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 Set 1.1: A 7 THR OG1 : rot 180:sc= -1.56! USER MOD Set 1.2: A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ -157:sc=-0.00932 (180deg=-0.224) USER MOD Single : A 11 MET CE :methyl -166:sc= -1.92 (180deg=-2.34) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 168:sc= -1.1 (180deg=-1.39) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=-0.051) USER MOD Single : A 34 THR OG1 : rot -61:sc= -1.39 USER MOD Single : A 37 HIS : no HD1:sc= -3.55! C(o=-3.6!,f=-6.1!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -7.47! C(o=-7.5!,f=-5.7!) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot -46:sc= 1.2 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 76:sc= -0.659 USER MOD Single : A 79 ASN : amide:sc= -3.11! K(o=-3.1!,f=-0.04) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 MET CE :methyl -172:sc= 0 (180deg=-0.121) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 10.000 17.748 8.035 1.00 0.00 N ATOM 2 CA MET A 1 8.997 18.138 9.060 1.00 0.00 C ATOM 3 C MET A 1 7.772 18.783 8.420 1.00 0.00 C ATOM 4 O MET A 1 7.462 19.947 8.676 1.00 0.00 O ATOM 5 CB MET A 1 9.651 19.113 10.039 1.00 0.00 C ATOM 6 CG MET A 1 9.271 18.864 11.489 1.00 0.00 C ATOM 7 SD MET A 1 10.522 19.452 12.648 1.00 0.00 S ATOM 8 CE MET A 1 11.449 17.947 12.940 1.00 0.00 C ATOM 0 H1 MET A 1 10.821 17.312 8.501 1.00 0.00 H new ATOM 0 H2 MET A 1 9.575 17.066 7.375 1.00 0.00 H new ATOM 0 H3 MET A 1 10.307 18.592 7.511 1.00 0.00 H new ATOM 0 HA MET A 1 8.661 17.244 9.585 1.00 0.00 H new ATOM 0 HB2 MET A 1 10.734 19.044 9.939 1.00 0.00 H new ATOM 0 HB3 MET A 1 9.370 20.131 9.768 1.00 0.00 H new ATOM 0 HG2 MET A 1 8.323 19.359 11.702 1.00 0.00 H new ATOM 0 HG3 MET A 1 9.114 17.796 11.641 1.00 0.00 H new ATOM 0 HE1 MET A 1 12.260 18.149 13.639 1.00 0.00 H new ATOM 0 HE2 MET A 1 10.788 17.189 13.360 1.00 0.00 H new ATOM 0 HE3 MET A 1 11.863 17.586 11.998 1.00 0.00 H new ATOM 20 N GLY A 2 7.082 18.017 7.585 1.00 0.00 N ATOM 21 CA GLY A 2 5.890 18.523 6.924 1.00 0.00 C ATOM 22 C GLY A 2 5.331 17.543 5.914 1.00 0.00 C ATOM 23 O GLY A 2 4.334 17.825 5.248 1.00 0.00 O ATOM 0 H GLY A 2 7.325 17.054 7.352 1.00 0.00 H new ATOM 0 HA2 GLY A 2 5.129 18.744 7.672 1.00 0.00 H new ATOM 0 HA3 GLY A 2 6.126 19.462 6.423 1.00 0.00 H new ATOM 27 N ASP A 3 6.021 16.419 5.748 1.00 0.00 N ATOM 28 CA ASP A 3 5.598 15.391 4.801 1.00 0.00 C ATOM 29 C ASP A 3 4.740 14.325 5.472 1.00 0.00 C ATOM 30 O ASP A 3 5.145 13.727 6.466 1.00 0.00 O ATOM 31 CB ASP A 3 6.814 14.733 4.149 1.00 0.00 C ATOM 32 CG ASP A 3 7.908 15.730 3.822 1.00 0.00 C ATOM 33 OD1 ASP A 3 7.847 16.343 2.734 1.00 0.00 O ATOM 34 OD2 ASP A 3 8.827 15.897 4.651 1.00 0.00 O ATOM 0 H ASP A 3 6.876 16.196 6.257 1.00 0.00 H new ATOM 0 HA ASP A 3 4.996 15.882 4.037 1.00 0.00 H new ATOM 0 HB2 ASP A 3 7.211 13.969 4.817 1.00 0.00 H new ATOM 0 HB3 ASP A 3 6.503 14.227 3.235 1.00 0.00 H new ATOM 39 N VAL A 4 3.567 14.067 4.909 1.00 0.00 N ATOM 40 CA VAL A 4 2.686 13.031 5.437 1.00 0.00 C ATOM 41 C VAL A 4 2.855 11.733 4.653 1.00 0.00 C ATOM 42 O VAL A 4 2.375 11.611 3.527 1.00 0.00 O ATOM 43 CB VAL A 4 1.210 13.460 5.399 1.00 0.00 C ATOM 44 CG1 VAL A 4 0.393 12.637 6.383 1.00 0.00 C ATOM 45 CG2 VAL A 4 1.073 14.946 5.696 1.00 0.00 C ATOM 0 H VAL A 4 3.204 14.557 4.091 1.00 0.00 H new ATOM 0 HA VAL A 4 2.969 12.871 6.477 1.00 0.00 H new ATOM 0 HB VAL A 4 0.825 13.279 4.396 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -0.649 12.953 6.344 1.00 0.00 H new ATOM 0 HG12 VAL A 4 0.462 11.581 6.120 1.00 0.00 H new ATOM 0 HG13 VAL A 4 0.780 12.786 7.391 1.00 0.00 H new ATOM 0 HG21 VAL A 4 0.021 15.228 5.664 1.00 0.00 H new ATOM 0 HG22 VAL A 4 1.475 15.158 6.687 1.00 0.00 H new ATOM 0 HG23 VAL A 4 1.625 15.518 4.950 1.00 0.00 H new ATOM 55 N VAL A 5 3.553 10.769 5.248 1.00 0.00 N ATOM 56 CA VAL A 5 3.809 9.493 4.588 1.00 0.00 C ATOM 57 C VAL A 5 2.942 8.376 5.168 1.00 0.00 C ATOM 58 O VAL A 5 3.103 7.993 6.324 1.00 0.00 O ATOM 59 CB VAL A 5 5.293 9.090 4.715 1.00 0.00 C ATOM 60 CG1 VAL A 5 5.511 7.661 4.237 1.00 0.00 C ATOM 61 CG2 VAL A 5 6.175 10.059 3.944 1.00 0.00 C ATOM 0 H VAL A 5 3.950 10.847 6.184 1.00 0.00 H new ATOM 0 HA VAL A 5 3.557 9.628 3.536 1.00 0.00 H new ATOM 0 HB VAL A 5 5.571 9.137 5.768 1.00 0.00 H new ATOM 0 HG11 VAL A 5 6.565 7.401 4.337 1.00 0.00 H new ATOM 0 HG12 VAL A 5 4.911 6.980 4.840 1.00 0.00 H new ATOM 0 HG13 VAL A 5 5.214 7.578 3.192 1.00 0.00 H new ATOM 0 HG21 VAL A 5 7.218 9.760 4.044 1.00 0.00 H new ATOM 0 HG22 VAL A 5 5.894 10.048 2.891 1.00 0.00 H new ATOM 0 HG23 VAL A 5 6.046 11.065 4.343 1.00 0.00 H new ATOM 71 N ALA A 6 2.041 7.838 4.349 1.00 0.00 N ATOM 72 CA ALA A 6 1.193 6.729 4.773 1.00 0.00 C ATOM 73 C ALA A 6 1.791 5.410 4.300 1.00 0.00 C ATOM 74 O ALA A 6 2.694 5.404 3.468 1.00 0.00 O ATOM 75 CB ALA A 6 -0.221 6.900 4.239 1.00 0.00 C ATOM 0 H ALA A 6 1.880 8.151 3.392 1.00 0.00 H new ATOM 0 HA ALA A 6 1.143 6.721 5.862 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -0.837 6.063 4.566 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -0.643 7.831 4.618 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -0.197 6.929 3.150 1.00 0.00 H new ATOM 81 N THR A 7 1.309 4.296 4.843 1.00 0.00 N ATOM 82 CA THR A 7 1.822 2.989 4.444 1.00 0.00 C ATOM 83 C THR A 7 0.718 1.933 4.402 1.00 0.00 C ATOM 84 O THR A 7 -0.033 1.740 5.371 1.00 0.00 O ATOM 85 CB THR A 7 2.948 2.546 5.373 1.00 0.00 C ATOM 86 OG1 THR A 7 3.887 3.591 5.557 1.00 0.00 O ATOM 87 CG2 THR A 7 3.699 1.337 4.861 1.00 0.00 C ATOM 0 H THR A 7 0.575 4.270 5.550 1.00 0.00 H new ATOM 0 HA THR A 7 2.219 3.091 3.434 1.00 0.00 H new ATOM 0 HB THR A 7 2.464 2.283 6.313 1.00 0.00 H new ATOM 0 HG1 THR A 7 4.600 3.288 6.157 1.00 0.00 H new ATOM 0 HG21 THR A 7 4.487 1.072 5.567 1.00 0.00 H new ATOM 0 HG22 THR A 7 3.010 0.499 4.755 1.00 0.00 H new ATOM 0 HG23 THR A 7 4.142 1.567 3.892 1.00 0.00 H new ATOM 95 N ILE A 8 0.662 1.241 3.266 1.00 0.00 N ATOM 96 CA ILE A 8 -0.341 0.217 3.004 1.00 0.00 C ATOM 97 C ILE A 8 0.325 -1.141 2.733 1.00 0.00 C ATOM 98 O ILE A 8 0.967 -1.323 1.700 1.00 0.00 O ATOM 99 CB ILE A 8 -1.190 0.626 1.782 1.00 0.00 C ATOM 100 CG1 ILE A 8 -1.598 2.105 1.880 1.00 0.00 C ATOM 101 CG2 ILE A 8 -2.406 -0.262 1.657 1.00 0.00 C ATOM 102 CD1 ILE A 8 -2.826 2.360 2.735 1.00 0.00 C ATOM 0 H ILE A 8 1.318 1.378 2.497 1.00 0.00 H new ATOM 0 HA ILE A 8 -0.978 0.123 3.883 1.00 0.00 H new ATOM 0 HB ILE A 8 -0.586 0.499 0.884 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -0.762 2.674 2.287 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -1.784 2.486 0.876 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -2.991 0.043 0.789 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -2.089 -1.298 1.535 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -3.016 -0.172 2.556 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -3.044 3.428 2.750 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -3.678 1.822 2.318 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -2.640 2.013 3.752 1.00 0.00 H new ATOM 114 N LYS A 9 0.221 -2.072 3.687 1.00 0.00 N ATOM 115 CA LYS A 9 0.861 -3.390 3.559 1.00 0.00 C ATOM 116 C LYS A 9 -0.109 -4.461 3.060 1.00 0.00 C ATOM 117 O LYS A 9 -0.811 -5.090 3.847 1.00 0.00 O ATOM 118 CB LYS A 9 1.451 -3.828 4.896 1.00 0.00 C ATOM 119 CG LYS A 9 1.623 -2.696 5.900 1.00 0.00 C ATOM 120 CD LYS A 9 3.081 -2.325 6.091 1.00 0.00 C ATOM 121 CE LYS A 9 3.806 -3.331 6.971 1.00 0.00 C ATOM 122 NZ LYS A 9 3.351 -3.260 8.387 1.00 0.00 N ATOM 0 H LYS A 9 -0.298 -1.940 4.555 1.00 0.00 H new ATOM 0 HA LYS A 9 1.654 -3.284 2.819 1.00 0.00 H new ATOM 0 HB2 LYS A 9 0.807 -4.592 5.332 1.00 0.00 H new ATOM 0 HB3 LYS A 9 2.421 -4.292 4.718 1.00 0.00 H new ATOM 0 HG2 LYS A 9 1.068 -1.822 5.560 1.00 0.00 H new ATOM 0 HG3 LYS A 9 1.195 -2.992 6.858 1.00 0.00 H new ATOM 0 HD2 LYS A 9 3.573 -2.270 5.120 1.00 0.00 H new ATOM 0 HD3 LYS A 9 3.149 -1.334 6.539 1.00 0.00 H new ATOM 0 HE2 LYS A 9 3.639 -4.337 6.586 1.00 0.00 H new ATOM 0 HE3 LYS A 9 4.879 -3.146 6.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 4.091 -3.644 9.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 3.164 -2.269 8.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 2.480 -3.817 8.500 1.00 0.00 H new ATOM 136 N VAL A 10 -0.106 -4.700 1.758 1.00 0.00 N ATOM 137 CA VAL A 10 -1.025 -5.670 1.152 1.00 0.00 C ATOM 138 C VAL A 10 -0.396 -7.061 1.032 1.00 0.00 C ATOM 139 O VAL A 10 0.759 -7.195 0.629 1.00 0.00 O ATOM 140 CB VAL A 10 -1.517 -5.181 -0.239 1.00 0.00 C ATOM 141 CG1 VAL A 10 -1.138 -3.722 -0.454 1.00 0.00 C ATOM 142 CG2 VAL A 10 -0.982 -6.048 -1.373 1.00 0.00 C ATOM 0 H VAL A 10 0.519 -4.240 1.096 1.00 0.00 H new ATOM 0 HA VAL A 10 -1.883 -5.750 1.819 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.603 -5.270 -0.251 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -1.490 -3.395 -1.433 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.598 -3.109 0.321 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -0.054 -3.616 -0.404 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -1.351 -5.669 -2.326 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.108 -6.020 -1.369 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -1.319 -7.075 -1.236 1.00 0.00 H new ATOM 152 N MET A 11 -1.166 -8.096 1.386 1.00 0.00 N ATOM 153 CA MET A 11 -0.680 -9.473 1.299 1.00 0.00 C ATOM 154 C MET A 11 -1.811 -10.463 0.966 1.00 0.00 C ATOM 155 O MET A 11 -2.784 -10.601 1.715 1.00 0.00 O ATOM 156 CB MET A 11 0.043 -9.871 2.601 1.00 0.00 C ATOM 157 CG MET A 11 -0.855 -10.430 3.695 1.00 0.00 C ATOM 158 SD MET A 11 -0.233 -11.974 4.388 1.00 0.00 S ATOM 159 CE MET A 11 -0.346 -13.059 2.968 