USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 610 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 58 ASN : amide:sc= 0.579 K(o=1.1,f=-4!) USER MOD Set 1.2: A 81 THR OG1 : rot 45:sc= 0.542 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 135:sc= 0.18 (180deg=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 TYR OH : rot 34:sc= 0.0333 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= -0.219 K(o=-0.22,f=-3.3!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN : amide:sc= -0.32 K(o=-0.32,f=-0.87) USER MOD Single : A 35 LYS NZ :NH3+ -144:sc= -0.116 (180deg=-1.41!) USER MOD Single : A 41 SER OG : rot -96:sc= 0.516 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= -0.327 X(o=-0.33,f=-0.52) USER MOD Single : A 51 ASN : amide:sc= -0.684 X(o=-0.68,f=-1.1) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0.0233 USER MOD Single : A 67 HIS : no HD1:sc= -2.69! K(o=-2.7!,f=-1.1) USER MOD Single : A 73 MET CE :methyl 153:sc= -0.0747 (180deg=-0.751) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -7.413 -5.409 -8.929 1.00 0.00 N ATOM 60 CA GLY A 7 -6.315 -4.744 -8.253 1.00 0.00 C ATOM 61 C GLY A 7 -6.013 -3.380 -8.841 1.00 0.00 C ATOM 62 O GLY A 7 -5.599 -3.271 -9.995 1.00 0.00 O ATOM 0 HA2 GLY A 7 -6.556 -4.635 -7.196 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -5.423 -5.368 -8.314 1.00 0.00 H new ATOM 66 N ARG A 8 -6.224 -2.335 -8.046 1.00 0.00 N ATOM 67 CA ARG A 8 -5.974 -0.971 -8.496 1.00 0.00 C ATOM 68 C ARG A 8 -4.529 -0.565 -8.224 1.00 0.00 C ATOM 69 O ARG A 8 -3.866 -1.131 -7.354 1.00 0.00 O ATOM 70 CB ARG A 8 -6.928 0.001 -7.798 1.00 0.00 C ATOM 71 CG ARG A 8 -6.771 0.029 -6.286 1.00 0.00 C ATOM 72 CD ARG A 8 -7.907 0.790 -5.622 1.00 0.00 C ATOM 73 NE ARG A 8 -7.958 2.184 -6.054 1.00 0.00 N ATOM 74 CZ ARG A 8 -8.968 3.003 -5.779 1.00 0.00 C ATOM 75 NH1 ARG A 8 -10.004 2.569 -5.075 1.00 0.00 N ATOM 76 NH2 ARG A 8 -8.941 4.258 -6.207 1.00 0.00 N ATOM 0 H ARG A 8 -6.567 -2.407 -7.088 1.00 0.00 H new ATOM 0 HA ARG A 8 -6.148 -0.932 -9.571 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -6.762 1.004 -8.191 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -7.954 -0.272 -8.043 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -6.742 -0.991 -5.903 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -5.820 0.494 -6.026 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -8.854 0.303 -5.855 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -7.786 0.750 -4.539 1.00 0.00 H new ATOM 0 HE ARG A 8 -7.175 2.549 -6.597 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -10.027 1.605 -4.743 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -10.778 3.199 -4.865 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -8.145 4.595 -6.748 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -9.717 4.886 -5.995 1.00 0.00 H new ATOM 90 N VAL A 9 -4.045 0.420 -8.975 1.00 0.00 N ATOM 91 CA VAL A 9 -2.679 0.902 -8.816 1.00 0.00 C ATOM 92 C VAL A 9 -2.645 2.206 -8.026 1.00 0.00 C ATOM 93 O VAL A 9 -3.358 3.157 -8.346 1.00 0.00 O ATOM 94 CB VAL A 9 -1.999 1.124 -10.180 1.00 0.00 C ATOM 95 CG1 VAL A 9 -0.611 1.719 -9.995 1.00 0.00 C ATOM 96 CG2 VAL A 9 -1.929 -0.182 -10.958 1.00 0.00 C ATOM 0 H VAL A 9 -4.580 0.899 -9.700 1.00 0.00 H new ATOM 0 HA VAL A 9 -2.134 0.133 -8.268 1.00 0.00 H new ATOM 0 HB VAL A 9 -2.597 1.832 -10.754 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -0.146 1.869 -10.970 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -0.691 2.677 -9.480 1.00 0.00 H new ATOM 0 HG13 VAL A 9 0.000 1.039 -9.402 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -1.446 -0.007 -11.919 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -1.354 -0.913 -10.390 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -2.937 -0.562 -11.123 1.00 0.00 H new ATOM 106 N VAL A 10 -1.810 2.244 -6.992 1.00 0.00 N ATOM 107 CA VAL A 10 -1.682 3.432 -6.157 1.00 0.00 C ATOM 108 C VAL A 10 -0.271 4.006 -6.231 1.00 0.00 C ATOM 109 O VAL A 10 0.705 3.269 -6.370 1.00 0.00 O ATOM 110 CB VAL A 10 -2.021 3.123 -4.686 1.00 0.00 C ATOM 111 CG1 VAL A 10 -2.278 4.409 -3.916 1.00 0.00 C ATOM 112 CG2 VAL A 10 -3.221 2.192 -4.601 1.00 0.00 C ATOM 0 H VAL A 10 -1.213 1.466 -6.713 1.00 0.00 H new ATOM 0 HA VAL A 10 -2.391 4.166 -6.540 1.00 0.00 H new ATOM 0 HB VAL A 10 -1.167 2.621 -4.232 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -2.516 4.171 -2.879 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.388 5.037 -3.949 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -3.115 4.942 -4.367 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -3.447 1.984 -3.555 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -4.083 2.666 -5.071 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -2.994 1.258 -5.116 1.00 0.00 H new ATOM 122 N VAL A 11 -0.171 5.328 -6.138 1.00 0.00 N ATOM 123 CA VAL A 11 1.120 6.003 -6.194 1.00 0.00 C ATOM 124 C VAL A 11 1.218 7.091 -5.130 1.00 0.00 C ATOM 125 O VAL A 11 0.313 7.912 -4.983 1.00 0.00 O ATOM 126 CB VAL A 11 1.367 6.631 -7.578 1.00 0.00 C ATOM 127 CG1 VAL A 11 2.712 7.339 -7.612 1.00 0.00 C ATOM 128 CG2 VAL A 11 1.286 5.570 -8.666 1.00 0.00 C ATOM 0 H VAL A 11 -0.969 5.953 -6.023 1.00 0.00 H new ATOM 0 HA VAL A 11 1.881 5.245 -6.007 1.00 0.00 H new ATOM 0 HB VAL A 11 0.590 7.372 -7.765 1.00 0.00 H new ATOM 0 HG11 VAL A 11 2.868 7.776 -8.598 1.00 0.00 H new ATOM 0 HG12 VAL A 11 2.727 8.127 -6.859 1.00 0.00 H new ATOM 0 HG13 VAL A 11 3.506 6.622 -7.403 1.00 0.00 H new ATOM 0 HG21 VAL A 11 1.463 6.031 -9.638 1.00 0.00 H new ATOM 0 HG22 VAL A 11 2.041 4.805 -8.485 1.00 0.00 H new ATOM 0 HG23 VAL A 11 0.296 5.113 -8.656 1.00 0.00 H new ATOM 138 N ILE A 12 2.322 7.090 -4.391 1.00 0.00 N ATOM 139 CA ILE A 12 2.539 8.078 -3.342 1.00 0.00 C ATOM 140 C ILE A 12 3.920 8.714 -3.462 1.00 0.00 C ATOM 141 O ILE A 12 4.818 8.160 -4.097 1.00 0.00 O ATOM 142 CB ILE A 12 2.394 7.454 -1.941 1.00 0.00 C ATOM 143 CG1 ILE A 12 1.150 6.564 -1.883 1.00 0.00 C ATOM 144 CG2 ILE A 12 2.324 8.542 -0.881 1.00 0.00 C ATOM 145 CD1 ILE A 12 1.134 5.627 -0.695 1.00 0.00 C ATOM 0 H ILE A 12 3.080 6.416 -4.499 1.00 0.00 H new ATOM 0 HA ILE A 12 1.776 8.845 -3.470 1.00 0.00 H new ATOM 0 HB ILE A 12 3.270 6.837 -1.741 1.00 0.00 H new ATOM 0 HG12 ILE A 12 0.262 7.196 -1.850 1.00 0.00 H new ATOM 0 HG13 ILE A 12 1.090 5.977 -2.800 1.00 0.00 H new ATOM 0 HG21 ILE A 12 2.222 8.085 0.103 1.00 0.00 H new ATOM 0 HG22 ILE A 12 3.236 9.138 -0.911 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.464 9.184 -1.074 1.00 0.00 H new ATOM 0 HD11 ILE A 12 0.224 5.027 -0.717 1.00 0.00 H new ATOM 0 HD12 ILE A 12 2.003 4.971 -0.738 1.00 0.00 H new ATOM 0 HD13 ILE A 12 1.163 6.208 0.227 1.00 0.00 H new ATOM 157 N LYS A 13 4.085 9.879 -2.845 1.00 0.00 N ATOM 158 CA LYS A 13 5.357 10.591 -2.879 1.00 0.00 C ATOM 159 C LYS A 13 5.720 11.122 -1.497 1.00 0.00 C ATOM 160 O LYS A 13 4.948 11.858 -0.880 1.00 0.00 O ATOM 161 CB LYS A 13 5.293 11.746 -3.881 1.00 0.00 C ATOM 162 CG LYS A 13 4.398 11.465 -5.076 1.00 0.00 C ATOM 163 CD LYS A 13 4.241 12.694 -5.955 1.00 0.00 C ATOM 164 CE LYS A 13 3.166 13.628 -5.420 1.00 0.00 C ATOM 165 NZ LYS A 13 2.768 14.651 -6.427 1.00 0.00 N ATOM 0 H LYS A 13 3.353 10.351 -2.315 1.00 0.00 H new ATOM 0 HA LYS A 13 6.129 9.889 -3.193 1.00 0.00 H new ATOM 0 HB2 LYS A 13 4.934 12.639 -3.370 1.00 0.00 H new ATOM 0 HB3 LYS A 13 6.300 11.965 -4.235 1.00 0.00 H new ATOM 0 HG2 LYS A 13 4.818 10.648 -5.663 1.00 0.00 H new ATOM 0 HG3 LYS A 13 3.418 11.137 -4.729 1.00 0.00 H new ATOM 0 HD2 LYS A 13 5.191 13.226 -6.012 1.00 0.00 H new ATOM 0 HD3 LYS A 13 3.986 12.387 -6.969 1.00 0.00 H new ATOM 0 HE2 LYS A 13 2.292 13.046 -5.129 1.00 0.00 H new ATOM 0 HE3 LYS A 13 3.532 14.126 -4.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 2.034 15.268 -6.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 3.597 15.223 -6.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 2.395 14.177 -7.274 1.00 0.00 H new ATOM 179 N LYS A 14 6.900 10.748 -1.015 1.00 0.00 N ATOM 180 CA LYS A 14 7.368 11.189 0.294 1.00 0.00 C ATOM 181 C LYS A 14 7.227 12.700 0.441 1.00 0.00 C ATOM 182 O LYS A 14 7.613 13.459 -0.447 1.00 0.00 O ATOM 183 CB LYS A 14 8.828 10.780 0.501 1.00 0.00 C ATOM 184 CG LYS A 14 9.200 10.570 1.959 1.00 0.00 C ATOM 185 CD LYS A 14 10.504 9.802 2.096 1.00 0.00 C ATOM 186 CE LYS A 14 10.283 8.302 1.975 1.00 0.00 C ATOM 187 NZ LYS A 14 11.559 7.542 2.091 1.00 0.00 N ATOM 0 H LYS A 14 7.551 10.140 -1.512 1.00 0.00 H new ATOM 0 HA LYS A 14 6.751 10.708 1.053 1.00 0.00 H new ATOM 0 HB2 LYS A 14 9.020 9.860 -0.051 1.00 0.00 H new ATOM 0 HB3 LYS A 14 9.475 11.547 0.076 1.00 0.00 H new ATOM 0 HG2 LYS A 14 9.292 11.536 2.455 1.00 0.00 H new ATOM 0 HG3 LYS A 14 8.402 10.027 2.465 1.00 0.00 H new ATOM 0 HD2 LYS A 14 11.204 10.131 1.328 1.00 0.00 H new ATOM 0 HD3 LYS A 14 10.960 10.027 3.060 1.00 0.00 H new ATOM 0 HE2 LYS A 14 9.592 7.973 2.751 1.00 0.00 H new ATOM 0 HE3 LYS A 14 9.814 8.080 1.