12.831 1.00 0.00 O ATOM 0 H GLU A 28 -2.508 -0.243 -9.137 1.00 0.00 H new ATOM 0 HA GLU A 28 -4.228 1.868 -10.039 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.031 -0.993 -9.453 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.697 0.097 -10.652 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -3.513 0.014 -11.881 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -2.934 -1.159 -10.715 1.00 0.00 H new ATOM 436 N ARG A 29 -4.534 0.770 -7.011 1.00 0.00 N ATOM 437 CA ARG A 29 -5.245 0.941 -5.749 1.00 0.00 C ATOM 438 C ARG A 29 -4.842 2.238 -5.049 1.00 0.00 C ATOM 439 O ARG A 29 -5.529 2.697 -4.138 1.00 0.00 O ATOM 440 CB ARG A 29 -4.996 -0.260 -4.838 1.00 0.00 C ATOM 441 CG ARG A 29 -3.692 -0.192 -4.070 1.00 0.00 C ATOM 442 CD ARG A 29 -3.673 -1.207 -2.944 1.00 0.00 C ATOM 443 NE ARG A 29 -2.380 -1.254 -2.271 1.00 0.00 N ATOM 444 CZ ARG A 29 -1.895 -0.264 -1.529 1.00 0.00 C ATOM 445 NH1 ARG A 29 -2.595 0.849 -1.356 1.00 0.00 N ATOM 446 NH2 ARG A 29 -0.708 -0.389 -0.954 1.00 0.00 N ATOM 0 H ARG A 29 -3.654 0.259 -6.934 1.00 0.00 H new ATOM 0 HA ARG A 29 -6.311 1.004 -5.969 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -5.820 -0.342 -4.129 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -5.004 -1.168 -5.441 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -2.857 -0.377 -4.746 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -3.557 0.810 -3.664 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -4.449 -0.960 -2.220 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -3.911 -2.194 -3.342 1.00 0.00 H new ATOM 0 HE ARG A 29 -1.815 -2.096 -2.376 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -3.511 0.949 -1.794 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -2.217 1.605 -0.785 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -0.167 -1.245 -1.081 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -0.335 0.370 -0.384 1.00 0.00 H new ATOM 460 N ILE A 30 -3.728 2.823 -5.482 1.00 0.00 N ATOM 461 CA ILE A 30 -3.254 4.078 -4.904 1.00 0.00 C ATOM 462 C ILE A 30 -4.321 5.166 -5.040 1.00 0.00 C ATOM 463 O ILE A 30 -4.951 5.292 -6.089 1.00 0.00 O ATOM 464 CB ILE A 30 -1.951 4.558 -5.583 1.00 0.00 C ATOM 465 CG1 ILE A 30 -0.820 3.552 -5.341 1.00 0.00 C ATOM 466 CG2 ILE A 30 -1.556 5.946 -5.087 1.00 0.00 C ATOM 467 CD1 ILE A 30 -0.305 3.531 -3.917 1.00 0.00 C ATOM 0 H ILE A 30 -3.139 2.451 -6.227 1.00 0.00 H new ATOM 0 HA ILE A 30 -3.050 3.892 -3.849 1.00 0.00 H new ATOM 0 HB ILE A 30 -2.130 4.625 -6.656 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -1.173 2.555 -5.603 1.00 0.00 H new ATOM 0 HG13 ILE A 30 0.007 3.784 -6.012 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -0.636 6.260 -5.580 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -2.352 6.655 -5.317 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -1.398 5.916 -4.009 1.00 0.00 H new ATOM 0 HD11 ILE A 30 0.493 2.794 -3.829 1.00 0.00 H new ATOM 0 HD12 ILE A 30 0.081 4.516 -3.655 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -1.118 3.268 -3.240 1.00 0.00 H new ATOM 479 N PRO A 31 -4.547 5.965 -3.978 1.00 0.00 N ATOM 480 CA PRO A 31 -5.544 7.040 -4.005 1.00 0.00 C ATOM 481 C PRO A 31 -5.289 8.031 -5.139 1.00 0.00 C ATOM 482 O PRO A 31 -4.251 8.692 -5.180 1.00 0.00 O ATOM 483 CB PRO A 31 -5.396 7.719 -2.640 1.00 0.00 C ATOM 484 CG PRO A 31 -4.071 7.273 -2.119 1.00 0.00 C ATOM 485 CD PRO A 31 -3.851 5.899 -2.683 1.00 0.00 C ATOM 0 HA PRO A 31 -6.549 6.658 -4.183 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -5.436 8.804 -2.734 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -6.202 7.427 -1.966 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -3.279 7.955 -2.430 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -4.066 7.254 -1.029 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -2.791 5.676 -2.804 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -4.268 5.125 -2.038 1.00 0.00 H new ATOM 493 N GLU A 32 -6.239 8.106 -6.070 1.00 0.00 N ATOM 494 CA GLU A 32 -6.133 8.993 -7.228 1.00 0.00 C ATOM 495 C GLU A 32 -5.982 10.461 -6.826 1.00 0.00 C ATOM 496 O GLU A 32 -5.892 11.337 -7.687 1.00 0.00 O ATOM 497 CB GLU A 32 -7.361 8.829 -8.124 1.00 0.00 C ATOM 498 CG GLU A 32 -7.027 8.380 -9.537 1.00 0.00 C ATOM 499 CD GLU A 32 -7.581 9.315 -10.593 1.00 0.00 C ATOM 500 OE1 GLU A 32 -8.684 9.861 -10.384 1.00 0.00 O ATOM 501 OE2 GLU A 32 -6.912 9.500 -11.632 1.00 0.00 O ATOM 0 H GLU A 32 -7.099 7.558 -6.044 1.00 0.00 H new ATOM 0 HA GLU A 32 -5.232 8.708 -7.771 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -8.037 8.103 -7.671 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -7.896 9.777 -8.170 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -5.945 8.315 -9.647 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -7.425 7.378 -9.699 1.00 0.00 H new ATOM 508 N GLY A 33 -5.954 10.730 -5.525 1.00 0.00 N ATOM 509 CA GLY A 33 -5.825 12.098 -5.059 1.00 0.00 C ATOM 510 C GLY A 33 -4.387 12.576 -5.049 1.00 0.00 C ATOM 511 O GLY A 33 -4.110 13.735 -5.360 1.00 0.00 O ATOM 0 H GLY A 33 -6.018 10.028 -4.788 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -6.418 12.753 -5.698 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -6.237 12.176 -4.053 1.00 0.00 H new ATOM 515 N THR A 34 -3.468 11.680 -4.700 1.00 0.00 N ATOM 516 CA THR A 34 -2.050 12.023 -4.657 1.00 0.00 C ATOM 517 C THR A 34 -1.217 10.991 -5.416 1.00 0.00 C ATOM 518 O THR A 34 -1.653 10.462 -6.439 1.00 0.00 O ATOM 519 CB THR A 34 -1.579 12.124 -3.206 1.00 0.00 C ATOM 520 OG1 THR A 34 -2.685 12.256 -2.332 1.00 0.00 O ATOM 521 CG2 THR A 34 -0.651 13.293 -2.954 1.00 0.00 C ATOM 0 H THR A 34 -3.678 10.715 -4.444 1.00 0.00 H new ATOM 0 HA THR A 34 -1.914 12.990 -5.141 1.00 0.00 H new ATOM 0 HB THR A 34 -1.030 11.202 -3.015 1.00 0.00 H new ATOM 0 HG1 THR A 34 -2.690 13.156 -1.944 1.00 0.00 H new ATOM 0 HG21 THR A 34 -0.356 13.304 -1.905 1.00 0.00 H new ATOM 0 HG22 THR A 34 0.236 13.195 -3.579 1.00 0.00 H new ATOM 0 HG23 THR A 34 -1.164 14.224 -3.196 1.00 0.00 H new ATOM 529 N GLU A 35 -0.017 10.707 -4.911 1.00 0.00 N ATOM 530 CA GLU A 35 0.875 9.747 -5.551 1.00 0.00 C ATOM 531 C GLU A 35 1.522 8.830 -4.520 1.00 0.00 C ATOM 532 O GLU A 35 1.460 9.088 -3.317 1.00 0.00 O ATOM 533 CB GLU A 35 1.959 10.478 -6.346 1.00 0.00 C ATOM 534 CG GLU A 35 1.410 11.359 -7.457 1.00 0.00 C ATOM 535 CD GLU A 35 2.111 11.130 -8.782 1.00 0.00 C ATOM 536 OE1 GLU A 35 3.340 10.906 -8.773 1.00 0.00 O ATOM 537 OE2 GLU A 35 1.431 11.173 -9.828 1.00 0.00 O ATOM 0 H GLU