USER MOD reduce.3.24.130724 H: found=0, std=0, add=488, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 484 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 50:sc= 0.161 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 24 GLN : amide:sc= -0.729 X(o=-0.73,f=-0.87) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= -0.119 USER MOD Single : A 30 GLN : amide:sc= -0.0098 X(o=-0.0098,f=-0.005) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 94:sc= 1.03 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 78:sc= -0.256 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot 97:sc= 0.512 USER MOD Single : A 66 ASN :FLIP amide:sc= -2.19 F(o=-3.9!,f=-2.2) USER MOD Single : A 67 ASN : amide:sc= 0.492 X(o=0.49,f=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 36.398 21.915 -11.812 1.00 0.00 N ATOM 2 CA GLY A 1 35.002 21.881 -11.409 1.00 0.00 C ATOM 3 C GLY A 1 34.079 21.958 -12.627 1.00 0.00 C ATOM 4 O GLY A 1 34.279 22.789 -13.511 1.00 0.00 O ATOM 0 H1 GLY A 1 37.004 21.862 -10.969 1.00 0.00 H new ATOM 0 H2 GLY A 1 36.599 21.107 -12.435 1.00 0.00 H new ATOM 0 H3 GLY A 1 36.591 22.801 -12.321 1.00 0.00 H new ATOM 0 HA2 GLY A 1 34.802 20.965 -10.854 1.00 0.00 H new ATOM 0 HA3 GLY A 1 34.793 22.713 -10.737 1.00 0.00 H new ATOM 8 N SER A 2 33.086 21.080 -12.633 1.00 0.00 N ATOM 9 CA SER A 2 32.131 21.038 -13.727 1.00 0.00 C ATOM 10 C SER A 2 30.907 20.216 -13.322 1.00 0.00 C ATOM 11 O SER A 2 30.917 19.547 -12.289 1.00 0.00 O ATOM 12 CB SER A 2 32.767 20.456 -14.991 1.00 0.00 C ATOM 13 OG SER A 2 33.095 21.468 -15.938 1.00 0.00 O ATOM 0 H SER A 2 32.923 20.392 -11.898 1.00 0.00 H new ATOM 0 HA SER A 2 31.818 22.059 -13.947 1.00 0.00 H new ATOM 0 HB2 SER A 2 33.668 19.905 -14.723 1.00 0.00 H new ATOM 0 HB3 SER A 2 32.081 19.742 -15.446 1.00 0.00 H new ATOM 0 HG SER A 2 33.593 22.185 -15.492 1.00 0.00 H new ATOM 19 N SER A 3 29.880 20.291 -14.156 1.00 0.00 N ATOM 20 CA SER A 3 28.650 19.562 -13.897 1.00 0.00 C ATOM 21 C SER A 3 28.527 18.384 -14.865 1.00 0.00 C ATOM 22 O SER A 3 28.431 17.234 -14.440 1.00 0.00 O ATOM 23 CB SER A 3 27.431 20.478 -14.017 1.00 0.00 C ATOM 24 OG SER A 3 26.250 19.865 -13.506 1.00 0.00 O ATOM 0 H SER A 3 29.875 20.846 -15.012 1.00 0.00 H new ATOM 0 HA SER A 3 28.685 19.183 -12.876 1.00 0.00 H new ATOM 0 HB2 SER A 3 27.620 21.406 -13.477 1.00 0.00 H new ATOM 0 HB3 SER A 3 27.278 20.743 -15.063 1.00 0.00 H new ATOM 0 HG SER A 3 25.495 20.482 -13.599 1.00 0.00 H new ATOM 30 N GLY A 4 28.533 18.712 -16.149 1.00 0.00 N ATOM 31 CA GLY A 4 28.422 17.695 -17.181 1.00 0.00 C ATOM 32 C GLY A 4 26.957 17.398 -17.504 1.00 0.00 C ATOM 33 O GLY A 4 26.074 18.195 -17.189 1.00 0.00 O ATOM 0 H GLY A 4 28.613 19.667 -16.498 1.00 0.00 H new ATOM 0 HA2 GLY A 4 28.936 18.029 -18.082 1.00 0.00 H new ATOM 0 HA3 GLY A 4 28.918 16.782 -16.851 1.00 0.00 H new ATOM 37 N SER A 5 26.742 16.250 -18.129 1.00 0.00 N ATOM 38 CA SER A 5 25.399 15.838 -18.498 1.00 0.00 C ATOM 39 C SER A 5 24.471 15.931 -17.285 1.00 0.00 C ATOM 40 O SER A 5 24.936 16.021 -16.150 1.00 0.00 O ATOM 41 CB SER A 5 25.394 14.416 -19.063 1.00 0.00 C ATOM 42 OG SER A 5 25.339 13.433 -18.033 1.00 0.00 O ATOM 0 H SER A 5 27.476 15.592 -18.389 1.00 0.00 H new ATOM 0 HA SER A 5 25.037 16.510 -19.276 1.00 0.00 H new ATOM 0 HB2 SER A 5 24.539 14.293 -19.728 1.00 0.00 H new ATOM 0 HB3 SER A 5 26.290 14.262 -19.664 1.00 0.00 H new ATOM 0 HG SER A 5 25.336 12.539 -18.434 1.00 0.00 H new ATOM 48 N SER A 6 23.177 15.905 -17.567 1.00 0.00 N ATOM 49 CA SER A 6 22.180 15.985 -16.513 1.00 0.00 C ATOM 50 C SER A 6 20.780 15.796 -17.101 1.00 0.00 C ATOM 51 O SER A 6 20.061 14.875 -16.717 1.00 0.00 O ATOM 52 CB SER A 6 22.268 17.320 -15.772 1.00 0.00 C ATOM 53 OG SER A 6 21.064 17.624 -15.073 1.00 0.00 O ATOM 0 H SER A 6 22.796 15.830 -18.510 1.00 0.00 H new ATOM 0 HA SER A 6 22.377 15.188 -15.796 1.00 0.00 H new ATOM 0 HB2 SER A 6 23.098 17.289 -15.067 1.00 0.00 H new ATOM 0 HB3 SER A 6 22.484 18.116 -16.484 1.00 0.00 H new ATOM 0 HG SER A 6 21.161 18.483 -14.612 1.00 0.00 H new ATOM 59 N GLY A 7 20.436 16.682 -18.023 1.00 0.00 N ATOM 60 CA GLY A 7 19.135 16.625 -18.668 1.00 0.00 C ATOM 61 C GLY A 7 18.722 15.177 -18.942 1.00 0.00 C ATOM 62 O GLY A 7 19.323 14.504 -19.779 1.00 0.00 O ATOM 0 H GLY A 7 21.036 17.444 -18.339 1.00 0.00 H new ATOM 0 HA2 GLY A 7 18.390 17.106 -18.035 1.00 0.00 H new ATOM 0 HA3 GLY A 7 19.165 17.182 -19.604 1.00 0.00 H new ATOM 66 N LEU A 8 17.701 14.740 -18.220 1.00 0.00 N ATOM 67 CA LEU A 8 17.201 13.384 -18.374 1.00 0.00 C ATOM 68 C LEU A 8 15.852 13.422 -19.096 1.00 0.00 C ATOM 69 O LEU A 8 14.880 13.966 -18.574 1.00 0.00 O ATOM 70 CB LEU A 8 17.155 12.673 -17.020 1.00 0.00 C ATOM 71 CG LEU A 8 16.516 13.457 -15.872 1.00 0.00 C ATOM 72 CD1 LEU A 8 15.400 12.648 -15.210 1.00 0.00 C ATOM 73 CD2 LEU A 8 17.574 13.909 -14.862 1.00 0.00 C ATOM 0 H LEU A 8 17.206 15.301 -17.527 1.00 0.00 H new ATOM 0 HA LEU A 8 17.878 12.796 -18.993 1.00 0.00 H new ATOM 0 HB2 LEU A 8 16.610 11.737 -17.142 1.00 0.00 H new ATOM 0 HB3 LEU A 8 18.174 12.414 -16.733 1.00 0.00 H new ATOM 0 HG LEU A 8 16.059 14.357 -16.285 1.00 0.00 H new ATOM 0 HD11 LEU A 8 14.963 13.228 -14.397 1.00 0.00 H new ATOM 0 HD12 LEU A 8 14.630 12.419 -15.947 1.00 0.00 H new ATOM 0 HD13 LEU A 8 15.810 11.719 -14.813 1.00 0.00 H new ATOM 0 HD21 LEU A 8 17.094 14.464 -14.056 1.00 0.00 H new ATOM 0 HD22 LEU A 8 18.080 13.036 -14.450 1.00 0.00 H new ATOM 0 HD23 LEU A 8 18.302 14.549 -15.360 1.00 0.00 H new ATOM 85 N LEU A 9 15.837 12.836 -20.284 1.00 0.00 N ATOM 86 CA LEU A 9 14.623 12.795 -21.082 1.00 0.00 C ATOM 87 C LEU A 9 14.459 11.397 -21.681 1.00 0.00 C ATOM 88 O LEU A 9 15.445 10.721 -21.970 1.00 0.00 O ATOM 89 CB LEU A 9 14.631 13.914 -22.126 1.00 0.00 C ATOM 90 CG LEU A 9 14.074 15.263 -21.667 1.00 0.00 C ATOM 91 CD1 LEU A 9 15.171 16.122 -21.034 1.00 0.00 C ATOM 92 CD2 LEU A 9 13.371 15.987 -22.817 1.00 0.00 C ATOM 0 H LEU A 9 16.645 12.386 -20.713 1.00 0.00 H new ATOM 0 HA LEU A 9 13.749 12.979 -20.457 1.00 0.00 H new ATOM 0 HB2 LEU A 9 15.657 14.062 -22.463 1.00 0.00 H new ATOM 0 HB3 LEU A 9 14.057 13.581 -22.991 1.00 0.00 H new ATOM 0 HG LEU A 9 13.324 15.079 -20.897 1.00 0.00 H new ATOM 0 HD11 LEU A 9 14.749 17.075 -20.716 1.00 0.00 H new ATOM 0 HD12 LEU A 9 15.586 15.603 -20.170 1.00 0.00 H new ATOM 0 HD13 LEU A 9 15.960 16.300 -21.764 1.00 0.00 H new ATOM 0 HD21 LEU A 9 12.985 16.943 -22.463 1.00 0.00 H new ATOM 0 HD22 LEU A 9 14.081 16.160 -23.626 1.00 0.00 H new ATOM 0 HD23 LEU A 9 12.546 15.375 -23.182 1.00 0.00 H new ATOM 104 N SER A 10 13.204 11.004 -21.850 1.00 0.00 N ATOM 105 CA SER A 10 12.898 9.699 -22.410 1.00 0.00 C ATOM 106 C SER A 10 12.295 9.857 -23.807 1.00 0.00 C ATOM 107 O SER A 10 11.780 10.920 -24.148 1.00 0.00 O ATOM 108 CB SER A 10 11.941 8.922 -21.503 1.00 0.00 C ATOM 109 OG SER A 10 12.562 7.776 -20.928 1.00 0.00 O ATOM 0 H SER A 10 12.388 11.567 -21.609 1.00 0.00 H new ATOM 0 HA SER A 10 13.826 9.132 -22.484 1.00 0.00 H new ATOM 0 HB2 SER A 10 11.583 9.577 -20.709 1.00 0.00 H new ATOM 0 HB3 SER A 10 11.069 8.611 -22.078 1.00 0.00 H new ATOM 0 HG SER A 10 11.919 7.309 -20.355 1.00 0.00 H new ATOM 115 N HIS A 11 12.379 8.782 -24.578 1.00 0.00 N ATOM 116 CA HIS A 11 11.848 8.788 -25.930 1.00 0.00 C ATOM 117 C HIS A 11 10.347 8.491 -25.894 1.00 0.00 C ATOM 118 O HIS A 11 9.536 9.319 -26.306 1.00 0.00 O ATOM 119 CB HIS A 11 12.623 7.817 -26.823 1.00 0.00 C ATOM 120 CG HIS A 11 14.082 8.168 -26.990 1.00 