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 Set 1.1: A 35 THR OG1 : rot -63:sc= 0.322 USER MOD Set 1.2: A 37 ASN : amide:sc= 0.159 K(o=-0.5,f=0.43) USER MOD Set 1.3: A 59 ASN : amide:sc= -0.978 K(o=-0.5,f=1.2) USER MOD Single : A 1 SER N :NH3+ 149:sc= 0.0497 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0.0347 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 30:sc= 0.21 USER MOD Single : A 19 THR OG1 : rot 130:sc= 0.0911 USER MOD Single : A 22 ASN : amide:sc=-0.00279 K(o=-0.0028,f=-1.7) USER MOD Single : A 23 HIS : no HD1:sc= 0.244 K(o=0.24,f=-3.5!) USER MOD Single : A 29 GLN : amide:sc= 0.704 K(o=0.7,f=0.00044) USER MOD Single : A 33 TYR OH : rot -165:sc= 0.488 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 CYS SG : rot 180:sc= -1.39 USER MOD Single : A 61 MET CE :methyl 176:sc= 0 (180deg=-0.0163) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ -173:sc= 1.24 (180deg=1.2) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 15.797 22.450 -61.205 1.00 0.00 N ATOM 2 CA SER A 1 14.768 21.386 -61.147 1.00 0.00 C ATOM 3 C SER A 1 15.358 20.021 -61.504 1.00 0.00 C ATOM 4 O SER A 1 16.247 19.942 -62.353 1.00 0.00 O ATOM 5 CB SER A 1 13.596 21.702 -62.082 1.00 0.00 C ATOM 6 OG SER A 1 13.125 23.012 -61.818 1.00 0.00 O ATOM 0 H1 SER A 1 15.352 23.348 -61.481 1.00 0.00 H new ATOM 0 H2 SER A 1 16.240 22.556 -60.270 1.00 0.00 H new ATOM 0 H3 SER A 1 16.523 22.193 -61.904 1.00 0.00 H new ATOM 0 HA SER A 1 14.401 21.349 -60.121 1.00 0.00 H new ATOM 0 HB2 SER A 1 13.913 21.620 -63.122 1.00 0.00 H new ATOM 0 HB3 SER A 1 12.794 20.979 -61.935 1.00 0.00 H new ATOM 0 HG SER A 1 12.376 23.217 -62.416 1.00 0.00 H new ATOM 14 N MET A 2 14.911 18.908 -60.915 1.00 0.00 N ATOM 15 CA MET A 2 13.917 18.761 -59.832 1.00 0.00 C ATOM 16 C MET A 2 14.613 18.585 -58.460 1.00 0.00 C ATOM 17 O MET A 2 15.751 18.115 -58.397 1.00 0.00 O ATOM 18 CB MET A 2 12.998 17.561 -60.137 1.00 0.00 C ATOM 19 CG MET A 2 11.920 17.859 -61.190 1.00 0.00 C ATOM 20 SD MET A 2 12.497 18.087 -62.897 1.00 0.00 S ATOM 21 CE MET A 2 10.906 18.401 -63.709 1.00 0.00 C ATOM 0 H MET A 2 15.266 17.997 -61.208 1.00 0.00 H new ATOM 0 HA MET A 2 13.315 19.668 -59.781 1.00 0.00 H new ATOM 0 HB2 MET A 2 13.608 16.726 -60.481 1.00 0.00 H new ATOM 0 HB3 MET A 2 12.513 17.242 -59.214 1.00 0.00 H new ATOM 0 HG2 MET A 2 11.198 17.042 -61.180 1.00 0.00 H new ATOM 0 HG3 MET A 2 11.386 18.760 -60.887 1.00 0.00 H new ATOM 0 HE1 MET A 2 11.067 18.565 -64.774 1.00 0.00 H new ATOM 0 HE2 MET A 2 10.250 17.541 -63.570 1.00 0.00 H new ATOM 0 HE3 MET A 2 10.443 19.285 -63.272 1.00 0.00 H new ATOM 31 N ALA A 3 13.987 18.918 -57.327 1.00 0.00 N ATOM 32 CA ALA A 3 12.648 19.498 -57.153 1.00 0.00 C ATOM 33 C ALA A 3 12.573 21.001 -57.521 1.00 0.00 C ATOM 34 O ALA A 3 13.571 21.615 -57.907 1.00 0.00 O ATOM 35 CB ALA A 3 12.230 19.238 -55.698 1.00 0.00 C ATOM 0 H ALA A 3 14.444 18.776 -56.426 1.00 0.00 H new ATOM 0 HA ALA A 3 11.955 19.021 -57.847 1.00 0.00 H new ATOM 0 HB1 ALA A 3 11.238 19.654 -55.525 1.00 0.00 H new ATOM 0 HB2 ALA A 3 12.211 18.164 -55.511 1.00 0.00 H new ATOM 0 HB3 ALA A 3 12.944 19.711 -55.024 1.00 0.00 H new ATOM 41 N ASP A 4 11.378 21.587 -57.421 1.00 0.00 N ATOM 42 CA ASP A 4 11.097 23.011 -57.665 1.00 0.00 C ATOM 43 C ASP A 4 10.063 23.562 -56.657 1.00 0.00 C ATOM 44 O ASP A 4 9.309 22.798 -56.042 1.00 0.00 O ATOM 45 CB ASP A 4 10.623 23.189 -59.119 1.00 0.00 C ATOM 46 CG ASP A 4 10.513 24.662 -59.562 1.00 0.00 C ATOM 47 OD1 ASP A 4 11.218 25.533 -58.996 1.00 0.00 O ATOM 48 OD2 ASP A 4 9.716 24.952 -60.488 1.00 0.00 O ATOM 0 H ASP A 4 10.543 21.064 -57.157 1.00 0.00 H new ATOM 0 HA ASP A 4 12.011 23.587 -57.518 1.00 0.00 H new ATOM 0 HB2 ASP A 4 11.315 22.670 -59.783 1.00 0.00 H new ATOM 0 HB3 ASP A 4 9.650 22.711 -59.235 1.00 0.00 H new ATOM 53 N ARG A 5 10.025 24.888 -56.474 1.00 0.00 N ATOM 54 CA ARG A 5 9.130 25.577 -55.526 1.00 0.00 C ATOM 55 C ARG A 5 7.671 25.578 -56.002 1.00 0.00 C ATOM 56 O ARG A 5 7.392 25.664 -57.200 1.00 0.00 O ATOM 57 CB ARG A 5 9.628 27.011 -55.264 1.00 0.00 C ATOM 58 CG ARG A 5 10.995 27.039 -54.561 1.00 0.00 C ATOM 59 CD ARG A 5 11.433 28.482 -54.273 1.00 0.00 C ATOM 60 NE ARG A 5 12.766 28.534 -53.635 1.00 0.00 N ATOM 61 CZ ARG A 5 13.049 28.436 -52.346 1.00 0.00 C ATOM 62 NH1 ARG A 5 12.130 28.246 -51.441 1.00 0.00 N ATOM 63 NH2 ARG A 5 14.282 28.528 -51.935 1.00 0.00 N ATOM 0 H ARG A 5 10.628 25.529 -56.991 1.00 0.00 H new ATOM 0 HA ARG A 5 9.154 25.021 -54.589 1.00 0.00 H new ATOM 0 HB2 ARG A 5 9.699 27.547 -56.211 1.00 0.00 H new ATOM 0 HB3 ARG A 5 8.897 27.540 -54.652 1.00 0.00 H new ATOM 0 HG2 ARG A 5 10.940 26.478 -53.628 1.00 0.00 H new ATOM 0 HG3 ARG A 5 11.740 26.546 -55.186 1.00 0.00 H new ATOM 0 HD2 ARG A 5 11.453 29.048 -55.204 1.00 0.00 H new ATOM 0 HD3 ARG A 5 10.700 28.962 -53.624 1.00 0.00 H new ATOM 0 HE ARG A 5 13.561 28.660 -54.262 1.00 0.00 H new ATOM 0 HH11 ARG A 5 11.151 28.167 -51.717 1.00 0.00 H new ATOM 0 HH12 ARG A 5 12.390 28.176 -50.457 1.00 0.00 H new ATOM 0 HH21 ARG A 5 15.034 28.676 -52.608 1.00 0.00 H new ATOM 0 HH22 ARG A 5 14.495 28.452 -50.940 1.00 0.00 H new ATOM 77 N VAL A 6 6.743 25.514 -55.044 1.00 0.00 N ATOM 78 CA VAL A 6 5.286 25.483 -55.241 1.00 0.00 C ATOM 79 C VAL A 6 4.557 26.367 -54.222 1.00 0.00 C ATOM 80 O VAL A 6 5.080 26.656 -53.141 1.00 0.00 O ATOM 81 CB VAL A 6 4.744 24.040 -55.156 1.00 0.00 C ATOM 82 CG1 VAL A 6 5.187 23.194 -56.355 1.00 0.00 C ATOM 83 CG2 VAL A 6 5.126 23.304 -53.864 1.00 0.00 C ATOM 0 H VAL A 6 6.998 25.481 -54.057 1.00 0.00 H new ATOM 0 HA VAL A 6 5.094 25.877 -56.239 1.00 0.00 H new ATOM 0 HB VAL A 6 3.660 24.158 -55.161 1.00 0.00 H new ATOM 0 HG11 VAL A 6 4.785 22.186 -56.257 1.00 0.00 H new ATOM 0 HG12 VAL A 6 4.816 23.645 -57.275 1.00 0.00 H new ATOM 0 HG13 VAL A 6 6.276 23.149 -56.386 1.00 0.00 H new ATOM 0 HG21 VAL A 6 4.708 22.298 -53.881 1.00 0.00 H new ATOM 0 HG22 VAL A 6 6.212 23.244 -53.787 1.00 0.00 H new ATOM 0 HG23 VAL A 6 4.730 23.847 -53.006 1.00 0.00 H new ATOM 93 N LEU A 7 3.330 26.778 -54.554 1.00 0.00 N ATOM 94 CA LEU A 7 2.417 27.475 -53.639 1.00 0.00 C ATOM 95 C LEU A 7 1.791 26.508 -52.615 1.00 0.00 C ATOM 96 O LEU A 7 1.659 25.305 -52.868 1.00 0.00 O ATOM 97 CB LEU A 7 1.330 28.211 -54.448 1.00 0.00 C ATOM 98 CG LEU A 7 1.846 29.314 -55.392 1.00 0.00 C ATOM 99 CD1 LEU A 7 0.662 29.942 -56.131 1.00 0.00 C ATOM 100 CD2 LEU A 7 2.595 30.430 -54.660 1.00 0.00 C ATOM 0 H LEU A 7 2.935 26.634 -55.483 1.00 0.00 H new ATOM 0 HA LEU A 7 2.991 28.208 -53.072 1.00 0.00 H new ATOM 0 HB2 LEU A 7 0.781 27.478 -55.039 1.00 0.00 H new ATOM 0 HB3 LEU A 7 0.620 28.655 -53.751 1.00 0.00 H new ATOM 0 HG LEU A 7 2.545 28.836 -56.078 1.00 0.00 H new ATOM 0 HD11 LEU A 7 1.023 30.723 -56.800 1.00 0.00 H new ATOM 0 HD12 LEU A 7 0.148 29.176 -56.712 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -0.030 30.375 -55.408 1.00 0.00 H new ATOM 0 HD21 LEU A 7 2.932 31.175 -55.380 1.00 0.00 H new ATOM 0 HD22 LEU A 7 1.930 30.901 -53.936 1.00 0.00 H new ATOM 0 HD23 LEU A 7 3.457 30.010 -54.141 1.00 0.00 H new ATOM 112 N ARG A 8 1.378 27.046 -51.462 1.00 0.00 N ATOM 113 CA ARG A 8 0.679 26.318 -50.387 1.00 0.00 C ATOM 114 C ARG A 8 -0.825 26.207 -50.666 1.00 0.00 C ATOM 115 O ARG A 8 -1.439 27.153 -51.159 1.00 0.00 O ATOM 116 CB ARG A 8 0.978 27.007 -49.041 1.00 0.00 C ATOM 117 CG ARG A 8 0.310 26.356 -47.821 1.00 0.00 C ATOM 118 CD ARG A 8 0.695 27.103 -46.537 1.00 0.00 C ATOM 119 NE ARG A 8 -0.336 26.976 -45.493 1.00 0.00 N ATOM 120 CZ ARG A 8 -0.602 25.948 -44.714 1.00 0.00 C ATOM 121 NH1 ARG A 8 -0.017 24.792 -44.815 1.00 0.00 N ATOM 122 NH2 ARG A 8 -1.478 26.085 -43.770 1.00 0.00 N ATOM 0 H ARG A 8 1.524 28.031 -51.240 1.00 0.00 H new ATOM 0 HA ARG A 8 1.048 25.293 -50.342 1.00 0.00 H new ATOM 0 HB2 ARG A 8 2.057 27.016 -48.885 1.00 0.00 H new ATOM 0 HB3 ARG A 8 0.656 28.047 -49.102 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -0.773 26.365 -47.944 1.00 0.00 H new ATOM 0 HG3 ARG A 8 0.613 25.312 -47.746 1.00 0.00 H new ATOM 0 HD2 ARG A 8 1.641 26.713 -46.161 1.00 0.00 H new ATOM 0 HD3 ARG A 8 0.852 28.157 -46.765 1.00 0.00 H new ATOM 0 HE ARG A 8 -0.925 27.797 -45.354 1.00 0.00 H new ATOM 0 HH11 ARG A 8 0.695 24.641 -45.530 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -0.269 24.035 -44.179 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -1.950 26.979 -43.639 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -1.695 25.299 -43.158 1.00 0.00 H new ATOM 136 N GLY A 9 -1.418 25.078 -50.274 1.00 0.00 N ATOM 137 CA GLY A 9 -2.869 24.882 -50.156 1.00 0.00 C ATOM 138 C GLY A 9 -3.311 24.834 -48.682 1.00 0.00 C ATOM 139 O GLY A 9 -3.228 23.777 -48.060 1.00 0.00 O ATOM 0 H GLY A 9 -0.886 24.245 -50.021 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -3.390 25.691 -50.667 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -3.154 23.955 -50.653 1.00 0.00 H new ATOM 143 N SER A 10 -3.773 25.928 -48.065 1.00 0.00 N ATOM 144 CA SER A 10 -3.902 27.291 -48.620 1.00 0.00 C ATOM 145 C SER A 10 -3.705 28.402 -47.578 1.00 0.00 C ATOM 146 O SER A 10 -2.971 29.360 -47.830 1.00 0.00 O ATOM 147 CB SER A 10 -5.275 27.458 -49.291 1.00 0.00 C ATOM 148 OG SER A 10 -6.330 27.179 -48.380 1.00 0.00 O ATOM 0 H SER A 10 -4.090 25.887 -47.096 1.00 0.00 H new ATOM 0 HA SER A 10 -3.100 27.398 -49.351 1.00 0.00 H new ATOM 0 HB2 SER A 10 -5.377 28.475 -49.669 1.00 0.00 H new ATOM 0 HB3 SER A 10 -5.347 26.791 -50.150 1.00 0.00 H new ATOM 0 HG SER A 10 -7.192 27.294 -48.832 1.00 0.00 H new ATOM 154 N ARG A 11 -4.330 28.291 -46.398 1.00 0.00 N ATOM 155 CA ARG