A 35 0.358 11.129 -4.061 1.00 0.00 H new ATOM 0 HA GLU A 35 0.280 9.137 -6.231 1.00 0.00 H new ATOM 0 HB2 GLU A 35 2.546 11.092 -5.663 1.00 0.00 H new ATOM 0 HB3 GLU A 35 2.638 9.743 -6.778 1.00 0.00 H new ATOM 0 HG2 GLU A 35 0.344 11.166 -7.576 1.00 0.00 H new ATOM 0 HG3 GLU A 35 1.514 12.406 -7.171 1.00 0.00 H new ATOM 544 N LEU A 36 2.152 7.764 -5.002 1.00 0.00 N ATOM 545 CA LEU A 36 2.808 6.798 -4.125 1.00 0.00 C ATOM 546 C LEU A 36 4.124 7.356 -3.582 1.00 0.00 C ATOM 547 O LEU A 36 4.460 8.518 -3.813 1.00 0.00 O ATOM 548 CB LEU A 36 3.065 5.480 -4.870 1.00 0.00 C ATOM 549 CG LEU A 36 3.222 5.601 -6.389 1.00 0.00 C ATOM 550 CD1 LEU A 36 4.651 5.289 -6.804 1.00 0.00 C ATOM 551 CD2 LEU A 36 2.242 4.678 -7.105 1.00 0.00 C ATOM 0 H LEU A 36 2.223 7.546 -5.996 1.00 0.00 H new ATOM 0 HA LEU A 36 2.142 6.604 -3.284 1.00 0.00 H new ATOM 0 HB2 LEU A 36 3.968 5.024 -4.464 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.241 4.798 -4.661 1.00 0.00 H new ATOM 0 HG LEU A 36 2.997 6.628 -6.677 1.00 0.00 H new ATOM 0 HD11 LEU A 36 4.744 5.380 -7.886 1.00 0.00 H new ATOM 0 HD12 LEU A 36 5.331 5.990 -6.321 1.00 0.00 H new ATOM 0 HD13 LEU A 36 4.904 4.273 -6.502 1.00 0.00 H new ATOM 0 HD21 LEU A 36 2.369 4.778 -8.183 1.00 0.00 H new ATOM 0 HD22 LEU A 36 2.434 3.646 -6.812 1.00 0.00 H new ATOM 0 HD23 LEU A 36 1.222 4.949 -6.833 1.00 0.00 H new ATOM 563 N HIS A 37 4.836 6.534 -2.814 1.00 0.00 N ATOM 564 CA HIS A 37 6.109 6.935 -2.223 1.00 0.00 C ATOM 565 C HIS A 37 7.179 5.878 -2.460 1.00 0.00 C ATOM 566 O HIS A 37 8.040 6.026 -3.325 1.00 0.00 O ATOM 567 CB HIS A 37 5.946 7.161 -0.722 1.00 0.00 C ATOM 568 CG HIS A 37 7.180 7.686 -0.053 1.00 0.00 C ATOM 569 ND1 HIS A 37 7.510 9.020 -0.097 1.00 0.00 N ATOM 570 CD2 HIS A 37 8.122 7.020 0.657 1.00 0.00 C ATOM 571 CE1 HIS A 37 8.637 9.136 0.582 1.00 0.00 C ATOM 572 NE2 HIS A 37 9.046 7.952 1.056 1.00 0.00 N ATOM 0 H HIS A 37 4.550 5.582 -2.586 1.00 0.00 H new ATOM 0 HA HIS A 37 6.421 7.863 -2.701 1.00 0.00 H new ATOM 0 HB2 HIS A 37 5.128 7.862 -0.556 1.00 0.00 H new ATOM 0 HB3 HIS A 37 5.661 6.220 -0.251 1.00 0.00 H new ATOM 0 HD2 HIS A 37 8.142 5.961 0.868 1.00 0.00 H new ATOM 0 HE1 HIS A 37 9.162 10.067 0.735 1.00 0.00 H new ATOM 0 HE2 HIS A 37 9.885 7.777 1.609 1.00 0.00 H new ATOM 580 N LYS A 38 7.082 4.791 -1.698 1.00 0.00 N ATOM 581 CA LYS A 38 8.039 3.694 -1.775 1.00 0.00 C ATOM 582 C LYS A 38 7.444 2.431 -1.160 1.00 0.00 C ATOM 583 O LYS A 38 6.920 2.461 -0.047 1.00 0.00 O ATOM 584 CB LYS A 38 9.328 4.060 -1.032 1.00 0.00 C ATOM 585 CG LYS A 38 10.268 4.960 -1.819 1.00 0.00 C ATOM 586 CD LYS A 38 10.712 4.312 -3.120 1.00 0.00 C ATOM 587 CE LYS A 38 12.122 4.734 -3.499 1.00 0.00 C ATOM 588 NZ LYS A 38 12.261 4.954 -4.965 1.00 0.00 N ATOM 0 H LYS A 38 6.340 4.648 -1.013 1.00 0.00 H new ATOM 0 HA LYS A 38 8.268 3.512 -2.825 1.00 0.00 H new ATOM 0 HB2 LYS A 38 9.067 4.556 -0.097 1.00 0.00 H new ATOM 0 HB3 LYS A 38 9.856 3.143 -0.770 1.00 0.00 H new ATOM 0 HG2 LYS A 38 9.770 5.905 -2.035 1.00 0.00 H new ATOM 0 HG3 LYS A 38 11.143 5.192 -1.211 1.00 0.00 H new ATOM 0 HD2 LYS A 38 10.670 3.227 -3.020 1.00 0.00 H new ATOM 0 HD3 LYS A 38 10.022 4.586 -3.918 1.00 0.00 H new ATOM 0 HE2 LYS A 38 12.382 5.650 -2.968 1.00 0.00 H new ATOM 0 HE3 LYS A 38 12.829 3.969 -3.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 13.237 5.240 -5.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 12.038 4.073 -5.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 11.605 5.702 -5.267 1.00 0.00 H new ATOM 602 N ILE A 39 7.511 1.328 -1.899 1.00 0.00 N ATOM 603 CA ILE A 39 6.943 0.064 -1.438 1.00 0.00 C ATOM 604 C ILE A 39 7.984 -0.811 -0.743 1.00 0.00 C ATOM 605 O ILE A 39 9.187 -0.653 -0.950 1.00 0.00 O ATOM 606 CB ILE A 39 6.316 -0.721 -2.602 1.00 0.00 C ATOM 607 CG1 ILE A 39 5.523 0.232 -3.506 1.00 0.00 C ATOM 608 CG2 ILE A 39 5.425 -1.830 -2.062 1.00 0.00 C ATOM 609 CD1 ILE A 39 4.592 -0.466 -4.472 1.00 0.00 C ATOM 0 H ILE A 39 7.952 1.283 -2.818 1.00 0.00 H new ATOM 0 HA ILE A 39 6.168 0.319 -0.716 1.00 0.00 H new ATOM 0 HB ILE A 39 7.106 -1.179 -3.197 1.00 0.00 H new ATOM 0 HG12 ILE A 39 4.940 0.908 -2.881 1.00 0.00 H new ATOM 0 HG13 ILE A 39 6.224 0.846 -4.072 1.00 0.00 H new ATOM 0 HG21 ILE A 39 4.985 -2.381 -2.893 1.00 0.00 H new ATOM 0 HG22 ILE A 39 6.019 -2.509 -1.451 1.00 0.00 H new ATOM 0 HG23 ILE A 39 4.631 -1.396 -1.454 1.00 0.00 H new ATOM 0 HD11 ILE A 39 4.069 0.277 -5.074 1.00 0.00 H new ATOM 0 HD12 ILE A 39 5.169 -1.121 -5.125 1.00 0.00 H new ATOM 0 HD13 ILE A 39 3.866 -1.058 -3.914 1.00 0.00 H new ATOM 621 N ASP A 40 7.502 -1.741 0.081 1.00 0.00 N ATOM 622 CA ASP A 40 8.370 -2.657 0.813 1.00 0.00 C ATOM 623 C ASP A 40 7.964 -4.106 0.569 1.00 0.00 C ATOM 624 O ASP A 40 6.850 -4.506 0.891 1.00 0.00 O ATOM 625 CB ASP A 40 8.304 -2.356 2.309 1.00 0.00 C ATOM 626 CG ASP A 40 9.672 -2.352 2.963 1.00 0.00 C ATOM 627 OD1 ASP A 40 10.647 -1.940 2.299 1.00 0.00 O ATOM 628 OD2 ASP A 40 9.770 -2.760 4.139 1.00 0.00 O ATOM 0 H ASP A 40 6.507 -1.879 0.258 1.00 0.00 H new ATOM 0 HA ASP A 40 9.390 -2.515 0.455 1.00 0.00 H new ATOM 0 HB2 ASP A 40 7.830 -1.386 2.460 1.00 0.00 H new ATOM 0 HB3 ASP A 40 7.674 -3.099 2.798 1.00 0.00 H new ATOM 633 N GLU A 41 8.871 -4.885 -0.001 1.00 0.00 N ATOM 634 CA GLU A 41 8.609 -6.295 -0.273 1.00 0.00 C ATOM 635 C GLU A 41 8.929 -7.138 0.956 1.00 0.00 C ATOM 636 O GLU A 41 9.932 -7.851 0.990 1.00 0.00 O ATOM 637 CB GLU A 41 9.439 -6.765 -1.468 1.00 0.00 C ATOM 638 CG GLU A 41 10.855 -6.218 -1.467 1.00 0.00 C ATOM 639 CD GLU A 41 11.799 -7.037 -2.326 1.00 0.00 C ATOM 640 OE1 GLU A 41 11.938 -8.251 -2.064 1.00 0.00 O ATOM 641 OE2 GLU A 41 12.400 -6.465 -3.260 1.00 0.00 O ATOM 0 H GLU A 41 9.797 -4.566 -0.286 1.00 0.00 H new ATOM 0 HA GLU A 41 7.552 -6.415 -0.512 1.00 0.00 H new ATOM 0 HB2 GLU A 41 9.478 -7.854 -1.469 1.00 0.00 H new ATOM 0 HB3 GLU A 41 8.941 -6.463 -2.389 1.00 0.00 H new ATOM 0 HG2 GLU A 41 10.843 -5.189 -1.827 1.00 0.00 H new ATOM 0 HG3 GLU A 41 11.230 -6.194 -0.444 1.00 0.00 H new ATOM 648 N GLU A 42 8.092 -7.016 1.980 1.00 0.00 N ATOM 649 CA GLU A 42 8.304 -7.737 3.227 1.00 0.00 C ATOM 650 C GLU A 42 7.417 -8.969 3.320 1.00 0.00 C ATOM 651 O GLU A 42 6.322 -8.993 2.776 1.00 0.00 O ATOM 652 CB GLU A 42 8.064 -6.813 4.413 1.00 0.00 C ATOM 653 CG GLU A 42 9.347 -6.248 4.998 1.00 0.00 C ATOM 654 CD GLU A 42 10.494 -6.222 4.004 1.00 0.00 C ATOM 655 OE1 GLU A 42 10.546 -5.283 3.183 1.00 0.00 O ATOM 656 OE2 GLU A 42 11.340 -7.139 4.051 1.00 0.00 O ATOM 0 H GLU A 42 