USER MOD reduce.3.24.130724 H: found=0, std=0, add=457, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 390 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 39 THR OG1 : rot 140:sc= 0.156 USER MOD Set 1.2: A 48 ASN : amide:sc= -5.99! C(o=-5.8!,f=-4!) USER MOD Single : A 1 GLY N :NH3+ -114:sc= 0.0705 (180deg=0) USER MOD Single : A 2 SER OG : rot 16:sc= 1.14 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 47:sc= 0.847 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 15 THR OG1 : rot 168:sc= 0.127 USER MOD Single : A 18 GLN : amide:sc= -2.47! C(o=-2.5!,f=-3.3!) USER MOD Single : A 21 LYS NZ :NH3+ -128:sc= -0.681 (180deg=-2.22!) USER MOD Single : A 26 HIS : no HD1:sc= -0.0922 K(o=-0.092,f=-1.6!) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 CYS SG : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot -120:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 6.150 25.165 6.782 1.00 0.00 N ATOM 2 CA GLY A 1 5.947 23.809 6.301 1.00 0.00 C ATOM 3 C GLY A 1 6.428 22.784 7.330 1.00 0.00 C ATOM 4 O GLY A 1 7.276 23.090 8.166 1.00 0.00 O ATOM 0 H1 GLY A 1 5.228 25.622 6.930 1.00 0.00 H new ATOM 0 H2 GLY A 1 6.673 25.140 7.681 1.00 0.00 H new ATOM 0 H3 GLY A 1 6.695 25.705 6.080 1.00 0.00 H new ATOM 0 HA2 GLY A 1 4.890 23.649 6.090 1.00 0.00 H new ATOM 0 HA3 GLY A 1 6.484 23.668 5.363 1.00 0.00 H new ATOM 8 N SER A 2 5.866 21.588 7.233 1.00 0.00 N ATOM 9 CA SER A 2 6.227 20.516 8.146 1.00 0.00 C ATOM 10 C SER A 2 7.647 20.031 7.847 1.00 0.00 C ATOM 11 O SER A 2 7.863 19.274 6.901 1.00 0.00 O ATOM 12 CB SER A 2 5.238 19.353 8.048 1.00 0.00 C ATOM 13 OG SER A 2 5.390 18.623 6.834 1.00 0.00 O ATOM 0 H SER A 2 5.164 21.338 6.537 1.00 0.00 H new ATOM 0 HA SER A 2 6.189 20.905 9.163 1.00 0.00 H new ATOM 0 HB2 SER A 2 5.383 18.682 8.895 1.00 0.00 H new ATOM 0 HB3 SER A 2 4.220 19.736 8.115 1.00 0.00 H new ATOM 0 HG SER A 2 6.251 18.847 6.423 1.00 0.00 H new ATOM 18 N SER A 3 8.580 20.487 8.671 1.00 0.00 N ATOM 19 CA SER A 3 9.973 20.108 8.507 1.00 0.00 C ATOM 20 C SER A 3 10.377 19.113 9.597 1.00 0.00 C ATOM 21 O SER A 3 9.667 18.952 10.588 1.00 0.00 O ATOM 22 CB SER A 3 10.885 21.337 8.545 1.00 0.00 C ATOM 23 OG SER A 3 10.989 21.964 7.270 1.00 0.00 O ATOM 0 H SER A 3 8.398 21.115 9.454 1.00 0.00 H new ATOM 0 HA SER A 3 10.087 19.634 7.532 1.00 0.00 H new ATOM 0 HB2 SER A 3 10.499 22.053 9.271 1.00 0.00 H new ATOM 0 HB3 SER A 3 11.877 21.042 8.886 1.00 0.00 H new ATOM 0 HG SER A 3 11.578 22.745 7.336 1.00 0.00 H new ATOM 28 N GLY A 4 11.516 18.473 9.376 1.00 0.00 N ATOM 29 CA GLY A 4 12.022 17.498 10.326 1.00 0.00 C ATOM 30 C GLY A 4 13.105 16.625 9.690 1.00 0.00 C ATOM 31 O GLY A 4 14.292 16.934 9.783 1.00 0.00 O ATOM 0 H GLY A 4 12.102 18.611 8.553 1.00 0.00 H new ATOM 0 HA2 GLY A 4 12.429 18.011 11.198 1.00 0.00 H new ATOM 0 HA3 GLY A 4 11.204 16.870 10.679 1.00 0.00 H new ATOM 35 N SER A 5 12.658 15.549 9.058 1.00 0.00 N ATOM 36 CA SER A 5 13.574 14.627 8.408 1.00 0.00 C ATOM 37 C SER A 5 12.837 13.832 7.329 1.00 0.00 C ATOM 38 O SER A 5 12.454 12.685 7.552 1.00 0.00 O ATOM 39 CB SER A 5 14.215 13.680 9.423 1.00 0.00 C ATOM 40 OG SER A 5 13.246 12.864 10.078 1.00 0.00 O ATOM 0 H SER A 5 11.673 15.295 8.982 1.00 0.00 H new ATOM 0 HA SER A 5 14.370 15.207 7.942 1.00 0.00 H new ATOM 0 HB2 SER A 5 14.942 13.044 8.917 1.00 0.00 H new ATOM 0 HB3 SER A 5 14.762 14.261 10.166 1.00 0.00 H new ATOM 0 HG SER A 5 12.635 12.483 9.413 1.00 0.00 H new ATOM 45 N SER A 6 12.661 14.473 6.182 1.00 0.00 N ATOM 46 CA SER A 6 11.977 13.838 5.069 1.00 0.00 C ATOM 47 C SER A 6 12.119 14.697 3.810 1.00 0.00 C ATOM 48 O SER A 6 11.895 15.906 3.850 1.00 0.00 O ATOM 49 CB SER A 6 10.499 13.606 5.389 1.00 0.00 C ATOM 50 OG SER A 6 9.749 13.261 4.228 1.00 0.00 O ATOM 0 H SER A 6 12.980 15.425 6.000 1.00 0.00 H new ATOM 0 HA SER A 6 12.439 12.866 4.894 1.00 0.00 H new ATOM 0 HB2 SER A 6 10.409 12.810 6.128 1.00 0.00 H new ATOM 0 HB3 SER A 6 10.079 14.507 5.837 1.00 0.00 H new ATOM 0 HG SER A 6 8.811 13.119 4.475 1.00 0.00 H new ATOM 55 N GLY A 7 12.491 14.038 2.721 1.00 0.00 N ATOM 56 CA GLY A 7 12.666 14.727 1.454 1.00 0.00 C ATOM 57 C GLY A 7 11.315 15.007 0.791 1.00 0.00 C ATOM 58 O GLY A 7 10.975 14.392 -0.218 1.00 0.00 O ATOM 0 H GLY A 7 12.676 13.035 2.691 1.00 0.00 H new ATOM 0 HA2 GLY A 7 13.197 15.665 1.616 1.00 0.00 H new ATOM 0 HA3 GLY A 7 13.283 14.122 0.789 1.00 0.00 H new ATOM 62 N SER A 8 10.581 15.935 1.387 1.00 0.00 N ATOM 63 CA SER A 8 9.276 16.304 0.868 1.00 0.00 C ATOM 64 C SER A 8 8.310 15.125 0.992 1.00 0.00 C ATOM 65 O SER A 8 8.727 13.968 0.942 1.00 0.00 O ATOM 66 CB SER A 8 9.371 16.760 -0.589 1.00 0.00 C ATOM 67 OG SER A 8 8.804 18.053 -0.783 1.00 0.00 O ATOM 0 H SER A 8 10.866 16.442 2.225 1.00 0.00 H new ATOM 0 HA SER A 8 8.898 17.139 1.458 1.00 0.00 H new ATOM 0 HB2 SER A 8 10.416 16.773 -0.897 1.00 0.00 H new ATOM 0 HB3 SER A 8 8.859 16.040 -1.228 1.00 0.00 H new ATOM 0 HG SER A 8 8.886 18.308 -1.726 1.00 0.00 H new ATOM 72 N PRO A 9 7.004 15.466 1.159 1.00 0.00 N ATOM 73 CA PRO A 9 5.975 14.448 1.292 1.00 0.00 C ATOM 74 C PRO A 9 5.670 13.798 -0.059 1.00 0.00 C ATOM 75 O PRO A 9 4.922 14.351 -0.863 1.00 0.00 O ATOM 76 CB PRO A 9 4.779 15.173 1.886 1.00 0.00 C ATOM 77 CG PRO A 9 5.019 16.652 1.633 1.00 0.00 C ATOM 78 CD PRO A 9 6.474 16.825 1.225 1.00 0.00 C ATOM 0 HA PRO A 9 6.281 13.621 1.933 1.00 0.00 H new ATOM 0 HB2 PRO A 9 3.851 14.843 1.419 1.00 0.00 H new ATOM 0 HB3 PRO A 9 4.689 14.969 2.953 1.00 0.00 H new ATOM 0 HG2 PRO A 9 4.356 17.018 0.848 1.00 0.00 H new ATOM 0 HG3 PRO A 9 4.802 17.233 2.530 1.00 0.00 H new ATOM 0 HD2 PRO A 9 6.558 17.330 0.263 1.00 0.00 H new ATOM 0 HD3 PRO A 9 7.020 17.428 1.950 1.00 0.00 H new ATOM 83 N ASP A 10 6.264 12.632 -0.267 1.00 0.00 N ATOM 84 CA ASP A 10 6.065 11.901 -1.507 1.00 0.00 C ATOM 85 C ASP A 10 5.260 10.632 -1.221 1.00 0.00 C ATOM 86 O ASP A 10 5.793 9.661 -0.686 1.00 0.00 O ATOM 87 CB ASP A 10 7.402 11.484 -2.121 1.00 0.00 C ATOM 88 CG ASP A 10 8.293 10.633 -1.214 1.00 0.00 C ATOM 89 OD1 ASP A 10 8.638 11.136 -0.123 1.00 0.00 O ATOM 90 OD2 ASP A 10 8.611 9.498 -1.632 1.00 0.00 O ATOM 0 H ASP A 10 6.883 12.175 0.403 1.00 0.00 H new ATOM 0 HA ASP A 10 5.537 12.553 -2.202 1.00 0.00 H new ATOM 0 HB2 ASP A 10 7.206 10.928 -3.038 1.00 0.00 H new ATOM 0 HB3 ASP A 10 7.950 12.382 -2.404 1.00 0.00 H new ATOM 94 N VAL A 11 3.988 10.680 -1.590 1.00 0.00 N ATOM 95 CA VAL A 11 3.104 9.546 -1.381 1.00 0.00 C ATOM 96 C VAL A 11 3.137 8.645 -2.616 1.00 0.00 C ATOM 97 O VAL A 11 2.100 8.139 -3.047 1.00 0.00 O ATOM 98 CB VAL A 11 1.697 10.037 -1.035 1.00 0.00 C ATOM 99 CG1 