1.00 0.00 C ATOM 0 H MET A 11 -2.121 -8.005 1.733 1.00 0.00 H new ATOM 0 HA MET A 11 0.034 -9.521 0.477 1.00 0.00 H new ATOM 0 HB2 MET A 11 0.804 -10.614 2.363 1.00 0.00 H new ATOM 0 HB3 MET A 11 0.563 -8.996 2.991 1.00 0.00 H new ATOM 0 HG2 MET A 11 -0.952 -9.692 4.492 1.00 0.00 H new ATOM 0 HG3 MET A 11 -1.854 -10.595 3.290 1.00 0.00 H new ATOM 0 HE1 MET A 11 -0.237 -14.094 3.292 1.00 0.00 H new ATOM 0 HE2 MET A 11 -1.315 -12.929 2.487 1.00 0.00 H new ATOM 0 HE3 MET A 11 0.446 -12.815 2.260 1.00 0.00 H new ATOM 169 N PRO A 12 -1.691 -11.173 -0.177 1.00 0.00 N ATOM 170 CA PRO A 12 -2.683 -12.166 -0.616 1.00 0.00 C ATOM 171 C PRO A 12 -2.676 -13.409 0.265 1.00 0.00 C ATOM 172 O PRO A 12 -1.661 -14.094 0.386 1.00 0.00 O ATOM 173 CB PRO A 12 -2.242 -12.519 -2.046 1.00 0.00 C ATOM 174 CG PRO A 12 -1.281 -11.443 -2.425 1.00 0.00 C ATOM 175 CD PRO A 12 -0.600 -11.053 -1.146 1.00 0.00 C ATOM 0 HA PRO A 12 -3.699 -11.776 -0.560 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -1.771 -13.501 -2.084 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -3.093 -12.547 -2.727 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -0.561 -11.800 -3.161 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -1.798 -10.593 -2.871 1.00 0.00 H new ATOM 0 HD2 PRO A 12 0.233 -11.715 -0.908 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -0.200 -10.040 -1.188 1.00 0.00 H new ATOM 183 N GLU A 13 -3.812 -13.672 0.897 1.00 0.00 N ATOM 184 CA GLU A 13 -3.957 -14.821 1.782 1.00 0.00 C ATOM 185 C GLU A 13 -3.635 -16.119 1.055 1.00 0.00 C ATOM 186 O GLU A 13 -3.209 -17.097 1.670 1.00 0.00 O ATOM 187 CB GLU A 13 -5.379 -14.879 2.345 1.00 0.00 C ATOM 188 CG GLU A 13 -5.541 -14.142 3.665 1.00 0.00 C ATOM 189 CD GLU A 13 -5.171 -14.999 4.859 1.00 0.00 C ATOM 190 OE1 GLU A 13 -5.649 -16.150 4.936 1.00 0.00 O ATOM 191 OE2 GLU A 13 -4.402 -14.518 5.718 1.00 0.00 O ATOM 0 H GLU A 13 -4.653 -13.101 0.812 1.00 0.00 H new ATOM 0 HA GLU A 13 -3.249 -14.704 2.603 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -6.068 -14.455 1.614 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -5.664 -15.922 2.483 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -4.918 -13.248 3.657 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -6.574 -13.809 3.767 1.00 0.00 H new ATOM 198 N SER A 14 -3.871 -16.133 -0.252 1.00 0.00 N ATOM 199 CA SER A 14 -3.612 -17.317 -1.058 1.00 0.00 C ATOM 200 C SER A 14 -2.125 -17.454 -1.368 1.00 0.00 C ATOM 201 O SER A 14 -1.416 -16.455 -1.489 1.00 0.00 O ATOM 202 CB SER A 14 -4.413 -17.259 -2.360 1.00 0.00 C ATOM 203 OG SER A 14 -5.565 -18.082 -2.289 1.00 0.00 O ATOM 0 H SER A 14 -4.241 -15.339 -0.774 1.00 0.00 H new ATOM 0 HA SER A 14 -3.925 -18.189 -0.484 1.00 0.00 H new ATOM 0 HB2 SER A 14 -4.710 -16.230 -2.562 1.00 0.00 H new ATOM 0 HB3 SER A 14 -3.785 -17.579 -3.191 1.00 0.00 H new ATOM 0 HG SER A 14 -6.060 -18.025 -3.133 1.00 0.00 H new ATOM 209 N PRO A 15 -1.632 -18.698 -1.509 1.00 0.00 N ATOM 210 CA PRO A 15 -0.224 -18.951 -1.824 1.00 0.00 C ATOM 211 C PRO A 15 0.152 -18.420 -3.202 1.00 0.00 C ATOM 212 O PRO A 15 1.321 -18.432 -3.588 1.00 0.00 O ATOM 213 CB PRO A 15 -0.110 -20.479 -1.788 1.00 0.00 C ATOM 214 CG PRO A 15 -1.499 -20.972 -2.012 1.00 0.00 C ATOM 215 CD PRO A 15 -2.406 -19.947 -1.390 1.00 0.00 C ATOM 0 HA PRO A 15 0.448 -18.452 -1.126 1.00 0.00 H new ATOM 0 HB2 PRO A 15 0.568 -20.843 -2.560 1.00 0.00 H new ATOM 0 HB3 PRO A 15 0.282 -20.824 -0.831 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -1.707 -21.083 -3.076 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -1.644 -21.951 -1.555 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -3.359 -19.882 -1.914 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -2.630 -20.185 -0.350 1.00 0.00 H new ATOM 223 N ASP A 16 -0.854 -17.967 -3.943 1.00 0.00 N ATOM 224 CA ASP A 16 -0.641 -17.421 -5.275 1.00 0.00 C ATOM 225 C ASP A 16 -0.430 -15.914 -5.209 1.00 0.00 C ATOM 226 O ASP A 16 -0.854 -15.178 -6.101 1.00 0.00 O ATOM 227 CB ASP A 16 -1.834 -17.743 -6.177 1.00 0.00 C ATOM 228 CG ASP A 16 -1.762 -19.145 -6.748 1.00 0.00 C ATOM 229 OD1 ASP A 16 -1.840 -20.112 -5.962 1.00 0.00 O ATOM 230 OD2 ASP A 16 -1.627 -19.277 -7.984 1.00 0.00 O ATOM 0 H ASP A 16 -1.828 -17.968 -3.640 1.00 0.00 H new ATOM 0 HA ASP A 16 0.254 -17.880 -5.694 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -2.757 -17.632 -5.608 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -1.874 -17.022 -6.994 1.00 0.00 H new ATOM 235 N VAL A 17 0.220 -15.458 -4.141 1.00 0.00 N ATOM 236 CA VAL A 17 0.487 -14.036 -3.964 1.00 0.00 C ATOM 237 C VAL A 17 1.482 -13.557 -5.024 1.00 0.00 C ATOM 238 O VAL A 17 2.701 -13.624 -4.848 1.00 0.00 O ATOM 239 CB VAL A 17 0.965 -13.695 -2.521 1.00 0.00 C ATOM 240 CG1 VAL A 17 1.486 -14.926 -1.810 1.00 0.00 C ATOM 241 CG2 VAL A 17 1.998 -12.571 -2.488 1.00 0.00 C ATOM 0 H VAL A 17 0.570 -16.051 -3.389 1.00 0.00 H new ATOM 0 HA VAL A 17 -0.451 -13.498 -4.100 1.00 0.00 H new ATOM 0 HB VAL A 17 0.088 -13.331 -1.986 1.00 0.00 H new ATOM 0 HG11 VAL A 17 1.812 -14.655 -0.806 1.00 0.00 H new ATOM 0 HG12 VAL A 17 0.694 -15.672 -1.746 1.00 0.00 H new ATOM 0 HG13 VAL A 17 2.328 -15.338 -2.366 1.00 0.00 H new ATOM 0 HG21 VAL A 17 2.293 -12.378 -1.457 1.00 0.00 H new ATOM 0 HG22 VAL A 17 2.874 -12.864 -3.067 1.00 0.00 H new ATOM 0 HG23 VAL A 17 1.566 -11.667 -2.917 1.00 0.00 H new ATOM 251 N ASP A 18 0.937 -13.172 -6.171 1.00 0.00 N ATOM 252 CA ASP A 18 1.740 -12.678 -7.284 1.00 0.00 C ATOM 253 C ASP A 18 2.361 -11.342 -6.927 1.00 0.00 C ATOM 254 O ASP A 18 1.680 -10.321 -6.884 1.00 0.00 O ATOM 255 CB ASP A 18 0.881 -12.542 -8.539 1.00 0.00 C ATOM 256 CG ASP A 18 0.566 -13.883 -9.172 1.00 0.00 C ATOM 257 OD1 ASP A 18 1.476 -14.736 -9.239 1.00 0.00 O ATOM 258 OD2 ASP A 18 -0.591 -14.082 -9.600 1.00 0.00 O ATOM 0 H ASP A 18 -0.066 -13.193 -6.356 1.00 0.00 H new ATOM 0 HA ASP A 18 2.537 -13.394 -7.484 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -0.050 -12.035 -8.285 1.00 0.00 H new ATOM 0 HB3 ASP A 18 1.399 -11.914 -9.264 1.00 0.00 H new ATOM 263 N LEU A 19 3.651 -11.367 -6.636 1.00 0.00 N ATOM 264 CA LEU A 19 4.375 -10.168 -6.247 1.00 0.00 C ATOM 265 C LEU A 19 4.347 -9.120 -7.348 1.00 0.00 C ATOM 266 O LEU A 19 3.938 -7.983 -7.121 1.00 0.00 O ATOM 267 CB LEU A 19 5.829 -10.530 -5.921 1.00 0.00 C ATOM 268 CG LEU A 19 6.431 -9.823 -4.706 1.00 0.00 C ATOM 269 CD1 LEU A 19 6.425 -8.314 -4.907 1.00 0.00 C ATOM 270 CD2 LEU A 19 5.679 -10.208 -3.441 1.00 0.00 C ATOM 0 H LEU A 19 4.222 -12.212 -6.662 1.00 0.00 H new ATOM 0 HA LEU A 19 3.887 -9.748 -5.367 1.00 0.00 H new ATOM 0 HB2 LEU A 19 5.889 -11.606 -5.759 1.00 0.00 H new ATOM 0 HB3 LEU A 19 6.445 -10.304 -6.792 1.00 0.00 H new ATOM 0 HG LEU A 19 7.467 -10.143 -4.596 1.00 0.00 H new ATOM 0 HD11 LEU A 19 6.857 -7.829 -4.032 1.00 0.00 H new ATOM 0 HD12 LEU A 19 7.013 -8.062 -5.789 1.00 0.00 H new ATOM 0 HD13 LEU A 19 5.400 -7.969 -5.044 1.00 0.00 H new ATOM 0 HD21 LEU A 19 6.120 -9.696 -2.586 1.00 0.00 H new ATOM 0 HD22 LEU A 19 4.633 -9.918 -3.537 1.00 0.00 H new ATOM 0 HD23 LEU A 19 5.745 -11.286 -3.292 1.00 0.00 H new ATOM 282 N GLU A 20 4.755 -9.516 -8.547 1.00 0.00 N ATOM 283 CA GLU A 20 4.823 -8.586 -9.667 1.00 0.00 C ATOM 284 C GLU A 20 3.433 -8.179 -10.123 1.00 0.00 C ATOM 285 O GLU A 20 3.210 -7.030 -10.506 1.00 0.00 O ATOM 286 CB GLU A 20 5.599 -9.204 -10.828 1.00 0.00 C ATOM 287 CG GLU A 20 5.506 -8.409 -12.121 1.00 0.00 C ATOM 288 CD GLU A 20 6.287 -9.043 -13.255 1.00 0.00 C ATOM 289 OE1 GLU A 20 6.041 -10.231 -13.552 1.00 0.00 O ATOM 290 OE2 GLU A 20 7.143 -8.352 -13.845 1.00 0.00 O ATOM 0 H GLU A 20 5.042 -10.469 -8.768 1.00 0.00 H new ATOM 0 HA GLU A 20 5.347 -7.692 -9.330 1.00 0.00 H new ATOM 0 HB2 GLU A 20 6.647 -9.296 -10.544 1.00 0.00 H new ATOM 0 HB3 GLU A 20 5.227 -10.213 -11.005 1.00 0.00 H new ATOM 0 HG2 GLU A 20 4.460 -8.318 -12.412 1.00 0.00 H new ATOM 0 HG3 GLU A 20 5.878 -7.399 -11.949 1.00 0.00 H new ATOM 297 N ALA A 21 2.496 -9.113 -10.078 1.00 0.00 N ATOM 298 CA ALA A 21 1.126 -8.801 -10.452 1.00 0.00 C ATOM 299 C ALA A 21 0.511 -7.866 -9.421 1.00 0.00 C ATOM 300 O ALA A 21 -0.273 -6.978 -9.756 1.00 0.00 O ATOM 301 CB ALA A 21 0.296 -10.064 -10.605 1.00 0.00 C ATOM 0 H ALA A 21 2.655 -10.079 -9.791 1.00 0.00 H new ATOM 0 HA ALA A 21 1.136 -8.300 -11.420 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -0.723 -9.798 -10.885 1.00 0.00 H new ATOM 0 HB2 ALA A 21 0.732 -10.694 -11.380 1.00 0.00 H new ATOM 0 HB3 ALA A 21 0.283 -10.607 -9.660 1.00 0.00 H new ATOM 307 N LEU A 22 0.896 -8.066 -8.166 1.00 0.00 N ATOM 308 CA LEU A 22 0.437 -7.211 -7.081 1.00 0.00 C ATOM 309 C LEU A 22 0.978 -5.805 -7.279 1.00 0.00 C ATOM 310 O LEU A 22 0.323 -4.820 -6.949 1.00 0.00 O ATOM 311 CB LEU A 22 0.890 -7.767 -5.721 1.00 0.00 C ATOM 312 CG LEU A 22 -0.038 -7.466 -4.530 1.00 0.00 C ATOM 313 CD1 LEU A 22 -1.475 -7.241 -4.983 1.00 0.00 C ATOM 314 CD2 LEU A 22 0.022 -8.593 -3.510 1.00 0.00 C ATOM 0 H LEU A 22 1.526 -8.814 -7.876 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.653 -7.184 -7.091 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.997 -8.848 -5.809 1.00 0.00 H new ATOM 0 HB3 LEU A 22 1.879 -7.366 -5.497 1.00 0.00 H new ATOM 0 HG LEU A 22 0.313 -6.546 -4.063 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.101 -7.031 -4.116 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -1.512 -6.396 -5.670 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.842 -8.135 -5.488 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.640 -8.364 -2.675 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.294 -9.525 -3.978 1.00 0.00 H new ATOM 0 HD23 LEU A 22 1.043 -8.699 -3.145 1.00 0.00 H new ATOM 326 N LYS A 23 2.178 -5.734 -7.841 1.00 0.00 N ATOM 327 CA LYS A 23 2.830 -4.465 -8.126 1.00 0.00 C ATOM 328 C LYS A 23 1.940 -3.594 -8.998 1.00 0.00 C ATOM 329 O LYS A 23 1.758 -2.406 -8.731 1.00 0.00 O ATOM 330 CB LYS A 23 4.164 -4.716 -8.839 1.00 0.00 C ATOM 331 CG LYS A 23 5.388 -4.521 -7.959 1.00 0.00 C ATOM 332 CD LYS A 23 5.875 -5.836 -7.375 1.00 0.00 C ATOM 333 CE LYS A 23 7.349 -6.064 -7.669 1.00 0.00 C ATOM 334 NZ LYS A 23 7.551 -6.933 -8.861 1.00 0.00 N ATOM 0 H LYS A 23 2.724 -6.552 -8.111 1.00 0.00 H new ATOM 0 HA LYS A 23 3.013 -3.948 -7.184 1.00 0.00 H new ATOM 0 HB2 LYS A 23 4.169 -5.734 -9.228 1.00 0.00 H new ATOM 0 HB3 LYS A 23 4.236 -4.047 -9.696 1.00 0.00 H new ATOM 0 HG2 LYS A 23 6.187 -4.064 -8.543 1.00 0.00 H new ATOM 0 HG3 LYS A 23 5.149 -3.830 -7.151 1.00 0.00 H new ATOM 0 HD2 LYS A 23 5.713 -5.839 -6.297 1.00 0.00 H new ATOM 0 HD3 LYS A 23 5.289 -6.658 -7.787 1.00 0.00 H new ATOM 0 HE2 LYS A 23 7.839 -5.104 -7.833 1.00 0.00 H new ATOM 0 HE3 LYS A 23 7.825 -6.521 -6.