USER MOD reduce.3.24.130724 H: found=0, std=0, add=615, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 614 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 SER N :NH3+ 165:sc= 1.05 (180deg=0.911) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 17:sc= 1.26 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= 0.248 K(o=0.25,f=-3!) USER MOD Single : A 23 HIS : no HD1:sc= -0.0161 X(o=-0.016,f=-0.064) USER MOD Single : A 29 GLN : amide:sc= 0.719 K(o=0.72,f=0) USER MOD Single : A 33 TYR OH : rot -163:sc= 0.476 USER MOD Single : A 35 THR OG1 : rot -68:sc= 0.278 USER MOD Single : A 37 ASN : amide:sc= 0.786 K(o=0.79,f=-0.12) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 CYS SG : rot 180:sc= -1.57 USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 61 MET CE :methyl 177:sc= 0 (180deg=-0.00952) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 161:sc= 1.26 (180deg=1.11) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -6.644 38.412 -64.326 1.00 0.00 N ATOM 2 CA SER A 1 -7.159 39.643 -63.680 1.00 0.00 C ATOM 3 C SER A 1 -7.137 39.507 -62.154 1.00 0.00 C ATOM 4 O SER A 1 -6.723 38.475 -61.621 1.00 0.00 O ATOM 5 CB SER A 1 -8.574 39.961 -64.182 1.00 0.00 C ATOM 6 OG SER A 1 -9.495 38.997 -63.700 1.00 0.00 O ATOM 0 H1 SER A 1 -6.898 38.417 -65.335 1.00 0.00 H new ATOM 0 H2 SER A 1 -5.609 38.376 -64.230 1.00 0.00 H new ATOM 0 H3 SER A 1 -7.063 37.578 -63.868 1.00 0.00 H new ATOM 0 HA SER A 1 -6.506 40.473 -63.952 1.00 0.00 H new ATOM 0 HB2 SER A 1 -8.870 40.956 -63.849 1.00 0.00 H new ATOM 0 HB3 SER A 1 -8.587 39.973 -65.272 1.00 0.00 H new ATOM 0 HG SER A 1 -10.394 39.212 -64.026 1.00 0.00 H new ATOM 14 N MET A 2 -7.605 40.521 -61.412 1.00 0.00 N ATOM 15 CA MET A 2 -7.703 40.468 -59.939 1.00 0.00 C ATOM 16 C MET A 2 -8.692 39.399 -59.427 1.00 0.00 C ATOM 17 O MET A 2 -8.599 38.983 -58.272 1.00 0.00 O ATOM 18 CB MET A 2 -8.070 41.851 -59.378 1.00 0.00 C ATOM 19 CG MET A 2 -7.024 42.920 -59.716 1.00 0.00 C ATOM 20 SD MET A 2 -7.318 44.518 -58.909 1.00 0.00 S ATOM 21 CE MET A 2 -5.966 45.478 -59.645 1.00 0.00 C ATOM 0 H MET A 2 -7.927 41.402 -61.812 1.00 0.00 H new ATOM 0 HA MET A 2 -6.719 40.174 -59.575 1.00 0.00 H new ATOM 0 HB2 MET A 2 -9.038 42.156 -59.777 1.00 0.00 H new ATOM 0 HB3 MET A 2 -8.178 41.783 -58.296 1.00 0.00 H new ATOM 0 HG2 MET A 2 -6.039 42.554 -59.427 1.00 0.00 H new ATOM 0 HG3 MET A 2 -7.005 43.067 -60.796 1.00 0.00 H new ATOM 0 HE1 MET A 2 -5.992 46.497 -59.260 1.00 0.00 H new ATOM 0 HE2 MET A 2 -5.012 45.017 -59.390 1.00 0.00 H new ATOM 0 HE3 MET A 2 -6.081 45.497 -60.729 1.00 0.00 H new ATOM 31 N ALA A 3 -9.594 38.896 -60.280 1.00 0.00 N ATOM 32 CA ALA A 3 -10.502 37.790 -59.956 1.00 0.00 C ATOM 33 C ALA A 3 -9.795 36.418 -59.831 1.00 0.00 C ATOM 34 O ALA A 3 -10.374 35.479 -59.281 1.00 0.00 O ATOM 35 CB ALA A 3 -11.610 37.758 -61.016 1.00 0.00 C ATOM 0 H ALA A 3 -9.714 39.252 -61.228 1.00 0.00 H new ATOM 0 HA ALA A 3 -10.922 37.972 -58.967 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -12.300 36.943 -60.797 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -12.151 38.704 -61.005 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -11.168 37.605 -62.000 1.00 0.00 H new ATOM 41 N ASP A 4 -8.547 36.291 -60.303 1.00 0.00 N ATOM 42 CA ASP A 4 -7.732 35.069 -60.189 1.00 0.00 C ATOM 43 C ASP A 4 -6.966 34.958 -58.849 1.00 0.00 C ATOM 44 O ASP A 4 -6.298 33.950 -58.597 1.00 0.00 O ATOM 45 CB ASP A 4 -6.772 34.974 -61.386 1.00 0.00 C ATOM 46 CG ASP A 4 -7.511 34.861 -62.730 1.00 0.00 C ATOM 47 OD1 ASP A 4 -8.165 33.820 -62.979 1.00 0.00 O ATOM 48 OD2 ASP A 4 -7.418 35.805 -63.553 1.00 0.00 O ATOM 0 H ASP A 4 -8.064 37.049 -60.785 1.00 0.00 H new ATOM 0 HA ASP A 4 -8.420 34.224 -60.201 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -6.129 35.854 -61.402 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -6.123 34.108 -61.259 1.00 0.00 H new ATOM 53 N ARG A 5 -7.054 35.976 -57.978 1.00 0.00 N ATOM 54 CA ARG A 5 -6.418 36.005 -56.646 1.00 0.00 C ATOM 55 C ARG A 5 -7.044 34.991 -55.676 1.00 0.00 C ATOM 56 O ARG A 5 -8.231 34.666 -55.771 1.00 0.00 O ATOM 57 CB ARG A 5 -6.484 37.429 -56.061 1.00 0.00 C ATOM 58 CG ARG A 5 -5.611 38.430 -56.836 1.00 0.00 C ATOM 59 CD ARG A 5 -5.801 39.847 -56.282 1.00 0.00 C ATOM 60 NE ARG A 5 -4.903 40.815 -56.945 1.00 0.00 N ATOM 61 CZ ARG A 5 -4.865 42.120 -56.738 1.00 0.00 C ATOM 62 NH1 ARG A 5 -5.693 42.718 -55.928 1.00 0.00 N ATOM 63 NH2 ARG A 5 -3.985 42.858 -57.350 1.00 0.00 N ATOM 0 H ARG A 5 -7.582 36.824 -58.183 1.00 0.00 H new ATOM 0 HA ARG A 5 -5.375 35.715 -56.775 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -7.518 37.773 -56.069 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -6.164 37.405 -55.019 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -4.563 38.141 -56.762 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -5.873 38.408 -57.894 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -6.837 40.157 -56.421 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -5.609 39.848 -55.209 1.00 0.00 H new ATOM 0 HE ARG A 5 -4.248 40.439 -57.630 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -6.399 42.177 -55.430 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -5.634 43.727 -55.793 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -3.319 42.430 -57.994 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -3.961 43.864 -57.186 1.00 0.00 H new ATOM 77 N VAL A 6 -6.247 34.520 -54.714 1.00 0.00 N ATOM 78 CA VAL A 6 -6.658 33.591 -53.654 1.00 0.00 C ATOM 79 C VAL A 6 -7.390 34.315 -52.520 1.00 0.00 C ATOM 80 O VAL A 6 -7.117 35.475 -52.206 1.00 0.00 O ATOM 81 CB VAL A 6 -5.472 32.762 -53.115 1.00 0.00 C ATOM 82 CG1 VAL A 6 -4.946 31.806 -54.191 1.00 0.00 C ATOM 83 CG2 VAL A 6 -4.302 33.616 -52.605 1.00 0.00 C ATOM 0 H VAL A 6 -5.264 34.783 -54.648 1.00 0.00 H new ATOM 0 HA VAL A 6 -7.360 32.891 -54.107 1.00 0.00 H new ATOM 0 HB VAL A 6 -5.870 32.208 -52.265 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -4.111 31.232 -53.790 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -5.742 31.126 -54.494 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -4.611 32.380 -55.055 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -3.507 32.964 -52.242 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -3.922 34.235 -53.418 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -4.646 34.256 -51.792 1.00 0.00 H new ATOM 93 N LEU A 7 -8.328 33.598 -51.902 1.00 0.00 N ATOM 94 CA LEU A 7 -9.208 34.098 -50.831 1.00 0.00 C ATOM 95 C LEU A 7 -8.646 33.885 -49.410 1.00 0.00 C ATOM 96 O LEU A 7 -9.211 34.404 -48.443 1.00 0.00 O ATOM 97 CB LEU A 7 -10.606 33.460 -50.984 1.00 0.00 C ATOM 98 CG LEU A 7 -11.318 33.737 -52.324 1.00 0.00 C ATOM 99 CD1 LEU A 7 -12.682 33.044 -52.329 1.00 0.00 C ATOM 100 CD2 LEU A 7 -11.542 35.229 -52.580 1.00 0.00 C ATOM 0 H LEU A 7 -8.507 32.621 -52.136 1.00 0.00 H new ATOM 0 HA LEU A 7 -9.276 35.180 -50.947 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -10.510 32.381 -50.860 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -11.241 33.819 -50.174 1.00 0.00 H new ATOM 0 HG LEU A 7 -10.669 33.351 -53.110 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -13.186 33.239 -53.276 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -12.545 31.970 -52.206 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -13.289 33.429 -51.509 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -12.047 35.362 -53.537 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -12.158 35.646 -51.784 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -10.581 35.743 -52.602 1.00 0.00 H new ATOM 112 N ARG A 8 -7.564 33.109 -49.261 1.00 0.00 N ATOM 113 CA ARG A 8 -6.815 32.885 -48.007 1.00 0.00 C ATOM 114 C ARG A 8 -5.302 32.916 -48.266 1.00 0.00 C ATOM 115 O ARG A 8 -4.849 32.628 -49.376 1.00 0.00 O ATOM 116 CB ARG A 8 -7.222 31.557 -47.330 1.00 0.00 C ATOM 117 CG ARG A 8 -8.595 31.573 -46.630 1.00 0.00 C ATOM 118 CD ARG A 8 -9.769 31.187 -47.541 1.00 0.00 C ATOM 119 NE ARG A 8 -11.056 31.231 -46.820 1.00 0.00 N ATOM 120 CZ ARG A 8 -11.800 32.294 -46.561 1.00 0.00 C ATOM 121 NH1 ARG A 8 -11.458 33.503 -46.910 1.00 0.00 N ATOM 122 NH2 ARG A 8 -12.928 32.159 -45.924 1.00 0.00 N ATOM 0 H ARG A 8 -7.165 32.594 -50.046 1.00 0.00 H new ATOM 0 HA ARG A 8 -7.069 33.696 -47.324 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -7.225 30.769 -48.083 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -6.461 31.293 -46.596 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -8.567 30.888 -45.783 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -8.774 32.570 -46.228 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -9.806 31.865 -48.394 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -9.608 30.184 -47.937 1.00 0.00 H new ATOM 0 HE ARG A 8 -11.414 30.338 -46.482 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -10.581 33.662 -47.406 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -12.067 34.290 -46.687 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -13.237 31.234 -45.625 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -13.502 32.978 -45.724 1.00 0.00 H new ATOM 136 N GLY A 9 -4.528 33.257 -47.236 1.00 0.00 N ATOM 137 CA GLY A 9 -3.058 33.335 -47.269 1.00 0.00 C ATOM 138 C GLY A 9 -2.477 34.251 -46.182 1.00 0.00 C ATOM 139 O GLY A 9 -1.404 33.977 -45.640 1.00 0.00 O ATOM 0 H GLY A 9 -4.915 33.496 -46.323 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -2.645 32.333 -47.150 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -2.742 33.697 -48.247 1.00 0.00 H new ATOM 143 N SER A 10 -3.219 35.299 -45.810 1.00 0.00 N ATOM 144 CA SER A 10 -2.996 36.118 -44.609 1.00 0.00 C ATOM 145 C SER A 10 -3.472 35.411 -43.326 1.00 0.00 C ATOM 146 O SER A 10 -4.159 34.384 -43.380 1.00 0.00 O ATOM 147 CB SER A 10 -3.690 37.478 -44.786 1.00 0.00 C ATOM 148 OG SER A 10 -5.072 37.310 -45.072 1.00 