VAL A 11 0.781 8.866 -0.676 1.00 0.00 C ATOM 100 CG2 VAL A 11 1.738 11.068 0.095 1.00 0.00 C ATOM 0 H VAL A 11 3.549 11.487 -2.033 1.00 0.00 H new ATOM 0 HA VAL A 11 3.442 8.948 -0.535 1.00 0.00 H new ATOM 0 HB VAL A 11 1.286 10.525 -1.919 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -0.213 9.242 -0.434 1.00 0.00 H new ATOM 0 HG12 VAL A 11 0.714 8.183 -1.523 1.00 0.00 H new ATOM 0 HG13 VAL A 11 1.188 8.337 0.186 1.00 0.00 H new ATOM 0 HG21 VAL A 11 0.725 11.400 0.321 1.00 0.00 H new ATOM 0 HG22 VAL A 11 2.179 10.616 0.984 1.00 0.00 H new ATOM 0 HG23 VAL A 11 2.340 11.923 -0.214 1.00 0.00 H new ATOM 110 N GLN A 12 4.336 8.471 -3.152 1.00 0.00 N ATOM 111 CA GLN A 12 4.516 7.639 -4.330 1.00 0.00 C ATOM 112 C GLN A 12 4.048 6.210 -4.047 1.00 0.00 C ATOM 113 O GLN A 12 3.986 5.790 -2.892 1.00 0.00 O ATOM 114 CB GLN A 12 5.973 7.657 -4.794 1.00 0.00 C ATOM 115 CG GLN A 12 6.297 8.956 -5.536 1.00 0.00 C ATOM 116 CD GLN A 12 7.466 8.758 -6.502 1.00 0.00 C ATOM 117 OE1 GLN A 12 8.306 7.891 -6.333 1.00 0.00 O ATOM 118 NE2 GLN A 12 7.472 9.610 -7.525 1.00 0.00 N ATOM 0 H GLN A 12 5.193 8.892 -2.792 1.00 0.00 H new ATOM 0 HA GLN A 12 3.906 8.047 -5.137 1.00 0.00 H new ATOM 0 HB2 GLN A 12 6.634 7.551 -3.933 1.00 0.00 H new ATOM 0 HB3 GLN A 12 6.161 6.805 -5.447 1.00 0.00 H new ATOM 0 HG2 GLN A 12 5.419 9.293 -6.086 1.00 0.00 H new ATOM 0 HG3 GLN A 12 6.543 9.738 -4.817 1.00 0.00 H new ATOM 0 HE21 GLN A 12 6.738 10.313 -7.607 1.00 0.00 H new ATOM 0 HE22 GLN A 12 8.211 9.560 -8.226 1.00 0.00 H new ATOM 125 N LEU A 13 3.731 5.502 -5.121 1.00 0.00 N ATOM 126 CA LEU A 13 3.269 4.130 -5.003 1.00 0.00 C ATOM 127 C LEU A 13 4.215 3.357 -4.081 1.00 0.00 C ATOM 128 O LEU A 13 3.770 2.554 -3.261 1.00 0.00 O ATOM 129 CB LEU A 13 3.107 3.498 -6.387 1.00 0.00 C ATOM 130 CG LEU A 13 1.776 2.789 -6.649 1.00 0.00 C ATOM 131 CD1 LEU A 13 1.679 2.328 -8.104 1.00 0.00 C ATOM 132 CD2 LEU A 13 1.567 1.636 -5.666 1.00 0.00 C ATOM 0 H LEU A 13 3.785 5.853 -6.077 1.00 0.00 H new ATOM 0 HA LEU A 13 2.280 4.098 -4.546 1.00 0.00 H new ATOM 0 HB2 LEU A 13 3.235 4.278 -7.138 1.00 0.00 H new ATOM 0 HB3 LEU A 13 3.914 2.780 -6.533 1.00 0.00 H new ATOM 0 HG LEU A 13 0.969 3.503 -6.483 1.00 0.00 H new ATOM 0 HD11 LEU A 13 0.724 1.827 -8.264 1.00 0.00 H new ATOM 0 HD12 LEU A 13 1.751 3.192 -8.765 1.00 0.00 H new ATOM 0 HD13 LEU A 13 2.493 1.636 -8.321 1.00 0.00 H new ATOM 0 HD21 LEU A 13 0.614 1.149 -5.874 1.00 0.00 H new ATOM 0 HD22 LEU A 13 2.375 0.913 -5.776 1.00 0.00 H new ATOM 0 HD23 LEU A 13 1.562 2.023 -4.647 1.00 0.00 H new ATOM 143 N ALA A 14 5.502 3.624 -4.247 1.00 0.00 N ATOM 144 CA ALA A 14 6.514 2.963 -3.440 1.00 0.00 C ATOM 145 C ALA A 14 6.206 3.190 -1.959 1.00 0.00 C ATOM 146 O ALA A 14 6.242 2.252 -1.164 1.00 0.00 O ATOM 147 CB ALA A 14 7.899 3.480 -3.834 1.00 0.00 C ATOM 0 H ALA A 14 5.867 4.289 -4.929 1.00 0.00 H new ATOM 0 HA ALA A 14 6.505 1.888 -3.618 1.00 0.00 H new ATOM 0 HB1 ALA A 14 8.658 2.984 -3.229 1.00 0.00 H new ATOM 0 HB2 ALA A 14 8.080 3.269 -4.888 1.00 0.00 H new ATOM 0 HB3 ALA A 14 7.947 4.556 -3.666 1.00 0.00 H new ATOM 153 N THR A 15 5.910 4.440 -1.633 1.00 0.00 N ATOM 154 CA THR A 15 5.597 4.800 -0.261 1.00 0.00 C ATOM 155 C THR A 15 4.318 4.097 0.197 1.00 0.00 C ATOM 156 O THR A 15 4.004 4.084 1.386 1.00 0.00 O ATOM 157 CB THR A 15 5.513 6.326 -0.181 1.00 0.00 C ATOM 158 OG1 THR A 15 6.849 6.761 -0.421 1.00 0.00 O ATOM 159 CG2 THR A 15 5.208 6.823 1.234 1.00 0.00 C ATOM 0 H THR A 15 5.880 5.215 -2.295 1.00 0.00 H new ATOM 0 HA THR A 15 6.377 4.466 0.423 1.00 0.00 H new ATOM 0 HB THR A 15 4.743 6.683 -0.865 1.00 0.00 H new ATOM 0 HG1 THR A 15 6.855 7.729 -0.576 1.00 0.00 H new ATOM 0 HG21 THR A 15 5.159 7.912 1.235 1.00 0.00 H new ATOM 0 HG22 THR A 15 4.252 6.417 1.564 1.00 0.00 H new ATOM 0 HG23 THR A 15 5.995 6.495 1.913 1.00 0.00 H new ATOM 167 N LEU A 16 3.615 3.528 -0.771 1.00 0.00 N ATOM 168 CA LEU A 16 2.377 2.824 -0.482 1.00 0.00 C ATOM 169 C LEU A 16 2.679 1.340 -0.259 1.00 0.00 C ATOM 170 O LEU A 16 2.493 0.824 0.841 1.00 0.00 O ATOM 171 CB LEU A 16 1.345 3.082 -1.581 1.00 0.00 C ATOM 172 CG LEU A 16 1.012 4.550 -1.858 1.00 0.00 C ATOM 173 CD1 LEU A 16 -0.009 4.678 -2.990 1.00 0.00 C ATOM 174 CD2 LEU A 16 0.547 5.256 -0.584 1.00 0.00 C ATOM 0 H LEU A 16 3.879 3.540 -1.756 1.00 0.00 H new ATOM 0 HA LEU A 16 1.931 3.201 0.438 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.707 2.632 -2.505 1.00 0.00 H new ATOM 0 HB3 LEU A 16 0.423 2.565 -1.315 1.00 0.00 H new ATOM 0 HG LEU A 16 1.922 5.050 -2.189 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -0.227 5.731 -3.166 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.398 4.235 -3.899 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.926 4.159 -2.713 1.00 0.00 H new ATOM 0 HD21 LEU A 16 0.317 6.298 -0.809 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -0.345 4.762 -0.199 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.337 5.213 0.165 1.00 0.00 H new ATOM 185 N ALA A 17 3.140 0.697 -1.322 1.00 0.00 N ATOM 186 CA ALA A 17 3.470 -0.717 -1.256 1.00 0.00 C ATOM 187 C ALA A 17 4.335 -0.977 -0.021 1.00 0.00 C ATOM 188 O ALA A 17 4.206 -2.016 0.624 1.00 0.00 O ATOM 189 CB ALA A 17 4.162 -1.141 -2.553 1.00 0.00 C ATOM 0 H ALA A 17 3.293 1.129 -2.233 1.00 0.00 H new ATOM 0 HA ALA A 17 2.566 -1.318 -1.158 1.00 0.00 H new ATOM 0 HB1 ALA A 17 4.410 -2.201 -2.504 1.00 0.00 H new ATOM 0 HB2 ALA A 17 3.495 -0.963 -3.396 1.00 0.00 H new ATOM 0 HB3 ALA A 17 5.075 -0.561 -2.684 1.00 0.00 H new ATOM 195 N GLN A 18 5.198 -0.015 0.271 1.00 0.00 N ATOM 196 CA GLN A 18 6.084 -0.127 1.417 1.00 0.00 C ATOM 197 C GLN A 18 5.271 -0.194 2.712 1.00 0.00 C ATOM 198 O GLN A 18 5.622 -0.931 3.632 1.00 0.00 O ATOM 199 CB GLN A 18 7.081 1.033 1.455 1.00 0.00 C ATOM 200 CG GLN A 18 6.468 2.261 2.130 1.00 0.00 C ATOM 201 CD GLN A 18 7.490 3.395 2.237 1.00 0.00 C ATOM 202 OE1 GLN A 18 8.238 3.680 1.316 1.00 0.00 O ATOM 203 NE2 GLN A 18 7.479 4.024 3.408 1.00 0.00 N ATOM 0 H GLN A 18 5.302 0.846 -0.266 1.00 0.00 H new ATOM 0 HA GLN A 18 6.655 -1.050 1.321 1.00 0.00 H new ATOM 0 HB2 GLN A 18 7.979 0.728 1.993 1.00 0.00 H new ATOM 0 HB3 GLN A 18 7.388 1.287 0.440 1.00 0.00 H new ATOM 0 HG2 GLN A 18 5.602 2.599 1.561 1.00 0.00 H new ATOM 0 HG3 GLN A 18 6.111 1.994 3.124 1.00 0.00 H new ATOM 0 HE21 GLN A 18 6.826 3.734 4.136 1.00 0.00 H new ATOM 0 HE22 GLN A 18 8.123 4.796 3.578 1.00 0.00 H new ATOM 210 N ARG A 19 4.201 0.587 2.742 1.00 0.00 N ATOM 211 CA ARG A 19 3.336 0.625 3.909 1.00 0.00 C ATOM 212 C ARG A 19 2.410 -0.594 3.924 1.00 0.00 C ATOM 213 O ARG A 19 2.545 -1.469 4.778 