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 8.550 -6.900 -9.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 7.291 -7.912 -8.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 6.954 -6.595 -9.642 1.00 0.00 H new ATOM 348 N LYS A 24 1.392 -4.196 -10.046 1.00 0.00 N ATOM 349 CA LYS A 24 0.508 -3.484 -10.957 1.00 0.00 C ATOM 350 C LYS A 24 -0.776 -3.082 -10.245 1.00 0.00 C ATOM 351 O LYS A 24 -1.271 -1.967 -10.417 1.00 0.00 O ATOM 352 CB LYS A 24 0.178 -4.352 -12.175 1.00 0.00 C ATOM 353 CG LYS A 24 1.272 -5.344 -12.537 1.00 0.00 C ATOM 354 CD LYS A 24 1.334 -5.584 -14.037 1.00 0.00 C ATOM 355 CE LYS A 24 0.938 -7.008 -14.391 1.00 0.00 C ATOM 356 NZ LYS A 24 1.212 -7.321 -15.821 1.00 0.00 N ATOM 0 H LYS A 24 1.545 -5.176 -10.285 1.00 0.00 H new ATOM 0 HA LYS A 24 1.021 -2.584 -11.296 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -0.745 -4.898 -11.981 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -0.010 -3.704 -13.031 1.00 0.00 H new ATOM 0 HG2 LYS A 24 2.234 -4.969 -12.188 1.00 0.00 H new ATOM 0 HG3 LYS A 24 1.092 -6.289 -12.024 1.00 0.00 H new ATOM 0 HD2 LYS A 24 0.671 -4.884 -14.546 1.00 0.00 H new ATOM 0 HD3 LYS A 24 2.344 -5.386 -14.397 1.00 0.00 H new ATOM 0 HE2 LYS A 24 1.484 -7.705 -13.756 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -0.123 -7.152 -14.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 0.928 -8.301 -16.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 0.671 -6.672 -16.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 2.228 -7.209 -16.012 1.00 0.00 H new ATOM 370 N GLU A 25 -1.318 -4.002 -9.452 1.00 0.00 N ATOM 371 CA GLU A 25 -2.544 -3.738 -8.710 1.00 0.00 C ATOM 372 C GLU A 25 -2.314 -2.648 -7.675 1.00 0.00 C ATOM 373 O GLU A 25 -3.220 -1.894 -7.328 1.00 0.00 O ATOM 374 CB GLU A 25 -3.039 -5.014 -8.029 1.00 0.00 C ATOM 375 CG GLU A 25 -3.327 -6.148 -8.999 1.00 0.00 C ATOM 376 CD GLU A 25 -4.610 -5.937 -9.779 1.00 0.00 C ATOM 377 OE1 GLU A 25 -5.657 -5.695 -9.142 1.00 0.00 O ATOM 378 OE2 GLU A 25 -4.567 -6.011 -11.024 1.00 0.00 O ATOM 0 H GLU A 25 -0.928 -4.933 -9.308 1.00 0.00 H new ATOM 0 HA GLU A 25 -3.305 -3.398 -9.412 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -2.291 -5.345 -7.308 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -3.945 -4.788 -7.467 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -2.494 -6.245 -9.696 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -3.392 -7.086 -8.447 1.00 0.00 H new ATOM 385 N ILE A 26 -1.090 -2.579 -7.181 1.00 0.00 N ATOM 386 CA ILE A 26 -0.724 -1.582 -6.193 1.00 0.00 C ATOM 387 C ILE A 26 -0.916 -0.180 -6.751 1.00 0.00 C ATOM 388 O ILE A 26 -1.469 0.692 -6.084 1.00 0.00 O ATOM 389 CB ILE A 26 0.738 -1.763 -5.731 1.00 0.00 C ATOM 390 CG1 ILE A 26 0.804 -2.763 -4.577 1.00 0.00 C ATOM 391 CG2 ILE A 26 1.343 -0.430 -5.313 1.00 0.00 C ATOM 392 CD1 ILE A 26 2.083 -3.567 -4.550 1.00 0.00 C ATOM 0 H ILE A 26 -0.331 -3.205 -7.450 1.00 0.00 H new ATOM 0 HA ILE A 26 -1.378 -1.717 -5.332 1.00 0.00 H new ATOM 0 HB ILE A 26 1.318 -2.151 -6.568 1.00 0.00 H new ATOM 0 HG12 ILE A 26 0.702 -2.225 -3.634 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -0.043 -3.445 -4.648 1.00 0.00 H new ATOM 0 HG21 ILE A 26 2.373 -0.583 -4.991 1.00 0.00 H new ATOM 0 HG22 ILE A 26 1.325 0.259 -6.158 1.00 0.00 H new ATOM 0 HG23 ILE A 26 0.765 -0.010 -4.490 1.00 0.00 H new ATOM 0 HD11 ILE A 26 2.062 -4.256 -3.706 1.00 0.00 H new ATOM 0 HD12 ILE A 26 2.177 -4.132 -5.477 1.00 0.00 H new ATOM 0 HD13 ILE A 26 2.934 -2.894 -4.447 1.00 0.00 H new ATOM 404 N GLN A 27 -0.426 0.034 -7.966 1.00 0.00 N ATOM 405 CA GLN A 27 -0.521 1.337 -8.611 1.00 0.00 C ATOM 406 C GLN A 27 -1.971 1.738 -8.841 1.00 0.00 C ATOM 407 O GLN A 27 -2.319 2.915 -8.749 1.00 0.00 O ATOM 408 CB GLN A 27 0.232 1.326 -9.943 1.00 0.00 C ATOM 409 CG GLN A 27 1.599 0.664 -9.864 1.00 0.00 C ATOM 410 CD GLN A 27 2.715 1.572 -10.344 1.00 0.00 C ATOM 411 OE1 GLN A 27 2.626 2.173 -11.414 1.00 0.00 O ATOM 412 NE2 GLN A 27 3.774 1.674 -9.550 1.00 0.00 N ATOM 0 H GLN A 27 0.042 -0.680 -8.525 1.00 0.00 H new ATOM 0 HA GLN A 27 -0.066 2.071 -7.945 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -0.371 0.807 -10.688 1.00 0.00 H new ATOM 0 HB3 GLN A 27 0.354 2.352 -10.290 1.00 0.00 H new ATOM 0 HG2 GLN A 27 1.795 0.366 -8.834 1.00 0.00 H new ATOM 0 HG3 GLN A 27 1.593 -0.246 -10.463 1.00 0.00 H new ATOM 0 HE21 GLN A 27 3.804 1.157 -8.671 1.00 0.00 H new ATOM 0 HE22 GLN A 27 4.557 2.270 -9.819 1.00 0.00 H new ATOM 421 N GLU A 28 -2.802 0.765 -9.199 1.00 0.00 N ATOM 422 CA GLU A 28 -4.207 1.038 -9.476 1.00 0.00 C ATOM 423 C GLU A 28 -5.003 1.216 -8.193 1.00 0.00 C ATOM 424 O GLU A 28 -6.084 1.806 -8.198 1.00 0.00 O ATOM 425 CB GLU A 28 -4.808 -0.074 -10.323 1.00 0.00 C ATOM 426 CG GLU A 28 -4.973 -1.382 -9.587 1.00 0.00 C ATOM 427 CD GLU A 28 -6.381 -1.591 -9.065 1.00 0.00 C ATOM 428 OE1 GLU A 28 -7.290 -1.827 -9.888 1.00 0.00 O ATOM 429 OE2 GLU A 28 -6.574 -1.518 -7.833 1.00 0.00 O ATOM 0 H GLU A 28 -2.530 -0.212 -9.304 1.00 0.00 H new ATOM 0 HA GLU A 28 -4.260 1.973 -10.033 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.781 0.249 -10.692 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -4.174 -0.236 -11.195 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.712 -2.204 -10.254 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -4.273 -1.414 -8.752 1.00 0.00 H new ATOM 436 N ARG A 29 -4.473 0.693 -7.095 1.00 0.00 N ATOM 437 CA ARG A 29 -5.151 0.791 -5.811 1.00 0.00 C ATOM 438 C ARG A 29 -4.751 2.067 -5.075 1.00 0.00 C ATOM 439 O ARG A 29 -5.395 2.460 -4.102 1.00 0.00 O ATOM 440 CB ARG A 29 -4.873 -0.450 -4.958 1.00 0.00 C ATOM 441 CG ARG A 29 -3.659 -0.339 -4.051 1.00 0.00 C ATOM 442 CD ARG A 29 -3.781 -1.284 -2.865 1.00 0.00 C ATOM 443 NE ARG A 29 -4.225 -2.614 -3.266 1.00 0.00 N ATOM 444 CZ ARG A 29 -3.396 -3.582 -3.647 1.00 0.00 C ATOM 445 NH1 ARG A 29 -2.089 -3.364 -3.688 1.00 0.00 N ATOM 446 NH2 ARG A 29 -3.875 -4.768 -3.991 1.00 0.00 N ATOM 0 H ARG A 29 -3.581 0.199 -7.068 1.00 0.00 H new ATOM 0 HA ARG A 29 -6.224 0.840 -5.996 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -5.750 -0.656 -4.345 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -4.738 -1.306 -5.619 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -2.756 -0.571 -4.615 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -3.558 0.686 -3.696 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -2.817 -1.361 -2.362 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -4.485 -0.870 -2.143 1.00 0.00 H new ATOM 0 HE ARG A 29 -5.225 -2.813 -3.254 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -1.716 -2.451 -3.427 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -1.457 -4.109 -3.981 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -4.880 -4.939 -3.964 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -3.239 -5.510 -4.283 1.00 0.00 H new ATOM 460 N ILE A 30 -3.689 2.717 -5.550 1.00 0.00 N ATOM 461 CA ILE A 30 -3.246 3.976 -4.955 1.00 0.00 C ATOM 462 C ILE A 30 -4.352 5.028 -5.074 1.00 0.00 C ATOM 463 O ILE A 30 -5.000 5.130 -6.116 1.00 0.00 O ATOM 464 CB ILE A 30 -1.958 4.505 -5.626 1.00 0.00 C ATOM 465 CG1 ILE A 30 -0.818 3.495 -5.463 1.00 0.00 C ATOM 466 CG2 ILE A 30 -1.556 5.862 -5.052 1.00 0.00 C ATOM 467 CD1 ILE A 30 -0.351 3.319 -4.033 1.00 0.00 C ATOM 0 H ILE A 30 -3.125 2.396 -6.337 1.00 0.00 H new ATOM 0 HA ILE A 30 -3.026 3.784 -3.905 1.00 0.00 H new ATOM 0 HB ILE A 30 -2.160 4.636 -6.689 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -1.144 2.529 -5.849 1.00 0.00 H new ATOM 0 HG13 ILE A 30 0.027 3.814 -6.074 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -0.647 6.210 -5.543 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -2.358 6.581 -5.222 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -1.376 5.765 -3.981 1.00 0.00 H new ATOM 0 HD11 ILE A 30 0.457 2.588 -4.002 1.00 0.00 H new ATOM 0 HD12 ILE A 30 0.007 4.273 -3.647 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -1.181 2.968 -3.420 1.00 0.00 H new ATOM 479 N PRO A 31 -4.606 5.812 -4.008 1.00 0.00 N ATOM 480 CA PRO A 31 -5.654 6.839 -4.021 1.00 0.00 C ATOM 481 C PRO A 31 -5.483 7.836 -5.160 1.00 0.00 C ATOM 482 O PRO A 31 -4.400 8.382 -5.374 1.00 0.00 O ATOM 483 CB PRO A 31 -5.509 7.540 -2.669 1.00 0.00 C ATOM 484 CG PRO A 31 -4.160 7.152 -2.171 1.00 0.00 C ATOM 485 CD PRO A 31 -3.904 5.776 -2.716 1.00 0.00 C ATOM 0 HA PRO A 31 -6.639 6.398 -4.176 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -5.594 8.622 -2.775 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -6.290 7.226 -1.977 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -3.400 7.855 -2.512 