USER MOD reduce.3.24.130724 H: found=0, std=0, add=564, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 565 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 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot -179:sc= -1.18 USER MOD Single : A 14 TYR OH : rot -15:sc= -1.77 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 ASN : amide:sc= -2.6 K(o=-2.6,f=-5.8!) USER MOD Single : A 27 ASN : amide:sc= -0.255 K(o=-0.26,f=-2.9!) USER MOD Single : A 30 GLN : amide:sc= -0.931 K(o=-0.93,f=-9.6!) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 ASN : amide:sc= -4.77 K(o=-4.8,f=-9.3!) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.528 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 48 N SER A 6 -11.148 5.112 5.921 1.00 0.00 N ATOM 49 CA SER A 6 -9.988 5.944 5.647 1.00 0.00 C ATOM 50 C SER A 6 -9.882 6.214 4.144 1.00 0.00 C ATOM 51 O SER A 6 -9.596 7.337 3.731 1.00 0.00 O ATOM 52 CB SER A 6 -8.705 5.287 6.160 1.00 0.00 C ATOM 53 OG SER A 6 -7.982 6.144 7.040 1.00 0.00 O ATOM 0 HA SER A 6 -10.114 6.891 6.172 1.00 0.00 H new ATOM 0 HB2 SER A 6 -8.954 4.361 6.679 1.00 0.00 H new ATOM 0 HB3 SER A 6 -8.072 5.018 5.314 1.00 0.00 H new ATOM 0 HG SER A 6 -7.171 5.688 7.347 1.00 0.00 H new ATOM 59 N GLY A 7 -10.118 5.167 3.369 1.00 0.00 N ATOM 60 CA GLY A 7 -10.052 5.277 1.921 1.00 0.00 C ATOM 61 C GLY A 7 -10.921 6.432 1.420 1.00 0.00 C ATOM 62 O GLY A 7 -10.705 6.945 0.323 1.00 0.00 O ATOM 0 H GLY A 7 -10.355 4.238 3.716 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -9.019 5.433 1.611 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -10.383 4.344 1.466 1.00 0.00 H new ATOM 66 N ALA A 8 -11.885 6.808 2.247 1.00 0.00 N ATOM 67 CA ALA A 8 -12.788 7.893 1.901 1.00 0.00 C ATOM 68 C ALA A 8 -12.229 9.209 2.446 1.00 0.00 C ATOM 69 O ALA A 8 -12.523 10.279 1.916 1.00 0.00 O ATOM 70 CB ALA A 8 -14.186 7.586 2.440 1.00 0.00 C ATOM 0 H ALA A 8 -12.061 6.381 3.156 1.00 0.00 H new ATOM 0 HA ALA A 8 -12.871 7.993 0.819 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -14.863 8.400 2.180 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -14.550 6.657 2.000 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -14.143 7.482 3.524 1.00 0.00 H new ATOM 76 N SER A 9 -11.432 9.086 3.497 1.00 0.00 N ATOM 77 CA SER A 9 -10.829 10.252 4.119 1.00 0.00 C ATOM 78 C SER A 9 -9.725 10.813 3.221 1.00 0.00 C ATOM 79 O SER A 9 -9.587 12.028 3.085 1.00 0.00 O ATOM 80 CB SER A 9 -10.267 9.911 5.501 1.00 0.00 C ATOM 81 OG SER A 9 -11.024 8.892 6.148 1.00 0.00 O ATOM 0 H SER A 9 -11.190 8.196 3.934 1.00 0.00 H new ATOM 0 HA SER A 9 -11.603 11.009 4.248 1.00 0.00 H new ATOM 0 HB2 SER A 9 -9.232 9.585 5.401 1.00 0.00 H new ATOM 0 HB3 SER A 9 -10.261 10.807 6.121 1.00 0.00 H new ATOM 0 HG SER A 9 -10.642 8.713 7.033 1.00 0.00 H new ATOM 87 N LEU A 10 -8.967 9.901 2.630 1.00 0.00 N ATOM 88 CA LEU A 10 -7.879 10.289 1.749 1.00 0.00 C ATOM 89 C LEU A 10 -8.398 11.293 0.717 1.00 0.00 C ATOM 90 O LEU A 10 -7.678 12.208 0.320 1.00 0.00 O ATOM 91 CB LEU A 10 -7.225 9.053 1.128 1.00 0.00 C ATOM 92 CG LEU A 10 -6.180 8.343 1.990 1.00 0.00 C ATOM 93 CD1 LEU A 10 -6.681 8.165 3.425 1.00 0.00 C ATOM 94 CD2 LEU A 10 -5.761 7.013 1.360 1.00 0.00 C ATOM 0 H LEU A 10 -9.085 8.894 2.744 1.00 0.00 H new ATOM 0 HA LEU A 10 -7.092 10.788 2.314 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -8.009 8.338 0.880 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -6.754 9.348 0.190 1.00 0.00 H new ATOM 0 HG LEU A 10 -5.291 8.972 2.035 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -5.919 7.658 4.016 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -6.888 9.142 3.862 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -7.593 7.569 3.421 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -5.017 6.529 1.993 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -6.633 6.365 1.264 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -5.334 7.196 0.374 1.00 0.00 H new ATOM 106 N LEU A 11 -9.643 11.089 0.314 1.00 0.00 N ATOM 107 CA LEU A 11 -10.266 11.965 -0.663 1.00 0.00 C ATOM 108 C LEU A 11 -10.274 13.398 -0.125 1.00 0.00 C ATOM 109 O LEU A 11 -10.319 14.354 -0.898 1.00 0.00 O ATOM 110 CB LEU A 11 -11.653 11.443 -1.043 1.00 0.00 C ATOM 111 CG LEU A 11 -11.682 10.241 -1.989 1.00 0.00 C ATOM 112 CD1 LEU A 11 -11.707 10.693 -3.450 1.00 0.00 C ATOM 113 CD2 LEU A 11 -10.517 9.291 -1.703 1.00 0.00 C ATOM 0 H LEU A 11 -10.237 10.330 0.646 1.00 0.00 H new ATOM 0 HA LEU A 11 -9.690 11.975 -1.588 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -12.181 11.173 -0.128 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -12.212 12.257 -1.505 1.00 0.00 H new ATOM 0 HG LEU A 11 -12.603 9.686 -1.808 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -11.727 9.819 -4.101 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -12.595 11.299 -3.628 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -10.816 11.284 -3.663 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -10.561 8.445 -2.389 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -9.574 9.820 -1.839 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -10.585 8.930 -0.677 1.00 0.00 H new ATOM 125 N ALA A 12 -10.231 13.500 1.195 1.00 0.00 N ATOM 126 CA ALA A 12 -10.232 14.800 1.845 1.00 0.00 C ATOM 127 C ALA A 12 -8.827 15.106 2.366 1.00 0.00 C ATOM 128 O ALA A 12 -8.329 16.219 2.203 1.00 0.00 O ATOM 129 CB ALA A 12 -11.283 14.813 2.957 1.00 0.00 C ATOM 0 H ALA A 12 -10.195 12.704 1.832 1.00 0.00 H new ATOM 0 HA ALA A 12 -10.498 15.584 1.136 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -11.284 15.788 3.445 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -12.267 14.620 2.530 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -11.047 14.041 3.689 1.00 0.00 H new ATOM 135 N ARG A 13 -8.227 14.099 2.984 1.00 0.00 N ATOM 136 CA ARG A 13 -6.889 14.247 3.530 1.00 0.00 C ATOM 137 C ARG A 13 -5.927 14.750 2.452 1.00 0.00 C ATOM 138 O ARG A 13 -5.281 15.782 2.624 1.00 0.00 O ATOM 139 CB ARG A 13 -6.371 12.919 4.086 1.00 0.00 C ATOM 140 CG ARG A 13 -6.151 13.005 5.598 1.00 0.00 C ATOM 141 CD ARG A 13 -5.950 11.615 6.203 1.00 0.00 C ATOM 142 NE ARG A 13 -6.437 11.596 7.601 1.00 0.00 N ATOM 143 CZ ARG A 13 -5.806 12.188 8.624 1.00 0.00 C ATOM 144 NH1 ARG A 13 -4.660 12.849 8.412 1.00 0.00 N ATOM 145 NH2 ARG A 13 -6.321 12.119 9.859 1.00 0.00 N ATOM 0 H ARG A 13 -8.643 13.178 3.119 1.00 0.00 H new ATOM 0 HA ARG A 13 -6.941 14.973 4.342 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -7.084 12.125 3.863 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -5.435 12.655 3.593 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -5.280 13.626 5.808 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -7.008 13.489 6.067 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -6.485 10.871 5.613 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -4.894 11.346 6.173 1.00 0.00 H new ATOM 0 HE ARG A 13 -7.307 11.101 7.798 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -4.268 12.902 7.472 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -4.180 13.300 9.191 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -7.193 11.616 10.020 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -5.841 12.570 10.638 1.00 0.00 H new ATOM 159 N TYR A 14 -5.864 13.997 1.363 1.00 0.00 N ATOM 160 CA TYR A 14 -4.992 14.354 0.257 1.00 0.00 C ATOM 161 C TYR A 14 -5.801 14.875 -0.933 1.00 0.00 C ATOM 162 O TYR A 14 -6.993 14.592 -1.049 1.00 0.00 O ATOM 163 CB TYR A 14 -4.280 13.063 -0.152 1.00 0.00 C ATOM 164 CG TYR A 14 -3.408 12.457 0.949 1.00 0.00 C ATOM 165 CD1 TYR A 14 -3.970 11.618 1.890 1.00 0.00 C ATOM 166 CD2 TYR A 14 -2.061 12.751 1.003 1.00 0.00 C ATOM 167 CE1 TYR A 14 -3.149 11.048 2.927 1.00 0.00 C ATOM 168 CE2 TYR A 14 -1.240 12.181 2.039 1.00 0.00 C ATOM 169 CZ TYR A 14 -1.825 11.357 2.950 1.00 0.00 C ATOM 170 OH TYR A 14 -1.050 10.819 3.930 1.00 0.00 O ATOM 0 H TYR A 14 -6.402 13.142 1.223 1.00 0.00 H new ATOM 0 HA TYR A 14 -4.297 15.139 0.554 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -5.027 12.329 -0.455 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -3.658 13.264 -1.024 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -5.025 11.389 1.849 