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 11.422 6.728 2.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 11.849 7.205 1.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 12.298 8.162 2.480 1.00 0.00 H new ATOM 201 N GLY A 15 6.671 13.131 1.570 1.00 0.00 N ATOM 202 CA GLY A 15 6.490 14.551 1.813 1.00 0.00 C ATOM 203 C GLY A 15 7.378 15.066 2.928 1.00 0.00 C ATOM 204 O GLY A 15 8.602 15.080 2.800 1.00 0.00 O ATOM 0 H GLY A 15 6.343 12.523 2.320 1.00 0.00 H new ATOM 0 HA2 GLY A 15 6.704 15.103 0.898 1.00 0.00 H new ATOM 0 HA3 GLY A 15 5.447 14.743 2.065 1.00 0.00 H new ATOM 208 N SER A 16 6.760 15.491 4.026 1.00 0.00 N ATOM 209 CA SER A 16 7.502 16.014 5.166 1.00 0.00 C ATOM 210 C SER A 16 7.351 15.101 6.379 1.00 0.00 C ATOM 211 O SER A 16 8.239 15.023 7.226 1.00 0.00 O ATOM 212 CB SER A 16 7.020 17.424 5.512 1.00 0.00 C ATOM 213 OG SER A 16 5.609 17.519 5.414 1.00 0.00 O ATOM 0 H SER A 16 5.748 15.483 4.149 1.00 0.00 H new ATOM 0 HA SER A 16 8.556 16.055 4.893 1.00 0.00 H new ATOM 0 HB2 SER A 16 7.336 17.682 6.523 1.00 0.00 H new ATOM 0 HB3 SER A 16 7.484 18.146 4.839 1.00 0.00 H new ATOM 0 HG SER A 16 5.326 18.429 5.642 1.00 0.00 H new ATOM 219 N ASN A 17 6.216 14.412 6.454 1.00 0.00 N ATOM 220 CA ASN A 17 5.946 13.504 7.563 1.00 0.00 C ATOM 221 C ASN A 17 5.895 12.057 7.081 1.00 0.00 C ATOM 222 O ASN A 17 5.212 11.220 7.670 1.00 0.00 O ATOM 223 CB ASN A 17 4.626 13.874 8.243 1.00 0.00 C ATOM 224 CG ASN A 17 4.773 15.052 9.187 1.00 0.00 C ATOM 225 OD1 ASN A 17 5.440 14.956 10.217 1.00 0.00 O ATOM 226 ND2 ASN A 17 4.148 16.170 8.839 1.00 0.00 N ATOM 0 H ASN A 17 5.470 14.465 5.761 1.00 0.00 H new ATOM 0 HA ASN A 17 6.758 13.600 8.284 1.00 0.00 H new ATOM 0 HB2 ASN A 17 3.883 14.112 7.482 1.00 0.00 H new ATOM 0 HB3 ASN A 17 4.251 13.013 8.796 1.00 0.00 H new ATOM 0 HD21 ASN A 17 4.210 16.995 9.435 1.00 0.00 H new ATOM 0 HD22 ASN A 17 3.606 16.204 7.976 1.00 0.00 H new ATOM 233 N GLY A 18 6.622 11.771 6.006 1.00 0.00 N ATOM 234 CA GLY A 18 6.646 10.425 5.463 1.00 0.00 C ATOM 235 C GLY A 18 5.677 10.247 4.311 1.00 0.00 C ATOM 236 O GLY A 18 5.630 11.071 3.397 1.00 0.00 O ATOM 0 H GLY A 18 7.195 12.447 5.501 1.00 0.00 H new ATOM 0 HA2 GLY A 18 7.655 10.191 5.124 1.00 0.00 H new ATOM 0 HA3 GLY A 18 6.402 9.714 6.252 1.00 0.00 H new ATOM 240 N TYR A 19 4.902 9.169 4.353 1.00 0.00 N ATOM 241 CA TYR A 19 3.932 8.883 3.303 1.00 0.00 C ATOM 242 C TYR A 19 2.518 9.232 3.758 1.00 0.00 C ATOM 243 O TYR A 19 1.846 10.064 3.150 1.00 0.00 O ATOM 244 CB TYR A 19 4.002 7.409 2.902 1.00 0.00 C ATOM 245 CG TYR A 19 5.226 7.060 2.086 1.00 0.00 C ATOM 246 CD1 TYR A 19 5.291 7.360 0.732 1.00 0.00 C ATOM 247 CD2 TYR A 19 6.319 6.431 2.671 1.00 0.00 C ATOM 248 CE1 TYR A 19 6.407 7.043 -0.018 1.00 0.00 C ATOM 249 CE2 TYR A 19 7.440 6.111 1.930 1.00 0.00 C ATOM 250 CZ TYR A 19 7.479 6.419 0.586 1.00 0.00 C ATOM 251 OH TYR A 19 8.593 6.102 -0.157 1.00 0.00 O ATOM 0 H TYR A 19 4.927 8.479 5.103 1.00 0.00 H new ATOM 0 HA TYR A 19 4.178 9.499 2.438 1.00 0.00 H new ATOM 0 HB2 TYR A 19 3.989 6.795 3.803 1.00 0.00 H new ATOM 0 HB3 TYR A 19 3.110 7.154 2.330 1.00 0.00 H new ATOM 0 HD1 TYR A 19 4.454 7.850 0.257 1.00 0.00 H new ATOM 0 HD2 TYR A 19 6.291 6.188 3.723 1.00 0.00 H new ATOM 0 HE1 TYR A 19 6.440 7.282 -1.071 1.00 0.00 H new ATOM 0 HE2 TYR A 19 8.281 5.623 2.400 1.00 0.00 H new ATOM 0 HH TYR A 19 8.736 6.789 -0.842 1.00 0.00 H new ATOM 261 N GLY A 20 2.074 8.589 4.833 1.00 0.00 N ATOM 262 CA GLY A 20 0.743 8.844 5.353 1.00 0.00 C ATOM 263 C GLY A 20 -0.039 7.568 5.595 1.00 0.00 C ATOM 264 O GLY A 20 -1.030 7.568 6.326 1.00 0.00 O ATOM 0 H GLY A 20 2.612 7.896 5.353 1.00 0.00 H new ATOM 0 HA2 GLY A 20 0.822 9.401 6.287 1.00 0.00 H new ATOM 0 HA3 GLY A 20 0.197 9.474 4.651 1.00 0.00 H new ATOM 268 N PHE A 21 0.405 6.477 4.979 1.00 0.00 N ATOM 269 CA PHE A 21 -0.261 5.189 5.130 1.00 0.00 C ATOM 270 C PHE A 21 0.601 4.221 5.934 1.00 0.00 C ATOM 271 O PHE A 21 1.818 4.386 6.026 1.00 0.00 O ATOM 272 CB PHE A 21 -0.576 4.590 3.757 1.00 0.00 C ATOM 273 CG PHE A 21 0.643 4.126 3.012 1.00 0.00 C ATOM 274 CD1 PHE A 21 1.470 5.037 2.375 1.00 0.00 C ATOM 275 CD2 PHE A 21 0.960 2.779 2.948 1.00 0.00 C ATOM 276 CE1 PHE A 21 2.593 4.613 1.689 1.00 0.00 C ATOM 277 CE2 PHE A 21 2.081 2.350 2.263 1.00 0.00 C ATOM 278 CZ PHE A 21 2.898 3.268 1.632 1.00 0.00 C ATOM 0 H PHE A 21 1.223 6.460 4.370 1.00 0.00 H new ATOM 0 HA PHE A 21 -1.193 5.352 5.671 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -1.257 3.748 3.884 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -1.098 5.334 3.156 1.00 0.00 H new ATOM 0 HD1 PHE A 21 1.235 6.090 2.415 1.00 0.00 H new ATOM 0 HD2 PHE A 21 0.324 2.057 3.439 1.00 0.00 H new ATOM 0 HE1 PHE A 21 3.231 5.333 1.198 1.00 0.00 H new ATOM 0 HE2 PHE A 21 2.318 1.297 2.221 1.00 0.00 H new ATOM 0 HZ PHE A 21 3.774 2.934 1.095 1.00 0.00 H new ATOM 288 N TYR A 22 -0.038 3.211 6.514 1.00 0.00 N ATOM 289 CA TYR A 22 0.670 2.217 7.313 1.00 0.00 C ATOM 290 C TYR A 22 0.304 0.803 6.872 1.00 0.00 C ATOM 291 O TYR A 22 -0.585 0.609 6.042 1.00 0.00 O ATOM 292 CB TYR A 22 0.345 2.400 8.796 1.00 0.00 C ATOM 293 CG TYR A 22 0.870 3.694 9.376 1.00 0.00 C ATOM 294 CD1 TYR A 22 0.123 4.864 9.304 1.00 0.00 C ATOM 295 CD2 TYR A 22 2.113 3.748 9.994 1.00 0.00 C ATOM 296 CE1 TYR A 22 0.599 6.049 9.832 1.00 0.00 C ATOM 297 CE2 TYR A 22 2.596 4.928 10.526 1.00 0.00 C ATOM 298 CZ TYR A 22 1.836 6.076 10.442 1.00 0.00 C ATOM 299 OH TYR A 22 2.314 7.253 10.969 1.00 0.00 O ATOM 0 H TYR A 22 -1.044 3.059 6.446 1.00 0.00 H new ATOM 0 HA TYR A 22 1.740 2.360 7.161 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -0.736 2.364 8.929 1.00 0.00 H new ATOM 0 HB3 TYR A 22 0.763 1.564 9.357 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -0.846 4.847 8.827 1.00 0.00 H new ATOM 0 HD2 TYR A 22 2.712 2.852 10.060 1.00 0.00 H new ATOM 0 HE1 TYR A 22 0.006 6.949 9.767 1.00 0.00 H new ATOM 0 HE2 TYR A 22 3.564 4.951 11.005 1.00 0.00 H new ATOM 0 HH TYR A 22 3.198 7.100 11.363 1.00 0.00 H new ATOM 309 N LEU A 23 0.997 -0.182 7.433 1.00 0.00 N ATOM 310 CA LEU A 23 0.747 -1.580 7.099 1.00 0.00 C ATOM 311 C LEU A 23 0.745 -2.447 8.354 1.00 0.00 C ATOM 312 O LEU A 23 1.594 -2.288 9.232 1.00 0.00 O ATOM 313 CB LEU A 23 1.803 -2.087 6.116 1.00 0.00 C ATOM 314 CG LEU A 23 1.896 -1.339 4.786 1.00 0.00 C ATOM 315 CD1 LEU A 23 3.099 -1.817 3.988 1.00 0.00 C ATOM 316 CD2 LEU A 23 0.616 -1.516 3.983 1.00 0.00 C ATOM 0 H LEU A 23 1.736 -0.039 8.121 1.00 0.00 H new ATOM 0 HA LEU A 23 -0.236 -1.647 6.632 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.776 -2.042 6.604 1.00 0.00 H new ATOM 0 HB3 LEU A 23 1.600 -3.137 5.906 1.00 0.00 H new ATOM 0 HG LEU A 23 2.024 -0.277 4.997 1.00 0.00 H new ATOM 0 HD11 LEU A 23 3.149 -1.274 3.044 1.00 0.00 H new ATOM 0 HD12 LEU A 23 4.010 -1.637 4.559 1.00 0.00 H new ATOM 0 HD13 LEU A 23 3.002 -2.884 3.787 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.701 -0.977 3.040 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.456 -2.575 3.782 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -0.227 -1.123 4.551 1.00 0.00 H new ATOM 328 N ARG A 24 -0.212 -3.366 8.431 1.00 0.00 N ATOM 329 CA ARG A 24 -0.324 -4.259 9.578 1.00 0.00 C ATOM 330 C ARG A 24 -0.523 -5.702 9.125 1.00 0.00 C ATOM 331 O ARG A 24 -0.822 -5.962 7.960 1.00 0.00 O ATOM 332 CB ARG A 24 -1.486 -3.830 10.475 1.00 0.00 C ATOM 333 CG ARG A 24 -1.519 -4.547 11.814 1.00 0.00 C ATOM 334 CD ARG A 24 -2.580 -3.963 12.734 1.00 0.00 C ATOM 335 NE ARG A 24 -2.357 -4.330 14.130 1.00 0.00 N ATOM 336 CZ ARG A 24 -2.831 -3.635 15.157 1.00 0.00 C ATOM 337 NH1 ARG A 24 -3.551 -2.541 14.946 1.00 0.00 N ATOM 338 NH2 ARG A 24 -2.586 -4.032 16.399 1.00 0.00 N ATOM 0 H ARG A 24 -0.921 -3.512 7.712 1.00 0.00 H new ATOM 0 HA ARG A 24 0.605 -4.199 10.146 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -1.422 -2.756 10.649 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -2.424 -4.013 9.952 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -1.717 -5.607 11.655 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -0.542 -4.473 12.291 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -2.583 -2.877 12.641 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -3.564 -4.312 12.420 1.00 0.00 H new ATOM 0 HE ARG A 24 -1.807 -5.166 14.327 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -3.742 -2.232 13.993 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -3.914 -2.009 15.737 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -2.033 -4.872 16.566 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -2.951 -3.497 