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -4.130 7.153 -1.081 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -2.839 5.579 -2.838 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -4.299 5.000 -2.061 1.00 0.00 H new ATOM 493 N GLU A 32 -6.564 8.040 -5.900 1.00 0.00 N ATOM 494 CA GLU A 32 -6.577 8.964 -7.032 1.00 0.00 C ATOM 495 C GLU A 32 -6.256 10.397 -6.609 1.00 0.00 C ATOM 496 O GLU A 32 -6.235 11.304 -7.441 1.00 0.00 O ATOM 497 CB GLU A 32 -7.941 8.926 -7.722 1.00 0.00 C ATOM 498 CG GLU A 32 -7.896 8.361 -9.132 1.00 0.00 C ATOM 499 CD GLU A 32 -8.936 8.983 -10.045 1.00 0.00 C ATOM 500 OE1 GLU A 32 -9.492 10.040 -9.679 1.00 0.00 O ATOM 501 OE2 GLU A 32 -9.193 8.413 -11.126 1.00 0.00 O ATOM 0 H GLU A 32 -7.456 7.573 -5.736 1.00 0.00 H new ATOM 0 HA GLU A 32 -5.800 8.640 -7.725 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -8.626 8.327 -7.122 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -8.349 9.936 -7.758 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -6.904 8.525 -9.553 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -8.051 7.283 -9.092 1.00 0.00 H new ATOM 508 N GLY A 33 -6.015 10.602 -5.317 1.00 0.00 N ATOM 509 CA GLY A 33 -5.730 11.936 -4.822 1.00 0.00 C ATOM 510 C GLY A 33 -4.281 12.338 -5.006 1.00 0.00 C ATOM 511 O GLY A 33 -3.990 13.360 -5.629 1.00 0.00 O ATOM 0 H GLY A 33 -6.012 9.870 -4.607 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -6.369 12.653 -5.338 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -5.984 11.987 -3.763 1.00 0.00 H new ATOM 515 N THR A 34 -3.367 11.541 -4.462 1.00 0.00 N ATOM 516 CA THR A 34 -1.944 11.840 -4.567 1.00 0.00 C ATOM 517 C THR A 34 -1.194 10.731 -5.301 1.00 0.00 C ATOM 518 O THR A 34 -1.722 10.123 -6.232 1.00 0.00 O ATOM 519 CB THR A 34 -1.343 12.048 -3.175 1.00 0.00 C ATOM 520 OG1 THR A 34 -2.360 12.308 -2.225 1.00 0.00 O ATOM 521 CG2 THR A 34 -0.352 13.190 -3.115 1.00 0.00 C ATOM 0 H THR A 34 -3.585 10.688 -3.947 1.00 0.00 H new ATOM 0 HA THR A 34 -1.838 12.758 -5.145 1.00 0.00 H new ATOM 0 HB THR A 34 -0.816 11.122 -2.945 1.00 0.00 H new ATOM 0 HG1 THR A 34 -2.838 13.127 -2.473 1.00 0.00 H new ATOM 0 HG21 THR A 34 0.036 13.282 -2.100 1.00 0.00 H new ATOM 0 HG22 THR A 34 0.471 12.994 -3.802 1.00 0.00 H new ATOM 0 HG23 THR A 34 -0.848 14.118 -3.400 1.00 0.00 H new ATOM 529 N GLU A 35 0.041 10.475 -4.876 1.00 0.00 N ATOM 530 CA GLU A 35 0.873 9.456 -5.499 1.00 0.00 C ATOM 531 C GLU A 35 1.541 8.580 -4.447 1.00 0.00 C ATOM 532 O GLU A 35 1.499 8.881 -3.254 1.00 0.00 O ATOM 533 CB GLU A 35 1.932 10.113 -6.384 1.00 0.00 C ATOM 534 CG GLU A 35 2.997 10.864 -5.603 1.00 0.00 C ATOM 535 CD GLU A 35 3.724 11.893 -6.447 1.00 0.00 C ATOM 536 OE1 GLU A 35 4.154 11.544 -7.567 1.00 0.00 O ATOM 537 OE2 GLU A 35 3.859 13.047 -5.990 1.00 0.00 O ATOM 0 H GLU A 35 0.487 10.963 -4.099 1.00 0.00 H new ATOM 0 HA GLU A 35 0.234 8.823 -6.115 1.00 0.00 H new ATOM 0 HB2 GLU A 35 2.412 9.346 -6.992 1.00 0.00 H new ATOM 0 HB3 GLU A 35 1.442 10.804 -7.071 1.00 0.00 H new ATOM 0 HG2 GLU A 35 2.534 11.361 -4.750 1.00 0.00 H new ATOM 0 HG3 GLU A 35 3.719 10.152 -5.204 1.00 0.00 H new ATOM 544 N LEU A 36 2.157 7.496 -4.902 1.00 0.00 N ATOM 545 CA LEU A 36 2.822 6.559 -4.005 1.00 0.00 C ATOM 546 C LEU A 36 4.151 7.123 -3.502 1.00 0.00 C ATOM 547 O LEU A 36 4.483 8.281 -3.756 1.00 0.00 O ATOM 548 CB LEU A 36 3.059 5.226 -4.720 1.00 0.00 C ATOM 549 CG LEU A 36 3.590 5.344 -6.150 1.00 0.00 C ATOM 550 CD1 LEU A 36 4.929 4.634 -6.283 1.00 0.00 C ATOM 551 CD2 LEU A 36 2.584 4.779 -7.141 1.00 0.00 C ATOM 0 H LEU A 36 2.210 7.244 -5.889 1.00 0.00 H new ATOM 0 HA LEU A 36 2.173 6.398 -3.144 1.00 0.00 H new ATOM 0 HB2 LEU A 36 3.765 4.637 -4.134 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.121 4.671 -4.741 1.00 0.00 H new ATOM 0 HG LEU A 36 3.738 6.400 -6.376 1.00 0.00 H new ATOM 0 HD11 LEU A 36 5.291 4.729 -7.307 1.00 0.00 H new ATOM 0 HD12 LEU A 36 5.649 5.085 -5.600 1.00 0.00 H new ATOM 0 HD13 LEU A 36 4.807 3.579 -6.037 1.00 0.00 H new ATOM 0 HD21 LEU A 36 2.979 4.871 -8.153 1.00 0.00 H new ATOM 0 HD22 LEU A 36 2.403 3.728 -6.917 1.00 0.00 H new ATOM 0 HD23 LEU A 36 1.648 5.332 -7.065 1.00 0.00 H new ATOM 563 N HIS A 37 4.900 6.295 -2.777 1.00 0.00 N ATOM 564 CA HIS A 37 6.189 6.693 -2.222 1.00 0.00 C ATOM 565 C HIS A 37 7.258 5.657 -2.533 1.00 0.00 C ATOM 566 O HIS A 37 8.101 5.848 -3.409 1.00 0.00 O ATOM 567 CB HIS A 37 6.071 6.851 -0.708 1.00 0.00 C ATOM 568 CG HIS A 37 7.356 7.226 -0.033 1.00 0.00 C ATOM 569 ND1 HIS A 37 7.858 8.502 -0.104 1.00 0.00 N ATOM 570 CD2 HIS A 37 8.193 6.458 0.707 1.00 0.00 C ATOM 571 CE1 HIS A 37 8.984 8.487 0.589 1.00 0.00 C ATOM 572 NE2 HIS A 37 9.226 7.270 1.099 1.00 0.00 N ATOM 0 H HIS A 37 4.632 5.335 -2.559 1.00 0.00 H new ATOM 0 HA HIS A 37 6.477 7.642 -2.675 1.00 0.00 H new ATOM 0 HB2 HIS A 37 5.322 7.612 -0.490 1.00 0.00 H new ATOM 0 HB3 HIS A 37 5.708 5.915 -0.282 1.00 0.00 H new ATOM 0 HD2 HIS A 37 8.070 5.411 0.942 1.00 0.00 H new ATOM 0 HE1 HIS A 37 9.626 9.344 0.727 1.00 0.00 H new ATOM 0 HE2 HIS A 37 10.027 7.000 1.670 1.00 0.00 H new ATOM 580 N LYS A 38 7.195 4.551 -1.806 1.00 0.00 N ATOM 581 CA LYS A 38 8.153 3.468 -1.952 1.00 0.00 C ATOM 582 C LYS A 38 7.612 2.205 -1.283 1.00 0.00 C ATOM 583 O LYS A 38 7.148 2.247 -0.144 1.00 0.00 O ATOM 584 CB LYS A 38 9.503 3.886 -1.351 1.00 0.00 C ATOM 585 CG LYS A 38 10.133 2.856 -0.425 1.00 0.00 C ATOM 586 CD LYS A 38 10.827 1.754 -1.208 1.00 0.00 C ATOM 587 CE LYS A 38 11.953 1.121 -0.406 1.00 0.00 C ATOM 588 NZ LYS A 38 12.811 0.242 -1.250 1.00 0.00 N ATOM 0 H LYS A 38 6.479 4.380 -1.100 1.00 0.00 H new ATOM 0 HA LYS A 38 8.306 3.251 -3.009 1.00 0.00 H new ATOM 0 HB2 LYS A 38 10.198 4.097 -2.164 1.00 0.00 H new ATOM 0 HB3 LYS A 38 9.367 4.816 -0.799 1.00 0.00 H new ATOM 0 HG2 LYS A 38 10.853 3.346 0.231 1.00 0.00 H new ATOM 0 HG3 LYS A 38 9.364 2.421 0.214 1.00 0.00 H new ATOM 0 HD2 LYS A 38 10.101 0.989 -1.482 1.00 0.00 H new ATOM 0 HD3 LYS A 38 11.226 2.163 -2.136 1.00 0.00 H new ATOM 0 HE2 LYS A 38 12.565 1.904 0.041 1.00 0.00 H new ATOM 0 HE3 LYS A 38 11.532 0.539 0.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 13.566 -0.170 -0.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 12.233 -0.521 -1.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 13.234 0.803 -2.017 1.00 0.00 H new ATOM 602 N ILE A 39 7.629 1.097 -2.017 1.00 0.00 N ATOM 603 CA ILE A 39 7.069 -0.155 -1.520 1.00 0.00 C ATOM 604 C ILE A 39 8.116 -1.026 -0.829 1.00 0.00 C ATOM 605 O ILE A 39 9.316 -0.892 -1.070 1.00 0.00 O ATOM 606 CB ILE A 39 6.409 -0.954 -2.654 1.00 0.00 C ATOM 607 CG1 ILE A 39 5.645 -0.003 -3.583 1.00 0.00 C ATOM 608 CG2 ILE A 39 5.483 -2.009 -2.071 1.00 0.00 C ATOM 609 CD1 ILE A 39 4.677 -0.696 -4.517 1.00 0.00 C ATOM 0 H ILE A 39 8.023 1.040 -2.956 1.00 0.00 H new ATOM 0 HA ILE A 39 6.315 0.119 -0.782 1.00 0.00 H new ATOM 0 HB ILE A 39 7.177 -1.460 -3.239 1.00 0.00 H new ATOM 0 HG12 ILE A 39 5.095 0.717 -2.976 1.00 0.00 H new ATOM 0 HG13 ILE A 39 6.363 0.563 -4.176 1.00 0.00 H new ATOM 0 HG21 ILE A 39 5.018 -2.572 -2.880 1.00 0.00 H new ATOM 0 HG22 ILE A 39 6.056 -2.688 -1.439 1.00 0.00 H new ATOM 0 HG23 ILE A 39 4.710 -1.525 -1.475 1.00 0.00 H new ATOM 0 HD11 ILE A 39 4.178 0.046 -5.140 1.00 0.00 H new ATOM 0 HD12 ILE A 39 5.221 -1.395 -5.152 1.00 0.00 H new ATOM 0 HD13 ILE A 39 3.934 -1.239 -3.933 1.00 0.00 H new ATOM 621 N ASP A 40 7.639 -1.932 0.024 1.00 0.00 N ATOM 622 CA ASP A 40 8.505 -2.816 0.787 1.00 0.00 C ATOM 623 C ASP A 40 8.166 -4.282 0.539 1.00 0.00 C ATOM 624 O ASP A 40 7.033 -4.706 0.756 1.00 0.00 O ATOM 625 CB ASP A 40 8.340 -2.519 2.270 1.00 0.00 C ATOM 626 CG ASP A 40 8.756 -1.107 2.632 1.00 0.00 C ATOM 627 OD1 ASP A 40 7.957 -0.175 2.402 1.00 0.00 O ATOM 628 OD2 ASP A 40 9.881 -0.932 3.144 1.00 0.00 O ATOM 0 H ASP A 40 6.644 -2.070 0.202 1.00 0.00 H new ATOM 0 HA ASP A 40 9.533 -2.641 0.468 1.00 0.00 H new ATOM 0 HB2 ASP A 40 7.298 -2.671 2.553 1.00 0.00 H new ATOM 0 HB3 ASP A 40 8.934 -3.228 2.847 1.00 0.00 H new ATOM 633 N GLU A 41 9.157 -5.061 0.125 1.00 0.00 N ATOM 634 CA GLU A 41 8.955 -6.487 -0.105 1.00 0.00 C ATOM 635 C GLU A 41 9.159 -7.276 1.190 1.00 0.00 C ATOM 636 O GLU A 41 10.172 -7.953 1.362 1.00 0.00 O ATOM 637 CB GLU A 41 9.912 -6.994 -1.187 1.00 0.00 C ATOM 638 CG GLU A 41 9.860 -6.186 -2.473 1.00 0.00 C ATOM 639 CD GLU A 41 10.890 -6.640 -3.489 1.00 0.00 C ATOM 640 OE1 GLU A 41 10.728 -7.747 -4.045 1.00 0.00 O ATOM 641 OE2 GLU A 41 11.859 -5.889 -3.728 1.00 0.00 O ATOM 0 H GLU A 41 10.105 -4.732 -0.058 1.00 0.00 H new ATOM 0 HA GLU A 41 7.930 -6.637 -0.445 1.00 0.00 H new ATOM 0 HB2 GLU A 41 10.930 -6.976 -0.797 1.00 0.00 H new ATOM 0 HB3 GLU A 41 9.675 -8.034 -1.411 1.00 0.00 H new ATOM 0 HG2 GLU A 41 8.864 -6.268 -2.909 1.00 0.00 H new ATOM 0 HG3 GLU A 41 10.022 -5.133 -2.243 1.00 0.00 H new ATOM 648 N GLU A 42 8.203 -7.159 2.108 1.00 0.00 N ATOM 649 CA GLU A 42 8.278 -7.853 3.392 1.00 0.00 C ATOM 650 C GLU A 42 7.419 -9.114 3.381 1.00 0.00 C ATOM 651 O GLU A 42 6.287 -9.090 2.909 1.00 0.00 O ATOM 652 CB GLU A 42 7.827 -6.927 4.521 1.00 0.00 C ATOM 653 CG GLU A 42 8.953 -6.513 5.451 1.00 0.00 C ATOM 654 CD GLU A 42 8.587 -6.663 6.913 1.00 0.00 C ATOM 655 OE1 GLU A 42 8.496 -7.815 7.387 1.00 0.00 O ATOM 656 OE2 GLU A 42 8.389 -5.629 7.586 1.00 0.00 O ATOM 0 H GLU A 42 7.366 -6.589 1.987 1.00 0.00 H new ATOM 0 HA GLU A 42 9.315 -8.143 3.560 1.00 0.00 H new ATOM 0 HB2 GLU A 42 7.376 -6.034 4.089 1.00 0.00 H new ATOM 0 HB3 GLU A 42 7.052 -7.426 5.102 1.00 0.00 H new ATOM 0 HG2 GLU A 42 9.836 -7.116 5.238 1.00 0.00 H new ATOM 0 HG3 GLU A 42 9.220 -5.475 5.252 1.00 0.00 H new ATOM 663 N PRO A 43 7.942 -10.236 3.910 1.00 0.00 N ATOM 664 CA PRO A 43 