USER MOD reduce.3.24.130724 H: found=0, std=0, add=436, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 434 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 24 HIS : no HD1:sc= -1.71 K(o=-2.5,f=-3.3!) USER MOD Set 1.2: A 25 THR OG1 : rot 180:sc= -0.822 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 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 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= -0.915 USER MOD Single : A 11 SER OG : rot 180:sc= 0.276 USER MOD Single : A 19 MET CE :methyl -118:sc= -0.48 (180deg=-3.33!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot -77:sc= -0.0491 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0.0398 USER MOD Single : A 46 HIS : no HD1:sc= -0.364 X(o=-0.36,f=0.089) USER MOD Single : A 48 HIS : no HD1:sc= -9.37! C(o=-9.4!,f=-11!) USER MOD Single : A 49 CYS SG : rot 60:sc= -1.06 USER MOD Single : A 50 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -28.635 1.714 -6.978 1.00 0.00 N ATOM 2 CA GLY A 1 -28.700 0.298 -6.667 1.00 0.00 C ATOM 3 C GLY A 1 -27.671 -0.512 -7.431 1.00 0.00 C ATOM 4 O GLY A 1 -27.549 -0.383 -8.649 1.00 0.00 O ATOM 0 H1 GLY A 1 -29.358 2.223 -6.431 1.00 0.00 H new ATOM 0 H2 GLY A 1 -27.693 2.080 -6.733 1.00 0.00 H new ATOM 0 H3 GLY A 1 -28.807 1.855 -7.994 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -28.547 0.157 -5.597 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -29.697 -0.076 -6.899 1.00 0.00 H new ATOM 8 N SER A 2 -26.927 -1.348 -6.714 1.00 0.00 N ATOM 9 CA SER A 2 -25.899 -2.178 -7.332 1.00 0.00 C ATOM 10 C SER A 2 -25.443 -3.278 -6.377 1.00 0.00 C ATOM 11 O SER A 2 -25.859 -3.322 -5.219 1.00 0.00 O ATOM 12 CB SER A 2 -24.703 -1.320 -7.747 1.00 0.00 C ATOM 13 OG SER A 2 -24.253 -0.516 -6.670 1.00 0.00 O ATOM 0 H SER A 2 -27.017 -1.469 -5.705 1.00 0.00 H new ATOM 0 HA SER A 2 -26.328 -2.645 -8.219 1.00 0.00 H new ATOM 0 HB2 SER A 2 -23.892 -1.963 -8.089 1.00 0.00 H new ATOM 0 HB3 SER A 2 -24.982 -0.684 -8.588 1.00 0.00 H new ATOM 0 HG SER A 2 -23.487 0.021 -6.961 1.00 0.00 H new ATOM 19 N SER A 3 -24.586 -4.164 -6.873 1.00 0.00 N ATOM 20 CA SER A 3 -24.076 -5.267 -6.067 1.00 0.00 C ATOM 21 C SER A 3 -23.613 -4.772 -4.700 1.00 0.00 C ATOM 22 O SER A 3 -24.118 -5.208 -3.666 1.00 0.00 O ATOM 23 CB SER A 3 -22.920 -5.962 -6.789 1.00 0.00 C ATOM 24 OG SER A 3 -23.297 -6.353 -8.098 1.00 0.00 O ATOM 0 H SER A 3 -24.230 -4.140 -7.829 1.00 0.00 H new ATOM 0 HA SER A 3 -24.885 -5.982 -5.920 1.00 0.00 H new ATOM 0 HB2 SER A 3 -22.063 -5.291 -6.839 1.00 0.00 H new ATOM 0 HB3 SER A 3 -22.606 -6.838 -6.221 1.00 0.00 H new ATOM 0 HG SER A 3 -22.540 -6.793 -8.539 1.00 0.00 H new ATOM 30 N GLY A 4 -22.647 -3.858 -4.704 1.00 0.00 N ATOM 31 CA GLY A 4 -22.131 -3.319 -3.460 1.00 0.00 C ATOM 32 C GLY A 4 -20.623 -3.435 -3.359 1.00 0.00 C ATOM 33 O GLY A 4 -19.901 -2.473 -3.621 1.00 0.00 O ATOM 0 H GLY A 4 -22.213 -3.482 -5.547 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -22.418 -2.271 -3.375 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -22.590 -3.844 -2.622 1.00 0.00 H new ATOM 37 N SER A 5 -20.146 -4.615 -2.976 1.00 0.00 N ATOM 38 CA SER A 5 -18.714 -4.851 -2.835 1.00 0.00 C ATOM 39 C SER A 5 -18.063 -5.068 -4.198 1.00 0.00 C ATOM 40 O SER A 5 -18.624 -5.736 -5.067 1.00 0.00 O ATOM 41 CB SER A 5 -18.462 -6.065 -1.938 1.00 0.00 C ATOM 42 OG SER A 5 -18.890 -7.261 -2.566 1.00 0.00 O ATOM 0 H SER A 5 -20.730 -5.422 -2.758 1.00 0.00 H new ATOM 0 HA SER A 5 -18.269 -3.969 -2.375 1.00 0.00 H new ATOM 0 HB2 SER A 5 -17.400 -6.134 -1.704 1.00 0.00 H new ATOM 0 HB3 SER A 5 -18.989 -5.938 -0.993 1.00 0.00 H new ATOM 0 HG SER A 5 -18.716 -8.022 -1.973 1.00 0.00 H new ATOM 48 N SER A 6 -16.876 -4.498 -4.377 1.00 0.00 N ATOM 49 CA SER A 6 -16.148 -4.625 -5.634 1.00 0.00 C ATOM 50 C SER A 6 -14.671 -4.909 -5.381 1.00 0.00 C ATOM 51 O SER A 6 -14.216 -4.917 -4.238 1.00 0.00 O ATOM 52 CB SER A 6 -16.300 -3.350 -6.466 1.00 0.00 C ATOM 53 OG SER A 6 -16.187 -3.628 -7.851 1.00 0.00 O ATOM 0 H SER A 6 -16.398 -3.943 -3.667 1.00 0.00 H new ATOM 0 HA SER A 6 -16.570 -5.464 -6.187 1.00 0.00 H new ATOM 0 HB2 SER A 6 -17.268 -2.892 -6.262 1.00 0.00 H new ATOM 0 HB3 SER A 6 -15.538 -2.628 -6.173 1.00 0.00 H new ATOM 0 HG SER A 6 -16.289 -2.797 -8.361 1.00 0.00 H new ATOM 59 N GLY A 7 -13.926 -5.141 -6.458 1.00 0.00 N ATOM 60 CA GLY A 7 -12.508 -5.423 -6.332 1.00 0.00 C ATOM 61 C GLY A 7 -11.714 -4.211 -5.888 1.00 0.00 C ATOM 62 O GLY A 7 -10.942 -4.282 -4.931 1.00 0.00 O ATOM 0 H GLY A 7 -14.279 -5.139 -7.415 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -12.364 -6.231 -5.615 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -12.124 -5.774 -7.290 1.00 0.00 H new ATOM 66 N SER A 8 -11.901 -3.094 -6.585 1.00 0.00 N ATOM 67 CA SER A 8 -11.192 -1.862 -6.260 1.00 0.00 C ATOM 68 C SER A 8 -12.159 -0.794 -5.759 1.00 0.00 C ATOM 69 O SER A 8 -13.240 -0.608 -6.319 1.00 0.00 O ATOM 70 CB SER A 8 -10.434 -1.347 -7.485 1.00 0.00 C ATOM 71 OG SER A 8 -9.303 -2.155 -7.762 1.00 0.00 O ATOM 0 H SER A 8 -12.538 -3.017 -7.378 1.00 0.00 H new ATOM 0 HA SER A 8 -10.478 -2.081 -5.466 1.00 0.00 H new ATOM 0 HB2 SER A 8 -11.098 -1.337 -8.349 1.00 0.00 H new ATOM 0 HB3 SER A 8 -10.117 -0.318 -7.314 1.00 0.00 H new ATOM 0 HG SER A 8 -8.837 -1.806 -8.550 1.00 0.00 H new ATOM 77 N SER A 9 -11.763 -0.094 -4.701 1.00 0.00 N ATOM 78 CA SER A 9 -12.595 0.953 -4.122 1.00 0.00 C ATOM 79 C SER A 9 -11.742 1.977 -3.380 1.00 0.00 C ATOM 80 O SER A 9 -10.754 1.643 -2.725 1.00 0.00 O ATOM 81 CB SER A 9 -13.626 0.346 -3.169 1.00 0.00 C ATOM 82 OG SER A 9 -14.661 1.271 -2.881 1.00 0.00 O ATOM 0 H SER A 9 -10.870 -0.233 -4.227 1.00 0.00 H new ATOM 0 HA SER A 9 -13.115 1.460 -4.935 1.00 0.00 H new ATOM 0 HB2 SER A 9 -14.051 -0.554 -3.614 1.00 0.00 H new ATOM 0 HB3 SER A 9 -13.136 0.043 -2.243 1.00 0.00 H new ATOM 0 HG SER A 9 -15.308 0.859 -2.271 1.00 0.00 H new ATOM 88 N PRO A 10 -12.130 3.257 -3.484 1.00 0.00 N ATOM 89 CA PRO A 10 -11.416 4.357 -2.830 1.00 0.00 C ATOM 90 C PRO A 10 -11.574 4.330 -1.313 1.00 0.00 C ATOM 91 O PRO A 10 -11.073 5.209 -0.612 1.00 0.00 O ATOM 92 CB PRO A 10 -12.077 5.607 -3.415 1.00 0.00 C ATOM 93 CG PRO A 10 -13.441 5.162 -3.816 1.00 0.00 C ATOM 94 CD PRO A 10 -13.297 3.728 -4.248 1.00 0.00 C ATOM 0 HA PRO A 10 -10.341 4.306 -3.004 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -12.123 6.411 -2.680 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -11.518 