17.187 1.00 0.00 H new ATOM 352 N ALA A 25 -0.355 -6.637 10.055 1.00 0.00 N ATOM 353 CA ALA A 25 -0.519 -8.054 9.752 1.00 0.00 C ATOM 354 C ALA A 25 -1.984 -8.468 9.835 1.00 0.00 C ATOM 355 O ALA A 25 -2.530 -8.639 10.924 1.00 0.00 O ATOM 356 CB ALA A 25 0.324 -8.896 10.698 1.00 0.00 C ATOM 0 H ALA A 25 -0.106 -6.439 11.024 1.00 0.00 H new ATOM 0 HA ALA A 25 -0.179 -8.224 8.730 1.00 0.00 H new ATOM 0 HB1 ALA A 25 0.192 -9.952 10.461 1.00 0.00 H new ATOM 0 HB2 ALA A 25 1.374 -8.627 10.586 1.00 0.00 H new ATOM 0 HB3 ALA A 25 0.010 -8.713 11.726 1.00 0.00 H new ATOM 362 N GLY A 26 -2.616 -8.627 8.676 1.00 0.00 N ATOM 363 CA GLY A 26 -4.013 -9.019 8.640 1.00 0.00 C ATOM 364 C GLY A 26 -4.202 -10.509 8.840 1.00 0.00 C ATOM 365 O GLY A 26 -3.267 -11.235 9.177 1.00 0.00 O ATOM 0 H GLY A 26 -2.185 -8.491 7.761 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -4.559 -8.480 9.414 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -4.445 -8.726 7.683 1.00 0.00 H new ATOM 369 N PRO A 27 -5.438 -10.986 8.632 1.00 0.00 N ATOM 370 CA PRO A 27 -5.776 -12.404 8.787 1.00 0.00 C ATOM 371 C PRO A 27 -5.153 -13.271 7.699 1.00 0.00 C ATOM 372 O PRO A 27 -4.251 -12.833 6.985 1.00 0.00 O ATOM 373 CB PRO A 27 -7.303 -12.419 8.674 1.00 0.00 C ATOM 374 CG PRO A 27 -7.635 -11.209 7.871 1.00 0.00 C ATOM 375 CD PRO A 27 -6.601 -10.177 8.229 1.00 0.00 C ATOM 0 HA PRO A 27 -5.400 -12.812 9.725 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -7.655 -13.327 8.185 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -7.773 -12.383 9.657 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -7.612 -11.431 6.804 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -8.639 -10.852 8.101 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -6.368 -9.531 7.382 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -6.941 -9.531 9.038 1.00 0.00 H new ATOM 383 N GLU A 28 -5.640 -14.502 7.578 1.00 0.00 N ATOM 384 CA GLU A 28 -5.129 -15.430 6.576 1.00 0.00 C ATOM 385 C GLU A 28 -4.995 -14.745 5.218 1.00 0.00 C ATOM 386 O GLU A 28 -4.135 -15.103 4.414 1.00 0.00 O ATOM 387 CB GLU A 28 -6.051 -16.645 6.457 1.00 0.00 C ATOM 388 CG GLU A 28 -6.221 -17.409 7.759 1.00 0.00 C ATOM 389 CD GLU A 28 -7.542 -18.151 7.832 1.00 0.00 C ATOM 390 OE1 GLU A 28 -7.742 -19.084 7.026 1.00 0.00 O ATOM 391 OE2 GLU A 28 -8.374 -17.799 8.693 1.00 0.00 O ATOM 0 H GLU A 28 -6.387 -14.879 8.161 1.00 0.00 H new ATOM 0 HA GLU A 28 -4.141 -15.762 6.896 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -7.030 -16.315 6.108 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.653 -17.320 5.699 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -5.402 -18.120 7.868 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -6.152 -16.714 8.596 1.00 0.00 H new ATOM 398 N GLN A 29 -5.851 -13.759 4.972 1.00 0.00 N ATOM 399 CA GLN A 29 -5.830 -13.025 3.713 1.00 0.00 C ATOM 400 C GLN A 29 -4.397 -12.774 3.254 1.00 0.00 C ATOM 401 O GLN A 29 -3.494 -12.594 4.071 1.00 0.00 O ATOM 402 CB GLN A 29 -6.571 -11.695 3.860 1.00 0.00 C ATOM 403 CG GLN A 29 -7.034 -11.108 2.536 1.00 0.00 C ATOM 404 CD GLN A 29 -8.273 -10.246 2.682 1.00 0.00 C ATOM 405 OE1 GLN A 29 -8.262 -9.061 2.349 1.00 0.00 O ATOM 406 NE2 GLN A 29 -9.351 -10.839 3.183 1.00 0.00 N ATOM 0 H GLN A 29 -6.568 -13.450 5.628 1.00 0.00 H new ATOM 0 HA GLN A 29 -6.333 -13.631 2.960 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -7.437 -11.840 4.506 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -5.918 -10.978 4.358 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -6.229 -10.511 2.106 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -7.240 -11.918 1.836 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -9.316 -11.824 3.446 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -10.214 -10.309 3.305 1.00 0.00 H new ATOM 415 N LYS A 30 -4.195 -12.764 1.941 1.00 0.00 N ATOM 416 CA LYS A 30 -2.872 -12.534 1.371 1.00 0.00 C ATOM 417 C LYS A 30 -2.649 -11.051 1.094 1.00 0.00 C ATOM 418 O LYS A 30 -3.286 -10.472 0.214 1.00 0.00 O ATOM 419 CB LYS A 30 -2.704 -13.337 0.079 1.00 0.00 C ATOM 420 CG LYS A 30 -2.404 -14.808 0.311 1.00 0.00 C ATOM 421 CD LYS A 30 -3.679 -15.629 0.404 1.00 0.00 C ATOM 422 CE LYS A 30 -3.498 -16.840 1.306 1.00 0.00 C ATOM 423 NZ LYS A 30 -4.370 -17.974 0.894 1.00 0.00 N ATOM 0 H LYS A 30 -4.931 -12.913 1.251 1.00 0.00 H new ATOM 0 HA LYS A 30 -2.129 -12.865 2.096 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -3.614 -13.250 -0.514 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -1.897 -12.899 -0.509 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -1.785 -15.187 -0.502 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -1.829 -14.922 1.230 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -4.487 -15.006 0.788 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -3.975 -15.957 -0.592 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -2.455 -17.157 1.283 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -3.725 -16.563 2.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -4.217 -18.780 1.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -5.367 -17.680 0.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -4.137 -18.256 -0.080 1.00 0.00 H new ATOM 437 N GLY A 31 -1.740 -10.442 1.849 1.00 0.00 N ATOM 438 CA GLY A 31 -1.449 -9.032 1.667 1.00 0.00 C ATOM 439 C GLY A 31 -1.441 -8.268 2.977 1.00 0.00 C ATOM 440 O GLY A 31 -1.726 -8.832 4.033 1.00 0.00 O ATOM 0 H GLY A 31 -1.200 -10.900 2.583 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -0.479 -8.924 1.181 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -2.191 -8.594 0.999 1.00 0.00 H new ATOM 444 N GLN A 32 -1.113 -6.982 2.908 1.00 0.00 N ATOM 445 CA GLN A 32 -1.067 -6.141 4.098 1.00 0.00 C ATOM 446 C GLN A 32 -2.237 -5.164 4.120 1.00 0.00 C ATOM 447 O GLN A 32 -2.659 -4.662 3.078 1.00 0.00 O ATOM 448 CB GLN A 32 0.255 -5.373 4.155 1.00 0.00 C ATOM 449 CG GLN A 32 1.466 -6.262 4.389 1.00 0.00 C ATOM 450 CD GLN A 32 1.453 -6.917 5.756 1.00 0.00 C ATOM 451 OE1 GLN A 32 1.880 -6.323 6.746 1.00 0.00 O ATOM 452 NE2 GLN A 32 0.962 -8.150 5.818 1.00 0.00 N ATOM 0 H GLN A 32 -0.875 -6.500 2.041 1.00 0.00 H new ATOM 0 HA GLN A 32 -1.141 -6.788 4.972 1.00 0.00 H new ATOM 0 HB2 GLN A 32 0.390 -4.828 3.220 1.00 0.00 H new ATOM 0 HB3 GLN A 32 0.200 -4.631 4.951 1.00 0.00 H new ATOM 0 HG2 GLN A 32 1.499 -7.034 3.620 1.00 0.00 H new ATOM 0 HG3 GLN A 32 2.374 -5.668 4.283 1.00 0.00 H new ATOM 0 HE21 GLN A 32 0.618 -8.605 4.972 1.00 0.00 H new ATOM 0 HE22 GLN A 32 0.929 -8.641 6.711 1.00 0.00 H new ATOM 461 N ILE A 33 -2.758 -4.898 5.313 1.00 0.00 N ATOM 462 CA ILE A 33 -3.879 -3.981 5.470 1.00 0.00 C ATOM 463 C ILE A 33 -3.396 -2.574 5.807 1.00 0.00 C ATOM 464 O ILE A 33 -2.463 -2.399 6.592 1.00 0.00 O ATOM 465 CB ILE A 33 -4.846 -4.456 6.571 1.00 0.00 C ATOM 466 CG1 ILE A 33 -5.097 -5.960 6.445 1.00 0.00 C ATOM 467 CG2 ILE A 33 -6.156 -3.687 6.493 1.00 0.00 C ATOM 468 CD1 ILE A 33 -5.727 -6.573 7.676 1.00 0.00 C ATOM 0 H ILE A 33 -2.421 -5.305 6.185 1.00 0.00 H new ATOM 0 HA ILE A 33 -4.407 -3.963 4.517 1.00 0.00 H new ATOM 0 HB ILE A 33 -4.391 -4.262 7.542 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -5.744 -6.141 5.587 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -4.151 -6.462 6.243 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -6.829 -4.034 7.277 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -5.962 -2.623 6.626 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -6.618 -3.852 5.520 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -5.876 -7.641 7.515 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -5.071 -6.423 8.533 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -6.689 -6.097 7.868 1.00 0.00 H new ATOM 480 N ILE A 34 -4.037 -1.575 5.209 1.00 0.00 N ATOM 481 CA ILE A 34 -3.674 -0.184 5.448 1.00 0.00 C ATOM 482 C ILE A 34 -4.568 0.442 6.513 1.00 0.00 C ATOM 483 O ILE A 34 -5.755 0.131 6.605 1.00 0.00 O ATOM 484 CB ILE A 34 -3.769 0.652 4.158 1.00 0.00 C ATOM 485 CG1 ILE A 34 -2.783 0.128 3.111 1.00 0.00 C ATOM 486 CG2 ILE A 34 -3.501 2.120 4.457 1.00 0.00 C ATOM 487 CD1 ILE A 34 -2.893 0.827 1.774 1.00 0.00 C ATOM 0 H ILE A 34 -4.810 -1.703 4.556 1.00 0.00 H new ATOM 0 HA ILE A 34 -2.641 -0.183 5.797 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.779 0.561 3.757 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.768 0.244 3.490 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.950 -0.940 2.969 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -3.572 2.698 3.535 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -4.238 2.486 5.172 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.501 2.229 4.878 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -2.165 0.405 1.082 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -3.897 0.690 1.373 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -2.696 1.891 1.903 1.00 0.00 H new ATOM 499 N LYS A 35 -3.990 1.329 7.316 1.00 0.00 N ATOM 500 CA LYS A 35 -4.733 2.003 8.374 1.00 0.00 C ATOM 501 C LYS A 35 -3.967 3.217 8.889 1.00 0.00 C ATOM 502 O LYS A 35 -2.796 3.409 8.560 1.00 0.00 O ATOM 503 CB LYS A 35 -5.012 1.036 9.526 1.00 0.00 C ATOM 504 CG LYS A 35 -3.813 0.185 9.910 1.00 0.00 C ATOM 505 CD LYS A 35 -4.142 -0.758 11.055 1.00 0.00 C ATOM 506 CE LYS A 35 -4.787 -2.041 10.552 1.00 0.00 C ATOM 507 NZ LYS A 35 -6.265 -1.906 10.427 1.00 0.00 N ATOM 0 H LYS A 35 -3.008 1.598 7.254 1.00 0.00 H new ATOM 0 HA LYS A 35 -5.681 2.344 7.957 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -5.337 1.606 10.397 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -5.838 0.381 9.248 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -3.483 -0.392 9.046 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -2.984 0.832 10.197 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -3.231 -0.998 11.603 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -4.814 -0.262 11.755 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -4.363 -2.305 9.583 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -4.553 -2.857 11.