7.261 -6.425 1.970 1.00 0.00 H new ATOM 0 HA GLU A 42 9.339 -8.078 3.246 1.00 0.00 H new ATOM 0 HB2 GLU A 42 7.421 -5.990 4.100 1.00 0.00 H new ATOM 0 HB3 GLU A 42 7.528 -7.359 5.189 1.00 0.00 H new ATOM 0 HG2 GLU A 42 9.161 -5.235 5.356 1.00 0.00 H new ATOM 0 HG3 GLU A 42 9.638 -6.843 5.864 1.00 0.00 H new ATOM 663 N PRO A 43 7.890 -10.015 4.016 1.00 0.00 N ATOM 664 CA PRO A 43 7.173 -11.274 4.142 1.00 0.00 C ATOM 665 C PRO A 43 6.276 -11.336 5.368 1.00 0.00 C ATOM 666 O PRO A 43 6.455 -10.587 6.327 1.00 0.00 O ATOM 667 CB PRO A 43 8.300 -12.303 4.241 1.00 0.00 C ATOM 668 CG PRO A 43 9.524 -11.548 4.687 1.00 0.00 C ATOM 669 CD PRO A 43 9.190 -10.074 4.690 1.00 0.00 C ATOM 0 HA PRO A 43 6.492 -11.436 3.307 1.00 0.00 H new ATOM 0 HB2 PRO A 43 8.047 -13.089 4.953 1.00 0.00 H new ATOM 0 HB3 PRO A 43 8.471 -12.787 3.279 1.00 0.00 H new ATOM 0 HG2 PRO A 43 9.829 -11.871 5.682 1.00 0.00 H new ATOM 0 HG3 PRO A 43 10.360 -11.748 4.017 1.00 0.00 H new ATOM 0 HD2 PRO A 43 9.135 -9.677 5.704 1.00 0.00 H new ATOM 0 HD3 PRO A 43 9.943 -9.491 4.160 1.00 0.00 H new ATOM 677 N ILE A 44 5.296 -12.232 5.313 1.00 0.00 N ATOM 678 CA ILE A 44 4.331 -12.392 6.392 1.00 0.00 C ATOM 679 C ILE A 44 4.216 -13.850 6.822 1.00 0.00 C ATOM 680 O ILE A 44 4.841 -14.271 7.796 1.00 0.00 O ATOM 681 CB ILE A 44 2.942 -11.878 5.965 1.00 0.00 C ATOM 682 CG1 ILE A 44 3.093 -10.692 5.004 1.00 0.00 C ATOM 683 CG2 ILE A 44 2.118 -11.490 7.183 1.00 0.00 C ATOM 684 CD1 ILE A 44 3.679 -9.454 5.654 1.00 0.00 C ATOM 0 H ILE A 44 5.150 -12.863 4.525 1.00 0.00 H new ATOM 0 HA ILE A 44 4.691 -11.804 7.236 1.00 0.00 H new ATOM 0 HB ILE A 44 2.415 -12.678 5.445 1.00 0.00 H new ATOM 0 HG12 ILE A 44 3.729 -10.990 4.170 1.00 0.00 H new ATOM 0 HG13 ILE A 44 2.116 -10.446 4.588 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.141 -11.130 6.861 1.00 0.00 H new ATOM 0 HG22 ILE A 44 1.990 -12.360 7.828 1.00 0.00 H new ATOM 0 HG23 ILE A 44 2.632 -10.702 7.734 1.00 0.00 H new ATOM 0 HD11 ILE A 44 3.756 -8.657 4.915 1.00 0.00 H new ATOM 0 HD12 ILE A 44 3.032 -9.131 6.470 1.00 0.00 H new ATOM 0 HD13 ILE A 44 4.670 -9.683 6.045 1.00 0.00 H new ATOM 696 N ALA A 45 3.403 -14.614 6.097 1.00 0.00 N ATOM 697 CA ALA A 45 3.205 -16.028 6.398 1.00 0.00 C ATOM 698 C ALA A 45 4.475 -16.833 6.128 1.00 0.00 C ATOM 699 O ALA A 45 5.587 -16.320 6.263 1.00 0.00 O ATOM 700 CB ALA A 45 2.037 -16.576 5.589 1.00 0.00 C ATOM 0 H ALA A 45 2.870 -14.276 5.296 1.00 0.00 H new ATOM 0 HA ALA A 45 2.973 -16.123 7.459 1.00 0.00 H new ATOM 0 HB1 ALA A 45 1.897 -17.632 5.821 1.00 0.00 H new ATOM 0 HB2 ALA A 45 1.130 -16.026 5.841 1.00 0.00 H new ATOM 0 HB3 ALA A 45 2.246 -16.463 4.525 1.00 0.00 H new ATOM 706 N PHE A 46 4.306 -18.094 5.736 1.00 0.00 N ATOM 707 CA PHE A 46 5.441 -18.963 5.447 1.00 0.00 C ATOM 708 C PHE A 46 6.132 -18.540 4.155 1.00 0.00 C ATOM 709 O PHE A 46 7.350 -18.667 4.020 1.00 0.00 O ATOM 710 CB PHE A 46 4.981 -20.418 5.338 1.00 0.00 C ATOM 711 CG PHE A 46 5.132 -21.194 6.614 1.00 0.00 C ATOM 712 CD1 PHE A 46 4.129 -21.181 7.571 1.00 0.00 C ATOM 713 CD2 PHE A 46 6.275 -21.940 6.856 1.00 0.00 C ATOM 714 CE1 PHE A 46 4.265 -21.896 8.747 1.00 0.00 C ATOM 715 CE2 PHE A 46 6.415 -22.657 8.030 1.00 0.00 C ATOM 716 CZ PHE A 46 5.409 -22.634 8.976 1.00 0.00 C ATOM 0 H PHE A 46 3.395 -18.535 5.612 1.00 0.00 H new ATOM 0 HA PHE A 46 6.154 -18.874 6.267 1.00 0.00 H new ATOM 0 HB2 PHE A 46 3.935 -20.437 5.033 1.00 0.00 H new ATOM 0 HB3 PHE A 46 5.552 -20.913 4.552 1.00 0.00 H new ATOM 0 HD1 PHE A 46 3.232 -20.606 7.396 1.00 0.00 H new ATOM 0 HD2 PHE A 46 7.065 -21.961 6.120 1.00 0.00 H new ATOM 0 HE1 PHE A 46 3.477 -21.877 9.485 1.00 0.00 H new ATOM 0 HE2 PHE A 46 7.310 -23.235 8.207 1.00 0.00 H new ATOM 0 HZ PHE A 46 5.517 -23.193 9.894 1.00 0.00 H new ATOM 726 N GLY A 47 5.348 -18.023 3.215 1.00 0.00 N ATOM 727 CA GLY A 47 5.899 -17.582 1.947 1.00 0.00 C ATOM 728 C GLY A 47 5.089 -16.463 1.320 1.00 0.00 C ATOM 729 O GLY A 47 5.321 -16.092 0.169 1.00 0.00 O ATOM 0 H GLY A 47 4.340 -17.901 3.309 1.00 0.00 H new ATOM 0 HA2 GLY A 47 6.924 -17.244 2.098 1.00 0.00 H new ATOM 0 HA3 GLY A 47 5.940 -18.426 1.259 1.00 0.00 H new ATOM 733 N LEU A 48 4.132 -15.930 2.074 1.00 0.00 N ATOM 734 CA LEU A 48 3.287 -14.848 1.584 1.00 0.00 C ATOM 735 C LEU A 48 3.884 -13.490 1.936 1.00 0.00 C ATOM 736 O LEU A 48 3.784 -13.033 3.075 1.00 0.00 O ATOM 737 CB LEU A 48 1.871 -14.972 2.161 1.00 0.00 C ATOM 738 CG LEU A 48 1.290 -16.392 2.200 1.00 0.00 C ATOM 739 CD1 LEU A 48 -0.221 -16.344 2.374 1.00 0.00 C ATOM 740 CD2 LEU A 48 1.653 -17.166 0.941 1.00 0.00 C ATOM 0 H LEU A 48 3.923 -16.230 3.026 1.00 0.00 H new ATOM 0 HA LEU A 48 3.231 -14.926 0.498 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.876 -14.573 3.175 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.203 -14.342 1.574 1.00 0.00 H new ATOM 0 HG LEU A 48 1.725 -16.911 3.054 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -0.617 -17.359 2.400 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -0.464 -15.836 3.307 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -0.666 -15.802 1.540 1.00 0.00 H new ATOM 0 HD21 LEU A 48 1.229 -18.169 0.995 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.253 -16.649 0.068 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.738 -17.235 0.856 1.00 0.00 H new ATOM 752 N VAL A 49 4.490 -12.845 0.945 1.00 0.00 N ATOM 753 CA VAL A 49 5.137 -11.555 1.146 1.00 0.00 C ATOM 754 C VAL A 49 4.194 -10.392 0.846 1.00 0.00 C ATOM 755 O VAL A 49 3.640 -10.291 -0.248 1.00 0.00 O ATOM 756 CB VAL A 49 6.395 -11.431 0.259 1.00 0.00 C ATOM 757 CG1 VAL A 49 6.889 -9.992 0.183 1.00 0.00 C ATOM 758 CG2 VAL A 49 7.492 -12.353 0.768 1.00 0.00 C ATOM 0 H VAL A 49 4.546 -13.198 -0.010 1.00 0.00 H new ATOM 0 HA VAL A 49 5.423 -11.505 2.197 1.00 0.00 H new ATOM 0 HB VAL A 49 6.123 -11.735 -0.752 1.00 0.00 H new ATOM 0 HG11 VAL A 49 7.775 -9.945 -0.450 1.00 0.00 H new ATOM 0 HG12 VAL A 49 6.107 -9.361 -0.240 1.00 0.00 H new ATOM 0 HG13 VAL A 49 7.138 -9.640 1.184 1.00 0.00 H new ATOM 0 HG21 VAL A 49 8.373 -12.255 0.133 1.00 0.00 H new ATOM 0 HG22 VAL A 49 7.750 -12.081 1.791 1.00 0.00 H new ATOM 0 HG23 VAL A 49 7.140 -13.384 0.744 1.00 0.00 H new ATOM 768 N ALA A 50 4.084 -9.479 1.806 1.00 0.00 N ATOM 769 CA ALA A 50 3.256 -8.292 1.655 1.00 0.00 C ATOM 770 C ALA A 50 4.087 -7.116 1.176 1.00 0.00 C ATOM 771 O ALA A 50 5.308 -7.099 1.330 1.00 0.00 O ATOM 772 CB ALA A 50 2.598 -7.932 2.973 1.00 0.00 C ATOM 0 H ALA A 50 4.564 -9.542 2.704 1.00 