5.988 -4.270 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -14.141 5.251 -2.985 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -13.830 5.777 -4.628 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -14.190 3.147 -4.017 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -13.133 3.647 -5.323 1.00 0.00 H new ATOM 102 N SER A 11 -12.273 3.316 -0.814 1.00 0.00 N ATOM 103 CA SER A 11 -12.499 3.177 0.620 1.00 0.00 C ATOM 104 C SER A 11 -11.186 3.276 1.390 1.00 0.00 C ATOM 105 O SER A 11 -10.900 4.291 2.026 1.00 0.00 O ATOM 106 CB SER A 11 -13.182 1.842 0.923 1.00 0.00 C ATOM 107 OG SER A 11 -12.495 0.767 0.306 1.00 0.00 O ATOM 0 H SER A 11 -12.692 2.579 -1.381 1.00 0.00 H new ATOM 0 HA SER A 11 -13.149 3.991 0.940 1.00 0.00 H new ATOM 0 HB2 SER A 11 -13.218 1.684 2.001 1.00 0.00 H new ATOM 0 HB3 SER A 11 -14.213 1.869 0.571 1.00 0.00 H new ATOM 0 HG SER A 11 -12.950 -0.075 0.516 1.00 0.00 H new ATOM 113 N LEU A 12 -10.390 2.214 1.328 1.00 0.00 N ATOM 114 CA LEU A 12 -9.106 2.178 2.018 1.00 0.00 C ATOM 115 C LEU A 12 -8.200 3.308 1.541 1.00 0.00 C ATOM 116 O LEU A 12 -7.175 3.601 2.159 1.00 0.00 O ATOM 117 CB LEU A 12 -8.420 0.829 1.793 1.00 0.00 C ATOM 118 CG LEU A 12 -8.746 -0.267 2.809 1.00 0.00 C ATOM 119 CD1 LEU A 12 -10.219 -0.638 2.739 1.00 0.00 C ATOM 120 CD2 LEU A 12 -7.874 -1.491 2.570 1.00 0.00 C ATOM 0 H LEU A 12 -10.612 1.366 0.806 1.00 0.00 H new ATOM 0 HA LEU A 12 -9.291 2.310 3.084 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -8.689 0.468 0.800 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -7.342 0.988 1.793 1.00 0.00 H new ATOM 0 HG LEU A 12 -8.536 0.115 3.808 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -10.433 -1.419 3.469 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -10.826 0.240 2.959 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -10.456 -1.001 1.739 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -8.119 -2.261 3.302 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -8.053 -1.875 1.566 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -6.824 -1.215 2.671 1.00 0.00 H new ATOM 132 N LEU A 13 -8.583 3.941 0.438 1.00 0.00 N ATOM 133 CA LEU A 13 -7.806 5.042 -0.123 1.00 0.00 C ATOM 134 C LEU A 13 -8.154 6.359 0.564 1.00 0.00 C ATOM 135 O LEU A 13 -7.323 7.261 0.653 1.00 0.00 O ATOM 136 CB LEU A 13 -8.058 5.155 -1.627 1.00 0.00 C ATOM 137 CG LEU A 13 -7.533 4.003 -2.485 1.00 0.00 C ATOM 138 CD1 LEU A 13 -6.019 4.076 -2.608 1.00 0.00 C ATOM 139 CD2 LEU A 13 -7.959 2.665 -1.898 1.00 0.00 C ATOM 0 H LEU A 13 -9.427 3.711 -0.086 1.00 0.00 H new ATOM 0 HA LEU A 13 -6.750 4.833 0.047 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -9.132 5.242 -1.789 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -7.606 6.081 -1.982 1.00 0.00 H new ATOM 0 HG LEU A 13 -7.962 4.093 -3.483 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -5.664 3.248 -3.222 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -5.737 5.020 -3.073 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -5.570 4.012 -1.617 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -7.577 1.856 -2.521 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -7.558 2.566 -0.889 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -9.047 2.613 -1.863 1.00 0.00 H new ATOM 151 N GLU A 14 -9.388 6.459 1.049 1.00 0.00 N ATOM 152 CA GLU A 14 -9.844 7.666 1.729 1.00 0.00 C ATOM 153 C GLU A 14 -8.764 8.207 2.661 1.00 0.00 C ATOM 154 O GLU A 14 -8.312 9.345 2.533 1.00 0.00 O ATOM 155 CB GLU A 14 -11.121 7.379 2.522 1.00 0.00 C ATOM 156 CG GLU A 14 -12.396 7.679 1.752 1.00 0.00 C ATOM 157 CD GLU A 14 -12.676 9.165 1.643 1.00 0.00 C ATOM 158 OE1 GLU A 14 -12.605 9.859 2.680 1.00 0.00 O ATOM 159 OE2 GLU A 14 -12.965 9.635 0.523 1.00 0.00 O ATOM 0 H GLU A 14 -10.088 5.720 0.984 1.00 0.00 H new ATOM 0 HA GLU A 14 -10.057 8.421 0.972 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -11.125 6.331 2.821 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -11.111 7.971 3.437 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -12.320 7.253 0.752 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -13.237 7.190 2.244 1.00 0.00 H new ATOM 166 N PRO A 15 -8.340 7.373 3.622 1.00 0.00 N ATOM 167 CA PRO A 15 -7.309 7.745 4.595 1.00 0.00 C ATOM 168 C PRO A 15 -5.929 7.869 3.957 1.00 0.00 C ATOM 169 O PRO A 15 -5.157 8.768 4.292 1.00 0.00 O ATOM 170 CB PRO A 15 -7.333 6.588 5.597 1.00 0.00 C ATOM 171 CG PRO A 15 -7.862 5.429 4.825 1.00 0.00 C ATOM 172 CD PRO A 15 -8.835 6.002 3.833 1.00 0.00 C ATOM 0 HA PRO A 15 -7.504 8.719 5.044 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -6.336 6.382 5.988 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -7.969 6.818 6.452 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -7.057 4.897 4.319 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -8.353 4.713 5.484 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -8.845 5.431 2.904 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -9.854 5.998 4.221 1.00 0.00 H new ATOM 180 N LEU A 16 -5.624 6.960 3.037 1.00 0.00 N ATOM 181 CA LEU A 16 -4.336 6.968 2.352 1.00 0.00 C ATOM 182 C LEU A 16 -4.260 8.113 1.347 1.00 0.00 C ATOM 183 O LEU A 16 -3.186 8.441 0.843 1.00 0.00 O ATOM 184 CB LEU A 16 -4.107 5.634 1.640 1.00 0.00 C ATOM 185 CG LEU A 16 -3.974 4.406 2.541 1.00 0.00 C ATOM 186 CD1 LEU A 16 -3.717 3.159 1.709 1.00 0.00 C ATOM 187 CD2 LEU A 16 -2.862 4.609 3.559 1.00 0.00 C ATOM 0 H LEU A 16 -6.251 6.209 2.748 1.00 0.00 H new ATOM 0 HA LEU A 16 -3.556 7.113 3.099 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -4.935 5.466 0.951 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.203 5.717 1.037 1.00 0.00 H new ATOM 0 HG LEU A 16 -4.912 4.271 3.080 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -3.625 2.295 2.367 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -4.547 3.004 1.020 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.794 3.283 1.143 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -2.782 3.725 4.192 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.918 4.770 3.039 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -3.089 5.478 4.177 1.00 0.00 H new ATOM 199 N LEU A 17 -5.407 8.719 1.062 1.00 0.00 N ATOM 200 CA LEU A 17 -5.472 9.831 0.119 1.00 0.00 C ATOM 201 C LEU A 17 -5.459 11.168 0.852 1.00 0.00 C ATOM 202 O LEU A 17 -4.703 12.073 0.500 1.00 0.00 O ATOM 203 CB LEU A 17 -6.730 9.721 -0.744 1.00 0.00 C ATOM 204 CG LEU A 17 -6.722 8.620 -1.805 1.00 0.00 C ATOM 205 CD1 LEU A 17 -8.096 8.486 -2.445 1.00 0.00 C ATOM 206 CD2 LEU A 17 -5.666 8.906 -2.862 1.00 0.00 C ATOM 0 H LEU A 17 -6.305 8.459 1.470 1.00 0.00 H new ATOM 0 HA LEU A 17 -4.593 9.782 -0.524 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -7.584 9.558 -0.087 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -6.889 10.677 -1.243 1.00 0.00 H new ATOM 0 HG LEU A 17 -6.476 7.676 -1.320 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -8.072 7.698 -3.198 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -8.831 8.235 -1.680 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -8.371 9.429 -2.916 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -5.675 8.112 -3.609 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -5.882 9.860 -3.344 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -4.684 8.951 -2.392 1.00 0.00 H new ATOM 218 N ALA A 18 -6.300 11.285 1.874 1.00 0.00 N ATOM 219 CA ALA A 18 -6.383 12.510 2.660 1.00 0.00 C ATOM 220 C ALA A 18 -5.064 12.796 3.372 1.00 0.00 C ATOM 221 O ALA A 18 -4.810 13.921 3.799 1.00 0.00 O ATOM 222 CB ALA A 18 -7.519 12.416 3.667 1.00 0.00 C ATOM 0 H ALA A 18 -6.934 10.546 2.177 1.00 0.00 H new ATOM 0 HA ALA A 18 -6.585 13.336 1.978 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -7.569 13.338 4.247 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -8.461 12.268 3.140 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -7.342 11.575 4.337 1.00 0.00 H new ATOM 228 N MET A 19 -4.230 11.769 3.496 1.00 0.00 N ATOM 229 CA MET A 19 -2.938 11.910 4.157 1.00 0.00 C ATOM 230 C MET A 19 -1.932 12.600 3.240 1.00 0.00 C ATOM 231 O MET A 19 -0.980 13.225 3.706 1.00 0.00 O ATOM 232 CB MET A 19 -2.404 10.540 4.579 1.00 0.00 C ATOM 233 CG MET A 19 -3.158 9.929 5.749 1.00 0.00 C ATOM 234 SD MET A 19 -2.451 10.383 7.345 1.00 0.00 S ATOM 235 CE MET A 19 -1.729 8.825 7.851 1.00 0.00 C ATOM 0 H MET A 19 -4.426 10.831 3.148 1.00 0.00 H new ATOM 0 HA MET A 19 -3.077 12.526 5.045 1.00 0.00 H new ATOM 0 HB2 MET A 19 -2.457 9.861 3.728 1.00 0.00 H new ATOM 0 HB3 MET A 19 -1.351 10.636 4.846 1.00 0.00 H new ATOM 0 HG2 MET A 19 -4.199 10.250 5.713 1.00 0.00 H new ATOM 0 HG3 MET A 19 -3.156 8.843 5.651 1.00 0.00 H new ATOM 0 HE1 MET A 19 -2.204 8.485 8.771 1.00 0.00 H new ATOM 0 HE2 MET A 19 -1.882 8.082 7.068 1.00 0.00 H new ATOM 0 HE3 MET A 19 -0.661 8.958 8.022 1.00 0.00 H new ATOM 245 N GLY A 20 -2.149 12.481 1.934 1.00 0.00 N ATOM 246 CA GLY A 20 -1.253 13.098 0.974 1.00 0.00 C ATOM 247 C GLY A 20 -0.835 12.143 -0.126 1.00 0.00 C ATOM 248 O GLY A 20 -0.593 12.557 -1.260 1.00 0.00 O ATOM 0 H GLY A 20 -2.929 11.968 1.524 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -1.742 13.966 0.531 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -0.365 13.462 1.492 1.00 0.00 H new ATOM 252 N PHE A 21 -0.749 10.859 0.208 1.00 0.00 N ATOM 253 CA PHE A 21 -0.354 9.842 -0.760 1.00 0.00 C ATOM 254 C PHE A 21 -1.383 9.730 -1.881 1.00 0.00 C ATOM 255 O PHE A 21 -2.592 9.791 -1.656 1.00 0.00 O ATOM 256 CB PHE A 21 -0.187 8.488 -0.068 1.00 0.00 C ATOM 257 CG PHE A 21 0.474 8.580 1.278 1.00 0.00 C ATOM 258 CD1 PHE A 21 1.855 8.608 1.386 1.00 0.00 C ATOM 259 CD2 PHE A 21 -0.286 8.639 2.435 1.00 0.00 C ATOM 260 CE1 PHE A 21 2.465 8.691 2.623 1.00 0.00 C ATOM 261 CE2 PHE A 21 0.318 8.723 3.675 1.00 0.00 C ATOM 262 CZ PHE A 21 1.696 8.750 3.769 1.00 0.00 C ATOM 0 H PHE A 21 -0.947 10.498 1.141 1.00 0.00 H new ATOM 0 HA PHE A 21 0.600 10.140 -1.195 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -1.167 8.025 0.048 1.00 0.00 H new ATOM 0 HB3 PHE A 21 0.402 7.832 -0.709 1.00 0.00 H new ATOM 0 HD1 PHE A 21 2.461 8.564 0.493 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -1.364 8.619 2.367 1.00 0.00 H new ATOM 0 HE1 PHE A 21 3.543 8.710 2.694 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -0.286 8.767 4.569 1.00 0.00 H new ATOM 0 HZ PHE A 21 2.171 8.817 4.737 1.00 0.00 H new ATOM 272 N PRO A 22 -0.894 9.561 -3.118 1.00 0.00 N ATOM 273 CA PRO A 22 -1.753 9.436 -4.299 1.00 0.00 C ATOM 274 C PRO A 22 -2.524 8.121 -4.319 1.00 0.00 C ATOM 275 O PRO A 22 -2.631 7.437 -3.301 1.00 0.00 O ATOM 276 CB PRO A 22 -0.763 9.494 -5.465 1.00 0.00 C ATOM 277 CG PRO A 22 0.527 9.019 -4.891 1.00 0.00 C ATOM 278 CD PRO A 22 0.536 9.478 -3.459 1.00 0.00 C ATOM 0 HA PRO A 22 -2.517 10.213 -4.331 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -1.086 8.860 -6.291 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -0.673 10.507 -5.857 1.00 0.00 H new ATOM 0 HG2 PRO A 22 0.606 7.934 -4.954 1.00 0.00 H new ATOM 0 HG3 PRO A 22 1.374 9.432 -5.439 1.00 0.00 H new ATOM 0 HD2 PRO A 22 1.062 8.774 -2.815 1.00 0.00 H new ATOM 0 HD3 PRO A 22 1.032 10.442 -3.349 1.00 0.00 H new ATOM 286 N VAL A 23 -3.059 7.771 -5.484 1.00 0.00 N ATOM 287 CA VAL A 23 -3.818 6.536 -5.637 1.00 0.00 C ATOM 288 C VAL A 23 -2.901 5.364 -5.971 1.00 0.00 C ATOM 289 O VAL A 23 -2.882 4.356 -5.264 1.00 0.00 O ATOM 290 CB VAL A 23 -4.887 6.667 -6.738 1.00 0.00 C ATOM 291 CG1 VAL A 23 -5.363 5.293 -7.187 1.00 0.00 C ATOM 292 CG2 VAL A 23 -6.054 7.512 -6.250 1.00 0.00 C ATOM 0 H VAL A 23 -2.981 8.326 -6.336 1.00 0.00 H new ATOM 0 HA VAL A 23 -4.310 6.347 -4.683 1.00 0.00 H new ATOM 0 HB VAL A 23 -4.440 7.168 -7.596 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -6.118 5.406 -7.965 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -4.519 4.726 -7.580 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -5.793 4.762 -6.338 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -6.800 7.594 -7.041 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -6.503 7.042 -5.375 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -5.697 8.507 -5.984 1.00 0.00 H new ATOM 302 N HIS A 24 -2.141 5.504 -7.052 1.00 0.00 N ATOM 303 CA HIS A 24 -1.220 4.457 -7.479 1.00 0.00 C ATOM 304 C HIS A 24 -0.334 4.007 -6.322 1.00 0.00 C ATOM 305 O HIS A 24 -0.009 2.826 -6.196 1.00 0.00 O ATOM 306 CB HIS A 24 -0.354 4.952 -8.638 1.00 0.00 C ATOM 307 CG HIS A 24 -0.096 6.427 -8.605 1.00 0.00 C ATOM 308 ND1 HIS A 24 -0.487 7.282 -9.613 1.00 0.00 N ATOM 309 CD2 HIS A 24 0.516 7.198 -7.676 1.00 0.00 C ATOM 310 CE1 HIS A 24 -0.125 8.515 -9.307 1.00 0.00 C ATOM 311 NE2 HIS A 24 0.486 8.492 -8.136 1.00 0.00 N ATOM 0 H HIS A 24 -2.145 6.332 -7.648 1.00 0.00 H new ATOM 0 HA HIS A 24 -1.809 3.604 -7.814 1.00 0.00 H new ATOM 0 