0.00 O ATOM 0 H SER A 10 -4.021 35.614 -46.355 1.00 0.00 H new ATOM 0 HA SER A 10 -1.923 36.272 -44.493 1.00 0.00 H new ATOM 0 HB2 SER A 10 -3.572 38.071 -43.879 1.00 0.00 H new ATOM 0 HB3 SER A 10 -3.212 38.032 -45.594 1.00 0.00 H new ATOM 0 HG SER A 10 -5.493 38.188 -45.179 1.00 0.00 H new ATOM 154 N ARG A 11 -3.101 35.950 -42.153 1.00 0.00 N ATOM 155 CA ARG A 11 -3.481 35.411 -40.833 1.00 0.00 C ATOM 156 C ARG A 11 -5.007 35.407 -40.641 1.00 0.00 C ATOM 157 O ARG A 11 -5.682 36.395 -40.940 1.00 0.00 O ATOM 158 CB ARG A 11 -2.752 36.210 -39.732 1.00 0.00 C ATOM 159 CG ARG A 11 -2.976 35.697 -38.295 1.00 0.00 C ATOM 160 CD ARG A 11 -2.307 34.347 -37.993 1.00 0.00 C ATOM 161 NE ARG A 11 -0.834 34.417 -38.081 1.00 0.00 N ATOM 162 CZ ARG A 11 0.013 33.408 -37.970 1.00 0.00 C ATOM 163 NH1 ARG A 11 -0.387 32.185 -37.755 1.00 0.00 N ATOM 164 NH2 ARG A 11 1.295 33.610 -38.074 1.00 0.00 N ATOM 0 H ARG A 11 -2.519 36.786 -42.092 1.00 0.00 H new ATOM 0 HA ARG A 11 -3.170 34.368 -40.766 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -1.683 36.198 -39.943 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -3.075 37.250 -39.785 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -2.599 36.441 -37.593 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -4.048 35.606 -38.117 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -2.593 34.018 -36.994 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -2.675 33.597 -38.693 1.00 0.00 H new ATOM 0 HE ARG A 11 -0.429 35.339 -38.244 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -1.383 31.982 -37.667 1.00 0.00 H new ATOM 0 HH12 ARG A 11 0.296 31.432 -37.675 1.00 0.00 H new ATOM 0 HH21 ARG A 11 1.651 34.551 -38.242 1.00 0.00 H new ATOM 0 HH22 ARG A 11 1.943 32.827 -37.987 1.00 0.00 H new ATOM 178 N LEU A 12 -5.532 34.300 -40.115 1.00 0.00 N ATOM 179 CA LEU A 12 -6.956 34.064 -39.836 1.00 0.00 C ATOM 180 C LEU A 12 -7.167 33.324 -38.499 1.00 0.00 C ATOM 181 O LEU A 12 -6.205 32.865 -37.876 1.00 0.00 O ATOM 182 CB LEU A 12 -7.613 33.371 -41.056 1.00 0.00 C ATOM 183 CG LEU A 12 -6.972 32.069 -41.588 1.00 0.00 C ATOM 184 CD1 LEU A 12 -7.075 30.887 -40.621 1.00 0.00 C ATOM 185 CD2 LEU A 12 -7.673 31.664 -42.887 1.00 0.00 C ATOM 0 H LEU A 12 -4.951 33.502 -39.858 1.00 0.00 H new ATOM 0 HA LEU A 12 -7.464 35.019 -39.698 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -8.648 33.151 -40.796 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -7.636 34.090 -41.875 1.00 0.00 H new ATOM 0 HG LEU A 12 -5.914 32.288 -41.731 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -6.603 30.011 -41.066 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -6.571 31.136 -39.687 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -8.124 30.671 -40.421 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -7.227 30.746 -43.270 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -8.733 31.499 -42.692 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -7.559 32.458 -43.625 1.00 0.00 H new ATOM 197 N GLY A 13 -8.420 33.222 -38.046 1.00 0.00 N ATOM 198 CA GLY A 13 -8.787 32.553 -36.792 1.00 0.00 C ATOM 199 C GLY A 13 -8.575 31.035 -36.846 1.00 0.00 C ATOM 200 O GLY A 13 -9.309 30.326 -37.537 1.00 0.00 O ATOM 0 H GLY A 13 -9.221 33.607 -38.547 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -8.196 32.969 -35.976 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -9.833 32.762 -36.566 1.00 0.00 H new ATOM 204 N ALA A 14 -7.578 30.543 -36.106 1.00 0.00 N ATOM 205 CA ALA A 14 -7.195 29.132 -36.010 1.00 0.00 C ATOM 206 C ALA A 14 -6.556 28.812 -34.643 1.00 0.00 C ATOM 207 O ALA A 14 -6.031 29.704 -33.970 1.00 0.00 O ATOM 208 CB ALA A 14 -6.225 28.813 -37.155 1.00 0.00 C ATOM 0 H ALA A 14 -6.989 31.145 -35.531 1.00 0.00 H new ATOM 0 HA ALA A 14 -8.086 28.510 -36.094 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -5.929 27.766 -37.100 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -6.715 29.001 -38.110 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -5.341 29.445 -37.070 1.00 0.00 H new ATOM 214 N VAL A 15 -6.581 27.532 -34.243 1.00 0.00 N ATOM 215 CA VAL A 15 -6.040 27.040 -32.951 1.00 0.00 C ATOM 216 C VAL A 15 -5.164 25.779 -33.130 1.00 0.00 C ATOM 217 O VAL A 15 -5.024 24.956 -32.226 1.00 0.00 O ATOM 218 CB VAL A 15 -7.143 26.881 -31.867 1.00 0.00 C ATOM 219 CG1 VAL A 15 -6.568 27.052 -30.451 1.00 0.00 C ATOM 220 CG2 VAL A 15 -8.285 27.906 -31.978 1.00 0.00 C ATOM 0 H VAL A 15 -6.984 26.789 -34.814 1.00 0.00 H new ATOM 0 HA VAL A 15 -5.372 27.813 -32.571 1.00 0.00 H new ATOM 0 HB VAL A 15 -7.532 25.878 -32.040 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -7.366 26.935 -29.718 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -5.801 26.298 -30.276 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -6.129 28.045 -30.354 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -9.013 27.727 -31.186 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -7.881 28.913 -31.879 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -8.772 27.805 -32.948 1.00 0.00 H new ATOM 230 N SER A 16 -4.567 25.624 -34.317 1.00 0.00 N ATOM 231 CA SER A 16 -3.514 24.642 -34.638 1.00 0.00 C ATOM 232 C SER A 16 -3.844 23.170 -34.315 1.00 0.00 C ATOM 233 O SER A 16 -3.043 22.455 -33.708 1.00 0.00 O ATOM 234 CB SER A 16 -2.167 25.093 -34.046 1.00 0.00 C ATOM 235 OG SER A 16 -1.837 26.404 -34.489 1.00 0.00 O ATOM 0 H SER A 16 -4.813 26.204 -35.119 1.00 0.00 H new ATOM 0 HA SER A 16 -3.444 24.636 -35.726 1.00 0.00 H new ATOM 0 HB2 SER A 16 -2.218 25.074 -32.957 1.00 0.00 H new ATOM 0 HB3 SER A 16 -1.383 24.396 -34.341 1.00 0.00 H new ATOM 0 HG SER A 16 -0.979 26.674 -34.101 1.00 0.00 H new ATOM 241 N TYR A 17 -5.024 22.708 -34.745 1.00 0.00 N ATOM 242 CA TYR A 17 -5.527 21.336 -34.528 1.00 0.00 C ATOM 243 C TYR A 17 -5.574 20.491 -35.809 1.00 0.00 C ATOM 244 O TYR A 17 -5.210 19.314 -35.807 1.00 0.00 O ATOM 245 CB TYR A 17 -6.909 21.402 -33.854 1.00 0.00 C ATOM 246 CG TYR A 17 -7.877 22.382 -34.500 1.00 0.00 C ATOM 247 CD1 TYR A 17 -8.677 21.995 -35.592 1.00 0.00 C ATOM 248 CD2 TYR A 17 -7.925 23.707 -34.032 1.00 0.00 C ATOM 249 CE1 TYR A 17 -9.492 22.945 -36.240 1.00 0.00 C ATOM 250 CE2 TYR A 17 -8.754 24.654 -34.661 1.00 0.00 C ATOM 251 CZ TYR A 17 -9.529 24.277 -35.776 1.00 0.00 C ATOM 252 OH TYR A 17 -10.306 25.206 -36.386 1.00 0.00 O ATOM 0 H TYR A 17 -5.678 23.290 -35.269 1.00 0.00 H new ATOM 0 HA TYR A 17 -4.818 20.829 -33.873 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -7.355 20.407 -33.868 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -6.777 21.677 -32.808 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -8.666 20.970 -35.933 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -7.322 23.999 -33.185 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -10.088 22.653 -37.092 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -8.796 25.667 -34.290 1.00 0.00 H new ATOM 0 HH TYR A 17 -10.970 24.758 -36.950 1.00 0.00 H new ATOM 262 N GLU A 18 -5.982 21.120 -36.905 1.00 0.00 N ATOM 263 CA GLU A 18 -5.945 20.607 -38.289 1.00 0.00 C ATOM 264 C GLU A 18 -6.120 21.734 -39.315 1.00 0.00 C ATOM 265 O GLU A 18 -5.434 21.783 -40.337 1.00 0.00 O ATOM 266 CB GLU A 18 -7.025 19.523 -38.498 1.00 0.00 C ATOM 267 CG GLU A 18 -6.835 18.783 -39.829 1.00 0.00 C ATOM 268 CD GLU A 18 -7.773 17.567 -39.944 1.00 0.00 C ATOM 269 OE1 GLU A 18 -7.443 16.483 -39.402 1.00 0.00 O ATOM 270 OE2 GLU A 18 -8.836 17.679 -40.600 1.00 0.00 O ATOM 0 H GLU A 18 -6.373 22.061 -36.859 1.00 0.00 H new ATOM 0 HA GLU A 18 -4.963 20.161 -38.445 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -6.988 18.809 -37.676 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -8.013 19.984 -38.475 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -7.024 19.468 -40.656 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -5.800 18.454 -39.918 1.00 0.00 H new ATOM 277 N THR A 19 -7.004 22.665 -38.965 1.00 0.00 N ATOM 278 CA THR A 19 -7.288 23.950 -39.630 1.00 0.00 C ATOM 279 C THR A 19 -7.646 23.802 -41.110 1.00 0.00 C ATOM 280 O THR A 19 -6.800 23.894 -41.998 1.00 0.00 O ATOM 281 CB THR A 19 -6.153 24.961 -39.382 1.00 0.00 C ATOM 282 OG1 THR A 19 -5.832 25.004 -38.001 1.00 0.00 O ATOM 283 CG2 THR A 19 -6.547 26.382 -39.787 1.00 0.00 C ATOM 0 H THR A 19 -7.593 22.537 -38.142 1.00 0.00 H new ATOM 0 HA THR A 19 -8.189 24.354 -39.169 1.00 0.00 H new ATOM 0 HB THR A 19 -5.308 24.628 -39.984 1.00 0.00 H new ATOM 0 HG1 THR A 19 -5.108 25.648 -37.853 1.00 0.00 H new ATOM 0 HG21 THR A 19 -5.715 27.059 -39.594 1.00 0.00 H new ATOM 0 HG22 THR A 19 -6.793 26.403 -40.849 1.00 0.00 H new ATOM 0 HG23 THR A 19 -7.414 26.698 -39.208 1.00 0.00 H new ATOM 291 N ASP A 20 -8.919 23.596 -41.448 1.00 0.00 N ATOM 292 CA ASP A 20 -10.127 23.509 -40.609 1.00 0.00 C ATOM 293 C ASP A 20 -11.192 22.581 -41.240 1.00 0.00 C ATOM 294 O ASP A 20 -11.211 22.397 -42.463 1.00 0.00 O ATOM 295 CB ASP A 20 -10.695 24.928 -40.429 1.00 0.00 C ATOM 296 CG ASP A 20 -11.915 24.946 -39.500 1.00 0.00 C ATOM 297 OD1 ASP A 20 -11.811 24.355 -38.401 1.00 0.00 O ATOM 298 OD2 ASP A 20 -12.958 25.529 -39.874 1.00 0.00 O ATOM 0 H ASP A 20 -9.162 23.471 -42.431 1.00 0.00 H new ATOM 0 HA ASP A 20 -9.860 23.081 -39.643 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -9.921 25.579 -40.023 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -10.974 25.333 -41.402 1.00 0.00 H new ATOM 303 N ARG A 21 -12.086 22.002 -40.420 1.00 0.00 N ATOM 304 CA ARG A 21 -13.184 21.112 -40.858 1.00 0.00 C ATOM 305 C ARG A 21 -14.411 21.138 -39.930 1.00 0.00 C ATOM 306 O ARG A 21 -14.335 21.584 -38.785 1.00 0.00 O ATOM 307 CB ARG A 21 -12.662 19.671 -41.032 1.00 0.00 C ATOM 308 CG ARG A 21 -12.075 19.057 -39.745 1.00 0.00 C ATOM 309 CD ARG A 21 -12.077 17.524 -39.803 1.00 0.00 C ATOM 310 NE ARG A 21 -13.449 16.995 -39.688 1.00 0.00 N ATOM 311 CZ ARG A 21 -13.836 15.737 -39.729 1.00 0.00 