0.00 C ATOM 121 ND1 HIS A 11 14.584 8.764 -28.133 1.00 0.00 N ATOM 122 CD2 HIS A 11 15.141 8.001 -26.146 1.00 0.00 C ATOM 123 CE1 HIS A 11 15.887 8.943 -27.975 1.00 0.00 C ATOM 124 NE2 HIS A 11 16.231 8.469 -26.743 1.00 0.00 N ATOM 0 H HIS A 11 12.807 7.901 -24.292 1.00 0.00 H new ATOM 0 HA HIS A 11 11.977 9.777 -26.370 1.00 0.00 H new ATOM 0 HB2 HIS A 11 12.547 6.814 -26.403 1.00 0.00 H new ATOM 0 HB3 HIS A 11 12.152 7.788 -27.806 1.00 0.00 H new ATOM 0 HD2 HIS A 11 15.100 7.563 -25.160 1.00 0.00 H new ATOM 0 HE1 HIS A 11 16.559 9.386 -28.695 1.00 0.00 H new ATOM 0 HE2 HIS A 11 17.170 8.473 -26.346 1.00 0.00 H new ATOM 132 N MET A 12 10.023 7.306 -25.397 1.00 0.00 N ATOM 133 CA MET A 12 8.635 6.889 -25.301 1.00 0.00 C ATOM 134 C MET A 12 8.510 5.568 -24.539 1.00 0.00 C ATOM 135 O MET A 12 8.445 4.500 -25.146 1.00 0.00 O ATOM 136 CB MET A 12 8.053 6.724 -26.707 1.00 0.00 C ATOM 137 CG MET A 12 6.585 7.151 -26.746 1.00 0.00 C ATOM 138 SD MET A 12 6.087 7.473 -28.429 1.00 0.00 S ATOM 139 CE MET A 12 5.135 6.000 -28.759 1.00 0.00 C ATOM 0 H MET A 12 10.698 6.622 -25.057 1.00 0.00 H new ATOM 0 HA MET A 12 8.082 7.655 -24.756 1.00 0.00 H new ATOM 0 HB2 MET A 12 8.628 7.321 -27.415 1.00 0.00 H new ATOM 0 HB3 MET A 12 8.141 5.684 -27.021 1.00 0.00 H new ATOM 0 HG2 MET A 12 5.959 6.369 -26.316 1.00 0.00 H new ATOM 0 HG3 MET A 12 6.441 8.044 -26.138 1.00 0.00 H new ATOM 0 HE1 MET A 12 4.747 6.038 -29.777 1.00 0.00 H new ATOM 0 HE2 MET A 12 5.772 5.122 -28.646 1.00 0.00 H new ATOM 0 HE3 MET A 12 4.304 5.939 -28.056 1.00 0.00 H new ATOM 149 N ASP A 13 8.481 5.684 -23.219 1.00 0.00 N ATOM 150 CA ASP A 13 8.365 4.513 -22.367 1.00 0.00 C ATOM 151 C ASP A 13 9.516 3.551 -22.671 1.00 0.00 C ATOM 152 O ASP A 13 10.216 3.711 -23.670 1.00 0.00 O ATOM 153 CB ASP A 13 7.051 3.773 -22.623 1.00 0.00 C ATOM 154 CG ASP A 13 5.786 4.570 -22.293 1.00 0.00 C ATOM 155 OD1 ASP A 13 5.501 4.707 -21.084 1.00 0.00 O ATOM 156 OD2 ASP A 13 5.134 5.023 -23.258 1.00 0.00 O ATOM 0 H ASP A 13 8.536 6.571 -22.719 1.00 0.00 H new ATOM 0 HA ASP A 13 8.395 4.847 -21.330 1.00 0.00 H new ATOM 0 HB2 ASP A 13 7.015 3.480 -23.672 1.00 0.00 H new ATOM 0 HB3 ASP A 13 7.048 2.855 -22.035 1.00 0.00 H new ATOM 161 N ASP A 14 9.675 2.573 -21.792 1.00 0.00 N ATOM 162 CA ASP A 14 10.728 1.585 -21.954 1.00 0.00 C ATOM 163 C ASP A 14 10.180 0.383 -22.725 1.00 0.00 C ATOM 164 O ASP A 14 9.104 -0.124 -22.410 1.00 0.00 O ATOM 165 CB ASP A 14 11.230 1.087 -20.597 1.00 0.00 C ATOM 166 CG ASP A 14 10.153 0.495 -19.687 1.00 0.00 C ATOM 167 OD1 ASP A 14 9.467 1.299 -19.020 1.00 0.00 O ATOM 168 OD2 ASP A 14 10.039 -0.750 -19.678 1.00 0.00 O ATOM 0 H ASP A 14 9.092 2.443 -20.965 1.00 0.00 H new ATOM 0 HA ASP A 14 11.551 2.055 -22.493 1.00 0.00 H new ATOM 0 HB2 ASP A 14 11.998 0.332 -20.765 1.00 0.00 H new ATOM 0 HB3 ASP A 14 11.708 1.917 -20.077 1.00 0.00 H new ATOM 173 N PRO A 15 10.965 -0.051 -23.748 1.00 0.00 N ATOM 174 CA PRO A 15 10.569 -1.184 -24.567 1.00 0.00 C ATOM 175 C PRO A 15 10.765 -2.501 -23.812 1.00 0.00 C ATOM 176 O PRO A 15 10.263 -3.542 -24.232 1.00 0.00 O ATOM 177 CB PRO A 15 11.425 -1.083 -25.818 1.00 0.00 C ATOM 178 CG PRO A 15 12.589 -0.175 -25.455 1.00 0.00 C ATOM 179 CD PRO A 15 12.245 0.524 -24.150 1.00 0.00 C ATOM 0 HA PRO A 15 9.510 -1.168 -24.823 1.00 0.00 H new ATOM 0 HB2 PRO A 15 11.779 -2.066 -26.129 1.00 0.00 H new ATOM 0 HB3 PRO A 15 10.854 -0.672 -26.650 1.00 0.00 H new ATOM 0 HG2 PRO A 15 13.506 -0.754 -25.348 1.00 0.00 H new ATOM 0 HG3 PRO A 15 12.764 0.556 -26.245 1.00 0.00 H new ATOM 0 HD2 PRO A 15 13.011 0.351 -23.394 1.00 0.00 H new ATOM 0 HD3 PRO A 15 12.169 1.603 -24.287 1.00 0.00 H new ATOM 187 N ASP A 16 11.497 -2.411 -22.711 1.00 0.00 N ATOM 188 CA ASP A 16 11.766 -3.582 -21.894 1.00 0.00 C ATOM 189 C ASP A 16 13.035 -3.345 -21.073 1.00 0.00 C ATOM 190 O ASP A 16 14.073 -2.977 -21.619 1.00 0.00 O ATOM 191 CB ASP A 16 11.991 -4.821 -22.764 1.00 0.00 C ATOM 192 CG ASP A 16 10.808 -5.788 -22.830 1.00 0.00 C ATOM 193 OD1 ASP A 16 9.704 -5.364 -22.424 1.00 0.00 O ATOM 194 OD2 ASP A 16 11.033 -6.931 -23.284 1.00 0.00 O ATOM 0 H ASP A 16 11.912 -1.545 -22.366 1.00 0.00 H new ATOM 0 HA ASP A 16 10.904 -3.747 -21.247 1.00 0.00 H new ATOM 0 HB2 ASP A 16 12.233 -4.497 -23.776 1.00 0.00 H new ATOM 0 HB3 ASP A 16 12.860 -5.359 -22.386 1.00 0.00 H new ATOM 199 N ILE A 17 12.909 -3.567 -19.772 1.00 0.00 N ATOM 200 CA ILE A 17 14.032 -3.382 -18.870 1.00 0.00 C ATOM 201 C ILE A 17 14.275 -4.677 -18.093 1.00 0.00 C ATOM 202 O ILE A 17 14.204 -5.767 -18.658 1.00 0.00 O ATOM 203 CB ILE A 17 13.806 -2.161 -17.975 1.00 0.00 C ATOM 204 CG1 ILE A 17 12.990 -1.091 -18.704 1.00 0.00 C ATOM 205 CG2 ILE A 17 15.134 -1.611 -17.452 1.00 0.00 C ATOM 206 CD1 ILE A 17 12.866 0.176 -17.856 1.00 0.00 C ATOM 0 H ILE A 17 12.046 -3.873 -19.322 1.00 0.00 H new ATOM 0 HA ILE A 17 14.941 -3.172 -19.433 1.00 0.00 H new ATOM 0 HB ILE A 17 13.224 -2.476 -17.108 1.00 0.00 H new ATOM 0 HG12 ILE A 17 13.465 -0.851 -19.655 1.00 0.00 H new ATOM 0 HG13 ILE A 17 11.997 -1.479 -18.933 1.00 0.00 H new ATOM 0 HG21 ILE A 17 14.945 -0.744 -16.819 1.00 0.00 H new ATOM 0 HG22 ILE A 17 15.643 -2.380 -16.871 1.00 0.00 H new ATOM 0 HG23 ILE A 17 15.762 -1.316 -18.293 1.00 0.00 H new ATOM 0 HD11 ILE A 17 12.282 0.920 -18.397 1.00 0.00 H new ATOM 0 HD12 ILE A 17 12.368 -0.063 -16.916 1.00 0.00 H new ATOM 0 HD13 ILE A 17 13.859 0.574 -17.650 1.00 0.00 H new ATOM 218 N ASP A 18 14.557 -4.515 -16.808 1.00 0.00 N ATOM 219 CA ASP A 18 14.811 -5.658 -15.947 1.00 0.00 C ATOM 220 C ASP A 18 13.580 -5.918 -15.077 1.00 0.00 C ATOM 221 O ASP A 18 13.663 -5.875 -13.850 1.00 0.00 O ATOM 222 CB ASP A 18 15.999 -5.396 -15.020 1.00 0.00 C ATOM 223 CG ASP A 18 16.639 -6.649 -14.420 1.00 0.00 C ATOM 224 OD1 ASP A 18 16.080 -7.149 -13.420 1.00 0.00 O ATOM 225 OD2 ASP A 18 17.673 -7.080 -14.975 1.00 0.00 O ATOM 0 H ASP A 18 14.615 -3.609 -16.342 1.00 0.00 H new ATOM 0 HA ASP A 18 15.032 -6.516 -16.582 1.00 0.00 H new ATOM 0 HB2 ASP A 18 16.760 -4.848 -15.575 1.00 0.00 H new ATOM 0 HB3 ASP A 18 15.670 -4.749 -14.207 1.00 0.00 H new ATOM 230 N ALA A 19 12.467 -6.183 -15.745 1.00 0.00 N ATOM 231 CA ALA A 19 11.221 -6.450 -15.047 1.00 0.00 C ATOM 232 C ALA A 19 10.193 -6.998 -16.040 1.00 0.00 C ATOM 233 O ALA A 19 9.470 -6.232 -16.675 1.00 0.00 O ATOM 234 CB ALA A 19 10.740 -5.174 -14.354 1.00 0.00 C ATOM 0 H ALA A 19 12.402 -6.219 -16.762 1.00 0.00 H new ATOM 0 HA ALA A 19 11.368 -7.204 -14.274 1.00 0.00 H new ATOM 0 HB1 ALA A 19 9.805 -5.375 -13.830 1.00 0.00 H new ATOM 0 HB2 ALA A 19 11.493 -4.843 -13.639 1.00 0.00 H new ATOM 0 HB3 ALA A 19 10.579 -4.394 -15.098 1.00 0.00 H new ATOM 240 N PRO A 20 10.161 -8.353 -16.145 1.00 0.00 N ATOM 241 CA PRO A 20 9.234 -9.012 -17.049 1.00 0.00 C ATOM 242 C PRO A 20 7.810 -8.987 -16.489 1.00 0.00 C ATOM 243 O PRO A 20 7.168 -10.029 -16.369 1.00 0.00 O ATOM 244 CB PRO A 20 9.781 -10.420 -17.216 1.00 0.00 C ATOM 245 CG PRO A 20 10.725 -10.642 -16.046 1.00 0.00 C ATOM 246 CD PRO A 20 11.003 -9.291 -15.408 1.00 0.00 C ATOM 0 HA PRO A 20 9.160 -8.510 -18.014 1.00 0.00 H new ATOM 0 HB2 PRO A 20 8.976 -11.155 -17.213 1.00 0.00 H new ATOM 0 HB3 PRO A 20 10.305 -10.525 -18.166 1.00 0.00 H new ATOM 0 HG2 PRO A 20 10.280 -11.322 -15.320 1.00 0.00 H new ATOM 0 HG3 PRO A 20 11.653 -11.102 -16.386 1.00 0.00 H new ATOM 0 HD2 PRO A 20 10.755 -9.296 -14.347 1.00 0.00 H new ATOM 0 HD3 PRO A 20 12.057 -9.024 -15.488 1.00 0.00 H new ATOM 254 N ILE A 21 7.359 -7.785 -16.160 1.00 0.00 N ATOM 255 CA ILE A 21 6.023 -7.611 -15.615 1.00 0.00 C ATOM 256 C ILE A 21 5.919 -8.356 -14.284 1.00 0.00 C ATOM 257 O ILE A 21 6.345 -9.505 -14.176 1.00 0.00 O ATOM 258 CB ILE A 21 4.968 -8.031 -16.640 1.00 0.00 C ATOM 259 CG1 ILE A 21 4.842 -6.992 -17.756 1.00 0.00 C ATOM 260 CG2 ILE A 21 3.625 -8.309 -15.961 1.00 0.00 C ATOM 261 CD1 ILE A 21 3.978 -7.521 -18.903 1.00 0.00 C ATOM 0 H ILE A 21 7.895 -6.923 -16.260 1.00 0.00 H new ATOM 0 HA ILE A 21 5.830 -6.559 -15.407 1.00 0.00 H new ATOM 0 HB ILE A 21 5.294 -8.962 -17.104 1.00 0.00 H new ATOM 0 HG12 ILE A 21 4.404 -6.077 -17.358 1.00 0.00 H new ATOM 0 HG13 ILE A 21 5.832 -6.734 -18.131 1.00 0.00 H new ATOM 0 HG21 ILE A 21 2.892 -8.606 -16.712 1.00 0.00 H new ATOM 0 HG22 ILE A 21 3.744 -9.112 -15.233 1.00 0.00 H new ATOM 0 HG23 ILE A 21 3.280 -7.408 -15.454 1.00 0.00 H new ATOM 0 HD11 ILE A 21 3.905 -6.763 -19.683 1.00 0.00 H new ATOM 0 HD12 ILE A 21 4.432 -8.422 -19.315 1.00 0.00 H new ATOM 0 HD13 ILE A 21 2.981 -7.755 -18.530 1.00 0.00 H new ATOM 273 N SER A 22 5.350 -7.672 -13.302 1.00 0.00 N ATOM 274 CA SER A 22 5.184 -8.255 -11.981 1.00 0.00 C ATOM 275 C SER A 22 3.734 -8.702 -11.785 1.00 0.00 C ATOM 276 O SER A 22 2.815 -8.103 -12.342 1.00 0.00 O ATOM 277 CB SER A 22 5.587 -7.264 -10.887 1.00 0.00 C ATOM 278 OG SER A 22 6.924 -7.474 -10.444 1.00 0.00 O ATOM 0 H SER A 22 4.998 -6.719 -13.395 1.00 0.00 H new ATOM 0 HA SER A 22 5.838 -9.123 -11.905 1.00 0.00 H new ATOM 0 HB2 SER A 22 5.486 -6.246 -11.264 1.00 0.00 H new ATOM 0 HB3 SER A 22 4.906 -7.360 -10.042 1.00 0.00 H new ATOM 0 HG SER A 22 7.144 -6.821 -9.747 1.00 0.00 H new ATOM 284 N HIS A 23 3.574 -9.751 -10.992 1.00 0.00 N ATOM 285 CA HIS A 23 2.251 -10.285 -10.715 1.00 0.00 C ATOM 286 C HIS A 23 2.346 -11.350 -9.620 1.00 0.00 C ATOM 287 O HIS A 23 3.104 -12.310 -9.747 1.00 0.00 O ATOM 288 CB HIS A 23 1.598 -10.809 -11.996 1.00 0.00 C ATOM 289 CG HIS A 23 0.433 -11.739 -11.755 1.00 0.00 C ATOM 290 ND1 HIS A 23 -0.759 -11.318 -11.192 1.00 0.00 N ATOM 291 CD2 HIS A 23 0.290 -13.072 -12.007 1.00 0.00 C ATOM 292 CE1 HIS A 23 -1.575 -12.358 -11.113 1.00 0.00 C ATOM 293 NE2 HIS A 23 -0.923 -13.444 -11.618 1.00 0.00 N ATOM 0 H HIS A 23 4.338 -10.246 -10.532 1.00 0.00 H new ATOM 0 HA HIS A 23 1.604 -9.490 -10.345 1.00 0.00 H new ATOM 0 HB2 HIS A 23 1.256 -9.962 -12.590 1.00 0.00 H new ATOM 0 HB3 HIS A 23 2.350 -11.331 -12.588 1.00 0.00 H new ATOM 0 HD2 HIS A 23 1.037 -13.715 -12.448 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -2.580 -12.348 -10.718 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -1.305 -14.387 -11.686 1.00 0.00 H new ATOM 301 N GLN A 24 1.567 -11.142 -8.569 1.00 0.00 N ATOM 302 CA GLN A 24 1.554 -12.072 -7.452 1.00 0.00 C ATOM 303 C GLN A 24 0.452 -11.694 -6.460 1.00 0.00 C ATOM 304 O GLN A 24 -0.213 -10.673 -6.625 1.00 0.00 O ATOM 305 CB GLN A 24 2.919 -12.121 -6.763 1.00 0.00 C ATOM 306 CG GLN A 24 3.338 -10.732 -6.277 1.00 0.00 C ATOM 307 CD GLN A 24 3.534 -10.719 -4.759 1.00 0.00 C ATOM 308 OE1 GLN A 24 3.936 -11.696 -4.151 1.00 0.00 O ATOM 309 NE2 GLN A 24 3.227 -9.559 -4.185 1.00 0.00 N ATOM 0 H GLN A 24 0.940 -10.344 -8.467 1.00 0.00 H new ATOM 0 HA GLN A 24 1.343 -13.070 -7.837 1.00 0.00 H new ATOM 0 HB2 GLN A 24 2.880 -12.809 -5.919 1.00 0.00 H new ATOM 0 HB3 GLN A 24 3.666 -12.509 -7.455 1.00 0.00 H new ATOM 0 HG2 GLN A 24 4.264 -10.434 -6.770 1.00 0.00 H new ATOM 0 HG3 GLN A 24 2.579 -10.001 -6.556 1.00 0.00 H new ATOM 0 HE21 GLN A 24 2.895 -8.780 -4.754 1.00 0.00 H new ATOM 0 HE22 GLN A 24 3.323 -9.448 -3.176 1.00 0.00 H new ATOM 318 N THR A 25 0.293 -12.538 -5.451 1.00 0.00 N ATOM 319 CA THR A 25 -0.716 -12.306 -4.432 1.00 0.00 C ATOM 320 C THR A 25 -0.056 -12.035 -3.079 1.00 0.00 C ATOM 321 O THR A 25 1.097 -12.405 -2.862 1.00 0.00 O ATOM 322 CB THR A 25 -1.659 -13.510 -4.418 1.00 0.00 C ATOM 323 OG1 THR A 25 -2.365 -13.414 -5.652 1.00 0.00 O ATOM 324 CG2 THR A 25 -2.751 -13.386 -3.353 1.00 0.00 C ATOM 0 H THR A 25 0.847 -13.384 -5.318 1.00 0.00 H new ATOM 0 HA THR A 25 -1.305 -11.416 -4.654 1.00 0.00 H new ATOM 0 HB THR A 25 -1.083 -14.419 -4.244 1.00 0.00 H new ATOM 0 HG1 THR A 25 -2.998 -14.159 -5.726 1.00 0.00 H new ATOM 0 HG21 THR A 25 -3.393 -14.266 -3.386 1.00 0.00 H new ATOM 0 HG22 THR A 25 -2.291 -13.308 -2.368 1.00 0.00 H new ATOM 0 HG23 THR A 25 -3.348 -12.495 -3.546 1.00 0.00 H new ATOM 332 N SER A 26 -0.815 -11.391 -2.205 1.00 0.00 N ATOM 333 CA SER A 26 -0.317 -11.066 -0.879 1.00 0.00 C ATOM 334 C SER A 26 0.877 -10.116 -0.986 1.00 0.00 C ATOM 335 O SER A 26 1.159 -9.586 -2.060 1.00 0.00 O ATOM 336 CB SER A 26 0.077 -12.330 -0.113 1.00 0.00 C ATOM 337 OG SER A 26 -0.735 -13.446 -0.469 1.00 0.00 O ATOM 0 H SER A 26 -1.771 -11.086 -2.389 1.00 0.00 H new ATOM 0 HA SER A 26 -1.116 -10.573 -0.326 1.00 0.00 H new ATOM 0 HB2 SER A 26 1.123 -12.564 -0.313 1.00 0.00 H new ATOM 0 HB3 SER A 26 -0.009 -12.146 0.958 1.00 0.00 H new ATOM 0 HG SER A 26 -0.451 -14.233 0.040 1.00 0.00 H new ATOM 343 N ASP A 27 1.547 -9.929 0.142 1.00 0.00 N ATOM 344 CA ASP A 27 2.704 -9.052 0.188 1.00 0.00 C ATOM 345 C ASP A 27 2.299 -7.654 -0.283 1.00 0.00 C ATOM 346 O ASP A 27 3.152 -6.845 -0.646 1.00 0.00 O ATOM 347 CB ASP A 27 3.816 -9.558 -0.734 1.00 0.00 C ATOM 348 CG ASP A 27 5.033 -10.146 -0.017 1.00 0.00 C ATOM 349 OD1 ASP A 27 5.108 -9.961 1.217 1.00 0.00 O ATOM 350 OD2 ASP A 27 5.860 -10.767 -0.719 1.00 0.00 O ATOM 0 H ASP A 27 1.310 -10.370 1.031 1.00 0.00 H new ATOM 0 HA ASP A 27 3.069 -9.030 1.215 1.00 0.00 H new ATOM 0 HB2 ASP A 27 3.401 -10.318 -1.396 1.00 0.00 H new ATOM 0 HB3 ASP A 27 4.148 -8.733 -1.364 1.00 0.00 H new ATOM 355 N ILE A 28 0.996 -7.412 -0.263 1.00 0.00 N ATOM 356 CA ILE A 28 0.467 -6.126 -0.684 1.00 0.00 C ATOM 357 C ILE A 28 1.322 -5.007 -0.085 1.00 0.00 C ATOM 358 O ILE A 28 1.238 -4.730 1.111 1.00 0.00 O ATOM 359 CB ILE A 28 -1.019 -6.018 -0.337 1.00 0.00 C ATOM 360 CG1 ILE A 28 -1.836 -7.069 -1.092 1.00 0.00 C ATOM 361 CG2 ILE A 28 -1.539 -4.601 -0.585 1.00 0.00 C ATOM 362 CD1 ILE A 28 -2.852 -7.742 -0.167 1.00 0.00 C ATOM 0 H ILE A 28 0.291 -8.085 0.038 1.00 0.00 H new ATOM 0 HA ILE A 28 0.525 -6.027 -1.768 1.00 0.00 H new ATOM 0 HB ILE A 28 -1.137 -6.222 0.727 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -2.355 -6.600 -1.928 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -1.168 -7.821 -1.513 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -2.598 -4.552 -0.330 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -0.984 -3.896 0.034 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -1.406 -4.343 -1.636 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -3.419 -8.484 -0.728 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -2.328 -8.231 0.655 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -3.533 -6.991 0.233 1.00 0.00 H new ATOM 374 N ASP A 29 2.124 -4.394 -0.943 1.00 0.00 N ATOM 375 CA ASP A 29 2.993 -3.312 -0.513 1.00 0.00 C ATOM 376 C ASP A 29 2.197 -2.344 0.366 1.00 0.00 C ATOM 377 O ASP A 29 1.006 -2.134 0.143 1.00 0.00 O ATOM 378 CB ASP A 29 3.531 -2.529 -1.712 1.00 0.00 C ATOM 379 CG ASP A 29 4.097 -3.388 -2.844 1.00 0.00 C ATOM 380 OD1 ASP A 29 4.438 -4.555 -2.555 1.00 0.00 O ATOM 381 OD2 ASP A 29 4.175 -2.858 -3.974 1.00 0.00 O ATOM 0 H ASP A 29 2.190 -4.626 -1.934 1.00 0.00 H new ATOM 0 HA ASP A 29 3.827 -3.747 0.037 1.00 0.00 H new ATOM 0 HB2 ASP A 29 2.728 -1.910 -2.112 1.00 0.00 H new ATOM 0 HB3 ASP A 29 4.312 -1.853 -1.364 1.00 0.00 H new ATOM 386 