0.00 H new ATOM 0 HA ALA A 50 2.487 -8.513 0.915 1.00 0.00 H new ATOM 0 HB1 ALA A 50 1.983 -7.042 2.841 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.972 -8.760 3.305 1.00 0.00 H new ATOM 0 HB3 ALA A 50 3.366 -7.735 3.721 1.00 0.00 H new ATOM 778 N LEU A 51 3.420 -6.128 0.597 1.00 0.00 N ATOM 779 CA LEU A 51 4.100 -4.944 0.107 1.00 0.00 C ATOM 780 C LEU A 51 3.596 -3.704 0.828 1.00 0.00 C ATOM 781 O LEU A 51 2.412 -3.373 0.767 1.00 0.00 O ATOM 782 CB LEU A 51 3.907 -4.794 -1.406 1.00 0.00 C ATOM 783 CG LEU A 51 3.620 -6.095 -2.163 1.00 0.00 C ATOM 784 CD1 LEU A 51 3.528 -5.831 -3.658 1.00 0.00 C ATOM 785 CD2 LEU A 51 4.685 -7.139 -1.875 1.00 0.00 C ATOM 0 H LEU A 51 2.410 -6.125 0.456 1.00 0.00 H new ATOM 0 HA LEU A 51 5.165 -5.056 0.309 1.00 0.00 H new ATOM 0 HB2 LEU A 51 3.085 -4.101 -1.584 1.00 0.00 H new ATOM 0 HB3 LEU A 51 4.804 -4.339 -1.826 1.00 0.00 H new ATOM 0 HG LEU A 51 2.662 -6.483 -1.817 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.324 -6.765 -4.181 1.00 0.00 H new ATOM 0 HD12 LEU A 51 2.723 -5.123 -3.854 1.00 0.00 H new ATOM 0 HD13 LEU A 51 4.471 -5.415 -4.013 1.00 0.00 H new ATOM 0 HD21 LEU A 51 4.457 -8.052 -2.425 1.00 0.00 H new ATOM 0 HD22 LEU A 51 5.659 -6.761 -2.187 1.00 0.00 H new ATOM 0 HD23 LEU A 51 4.704 -7.354 -0.807 1.00 0.00 H new ATOM 797 N ASN A 52 4.507 -3.023 1.508 1.00 0.00 N ATOM 798 CA ASN A 52 4.166 -1.818 2.241 1.00 0.00 C ATOM 799 C ASN A 52 4.313 -0.610 1.336 1.00 0.00 C ATOM 800 O ASN A 52 5.385 -0.016 1.233 1.00 0.00 O ATOM 801 CB ASN A 52 5.064 -1.673 3.470 1.00 0.00 C ATOM 802 CG ASN A 52 5.358 -3.005 4.138 1.00 0.00 C ATOM 803 OD1 ASN A 52 6.434 -3.202 4.705 1.00 0.00 O ATOM 804 ND2 ASN A 52 4.405 -3.928 4.075 1.00 0.00 N ATOM 0 H ASN A 52 5.490 -3.288 1.566 1.00 0.00 H new ATOM 0 HA ASN A 52 3.131 -1.887 2.577 1.00 0.00 H new ATOM 0 HB2 ASN A 52 6.003 -1.203 3.176 1.00 0.00 H new ATOM 0 HB3 ASN A 52 4.585 -1.008 4.189 1.00 0.00 H new ATOM 0 HD21 ASN A 52 4.550 -4.841 4.506 1.00 0.00 H new ATOM 0 HD22 ASN A 52 3.528 -3.724 3.596 1.00 0.00 H new ATOM 811 N VAL A 53 3.223 -0.274 0.663 1.00 0.00 N ATOM 812 CA VAL A 53 3.218 0.824 -0.288 1.00 0.00 C ATOM 813 C VAL A 53 2.937 2.152 0.395 1.00 0.00 C ATOM 814 O VAL A 53 1.791 2.473 0.715 1.00 0.00 O ATOM 815 CB VAL A 53 2.169 0.599 -1.392 1.00 0.00 C ATOM 816 CG1 VAL A 53 2.347 1.608 -2.517 1.00 0.00 C ATOM 817 CG2 VAL A 53 2.249 -0.822 -1.924 1.00 0.00 C ATOM 0 H VAL A 53 2.326 -0.750 0.760 1.00 0.00 H new ATOM 0 HA VAL A 53 4.212 0.856 -0.734 1.00 0.00 H new ATOM 0 HB VAL A 53 1.179 0.745 -0.959 1.00 0.00 H new ATOM 0 HG11 VAL A 53 1.596 1.431 -3.287 1.00 0.00 H new ATOM 0 HG12 VAL A 53 2.231 2.617 -2.122 1.00 0.00 H new ATOM 0 HG13 VAL A 53 3.342 1.499 -2.949 1.00 0.00 H new ATOM 0 HG21 VAL A 53 1.500 -0.961 -2.703 1.00 0.00 H new ATOM 0 HG22 VAL A 53 3.241 -1.000 -2.339 1.00 0.00 H new ATOM 0 HG23 VAL A 53 2.063 -1.525 -1.112 1.00 0.00 H new ATOM 827 N MET A 54 3.987 2.943 0.564 1.00 0.00 N ATOM 828 CA MET A 54 3.865 4.255 1.176 1.00 0.00 C ATOM 829 C MET A 54 3.461 5.283 0.134 1.00 0.00 C ATOM 830 O MET A 54 3.585 5.043 -1.065 1.00 0.00 O ATOM 831 CB MET A 54 5.190 4.663 1.826 1.00 0.00 C ATOM 832 CG MET A 54 5.588 3.785 3.001 1.00 0.00 C ATOM 833 SD MET A 54 7.358 3.449 3.048 1.00 0.00 S ATOM 834 CE MET A 54 7.373 1.817 3.787 1.00 0.00 C ATOM 0 H MET A 54 4.936 2.696 0.284 1.00 0.00 H new ATOM 0 HA MET A 54 3.095 4.209 1.946 1.00 0.00 H new ATOM 0 HB2 MET A 54 5.979 4.629 1.075 1.00 0.00 H new ATOM 0 HB3 MET A 54 5.116 5.696 2.164 1.00 0.00 H new ATOM 0 HG2 MET A 54 5.290 4.271 3.930 1.00 0.00 H new ATOM 0 HG3 MET A 54 5.044 2.842 2.945 1.00 0.00 H new ATOM 0 HE1 MET A 54 8.402 1.470 3.883 1.00 0.00 H new ATOM 0 HE2 MET A 54 6.911 1.860 4.773 1.00 0.00 H new ATOM 0 HE3 MET A 54 6.815 1.126 3.155 1.00 0.00 H new ATOM 844 N VAL A 55 2.933 6.412 0.593 1.00 0.00 N ATOM 845 CA VAL A 55 2.482 7.463 -0.310 1.00 0.00 C ATOM 846 C VAL A 55 2.852 8.844 0.223 1.00 0.00 C ATOM 847 O VAL A 55 2.779 9.095 1.426 1.00 0.00 O ATOM 848 CB VAL A 55 0.955 7.388 -0.533 1.00 0.00 C ATOM 849 CG1 VAL A 55 0.517 5.949 -0.744 1.00 0.00 C ATOM 850 CG2 VAL A 55 0.199 8.005 0.634 1.00 0.00 C ATOM 0 H VAL A 55 2.807 6.622 1.583 1.00 0.00 H new ATOM 0 HA VAL A 55 2.987 7.307 -1.263 1.00 0.00 H new ATOM 0 HB VAL A 55 0.719 7.961 -1.430 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.561 5.916 -0.899 1.00 0.00 H new ATOM 0 HG12 VAL A 55 1.022 5.539 -1.619 1.00 0.00 H new ATOM 0 HG13 VAL A 55 0.775 5.358 0.134 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -0.873 7.938 0.449 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.444 7.468 1.551 1.00 0.00 H new ATOM 0 HG23 VAL A 55 0.484 9.052 0.740 1.00 0.00 H new ATOM 860 N VAL A 56 3.256 9.736 -0.677 1.00 0.00 N ATOM 861 CA VAL A 56 3.621 11.092 -0.281 1.00 0.00 C ATOM 862 C VAL A 56 2.421 12.025 -0.374 1.00 0.00 C ATOM 863 O VAL A 56 2.039 12.456 -1.462 1.00 0.00 O ATOM 864 CB VAL A 56 4.762 11.661 -1.145 1.00 0.00 C ATOM 865 CG1 VAL A 56 5.649 12.569 -0.309 1.00 0.00 C ATOM 866 CG2 VAL A 56 5.573 10.544 -1.781 1.00 0.00 C ATOM 0 H VAL A 56 3.338 9.547 -1.676 1.00 0.00 H new ATOM 0 HA VAL A 56 3.965 11.031 0.752 1.00 0.00 H new ATOM 0 HB VAL A 56 4.324 12.251 -1.950 1.00 0.00 H new ATOM 0 HG11 VAL A 56 6.452 12.965 -0.930 1.00 0.00 H new ATOM 0 HG12 VAL A 56 5.056 13.393 0.087 1.00 0.00 H new ATOM 0 HG13 VAL A 56 6.076 12.000 0.517 1.00 0.00 H new ATOM 0 HG21 VAL A 56 6.372 10.973 -2.386 1.00 0.00 H new ATOM 0 HG22 VAL A 56 6.005 9.918 -1.000 1.00 0.00 H new ATOM 0 HG23 VAL A 56 4.924 9.938 -2.414 1.00 0.00 H new ATOM 876 N VAL A 57 1.820 12.321 0.773 1.00 0.00 N ATOM 877 CA VAL A 57 0.658 13.200 0.819 1.00 0.00 C ATOM 878 C VAL A 57 0.821 14.287 1.876 1.00 0.00 C ATOM 879 O VAL A 57 1.293 14.031 2.980 1.00 0.00 O ATOM 880 CB VAL A 57 -0.636 12.416 1.101 1.00 0.00 C ATOM 881 CG1 VAL A 57 -0.921 11.430 -0.019 1.00 0.00 C ATOM 882 CG2 VAL A 57 -0.553 11.696 2.435 1.00 0.00 C ATOM 0 H VAL A 57 2.118 11.966 1.682 1.00 0.00 H new ATOM 0 HA VAL A 57 0.584 13.665 -0.164 1.00 0.00 H new ATOM 0 HB VAL A 57 -1.459 13.129 1.150 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -1.840 10.886 0.200 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -1.034 11.970 -0.959 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -0.094 10.725 -0.103 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -1.479 11.149 2.612 1.00 0.00 H new ATOM 0 HG22 VAL A 57 0.284 10.997 2.420 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -0.404 