C ATOM 312 NH1 ARG A 21 -13.008 14.754 -39.945 1.00 0.00 N ATOM 313 NH2 ARG A 21 -15.096 15.466 -39.557 1.00 0.00 N ATOM 0 H ARG A 21 -12.068 22.141 -39.410 1.00 0.00 H new ATOM 0 HA ARG A 21 -13.529 21.497 -41.817 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -13.478 19.040 -41.384 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -11.896 19.664 -41.808 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -11.056 19.416 -39.601 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -12.654 19.391 -38.884 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -11.632 17.191 -40.741 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -11.460 17.125 -38.998 1.00 0.00 H new ATOM 0 HE ARG A 21 -14.187 17.687 -39.561 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -12.017 14.945 -40.091 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -13.351 13.794 -39.968 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -15.762 16.221 -39.394 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -15.418 14.499 -39.585 1.00 0.00 H new ATOM 327 N ASN A 22 -15.535 20.612 -40.424 1.00 0.00 N ATOM 328 CA ASN A 22 -16.787 20.440 -39.675 1.00 0.00 C ATOM 329 C ASN A 22 -16.797 19.134 -38.840 1.00 0.00 C ATOM 330 O ASN A 22 -16.022 18.209 -39.106 1.00 0.00 O ATOM 331 CB ASN A 22 -17.954 20.521 -40.685 1.00 0.00 C ATOM 332 CG ASN A 22 -19.328 20.716 -40.057 1.00 0.00 C ATOM 333 OD1 ASN A 22 -19.480 21.039 -38.887 1.00 0.00 O ATOM 334 ND2 ASN A 22 -20.382 20.539 -40.821 1.00 0.00 N ATOM 0 H ASN A 22 -15.603 20.283 -41.387 1.00 0.00 H new ATOM 0 HA ASN A 22 -16.894 21.235 -38.937 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -17.764 21.345 -41.373 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -17.967 19.607 -41.278 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -21.318 20.671 -40.437 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -20.264 20.270 -41.798 1.00 0.00 H new ATOM 341 N HIS A 23 -17.697 19.045 -37.853 1.00 0.00 N ATOM 342 CA HIS A 23 -17.901 17.895 -36.946 1.00 0.00 C ATOM 343 C HIS A 23 -16.621 17.439 -36.211 1.00 0.00 C ATOM 344 O HIS A 23 -16.343 16.249 -36.058 1.00 0.00 O ATOM 345 CB HIS A 23 -18.663 16.777 -37.683 1.00 0.00 C ATOM 346 CG HIS A 23 -19.269 15.739 -36.766 1.00 0.00 C ATOM 347 ND1 HIS A 23 -20.145 16.003 -35.708 1.00 0.00 N ATOM 348 CD2 HIS A 23 -19.068 14.392 -36.844 1.00 0.00 C ATOM 349 CE1 HIS A 23 -20.445 14.807 -35.169 1.00 0.00 C ATOM 350 NE2 HIS A 23 -19.813 13.824 -35.832 1.00 0.00 N ATOM 0 H HIS A 23 -18.339 19.811 -37.650 1.00 0.00 H new ATOM 0 HA HIS A 23 -18.534 18.221 -36.120 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -19.456 17.225 -38.282 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -17.982 16.282 -38.375 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -18.447 13.872 -37.558 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -21.101 14.658 -34.324 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -19.874 12.828 -35.623 1.00 0.00 H new ATOM 358 N ASP A 24 -15.808 18.411 -35.793 1.00 0.00 N ATOM 359 CA ASP A 24 -14.492 18.236 -35.157 1.00 0.00 C ATOM 360 C ASP A 24 -14.128 19.476 -34.313 1.00 0.00 C ATOM 361 O ASP A 24 -14.960 20.365 -34.098 1.00 0.00 O ATOM 362 CB ASP A 24 -13.440 17.977 -36.254 1.00 0.00 C ATOM 363 CG ASP A 24 -12.356 16.983 -35.798 1.00 0.00 C ATOM 364 OD1 ASP A 24 -11.526 17.347 -34.933 1.00 0.00 O ATOM 365 OD2 ASP A 24 -12.336 15.832 -36.296 1.00 0.00 O ATOM 0 H ASP A 24 -16.059 19.395 -35.892 1.00 0.00 H new ATOM 0 HA ASP A 24 -14.519 17.381 -34.481 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -13.934 17.589 -37.145 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -12.971 18.920 -36.535 1.00 0.00 H new ATOM 370 N LEU A 25 -12.880 19.554 -33.844 1.00 0.00 N ATOM 371 CA LEU A 25 -12.279 20.796 -33.366 1.00 0.00 C ATOM 372 C LEU A 25 -12.375 21.887 -34.452 1.00 0.00 C ATOM 373 O LEU A 25 -12.230 21.616 -35.647 1.00 0.00 O ATOM 374 CB LEU A 25 -10.816 20.554 -32.949 1.00 0.00 C ATOM 375 CG LEU A 25 -10.630 19.627 -31.733 1.00 0.00 C ATOM 376 CD1 LEU A 25 -9.138 19.394 -31.488 1.00 0.00 C ATOM 377 CD2 LEU A 25 -11.230 20.215 -30.452 1.00 0.00 C ATOM 0 H LEU A 25 -12.256 18.749 -33.786 1.00 0.00 H new ATOM 0 HA LEU A 25 -12.827 21.142 -32.490 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -10.278 20.129 -33.796 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -10.353 21.516 -32.728 1.00 0.00 H new ATOM 0 HG LEU A 25 -11.147 18.696 -31.964 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -9.009 18.738 -30.627 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -8.693 18.930 -32.368 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -8.648 20.348 -31.294 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -11.072 19.523 -29.625 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -10.747 21.166 -30.227 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -12.299 20.376 -30.591 1.00 0.00 H new ATOM 389 N ALA A 26 -12.671 23.109 -34.012 1.00 0.00 N ATOM 390 CA ALA A 26 -13.189 24.195 -34.851 1.00 0.00 C ATOM 391 C ALA A 26 -12.782 25.590 -34.312 1.00 0.00 C ATOM 392 O ALA A 26 -12.310 25.681 -33.167 1.00 0.00 O ATOM 393 CB ALA A 26 -14.716 24.005 -34.866 1.00 0.00 C ATOM 0 H ALA A 26 -12.555 23.381 -33.036 1.00 0.00 H new ATOM 0 HA ALA A 26 -12.773 24.155 -35.857 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -15.174 24.784 -35.476 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -14.957 23.028 -35.284 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -15.101 24.069 -33.848 1.00 0.00 H new ATOM 399 N PRO A 27 -12.965 26.687 -35.078 1.00 0.00 N ATOM 400 CA PRO A 27 -12.815 28.055 -34.586 1.00 0.00 C ATOM 401 C PRO A 27 -13.731 28.335 -33.390 1.00 0.00 C ATOM 402 O PRO A 27 -14.888 27.905 -33.328 1.00 0.00 O ATOM 403 CB PRO A 27 -13.119 28.983 -35.770 1.00 0.00 C ATOM 404 CG PRO A 27 -13.953 28.106 -36.702 1.00 0.00 C ATOM 405 CD PRO A 27 -13.310 26.742 -36.486 1.00 0.00 C ATOM 0 HA PRO A 27 -11.803 28.222 -34.217 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -13.668 29.870 -35.455 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -12.206 29.329 -36.254 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -15.009 28.109 -36.433 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -13.887 28.431 -37.740 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -13.997 25.939 -36.752 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -12.425 26.624 -37.111 1.00 0.00 H new ATOM 413 N ARG A 28 -13.159 29.042 -32.416 1.00 0.00 N ATOM 414 CA ARG A 28 -13.748 29.312 -31.092 1.00 0.00 C ATOM 415 C ARG A 28 -13.487 30.728 -30.558 1.00 0.00 C ATOM 416 O ARG A 28 -12.647 31.462 -31.077 1.00 0.00 O ATOM 417 CB ARG A 28 -13.301 28.201 -30.126 1.00 0.00 C ATOM 418 CG ARG A 28 -11.816 28.288 -29.742 1.00 0.00 C ATOM 419 CD ARG A 28 -11.261 26.931 -29.295 1.00 0.00 C ATOM 420 NE ARG A 28 -11.128 26.006 -30.440 1.00 0.00 N ATOM 421 CZ ARG A 28 -10.306 24.982 -30.557 1.00 0.00 C ATOM 422 NH1 ARG A 28 -9.530 24.588 -29.589 1.00 0.00 N ATOM 423 NH2 ARG A 28 -10.254 24.345 -31.687 1.00 0.00 N ATOM 0 H ARG A 28 -12.236 29.462 -32.526 1.00 0.00 H new ATOM 0 HA ARG A 28 -14.833 29.291 -31.190 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -13.906 28.251 -29.221 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -13.494 27.231 -30.585 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -11.242 28.653 -30.594 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -11.691 29.014 -28.939 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -10.289 27.070 -28.822 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -11.921 26.494 -28.545 1.00 0.00 H new ATOM 0 HE ARG A 28 -11.745 26.180 -31.233 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -9.542 25.077 -28.694 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -8.910 23.790 -29.725 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -10.843 24.639 -32.466 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -9.624 23.550 -31.796 1.00 0.00 H new ATOM 437 N GLN A 29 -14.211 31.081 -29.497 1.00 0.00 N ATOM 438 CA GLN A 29 -14.168 32.343 -28.756 1.00 0.00 C ATOM 439 C GLN A 29 -14.089 32.038 -27.258 1.00 0.00 C ATOM 440 O GLN A 29 -15.022 31.501 -26.669 1.00 0.00 O ATOM 441 CB GLN A 29 -15.431 33.191 -29.014 1.00 0.00 C ATOM 442 CG GLN A 29 -15.755 33.469 -30.492 1.00 0.00 C ATOM 443 CD GLN A 29 -17.116 32.906 -30.886 1.00 0.00 C ATOM 444 OE1 GLN A 29 -17.984 33.592 -31.408 1.00 0.00 O ATOM 445 NE2 GLN A 29 -17.340 31.634 -30.642 1.00 0.00 N ATOM 0 H GLN A 29 -14.899 30.441 -29.101 1.00 0.00 H new ATOM 0 HA GLN A 29 -13.295 32.904 -29.091 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -16.285 32.685 -28.562 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -15.317 34.145 -28.500 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -15.740 34.544 -30.672 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -14.983 33.029 -31.123 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -16.616 31.063 -30.207 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -18.238 31.218 -30.888 1.00 0.00 H new ATOM 454 N ILE A 30 -12.976 32.385 -26.629 1.00 0.00 N ATOM 455 CA ILE A 30 -12.791 32.282 -25.178 1.00 0.00 C ATOM 456 C ILE A 30 -13.213 33.605 -24.527 1.00 0.00 C ATOM 457 O ILE A 30 -12.456 34.580 -24.560 1.00 0.00 O ATOM 458 CB ILE A 30 -11.338 31.896 -24.818 1.00 0.00 C ATOM 459 CG1 ILE A 30 -10.742 30.755 -25.674 1.00 0.00 C ATOM 460 CG2 ILE A 30 -11.296 31.550 -23.320 1.00 0.00 C ATOM 461 CD1 ILE A 30 -11.553 29.459 -25.718 1.00 0.00 C ATOM 0 H ILE A 30 -12.158 32.753 -27.115 1.00 0.00 H new ATOM 0 HA ILE A 30 -13.421 31.482 -24.789 1.00 0.00 H new ATOM 0 HB ILE A 30 -10.704 32.754 -25.043 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -10.619 31.119 -26.694 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -9.746 30.525 -25.295 