1.00 0.00 O ATOM 214 CB ARG A 19 2.490 1.899 3.925 1.00 0.00 C ATOM 215 CG ARG A 19 3.351 3.125 4.237 1.00 0.00 C ATOM 216 CD ARG A 19 3.632 3.231 5.737 1.00 0.00 C ATOM 217 NE ARG A 19 3.158 4.536 6.250 1.00 0.00 N ATOM 218 CZ ARG A 19 1.901 4.777 6.645 1.00 0.00 C ATOM 219 NH1 ARG A 19 0.983 3.802 6.590 1.00 0.00 N ATOM 220 NH2 ARG A 19 1.561 5.992 7.097 1.00 0.00 N ATOM 0 H ARG A 19 3.914 1.198 1.977 1.00 0.00 H new ATOM 0 HA ARG A 19 3.972 0.613 4.794 1.00 0.00 H new ATOM 0 HB2 ARG A 19 2.003 2.029 2.958 1.00 0.00 H new ATOM 0 HB3 ARG A 19 1.700 1.806 4.670 1.00 0.00 H new ATOM 0 HG2 ARG A 19 4.292 3.061 3.691 1.00 0.00 H new ATOM 0 HG3 ARG A 19 2.844 4.027 3.894 1.00 0.00 H new ATOM 0 HD2 ARG A 19 3.133 2.420 6.267 1.00 0.00 H new ATOM 0 HD3 ARG A 19 4.701 3.124 5.924 1.00 0.00 H new ATOM 0 HE ARG A 19 3.831 5.300 6.306 1.00 0.00 H new ATOM 0 HH11 ARG A 19 1.242 2.877 6.247 1.00 0.00 H new ATOM 0 HH12 ARG A 19 0.026 3.985 6.891 1.00 0.00 H new ATOM 0 HH21 ARG A 19 2.260 6.734 7.140 1.00 0.00 H new ATOM 0 HH22 ARG A 19 0.604 6.175 7.398 1.00 0.00 H new ATOM 231 N VAL A 20 1.492 -0.610 2.969 1.00 0.00 N ATOM 232 CA VAL A 20 0.545 -1.707 2.863 1.00 0.00 C ATOM 233 C VAL A 20 1.266 -3.028 3.138 1.00 0.00 C ATOM 234 O VAL A 20 0.722 -3.909 3.802 1.00 0.00 O ATOM 235 CB VAL A 20 -0.141 -1.675 1.495 1.00 0.00 C ATOM 236 CG1 VAL A 20 -1.419 -0.834 1.542 1.00 0.00 C ATOM 237 CG2 VAL A 20 0.814 -1.161 0.415 1.00 0.00 C ATOM 0 H VAL A 20 1.384 0.118 2.263 1.00 0.00 H new ATOM 0 HA VAL A 20 -0.242 -1.605 3.610 1.00 0.00 H new ATOM 0 HB VAL A 20 -0.421 -2.696 1.237 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -1.887 -0.828 0.558 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -2.109 -1.262 2.269 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -1.172 0.187 1.833 1.00 0.00 H new ATOM 0 HG21 VAL A 20 0.302 -1.148 -0.547 1.00 0.00 H new ATOM 0 HG22 VAL A 20 1.139 -0.151 0.667 1.00 0.00 H new ATOM 0 HG23 VAL A 20 1.682 -1.817 0.355 1.00 0.00 H new ATOM 247 N LYS A 21 2.480 -3.123 2.615 1.00 0.00 N ATOM 248 CA LYS A 21 3.282 -4.321 2.796 1.00 0.00 C ATOM 249 C LYS A 21 3.678 -4.445 4.269 1.00 0.00 C ATOM 250 O LYS A 21 3.517 -5.505 4.871 1.00 0.00 O ATOM 251 CB LYS A 21 4.473 -4.319 1.836 1.00 0.00 C ATOM 252 CG LYS A 21 5.284 -5.609 1.967 1.00 0.00 C ATOM 253 CD LYS A 21 4.670 -6.730 1.125 1.00 0.00 C ATOM 254 CE LYS A 21 5.567 -7.970 1.125 1.00 0.00 C ATOM 255 NZ LYS A 21 5.223 -8.859 -0.008 1.00 0.00 N ATOM 0 H LYS A 21 2.928 -2.389 2.066 1.00 0.00 H new ATOM 0 HA LYS A 21 2.703 -5.210 2.545 1.00 0.00 H new ATOM 0 HB2 LYS A 21 4.118 -4.211 0.811 1.00 0.00 H new ATOM 0 HB3 LYS A 21 5.112 -3.461 2.045 1.00 0.00 H new ATOM 0 HG2 LYS A 21 6.311 -5.431 1.649 1.00 0.00 H new ATOM 0 HG3 LYS A 21 5.323 -5.914 3.013 1.00 0.00 H new ATOM 0 HD2 LYS A 21 3.687 -6.988 1.518 1.00 0.00 H new ATOM 0 HD3 LYS A 21 4.523 -6.383 0.102 1.00 0.00 H new ATOM 0 HE2 LYS A 21 6.612 -7.670 1.055 1.00 0.00 H new ATOM 0 HE3 LYS A 21 5.453 -8.509 2.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 5.061 -9.824 0.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 4.360 -8.511 -0.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 6.006 -8.868 -0.693 1.00 0.00 H new ATOM 265 N GLU A 22 4.189 -3.347 4.806 1.00 0.00 N ATOM 266 CA GLU A 22 4.611 -3.321 6.196 1.00 0.00 C ATOM 267 C GLU A 22 3.471 -3.784 7.105 1.00 0.00 C ATOM 268 O GLU A 22 3.682 -4.596 8.005 1.00 0.00 O ATOM 269 CB GLU A 22 5.096 -1.925 6.595 1.00 0.00 C ATOM 270 CG GLU A 22 6.624 -1.845 6.558 1.00 0.00 C ATOM 271 CD GLU A 22 7.204 -1.784 7.972 1.00 0.00 C ATOM 272 OE1 GLU A 22 7.338 -0.650 8.482 1.00 0.00 O ATOM 273 OE2 GLU A 22 7.502 -2.871 8.511 1.00 0.00 O ATOM 0 H GLU A 22 4.320 -2.469 4.304 1.00 0.00 H new ATOM 0 HA GLU A 22 5.448 -4.009 6.315 1.00 0.00 H new ATOM 0 HB2 GLU A 22 4.673 -1.182 5.919 1.00 0.00 H new ATOM 0 HB3 GLU A 22 4.740 -1.685 7.597 1.00 0.00 H new ATOM 0 HG2 GLU A 22 7.025 -2.713 6.034 1.00 0.00 H new ATOM 0 HG3 GLU A 22 6.932 -0.963 5.996 1.00 0.00 H new ATOM 278 N VAL A 23 2.289 -3.250 6.838 1.00 0.00 N ATOM 279 CA VAL A 23 1.115 -3.600 7.621 1.00 0.00 C ATOM 280 C VAL A 23 0.701 -5.036 7.297 1.00 0.00 C ATOM 281 O VAL A 23 0.273 -5.777 8.181 1.00 0.00 O ATOM 282 CB VAL A 23 -0.001 -2.585 7.371 1.00 0.00 C ATOM 283 CG1 VAL A 23 -1.290 -3.000 8.084 1.00 0.00 C ATOM 284 CG2 VAL A 23 0.430 -1.179 7.795 1.00 0.00 C ATOM 0 H VAL A 23 2.118 -2.577 6.090 1.00 0.00 H new ATOM 0 HA VAL A 23 1.340 -3.560 8.687 1.00 0.00 H new ATOM 0 HB VAL A 23 -0.201 -2.566 6.300 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -2.067 -2.261 7.890 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -1.613 -3.973 7.714 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -1.108 -3.062 9.157 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -0.382 -0.477 7.606 1.00 0.00 H new ATOM 0 HG22 VAL A 23 0.671 -1.177 8.858 1.00 0.00 H new ATOM 0 HG23 VAL A 23 1.308 -0.880 7.223 1.00 0.00 H new ATOM 294 N LEU A 24 0.842 -5.387 6.027 1.00 0.00 N ATOM 295 CA LEU A 24 0.487 -6.721 5.575 1.00 0.00 C ATOM 296 C LEU A 24 1.596 -7.259 4.669 1.00 0.00 C ATOM 297 O LEU A 24 1.567 -7.055 3.456 1.00 0.00 O ATOM 298 CB LEU A 24 -0.894 -6.716 4.918 1.00 0.00 C ATOM 299 CG LEU A 24 -2.069 -6.352 5.830 1.00 0.00 C ATOM 300 CD1 LEU A 24 -3.205 -5.710 5.031 1.00 0.00 C ATOM 301 CD2 LEU A 24 -2.544 -7.572 6.624 1.00 0.00 C ATOM 0 H LEU A 24 1.197 -4.770 5.297 1.00 0.00 H new ATOM 0 HA LEU A 24 0.408 -7.401 6.423 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -0.876 -6.014 4.084 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.078 -7.705 4.498 1.00 0.00 H new ATOM 0 HG LEU A 24 -1.725 -5.611 6.552 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -4.027 -5.461 5.702 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.843 -4.802 4.549 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.556 -6.409 4.272 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -3.379 -7.287 7.264 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -2.865 -8.352 5.934 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -1.726 -7.946 7.240 1.00 0.00 H new ATOM 312 N PRO A 25 2.574 -7.956 5.309 1.00 0.00 N ATOM 313 CA PRO A 25 3.691 -8.526 4.574 1.00 0.00 C ATOM 314 C PRO A 25 3.259 -9.774 3.801 1.00 0.00 C ATOM 315 O PRO A 25 3.799 -10.066 2.735 1.00 0.00 O ATOM 316 CB PRO A 25 4.748 -8.815 5.627 1.00 0.00 C ATOM 317 CG PRO A 25 4.016 -8.831 6.960 1.00 0.00 C ATOM 318 CD PRO A 25 2.642 -8.218 6.744 1.00 0.00 C ATOM 0 HA PRO A 25 4.081 -7.852 3.812 1.00 0.00 H new ATOM 0 HB2 PRO A 25 5.236 -9.771 5.438 