12.424 3.233 1.00 0.00 H new ATOM 892 N GLY A 58 0.442 15.506 1.521 1.00 0.00 N ATOM 893 CA GLY A 58 0.532 16.608 2.456 1.00 0.00 C ATOM 894 C GLY A 58 0.020 17.907 1.869 1.00 0.00 C ATOM 895 O GLY A 58 -0.916 18.511 2.397 1.00 0.00 O ATOM 0 H GLY A 58 0.074 15.752 0.602 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -0.039 16.368 3.353 1.00 0.00 H new ATOM 0 HA3 GLY A 58 1.570 16.736 2.764 1.00 0.00 H new ATOM 899 N ASP A 59 0.638 18.341 0.775 1.00 0.00 N ATOM 900 CA ASP A 59 0.234 19.570 0.102 1.00 0.00 C ATOM 901 C ASP A 59 -0.962 19.312 -0.803 1.00 0.00 C ATOM 902 O ASP A 59 -1.550 20.241 -1.359 1.00 0.00 O ATOM 903 CB ASP A 59 1.397 20.137 -0.714 1.00 0.00 C ATOM 904 CG ASP A 59 1.205 21.601 -1.058 1.00 0.00 C ATOM 905 OD1 ASP A 59 0.591 21.888 -2.108 1.00 0.00 O ATOM 906 OD2 ASP A 59 1.668 22.460 -0.279 1.00 0.00 O ATOM 0 H ASP A 59 1.422 17.859 0.335 1.00 0.00 H new ATOM 0 HA ASP A 59 -0.052 20.299 0.860 1.00 0.00 H new ATOM 0 HB2 ASP A 59 2.323 20.018 -0.152 1.00 0.00 H new ATOM 0 HB3 ASP A 59 1.506 19.562 -1.634 1.00 0.00 H new ATOM 911 N ALA A 60 -1.311 18.040 -0.947 1.00 0.00 N ATOM 912 CA ALA A 60 -2.441 17.634 -1.770 1.00 0.00 C ATOM 913 C ALA A 60 -3.762 18.102 -1.163 1.00 0.00 C ATOM 914 O ALA A 60 -3.854 19.206 -0.624 1.00 0.00 O ATOM 915 CB ALA A 60 -2.431 16.125 -1.945 1.00 0.00 C ATOM 0 H ALA A 60 -0.821 17.265 -0.499 1.00 0.00 H new ATOM 0 HA ALA A 60 -2.346 18.105 -2.748 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.278 15.825 -2.562 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -1.503 15.821 -2.430 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -2.504 15.645 -0.969 1.00 0.00 H new ATOM 921 N GLU A 61 -4.778 17.250 -1.240 1.00 0.00 N ATOM 922 CA GLU A 61 -6.094 17.575 -0.704 1.00 0.00 C ATOM 923 C GLU A 61 -6.787 16.327 -0.179 1.00 0.00 C ATOM 924 O GLU A 61 -6.146 15.301 0.053 1.00 0.00 O ATOM 925 CB GLU A 61 -6.957 18.232 -1.785 1.00 0.00 C ATOM 926 CG GLU A 61 -6.629 17.768 -3.195 1.00 0.00 C ATOM 927 CD GLU A 61 -6.914 18.828 -4.240 1.00 0.00 C ATOM 928 OE1 GLU A 61 -7.905 19.570 -4.078 1.00 0.00 O ATOM 929 OE2 GLU A 61 -6.146 18.916 -5.223 1.00 0.00 O ATOM 0 H GLU A 61 -4.715 16.327 -1.670 1.00 0.00 H new ATOM 0 HA GLU A 61 -5.962 18.273 0.123 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -8.006 18.021 -1.578 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -6.832 19.313 -1.730 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -5.577 17.487 -3.245 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -7.209 16.874 -3.423 1.00 0.00 H new ATOM 936 N GLY A 62 -8.101 16.414 -0.004 1.00 0.00 N ATOM 937 CA GLY A 62 -8.858 15.275 0.473 1.00 0.00 C ATOM 938 C GLY A 62 -9.152 14.292 -0.639 1.00 0.00 C ATOM 939 O GLY A 62 -9.957 13.375 -0.476 1.00 0.00 O ATOM 0 H GLY A 62 -8.654 17.252 -0.184 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -8.301 14.773 1.264 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -9.795 15.619 0.912 1.00 0.00 H new ATOM 943 N GLY A 63 -8.488 14.488 -1.775 1.00 0.00 N ATOM 944 CA GLY A 63 -8.685 13.610 -2.913 1.00 0.00 C ATOM 945 C GLY A 63 -8.113 12.227 -2.687 1.00 0.00 C ATOM 946 O GLY A 63 -8.380 11.307 -3.459 1.00 0.00 O ATOM 0 H GLY A 63 -7.816 15.241 -1.927 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -9.751 13.528 -3.124 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -8.219 14.052 -3.794 1.00 0.00 H new ATOM 950 N THR A 64 -7.327 12.074 -1.624 1.00 0.00 N ATOM 951 CA THR A 64 -6.735 10.782 -1.304 1.00 0.00 C ATOM 952 C THR A 64 -7.794 9.846 -0.747 1.00 0.00 C ATOM 953 O THR A 64 -7.520 8.683 -0.454 1.00 0.00 O ATOM 954 CB THR A 64 -5.589 10.930 -0.301 1.00 0.00 C ATOM 955 OG1 THR A 64 -6.043 10.689 1.020 1.00 0.00 O ATOM 956 CG2 THR A 64 -4.939 12.295 -0.322 1.00 0.00 C ATOM 0 H THR A 64 -7.088 12.824 -0.975 1.00 0.00 H new ATOM 0 HA THR A 64 -6.329 10.361 -2.224 1.00 0.00 H new ATOM 0 HB THR A 64 -4.847 10.192 -0.606 1.00 0.00 H new ATOM 0 HG1 THR A 64 -5.295 10.787 1.646 1.00 0.00 H new ATOM 0 HG21 THR A 64 -4.136 12.327 0.414 1.00 0.00 H new ATOM 0 HG22 THR A 64 -4.530 12.488 -1.314 1.00 0.00 H new ATOM 0 HG23 THR A 64 -5.682 13.055 -0.081 1.00 0.00 H new ATOM 964 N GLU A 65 -9.010 10.367 -0.608 1.00 0.00 N ATOM 965 CA GLU A 65 -10.136 9.574 -0.142 1.00 0.00 C ATOM 966 C GLU A 65 -10.293 8.340 -1.009 1.00 0.00 C ATOM 967 O GLU A 65 -10.835 7.320 -0.580 1.00 0.00 O ATOM 968 CB GLU A 65 -11.416 10.401 -0.197 1.00 0.00 C ATOM 969 CG GLU A 65 -11.680 11.024 -1.559 1.00 0.00 C ATOM 970 CD GLU A 65 -13.159 11.186 -1.849 1.00 0.00 C ATOM 971 OE1 GLU A 65 -13.857 11.829 -1.038 1.00 0.00 O ATOM 972 OE2 GLU A 65 -13.620 10.667 -2.888 1.00 0.00 O ATOM 0 H GLU A 65 -9.238 11.340 -0.813 1.00 0.00 H new ATOM 0 HA GLU A 65 -9.949 9.270 0.888 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -12.260 9.767 0.073 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -11.360 11.192 0.551 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -11.195 11.999 -1.609 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -11.228 10.403 -2.332 1.00 0.00 H new ATOM 979 N ALA A 66 -9.782 8.444 -2.227 1.00 0.00 N ATOM 980 CA ALA A 66 -9.852 7.352 -3.188 1.00 0.00 C ATOM 981 C ALA A 66 -9.232 6.085 -2.616 1.00 0.00 C ATOM 982 O ALA A 66 -9.696 4.982 -2.894 1.00 0.00 O ATOM 983 CB ALA A 66 -9.159 7.740 -4.484 1.00 0.00 C ATOM 0 H ALA A 66 -9.311 9.279 -2.575 1.00 0.00 H new ATOM 0 HA ALA A 66 -10.903 7.153 -3.399 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -9.220 6.913 -5.191 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -9.647 8.618 -4.909 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -8.112 7.968 -4.283 1.00 0.00 H new ATOM 989 N ALA A 67 -8.228 6.252 -1.758 1.00 0.00 N ATOM 990 CA ALA A 67 -7.571 5.110 -1.132 1.00 0.00 C ATOM 991 C ALA A 67 -8.575 4.294 -0.326 1.00 0.00 C ATOM 992 O ALA A 67 -8.749 3.098 -0.563 1.00 0.00 O ATOM 993 CB ALA A 67 -6.431 5.572 -0.238 1.00 0.00 C ATOM 0 H ALA A 67 -7.855 7.160 -1.483 1.00 0.00 H new ATOM 0 HA ALA A 67 -7.159 4.479 -1.919 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -5.954 4.706 0.220 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -5.699 6.117 -0.834 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -6.822 6.225 0.542 1.00 0.00 H new ATOM 999 N GLU A 68 -9.246 4.953 0.613 1.00 0.00 N ATOM 1000 CA GLU A 68 -10.258 4.295 1.429 1.00 0.00 C ATOM 1001 C GLU A 68 -11.368 3.731 0.552 1.00 0.00 C ATOM 1002 O GLU A 68 -11.933 2.677 0.846 1.00 