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -1.622 13.409 0.268 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -3.575 10.390 3.670 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -0.184 12.402 2.092 1.00 0.00 H new ATOM 0 HH TYR A 14 -1.623 10.456 4.638 1.00 0.00 H new ATOM 180 N PRO A 15 -5.104 15.647 -1.809 1.00 0.00 N ATOM 181 CA PRO A 15 -5.744 16.210 -2.985 1.00 0.00 C ATOM 182 C PRO A 15 -5.968 15.138 -4.054 1.00 0.00 C ATOM 183 O PRO A 15 -5.459 14.024 -3.937 1.00 0.00 O ATOM 184 CB PRO A 15 -4.816 17.322 -3.444 1.00 0.00 C ATOM 185 CG PRO A 15 -3.472 17.039 -2.793 1.00 0.00 C ATOM 186 CD PRO A 15 -3.692 16.003 -1.703 1.00 0.00 C ATOM 0 HA PRO A 15 -6.739 16.602 -2.775 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -4.729 17.334 -4.530 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -5.198 18.298 -3.144 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -2.760 16.671 -3.532 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -3.051 17.952 -2.372 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -3.052 15.133 -1.849 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -3.459 16.408 -0.718 1.00 0.00 H new ATOM 194 N PRO A 16 -6.749 15.522 -5.099 1.00 0.00 N ATOM 195 CA PRO A 16 -7.046 14.607 -6.187 1.00 0.00 C ATOM 196 C PRO A 16 -5.835 14.440 -7.109 1.00 0.00 C ATOM 197 O PRO A 16 -5.693 13.415 -7.773 1.00 0.00 O ATOM 198 CB PRO A 16 -8.250 15.211 -6.892 1.00 0.00 C ATOM 199 CG PRO A 16 -8.295 16.669 -6.464 1.00 0.00 C ATOM 200 CD PRO A 16 -7.368 16.833 -5.271 1.00 0.00 C ATOM 0 HA PRO A 16 -7.269 13.598 -5.839 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -8.153 15.124 -7.974 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -9.167 14.693 -6.612 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -7.982 17.317 -7.283 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -9.312 16.958 -6.200 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -6.619 17.603 -5.455 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -7.919 17.131 -4.379 1.00 0.00 H new ATOM 208 N GLU A 17 -4.994 15.464 -7.119 1.00 0.00 N ATOM 209 CA GLU A 17 -3.801 15.443 -7.948 1.00 0.00 C ATOM 210 C GLU A 17 -2.705 14.610 -7.280 1.00 0.00 C ATOM 211 O GLU A 17 -1.634 14.414 -7.852 1.00 0.00 O ATOM 212 CB GLU A 17 -3.311 16.863 -8.238 1.00 0.00 C ATOM 213 CG GLU A 17 -2.749 17.518 -6.975 1.00 0.00 C ATOM 214 CD GLU A 17 -2.957 19.034 -7.004 1.00 0.00 C ATOM 215 OE1 GLU A 17 -2.466 19.655 -7.971 1.00 0.00 O ATOM 216 OE2 GLU A 17 -3.602 19.536 -6.058 1.00 0.00 O ATOM 0 H GLU A 17 -5.115 16.313 -6.567 1.00 0.00 H new ATOM 0 HA GLU A 17 -4.052 14.979 -8.902 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -2.542 16.836 -9.010 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -4.133 17.463 -8.628 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -3.236 17.097 -6.095 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -1.686 17.295 -6.888 1.00 0.00 H new ATOM 223 N LYS A 18 -3.011 14.143 -6.078 1.00 0.00 N ATOM 224 CA LYS A 18 -2.065 13.336 -5.326 1.00 0.00 C ATOM 225 C LYS A 18 -2.765 12.071 -4.826 1.00 0.00 C ATOM 226 O LYS A 18 -2.207 11.324 -4.024 1.00 0.00 O ATOM 227 CB LYS A 18 -1.421 14.163 -4.213 1.00 0.00 C ATOM 228 CG LYS A 18 -0.904 15.499 -4.751 1.00 0.00 C ATOM 229 CD LYS A 18 -0.179 16.287 -3.659 1.00 0.00 C ATOM 230 CE LYS A 18 0.471 17.549 -4.231 1.00 0.00 C ATOM 231 NZ LYS A 18 1.841 17.255 -4.709 1.00 0.00 N ATOM 0 H LYS A 18 -3.900 14.308 -5.607 1.00 0.00 H new ATOM 0 HA LYS A 18 -1.244 13.014 -5.967 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -2.148 14.343 -3.421 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -0.598 13.603 -3.769 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -0.227 15.321 -5.586 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -1.737 16.087 -5.136 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -0.884 16.561 -2.874 1.00 0.00 H new ATOM 0 HD3 LYS A 18 0.583 15.659 -3.198 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -0.132 17.936 -5.053 1.00 0.00 H new ATOM 0 HE3 LYS A 18 0.505 18.326 -3.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 2.268 18.122 -5.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 2.418 16.907 -3.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 1.801 16.529 -5.453 1.00 0.00 H new ATOM 245 N LEU A 19 -3.979 11.870 -5.320 1.00 0.00 N ATOM 246 CA LEU A 19 -4.761 10.709 -4.932 1.00 0.00 C ATOM 247 C LEU A 19 -4.555 9.594 -5.960 1.00 0.00 C ATOM 248 O LEU A 19 -5.005 9.704 -7.099 1.00 0.00 O ATOM 249 CB LEU A 19 -6.228 11.094 -4.730 1.00 0.00 C ATOM 250 CG LEU A 19 -6.633 11.462 -3.301 1.00 0.00 C ATOM 251 CD1 LEU A 19 -7.974 12.198 -3.284 1.00 0.00 C ATOM 252 CD2 LEU A 19 -6.647 10.226 -2.399 1.00 0.00 C ATOM 0 H LEU A 19 -4.439 12.492 -5.985 1.00 0.00 H new ATOM 0 HA LEU A 19 -4.420 10.325 -3.971 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -6.454 11.939 -5.380 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -6.850 10.262 -5.060 1.00 0.00 H new ATOM 0 HG LEU A 19 -5.885 12.145 -2.899 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -8.239 12.448 -2.257 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -7.894 13.113 -3.871 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -8.746 11.558 -3.712 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -6.938 10.516 -1.389 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -7.361 9.500 -2.788 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -5.652 9.781 -2.376 1.00 0.00 H new ATOM 264 N PHE A 20 -3.873 8.546 -5.521 1.00 0.00 N ATOM 265 CA PHE A 20 -3.601 7.413 -6.388 1.00 0.00 C ATOM 266 C PHE A 20 -4.194 6.126 -5.811 1.00 0.00 C ATOM 267 O PHE A 20 -4.169 5.916 -4.599 1.00 0.00 O ATOM 268 CB PHE A 20 -2.081 7.267 -6.471 1.00 0.00 C ATOM 269 CG PHE A 20 -1.415 8.237 -7.450 1.00 0.00 C ATOM 270 CD1 PHE A 20 -1.165 9.519 -7.072 1.00 0.00 C ATOM 271 CD2 PHE A 20 -1.074 7.817 -8.697 1.00 0.00 C ATOM 272 CE1 PHE A 20 -0.547 10.419 -7.981 1.00 0.00 C ATOM 273 CE2 PHE A 20 -0.457 8.716 -9.606 1.00 0.00 C ATOM 274 CZ PHE A 20 -0.206 9.999 -9.228 1.00 0.00 C ATOM 0 H PHE A 20 -3.501 8.458 -4.575 1.00 0.00 H new ATOM 0 HA PHE A 20 -4.048 7.580 -7.368 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -1.657 7.420 -5.479 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -1.840 6.246 -6.767 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -1.436 9.853 -6.081 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -1.273 6.799 -8.996 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -0.348 11.437 -7.681 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -0.187 8.382 -10.597 1.00 0.00 H new ATOM 0 HZ PHE A 20 0.264 10.683 -9.919 1.00 0.00 H new ATOM 284 N GLN A 21 -4.714 5.298 -6.705 1.00 0.00 N ATOM 285 CA GLN A 21 -5.312 4.038 -6.300 1.00 0.00 C ATOM 286 C GLN A 21 -4.358 2.878 -6.594 1.00 0.00 C ATOM 287 O GLN A 21 -3.481 2.993 -7.448 1.00 0.00 O ATOM 288 CB GLN A 21 -6.662 3.825 -6.988 1.00 0.00 C ATOM 289 CG GLN A 21 -7.408 2.638 -6.376 1.00 0.00 C ATOM 290 CD GLN A 21 -8.718 2.371 -7.120 1.00 0.00 C ATOM 291 OE1 GLN A 21 -8.746 2.143 -8.318 1.00 0.00 O ATOM 292 NE2 GLN A 21 -9.799 2.412 -6.346 1.00 0.00 N ATOM 0 H GLN A 21 -4.733 5.476 -7.709 1.00 0.00 H new ATOM 0 HA GLN A 21 -5.490 4.073 -5.225 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -7.268 4.727 -6.895 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -6.508 3.652 -8.053 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -6.777 1.750 -6.412 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -7.617 2.838 -5.325 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -9.706 2.608 -5.349 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -10.721 2.247 -6.749 1.00 0.00 H new ATOM 301 N ALA A 22 -4.561 1.788 -5.868 1.00 0.00 N ATOM 302 CA ALA A 22 -3.729 0.609 -6.041 1.00 0.00 C ATOM 303 C ALA A 22 -4.243 -0.203 -7.231 1.00 0.00 C ATOM 304 O ALA A 22 -5.330 -0.776 -7.173 1.00 0.00 O ATOM 305 CB ALA A 22 -3.718 -0.202 -4.743 1.00 0.00 C ATOM 0 H ALA A 22 -5.289 1.697 -5.159 1.00 0.00 H new ATOM 0 HA ALA A 22 -2.699 0.894 -6.257 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -3.094 -1.087 -4.872 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -3.317 0.410 -3.935 