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -10.280 31.273 -23.039 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -11.611 32.416 -22.738 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -11.968 30.715 -23.120 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -11.041 28.731 -26.347 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -11.655 29.059 -24.709 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -12.542 29.662 -26.130 1.00 0.00 H new ATOM 473 N ALA A 31 -14.411 33.641 -23.939 1.00 0.00 N ATOM 474 CA ALA A 31 -14.925 34.801 -23.212 1.00 0.00 C ATOM 475 C ALA A 31 -14.818 34.610 -21.695 1.00 0.00 C ATOM 476 O ALA A 31 -14.990 33.504 -21.186 1.00 0.00 O ATOM 477 CB ALA A 31 -16.361 35.088 -23.644 1.00 0.00 C ATOM 0 H ALA A 31 -15.059 32.854 -23.955 1.00 0.00 H new ATOM 0 HA ALA A 31 -14.310 35.666 -23.460 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -16.739 35.953 -23.099 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -16.385 35.294 -24.714 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -16.986 34.222 -23.428 1.00 0.00 H new ATOM 483 N ARG A 32 -14.552 35.686 -20.957 1.00 0.00 N ATOM 484 CA ARG A 32 -14.411 35.670 -19.491 1.00 0.00 C ATOM 485 C ARG A 32 -15.661 36.172 -18.784 1.00 0.00 C ATOM 486 O ARG A 32 -16.380 37.022 -19.309 1.00 0.00 O ATOM 487 CB ARG A 32 -13.147 36.445 -19.089 1.00 0.00 C ATOM 488 CG ARG A 32 -11.915 35.543 -19.272 1.00 0.00 C ATOM 489 CD ARG A 32 -10.650 36.335 -19.651 1.00 0.00 C ATOM 490 NE ARG A 32 -9.810 35.570 -20.594 1.00 0.00 N ATOM 491 CZ ARG A 32 -10.083 35.349 -21.871 1.00 0.00 C ATOM 492 NH1 ARG A 32 -11.036 35.967 -22.506 1.00 0.00 N ATOM 493 NH2 ARG A 32 -9.402 34.470 -22.548 1.00 0.00 N ATOM 0 H ARG A 32 -14.425 36.613 -21.363 1.00 0.00 H new ATOM 0 HA ARG A 32 -14.295 34.637 -19.162 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -13.048 37.343 -19.699 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -13.222 36.771 -18.052 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -11.732 34.994 -18.349 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -12.122 34.805 -20.047 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -10.933 37.287 -20.100 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -10.078 36.565 -18.752 1.00 0.00 H new ATOM 0 HE ARG A 32 -8.942 35.177 -20.230 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -11.610 36.655 -22.019 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -11.209 35.763 -23.490 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -8.653 33.946 -22.095 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -9.618 34.305 -23.531 1.00 0.00 H new ATOM 507 N TYR A 33 -15.890 35.672 -17.567 1.00 0.00 N ATOM 508 CA TYR A 33 -17.001 36.083 -16.706 1.00 0.00 C ATOM 509 C TYR A 33 -16.587 36.114 -15.225 1.00 0.00 C ATOM 510 O TYR A 33 -15.828 35.254 -14.772 1.00 0.00 O ATOM 511 CB TYR A 33 -18.195 35.142 -16.884 1.00 0.00 C ATOM 512 CG TYR A 33 -18.799 35.064 -18.267 1.00 0.00 C ATOM 513 CD1 TYR A 33 -18.204 34.277 -19.272 1.00 0.00 C ATOM 514 CD2 TYR A 33 -19.994 35.749 -18.530 1.00 0.00 C ATOM 515 CE1 TYR A 33 -18.831 34.148 -20.525 1.00 0.00 C ATOM 516 CE2 TYR A 33 -20.614 35.634 -19.783 1.00 0.00 C ATOM 517 CZ TYR A 33 -20.061 34.796 -20.766 1.00 0.00 C ATOM 518 OH TYR A 33 -20.747 34.579 -21.913 1.00 0.00 O ATOM 0 H TYR A 33 -15.297 34.957 -17.145 1.00 0.00 H new ATOM 0 HA TYR A 33 -17.287 37.092 -17.004 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -17.884 34.139 -16.592 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -18.976 35.449 -16.189 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -17.268 33.773 -19.081 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -20.439 36.368 -17.765 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -18.372 33.554 -21.301 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -21.516 36.189 -19.992 1.00 0.00 H new ATOM 0 HH TYR A 33 -21.413 35.287 -22.035 1.00 0.00 H new ATOM 528 N ARG A 34 -17.097 37.093 -14.466 1.00 0.00 N ATOM 529 CA ARG A 34 -16.819 37.318 -13.039 1.00 0.00 C ATOM 530 C ARG A 34 -18.031 36.988 -12.174 1.00 0.00 C ATOM 531 O ARG A 34 -19.115 37.522 -12.409 1.00 0.00 O ATOM 532 CB ARG A 34 -16.351 38.770 -12.839 1.00 0.00 C ATOM 533 CG ARG A 34 -16.000 39.050 -11.367 1.00 0.00 C ATOM 534 CD ARG A 34 -15.050 40.237 -11.210 1.00 0.00 C ATOM 535 NE ARG A 34 -15.629 41.508 -11.685 1.00 0.00 N ATOM 536 CZ ARG A 34 -15.062 42.393 -12.489 1.00 0.00 C ATOM 537 NH1 ARG A 34 -13.925 42.194 -13.094 1.00 0.00 N ATOM 538 NH2 ARG A 34 -15.654 43.533 -12.713 1.00 0.00 N ATOM 0 H ARG A 34 -17.745 37.783 -14.847 1.00 0.00 H new ATOM 0 HA ARG A 34 -16.023 36.645 -12.719 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -15.480 38.962 -13.465 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -17.135 39.454 -13.164 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -16.916 39.245 -10.809 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -15.543 38.162 -10.930 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -14.776 40.339 -10.160 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -14.131 40.035 -11.761 1.00 0.00 H new ATOM 0 HE ARG A 34 -16.570 41.729 -11.358 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -13.422 41.317 -12.959 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -13.538 42.915 -13.703 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -16.549 43.739 -12.269 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -15.222 44.219 -13.332 1.00 0.00 H new ATOM 552 N THR A 35 -17.838 36.131 -11.177 1.00 0.00 N ATOM 553 CA THR A 35 -18.874 35.706 -10.216 1.00 0.00 C ATOM 554 C THR A 35 -19.130 36.786 -9.161 1.00 0.00 C ATOM 555 O THR A 35 -18.439 37.805 -9.095 1.00 0.00 O ATOM 556 CB THR A 35 -18.526 34.380 -9.520 1.00 0.00 C ATOM 557 OG1 THR A 35 -17.355 34.524 -8.775 1.00 0.00 O ATOM 558 CG2 THR A 35 -18.351 33.231 -10.501 1.00 0.00 C ATOM 0 H THR A 35 -16.933 35.695 -11.002 1.00 0.00 H new ATOM 0 HA THR A 35 -19.781 35.550 -10.800 1.00 0.00 H new ATOM 0 HB THR A 35 -19.366 34.137 -8.869 1.00 0.00 H new ATOM 0 HG1 THR A 35 -16.595 34.646 -9.381 1.00 0.00 H new ATOM 0 HG21 THR A 35 -18.106 32.320 -9.955 1.00 0.00 H new ATOM 0 HG22 THR A 35 -19.277 33.083 -11.057 1.00 0.00 H new ATOM 0 HG23 THR A 35 -17.544 33.465 -11.195 1.00 0.00 H new ATOM 566 N ASP A 36 -20.103 36.549 -8.281 1.00 0.00 N ATOM 567 CA ASP A 36 -20.485 37.512 -7.239 1.00 0.00 C ATOM 568 C ASP A 36 -19.517 37.496 -6.038 1.00 0.00 C ATOM 569 O ASP A 36 -19.523 38.402 -5.203 1.00 0.00 O ATOM 570 CB ASP A 36 -21.938 37.236 -6.824 1.00 0.00 C ATOM 571 CG ASP A 36 -22.507 38.319 -5.890 1.00 0.00 C ATOM 572 OD1 ASP A 36 -22.642 39.487 -6.328 1.00 0.00 O ATOM 573 OD2 ASP A 36 -22.860 37.998 -4.730 1.00 0.00 O ATOM 0 H ASP A 36 -20.649 35.688 -8.267 1.00 0.00 H new ATOM 0 HA ASP A 36 -20.415 38.521 -7.644 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -22.560 37.169 -7.717 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -21.991 36.268 -6.326 1.00 0.00 H new ATOM 578 N ASN A 37 -18.641 36.487 -5.983 1.00 0.00 N ATOM 579 CA ASN A 37 -17.578 36.324 -4.998 1.00 0.00 C ATOM 580 C ASN A 37 -16.220 36.861 -5.530 1.00 0.00 C ATOM 581 O ASN A 37 -15.166 36.615 -4.942 1.00 0.00 O ATOM 582 CB ASN A 37 -17.620 34.838 -4.612 1.00 0.00 C ATOM 583 CG ASN A 37 -16.706 34.454 -3.466 1.00 0.00 C ATOM 584 OD1 ASN A 37 -16.629 35.112 -2.436 1.00 0.00 O ATOM 585 ND2 ASN A 37 -16.036 33.335 -3.588 1.00 0.00 N ATOM 0 H ASN A 37 -18.659 35.725 -6.661 1.00 0.00 H new ATOM 0 HA ASN A 37 -17.716 36.923 -4.098 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -18.644 34.575 -4.346 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -17.355 34.242 -5.485 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -15.446 33.008 -2.823 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -16.104 32.791 -4.448 1.00 0.00 H new ATOM 592 N GLY A 38 -16.245 37.588 -6.660 1.00 0.00 N ATOM 593 CA GLY A 38 -15.080 38.163 -7.354 1.00 0.00 C ATOM 594 C GLY A 38 -14.329 37.194 -8.261 1.00 0.00 C ATOM 595 O GLY A 38 -13.305 37.561 -8.835 1.00 0.00 O ATOM 0 H GLY A 38 -17.121 37.801 -7.137 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -15.414 39.012 -7.951 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -14.386 38.551 -6.608 1.00 0.00 H new ATOM 599 N GLU A 39 -14.798 35.954 -8.365 1.00 0.00 N ATOM 600 CA GLU A 39 -14.043 34.863 -8.978 1.00 0.00 C ATOM 601 C GLU A 39 -14.234 34.876 -10.492 1.00 0.00 C ATOM 602 O GLU A 39 -15.359 34.763 -10.980 1.00 0.00 O ATOM 603 CB GLU A 39 -14.413 33.500 -8.370 1.00 0.00 C ATOM 604 CG GLU A 39 -14.685 33.555 -6.863 1.00 0.00 C ATOM 605 CD GLU A 39 -14.252 32.257 -6.158 1.00 0.00 C ATOM 606 OE1 GLU A 39 -13.044 31.917 -6.172 1.00 0.00 O ATOM 607 OE2 GLU A 39 -15.115 31.599 -5.535 1.00 0.00 O ATOM 0 H GLU A 39 -15.718 35.675 -8.025 1.00 0.00 H new ATOM 0 HA GLU A 39 -12.986 35.021 -8.766 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -15.297 33.113 -8.877 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -13.603 32.795 -8.559 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -14.152 34.401 -6.428 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -15.748 33.725 -6.691 1.00 0.00 H new ATOM 614 N GLU A 40 -13.146 35.024 -11.235 1.00 0.00 N ATOM 615 CA GLU A 40 -13.174 35.160 -12.696 1.00 0.00 C ATOM 616 C GLU A 40 -12.776 33.847 -13.389 1.00 0.00 C ATOM 617 O GLU A 40 -11.724 33.268 -13.102 1.00 0.00 O ATOM 618 CB GLU A 40 -12.248 36.301 -13.151 1.00 0.00 C ATOM 619 CG GLU A 40 -12.637 37.647 -12.529 1.00 0.00 C ATOM 620 CD GLU A 40 -11.787 38.818 -13.064 1.00 0.00 C ATOM 621 OE1 GLU A 40 -10.541 38.691 -13.162 1.00 0.00 O ATOM 622 OE2 GLU A 40 -12.361 39.896 -13.352 1.00 0.00 O ATOM 0 H GLU A 40 -12.205 35.054 -10.842 1.00 0.00 H new ATOM 0 HA GLU A 40 -14.197 35.399 -12.985 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -11.220 