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -6.719 -2.805 10.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -6.600 -1.154 11.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -6.510 -1.664 9.446 1.00 0.00 H new ATOM 521 N ASP A 36 -4.633 4.031 9.700 1.00 0.00 N ATOM 522 CA ASP A 36 -4.013 5.225 10.263 1.00 0.00 C ATOM 523 C ASP A 36 -3.579 6.184 9.160 1.00 0.00 C ATOM 524 O ASP A 36 -2.481 6.740 9.203 1.00 0.00 O ATOM 525 CB ASP A 36 -2.809 4.842 11.126 1.00 0.00 C ATOM 526 CG ASP A 36 -3.218 4.295 12.479 1.00 0.00 C ATOM 527 OD1 ASP A 36 -4.198 4.809 13.057 1.00 0.00 O ATOM 528 OD2 ASP A 36 -2.557 3.351 12.961 1.00 0.00 O ATOM 0 H ASP A 36 -5.602 3.886 9.982 1.00 0.00 H new ATOM 0 HA ASP A 36 -4.752 5.728 10.887 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -2.212 4.096 10.601 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -2.174 5.717 11.268 1.00 0.00 H new ATOM 533 N ILE A 37 -4.448 6.373 8.172 1.00 0.00 N ATOM 534 CA ILE A 37 -4.154 7.265 7.057 1.00 0.00 C ATOM 535 C ILE A 37 -4.137 8.722 7.508 1.00 0.00 C ATOM 536 O ILE A 37 -5.071 9.191 8.157 1.00 0.00 O ATOM 537 CB ILE A 37 -5.181 7.104 5.921 1.00 0.00 C ATOM 538 CG1 ILE A 37 -4.995 5.754 5.224 1.00 0.00 C ATOM 539 CG2 ILE A 37 -5.049 8.244 4.922 1.00 0.00 C ATOM 540 CD1 ILE A 37 -5.841 5.594 3.980 1.00 0.00 C ATOM 0 H ILE A 37 -5.361 5.921 8.121 1.00 0.00 H new ATOM 0 HA ILE A 37 -3.167 6.990 6.685 1.00 0.00 H new ATOM 0 HB ILE A 37 -6.183 7.136 6.349 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -3.945 5.634 4.957 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -5.239 4.956 5.925 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -5.782 8.116 4.125 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -5.225 9.193 5.428 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -4.046 8.240 4.496 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -5.658 4.614 3.539 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -6.895 5.682 4.243 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -5.581 6.370 3.261 1.00 0.00 H new ATOM 552 N GLU A 38 -3.068 9.431 7.159 1.00 0.00 N ATOM 553 CA GLU A 38 -2.930 10.835 7.527 1.00 0.00 C ATOM 554 C GLU A 38 -3.702 11.730 6.561 1.00 0.00 C ATOM 555 O GLU A 38 -3.776 11.470 5.360 1.00 0.00 O ATOM 556 CB GLU A 38 -1.455 11.239 7.545 1.00 0.00 C ATOM 557 CG GLU A 38 -0.669 10.622 8.690 1.00 0.00 C ATOM 558 CD GLU A 38 0.708 11.237 8.851 1.00 0.00 C ATOM 559 OE1 GLU A 38 0.898 12.390 8.410 1.00 0.00 O ATOM 560 OE2 GLU A 38 1.594 10.566 9.419 1.00 0.00 O ATOM 0 H GLU A 38 -2.286 9.056 6.622 1.00 0.00 H new ATOM 0 HA GLU A 38 -3.346 10.964 8.526 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -0.995 10.947 6.601 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.385 12.325 7.611 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -1.228 10.745 9.617 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -0.566 9.550 8.519 1.00 0.00 H new ATOM 567 N PRO A 39 -4.291 12.809 7.097 1.00 0.00 N ATOM 568 CA PRO A 39 -5.067 13.765 6.301 1.00 0.00 C ATOM 569 C PRO A 39 -4.189 14.587 5.364 1.00 0.00 C ATOM 570 O PRO A 39 -3.033 14.875 5.673 1.00 0.00 O ATOM 571 CB PRO A 39 -5.712 14.665 7.357 1.00 0.00 C ATOM 572 CG PRO A 39 -4.806 14.576 8.536 1.00 0.00 C ATOM 573 CD PRO A 39 -4.243 13.181 8.521 1.00 0.00 C ATOM 0 HA PRO A 39 -5.785 13.265 5.651 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -5.800 15.692 7.002 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -6.718 14.326 7.605 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -4.011 15.319 8.474 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -5.349 14.768 9.461 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -3.225 13.154 8.909 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -4.836 12.502 9.134 1.00 0.00 H new ATOM 581 N GLY A 40 -4.746 14.963 4.216 1.00 0.00 N ATOM 582 CA GLY A 40 -3.999 15.750 3.252 1.00 0.00 C ATOM 583 C GLY A 40 -2.604 15.204 3.015 1.00 0.00 C ATOM 584 O GLY A 40 -1.724 15.918 2.534 1.00 0.00 O ATOM 0 H GLY A 40 -5.701 14.737 3.937 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -4.542 15.773 2.307 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -3.928 16.779 3.604 1.00 0.00 H new ATOM 588 N SER A 41 -2.402 13.935 3.354 1.00 0.00 N ATOM 589 CA SER A 41 -1.103 13.296 3.180 1.00 0.00 C ATOM 590 C SER A 41 -0.999 12.641 1.806 1.00 0.00 C ATOM 591 O SER A 41 -1.998 12.272 1.188 1.00 0.00 O ATOM 592 CB SER A 41 -0.875 12.250 4.274 1.00 0.00 C ATOM 593 OG SER A 41 -1.441 11.002 3.912 1.00 0.00 O ATOM 0 H SER A 41 -3.121 13.329 3.750 1.00 0.00 H new ATOM 0 HA SER A 41 -0.334 14.065 3.256 1.00 0.00 H new ATOM 0 HB2 SER A 41 0.194 12.131 4.450 1.00 0.00 H new ATOM 0 HB3 SER A 41 -1.316 12.595 5.209 1.00 0.00 H new ATOM 0 HG SER A 41 -2.333 10.919 4.310 1.00 0.00 H new ATOM 599 N PRO A 42 0.240 12.493 1.314 1.00 0.00 N ATOM 600 CA PRO A 42 0.506 11.883 0.008 1.00 0.00 C ATOM 601 C PRO A 42 -0.248 10.571 -0.183 1.00 0.00 C ATOM 602 O PRO A 42 -0.542 10.172 -1.309 1.00 0.00 O ATOM 603 CB PRO A 42 2.016 11.633 0.033 1.00 0.00 C ATOM 604 CG PRO A 42 2.551 12.647 0.985 1.00 0.00 C ATOM 605 CD PRO A 42 1.477 12.910 1.995 1.00 0.00 C ATOM 0 HA PRO A 42 0.180 12.521 -0.813 1.00 0.00 H new ATOM 0 HB2 PRO A 42 2.244 10.620 0.364 1.00 0.00 H new ATOM 0 HB3 PRO A 42 2.453 11.751 -0.958 1.00 0.00 H new ATOM 0 HG2 PRO A 42 3.455 12.280 1.471 1.00 0.00 H new ATOM 0 HG3 PRO A 42 2.820 13.564 0.461 1.00 0.00 H new ATOM 0 HD2 PRO A 42 1.641 12.340 2.910 1.00 0.00 H new ATOM 0 HD3 PRO A 42 1.443 13.962 2.277 1.00 0.00 H new ATOM 613 N ALA A 43 -0.557 9.905 0.925 1.00 0.00 N ATOM 614 CA ALA A 43 -1.279 8.639 0.879 1.00 0.00 C ATOM 615 C ALA A 43 -2.758 8.861 0.584 1.00 0.00 C ATOM 616 O ALA A 43 -3.352 8.150 -0.226 1.00 0.00 O ATOM 617 CB ALA A 43 -1.107 7.887 2.190 1.00 0.00 C ATOM 0 H ALA A 43 -0.319 10.221 1.865 1.00 0.00 H new ATOM 0 HA ALA A 43 -0.861 8.039 0.071 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -1.651 6.944 2.142 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -0.049 7.688 2.359 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -1.498 8.490 3.009 1.00 0.00 H new ATOM 623 N GLU A 44 -3.347 9.852 1.246 1.00 0.00 N ATOM 624 CA GLU A 44 -4.758 10.166 1.054 1.00 0.00 C ATOM 625 C GLU A 44 -5.010 10.704 -0.352 1.00 0.00 C ATOM 626 O GLU A 44 -5.958 10.298 -1.023 1.00 0.00 O ATOM 627 CB GLU A 44 -5.222 11.188 2.094 1.00 0.00 C ATOM 628 CG GLU A 44 -6.637 11.692 1.862 1.00 0.00 C ATOM 629 CD GLU A 44 -6.743 12.591 0.645 1.00 0.00 C ATOM 630 OE1 GLU A 44 -6.164 13.698 0.673 1.00 0.00 O ATOM 631 OE2 GLU A 44 -7.405 12.190 -0.334 1.00 0.00 O ATOM 0 H GLU A 44 -2.869 10.451 1.920 1.00 0.00 H new ATOM 0 HA GLU A 44 -5.329 9.246 1.180 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -5.163 10.738 3.085 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -4.538 12.036 2.088 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -7.307 10.841 1.740 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -6.973 12.238 2.743 1.00 0.00 H new ATOM 638 N ALA A 45 -4.153 11.621 -0.790 1.00 0.00 N ATOM 639 CA ALA A 45 -4.281 12.214 -2.115 1.00 0.00 C ATOM 640 C ALA A 45 -4.015 11.182 -3.207 1.00 0.00 C ATOM 641 O ALA A 45 -4.564 11.270 -4.304 1.00 0.00 O ATOM 642 CB ALA A 45 -3.331 13.394 -2.259 1.00 0.00 C ATOM 0 H ALA A 45 -3.363 11.969 -0.246 1.00 0.00 H new ATOM 0 HA ALA A 45 -5.305 12.570 -2.229 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -3.437 