7.222 -11.503 3.939 1.00 0.00 C ATOM 665 C PRO A 43 6.320 -11.636 5.157 1.00 0.00 C ATOM 666 O PRO A 43 6.505 -10.950 6.162 1.00 0.00 O ATOM 667 CB PRO A 43 8.342 -12.537 3.973 1.00 0.00 C ATOM 668 CG PRO A 43 9.498 -11.852 4.633 1.00 0.00 C ATOM 669 CD PRO A 43 9.283 -10.360 4.502 1.00 0.00 C ATOM 0 HA PRO A 43 6.549 -11.613 3.089 1.00 0.00 H new ATOM 0 HB2 PRO A 43 8.041 -13.424 4.531 1.00 0.00 H new ATOM 0 HB3 PRO A 43 8.603 -12.866 2.967 1.00 0.00 H new ATOM 0 HG2 PRO A 43 9.564 -12.138 5.683 1.00 0.00 H new ATOM 0 HG3 PRO A 43 10.436 -12.146 4.163 1.00 0.00 H new ATOM 0 HD2 PRO A 43 9.337 -9.864 5.471 1.00 0.00 H new ATOM 0 HD3 PRO A 43 10.042 -9.903 3.867 1.00 0.00 H new ATOM 677 N ILE A 44 5.323 -12.506 5.042 1.00 0.00 N ATOM 678 CA ILE A 44 4.344 -12.697 6.102 1.00 0.00 C ATOM 679 C ILE A 44 4.214 -14.166 6.490 1.00 0.00 C ATOM 680 O ILE A 44 4.817 -14.617 7.464 1.00 0.00 O ATOM 681 CB ILE A 44 2.965 -12.162 5.668 1.00 0.00 C ATOM 682 CG1 ILE A 44 3.140 -10.962 4.727 1.00 0.00 C ATOM 683 CG2 ILE A 44 2.129 -11.786 6.884 1.00 0.00 C ATOM 684 CD1 ILE A 44 3.750 -9.746 5.398 1.00 0.00 C ATOM 0 H ILE A 44 5.172 -13.092 4.221 1.00 0.00 H new ATOM 0 HA ILE A 44 4.697 -12.140 6.970 1.00 0.00 H new ATOM 0 HB ILE A 44 2.435 -12.948 5.130 1.00 0.00 H new ATOM 0 HG12 ILE A 44 3.770 -11.258 3.888 1.00 0.00 H new ATOM 0 HG13 ILE A 44 2.168 -10.690 4.315 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.159 -11.411 6.557 1.00 0.00 H new ATOM 0 HG22 ILE A 44 1.985 -12.665 7.512 1.00 0.00 H new ATOM 0 HG23 ILE A 44 2.644 -11.013 7.454 1.00 0.00 H new ATOM 0 HD11 ILE A 44 3.843 -8.938 4.672 1.00 0.00 H new ATOM 0 HD12 ILE A 44 3.110 -9.424 6.219 1.00 0.00 H new ATOM 0 HD13 ILE A 44 4.736 -10.001 5.786 1.00 0.00 H new ATOM 696 N ALA A 45 3.402 -14.902 5.736 1.00 0.00 N ATOM 697 CA ALA A 45 3.179 -16.319 6.004 1.00 0.00 C ATOM 698 C ALA A 45 4.440 -17.139 5.737 1.00 0.00 C ATOM 699 O ALA A 45 5.556 -16.652 5.915 1.00 0.00 O ATOM 700 CB ALA A 45 2.016 -16.833 5.168 1.00 0.00 C ATOM 0 H ALA A 45 2.887 -14.540 4.934 1.00 0.00 H new ATOM 0 HA ALA A 45 2.930 -16.431 7.059 1.00 0.00 H new ATOM 0 HB1 ALA A 45 1.858 -17.891 5.376 1.00 0.00 H new ATOM 0 HB2 ALA A 45 1.113 -16.276 5.419 1.00 0.00 H new ATOM 0 HB3 ALA A 45 2.242 -16.701 4.110 1.00 0.00 H new ATOM 706 N PHE A 46 4.257 -18.384 5.303 1.00 0.00 N ATOM 707 CA PHE A 46 5.383 -19.264 5.013 1.00 0.00 C ATOM 708 C PHE A 46 6.101 -18.816 3.744 1.00 0.00 C ATOM 709 O PHE A 46 7.320 -18.947 3.629 1.00 0.00 O ATOM 710 CB PHE A 46 4.905 -20.714 4.870 1.00 0.00 C ATOM 711 CG PHE A 46 4.149 -20.987 3.599 1.00 0.00 C ATOM 712 CD1 PHE A 46 2.808 -20.653 3.489 1.00 0.00 C ATOM 713 CD2 PHE A 46 4.778 -21.585 2.519 1.00 0.00 C ATOM 714 CE1 PHE A 46 2.111 -20.906 2.322 1.00 0.00 C ATOM 715 CE2 PHE A 46 4.086 -21.839 1.349 1.00 0.00 C ATOM 716 CZ PHE A 46 2.751 -21.500 1.251 1.00 0.00 C ATOM 0 H PHE A 46 3.341 -18.804 5.145 1.00 0.00 H new ATOM 0 HA PHE A 46 6.085 -19.209 5.845 1.00 0.00 H new ATOM 0 HB2 PHE A 46 5.769 -21.377 4.916 1.00 0.00 H new ATOM 0 HB3 PHE A 46 4.268 -20.961 5.719 1.00 0.00 H new ATOM 0 HD1 PHE A 46 2.302 -20.190 4.324 1.00 0.00 H new ATOM 0 HD2 PHE A 46 5.821 -21.856 2.592 1.00 0.00 H new ATOM 0 HE1 PHE A 46 1.067 -20.640 2.248 1.00 0.00 H new ATOM 0 HE2 PHE A 46 4.589 -22.302 0.513 1.00 0.00 H new ATOM 0 HZ PHE A 46 2.208 -21.699 0.339 1.00 0.00 H new ATOM 726 N GLY A 47 5.339 -18.266 2.804 1.00 0.00 N ATOM 727 CA GLY A 47 5.918 -17.800 1.558 1.00 0.00 C ATOM 728 C GLY A 47 5.136 -16.656 0.943 1.00 0.00 C ATOM 729 O GLY A 47 5.415 -16.240 -0.182 1.00 0.00 O ATOM 0 H GLY A 47 4.331 -18.135 2.883 1.00 0.00 H new ATOM 0 HA2 GLY A 47 6.944 -17.479 1.736 1.00 0.00 H new ATOM 0 HA3 GLY A 47 5.961 -18.628 0.850 1.00 0.00 H new ATOM 733 N LEU A 48 4.148 -16.148 1.677 1.00 0.00 N ATOM 734 CA LEU A 48 3.326 -15.047 1.193 1.00 0.00 C ATOM 735 C LEU A 48 3.911 -13.705 1.621 1.00 0.00 C ATOM 736 O LEU A 48 3.755 -13.284 2.767 1.00 0.00 O ATOM 737 CB LEU A 48 1.888 -15.183 1.705 1.00 0.00 C ATOM 738 CG LEU A 48 1.351 -16.618 1.807 1.00 0.00 C ATOM 739 CD1 LEU A 48 -0.153 -16.604 2.043 1.00 0.00 C ATOM 740 CD2 LEU A 48 1.683 -17.415 0.555 1.00 0.00 C ATOM 0 H LEU A 48 3.899 -16.483 2.608 1.00 0.00 H new ATOM 0 HA LEU A 48 3.315 -15.088 0.104 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.827 -14.721 2.690 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.232 -14.615 1.046 1.00 0.00 H new ATOM 0 HG LEU A 48 1.836 -17.102 2.655 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -0.520 -17.628 2.113 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -0.371 -16.076 2.971 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -0.647 -16.098 1.213 1.00 0.00 H new ATOM 0 HD21 LEU A 48 1.291 -18.427 0.654 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.231 -16.934 -0.313 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.765 -17.455 0.426 1.00 0.00 H new ATOM 752 N VAL A 49 4.573 -13.033 0.685 1.00 0.00 N ATOM 753 CA VAL A 49 5.211 -11.753 0.963 1.00 0.00 C ATOM 754 C VAL A 49 4.288 -10.578 0.649 1.00 0.00 C ATOM 755 O VAL A 49 3.766 -10.461 -0.459 1.00 0.00 O ATOM 756 CB VAL A 49 6.515 -11.602 0.150 1.00 0.00 C ATOM 757 CG1 VAL A 49 7.113 -10.211 0.322 1.00 0.00 C ATOM 758 CG2 VAL A 49 7.518 -12.673 0.550 1.00 0.00 C ATOM 0 H VAL A 49 4.681 -13.356 -0.276 1.00 0.00 H new ATOM 0 HA VAL A 49 5.440 -11.740 2.029 1.00 0.00 H new ATOM 0 HB VAL A 49 6.273 -11.732 -0.905 1.00 0.00 H new ATOM 0 HG11 VAL A 49 8.030 -10.134 -0.262 1.00 0.00 H new ATOM 0 HG12 VAL A 49 6.399 -9.463 -0.023 1.00 0.00 H new ATOM 0 HG13 VAL A 49 7.338 -10.039 1.375 1.00 0.00 H new ATOM 0 HG21 VAL A 49 8.431 -12.552 -0.033 1.00 0.00 H new ATOM 0 HG22 VAL A 49 7.749 -12.577 1.611 1.00 0.00 H new ATOM 0 HG23 VAL A 49 7.094 -13.659 0.359 1.00 0.00 H new ATOM 768 N ALA A 50 4.166 -9.667 1.611 1.00 0.00 N ATOM 769 CA ALA A 50 3.345 -8.476 1.447 1.00 0.00 C ATOM 770 C ALA A 50 4.186 -7.301 0.980 1.00 0.00 C ATOM 771 O ALA A 50 5.406 -7.291 1.142 1.00 0.00 O ATOM 772 CB ALA A 50 2.666 -8.112 2.756 1.00 0.00 C ATOM 0 H ALA A 50 4.630 -9.734 2.517 1.00 0.00 H new ATOM 0 HA ALA A 50 2.588 -8.696 0.694 1.00 0.00 H new ATOM 0 HB1 ALA A 50 2.057 -7.219 2.614 1.00 0.00 H new ATOM 0 HB2 ALA A 50 2.031 -8.937 3.078 1.00 0.00 H new ATOM 0 HB3 ALA A 50 3.422 -7.918 3.516 1.00 0.00 H new ATOM 778 N LEU A 51 3.525 -6.313 0.397 1.00 0.00 N ATOM 779 CA LEU A 51 4.205 -5.127 -0.094 1.00 0.00 C ATOM 780 C LEU A 51 3.710 -3.889 0.641 1.00 0.00 C ATOM 781 O LEU A 51 2.524 -3.560 0.593 1.00 0.00 O ATOM 782 CB LEU A 51 3.980 -4.975 -1.600 1.00 0.00 C ATOM 783 CG LEU A 51 4.861 -5.871 -2.474 1.00 0.00 C ATOM 784 CD1 LEU A 51 4.561 -7.334 -2.201 1.00 0.00 C ATOM 785 CD2 LEU A 51 4.665 -5.547 -3.947 1.00 0.00 C ATOM 0 H LEU A 51 2.515 -6.310 0.253 1.00 0.00 H new ATOM 0 HA LEU A 51 5.274 -5.236 0.092 1.00 0.00 H new ATOM 0 HB2 LEU A 51 2.935 -5.191 -1.821 1.00 0.00 H new ATOM 0 HB3 LEU A 51 4.156 -3.935 -1.876 1.00 0.00 H new ATOM 0 HG LEU A 51 5.904 -5.680 -2.222 1.00 0.00 H new ATOM 0 HD11 LEU A 51 5.195 -7.959 -2.830 1.00 0.00 H new ATOM 0 HD12 LEU A 51 4.758 -7.556 -1.152 1.00 0.00 H new ATOM 0 HD13 LEU A 51 3.514 -7.539 -2.425 1.00 0.00 H new ATOM 0 HD21 LEU A 51 5.301 -6.196 -4.550 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.622 -5.707 -4.219 1.00 0.00 H new ATOM 0 HD23 LEU A 51 4.932 -4.506 -4.129 1.00 0.00 H new ATOM 797 N ASN A 52 4.621 -3.213 1.327 1.00 0.00 N ATOM 798 CA ASN A 52 4.276 -2.016 2.076 1.00 0.00 C ATOM 799 C ASN A 52 4.417 -0.788 1.194 1.00 0.00 C ATOM 800 O ASN A 52 5.486 -0.186 1.101 1.00 0.00 O ATOM 801 CB ASN A 52 5.171 -1.887 3.311 1.00 0.00 C ATOM 802 CG ASN A 52 5.426 -3.221 3.987 1.00 0.00 C ATOM 803 OD1 ASN A 52 6.489 -3.443 4.567 1.00 0.00 O ATOM 804 ND2 ASN A 52 4.449 -4.119 3.920 1.00 0.00 N ATOM 0 H ASN A 52 5.605 -3.475 1.379 1.00 0.00 H new ATOM 0 HA ASN A 52 3.239 -2.095 2.404 1.00 0.00 H new ATOM 0 HB2 ASN A 52 6.123 -1.443 3.021 1.00 0.00 H new ATOM 0 HB3 ASN A 52 4.705 -1.206 4.023 1.00 0.00 H new ATOM 0 HD21 ASN A 52 4.565 -5.032 4.359 1.00 0.00 H new ATOM 0 HD22 ASN A 52 3.583 -3.895 3.429 1.00 0.00 H new ATOM 811 N VAL A 53 3.319 -0.434 0.542 1.00 0.00 N ATOM 812 CA VAL A 53 3.297 0.691 -0.376 1.00 0.00 C ATOM 813 C VAL A 53 3.005 1.996 0.351 1.00 0.00 C ATOM 814 O VAL A 53 1.855 2.299 0.670 1.00 0.00 O ATOM 815 CB VAL A 53 2.240 0.483 -1.476 1.00 0.00 C ATOM 816 CG1 VAL A 53 2.450 1.471 -2.613 1.00 0.00 C ATOM 817 CG2 VAL A 53 2.271 -0.948 -1.987 1.00 0.00 C ATOM 0 H VAL A 53 2.425 -0.916 0.635 1.00 0.00 H new ATOM 0 HA VAL A 53 4.287 0.751 -0.829 1.00 0.00 H new ATOM 0 HB VAL A 53 1.255 0.666 -1.046 1.00 0.00 H new ATOM 0 HG11 VAL A 53 1.693 1.308 -3.381 1.00 0.00 H new ATOM 0 HG12 VAL A 53 2.367 2.488 -2.231 1.00 0.00 H new ATOM 0 HG13 VAL A 53 3.441 1.325 -3.043 1.00 0.00 H new ATOM 0 HG21 VAL A 53 1.516 -1.073 -2.764 1.00 0.00 H new ATOM 0 HG22 VAL A 53 3.256 -1.166 -2.400 1.00 0.00 H new ATOM 0 HG23 VAL A 53 2.063 -1.633 -1.165 1.00 0.00 H new ATOM 827 N MET A 54 4.050 2.787 0.559 1.00 0.00 N ATOM 828 CA MET A 54 3.912 4.076 1.222 1.00 0.00 C ATOM 829 C MET A 54 3.510 5.143 0.218 1.00 0.00 C ATOM 830 O MET A 54 3.559 4.916 -0.990 1.00 0.00 O ATOM 831 CB MET A 54 5.226 4.468 1.902 1.00 0.00 C ATOM 832 CG MET A 54 5.700 3.464 2.941 1.00 0.00 C ATOM 833 SD MET A 54 7.494 3.438 3.109 1.00 0.00 S ATOM 834 CE MET A 54 7.681 2.414 4.568 1.00 0.00 C ATOM 0 H MET A 54 5.003 2.558 0.278 1.00 0.00 H new ATOM 0 HA MET A 54 3.134 3.993 1.981 1.00 0.00 H new ATOM 0 HB2 MET A 54 5.998 4.582 1.141 1.00 0.00 H new ATOM 0 HB3 MET A 54 5.102 5.440 2.379 1.00 0.00 H new ATOM 0 HG2 MET A 54 5.252 