36.062 -12.880 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -12.281 36.382 -14.237 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -13.690 37.845 -12.731 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -12.526 37.588 -11.446 1.00 0.00 H new ATOM 629 N PHE A 41 -13.622 33.395 -14.319 1.00 0.00 N ATOM 630 CA PHE A 41 -13.455 32.167 -15.100 1.00 0.00 C ATOM 631 C PHE A 41 -13.538 32.437 -16.607 1.00 0.00 C ATOM 632 O PHE A 41 -14.042 33.474 -17.043 1.00 0.00 O ATOM 633 CB PHE A 41 -14.512 31.135 -14.676 1.00 0.00 C ATOM 634 CG PHE A 41 -14.376 30.652 -13.243 1.00 0.00 C ATOM 635 CD1 PHE A 41 -14.973 31.357 -12.179 1.00 0.00 C ATOM 636 CD2 PHE A 41 -13.630 29.489 -12.965 1.00 0.00 C ATOM 637 CE1 PHE A 41 -14.804 30.907 -10.864 1.00 0.00 C ATOM 638 CE2 PHE A 41 -13.444 29.056 -11.642 1.00 0.00 C ATOM 639 CZ PHE A 41 -14.029 29.770 -10.586 1.00 0.00 C ATOM 0 H PHE A 41 -14.478 33.896 -14.558 1.00 0.00 H new ATOM 0 HA PHE A 41 -12.461 31.769 -14.898 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -15.502 31.572 -14.807 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -14.452 30.276 -15.344 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -15.559 32.242 -12.377 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -13.197 28.925 -13.778 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -15.276 31.442 -10.053 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -12.852 28.176 -11.438 1.00 0.00 H new ATOM 0 HZ PHE A 41 -13.884 29.447 -9.566 1.00 0.00 H new ATOM 649 N GLU A 42 -13.068 31.481 -17.408 1.00 0.00 N ATOM 650 CA GLU A 42 -13.100 31.514 -18.867 1.00 0.00 C ATOM 651 C GLU A 42 -14.080 30.459 -19.396 1.00 0.00 C ATOM 652 O GLU A 42 -14.037 29.292 -18.994 1.00 0.00 O ATOM 653 CB GLU A 42 -11.703 31.292 -19.478 1.00 0.00 C ATOM 654 CG GLU A 42 -10.542 32.050 -18.812 1.00 0.00 C ATOM 655 CD GLU A 42 -9.768 31.163 -17.816 1.00 0.00 C ATOM 656 OE1 GLU A 42 -8.804 30.475 -18.236 1.00 0.00 O ATOM 657 OE2 GLU A 42 -10.104 31.148 -16.607 1.00 0.00 O ATOM 0 H GLU A 42 -12.639 30.631 -17.043 1.00 0.00 H new ATOM 0 HA GLU A 42 -13.437 32.506 -19.167 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -11.480 30.226 -19.444 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -11.740 31.577 -20.529 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -9.859 32.414 -19.580 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -10.932 32.925 -18.291 1.00 0.00 H new ATOM 664 N VAL A 43 -14.946 30.868 -20.319 1.00 0.00 N ATOM 665 CA VAL A 43 -15.953 30.036 -20.983 1.00 0.00 C ATOM 666 C VAL A 43 -15.635 29.940 -22.485 1.00 0.00 C ATOM 667 O VAL A 43 -15.742 30.944 -23.195 1.00 0.00 O ATOM 668 CB VAL A 43 -17.379 30.566 -20.751 1.00 0.00 C ATOM 669 CG1 VAL A 43 -18.409 29.613 -21.367 1.00 0.00 C ATOM 670 CG2 VAL A 43 -17.708 30.736 -19.261 1.00 0.00 C ATOM 0 H VAL A 43 -14.968 31.835 -20.642 1.00 0.00 H new ATOM 0 HA VAL A 43 -15.915 29.038 -20.546 1.00 0.00 H new ATOM 0 HB VAL A 43 -17.425 31.545 -21.229 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -19.413 30.001 -21.195 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -18.231 29.529 -22.439 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -18.316 28.630 -20.906 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -18.725 31.112 -19.154 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -17.622 29.773 -18.757 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -17.010 31.443 -18.813 1.00 0.00 H new ATOM 680 N PRO A 44 -15.208 28.769 -22.993 1.00 0.00 N ATOM 681 CA PRO A 44 -15.029 28.536 -24.424 1.00 0.00 C ATOM 682 C PRO A 44 -16.382 28.432 -25.153 1.00 0.00 C ATOM 683 O PRO A 44 -17.253 27.644 -24.774 1.00 0.00 O ATOM 684 CB PRO A 44 -14.222 27.235 -24.523 1.00 0.00 C ATOM 685 CG PRO A 44 -14.579 26.476 -23.245 1.00 0.00 C ATOM 686 CD PRO A 44 -14.852 27.583 -22.226 1.00 0.00 C ATOM 0 HA PRO A 44 -14.509 29.363 -24.907 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -14.491 26.666 -25.413 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -13.152 27.433 -24.583 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -15.453 25.840 -23.388 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -13.763 25.829 -22.923 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -15.660 27.300 -21.552 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -13.973 27.769 -21.609 1.00 0.00 H new ATOM 694 N PHE A 45 -16.534 29.193 -26.238 1.00 0.00 N ATOM 695 CA PHE A 45 -17.685 29.171 -27.160 1.00 0.00 C ATOM 696 C PHE A 45 -17.243 28.812 -28.583 1.00 0.00 C ATOM 697 O PHE A 45 -16.210 29.283 -29.045 1.00 0.00 O ATOM 698 CB PHE A 45 -18.376 30.541 -27.172 1.00 0.00 C ATOM 699 CG PHE A 45 -19.242 30.827 -25.960 1.00 0.00 C ATOM 700 CD1 PHE A 45 -18.673 31.399 -24.807 1.00 0.00 C ATOM 701 CD2 PHE A 45 -20.628 30.581 -26.000 1.00 0.00 C ATOM 702 CE1 PHE A 45 -19.483 31.722 -23.708 1.00 0.00 C ATOM 703 CE2 PHE A 45 -21.435 30.896 -24.891 1.00 0.00 C ATOM 704 CZ PHE A 45 -20.860 31.452 -23.735 1.00 0.00 C ATOM 0 H PHE A 45 -15.829 29.875 -26.516 1.00 0.00 H new ATOM 0 HA PHE A 45 -18.383 28.411 -26.809 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -17.613 31.316 -27.247 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -18.993 30.613 -28.067 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -17.611 31.590 -24.768 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -21.073 30.149 -26.884 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -19.044 32.182 -22.835 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -22.498 30.710 -24.928 1.00 0.00 H new ATOM 0 HZ PHE A 45 -21.474 31.670 -22.873 1.00 0.00 H new ATOM 714 N ALA A 46 -18.039 28.047 -29.324 1.00 0.00 N ATOM 715 CA ALA A 46 -17.761 27.694 -30.720 1.00 0.00 C ATOM 716 C ALA A 46 -18.259 28.783 -31.686 1.00 0.00 C ATOM 717 O ALA A 46 -19.149 29.561 -31.343 1.00 0.00 O ATOM 718 CB ALA A 46 -18.395 26.329 -31.016 1.00 0.00 C ATOM 0 H ALA A 46 -18.908 27.647 -28.970 1.00 0.00 H new ATOM 0 HA ALA A 46 -16.684 27.626 -30.872 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -18.197 26.053 -32.052 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -17.968 25.578 -30.352 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -19.472 26.385 -30.855 1.00 0.00 H new ATOM 724 N ASP A 47 -17.729 28.831 -32.910 1.00 0.00 N ATOM 725 CA ASP A 47 -18.146 29.789 -33.954 1.00 0.00 C ATOM 726 C ASP A 47 -19.636 29.657 -34.360 1.00 0.00 C ATOM 727 O ASP A 47 -20.232 30.600 -34.883 1.00 0.00 O ATOM 728 CB ASP A 47 -17.223 29.612 -35.167 1.00 0.00 C ATOM 729 CG ASP A 47 -17.492 30.640 -36.279 1.00 0.00 C ATOM 730 OD1 ASP A 47 -17.185 31.841 -36.082 1.00 0.00 O ATOM 731 OD2 ASP A 47 -17.972 30.245 -37.369 1.00 0.00 O ATOM 0 H ASP A 47 -16.988 28.200 -33.215 1.00 0.00 H new ATOM 0 HA ASP A 47 -18.054 30.795 -33.545 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -16.186 29.697 -34.843 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -17.349 28.607 -35.570 1.00 0.00 H new ATOM 736 N ASP A 48 -20.260 28.507 -34.078 1.00 0.00 N ATOM 737 CA ASP A 48 -21.706 28.273 -34.237 1.00 0.00 C ATOM 738 C ASP A 48 -22.567 28.979 -33.158 1.00 0.00 C ATOM 739 O ASP A 48 -23.785 29.103 -33.308 1.00 0.00 O ATOM 740 CB ASP A 48 -21.939 26.755 -34.224 1.00 0.00 C ATOM 741 CG ASP A 48 -23.379 26.365 -34.601 1.00 0.00 C ATOM 742 OD1 ASP A 48 -23.798 26.624 -35.756 1.00 0.00 O ATOM 743 OD2 ASP A 48 -24.084 25.752 -33.762 1.00 0.00 O ATOM 0 H ASP A 48 -19.763 27.690 -33.723 1.00 0.00 H new ATOM 0 HA ASP A 48 -22.026 28.709 -35.183 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -21.246 26.281 -34.919 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -21.711 26.366 -33.231 1.00 0.00 H new ATOM 748 N ALA A 49 -21.935 29.455 -32.080 1.00 0.00 N ATOM 749 CA ALA A 49 -22.538 30.127 -30.928 1.00 0.00 C ATOM 750 C ALA A 49 -22.094 31.604 -30.801 1.00 0.00 C ATOM 751 O ALA A 49 -21.246 32.096 -31.547 1.00 0.00 O ATOM 752 CB ALA A 49 -22.187 29.310 -29.673 1.00 0.00 C ATOM 0 H ALA A 49 -20.923 29.375 -31.984 1.00 0.00 H new ATOM 0 HA ALA A 49 -23.619 30.169 -31.057 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -22.623 29.786 -28.795 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -22.585 28.300 -29.773 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -21.104 29.264 -29.560 1.00 0.00 H new ATOM 758 N GLU A 50 -22.669 32.312 -29.826 1.00 0.00 N ATOM 759 CA GLU A 50 -22.319 33.686 -29.433 1.00 0.00 C ATOM 760 C GLU A 50 -22.192 33.821 -27.903 1.00 0.00 C ATOM 761 O GLU A 50 -22.612 32.928 -27.166 1.00 0.00 O ATOM 762 CB GLU A 50 -23.351 34.668 -30.018 1.00 0.00 C ATOM 763 CG GLU A 50 -24.758 34.545 -29.409 1.00 0.00 C ATOM 764 CD GLU A 50 -25.741 35.508 -30.102 1.00 0.00 C ATOM 765 OE1 GLU A 50 -25.831 36.692 -29.693 1.00 0.00 O ATOM 766 OE2 GLU A 50 -26.438 35.089 -31.059 1.00 0.00 O ATOM 0 H GLU A 50 -23.427 31.929 -29.261 1.00 0.00 H new ATOM 0 HA GLU A 50 -21.340 33.933 -29.843 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -22.991 35.686 -29.869 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -23.418 34.508 -31.094 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -25.114 33.520 -29.510 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -24.718 34.765 -28.342 1.00 0.00 H new ATOM 773 N ILE A 51 -21.626 34.937 -27.427 1.00 0.00 N ATOM 774 CA ILE A 51 -21.402 35.269 -26.013 1.00 0.00 C ATOM 775 C ILE A 51 -22.607 36.058 -25.474 1.00 0.00 C ATOM 776 O ILE A 51 -22.799 37.224 -25.841 1.00 0.00 O ATOM 777 CB ILE A 51 -20.104 36.091 -25.805 1.00 0.00 C ATOM 778 CG1 ILE A 51 -18.931 35.625 -26.694 1.00 0.00 C ATOM 779 CG2 ILE A 51 -19.697 36.106 -24.318 1.00 0.00 C ATOM 780 CD1 ILE A 51 -18.449 34.191 -26.474 1.00 0.00 C ATOM 0 H ILE A 51 -21.294 35.673 -28.051 1.00 0.00 H new ATOM 0 HA ILE A 51 -21.289 34.333 -25.466 1.00 0.00 H new ATOM 0 HB ILE A 51 -20.335 37.109 -26.120 