A 11 -4.395 29.377 -45.403 1.00 0.00 C ATOM 156 C ARG A 11 -3.041 29.689 -44.738 1.00 0.00 C ATOM 157 O ARG A 11 -2.295 28.765 -44.417 1.00 0.00 O ATOM 158 CB ARG A 11 -5.471 29.055 -44.352 1.00 0.00 C ATOM 159 CG ARG A 11 -6.897 29.231 -44.909 1.00 0.00 C ATOM 160 CD ARG A 11 -7.988 28.840 -43.901 1.00 0.00 C ATOM 161 NE ARG A 11 -7.937 29.658 -42.670 1.00 0.00 N ATOM 162 CZ ARG A 11 -7.406 29.314 -41.510 1.00 0.00 C ATOM 163 NH1 ARG A 11 -6.885 28.144 -41.282 1.00 0.00 N ATOM 164 NH2 ARG A 11 -7.361 30.139 -40.510 1.00 0.00 N ATOM 0 H ARG A 11 -4.809 27.440 -46.102 1.00 0.00 H new ATOM 0 HA ARG A 11 -4.668 30.285 -45.941 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -5.342 28.030 -44.004 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -5.338 29.704 -43.487 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -7.040 30.270 -45.205 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -7.007 28.625 -45.808 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -8.967 28.951 -44.368 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -7.877 27.788 -43.640 1.00 0.00 H new ATOM 0 HE ARG A 11 -8.356 30.586 -42.722 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -6.873 27.439 -42.019 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -6.488 27.932 -40.367 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -7.742 31.080 -40.608 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -6.945 29.846 -39.626 1.00 0.00 H new ATOM 178 N LEU A 12 -2.701 30.956 -44.477 1.00 0.00 N ATOM 179 CA LEU A 12 -3.453 32.181 -44.811 1.00 0.00 C ATOM 180 C LEU A 12 -3.045 32.774 -46.179 1.00 0.00 C ATOM 181 O LEU A 12 -3.910 33.232 -46.928 1.00 0.00 O ATOM 182 CB LEU A 12 -3.292 33.230 -43.684 1.00 0.00 C ATOM 183 CG LEU A 12 -4.075 33.012 -42.369 1.00 0.00 C ATOM 184 CD1 LEU A 12 -5.586 32.909 -42.593 1.00 0.00 C ATOM 185 CD2 LEU A 12 -3.620 31.794 -41.563 1.00 0.00 C ATOM 0 H LEU A 12 -1.831 31.173 -43.992 1.00 0.00 H new ATOM 0 HA LEU A 12 -4.504 31.904 -44.894 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -2.233 33.292 -43.435 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.582 34.200 -44.088 1.00 0.00 H new ATOM 0 HG LEU A 12 -3.849 33.906 -41.788 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -6.086 32.756 -41.637 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -5.950 33.829 -43.050 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -5.800 32.068 -43.252 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -4.220 31.713 -40.656 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -3.746 30.893 -42.163 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -2.570 31.907 -41.294 1.00 0.00 H new ATOM 197 N GLY A 13 -1.748 32.765 -46.513 1.00 0.00 N ATOM 198 CA GLY A 13 -1.176 33.513 -47.649 1.00 0.00 C ATOM 199 C GLY A 13 -0.924 32.733 -48.953 1.00 0.00 C ATOM 200 O GLY A 13 -0.322 33.288 -49.873 1.00 0.00 O ATOM 0 H GLY A 13 -1.052 32.230 -45.995 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -1.844 34.344 -47.877 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -0.229 33.945 -47.326 1.00 0.00 H new ATOM 204 N ALA A 14 -1.314 31.457 -49.035 1.00 0.00 N ATOM 205 CA ALA A 14 -0.952 30.503 -50.099 1.00 0.00 C ATOM 206 C ALA A 14 0.569 30.377 -50.371 1.00 0.00 C ATOM 207 O ALA A 14 1.006 29.992 -51.458 1.00 0.00 O ATOM 208 CB ALA A 14 -1.810 30.758 -51.348 1.00 0.00 C ATOM 0 H ALA A 14 -1.920 31.037 -48.330 1.00 0.00 H new ATOM 0 HA ALA A 14 -1.194 29.504 -49.735 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -1.536 30.049 -52.129 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -2.863 30.633 -51.098 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -1.640 31.774 -51.705 1.00 0.00 H new ATOM 214 N VAL A 15 1.375 30.593 -49.329 1.00 0.00 N ATOM 215 CA VAL A 15 2.822 30.371 -49.239 1.00 0.00 C ATOM 216 C VAL A 15 3.176 29.880 -47.839 1.00 0.00 C ATOM 217 O VAL A 15 2.420 30.092 -46.891 1.00 0.00 O ATOM 218 CB VAL A 15 3.616 31.652 -49.564 1.00 0.00 C ATOM 219 CG1 VAL A 15 3.555 31.993 -51.056 1.00 0.00 C ATOM 220 CG2 VAL A 15 3.189 32.885 -48.756 1.00 0.00 C ATOM 0 H VAL A 15 1.002 30.958 -48.453 1.00 0.00 H new ATOM 0 HA VAL A 15 3.096 29.617 -49.977 1.00 0.00 H new ATOM 0 HB VAL A 15 4.639 31.412 -49.273 1.00 0.00 H new ATOM 0 HG11 VAL A 15 4.126 32.902 -51.245 1.00 0.00 H new ATOM 0 HG12 VAL A 15 3.978 31.172 -51.635 1.00 0.00 H new ATOM 0 HG13 VAL A 15 2.517 32.149 -51.352 1.00 0.00 H new ATOM 0 HG21 VAL A 15 3.799 33.740 -49.048 1.00 0.00 H new ATOM 0 HG22 VAL A 15 2.139 33.103 -48.953 1.00 0.00 H new ATOM 0 HG23 VAL A 15 3.325 32.688 -47.693 1.00 0.00 H new ATOM 230 N SER A 16 4.314 29.206 -47.709 1.00 0.00 N ATOM 231 CA SER A 16 4.765 28.596 -46.455 1.00 0.00 C ATOM 232 C SER A 16 5.656 29.544 -45.638 1.00 0.00 C ATOM 233 O SER A 16 6.478 30.265 -46.210 1.00 0.00 O ATOM 234 CB SER A 16 5.496 27.288 -46.761 1.00 0.00 C ATOM 235 OG SER A 16 4.671 26.400 -47.503 1.00 0.00 O ATOM 0 H SER A 16 4.963 29.064 -48.483 1.00 0.00 H new ATOM 0 HA SER A 16 3.888 28.388 -45.842 1.00 0.00 H new ATOM 0 HB2 SER A 16 6.405 27.499 -47.324 1.00 0.00 H new ATOM 0 HB3 SER A 16 5.801 26.812 -45.829 1.00 0.00 H new ATOM 0 HG SER A 16 5.163 25.573 -47.687 1.00 0.00 H new ATOM 241 N TYR A 17 5.507 29.550 -44.306 1.00 0.00 N ATOM 242 CA TYR A 17 6.277 30.441 -43.406 1.00 0.00 C ATOM 243 C TYR A 17 6.403 29.960 -41.951 1.00 0.00 C ATOM 244 O TYR A 17 7.462 30.061 -41.332 1.00 0.00 O ATOM 245 CB TYR A 17 5.650 31.854 -43.428 1.00 0.00 C ATOM 246 CG TYR A 17 4.131 31.910 -43.299 1.00 0.00 C ATOM 247 CD1 TYR A 17 3.505 31.905 -42.035 1.00 0.00 C ATOM 248 CD2 TYR A 17 3.339 31.948 -44.462 1.00 0.00 C ATOM 249 CE1 TYR A 17 2.099 31.902 -41.938 1.00 0.00 C ATOM 250 CE2 TYR A 17 1.935 31.948 -44.372 1.00 0.00 C ATOM 251 CZ TYR A 17 1.309 31.912 -43.110 1.00 0.00 C ATOM 252 OH TYR A 17 -0.048 31.873 -43.027 1.00 0.00 O ATOM 0 H TYR A 17 4.852 28.941 -43.816 1.00 0.00 H new ATOM 0 HA TYR A 17 7.294 30.441 -43.798 1.00 0.00 H new ATOM 0 HB2 TYR A 17 6.086 32.437 -42.617 1.00 0.00 H new ATOM 0 HB3 TYR A 17 5.935 32.342 -44.360 1.00 0.00 H new ATOM 0 HD1 TYR A 17 4.106 31.903 -41.138 1.00 0.00 H new ATOM 0 HD2 TYR A 17 3.813 31.977 -45.432 1.00 0.00 H new ATOM 0 HE1 TYR A 17 1.625 31.892 -40.968 1.00 0.00 H new ATOM 0 HE2 TYR A 17 1.337 31.976 -45.271 1.00 0.00 H new ATOM 0 HH TYR A 17 -0.337 32.304 -42.196 1.00 0.00 H new ATOM 262 N GLU A 18 5.316 29.414 -41.426 1.00 0.00 N ATOM 263 CA GLU A 18 5.148 28.897 -40.055 1.00 0.00 C ATOM 264 C GLU A 18 3.924 27.954 -40.030 1.00 0.00 C ATOM 265 O GLU A 18 3.011 28.063 -39.207 1.00 0.00 O ATOM 266 CB GLU A 18 5.031 30.072 -39.056 1.00 0.00 C ATOM 267 CG GLU A 18 5.340 29.651 -37.612 1.00 0.00 C ATOM 268 CD GLU A 18 5.275 30.859 -36.659 1.00 0.00 C ATOM 269 OE1 GLU A 18 4.183 31.157 -36.115 1.00 0.00 O ATOM 270 OE2 GLU A 18 6.315 31.520 -36.425 1.00 0.00 O ATOM 0 H GLU A 18 4.463 29.308 -41.976 1.00 0.00 H new ATOM 0 HA GLU A 18 6.019 28.319 -39.746 1.00 0.00 H new ATOM 0 HB2 GLU A 18 5.715 30.867 -39.353 1.00 0.00 H new ATOM 0 HB3 GLU A 18 4.023 30.485 -39.103 1.00 0.00 H new ATOM 0 HG2 GLU A 18 4.628 28.891 -37.291 1.00 0.00 H new ATOM 0 HG3 GLU A 18 6.331 29.199 -37.565 1.00 0.00 H new ATOM 277 N THR A 19 3.842 27.109 -41.057 1.00 0.00 N ATOM 278 CA THR A 19 2.582 26.615 -41.635 1.00 0.00 C ATOM 279 C THR A 19 2.393 25.103 -41.480 1.00 0.00 C ATOM 280 O THR A 19 3.345 24.328 -41.588 1.00 0.00 O ATOM 281 CB THR A 19 2.493 27.031 -43.114 1.00 0.00 C ATOM 282 OG1 THR A 19 3.765 27.025 -43.739 1.00 0.00 O ATOM 283 CG2 THR A 19 1.956 28.452 -43.257 1.00 0.00 C ATOM 0 H THR A 19 4.668 26.737 -41.526 1.00 0.00 H new ATOM 0 HA THR A 19 1.769 27.074 -41.072 1.00 0.00 H new ATOM 0 HB THR A 19 1.828 26.307 -43.584 1.00 0.00 H new ATOM 0 HG1 THR A 19 3.715 26.519 -44.577 1.00 0.00 H new ATOM 0 HG21 THR A 19 1.905 28.717 -44.313 1.00 0.00 H new ATOM 0 HG22 THR A 19 0.959 28.510 -42.819 1.00 0.00 H new ATOM 0 HG23 THR A 19 2.620 29.145 -42.741 1.00 0.00 H new ATOM 291 N ASP A 20 1.148 24.675 -41.249 1.00 0.00 N ATOM 292 CA ASP A 20 0.762 23.280 -40.984 1.00 0.00 C ATOM 293 C ASP A 20 -0.346 22.808 -41.951 1.00 0.00 C ATOM 294 O ASP A 20 -1.165 23.617 -42.399 1.00 0.00 O ATOM 295 CB ASP A 20 0.341 23.185 -39.508 1.00 0.00 C ATOM 296 CG ASP A 20 0.113 21.740 -39.058 1.00 0.00 C ATOM 297 OD1 ASP A 20 -0.949 21.167 -39.391 1.00 0.00 O ATOM 298 OD2 ASP A 20 1.011 21.141 -38.426 1.00 0.00 O ATOM 0 H ASP A 20 0.351 25.311 -41.240 1.00 0.00 H new ATOM 0 HA ASP A 20 1.603 22.610 -41.161 1.00 0.00 H new ATOM 0 HB2 ASP A 20 1.110 23.640 -38.884 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -0.573 23.759 -39.356 1.00 0.00 H new ATOM 303 N ARG A 21 -0.385 21.514 -42.314 1.00 0.00 N ATOM 304 CA ARG A 21 -1.380 20.974 -43.272 1.00 0.00 C ATOM 305 C ARG A 21 -2.811 20.877 -42.710 1.00 0.00 C ATOM 306 O ARG A 21 -3.754 20.669 -43.475 1.00 0.00 O ATOM 307 CB ARG A 21 -0.923 19.633 -43.890 1.00 0.00 C ATOM 308 CG ARG A 21 -0.884 18.373 -43.000 1.00 0.00 C ATOM 309 CD ARG A 21 0.196 18.323 -41.910 1.00 0.00 C ATOM 310 NE ARG A 21 -0.342 18.706 -40.589 1.00 0.00 N ATOM 311 CZ ARG A 21 -0.772 17.926 -39.617 1.00 0.00 C ATOM 312 NH1 ARG A 21 -0.779 16.625 -39.689 1.00 0.00 N ATOM 313 NH2 ARG A 21 -1.222 18.489 -38.537 1.00 0.00 N ATOM 0 H ARG A 21 0.265 20.813 -41.958 1.00 0.00 H new ATOM 0 HA ARG A 21 -1.429 21.714 -44.071 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -1.579 19.419 -44.734 1.00 0.00 H new ATOM 0 HB3 ARG A 21 0.078 19.781 -44.294 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -1.856 