N GLN A 30 2.889 -1.780 1.345 1.00 0.00 N ATOM 387 CA GLN A 30 2.262 -0.839 2.258 1.00 0.00 C ATOM 388 C GLN A 30 2.237 0.562 1.642 1.00 0.00 C ATOM 389 O GLN A 30 1.420 1.398 2.026 1.00 0.00 O ATOM 390 CB GLN A 30 2.975 -0.830 3.611 1.00 0.00 C ATOM 391 CG GLN A 30 2.177 -0.035 4.647 1.00 0.00 C ATOM 392 CD GLN A 30 1.071 -0.893 5.264 1.00 0.00 C ATOM 393 OE1 GLN A 30 1.318 -1.827 6.010 1.00 0.00 O ATOM 394 NE2 GLN A 30 -0.158 -0.527 4.913 1.00 0.00 N ATOM 0 H GLN A 30 3.877 -1.956 1.526 1.00 0.00 H new ATOM 0 HA GLN A 30 1.234 -1.158 2.428 1.00 0.00 H new ATOM 0 HB2 GLN A 30 3.113 -1.853 3.960 1.00 0.00 H new ATOM 0 HB3 GLN A 30 3.968 -0.395 3.500 1.00 0.00 H new ATOM 0 HG2 GLN A 30 2.845 0.321 5.431 1.00 0.00 H new ATOM 0 HG3 GLN A 30 1.739 0.845 4.177 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -0.294 0.265 4.284 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -0.964 -1.038 5.272 1.00 0.00 H new ATOM 403 N SER A 31 3.142 0.775 0.698 1.00 0.00 N ATOM 404 CA SER A 31 3.234 2.059 0.026 1.00 0.00 C ATOM 405 C SER A 31 2.096 2.203 -0.987 1.00 0.00 C ATOM 406 O SER A 31 1.567 3.296 -1.182 1.00 0.00 O ATOM 407 CB SER A 31 4.587 2.221 -0.670 1.00 0.00 C ATOM 408 OG SER A 31 5.258 3.411 -0.262 1.00 0.00 O ATOM 0 H SER A 31 3.818 0.079 0.383 1.00 0.00 H new ATOM 0 HA SER A 31 3.145 2.844 0.777 1.00 0.00 H new ATOM 0 HB2 SER A 31 5.214 1.357 -0.449 1.00 0.00 H new ATOM 0 HB3 SER A 31 4.439 2.240 -1.750 1.00 0.00 H new ATOM 0 HG SER A 31 6.118 3.477 -0.727 1.00 0.00 H new ATOM 414 N SER A 32 1.752 1.082 -1.606 1.00 0.00 N ATOM 415 CA SER A 32 0.687 1.069 -2.594 1.00 0.00 C ATOM 416 C SER A 32 -0.661 1.310 -1.912 1.00 0.00 C ATOM 417 O SER A 32 -1.403 2.213 -2.296 1.00 0.00 O ATOM 418 CB SER A 32 0.665 -0.253 -3.362 1.00 0.00 C ATOM 419 OG SER A 32 1.848 -0.442 -4.134 1.00 0.00 O ATOM 0 H SER A 32 2.192 0.177 -1.442 1.00 0.00 H new ATOM 0 HA SER A 32 0.873 1.870 -3.309 1.00 0.00 H new ATOM 0 HB2 SER A 32 0.555 -1.079 -2.659 1.00 0.00 H new ATOM 0 HB3 SER A 32 -0.204 -0.276 -4.019 1.00 0.00 H new ATOM 0 HG SER A 32 1.796 -1.298 -4.608 1.00 0.00 H new ATOM 425 N VAL A 33 -0.939 0.485 -0.913 1.00 0.00 N ATOM 426 CA VAL A 33 -2.185 0.597 -0.174 1.00 0.00 C ATOM 427 C VAL A 33 -2.421 2.061 0.202 1.00 0.00 C ATOM 428 O VAL A 33 -3.555 2.537 0.180 1.00 0.00 O ATOM 429 CB VAL A 33 -2.160 -0.335 1.039 1.00 0.00 C ATOM 430 CG1 VAL A 33 -3.388 -0.116 1.924 1.00 0.00 C ATOM 431 CG2 VAL A 33 -2.052 -1.798 0.604 1.00 0.00 C ATOM 0 H VAL A 33 -0.322 -0.264 -0.598 1.00 0.00 H new ATOM 0 HA VAL A 33 -3.025 0.281 -0.793 1.00 0.00 H new ATOM 0 HB VAL A 33 -1.275 -0.094 1.628 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -3.345 -0.791 2.779 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -3.403 0.915 2.276 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -4.292 -0.316 1.348 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -2.036 -2.439 1.485 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -2.909 -2.057 -0.018 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -1.134 -1.941 0.034 1.00 0.00 H new ATOM 441 N ASP A 34 -1.331 2.735 0.538 1.00 0.00 N ATOM 442 CA ASP A 34 -1.404 4.136 0.918 1.00 0.00 C ATOM 443 C ASP A 34 -1.585 4.992 -0.337 1.00 0.00 C ATOM 444 O ASP A 34 -2.257 6.021 -0.299 1.00 0.00 O ATOM 445 CB ASP A 34 -0.119 4.585 1.616 1.00 0.00 C ATOM 446 CG ASP A 34 -0.182 5.973 2.256 1.00 0.00 C ATOM 447 OD1 ASP A 34 -0.873 6.090 3.292 1.00 0.00 O ATOM 448 OD2 ASP A 34 0.461 6.887 1.695 1.00 0.00 O ATOM 0 H ASP A 34 -0.392 2.337 0.555 1.00 0.00 H new ATOM 0 HA ASP A 34 -2.246 4.257 1.600 1.00 0.00 H new ATOM 0 HB2 ASP A 34 0.131 3.857 2.387 1.00 0.00 H new ATOM 0 HB3 ASP A 34 0.694 4.573 0.890 1.00 0.00 H new ATOM 453 N THR A 35 -0.973 4.534 -1.420 1.00 0.00 N ATOM 454 CA THR A 35 -1.058 5.245 -2.684 1.00 0.00 C ATOM 455 C THR A 35 -2.516 5.364 -3.132 1.00 0.00 C ATOM 456 O THR A 35 -2.864 6.265 -3.894 1.00 0.00 O ATOM 457 CB THR A 35 -0.169 4.519 -3.695 1.00 0.00 C ATOM 458 OG1 THR A 35 1.141 4.624 -3.144 1.00 0.00 O ATOM 459 CG2 THR A 35 -0.072 5.263 -5.029 1.00 0.00 C ATOM 0 H THR A 35 -0.417 3.680 -1.448 1.00 0.00 H new ATOM 0 HA THR A 35 -0.696 6.269 -2.587 1.00 0.00 H new ATOM 0 HB THR A 35 -0.558 3.515 -3.866 1.00 0.00 H new ATOM 0 HG1 THR A 35 1.338 3.824 -2.614 1.00 0.00 H new ATOM 0 HG21 THR A 35 0.570 4.706 -5.711 1.00 0.00 H new ATOM 0 HG22 THR A 35 -1.066 5.360 -5.465 1.00 0.00 H new ATOM 0 HG23 THR A 35 0.349 6.255 -4.863 1.00 0.00 H new ATOM 467 N LEU A 36 -3.330 4.440 -2.641 1.00 0.00 N ATOM 468 CA LEU A 36 -4.742 4.430 -2.982 1.00 0.00 C ATOM 469 C LEU A 36 -5.531 5.154 -1.889 1.00 0.00 C ATOM 470 O LEU A 36 -6.681 5.536 -2.099 1.00 0.00 O ATOM 471 CB LEU A 36 -5.221 2.999 -3.240 1.00 0.00 C ATOM 472 CG LEU A 36 -4.846 2.402 -4.598 1.00 0.00 C ATOM 473 CD1 LEU A 36 -4.732 0.879 -4.515 1.00 0.00 C ATOM 474 CD2 LEU A 36 -5.832 2.844 -5.682 1.00 0.00 C ATOM 0 H LEU A 36 -3.038 3.694 -2.010 1.00 0.00 H new ATOM 0 HA LEU A 36 -4.913 4.972 -3.912 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -4.818 2.355 -2.458 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -6.306 2.977 -3.143 1.00 0.00 H new ATOM 0 HG LEU A 36 -3.865 2.784 -4.879 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -4.465 0.480 -5.494 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -3.962 0.611 -3.791 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -5.688 0.459 -4.201 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -5.543 2.406 -6.637 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -6.836 2.510 -5.419 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -5.821 3.931 -5.763 1.00 0.00 H new ATOM 486 N LEU A 37 -4.882 5.320 -0.746 1.00 0.00 N ATOM 487 CA LEU A 37 -5.508 5.991 0.380 1.00 0.00 C ATOM 488 C LEU A 37 -5.723 7.466 0.034 1.00 0.00 C ATOM 489 O LEU A 37 -6.783 8.024 0.311 1.00 0.00 O ATOM 490 CB LEU A 37 -4.694 5.771 1.656 1.00 0.00 C ATOM 491 CG LEU A 37 -4.913 4.436 2.371 1.00 0.00 C ATOM 492 CD1 LEU A 37 -3.835 4.197 3.429 1.00 0.00 C ATOM 493 CD2 LEU A 37 -6.323 4.356 2.960 1.00 0.00 C ATOM 0 H LEU A 37 -3.928 5.001 -0.576 1.00 0.00 H new ATOM 0 HA LEU A 37 -6.491 5.563 0.579 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -3.636 5.858 1.408 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -4.925 6.576 2.354 1.00 0.00 H new ATOM 0 HG LEU A 37 -4.824 3.636 1.636 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -4.014 3.242 3.922 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -2.855 4.181 2.953 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -3.866 4.998 4.168 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -6.453 3.398 3.463 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -6.464 5.164 3.677 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -7.057 4.449 2.160 1.00 0.00 H new ATOM 505 N SER A 38 -4.699 8.055 -0.567 1.00 0.00 N ATOM 506 CA SER A 38 -4.763 9.454 -0.954 1.00 0.00 C ATOM 507 C SER A 38 -5.728 9.629 -2.128 1.00 0.00 C ATOM 508 O SER A 38 -6.587 10.509 -2.103 1.00 0.00 O ATOM 509 CB SER A 38 -3.376 9.987 -1.322 1.00 0.00 C ATOM 510 OG SER A 38 -2.797 10.745 -0.264 1.00 0.00 O ATOM 0 H SER A 38 -3.821 7.589 -0.795 1.00 0.00 H new ATOM 0 HA SER A 38 -5.129 10.028 -0.103 1.00 0.00 H new ATOM 0 HB2 SER A 38 -2.721 9.152 -1.570 1.00 0.00 H new ATOM 0 HB3 SER A 38 -3.452 10.609 -2.214 1.00 0.00 H new ATOM 0 HG SER A 38 -1.912 11.066 -0.538 1.00 0.00 H new ATOM 516 N PHE A 39 -5.554 8.777 -3.127 1.00 0.00 