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -4.735 -0.508 -4.496 1.00 0.00 H new ATOM 311 N GLU A 23 -3.438 -0.225 -8.283 1.00 0.00 N ATOM 312 CA GLU A 23 -3.798 -0.957 -9.486 1.00 0.00 C ATOM 313 C GLU A 23 -4.006 -2.438 -9.163 1.00 0.00 C ATOM 314 O GLU A 23 -5.041 -3.011 -9.500 1.00 0.00 O ATOM 315 CB GLU A 23 -2.739 -0.777 -10.575 1.00 0.00 C ATOM 316 CG GLU A 23 -2.702 0.671 -11.069 1.00 0.00 C ATOM 317 CD GLU A 23 -3.126 0.761 -12.536 1.00 0.00 C ATOM 318 OE1 GLU A 23 -4.084 0.042 -12.895 1.00 0.00 O ATOM 319 OE2 GLU A 23 -2.483 1.546 -13.266 1.00 0.00 O ATOM 0 H GLU A 23 -2.538 0.252 -8.328 1.00 0.00 H new ATOM 0 HA GLU A 23 -4.736 -0.553 -9.867 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -1.760 -1.057 -10.186 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -2.953 -1.445 -11.410 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -3.363 1.285 -10.457 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -1.696 1.073 -10.952 1.00 0.00 H new ATOM 326 N ARG A 24 -3.006 -3.016 -8.514 1.00 0.00 N ATOM 327 CA ARG A 24 -3.066 -4.419 -8.142 1.00 0.00 C ATOM 328 C ARG A 24 -2.579 -4.609 -6.704 1.00 0.00 C ATOM 329 O ARG A 24 -2.028 -3.686 -6.105 1.00 0.00 O ATOM 330 CB ARG A 24 -2.212 -5.274 -9.079 1.00 0.00 C ATOM 331 CG ARG A 24 -0.777 -4.747 -9.149 1.00 0.00 C ATOM 332 CD ARG A 24 0.129 -5.718 -9.908 1.00 0.00 C ATOM 333 NE ARG A 24 1.208 -4.973 -10.593 1.00 0.00 N ATOM 334 CZ ARG A 24 1.995 -5.496 -11.544 1.00 0.00 C ATOM 335 NH1 ARG A 24 1.827 -6.768 -11.928 1.00 0.00 N ATOM 336 NH2 ARG A 24 2.949 -4.745 -12.111 1.00 0.00 N ATOM 0 H ARG A 24 -2.149 -2.538 -8.236 1.00 0.00 H new ATOM 0 HA ARG A 24 -4.105 -4.739 -8.222 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -2.207 -6.307 -8.731 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -2.651 -5.276 -10.077 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -0.767 -3.775 -9.641 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -0.391 -4.598 -8.140 1.00 0.00 H new ATOM 0 HD2 ARG A 24 0.559 -6.443 -9.217 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -0.456 -6.280 -10.637 1.00 0.00 H new ATOM 0 HE ARG A 24 1.363 -4.001 -10.325 1.00 0.00 H new ATOM 0 HH11 ARG A 24 1.100 -7.339 -11.497 1.00 0.00 H new ATOM 0 HH12 ARG A 24 2.426 -7.166 -12.652 1.00 0.00 H new ATOM 0 HH21 ARG A 24 3.076 -3.776 -11.819 1.00 0.00 H new ATOM 0 HH22 ARG A 24 3.548 -5.142 -12.835 1.00 0.00 H new ATOM 350 N ASN A 25 -2.800 -5.810 -6.192 1.00 0.00 N ATOM 351 CA ASN A 25 -2.390 -6.133 -4.836 1.00 0.00 C ATOM 352 C ASN A 25 -0.869 -6.005 -4.723 1.00 0.00 C ATOM 353 O ASN A 25 -0.132 -6.799 -5.304 1.00 0.00 O ATOM 354 CB ASN A 25 -2.772 -7.569 -4.471 1.00 0.00 C ATOM 355 CG ASN A 25 -3.945 -7.591 -3.489 1.00 0.00 C ATOM 356 OD1 ASN A 25 -3.803 -7.904 -2.319 1.00 0.00 O ATOM 357 ND2 ASN A 25 -5.110 -7.244 -4.030 1.00 0.00 N ATOM 0 H ASN A 25 -3.258 -6.572 -6.692 1.00 0.00 H new ATOM 0 HA ASN A 25 -2.894 -5.443 -4.159 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -3.038 -8.119 -5.374 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -1.914 -8.077 -4.030 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -5.954 -7.229 -3.457 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -5.159 -6.993 -5.017 1.00 0.00 H new ATOM 364 N PHE A 26 -0.446 -5.000 -3.970 1.00 0.00 N ATOM 365 CA PHE A 26 0.973 -4.759 -3.774 1.00 0.00 C ATOM 366 C PHE A 26 1.489 -5.496 -2.536 1.00 0.00 C ATOM 367 O PHE A 26 0.820 -5.527 -1.504 1.00 0.00 O ATOM 368 CB PHE A 26 1.146 -3.253 -3.564 1.00 0.00 C ATOM 369 CG PHE A 26 2.604 -2.801 -3.472 1.00 0.00 C ATOM 370 CD1 PHE A 26 3.266 -2.874 -2.286 1.00 0.00 C ATOM 371 CD2 PHE A 26 3.240 -2.325 -4.577 1.00 0.00 C ATOM 372 CE1 PHE A 26 4.619 -2.454 -2.201 1.00 0.00 C ATOM 373 CE2 PHE A 26 4.594 -1.905 -4.491 1.00 0.00 C ATOM 374 CZ PHE A 26 5.255 -1.979 -3.305 1.00 0.00 C ATOM 0 H PHE A 26 -1.061 -4.344 -3.489 1.00 0.00 H new ATOM 0 HA PHE A 26 1.534 -5.117 -4.637 1.00 0.00 H new ATOM 0 HB2 PHE A 26 0.664 -2.724 -4.386 1.00 0.00 H new ATOM 0 HB3 PHE A 26 0.628 -2.962 -2.650 1.00 0.00 H new ATOM 0 HD1 PHE A 26 2.762 -3.252 -1.409 1.00 0.00 H new ATOM 0 HD2 PHE A 26 2.715 -2.267 -5.519 1.00 0.00 H new ATOM 0 HE1 PHE A 26 5.144 -2.512 -1.259 1.00 0.00 H new ATOM 0 HE2 PHE A 26 5.099 -1.527 -5.368 1.00 0.00 H new ATOM 0 HZ PHE A 26 6.285 -1.661 -3.240 1.00 0.00 H new ATOM 384 N ASN A 27 2.673 -6.072 -2.681 1.00 0.00 N ATOM 385 CA ASN A 27 3.286 -6.807 -1.587 1.00 0.00 C ATOM 386 C ASN A 27 4.583 -6.110 -1.173 1.00 0.00 C ATOM 387 O ASN A 27 5.554 -6.097 -1.929 1.00 0.00 O ATOM 388 CB ASN A 27 3.632 -8.236 -2.010 1.00 0.00 C ATOM 389 CG ASN A 27 3.315 -9.231 -0.891 1.00 0.00 C ATOM 390 OD1 ASN A 27 2.660 -8.915 0.088 1.00 0.00 O ATOM 391 ND2 ASN A 27 3.815 -10.447 -1.091 1.00 0.00 N ATOM 0 H ASN A 27 3.224 -6.045 -3.539 1.00 0.00 H new ATOM 0 HA ASN A 27 2.575 -6.837 -0.761 1.00 0.00 H new ATOM 0 HB2 ASN A 27 3.070 -8.500 -2.906 1.00 0.00 H new ATOM 0 HB3 ASN A 27 4.689 -8.297 -2.267 1.00 0.00 H new ATOM 0 HD21 ASN A 27 3.659 -11.182 -0.402 1.00 0.00 H new ATOM 0 HD22 ASN A 27 4.355 -10.644 -1.934 1.00 0.00 H new ATOM 398 N ALA A 28 4.558 -5.546 0.025 1.00 0.00 N ATOM 399 CA ALA A 28 5.720 -4.848 0.549 1.00 0.00 C ATOM 400 C ALA A 28 6.958 -5.731 0.381 1.00 0.00 C ATOM 401 O ALA A 28 7.011 -6.839 0.911 1.00 0.00 O ATOM 402 CB ALA A 28 5.471 -4.465 2.009 1.00 0.00 C ATOM 0 H ALA A 28 3.751 -5.558 0.649 1.00 0.00 H new ATOM 0 HA ALA A 28 5.895 -3.925 -0.004 1.00 0.00 H new ATOM 0 HB1 ALA A 28 6.343 -3.942 2.402 1.00 0.00 H new ATOM 0 HB2 ALA A 28 4.599 -3.814 2.071 1.00 0.00 H new ATOM 0 HB3 ALA A 28 5.294 -5.366 2.596 1.00 0.00 H new ATOM 408 N ALA A 29 7.924 -5.206 -0.359 1.00 0.00 N ATOM 409 CA ALA A 29 9.158 -5.933 -0.604 1.00 0.00 C ATOM 410 C ALA A 29 10.292 -5.285 0.193 1.00 0.00 C ATOM 411 O ALA A 29 11.129 -5.981 0.765 1.00 0.00 O ATOM 412 CB ALA A 29 9.444 -5.962 -2.107 1.00 0.00 C ATOM 0 H ALA A 29 7.877 -4.286 -0.797 1.00 0.00 H new ATOM 0 HA ALA A 29 9.068 -6.967 -0.270 1.00 0.00 H new ATOM 0 HB1 ALA A 29 10.370 -6.507 -2.291 1.00 0.00 H new ATOM 0 HB2 ALA A 29 8.622 -6.457 -2.624 1.00 0.00 H new ATOM 0 HB3 ALA A 29 9.544 -4.942 -2.478 1.00 0.00 H new ATOM 418 N GLN A 30 10.284 -3.960 0.203 1.00 0.00 N ATOM 419 CA GLN A 30 11.301 -3.211 0.920 1.00 0.00 C ATOM 420 C GLN A 30 10.884 -3.009 2.378 1.00 0.00 C ATOM 421 O GLN A 30 9.897 -3.588 2.831 1.00 0.00 O ATOM 422 CB GLN A 30 11.577 -1.869 0.238 1.00 0.00 C ATOM 423 CG GLN A 30 12.076 -2.075 -1.194 1.00 0.00 C ATOM 424 CD GLN A 30 11.333 -1.160 -2.170 1.00 0.00 C ATOM 425 OE1 GLN A 30 11.499 0.048 -2.178 1.00 0.00 O ATOM 426 NE2 GLN A 30 10.505 -1.802 -2.989 1.00 0.00 N ATOM 0 H GLN A 30 9.589 -3.386 -0.274 1.00 0.00 H new ATOM 0 HA GLN A 30 12.226 -3.787 0.904 1.00 0.00 H new ATOM 0 HB2 GLN A 30 10.667 -1.268 0.227 1.00 0.00 H new ATOM 0 HB3 GLN A 30 12.320 -1.312 0.809 1.00 0.00 H new ATOM 0 HG2 GLN A 30 13.146 -1.873 -1.243 1.00 0.00 H new ATOM 0 HG3 GLN A 30 11.935 -3.116 -1.486 1.00 0.00 H new ATOM 0 HE21 GLN A 30 10.413 -2.816 -2.929 1.00 0.00 H new ATOM 0 HE22 GLN A 30 9.962 -1.280 -3.677 1.00 0.00 H new ATOM 435 N ASP A 31 11.655 -2.186 3.073 1.00 0.00 N ATOM 436 CA ASP A 31 11.378 -1.901 4.470 1.00 0.00 C ATOM 437 C ASP A 31 10.121 -1.033 4.569 1.00 0.00 C ATOM 438 O ASP A 31 9.089 -1.483 5.062 1.00 0.00 O ATOM 439 CB ASP A 31 12.534 -1.134 5.116 1.00 0.00 C ATOM 440 CG ASP A 31 13.239 -1.870 6.257 1.00 0.00 C ATOM 441 OD1 ASP A 31 14.113 -2.705 5.940 1.00 0.00 O ATOM 442 OD2 ASP A 31 12.888 -1.580 7.422 1.00 0.00 O ATOM 0 H ASP A 31 12.472 -1.707 2.694 1.00 0.00 H new ATOM 0 HA ASP A 31 11.242 -2.851 4.987 1.00 0.00 H new ATOM 0 HB2 ASP A 31 13.269 -0.898 4.346 1.00 0.00 H new ATOM 0 HB3 ASP A 31 12.154 -0.185 5.495 1.00 0.00 H new ATOM 447 N LEU A 32 10.251 0.197 4.093 1.00 0.00 N ATOM 448 CA LEU A 32 9.140 1.132 4.121 1.00 0.00 C ATOM 449 C LEU A 32 7.956 0.534 3.358 1.00 0.00 C ATOM 450 O LEU A 32 6.801 0.793 3.694 1.00 0.00 O ATOM 451 CB LEU A 32 9.578 2.502 3.600 1.00 0.00 C ATOM 452 CG LEU A 32 10.576 3.264 4.474 1.00 0.00 C ATOM 453 CD1 LEU A 32 11.966 2.631 4.399 1.00 0.00 C ATOM 454 CD2 LEU A 32 10.602 4.750 4.108 1.00 0.00 C ATOM 0 H LEU A 32 11.110 0.567 3.686 1.00 