18.268 -42.519 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -0.753 17.505 -43.647 1.00 0.00 H new ATOM 0 HD2 ARG A 21 0.612 17.317 -41.856 1.00 0.00 H new ATOM 0 HD3 ARG A 21 1.014 18.992 -42.177 1.00 0.00 H new ATOM 0 HE ARG A 21 -0.387 19.708 -40.404 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -0.439 16.159 -40.530 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -1.124 16.073 -38.904 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -1.235 19.506 -38.460 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -1.562 17.914 -37.766 1.00 0.00 H new ATOM 327 N ASN A 22 -2.981 21.050 -41.399 1.00 0.00 N ATOM 328 CA ASN A 22 -4.257 21.080 -40.682 1.00 0.00 C ATOM 329 C ASN A 22 -4.261 22.282 -39.708 1.00 0.00 C ATOM 330 O ASN A 22 -4.248 22.127 -38.483 1.00 0.00 O ATOM 331 CB ASN A 22 -4.464 19.706 -40.016 1.00 0.00 C ATOM 332 CG ASN A 22 -5.864 19.513 -39.455 1.00 0.00 C ATOM 333 OD1 ASN A 22 -6.775 20.302 -39.664 1.00 0.00 O ATOM 334 ND2 ASN A 22 -6.092 18.429 -38.749 1.00 0.00 N ATOM 0 H ASN A 22 -2.187 21.180 -40.773 1.00 0.00 H new ATOM 0 HA ASN A 22 -5.108 21.237 -41.345 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -4.262 18.922 -40.746 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -3.738 19.587 -39.211 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -7.025 18.249 -38.378 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -5.336 17.768 -38.572 1.00 0.00 H new ATOM 341 N HIS A 23 -4.169 23.491 -40.280 1.00 0.00 N ATOM 342 CA HIS A 23 -3.677 24.708 -39.607 1.00 0.00 C ATOM 343 C HIS A 23 -4.558 25.222 -38.455 1.00 0.00 C ATOM 344 O HIS A 23 -4.034 25.777 -37.490 1.00 0.00 O ATOM 345 CB HIS A 23 -3.467 25.801 -40.671 1.00 0.00 C ATOM 346 CG HIS A 23 -2.499 26.887 -40.262 1.00 0.00 C ATOM 347 ND1 HIS A 23 -1.103 26.799 -40.335 1.00 0.00 N ATOM 348 CD2 HIS A 23 -2.838 28.118 -39.781 1.00 0.00 C ATOM 349 CE1 HIS A 23 -0.639 27.976 -39.877 1.00 0.00 C ATOM 350 NE2 HIS A 23 -1.657 28.787 -39.544 1.00 0.00 N ATOM 0 H HIS A 23 -4.441 23.657 -41.249 1.00 0.00 H new ATOM 0 HA HIS A 23 -2.739 24.441 -39.121 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -3.106 25.335 -41.588 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -4.430 26.257 -40.902 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -3.837 28.495 -39.618 1.00 0.00 H new ATOM 0 HE1 HIS A 23 0.406 28.233 -39.789 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -1.570 29.735 -39.178 1.00 0.00 H new ATOM 358 N ASP A 24 -5.877 25.009 -38.522 1.00 0.00 N ATOM 359 CA ASP A 24 -6.838 25.293 -37.442 1.00 0.00 C ATOM 360 C ASP A 24 -7.926 24.210 -37.342 1.00 0.00 C ATOM 361 O ASP A 24 -8.296 23.589 -38.343 1.00 0.00 O ATOM 362 CB ASP A 24 -7.520 26.655 -37.648 1.00 0.00 C ATOM 363 CG ASP A 24 -6.564 27.848 -37.535 1.00 0.00 C ATOM 364 OD1 ASP A 24 -6.210 28.247 -36.399 1.00 0.00 O ATOM 365 OD2 ASP A 24 -6.225 28.424 -38.597 1.00 0.00 O ATOM 0 H ASP A 24 -6.322 24.622 -39.354 1.00 0.00 H new ATOM 0 HA ASP A 24 -6.263 25.305 -36.516 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -7.991 26.670 -38.631 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -8.316 26.768 -36.912 1.00 0.00 H new ATOM 370 N LEU A 25 -8.475 24.032 -36.135 1.00 0.00 N ATOM 371 CA LEU A 25 -9.619 23.169 -35.822 1.00 0.00 C ATOM 372 C LEU A 25 -10.549 23.861 -34.812 1.00 0.00 C ATOM 373 O LEU A 25 -10.073 24.527 -33.888 1.00 0.00 O ATOM 374 CB LEU A 25 -9.128 21.827 -35.238 1.00 0.00 C ATOM 375 CG LEU A 25 -8.447 20.875 -36.235 1.00 0.00 C ATOM 376 CD1 LEU A 25 -7.883 19.671 -35.478 1.00 0.00 C ATOM 377 CD2 LEU A 25 -9.428 20.351 -37.290 1.00 0.00 C ATOM 0 H LEU A 25 -8.115 24.510 -35.309 1.00 0.00 H new ATOM 0 HA LEU A 25 -10.171 22.980 -36.742 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -8.428 22.038 -34.430 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -9.980 21.311 -34.795 1.00 0.00 H new ATOM 0 HG LEU A 25 -7.659 21.437 -36.737 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -7.399 18.993 -36.181 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -7.154 20.012 -34.743 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -8.693 19.149 -34.970 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -8.904 19.682 -37.973 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -10.235 19.808 -36.798 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -9.843 21.189 -37.849 1.00 0.00 H new ATOM 389 N ALA A 26 -11.864 23.667 -34.963 1.00 0.00 N ATOM 390 CA ALA A 26 -12.910 24.183 -34.068 1.00 0.00 C ATOM 391 C ALA A 26 -12.773 25.700 -33.771 1.00 0.00 C ATOM 392 O ALA A 26 -12.363 26.067 -32.663 1.00 0.00 O ATOM 393 CB ALA A 26 -12.971 23.291 -32.817 1.00 0.00 C ATOM 0 H ALA A 26 -12.245 23.127 -35.740 1.00 0.00 H new ATOM 0 HA ALA A 26 -13.875 24.124 -34.571 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -13.743 23.662 -32.143 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -13.206 22.268 -33.111 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -12.007 23.310 -32.309 1.00 0.00 H new ATOM 399 N PRO A 27 -13.071 26.595 -34.740 1.00 0.00 N ATOM 400 CA PRO A 27 -13.022 28.043 -34.550 1.00 0.00 C ATOM 401 C PRO A 27 -13.920 28.471 -33.385 1.00 0.00 C ATOM 402 O PRO A 27 -15.095 28.098 -33.295 1.00 0.00 O ATOM 403 CB PRO A 27 -13.445 28.671 -35.884 1.00 0.00 C ATOM 404 CG PRO A 27 -14.257 27.565 -36.553 1.00 0.00 C ATOM 405 CD PRO A 27 -13.526 26.308 -36.088 1.00 0.00 C ATOM 0 HA PRO A 27 -12.021 28.381 -34.283 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -14.040 29.572 -35.733 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -12.582 28.956 -36.486 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -15.299 27.573 -36.233 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -14.257 27.659 -37.639 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -14.188 25.442 -36.102 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -12.687 26.078 -36.744 1.00 0.00 H new ATOM 413 N ARG A 28 -13.305 29.193 -32.448 1.00 0.00 N ATOM 414 CA ARG A 28 -13.841 29.466 -31.102 1.00 0.00 C ATOM 415 C ARG A 28 -13.580 30.885 -30.570 1.00 0.00 C ATOM 416 O ARG A 28 -12.769 31.632 -31.117 1.00 0.00 O ATOM 417 CB ARG A 28 -13.340 28.364 -30.150 1.00 0.00 C ATOM 418 CG ARG A 28 -11.839 28.488 -29.847 1.00 0.00 C ATOM 419 CD ARG A 28 -11.262 27.236 -29.182 1.00 0.00 C ATOM 420 NE ARG A 28 -10.938 26.193 -30.177 1.00 0.00 N ATOM 421 CZ ARG A 28 -10.087 25.195 -30.030 1.00 0.00 C ATOM 422 NH1 ARG A 28 -9.524 24.925 -28.885 1.00 0.00 N ATOM 423 NH2 ARG A 28 -9.770 24.442 -31.042 1.00 0.00 N ATOM 0 H ARG A 28 -12.392 29.620 -32.603 1.00 0.00 H new ATOM 0 HA ARG A 28 -14.929 29.438 -31.167 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -13.901 28.411 -29.217 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -13.539 27.388 -30.592 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -11.301 28.682 -30.775 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -11.674 29.348 -29.197 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -10.363 27.500 -28.625 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -11.979 26.842 -28.462 1.00 0.00 H new ATOM 0 HE ARG A 28 -11.423 26.250 -31.072 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -9.737 25.494 -28.065 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -8.871 24.145 -28.809 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -10.180 24.621 -31.959 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -9.111 23.673 -30.919 1.00 0.00 H new ATOM 437 N GLN A 29 -14.269 31.227 -29.480 1.00 0.00 N ATOM 438 CA GLN A 29 -14.260 32.508 -28.763 1.00 0.00 C ATOM 439 C GLN A 29 -14.204 32.256 -27.248 1.00 0.00 C ATOM 440 O GLN A 29 -15.201 31.887 -26.629 1.00 0.00 O ATOM 441 CB GLN A 29 -15.541 33.315 -29.068 1.00 0.00 C ATOM 442 CG GLN A 29 -15.849 33.546 -30.556 1.00 0.00 C ATOM 443 CD GLN A 29 -17.209 32.974 -30.938 1.00 0.00 C ATOM 444 OE1 GLN A 29 -18.077 33.650 -31.470 1.00 0.00 O ATOM 445 NE2 GLN A 29 -17.427 31.706 -30.664 1.00 0.00 N ATOM 0 H GLN A 29 -14.901 30.560 -29.037 1.00 0.00 H new ATOM 0 HA GLN A 29 -13.386 33.070 -29.091 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -16.389 32.799 -28.617 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -15.461 34.285 -28.578 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -15.828 34.614 -30.772 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -15.073 33.083 -31.166 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -16.698 31.148 -30.220 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -18.325 31.281 -30.896 1.00 0.00 H new ATOM 454 N ILE A 30 -13.045 32.447 -26.629 1.00 0.00 N ATOM 455 CA ILE A 30 -12.896 32.431 -25.175 1.00 0.00 C ATOM 456 C ILE A 30 -13.345 33.790 -24.632 1.00 0.00 C ATOM 457 O ILE A 30 -12.665 34.805 -24.807 1.00 0.00 O ATOM 458 CB ILE A 30 -11.453 32.077 -24.763 1.00 0.00 C ATOM 459 CG1 ILE A 30 -11.073 30.621 -25.113 1.00 0.00 C ATOM 460 CG2 ILE A 30 -11.284 32.224 -23.234 1.00 0.00 C ATOM 461 CD1 ILE A 30 -11.142 30.174 -26.576 1.00 0.00 C ATOM 0 H ILE A 30 -12.171 32.619 -27.126 1.00 0.00 H new ATOM 0 HA ILE A 30 -13.525 31.653 -24.742 1.00 0.00 H new ATOM 0 HB ILE A 30 -10.809 32.763 -25.313 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -10.054 30.452 -24.764 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -11.721 29.962 -24.535 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -10.261 31.971 -22.955 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -11.496 33.252 -22.942 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -11.975 31.552 -22.725 