1.00 0.00 H new ATOM 0 HB3 PRO A 25 5.527 -8.052 5.618 1.00 0.00 H new ATOM 0 HG2 PRO A 25 3.925 -9.851 7.333 1.00 0.00 H new ATOM 0 HG3 PRO A 25 4.573 -8.267 7.708 1.00 0.00 H new ATOM 0 HD2 PRO A 25 1.851 -8.898 7.060 1.00 0.00 H new ATOM 0 HD3 PRO A 25 2.523 -7.300 7.320 1.00 0.00 H new ATOM 323 N HIS A 26 2.291 -10.477 4.370 1.00 0.00 N ATOM 324 CA HIS A 26 1.781 -11.687 3.748 1.00 0.00 C ATOM 325 C HIS A 26 1.506 -11.425 2.265 1.00 0.00 C ATOM 326 O HIS A 26 2.184 -11.973 1.399 1.00 0.00 O ATOM 327 CB HIS A 26 0.551 -12.205 4.496 1.00 0.00 C ATOM 328 CG HIS A 26 0.659 -12.105 5.999 1.00 0.00 C ATOM 329 ND1 HIS A 26 0.255 -10.987 6.706 1.00 0.00 N ATOM 330 CD2 HIS A 26 1.129 -12.995 6.920 1.00 0.00 C ATOM 331 CE1 HIS A 26 0.476 -11.204 7.994 1.00 0.00 C ATOM 332 NE2 HIS A 26 1.018 -12.448 8.125 1.00 0.00 N ATOM 0 H HIS A 26 1.846 -10.232 5.255 1.00 0.00 H new ATOM 0 HA HIS A 26 2.531 -12.476 3.809 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -0.324 -11.645 4.167 1.00 0.00 H new ATOM 0 HB3 HIS A 26 0.384 -13.247 4.222 1.00 0.00 H new ATOM 0 HD2 HIS A 26 1.524 -13.977 6.706 1.00 0.00 H new ATOM 0 HE1 HIS A 26 0.264 -10.516 8.799 1.00 0.00 H new ATOM 0 HE2 HIS A 26 1.293 -12.886 9.004 1.00 0.00 H new ATOM 339 N VAL A 27 0.508 -10.588 2.020 1.00 0.00 N ATOM 340 CA VAL A 27 0.136 -10.247 0.658 1.00 0.00 C ATOM 341 C VAL A 27 1.397 -9.932 -0.149 1.00 0.00 C ATOM 342 O VAL A 27 2.340 -9.337 0.374 1.00 0.00 O ATOM 343 CB VAL A 27 -0.874 -9.098 0.664 1.00 0.00 C ATOM 344 CG1 VAL A 27 -0.395 -7.952 1.559 1.00 0.00 C ATOM 345 CG2 VAL A 27 -1.149 -8.603 -0.758 1.00 0.00 C ATOM 0 H VAL A 27 -0.054 -10.136 2.742 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.355 -11.091 0.174 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.810 -9.477 1.075 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.131 -7.148 1.546 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.272 -8.314 2.580 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.559 -7.576 1.190 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.870 -7.786 -0.726 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -0.220 -8.250 -1.206 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -1.553 -9.420 -1.356 1.00 0.00 H new ATOM 355 N PRO A 28 1.376 -10.354 -1.441 1.00 0.00 N ATOM 356 CA PRO A 28 2.505 -10.123 -2.324 1.00 0.00 C ATOM 357 C PRO A 28 2.564 -8.659 -2.766 1.00 0.00 C ATOM 358 O PRO A 28 1.559 -7.952 -2.719 1.00 0.00 O ATOM 359 CB PRO A 28 2.304 -11.085 -3.482 1.00 0.00 C ATOM 360 CG PRO A 28 0.840 -11.487 -3.440 1.00 0.00 C ATOM 361 CD PRO A 28 0.277 -11.061 -2.093 1.00 0.00 C ATOM 0 HA PRO A 28 3.463 -10.303 -1.837 1.00 0.00 H new ATOM 0 HB2 PRO A 28 2.552 -10.610 -4.431 1.00 0.00 H new ATOM 0 HB3 PRO A 28 2.951 -11.956 -3.383 1.00 0.00 H new ATOM 0 HG2 PRO A 28 0.290 -11.010 -4.251 1.00 0.00 H new ATOM 0 HG3 PRO A 28 0.736 -12.564 -3.574 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -0.593 -10.416 -2.213 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -0.043 -11.922 -1.507 1.00 0.00 H new ATOM 366 N LEU A 29 3.752 -8.249 -3.187 1.00 0.00 N ATOM 367 CA LEU A 29 3.955 -6.883 -3.638 1.00 0.00 C ATOM 368 C LEU A 29 3.311 -6.703 -5.015 1.00 0.00 C ATOM 369 O LEU A 29 2.698 -5.672 -5.288 1.00 0.00 O ATOM 370 CB LEU A 29 5.441 -6.521 -3.603 1.00 0.00 C ATOM 371 CG LEU A 29 6.035 -6.259 -2.218 1.00 0.00 C ATOM 372 CD1 LEU A 29 7.550 -6.478 -2.221 1.00 0.00 C ATOM 373 CD2 LEU A 29 5.659 -4.865 -1.715 1.00 0.00 C ATOM 0 H LEU A 29 4.583 -8.839 -3.225 1.00 0.00 H new ATOM 0 HA LEU A 29 3.464 -6.183 -2.962 1.00 0.00 H new ATOM 0 HB2 LEU A 29 6.003 -7.330 -4.070 1.00 0.00 H new ATOM 0 HB3 LEU A 29 5.593 -5.632 -4.216 1.00 0.00 H new ATOM 0 HG LEU A 29 5.607 -6.979 -1.521 1.00 0.00 H new ATOM 0 HD11 LEU A 29 7.947 -6.285 -1.225 1.00 0.00 H new ATOM 0 HD12 LEU A 29 7.768 -7.507 -2.506 1.00 0.00 H new ATOM 0 HD13 LEU A 29 8.015 -5.798 -2.935 1.00 0.00 H new ATOM 0 HD21 LEU A 29 6.094 -4.705 -0.729 1.00 0.00 H new ATOM 0 HD22 LEU A 29 6.040 -4.114 -2.406 1.00 0.00 H new ATOM 0 HD23 LEU A 29 4.574 -4.782 -1.651 1.00 0.00 H new ATOM 384 N GLY A 30 3.473 -7.723 -5.845 1.00 0.00 N ATOM 385 CA GLY A 30 2.914 -7.691 -7.186 1.00 0.00 C ATOM 386 C GLY A 30 1.445 -7.264 -7.159 1.00 0.00 C ATOM 387 O GLY A 30 1.060 -6.306 -7.828 1.00 0.00 O ATOM 0 H GLY A 30 3.983 -8.576 -5.615 1.00 0.00 H new ATOM 0 HA2 GLY A 30 3.486 -7.000 -7.805 1.00 0.00 H new ATOM 0 HA3 GLY A 30 3.001 -8.676 -7.644 1.00 0.00 H new ATOM 391 N VAL A 31 0.664 -7.996 -6.379 1.00 0.00 N ATOM 392 CA VAL A 31 -0.754 -7.706 -6.256 1.00 0.00 C ATOM 393 C VAL A 31 -0.935 -6.342 -5.585 1.00 0.00 C ATOM 394 O VAL A 31 -1.682 -5.499 -6.078 1.00 0.00 O ATOM 395 CB VAL A 31 -1.457 -8.839 -5.505 1.00 0.00 C ATOM 396 CG1 VAL A 31 -1.316 -8.664 -3.991 1.00 0.00 C ATOM 397 CG2 VAL A 31 -2.929 -8.934 -5.910 1.00 0.00 C ATOM 0 H VAL A 31 0.987 -8.790 -5.826 1.00 0.00 H new ATOM 0 HA VAL A 31 -1.219 -7.649 -7.240 1.00 0.00 H new ATOM 0 HB VAL A 31 -0.972 -9.775 -5.781 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -1.824 -9.482 -3.481 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -0.260 -8.669 -3.721 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -1.763 -7.716 -3.691 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -3.405 -9.747 -5.362 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -3.432 -7.995 -5.677 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -3.000 -9.127 -6.980 1.00 0.00 H new ATOM 407 N ILE A 32 -0.237 -6.169 -4.472 1.00 0.00 N ATOM 408 CA ILE A 32 -0.311 -4.922 -3.729 1.00 0.00 C ATOM 409 C ILE A 32 -0.241 -3.747 -4.706 1.00 0.00 C ATOM 410 O ILE A 32 -1.026 -2.805 -4.608 1.00 0.00 O ATOM 411 CB ILE A 32 0.762 -4.883 -2.640 1.00 0.00 C ATOM 412 CG1 ILE A 32 0.373 -5.768 -1.454 1.00 0.00 C ATOM 413 CG2 ILE A 32 1.055 -3.444 -2.211 1.00 0.00 C ATOM 414 CD1 ILE A 32 1.586 -6.065 -0.571 1.00 0.00 C ATOM 0 H ILE A 32 0.382 -6.871 -4.067 1.00 0.00 H new ATOM 0 HA ILE A 32 -1.264 -4.845 -3.206 1.00 0.00 H new ATOM 0 HB ILE A 32 1.685 -5.289 -3.055 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -0.398 -5.273 -0.864 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -0.054 -6.703 -1.818 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.821 -3.444 -1.436 1.00 0.00 H new ATOM 0 HG22 ILE A 32 1.408 -2.873 -3.070 1.00 0.00 H new ATOM 0 HG23 ILE A 32 0.145 -2.988 -1.821 1.00 0.00 H new ATOM 0 HD11 ILE A 32 1.282 -6.696 0.265 1.00 0.00 H new ATOM 0 HD12 ILE A 32 2.346 -6.581 -1.158 1.00 0.00 H new ATOM 0 HD13 ILE A 32 1.996 -5.130 -0.189 1.00 0.00 H new ATOM 425 N