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -19.228 35.731 -27.737 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -18.089 36.298 -26.532 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -18.784 36.689 -24.197 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -20.495 36.555 -23.727 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -19.524 35.085 -23.978 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -17.624 33.976 -27.153 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -18.111 34.075 -25.444 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -19.268 33.498 -26.668 1.00 0.00 H new ATOM 792 N PRO A 52 -23.426 35.460 -24.599 1.00 0.00 N ATOM 793 CA PRO A 52 -24.442 36.171 -23.840 1.00 0.00 C ATOM 794 C PRO A 52 -23.798 37.044 -22.754 1.00 0.00 C ATOM 795 O PRO A 52 -22.726 36.726 -22.232 1.00 0.00 O ATOM 796 CB PRO A 52 -25.340 35.076 -23.262 1.00 0.00 C ATOM 797 CG PRO A 52 -24.415 33.869 -23.139 1.00 0.00 C ATOM 798 CD PRO A 52 -23.413 34.052 -24.268 1.00 0.00 C ATOM 0 HA PRO A 52 -25.020 36.863 -24.453 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -25.750 35.365 -22.294 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -26.186 34.866 -23.917 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -23.921 33.843 -22.168 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -24.965 32.933 -23.242 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -22.417 33.735 -23.959 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -23.687 33.447 -25.132 1.00 0.00 H new ATOM 806 N GLY A 53 -24.478 38.135 -22.389 1.00 0.00 N ATOM 807 CA GLY A 53 -24.059 39.104 -21.362 1.00 0.00 C ATOM 808 C GLY A 53 -23.642 38.489 -20.017 1.00 0.00 C ATOM 809 O GLY A 53 -22.780 39.041 -19.327 1.00 0.00 O ATOM 0 H GLY A 53 -25.371 38.380 -22.816 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -23.224 39.685 -21.752 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -24.878 39.801 -21.187 1.00 0.00 H new ATOM 813 N THR A 54 -24.215 37.341 -19.642 1.00 0.00 N ATOM 814 CA THR A 54 -23.783 36.551 -18.483 1.00 0.00 C ATOM 815 C THR A 54 -23.807 35.035 -18.760 1.00 0.00 C ATOM 816 O THR A 54 -24.494 34.573 -19.676 1.00 0.00 O ATOM 817 CB THR A 54 -24.696 36.812 -17.263 1.00 0.00 C ATOM 818 OG1 THR A 54 -26.034 36.457 -17.558 1.00 0.00 O ATOM 819 CG2 THR A 54 -24.784 38.279 -16.845 1.00 0.00 C ATOM 0 H THR A 54 -25.003 36.928 -20.141 1.00 0.00 H new ATOM 0 HA THR A 54 -22.760 36.865 -18.278 1.00 0.00 H new ATOM 0 HB THR A 54 -24.243 36.219 -16.468 1.00 0.00 H new ATOM 0 HG1 THR A 54 -26.598 36.627 -16.775 1.00 0.00 H new ATOM 0 HG21 THR A 54 -25.444 38.373 -15.983 1.00 0.00 H new ATOM 0 HG22 THR A 54 -23.791 38.643 -16.583 1.00 0.00 H new ATOM 0 HG23 THR A 54 -25.180 38.870 -17.671 1.00 0.00 H new ATOM 827 N TRP A 55 -23.058 34.249 -17.972 1.00 0.00 N ATOM 828 CA TRP A 55 -22.941 32.786 -18.095 1.00 0.00 C ATOM 829 C TRP A 55 -22.484 32.123 -16.780 1.00 0.00 C ATOM 830 O TRP A 55 -21.723 32.708 -16.009 1.00 0.00 O ATOM 831 CB TRP A 55 -21.948 32.453 -19.216 1.00 0.00 C ATOM 832 CG TRP A 55 -21.933 31.022 -19.648 1.00 0.00 C ATOM 833 CD1 TRP A 55 -21.112 30.073 -19.157 1.00 0.00 C ATOM 834 CD2 TRP A 55 -22.743 30.352 -20.660 1.00 0.00 C ATOM 835 NE1 TRP A 55 -21.312 28.884 -19.821 1.00 0.00 N ATOM 836 CE2 TRP A 55 -22.313 28.994 -20.762 1.00 0.00 C ATOM 837 CE3 TRP A 55 -23.790 30.761 -21.511 1.00 0.00 C ATOM 838 CZ2 TRP A 55 -22.879 28.095 -21.678 1.00 0.00 C ATOM 839 CZ3 TRP A 55 -24.371 29.866 -22.432 1.00 0.00 C ATOM 840 CH2 TRP A 55 -23.917 28.536 -22.518 1.00 0.00 C ATOM 0 H TRP A 55 -22.499 34.625 -17.207 1.00 0.00 H new ATOM 0 HA TRP A 55 -23.929 32.390 -18.330 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -22.179 33.075 -20.081 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -20.946 32.727 -18.885 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -20.400 30.223 -18.359 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -20.786 28.029 -19.640 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -24.153 31.777 -21.456 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -22.522 27.077 -21.737 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -25.170 30.203 -23.076 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -24.365 27.856 -23.227 1.00 0.00 H new ATOM 851 N LEU A 56 -22.927 30.891 -16.503 1.00 0.00 N ATOM 852 CA LEU A 56 -22.589 30.152 -15.282 1.00 0.00 C ATOM 853 C LEU A 56 -21.107 29.727 -15.261 1.00 0.00 C ATOM 854 O LEU A 56 -20.617 29.060 -16.175 1.00 0.00 O ATOM 855 CB LEU A 56 -23.541 28.949 -15.135 1.00 0.00 C ATOM 856 CG LEU A 56 -24.144 28.792 -13.730 1.00 0.00 C ATOM 857 CD1 LEU A 56 -25.265 27.756 -13.751 1.00 0.00 C ATOM 858 CD2 LEU A 56 -23.106 28.331 -12.710 1.00 0.00 C ATOM 0 H LEU A 56 -23.540 30.372 -17.131 1.00 0.00 H new ATOM 0 HA LEU A 56 -22.723 30.808 -14.422 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -24.351 29.051 -15.857 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -23.000 28.038 -15.390 1.00 0.00 H new ATOM 0 HG LEU A 56 -24.521 29.773 -13.440 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -25.684 27.653 -12.750 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -26.045 28.078 -14.440 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -24.867 26.795 -14.078 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -23.576 28.233 -11.731 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -22.699 27.367 -13.015 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -22.300 29.063 -12.654 1.00 0.00 H new ATOM 870 N CYS A 57 -20.398 30.108 -14.201 1.00 0.00 N ATOM 871 CA CYS A 57 -18.968 29.852 -14.009 1.00 0.00 C ATOM 872 C CYS A 57 -18.690 28.586 -13.187 1.00 0.00 C ATOM 873 O CYS A 57 -19.563 28.081 -12.476 1.00 0.00 O ATOM 874 CB CYS A 57 -18.345 31.080 -13.346 1.00 0.00 C ATOM 875 SG CYS A 57 -18.317 32.445 -14.526 1.00 0.00 S ATOM 0 H CYS A 57 -20.815 30.621 -13.424 1.00 0.00 H new ATOM 0 HA CYS A 57 -18.517 29.673 -14.985 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -18.918 31.360 -12.462 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -17.333 30.853 -13.011 1.00 0.00 H new ATOM 0 HG CYS A 57 -17.790 33.493 -13.965 1.00 0.00 H new ATOM 881 N ARG A 58 -17.438 28.104 -13.219 1.00 0.00 N ATOM 882 CA ARG A 58 -17.026 26.842 -12.569 1.00 0.00 C ATOM 883 C ARG A 58 -17.046 26.882 -11.031 1.00 0.00 C ATOM 884 O ARG A 58 -17.040 25.822 -10.404 1.00 0.00 O ATOM 885 CB ARG A 58 -15.654 26.371 -13.088 1.00 0.00 C ATOM 886 CG ARG A 58 -15.566 26.270 -14.621 1.00 0.00 C ATOM 887 CD ARG A 58 -14.216 25.705 -15.094 1.00 0.00 C ATOM 888 NE ARG A 58 -14.009 24.301 -14.679 1.00 0.00 N ATOM 889 CZ ARG A 58 -14.453 23.211 -15.281 1.00 0.00 C ATOM 890 NH1 ARG A 58 -15.171 23.255 -16.369 1.00 0.00 N ATOM 891 NH2 ARG A 58 -14.180 22.034 -14.793 1.00 0.00 N ATOM 0 H ARG A 58 -16.674 28.580 -13.699 1.00 0.00 H new ATOM 0 HA ARG A 58 -17.786 26.114 -12.852 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -14.887 27.061 -12.735 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -15.429 25.396 -12.656 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -16.372 25.634 -14.987 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -15.716 27.258 -15.057 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -14.160 25.771 -16.181 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -13.409 26.320 -14.695 1.00 0.00 H new ATOM 0 HE ARG A 58 -13.461 24.157 -13.831 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -15.410 24.155 -16.787 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -15.494 22.390 -16.802 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -13.622 21.951 -13.943 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -14.525 21.196 -15.261 1.00 0.00 H new ATOM 905 N ASN A 59 -17.143 28.069 -10.416 1.00 0.00 N ATOM 906 CA ASN A 59 -17.417 28.204 -8.975 1.00 0.00 C ATOM 907 C ASN A 59 -18.864 27.772 -8.600 1.00 0.00 C ATOM 908 O ASN A 59 -19.168 27.475 -7.444 1.00 0.00 O ATOM 909 CB ASN A 59 -17.159 29.669 -8.582 1.00 0.00 C ATOM 910 CG ASN A 59 -17.418 30.023 -7.121 1.00 0.00 C ATOM 911 OD1 ASN A 59 -17.288 29.220 -6.208 1.00 0.00 O ATOM 912 ND2 ASN A 59 -17.764 31.263 -6.856 1.00 0.00 N ATOM 0 H ASN A 59 -17.035 28.960 -10.900 1.00 0.00 H new ATOM 0 HA ASN A 59 -16.756 27.536 -8.423 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -16.122 29.910 -8.816 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -17.783 30.308 -9.207 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -17.923 31.553 -5.891 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -17.873 31.935 -7.615 1.00 0.00 H new ATOM 919 N GLY A 60 -19.754 27.686 -9.591 1.00 0.00 N ATOM 920 CA GLY A 60 -21.180 27.365 -9.432 1.00 0.00 C ATOM 921 C GLY A 60 -22.081 28.598 -9.278 1.00 0.00 C ATOM 922 O GLY A 60 -23.225 28.468 -8.839 1.00 0.00 O ATOM 0 H GLY A 60 -19.494 27.844 -10.565 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -21.512 26.790 -10.297 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -21.303 26.725 -8.558 1.00 0.00 H new ATOM 926 N MET A 61 -21.577 29.788 -9.633 1.00 0.00 N ATOM 927 CA MET A 61 -22.304 31.061 -9.625 1.00 0.00 C ATOM 928 C MET A 61 -22.444 31.638 -11.040 1.00 0.00 C ATOM 929 O MET A 61 -21.574 31.448 -11.891 1.00 0.00 O ATOM 930 CB MET A 61 -21.593 32.037 -8.671 1.00 0.00 C ATOM 931 CG MET A 61 -22.388 33.321 -8.389 1.00 0.00 C ATOM 932 SD MET A 61 -24.096 33.071 -7.822 1.00 0.00 S ATOM 933 CE MET A 61 -24.673 34.789 -7.791 1.00 0.00 C ATOM 0 H MET A 61 -20.612 29.892 -9.946 1.00 0.00 H new ATOM 0 HA MET A 61 -23.319 30.895 -9.265 1.00 0.00 H new ATOM 0 HB2 MET A 61 -21.396 31.529 -7.727 1.00 0.00 H new ATOM 0 HB3 MET A 61 -20.626 32.306 -9.096 1.00 0.00 H new ATOM 0 HG2 MET A 61 -21.854 33.901 -7.636 1.00 0.00 H new ATOM 0 HG3 MET A 61 -22.409 33.922 -9.298 1.00 0.00 H new ATOM 0 HE1 MET A 61 -25.727 34.814 -7.514 1.00 0.00 H