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -10.845 29.128 -26.651 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -12.162 30.289 -26.944 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -10.469 30.786 -27.176 1.00 0.00 H new ATOM 473 N ALA A 31 -14.483 33.789 -23.947 1.00 0.00 N ATOM 474 CA ALA A 31 -14.924 34.882 -23.086 1.00 0.00 C ATOM 475 C ALA A 31 -14.562 34.588 -21.622 1.00 0.00 C ATOM 476 O ALA A 31 -14.455 33.431 -21.212 1.00 0.00 O ATOM 477 CB ALA A 31 -16.427 35.096 -23.282 1.00 0.00 C ATOM 0 H ALA A 31 -15.141 33.010 -23.975 1.00 0.00 H new ATOM 0 HA ALA A 31 -14.412 35.805 -23.357 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -16.765 35.911 -22.642 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -16.626 35.346 -24.324 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -16.962 34.183 -23.020 1.00 0.00 H new ATOM 483 N ARG A 32 -14.407 35.642 -20.819 1.00 0.00 N ATOM 484 CA ARG A 32 -14.307 35.548 -19.354 1.00 0.00 C ATOM 485 C ARG A 32 -15.614 35.998 -18.706 1.00 0.00 C ATOM 486 O ARG A 32 -16.332 36.828 -19.264 1.00 0.00 O ATOM 487 CB ARG A 32 -13.092 36.345 -18.837 1.00 0.00 C ATOM 488 CG ARG A 32 -11.959 35.399 -18.431 1.00 0.00 C ATOM 489 CD ARG A 32 -10.723 36.133 -17.907 1.00 0.00 C ATOM 490 NE ARG A 32 -9.823 35.194 -17.206 1.00 0.00 N ATOM 491 CZ ARG A 32 -9.242 35.333 -16.026 1.00 0.00 C ATOM 492 NH1 ARG A 32 -9.378 36.380 -15.264 1.00 0.00 N ATOM 493 NH2 ARG A 32 -8.495 34.370 -15.574 1.00 0.00 N ATOM 0 H ARG A 32 -14.346 36.599 -21.168 1.00 0.00 H new ATOM 0 HA ARG A 32 -14.145 34.507 -19.073 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -12.743 37.028 -19.611 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -13.387 36.955 -17.983 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -12.322 34.716 -17.663 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -11.676 34.791 -19.290 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -10.194 36.604 -18.735 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -11.026 36.930 -17.229 1.00 0.00 H new ATOM 0 HE ARG A 32 -9.623 34.323 -17.697 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -9.962 37.159 -15.567 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -8.900 36.421 -14.364 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -8.364 33.523 -16.127 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -8.040 34.461 -14.666 1.00 0.00 H new ATOM 507 N TYR A 33 -15.887 35.491 -17.503 1.00 0.00 N ATOM 508 CA TYR A 33 -17.012 35.908 -16.659 1.00 0.00 C ATOM 509 C TYR A 33 -16.608 35.981 -15.178 1.00 0.00 C ATOM 510 O TYR A 33 -15.891 35.109 -14.686 1.00 0.00 O ATOM 511 CB TYR A 33 -18.200 34.963 -16.836 1.00 0.00 C ATOM 512 CG TYR A 33 -18.797 34.896 -18.223 1.00 0.00 C ATOM 513 CD1 TYR A 33 -18.211 34.091 -19.217 1.00 0.00 C ATOM 514 CD2 TYR A 33 -19.971 35.614 -18.501 1.00 0.00 C ATOM 515 CE1 TYR A 33 -18.821 33.983 -20.479 1.00 0.00 C ATOM 516 CE2 TYR A 33 -20.582 35.513 -19.760 1.00 0.00 C ATOM 517 CZ TYR A 33 -20.028 34.667 -20.738 1.00 0.00 C ATOM 518 OH TYR A 33 -20.696 34.477 -21.899 1.00 0.00 O ATOM 0 H TYR A 33 -15.318 34.760 -17.076 1.00 0.00 H new ATOM 0 HA TYR A 33 -17.307 36.908 -16.978 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -17.886 33.960 -16.549 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -18.983 35.263 -16.140 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -17.295 33.557 -19.011 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -20.406 36.247 -17.742 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -18.367 33.377 -21.249 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -21.474 36.082 -19.977 1.00 0.00 H new ATOM 0 HH TYR A 33 -21.361 35.188 -22.014 1.00 0.00 H new ATOM 528 N ARG A 34 -17.080 37.015 -14.467 1.00 0.00 N ATOM 529 CA ARG A 34 -16.804 37.287 -13.046 1.00 0.00 C ATOM 530 C ARG A 34 -18.019 36.980 -12.175 1.00 0.00 C ATOM 531 O ARG A 34 -19.097 37.522 -12.415 1.00 0.00 O ATOM 532 CB ARG A 34 -16.338 38.744 -12.874 1.00 0.00 C ATOM 533 CG ARG A 34 -15.937 39.048 -11.421 1.00 0.00 C ATOM 534 CD ARG A 34 -14.916 40.187 -11.329 1.00 0.00 C ATOM 535 NE ARG A 34 -15.428 41.463 -11.864 1.00 0.00 N ATOM 536 CZ ARG A 34 -14.794 42.304 -12.666 1.00 0.00 C ATOM 537 NH1 ARG A 34 -13.634 42.051 -13.206 1.00 0.00 N ATOM 538 NH2 ARG A 34 -15.336 43.453 -12.953 1.00 0.00 N ATOM 0 H ARG A 34 -17.692 37.717 -14.884 1.00 0.00 H new ATOM 0 HA ARG A 34 -16.003 36.627 -12.714 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -15.490 38.935 -13.532 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -17.137 39.420 -13.179 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -16.826 39.312 -10.848 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -15.519 38.150 -10.966 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -14.627 40.326 -10.287 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -14.015 39.906 -11.875 1.00 0.00 H new ATOM 0 HE ARG A 34 -16.373 41.726 -11.586 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -13.166 41.164 -13.018 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -13.195 42.740 -13.817 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -16.244 43.701 -12.560 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -14.852 44.105 -13.570 1.00 0.00 H new ATOM 552 N THR A 35 -17.839 36.128 -11.172 1.00 0.00 N ATOM 553 CA THR A 35 -18.886 35.727 -10.216 1.00 0.00 C ATOM 554 C THR A 35 -19.114 36.795 -9.148 1.00 0.00 C ATOM 555 O THR A 35 -18.398 37.797 -9.070 1.00 0.00 O ATOM 556 CB THR A 35 -18.579 34.400 -9.518 1.00 0.00 C ATOM 557 OG1 THR A 35 -17.419 34.511 -8.748 1.00 0.00 O ATOM 558 CG2 THR A 35 -18.410 33.255 -10.495 1.00 0.00 C ATOM 0 H THR A 35 -16.941 35.681 -10.989 1.00 0.00 H new ATOM 0 HA THR A 35 -19.788 35.604 -10.815 1.00 0.00 H new ATOM 0 HB THR A 35 -19.436 34.180 -8.882 1.00 0.00 H new ATOM 0 HG1 THR A 35 -16.655 34.701 -9.332 1.00 0.00 H new ATOM 0 HG21 THR A 35 -18.194 32.338 -9.947 1.00 0.00 H new ATOM 0 HG22 THR A 35 -19.328 33.127 -11.068 1.00 0.00 H new ATOM 0 HG23 THR A 35 -17.586 33.475 -11.174 1.00 0.00 H new ATOM 566 N ASP A 36 -20.084 36.561 -8.265 1.00 0.00 N ATOM 567 CA ASP A 36 -20.445 37.516 -7.220 1.00 0.00 C ATOM 568 C ASP A 36 -19.418 37.599 -6.074 1.00 0.00 C ATOM 569 O ASP A 36 -19.416 38.589 -5.339 1.00 0.00 O ATOM 570 CB ASP A 36 -21.860 37.192 -6.720 1.00 0.00 C ATOM 571 CG ASP A 36 -22.429 38.278 -5.789 1.00 0.00 C ATOM 572 OD1 ASP A 36 -22.660 39.419 -6.259 1.00 0.00 O ATOM 573 OD2 ASP A 36 -22.690 37.983 -4.598 1.00 0.00 O ATOM 0 H ASP A 36 -20.640 35.706 -8.254 1.00 0.00 H new ATOM 0 HA ASP A 36 -20.435 38.515 -7.656 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -22.524 37.070 -7.576 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -21.844 36.239 -6.191 1.00 0.00 H new ATOM 578 N ASN A 37 -18.491 36.632 -5.954 1.00 0.00 N ATOM 579 CA ASN A 37 -17.362 36.764 -5.017 1.00 0.00 C ATOM 580 C ASN A 37 -16.138 37.478 -5.649 1.00 0.00 C ATOM 581 O ASN A 37 -15.094 37.604 -5.006 1.00 0.00 O ATOM 582 CB ASN A 37 -16.959 35.414 -4.412 1.00 0.00 C ATOM 583 CG ASN A 37 -18.074 34.450 -4.053 1.00 0.00 C ATOM 584 OD1 ASN A 37 -19.157 34.803 -3.609 1.00 0.00 O ATOM 585 ND2 ASN A 37 -17.801 33.177 -4.213 1.00 0.00 N ATOM 0 H ASN A 37 -18.500 35.762 -6.486 1.00 0.00 H new ATOM 0 HA ASN A 37 -17.718 37.401 -4.207 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -16.295 34.914 -5.117 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -16.378 35.609 -3.510 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -18.495 32.472 -3.966 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -16.895 32.893 -4.584 1.00 0.00 H new ATOM 592 N GLY A 38 -16.235 37.889 -6.921 1.00 0.00 N ATOM 593 CA GLY A 38 -15.115 38.357 -7.749 1.00 0.00 C ATOM 594 C GLY A 38 -14.326 37.248 -8.445 1.00 0.00 C ATOM 595 O GLY A 38 -13.316 37.536 -9.087 1.00 0.00 O ATOM 0 H GLY A 38 -17.125 37.905 -7.418 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -15.501 39.039 -8.506 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -14.433 38.931 -7.122 1.00 0.00 H new ATOM 599 N GLU A 39 -14.748 35.987 -8.322 1.00 0.00 N ATOM 600 CA GLU A 39 -14.032 34.847 -8.911 1.00 0.00 C ATOM 601 C GLU A 39 -14.235 34.857 -10.429 1.00 0.00 C ATOM 602 O GLU A 39 -15.370 34.775 -10.898 1.00 0.00 O ATOM 603 CB GLU A 39 -14.476 33.496 -8.312 1.00 0.00 C ATOM 604 CG GLU A 39 -14.833 33.558 -6.822 1.00 0.00 C ATOM 605 CD GLU A 39 -14.595 32.277 -5.999 1.00 0.00 C ATOM 606 OE1 GLU A 39 -13.749 31.423 -6.356 1.00 0.00 O ATOM 607 OE2 GLU A 39 -15.257 32.155 -4.939 1.00 0.00 O ATOM 0 H GLU A 39 -15.593 35.725 -7.813 1.00 0.00 H new ATOM 0 HA GLU A 39 -12.973 34.956 -8.675 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -15.341 33.132 -8.867 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -13.677 32.768 -8.453 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -14.259 34.366 -6.368 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -15.886 33.827 -6.735 1.00 0.00 H new ATOM 614 N GLU A 40 -13.159 34.954 -11.204 1.00 0.00 N ATOM 615 CA GLU A 40 -13.228 34.989 -12.672 1.00 0.00 C ATOM 616 C GLU A 40 -12.854 33.639 -13.295 1.00 0.00 C ATOM 617 O GLU A 40 -11.830 33.035 -12.961 1.00 0.00 O ATOM 618 CB GLU A 40 -12.308 36.072 -13.255 1.00 0.00 C ATOM 619 CG GLU A 40 -12.970 37.450 -13.235 1.00 0.00 C ATOM 620 CD GLU A 40 -12.093 38.543 -13.881 1.00 0.00 C ATOM 621 OE1 GLU A 40 -11.389 38.264 -14.883 1.00 0.00 O ATOM 622 OE2 GLU A 40 -12.129 39.699 -13.394 1.00 0.00 O ATOM 0 H GLU A 40 -12.209 35.011 -10.836 1.00 0.00 H new ATOM 0 HA GLU