HB2 HIS A 24 0.599 4.424 -8.620 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -0.841 4.698 -9.579 1.00 0.00 H new ATOM 0 HD2 HIS A 24 0.948 6.859 -6.746 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -0.299 9.393 -9.912 1.00 0.00 H new ATOM 0 HE2 HIS A 24 0.872 9.303 -7.652 1.00 0.00 H new ATOM 320 N THR A 25 0.055 4.957 -5.477 1.00 0.00 N ATOM 321 CA THR A 25 0.905 4.660 -4.331 1.00 0.00 C ATOM 322 C THR A 25 0.113 3.979 -3.221 1.00 0.00 C ATOM 323 O THR A 25 0.468 2.890 -2.770 1.00 0.00 O ATOM 324 CB THR A 25 1.560 5.936 -3.771 1.00 0.00 C ATOM 325 OG1 THR A 25 2.350 6.567 -4.784 1.00 0.00 O ATOM 326 CG2 THR A 25 2.433 5.613 -2.567 1.00 0.00 C ATOM 0 H THR A 25 -0.206 5.939 -5.565 1.00 0.00 H new ATOM 0 HA THR A 25 1.685 3.985 -4.683 1.00 0.00 H new ATOM 0 HB THR A 25 0.768 6.615 -3.454 1.00 0.00 H new ATOM 0 HG1 THR A 25 2.761 7.378 -4.420 1.00 0.00 H new ATOM 0 HG21 THR A 25 2.885 6.530 -2.189 1.00 0.00 H new ATOM 0 HG22 THR A 25 1.822 5.160 -1.786 1.00 0.00 H new ATOM 0 HG23 THR A 25 3.218 4.917 -2.863 1.00 0.00 H new ATOM 334 N ALA A 26 -0.962 4.628 -2.784 1.00 0.00 N ATOM 335 CA ALA A 26 -1.806 4.083 -1.728 1.00 0.00 C ATOM 336 C ALA A 26 -2.245 2.659 -2.055 1.00 0.00 C ATOM 337 O ALA A 26 -2.415 1.830 -1.160 1.00 0.00 O ATOM 338 CB ALA A 26 -3.020 4.974 -1.510 1.00 0.00 C ATOM 0 H ALA A 26 -1.268 5.531 -3.145 1.00 0.00 H new ATOM 0 HA ALA A 26 -1.221 4.053 -0.809 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -3.641 4.555 -0.719 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -2.691 5.973 -1.223 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -3.598 5.033 -2.432 1.00 0.00 H new ATOM 344 N LEU A 27 -2.427 2.383 -3.342 1.00 0.00 N ATOM 345 CA LEU A 27 -2.847 1.058 -3.787 1.00 0.00 C ATOM 346 C LEU A 27 -1.729 0.039 -3.593 1.00 0.00 C ATOM 347 O LEU A 27 -1.962 -1.071 -3.113 1.00 0.00 O ATOM 348 CB LEU A 27 -3.263 1.102 -5.258 1.00 0.00 C ATOM 349 CG LEU A 27 -4.495 1.948 -5.583 1.00 0.00 C ATOM 350 CD1 LEU A 27 -4.421 2.473 -7.008 1.00 0.00 C ATOM 351 CD2 LEU A 27 -5.767 1.139 -5.375 1.00 0.00 C ATOM 0 H LEU A 27 -2.291 3.058 -4.095 1.00 0.00 H new ATOM 0 HA LEU A 27 -3.701 0.752 -3.183 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -2.423 1.480 -5.841 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -3.449 0.082 -5.593 1.00 0.00 H new ATOM 0 HG LEU A 27 -4.516 2.801 -4.905 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -5.306 3.073 -7.221 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -3.529 3.089 -7.123 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -4.375 1.634 -7.703 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -6.634 1.757 -5.611 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -5.754 0.267 -6.028 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -5.825 0.813 -4.336 1.00 0.00 H new ATOM 363 N LYS A 28 -0.513 0.423 -3.967 1.00 0.00 N ATOM 364 CA LYS A 28 0.643 -0.455 -3.831 1.00 0.00 C ATOM 365 C LYS A 28 0.803 -0.924 -2.389 1.00 0.00 C ATOM 366 O LYS A 28 0.942 -2.119 -2.127 1.00 0.00 O ATOM 367 CB LYS A 28 1.913 0.265 -4.289 1.00 0.00 C ATOM 368 CG LYS A 28 2.220 0.077 -5.765 1.00 0.00 C ATOM 369 CD LYS A 28 3.405 0.924 -6.200 1.00 0.00 C ATOM 370 CE LYS A 28 2.962 2.298 -6.678 1.00 0.00 C ATOM 371 NZ LYS A 28 3.879 2.846 -7.716 1.00 0.00 N ATOM 0 H LYS A 28 -0.303 1.337 -4.367 1.00 0.00 H new ATOM 0 HA LYS A 28 0.481 -1.329 -4.462 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.812 1.330 -4.080 1.00 0.00 H new ATOM 0 HB3 LYS A 28 2.757 -0.096 -3.702 1.00 0.00 H new ATOM 0 HG2 LYS A 28 2.431 -0.974 -5.963 1.00 0.00 H new ATOM 0 HG3 LYS A 28 1.344 0.344 -6.357 1.00 0.00 H new ATOM 0 HD2 LYS A 28 4.100 1.034 -5.368 1.00 0.00 H new ATOM 0 HD3 LYS A 28 3.943 0.415 -7.000 1.00 0.00 H new ATOM 0 HE2 LYS A 28 1.952 2.234 -7.083 1.00 0.00 H new ATOM 0 HE3 LYS A 28 2.922 2.982 -5.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 3.543 3.783 -8.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 4.838 2.931 -7.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 3.897 2.206 -8.536 1.00 0.00 H new ATOM 385 N ALA A 29 0.783 0.023 -1.458 1.00 0.00 N ATOM 386 CA ALA A 29 0.922 -0.294 -0.042 1.00 0.00 C ATOM 387 C ALA A 29 -0.209 -1.199 0.432 1.00 0.00 C ATOM 388 O ALA A 29 0.011 -2.133 1.205 1.00 0.00 O ATOM 389 CB ALA A 29 0.960 0.984 0.784 1.00 0.00 C ATOM 0 H ALA A 29 0.672 1.017 -1.659 1.00 0.00 H new ATOM 0 HA ALA A 29 1.861 -0.830 0.094 1.00 0.00 H new ATOM 0 HB1 ALA A 29 1.064 0.732 1.839 1.00 0.00 H new ATOM 0 HB2 ALA A 29 1.807 1.594 0.471 1.00 0.00 H new ATOM 0 HB3 ALA A 29 0.036 1.542 0.634 1.00 0.00 H new ATOM 395 N LEU A 30 -1.421 -0.918 -0.034 1.00 0.00 N ATOM 396 CA LEU A 30 -2.588 -1.707 0.343 1.00 0.00 C ATOM 397 C LEU A 30 -2.426 -3.160 -0.090 1.00 0.00 C ATOM 398 O LEU A 30 -2.513 -4.075 0.728 1.00 0.00 O ATOM 399 CB LEU A 30 -3.853 -1.115 -0.282 1.00 0.00 C ATOM 400 CG LEU A 30 -4.384 0.166 0.363 1.00 0.00 C ATOM 401 CD1 LEU A 30 -5.465 0.791 -0.504 1.00 0.00 C ATOM 402 CD2 LEU A 30 -4.917 -0.122 1.759 1.00 0.00 C ATOM 0 H LEU A 30 -1.621 -0.149 -0.674 1.00 0.00 H new ATOM 0 HA LEU A 30 -2.679 -1.678 1.429 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.654 -0.913 -1.334 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -4.639 -1.869 -0.246 1.00 0.00 H new ATOM 0 HG LEU A 30 -3.561 0.876 0.449 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -5.831 1.701 -0.029 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -5.051 1.033 -1.483 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -6.289 0.087 -0.622 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -5.291 0.801 2.203 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -5.727 -0.849 1.696 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -4.116 -0.524 2.379 1.00 0.00 H new ATOM 414 N ALA A 31 -2.188 -3.365 -1.381 1.00 0.00 N ATOM 415 CA ALA A 31 -2.009 -4.706 -1.922 1.00 0.00 C ATOM 416 C ALA A 31 -0.839 -5.417 -1.251 1.00 0.00 C ATOM 417 O ALA A 31 -0.872 -6.631 -1.047 1.00 0.00 O ATOM 418 CB ALA A 31 -1.797 -4.644 -3.428 1.00 0.00 C ATOM 0 H ALA A 31 -2.115 -2.618 -2.072 1.00 0.00 H new ATOM 0 HA ALA A 31 -2.914 -5.277 -1.716 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -1.665 -5.653 -3.819 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -2.665 -4.184 -3.899 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -0.909 -4.051 -3.646 1.00 0.00 H new ATOM 424 