0.00 O ATOM 1003 CB GLU A 68 -10.844 5.279 2.445 1.00 0.00 C ATOM 1004 CG GLU A 68 -9.853 5.713 3.514 1.00 0.00 C ATOM 1005 CD GLU A 68 -10.271 5.280 4.905 1.00 0.00 C ATOM 1006 OE1 GLU A 68 -11.403 5.613 5.315 1.00 0.00 O ATOM 1007 OE2 GLU A 68 -9.465 4.612 5.586 1.00 0.00 O ATOM 0 H GLU A 68 -9.107 5.941 0.827 1.00 0.00 H new ATOM 0 HA GLU A 68 -9.784 3.473 1.965 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -11.205 6.161 1.917 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -11.707 4.820 2.927 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -8.872 5.295 3.287 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -9.750 6.798 3.490 1.00 0.00 H new ATOM 1014 N GLU A 69 -11.692 4.453 -0.519 1.00 0.00 N ATOM 1015 CA GLU A 69 -12.718 4.013 -1.455 1.00 0.00 C ATOM 1016 C GLU A 69 -12.330 2.678 -2.077 1.00 0.00 C ATOM 1017 O GLU A 69 -13.129 1.743 -2.125 1.00 0.00 O ATOM 1018 CB GLU A 69 -12.924 5.060 -2.551 1.00 0.00 C ATOM 1019 CG GLU A 69 -14.381 5.430 -2.774 1.00 0.00 C ATOM 1020 CD GLU A 69 -14.865 5.075 -4.167 1.00 0.00 C ATOM 1021 OE1 GLU A 69 -14.747 3.894 -4.553 1.00 0.00 O ATOM 1022 OE2 GLU A 69 -15.363 5.979 -4.871 1.00 0.00 O ATOM 0 H GLU A 69 -11.258 5.344 -0.758 1.00 0.00 H new ATOM 0 HA GLU A 69 -13.653 3.888 -0.908 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -12.365 5.959 -2.292 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -12.507 4.683 -3.485 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -14.999 4.918 -2.037 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -14.510 6.500 -2.610 1.00 0.00 H new ATOM 1029 N SER A 70 -11.094 2.608 -2.561 1.00 0.00 N ATOM 1030 CA SER A 70 -10.573 1.393 -3.166 1.00 0.00 C ATOM 1031 C SER A 70 -10.508 0.270 -2.140 1.00 0.00 C ATOM 1032 O SER A 70 -10.527 -0.904 -2.495 1.00 0.00 O ATOM 1033 CB SER A 70 -9.184 1.647 -3.753 1.00 0.00 C ATOM 1034 OG SER A 70 -9.006 0.938 -4.966 1.00 0.00 O ATOM 0 H SER A 70 -10.433 3.385 -2.544 1.00 0.00 H new ATOM 0 HA SER A 70 -11.247 1.093 -3.969 1.00 0.00 H new ATOM 0 HB2 SER A 70 -9.050 2.714 -3.929 1.00 0.00 H new ATOM 0 HB3 SER A 70 -8.422 1.344 -3.036 1.00 0.00 H new ATOM 0 HG SER A 70 -8.392 1.433 -5.547 1.00 0.00 H new ATOM 1040 N LEU A 71 -10.455 0.645 -0.866 1.00 0.00 N ATOM 1041 CA LEU A 71 -10.384 -0.327 0.220 1.00 0.00 C ATOM 1042 C LEU A 71 -11.727 -1.026 0.406 1.00 0.00 C ATOM 1043 O LEU A 71 -11.784 -2.171 0.858 1.00 0.00 O ATOM 1044 CB LEU A 71 -9.968 0.370 1.518 1.00 0.00 C ATOM 1045 CG LEU A 71 -8.622 -0.075 2.104 1.00 0.00 C ATOM 1046 CD1 LEU A 71 -8.564 -1.590 2.246 1.00 0.00 C ATOM 1047 CD2 LEU A 71 -7.474 0.428 1.242 1.00 0.00 C ATOM 0 H LEU A 71 -10.460 1.618 -0.559 1.00 0.00 H new ATOM 0 HA LEU A 71 -9.638 -1.079 -0.036 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -9.928 1.444 1.337 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -10.743 0.201 2.265 1.00 0.00 H new ATOM 0 HG LEU A 71 -8.524 0.360 3.099 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -7.600 -1.880 2.664 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -9.362 -1.924 2.909 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -8.689 -2.052 1.267 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -6.527 0.103 1.672 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -7.572 0.025 0.234 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -7.500 1.517 1.201 1.00 0.00 H new ATOM 1059 N SER A 72 -12.804 -0.335 0.041 1.00 0.00 N ATOM 1060 CA SER A 72 -14.147 -0.897 0.141 1.00 0.00 C ATOM 1061 C SER A 72 -14.299 -2.091 -0.799 1.00 0.00 C ATOM 1062 O SER A 72 -15.206 -2.908 -0.643 1.00 0.00 O ATOM 1063 CB SER A 72 -15.193 0.170 -0.190 1.00 0.00 C ATOM 1064 OG SER A 72 -16.137 -0.311 -1.131 1.00 0.00 O ATOM 0 H SER A 72 -12.772 0.616 -0.327 1.00 0.00 H new ATOM 0 HA SER A 72 -14.303 -1.239 1.164 1.00 0.00 H new ATOM 0 HB2 SER A 72 -15.707 0.474 0.722 1.00 0.00 H new ATOM 0 HB3 SER A 72 -14.699 1.056 -0.588 1.00 0.00 H new ATOM 0 HG SER A 72 -16.794 0.390 -1.323 1.00 0.00 H new ATOM 1070 N GLY A 73 -13.397 -2.178 -1.773 1.00 0.00 N ATOM 1071 CA GLY A 73 -13.423 -3.271 -2.728 1.00 0.00 C ATOM 1072 C GLY A 73 -12.040 -3.583 -3.259 1.00 0.00 C ATOM 1073 O GLY A 73 -11.873 -3.924 -4.430 1.00 0.00 O ATOM 0 H GLY A 73 -12.644 -1.506 -1.918 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -13.840 -4.159 -2.253 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -14.082 -3.014 -3.557 1.00 0.00 H new ATOM 1077 N ILE A 74 -11.052 -3.453 -2.387 1.00 0.00 N ATOM 1078 CA ILE A 74 -9.660 -3.689 -2.746 1.00 0.00 C ATOM 1079 C ILE A 74 -9.385 -5.184 -2.928 1.00 0.00 C ATOM 1080 O ILE A 74 -10.317 -5.975 -3.069 1.00 0.00 O ATOM 1081 CB ILE A 74 -8.719 -3.079 -1.677 1.00 0.00 C ATOM 1082 CG1 ILE A 74 -7.366 -2.705 -2.290 1.00 0.00 C ATOM 1083 CG2 ILE A 74 -8.538 -4.020 -0.494 1.00 0.00 C ATOM 1084 CD1 ILE A 74 -6.960 -1.271 -2.021 1.00 0.00 C ATOM 0 H ILE A 74 -11.191 -3.182 -1.413 1.00 0.00 H new ATOM 0 HA ILE A 74 -9.463 -3.198 -3.699 1.00 0.00 H new ATOM 0 HB ILE A 74 -9.188 -2.168 -1.305 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -6.600 -3.372 -1.895 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -7.406 -2.868 -3.367 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -7.872 -3.561 0.237 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -9.506 -4.214 -0.032 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -8.106 -4.959 -0.839 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -5.993 -1.074 -2.483 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -7.707 -0.597 -2.440 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -6.888 -1.109 -0.946 1.00 0.00 H new ATOM 1096 N GLU A 75 -8.108 -5.561 -2.943 1.00 0.00 N ATOM 1097 CA GLU A 75 -7.721 -6.954 -3.129 1.00 0.00 C ATOM 1098 C GLU A 75 -8.472 -7.868 -2.164 1.00 0.00 C ATOM 1099 O GLU A 75 -8.136 -7.955 -0.983 1.00 0.00 O ATOM 1100 CB GLU A 75 -6.212 -7.108 -2.927 1.00 0.00 C ATOM 1101 CG GLU A 75 -5.424 -7.151 -4.226 1.00 0.00 C ATOM 1102 CD GLU A 75 -5.412 -5.816 -4.945 1.00 0.00 C ATOM 1103 OE1 GLU A 75 -4.547 -4.975 -4.621 1.00 0.00 O ATOM 1104 OE2 GLU A 75 -6.267 -5.612 -5.832 1.00 0.00 O ATOM 0 H GLU A 75 -7.324 -4.919 -2.828 1.00 0.00 H new ATOM 0 HA GLU A 75 -7.982 -7.246 -4.146 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -5.849 -6.279 -2.319 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -6.021 -8.023 -2.366 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -4.399 -7.455 -4.015 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -5.853 -7.909 -4.882 1.00 0.00 H new ATOM 1111 N GLY A 76 -9.501 -8.538 -2.680 1.00 0.00 N ATOM 1112 CA GLY A 76 -10.297 -9.433 -1.859 1.00 0.00 C ATOM 1113 C GLY A 76 -9.476 -10.557 -1.263 1.00 0.00 C ATOM 1114 O GLY A 76 -9.740 -11.002 -0.146 1.00 0.00 O ATOM 0 H GLY A 76 -9.797 -8.476 -3.654 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -10.765 -8.864 -1.056 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -11.101 -9.855 -2.462 1.00 0.00 H new ATOM 1118 N VAL A 77 -8.468 -11.007 -2.002 1.00 0.00 N ATOM 1119 CA VAL A 77 -7.593 -12.074 -1.532 1.00 0.00 C ATOM 1120 C VAL A 77 -6.451 -11.502 -0.709 1.00 0.00 C ATOM 1121 O VAL A 77 -6.080 -12.055 0.323 1.00 0.00 O ATOM 1122 CB VAL A 77 -7.009 -12.888 -2.701 1.00 0.00 C ATOM 1123 CG1 VAL A 77 -6.337 -14.152 -2.186 1.00 0.00 C ATOM 1124 CG2 VAL A 77 -8.092 -13.223 -3.717 1.00 0.00 C ATOM 0 H VAL A 77 -8.237 -10.649 -2.929 1.00 0.00 H new ATOM 0 HA VAL A 77 -8.200 -12.737 -0.915 1.00 0.00 H new ATOM 0 HB VAL A 77 -6.254 -12.281 -3.201 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -5.930 -14.715 -3.026 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -5.530 -13.883 -1.504 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -7.069 -14.764 -1.659 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -7.658 -13.798 -4.535 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -8.874 -13.810 -3.235 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -8.520 -12.301 -4.110 1.00 0.00 H new ATOM 1134 N SER A 78 -5.929 -10.363 -1.148 1.00 0.00 N ATOM 1135 CA SER A 78 -4.839 -9.706 -0.448 1.00 0.00 C ATOM 1136 C SER A 78 -5.374 -8.636 0.492 1.00 0.00 C ATOM 1137 O SER A 78 -5.542 -7.482 0.097 1.00 0.00 O ATOM 1138 CB SER A 78 -3.856 -9.071 -1.440 1.00 0.00 C ATOM 1139 OG SER A 78 -2.923 -8.240 -0.770 1.00 0.00 O ATOM 0 H SER A 78 -6.246 -9.877 -1.987 1.00 0.00 H new ATOM 0 HA SER A 78 -4.314 -10.463 0.134 1.00 0.00 H new ATOM 0 HB2 SER A 78 -3.327 -9.853 -1.984 1.00 0.00 H new ATOM 0 HB3 SER A 78 -4.405 -8.486 -2.178 1.00 0.00 H new ATOM 0 HG SER A 78 -3.104 -7.302 -0.989 1.00 0.00 H new ATOM 1145 N ASN A 79 -5.640 -9.020 1.737 1.00 0.00 N ATOM 1146 CA ASN A 79 -6.096 -8.051 2.725 1.00 0.00 C ATOM 1147 C ASN A 79 -4.913 -7.242 3.190 1.00 0.00 C ATOM 1148 O ASN A 79 -3.832 -7.778 3.432 1.00 0.00 O ATOM 1149 CB ASN A 79 -6.769 -8.709 3.929 1.00 0.00 C ATOM 1150 CG ASN A 79 -7.785 -7.789 4.603 1.00 0.00 C ATOM 1151 OD1 ASN A 79 -8.922 -8.192 4.844 1.00 0.00 O ATOM 1152 ND2 ASN A 79 -7.390 -6.544 4.915 1.00 0.00 N ATOM 0 H ASN A 79 -5.550 -9.976 2.080 1.00 0.00 H new ATOM 0 HA ASN A 79 -6.844 -7.416 2.249 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -7.268 -9.623 3.608 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -6.008 -8.998 4.654 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -8.040 -5.901 5.366 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -6.440 -6.242 4.701 1.00 0.00 H new ATOM 1159 N ILE A 80 -5.117 -5.952 3.302 1.00 0.00 N ATOM 1160 CA ILE A 80 -4.041 -5.062 3.642 1.00 0.00 C ATOM 1161 C ILE A 80 -4.064 -4.644 5.101 1.00 0.00 C ATOM 1162 O ILE A 80 -5.123 -4.451 5.696 1.00 0.00 O ATOM 1163 CB ILE A 80 -4.115 -3.801 2.780 1.00 0.00 C ATOM 1164 CG1 ILE A 80 -4.341 -4.165 1.314 1.00 0.00 C ATOM 1165 CG2 ILE A 80 -2.856 -2.983 2.952 1.00 0.00 C ATOM 1166 CD1 ILE A 80 -4.773 -2.995 0.457 1.00 0.00 C ATOM 0 H ILE A 80 -6.019 -5.498 3.162 1.00 0.00 H new ATOM 0 HA ILE A 80 -3.116 -5.609 3.459 1.00 0.00 H new ATOM 0 HB ILE A 80 -4.963 -3.198 3.106 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -3.420 -4.582 0.906 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -5.099 -4.946 1.255 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -2.917 -2.087 2.335 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -2.748 -2.696 3.998 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -1.993 -3.575 2.648 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -4.914 -3.329 -0.571 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -5.710 -2.591 0.839 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -4.006 -2.221 0.485 1.00 0.00 H new ATOM 1178 N GLU A 81 -2.871 -4.445 5.643 1.00 0.00 N ATOM 1179 CA GLU A 81 -2.721 -3.899 6.973 1.00 0.00 C ATOM 1180 C GLU A 81 -2.753 -2.392 6.829 1.00 0.00 C ATOM 1181 O GLU A 81 -1.721 -1.720 6.859 1.00 0.00 O ATOM 1182 CB GLU A 81 -1.409 -4.360 7.612 1.00 0.00 C ATOM 1183 CG GLU A 81 -1.253 -3.929 9.061 1.00 0.00 C ATOM 1184 CD GLU A 81 -1.766 -4.969 10.038 1.00 0.00 C ATOM 1185 OE1 GLU A 81 -2.997 -5.048 10.230 1.00 0.00 O ATOM 1186 OE2 GLU A 81 -0.934 -5.704 10.612 1.00 0.00 O ATOM 0 H GLU A 81 -1.991 -4.657 5.174 1.00 0.00 H new ATOM 0 HA GLU A 81 -3.522 -4.245 7.627 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -1.350 -5.447 7.557 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -0.574 -3.966 7.033 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -0.201 -3.731 9.266 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -1.790 -2.993 9.217 1.00 0.00 H new ATOM 1193 N VAL A 82 -3.946 -1.897 6.536 1.00 0.00 N ATOM 1194 CA VAL A 82 -4.155 -0.496 6.236 1.00 0.00 C ATOM 1195 C VAL A 82 -4.219 0.336 7.515 1.00 0.00 C ATOM 1196 O VAL A 82 -5.196 1.037 7.784 1.00 0.00 O ATOM 1197 CB VAL A 82 -5.447 -0.332 5.405 1.00 0.00 C ATOM 1198 CG1 VAL A 82 -5.709 1.132 5.084 1.00 0.00 C ATOM 1199 CG2 VAL A 82 -5.354 -1.147 4.127 1.00 0.00 C ATOM 0 H VAL A 82 -4.796 -2.460 6.501 1.00 0.00 H new ATOM 0 HA VAL A 82 -3.310 -0.131 5.652 1.00 0.00 H new ATOM 0 HB VAL A 82 -6.284 -0.700 5.999 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -6.624 1.218 4.498 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -5.817 1.694 6.012 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -4.873 1.534 4.512 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -6.270 -1.024 3.549 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -4.504 -0.803 3.537 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -5.221 -2.200 4.376 1.00 0.00 H new ATOM 1209 N THR A 83 -3.178 0.204 8.326 1.00 0.00 N ATOM 1210 CA THR A 83 -3.079 0.946 9.573 1.00 0.00 C ATOM 1211 C THR A 83 -1.700 1.581 9.736 1.00 0.00 C ATOM 1212 O THR A 83 -1.391 2.135 10.792 1.00 0.00 O ATOM 1213 CB THR A 83 -3.368 0.024 10.759 1.00 0.00 C ATOM 1214 OG1 THR A 83 -4.356 -0.933 10.420 1.00 0.00 O ATOM 1215 CG2 THR A 83 -3.844 0.763 11.989 1.00 0.00 C ATOM 0 H THR A 83 -2.387 -0.413 8.140 1.00 0.00 H new ATOM 0 HA THR A 83 -3.820 1.745 9.545 1.00 0.00 H new ATOM 0 HB THR