0.00 H new ATOM 0 HA LEU A 32 8.809 1.298 5.146 1.00 0.00 H new ATOM 0 HB2 LEU A 32 10.018 2.369 2.612 1.00 0.00 H new ATOM 0 HB3 LEU A 32 8.690 3.121 3.473 1.00 0.00 H new ATOM 0 HG LEU A 32 10.246 3.193 5.510 1.00 0.00 H new ATOM 0 HD11 LEU A 32 12.656 3.192 5.029 1.00 0.00 H new ATOM 0 HD12 LEU A 32 11.915 1.599 4.746 1.00 0.00 H new ATOM 0 HD13 LEU A 32 12.319 2.650 3.368 1.00 0.00 H new ATOM 0 HD21 LEU A 32 11.319 5.269 4.744 1.00 0.00 H new ATOM 0 HD22 LEU A 32 10.895 4.863 3.064 1.00 0.00 H new ATOM 0 HD23 LEU A 32 9.611 5.178 4.255 1.00 0.00 H new ATOM 466 N ASP A 33 8.284 -0.256 2.346 1.00 0.00 N ATOM 467 CA ASP A 33 7.262 -0.893 1.533 1.00 0.00 C ATOM 468 C ASP A 33 6.150 -1.423 2.441 1.00 0.00 C ATOM 469 O ASP A 33 6.425 -2.056 3.460 1.00 0.00 O ATOM 470 CB ASP A 33 7.838 -2.076 0.752 1.00 0.00 C ATOM 471 CG ASP A 33 7.910 -1.877 -0.764 1.00 0.00 C ATOM 472 OD1 ASP A 33 8.445 -0.823 -1.173 1.00 0.00 O ATOM 473 OD2 ASP A 33 7.429 -2.782 -1.479 1.00 0.00 O ATOM 0 H ASP A 33 9.243 -0.469 2.071 1.00 0.00 H new ATOM 0 HA ASP A 33 6.877 -0.151 0.833 1.00 0.00 H new ATOM 0 HB2 ASP A 33 8.841 -2.284 1.124 1.00 0.00 H new ATOM 0 HB3 ASP A 33 7.232 -2.958 0.959 1.00 0.00 H new ATOM 478 N VAL A 34 4.919 -1.145 2.039 1.00 0.00 N ATOM 479 CA VAL A 34 3.765 -1.586 2.804 1.00 0.00 C ATOM 480 C VAL A 34 2.747 -2.227 1.859 1.00 0.00 C ATOM 481 O VAL A 34 2.582 -1.782 0.724 1.00 0.00 O ATOM 482 CB VAL A 34 3.186 -0.414 3.600 1.00 0.00 C ATOM 483 CG1 VAL A 34 4.270 0.271 4.434 1.00 0.00 C ATOM 484 CG2 VAL A 34 2.491 0.587 2.675 1.00 0.00 C ATOM 0 H VAL A 34 4.695 -0.620 1.194 1.00 0.00 H new ATOM 0 HA VAL A 34 4.056 -2.344 3.531 1.00 0.00 H new ATOM 0 HB VAL A 34 2.438 -0.812 4.285 1.00 0.00 H new ATOM 0 HG11 VAL A 34 3.832 1.100 4.990 1.00 0.00 H new ATOM 0 HG12 VAL A 34 4.700 -0.447 5.132 1.00 0.00 H new ATOM 0 HG13 VAL A 34 5.052 0.649 3.775 1.00 0.00 H new ATOM 0 HG21 VAL A 34 2.089 1.410 3.266 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.210 0.976 1.954 1.00 0.00 H new ATOM 0 HG23 VAL A 34 1.679 0.090 2.145 1.00 0.00 H new ATOM 494 N SER A 35 2.091 -3.263 2.362 1.00 0.00 N ATOM 495 CA SER A 35 1.093 -3.970 1.577 1.00 0.00 C ATOM 496 C SER A 35 -0.080 -3.040 1.262 1.00 0.00 C ATOM 497 O SER A 35 -0.381 -2.131 2.034 1.00 0.00 O ATOM 498 CB SER A 35 0.599 -5.219 2.310 1.00 0.00 C ATOM 499 OG SER A 35 1.670 -6.093 2.655 1.00 0.00 O ATOM 0 H SER A 35 2.231 -3.630 3.303 1.00 0.00 H new ATOM 0 HA SER A 35 1.556 -4.289 0.643 1.00 0.00 H new ATOM 0 HB2 SER A 35 0.067 -4.922 3.214 1.00 0.00 H new ATOM 0 HB3 SER A 35 -0.115 -5.751 1.680 1.00 0.00 H new ATOM 0 HG SER A 35 1.314 -6.877 3.123 1.00 0.00 H new ATOM 505 N LEU A 36 -0.712 -3.300 0.126 1.00 0.00 N ATOM 506 CA LEU A 36 -1.846 -2.498 -0.300 1.00 0.00 C ATOM 507 C LEU A 36 -2.802 -3.369 -1.117 1.00 0.00 C ATOM 508 O LEU A 36 -2.382 -4.341 -1.742 1.00 0.00 O ATOM 509 CB LEU A 36 -1.369 -1.247 -1.040 1.00 0.00 C ATOM 510 CG LEU A 36 -0.571 -0.239 -0.209 1.00 0.00 C ATOM 511 CD1 LEU A 36 -0.012 0.878 -1.092 1.00 0.00 C ATOM 512 CD2 LEU A 36 -1.413 0.309 0.945 1.00 0.00 C ATOM 0 H LEU A 36 -0.460 -4.055 -0.512 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.403 -2.136 0.564 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -0.754 -1.560 -1.883 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -2.240 -0.739 -1.453 1.00 0.00 H new ATOM 0 HG LEU A 36 0.280 -0.757 0.232 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.551 1.581 -0.477 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.646 0.449 -1.848 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.834 1.401 -1.581 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.822 1.023 1.519 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -2.297 0.807 0.546 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -1.721 -0.512 1.593 1.00 0.00 H new ATOM 524 N LEU A 37 -4.071 -2.988 -1.086 1.00 0.00 N ATOM 525 CA LEU A 37 -5.091 -3.722 -1.816 1.00 0.00 C ATOM 526 C LEU A 37 -5.471 -2.942 -3.076 1.00 0.00 C ATOM 527 O LEU A 37 -5.560 -1.715 -3.048 1.00 0.00 O ATOM 528 CB LEU A 37 -6.280 -4.037 -0.906 1.00 0.00 C ATOM 529 CG LEU A 37 -6.087 -5.197 0.072 1.00 0.00 C ATOM 530 CD1 LEU A 37 -7.372 -5.474 0.855 1.00 0.00 C ATOM 531 CD2 LEU A 37 -5.576 -6.445 -0.651 1.00 0.00 C ATOM 0 H LEU A 37 -4.416 -2.181 -0.567 1.00 0.00 H new ATOM 0 HA LEU A 37 -4.705 -4.688 -2.142 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -6.521 -3.141 -0.333 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -7.144 -4.257 -1.533 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.325 -4.910 0.796 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -7.207 -6.303 1.543 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -7.653 -4.585 1.419 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -8.172 -5.732 0.161 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -5.447 -7.255 0.067 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -6.297 -6.746 -1.411 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -4.619 -6.225 -1.125 1.00 0.00 H new ATOM 543 N GLU A 38 -5.684 -3.685 -4.152 1.00 0.00 N ATOM 544 CA GLU A 38 -6.053 -3.078 -5.420 1.00 0.00 C ATOM 545 C GLU A 38 -7.189 -2.074 -5.217 1.00 0.00 C ATOM 546 O GLU A 38 -7.390 -1.184 -6.043 1.00 0.00 O ATOM 547 CB GLU A 38 -6.440 -4.145 -6.446 1.00 0.00 C ATOM 548 CG GLU A 38 -7.316 -5.226 -5.809 1.00 0.00 C ATOM 549 CD GLU A 38 -8.038 -6.047 -6.879 1.00 0.00 C ATOM 550 OE1 GLU A 38 -7.333 -6.555 -7.777 1.00 0.00 O ATOM 551 OE2 GLU A 38 -9.280 -6.148 -6.775 1.00 0.00 O ATOM 0 H GLU A 38 -5.608 -4.702 -4.172 1.00 0.00 H new ATOM 0 HA GLU A 38 -5.187 -2.543 -5.810 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -6.974 -3.681 -7.275 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -5.540 -4.599 -6.861 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -6.700 -5.883 -5.195 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -8.047 -4.763 -5.146 1.00 0.00 H new ATOM 558 N GLY A 39 -7.901 -2.249 -4.114 1.00 0.00 N ATOM 559 CA GLY A 39 -9.012 -1.369 -3.793 1.00 0.00 C ATOM 560 C GLY A 39 -8.563 -0.235 -2.868 1.00 0.00 C ATOM 561 O GLY A 39 -9.157 0.842 -2.868 1.00 0.00 O ATOM 0 H GLY A 39 -7.730 -2.987 -3.431 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -9.427 -0.952 -4.710 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -9.807 -1.941 -3.314 1.00 0.00 H new ATOM 565 N ASP A 40 -7.518 -0.517 -2.103 1.00 0.00 N ATOM 566 CA ASP A 40 -6.983 0.466 -1.176 1.00 0.00 C ATOM 567 C ASP A 40 -6.583 1.724 -1.949 1.00 0.00 C ATOM 568 O ASP A 40 -6.163 1.642 -3.102 1.00 0.00 O ATOM 569 CB ASP A 40 -5.739 -0.068 -0.465 1.00 0.00 C ATOM 570 CG ASP A 40 -6.016 -1.050 0.675 1.00 0.00 C ATOM 571 OD1 ASP A 40 -7.148 -1.000 1.204 1.00 0.00 O ATOM 572 OD2 ASP A 40 -5.091 -1.828 0.992 1.00 0.00 O ATOM 0 H ASP A 40 -7.028 -1.412 -2.106 1.00 0.00 H new ATOM 0 HA ASP A 40 -7.753 0.687 -0.437 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -5.102 -0.559 -1.200 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -5.176 0.776 -0.068 1.00 0.00 H new ATOM 577 N LEU A 41 -6.727 2.860 -1.282 1.00 0.00 N ATOM 578 CA LEU A 41 -6.386 4.134 -1.892 1.00 0.00 C ATOM 579 C LEU A 41 -5.241 4.779 -1.108 1.00 0.00 C ATOM 580 O LEU A 41 -5.188 4.677 0.117 1.00 0.00 O ATOM 581 CB LEU A 41 -7.627 5.021 -2.010 1.00 0.00 C ATOM 582 CG LEU A 41 -7.549 6.150 -3.040 1.00 0.00 C ATOM 583 CD1 LEU A 41 -7.283 5.595 -4.441 1.00 0.00 C ATOM 584 CD2 LEU A 41 -8.807 7.019 -2.997 1.00 0.00 C ATOM 0 H LEU A 41 -7.075 2.925 -0.325 1.00 0.00 H new ATOM 0 HA LEU A 41 -6.031 3.986 -2.912 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -8.479 4.388 -2.258 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -7.829 5.460 -1.033 1.00 0.00 H new ATOM 0 HG LEU A 41 -6.706 6.791 -2.782 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -7.232 6.417 -5.155 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -6.337 5.053 -4.444 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -8.090 4.919 -4.724 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -8.726 7.814 -3.739 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -9.681 6.405 -3.217 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -8.912 7.458 -2.005 