new ATOM 0 HE2 MET A 61 -24.093 35.355 -7.062 1.00 0.00 H new ATOM 0 HE3 MET A 61 -24.547 35.233 -8.778 1.00 0.00 H new ATOM 943 N GLU A 62 -23.523 32.379 -11.292 1.00 0.00 N ATOM 944 CA GLU A 62 -23.716 33.140 -12.531 1.00 0.00 C ATOM 945 C GLU A 62 -22.674 34.267 -12.629 1.00 0.00 C ATOM 946 O GLU A 62 -22.704 35.234 -11.863 1.00 0.00 O ATOM 947 CB GLU A 62 -25.149 33.690 -12.608 1.00 0.00 C ATOM 948 CG GLU A 62 -26.188 32.570 -12.762 1.00 0.00 C ATOM 949 CD GLU A 62 -27.612 33.147 -12.877 1.00 0.00 C ATOM 950 OE1 GLU A 62 -28.275 33.357 -11.831 1.00 0.00 O ATOM 951 OE2 GLU A 62 -28.085 33.389 -14.014 1.00 0.00 O ATOM 0 H GLU A 62 -24.298 32.470 -10.635 1.00 0.00 H new ATOM 0 HA GLU A 62 -23.572 32.474 -13.382 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -25.366 34.264 -11.707 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -25.229 34.377 -13.451 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -25.960 31.977 -13.648 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -26.133 31.898 -11.906 1.00 0.00 H new ATOM 958 N GLY A 63 -21.731 34.123 -13.561 1.00 0.00 N ATOM 959 CA GLY A 63 -20.715 35.124 -13.871 1.00 0.00 C ATOM 960 C GLY A 63 -21.214 36.162 -14.880 1.00 0.00 C ATOM 961 O GLY A 63 -21.989 35.833 -15.779 1.00 0.00 O ATOM 0 H GLY A 63 -21.653 33.284 -14.135 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -20.412 35.628 -12.953 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -19.829 34.629 -14.270 1.00 0.00 H new ATOM 965 N THR A 64 -20.730 37.403 -14.789 1.00 0.00 N ATOM 966 CA THR A 64 -21.017 38.466 -15.771 1.00 0.00 C ATOM 967 C THR A 64 -19.810 38.755 -16.658 1.00 0.00 C ATOM 968 O THR A 64 -18.683 38.783 -16.168 1.00 0.00 O ATOM 969 CB THR A 64 -21.481 39.761 -15.088 1.00 0.00 C ATOM 970 OG1 THR A 64 -22.618 39.510 -14.286 1.00 0.00 O ATOM 971 CG2 THR A 64 -21.869 40.859 -16.083 1.00 0.00 C ATOM 0 H THR A 64 -20.123 37.707 -14.028 1.00 0.00 H new ATOM 0 HA THR A 64 -21.828 38.096 -16.398 1.00 0.00 H new ATOM 0 HB THR A 64 -20.632 40.102 -14.496 1.00 0.00 H new ATOM 0 HG1 THR A 64 -22.904 40.342 -13.854 1.00 0.00 H new ATOM 0 HG21 THR A 64 -22.188 41.748 -15.538 1.00 0.00 H new ATOM 0 HG22 THR A 64 -21.010 41.105 -16.707 1.00 0.00 H new ATOM 0 HG23 THR A 64 -22.686 40.507 -16.713 1.00 0.00 H new ATOM 979 N LEU A 65 -20.046 38.939 -17.959 1.00 0.00 N ATOM 980 CA LEU A 65 -19.027 39.069 -19.004 1.00 0.00 C ATOM 981 C LEU A 65 -18.094 40.275 -18.753 1.00 0.00 C ATOM 982 O LEU A 65 -18.550 41.420 -18.707 1.00 0.00 O ATOM 983 CB LEU A 65 -19.777 39.123 -20.352 1.00 0.00 C ATOM 984 CG LEU A 65 -18.988 38.925 -21.664 1.00 0.00 C ATOM 985 CD1 LEU A 65 -19.920 39.276 -22.828 1.00 0.00 C ATOM 986 CD2 LEU A 65 -17.720 39.761 -21.831 1.00 0.00 C ATOM 0 H LEU A 65 -20.994 39.004 -18.329 1.00 0.00 H new ATOM 0 HA LEU A 65 -18.349 38.216 -19.007 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -20.559 38.364 -20.322 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -20.274 40.091 -20.412 1.00 0.00 H new ATOM 0 HG LEU A 65 -18.656 37.887 -21.642 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -19.389 39.145 -23.771 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -20.790 38.620 -22.808 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -20.244 40.312 -22.735 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -17.257 39.532 -22.791 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -17.975 40.820 -21.795 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -17.022 39.528 -21.027 1.00 0.00 H new ATOM 998 N ILE A 66 -16.789 40.015 -18.621 1.00 0.00 N ATOM 999 CA ILE A 66 -15.702 41.007 -18.527 1.00 0.00 C ATOM 1000 C ILE A 66 -14.553 40.627 -19.469 1.00 0.00 C ATOM 1001 O ILE A 66 -14.373 39.452 -19.776 1.00 0.00 O ATOM 1002 CB ILE A 66 -15.164 41.169 -17.081 1.00 0.00 C ATOM 1003 CG1 ILE A 66 -14.278 40.012 -16.557 1.00 0.00 C ATOM 1004 CG2 ILE A 66 -16.295 41.460 -16.087 1.00 0.00 C ATOM 1005 CD1 ILE A 66 -14.889 38.624 -16.573 1.00 0.00 C ATOM 0 H ILE A 66 -16.440 39.058 -18.574 1.00 0.00 H new ATOM 0 HA ILE A 66 -16.124 41.967 -18.826 1.00 0.00 H new ATOM 0 HB ILE A 66 -14.498 42.029 -17.152 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -13.364 39.988 -17.150 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -13.987 40.244 -15.532 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -15.880 41.567 -15.085 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -16.801 42.383 -16.371 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -17.009 40.637 -16.098 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -14.169 37.905 -16.182 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -15.785 38.614 -15.953 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -15.152 38.354 -17.596 1.00 0.00 H new ATOM 1017 N GLU A 67 -13.731 41.585 -19.897 1.00 0.00 N ATOM 1018 CA GLU A 67 -12.462 41.305 -20.574 1.00 0.00 C ATOM 1019 C GLU A 67 -11.344 42.260 -20.125 1.00 0.00 C ATOM 1020 O GLU A 67 -11.586 43.433 -19.828 1.00 0.00 O ATOM 1021 CB GLU A 67 -12.637 41.373 -22.100 1.00 0.00 C ATOM 1022 CG GLU A 67 -13.515 40.271 -22.716 1.00 0.00 C ATOM 1023 CD GLU A 67 -12.999 38.835 -22.474 1.00 0.00 C ATOM 1024 OE1 GLU A 67 -11.804 38.629 -22.144 1.00 0.00 O ATOM 1025 OE2 GLU A 67 -13.787 37.878 -22.653 1.00 0.00 O ATOM 0 H GLU A 67 -13.926 42.580 -19.784 1.00 0.00 H new ATOM 0 HA GLU A 67 -12.164 40.295 -20.293 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -13.067 42.341 -22.356 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -11.651 41.329 -22.563 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -14.522 40.356 -22.309 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -13.590 40.441 -23.790 1.00 0.00 H new ATOM 1032 N GLY A 68 -10.105 41.756 -20.102 1.00 0.00 N ATOM 1033 CA GLY A 68 -8.894 42.520 -19.747 1.00 0.00 C ATOM 1034 C GLY A 68 -8.420 43.536 -20.803 1.00 0.00 C ATOM 1035 O GLY A 68 -7.504 44.317 -20.542 1.00 0.00 O ATOM 0 H GLY A 68 -9.907 40.783 -20.335 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -9.081 43.052 -18.814 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -8.084 41.816 -19.556 1.00 0.00 H new ATOM 1039 N ASP A 69 -9.038 43.545 -21.986 1.00 0.00 N ATOM 1040 CA ASP A 69 -8.876 44.506 -23.071 1.00 0.00 C ATOM 1041 C ASP A 69 -10.222 44.605 -23.816 1.00 0.00 C ATOM 1042 O ASP A 69 -11.061 43.702 -23.740 1.00 0.00 O ATOM 1043 CB ASP A 69 -7.731 44.067 -24.001 1.00 0.00 C ATOM 1044 CG ASP A 69 -7.409 45.094 -25.103 1.00 0.00 C ATOM 1045 OD1 ASP A 69 -7.608 46.315 -24.884 1.00 0.00 O ATOM 1046 OD2 ASP A 69 -6.937 44.683 -26.190 1.00 0.00 O ATOM 0 H ASP A 69 -9.717 42.823 -22.225 1.00 0.00 H new ATOM 0 HA ASP A 69 -8.607 45.490 -22.687 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -6.835 43.892 -23.405 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -7.995 43.117 -24.466 1.00 0.00 H new ATOM 1051 N LEU A 70 -10.446 45.711 -24.515 1.00 0.00 N ATOM 1052 CA LEU A 70 -11.723 46.050 -25.151 1.00 0.00 C ATOM 1053 C LEU A 70 -12.125 45.008 -26.226 1.00 0.00 C ATOM 1054 O LEU A 70 -11.318 44.722 -27.119 1.00 0.00 O ATOM 1055 CB LEU A 70 -11.652 47.467 -25.750 1.00 0.00 C ATOM 1056 CG LEU A 70 -11.428 48.601 -24.729 1.00 0.00 C ATOM 1057 CD1 LEU A 70 -11.132 49.907 -25.467 1.00 0.00 C ATOM 1058 CD2 LEU A 70 -12.645 48.818 -23.827 1.00 0.00 C ATOM 0 H LEU A 70 -9.727 46.420 -24.662 1.00 0.00 H new ATOM 0 HA LEU A 70 -12.499 46.030 -24.386 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -10.845 47.495 -26.482 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -12.579 47.663 -26.289 1.00 0.00 H new ATOM 0 HG LEU A 70 -10.586 48.307 -24.103 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -10.974 50.706 -24.743 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -10.236 49.786 -26.075 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -11.975 50.161 -26.110 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -12.438 49.626 -23.126 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -13.509 49.080 -24.438 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -12.856 47.903 -23.274 1.00 0.00 H new ATOM 1070 N PRO A 71 -13.361 44.462 -26.197 1.00 0.00 N ATOM 1071 CA PRO A 71 -13.830 43.421 -27.122 1.00 0.00 C ATOM 1072 C PRO A 71 -14.304 44.017 -28.465 1.00 0.00 C ATOM 1073 O PRO A 71 -15.450 43.843 -28.878 1.00 0.00 O ATOM 1074 CB PRO A 71 -14.918 42.675 -26.335 1.00 0.00 C ATOM 1075 CG PRO A 71 -15.563 43.797 -25.522 1.00 0.00 C ATOM 1076 CD PRO A 71 -14.369 44.680 -25.163 1.00 0.00 C ATOM 0 HA PRO A 71 -13.043 42.733 -27.429 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -15.635 42.188 -26.996 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -14.497 41.900 -25.695 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -16.309 44.340 -26.102 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -16.066 43.416 -24.634 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -14.662 45.729 -25.123 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -13.977 44.420 -24.180 1.00 0.00 H new ATOM 1084 N GLU A 72 -13.417 44.768 -29.129 1.00 0.00 N ATOM 1085 CA GLU A 72 -13.640 45.530 -30.367 1.00 0.00 C ATOM 1086 C GLU A 72 -15.004 46.273 -30.421 1.00 0.00 C ATOM 1087 O GLU A 72 -15.816 46.009 -31.316 1.00 0.00 O ATOM 1088 CB GLU A 72 -13.396 44.592 -31.559 1.00 0.00 C ATOM 1089 CG GLU A 72 -11.922 44.204 -31.747 1.00 0.00 C ATOM 1090 CD GLU A 72 -11.746 43.173 -32.882 1.00 0.00 C ATOM 1091 OE1 GLU A 72 -12.336 43.353 -33.977 1.00 0.00 O ATOM 1092 OE2 GLU A 72 -11.007 42.175 -32.693 1.00 0.00 O ATOM 0 H GLU A 72 -12.459 44.867 -28.794 1.00 0.00 H new ATOM 0 HA GLU A 72 -12.924 46.351 -30.406 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -13.987 43.686 -31.424 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -13.755 45.074 -32.469 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -11.336 45.096 -31.971 