N ALA A 32 0.194 -4.655 -0.910 1.00 0.00 N ATOM 425 CA ALA A 32 1.374 -5.212 -0.260 1.00 0.00 C ATOM 426 C ALA A 32 1.036 -5.742 1.130 1.00 0.00 C ATOM 427 O ALA A 32 1.201 -6.930 1.410 1.00 0.00 O ATOM 428 CB ALA A 32 2.474 -4.165 -0.175 1.00 0.00 C ATOM 0 H ALA A 32 0.238 -3.649 -1.073 1.00 0.00 H new ATOM 0 HA ALA A 32 1.730 -6.048 -0.862 1.00 0.00 H new ATOM 0 HB1 ALA A 32 3.349 -4.595 0.313 1.00 0.00 H new ATOM 0 HB2 ALA A 32 2.743 -3.837 -1.179 1.00 0.00 H new ATOM 0 HB3 ALA A 32 2.120 -3.311 0.403 1.00 0.00 H new ATOM 434 N THR A 33 0.564 -4.853 1.998 1.00 0.00 N ATOM 435 CA THR A 33 0.205 -5.230 3.359 1.00 0.00 C ATOM 436 C THR A 33 -0.826 -6.353 3.365 1.00 0.00 C ATOM 437 O THR A 33 -0.656 -7.362 4.047 1.00 0.00 O ATOM 438 CB THR A 33 -0.355 -4.030 4.146 1.00 0.00 C ATOM 439 OG1 THR A 33 -1.552 -3.552 3.523 1.00 0.00 O ATOM 440 CG2 THR A 33 0.668 -2.907 4.220 1.00 0.00 C ATOM 0 H THR A 33 0.421 -3.866 1.782 1.00 0.00 H new ATOM 0 HA THR A 33 1.119 -5.577 3.842 1.00 0.00 H new ATOM 0 HB THR A 33 -0.581 -4.361 5.160 1.00 0.00 H new ATOM 0 HG1 THR A 33 -1.320 -3.027 2.729 1.00 0.00 H new ATOM 0 HG21 THR A 33 0.250 -2.071 4.780 1.00 0.00 H new ATOM 0 HG22 THR A 33 1.567 -3.266 4.721 1.00 0.00 H new ATOM 0 HG23 THR A 33 0.921 -2.578 3.212 1.00 0.00 H new ATOM 448 N GLY A 34 -1.898 -6.170 2.599 1.00 0.00 N ATOM 449 CA GLY A 34 -2.941 -7.176 2.530 1.00 0.00 C ATOM 450 C GLY A 34 -4.329 -6.583 2.671 1.00 0.00 C ATOM 451 O GLY A 34 -5.186 -7.146 3.353 1.00 0.00 O ATOM 0 H GLY A 34 -2.062 -5.343 2.025 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -2.870 -7.704 1.579 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -2.783 -7.914 3.317 1.00 0.00 H new ATOM 455 N ARG A 35 -4.552 -5.443 2.026 1.00 0.00 N ATOM 456 CA ARG A 35 -5.844 -4.771 2.085 1.00 0.00 C ATOM 457 C ARG A 35 -6.476 -4.929 3.465 1.00 0.00 C ATOM 458 O ARG A 35 -7.668 -5.214 3.585 1.00 0.00 O ATOM 459 CB ARG A 35 -6.783 -5.332 1.015 1.00 0.00 C ATOM 460 CG ARG A 35 -6.390 -4.949 -0.402 1.00 0.00 C ATOM 461 CD ARG A 35 -6.832 -6.002 -1.407 1.00 0.00 C ATOM 462 NE ARG A 35 -6.184 -7.289 -1.171 1.00 0.00 N ATOM 463 CZ ARG A 35 -6.490 -8.398 -1.836 1.00 0.00 C ATOM 464 NH1 ARG A 35 -7.428 -8.377 -2.772 1.00 0.00 N ATOM 465 NH2 ARG A 35 -5.855 -9.532 -1.564 1.00 0.00 N ATOM 0 H ARG A 35 -3.854 -4.965 1.456 1.00 0.00 H new ATOM 0 HA ARG A 35 -5.683 -3.709 1.897 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -6.804 -6.419 1.096 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -7.795 -4.978 1.210 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -6.838 -3.989 -0.658 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -5.309 -4.821 -0.459 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -7.914 -6.125 -1.351 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -6.602 -5.660 -2.416 1.00 0.00 H new ATOM 0 HE ARG A 35 -5.457 -7.340 -0.457 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -7.918 -7.508 -2.984 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -7.660 -9.230 -3.280 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -5.132 -9.552 -0.845 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -6.090 -10.383 -2.075 1.00 0.00 H new ATOM 479 N LYS A 36 -5.670 -4.741 4.504 1.00 0.00 N ATOM 480 CA LYS A 36 -6.148 -4.861 5.876 1.00 0.00 C ATOM 481 C LYS A 36 -6.731 -3.539 6.366 1.00 0.00 C ATOM 482 O LYS A 36 -7.910 -3.459 6.715 1.00 0.00 O ATOM 483 CB LYS A 36 -5.009 -5.301 6.798 1.00 0.00 C ATOM 484 CG LYS A 36 -4.744 -6.797 6.766 1.00 0.00 C ATOM 485 CD LYS A 36 -5.655 -7.545 7.725 1.00 0.00 C ATOM 486 CE LYS A 36 -5.293 -7.261 9.174 1.00 0.00 C ATOM 487 NZ LYS A 36 -5.979 -8.193 10.111 1.00 0.00 N ATOM 0 H LYS A 36 -4.681 -4.505 4.422 1.00 0.00 H new ATOM 0 HA LYS A 36 -6.935 -5.615 5.896 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -4.099 -4.773 6.514 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -5.245 -5.004 7.820 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -4.893 -7.172 5.754 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -3.703 -6.989 7.027 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -6.690 -7.256 7.544 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -5.585 -8.616 7.535 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -4.214 -7.347 9.302 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -5.563 -6.234 9.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -5.706 -7.966 11.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -7.009 -8.093 10.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -5.702 -9.171 9.892 1.00 0.00 H new ATOM 501 N THR A 37 -5.899 -2.503 6.390 1.00 0.00 N ATOM 502 CA THR A 37 -6.332 -1.185 6.837 1.00 0.00 C ATOM 503 C THR A 37 -5.427 -0.091 6.280 1.00 0.00 C ATOM 504 O THR A 37 -4.470 -0.371 5.560 1.00 0.00 O ATOM 505 CB THR A 37 -6.347 -1.090 8.374 1.00 0.00 C ATOM 506 OG1 THR A 37 -7.089 0.063 8.786 1.00 0.00 O ATOM 507 CG2 THR A 37 -4.931 -1.012 8.925 1.00 0.00 C ATOM 0 H THR A 37 -4.921 -2.551 6.105 1.00 0.00 H new ATOM 0 HA THR A 37 -7.345 -1.041 6.462 1.00 0.00 H new ATOM 0 HB THR A 37 -6.824 -1.988 8.767 1.00 0.00 H new ATOM 0 HG1 THR A 37 -7.095 0.115 9.765 1.00 0.00 H new ATOM 0 HG21 THR A 37 -4.967 -0.946 10.012 1.00 0.00 H new ATOM 0 HG22 THR A 37 -4.378 -1.905 8.634 1.00 0.00 H new ATOM 0 HG23 THR A 37 -4.433 -0.130 8.524 1.00 0.00 H new ATOM 515 N ALA A 38 -5.737 1.156 6.620 1.00 0.00 N ATOM 516 CA ALA A 38 -4.950 2.292 6.156 1.00 0.00 C ATOM 517 C ALA A 38 -3.586 2.329 6.837 1.00 0.00 C ATOM 518 O ALA A 38 -2.555 2.437 6.174 1.00 0.00 O ATOM 519 CB ALA A 38 -5.701 3.591 6.404 1.00 0.00 C ATOM 0 H ALA A 38 -6.527 1.405 7.215 1.00 0.00 H new ATOM 0 HA ALA A 38 -4.789 2.177 5.084 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -5.101 4.431 6.053 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -6.649 3.572 5.866 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -5.892 3.703 7.471 1.00 0.00 H new ATOM 525 N GLU A 39 -3.589 2.239 8.163 1.00 0.00 N ATOM 526 CA GLU A 39 -2.350 2.264 8.932 1.00 0.00 C ATOM 527 C GLU A 39 -1.311 1.330 8.320 1.00 0.00 C ATOM 528 O GLU A 39 -0.215 1.757 7.957 1.00 0.00 O ATOM 529 CB GLU A 39 -2.618 1.866 10.385 1.00 0.00 C ATOM 530 CG GLU A 39 -1.358 1.539 11.169 1.00 0.00 C ATOM 531 CD GLU A 39 -1.655 0.896 12.510 1.00 0.00 C ATOM 532 OE1 GLU A 39 -2.622 0.110 12.590 1.00 0.00 O ATOM 533 OE2 GLU A 39 -0.920 1.180 13.479 1.00 0.00 