GLN A 33 0.708 -3.839 -5.625 1.00 0.00 N ATOM 426 CA GLN A 33 0.892 -2.795 -6.619 1.00 0.00 C ATOM 427 C GLN A 33 -0.408 -2.565 -7.394 1.00 0.00 C ATOM 428 O GLN A 33 -0.810 -1.424 -7.613 1.00 0.00 O ATOM 429 CB GLN A 33 2.042 -3.138 -7.568 1.00 0.00 C ATOM 430 CG GLN A 33 3.375 -2.624 -7.020 1.00 0.00 C ATOM 431 CD GLN A 33 4.427 -2.542 -8.128 1.00 0.00 C ATOM 432 OE1 GLN A 33 4.840 -1.475 -8.550 1.00 0.00 O ATOM 433 NE2 GLN A 33 4.837 -3.727 -8.574 1.00 0.00 N ATOM 0 H GLN A 33 1.358 -4.621 -5.703 1.00 0.00 H new ATOM 0 HA GLN A 33 1.153 -1.871 -6.103 1.00 0.00 H new ATOM 0 HB2 GLN A 33 2.094 -4.218 -7.707 1.00 0.00 H new ATOM 0 HB3 GLN A 33 1.854 -2.699 -8.548 1.00 0.00 H new ATOM 0 HG2 GLN A 33 3.234 -1.640 -6.574 1.00 0.00 H new ATOM 0 HG3 GLN A 33 3.726 -3.285 -6.228 1.00 0.00 H new ATOM 0 HE21 GLN A 33 4.450 -4.583 -8.177 1.00 0.00 H new ATOM 0 HE22 GLN A 33 5.538 -3.779 -9.313 1.00 0.00 H new ATOM 440 N ARG A 34 -1.029 -3.669 -7.787 1.00 0.00 N ATOM 441 CA ARG A 34 -2.274 -3.601 -8.533 1.00 0.00 C ATOM 442 C ARG A 34 -3.414 -3.143 -7.620 1.00 0.00 C ATOM 443 O ARG A 34 -4.063 -2.133 -7.891 1.00 0.00 O ATOM 444 CB ARG A 34 -2.628 -4.961 -9.137 1.00 0.00 C ATOM 445 CG ARG A 34 -2.839 -4.851 -10.648 1.00 0.00 C ATOM 446 CD ARG A 34 -3.086 -6.228 -11.268 1.00 0.00 C ATOM 447 NE ARG A 34 -1.998 -6.558 -12.216 1.00 0.00 N ATOM 448 CZ ARG A 34 -1.888 -6.037 -13.445 1.00 0.00 C ATOM 449 NH1 ARG A 34 -2.800 -5.158 -13.884 1.00 0.00 N ATOM 450 NH2 ARG A 34 -0.868 -6.395 -14.237 1.00 0.00 N ATOM 0 H ARG A 34 -0.693 -4.614 -7.603 1.00 0.00 H new ATOM 0 HA ARG A 34 -2.139 -2.882 -9.341 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -1.831 -5.674 -8.928 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -3.532 -5.347 -8.667 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -3.687 -4.198 -10.854 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -1.964 -4.392 -11.109 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -3.139 -6.984 -10.485 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -4.045 -6.236 -11.785 1.00 0.00 H new ATOM 0 HE ARG A 34 -1.287 -7.224 -11.914 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -3.577 -4.886 -13.282 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -2.717 -4.761 -14.820 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -0.175 -7.065 -13.904 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -0.785 -5.998 -15.173 1.00 0.00 H new ATOM 461 N ASP A 35 -3.624 -3.907 -6.559 1.00 0.00 N ATOM 462 CA ASP A 35 -4.674 -3.593 -5.605 1.00 0.00 C ATOM 463 C ASP A 35 -4.616 -2.103 -5.262 1.00 0.00 C ATOM 464 O ASP A 35 -5.631 -1.502 -4.914 1.00 0.00 O ATOM 465 CB ASP A 35 -4.495 -4.384 -4.308 1.00 0.00 C ATOM 466 CG ASP A 35 -5.533 -5.485 -4.075 1.00 0.00 C ATOM 467 OD1 ASP A 35 -6.172 -5.884 -5.073 1.00 0.00 O ATOM 468 OD2 ASP A 35 -5.663 -5.904 -2.904 1.00 0.00 O ATOM 0 H ASP A 35 -3.084 -4.744 -6.338 1.00 0.00 H new ATOM 0 HA ASP A 35 -5.630 -3.855 -6.058 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -3.503 -4.835 -4.309 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -4.529 -3.690 -3.469 1.00 0.00 H new ATOM 472 N LEU A 36 -3.416 -1.550 -5.372 1.00 0.00 N ATOM 473 CA LEU A 36 -3.212 -0.142 -5.077 1.00 0.00 C ATOM 474 C LEU A 36 -3.800 0.703 -6.210 1.00 0.00 C ATOM 475 O LEU A 36 -4.636 1.573 -5.971 1.00 0.00 O ATOM 476 CB LEU A 36 -1.733 0.139 -4.803 1.00 0.00 C ATOM 477 CG LEU A 36 -1.259 -0.100 -3.368 1.00 0.00 C ATOM 478 CD1 LEU A 36 0.263 -0.247 -3.311 1.00 0.00 C ATOM 479 CD2 LEU A 36 -1.765 1.000 -2.433 1.00 0.00 C ATOM 0 H LEU A 36 -2.576 -2.052 -5.661 1.00 0.00 H new ATOM 0 HA LEU A 36 -3.740 0.137 -4.165 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.136 -0.483 -5.470 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -1.526 1.177 -5.065 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.686 -1.040 -3.019 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.574 -0.416 -2.280 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.570 -1.093 -3.926 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.731 0.663 -3.686 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -1.414 0.806 -1.419 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -1.387 1.966 -2.769 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -2.855 1.013 -2.443 1.00 0.00 H new ATOM 490 N ALA A 37 -3.339 0.416 -7.418 1.00 0.00 N ATOM 491 CA ALA A 37 -3.808 1.137 -8.588 1.00 0.00 C ATOM 492 C ALA A 37 -5.338 1.126 -8.611 1.00 0.00 C ATOM 493 O ALA A 37 -5.961 2.048 -9.132 1.00 0.00 O ATOM 494 CB ALA A 37 -3.201 0.517 -9.849 1.00 0.00 C ATOM 0 H ALA A 37 -2.645 -0.306 -7.612 1.00 0.00 H new ATOM 0 HA ALA A 37 -3.487 2.178 -8.550 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -3.554 1.059 -10.727 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -2.114 0.578 -9.797 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -3.503 -0.528 -9.922 1.00 0.00 H new ATOM 500 N LYS A 38 -5.898 0.070 -8.038 1.00 0.00 N ATOM 501 CA LYS A 38 -7.343 -0.074 -7.985 1.00 0.00 C ATOM 502 C LYS A 38 -7.943 1.122 -7.245 1.00 0.00 C ATOM 503 O LYS A 38 -8.946 1.686 -7.679 1.00 0.00 O ATOM 504 CB LYS A 38 -7.725 -1.426 -7.381 1.00 0.00 C ATOM 505 CG LYS A 38 -8.126 -2.421 -8.472 1.00 0.00 C ATOM 506 CD LYS A 38 -6.935 -2.763 -9.368 1.00 0.00 C ATOM 507 CE LYS A 38 -7.129 -2.203 -10.778 1.00 0.00 C ATOM 508 NZ LYS A 38 -5.867 -2.281 -11.547 1.00 0.00 N ATOM 0 H LYS A 38 -5.377 -0.694 -7.607 1.00 0.00 H new ATOM 0 HA LYS A 38 -7.763 -0.071 -8.991 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -6.885 -1.824 -6.812 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -8.551 -1.295 -6.682 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -8.514 -3.331 -8.014 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -8.930 -2.000 -9.075 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -6.021 -2.357 -8.934 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -6.811 -3.845 -9.417 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -7.910 -2.762 -11.293 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -7.463 -1.167 -10.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -6.018 -1.896 -12.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -5.131 -1.728 -11.