N ATOM 517 CA PHE A 39 -6.400 8.827 -4.308 1.00 0.00 C ATOM 518 C PHE A 39 -7.861 9.069 -3.927 1.00 0.00 C ATOM 519 O PHE A 39 -8.487 10.009 -4.414 1.00 0.00 O ATOM 520 CB PHE A 39 -6.283 7.467 -4.999 1.00 0.00 C ATOM 521 CG PHE A 39 -5.160 7.388 -6.034 1.00 0.00 C ATOM 522 CD1 PHE A 39 -3.903 7.789 -5.705 1.00 0.00 C ATOM 523 CD2 PHE A 39 -5.418 6.917 -7.284 1.00 0.00 C ATOM 524 CE1 PHE A 39 -2.859 7.716 -6.666 1.00 0.00 C ATOM 525 CE2 PHE A 39 -4.375 6.845 -8.245 1.00 0.00 C ATOM 526 CZ PHE A 39 -3.118 7.245 -7.915 1.00 0.00 C ATOM 0 H PHE A 39 -4.840 8.048 -3.144 1.00 0.00 H new ATOM 0 HA PHE A 39 -6.083 9.643 -4.958 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -6.120 6.700 -4.242 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -7.230 7.237 -5.487 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -3.698 8.163 -4.713 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -6.416 6.598 -7.545 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -1.861 8.034 -6.405 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -4.580 6.473 -9.238 1.00 0.00 H new ATOM 0 HZ PHE A 39 -2.325 7.189 -8.646 1.00 0.00 H new ATOM 536 N GLY A 40 -8.364 8.204 -3.058 1.00 0.00 N ATOM 537 CA GLY A 40 -9.740 8.311 -2.605 1.00 0.00 C ATOM 538 C GLY A 40 -10.369 6.928 -2.427 1.00 0.00 C ATOM 539 O GLY A 40 -11.447 6.660 -2.954 1.00 0.00 O ATOM 0 H GLY A 40 -7.842 7.425 -2.656 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -9.774 8.854 -1.661 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -10.320 8.888 -3.326 1.00 0.00 H new ATOM 543 N PHE A 41 -9.667 6.086 -1.683 1.00 0.00 N ATOM 544 CA PHE A 41 -10.142 4.736 -1.429 1.00 0.00 C ATOM 545 C PHE A 41 -9.855 4.316 0.014 1.00 0.00 C ATOM 546 O PHE A 41 -8.938 4.838 0.645 1.00 0.00 O ATOM 547 CB PHE A 41 -9.383 3.808 -2.379 1.00 0.00 C ATOM 548 CG PHE A 41 -9.412 4.255 -3.842 1.00 0.00 C ATOM 549 CD1 PHE A 41 -10.596 4.331 -4.506 1.00 0.00 C ATOM 550 CD2 PHE A 41 -8.254 4.576 -4.478 1.00 0.00 C ATOM 551 CE1 PHE A 41 -10.623 4.745 -5.864 1.00 0.00 C ATOM 552 CE2 PHE A 41 -8.281 4.991 -5.836 1.00 0.00 C ATOM 553 CZ PHE A 41 -9.465 5.067 -6.500 1.00 0.00 C ATOM 0 H PHE A 41 -8.773 6.312 -1.248 1.00 0.00 H new ATOM 0 HA PHE A 41 -11.219 4.685 -1.586 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -8.346 3.739 -2.051 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -9.807 2.806 -2.307 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -11.516 4.077 -4.001 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -7.314 4.515 -3.951 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -11.563 4.804 -6.392 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -7.361 5.246 -6.341 1.00 0.00 H new ATOM 0 HZ PHE A 41 -9.486 5.383 -7.533 1.00 0.00 H new ATOM 563 N ALA A 42 -10.658 3.377 0.494 1.00 0.00 N ATOM 564 CA ALA A 42 -10.501 2.881 1.851 1.00 0.00 C ATOM 565 C ALA A 42 -9.280 1.962 1.915 1.00 0.00 C ATOM 566 O ALA A 42 -8.931 1.317 0.928 1.00 0.00 O ATOM 567 CB ALA A 42 -11.786 2.176 2.288 1.00 0.00 C ATOM 0 H ALA A 42 -11.419 2.947 -0.032 1.00 0.00 H new ATOM 0 HA ALA A 42 -10.330 3.705 2.544 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -11.669 1.804 3.306 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -12.617 2.880 2.253 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -11.989 1.341 1.617 1.00 0.00 H new ATOM 573 N GLU A 43 -8.664 1.930 3.088 1.00 0.00 N ATOM 574 CA GLU A 43 -7.490 1.100 3.294 1.00 0.00 C ATOM 575 C GLU A 43 -7.814 -0.364 2.987 1.00 0.00 C ATOM 576 O GLU A 43 -6.958 -1.105 2.506 1.00 0.00 O ATOM 577 CB GLU A 43 -6.952 1.256 4.718 1.00 0.00 C ATOM 578 CG GLU A 43 -5.577 0.598 4.860 1.00 0.00 C ATOM 579 CD GLU A 43 -5.551 -0.368 6.046 1.00 0.00 C ATOM 580 OE1 GLU A 43 -5.681 0.130 7.186 1.00 0.00 O ATOM 581 OE2 GLU A 43 -5.402 -1.581 5.787 1.00 0.00 O ATOM 0 H GLU A 43 -8.956 2.466 3.905 1.00 0.00 H new ATOM 0 HA GLU A 43 -6.710 1.430 2.608 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -6.881 2.314 4.970 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -7.649 0.807 5.425 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -5.330 0.061 3.944 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -4.815 1.365 4.995 1.00 0.00 H new ATOM 588 N ASP A 44 -9.051 -0.736 3.279 1.00 0.00 N ATOM 589 CA ASP A 44 -9.499 -2.098 3.041 1.00 0.00 C ATOM 590 C ASP A 44 -9.512 -2.369 1.535 1.00 0.00 C ATOM 591 O ASP A 44 -8.922 -3.344 1.071 1.00 0.00 O ATOM 592 CB ASP A 44 -10.917 -2.313 3.572 1.00 0.00 C ATOM 593 CG ASP A 44 -11.326 -3.776 3.751 1.00 0.00 C ATOM 594 OD1 ASP A 44 -10.410 -4.599 3.966 1.00 0.00 O ATOM 595 OD2 ASP A 44 -12.545 -4.039 3.668 1.00 0.00 O ATOM 0 H ASP A 44 -9.758 -0.118 3.678 1.00 0.00 H new ATOM 0 HA ASP A 44 -8.816 -2.773 3.556 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -11.010 -1.805 4.532 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -11.620 -1.836 2.890 1.00 0.00 H new ATOM 600 N VAL A 45 -10.191 -1.490 0.813 1.00 0.00 N ATOM 601 CA VAL A 45 -10.288 -1.623 -0.630 1.00 0.00 C ATOM 602 C VAL A 45 -8.909 -1.400 -1.253 1.00 0.00 C ATOM 603 O VAL A 45 -8.565 -2.032 -2.251 1.00 0.00 O ATOM 604 CB VAL A 45 -11.351 -0.665 -1.173 1.00 0.00 C ATOM 605 CG1 VAL A 45 -11.190 -0.466 -2.682 1.00 0.00 C ATOM 606 CG2 VAL A 45 -12.759 -1.157 -0.832 1.00 0.00 C ATOM 0 H VAL A 45 -10.679 -0.683 1.201 1.00 0.00 H new ATOM 0 HA VAL A 45 -10.607 -2.630 -0.900 1.00 0.00 H new ATOM 0 HB VAL A 45 -11.208 0.302 -0.690 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -11.957 0.219 -3.043 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -10.205 -0.049 -2.891 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -11.293 -1.426 -3.189 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -13.495 -0.458 -1.229 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -12.918 -2.141 -1.274 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -12.869 -1.223 0.250 1.00 0.00 H new ATOM 616 N ALA A 46 -8.156 -0.499 -0.639 1.00 0.00 N ATOM 617 CA ALA A 46 -6.821 -0.186 -1.120 1.00 0.00 C ATOM 618 C ALA A 46 -6.001 -1.474 -1.214 1.00 0.00 C ATOM 619 O ALA A 46 -5.131 -1.599 -2.074 1.00 0.00 O ATOM 620 CB ALA A 46 -6.176 0.851 -0.198 1.00 0.00 C ATOM 0 H ALA A 46 -8.445 0.024 0.187 1.00 0.00 H new ATOM 0 HA ALA A 46 -6.865 0.249 -2.119 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -5.175 1.086 -0.559 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -6.781 1.758 -0.191 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -6.112 0.449 0.813 1.00 0.00 H new ATOM 626 N ARG A 47 -6.308 -2.399 -0.316 1.00 0.00 N ATOM 627 CA ARG A 47 -5.610 -3.673 -0.286 1.00 0.00 C ATOM 628 C ARG A 47 -6.294 -4.674 -1.219 1.00 0.00 C ATOM 629 O ARG A 47 -5.625 -5.398 -1.955 1.00 0.00 O ATOM 630 CB ARG A 47 -5.575 -4.248 1.132 1.00 0.00 C ATOM 631 CG ARG A 47 -4.138 -4.349 1.647 1.00 0.00 C ATOM 632 CD ARG A 47 -4.113 -4.684 3.140 1.00 0.00 C ATOM 633 NE ARG A 47 -2.797 -5.251 3.510 1.00 0.00 N ATOM 634 CZ ARG A 47 -2.559 -5.917 4.648 1.00 0.00 C ATOM 635 NH1 ARG A 47 -3.546 -6.103 5.534 1.00 0.00 N ATOM 636 NH2 ARG A 47 -1.333 -6.395 4.900 1.00 0.00 N ATOM 0 H ARG A 47 -7.030 -2.291 0.396 1.00 0.00 H new ATOM 0 HA ARG A 47 -4.587 -3.500 -0.621 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -6.161 -3.616 1.799 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -6.038 -5.235 1.140 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -3.601 -5.116 1.089 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -3.619 -3.407 1.473 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -4.309 -3.786 3.726 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -4.904 -5.396 3.374 1.00 0.00 H new ATOM 0 HE ARG A 47 -2.023 -5.127 2.858 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -4.479 -5.738 5.342 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -3.365 -6.610 6.400 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -0.581 -6.252 4.226 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -1.151 -6.902 5.766 1.00 0.00 H new ATOM 650 N LYS A 48 -7.617 -4.684 -1.157 1.00 0.00 N ATOM 651 CA LYS A 48 -8.398 -5.585 -1.988 1.00 0.00 C ATOM 652 C LYS A 48 -7.976 -5.419 -3.449 1.00 0.00 C ATOM 653 O LYS A 48 -7.708 -6.404 -4.136 1.00 0.00 O ATOM 654 CB LYS A 48 -9.895 -5.369 -1.752 1.00 0.00 C ATOM 655 CG LYS A 48 -10.303 -5.840 -0.354 1.00 0.00 C ATOM 656 CD LYS A 48 -11.776 -6.252 -0.323 1.00 0.00 C ATOM 657 CE LYS A 48 -12.080 -7.281 -1.413 1.00 0.00 C ATOM 658 NZ LYS A 48 -13.278 -8.074 -1.058 1.00 0.00 N ATOM 0 H LYS A 48 -8.168 -4.083 -0.544 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.202 -6.622 -1.715 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -10.137 -4.313 -1.869 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -10.468 -5.912 -2.504 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -9.680 -6.682 -0.054 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -10.130 -5.042 0.368 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -12.020 -6.669 0.654 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -12.406 -5.373 -0.461 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -12.241 -6.775 -2.365 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -11.224 -7.943 -1.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -13.470 -8.768 -1.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -13.111 -8.572 -0.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -14.096 -7.440 -0.955 1.00 0.00 H new ATOM 672 N ALA A 49 -7.931 -4.168 -3.881 1.00 0.00 N ATOM 673 CA ALA A 49 -7.546 -3.861 -5.248 1.00 0.00 C ATOM 674 C ALA A 49 -6.093 -4.285 -5.471 1.00 0.00 C ATOM 675 O ALA A 49 -5.724 -4.693 -6.572 1.00 0.00 O ATOM 676 CB ALA A 49 -7.766 -2.371 -5.518 1.00 0.00 C ATOM 0 H ALA A 49 -8.155 -3.354 -3.308 1.00 0.00 H new ATOM 0 HA ALA A 49 -8.164 -4.415 -5.955 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -7.477 -2.141 -6.543 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -8.818 -2.127 -5.374 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -7.159 -1.783 -4.829 1.00 0.00 H new ATOM 682 N LEU A 50 -5.308 -4.175 -4.410 1.00 0.00 N ATOM 683 CA LEU A 50 -3.903 -4.542 -4.477 1.00 0.00 C ATOM 684 C LEU A 50 -3.758 -6.039 -4.192 1.00 0.00 C ATOM 685 O LEU A 50 -2.645 -6.559 -4.142 1.00 0.00 O ATOM 686 CB LEU A 50 -3.073 -3.656 -3.546 1.00 0.00 C ATOM 687 CG LEU A 50 -2.854 -2.215 -4.011 1.00 0.00 C ATOM 688 CD1 LEU A 50 -2.258 -1.362 -2.890 1.00 0.00 C ATOM 689 CD2 LEU A 50 -1.999 -2.172 -5.280 1.00 0.00 C ATOM 0 H LEU A 50 -5.618 -3.837 -3.499 1.00 0.00 H new ATOM 0 HA LEU A 50 -3.511 -4.368 -5.479 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.559 -3.632 -2.571 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -2.098 -4.124 -3.405 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.824 -1.786 -4.261 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -2.112 -0.342 -3.247 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -2.938 -1.355 -2.038 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -1.299 -1.780 -2.585 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -1.859 -1.136 -5.589 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.028 -2.626 -5.080 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -2.500 -2.723 -6.075 1.00 0.00 H new ATOM 701 N LYS A 51 -4.899 -6.688 -4.014 1.00 0.00 N ATOM 702 CA LYS A 51 -4.913 -8.114 -3.737 1.00 0.00 C ATOM 703 C LYS A 51 -5.155 -8.881 -5.038 1.00 0.00 C ATOM 704 O LYS A 51 -4.505 -9.892 -5.298 1.00 0.00 O ATOM 705 CB LYS A 51 -5.926 -8.436 -2.636 1.00 0.00 C ATOM 706 CG LYS A 51 -6.498 -9.844 -2.812 1.00 0.00 C ATOM 707 CD LYS A 51 -7.076 -10.370 -1.497 1.00 0.00 C ATOM 708 CE LYS A 51 -5.990 -11.031 -0.646 1.00 0.00 C ATOM 709 NZ LYS A 51 -6.342 -10.962 0.790 1.00 0.00 N ATOM 0 H LYS A 51 -5.820 -6.253 -4.056 1.00 0.00 H new ATOM 0 HA LYS A 51 -3.945 -8.436 -3.353 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -5.447 -8.354 -1.661 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -6.735 -7.706 -2.656 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -7.276 -9.831 -3.576 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -5.716 -10.517 -3.164 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -7.529 -9.549 -0.941 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -7.868 -11.090 -1.706 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -5.867 -12.072 -0.947 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -5.034 -10.535 -0.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -5.594 -11.415 1.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -6.436 -9.967 1.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -7.243 -11.455 0.951 1.00 0.00 H new ATOM 723 N ALA A 52 -6.092 -8.370 -5.823 1.00 0.00 N ATOM 724 CA ALA A 52 -6.428 -8.994 -7.092 1.00 0.00 C ATOM 725 C ALA A 52 -5.481 -8.477 -8.176 1.00 0.00 C ATOM 726 O ALA A 52 -5.049 -9.237 -9.042 1.00 0.00 O ATOM 727 CB ALA A 52 -7.897 -8.720 -7.422 1.00 0.00 C ATOM 0 H ALA A 52 -6.629 -7.531 -5.605 1.00 0.00 H new ATOM 0 HA ALA A 52 -6.303 -10.075 -7.033 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -8.150 -9.188 -8.374 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -8.530 -9.132 -6.636 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -8.060 -7.644 -7.492 1.00 0.00 H new ATOM 733 N SER A 53 -5.184 -7.188 -8.093 1.00 0.00 N ATOM 734 CA SER A 53 -4.296 -6.561 -9.057 1.00 0.00 C ATOM 735 C SER A 53 -2.865 -7.065 -8.854 1.00 0.00 C ATOM 736 O SER A 53 -2.165 -7.361 -9.822 1.00 0.00 O ATOM 737 CB SER A 53 -4.343 -5.037 -8.939 1.00 0.00 C ATOM 738 OG SER A 53 -5.678 -4.540 -8.974 1.00 0.00 O ATOM 0 H SER A 53 -5.543 -6.561 -7.373 1.00 0.00 H new ATOM 0 HA SER A 53 -4.632 -6.831 -10.058 1.00 0.00 H new ATOM 0 HB2 SER A 53 -3.866 -4.731 -8.008 1.00 0.00 H new ATOM 0 HB3 SER A 53 -3.769 -4.592 -9.752 1.00 0.00 H new ATOM 0 HG SER A 53 -6.104 -4.684 -8.103 1.00 0.00 H new ATOM 744 N GLY A 54 -2.474 -7.147 -7.591 1.00 0.00 N ATOM 745 CA GLY A 54 -1.139 -7.610 -7.250 1.00 0.00 C ATOM 746 C GLY A 54 -0.130 -6.462 -7.307 1.00 0.00 C ATOM 747 O GLY A 54 0.453 -6.194 -8.357 1.00 0.00 O ATOM 0 H GLY A 54 -3.058 -6.901 -6.791 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -1.145 -8.044 -6.250 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -0.837 -8.399 -7.939 1.00 0.00 H new ATOM 751 N GLY A 55 0.047 -5.815 -6.164 1.00 0.00 N ATOM 752 CA GLY A 55 0.976 -4.701 -6.071 1.00 0.00 C ATOM 753 C GLY A 55 0.940 -3.849 -7.341 1.00 0.00 C ATOM 754 O GLY A 55 1.981 -3.560 -7.929 1.00 0.00 O ATOM 0 H GLY A 55 -0.437 -6.041 -5.295 1.00 0.00 H new ATOM 0 HA2 GLY A 55 0.725 -4.084 -5.208 1.00 0.00 H new ATOM 0 HA3 GLY A 55 1.986 -5.078 -5.910 1.00 0.00 H new ATOM 758 N ASP A 56 -0.269 -3.470 -7.726 1.00 0.00 N ATOM 759 CA ASP A 56 -0.455 -2.656 -8.916 1.00 0.00 C ATOM 760 C ASP A 56 -1.518 -1.591 -8.639 1.00 0.00 C ATOM 761 O ASP A 56 -2.703 -1.904 -8.537 1.00 0.00 O ATOM 762 CB ASP A 56 -0.933 -3.505 -10.095 1.00 0.00 