13.827 -3.254 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -3.569 14.147 -1.508 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -2.305 13.054 -2.119 1.00 0.00 H new ATOM 648 N ALA A 46 -3.168 10.206 -2.897 1.00 0.00 N ATOM 649 CA ALA A 46 -2.830 9.157 -3.851 1.00 0.00 C ATOM 650 C ALA A 46 -4.072 8.382 -4.278 1.00 0.00 C ATOM 651 O ALA A 46 -4.110 7.796 -5.359 1.00 0.00 O ATOM 652 CB ALA A 46 -1.796 8.214 -3.255 1.00 0.00 C ATOM 0 H ALA A 46 -2.704 10.120 -1.993 1.00 0.00 H new ATOM 0 HA ALA A 46 -2.406 9.629 -4.737 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.553 7.436 -3.979 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -0.894 8.773 -3.007 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -2.199 7.756 -2.352 1.00 0.00 H new ATOM 658 N GLY A 47 -5.088 8.382 -3.419 1.00 0.00 N ATOM 659 CA GLY A 47 -6.318 7.674 -3.725 1.00 0.00 C ATOM 660 C GLY A 47 -6.478 6.409 -2.905 1.00 0.00 C ATOM 661 O GLY A 47 -7.350 5.585 -3.185 1.00 0.00 O ATOM 0 H GLY A 47 -5.081 8.859 -2.518 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -7.168 8.332 -3.542 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -6.334 7.421 -4.785 1.00 0.00 H new ATOM 665 N LEU A 48 -5.634 6.253 -1.891 1.00 0.00 N ATOM 666 CA LEU A 48 -5.685 5.078 -1.028 1.00 0.00 C ATOM 667 C LEU A 48 -7.013 5.007 -0.282 1.00 0.00 C ATOM 668 O LEU A 48 -7.907 5.825 -0.502 1.00 0.00 O ATOM 669 CB LEU A 48 -4.527 5.103 -0.030 1.00 0.00 C ATOM 670 CG LEU A 48 -3.231 4.434 -0.488 1.00 0.00 C ATOM 671 CD1 LEU A 48 -2.191 4.467 0.622 1.00 0.00 C ATOM 672 CD2 LEU A 48 -3.497 3.001 -0.928 1.00 0.00 C ATOM 0 H LEU A 48 -4.907 6.925 -1.646 1.00 0.00 H new ATOM 0 HA LEU A 48 -5.595 4.192 -1.657 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -4.308 6.142 0.216 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -4.856 4.620 0.890 1.00 0.00 H new ATOM 0 HG LEU A 48 -2.840 4.989 -1.341 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -1.276 3.986 0.277 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -1.978 5.502 0.891 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -2.573 3.937 1.494 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.563 2.540 -1.251 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.911 2.435 -0.094 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -4.207 3.000 -1.755 1.00 0.00 H new ATOM 684 N LYS A 49 -7.137 4.025 0.604 1.00 0.00 N ATOM 685 CA LYS A 49 -8.354 3.848 1.387 1.00 0.00 C ATOM 686 C LYS A 49 -8.099 2.953 2.596 1.00 0.00 C ATOM 687 O LYS A 49 -7.447 1.916 2.485 1.00 0.00 O ATOM 688 CB LYS A 49 -9.461 3.246 0.518 1.00 0.00 C ATOM 689 CG LYS A 49 -10.207 4.274 -0.315 1.00 0.00 C ATOM 690 CD LYS A 49 -11.646 3.853 -0.562 1.00 0.00 C ATOM 691 CE LYS A 49 -12.534 4.176 0.629 1.00 0.00 C ATOM 692 NZ LYS A 49 -13.871 3.531 0.516 1.00 0.00 N ATOM 0 H LYS A 49 -6.408 3.338 0.798 1.00 0.00 H new ATOM 0 HA LYS A 49 -8.672 4.828 1.743 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -9.025 2.500 -0.146 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -10.172 2.725 1.159 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -10.191 5.237 0.195 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -9.698 4.410 -1.269 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -12.027 4.359 -1.449 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -11.683 2.783 -0.765 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -12.047 3.844 1.546 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -12.658 5.256 0.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -14.446 3.776 1.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -14.347 3.867 -0.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -13.755 2.499 0.467 1.00 0.00 H new ATOM 706 N ASN A 50 -8.617 3.362 3.749 1.00 0.00 N ATOM 707 CA ASN A 50 -8.446 2.596 4.979 1.00 0.00 C ATOM 708 C ASN A 50 -8.906 1.154 4.790 1.00 0.00 C ATOM 709 O ASN A 50 -9.903 0.893 4.118 1.00 0.00 O ATOM 710 CB ASN A 50 -9.226 3.247 6.122 1.00 0.00 C ATOM 711 CG ASN A 50 -8.989 4.742 6.207 1.00 0.00 C ATOM 712 OD1 ASN A 50 -9.718 5.533 5.609 1.00 0.00 O ATOM 713 ND2 ASN A 50 -7.963 5.137 6.953 1.00 0.00 N ATOM 0 H ASN A 50 -9.159 4.219 3.858 1.00 0.00 H new ATOM 0 HA ASN A 50 -7.385 2.590 5.230 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -10.291 3.058 5.985 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -8.938 2.782 7.065 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -7.754 6.131 7.047 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -7.385 4.446 7.431 1.00 0.00 H new ATOM 720 N ASN A 51 -8.172 0.221 5.388 1.00 0.00 N ATOM 721 CA ASN A 51 -8.505 -1.195 5.285 1.00 0.00 C ATOM 722 C ASN A 51 -8.175 -1.733 3.896 1.00 0.00 C ATOM 723 O ASN A 51 -8.798 -2.683 3.423 1.00 0.00 O ATOM 724 CB ASN A 51 -9.988 -1.415 5.590 1.00 0.00 C ATOM 725 CG ASN A 51 -10.479 -0.546 6.732 1.00 0.00 C ATOM 726 OD1 ASN A 51 -9.753 -0.299 7.695 1.00 0.00 O ATOM 727 ND2 ASN A 51 -11.718 -0.079 6.630 1.00 0.00 N ATOM 0 H ASN A 51 -7.343 0.420 5.949 1.00 0.00 H new ATOM 0 HA ASN A 51 -7.906 -1.737 6.017 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -10.575 -1.202 4.697 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -10.153 -2.463 5.838 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -12.103 0.510 7.368 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -12.284 -0.309 5.813 1.00 0.00 H new ATOM 734 N ASP A 52 -7.190 -1.119 3.250 1.00 0.00 N ATOM 735 CA ASP A 52 -6.775 -1.537 1.916 1.00 0.00 C ATOM 736 C ASP A 52 -5.793 -2.702 1.992 1.00 0.00 C ATOM 737 O ASP A 52 -4.784 -2.633 2.696 1.00 0.00 O ATOM 738 CB ASP A 52 -6.138 -0.365 1.166 1.00 0.00 C ATOM 739 CG ASP A 52 -7.157 0.455 0.400 1.00 0.00 C ATOM 740 OD1 ASP A 52 -8.359 0.366 0.729 1.00 0.00 O ATOM 741 OD2 ASP A 52 -6.753 1.186 -0.527 1.00 0.00 O ATOM 0 H ASP A 52 -6.664 -0.331 3.628 1.00 0.00 H new ATOM 0 HA ASP A 52 -7.661 -1.867 1.374 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -5.619 0.278 1.877 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -5.388 -0.746 0.473 1.00 0.00 H new ATOM 746 N LEU A 53 -6.094 -3.771 1.264 1.00 0.00 N ATOM 747 CA LEU A 53 -5.239 -4.953 1.249 1.00 0.00 C ATOM 748 C LEU A 53 -4.282 -4.918 0.062 1.00 0.00 C ATOM 749 O LEU A 53 -4.709 -4.864 -1.091 1.00 0.00 O ATOM 750 CB LEU A 53 -6.090 -6.223 1.196 1.00 0.00 C ATOM 751 CG LEU A 53 -5.327 -7.546 1.264 1.00 0.00 C ATOM 752 CD1 LEU A 53 -4.865 -7.968 -0.122 1.00 0.00 C ATOM 753 CD2 LEU A 53 -4.142 -7.429 2.211 1.00 0.00 C ATOM 0 H LEU A 53 -6.924 -3.844 0.676 1.00 0.00 H new ATOM 0 HA LEU A 53 -4.650 -4.956 2.166 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -6.801 -6.194 2.021 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -6.671 -6.209 0.274 1.00 0.00 H new ATOM 0 HG LEU A 53 -6.000 -8.313 1.648 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -4.324 -8.912 -0.053 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -5.731 -8.093 -0.772 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -4.208 -7.202 -0.535 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -3.610 -8.380 2.247 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -3.468 -6.649 1.856 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -4.498 -7.174 3.209 1.00 0.00 H new ATOM 765 N VAL A 54 -2.985 -4.951 0.352 1.00 0.00 N ATOM 766 CA VAL A 54 -1.967 -4.927 -0.691 1.00 0.00 C ATOM 767 C VAL A 54 -1.441 -6.328 -0.979 1.00 0.00 C ATOM 768 O VAL A 54 -1.058 -7.059 -0.065 1.00 0.00 O ATOM 769 CB VAL A 54 -0.787 -4.017 -0.302 1.00 0.00 C ATOM 770 CG1 VAL A 54 0.258 -3.997 -1.407 1.00 0.00 C ATOM 771 CG2 VAL A 54 -1.277 -2.610 0.005 1.00 0.00 C ATOM 0 H VAL A 54 -2.615 -4.994 1.301 1.00 0.00 H new ATOM 0 HA VAL A 54 -2.442 -4.530 -1.588 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.322 -4.419 0.598 1.00 0.00 H new ATOM 0 HG11 VAL A 54 1.084 -3.349 -1.115 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.631 -5.008 -1.574 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -0.191 -3.620 -2.326 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -0.430 -1.981 0.278 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -1.768 -2.195 -0.876 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -1.985 -2.644 0.833 1.00 0.00 H new ATOM 781 N VAL A 55 -1.425 -6.698 -2.255 1.00 0.00 N ATOM 782 CA VAL A 55 -0.945 -8.013 -2.665 1.00 0.00 C ATOM 783 C VAL A 55 0.404 -7.910 -3.368 1.00 0.00 C ATOM 784 O VAL A 55 1.157 -8.881 -3.433 1.00 0.00 O ATOM 785 CB VAL A 55 -1.948 -8.710 -3.602 1.00 0.00 C ATOM 786 CG1 VAL A 55 -3.172 -9.173 -2.826 1.00 0.00 C ATOM 787 CG2 VAL A 55 -2.347 -7.782 -4.740 1.00 0.00 C ATOM 0 H VAL A 55 -1.739 -6.106 -3.024 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.835 -8.607 -1.758 1.00 0.00 H new ATOM 0 HB