O ATOM 0 H GLU A 39 -4.434 2.148 8.727 1.00 0.00 H new ATOM 0 HA GLU A 39 -1.957 3.281 8.908 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -3.146 2.679 10.884 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -3.280 1.000 10.400 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -0.732 0.869 10.580 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -0.786 2.453 11.327 1.00 0.00 H new ATOM 540 N GLU A 40 -1.663 0.053 8.211 1.00 0.00 N ATOM 541 CA GLU A 40 -0.760 -0.942 7.644 1.00 0.00 C ATOM 542 C GLU A 40 -0.032 -0.384 6.425 1.00 0.00 C ATOM 543 O GLU A 40 1.173 -0.580 6.265 1.00 0.00 O ATOM 544 CB GLU A 40 -1.534 -2.204 7.257 1.00 0.00 C ATOM 545 CG GLU A 40 -1.621 -3.231 8.373 1.00 0.00 C ATOM 546 CD GLU A 40 -2.698 -2.899 9.388 1.00 0.00 C ATOM 547 OE1 GLU A 40 -2.456 -2.020 10.242 1.00 0.00 O ATOM 548 OE2 GLU A 40 -3.780 -3.518 9.330 1.00 0.00 O ATOM 0 H GLU A 40 -2.566 -0.317 8.508 1.00 0.00 H new ATOM 0 HA GLU A 40 -0.020 -1.197 8.402 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -2.543 -1.923 6.954 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -1.057 -2.661 6.390 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -1.822 -4.213 7.944 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -0.658 -3.295 8.879 1.00 0.00 H new ATOM 555 N ALA A 41 -0.772 0.310 5.567 1.00 0.00 N ATOM 556 CA ALA A 41 -0.198 0.897 4.363 1.00 0.00 C ATOM 557 C ALA A 41 0.861 1.938 4.711 1.00 0.00 C ATOM 558 O ALA A 41 1.924 1.989 4.090 1.00 0.00 O ATOM 559 CB ALA A 41 -1.291 1.519 3.507 1.00 0.00 C ATOM 0 H ALA A 41 -1.771 0.480 5.684 1.00 0.00 H new ATOM 0 HA ALA A 41 0.285 0.102 3.795 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -0.848 1.954 2.611 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -2.010 0.751 3.221 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -1.799 2.298 4.075 1.00 0.00 H new ATOM 565 N LEU A 42 0.565 2.766 5.707 1.00 0.00 N ATOM 566 CA LEU A 42 1.492 3.807 6.137 1.00 0.00 C ATOM 567 C LEU A 42 2.841 3.210 6.522 1.00 0.00 C ATOM 568 O LEU A 42 3.889 3.809 6.280 1.00 0.00 O ATOM 569 CB LEU A 42 0.908 4.580 7.321 1.00 0.00 C ATOM 570 CG LEU A 42 0.041 5.790 6.971 1.00 0.00 C ATOM 571 CD1 LEU A 42 0.908 6.949 6.501 1.00 0.00 C ATOM 572 CD2 LEU A 42 -0.984 5.423 5.908 1.00 0.00 C ATOM 0 H LEU A 42 -0.309 2.737 6.232 1.00 0.00 H new ATOM 0 HA LEU A 42 1.643 4.491 5.302 1.00 0.00 H new ATOM 0 HB2 LEU A 42 0.311 3.892 7.920 1.00 0.00 H new ATOM 0 HB3 LEU A 42 1.731 4.918 7.950 1.00 0.00 H new ATOM 0 HG LEU A 42 -0.493 6.102 7.869 1.00 0.00 H new ATOM 0 HD11 LEU A 42 0.274 7.801 6.256 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.602 7.229 7.293 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.469 6.648 5.616 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -1.592 6.296 5.672 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.470 5.085 5.008 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -1.626 4.625 6.281 1.00 0.00 H new ATOM 584 N ALA A 43 2.809 2.024 7.120 1.00 0.00 N ATOM 585 CA ALA A 43 4.029 1.343 7.534 1.00 0.00 C ATOM 586 C ALA A 43 4.829 0.867 6.326 1.00 0.00 C ATOM 587 O ALA A 43 6.055 0.765 6.383 1.00 0.00 O ATOM 588 CB ALA A 43 3.696 0.169 8.444 1.00 0.00 C ATOM 0 H ALA A 43 1.950 1.514 7.329 1.00 0.00 H new ATOM 0 HA ALA A 43 4.643 2.054 8.087 1.00 0.00 H new ATOM 0 HB1 ALA A 43 4.617 -0.330 8.745 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.173 0.532 9.329 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.059 -0.536 7.910 1.00 0.00 H new ATOM 594 N TRP A 44 4.129 0.578 5.236 1.00 0.00 N ATOM 595 CA TRP A 44 4.775 0.113 4.014 1.00 0.00 C ATOM 596 C TRP A 44 5.270 1.288 3.178 1.00 0.00 C ATOM 597 O TRP A 44 6.214 1.154 2.398 1.00 0.00 O ATOM 598 CB TRP A 44 3.806 -0.740 3.193 1.00 0.00 C ATOM 599 CG TRP A 44 4.387 -1.218 1.896 1.00 0.00 C ATOM 600 CD1 TRP A 44 4.931 -2.445 1.644 1.00 0.00 C ATOM 601 CD2 TRP A 44 4.484 -0.475 0.676 1.00 0.00 C ATOM 602 NE1 TRP A 44 5.359 -2.510 0.341 1.00 0.00 N ATOM 603 CE2 TRP A 44 5.096 -1.315 -0.275 1.00 0.00 C ATOM 604 CE3 TRP A 44 4.111 0.816 0.293 1.00 0.00 C ATOM 605 CZ2 TRP A 44 5.343 -0.903 -1.582 1.00 0.00 C ATOM 606 CZ3 TRP A 44 4.357 1.223 -1.004 1.00 0.00 C ATOM 607 CH2 TRP A 44 4.968 0.366 -1.929 1.00 0.00 C ATOM 0 H TRP A 44 3.114 0.657 5.173 1.00 0.00 H new ATOM 0 HA TRP A 44 5.634 -0.495 4.296 1.00 0.00 H new ATOM 0 HB2 TRP A 44 3.501 -1.602 3.786 1.00 0.00 H new ATOM 0 HB3 TRP A 44 2.907 -0.160 2.988 1.00 0.00 H new ATOM 0 HD1 TRP A 44 5.013 -3.246 2.364 1.00 0.00 H new ATOM 0 HE1 TRP A 44 5.801 -3.318 -0.098 1.00 0.00 H new ATOM 0 HE3 TRP A 44 3.639 1.484 0.998 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 5.814 -1.562 -2.296 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 4.073 2.219 -1.310 1.00 0.00 H new ATOM 0 HH2 TRP A 44 5.146 0.714 -2.936 1.00 0.00 H new ATOM 618 N LEU A 45 4.629 2.439 3.346 1.00 0.00 N ATOM 619 CA LEU A 45 5.005 3.639 2.606 1.00 0.00 C ATOM 620 C LEU A 45 6.169 4.354 3.284 1.00 0.00 C ATOM 621 O LEU A 45 7.024 4.940 2.619 1.00 0.00 O ATOM 622 CB LEU A 45 3.809 4.586 2.489 1.00 0.00 C ATOM 623 CG LEU A 45 2.656 4.105 1.607 1.00 0.00 C ATOM 624 CD1 LEU A 45 1.368 4.827 1.972 1.00 0.00 C ATOM 625 CD2 LEU A 45 2.988 4.312 0.137 1.00 0.00 C ATOM 0 H LEU A 45 3.847 2.567 3.988 1.00 0.00 H new ATOM 0 HA LEU A 45 5.320 3.336 1.607 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.420 4.774 3.490 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.164 5.541 2.100 1.00 0.00 H new ATOM 0 HG LEU A 45 2.511 3.038 1.779 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.559 4.472 1.334 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.122 4.628 3.015 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.499 5.900 1.829 1.00 0.00 H new ATOM 0 HD21 LEU A 45 2.157 3.964 -0.476 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.160 5.372 -0.052 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.886 3.748 -0.116 1.00 0.00 H new ATOM 637 N HIS A 46 6.198 4.300 4.612 1.00 0.00 N ATOM 638 CA HIS A 46 7.260 4.940 5.380 1.00 0.00 C ATOM 639 C HIS A 46 8.572 4.176 5.234 1.00 0.00 C ATOM 640 O HIS A 46 9.649 4.719 5.486 1.00 0.00 O ATOM 641 CB HIS A 46 6.869 5.028 6.856 1.00 0.00 C ATOM 642 CG HIS A 46 6.088 6.260 7.197 1.00 0.00 C ATOM 643 ND1 HIS A 46 6.625 7.322 7.894 1.00 0.00 N ATOM 644 CD2 HIS A 46 4.804 6.597 6.930 1.00 0.00 C ATOM 645 CE1 HIS A 46 5.704 8.257 8.043 