A 40 -14.264 35.221 -12.920 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -11.380 36.106 -12.684 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -12.043 35.811 -14.280 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -13.924 37.398 -13.760 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -13.189 37.728 -12.204 1.00 0.00 H new ATOM 629 N PHE A 41 -13.689 33.202 -14.239 1.00 0.00 N ATOM 630 CA PHE A 41 -13.537 31.963 -15.002 1.00 0.00 C ATOM 631 C PHE A 41 -13.656 32.207 -16.507 1.00 0.00 C ATOM 632 O PHE A 41 -14.240 33.192 -16.960 1.00 0.00 O ATOM 633 CB PHE A 41 -14.601 30.951 -14.565 1.00 0.00 C ATOM 634 CG PHE A 41 -14.482 30.493 -13.124 1.00 0.00 C ATOM 635 CD1 PHE A 41 -15.041 31.243 -12.069 1.00 0.00 C ATOM 636 CD2 PHE A 41 -13.774 29.311 -12.834 1.00 0.00 C ATOM 637 CE1 PHE A 41 -14.865 30.815 -10.749 1.00 0.00 C ATOM 638 CE2 PHE A 41 -13.590 28.894 -11.505 1.00 0.00 C ATOM 639 CZ PHE A 41 -14.132 29.653 -10.458 1.00 0.00 C ATOM 0 H PHE A 41 -14.524 33.724 -14.504 1.00 0.00 H new ATOM 0 HA PHE A 41 -12.541 31.570 -14.800 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -15.586 31.393 -14.712 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -14.543 30.079 -15.216 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -15.601 32.142 -12.279 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -13.368 28.719 -13.641 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -15.299 31.386 -9.942 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -13.034 27.993 -11.291 1.00 0.00 H new ATOM 0 HZ PHE A 41 -13.987 29.346 -9.433 1.00 0.00 H new ATOM 649 N GLU A 42 -13.134 31.264 -17.285 1.00 0.00 N ATOM 650 CA GLU A 42 -13.071 31.318 -18.746 1.00 0.00 C ATOM 651 C GLU A 42 -14.020 30.305 -19.395 1.00 0.00 C ATOM 652 O GLU A 42 -14.018 29.121 -19.041 1.00 0.00 O ATOM 653 CB GLU A 42 -11.639 31.086 -19.258 1.00 0.00 C ATOM 654 CG GLU A 42 -10.567 31.932 -18.556 1.00 0.00 C ATOM 655 CD GLU A 42 -9.918 31.306 -17.304 1.00 0.00 C ATOM 656 OE1 GLU A 42 -10.370 30.250 -16.798 1.00 0.00 O ATOM 657 OE2 GLU A 42 -8.948 31.924 -16.802 1.00 0.00 O ATOM 0 H GLU A 42 -12.728 30.409 -16.904 1.00 0.00 H new ATOM 0 HA GLU A 42 -13.388 32.321 -19.032 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -11.389 30.032 -19.136 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -11.610 31.299 -20.327 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -9.779 32.153 -19.276 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -11.014 32.884 -18.270 1.00 0.00 H new ATOM 664 N VAL A 43 -14.807 30.756 -20.370 1.00 0.00 N ATOM 665 CA VAL A 43 -15.779 29.936 -21.111 1.00 0.00 C ATOM 666 C VAL A 43 -15.489 30.003 -22.621 1.00 0.00 C ATOM 667 O VAL A 43 -15.727 31.041 -23.244 1.00 0.00 O ATOM 668 CB VAL A 43 -17.226 30.368 -20.799 1.00 0.00 C ATOM 669 CG1 VAL A 43 -18.226 29.387 -21.421 1.00 0.00 C ATOM 670 CG2 VAL A 43 -17.509 30.455 -19.293 1.00 0.00 C ATOM 0 H VAL A 43 -14.790 31.728 -20.679 1.00 0.00 H new ATOM 0 HA VAL A 43 -15.674 28.901 -20.787 1.00 0.00 H new ATOM 0 HB VAL A 43 -17.343 31.363 -21.229 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -19.242 29.708 -21.190 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -18.089 29.365 -22.502 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -18.059 28.390 -21.013 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -18.542 30.763 -19.134 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -17.347 29.479 -18.835 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -16.839 31.184 -18.838 1.00 0.00 H new ATOM 680 N PRO A 44 -14.984 28.914 -23.235 1.00 0.00 N ATOM 681 CA PRO A 44 -14.850 28.791 -24.683 1.00 0.00 C ATOM 682 C PRO A 44 -16.209 28.530 -25.354 1.00 0.00 C ATOM 683 O PRO A 44 -16.893 27.545 -25.064 1.00 0.00 O ATOM 684 CB PRO A 44 -13.855 27.648 -24.936 1.00 0.00 C ATOM 685 CG PRO A 44 -13.203 27.391 -23.578 1.00 0.00 C ATOM 686 CD PRO A 44 -14.279 27.824 -22.588 1.00 0.00 C ATOM 0 HA PRO A 44 -14.483 29.719 -25.121 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -14.362 26.757 -25.307 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -13.113 27.927 -25.684 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -12.938 26.341 -23.451 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -12.287 27.969 -23.455 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -14.955 27.001 -22.358 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -13.838 28.147 -21.645 1.00 0.00 H new ATOM 694 N PHE A 45 -16.568 29.403 -26.289 1.00 0.00 N ATOM 695 CA PHE A 45 -17.722 29.294 -27.193 1.00 0.00 C ATOM 696 C PHE A 45 -17.279 28.916 -28.606 1.00 0.00 C ATOM 697 O PHE A 45 -16.270 29.419 -29.089 1.00 0.00 O ATOM 698 CB PHE A 45 -18.472 30.631 -27.227 1.00 0.00 C ATOM 699 CG PHE A 45 -19.298 30.887 -25.984 1.00 0.00 C ATOM 700 CD1 PHE A 45 -18.684 31.417 -24.835 1.00 0.00 C ATOM 701 CD2 PHE A 45 -20.676 30.592 -25.969 1.00 0.00 C ATOM 702 CE1 PHE A 45 -19.444 31.652 -23.680 1.00 0.00 C ATOM 703 CE2 PHE A 45 -21.434 30.823 -24.806 1.00 0.00 C ATOM 704 CZ PHE A 45 -20.813 31.345 -23.656 1.00 0.00 C ATOM 0 H PHE A 45 -16.035 30.257 -26.451 1.00 0.00 H new ATOM 0 HA PHE A 45 -18.380 28.509 -26.820 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -17.752 31.440 -27.349 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -19.125 30.651 -28.099 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -17.628 31.643 -24.842 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -21.151 30.188 -26.851 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -18.973 32.072 -22.804 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -22.491 30.600 -24.796 1.00 0.00 H new ATOM 0 HZ PHE A 45 -21.389 31.509 -22.757 1.00 0.00 H new ATOM 714 N ALA A 46 -18.054 28.103 -29.315 1.00 0.00 N ATOM 715 CA ALA A 46 -17.794 27.762 -30.718 1.00 0.00 C ATOM 716 C ALA A 46 -18.353 28.842 -31.661 1.00 0.00 C ATOM 717 O ALA A 46 -19.255 29.589 -31.284 1.00 0.00 O ATOM 718 CB ALA A 46 -18.387 26.378 -31.009 1.00 0.00 C ATOM 0 H ALA A 46 -18.888 27.656 -28.934 1.00 0.00 H new ATOM 0 HA ALA A 46 -16.719 27.725 -30.896 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -18.200 26.113 -32.050 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -17.922 25.638 -30.357 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -19.462 26.397 -30.827 1.00 0.00 H new ATOM 724 N ASP A 47 -17.859 28.916 -32.898 1.00 0.00 N ATOM 725 CA ASP A 47 -18.308 29.878 -33.923 1.00 0.00 C ATOM 726 C ASP A 47 -19.806 29.739 -34.289 1.00 0.00 C ATOM 727 O ASP A 47 -20.425 30.679 -34.791 1.00 0.00 O ATOM 728 CB ASP A 47 -17.418 29.707 -35.163 1.00 0.00 C ATOM 729 CG ASP A 47 -17.728 30.727 -36.272 1.00 0.00 C ATOM 730 OD1 ASP A 47 -17.420 31.930 -36.092 1.00 0.00 O ATOM 731 OD2 ASP A 47 -18.237 30.322 -37.345 1.00 0.00 O ATOM 0 H ASP A 47 -17.119 28.298 -33.229 1.00 0.00 H new ATOM 0 HA ASP A 47 -18.209 30.883 -33.512 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -16.373 29.805 -34.869 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -17.545 28.699 -35.558 1.00 0.00 H new ATOM 736 N ASP A 48 -20.411 28.582 -33.996 1.00 0.00 N ATOM 737 CA ASP A 48 -21.858 28.332 -34.117 1.00 0.00 C ATOM 738 C ASP A 48 -22.699 29.056 -33.034 1.00 0.00 C ATOM 739 O ASP A 48 -23.922 29.166 -33.157 1.00 0.00 O ATOM 740 CB ASP A 48 -22.075 26.812 -34.064 1.00 0.00 C ATOM 741 CG ASP A 48 -23.520 26.398 -34.391 1.00 0.00 C ATOM 742 OD1 ASP A 48 -23.973 26.626 -35.541 1.00 0.00 O ATOM 743 OD2 ASP A 48 -24.196 25.799 -33.518 1.00 0.00 O ATOM 0 H ASP A 48 -19.896 27.769 -33.658 1.00 0.00 H new ATOM 0 HA ASP A 48 -22.205 28.742 -35.065 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -21.397 26.329 -34.768 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -21.815 26.448 -33.070 1.00 0.00 H new ATOM 748 N ALA A 49 -22.045 29.571 -31.988 1.00 0.00 N ATOM 749 CA ALA A 49 -22.620 30.310 -30.863 1.00 0.00 C ATOM 750 C ALA A 49 -22.059 31.746 -30.757 1.00 0.00 C ATOM 751 O ALA A 49 -21.048 32.091 -31.375 1.00 0.00 O ATOM 752 CB ALA A 49 -22.348 29.510 -29.580 1.00 0.00 C ATOM 0 H ALA A 49 -21.033 29.476 -31.900 1.00 0.00 H new ATOM 0 HA ALA A 49 -23.693 30.421 -31.018 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -22.767 30.040 -28.725 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -22.811 28.526 -29.660 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -21.273 29.395 -29.444 1.00 0.00 H new ATOM 758 N GLU A 50 -22.695 32.584 -29.935 1.00 0.00 N ATOM 759 CA GLU A 50 -22.207 33.916 -29.552 1.00 0.00 C ATOM 760 C GLU A 50 -22.396 34.181 -28.047 1.00 0.00 C ATOM 761 O GLU A 50 -23.338 33.678 -27.435 1.00 0.00 O ATOM 762 CB GLU A 50 -22.869 34.996 -30.423 1.00 0.00 C ATOM 763 CG GLU A 50 -24.355 35.235 -30.116 1.00 0.00 C ATOM 764 CD GLU A 50 -24.985 36.191 -31.147 1.00 0.00 C ATOM 765 OE1 GLU A 50 -24.872 37.431 -30.982 1.00 0.00 O ATOM 766 OE2 GLU A 50 -25.607 35.714 -32.128 1.00 0.00 O ATOM 0 H GLU A 50 -23.589 32.350 -29.504 1.00 0.00 H new ATOM 0 HA GLU A 50 -21.133 33.955 -29.734 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -22.328 35.933 -30.292 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -22.768 34.713 -31.471 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -24.889 34.285 -30.122 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -24.461 35.653 -29.115 1.00 0.00 H new ATOM 773 N ILE A 51 -21.490 34.974 -27.468 1.00 0.00 N ATOM 774 CA ILE A 51 -21.333 35.284 -26.040 1.00 0.00 C ATOM 775 C ILE A 51 -22.565 36.019 -25.484 1.00 0.00 C ATOM 776 O ILE A 51 -22.799 37.185 -25.825 1.00 0.00 O ATOM 777 CB ILE