C ATOM 763 CG ASP A 56 0.056 -4.575 -10.564 1.00 0.00 C ATOM 764 OD1 ASP A 56 1.272 -4.323 -10.427 1.00 0.00 O ATOM 765 OD2 ASP A 56 -0.428 -5.621 -11.049 1.00 0.00 O ATOM 0 H ASP A 56 -1.130 -3.711 -7.235 1.00 0.00 H new ATOM 0 HA ASP A 56 0.503 -2.200 -9.165 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -1.868 -3.992 -9.817 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -1.155 -2.844 -10.933 1.00 0.00 H new ATOM 770 N ILE A 57 -1.055 -0.354 -8.526 1.00 0.00 N ATOM 771 CA ILE A 57 -1.951 0.759 -8.263 1.00 0.00 C ATOM 772 C ILE A 57 -2.843 0.989 -9.484 1.00 0.00 C ATOM 773 O ILE A 57 -4.066 1.051 -9.362 1.00 0.00 O ATOM 774 CB ILE A 57 -1.158 1.996 -7.838 1.00 0.00 C ATOM 775 CG1 ILE A 57 -0.397 1.739 -6.536 1.00 0.00 C ATOM 776 CG2 ILE A 57 -2.068 3.222 -7.737 1.00 0.00 C ATOM 777 CD1 ILE A 57 -1.350 1.709 -5.340 1.00 0.00 C ATOM 0 H ILE A 57 -0.071 -0.099 -8.612 1.00 0.00 H new ATOM 0 HA ILE A 57 -2.610 0.529 -7.426 1.00 0.00 H new ATOM 0 HB ILE A 57 -0.416 2.207 -8.608 1.00 0.00 H new ATOM 0 HG12 ILE A 57 0.137 0.791 -6.604 1.00 0.00 H new ATOM 0 HG13 ILE A 57 0.352 2.517 -6.389 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -1.480 4.088 -7.433 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -2.526 3.416 -8.707 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -2.848 3.036 -6.999 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -0.783 1.525 -4.428 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -1.864 2.667 -5.260 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -2.083 0.914 -5.479 1.00 0.00 H new ATOM 789 N GLU A 58 -2.197 1.111 -10.635 1.00 0.00 N ATOM 790 CA GLU A 58 -2.916 1.333 -11.877 1.00 0.00 C ATOM 791 C GLU A 58 -4.035 0.302 -12.035 1.00 0.00 C ATOM 792 O GLU A 58 -5.152 0.646 -12.419 1.00 0.00 O ATOM 793 CB GLU A 58 -1.965 1.298 -13.075 1.00 0.00 C ATOM 794 CG GLU A 58 -1.239 2.634 -13.238 1.00 0.00 C ATOM 795 CD GLU A 58 -1.440 3.199 -14.646 1.00 0.00 C ATOM 796 OE1 GLU A 58 -0.973 2.535 -15.596 1.00 0.00 O ATOM 797 OE2 GLU A 58 -2.055 4.283 -14.740 1.00 0.00 O ATOM 0 H GLU A 58 -1.183 1.060 -10.733 1.00 0.00 H new ATOM 0 HA GLU A 58 -3.366 2.325 -11.841 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -1.237 0.498 -12.942 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -2.525 1.072 -13.982 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -1.610 3.346 -12.500 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -0.175 2.500 -13.045 1.00 0.00 H new ATOM 804 N LYS A 59 -3.697 -0.943 -11.731 1.00 0.00 N ATOM 805 CA LYS A 59 -4.659 -2.027 -11.833 1.00 0.00 C ATOM 806 C LYS A 59 -5.648 -1.937 -10.670 1.00 0.00 C ATOM 807 O LYS A 59 -6.860 -1.999 -10.874 1.00 0.00 O ATOM 808 CB LYS A 59 -3.940 -3.374 -11.927 1.00 0.00 C ATOM 809 CG LYS A 59 -3.548 -3.687 -13.372 1.00 0.00 C ATOM 810 CD LYS A 59 -4.023 -5.084 -13.779 1.00 0.00 C ATOM 811 CE LYS A 59 -3.009 -5.760 -14.704 1.00 0.00 C ATOM 812 NZ LYS A 59 -2.618 -7.082 -14.166 1.00 0.00 N ATOM 0 H LYS A 59 -2.769 -1.225 -11.414 1.00 0.00 H new ATOM 0 HA LYS A 59 -5.239 -1.937 -12.752 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -3.049 -3.359 -11.300 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -4.587 -4.163 -11.543 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -3.982 -2.943 -14.040 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -2.466 -3.621 -13.481 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -4.172 -5.695 -12.889 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -4.988 -5.012 -14.282 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -3.438 -5.878 -15.699 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -2.127 -5.128 -14.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -1.929 -7.527 -14.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -2.190 -6.961 -13.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -3.460 -7.688 -14.088 1.00 0.00 H new ATOM 826 N ALA A 60 -5.095 -1.792 -9.475 1.00 0.00 N ATOM 827 CA ALA A 60 -5.914 -1.693 -8.278 1.00 0.00 C ATOM 828 C ALA A 60 -6.952 -0.585 -8.466 1.00 0.00 C ATOM 829 O ALA A 60 -8.127 -0.770 -8.152 1.00 0.00 O ATOM 830 CB ALA A 60 -5.016 -1.452 -7.063 1.00 0.00 C ATOM 0 H ALA A 60 -4.090 -1.741 -9.309 1.00 0.00 H new ATOM 0 HA ALA A 60 -6.454 -2.624 -8.104 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -5.630 -1.378 -6.166 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -4.317 -2.282 -6.957 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -4.460 -0.525 -7.200 1.00 0.00 H new ATOM 836 N THR A 61 -6.480 0.543 -8.976 1.00 0.00 N ATOM 837 CA THR A 61 -7.352 1.682 -9.209 1.00 0.00 C ATOM 838 C THR A 61 -8.535 1.276 -10.090 1.00 0.00 C ATOM 839 O THR A 61 -9.576 1.931 -10.078 1.00 0.00 O ATOM 840 CB THR A 61 -6.508 2.809 -9.808 1.00 0.00 C ATOM 841 OG1 THR A 61 -5.490 3.033 -8.837 1.00 0.00 O ATOM 842 CG2 THR A 61 -7.264 4.138 -9.868 1.00 0.00 C ATOM 0 H THR A 61 -5.505 0.693 -9.235 1.00 0.00 H new ATOM 0 HA THR A 61 -7.789 2.043 -8.278 1.00 0.00 H new ATOM 0 HB THR A 61 -6.187 2.528 -10.811 1.00 0.00 H new ATOM 0 HG1 THR A 61 -4.682 2.540 -9.090 1.00 0.00 H new ATOM 0 HG21 THR A 61 -6.620 4.904 -10.301 1.00 0.00 H new ATOM 0 HG22 THR A 61 -8.155 4.022 -10.485 1.00 0.00 H new ATOM 0 HG23 THR A 61 -7.556 4.436 -8.861 1.00 0.00 H new ATOM 850 N ASP A 62 -8.336 0.197 -10.832 1.00 0.00 N ATOM 851 CA ASP A 62 -9.374 -0.305 -11.717 1.00 0.00 C ATOM 852 C ASP A 62 -10.271 -1.275 -10.946 1.00 0.00 C ATOM 853 O ASP A 62 -11.495 -1.155 -10.979 1.00 0.00 O ATOM 854 CB ASP A 62 -8.770 -1.060 -12.903 1.00 0.00 C ATOM 855 CG ASP A 62 -9.762 -1.432 -14.006 1.00 0.00 C ATOM 856 OD1 ASP A 62 -10.942 -1.045 -13.862 1.00 0.00 O ATOM 857 OD2 ASP A 62 -9.318 -2.094 -14.969 1.00 0.00 O ATOM 0 H ASP A 62 -7.471 -0.344 -10.839 1.00 0.00 H new ATOM 0 HA ASP A 62 -9.944 0.548 -12.085 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -7.979 -0.450 -13.338 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -8.302 -1.972 -12.533 1.00 0.00 H new ATOM 862 N TRP A 63 -9.627 -2.215 -10.269 1.00 0.00 N ATOM 863 CA TRP A 63 -10.351 -3.206 -9.491 1.00 0.00 C ATOM 864 C TRP A 63 -11.440 -2.481 -8.698 1.00 0.00 C ATOM 865 O TRP A 63 -12.601 -2.887 -8.716 1.00 0.00 O ATOM 866 CB TRP A 63 -9.398 -4.008 -8.602 1.00 0.00 C ATOM 867 CG TRP A 63 -10.089 -5.083 -7.761 1.00 0.00 C ATOM 868 CD1 TRP A 63 -10.142 -6.402 -7.989 1.00 0.00 C ATOM 869 CD2 TRP A 63 -10.828 -4.875 -6.538 1.00 0.00 C ATOM 870 NE1 TRP A 63 -10.858 -7.057 -7.008 1.00 0.00 N ATOM 871 CE2 TRP A 63 -11.288 -6.099 -6.098 1.00 0.00 C ATOM 872 CE3 TRP A 63 -11.099 -3.692 -5.829 1.00 0.00 C ATOM 873 CZ2 TRP A 63 -12.047 -6.259 -4.932 1.00 0.00 C ATOM 874 CZ3 TRP A 63 -11.858 -3.868 -4.666 1.00 0.00 C ATOM 875 CH2 TRP A 63 -12.328 -5.094 -4.209 1.00 0.00 C ATOM 0 H TRP A 63 -8.612 -2.311 -10.243 1.00 0.00 H new ATOM 0 HA TRP A 63 -10.825 -3.938 -10.145 1.00 0.00 H new ATOM 0 HB2 TRP A 63 -8.644 -4.482 -9.230 1.00 0.00 H new ATOM 0 HB3 TRP A 63 -8.874 -3.322 -7.937 1.00 0.00 H new ATOM 0 HD1 TRP A 63 -9.682 -6.891 -8.835 1.00 0.00 H new ATOM 0 HE1 TRP A 63 -11.038 -8.060 -6.960 1.00 0.00 H new ATOM 0 HE3 TRP A 63 -10.749 -2.724 -6.156 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 -12.396 -7.228 -4.608 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 -12.095 -2.990 -4.083 1.00 0.00 H new ATOM 0 HH2 TRP A 63 -12.908 -5.147 -3.299 1.00 0.00 H new ATOM 886 N VAL A 64 -11.027 -1.419 -8.022 1.00 0.00 N ATOM 887 CA VAL A 64 -11.953 -0.633 -7.224 1.00 0.00 C ATOM 888 C VAL A 64 -13.242 -0.410 -8.019 1.00 0.00 C ATOM 889 O VAL A 64 -14.336 -0.462 -7.461 1.00 0.00 O ATOM 890 CB VAL A 64 -11.288 0.673 -6.784 1.00 0.00 C ATOM 891 CG1 VAL A 64 -12.293 1.594 -6.090 1.00 0.00 C ATOM 892 CG2 VAL A 64 -10.083 0.397 -5.883 1.00 0.00 C ATOM 0 H VAL A 64 -10.064 -1.084 -8.010 1.00 0.00 H new ATOM 0 HA VAL A 64 -12.221 -1.168 -6.313 1.00 0.00 H new ATOM 0 HB VAL A 64 -10.929 1.184 -7.677 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -11.794 2.515 -5.788 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -13.105 1.830 -6.778 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -12.697 1.094 -5.210 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -9.628 1.341 -5.584 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -10.409 -0.146 -4.996 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -9.352 -0.202 -6.426 1.00 0.00 H new ATOM 902 N PHE A 65 -13.068 -0.165 -9.309 1.00 0.00 N ATOM 903 CA PHE A 65 -14.203 0.066 -10.186 1.00 0.00 C ATOM 904 C PHE A 65 -14.715 -1.248 -10.779 1.00 0.00 C ATOM 905 O PHE A 65 -15.886 -1.590 -10.620 1.00 0.00 O ATOM 906 CB PHE A 65 -13.714 0.968 -11.322 1.00 0.00 C ATOM 907 CG PHE A 65 -12.747 2.065 -10.873 1.00 0.00 C ATOM 908 CD1 PHE A 65 -12.755 2.492 -9.582 1.00 0.00 C ATOM 909 CD2 PHE A 65 -11.879 2.613 -11.765 1.00 0.00 C ATOM 910 CE1 PHE A 65 -11.857 3.510 -9.166 1.00 0.00 C ATOM 911 CE2 PHE A 65 -10.981 3.631 -11.349 1.00 0.00 C ATOM 912 CZ PHE A 65 -10.989 4.058 -10.058 1.00 0.00 C ATOM 0 H PHE A 65 -12.158 -0.121 -9.768 1.00 0.00 H new ATOM 0 HA PHE A 65 -15.019 0.523 -9.626 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -13.224 0.352 -12.076 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -14.576 1.432 -11.801 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -13.444 2.057 -8.873 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -11.873 2.274 -12.790 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -11.863 3.849 -8.141 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -10.292 4.066 -12.058 1.00 0.00 H new ATOM 0 HZ PHE A 65 -10.306 4.832 -9.741 1.00 0.00 H new ATOM 922 N ASN A 66 -13.813 -1.949 -11.450 1.00 0.00 N ATOM 923 CA ASN A 66 -14.160 -3.218 -12.067 1.00 0.00 C ATOM 924 C ASN A 66 -15.073 -4.005 -11.126 1.00 0.00 C ATOM 925 O ASN A 66 -16.139 -4.468 -11.532 1.00 0.00 O ATOM 926 CB ASN A 66 -12.910 -4.062 -12.329 1.00 0.00 C ATOM 927 CG ASN A 66 -12.500 -3.992 -13.801 1.00 0.00 C ATOM 928 OD1 ASN A 66 -11.217 -3.700 -13.992 1.00 0.00 O flip ATOM 929 ND2 ASN A 66 -13.296 -4.190 -14.704 1.00 0.00 N flip ATOM 0 H ASN A 66 -12.843 -1.662 -11.580 1.00 0.00 H new ATOM 0 HA ASN A 66 -14.659 -3.008 -13.013 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -12.091 -3.709 -11.702 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -13.101 -5.098 -12.050 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -14.268 -4.410 -14.488 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -12.989 -4.135 -15.675 1.00 0.00 H new ATOM 936 N ASN A 67 -14.623 -4.134 -9.886 1.00 0.00 N ATOM 937 CA ASN A 67 -15.387 -4.858 -8.884 1.00 0.00 C ATOM 938 C ASN A 67 -15.944 -3.867 -7.860 1.00 0.00 C ATOM 939 O ASN A 67 -15.202 -3.344 -7.030 1.00 0.00 O ATOM 940 CB ASN A 67 -14.506 -5.862 -8.139 1.00 0.00 C ATOM 941 CG ASN A 67 -14.191 -7.074 -9.018 1.00 0.00 C ATOM 942 OD1 ASN A 67 -15.048 -7.884 -9.332 1.00 0.00 O ATOM 943 ND2 ASN A 67 -12.919 -7.152 -9.397 1.00 0.00 N ATOM 0 H ASN A 67 -13.739 -3.749 -9.553 1.00 0.00 H new ATOM 0 HA ASN A 67 -16.190 -5.391 -9.392 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -13.578 -5.379 -7.833 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -15.010 -6.189 -7.230 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -12.609 -7.924 -9.987 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -12.253 -6.439 -9.098 1.00 0.00 H new ATOM 950 N SER A 68 -17.246 -3.638 -7.952 1.00 0.00 N ATOM 951 CA SER A 68 -17.911 -2.719 -7.044 1.00 0.00 C ATOM 952 C SER A 68 -19.340 -3.193 -6.774 1.00 0.00 C ATOM 953 O SER A 68 -20.013 -3.694 -7.675 1.00 0.00 O ATOM 954 CB SER A 68 -17.921 -1.297 -7.609 1.00 0.00 C ATOM 955 OG SER A 68 -17.750 -0.317 -6.590 1.00 0.00 O ATOM 0 H SER A 68 -17.858 -4.073 -8.642 1.00 0.00 H new ATOM 0 HA SER A 68 -17.357 -2.704 -6.106 1.00 0.00 H new ATOM 0 HB2 SER A 68 -17.126 -1.195 -8.347 1.00 0.00 H new ATOM 0 HB3 SER A 68 -18.863 -1.120 -8.128 1.00 0.00 H new ATOM 0 HG SER A 68 -17.760 0.577 -6.991 1.00 0.00 H new ATOM 961 N GLY A 69 -19.763 -3.018 -5.531 1.00 0.00 N ATOM 962 CA GLY A 69 -21.100 -3.422 -5.131 1.00 0.00 C ATOM 963 C GLY A 69 -22.066 -2.236 -5.173 1.00 0.00 C ATOM 964 O GLY A 69 -21.689 -1.137 -5.578 1.00 0.00 O ATOM 0 H GLY A 69 -19.203 -2.602 -4.787 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -21.458 -4.211 -5.792 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -21.072 -3.838 -4.124 1.00 0.00 H new ATOM 968 N PRO A 70 -23.326 -2.505 -4.736 1.00 0.00 N ATOM 969 CA PRO A 70 -24.349 -1.473 -4.719 1.00 0.00 C ATOM 970 C PRO A 70 -24.121 -0.493 -3.566 1.00 0.00 C ATOM 971 O PRO A 70 -23.670 -0.888 -2.492 1.00 0.00 O ATOM 972 CB PRO A 70 -25.665 -2.225 -4.609 1.00 0.00 C ATOM 973 CG PRO A 70 -25.310 -3.613 -4.101 1.00 0.00 C ATOM 974 CD PRO A 70 -23.808 -3.794 -4.248 1.00 0.00 C ATOM 0 HA PRO A 70 -24.335 -0.852 -5.615 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -26.347 -1.721 -3.924 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -26.166 -2.279 -5.575 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -25.608 -3.725 -3.058 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -25.844 -4.375 -4.669 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -23.345 -4.055 -3.296 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -23.572 -4.596 -4.948 1.00 0.00 H new ATOM 982 N SER A 71 -24.443 0.765 -3.828 1.00 0.00 N ATOM 983 CA SER A 71 -24.279 1.803 -2.825 1.00 0.00 C ATOM 984 C SER A 71 -25.609 2.525 -2.597 1.00 0.00 C ATOM 985 O SER A 71 -26.054 3.297 -3.445 1.00 0.00 O ATOM 986 CB SER A 71 -23.197 2.803 -3.239 1.00 0.00 C ATOM 987 OG SER A 71 -23.054 3.858 -2.292 1.00 0.00 O ATOM 0 H SER A 71 -24.817 1.089 -4.720 1.00 0.00 H new ATOM 0 HA SER A 71 -23.964 1.332 -1.894 1.00 0.00 H new ATOM 0 HB2 SER A 71 -22.245 2.283 -3.348 1.00 0.00 H new ATOM 0 HB3 SER A 71 -23.445 3.222 -4.214 1.00 0.00 H new ATOM 0 HG SER A 71 -22.353 4.474 -2.592 1.00 0.00 H new ATOM 993 N SER A 72 -26.206 2.248 -1.447 1.00 0.00 N ATOM 994 CA SER A 72 -27.476 2.861 -1.097 1.00 0.00 C ATOM 995 C SER A 72 -28.567 2.394 -2.062 1.00 0.00 C ATOM 996 O SER A 72 -28.668 2.896 -3.181 1.00 0.00 O ATOM 997 CB SER A 72 -27.373 4.388 -1.111 1.00 0.00 C ATOM 998 OG SER A 72 -28.100 4.982 -0.040 1.00 0.00 O ATOM 0 H SER A 72 -25.834 1.607 -0.746 1.00 0.00 H new ATOM 0 HA SER A 72 -27.738 2.550 -0.086 1.00 0.00 H new ATOM 0 HB2 SER A 72 -26.325 4.681 -1.044 1.00 0.00 H new ATOM 0 HB3 SER A 72 -27.751 4.768 -2.060 1.00 0.00 H new ATOM 0 HG SER A 72 -28.008 5.957 -0.083 1.00 0.00 H new ATOM 1004 N GLY A 73 -29.356 1.438 -1.595 1.00 0.00 N ATOM 1005 CA GLY A 73 -30.436 0.897 -2.403 1.00 0.00 C ATOM 1006 C GLY A 73 -31.260 -0.118 -1.608 1.00 0.00 C ATOM 1007 O GLY A 73 -32.474 0.031 -1.477 1.00 0.00 O ATOM 0 H GLY A 73 -29.269 1.024 -0.667 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -31.081 1.707 -2.744 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -30.025 0.420 -3.293 1.00 0.00 H new TER 1011 GLY A 73