1.00 0.00 H new ATOM 596 N VAL A 42 -4.354 5.430 -1.846 1.00 0.00 N ATOM 597 CA VAL A 42 -3.213 6.092 -1.235 1.00 0.00 C ATOM 598 C VAL A 42 -3.084 7.505 -1.805 1.00 0.00 C ATOM 599 O VAL A 42 -3.584 7.788 -2.893 1.00 0.00 O ATOM 600 CB VAL A 42 -1.952 5.249 -1.433 1.00 0.00 C ATOM 601 CG1 VAL A 42 -2.164 3.818 -0.936 1.00 0.00 C ATOM 602 CG2 VAL A 42 -1.509 5.261 -2.898 1.00 0.00 C ATOM 0 H VAL A 42 -4.402 5.513 -2.861 1.00 0.00 H new ATOM 0 HA VAL A 42 -3.357 6.188 -0.159 1.00 0.00 H new ATOM 0 HB VAL A 42 -1.155 5.695 -0.838 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -1.252 3.241 -1.089 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -2.409 3.834 0.126 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -2.982 3.358 -1.490 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.611 4.654 -3.011 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -2.304 4.852 -3.522 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -1.297 6.285 -3.205 1.00 0.00 H new ATOM 612 N GLY A 43 -2.410 8.356 -1.045 1.00 0.00 N ATOM 613 CA GLY A 43 -2.209 9.734 -1.461 1.00 0.00 C ATOM 614 C GLY A 43 -0.718 10.070 -1.541 1.00 0.00 C ATOM 615 O GLY A 43 -0.060 10.234 -0.515 1.00 0.00 O ATOM 0 H GLY A 43 -1.996 8.118 -0.144 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -2.675 9.896 -2.433 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -2.700 10.406 -0.757 1.00 0.00 H new ATOM 619 N VAL A 44 -0.230 10.162 -2.769 1.00 0.00 N ATOM 620 CA VAL A 44 1.171 10.476 -2.996 1.00 0.00 C ATOM 621 C VAL A 44 1.592 11.613 -2.062 1.00 0.00 C ATOM 622 O VAL A 44 0.939 12.654 -2.013 1.00 0.00 O ATOM 623 CB VAL A 44 1.402 10.799 -4.473 1.00 0.00 C ATOM 624 CG1 VAL A 44 2.702 11.582 -4.666 1.00 0.00 C ATOM 625 CG2 VAL A 44 1.398 9.525 -5.320 1.00 0.00 C ATOM 0 H VAL A 44 -0.779 10.025 -3.617 1.00 0.00 H new ATOM 0 HA VAL A 44 1.798 9.615 -2.764 1.00 0.00 H new ATOM 0 HB VAL A 44 0.579 11.428 -4.811 1.00 0.00 H new ATOM 0 HG11 VAL A 44 2.842 11.799 -5.725 1.00 0.00 H new ATOM 0 HG12 VAL A 44 2.650 12.517 -4.108 1.00 0.00 H new ATOM 0 HG13 VAL A 44 3.541 10.989 -4.303 1.00 0.00 H new ATOM 0 HG21 VAL A 44 1.564 9.783 -6.366 1.00 0.00 H new ATOM 0 HG22 VAL A 44 2.191 8.859 -4.980 1.00 0.00 H new ATOM 0 HG23 VAL A 44 0.435 9.024 -5.219 1.00 0.00 H new ATOM 635 N ILE A 45 2.680 11.375 -1.345 1.00 0.00 N ATOM 636 CA ILE A 45 3.196 12.366 -0.416 1.00 0.00 C ATOM 637 C ILE A 45 4.434 13.031 -1.022 1.00 0.00 C ATOM 638 O ILE A 45 4.500 14.255 -1.122 1.00 0.00 O ATOM 639 CB ILE A 45 3.446 11.736 0.955 1.00 0.00 C ATOM 640 CG1 ILE A 45 2.152 11.666 1.770 1.00 0.00 C ATOM 641 CG2 ILE A 45 4.556 12.475 1.705 1.00 0.00 C ATOM 642 CD1 ILE A 45 2.304 10.716 2.959 1.00 0.00 C ATOM 0 H ILE A 45 3.219 10.510 -1.389 1.00 0.00 H new ATOM 0 HA ILE A 45 2.460 13.152 -0.250 1.00 0.00 H new ATOM 0 HB ILE A 45 3.787 10.712 0.803 1.00 0.00 H new ATOM 0 HG12 ILE A 45 1.888 12.662 2.127 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.334 11.329 1.133 1.00 0.00 H new ATOM 0 HG21 ILE A 45 4.713 12.006 2.676 1.00 0.00 H new ATOM 0 HG22 ILE A 45 5.479 12.429 1.127 1.00 0.00 H new ATOM 0 HG23 ILE A 45 4.268 13.517 1.847 1.00 0.00 H new ATOM 0 HD11 ILE A 45 1.371 10.685 3.521 1.00 0.00 H new ATOM 0 HD12 ILE A 45 2.544 9.716 2.597 1.00 0.00 H new ATOM 0 HD13 ILE A 45 3.106 11.069 3.607 1.00 0.00 H new ATOM 654 N LYS A 46 5.385 12.194 -1.411 1.00 0.00 N ATOM 655 CA LYS A 46 6.617 12.685 -2.004 1.00 0.00 C ATOM 656 C LYS A 46 6.870 11.954 -3.324 1.00 0.00 C ATOM 657 O LYS A 46 6.479 10.798 -3.482 1.00 0.00 O ATOM 658 CB LYS A 46 7.773 12.573 -1.008 1.00 0.00 C ATOM 659 CG LYS A 46 8.295 13.957 -0.616 1.00 0.00 C ATOM 660 CD LYS A 46 9.267 13.863 0.562 1.00 0.00 C ATOM 661 CE LYS A 46 8.941 14.912 1.627 1.00 0.00 C ATOM 662 NZ LYS A 46 9.261 16.270 1.132 1.00 0.00 N ATOM 0 H LYS A 46 5.327 11.179 -1.327 1.00 0.00 H new ATOM 0 HA LYS A 46 6.530 13.746 -2.238 1.00 0.00 H new ATOM 0 HB2 LYS A 46 7.440 12.040 -0.117 1.00 0.00 H new ATOM 0 HB3 LYS A 46 8.580 11.987 -1.447 1.00 0.00 H new ATOM 0 HG2 LYS A 46 8.795 14.416 -1.469 1.00 0.00 H new ATOM 0 HG3 LYS A 46 7.458 14.604 -0.351 1.00 0.00 H new ATOM 0 HD2 LYS A 46 9.217 12.866 1.001 1.00 0.00 H new ATOM 0 HD3 LYS A 46 10.288 14.004 0.208 1.00 0.00 H new ATOM 0 HE2 LYS A 46 7.885 14.854 1.891 1.00 0.00 H new ATOM 0 HE3 LYS A 46 9.509 14.706 2.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 9.034 16.970 1.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 10.274 16.326 0.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 8.701 16.470 0.279 1.00 0.00 H new ATOM 676 N LYS A 47 7.522 12.657 -4.238 1.00 0.00 N ATOM 677 CA LYS A 47 7.831 12.089 -5.539 1.00 0.00 C ATOM 678 C LYS A 47 9.324 11.759 -5.605 1.00 0.00 C ATOM 679 O LYS A 47 9.892 11.652 -6.690 1.00 0.00 O ATOM 680 CB LYS A 47 7.358 13.021 -6.657 1.00 0.00 C ATOM 681 CG LYS A 47 5.830 13.082 -6.709 1.00 0.00 C ATOM 682 CD LYS A 47 5.346 13.534 -8.088 1.00 0.00 C ATOM 683 CE LYS A 47 3.864 13.207 -8.283 1.00 0.00 C ATOM 684 NZ LYS A 47 3.021 14.121 -7.481 1.00 0.00 N ATOM 0 H LYS A 47 7.845 13.615 -4.103 1.00 0.00 H new ATOM 0 HA LYS A 47 7.290 11.154 -5.684 1.00 0.00 H new ATOM 0 HB2 LYS A 47 7.760 14.021 -6.496 1.00 0.00 H new ATOM 0 HB3 LYS A 47 7.745 12.672 -7.615 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.415 12.101 -6.478 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.464 13.771 -5.947 1.00 0.00 H new ATOM 0 HD2 LYS A 47 5.503 14.607 -8.199 1.00 0.00 H new ATOM 0 HD3 LYS A 47 5.935 13.044 -8.863 1.00 0.00 H new ATOM 0 HE2 LYS A 47 3.602 13.293 -9.338 1.00 0.00 H new ATOM 0 HE3 LYS A 47 3.672 12.175 -7.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 2.018 13.885 -7.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 3.259 14.019 -6.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 3.192 15.102 -7.779 1.00 0.00 H new ATOM 698 N LYS A 48 9.916 11.607 -4.429 1.00 0.00 N ATOM 699 CA LYS A 48 11.331 11.292 -4.340 1.00 0.00 C ATOM 700 C LYS A 48 11.627 10.677 -2.970 1.00 0.00 C ATOM 701 O LYS A 48 11.046 11.084 -1.965 1.00 0.00 O ATOM 702 CB LYS A 48 12.177 12.527 -4.654 1.00 0.00 C ATOM 703 CG LYS A 48 13.310 12.184 -5.624 1.00 0.00 C ATOM 704 CD LYS A 48 14.475 13.164 -5.474 1.00 0.00 C ATOM 705 CE LYS A 48 14.944 13.671 -6.840 1.00 0.00 C ATOM 706 NZ LYS A 48 16.251 13.074 -7.194 1.00 0.00 N ATOM 0 H LYS A 48 9.441 11.696 -3.531 1.00 0.00 H new ATOM 0 HA LYS A 48 11.603 10.549 -5.090 1.00 0.00 H new ATOM 0 HB2 LYS A 48 11.546 13.304 -5.086 1.00 0.00 H new ATOM 0 HB3 LYS A 48 12.593 12.931 -3.731 1.00 0.00 H new ATOM 0 HG2 LYS A 48 13.658 11.168 -5.437 1.00 0.00 H new ATOM 0 HG3 LYS A 48 12.937 12.210 -6.648 1.00 0.00 H new ATOM 0 HD2 LYS A 48 14.168 14.007 -4.855 1.00 0.00 H new ATOM 0 HD3 LYS A 48 15.302 12.675 -4.960 1.00 0.00 H new ATOM 0 HE2 LYS A 48 14.205 13.420 -7.601 1.00 0.00 H new ATOM 0 HE3 LYS A 48 15.027 14.758 -6.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 16.554 13.429 -8.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 16.957 13.335 -6.