A 51 -20.061 36.132 -25.780 1.00 0.00 C ATOM 778 CG1 ILE A 51 -18.832 35.696 -26.612 1.00 0.00 C ATOM 779 CG2 ILE A 51 -19.715 36.138 -24.280 1.00 0.00 C ATOM 780 CD1 ILE A 51 -18.352 34.258 -26.400 1.00 0.00 C ATOM 0 H ILE A 51 -20.789 35.456 -28.030 1.00 0.00 H new ATOM 0 HA ILE A 51 -21.231 34.331 -25.521 1.00 0.00 H new ATOM 0 HB ILE A 51 -20.305 37.142 -26.109 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -19.068 35.827 -27.668 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -18.007 36.370 -26.384 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -18.820 36.738 -24.115 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -20.545 36.564 -23.717 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -19.534 35.117 -23.944 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -17.487 34.066 -27.034 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -18.074 34.117 -25.355 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -19.153 33.565 -26.659 1.00 0.00 H new ATOM 792 N PRO A 52 -23.361 35.365 -24.626 1.00 0.00 N ATOM 793 CA PRO A 52 -24.402 36.017 -23.849 1.00 0.00 C ATOM 794 C PRO A 52 -23.788 36.890 -22.741 1.00 0.00 C ATOM 795 O PRO A 52 -22.720 36.579 -22.206 1.00 0.00 O ATOM 796 CB PRO A 52 -25.246 34.871 -23.294 1.00 0.00 C ATOM 797 CG PRO A 52 -24.248 33.724 -23.148 1.00 0.00 C ATOM 798 CD PRO A 52 -23.220 33.974 -24.244 1.00 0.00 C ATOM 0 HA PRO A 52 -25.010 36.699 -24.442 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -25.697 35.133 -22.337 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -26.060 34.610 -23.970 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -23.785 33.724 -22.161 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -24.734 32.756 -23.272 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -22.211 33.770 -23.885 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -23.393 33.317 -25.097 1.00 0.00 H new ATOM 806 N GLY A 53 -24.482 37.972 -22.376 1.00 0.00 N ATOM 807 CA GLY A 53 -24.074 38.948 -21.349 1.00 0.00 C ATOM 808 C GLY A 53 -23.647 38.348 -20.000 1.00 0.00 C ATOM 809 O GLY A 53 -22.796 38.917 -19.311 1.00 0.00 O ATOM 0 H GLY A 53 -25.379 38.205 -22.802 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -23.247 39.539 -21.742 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -24.902 39.635 -21.176 1.00 0.00 H new ATOM 813 N THR A 54 -24.204 37.193 -19.618 1.00 0.00 N ATOM 814 CA THR A 54 -23.763 36.416 -18.454 1.00 0.00 C ATOM 815 C THR A 54 -23.769 34.900 -18.724 1.00 0.00 C ATOM 816 O THR A 54 -24.444 34.428 -19.644 1.00 0.00 O ATOM 817 CB THR A 54 -24.670 36.680 -17.234 1.00 0.00 C ATOM 818 OG1 THR A 54 -26.012 36.319 -17.501 1.00 0.00 O ATOM 819 CG2 THR A 54 -24.750 38.145 -16.811 1.00 0.00 C ATOM 0 H THR A 54 -24.985 36.766 -20.116 1.00 0.00 H new ATOM 0 HA THR A 54 -22.743 36.741 -18.251 1.00 0.00 H new ATOM 0 HB THR A 54 -24.208 36.083 -16.448 1.00 0.00 H new ATOM 0 HG1 THR A 54 -26.562 36.496 -16.709 1.00 0.00 H new ATOM 0 HG21 THR A 54 -25.408 38.239 -15.947 1.00 0.00 H new ATOM 0 HG22 THR A 54 -23.754 38.503 -16.549 1.00 0.00 H new ATOM 0 HG23 THR A 54 -25.145 38.740 -17.634 1.00 0.00 H new ATOM 827 N TRP A 55 -23.014 34.127 -17.931 1.00 0.00 N ATOM 828 CA TRP A 55 -22.888 32.665 -18.038 1.00 0.00 C ATOM 829 C TRP A 55 -22.466 32.021 -16.703 1.00 0.00 C ATOM 830 O TRP A 55 -21.709 32.610 -15.928 1.00 0.00 O ATOM 831 CB TRP A 55 -21.864 32.326 -19.128 1.00 0.00 C ATOM 832 CG TRP A 55 -21.827 30.891 -19.552 1.00 0.00 C ATOM 833 CD1 TRP A 55 -21.018 29.945 -19.036 1.00 0.00 C ATOM 834 CD2 TRP A 55 -22.608 30.217 -20.585 1.00 0.00 C ATOM 835 NE1 TRP A 55 -21.204 28.750 -19.699 1.00 0.00 N ATOM 836 CE2 TRP A 55 -22.186 28.854 -20.660 1.00 0.00 C ATOM 837 CE3 TRP A 55 -23.618 30.626 -21.478 1.00 0.00 C ATOM 838 CZ2 TRP A 55 -22.737 27.947 -21.578 1.00 0.00 C ATOM 839 CZ3 TRP A 55 -24.186 29.724 -22.399 1.00 0.00 C ATOM 840 CH2 TRP A 55 -23.748 28.388 -22.451 1.00 0.00 C ATOM 0 H TRP A 55 -22.455 34.515 -17.171 1.00 0.00 H new ATOM 0 HA TRP A 55 -23.866 32.260 -18.299 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -22.074 32.940 -20.004 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -20.873 32.607 -18.772 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -20.325 30.100 -18.222 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -20.681 27.897 -19.503 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -23.963 31.649 -21.456 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -22.390 26.925 -21.614 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -24.963 30.060 -23.070 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -24.187 27.702 -23.160 1.00 0.00 H new ATOM 851 N LEU A 56 -22.913 30.791 -16.429 1.00 0.00 N ATOM 852 CA LEU A 56 -22.624 30.080 -15.180 1.00 0.00 C ATOM 853 C LEU A 56 -21.153 29.629 -15.112 1.00 0.00 C ATOM 854 O LEU A 56 -20.655 28.931 -15.998 1.00 0.00 O ATOM 855 CB LEU A 56 -23.603 28.899 -15.020 1.00 0.00 C ATOM 856 CG LEU A 56 -24.234 28.792 -13.623 1.00 0.00 C ATOM 857 CD1 LEU A 56 -25.355 27.752 -13.631 1.00 0.00 C ATOM 858 CD2 LEU A 56 -23.219 28.366 -12.564 1.00 0.00 C ATOM 0 H LEU A 56 -23.492 30.255 -17.076 1.00 0.00 H new ATOM 0 HA LEU A 56 -22.771 30.762 -14.343 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -24.398 28.997 -15.759 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -23.075 27.971 -15.241 1.00 0.00 H new ATOM 0 HG LEU A 56 -24.615 29.783 -13.377 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -25.795 27.684 -12.636 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -26.121 28.048 -14.348 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -24.949 26.781 -13.915 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -23.711 28.304 -11.593 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -22.808 27.391 -12.826 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -22.413 29.099 -12.517 1.00 0.00 H new ATOM 870 N CYS A 57 -20.463 30.022 -14.044 1.00 0.00 N ATOM 871 CA CYS A 57 -19.044 29.746 -13.815 1.00 0.00 C ATOM 872 C CYS A 57 -18.804 28.501 -12.945 1.00 0.00 C ATOM 873 O CYS A 57 -19.692 28.047 -12.218 1.00 0.00 O ATOM 874 CB CYS A 57 -18.411 30.988 -13.186 1.00 0.00 C ATOM 875 SG CYS A 57 -18.335 32.308 -14.417 1.00 0.00 S ATOM 0 H CYS A 57 -20.889 30.559 -13.289 1.00 0.00 H new ATOM 0 HA CYS A 57 -18.577 29.523 -14.774 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -18.995 31.312 -12.325 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -17.410 30.756 -12.823 1.00 0.00 H new ATOM 0 HG CYS A 57 -17.799 33.367 -13.886 1.00 0.00 H new ATOM 881 N ARG A 58 -17.568 27.979 -12.959 1.00 0.00 N ATOM 882 CA ARG A 58 -17.189 26.720 -12.276 1.00 0.00 C ATOM 883 C ARG A 58 -17.153 26.817 -10.742 1.00 0.00 C ATOM 884 O ARG A 58 -17.131 25.787 -10.069 1.00 0.00 O ATOM 885 CB ARG A 58 -15.868 26.161 -12.845 1.00 0.00 C ATOM 886 CG ARG A 58 -15.873 26.067 -14.380 1.00 0.00 C ATOM 887 CD ARG A 58 -14.630 25.355 -14.930 1.00 0.00 C ATOM 888 NE ARG A 58 -14.640 25.349 -16.408 1.00 0.00 N ATOM 889 CZ ARG A 58 -14.355 26.366 -17.204 1.00 0.00 C ATOM 890 NH1 ARG A 58 -13.878 27.492 -16.762 1.00 0.00 N ATOM 891 NH2 ARG A 58 -14.549 26.304 -18.486 1.00 0.00 N ATOM 0 H ARG A 58 -16.790 28.420 -13.449 1.00 0.00 H new ATOM 0 HA ARG A 58 -17.990 26.013 -12.492 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -15.042 26.798 -12.527 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -15.687 25.171 -12.425 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -16.766 25.534 -14.705 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -15.929 27.070 -14.802 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -13.730 25.854 -14.570 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -14.597 24.331 -14.558 1.00 0.00 H new ATOM 0 HE ARG A 58 -14.893 24.470 -16.860 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -13.709 27.618 -15.764 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -13.673 28.250 -17.413 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -14.931 25.455 -18.904 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -14.320 27.104 -19.076 1.00 0.00 H new ATOM 905 N ASN A 59 -17.234 28.031 -10.184 1.00 0.00 N ATOM 906 CA ASN A 59 -17.508 28.268 -8.757 1.00 0.00 C ATOM 907 C ASN A 59 -18.952 27.860 -8.351 1.00 0.00 C ATOM 908 O ASN A 59 -19.254 27.669 -7.172 1.00 0.00 O ATOM 909 CB ASN A 59 -17.237 29.758 -8.485 1.00 0.00 C ATOM 910 CG ASN A 59 -17.508 30.267 -7.075 1.00 0.00 C ATOM 911 OD1 ASN A 59 -17.378 29.575 -6.077 1.00 0.00 O ATOM 912 ND2 ASN A 59 -17.846 31.533 -6.955 1.00 0.00 N ATOM 0 H ASN A 59 -17.109 28.891 -10.718 1.00 0.00 H new ATOM 0 HA ASN A 59 -16.857 27.642 -8.147 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -16.193 29.961 -8.723 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -17.841 30.344 -9.178 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -17.999 31.935 -6.030 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -17.955 32.113 -7.787 1.00 0.00 H new ATOM 919 N GLY A 60 -19.847 27.699 -9.330 1.00 0.00 N ATOM 920 CA GLY A 60 -21.274 27.408 -9.141 1.00 0.00 C ATOM 921 C GLY A 60 -22.155 28.661 -9.062 1.00 0.00 C ATOM 922 O GLY A 60 -23.297 28.572 -8.605 1.00 0.00 O ATOM 0 H GLY A 60 -19.589 27.770 -10.314 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -21.620 26.783 -9.964 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -21.399 26.829 -8.226 1.00 0.00 H new ATOM 926 N MET A 61 -21.638 29.822 -9.489 1.00 0.00 N ATOM 927 CA MET A 61 -22.345 31.109 -9.500 1.00 0.00 C ATOM 928 C MET A 61 -22.477 31.671 -10.923 