VAL A 55 -1.467 -9.589 -4.032 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -3.869 -9.663 -3.505 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -2.867 -9.875 -2.050 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -3.658 -8.313 -2.366 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -3.056 -8.291 -5.393 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -2.810 -6.883 -4.332 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.461 -7.506 -5.312 1.00 0.00 H new ATOM 797 N ALA A 56 0.704 -6.726 -3.891 1.00 0.00 N ATOM 798 CA ALA A 56 1.964 -6.495 -4.587 1.00 0.00 C ATOM 799 C ALA A 56 2.458 -5.069 -4.369 1.00 0.00 C ATOM 800 O ALA A 56 1.663 -4.143 -4.212 1.00 0.00 O ATOM 801 CB ALA A 56 1.805 -6.779 -6.074 1.00 0.00 C ATOM 0 H ALA A 56 0.092 -5.912 -3.846 1.00 0.00 H new ATOM 0 HA ALA A 56 2.708 -7.176 -4.175 1.00 0.00 H new ATOM 0 HB1 ALA A 56 2.753 -6.602 -6.582 1.00 0.00 H new ATOM 0 HB2 ALA A 56 1.505 -7.817 -6.216 1.00 0.00 H new ATOM 0 HB3 ALA A 56 1.043 -6.121 -6.491 1.00 0.00 H new ATOM 807 N VAL A 57 3.776 -4.900 -4.360 1.00 0.00 N ATOM 808 CA VAL A 57 4.377 -3.586 -4.161 1.00 0.00 C ATOM 809 C VAL A 57 5.520 -3.351 -5.141 1.00 0.00 C ATOM 810 O VAL A 57 6.409 -4.189 -5.287 1.00 0.00 O ATOM 811 CB VAL A 57 4.906 -3.423 -2.724 1.00 0.00 C ATOM 812 CG1 VAL A 57 5.538 -2.051 -2.540 1.00 0.00 C ATOM 813 CG2 VAL A 57 3.788 -3.643 -1.716 1.00 0.00 C ATOM 0 H VAL A 57 4.448 -5.656 -4.488 1.00 0.00 H new ATOM 0 HA VAL A 57 3.593 -2.849 -4.338 1.00 0.00 H new ATOM 0 HB VAL A 57 5.674 -4.177 -2.551 1.00 0.00 H new ATOM 0 HG11 VAL A 57 5.906 -1.954 -1.519 1.00 0.00 H new ATOM 0 HG12 VAL A 57 6.368 -1.936 -3.237 1.00 0.00 H new ATOM 0 HG13 VAL A 57 4.793 -1.279 -2.732 1.00 0.00 H new ATOM 0 HG21 VAL A 57 4.180 -3.524 -0.706 1.00 0.00 H new ATOM 0 HG22 VAL A 57 2.996 -2.914 -1.886 1.00 0.00 H new ATOM 0 HG23 VAL A 57 3.386 -4.649 -1.833 1.00 0.00 H new ATOM 823 N ASN A 58 5.491 -2.204 -5.812 1.00 0.00 N ATOM 824 CA ASN A 58 6.525 -1.857 -6.780 1.00 0.00 C ATOM 825 C ASN A 58 6.636 -2.926 -7.863 1.00 0.00 C ATOM 826 O ASN A 58 7.692 -3.102 -8.470 1.00 0.00 O ATOM 827 CB ASN A 58 7.873 -1.685 -6.077 1.00 0.00 C ATOM 828 CG ASN A 58 8.103 -0.261 -5.608 1.00 0.00 C ATOM 829 OD1 ASN A 58 7.358 0.651 -5.968 1.00 0.00 O ATOM 830 ND2 ASN A 58 9.139 -0.065 -4.801 1.00 0.00 N ATOM 0 H ASN A 58 4.762 -1.499 -5.703 1.00 0.00 H new ATOM 0 HA ASN A 58 6.246 -0.915 -7.252 1.00 0.00 H new ATOM 0 HB2 ASN A 58 7.922 -2.359 -5.222 1.00 0.00 H new ATOM 0 HB3 ASN A 58 8.674 -1.974 -6.757 1.00 0.00 H new ATOM 0 HD21 ASN A 58 9.344 0.872 -4.453 1.00 0.00 H new ATOM 0 HD22 ASN A 58 9.729 -0.851 -4.529 1.00 0.00 H new ATOM 837 N GLY A 59 5.538 -3.636 -8.101 1.00 0.00 N ATOM 838 CA GLY A 59 5.533 -4.678 -9.112 1.00 0.00 C ATOM 839 C GLY A 59 6.208 -5.950 -8.637 1.00 0.00 C ATOM 840 O GLY A 59 6.901 -6.617 -9.404 1.00 0.00 O ATOM 0 H GLY A 59 4.652 -3.509 -7.612 1.00 0.00 H new ATOM 0 HA2 GLY A 59 4.504 -4.900 -9.395 1.00 0.00 H new ATOM 0 HA3 GLY A 59 6.038 -4.314 -10.007 1.00 0.00 H new ATOM 844 N LYS A 60 6.006 -6.285 -7.367 1.00 0.00 N ATOM 845 CA LYS A 60 6.600 -7.485 -6.789 1.00 0.00 C ATOM 846 C LYS A 60 5.683 -8.092 -5.732 1.00 0.00 C ATOM 847 O LYS A 60 5.194 -7.392 -4.846 1.00 0.00 O ATOM 848 CB LYS A 60 7.962 -7.158 -6.171 1.00 0.00 C ATOM 849 CG LYS A 60 8.944 -6.544 -7.153 1.00 0.00 C ATOM 850 CD LYS A 60 9.644 -7.609 -7.980 1.00 0.00 C ATOM 851 CE LYS A 60 10.601 -6.991 -8.989 1.00 0.00 C ATOM 852 NZ LYS A 60 11.649 -7.956 -9.422 1.00 0.00 N ATOM 0 H LYS A 60 5.436 -5.742 -6.718 1.00 0.00 H new ATOM 0 HA LYS A 60 6.736 -8.214 -7.588 1.00 0.00 H new ATOM 0 HB2 LYS A 60 7.818 -6.471 -5.337 1.00 0.00 H new ATOM 0 HB3 LYS A 60 8.394 -8.071 -5.761 1.00 0.00 H new ATOM 0 HG2 LYS A 60 8.417 -5.856 -7.814 1.00 0.00 H new ATOM 0 HG3 LYS A 60 9.685 -5.958 -6.610 1.00 0.00 H new ATOM 0 HD2 LYS A 60 10.193 -8.281 -7.320 1.00 0.00 H new ATOM 0 HD3 LYS A 60 8.901 -8.212 -8.503 1.00 0.00 H new ATOM 0 HE2 LYS A 60 10.040 -6.649 -9.859 1.00 0.00 H new ATOM 0 HE3 LYS A 60 11.075 -6.113 -8.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 12.281 -7.497 -10.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 12.201 -8.263 -8.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 11.198 -8.782 -9.864 1.00 0.00 H new ATOM 866 N SER A 61 5.455 -9.397 -5.832 1.00 0.00 N ATOM 867 CA SER A 61 4.594 -10.098 -4.886 1.00 0.00 C ATOM 868 C SER A 61 5.104 -9.927 -3.458 1.00 0.00 C ATOM 869 O SER A 61 6.232 -10.305 -3.140 1.00 0.00 O ATOM 870 CB SER A 61 4.517 -11.585 -5.238 1.00 0.00 C ATOM 871 OG SER A 61 4.496 -11.776 -6.642 1.00 0.00 O ATOM 0 H SER A 61 5.854 -9.991 -6.559 1.00 0.00 H new ATOM 0 HA SER A 61 3.596 -9.665 -4.951 1.00 0.00 H new ATOM 0 HB2 SER A 61 5.372 -12.108 -4.809 1.00 0.00 H new ATOM 0 HB3 SER A 61 3.622 -12.021 -4.795 1.00 0.00 H new ATOM 0 HG SER A 61 4.448 -12.734 -6.841 1.00 0.00 H new ATOM 877 N VAL A 62 4.265 -9.354 -2.601 1.00 0.00 N ATOM 878 CA VAL A 62 4.629 -9.133 -1.207 1.00 0.00 C ATOM 879 C VAL A 62 3.709 -9.907 -0.270 1.00 0.00 C ATOM 880 O VAL A 62 4.119 -10.327 0.811 1.00 0.00 O ATOM 881 CB VAL A 62 4.575 -7.637 -0.843 1.00 0.00 C ATOM 882 CG1 VAL A 62 5.274 -6.803 -1.905 1.00 0.00 C ATOM 883 CG2 VAL A 62 3.134 -7.186 -0.661 1.00 0.00 C ATOM 0 H VAL A 62 3.328 -9.034 -2.848 1.00 0.00 H new ATOM 0 HA VAL A 62 5.651 -9.492 -1.086 1.00 0.00 H new ATOM 0 HB VAL A 62 5.100 -7.491 0.101 1.00 0.00 H new ATOM 0 HG11 VAL A 62 5.225 -5.749 -1.630 1.00 0.00 H new ATOM 0 HG12 VAL A 62 6.317 -7.111 -1.981 1.00 0.00 H new ATOM 0 HG13 VAL A 62 4.781 -6.951 -2.866 1.00 0.00 H new ATOM 0 HG21 VAL A 62 3.114 -6.127 -0.404 1.00 0.00 H new ATOM 0 HG22 VAL A 62 2.583 -7.345 -1.588 1.00 0.00 H new ATOM 0 HG23 VAL A 62 2.671 -7.762 0.140 1.00 0.00 H new ATOM 893 N GLU A 63 2.462 -10.091 -0.692 1.00 0.00 N ATOM 894 CA GLU A 63 1.483 -10.815 0.110 1.00 0.00 C ATOM 895 C GLU A 63 2.127 -12.009 0.808 1.00 0.00 C ATOM 896 O GLU A 63 1.665 -12.451 1.859 1.00 0.00 O ATOM 897 CB GLU A 63 0.321 -11.287 -0.766 1.00 0.00 C ATOM 898 CG GLU A 63 0.616 -12.568 -1.529 1.00 0.00 C ATOM 899 CD GLU A 63 1.603 -12.358 -2.661 1.00 0.00 C ATOM 900 OE1 GLU A 63 2.816 -12.254 -2.380 1.00 0.00 O ATOM 901 OE2 GLU A 63 1.163 -12.298 -3.828 1.00 0.00 O ATOM 0 H GLU A 63 2.106 -9.749 -1.584 1.00 0.00 H new ATOM 0 HA GLU A 63 1.101 -10.135 0.871 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -0.557 -11.442 -0.138 1.00 0.00 H new ATOM 0 HB3 GLU A 63 0.070 -10.500 -1.477 1.00 0.00 H new ATOM 0 HG2 GLU A 63 1.012 -13.314 -0.840 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -0.314 -12.969 -1.932 1.00 0.00 H new ATOM 908 N ALA A 64 3.197 -12.527 0.213 1.00 0.00 N ATOM 909 CA ALA A 64 3.906 -13.669 0.777 1.00 0.00 C ATOM 910 C ALA A 64 4.781 -13.247 1.952 1.00 0.00 C ATOM 911 O ALA A 64 4.834 -13.928 2.977 1.00 0.00 O ATOM 912 CB ALA A 64 4.748 -14.349 -0.293 1.00 0.00 C ATOM 0 H ALA A 64 3.591 -12.174 -0.659 1.00 0.00 H new ATOM 0 HA ALA A 64 3.165 -14.378 1.146 1.00 0.00 H new ATOM 0 HB1 ALA A 64 5.272 -15.200 0.142 1.00 0.00 H new ATOM 0 HB2 ALA A 64 4.101 -14.695 -1.099 1.00 0.00 H new ATOM 0 HB3 ALA A 64 5.475 -13.640 -0.689 1.00 0.00 H new ATOM 918 N LEU A 65 5.467 -12.120 1.797 1.00 0.00 N ATOM 919 CA LEU A 65 6.342 -11.606 2.846 1.00 0.00 C ATOM 920 C LEU A 65 5.545 -11.265 4.101 1.00 0.00 C ATOM 921 O LEU A 65 4.322 -11.407 4.130 1.00 0.00 O ATOM 922 CB LEU A 65 7.091 -10.368 2.351 1.00 0.00 C ATOM 923 CG LEU A 65 8.379 -10.630 1.571 1.00 0.00 C ATOM 924 CD1 LEU A 65 8.883 -9.349 0.926 1.00 0.00 C ATOM 925 CD2 LEU A 65 9.443 -11.225 2.481 1.00 0.00 C ATOM 0 H LEU A 65 5.435 -11.545 0.955 1.00 0.00 H new ATOM 0 HA LEU A 65 7.064 -12.383 3.097 1.00 0.00 H new ATOM 0 HB2 LEU A 65 6.418 -9.790 1.718 1.00 0.00 H new ATOM 0 HB3 LEU A 65 7.332 -9.745 3.213 1.00 0.00 H new ATOM 0 HG LEU A 65 8.162 -11.349 0.781 1.00 0.00 H new ATOM 0 HD11 LEU A 65 9.801 -9.556 0.375 1.00 0.00 H new ATOM 0 HD12 LEU A 65 8.127 -8.965 0.241 1.00 0.00 H new ATOM 0 HD13 LEU A 65 9.083 -8.607 1.699 1.00 0.00 H new ATOM 0 HD21 LEU A 65 10.353 -11.405 1.908 1.00 0.00 H new ATOM 0 HD22 LEU A 65 9.657 -10.530 3.293 1.00 0.00 H new ATOM 0 HD23 LEU A 65 9.083 -12.167 2.895 1.00 0.00 H new ATOM 937 N ASP A 66 6.244 -10.812 5.135 1.00 0.00 N ATOM 938 CA ASP A 66 5.602 -10.446 6.392 1.00 0.00 C ATOM 939 C ASP A 66 5.637 -8.935 6.601 1.00 0.00 C ATOM 940 O ASP A 66 6.190 -8.198 5.785 1.00 0.00 O ATOM 941 CB ASP A 66 6.287 -11.151 7.563 1.00 0.00 C ATOM 942 CG ASP A 66 5.874 -12.605 7.685 1.00 0.00 C ATOM 943 OD1 ASP A 66 4.877 -12.883 8.385 1.00 0.00 O ATOM 944 OD2 ASP A 66 6.547 -13.465 7.080 1.00 0.00 O ATOM 0 H ASP A 66 7.257 -10.689 5.128 1.00 0.00 H new ATOM 0 HA ASP A 66 4.560 -10.764 