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 16.161 12.039 -7.231 1.00 0.00 H new ATOM 720 N ASP A 49 12.529 9.706 -2.975 1.00 0.00 N ATOM 721 CA ASP A 49 12.908 9.031 -1.745 1.00 0.00 C ATOM 722 C ASP A 49 14.200 9.649 -1.207 1.00 0.00 C ATOM 723 O ASP A 49 14.902 10.356 -1.929 1.00 0.00 O ATOM 724 CB ASP A 49 13.161 7.542 -1.990 1.00 0.00 C ATOM 725 CG ASP A 49 14.602 7.184 -2.360 1.00 0.00 C ATOM 726 OD1 ASP A 49 15.238 8.019 -3.037 1.00 0.00 O ATOM 727 OD2 ASP A 49 15.034 6.083 -1.956 1.00 0.00 O ATOM 0 H ASP A 49 13.008 9.371 -3.811 1.00 0.00 H new ATOM 0 HA ASP A 49 12.092 9.145 -1.032 1.00 0.00 H new ATOM 0 HB2 ASP A 49 12.884 6.989 -1.092 1.00 0.00 H new ATOM 0 HB3 ASP A 49 12.502 7.203 -2.789 1.00 0.00 H new ATOM 732 N PRO A 50 14.483 9.351 0.089 1.00 0.00 N ATOM 733 CA PRO A 50 15.679 9.869 0.732 1.00 0.00 C ATOM 734 C PRO A 50 16.926 9.123 0.252 1.00 0.00 C ATOM 735 O PRO A 50 17.599 8.460 1.040 1.00 0.00 O ATOM 736 CB PRO A 50 15.426 9.706 2.222 1.00 0.00 C ATOM 737 CG PRO A 50 14.308 8.684 2.346 1.00 0.00 C ATOM 738 CD PRO A 50 13.676 8.516 0.974 1.00 0.00 C ATOM 0 HA PRO A 50 15.871 10.913 0.486 1.00 0.00 H new ATOM 0 HB2 PRO A 50 16.325 9.366 2.736 1.00 0.00 H new ATOM 0 HB3 PRO A 50 15.140 10.655 2.676 1.00 0.00 H new ATOM 0 HG2 PRO A 50 14.699 7.732 2.705 1.00 0.00 H new ATOM 0 HG3 PRO A 50 13.565 9.017 3.070 1.00 0.00 H new ATOM 0 HD2 PRO A 50 13.690 7.473 0.656 1.00 0.00 H new ATOM 0 HD3 PRO A 50 12.633 8.834 0.977 1.00 0.00 H new ATOM 746 N MET A 51 17.197 9.258 -1.038 1.00 0.00 N ATOM 747 CA MET A 51 18.351 8.605 -1.632 1.00 0.00 C ATOM 748 C MET A 51 18.584 9.098 -3.061 1.00 0.00 C ATOM 749 O MET A 51 19.636 9.659 -3.364 1.00 0.00 O ATOM 750 CB MET A 51 18.132 7.091 -1.643 1.00 0.00 C ATOM 751 CG MET A 51 18.594 6.460 -0.328 1.00 0.00 C ATOM 752 SD MET A 51 19.289 4.846 -0.636 1.00 0.00 S ATOM 753 CE MET A 51 18.365 3.879 0.547 1.00 0.00 C ATOM 0 H MET A 51 16.637 9.810 -1.688 1.00 0.00 H new ATOM 0 HA MET A 51 19.230 8.849 -1.036 1.00 0.00 H new ATOM 0 HB2 MET A 51 17.076 6.874 -1.803 1.00 0.00 H new ATOM 0 HB3 MET A 51 18.678 6.647 -2.475 1.00 0.00 H new ATOM 0 HG2 MET A 51 19.336 7.099 0.151 1.00 0.00 H new ATOM 0 HG3 MET A 51 17.753 6.377 0.360 1.00 0.00 H new ATOM 0 HE1 MET A 51 18.677 2.836 0.488 1.00 0.00 H new ATOM 0 HE2 MET A 51 18.553 4.257 1.552 1.00 0.00 H new ATOM 0 HE3 MET A 51 17.300 3.952 0.325 1.00 0.00 H new ATOM 763 N GLY A 52 17.586 8.871 -3.902 1.00 0.00 N ATOM 764 CA GLY A 52 17.669 9.285 -5.292 1.00 0.00 C ATOM 765 C GLY A 52 16.965 8.281 -6.206 1.00 0.00 C ATOM 766 O GLY A 52 17.617 7.553 -6.953 1.00 0.00 O ATOM 0 H GLY A 52 16.715 8.405 -3.647 1.00 0.00 H new ATOM 0 HA2 GLY A 52 17.216 10.269 -5.410 1.00 0.00 H new ATOM 0 HA3 GLY A 52 18.715 9.378 -5.586 1.00 0.00 H new ATOM 770 N SER A 53 15.643 8.273 -6.118 1.00 0.00 N ATOM 771 CA SER A 53 14.844 7.370 -6.928 1.00 0.00 C ATOM 772 C SER A 53 13.507 8.026 -7.279 1.00 0.00 C ATOM 773 O SER A 53 12.585 8.040 -6.465 1.00 0.00 O ATOM 774 CB SER A 53 14.609 6.042 -6.204 1.00 0.00 C ATOM 775 OG SER A 53 15.405 4.991 -6.744 1.00 0.00 O ATOM 0 H SER A 53 15.105 8.878 -5.498 1.00 0.00 H new ATOM 0 HA SER A 53 15.391 7.160 -7.847 1.00 0.00 H new ATOM 0 HB2 SER A 53 14.837 6.161 -5.145 1.00 0.00 H new ATOM 0 HB3 SER A 53 13.555 5.772 -6.275 1.00 0.00 H new ATOM 0 HG SER A 53 15.227 4.161 -6.254 1.00 0.00 H new ATOM 781 N GLN A 54 13.445 8.554 -8.493 1.00 0.00 N ATOM 782 CA GLN A 54 12.236 9.210 -8.963 1.00 0.00 C ATOM 783 C GLN A 54 11.202 8.169 -9.396 1.00 0.00 C ATOM 784 O GLN A 54 10.062 8.513 -9.706 1.00 0.00 O ATOM 785 CB GLN A 54 12.548 10.181 -10.103 1.00 0.00 C ATOM 786 CG GLN A 54 13.392 9.505 -11.184 1.00 0.00 C ATOM 787 CD GLN A 54 12.778 9.714 -12.570 1.00 0.00 C ATOM 788 OE1 GLN A 54 13.146 10.608 -13.313 1.00 0.00 O ATOM 789 NE2 GLN A 54 11.822 8.840 -12.875 1.00 0.00 N ATOM 0 H GLN A 54 14.212 8.541 -9.165 1.00 0.00 H new ATOM 0 HA GLN A 54 11.816 9.790 -8.141 1.00 0.00 H new ATOM 0 HB2 GLN A 54 11.618 10.547 -10.539 1.00 0.00 H new ATOM 0 HB3 GLN A 54 13.079 11.048 -9.711 1.00 0.00 H new ATOM 0 HG2 GLN A 54 14.404 9.909 -11.166 1.00 0.00 H new ATOM 0 HG3 GLN A 54 13.471 8.438 -10.975 1.00 0.00 H new ATOM 0 HE21 GLN A 54 11.562 8.115 -12.206 1.00 0.00 H new ATOM 0 HE22 GLN A 54 11.350 8.895 -13.777 1.00 0.00 H new ATOM 798 N ASN A 55 11.636 6.918 -9.405 1.00 0.00 N ATOM 799 CA ASN A 55 10.761 5.825 -9.796 1.00 0.00 C ATOM 800 C ASN A 55 9.903 5.411 -8.598 1.00 0.00 C ATOM 801 O ASN A 55 8.771 4.962 -8.768 1.00 0.00 O ATOM 802 CB ASN A 55 11.570 4.605 -10.242 1.00 0.00 C ATOM 803 CG ASN A 55 12.440 4.937 -11.456 1.00 0.00 C ATOM 804 OD1 ASN A 55 13.632 5.172 -11.352 1.00 0.00 O ATOM 805 ND2 ASN A 55 11.778 4.945 -12.609 1.00 0.00 N ATOM 0 H ASN A 55 12.582 6.636 -9.148 1.00 0.00 H new ATOM 0 HA ASN A 55 10.140 6.169 -10.624 1.00 0.00 H new ATOM 0 HB2 ASN A 55 12.200 4.263 -9.421 1.00 0.00 H new ATOM 0 HB3 ASN A 55 10.894 3.786 -10.488 1.00 0.00 H new ATOM 0 HD21 ASN A 55 12.269 5.157 -13.478 1.00 0.00 H new ATOM 0 HD22 ASN A 55 10.779 4.739 -12.625 1.00 0.00 H new ATOM 812 N ARG A 56 10.475 5.578 -7.415 1.00 0.00 N ATOM 813 CA ARG A 56 9.777 5.227 -6.190 1.00 0.00 C ATOM 814 C ARG A 56 9.230 6.485 -5.512 1.00 0.00 C ATOM 815 O ARG A 56 9.963 7.451 -5.305 1.00 0.00 O ATOM 816 CB ARG A 56 10.704 4.494 -5.218 1.00 0.00 C ATOM 817 CG ARG A 56 9.899 3.703 -4.185 1.00 0.00 C ATOM 818 CD ARG A 56 10.807 2.771 -3.380 1.00 0.00 C ATOM 819 NE ARG A 56 11.537 3.542 -2.349 1.00 0.00 N ATOM 820 CZ ARG A 56 12.670 3.130 -1.764 1.00 0.00 C ATOM 821 NH1 ARG A 56 13.209 1.951 -2.104 1.00 0.00 N ATOM 822 NH2 ARG A 56 13.263 3.896 -0.838 1.00 0.00 N ATOM 0 H ARG A 56 11.414 5.952 -7.279 1.00 0.00 H new ATOM 0 HA ARG A 56 8.953 4.566 -6.456 1.00 0.00 H new ATOM 0 HB2 ARG A 56 11.356 3.818 -5.771 1.00 0.00 H new ATOM 0 HB3 ARG A 56 11.347 5.213 -4.710 1.00 0.00 H new ATOM 0 HG2 ARG A 56 9.389 4.391 -3.511 1.00 0.00 H new ATOM 0 HG3 ARG A 56 9.128 3.120 -4.688 1.00 0.00 H new ATOM 0 HD2 ARG A 56 10.212 1.989 -2.908 1.00 0.00 H new ATOM 0 HD3 ARG A 56 11.515 2.276 -4.045 1.00 0.00 H new ATOM 0 HE ARG A 56 11.154 4.444 -2.066 1.00 0.00 H new ATOM 0 HH11 ARG A 56 12.757 1.368 -2.808 1.00 0.00 H new ATOM 0 HH12 ARG A 56 14.071 1.637 -1.659 1.00 0.00 H new ATOM 0 HH21 ARG A 56 12.852 4.793 -0.578 1.00 0.00 H new ATOM 0 HH22 ARG A 56 14.125 3.582 -0.393 1.00 0.00 H new ATOM 836 N TRP A 57 7.947 6.433 -5.186 1.00 0.00 N ATOM 837 CA TRP A 57 7.294 7.556 -4.536 1.00 0.00 C ATOM 838 C TRP A 57 6.818 7.093 -3.157 1.00 0.00 C ATOM 839 O TRP A 57 6.751 5.895 -2.890 1.00 0.00 O ATOM 840 CB TRP A 57 6.163 8.111 -5.404 1.00 0.00 C ATOM 841 CG TRP A 57 6.641 8.800 -6.684 1.00 0.00 C ATOM 842 CD1 TRP A 57 7.893 9.144 -7.017 1.00 0.00 C ATOM 843 CD2 TRP A 57 5.820 9.217 -7.794 1.00 0.00 C ATOM 844 NE1 TRP A 57 7.938 9.750 -8.256 1.00 0.00 N ATOM 845 CE2 TRP A 57 6.637 9.796 -8.744 1.00 0.00 C ATOM 846 CE3 TRP A 57 4.432 9.109 -7.990 1.00 0.00 C ATOM 847 CZ2 TRP A 57 6.159 10.311 -9.955 1.00 0.00 C ATOM 848 CZ3 TRP A 57 3.970 9.629 -9.205 1.00 0.00 C ATOM 849 CH2 TRP A 57 4.780 10.215 -10.171 1.00 0.00 C ATOM 0 H TRP A 57 7.342 5.630 -5.360 1.00 0.00 H new ATOM 0 HA TRP A 57 7.991 8.383 -4.404 1.00 0.00 H new ATOM 0 HB2 TRP A 57 5.491 7.296 -5.672 1.00 0.00 H new ATOM 0 HB3 TRP A 57 5.583 8.822 -4.816 1.00 0.00 H new ATOM 0 HD1 TRP A 57 8.758 8.969 -6.394 1.00 0.00 H new ATOM 0 HE1 TRP A 57 8.772 10.100 -8.727 1.00 0.00 H new ATOM 0 HE3 TRP A 57 3.774 8.660 -7.261 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 6.819 10.758 -10.683 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 2.910 9.571 -9.406 1.00 0.00 H new ATOM 0 HH2 TRP A 57 4.347 10.595 -11.084 1.00 0.00 H new ATOM 860 N LEU A 58 6.498 8.068 -2.319 1.00 0.00 N ATOM 861 CA LEU A 58 6.030 7.775 -0.975 1.00 0.00 C ATOM 862 C LEU A 58 4.536 8.090 -0.880 1.00 0.00 C ATOM 863 O LEU A 58 4.103 9.181 -1.249 1.00 0.00 O ATOM 864 CB LEU A 58 6.880 8.513 0.061 1.00 0.00 C ATOM 865 CG LEU A 58 6.312 8.564 1.481 1.00 0.00 C ATOM 866 CD1 LEU A 58 6.637 7.281 2.248 1.00 0.00 C ATOM 867 CD2 LEU A 58 6.798 9.812 2.221 1.00 0.00 C ATOM 0 H LEU A 58 6.554 9.061 -2.545 1.00 0.00 H new ATOM 0 HA LEU A 58 6.148 6.714 -0.754 1.00 0.00 H new ATOM 0 HB2 LEU A 58 7.861 8.040 0.100 1.00 0.00 H new ATOM 0 HB3 LEU A 58 7.033 9.535 -0.285 1.00 0.00 H new ATOM 0 HG LEU A 58 5.226 8.632 1.412 1.00 0.00 H new ATOM 0 HD11 LEU A 58 6.222 7.343 3.254 1.00 0.00 H new ATOM 0 HD12 LEU A 58 6.203 6.427 1.729 1.00 0.00 H new ATOM 0 HD13 LEU A 58 7.718 7.157 2.309 1.00 0.00 H new ATOM 0 HD21 LEU A 58 6.380 9.824 3.228 1.00 0.00 H new ATOM 0 HD22 LEU A 58 7.886 9.799 2.280 1.00 0.00 H new ATOM 0 HD23 LEU A 58 6.474 10.703 1.683 1.00 0.00 H new ATOM 879 N ILE A 59 3.789 7.115 -0.384 1.00 0.00 N ATOM 880 CA ILE A 59 2.352 7.274 -0.237 1.00 0.00 C ATOM 881 C ILE A 59 1.941 6.868 1.180 1.00 0.00 C ATOM 882 O ILE A 59 2.714 6.235 1.897 1.00 0.00 O ATOM 883 CB ILE A 59 1.612 6.507 -1.335 1.00 0.00 C ATOM 884 CG1 ILE A 59 1.790 4.997 -1.164 1.00 0.00 C ATOM 885 CG2 ILE A 59 2.046 6.982 -2.723 1.00 0.00 C ATOM 886 CD1 ILE A 59 1.017 4.488 0.054 1.00 0.00 C ATOM 0 H ILE A 59 4.152 6.212 -0.079 1.00 0.00 H new ATOM 0 HA ILE A 59 2.070 8.319 -0.365 1.00 0.00 H new ATOM 0 HB ILE A 59 0.547 6.718 -1.241 1.00 0.00 H new ATOM 0 HG12 ILE A 59 1.443 4.483 -2.060 1.00 0.00 H new ATOM 0 HG13 ILE A 59 2.848 