1.00 0.00 C ATOM 929 O MET A 61 -21.607 31.463 -11.771 1.00 0.00 O ATOM 930 CB MET A 61 -21.626 32.087 -8.550 1.00 0.00 C ATOM 931 CG MET A 61 -22.412 33.380 -8.287 1.00 0.00 C ATOM 932 SD MET A 61 -24.126 33.149 -7.730 1.00 0.00 S ATOM 933 CE MET A 61 -24.682 34.873 -7.680 1.00 0.00 C ATOM 0 H MET A 61 -20.686 29.892 -9.848 1.00 0.00 H new ATOM 0 HA MET A 61 -23.364 30.962 -9.142 1.00 0.00 H new ATOM 0 HB2 MET A 61 -21.439 31.586 -7.600 1.00 0.00 H new ATOM 0 HB3 MET A 61 -20.654 32.342 -8.973 1.00 0.00 H new ATOM 0 HG2 MET A 61 -21.879 33.963 -7.536 1.00 0.00 H new ATOM 0 HG3 MET A 61 -22.422 33.972 -9.202 1.00 0.00 H new ATOM 0 HE1 MET A 61 -25.741 34.906 -7.424 1.00 0.00 H new ATOM 0 HE2 MET A 61 -24.110 35.418 -6.929 1.00 0.00 H new ATOM 0 HE3 MET A 61 -24.530 35.333 -8.657 1.00 0.00 H new ATOM 943 N GLU A 62 -23.550 32.417 -11.183 1.00 0.00 N ATOM 944 CA GLU A 62 -23.739 33.178 -12.423 1.00 0.00 C ATOM 945 C GLU A 62 -22.663 34.270 -12.547 1.00 0.00 C ATOM 946 O GLU A 62 -22.642 35.239 -11.783 1.00 0.00 O ATOM 947 CB GLU A 62 -25.150 33.794 -12.465 1.00 0.00 C ATOM 948 CG GLU A 62 -26.280 32.762 -12.630 1.00 0.00 C ATOM 949 CD GLU A 62 -26.376 32.118 -14.032 1.00 0.00 C ATOM 950 OE1 GLU A 62 -25.536 32.396 -14.919 1.00 0.00 O ATOM 951 OE2 GLU A 62 -27.323 31.322 -14.253 1.00 0.00 O ATOM 0 H GLU A 62 -24.327 32.513 -10.529 1.00 0.00 H new ATOM 0 HA GLU A 62 -23.638 32.499 -13.270 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -25.317 34.356 -11.546 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -25.200 34.506 -13.288 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -26.141 31.972 -11.892 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -27.230 33.246 -12.403 1.00 0.00 H new ATOM 958 N GLY A 63 -21.743 34.090 -13.494 1.00 0.00 N ATOM 959 CA GLY A 63 -20.703 35.056 -13.833 1.00 0.00 C ATOM 960 C GLY A 63 -21.176 36.081 -14.865 1.00 0.00 C ATOM 961 O GLY A 63 -21.955 35.748 -15.759 1.00 0.00 O ATOM 0 H GLY A 63 -21.701 33.244 -14.062 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -20.384 35.575 -12.929 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -19.832 34.528 -14.222 1.00 0.00 H new ATOM 965 N THR A 64 -20.667 37.313 -14.804 1.00 0.00 N ATOM 966 CA THR A 64 -20.958 38.370 -15.792 1.00 0.00 C ATOM 967 C THR A 64 -19.760 38.664 -16.689 1.00 0.00 C ATOM 968 O THR A 64 -18.625 38.713 -16.215 1.00 0.00 O ATOM 969 CB THR A 64 -21.438 39.664 -15.114 1.00 0.00 C ATOM 970 OG1 THR A 64 -22.563 39.403 -14.299 1.00 0.00 O ATOM 971 CG2 THR A 64 -21.854 40.749 -16.113 1.00 0.00 C ATOM 0 H THR A 64 -20.034 37.614 -14.063 1.00 0.00 H new ATOM 0 HA THR A 64 -21.763 37.988 -16.419 1.00 0.00 H new ATOM 0 HB THR A 64 -20.588 40.022 -14.533 1.00 0.00 H new ATOM 0 HG1 THR A 64 -22.858 40.234 -13.872 1.00 0.00 H new ATOM 0 HG21 THR A 64 -22.182 41.636 -15.571 1.00 0.00 H new ATOM 0 HG22 THR A 64 -21.005 41.005 -16.747 1.00 0.00 H new ATOM 0 HG23 THR A 64 -22.671 40.379 -16.733 1.00 0.00 H new ATOM 979 N LEU A 65 -20.017 38.842 -17.988 1.00 0.00 N ATOM 980 CA LEU A 65 -19.021 38.952 -19.058 1.00 0.00 C ATOM 981 C LEU A 65 -18.068 40.146 -18.835 1.00 0.00 C ATOM 982 O LEU A 65 -18.505 41.299 -18.776 1.00 0.00 O ATOM 983 CB LEU A 65 -19.819 39.033 -20.377 1.00 0.00 C ATOM 984 CG LEU A 65 -19.091 38.898 -21.729 1.00 0.00 C ATOM 985 CD1 LEU A 65 -20.084 39.268 -22.835 1.00 0.00 C ATOM 986 CD2 LEU A 65 -17.856 39.776 -21.925 1.00 0.00 C ATOM 0 H LEU A 65 -20.972 38.917 -18.339 1.00 0.00 H new ATOM 0 HA LEU A 65 -18.355 38.089 -19.081 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -20.583 38.256 -20.342 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -20.338 39.991 -20.383 1.00 0.00 H new ATOM 0 HG LEU A 65 -18.735 37.868 -21.759 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -19.596 39.182 -23.806 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -20.939 38.593 -22.797 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -20.425 40.293 -22.690 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -17.432 39.592 -22.912 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -18.139 40.825 -21.841 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -17.115 39.538 -21.162 1.00 0.00 H new ATOM 998 N ILE A 66 -16.764 39.864 -18.757 1.00 0.00 N ATOM 999 CA ILE A 66 -15.655 40.835 -18.772 1.00 0.00 C ATOM 1000 C ILE A 66 -14.617 40.453 -19.839 1.00 0.00 C ATOM 1001 O ILE A 66 -14.502 39.287 -20.227 1.00 0.00 O ATOM 1002 CB ILE A 66 -14.989 41.010 -17.383 1.00 0.00 C ATOM 1003 CG1 ILE A 66 -14.181 39.787 -16.886 1.00 0.00 C ATOM 1004 CG2 ILE A 66 -16.005 41.492 -16.330 1.00 0.00 C ATOM 1005 CD1 ILE A 66 -14.999 38.567 -16.501 1.00 0.00 C ATOM 0 H ILE A 66 -16.431 38.903 -18.677 1.00 0.00 H new ATOM 0 HA ILE A 66 -16.085 41.803 -19.030 1.00 0.00 H new ATOM 0 HB ILE A 66 -14.240 41.789 -17.526 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -13.478 39.498 -17.667 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -13.590 40.092 -16.022 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -15.506 41.605 -15.368 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -16.420 42.452 -16.638 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -16.809 40.761 -16.239 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -14.332 37.772 -16.168 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -15.684 38.828 -15.694 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -15.570 38.224 -17.364 1.00 0.00 H new ATOM 1017 N GLU A 67 -13.843 41.425 -20.321 1.00 0.00 N ATOM 1018 CA GLU A 67 -12.824 41.192 -21.351 1.00 0.00 C ATOM 1019 C GLU A 67 -11.636 40.349 -20.850 1.00 0.00 C ATOM 1020 O GLU A 67 -10.960 40.704 -19.881 1.00 0.00 O ATOM 1021 CB GLU A 67 -12.353 42.534 -21.942 1.00 0.00 C ATOM 1022 CG GLU A 67 -11.677 42.396 -23.314 1.00 0.00 C ATOM 1023 CD GLU A 67 -12.675 42.012 -24.425 1.00 0.00 C ATOM 1024 OE1 GLU A 67 -13.284 42.919 -25.045 1.00 0.00 O ATOM 1025 OE2 GLU A 67 -12.848 40.798 -24.686 1.00 0.00 O ATOM 0 H GLU A 67 -13.902 42.395 -20.011 1.00 0.00 H new ATOM 0 HA GLU A 67 -13.292 40.601 -22.138 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -13.209 43.202 -22.033 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -11.656 43.003 -21.248 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -11.193 43.337 -23.574 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -10.894 41.640 -23.256 1.00 0.00 H new ATOM 1032 N GLY A 68 -11.341 39.257 -21.561 1.00 0.00 N ATOM 1033 CA GLY A 68 -10.111 38.463 -21.425 1.00 0.00 C ATOM 1034 C GLY A 68 -8.899 39.167 -22.052 1.00 0.00 C ATOM 1035 O GLY A 68 -8.327 38.680 -23.028 1.00 0.00 O ATOM 0 H GLY A 68 -11.972 38.887 -22.272 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -9.915 38.276 -20.369 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -10.252 37.492 -21.900 1.00 0.00 H new ATOM 1039 N ASP A 69 -8.536 40.336 -21.520 1.00 0.00 N ATOM 1040 CA ASP A 69 -7.572 41.285 -22.099 1.00 0.00 C ATOM 1041 C ASP A 69 -6.099 40.888 -21.842 1.00 0.00 C ATOM 1042 O ASP A 69 -5.332 41.599 -21.184 1.00 0.00 O ATOM 1043 CB ASP A 69 -7.928 42.702 -21.610 1.00 0.00 C ATOM 1044 CG ASP A 69 -7.093 43.805 -22.288 1.00 0.00 C ATOM 1045 OD1 ASP A 69 -6.870 43.735 -23.522 1.00 0.00 O ATOM 1046 OD2 ASP A 69 -6.695 44.776 -21.599 1.00 0.00 O ATOM 0 H ASP A 69 -8.921 40.665 -20.635 1.00 0.00 H new ATOM 0 HA ASP A 69 -7.654 41.263 -23.186 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -8.985 42.889 -21.797 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -7.781 42.755 -20.531 1.00 0.00 H new ATOM 1051 N LEU A 70 -5.707 39.714 -22.347 1.00 0.00 N ATOM 1052 CA LEU A 70 -4.337 39.191 -22.299 1.00 0.00 C ATOM 1053 C LEU A 70 -3.399 39.948 -23.271 1.00 0.00 C ATOM 1054 O LEU A 70 -3.861 40.419 -24.317 1.00 0.00 O ATOM 1055 CB LEU A 70 -4.354 37.679 -22.607 1.00 0.00 C ATOM 1056 CG LEU A 70 -5.138 36.815 -21.601 1.00 0.00 C ATOM 1057 CD1 LEU A 70 -5.285 35.394 -22.147 1.00 0.00 C ATOM 1058 CD2 LEU A 70 -4.443 36.743 -20.240 1.00 0.00 C ATOM 0 H LEU A 70 -6.355 39.081 -22.816 1.00 0.00 H new ATOM 0 HA LEU A 70 -3.941 39.348 -21.295 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -4.781 37.531 -23.599 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -3.325 37.320 -22.646 1.00 0.00 H new ATOM 0 HG LEU A 70 -6.113 37.282 -21.466 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -5.840 34.785 -21.433 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -5.823 35.422 -23.095 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -4.297 34.960 -22.303 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -5.032 36.124 -19.563 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -3.451 36.307 -20.361 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -4.350 37.747 -19.825 1.00 0.00 H new ATOM 1070 N PRO A 71 -2.082 40.037 -22.986 1.00 0.00 N ATOM 1071 CA PRO A 71 -1.094 40.745 -23.814 1.00 0.00 C ATOM 1072 C PRO A 71 -0.646 39.909 -25.036 1.00 0.00 C ATOM 1073 O PRO A 71 0.544 39.667 -25.244 1.00 0.00 O ATOM 1074 CB PRO A 71 0.035 41.099 -22.836 1.00 0.00 C ATOM 1075 CG PRO A 71 0.046 39.893 -21.897 1.00 0.00 C ATOM 1076 CD PRO A 71 -1.441 39.564 -21.762 1.00 0.00 C ATOM 0 HA PRO A 71 -1.496 41.645 -24.280 1.00 0.00 H new ATOM 0 HB2 PRO A 71 0.990 41.225 -23.346 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -0.166 42.028 -22.302 1.00 0.00 H new ATOM 0 HG2 PRO A 71 0.610 39.059 -22.315 1.00 0.00 H new ATOM 0 HG3 PRO A 71 0.498 40.133 -20.934 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -1.591 38.492 -21.634 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -1.869 