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -5.564 -3.273 -11.617 1.00 0.00 H new ATOM 518 N THR A 39 -7.305 1.474 -6.138 1.00 0.00 N ATOM 519 CA THR A 39 -7.765 2.593 -5.333 1.00 0.00 C ATOM 520 C THR A 39 -6.678 3.666 -5.242 1.00 0.00 C ATOM 521 O THR A 39 -6.811 4.739 -5.828 1.00 0.00 O ATOM 522 CB THR A 39 -8.195 2.049 -3.970 1.00 0.00 C ATOM 523 OG1 THR A 39 -7.153 1.145 -3.611 1.00 0.00 O ATOM 524 CG2 THR A 39 -9.441 1.164 -4.059 1.00 0.00 C ATOM 0 H THR A 39 -6.474 1.004 -5.780 1.00 0.00 H new ATOM 0 HA THR A 39 -8.625 3.082 -5.790 1.00 0.00 H new ATOM 0 HB THR A 39 -8.388 2.881 -3.293 1.00 0.00 H new ATOM 0 HG1 THR A 39 -6.957 1.234 -2.655 1.00 0.00 H new ATOM 0 HG21 THR A 39 -9.703 0.804 -3.064 1.00 0.00 H new ATOM 0 HG22 THR A 39 -10.270 1.743 -4.466 1.00 0.00 H new ATOM 0 HG23 THR A 39 -9.238 0.314 -4.710 1.00 0.00 H new ATOM 532 N GLY A 40 -5.627 3.339 -4.505 1.00 0.00 N ATOM 533 CA GLY A 40 -4.519 4.262 -4.330 1.00 0.00 C ATOM 534 C GLY A 40 -4.457 4.781 -2.892 1.00 0.00 C ATOM 535 O GLY A 40 -3.746 5.742 -2.605 1.00 0.00 O ATOM 0 H GLY A 40 -5.519 2.447 -4.022 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -3.583 3.763 -4.581 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -4.628 5.100 -5.018 1.00 0.00 H new ATOM 539 N CYS A 41 -5.213 4.120 -2.026 1.00 0.00 N ATOM 540 CA CYS A 41 -5.253 4.502 -0.626 1.00 0.00 C ATOM 541 C CYS A 41 -4.954 3.262 0.220 1.00 0.00 C ATOM 542 O CYS A 41 -5.750 2.326 0.260 1.00 0.00 O ATOM 543 CB CYS A 41 -6.594 5.138 -0.250 1.00 0.00 C ATOM 544 SG CYS A 41 -6.427 6.959 -0.188 1.00 0.00 S ATOM 0 H CYS A 41 -5.802 3.323 -2.268 1.00 0.00 H new ATOM 0 HA CYS A 41 -4.497 5.264 -0.434 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -7.355 4.859 -0.979 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -6.926 4.762 0.718 1.00 0.00 H new ATOM 0 HG CYS A 41 -7.571 7.489 0.130 1.00 0.00 H new ATOM 549 N VAL A 42 -3.802 3.295 0.874 1.00 0.00 N ATOM 550 CA VAL A 42 -3.387 2.186 1.716 1.00 0.00 C ATOM 551 C VAL A 42 -4.593 1.673 2.507 1.00 0.00 C ATOM 552 O VAL A 42 -4.911 0.486 2.461 1.00 0.00 O ATOM 553 CB VAL A 42 -2.223 2.614 2.610 1.00 0.00 C ATOM 554 CG1 VAL A 42 -0.950 2.827 1.789 1.00 0.00 C ATOM 555 CG2 VAL A 42 -2.577 3.871 3.408 1.00 0.00 C ATOM 0 H VAL A 42 -3.143 4.073 0.838 1.00 0.00 H new ATOM 0 HA VAL A 42 -3.023 1.359 1.106 1.00 0.00 H new ATOM 0 HB VAL A 42 -2.033 1.809 3.320 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -0.138 3.131 2.449 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -0.681 1.898 1.287 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -1.123 3.605 1.045 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -1.732 4.154 4.036 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -2.807 4.685 2.721 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -3.445 3.671 4.037 1.00 0.00 H new ATOM 565 N ASP A 43 -5.230 2.595 3.216 1.00 0.00 N ATOM 566 CA ASP A 43 -6.392 2.251 4.017 1.00 0.00 C ATOM 567 C ASP A 43 -7.348 1.398 3.180 1.00 0.00 C ATOM 568 O ASP A 43 -7.728 0.303 3.588 1.00 0.00 O ATOM 569 CB ASP A 43 -7.145 3.506 4.461 1.00 0.00 C ATOM 570 CG ASP A 43 -7.648 3.481 5.907 1.00 0.00 C ATOM 571 OD1 ASP A 43 -8.779 2.985 6.105 1.00 0.00 O ATOM 572 OD2 ASP A 43 -6.891 3.956 6.780 1.00 0.00 O ATOM 0 H ASP A 43 -4.963 3.579 3.252 1.00 0.00 H new ATOM 0 HA ASP A 43 -6.047 1.707 4.896 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -6.490 4.368 4.335 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -7.998 3.654 3.798 1.00 0.00 H new ATOM 576 N LEU A 44 -7.711 1.935 2.023 1.00 0.00 N ATOM 577 CA LEU A 44 -8.615 1.237 1.126 1.00 0.00 C ATOM 578 C LEU A 44 -8.065 -0.162 0.841 1.00 0.00 C ATOM 579 O LEU A 44 -8.807 -1.143 0.873 1.00 0.00 O ATOM 580 CB LEU A 44 -8.866 2.068 -0.135 1.00 0.00 C ATOM 581 CG LEU A 44 -9.974 3.117 -0.036 1.00 0.00 C ATOM 582 CD1 LEU A 44 -9.797 3.987 1.209 1.00 0.00 C ATOM 583 CD2 LEU A 44 -10.051 3.954 -1.315 1.00 0.00 C ATOM 0 H LEU A 44 -7.395 2.845 1.687 1.00 0.00 H new ATOM 0 HA LEU A 44 -9.591 1.107 1.594 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -7.938 2.573 -0.404 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -9.108 1.388 -0.952 1.00 0.00 H new ATOM 0 HG LEU A 44 -10.927 2.599 0.068 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -10.598 4.724 1.255 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -9.831 3.359 2.099 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -8.836 4.499 1.162 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -10.847 4.693 -1.219 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -9.101 4.463 -1.474 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -10.261 3.303 -2.164 1.00 0.00 H new ATOM 594 N THR A 45 -6.769 -0.210 0.569 1.00 0.00 N ATOM 595 CA THR A 45 -6.111 -1.473 0.279 1.00 0.00 C ATOM 596 C THR A 45 -6.321 -2.459 1.430 1.00 0.00 C ATOM 597 O THR A 45 -6.745 -3.594 1.211 1.00 0.00 O ATOM 598 CB THR A 45 -4.639 -1.183 -0.012 1.00 0.00 C ATOM 599 OG1 THR A 45 -4.675 -0.218 -1.061 1.00 0.00 O ATOM 600 CG2 THR A 45 -3.917 -2.381 -0.635 1.00 0.00 C ATOM 0 H THR A 45 -6.157 0.605 0.543 1.00 0.00 H new ATOM 0 HA THR A 45 -6.542 -1.952 -0.600 1.00 0.00 H new ATOM 0 HB THR A 45 -4.137 -0.896 0.912 1.00 0.00 H new ATOM 0 HG1 THR A 45 -4.211 -0.573 -1.848 1.00 0.00 H new ATOM 0 HG21 THR A 45 -2.875 -2.121 -0.821 1.00 0.00 H new ATOM 0 HG22 THR A 45 -3.963 -3.229 0.048 1.00 0.00 H new ATOM 0 HG23 THR A 45 -4.399 -2.647 -1.576 1.00 0.00 H new ATOM 608 N ILE A 46 -6.012 -1.992 2.630 1.00 0.00 N ATOM 609 CA ILE A 46 -6.161 -2.820 3.816 1.00 0.00 C ATOM 610 C ILE A 46 -7.466 -3.612 3.719 1.00 0.00 C ATOM 611 O ILE A 46 -7.502 -4.799 4.043 1.00 0.00 O ATOM 612 CB ILE A 46 -6.052 -1.967 5.082 1.00 0.00 C ATOM 613 CG1 ILE A 46 -4.588 -1.701 5.439 1.00 0.00 C ATOM 614 CG2 ILE A 46 -6.818 -2.606 6.241 1.00 0.00 C ATOM 615 CD1 ILE A 46 -4.318 -0.200 5.565 1.00 0.00 C ATOM 0 H ILE A 46 -5.659 -1.052 2.808 1.00 0.00 H new ATOM 0 HA ILE A 46 -5.351 -3.546 3.878 1.00 0.00 H new ATOM 0 HB ILE A 46 -6.516 -1.001 4.884 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -4.343 -2.198 6.377 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -3.940 -2.128 4.673 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -6.724 -1.980 7.128 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -7.870 -2.701 5.973 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -6.406 -3.594 6.449 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -3.270 -0.039 5.819 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -4.541 0.291 4.618 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -4.950 0.219 6.348 1.00 0.00 H new ATOM 626 N THR A 47 -8.508 -2.925 3.273 1.00 0.00 N ATOM 627 CA THR A 47 -9.811 -3.549 3.130 1.00 0.00 C ATOM 628 C THR A 47 -9.896 -4.308 1.804 1.00 0.00 C ATOM 629 O THR A 47 -10.312 -5.465 1.772 1.00 0.00 O ATOM 630 CB THR A 47 -10.876 -2.461 3.277 1.00 0.00 C ATOM 631 OG1 