4.762 -1.051 1.00 0.00 H new ATOM 0 HG21 ILE A 59 1.505 6.421 -3.485 1.00 0.00 H new ATOM 0 HG22 ILE A 59 1.826 8.044 -2.829 1.00 0.00 H new ATOM 0 HG23 ILE A 59 3.117 6.820 -2.845 1.00 0.00 H new ATOM 0 HD11 ILE A 59 1.161 3.412 0.152 1.00 0.00 H new ATOM 0 HD12 ILE A 59 1.383 4.987 0.952 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -0.044 4.702 -0.073 1.00 0.00 H new ATOM 898 N ASP A 60 0.725 7.250 1.542 1.00 0.00 N ATOM 899 CA ASP A 60 0.202 6.934 2.860 1.00 0.00 C ATOM 900 C ASP A 60 -1.141 6.217 2.713 1.00 0.00 C ATOM 901 O ASP A 60 -2.046 6.717 2.047 1.00 0.00 O ATOM 902 CB ASP A 60 -0.028 8.205 3.681 1.00 0.00 C ATOM 903 CG ASP A 60 -0.227 7.979 5.181 1.00 0.00 C ATOM 904 OD1 ASP A 60 -1.015 7.069 5.518 1.00 0.00 O ATOM 905 OD2 ASP A 60 0.413 8.721 5.956 1.00 0.00 O ATOM 0 H ASP A 60 0.087 7.776 0.945 1.00 0.00 H new ATOM 0 HA ASP A 60 0.930 6.303 3.369 1.00 0.00 H new ATOM 0 HB2 ASP A 60 0.824 8.870 3.539 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -0.904 8.720 3.287 1.00 0.00 H new ATOM 910 N ASN A 61 -1.229 5.056 3.345 1.00 0.00 N ATOM 911 CA ASN A 61 -2.446 4.265 3.293 1.00 0.00 C ATOM 912 C ASN A 61 -3.331 4.619 4.491 1.00 0.00 C ATOM 913 O ASN A 61 -4.129 3.798 4.941 1.00 0.00 O ATOM 914 CB ASN A 61 -2.135 2.769 3.361 1.00 0.00 C ATOM 915 CG ASN A 61 -1.801 2.343 4.792 1.00 0.00 C ATOM 916 OD1 ASN A 61 -2.639 1.858 5.534 1.00 0.00 O ATOM 917 ND2 ASN A 61 -0.533 2.550 5.136 1.00 0.00 N ATOM 0 H ASN A 61 -0.476 4.644 3.896 1.00 0.00 H new ATOM 0 HA ASN A 61 -2.951 4.485 2.352 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -2.991 2.199 2.998 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -1.297 2.538 2.704 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -0.210 2.298 6.070 1.00 0.00 H new ATOM 0 HD22 ASN A 61 0.117 2.960 4.465 1.00 0.00 H new ATOM 924 N GLY A 62 -3.159 5.841 4.972 1.00 0.00 N ATOM 925 CA GLY A 62 -3.931 6.313 6.109 1.00 0.00 C ATOM 926 C GLY A 62 -3.619 5.493 7.362 1.00 0.00 C ATOM 927 O GLY A 62 -4.485 5.304 8.216 1.00 0.00 O ATOM 0 H GLY A 62 -2.496 6.519 4.595 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -3.708 7.364 6.293 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -4.995 6.247 5.883 1.00 0.00 H new ATOM 931 N VAL A 63 -2.381 5.027 7.433 1.00 0.00 N ATOM 932 CA VAL A 63 -1.944 4.232 8.568 1.00 0.00 C ATOM 933 C VAL A 63 -0.475 4.537 8.864 1.00 0.00 C ATOM 934 O VAL A 63 -0.133 4.947 9.972 1.00 0.00 O ATOM 935 CB VAL A 63 -2.205 2.748 8.298 1.00 0.00 C ATOM 936 CG1 VAL A 63 -1.754 1.889 9.481 1.00 0.00 C ATOM 937 CG2 VAL A 63 -3.678 2.501 7.970 1.00 0.00 C ATOM 0 H VAL A 63 -1.666 5.185 6.723 1.00 0.00 H new ATOM 0 HA VAL A 63 -2.515 4.492 9.459 1.00 0.00 H new ATOM 0 HB VAL A 63 -1.616 2.456 7.428 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -1.950 0.839 9.264 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -0.686 2.032 9.648 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -2.304 2.184 10.375 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -3.836 1.439 7.782 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -4.296 2.817 8.811 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -3.954 3.071 7.083 1.00 0.00 H new ATOM 947 N THR A 64 0.356 4.324 7.853 1.00 0.00 N ATOM 948 CA THR A 64 1.781 4.571 7.991 1.00 0.00 C ATOM 949 C THR A 64 2.343 5.182 6.706 1.00 0.00 C ATOM 950 O THR A 64 1.620 5.840 5.960 1.00 0.00 O ATOM 951 CB THR A 64 2.454 3.253 8.382 1.00 0.00 C ATOM 952 OG1 THR A 64 3.802 3.621 8.661 1.00 0.00 O ATOM 953 CG2 THR A 64 2.568 2.283 7.205 1.00 0.00 C ATOM 0 H THR A 64 0.069 3.983 6.935 1.00 0.00 H new ATOM 0 HA THR A 64 1.982 5.300 8.776 1.00 0.00 H new ATOM 0 HB THR A 64 1.890 2.782 9.187 1.00 0.00 H new ATOM 0 HG1 THR A 64 4.310 2.826 8.925 1.00 0.00 H new ATOM 0 HG21 THR A 64 3.052 1.364 7.536 1.00 0.00 H new ATOM 0 HG22 THR A 64 1.572 2.052 6.826 1.00 0.00 H new ATOM 0 HG23 THR A 64 3.161 2.740 6.413 1.00 0.00 H new ATOM 961 N LYS A 65 3.628 4.942 6.487 1.00 0.00 N ATOM 962 CA LYS A 65 4.295 5.461 5.305 1.00 0.00 C ATOM 963 C LYS A 65 5.030 4.320 4.598 1.00 0.00 C ATOM 964 O LYS A 65 5.749 3.551 5.235 1.00 0.00 O ATOM 965 CB LYS A 65 5.198 6.640 5.674 1.00 0.00 C ATOM 966 CG LYS A 65 4.393 7.936 5.777 1.00 0.00 C ATOM 967 CD LYS A 65 5.290 9.109 6.175 1.00 0.00 C ATOM 968 CE LYS A 65 4.489 10.410 6.256 1.00 0.00 C ATOM 969 NZ LYS A 65 5.312 11.490 6.846 1.00 0.00 N ATOM 0 H LYS A 65 4.224 4.395 7.108 1.00 0.00 H new ATOM 0 HA LYS A 65 3.566 5.857 4.598 1.00 0.00 H new ATOM 0 HB2 LYS A 65 5.694 6.439 6.624 1.00 0.00 H new ATOM 0 HB3 LYS A 65 5.980 6.752 4.923 1.00 0.00 H new ATOM 0 HG2 LYS A 65 3.914 8.148 4.821 1.00 0.00 H new ATOM 0 HG3 LYS A 65 3.597 7.816 6.512 1.00 0.00 H new ATOM 0 HD2 LYS A 65 5.756 8.904 7.139 1.00 0.00 H new ATOM 0 HD3 LYS A 65 6.095 9.218 5.449 1.00 0.00 H new ATOM 0 HE2 LYS A 65 4.156 10.701 5.260 1.00 0.00 H new ATOM 0 HE3 LYS A 65 3.594 10.256 6.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 4.753 12.366 6.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 5.609 11.216 7.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 6.153 11.648 6.255 1.00 0.00 H new ATOM 983 N GLY A 66 4.825 4.247 3.291 1.00 0.00 N ATOM 984 CA GLY A 66 5.459 3.213 2.491 1.00 0.00 C ATOM 985 C GLY A 66 5.881 3.759 1.126 1.00 0.00 C ATOM 986 O GLY A 66 5.360 4.777 0.672 1.00 0.00 O ATOM 0 H GLY A 66 4.229 4.887 2.766 1.00 0.00 H new ATOM 0 HA2 GLY A 66 6.331 2.825 3.017 1.00 0.00 H new ATOM 0 HA3 GLY A 66 4.770 2.379 2.356 1.00 0.00 H new ATOM 990 N PHE A 67 6.821 3.058 0.509 1.00 0.00 N ATOM 991 CA PHE A 67 7.320 3.460 -0.796 1.00 0.00 C ATOM 992 C PHE A 67 7.012 2.396 -1.851 1.00 0.00 C ATOM 993 O PHE A 67 7.294 1.216 -1.649 1.00 0.00 O ATOM 994 CB PHE A 67 8.837 3.611 -0.668 1.00 0.00 C ATOM 995 CG PHE A 67 9.285 4.980 -0.154 1.00 0.00 C ATOM 996 CD1 PHE A 67 9.413 5.196 1.182 1.00 0.00 C ATOM 997 CD2 PHE A 67 9.554 5.982 -1.034 1.00 0.00 C ATOM 998 CE1 PHE A 67 9.829 6.468 1.659 1.00 0.00 C ATOM 999 CE2 PHE A 67 9.970 7.253 -0.557 1.00 0.00 C ATOM 1000 CZ PHE A 67 10.098 7.469 0.779 1.00 0.00 C ATOM 0 H PHE A 67 7.250 2.214 0.888 1.00 0.00 H new ATOM 0 HA PHE A 67 6.844 4.390 -1.107 1.00 0.00 H new ATOM 0 HB2 PHE A 67 9.213 2.841 0.005 1.00 0.00 H new ATOM 0 HB3 PHE A 67 9.293 3.433 -1.642 1.00 0.00 H new ATOM 0 HD1 PHE A 67 9.199 4.401 1.881 1.00 0.00 H new ATOM 0 HD2 PHE A 67 9.451 5.811 -2.095 1.00 0.00 H new ATOM 0 HE1 PHE A 67 9.932 6.640 2.720 1.00 0.00 H new ATOM 0 HE2 PHE A 67 10.185 8.048 -1.256 1.00 0.00 H new ATOM 0 HZ PHE A 67 10.414 8.436 1.142 1.00 0.00 H new ATOM 1010 N VAL A 68 6.437 2.852 -2.955 1.00 0.00 N ATOM 1011 CA VAL A 68 6.088 1.954 -4.042 1.00 0.00 C ATOM 1012 C VAL A 68 6.297 2.671 -5.377 1.00 0.00 C ATOM 1013 O VAL A 68 6.445 3.892 -5.414 1.00 0.00 O ATOM 1014 CB VAL A 68 4.659 1.439 -3.858 1.00 0.00 C ATOM 1015 CG1 VAL A 68 4.539 0.600 -2.584 1.00 0.00 C ATOM 1016 CG2 VAL A 68 3.657 2.595 -3.850 1.00 0.00 C ATOM 0 H VAL A 68 6.204 3.831 -3.119 1.00 0.00 H new ATOM 0 HA VAL A 68 6.738 1.079 -4.037 1.00 0.00 H new ATOM 0 HB VAL A 68 4.422 0.796 -4.706 1.00 0.00 H new ATOM 0 HG11 VAL A 68 3.514 0.246 -2.477 1.00 0.00 H new ATOM 0 HG12 VAL A 68 5.213 -0.254 -2.646 1.00 0.00 H new ATOM 0 HG13 VAL A 68 4.805 1.210 -1.720 1.00 0.00 H new ATOM 0 HG21 VAL A 68 2.649 2.202 -3.718 1.00 0.00 H new ATOM 0 HG22 VAL A 68 3.892 3.274 -3.031 1.00 0.00 H new ATOM 0 HG23 VAL A 68 3.715 3.134 -4.796 1.00 0.00 H new ATOM 1026 N TYR A 69 6.303 1.883 -6.442 1.00 0.00 N ATOM 1027 CA TYR A 69 6.492 2.427 -7.776 1.00 0.00 C ATOM 1028 C TYR A 69 5.162 2.896 -8.370 1.00 0.00 C ATOM 1029 O TYR A 69 4.195 2.138 -8.410 1.00 0.00 O ATOM 1030 CB TYR A 69 7.041 1.280 -8.626 1.00 0.00 C ATOM 1031 CG TYR A 69 8.287 0.613 -8.041 1.00 0.00 C ATOM 1032 CD1 TYR A 69 9.376 1.381 -7.680 1.00 0.00 C ATOM 1033 CD2 TYR A 69 8.323 -0.757 -7.875 1.00 0.00 C ATOM 1034 CE1 TYR A 69 10.549 0.753 -7.129 1.00 0.00 C ATOM 1035 CE2 TYR A 69 9.497 -1.385 -7.324 1.00 0.00 C ATOM 1036 CZ TYR A 69 10.551 -0.599 -6.978 1.00 0.00 C ATOM 1037 OH TYR A 69 11.659 -1.192 -6.458 1.00 0.00 O ATOM 0 H TYR A 69 6.180 0.871 -6.408 1.00 0.00 H new ATOM 0 HA TYR A 69 7.164 3.285 -7.749 1.00 0.00 H new ATOM 0 HB2 TYR A 69 