40.052 -20.886 1.00 0.00 H new ATOM 1084 N GLU A 72 -1.619 39.417 -25.813 1.00 0.00 N ATOM 1085 CA GLU A 72 -1.491 38.489 -26.953 1.00 0.00 C ATOM 1086 C GLU A 72 -0.375 37.415 -26.816 1.00 0.00 C ATOM 1087 O GLU A 72 0.548 37.375 -27.639 1.00 0.00 O ATOM 1088 CB GLU A 72 -1.476 39.274 -28.283 1.00 0.00 C ATOM 1089 CG GLU A 72 -0.442 40.409 -28.360 1.00 0.00 C ATOM 1090 CD GLU A 72 -0.331 40.961 -29.793 1.00 0.00 C ATOM 1091 OE1 GLU A 72 -1.157 41.824 -30.182 1.00 0.00 O ATOM 1092 OE2 GLU A 72 0.588 40.550 -30.545 1.00 0.00 O ATOM 0 H GLU A 72 -2.593 39.675 -25.652 1.00 0.00 H new ATOM 0 HA GLU A 72 -2.385 37.866 -26.952 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -1.286 38.575 -29.097 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -2.468 39.695 -28.449 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -0.726 41.211 -27.679 1.00 0.00 H new ATOM 0 HG3 GLU A 72 0.531 40.042 -28.032 1.00 0.00 H new ATOM 1099 N PRO A 73 -0.417 36.536 -25.786 1.00 0.00 N ATOM 1100 CA PRO A 73 0.665 35.587 -25.503 1.00 0.00 C ATOM 1101 C PRO A 73 0.930 34.579 -26.637 1.00 0.00 C ATOM 1102 O PRO A 73 -0.004 34.059 -27.258 1.00 0.00 O ATOM 1103 CB PRO A 73 0.275 34.867 -24.206 1.00 0.00 C ATOM 1104 CG PRO A 73 -0.697 35.833 -23.538 1.00 0.00 C ATOM 1105 CD PRO A 73 -1.425 36.435 -24.736 1.00 0.00 C ATOM 0 HA PRO A 73 1.604 36.133 -25.407 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -0.193 33.903 -24.408 1.00 0.00 H new ATOM 0 HB3 PRO A 73 1.144 34.674 -23.577 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -1.381 35.320 -22.861 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -0.179 36.592 -22.952 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -2.257 35.804 -25.049 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -1.840 37.413 -24.493 1.00 0.00 H new ATOM 1113 N LYS A 74 2.214 34.269 -26.867 1.00 0.00 N ATOM 1114 CA LYS A 74 2.686 33.242 -27.821 1.00 0.00 C ATOM 1115 C LYS A 74 3.971 32.555 -27.335 1.00 0.00 C ATOM 1116 O LYS A 74 3.963 31.351 -27.078 1.00 0.00 O ATOM 1117 CB LYS A 74 2.842 33.875 -29.221 1.00 0.00 C ATOM 1118 CG LYS A 74 3.168 32.834 -30.305 1.00 0.00 C ATOM 1119 CD LYS A 74 3.239 33.481 -31.695 1.00 0.00 C ATOM 1120 CE LYS A 74 3.554 32.420 -32.758 1.00 0.00 C ATOM 1121 NZ LYS A 74 3.621 33.009 -34.119 1.00 0.00 N ATOM 0 H LYS A 74 2.980 34.737 -26.382 1.00 0.00 H new ATOM 0 HA LYS A 74 1.940 32.450 -27.887 1.00 0.00 H new ATOM 0 HB2 LYS A 74 1.921 34.394 -29.486 1.00 0.00 H new ATOM 0 HB3 LYS A 74 3.633 34.624 -29.191 1.00 0.00 H new ATOM 0 HG2 LYS A 74 4.119 32.353 -30.076 1.00 0.00 H new ATOM 0 HG3 LYS A 74 2.407 32.053 -30.303 1.00 0.00 H new ATOM 0 HD2 LYS A 74 2.292 33.968 -31.926 1.00 0.00 H new ATOM 0 HD3 LYS A 74 4.006 34.255 -31.705 1.00 0.00 H new ATOM 0 HE2 LYS A 74 4.504 31.940 -32.522 1.00 0.00 H new ATOM 0 HE3 LYS A 74 2.789 31.643 -32.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 3.717 32.249 -34.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 2.751 33.547 -34.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 4.442 33.645 -34.182 1.00 0.00 H new ATOM 1135 N LYS A 75 5.048 33.327 -27.137 1.00 0.00 N ATOM 1136 CA LYS A 75 6.350 32.876 -26.599 1.00 0.00 C ATOM 1137 C LYS A 75 6.418 33.080 -25.074 1.00 0.00 C ATOM 1138 O LYS A 75 7.265 33.807 -24.555 1.00 0.00 O ATOM 1139 CB LYS A 75 7.486 33.545 -27.401 1.00 0.00 C ATOM 1140 CG LYS A 75 8.839 32.837 -27.206 1.00 0.00 C ATOM 1141 CD LYS A 75 9.967 33.505 -28.008 1.00 0.00 C ATOM 1142 CE LYS A 75 9.936 33.081 -29.484 1.00 0.00 C ATOM 1143 NZ LYS A 75 11.049 33.698 -30.251 1.00 0.00 N ATOM 0 H LYS A 75 5.042 34.324 -27.354 1.00 0.00 H new ATOM 0 HA LYS A 75 6.473 31.801 -26.731 1.00 0.00 H new ATOM 0 HB2 LYS A 75 7.228 33.544 -28.460 1.00 0.00 H new ATOM 0 HB3 LYS A 75 7.577 34.587 -27.096 1.00 0.00 H new ATOM 0 HG2 LYS A 75 9.098 32.839 -26.147 1.00 0.00 H new ATOM 0 HG3 LYS A 75 8.748 31.794 -27.510 1.00 0.00 H new ATOM 0 HD2 LYS A 75 9.872 34.589 -27.938 1.00 0.00 H new ATOM 0 HD3 LYS A 75 10.931 33.240 -27.573 1.00 0.00 H new ATOM 0 HE2 LYS A 75 10.003 31.995 -29.553 1.00 0.00 H new ATOM 0 HE3 LYS A 75 8.983 33.371 -29.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 10.999 33.391 -31.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 10.970 34.734 -30.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 11.958 33.401 -29.843 1.00 0.00 H new ATOM 1157 N VAL A 76 5.452 32.488 -24.364 1.00 0.00 N ATOM 1158 CA VAL A 76 5.207 32.662 -22.917 1.00 0.00 C ATOM 1159 C VAL A 76 4.995 31.298 -22.248 1.00 0.00 C ATOM 1160 O VAL A 76 4.338 30.420 -22.814 1.00 0.00 O ATOM 1161 CB VAL A 76 3.997 33.596 -22.676 1.00 0.00 C ATOM 1162 CG1 VAL A 76 3.712 33.824 -21.185 1.00 0.00 C ATOM 1163 CG2 VAL A 76 4.216 34.982 -23.305 1.00 0.00 C ATOM 0 H VAL A 76 4.787 31.845 -24.795 1.00 0.00 H new ATOM 0 HA VAL A 76 6.083 33.130 -22.467 1.00 0.00 H new ATOM 0 HB VAL A 76 3.153 33.086 -23.140 1.00 0.00 H new ATOM 0 HG11 VAL A 76 2.853 34.486 -21.076 1.00 0.00 H new ATOM 0 HG12 VAL A 76 3.497 32.869 -20.706 1.00 0.00 H new ATOM 0 HG13 VAL A 76 4.583 34.279 -20.713 1.00 0.00 H new ATOM 0 HG21 VAL A 76 3.345 35.610 -23.115 1.00 0.00 H new ATOM 0 HG22 VAL A 76 5.100 35.445 -22.866 1.00 0.00 H new ATOM 0 HG23 VAL A 76 4.358 34.875 -24.380 1.00 0.00 H new ATOM 1173 N LYS A 77 5.540 31.127 -21.036 1.00 0.00 N ATOM 1174 CA LYS A 77 5.427 29.918 -20.194 1.00 0.00 C ATOM 1175 C LYS A 77 5.024 30.277 -18.746 1.00 0.00 C ATOM 1176 O LYS A 77 5.258 31.417 -18.331 1.00 0.00 O ATOM 1177 CB LYS A 77 6.757 29.138 -20.213 1.00 0.00 C ATOM 1178 CG LYS A 77 7.084 28.548 -21.598 1.00 0.00 C ATOM 1179 CD LYS A 77 8.402 27.759 -21.622 1.00 0.00 C ATOM 1180 CE LYS A 77 8.341 26.487 -20.765 1.00 0.00 C ATOM 1181 NZ LYS A 77 9.602 25.705 -20.858 1.00 0.00 N ATOM 0 H LYS A 77 6.097 31.857 -20.592 1.00 0.00 H new ATOM 0 HA LYS A 77 4.640 29.286 -20.606 1.00 0.00 H new ATOM 0 HB2 LYS A 77 7.566 29.801 -19.905 1.00 0.00 H new ATOM 0 HB3 LYS A 77 6.710 28.331 -19.481 1.00 0.00 H new ATOM 0 HG2 LYS A 77 6.270 27.893 -21.909 1.00 0.00 H new ATOM 0 HG3 LYS A 77 7.138 29.357 -22.327 1.00 0.00 H new ATOM 0 HD2 LYS A 77 8.642 27.489 -22.651 1.00 0.00 H new ATOM 0 HD3 LYS A 77 9.210 28.397 -21.263 1.00 0.00 H new ATOM 0 HE2 LYS A 77 8.155 26.756 -19.725 1.00 0.00 H new ATOM 0 HE3 LYS A 77 7.504 25.869 -21.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 9.526 24.853 -20.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 9.766 25.427 -21.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 10.397 26.287 -20.525 1.00 0.00 H new ATOM 1195 N PRO A 78 4.447 29.341 -17.961 1.00 0.00 N ATOM 1196 CA PRO A 78 4.085 29.577 -16.559 1.00 0.00 C ATOM 1197 C PRO A 78 5.280 29.979 -15.665 1.00 0.00 C ATOM 1198 O PRO A 78 6.414 29.563 -15.934 1.00 0.00 O ATOM 1199 CB PRO A 78 3.443 28.273 -16.068 1.00 0.00 C ATOM 1200 CG PRO A 78 2.913 27.634 -17.350 1.00 0.00 C ATOM 1201 CD PRO A 78 3.975 28.025 -18.375 1.00 0.00 C ATOM 0 HA PRO A 78 3.405 30.426 -16.494 1.00 0.00 H new ATOM 0 HB2 PRO A 78 4.169 27.631 -15.569 1.00 0.00 H new ATOM 0 HB3 PRO A 78 2.642 28.464 -15.353 1.00 0.00 H new ATOM 0 HG2 PRO A 78 2.818 26.552 -17.256 1.00 0.00 H new ATOM 0 HG3 PRO A 78 1.929 28.018 -17.618 1.00 0.00 H new ATOM 0 HD2 PRO A 78 4.791 27.302 -18.391 1.00 0.00 H new ATOM 0 HD3 PRO A 78 3.557 28.056 -19.381 1.00 0.00 H new ATOM 1209 N PRO A 79 5.056 30.751 -14.580 1.00 0.00 N ATOM 1210 CA PRO A 79 6.122 31.240 -13.698 1.00 0.00 C ATOM 1211 C PRO A 79 6.677 30.177 -12.728 1.00 0.00 C ATOM 1212 O PRO A 79 7.749 30.380 -12.150 1.00 0.00 O ATOM 1213 CB PRO A 79 5.486 32.410 -12.939 1.00 0.00 C ATOM 1214 CG PRO A 79 4.017 32.003 -12.835 1.00 0.00 C ATOM 1215 CD PRO A 79 3.770 31.305 -14.173 1.00 0.00 C ATOM 0 HA PRO A 79 6.995 31.530 -14.282 1.00 0.00 H new ATOM 0 HB2 PRO A 79 5.937 32.545 -11.956 1.00 0.00 H new ATOM 0 HB3 PRO A 79 5.606 33.351 -13.476 1.00 0.00 H new ATOM 0 HG2 PRO A 79 3.840 31.336 -11.991 1.00 0.00 H new ATOM 0 HG3 PRO A 79 3.365 32.867 -12.702 1.00 0.00 H new ATOM 0 HD2 PRO A 79 3.021 30.519 -14.071 1.00 0.00 H new ATOM 0 HD3 PRO A 79 3.395 32.008 -14.917 1.00 0.00 H new ATOM 1223 N ARG A 80 5.958 29.060 -12.530 1.00 0.00 N ATOM 1224 CA ARG A 80 6.295 27.947 -11.620 1.00 0.00 C ATOM 1225 C ARG A 80 6.087 26.584 -12.293 1.00 0.00 C ATOM 1226 O ARG A 80 6.999 25.732 -12.197 1.00 0.00 O ATOM 1227 CB ARG A 80 5.471 28.042 -10.318 1.00 0.00 C ATOM 1228 CG ARG A 80 5.708 29.315 -9.480 1.00 0.00 C ATOM 1229 CD ARG A 80 7.089 29.371 -8.811 1.00 0.00 C ATOM 1230 NE ARG A 80 7.277 28.310 -7.802 1.00 0.00 N ATOM 1231 CZ ARG A 80 8.401 28.002 -7.185 1.00 0.00 C ATOM 1232 NH1 ARG A 80 9.516 28.639 -7.411 1.00 0.00 N ATOM 1233 NH2 ARG A 80 8.429 27.036 -6.316 1.00 0.00 N ATOM 1234 OXT ARG A 80 5.020 26.376 -12.916 1.00 0.00 O ATOM 0 H ARG A 80 5.081 28.898 -13.024 1.00 0.00 H new ATOM 0 HA ARG A 80 7.353 28.033 -11.371 1.00 0.00 H new ATOM 0 HB2 ARG A 80 4.413 27.986 -10.572 1.00 0.00 H new ATOM 0 HB3 ARG A 80 5.697 27.173 -9.700 1.00 0.00 H new ATOM 0 HG2 ARG A 80 5.590 30.188 -10.122 1.00 0.00 H new ATOM 0 HG3 ARG A 80 4.939 29.380 -8.710 1.00 0.00 H new ATOM 0 HD2 ARG A 80 7.862 29.282 -9.574 1.00 0.00 H new ATOM 0 HD3 ARG A 80 7.220 30.344 -8.338 1.00 0.00 H new ATOM 0 HE ARG A 80 6.454 27.759 -7.557 1.00 0.00 H new ATOM 0 HH11 ARG A 80 9.538 29.404 -8.085 1.00 0.00 H new ATOM 0 HH12 ARG A 80 10.366 28.372 -6.914 1.00 0.00 H new ATOM 0 HH21 ARG A 80 7.579 26.512 -6.108 1.00 0.00 H new ATOM 0 HH22 ARG A 80 9.301 26.802 -5.842 1.00 0.00 H new TER 1248 ARG A 80