THR A 47 -11.049 -2.333 4.685 1.00 0.00 O ATOM 632 CG2 THR A 47 -12.248 -2.912 2.772 1.00 0.00 C ATOM 0 H THR A 47 -8.475 -1.941 3.006 1.00 0.00 H new ATOM 0 HA THR A 47 -9.979 -4.295 3.907 1.00 0.00 H new ATOM 0 HB THR A 47 -10.563 -1.571 2.731 1.00 0.00 H new ATOM 0 HG1 THR A 47 -11.722 -1.646 4.871 1.00 0.00 H new ATOM 0 HG21 THR A 47 -12.967 -2.103 2.899 1.00 0.00 H new ATOM 0 HG22 THR A 47 -12.179 -3.173 1.716 1.00 0.00 H new ATOM 0 HG23 THR A 47 -12.577 -3.782 3.340 1.00 0.00 H new ATOM 640 N ASN A 48 -9.496 -3.625 0.742 1.00 0.00 N ATOM 641 CA ASN A 48 -9.522 -4.220 -0.584 1.00 0.00 C ATOM 642 C ASN A 48 -8.924 -5.626 -0.519 1.00 0.00 C ATOM 643 O ASN A 48 -9.425 -6.548 -1.161 1.00 0.00 O ATOM 644 CB ASN A 48 -8.692 -3.398 -1.573 1.00 0.00 C ATOM 645 CG ASN A 48 -9.143 -1.936 -1.584 1.00 0.00 C ATOM 646 OD1 ASN A 48 -10.181 -1.575 -1.055 1.00 0.00 O ATOM 647 ND2 ASN A 48 -8.305 -1.117 -2.216 1.00 0.00 N ATOM 0 H ASN A 48 -9.152 -2.665 0.772 1.00 0.00 H new ATOM 0 HA ASN A 48 -10.558 -4.249 -0.920 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -7.637 -3.455 -1.304 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -8.789 -3.820 -2.573 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -8.516 -0.121 -2.279 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -7.452 -1.486 -2.637 1.00 0.00 H new ATOM 653 N LEU A 49 -7.861 -5.747 0.262 1.00 0.00 N ATOM 654 CA LEU A 49 -7.189 -7.026 0.420 1.00 0.00 C ATOM 655 C LEU A 49 -8.213 -8.089 0.824 1.00 0.00 C ATOM 656 O LEU A 49 -8.313 -9.134 0.184 1.00 0.00 O ATOM 657 CB LEU A 49 -6.016 -6.899 1.394 1.00 0.00 C ATOM 658 CG LEU A 49 -4.824 -6.073 0.905 1.00 0.00 C ATOM 659 CD1 LEU A 49 -4.223 -5.251 2.047 1.00 0.00 C ATOM 660 CD2 LEU A 49 -3.781 -6.964 0.228 1.00 0.00 C ATOM 0 H LEU A 49 -7.448 -4.980 0.793 1.00 0.00 H new ATOM 0 HA LEU A 49 -6.753 -7.347 -0.526 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -6.384 -6.456 2.319 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -5.663 -7.901 1.639 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.180 -5.368 0.154 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -3.378 -4.673 1.674 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -4.979 -4.573 2.444 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -3.884 -5.920 2.838 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -2.945 -6.352 -0.110 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -3.422 -7.709 0.939 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -4.232 -7.467 -0.627 1.00 0.00 H new ATOM 671 N LEU A 50 -8.947 -7.784 1.884 1.00 0.00 N ATOM 672 CA LEU A 50 -9.959 -8.699 2.381 1.00 0.00 C ATOM 673 C LEU A 50 -11.192 -8.631 1.477 1.00 0.00 C ATOM 674 O LEU A 50 -11.505 -9.591 0.775 1.00 0.00 O ATOM 675 CB LEU A 50 -10.262 -8.415 3.854 1.00 0.00 C ATOM 676 CG LEU A 50 -9.123 -8.689 4.838 1.00 0.00 C ATOM 677 CD1 LEU A 50 -8.928 -7.510 5.793 1.00 0.00 C ATOM 678 CD2 LEU A 50 -9.349 -10.004 5.587 1.00 0.00 C ATOM 0 H LEU A 50 -8.861 -6.916 2.412 1.00 0.00 H new ATOM 0 HA LEU A 50 -9.593 -9.725 2.346 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -10.554 -7.369 3.949 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -11.123 -9.015 4.149 1.00 0.00 H new ATOM 0 HG LEU A 50 -8.199 -8.798 4.270 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -8.113 -7.731 6.482 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -8.687 -6.614 5.221 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -9.845 -7.344 6.358 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -8.525 -10.174 6.280 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -10.285 -9.950 6.143 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -9.398 -10.826 4.873 1.00 0.00 H new ATOM 689 N GLU A 51 -11.858 -7.486 1.522 1.00 0.00 N ATOM 690 CA GLU A 51 -13.048 -7.281 0.715 1.00 0.00 C ATOM 691 C GLU A 51 -12.747 -7.564 -0.758 1.00 0.00 C ATOM 692 O GLU A 51 -12.971 -8.674 -1.239 1.00 0.00 O ATOM 693 CB GLU A 51 -13.597 -5.865 0.900 1.00 0.00 C ATOM 694 CG GLU A 51 -14.772 -5.854 1.881 1.00 0.00 C ATOM 695 CD GLU A 51 -16.046 -6.378 1.215 1.00 0.00 C ATOM 696 OE1 GLU A 51 -16.110 -7.607 0.998 1.00 0.00 O ATOM 697 OE2 GLU A 51 -16.928 -5.537 0.940 1.00 0.00 O ATOM 0 H GLU A 51 -11.596 -6.691 2.105 1.00 0.00 H new ATOM 0 HA GLU A 51 -13.815 -7.980 1.049 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -12.807 -5.210 1.267 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -13.919 -5.468 -0.063 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -14.532 -6.468 2.749 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -14.938 -4.840 2.244 1.00 0.00 H new ATOM 702 N GLY A 52 -12.243 -6.542 -1.433 1.00 0.00 N ATOM 703 CA GLY A 52 -11.909 -6.668 -2.841 1.00 0.00 C ATOM 704 C GLY A 52 -11.864 -5.297 -3.519 1.00 0.00 C ATOM 705 O GLY A 52 -10.813 -4.658 -3.568 1.00 0.00 O ATOM 0 H GLY A 52 -12.058 -5.623 -1.031 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -10.943 -7.162 -2.946 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -12.645 -7.299 -3.338 1.00 0.00 H new ATOM 709 N ALA A 53 -13.016 -4.884 -4.024 1.00 0.00 N ATOM 710 CA ALA A 53 -13.122 -3.600 -4.697 1.00 0.00 C ATOM 711 C ALA A 53 -12.021 -3.490 -5.753 1.00 0.00 C ATOM 712 O ALA A 53 -10.986 -2.868 -5.515 1.00 0.00 O ATOM 713 CB ALA A 53 -13.051 -2.474 -3.663 1.00 0.00 C ATOM 0 H ALA A 53 -13.885 -5.416 -3.981 1.00 0.00 H new ATOM 0 HA ALA A 53 -14.080 -3.514 -5.209 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -13.130 -1.511 -4.168 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -13.871 -2.580 -2.953 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -12.101 -2.528 -3.131 1.00 0.00 H new ATOM 719 N VAL A 54 -12.281 -4.104 -6.899 1.00 0.00 N ATOM 720 CA VAL A 54 -11.324 -4.084 -7.993 1.00 0.00 C ATOM 721 C VAL A 54 -12.063 -3.814 -9.305 1.00 0.00 C ATOM 722 O VAL A 54 -13.051 -4.479 -9.612 1.00 0.00 O ATOM 723 CB VAL A 54 -10.525 -5.388 -8.014 1.00 0.00 C ATOM 724 CG1 VAL A 54 -9.666 -5.484 -9.275 1.00 0.00 C ATOM 725 CG2 VAL A 54 -9.667 -5.524 -6.754 1.00 0.00 C ATOM 0 H VAL A 54 -13.140 -4.618 -7.093 1.00 0.00 H new ATOM 0 HA VAL A 54 -10.602 -3.279 -7.854 1.00 0.00 H new ATOM 0 HB VAL A 54 -11.234 -6.216 -8.028 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -9.108 -6.420 -9.265 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -10.308 -5.453 -10.156 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -8.969 -4.647 -9.305 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -9.109 -6.459 -6.793 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -8.970 -4.688 -6.696 