3.705 3.905 1.00 0.00 H new ATOM 0 HG3 MET A 54 5.350 2.469 2.666 1.00 0.00 H new ATOM 0 HE1 MET A 54 8.740 2.303 4.802 1.00 0.00 H new ATOM 0 HE2 MET A 54 7.171 2.883 5.409 1.00 0.00 H new ATOM 0 HE3 MET A 54 7.246 1.432 4.382 1.00 0.00 H new ATOM 844 N VAL A 55 3.075 6.292 0.720 1.00 0.00 N ATOM 845 CA VAL A 55 2.622 7.374 -0.144 1.00 0.00 C ATOM 846 C VAL A 55 3.085 8.736 0.370 1.00 0.00 C ATOM 847 O VAL A 55 3.012 9.018 1.567 1.00 0.00 O ATOM 848 CB VAL A 55 1.084 7.368 -0.274 1.00 0.00 C ATOM 849 CG1 VAL A 55 0.580 5.962 -0.545 1.00 0.00 C ATOM 850 CG2 VAL A 55 0.427 7.930 0.977 1.00 0.00 C ATOM 0 H VAL A 55 3.026 6.498 1.718 1.00 0.00 H new ATOM 0 HA VAL A 55 3.066 7.206 -1.125 1.00 0.00 H new ATOM 0 HB VAL A 55 0.816 8.007 -1.116 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.506 5.976 -0.634 1.00 0.00 H new ATOM 0 HG12 VAL A 55 1.015 5.592 -1.473 1.00 0.00 H new ATOM 0 HG13 VAL A 55 0.869 5.307 0.277 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -0.656 7.914 0.858 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.706 7.323 1.838 1.00 0.00 H new ATOM 0 HG23 VAL A 55 0.759 8.956 1.133 1.00 0.00 H new ATOM 860 N VAL A 56 3.582 9.569 -0.539 1.00 0.00 N ATOM 861 CA VAL A 56 4.027 10.910 -0.177 1.00 0.00 C ATOM 862 C VAL A 56 2.935 11.935 -0.456 1.00 0.00 C ATOM 863 O VAL A 56 2.613 12.212 -1.613 1.00 0.00 O ATOM 864 CB VAL A 56 5.305 11.330 -0.930 1.00 0.00 C ATOM 865 CG1 VAL A 56 6.345 11.852 0.049 1.00 0.00 C ATOM 866 CG2 VAL A 56 5.861 10.177 -1.751 1.00 0.00 C ATOM 0 H VAL A 56 3.686 9.340 -1.528 1.00 0.00 H new ATOM 0 HA VAL A 56 4.251 10.880 0.889 1.00 0.00 H new ATOM 0 HB VAL A 56 5.048 12.132 -1.621 1.00 0.00 H new ATOM 0 HG11 VAL A 56 7.243 12.145 -0.496 1.00 0.00 H new ATOM 0 HG12 VAL A 56 5.944 12.716 0.580 1.00 0.00 H new ATOM 0 HG13 VAL A 56 6.595 11.070 0.766 1.00 0.00 H new ATOM 0 HG21 VAL A 56 6.762 10.502 -2.271 1.00 0.00 H new ATOM 0 HG22 VAL A 56 6.104 9.344 -1.091 1.00 0.00 H new ATOM 0 HG23 VAL A 56 5.116 9.857 -2.480 1.00 0.00 H new ATOM 876 N VAL A 57 2.363 12.492 0.604 1.00 0.00 N ATOM 877 CA VAL A 57 1.311 13.492 0.464 1.00 0.00 C ATOM 878 C VAL A 57 1.606 14.721 1.319 1.00 0.00 C ATOM 879 O VAL A 57 2.171 14.611 2.407 1.00 0.00 O ATOM 880 CB VAL A 57 -0.072 12.920 0.841 1.00 0.00 C ATOM 881 CG1 VAL A 57 -0.344 11.634 0.076 1.00 0.00 C ATOM 882 CG2 VAL A 57 -0.176 12.683 2.339 1.00 0.00 C ATOM 0 H VAL A 57 2.609 12.269 1.569 1.00 0.00 H new ATOM 0 HA VAL A 57 1.289 13.785 -0.586 1.00 0.00 H new ATOM 0 HB VAL A 57 -0.828 13.655 0.564 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -1.323 11.245 0.355 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -0.325 11.837 -0.995 1.00 0.00 H new ATOM 0 HG13 VAL A 57 0.422 10.897 0.319 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -1.161 12.280 2.576 1.00 0.00 H new ATOM 0 HG22 VAL A 57 0.591 11.973 2.649 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -0.033 13.626 2.867 1.00 0.00 H new ATOM 892 N GLY A 58 1.235 15.890 0.810 1.00 0.00 N ATOM 893 CA GLY A 58 1.473 17.125 1.536 1.00 0.00 C ATOM 894 C GLY A 58 0.792 18.316 0.890 1.00 0.00 C ATOM 895 O GLY A 58 -0.104 18.921 1.479 1.00 0.00 O ATOM 0 H GLY A 58 0.774 16.006 -0.092 1.00 0.00 H new ATOM 0 HA2 GLY A 58 1.115 17.016 2.560 1.00 0.00 H new ATOM 0 HA3 GLY A 58 2.546 17.310 1.592 1.00 0.00 H new ATOM 899 N ASP A 59 1.215 18.649 -0.327 1.00 0.00 N ATOM 900 CA ASP A 59 0.637 19.772 -1.054 1.00 0.00 C ATOM 901 C ASP A 59 -0.672 19.365 -1.718 1.00 0.00 C ATOM 902 O ASP A 59 -1.383 20.200 -2.278 1.00 0.00 O ATOM 903 CB ASP A 59 1.619 20.286 -2.108 1.00 0.00 C ATOM 904 CG ASP A 59 3.002 20.532 -1.538 1.00 0.00 C ATOM 905 OD1 ASP A 59 3.229 21.627 -0.982 1.00 0.00 O ATOM 906 OD2 ASP A 59 3.859 19.630 -1.648 1.00 0.00 O ATOM 0 H ASP A 59 1.955 18.157 -0.828 1.00 0.00 H new ATOM 0 HA ASP A 59 0.433 20.571 -0.341 1.00 0.00 H new ATOM 0 HB2 ASP A 59 1.687 19.563 -2.921 1.00 0.00 H new ATOM 0 HB3 ASP A 59 1.236 21.212 -2.537 1.00 0.00 H new ATOM 911 N ALA A 60 -0.978 18.076 -1.651 1.00 0.00 N ATOM 912 CA ALA A 60 -2.204 17.545 -2.228 1.00 0.00 C ATOM 913 C ALA A 60 -3.431 18.046 -1.467 1.00 0.00 C ATOM 914 O ALA A 60 -3.436 19.160 -0.942 1.00 0.00 O ATOM 915 CB ALA A 60 -2.155 16.026 -2.235 1.00 0.00 C ATOM 0 H ALA A 60 -0.389 17.376 -1.200 1.00 0.00 H new ATOM 0 HA ALA A 60 -2.287 17.899 -3.255 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.075 15.634 -2.668 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -1.304 15.692 -2.829 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -2.050 15.661 -1.213 1.00 0.00 H new ATOM 921 N GLU A 61 -4.466 17.214 -1.405 1.00 0.00 N ATOM 922 CA GLU A 61 -5.694 17.570 -0.704 1.00 0.00 C ATOM 923 C GLU A 61 -6.345 16.336 -0.094 1.00 0.00 C ATOM 924 O GLU A 61 -5.702 15.297 0.062 1.00 0.00 O ATOM 925 CB GLU A 61 -6.676 18.257 -1.658 1.00 0.00 C ATOM 926 CG GLU A 61 -6.432 17.937 -3.125 1.00 0.00 C ATOM 927 CD GLU A 61 -7.364 18.692 -4.052 1.00 0.00 C ATOM 928 OE1 GLU A 61 -7.805 19.800 -3.678 1.00 0.00 O ATOM 929 OE2 GLU A 61 -7.652 18.177 -5.152 1.00 0.00 O ATOM 0 H GLU A 61 -4.478 16.288 -1.832 1.00 0.00 H new ATOM 0 HA GLU A 61 -5.436 18.261 0.098 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -7.691 17.960 -1.395 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -6.612 19.336 -1.516 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -5.400 18.179 -3.378 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -6.557 16.866 -3.285 1.00 0.00 H new ATOM 936 N GLY A 62 -7.626 16.450 0.235 1.00 0.00 N ATOM 937 CA GLY A 62 -8.345 15.325 0.799 1.00 0.00 C ATOM 938 C GLY A 62 -8.794 14.357 -0.274 1.00 0.00 C ATOM 939 O GLY A 62 -9.615 13.474 -0.023 1.00 0.00 O ATOM 0 H GLY A 62 -8.178 17.300 0.121 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -7.707 14.806 1.514 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -9.213 15.687 1.350 1.00 0.00 H new ATOM 943 N GLY A 63 -8.248 14.528 -1.475 1.00 0.00 N ATOM 944 CA GLY A 63 -8.598 13.660 -2.582 1.00 0.00 C ATOM 945 C GLY A 63 -8.052 12.257 -2.414 1.00 0.00 C ATOM 946 O GLY A 63 -8.381 11.360 -3.192 1.00 0.00 O ATOM 0 H GLY A 63 -7.568 15.254 -1.700 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -9.683 13.615 -2.676 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -8.215 14.087 -3.509 1.00 0.00 H new ATOM 950 N THR A 64 -7.221 12.063 -1.394 1.00 0.00 N ATOM 951 CA THR A 64 -6.646 10.750 -1.127 1.00 0.00 C ATOM 952 C THR A 64 -7.695 9.830 -0.523 1.00 0.00 C ATOM 953 O THR A 64 -7.444 8.646 -0.300 1.00 0.00 O ATOM 954 CB THR A 64 -5.446 10.859 -0.187 1.00 0.00 C ATOM 955 OG1 THR A 64 -5.849 10.702 1.163 1.00 0.00 O ATOM 956 CG2 THR A 64 -4.710 12.176 -0.298 1.00 0.00 C ATOM 0 H THR A 64 -6.933 12.793 -0.743 1.00 0.00 H new ATOM 0 HA THR A 64 -6.305 10.331 -2.074 1.00 0.00 H new ATOM 0 HB THR A 64 -4.770 10.061 -0.493 1.00 0.00 H new ATOM 0 HG1 THR A 64 -5.066 10.773 1.748 1.00 0.00 H new ATOM 0 HG21 THR A 64 -3.871 12.183 0.397 1.00 0.00 H new ATOM 0 HG22 THR A 64 -4.339 12.301 -1.315 1.00 0.00 H new ATOM 0 HG23 THR A 64 -5.389 12.994 -0.056 1.00 0.00 H new ATOM 964 N GLU A 65 -8.874 10.386 -0.265 1.00 0.00 N ATOM 965 CA GLU A 65 -9.987 9.615 0.269 1.00 0.00 C ATOM 966 C GLU A 65 -10.266 8.418 -0.623 1.00 0.00 C ATOM 967 O GLU A 65 -10.811 7.404 -0.183 1.00 0.00 O ATOM 968 CB GLU A 65 -11.234 10.489 0.352 1.00 0.00 C ATOM 969 CG GLU A 65 -11.580 11.185 -0.955 1.00 0.00 C ATOM 970 CD GLU A 65 -12.946 10.792 -1.482 1.00 0.00 C ATOM 971 OE1 GLU A 65 -13.872 10.619 -0.663 1.00 0.00 O ATOM 972 OE2 GLU A 65 -13.090 10.659 -2.716 1.00 0.00 O ATOM 0 H GLU A 65 -9.082 11.373 -0.419 1.00 0.00 H new ATOM 0 HA GLU A 65 -9.724 9.266 1.268 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -12.079 9.873 0.660 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -11.089 11.242 1.127 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -11.549 12.264 -0.807 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -10.824 10.944 -1.702 1.00 0.00 H new ATOM 979 N ALA A 66 -9.856 8.545 -1.877 1.00 0.00 N ATOM 980 CA ALA A 66 -10.057 7.493 -2.866 1.00 0.00 C ATOM 981 C ALA A 66 -9.433 6.183 -2.405 1.00 0.00 C ATOM 982 O ALA A 66 -9.935 5.107 -2.720 1.00 0.00 O ATOM 983 CB ALA A 66 -9.479 7.911 -4.209 1.00 0.00 C ATOM 0 H ALA A 66 -9.379 9.372 -2.236 1.00 0.00 H new ATOM 0 HA ALA A 66 -11.130 7.336 -2.979 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -9.637 7.115 -4.937 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -9.975 8.819 -4.552 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -8.411 8.099 -4.103 1.00 0.00 H new ATOM 989 N ALA A 67 -8.377 6.279 -1.600 1.00 0.00 N ATOM 990 CA ALA A 67 -7.708 5.090 -1.084 1.00 0.00 C ATOM 991 C ALA A 67 -8.675 4.244 -0.267 1.00 0.00 C ATOM 992 O ALA A 67 -8.890 3.068 -0.566 1.00 0.00 O ATOM 993 CB ALA A 67 -6.508 5.482 -0.236 1.00 0.00 C ATOM 0 H ALA A 67 -7.969 7.162 -1.293 1.00 0.00 H new ATOM 0 HA ALA A 67 -7.360 4.498 -1.931 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -6.020 4.583 0.141 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -5.803 6.050 -0.843 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -6.840 6.094 0.603 1.00 0.00 H new ATOM 999 N GLU A 68 -9.271 4.854 0.752 1.00 0.00 N ATOM 1000 CA GLU A 68 -10.234 4.158 1.596 1.00 0.00 C ATOM 1001 C GLU A 68 -11.399 3.638 0.760 1.00 0.00 C ATOM 1002 O GLU A 68 -11.952 2.575 1.040 1.00 0.00 O ATOM 1003 CB GLU A 68 -10.752 5.092 2.692 1.00 0.00 C ATOM 1004 CG GLU A 68 -9.648 5.714 3.532 1.00 0.00 C ATOM 1005 CD GLU A 68 -10.168 6.763 4.496 1.00 0.00 C ATOM 1006 OE1 GLU A 68 -11.263 6.560 5.061 1.00 0.00 O ATOM 1007 OE2 GLU A 68 -9.478 7.787 4.686 1.00 0.00 O