6.262 0.527 -8.749 1.00 0.00 H new ATOM 0 HB3 TYR A 69 7.277 1.659 -9.620 1.00 0.00 H new ATOM 0 HD1 TYR A 69 9.348 2.453 -7.811 1.00 0.00 H new ATOM 0 HD2 TYR A 69 7.471 -1.358 -8.158 1.00 0.00 H new ATOM 0 HE1 TYR A 69 11.408 1.342 -6.842 1.00 0.00 H new ATOM 0 HE2 TYR A 69 9.539 -2.456 -7.189 1.00 0.00 H new ATOM 0 HH TYR A 69 11.518 -2.160 -6.407 1.00 0.00 H new ATOM 1047 N SER A 70 5.157 4.143 -8.817 1.00 0.00 N ATOM 1048 CA SER A 70 3.962 4.721 -9.408 1.00 0.00 C ATOM 1049 C SER A 70 3.251 3.681 -10.275 1.00 0.00 C ATOM 1050 O SER A 70 2.030 3.719 -10.420 1.00 0.00 O ATOM 1051 CB SER A 70 4.303 5.961 -10.237 1.00 0.00 C ATOM 1052 OG SER A 70 5.298 5.689 -11.220 1.00 0.00 O ATOM 0 H SER A 70 5.961 4.769 -8.782 1.00 0.00 H new ATOM 0 HA SER A 70 3.296 5.028 -8.602 1.00 0.00 H new ATOM 0 HB2 SER A 70 3.401 6.329 -10.726 1.00 0.00 H new ATOM 0 HB3 SER A 70 4.653 6.754 -9.576 1.00 0.00 H new ATOM 0 HG SER A 70 5.487 6.505 -11.729 1.00 0.00 H new ATOM 1058 N SER A 71 4.045 2.776 -10.829 1.00 0.00 N ATOM 1059 CA SER A 71 3.506 1.728 -11.678 1.00 0.00 C ATOM 1060 C SER A 71 2.391 0.981 -10.944 1.00 0.00 C ATOM 1061 O SER A 71 1.286 0.840 -11.465 1.00 0.00 O ATOM 1062 CB SER A 71 4.603 0.752 -12.111 1.00 0.00 C ATOM 1063 OG SER A 71 5.233 1.160 -13.321 1.00 0.00 O ATOM 0 H SER A 71 5.057 2.747 -10.706 1.00 0.00 H new ATOM 0 HA SER A 71 3.094 2.192 -12.574 1.00 0.00 H new ATOM 0 HB2 SER A 71 5.351 0.674 -11.322 1.00 0.00 H new ATOM 0 HB3 SER A 71 4.173 -0.241 -12.243 1.00 0.00 H new ATOM 0 HG SER A 71 5.928 0.512 -13.563 1.00 0.00 H new ATOM 1069 N PHE A 72 2.719 0.523 -9.745 1.00 0.00 N ATOM 1070 CA PHE A 72 1.758 -0.206 -8.934 1.00 0.00 C ATOM 1071 C PHE A 72 0.602 0.700 -8.507 1.00 0.00 C ATOM 1072 O PHE A 72 -0.392 0.228 -7.957 1.00 0.00 O ATOM 1073 CB PHE A 72 2.500 -0.687 -7.686 1.00 0.00 C ATOM 1074 CG PHE A 72 3.278 -1.990 -7.888 1.00 0.00 C ATOM 1075 CD1 PHE A 72 2.609 -3.163 -8.048 1.00 0.00 C ATOM 1076 CD2 PHE A 72 4.638 -1.974 -7.907 1.00 0.00 C ATOM 1077 CE1 PHE A 72 3.331 -4.372 -8.235 1.00 0.00 C ATOM 1078 CE2 PHE A 72 5.359 -3.182 -8.094 1.00 0.00 C ATOM 1079 CZ PHE A 72 4.690 -4.356 -8.254 1.00 0.00 C ATOM 0 H PHE A 72 3.636 0.642 -9.315 1.00 0.00 H new ATOM 0 HA PHE A 72 1.342 -1.036 -9.506 1.00 0.00 H new ATOM 0 HB2 PHE A 72 3.192 0.091 -7.365 1.00 0.00 H new ATOM 0 HB3 PHE A 72 1.781 -0.827 -6.879 1.00 0.00 H new ATOM 0 HD1 PHE A 72 1.529 -3.175 -8.033 1.00 0.00 H new ATOM 0 HD2 PHE A 72 5.169 -1.042 -7.780 1.00 0.00 H new ATOM 0 HE1 PHE A 72 2.800 -5.304 -8.362 1.00 0.00 H new ATOM 0 HE2 PHE A 72 6.439 -3.169 -8.109 1.00 0.00 H new ATOM 0 HZ PHE A 72 5.239 -5.275 -8.396 1.00 0.00 H new ATOM 1089 N LEU A 73 0.769 1.987 -8.777 1.00 0.00 N ATOM 1090 CA LEU A 73 -0.248 2.963 -8.428 1.00 0.00 C ATOM 1091 C LEU A 73 -0.843 3.554 -9.708 1.00 0.00 C ATOM 1092 O LEU A 73 -0.300 3.361 -10.795 1.00 0.00 O ATOM 1093 CB LEU A 73 0.323 4.014 -7.474 1.00 0.00 C ATOM 1094 CG LEU A 73 0.747 3.507 -6.094 1.00 0.00 C ATOM 1095 CD1 LEU A 73 1.612 4.542 -5.371 1.00 0.00 C ATOM 1096 CD2 LEU A 73 -0.470 3.096 -5.263 1.00 0.00 C ATOM 0 H LEU A 73 1.594 2.376 -9.234 1.00 0.00 H new ATOM 0 HA LEU A 73 -1.065 2.485 -7.887 1.00 0.00 H new ATOM 0 HB2 LEU A 73 1.187 4.477 -7.950 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -0.424 4.797 -7.338 1.00 0.00 H new ATOM 0 HG LEU A 73 1.359 2.616 -6.231 1.00 0.00 H new ATOM 0 HD11 LEU A 73 1.900 4.156 -4.393 1.00 0.00 H new ATOM 0 HD12 LEU A 73 2.507 4.743 -5.959 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.046 5.465 -5.245 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -0.141 2.740 -4.287 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -1.128 3.955 -5.132 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -1.009 2.300 -5.777 1.00 0.00 H new ATOM 1108 N LYS A 74 -1.950 4.261 -9.537 1.00 0.00 N ATOM 1109 CA LYS A 74 -2.624 4.881 -10.665 1.00 0.00 C ATOM 1110 C LYS A 74 -3.255 6.200 -10.215 1.00 0.00 C ATOM 1111 O LYS A 74 -3.713 6.318 -9.079 1.00 0.00 O ATOM 1112 CB LYS A 74 -3.621 3.906 -11.295 1.00 0.00 C ATOM 1113 CG LYS A 74 -4.767 3.595 -10.331 1.00 0.00 C ATOM 1114 CD LYS A 74 -6.053 4.305 -10.760 1.00 0.00 C ATOM 1115 CE LYS A 74 -6.966 3.360 -11.543 1.00 0.00 C ATOM 1116 NZ LYS A 74 -8.268 4.007 -11.819 1.00 0.00 N ATOM 0 H LYS A 74 -2.397 4.418 -8.634 1.00 0.00 H new ATOM 0 HA LYS A 74 -1.908 5.122 -11.451 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -4.021 4.333 -12.215 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -3.110 2.983 -11.568 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -4.936 2.519 -10.296 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -4.494 3.907 -9.323 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -6.578 4.677 -9.880 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -5.807 5.171 -11.375 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -6.488 3.077 -12.481 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -7.122 2.443 -10.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -8.875 3.352 -12.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -8.730 4.255 -10.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -8.115 4.870 -12.379 1.00 0.00 H new ATOM 1130 N PRO A 75 -3.258 7.185 -11.152 1.00 0.00 N ATOM 1131 CA PRO A 75 -3.825 8.492 -10.864 1.00 0.00 C ATOM 1132 C PRO A 75 -5.354 8.438 -10.864 1.00 0.00 C ATOM 1133 O PRO A 75 -5.973 8.290 -11.917 1.00 0.00 O ATOM 1134 CB PRO A 75 -3.263 9.410 -11.936 1.00 0.00 C ATOM 1135 CG PRO A 75 -2.777 8.500 -13.052 1.00 0.00 C ATOM 1136 CD PRO A 75 -2.725 7.082 -12.507 1.00 0.00 C ATOM 0 HA PRO A 75 -3.562 8.855 -9.870 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -4.025 10.099 -12.299 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -2.447 10.016 -11.543 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -3.448 8.555 -13.909 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -1.792 8.813 -13.398 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -3.321 6.402 -13.116 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -1.705 6.697 -12.503 1.00 0.00 H new ATOM 1144 N TYR A 76 -5.919 8.561 -9.672 1.00 0.00 N ATOM 1145 CA TYR A 76 -7.364 8.528 -9.522 1.00 0.00 C ATOM 1146 C TYR A 76 -8.014 9.732 -10.207 1.00 0.00 C ATOM 1147 O TYR A 76 -7.322 10.579 -10.770 1.00 0.00 O ATOM 1148 CB TYR A 76 -7.633 8.606 -8.018 1.00 0.00 C ATOM 1149 CG TYR A 76 -9.076 8.281 -7.626 1.00 0.00 C ATOM 1150 CD1 TYR A 76 -9.551 6.991 -7.751 1.00 0.00 C ATOM 1151 CD2 TYR A 76 -9.903 9.278 -7.149 1.00 0.00 C ATOM 1152 CE1 TYR A 76 -10.909 6.685 -7.383 1.00 0.00 C ATOM 1153 CE2 TYR A 76 -11.261 8.972 -6.781 1.00 0.00 C ATOM 1154 CZ TYR A 76 -11.697 7.691 -6.916 1.00 0.00 C ATOM 1155 OH TYR A 76 -12.980 7.402 -6.568 1.00 0.00 O ATOM 0 H TYR A 76 -5.402 8.684 -8.801 1.00 0.00 H new ATOM 0 HA TYR A 76 -7.777 7.626 -9.975 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -6.964 7.917 -7.503 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -7.389 9.609 -7.667 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -8.904 6.211 -8.125 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -9.531 10.287 -7.052 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -11.293 5.680 -7.476 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -11.919 9.742 -6.406 1.00 0.00 H new ATOM 0 HH TYR A 76 -13.424 8.216 -6.251 1.00 0.00 H new ATOM 1165 N ASN A 77 -9.336 9.770 -10.137 1.00 0.00 N ATOM 1166 CA ASN A 77 -10.087 10.856 -10.743 1.00 0.00 C ATOM 1167 C ASN A 77 -11.552 10.762 -10.310 1.00 0.00 C ATOM 1168 O ASN A 77 -12.338 10.040 -10.922 1.00 0.00 O ATOM 1169 CB ASN A 77 -10.039 10.774 -12.270 1.00 0.00 C ATOM 1170 CG ASN A 77 -9.338 11.997 -12.864 1.00 0.00 C ATOM 1171 OD1 ASN A 77 -8.266 11.911 -13.440 1.00 0.00 O ATOM 1172 ND2 ASN A 77 -10.000 13.137 -12.691 1.00 0.00 N ATOM 0 H ASN A 77 -9.907 9.066 -9.670 1.00 0.00 H new ATOM 0 HA ASN A 77 -9.641 11.796 -10.418 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -9.515 9.868 -12.573 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -11.052 10.703 -12.666 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -9.614 14.010 -13.050 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -10.894 13.138 -12.199 1.00 0.00 H new