1.00 0.00 C ATOM 646 NE2 HIS A 46 4.591 7.842 7.467 1.00 0.00 N ATOM 0 H HIS A 46 5.499 3.820 5.178 1.00 0.00 H new ATOM 0 HA HIS A 46 7.401 5.947 4.989 1.00 0.00 H new ATOM 0 HB2 HIS A 46 6.280 4.150 7.120 1.00 0.00 H new ATOM 0 HB3 HIS A 46 7.773 5.001 7.465 1.00 0.00 H new ATOM 0 HD2 HIS A 46 4.082 5.998 6.395 1.00 0.00 H new ATOM 0 HE1 HIS A 46 5.839 9.201 8.550 1.00 0.00 H new ATOM 0 HE2 HIS A 46 3.715 8.362 7.427 1.00 0.00 H new ATOM 655 N ASP A 47 8.475 2.916 4.827 1.00 0.00 N ATOM 656 CA ASP A 47 9.655 2.077 4.647 1.00 0.00 C ATOM 657 C ASP A 47 10.074 2.036 3.181 1.00 0.00 C ATOM 658 O ASP A 47 11.252 1.865 2.866 1.00 0.00 O ATOM 659 CB ASP A 47 9.381 0.660 5.152 1.00 0.00 C ATOM 660 CG ASP A 47 10.632 -0.022 5.670 1.00 0.00 C ATOM 661 OD1 ASP A 47 11.348 -0.645 4.858 1.00 0.00 O ATOM 662 OD2 ASP A 47 10.895 0.067 6.887 1.00 0.00 O ATOM 0 H ASP A 47 7.592 2.452 4.615 1.00 0.00 H new ATOM 0 HA ASP A 47 10.470 2.510 5.227 1.00 0.00 H new ATOM 0 HB2 ASP A 47 8.636 0.698 5.947 1.00 0.00 H new ATOM 0 HB3 ASP A 47 8.955 0.066 4.344 1.00 0.00 H new ATOM 667 N HIS A 48 9.102 2.194 2.288 1.00 0.00 N ATOM 668 CA HIS A 48 9.370 2.175 0.855 1.00 0.00 C ATOM 669 C HIS A 48 9.768 3.561 0.358 1.00 0.00 C ATOM 670 O HIS A 48 10.804 3.727 -0.287 1.00 0.00 O ATOM 671 CB HIS A 48 8.142 1.679 0.091 1.00 0.00 C ATOM 672 CG HIS A 48 8.070 0.188 -0.024 1.00 0.00 C ATOM 673 ND1 HIS A 48 8.230 -0.484 -1.218 1.00 0.00 N ATOM 674 CD2 HIS A 48 7.855 -0.764 0.915 1.00 0.00 C ATOM 675 CE1 HIS A 48 8.115 -1.783 -1.009 1.00 0.00 C ATOM 676 NE2 HIS A 48 7.887 -1.979 0.277 1.00 0.00 N ATOM 0 H HIS A 48 8.122 2.337 2.532 1.00 0.00 H new ATOM 0 HA HIS A 48 10.200 1.492 0.675 1.00 0.00 H new ATOM 0 HB2 HIS A 48 7.243 2.040 0.591 1.00 0.00 H new ATOM 0 HB3 HIS A 48 8.147 2.112 -0.909 1.00 0.00 H new ATOM 0 HD2 HIS A 48 7.689 -0.598 1.969 1.00 0.00 H new ATOM 0 HE1 HIS A 48 8.194 -2.554 -1.762 1.00 0.00 H new ATOM 0 HE2 HIS A 48 7.756 -2.886 0.724 1.00 0.00 H new ATOM 685 N CYS A 49 8.938 4.553 0.660 1.00 0.00 N ATOM 686 CA CYS A 49 9.202 5.926 0.243 1.00 0.00 C ATOM 687 C CYS A 49 10.698 6.221 0.261 1.00 0.00 C ATOM 688 O CYS A 49 11.213 6.923 -0.609 1.00 0.00 O ATOM 689 CB CYS A 49 8.464 6.909 1.153 1.00 0.00 C ATOM 690 SG CYS A 49 9.142 7.016 2.826 1.00 0.00 S ATOM 0 H CYS A 49 8.076 4.433 1.192 1.00 0.00 H new ATOM 0 HA CYS A 49 8.839 6.046 -0.778 1.00 0.00 H new ATOM 0 HB2 CYS A 49 8.490 7.899 0.698 1.00 0.00 H new ATOM 0 HB3 CYS A 49 7.416 6.614 1.215 1.00 0.00 H new ATOM 0 HG CYS A 49 10.382 7.403 2.768 1.00 0.00 H new ATOM 696 N ASN A 50 11.390 5.681 1.259 1.00 0.00 N ATOM 697 CA ASN A 50 12.828 5.889 1.392 1.00 0.00 C ATOM 698 C ASN A 50 13.569 5.363 0.166 1.00 0.00 C ATOM 699 O ASN A 50 14.375 6.073 -0.436 1.00 0.00 O ATOM 700 CB ASN A 50 13.350 5.197 2.653 1.00 0.00 C ATOM 701 CG ASN A 50 14.758 5.631 3.009 1.00 0.00 C ATOM 702 OD1 ASN A 50 15.164 6.758 2.724 1.00 0.00 O ATOM 703 ND2 ASN A 50 15.513 4.735 3.635 1.00 0.00 N ATOM 0 H ASN A 50 10.979 5.097 1.987 1.00 0.00 H new ATOM 0 HA ASN A 50 13.009 6.961 1.472 1.00 0.00 H new ATOM 0 HB2 ASN A 50 12.683 5.416 3.487 1.00 0.00 H new ATOM 0 HB3 ASN A 50 13.332 4.117 2.506 1.00 0.00 H new ATOM 0 HD21 ASN A 50 16.470 4.970 3.899 1.00 0.00 H new ATOM 0 HD22 ASN A 50 15.136 3.812 3.852 1.00 0.00 H new ATOM 710 N ASP A 51 13.290 4.116 -0.197 1.00 0.00 N ATOM 711 CA ASP A 51 13.929 3.495 -1.352 1.00 0.00 C ATOM 712 C ASP A 51 14.063 4.491 -2.500 1.00 0.00 C ATOM 713 O ASP A 51 13.228 5.377 -2.686 1.00 0.00 O ATOM 714 CB ASP A 51 13.128 2.275 -1.810 1.00 0.00 C ATOM 715 CG ASP A 51 13.387 1.056 -0.947 1.00 0.00 C ATOM 716 OD1 ASP A 51 14.357 0.323 -1.230 1.00 0.00 O ATOM 717 OD2 ASP A 51 12.619 0.836 0.013 1.00 0.00 O ATOM 0 H ASP A 51 12.626 3.515 0.291 1.00 0.00 H new ATOM 0 HA ASP A 51 14.927 3.174 -1.055 1.00 0.00 H new ATOM 0 HB2 ASP A 51 12.065 2.513 -1.788 1.00 0.00 H new ATOM 0 HB3 ASP A 51 13.382 2.045 -2.845 1.00 0.00 H new ATOM 722 N PRO A 52 15.138 4.345 -3.288 1.00 0.00 N ATOM 723 CA PRO A 52 15.407 5.223 -4.430 1.00 0.00 C ATOM 724 C PRO A 52 14.420 5.008 -5.572 1.00 0.00 C ATOM 725 O PRO A 52 14.114 5.933 -6.324 1.00 0.00 O ATOM 726 CB PRO A 52 16.820 4.821 -4.862 1.00 0.00 C ATOM 727 CG PRO A 52 16.972 3.415 -4.394 1.00 0.00 C ATOM 728 CD PRO A 52 16.174 3.312 -3.124 1.00 0.00 C ATOM 0 HA PRO A 52 15.311 6.276 -4.166 1.00 0.00 H new ATOM 0 HB2 PRO A 52 16.939 4.894 -5.943 1.00 0.00 H new ATOM 0 HB3 PRO A 52 17.571 5.471 -4.414 1.00 0.00 H new ATOM 0 HG2 PRO A 52 16.606 2.713 -5.143 1.00 0.00 H new ATOM 0 HG3 PRO A 52 18.020 3.174 -4.217 1.00 0.00 H new ATOM 0 HD2 PRO A 52 15.737 2.321 -3.003 1.00 0.00 H new ATOM 0 HD3 PRO A 52 16.791 3.498 -2.245 1.00 0.00 H new ATOM 736 N SER A 53 13.923 3.781 -5.695 1.00 0.00 N ATOM 737 CA SER A 53 12.972 3.444 -6.748 1.00 0.00 C ATOM 738 C SER A 53 11.727 4.321 -6.657 1.00 0.00 C ATOM 739 O SER A 53 10.914 4.363 -7.581 1.00 0.00 O ATOM 740 CB SER A 53 12.577 1.968 -6.654 1.00 0.00 C ATOM 741 OG SER A 53 13.678 1.127 -6.951 1.00 0.00 O ATOM 0 H SER A 53 14.163 3.004 -5.079 1.00 0.00 H new ATOM 0 HA SER A 53 13.453 3.624 -7.709 1.00 0.00 H new ATOM 0 HB2 SER A 53 12.208 1.750 -5.652 1.00 0.00 H new ATOM 0 HB3 SER A 53 11.760 1.762 -7.346 1.00 0.00 H new ATOM 0 HG SER A 53 13.401 0.189 -6.883 1.00 0.00 H new ATOM 747 N LEU A 54 11.585 5.021 -5.537 1.00 0.00 N ATOM 748 CA LEU A 54 10.439 5.899 -5.323 1.00 0.00 C ATOM 749 C LEU A 54 10.892 7.333 -5.067 1.00 0.00 C ATOM 750 O LEU A 54 10.968 7.775 -3.921 1.00 0.00 O ATOM 751 CB LEU A 54 9.601 5.399 -4.145 1.00 0.00 C ATOM 752 CG LEU A 54 9.104 3.956 -4.240 1.00 0.00 C ATOM 753 CD1 LEU A 54 8.812 3.400 -2.855 1.00 0.00 C ATOM 754 CD2 LEU A 54 7.865 3.876 -5.120 1.00 0.00 C ATOM 0 H LEU A 54 12.249 4.998 -4.763 1.00 0.00 H new ATOM 0 HA LEU A 54 9.829 5.886 -6.226 1.00 0.00 H new ATOM 0 HB2 LEU A 54 10.193 5.499 -3.235 1.00 0.00 H new ATOM 0 HB3 LEU A 54 8.736 6.054 -4.036 1.00 0.00 H new ATOM 0 HG LEU A 54 9.888 3.351 -4.694 1.00 0.00 H new ATOM 0 HD11 LEU A 54 8.459 2.372 -2.942 1.00 0.00 H new ATOM 0 HD12 LEU A 54 9.722 3.422 -2.255 1.00 0.00 H new ATOM 0 HD13 LEU A 54 8.045 4.007 -2.374 1.00 0.00 H new ATOM 0 HD21 LEU A 54 7.525 2.842 -5.176 1.00 0.00 H new ATOM 0 HD22 LEU A 54 7.075 4.495 -4.694 1.00 0.00 H new ATOM 0 HD23 LEU A 54 8.106 4.234 -6.121 1.00 0.00 H new ATOM 766 N ASP A 55 11.190 8.054 -6.142 1.00 0.00 N ATOM 