ATOM 0 H GLU A 68 -9.105 5.826 1.013 1.00 0.00 H new ATOM 0 HA GLU A 68 -9.733 3.310 2.063 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -11.340 5.887 2.233 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -11.424 4.535 3.345 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -9.139 4.931 4.094 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -8.907 6.167 2.873 1.00 0.00 H new ATOM 1014 N GLU A 69 -11.778 4.406 -0.258 1.00 0.00 N ATOM 1015 CA GLU A 69 -12.856 4.011 -1.153 1.00 0.00 C ATOM 1016 C GLU A 69 -12.506 2.713 -1.866 1.00 0.00 C ATOM 1017 O GLU A 69 -13.292 1.765 -1.883 1.00 0.00 O ATOM 1018 CB GLU A 69 -13.130 5.114 -2.178 1.00 0.00 C ATOM 1019 CG GLU A 69 -14.600 5.478 -2.301 1.00 0.00 C ATOM 1020 CD GLU A 69 -14.927 6.150 -3.620 1.00 0.00 C ATOM 1021 OE1 GLU A 69 -14.822 5.480 -4.669 1.00 0.00 O ATOM 1022 OE2 GLU A 69 -15.286 7.346 -3.603 1.00 0.00 O ATOM 0 H GLU A 69 -11.353 5.306 -0.482 1.00 0.00 H new ATOM 0 HA GLU A 69 -13.756 3.853 -0.558 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -12.566 6.004 -1.901 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -12.761 4.793 -3.152 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -15.203 4.576 -2.198 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -14.876 6.142 -1.481 1.00 0.00 H new ATOM 1029 N SER A 70 -11.319 2.685 -2.465 1.00 0.00 N ATOM 1030 CA SER A 70 -10.838 1.503 -3.165 1.00 0.00 C ATOM 1031 C SER A 70 -10.653 0.346 -2.194 1.00 0.00 C ATOM 1032 O SER A 70 -10.581 -0.812 -2.601 1.00 0.00 O ATOM 1033 CB SER A 70 -9.519 1.809 -3.879 1.00 0.00 C ATOM 1034 OG SER A 70 -8.433 1.805 -2.971 1.00 0.00 O ATOM 0 H SER A 70 -10.671 3.473 -2.478 1.00 0.00 H new ATOM 0 HA SER A 70 -11.582 1.216 -3.908 1.00 0.00 H new ATOM 0 HB2 SER A 70 -9.346 1.070 -4.661 1.00 0.00 H new ATOM 0 HB3 SER A 70 -9.584 2.781 -4.368 1.00 0.00 H new ATOM 0 HG SER A 70 -8.674 2.317 -2.171 1.00 0.00 H new ATOM 1040 N LEU A 71 -10.585 0.671 -0.906 1.00 0.00 N ATOM 1041 CA LEU A 71 -10.419 -0.336 0.134 1.00 0.00 C ATOM 1042 C LEU A 71 -11.719 -1.103 0.348 1.00 0.00 C ATOM 1043 O LEU A 71 -11.707 -2.284 0.694 1.00 0.00 O ATOM 1044 CB LEU A 71 -9.977 0.325 1.441 1.00 0.00 C ATOM 1045 CG LEU A 71 -8.564 -0.030 1.915 1.00 0.00 C ATOM 1046 CD1 LEU A 71 -8.431 -1.530 2.138 1.00 0.00 C ATOM 1047 CD2 LEU A 71 -7.526 0.458 0.914 1.00 0.00 C ATOM 0 H LEU A 71 -10.643 1.628 -0.558 1.00 0.00 H new ATOM 0 HA LEU A 71 -9.650 -1.040 -0.185 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -10.040 1.406 1.320 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -10.684 0.050 2.224 1.00 0.00 H new ATOM 0 HG LEU A 71 -8.387 0.472 2.866 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -7.420 -1.760 2.474 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -9.147 -1.850 2.895 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -8.631 -2.056 1.204 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -6.529 0.197 1.268 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -7.703 -0.013 -0.053 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -7.602 1.540 0.809 1.00 0.00 H new ATOM 1059 N SER A 72 -12.840 -0.420 0.130 1.00 0.00 N ATOM 1060 CA SER A 72 -14.156 -1.033 0.274 1.00 0.00 C ATOM 1061 C SER A 72 -14.354 -2.136 -0.764 1.00 0.00 C ATOM 1062 O SER A 72 -15.309 -2.908 -0.694 1.00 0.00 O ATOM 1063 CB SER A 72 -15.249 0.027 0.129 1.00 0.00 C ATOM 1064 OG SER A 72 -16.001 -0.167 -1.057 1.00 0.00 O ATOM 0 H SER A 72 -12.862 0.561 -0.148 1.00 0.00 H new ATOM 0 HA SER A 72 -14.222 -1.478 1.267 1.00 0.00 H new ATOM 0 HB2 SER A 72 -15.912 -0.011 0.993 1.00 0.00 H new ATOM 0 HB3 SER A 72 -14.797 1.019 0.118 1.00 0.00 H new ATOM 0 HG SER A 72 -16.693 0.524 -1.122 1.00 0.00 H new ATOM 1070 N GLY A 73 -13.432 -2.204 -1.720 1.00 0.00 N ATOM 1071 CA GLY A 73 -13.498 -3.211 -2.762 1.00 0.00 C ATOM 1072 C GLY A 73 -12.120 -3.573 -3.272 1.00 0.00 C ATOM 1073 O GLY A 73 -11.954 -3.988 -4.419 1.00 0.00 O ATOM 0 H GLY A 73 -12.634 -1.573 -1.791 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -13.990 -4.104 -2.376 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -14.107 -2.843 -3.587 1.00 0.00 H new ATOM 1077 N ILE A 74 -11.131 -3.399 -2.405 1.00 0.00 N ATOM 1078 CA ILE A 74 -9.740 -3.682 -2.736 1.00 0.00 C ATOM 1079 C ILE A 74 -9.486 -5.188 -2.803 1.00 0.00 C ATOM 1080 O ILE A 74 -10.425 -5.983 -2.773 1.00 0.00 O ATOM 1081 CB ILE A 74 -8.799 -3.026 -1.697 1.00 0.00 C ATOM 1082 CG1 ILE A 74 -7.452 -2.676 -2.331 1.00 0.00 C ATOM 1083 CG2 ILE A 74 -8.611 -3.925 -0.482 1.00 0.00 C ATOM 1084 CD1 ILE A 74 -7.155 -1.193 -2.330 1.00 0.00 C ATOM 0 H ILE A 74 -11.270 -3.058 -1.454 1.00 0.00 H new ATOM 0 HA ILE A 74 -9.533 -3.260 -3.719 1.00 0.00 H new ATOM 0 HB ILE A 74 -9.266 -2.101 -1.358 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -6.660 -3.198 -1.795 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -7.436 -3.042 -3.358 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -7.945 -3.439 0.231 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -9.577 -4.107 -0.011 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -8.176 -4.874 -0.795 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -6.185 -1.016 -2.794 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -7.927 -0.667 -2.891 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -7.139 -0.826 -1.304 1.00 0.00 H new ATOM 1096 N GLU A 75 -8.213 -5.569 -2.881 1.00 0.00 N ATOM 1097 CA GLU A 75 -7.825 -6.968 -2.946 1.00 0.00 C ATOM 1098 C GLU A 75 -8.492 -7.779 -1.834 1.00 0.00 C ATOM 1099 O GLU A 75 -8.031 -7.788 -0.693 1.00 0.00 O ATOM 1100 CB GLU A 75 -6.301 -7.069 -2.844 1.00 0.00 C ATOM 1101 CG GLU A 75 -5.653 -7.622 -4.100 1.00 0.00 C ATOM 1102 CD GLU A 75 -5.647 -6.633 -5.250 1.00 0.00 C ATOM 1103 OE1 GLU A 75 -6.360 -5.611 -5.163 1.00 0.00 O ATOM 1104 OE2 GLU A 75 -4.929 -6.883 -6.242 1.00 0.00 O ATOM 0 H GLU A 75 -7.428 -4.917 -2.901 1.00 0.00 H new ATOM 0 HA GLU A 75 -8.157 -7.384 -3.897 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -5.891 -6.081 -2.636 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -6.041 -7.706 -1.998 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -4.627 -7.914 -3.874 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -6.181 -8.525 -4.407 1.00 0.00 H new ATOM 1111 N GLY A 76 -9.592 -8.446 -2.183 1.00 0.00 N ATOM 1112 CA GLY A 76 -10.335 -9.236 -1.213 1.00 0.00 C ATOM 1113 C GLY A 76 -9.529 -10.389 -0.649 1.00 0.00 C ATOM 1114 O GLY A 76 -9.711 -10.774 0.507 1.00 0.00 O ATOM 0 H GLY A 76 -9.983 -8.453 -3.125 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -10.656 -8.590 -0.396 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -11.237 -9.626 -1.684 1.00 0.00 H new ATOM 1118 N VAL A 77 -8.633 -10.937 -1.461 1.00 0.00 N ATOM 1119 CA VAL A 77 -7.782 -12.040 -1.027 1.00 0.00 C ATOM 1120 C VAL A 77 -6.552 -11.500 -0.325 1.00 0.00 C ATOM 1121 O VAL A 77 -6.103 -12.046 0.681 1.00 0.00 O ATOM 1122 CB VAL A 77 -7.332 -12.910 -2.213 1.00 0.00 C ATOM 1123 CG1 VAL A 77 -6.824 -14.259 -1.725 1.00 0.00 C ATOM 1124 CG2 VAL A 77 -8.463 -13.082 -3.213 1.00 0.00 C ATOM 0 H VAL A 77 -8.476 -10.636 -2.423 1.00 0.00 H new ATOM 0 HA VAL A 77 -8.369 -12.656 -0.345 1.00 0.00 H new ATOM 0 HB VAL A 77 -6.511 -12.403 -2.719 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -6.510 -14.860 -2.578 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -5.977 -14.108 -1.056 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -7.621 -14.776 -1.190 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -8.123 -13.700 -4.044 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -9.310 -13.564 -2.725 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -8.768 -12.105 -3.589 1.00 0.00 H new ATOM 1134 N SER A 78 -6.050 -10.387 -0.836 1.00 0.00 N ATOM 1135 CA SER A 78 -4.885 -9.740 -0.270 1.00 0.00 C ATOM 1136 C SER A 78 -5.314 -8.642 0.691 1.00 0.00 C ATOM 1137 O SER A 78 -5.489 -7.491 0.291 1.00 0.00 O ATOM 1138 CB SER A 78 -4.023 -9.154 -1.393 1.00 0.00 C ATOM 1139 OG SER A 78 -3.995 -10.017 -2.517 1.00 0.00 O ATOM 0 H SER A 78 -6.439 -9.912 -1.650 1.00 0.00 H new ATOM 0 HA SER A 78 -4.299 -10.476 0.280 1.00 0.00 H new ATOM 0 HB2 SER A 78 -4.416 -8.181 -1.687 1.00 0.00 H new ATOM 0 HB3 SER A 78 -3.008 -8.991 -1.030 1.00 0.00 H new ATOM 0 HG SER A 78 -4.842 -9.947 -3.004 1.00 0.00 H new ATOM 1145 N ASN A 79 -5.525 -9.009 1.954 1.00 0.00 N ATOM 1146 CA ASN A 79 -5.920 -8.025 2.954 1.00 0.00 C ATOM 1147 C ASN A 79 -4.716 -7.215 3.352 1.00 0.00 C ATOM 1148 O ASN A 79 -3.628 -7.750 3.564 1.00 0.00 O ATOM 1149 CB ASN A 79 -6.540 -8.667 4.194 1.00 0.00 C ATOM 1150 CG ASN A 79 -7.549 -7.752 4.880 1.00 0.00 C ATOM 1151 OD1 ASN A 79 -8.668 -8.173 5.177 1.00 0.00 O ATOM 1152 ND2 ASN A 79 -7.171 -6.491 5.141 1.00 0.00 N ATOM 0 H ASN A 79 -5.431 -9.963 2.303 1.00 0.00 H new ATOM 0 HA ASN A 79 -6.682 -7.387 2.507 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -7.032 -9.598 3.911 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -5.750 -8.926 4.899 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -7.818 -5.849 5.599 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -6.237 -6.175 4.882 1.00 0.00 H new ATOM 1159 N ILE A 80 -4.912 -5.922 3.436 1.00 0.00 N ATOM 1160 CA ILE A 80 -3.829 -5.025 3.722 1.00 0.00 C ATOM 1161 C ILE A 80 -3.816 -4.571 5.169 1.00 0.00 C ATOM 1162 O ILE A 80 -4.864 -4.392 5.791 1.00 0.00 O ATOM 1163 CB ILE A 80 -3.928 -3.782 2.833 1.00 0.00 C ATOM 1164 CG1 ILE A 80 -4.167 -4.177 1.377 1.00 0.00 C ATOM 1165 CG2 ILE A 80 -2.678 -2.948 2.972 1.00 0.00 C ATOM 1166 CD1 ILE A 80 -5.328 -3.450 0.736 1.00 0.00 C ATOM 0 H ILE A 80 -5.817 -5.470 3.309 1.00 0.00 H new ATOM 0 HA ILE A 80 -2.910 -5.576 3.524 1.00 0.00 H new ATOM 0 HB ILE A 80 -4.779 -3.184 3.157 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -3.263 -3.978 0.802 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -4.348 -5.251 1.325 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -2.757 -2.066 2.336 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -2.561 -2.638 4.010 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -1.812 -3.537 2.670 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -5.439 -3.780 -0.297 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -6.243 -3.668 1.287 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -5.140 -2.376 0.755 1.00 0.00 H new ATOM 1178 N GLU A 81 -2.616 -4.323 5.672 1.00 0.00 N ATOM 1179 CA GLU A 81 -2.447 -3.746 6.985 1.00 0.00 C ATOM 1180 C GLU A 81 -2.529 -2.244 6.816 1.00 0.00 C ATOM 1181 O GLU A 81 -1.519 -1.538 6.839 1.00 0.00 O ATOM 1182 CB GLU A 81 -1.106 -4.154 7.595 1.00 0.00 C ATOM 1183 CG GLU A 81 -1.022 -3.915 9.094 1.00 0.00 C ATOM 1184 CD GLU A 81 -1.954 -4.817 9.882 1.00 0.00 C ATOM 1185 OE1 GLU A 81 -2.257 -5.927 9.397 1.00 0.00 O ATOM 1186 OE2 GLU A 81 -2.380 -4.411 10.983 1.00 0.00 O ATOM 0 H GLU A 81 -1.743 -4.516 5.182 1.00 0.00 H new ATOM 0 HA GLU A 81 -3.220 -4.103 7.666 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -0.931 -5.211 7.394 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -0.308 -3.599 7.102 1.00 0.00 H new ATOM 0 HG2 GLU A 81 0.003 -4.078 9.427 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -1.265 -2.874 9.306 1.00 0.00 H new ATOM 1193 N VAL A 82 -3.736 -1.791 6.510 1.00 0.00 N ATOM 1194 CA VAL A 82 -3.990 -0.397 6.211 1.00 0.00 C ATOM 1195 C VAL A 82 -4.114 0.415 7.495 1.00 0.00 C ATOM 1196 O VAL A 82 -5.152 1.016 7.780 1.00 0.00 O ATOM 1197 CB VAL A 82 -5.273 -0.260 5.365 1.00 0.00 C ATOM 1198 CG1 VAL A 82 -5.533 1.197 5.014 1.00 0.00 C ATOM 1199 CG2 VAL A 82 -5.170 -1.102 4.106 1.00 0.00 C ATOM 0 H VAL A 82 -4.565 -2.383 6.463 1.00 0.00 H new ATOM 0 HA VAL A 82 -3.148 -0.007 5.639 1.00 0.00 H new ATOM 0 HB VAL A 82 -6.114 -0.623 5.956 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -6.442 1.271 4.417 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -5.652 1.776 5.930 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -4.692 1.589 4.443 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -6.083 -0.994 3.520 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -4.318 -0.768 3.514 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -5.035 -2.149 4.378 1.00 0.00 H new ATOM 1209 N THR A 83 -3.062 0.367 8.298 1.00 0.00 N ATOM 1210 CA THR A 83 -3.033 1.086 9.561 1.00 0.00 C ATOM 1211 C THR A 83 -1.732 1.861 9.744 1.00 0.00 C ATOM 1212 O THR A 83 -1.532 2.499 10.779 1.00 0.00 O ATOM 1213 CB THR A 83 -3.221 0.109 10.725 1.00 0.00 C ATOM 1214 OG1 THR A 83 -4.128 -0.920 10.371 1.00 0.00 O ATOM 1215 CG2 THR A 83 -3.741 0.768 11.984 1.00 0.00 C ATOM 0 H THR A 83 -2.215 -0.164 8.096 1.00 0.00 H new ATOM 0 HA THR A 83 -3.851 1.806 9.548 1.00 0.00 H new ATOM 0 HB THR A 83 -2.228 -0.291 10.930 1.00 0.00 H new ATOM 0 HG1 THR A 83 -4.235 -1.536 11.126 1.00 0.00 H new ATOM 0 HG21 THR A 83 -3.851 0.019 12.768 1.00 0.00 H new ATOM 0 HG22 THR A 83 -3.038 1.535 12.310 1.00 0.00 H new ATOM 0 HG23 THR A 83 -4.709 1.226 11.782 1.00 0.00 H new ATOM 1223 N ASP A 84 -0.805 1.743 8.791 1.00 0.00 N ATOM 1224 CA ASP A 84 0.474 2.422 8.915 1.00 0.00 C ATOM 1225 C ASP A 84 0.391 3.855 8.403 1.00 0.00 C ATOM 1226 O ASP A 84 -0.117 4.107 7.312 1.00 0.00 O ATOM 1227 CB ASP A 84 1.559 1.646 8.175 1.00 0.00 C ATOM 1228 CG ASP A 84 1.710 0.228 8.689 1.00 0.00 C ATOM 1229 OD1 ASP A 84 0.784 -0.583 8.479 1.00 0.00 O ATOM 1230 OD2 ASP A 84 2.756 -0.072 9.302 1.00 0.00 O ATOM 0 H ASP A 84 -0.918 1.192 7.940 1.00 0.00 H new ATOM 0 HA ASP A 84 0.734 2.464 9.973 1.00 0.00 H new ATOM 0 HB2 ASP A 84 1.322 1.620 7.111 1.00 0.00 H new ATOM 0 HB3 ASP A 84 2.510 2.169 8.277 1.00 0.00 H new ATOM 1235 N VAL A 85 0.896 4.789 9.202 1.00 0.00 N ATOM 1236 CA VAL A 85 0.873 6.201 8.842 1.00 0.00 C ATOM 1237 C VAL A 85 2.053 6.945 9.466 1.00 0.00 C ATOM 1238 O VAL A 85 2.627 6.493 10.457 1.00 0.00 O ATOM 1239 CB VAL A 85 -0.450 6.862 9.284 1.00 0.00 C ATOM 1240 CG1 VAL A 85 -0.409 7.234 10.759 1.00 0.00 C ATOM 1241 CG2 VAL A 85 -0.754 8.077 8.422 1.00 0.00 C ATOM 0 H VAL A 85 1.327 4.592 10.105 1.00 0.00 H new ATOM 0 HA VAL A 85 0.953 6.263 7.757 1.00 0.00 H new ATOM 0 HB VAL A 85 -1.254 6.139 9.148 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -1.353 7.698 11.044 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -0.251 6.336 11.356 1.00 0.00 H new ATOM 0 HG13 VAL A 85 0.407 7.935 10.935 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -1.690 8.530 8.748 1.00 0.00 H new ATOM 0 HG22 VAL A 85 0.053 8.803 8.519 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -0.843 7.771 7.380 1.00 0.00 H new ATOM 1251 N ARG A 86 2.409 8.086 8.880 1.00 0.00 N ATOM 1252 CA ARG A 86 3.525 8.885 9.376 1.00 0.00 C ATOM 1253 C ARG A 86 3.287 10.369 9.131 1.00 0.00 C ATOM 1254 O ARG A 86 3.801 10.944 8.171 1.00 0.00 O ATOM 1255 CB ARG A 86 4.828 8.453 8.707 1.00 0.00 C ATOM 1256 CG ARG A 86 5.366 7.135 9.230 1.00 0.00 C ATOM 1257 CD ARG A 86 6.856 7.210 9.517 1.00 0.00 C ATOM 1258 NE ARG A 86 7.383 5.944 10.019 1.00 0.00 N ATOM 1259 CZ ARG A 86 8.585 5.468 9.706 1.00 0.00 C ATOM 1260 NH1 ARG A 86 9.382 6.149 8.894 1.00 0.00 N ATOM 1261 NH2 ARG A 86 8.990 4.308 10.205 1.00 0.00 N ATOM 0 H ARG A 86 1.941 8.477 8.062 1.00 0.00 H new ATOM 0 HA ARG A 86 3.603 8.720 10.451 1.00 0.00 H new ATOM 0 HB2 ARG A 86 4.666 8.370 7.632 1.00 0.00 H new ATOM 0 HB3 ARG A 86 5.579 9.229 8.857 1.00 0.00 H new ATOM 0 HG2 ARG A 86 4.833 6.860 10.141 1.00 0.00 H new ATOM 0 HG3 ARG A 86 5.175 6.349 8.500 1.00 0.00 H new ATOM 0 HD2 ARG A 86 7.387 7.487 8.606 1.00 0.00 H new ATOM 0 HD3 ARG A 86 7.045 7.996 10.248 1.00 0.00 H new ATOM 0 HE ARG A 86 6.796 5.393 10.645 1.00 0.00 H new ATOM 0 HH11 ARG A 86 9.074 7.041 8.507 1.00 0.00 H new ATOM 0 HH12 ARG A 86 10.303 5.781 8.656 1.00 0.00 H new ATOM 0 HH21 ARG A 86 8.380 3.780 10.829 1.00 0.00 H new ATOM 0 HH22 ARG A 86 9.912 3.943 9.965 1.00 0.00 H new ATOM 1275 N ARG A 87 2.516 10.985 10.017 1.00 0.00 N ATOM 1276 CA ARG A 87 2.208 12.404 9.906 1.00 0.00 C ATOM 1277 C ARG A 87 3.375 13.259 10.387 1.00 0.00 C ATOM 1278 O ARG A 87 3.386 13.726 11.527 1.00 0.00 O ATOM 1279 CB ARG A 87 0.951 12.739 10.709 1.00 0.00 C ATOM 1280 CG ARG A 87 -0.317 12.175 10.094 1.00 0.00 C ATOM 1281 CD ARG A 87 -0.593 10.769 10.590 1.00 0.00 C ATOM 1282 NE ARG A 87 -1.984 10.594 10.997 1.00 0.00 N ATOM 1283 CZ ARG A 87 -2.486 11.062 12.135 1.00 0.00 C ATOM 1284 NH1 ARG A 87 -1.712 11.731 12.980 1.00 0.00 N ATOM 1285 NH2 ARG A 87 -3.763 10.860 12.431 1.00 0.00 N ATOM 0 H ARG A 87 2.092 10.523 10.822 1.00 0.00 H new ATOM 0 HA ARG A 87 2.030 12.627 8.854 1.00 0.00 H new ATOM 0 HB2 ARG A 87 1.060 12.351 11.722 1.00 0.00 H new ATOM 0 HB3 ARG A 87 0.857 13.822 10.791 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -1.160 12.821 10.338 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -0.225 12.168 9.008 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -0.353 10.054 9.803 1.00 0.00 H new ATOM 0 HD3 ARG A 87 0.062 10.547 11.433 1.00 0.00 H new ATOM 0 HE ARG A 87 -2.607 10.083 10.372 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -0.729 11.887 12.757 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -2.100 12.089 13.853 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -4.361 10.345 11.785 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -4.147 11.220 13.305 1.00 0.00 H new ATOM 1299 N LEU A 88 4.354 13.468 9.511 1.00 0.00 N ATOM 1300 CA LEU A 88 5.515 14.282 9.852 1.00 0.00 C ATOM 1301 C LEU A 88 5.182 15.759 9.715 1.00 0.00 C ATOM 1302 O LEU A 88 5.441 16.362 8.675 1.00 0.00 O ATOM 1303 CB LEU A 88 6.701 13.952 8.943 1.00 0.00 C ATOM 1304 CG LEU A 88 7.497 12.705 9.313 1.00 0.00 C ATOM 1305 CD1 LEU A 88 6.604 11.474 9.305 1.00 0.00 C ATOM 1306 CD2 LEU A 88 8.654 12.540 8.345 1.00 0.00 C ATOM 0 H LEU A 88 4.366 13.087 8.565 1.00 0.00 H new ATOM 0 HA LEU A 88 5.785 14.060 10.884 1.00 0.00 H new ATOM 0 HB2 LEU A 88 6.331 13.835 7.924 1.00 0.00 H new ATOM 0 HB3 LEU A 88 7.380 14.805 8.940 1.00 0.00 H new ATOM 0 HG LEU A 88 7.892 12.819 10.322 1.00 0.00 H new ATOM 0 HD11 LEU A 88 7.192 10.596 9.572 1.00 0.00 H new ATOM 0 HD12 LEU A 88 5.798 11.604 10.028 1.00 0.00 H new ATOM 0 HD13 LEU A 88 6.180 11.338 8.310 1.00 0.00 H new ATOM 0 HD21 LEU A 88 9.224 11.649 8.608 1.00 0.00 H new ATOM 0 HD22 LEU A 88 8.268 12.438 7.331 1.00 0.00 H new ATOM 0 HD23 LEU A 88 9.302 13.415 8.400 1.00 0.00 H new ATOM 1318 N MET A 89 4.589 16.329 10.758 1.00 0.00 N ATOM 1319 CA MET A 89 4.219 17.740 10.752 1.00 0.00 C ATOM 1320 C MET A 89 5.317 18.593 11.374 1.00 0.00 C ATOM 1321 O MET A 89 6.216 18.018 12.023 1.00 0.00 O ATOM 1322 CB MET A 89 2.902 17.949 11.506 1.00 0.00 C ATOM 1323 CG MET A 89 2.824 17.192 12.821 1.00 0.00 C ATOM 1324 SD MET A 89 2.341 18.245 14.203 1.00 0.00 S ATOM 1325 CE MET A 89 3.900 19.041 14.581 1.00 0.00 C ATOM 1326 OXT MET A 89 5.272 19.830 11.206 1.00 0.00 O ATOM 0 H MET A 89 4.354 15.835 11.619 1.00 0.00 H new ATOM 0 HA MET A 89 4.087 18.050 9.715 1.00 0.00 H new ATOM 0 HB2 MET A 89 2.770 19.013 11.701 1.00 0.00 H new ATOM 0 HB3 MET A 89 2.075 17.637 10.868 1.00 0.00 H new ATOM 0 HG2 MET A 89 2.108 16.376 12.724 1.00 0.00 H new ATOM 0 HG3 MET A 89 3.793 16.742 13.034 1.00 0.00 H new ATOM 0 HE1 MET A 89 3.801 19.616 15.502 1.00 0.00 H new ATOM 0 HE2 MET A 89 4.674 18.284 14.707 1.00 0.00 H new ATOM 0 HE3 MET A 89 4.175 19.709 13.765 1.00 0.00 H new TER 1336 MET A 89