6.345 1.00 0.00 H new ATOM 0 HB2 ASP A 66 7.368 -11.093 7.436 1.00 0.00 H new ATOM 0 HB3 ASP A 66 6.046 -10.629 8.489 1.00 0.00 H new ATOM 949 N HIS A 67 5.042 -8.481 7.699 1.00 0.00 N ATOM 950 CA HIS A 67 5.004 -7.057 8.015 1.00 0.00 C ATOM 951 C HIS A 67 6.302 -6.373 7.595 1.00 0.00 C ATOM 952 O HIS A 67 6.289 -5.428 6.807 1.00 0.00 O ATOM 953 CB HIS A 67 4.768 -6.852 9.512 1.00 0.00 C ATOM 954 CG HIS A 67 4.953 -5.434 9.959 1.00 0.00 C ATOM 955 ND1 HIS A 67 3.984 -4.727 10.639 1.00 0.00 N ATOM 956 CD2 HIS A 67 6.004 -4.593 9.820 1.00 0.00 C ATOM 957 CE1 HIS A 67 4.431 -3.511 10.898 1.00 0.00 C ATOM 958 NE2 HIS A 67 5.654 -3.404 10.412 1.00 0.00 N ATOM 0 H HIS A 67 4.580 -9.078 8.385 1.00 0.00 H new ATOM 0 HA HIS A 67 4.181 -6.608 7.460 1.00 0.00 H new ATOM 0 HB2 HIS A 67 3.756 -7.173 9.759 1.00 0.00 H new ATOM 0 HB3 HIS A 67 5.451 -7.492 10.070 1.00 0.00 H new ATOM 0 HD2 HIS A 67 6.943 -4.815 9.334 1.00 0.00 H new ATOM 0 HE1 HIS A 67 3.888 -2.736 11.419 1.00 0.00 H new ATOM 0 HE2 HIS A 67 6.243 -2.573 10.467 1.00 0.00 H new ATOM 967 N ASP A 68 7.419 -6.857 8.126 1.00 0.00 N ATOM 968 CA ASP A 68 8.725 -6.292 7.805 1.00 0.00 C ATOM 969 C ASP A 68 9.001 -6.377 6.307 1.00 0.00 C ATOM 970 O ASP A 68 9.258 -5.367 5.655 1.00 0.00 O ATOM 971 CB ASP A 68 9.823 -7.021 8.581 1.00 0.00 C ATOM 972 CG ASP A 68 9.875 -6.607 10.039 1.00 0.00 C ATOM 973 OD1 ASP A 68 10.171 -5.424 10.309 1.00 0.00 O ATOM 974 OD2 ASP A 68 9.620 -7.465 10.909 1.00 0.00 O ATOM 0 H ASP A 68 7.447 -7.639 8.780 1.00 0.00 H new ATOM 0 HA ASP A 68 8.721 -5.241 8.096 1.00 0.00 H new ATOM 0 HB2 ASP A 68 9.656 -8.096 8.518 1.00 0.00 H new ATOM 0 HB3 ASP A 68 10.788 -6.820 8.115 1.00 0.00 H new ATOM 979 N GLY A 69 8.946 -7.592 5.769 1.00 0.00 N ATOM 980 CA GLY A 69 9.193 -7.787 4.352 1.00 0.00 C ATOM 981 C GLY A 69 8.431 -6.801 3.489 1.00 0.00 C ATOM 982 O GLY A 69 9.029 -6.019 2.750 1.00 0.00 O ATOM 0 H GLY A 69 8.735 -8.444 6.289 1.00 0.00 H new ATOM 0 HA2 GLY A 69 10.261 -7.688 4.156 1.00 0.00 H new ATOM 0 HA3 GLY A 69 8.911 -8.802 4.074 1.00 0.00 H new ATOM 986 N VAL A 70 7.105 -6.838 3.581 1.00 0.00 N ATOM 987 CA VAL A 70 6.259 -5.941 2.803 1.00 0.00 C ATOM 988 C VAL A 70 6.643 -4.484 3.034 1.00 0.00 C ATOM 989 O VAL A 70 6.860 -3.730 2.086 1.00 0.00 O ATOM 990 CB VAL A 70 4.771 -6.130 3.151 1.00 0.00 C ATOM 991 CG1 VAL A 70 3.903 -5.212 2.304 1.00 0.00 C ATOM 992 CG2 VAL A 70 4.361 -7.584 2.966 1.00 0.00 C ATOM 0 H VAL A 70 6.594 -7.480 4.187 1.00 0.00 H new ATOM 0 HA VAL A 70 6.414 -6.192 1.754 1.00 0.00 H new ATOM 0 HB VAL A 70 4.625 -5.865 4.198 1.00 0.00 H new ATOM 0 HG11 VAL A 70 2.855 -5.360 2.564 1.00 0.00 H new ATOM 0 HG12 VAL A 70 4.180 -4.175 2.491 1.00 0.00 H new ATOM 0 HG13 VAL A 70 4.051 -5.443 1.249 1.00 0.00 H new ATOM 0 HG21 VAL A 70 3.306 -7.699 3.216 1.00 0.00 H new ATOM 0 HG22 VAL A 70 4.522 -7.878 1.929 1.00 0.00 H new ATOM 0 HG23 VAL A 70 4.961 -8.217 3.620 1.00 0.00 H new ATOM 1002 N VAL A 71 6.726 -4.094 4.303 1.00 0.00 N ATOM 1003 CA VAL A 71 7.085 -2.727 4.660 1.00 0.00 C ATOM 1004 C VAL A 71 8.486 -2.381 4.168 1.00 0.00 C ATOM 1005 O VAL A 71 8.856 -1.210 4.093 1.00 0.00 O ATOM 1006 CB VAL A 71 7.020 -2.510 6.184 1.00 0.00 C ATOM 1007 CG1 VAL A 71 7.718 -1.215 6.569 1.00 0.00 C ATOM 1008 CG2 VAL A 71 5.574 -2.507 6.659 1.00 0.00 C ATOM 0 H VAL A 71 6.549 -4.706 5.100 1.00 0.00 H new ATOM 0 HA VAL A 71 6.361 -2.072 4.176 1.00 0.00 H new ATOM 0 HB VAL A 71 7.539 -3.334 6.674 1.00 0.00 H new ATOM 0 HG11 VAL A 71 7.662 -1.079 7.649 1.00 0.00 H new ATOM 0 HG12 VAL A 71 8.763 -1.260 6.263 1.00 0.00 H new ATOM 0 HG13 VAL A 71 7.230 -0.377 6.072 1.00 0.00 H new ATOM 0 HG21 VAL A 71 5.546 -2.353 7.738 1.00 0.00 H new ATOM 0 HG22 VAL A 71 5.030 -1.703 6.163 1.00 0.00 H new ATOM 0 HG23 VAL A 71 5.110 -3.463 6.417 1.00 0.00 H new ATOM 1018 N GLU A 72 9.261 -3.408 3.834 1.00 0.00 N ATOM 1019 CA GLU A 72 10.622 -3.211 3.350 1.00 0.00 C ATOM 1020 C GLU A 72 10.622 -2.797 1.881 1.00 0.00 C ATOM 1021 O GLU A 72 11.372 -1.909 1.476 1.00 0.00 O ATOM 1022 CB GLU A 72 11.441 -4.491 3.530 1.00 0.00 C ATOM 1023 CG GLU A 72 12.940 -4.252 3.585 1.00 0.00 C ATOM 1024 CD GLU A 72 13.431 -3.948 4.987 1.00 0.00 C ATOM 1025 OE1 GLU A 72 13.409 -4.863 5.836 1.00 0.00 O ATOM 1026 OE2 GLU A 72 13.838 -2.793 5.236 1.00 0.00 O ATOM 0 H GLU A 72 8.970 -4.384 3.890 1.00 0.00 H new ATOM 0 HA GLU A 72 11.077 -2.412 3.935 1.00 0.00 H new ATOM 0 HB2 GLU A 72 11.127 -4.987 4.448 1.00 0.00 H new ATOM 0 HB3 GLU A 72 11.220 -5.172 2.708 1.00 0.00 H new ATOM 0 HG2 GLU A 72 13.459 -5.132 3.205 1.00 0.00 H new ATOM 0 HG3 GLU A 72 13.196 -3.422 2.926 1.00 0.00 H new ATOM 1033 N MET A 73 9.776 -3.446 1.089 1.00 0.00 N ATOM 1034 CA MET A 73 9.677 -3.145 -0.335 1.00 0.00 C ATOM 1035 C MET A 73 9.393 -1.663 -0.558 1.00 0.00 C ATOM 1036 O MET A 73 9.919 -1.055 -1.491 1.00 0.00 O ATOM 1037 CB MET A 73 8.578 -3.990 -0.982 1.00 0.00 C ATOM 1038 CG MET A 73 8.820 -5.487 -0.873 1.00 0.00 C ATOM 1039 SD MET A 73 10.251 -6.031 -1.826 1.00 0.00 S ATOM 1040 CE MET A 73 9.491 -7.217 -2.932 1.00 0.00 C ATOM 0 H MET A 73 9.149 -4.184 1.409 1.00 0.00 H new ATOM 0 HA MET A 73 10.632 -3.388 -0.800 1.00 0.00 H new ATOM 0 HB2 MET A 73 7.623 -3.749 -0.514 1.00 0.00 H new ATOM 0 HB3 MET A 73 8.495 -3.719 -2.035 1.00 0.00 H new ATOM 0 HG2 MET A 73 8.964 -5.752 0.174 1.00 0.00 H new ATOM 0 HG3 MET A 73 7.934 -6.020 -1.218 1.00 0.00 H new ATOM 0 HE1 MET A 73 10.074 -7.283 -3.851 1.00 0.00 H new ATOM 0 HE2 MET A 73 9.460 -8.195 -2.451 1.00 0.00 H new ATOM 0 HE3 MET A 73 8.476 -6.896 -3.168 1.00 0.00 H new ATOM 1050 N ILE A 74 8.560 -1.089 0.302 1.00 0.00 N ATOM 1051 CA ILE A 74 8.208 0.322 0.198 1.00 0.00 C ATOM 1052 C ILE A 74 9.411 1.212 0.489 1.00 0.00 C ATOM 1053 O ILE A 74 9.594 2.252 -0.143 1.00 0.00 O ATOM 1054 CB ILE A 74 7.066 0.690 1.164 1.00 0.00 C ATOM 1055 CG1 ILE A 74 5.790 -0.069 0.793 1.00 0.00 C ATOM 1056 CG2 ILE A 74 6.820 2.191 1.146 1.00 0.00 C ATOM 1057 CD1 ILE A 74 4.836 -0.251 1.953 1.00 0.00 C ATOM 0 H ILE A 74 8.116 -1.579 1.079 1.00 0.00 H new ATOM 0 HA ILE A 74 7.875 0.489 -0.826 1.00 0.00 H new ATOM 0 HB ILE A 74 7.357 0.401 2.174 1.00 0.00 H new ATOM 0 HG12 ILE A 74 5.278 0.466 -0.007 1.00 0.00 H new ATOM 0 HG13 ILE A 74 6.061 -1.048 0.399 1.00 0.00 H new ATOM 0 HG21 ILE A 74 6.010 2.435 1.834 1.00 0.00 H new ATOM 0 HG22 ILE A 74 7.727 2.712 1.453 1.00 0.00 H new ATOM 0 HG23 ILE A 74 6.547 2.503 0.138 1.00 0.00 H new ATOM 0 HD11 ILE A 74 3.954 -0.797 1.617 1.00 0.00 H new ATOM 0 HD12 ILE A 74 5.330 -0.813 2.746 1.00 0.00 H new ATOM 0 HD13 ILE A 74 4.535 0.725 2.333 1.00 0.00 H new ATOM 1069 N ARG A 75 10.231 0.795 1.449 1.00 0.00 N ATOM 1070 CA ARG A 75 11.418 1.554 1.824 1.00 0.00 C ATOM 1071 C ARG A 75 12.441 1.555 0.692 1.00 0.00 C ATOM 1072 O ARG A 75 13.305 2.430 0.622 1.00 0.00 O ATOM 1073 CB ARG A 75 12.043 0.970 3.091 1.00 0.00 C ATOM 1074 CG ARG A 75 11.405 1.476 4.375 1.00 0.00 C ATOM 1075 CD ARG A 75 12.129 0.948 5.603 1.00 0.00 C ATOM 1076 NE ARG A 75 13.534 1.345 5.623 1.00 0.00 N ATOM 1077 CZ ARG A 75 14.362 1.069 6.625 1.00 0.00 C ATOM 1078 NH1 ARG A 75 13.926 0.398 7.683 1.00 0.00 N ATOM 1079 NH2 ARG A 75 15.627 1.464 6.571 1.00 0.00 N ATOM 0 H ARG A 75 10.095 -0.065 1.981 1.00 0.00 H new ATOM 0 HA ARG A 75 11.115 2.583 2.018 1.00 0.00 H new ATOM 0 HB2 ARG A 75 11.961 -0.116 3.059 1.00 0.00 H new ATOM 0 HB3 ARG A 75 13.106 1.209 3.105 1.00 0.00 H new ATOM 0 HG2 ARG A 75 11.418 2.566 4.384 1.00 0.00 H new ATOM 0 HG3 ARG A 75 10.359 1.170 4.408 1.00 0.00 H new ATOM 0 HD2 ARG A 75 11.635 1.317 6.502 1.00 0.00 H new ATOM 0 HD3 ARG A 75 12.059 -0.140 5.625 1.00 0.00 H new ATOM 0 HE ARG A 75 13.900 1.863 4.824 1.00 0.00 H new ATOM 0 HH11 ARG A 75 12.954 0.093 7.728 1.00 0.00 H new ATOM 0 HH12 ARG A 75 14.563 0.187 8.451 1.00 0.00 H new ATOM 0 HH21 ARG A 75 15.966 1.981 5.759 1.00 0.00 H new ATOM 0 HH22 ARG A 75 16.261 1.251 7.341 1.00 0.00 H new ATOM 1093 N LYS A 76 12.339 0.569 -0.192 1.00 0.00 N ATOM 1094 CA LYS A 76 13.255 0.455 -1.322 1.00 0.00 C ATOM 1095 C LYS A 76 12.733 1.234 -2.525 1.00 0.00 C ATOM 1096 O LYS A 76 13.304 1.170 -3.613 1.00 0.00 O ATOM 1097 CB LYS A 76 13.452 -1.015 -1.698 1.00 0.00 C ATOM 1098 CG LYS A 76 13.981 -1.869 -0.559 1.00 0.00 C ATOM 1099 CD LYS A 76 14.552 -3.183 -1.066 1.00 0.00 C ATOM 1100 CE LYS A 76 14.570 -4.241 0.027 1.00 0.00 C ATOM 1101 NZ LYS A 76 13.258 -4.933 0.151 1.00 0.00 N ATOM 0 H LYS A 76 11.631 -0.164 -0.148 1.00 0.00 H new ATOM 0 HA LYS A 76 14.214 0.879 -1.026 1.00 0.00 H new ATOM 0 HB2 LYS A 76 12.501 -1.425 -2.037 1.00 0.00 H new ATOM 0 HB3 LYS A 76 14.143 -1.077 -2.539 1.00 0.00 H new ATOM 0 HG2 LYS A 76 14.753 -1.320 -0.019 1.00 0.00 H new ATOM 0 HG3 LYS A 76 13.178 -2.070 0.150 1.00 0.00 H new ATOM 0 HD2 LYS A 76 13.958 -3.538 -1.908 1.00 0.00 H new ATOM 0 HD3 LYS A 76 15.565 -3.023 -1.435 1.00 0.00 H new ATOM 0 HE2 LYS A 76 15.348 -4.973 -0.189 1.00 0.00 H new ATOM 0 HE3 LYS A 76 14.826 -3.776 0.