767 CA ASP A 55 11.633 9.439 -6.035 1.00 0.00 C ATOM 768 C ASP A 55 10.928 10.147 -4.881 1.00 0.00 C ATOM 769 O ASP A 55 11.573 10.748 -4.022 1.00 0.00 O ATOM 770 CB ASP A 55 11.368 10.184 -7.344 1.00 0.00 C ATOM 771 CG ASP A 55 11.957 11.582 -7.344 1.00 0.00 C ATOM 772 OD1 ASP A 55 13.138 11.728 -7.724 1.00 0.00 O ATOM 773 OD2 ASP A 55 11.237 12.528 -6.966 1.00 0.00 O ATOM 0 H ASP A 55 11.133 7.702 -7.098 1.00 0.00 H new ATOM 0 HA ASP A 55 12.705 9.438 -5.837 1.00 0.00 H new ATOM 0 HB2 ASP A 55 11.788 9.616 -8.174 1.00 0.00 H new ATOM 0 HB3 ASP A 55 10.293 10.246 -7.512 1.00 0.00 H new ATOM 778 N ASP A 56 9.602 10.071 -4.870 1.00 0.00 N ATOM 779 CA ASP A 56 8.810 10.704 -3.822 1.00 0.00 C ATOM 780 C ASP A 56 7.381 10.170 -3.823 1.00 0.00 C ATOM 781 O ASP A 56 6.802 9.879 -4.870 1.00 0.00 O ATOM 782 CB ASP A 56 8.800 12.223 -4.007 1.00 0.00 C ATOM 783 CG ASP A 56 8.084 12.646 -5.275 1.00 0.00 C ATOM 784 OD1 ASP A 56 8.252 11.964 -6.307 1.00 0.00 O ATOM 785 OD2 ASP A 56 7.356 13.661 -5.235 1.00 0.00 O ATOM 0 H ASP A 56 9.053 9.578 -5.574 1.00 0.00 H new ATOM 0 HA ASP A 56 9.267 10.466 -2.862 1.00 0.00 H new ATOM 0 HB2 ASP A 56 8.317 12.688 -3.148 1.00 0.00 H new ATOM 0 HB3 ASP A 56 9.826 12.590 -4.033 1.00 0.00 H new ATOM 790 N PRO A 57 6.798 10.036 -2.622 1.00 0.00 N ATOM 791 CA PRO A 57 5.430 9.535 -2.458 1.00 0.00 C ATOM 792 C PRO A 57 4.386 10.524 -2.964 1.00 0.00 C ATOM 793 O PRO A 57 3.504 10.165 -3.744 1.00 0.00 O ATOM 794 CB PRO A 57 5.300 9.347 -0.945 1.00 0.00 C ATOM 795 CG PRO A 57 6.285 10.299 -0.359 1.00 0.00 C ATOM 796 CD PRO A 57 7.429 10.363 -1.333 1.00 0.00 C ATOM 0 HA PRO A 57 5.258 8.624 -3.031 1.00 0.00 H new ATOM 0 HB2 PRO A 57 4.288 9.565 -0.604 1.00 0.00 H new ATOM 0 HB3 PRO A 57 5.520 8.320 -0.653 1.00 0.00 H new ATOM 0 HG2 PRO A 57 5.839 11.283 -0.216 1.00 0.00 H new ATOM 0 HG3 PRO A 57 6.624 9.957 0.619 1.00 0.00 H new ATOM 0 HD2 PRO A 57 7.888 11.352 -1.350 1.00 0.00 H new ATOM 0 HD3 PRO A 57 8.214 9.651 -1.078 1.00 0.00 H new ATOM 804 N ILE A 58 4.492 11.770 -2.514 1.00 0.00 N ATOM 805 CA ILE A 58 3.557 12.811 -2.923 1.00 0.00 C ATOM 806 C ILE A 58 3.812 13.244 -4.363 1.00 0.00 C ATOM 807 O ILE A 58 4.927 13.623 -4.720 1.00 0.00 O ATOM 808 CB ILE A 58 3.650 14.044 -2.004 1.00 0.00 C ATOM 809 CG1 ILE A 58 3.530 13.624 -0.538 1.00 0.00 C ATOM 810 CG2 ILE A 58 2.570 15.054 -2.362 1.00 0.00 C ATOM 811 CD1 ILE A 58 2.148 13.137 -0.160 1.00 0.00 C ATOM 0 H ILE A 58 5.215 12.083 -1.867 1.00 0.00 H new ATOM 0 HA ILE A 58 2.557 12.385 -2.846 1.00 0.00 H new ATOM 0 HB ILE A 58 4.622 14.515 -2.149 1.00 0.00 H new ATOM 0 HG12 ILE A 58 4.253 12.834 -0.334 1.00 0.00 H new ATOM 0 HG13 ILE A 58 3.795 14.470 0.097 1.00 0.00 H new ATOM 0 HG21 ILE A 58 2.649 15.919 -1.704 1.00 0.00 H new ATOM 0 HG22 ILE A 58 2.698 15.372 -3.397 1.00 0.00 H new ATOM 0 HG23 ILE A 58 1.589 14.595 -2.242 1.00 0.00 H new ATOM 0 HD11 ILE A 58 2.137 12.856 0.893 1.00 0.00 H new ATOM 0 HD12 ILE A 58 1.422 13.932 -0.331 1.00 0.00 H new ATOM 0 HD13 ILE A 58 1.888 12.271 -0.769 1.00 0.00 H new ATOM 823 N SER A 59 2.769 13.188 -5.185 1.00 0.00 N ATOM 824 CA SER A 59 2.880 13.572 -6.587 1.00 0.00 C ATOM 825 C SER A 59 2.089 14.847 -6.865 1.00 0.00 C ATOM 826 O SER A 59 1.545 15.029 -7.953 1.00 0.00 O ATOM 827 CB SER A 59 2.380 12.442 -7.489 1.00 0.00 C ATOM 828 OG SER A 59 3.382 11.458 -7.677 1.00 0.00 O ATOM 0 H SER A 59 1.838 12.880 -4.904 1.00 0.00 H new ATOM 0 HA SER A 59 3.931 13.762 -6.804 1.00 0.00 H new ATOM 0 HB2 SER A 59 1.495 11.984 -7.047 1.00 0.00 H new ATOM 0 HB3 SER A 59 2.080 12.849 -8.455 1.00 0.00 H new ATOM 0 HG SER A 59 3.037 10.746 -8.256 1.00 0.00 H new ATOM 834 N GLY A 60 2.030 15.728 -5.871 1.00 0.00 N ATOM 835 CA GLY A 60 1.304 16.975 -6.026 1.00 0.00 C ATOM 836 C GLY A 60 1.686 18.003 -4.979 1.00 0.00 C ATOM 837 O GLY A 60 1.018 18.156 -3.956 1.00 0.00 O ATOM 0 H GLY A 60 2.472 15.600 -4.961 1.00 0.00 H new ATOM 0 HA2 GLY A 60 1.497 17.383 -7.018 1.00 0.00 H new ATOM 0 HA3 GLY A 60 0.234 16.779 -5.964 1.00 0.00 H new ATOM 841 N PRO A 61 2.786 18.728 -5.230 1.00 0.00 N ATOM 842 CA PRO A 61 3.281 19.758 -4.312 1.00 0.00 C ATOM 843 C PRO A 61 2.368 20.979 -4.263 1.00 0.00 C ATOM 844 O PRO A 61 2.453 21.863 -5.115 1.00 0.00 O ATOM 845 CB PRO A 61 4.644 20.132 -4.900 1.00 0.00 C ATOM 846 CG PRO A 61 4.537 19.797 -6.347 1.00 0.00 C ATOM 847 CD PRO A 61 3.631 18.599 -6.429 1.00 0.00 C ATOM 0 HA PRO A 61 3.329 19.399 -3.284 1.00 0.00 H new ATOM 0 HB2 PRO A 61 4.861 21.190 -4.754 1.00 0.00 H new ATOM 0 HB3 PRO A 61 5.448 19.572 -4.422 1.00 0.00 H new ATOM 0 HG2 PRO A 61 4.128 20.635 -6.912 1.00 0.00 H new ATOM 0 HG3 PRO A 61 5.517 19.575 -6.770 1.00 0.00 H new ATOM 0 HD2 PRO A 61 3.036 18.607 -7.342 1.00 0.00 H new ATOM 0 HD3 PRO A 61 4.196 17.667 -6.424 1.00 0.00 H new ATOM 855 N SER A 62 1.496 21.020 -3.261 1.00 0.00 N ATOM 856 CA SER A 62 0.565 22.131 -3.104 1.00 0.00 C ATOM 857 C SER A 62 0.337 22.445 -1.628 1.00 0.00 C ATOM 858 O SER A 62 0.490 21.578 -0.767 1.00 0.00 O ATOM 859 CB SER A 62 -0.769 21.806 -3.779 1.00 0.00 C ATOM 860 OG SER A 62 -1.646 22.918 -3.738 1.00 0.00 O ATOM 0 H SER A 62 1.415 20.297 -2.546 1.00 0.00 H new ATOM 0 HA SER A 62 1.002 23.008 -3.581 1.00 0.00 H new ATOM 0 HB2 SER A 62 -0.594 21.515 -4.815 1.00 0.00 H new ATOM 0 HB3 SER A 62 -1.233 20.954 -3.282 1.00 0.00 H new ATOM 0 HG SER A 62 -2.490 22.685 -4.177 1.00 0.00 H new ATOM 866 N SER A 63 -0.029 23.691 -1.344 1.00 0.00 N ATOM 867 CA SER A 63 -0.274 24.121 0.027 1.00 0.00 C ATOM 868 C SER A 63 -1.753 24.425 0.245 1.00 0.00 C ATOM 869 O SER A 63 -2.293 25.374 -0.322 1.00 0.00 O ATOM 870 CB SER A 63 0.566 25.358 0.354 1.00 0.00 C ATOM 871 OG SER A 63 0.392 25.750 1.704 1.00 0.00 O ATOM 0 H SER A 63 -0.162 24.420 -2.045 1.00 0.00 H new ATOM 0 HA SER A 63 0.014 23.308 0.693 1.00 0.00 H new ATOM 0 HB2 SER A 63 1.619 25.147 0.166 1.00 0.00 H new ATOM 0 HB3 SER A 63 0.283 26.178 -0.306 1.00 0.00 H new ATOM 0 HG SER A 63 0.940 26.541 1.888 1.00 0.00 H new ATOM 877 N GLY A 64 -2.402 23.612 1.073 1.00 0.00 N ATOM 878 CA GLY A 64 -3.813 23.809 1.352 1.00 0.00 C ATOM 879 C GLY A 64 -4.489 22.545 1.843 1.00 0.00 C ATOM 880 O GLY A 64 -3.822 21.601 2.268 1.00 0.00 O ATOM 0 H GLY A 64 -1.976 22.821 1.556 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -3.926 24.592 2.101 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -4.314 24.158 0.449 1.00 0.00 H new TER 884 GLY A 64