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -10.310 -5.522 -5.874 1.00 0.00 H new ATOM 735 N ALA A 55 -11.556 -2.839 -10.044 1.00 0.00 N ATOM 736 CA ALA A 55 -12.155 -2.474 -11.316 1.00 0.00 C ATOM 737 C ALA A 55 -11.049 -2.244 -12.348 1.00 0.00 C ATOM 738 O ALA A 55 -10.034 -1.619 -12.047 1.00 0.00 O ATOM 739 CB ALA A 55 -13.041 -1.241 -11.128 1.00 0.00 C ATOM 0 H ALA A 55 -10.736 -2.290 -9.786 1.00 0.00 H new ATOM 0 HA ALA A 55 -12.790 -3.279 -11.686 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -13.491 -0.967 -12.082 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -13.828 -1.465 -10.407 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -12.437 -0.412 -10.760 1.00 0.00 H new ATOM 745 N PHE A 56 -11.284 -2.762 -13.545 1.00 0.00 N ATOM 746 CA PHE A 56 -10.321 -2.622 -14.624 1.00 0.00 C ATOM 747 C PHE A 56 -10.117 -1.150 -14.988 1.00 0.00 C ATOM 748 O PHE A 56 -10.992 -0.320 -14.748 1.00 0.00 O ATOM 749 CB PHE A 56 -10.895 -3.360 -15.835 1.00 0.00 C ATOM 750 CG PHE A 56 -10.334 -2.885 -17.177 1.00 0.00 C ATOM 751 CD1 PHE A 56 -9.193 -3.436 -17.670 1.00 0.00 C ATOM 752 CD2 PHE A 56 -10.976 -1.911 -17.876 1.00 0.00 C ATOM 753 CE1 PHE A 56 -8.672 -2.994 -18.915 1.00 0.00 C ATOM 754 CE2 PHE A 56 -10.456 -1.470 -19.120 1.00 0.00 C ATOM 755 CZ PHE A 56 -9.315 -2.021 -19.614 1.00 0.00 C ATOM 0 H PHE A 56 -12.128 -3.279 -13.791 1.00 0.00 H new ATOM 0 HA PHE A 56 -9.358 -3.030 -14.319 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -10.695 -4.426 -15.726 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -11.978 -3.238 -15.842 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -8.683 -4.210 -17.115 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -11.882 -1.473 -17.484 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -7.765 -3.431 -19.307 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -10.966 -0.697 -19.675 1.00 0.00 H new ATOM 0 HZ PHE A 56 -8.920 -1.686 -20.561 1.00 0.00 H new ATOM 764 N MET A 57 -8.956 -0.871 -15.563 1.00 0.00 N ATOM 765 CA MET A 57 -8.625 0.486 -15.963 1.00 0.00 C ATOM 766 C MET A 57 -7.609 0.488 -17.106 1.00 0.00 C ATOM 767 O MET A 57 -6.824 -0.448 -17.245 1.00 0.00 O ATOM 768 CB MET A 57 -8.050 1.245 -14.766 1.00 0.00 C ATOM 769 CG MET A 57 -9.074 2.230 -14.198 1.00 0.00 C ATOM 770 SD MET A 57 -9.489 1.781 -12.521 1.00 0.00 S ATOM 771 CE MET A 57 -9.315 3.368 -11.723 1.00 0.00 C ATOM 0 H MET A 57 -8.233 -1.562 -15.761 1.00 0.00 H new ATOM 0 HA MET A 57 -9.535 0.975 -16.311 1.00 0.00 H new ATOM 0 HB2 MET A 57 -7.752 0.538 -13.992 1.00 0.00 H new ATOM 0 HB3 MET A 57 -7.152 1.783 -15.069 1.00 0.00 H new ATOM 0 HG2 MET A 57 -8.670 3.242 -14.223 1.00 0.00 H new ATOM 0 HG3 MET A 57 -9.972 2.230 -14.816 1.00 0.00 H new ATOM 0 HE1 MET A 57 -9.540 3.268 -10.661 1.00 0.00 H new ATOM 0 HE2 MET A 57 -8.293 3.727 -11.845 1.00 0.00 H new ATOM 0 HE3 MET A 57 -10.006 4.080 -12.175 1.00 0.00 H new ATOM 779 N PRO A 58 -7.657 1.579 -17.916 1.00 0.00 N ATOM 780 CA PRO A 58 -6.750 1.716 -19.043 1.00 0.00 C ATOM 781 C PRO A 58 -5.342 2.087 -18.572 1.00 0.00 C ATOM 782 O PRO A 58 -5.172 2.626 -17.480 1.00 0.00 O ATOM 783 CB PRO A 58 -7.379 2.780 -19.928 1.00 0.00 C ATOM 784 CG PRO A 58 -8.364 3.529 -19.044 1.00 0.00 C ATOM 785 CD PRO A 58 -8.575 2.707 -17.782 1.00 0.00 C ATOM 0 HA PRO A 58 -6.620 0.784 -19.594 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -6.621 3.454 -20.327 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -7.885 2.329 -20.782 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -7.979 4.518 -18.796 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -9.309 3.677 -19.566 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -8.357 3.291 -16.888 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -9.608 2.369 -17.698 1.00 0.00 H new ATOM 790 N GLU A 59 -4.370 1.781 -19.418 1.00 0.00 N ATOM 791 CA GLU A 59 -2.983 2.075 -19.102 1.00 0.00 C ATOM 792 C GLU A 59 -2.460 3.198 -19.999 1.00 0.00 C ATOM 793 O GLU A 59 -2.732 3.217 -21.198 1.00 0.00 O ATOM 794 CB GLU A 59 -2.114 0.821 -19.229 1.00 0.00 C ATOM 795 CG GLU A 59 -2.052 0.344 -20.681 1.00 0.00 C ATOM 796 CD GLU A 59 -1.420 -1.047 -20.775 1.00 0.00 C ATOM 797 OE1 GLU A 59 -1.689 -1.855 -19.860 1.00 0.00 O ATOM 798 OE2 GLU A 59 -0.681 -1.270 -21.759 1.00 0.00 O ATOM 0 H GLU A 59 -4.516 1.332 -20.322 1.00 0.00 H new ATOM 0 HA GLU A 59 -2.930 2.410 -18.066 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -1.107 1.033 -18.869 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -2.518 0.029 -18.599 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -3.057 0.320 -21.103 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -1.473 1.051 -21.275 1.00 0.00 H new ATOM 803 N ASP A 60 -1.719 4.108 -19.383 1.00 0.00 N ATOM 804 CA ASP A 60 -1.155 5.232 -20.111 1.00 0.00 C ATOM 805 C ASP A 60 -2.250 6.273 -20.359 1.00 0.00 C ATOM 806 O ASP A 60 -3.320 5.945 -20.866 1.00 0.00 O ATOM 807 CB ASP A 60 -0.607 4.790 -21.469 1.00 0.00 C ATOM 808 CG ASP A 60 0.454 5.714 -22.070 1.00 0.00 C ATOM 809 OD1 ASP A 60 0.146 6.917 -22.210 1.00 0.00 O ATOM 810 OD2 ASP A 60 1.550 5.196 -22.374 1.00 0.00 O ATOM 0 H ASP A 60 -1.496 4.090 -18.388 1.00 0.00 H new ATOM 0 HA ASP A 60 -0.344 5.648 -19.514 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -0.181 3.792 -21.365 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -1.437 4.710 -22.171 1.00 0.00 H new ATOM 814 N ILE A 61 -1.941 7.507 -19.989 1.00 0.00 N ATOM 815 CA ILE A 61 -2.885 8.598 -20.165 1.00 0.00 C ATOM 816 C ILE A 61 -2.902 9.020 -21.635 1.00 0.00 C ATOM 817 O ILE A 61 -1.898 8.892 -22.333 1.00 0.00 O ATOM 818 CB ILE A 61 -2.567 9.743 -19.201 1.00 0.00 C ATOM 819 CG1 ILE A 61 -1.200 10.357 -19.511 1.00 0.00 C ATOM 820 CG2 ILE A 61 -2.670 9.280 -17.746 1.00 0.00 C ATOM 821 CD1 ILE A 61 -1.081 11.761 -18.916 1.00 0.00 C ATOM 0 H ILE A 61 -1.051 7.776 -19.569 1.00 0.00 H new ATOM 0 HA ILE A 61 -3.894 8.272 -19.914 1.00 0.00 H new ATOM 0 HB ILE A 61 -3.312 10.526 -19.343 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -0.412 9.720 -19.109 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -1.054 10.402 -20.590 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -2.439 10.113 -17.082 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -3.682 8.927 -17.547 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.962 8.470 -17.571 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.100 12.174 -19.151 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -1.855 12.402 -19.338 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.203 11.709 -17.834 1.00 0.00 H new TER 832 ILE A 61