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 13.312 -5.646 0.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 12.520 -4.238 0.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 13.025 -5.399 -0.749 1.00 0.00 H new ATOM 1115 N GLY A 77 11.646 1.971 -2.322 1.00 0.00 N ATOM 1116 CA GLY A 77 11.067 2.753 -3.399 1.00 0.00 C ATOM 1117 C GLY A 77 11.693 4.129 -3.518 1.00 0.00 C ATOM 1118 O GLY A 77 11.580 4.782 -4.554 1.00 0.00 O ATOM 0 H GLY A 77 11.155 2.041 -1.430 1.00 0.00 H new ATOM 0 HA2 GLY A 77 11.192 2.218 -4.340 1.00 0.00 H new ATOM 0 HA3 GLY A 77 9.995 2.858 -3.232 1.00 0.00 H new ATOM 1122 N GLY A 78 12.354 4.571 -2.452 1.00 0.00 N ATOM 1123 CA GLY A 78 12.988 5.876 -2.462 1.00 0.00 C ATOM 1124 C GLY A 78 12.021 6.993 -2.123 1.00 0.00 C ATOM 1125 O GLY A 78 11.532 7.080 -0.997 1.00 0.00 O ATOM 0 H GLY A 78 12.461 4.049 -1.582 1.00 0.00 H new ATOM 0 HA2 GLY A 78 13.811 5.882 -1.747 1.00 0.00 H new ATOM 0 HA3 GLY A 78 13.420 6.059 -3.446 1.00 0.00 H new ATOM 1129 N ASP A 79 11.746 7.851 -3.099 1.00 0.00 N ATOM 1130 CA ASP A 79 10.831 8.969 -2.899 1.00 0.00 C ATOM 1131 C ASP A 79 9.384 8.529 -3.094 1.00 0.00 C ATOM 1132 O ASP A 79 8.561 8.650 -2.187 1.00 0.00 O ATOM 1133 CB ASP A 79 11.165 10.108 -3.864 1.00 0.00 C ATOM 1134 CG ASP A 79 10.509 11.415 -3.466 1.00 0.00 C ATOM 1135 OD1 ASP A 79 9.323 11.611 -3.805 1.00 0.00 O ATOM 1136 OD2 ASP A 79 11.180 12.242 -2.814 1.00 0.00 O ATOM 0 H ASP A 79 12.143 7.794 -4.037 1.00 0.00 H new ATOM 0 HA ASP A 79 10.949 9.324 -1.875 1.00 0.00 H new ATOM 0 HB2 ASP A 79 12.246 10.244 -3.901 1.00 0.00 H new ATOM 0 HB3 ASP A 79 10.844 9.835 -4.869 1.00 0.00 H new ATOM 1141 N GLN A 80 9.081 8.019 -4.284 1.00 0.00 N ATOM 1142 CA GLN A 80 7.732 7.563 -4.598 1.00 0.00 C ATOM 1143 C GLN A 80 7.705 6.054 -4.816 1.00 0.00 C ATOM 1144 O GLN A 80 8.694 5.459 -5.246 1.00 0.00 O ATOM 1145 CB GLN A 80 7.205 8.280 -5.843 1.00 0.00 C ATOM 1146 CG GLN A 80 7.783 7.744 -7.143 1.00 0.00 C ATOM 1147 CD GLN A 80 7.279 8.496 -8.359 1.00 0.00 C ATOM 1148 OE1 GLN A 80 7.966 9.369 -8.891 1.00 0.00 O ATOM 1149 NE2 GLN A 80 6.075 8.162 -8.806 1.00 0.00 N ATOM 0 H GLN A 80 9.751 7.911 -5.046 1.00 0.00 H new ATOM 0 HA GLN A 80 7.089 7.801 -3.751 1.00 0.00 H new ATOM 0 HB2 GLN A 80 6.119 8.189 -5.873 1.00 0.00 H new ATOM 0 HB3 GLN A 80 7.433 9.343 -5.764 1.00 0.00 H new ATOM 0 HG2 GLN A 80 8.871 7.807 -7.106 1.00 0.00 H new ATOM 0 HG3 GLN A 80 7.528 6.689 -7.242 1.00 0.00 H new ATOM 0 HE21 GLN A 80 5.540 7.433 -8.334 1.00 0.00 H new ATOM 0 HE22 GLN A 80 5.684 8.635 -9.621 1.00 0.00 H new ATOM 1158 N THR A 81 6.565 5.438 -4.516 1.00 0.00 N ATOM 1159 CA THR A 81 6.409 3.998 -4.677 1.00 0.00 C ATOM 1160 C THR A 81 5.014 3.649 -5.180 1.00 0.00 C ATOM 1161 O THR A 81 4.053 4.380 -4.935 1.00 0.00 O ATOM 1162 CB THR A 81 6.666 3.253 -3.353 1.00 0.00 C ATOM 1163 OG1 THR A 81 6.311 1.873 -3.490 1.00 0.00 O ATOM 1164 CG2 THR A 81 5.869 3.877 -2.218 1.00 0.00 C ATOM 0 H THR A 81 5.736 5.915 -4.160 1.00 0.00 H new ATOM 0 HA THR A 81 7.148 3.681 -5.413 1.00 0.00 H new ATOM 0 HB THR A 81 7.727 3.332 -3.117 1.00 0.00 H new ATOM 0 HG1 THR A 81 6.668 1.526 -4.334 1.00 0.00 H new ATOM 0 HG21 THR A 81 6.066 3.334 -1.294 1.00 0.00 H new ATOM 0 HG22 THR A 81 6.163 4.919 -2.097 1.00 0.00 H new ATOM 0 HG23 THR A 81 4.805 3.825 -2.449 1.00 0.00 H new ATOM 1172 N THR A 82 4.907 2.527 -5.885 1.00 0.00 N ATOM 1173 CA THR A 82 3.628 2.081 -6.424 1.00 0.00 C ATOM 1174 C THR A 82 3.078 0.902 -5.629 1.00 0.00 C ATOM 1175 O THR A 82 3.787 -0.073 -5.374 1.00 0.00 O ATOM 1176 CB THR A 82 3.753 1.675 -7.904 1.00 0.00 C ATOM 1177 OG1 THR A 82 4.383 2.723 -8.649 1.00 0.00 O ATOM 1178 CG2 THR A 82 2.386 1.374 -8.500 1.00 0.00 C ATOM 0 H THR A 82 5.691 1.910 -6.096 1.00 0.00 H new ATOM 0 HA THR A 82 2.940 2.922 -6.343 1.00 0.00 H new ATOM 0 HB THR A 82 4.363 0.773 -7.960 1.00 0.00 H new ATOM 0 HG1 THR A 82 4.460 2.456 -9.589 1.00 0.00 H new ATOM 0 HG21 THR A 82 2.500 1.090 -9.546 1.00 0.00 H new ATOM 0 HG22 THR A 82 1.921 0.556 -7.950 1.00 0.00 H new ATOM 0 HG23 THR A 82 1.756 2.261 -8.432 1.00 0.00 H new ATOM 1186 N LEU A 83 1.811 0.996 -5.241 1.00 0.00 N ATOM 1187 CA LEU A 83 1.165 -0.064 -4.475 1.00 0.00 C ATOM 1188 C LEU A 83 0.031 -0.699 -5.274 1.00 0.00 C ATOM 1189 O LEU A 83 -0.542 -0.071 -6.165 1.00 0.00 O ATOM 1190 CB LEU A 83 0.627 0.488 -3.154 1.00 0.00 C ATOM 1191 CG LEU A 83 1.397 1.667 -2.557 1.00 0.00 C ATOM 1192 CD1 LEU A 83 0.927 1.946 -1.137 1.00 0.00 C ATOM 1193 CD2 LEU A 83 2.894 1.393 -2.581 1.00 0.00 C ATOM 0 H LEU A 83 1.211 1.795 -5.444 1.00 0.00 H new ATOM 0 HA LEU A 83 1.910 -0.831 -4.263 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -0.408 0.795 -3.306 1.00 0.00 H new ATOM 0 HB3 LEU A 83 0.616 -0.320 -2.423 1.00 0.00 H new ATOM 0 HG LEU A 83 1.200 2.551 -3.164 1.00 0.00 H new ATOM 0 HD11 LEU A 83 1.485 2.788 -0.728 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -0.136 2.186 -1.146 1.00 0.00 H new ATOM 0 HD13 LEU A 83 1.095 1.064 -0.518 1.00 0.00 H new ATOM 0 HD21 LEU A 83 3.426 2.242 -2.153 1.00 0.00 H new ATOM 0 HD22 LEU A 83 3.109 0.498 -1.998 1.00 0.00 H new ATOM 0 HD23 LEU A 83 3.220 1.242 -3.610 1.00 0.00 H new ATOM 1205 N LEU A 84 -0.290 -1.946 -4.947 1.00 0.00 N ATOM 1206 CA LEU A 84 -1.358 -2.666 -5.633 1.00 0.00 C ATOM 1207 C LEU A 84 -2.350 -3.250 -4.632 1.00 0.00 C ATOM 1208 O LEU A 84 -2.062 -4.244 -3.965 1.00 0.00 O ATOM 1209 CB LEU A 84 -0.773 -3.782 -6.500 1.00 0.00 C ATOM 1210 CG LEU A 84 -1.777 -4.584 -7.328 1.00 0.00 C ATOM 1211 CD1 LEU A 84 -2.406 -3.708 -8.400 1.00 0.00 C ATOM 1212 CD2 LEU A 84 -1.104 -5.797 -7.954 1.00 0.00 C ATOM 0 H LEU A 84 0.174 -2.480 -4.212 1.00 0.00 H new ATOM 0 HA LEU A 84 -1.888 -1.959 -6.272 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -0.042 -3.342 -7.178 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -0.232 -4.472 -5.853 1.00 0.00 H new ATOM 0 HG LEU A 84 -2.568 -4.934 -6.665 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -3.118 -4.296 -8.979 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -2.924 -2.872 -7.929 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.628 -3.327 -9.061 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -1.834 -6.356 -8.540 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -0.293 -5.468 -8.603 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -0.703 -6.437 -7.168 1.00 0.00 H new ATOM 1224 N VAL A 85 -3.520 -2.628 -4.534 1.00 0.00 N ATOM 1225 CA VAL A 85 -4.556 -3.088 -3.617 1.00 0.00 C ATOM 1226 C VAL A 85 -5.759 -3.635 -4.377 1.00 0.00 C ATOM 1227 O VAL A 85 -5.978 -3.296 -5.541 1.00 0.00 O ATOM 1228 CB VAL A 85 -5.024 -1.955 -2.684 1.00 0.00 C ATOM 1229 CG1 VAL A 85 -3.832 -1.289 -2.013 1.00 0.00 C ATOM 1230 CG2 VAL A 85 -5.850 -0.937 -3.455 1.00 0.00 C ATOM 0 H VAL A 85 -3.774 -1.804 -5.078 1.00 0.00 H new ATOM 0 HA VAL A 85 -4.116 -3.884 -3.017 1.00 0.00 H new ATOM 0 HB VAL A 85 -5.654 -2.386 -1.906 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -4.182 -0.491 -1.358 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -3.286 -2.027 -1.426 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -3.173 -0.871 -2.774 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -6.172 -0.144 -2.780 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -5.246 -0.510 -4.255 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -6.725 -1.427 -3.883 1.00 0.00 H new ATOM 1240 N LEU A 86 -6.537 -4.482 -3.712 1.00 0.00 N ATOM 1241 CA LEU A 86 -7.720 -5.076 -4.325 1.00 0.00 C ATOM 1242 C LEU A 86 -8.959 -4.229 -4.051 1.00 0.00 C ATOM 1243 O LEU A 86 -9.112 -3.668 -2.966 1.00 0.00 O ATOM 1244 CB LEU A 86 -7.933 -6.497 -3.798 1.00 0.00 C ATOM 1245 CG LEU A 86 -7.251 -7.614 -4.589 1.00 0.00 C ATOM 1246 CD1 LEU A 86 -7.831 -7.706 -5.991 1.00 0.00 C ATOM 1247 CD2 LEU A 86 -5.747 -7.387 -4.645 1.00 0.00 C ATOM 0 H LEU A 86 -6.370 -4.773 -2.749 1.00 0.00 H new ATOM 0 HA LEU A 86 -7.560 -5.115 -5.402 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -7.578 -6.539 -2.768 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -9.004 -6.698 -3.774 1.00 0.00 H new ATOM 0 HG LEU A 86 -7.436 -8.559 -4.079 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -7.333 -8.506 -6.539 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -8.899 -7.917 -5.930 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -7.678 -6.760 -6.511 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -5.278 -8.192 -5.212 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -5.541 -6.433 -5.131 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -5.343 -7.373 -3.633 1.00 0.00 H new