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -11.532 43.792 -30.816 1.00 0.00 H new ATOM 1099 N PRO A 73 -15.292 47.204 -29.481 1.00 0.00 N ATOM 1100 CA PRO A 73 -16.597 47.865 -29.330 1.00 0.00 C ATOM 1101 C PRO A 73 -16.820 49.000 -30.355 1.00 0.00 C ATOM 1102 O PRO A 73 -17.019 50.171 -30.018 1.00 0.00 O ATOM 1103 CB PRO A 73 -16.623 48.331 -27.872 1.00 0.00 C ATOM 1104 CG PRO A 73 -15.164 48.710 -27.630 1.00 0.00 C ATOM 1105 CD PRO A 73 -14.412 47.621 -28.393 1.00 0.00 C ATOM 0 HA PRO A 73 -17.427 47.191 -29.543 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -17.293 49.178 -27.727 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -16.956 47.542 -27.198 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -14.934 49.705 -28.010 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -14.914 48.709 -26.569 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -13.466 48.000 -28.781 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -14.175 46.781 -27.740 1.00 0.00 H new ATOM 1113 N LYS A 74 -16.779 48.625 -31.635 1.00 0.00 N ATOM 1114 CA LYS A 74 -16.880 49.491 -32.828 1.00 0.00 C ATOM 1115 C LYS A 74 -17.910 49.000 -33.863 1.00 0.00 C ATOM 1116 O LYS A 74 -18.298 49.759 -34.753 1.00 0.00 O ATOM 1117 CB LYS A 74 -15.457 49.603 -33.419 1.00 0.00 C ATOM 1118 CG LYS A 74 -15.338 50.572 -34.607 1.00 0.00 C ATOM 1119 CD LYS A 74 -13.871 50.780 -35.006 1.00 0.00 C ATOM 1120 CE LYS A 74 -13.781 51.741 -36.198 1.00 0.00 C ATOM 1121 NZ LYS A 74 -12.371 51.971 -36.613 1.00 0.00 N ATOM 0 H LYS A 74 -16.667 47.644 -31.891 1.00 0.00 H new ATOM 0 HA LYS A 74 -17.258 50.471 -32.537 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -14.774 49.925 -32.633 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -15.130 48.613 -33.739 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -15.897 50.181 -35.457 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -15.786 51.530 -34.345 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -13.310 51.181 -34.162 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -13.417 49.823 -35.265 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -14.346 51.334 -37.037 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -14.243 52.692 -35.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -12.349 52.625 -37.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -11.838 52.382 -35.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -11.938 51.066 -36.889 1.00 0.00 H new ATOM 1135 N LYS A 75 -18.356 47.740 -33.765 1.00 0.00 N ATOM 1136 CA LYS A 75 -19.164 47.054 -34.795 1.00 0.00 C ATOM 1137 C LYS A 75 -20.522 47.738 -35.018 1.00 0.00 C ATOM 1138 O LYS A 75 -21.218 48.083 -34.059 1.00 0.00 O ATOM 1139 CB LYS A 75 -19.356 45.556 -34.462 1.00 0.00 C ATOM 1140 CG LYS A 75 -18.100 44.814 -33.972 1.00 0.00 C ATOM 1141 CD LYS A 75 -17.040 44.610 -35.063 1.00 0.00 C ATOM 1142 CE LYS A 75 -15.790 43.990 -34.427 1.00 0.00 C ATOM 1143 NZ LYS A 75 -14.677 43.853 -35.401 1.00 0.00 N ATOM 0 H LYS A 75 -18.164 47.153 -32.953 1.00 0.00 H new ATOM 0 HA LYS A 75 -18.604 47.126 -35.727 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -20.128 45.469 -33.698 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -19.730 45.050 -35.352 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -17.657 45.373 -33.147 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -18.394 43.842 -33.577 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -17.426 43.960 -35.848 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -16.792 45.562 -35.532 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -15.465 44.608 -33.590 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -16.039 43.009 -34.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -13.779 43.742 -34.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -14.840 43.018 -35.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -14.632 44.703 -35.999 1.00 0.00 H new ATOM 1157 N VAL A 76 -20.902 47.912 -36.285 1.00 0.00 N ATOM 1158 CA VAL A 76 -22.188 48.514 -36.694 1.00 0.00 C ATOM 1159 C VAL A 76 -23.389 47.601 -36.401 1.00 0.00 C ATOM 1160 O VAL A 76 -23.258 46.374 -36.350 1.00 0.00 O ATOM 1161 CB VAL A 76 -22.178 48.956 -38.173 1.00 0.00 C ATOM 1162 CG1 VAL A 76 -21.155 50.075 -38.403 1.00 0.00 C ATOM 1163 CG2 VAL A 76 -21.888 47.813 -39.155 1.00 0.00 C ATOM 0 H VAL A 76 -20.320 47.636 -37.076 1.00 0.00 H new ATOM 0 HA VAL A 76 -22.307 49.407 -36.081 1.00 0.00 H new ATOM 0 HB VAL A 76 -23.188 49.314 -38.373 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -21.167 50.369 -39.453 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -21.410 50.934 -37.783 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -20.160 49.718 -38.138 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -21.897 48.198 -40.175 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -20.909 47.386 -38.937 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -22.652 47.042 -39.052 1.00 0.00 H new ATOM 1173 N LYS A 77 -24.570 48.205 -36.215 1.00 0.00 N ATOM 1174 CA LYS A 77 -25.850 47.532 -35.921 1.00 0.00 C ATOM 1175 C LYS A 77 -27.014 48.287 -36.596 1.00 0.00 C ATOM 1176 O LYS A 77 -27.033 49.520 -36.513 1.00 0.00 O ATOM 1177 CB LYS A 77 -26.018 47.471 -34.388 1.00 0.00 C ATOM 1178 CG LYS A 77 -27.229 46.640 -33.929 1.00 0.00 C ATOM 1179 CD LYS A 77 -27.427 46.659 -32.404 1.00 0.00 C ATOM 1180 CE LYS A 77 -26.266 46.065 -31.591 1.00 0.00 C ATOM 1181 NZ LYS A 77 -26.111 44.600 -31.804 1.00 0.00 N ATOM 0 H LYS A 77 -24.668 49.219 -36.267 1.00 0.00 H new ATOM 0 HA LYS A 77 -25.855 46.518 -36.320 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -25.113 47.051 -33.949 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -26.118 48.485 -34.002 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -28.129 47.022 -34.412 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -27.102 45.609 -34.261 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -27.584 47.690 -32.086 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -28.337 46.110 -32.164 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -25.339 46.569 -31.866 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -26.432 46.259 -30.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -25.315 44.249 -31.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -26.984 44.113 -31.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -25.925 44.413 -32.810 1.00 0.00 H new ATOM 1195 N PRO A 78 -27.987 47.606 -37.238 1.00 0.00 N ATOM 1196 CA PRO A 78 -29.111 48.268 -37.907 1.00 0.00 C ATOM 1197 C PRO A 78 -29.962 49.114 -36.933 1.00 0.00 C ATOM 1198 O PRO A 78 -30.069 48.762 -35.752 1.00 0.00 O ATOM 1199 CB PRO A 78 -29.925 47.148 -38.569 1.00 0.00 C ATOM 1200 CG PRO A 78 -29.571 45.910 -37.745 1.00 0.00 C ATOM 1201 CD PRO A 78 -28.111 46.161 -37.376 1.00 0.00 C ATOM 0 HA PRO A 78 -28.756 48.985 -38.648 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -30.994 47.358 -38.538 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -29.655 47.022 -39.618 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -30.202 45.817 -36.861 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -29.692 44.992 -38.320 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -27.848 45.654 -36.447 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -27.441 45.781 -38.147 1.00 0.00 H new ATOM 1209 N PRO A 79 -30.576 50.224 -37.395 1.00 0.00 N ATOM 1210 CA PRO A 79 -30.692 50.659 -38.796 1.00 0.00 C ATOM 1211 C PRO A 79 -29.470 51.424 -39.356 1.00 0.00 C ATOM 1212 O PRO A 79 -29.488 51.814 -40.528 1.00 0.00 O ATOM 1213 CB PRO A 79 -31.953 51.533 -38.811 1.00 0.00 C ATOM 1214 CG PRO A 79 -31.920 52.200 -37.437 1.00 0.00 C ATOM 1215 CD PRO A 79 -31.395 51.079 -36.542 1.00 0.00 C ATOM 0 HA PRO A 79 -30.745 49.790 -39.452 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -31.927 52.266 -39.617 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -32.856 50.938 -38.950 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -31.265 53.071 -37.424 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -32.908 52.539 -37.126 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -30.808 51.483 -35.717 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -32.218 50.515 -36.102 1.00 0.00 H new ATOM 1223 N ARG A 80 -28.420 51.653 -38.552 1.00 0.00 N ATOM 1224 CA ARG A 80 -27.193 52.373 -38.955 1.00 0.00 C ATOM 1225 C ARG A 80 -26.330 51.576 -39.948 1.00 0.00 C ATOM 1226 O ARG A 80 -25.766 52.210 -40.869 1.00 0.00 O ATOM 1227 CB ARG A 80 -26.372 52.787 -37.717 1.00 0.00 C ATOM 1228 CG ARG A 80 -27.123 53.671 -36.703 1.00 0.00 C ATOM 1229 CD ARG A 80 -27.387 55.084 -37.243 1.00 0.00 C ATOM 1230 NE ARG A 80 -28.061 55.934 -36.242 1.00 0.00 N ATOM 1231 CZ ARG A 80 -27.495 56.676 -35.308 1.00 0.00 C ATOM 1232 NH1 ARG A 80 -26.204 56.739 -35.150 1.00 0.00 N ATOM 1233 NH2 ARG A 80 -28.231 57.379 -34.497 1.00 0.00 N ATOM 1234 OXT ARG A 80 -26.209 50.338 -39.804 1.00 0.00 O ATOM 0 H ARG A 80 -28.396 51.338 -37.582 1.00 0.00 H new ATOM 0 HA ARG A 80 -27.515 53.272 -39.480 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -26.031 51.886 -37.208 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -25.482 53.320 -38.052 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -28.072 53.200 -36.446 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -26.542 53.739 -35.783 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -26.443 55.544 -37.535 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -28.002 55.021 -38.141 1.00 0.00 H new ATOM 0 HE ARG A 80 -29.080 55.950 -36.276 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -25.589 56.202 -35.761 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -25.808 57.325 -34.415 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -29.247 57.357 -34.582 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -27.792 57.952 -33.776 1.00 0.00 H new TER 1248 ARG A 80