A 83 -2.417 -0.456 10.991 1.00 0.00 H new ATOM 0 HG1 THR A 83 -4.526 -1.514 11.190 1.00 0.00 H new ATOM 0 HG21 THR A 83 -4.031 0.050 12.792 1.00 0.00 H new ATOM 0 HG22 THR A 83 -3.080 1.474 12.305 1.00 0.00 H new ATOM 0 HG23 THR A 83 -4.765 1.299 11.758 1.00 0.00 H new ATOM 1223 N ASP A 84 -0.836 1.424 8.732 1.00 0.00 N ATOM 1224 CA ASP A 84 0.512 1.963 8.811 1.00 0.00 C ATOM 1225 C ASP A 84 0.543 3.423 8.368 1.00 0.00 C ATOM 1226 O ASP A 84 -0.127 3.805 7.408 1.00 0.00 O ATOM 1227 CB ASP A 84 1.464 1.113 7.969 1.00 0.00 C ATOM 1228 CG ASP A 84 2.916 1.296 8.365 1.00 0.00 C ATOM 1229 OD1 ASP A 84 3.274 2.400 8.827 1.00 0.00 O ATOM 1230 OD2 ASP A 84 3.698 0.333 8.212 1.00 0.00 O ATOM 0 H ASP A 84 -1.048 0.932 7.864 1.00 0.00 H new ATOM 0 HA ASP A 84 0.842 1.928 9.849 1.00 0.00 H new ATOM 0 HB2 ASP A 84 1.193 0.062 8.071 1.00 0.00 H new ATOM 0 HB3 ASP A 84 1.343 1.373 6.917 1.00 0.00 H new ATOM 1235 N VAL A 85 1.326 4.232 9.074 1.00 0.00 N ATOM 1236 CA VAL A 85 1.425 5.655 8.776 1.00 0.00 C ATOM 1237 C VAL A 85 2.821 6.195 9.091 1.00 0.00 C ATOM 1238 O VAL A 85 3.603 5.552 9.794 1.00 0.00 O ATOM 1239 CB VAL A 85 0.374 6.457 9.570 1.00 0.00 C ATOM 1240 CG1 VAL A 85 0.799 6.619 11.023 1.00 0.00 C ATOM 1241 CG2 VAL A 85 0.126 7.811 8.923 1.00 0.00 C ATOM 0 H VAL A 85 1.902 3.925 9.858 1.00 0.00 H new ATOM 0 HA VAL A 85 1.237 5.774 7.709 1.00 0.00 H new ATOM 0 HB VAL A 85 -0.562 5.898 9.553 1.00 0.00 H new ATOM 0 HG11 VAL A 85 0.042 7.188 11.562 1.00 0.00 H new ATOM 0 HG12 VAL A 85 0.910 5.636 11.481 1.00 0.00 H new ATOM 0 HG13 VAL A 85 1.751 7.149 11.067 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -0.619 8.359 9.500 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.056 8.379 8.899 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -0.237 7.667 7.906 1.00 0.00 H new ATOM 1251 N ARG A 86 3.127 7.375 8.555 1.00 0.00 N ATOM 1252 CA ARG A 86 4.428 8.010 8.760 1.00 0.00 C ATOM 1253 C ARG A 86 4.291 9.531 8.753 1.00 0.00 C ATOM 1254 O ARG A 86 4.436 10.168 7.712 1.00 0.00 O ATOM 1255 CB ARG A 86 5.410 7.592 7.659 1.00 0.00 C ATOM 1256 CG ARG A 86 5.589 6.090 7.514 1.00 0.00 C ATOM 1257 CD ARG A 86 7.048 5.691 7.662 1.00 0.00 C ATOM 1258 NE ARG A 86 7.246 4.255 7.477 1.00 0.00 N ATOM 1259 CZ ARG A 86 8.182 3.551 8.108 1.00 0.00 C ATOM 1260 NH1 ARG A 86 9.004 4.146 8.961 1.00 0.00 N ATOM 1261 NH2 ARG A 86 8.296 2.248 7.885 1.00 0.00 N ATOM 0 H ARG A 86 2.487 7.914 7.972 1.00 0.00 H new ATOM 0 HA ARG A 86 4.809 7.686 9.728 1.00 0.00 H new ATOM 0 HB2 ARG A 86 5.065 7.998 6.708 1.00 0.00 H new ATOM 0 HB3 ARG A 86 6.381 8.043 7.865 1.00 0.00 H new ATOM 0 HG2 ARG A 86 4.991 5.576 8.267 1.00 0.00 H new ATOM 0 HG3 ARG A 86 5.219 5.770 6.540 1.00 0.00 H new ATOM 0 HD2 ARG A 86 7.648 6.236 6.934 1.00 0.00 H new ATOM 0 HD3 ARG A 86 7.405 5.981 8.650 1.00 0.00 H new ATOM 0 HE ARG A 86 6.632 3.765 6.827 1.00 0.00 H new ATOM 0 HH11 ARG A 86 8.920 5.147 9.136 1.00 0.00 H new ATOM 0 HH12 ARG A 86 9.720 3.602 9.443 1.00 0.00 H new ATOM 0 HH21 ARG A 86 7.666 1.786 7.230 1.00 0.00 H new ATOM 0 HH22 ARG A 86 9.014 1.709 8.369 1.00 0.00 H new ATOM 1275 N ARG A 87 4.006 10.110 9.914 1.00 0.00 N ATOM 1276 CA ARG A 87 3.840 11.556 10.021 1.00 0.00 C ATOM 1277 C ARG A 87 5.188 12.274 10.079 1.00 0.00 C ATOM 1278 O ARG A 87 5.664 12.624 11.159 1.00 0.00 O ATOM 1279 CB ARG A 87 3.017 11.902 11.263 1.00 0.00 C ATOM 1280 CG ARG A 87 1.578 11.427 11.183 1.00 0.00 C ATOM 1281 CD ARG A 87 1.444 9.985 11.637 1.00 0.00 C ATOM 1282 NE ARG A 87 0.340 9.806 12.577 1.00 0.00 N ATOM 1283 CZ ARG A 87 0.499 9.713 13.894 1.00 0.00 C ATOM 1284 NH1 ARG A 87 1.712 9.782 14.426 1.00 0.00 N ATOM 1285 NH2 ARG A 87 -0.556 9.552 14.680 1.00 0.00 N ATOM 0 H ARG A 87 3.885 9.604 10.791 1.00 0.00 H new ATOM 0 HA ARG A 87 3.314 11.895 9.128 1.00 0.00 H new ATOM 0 HB2 ARG A 87 3.490 11.458 12.139 1.00 0.00 H new ATOM 0 HB3 ARG A 87 3.028 12.982 11.408 1.00 0.00 H new ATOM 0 HG2 ARG A 87 0.948 12.065 11.803 1.00 0.00 H new ATOM 0 HG3 ARG A 87 1.218 11.522 10.158 1.00 0.00 H new ATOM 0 HD2 ARG A 87 1.288 9.345 10.769 1.00 0.00 H new ATOM 0 HD3 ARG A 87 2.374 9.665 12.106 1.00 0.00 H new ATOM 0 HE ARG A 87 -0.607 9.749 12.202 1.00 0.00 H new ATOM 0 HH11 ARG A 87 2.526 9.907 13.825 1.00 0.00 H new ATOM 0 HH12 ARG A 87 1.831 9.710 15.437 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -1.491 9.499 14.275 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -0.433 9.481 15.690 1.00 0.00 H new ATOM 1299 N LEU A 88 5.802 12.494 8.916 1.00 0.00 N ATOM 1300 CA LEU A 88 7.081 13.198 8.862 1.00 0.00 C ATOM 1301 C LEU A 88 6.868 14.704 8.855 1.00 0.00 C ATOM 1302 O LEU A 88 6.755 15.316 7.790 1.00 0.00 O ATOM 1303 CB LEU A 88 7.900 12.804 7.631 1.00 0.00 C ATOM 1304 CG LEU A 88 7.336 11.663 6.789 1.00 0.00 C ATOM 1305 CD1 LEU A 88 8.106 11.551 5.483 1.00 0.00 C ATOM 1306 CD2 LEU A 88 7.391 10.359 7.563 1.00 0.00 C ATOM 0 H LEU A 88 5.439 12.199 8.010 1.00 0.00 H new ATOM 0 HA LEU A 88 7.636 12.908 9.754 1.00 0.00 H new ATOM 0 HB2 LEU A 88 8.006 13.682 6.993 1.00 0.00 H new ATOM 0 HB3 LEU A 88 8.902 12.526 7.959 1.00 0.00 H new ATOM 0 HG LEU A 88 6.292 11.875 6.557 1.00 0.00 H new ATOM 0 HD11 LEU A 88 7.697 10.734 4.888 1.00 0.00 H new ATOM 0 HD12 LEU A 88 8.017 12.484 4.927 1.00 0.00 H new ATOM 0 HD13 LEU A 88 9.157 11.354 5.696 1.00 0.00 H new ATOM 0 HD21 LEU A 88 6.985 9.554 6.950 1.00 0.00 H new ATOM 0 HD22 LEU A 88 8.425 10.132 7.821 1.00 0.00 H new ATOM 0 HD23 LEU A 88 6.802 10.452 8.475 1.00 0.00 H new ATOM 1318 N MET A 89 6.813 15.294 10.042 1.00 0.00 N ATOM 1319 CA MET A 89 6.614 16.732 10.176 1.00 0.00 C ATOM 1320 C MET A 89 7.950 17.461 10.272 1.00 0.00 C ATOM 1321 O MET A 89 7.952 18.706 10.175 1.00 0.00 O ATOM 1322 CB MET A 89 5.762 17.039 11.409 1.00 0.00 C ATOM 1323 CG MET A 89 4.418 17.667 11.077 1.00 0.00 C ATOM 1324 SD MET A 89 3.172 17.357 12.344 1.00 0.00 S ATOM 1325 CE MET A 89 2.934 15.592 12.162 1.00 0.00 C ATOM 1326 OXT MET A 89 8.984 16.781 10.442 1.00 0.00 O ATOM 0 H MET A 89 6.904 14.798 10.928 1.00 0.00 H new ATOM 0 HA MET A 89 6.092 17.084 9.286 1.00 0.00 H new ATOM 0 HB2 MET A 89 5.595 16.116 11.965 1.00 0.00 H new ATOM 0 HB3 MET A 89 6.316 17.711 12.065 1.00 0.00 H new ATOM 0 HG2 MET A 89 4.545 18.743 10.954 1.00 0.00 H new ATOM 0 HG3 MET A 89 4.065 17.276 10.123 1.00 0.00 H new ATOM 0 HE1 MET A 89 1.947 15.318 12.535 1.00 0.00 H new ATOM 0 HE2 MET A 89 3.013 15.321 11.109 1.00 0.00 H new ATOM 0 HE3 MET A 89 3.697 15.061 12.731 1.00 0.00 H new TER 1336 MET A 89