USER MOD reduce.3.24.130724 H: found=0, std=0, add=665, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 666 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 30 CYS SG : rot 27:sc= 1.11 USER MOD Set 1.2: A 79 CYS SG : rot -177:sc= 1.38 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= -0.0461 K(o=-0.046,f=-1.5!) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 MET CE :methyl -121:sc= -1.62 (180deg=-2.15) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ -145:sc= 1.25 (180deg=1.09) USER MOD Single : A 46 ASN : amide:sc= 1.15 K(o=1.1,f=-0.11) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -0.479 K(o=-0.48,f=-1.4) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.0147 USER MOD Single : A 62 CYS SG : rot -120:sc= 0 USER MOD Single : A 65 GLN : amide:sc= -0.0312 X(o=-0.031,f=-0.31) USER MOD Single : A 67 CYS SG : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl 168:sc= -0.553 (180deg=-0.659) USER MOD Single : A 77 TYR OH : rot -21:sc= 0.815 USER MOD Single : A 81 CYS SG : rot -45:sc= 0.24 USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 THR OG1 : rot 75:sc= -0.597 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 80 N ALA A 9 1.580 16.434 -1.566 1.00 0.00 N ATOM 81 CA ALA A 9 2.471 15.534 -0.845 1.00 0.00 C ATOM 82 C ALA A 9 3.497 14.907 -1.783 1.00 0.00 C ATOM 83 O ALA A 9 3.255 14.773 -2.983 1.00 0.00 O ATOM 84 CB ALA A 9 1.669 14.451 -0.138 1.00 0.00 C ATOM 0 HA ALA A 9 3.009 16.118 -0.099 1.00 0.00 H new ATOM 0 HB1 ALA A 9 2.348 13.786 0.396 1.00 0.00 H new ATOM 0 HB2 ALA A 9 0.980 14.912 0.570 1.00 0.00 H new ATOM 0 HB3 ALA A 9 1.104 13.878 -0.873 1.00 0.00 H new ATOM 90 N LYS A 10 4.643 14.526 -1.230 1.00 0.00 N ATOM 91 CA LYS A 10 5.706 13.913 -2.017 1.00 0.00 C ATOM 92 C LYS A 10 6.177 12.612 -1.376 1.00 0.00 C ATOM 93 O LYS A 10 6.486 12.572 -0.184 1.00 0.00 O ATOM 94 CB LYS A 10 6.885 14.879 -2.161 1.00 0.00 C ATOM 95 CG LYS A 10 6.520 16.187 -2.841 1.00 0.00 C ATOM 96 CD LYS A 10 7.724 16.817 -3.521 1.00 0.00 C ATOM 97 CE LYS A 10 7.313 17.965 -4.430 1.00 0.00 C ATOM 98 NZ LYS A 10 8.404 18.346 -5.370 1.00 0.00 N ATOM 0 H LYS A 10 4.860 14.631 -0.239 1.00 0.00 H new ATOM 0 HA LYS A 10 5.307 13.687 -3.006 1.00 0.00 H new ATOM 0 HB2 LYS A 10 7.291 15.094 -1.172 1.00 0.00 H new ATOM 0 HB3 LYS A 10 7.676 14.391 -2.731 1.00 0.00 H new ATOM 0 HG2 LYS A 10 5.737 16.009 -3.578 1.00 0.00 H new ATOM 0 HG3 LYS A 10 6.113 16.880 -2.104 1.00 0.00 H new ATOM 0 HD2 LYS A 10 8.421 17.181 -2.766 1.00 0.00 H new ATOM 0 HD3 LYS A 10 8.251 16.061 -4.103 1.00 0.00 H new ATOM 0 HE2 LYS A 10 6.428 17.679 -4.998 1.00 0.00 H new ATOM 0 HE3 LYS A 10 7.038 18.828 -3.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 8.085 19.132 -5.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 9.241 18.643 -4.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 8.649 17.530 -5.966 1.00 0.00 H new ATOM 112 N PHE A 11 6.231 11.550 -2.173 1.00 0.00 N ATOM 113 CA PHE A 11 6.665 10.247 -1.682 1.00 0.00 C ATOM 114 C PHE A 11 8.117 10.297 -1.217 1.00 0.00 C ATOM 115 O PHE A 11 9.037 10.429 -2.025 1.00 0.00 O ATOM 116 CB PHE A 11 6.504 9.188 -2.775 1.00 0.00 C ATOM 117 CG PHE A 11 5.082 8.750 -2.981 1.00 0.00 C ATOM 118 CD1 PHE A 11 4.499 7.822 -2.133 1.00 0.00 C ATOM 119 CD2 PHE A 11 4.329 9.267 -4.022 1.00 0.00 C ATOM 120 CE1 PHE A 11 3.191 7.418 -2.320 1.00 0.00 C ATOM 121 CE2 PHE A 11 3.020 8.867 -4.214 1.00 0.00 C ATOM 122 CZ PHE A 11 2.450 7.940 -3.362 1.00 0.00 C ATOM 0 H PHE A 11 5.980 11.566 -3.161 1.00 0.00 H new ATOM 0 HA PHE A 11 6.039 9.980 -0.831 1.00 0.00 H new ATOM 0 HB2 PHE A 11 6.893 9.584 -3.713 1.00 0.00 H new ATOM 0 HB3 PHE A 11 7.110 8.319 -2.520 1.00 0.00 H new ATOM 0 HD1 PHE A 11 5.074 7.410 -1.317 1.00 0.00 H new ATOM 0 HD2 PHE A 11 4.770 9.991 -4.691 1.00 0.00 H new ATOM 0 HE1 PHE A 11 2.748 6.694 -1.652 1.00 0.00 H new ATOM 0 HE2 PHE A 11 2.443 9.278 -5.029 1.00 0.00 H new ATOM 0 HZ PHE A 11 1.428 7.625 -3.511 1.00 0.00 H new ATOM 132 N THR A 12 8.317 10.192 0.093 1.00 0.00 N ATOM 133 CA THR A 12 9.656 10.227 0.668 1.00 0.00 C ATOM 134 C THR A 12 10.333 8.865 0.567 1.00 0.00 C ATOM 135 O THR A 12 11.531 8.776 0.299 1.00 0.00 O ATOM 136 CB THR A 12 9.622 10.662 2.145 1.00 0.00 C ATOM 137 OG1 THR A 12 8.741 9.810 2.887 1.00 0.00 O ATOM 138 CG2 THR A 12 9.165 12.107 2.273 1.00 0.00 C ATOM 0 H THR A 12 7.568 10.082 0.776 1.00 0.00 H new ATOM 0 HA THR A 12 10.227 10.957 0.095 1.00 0.00 H new ATOM 0 HB THR A 12 10.631 10.580 2.548 1.00 0.00 H new ATOM 0 HG1 THR A 12 8.726 10.092 3.825 1.00 0.00 H new ATOM 0 HG21 THR A 12 9.149 12.392 3.325 1.00 0.00 H new ATOM 0 HG22 THR A 12 9.854 12.756 1.732 1.00 0.00 H new ATOM 0 HG23 THR A 12 8.164 12.211 1.854 1.00 0.00 H new ATOM 146 N GLU A 13 9.559 7.806 0.782 1.00 0.00 N ATOM 147 CA GLU A 13 10.086 6.448 0.714 1.00 0.00 C ATOM 148 C GLU A 13 9.570 5.725 -0.527 1.00 0.00 C ATOM 149 O GLU A 13 10.309 4.995 -1.186 1.00 0.00 O ATOM 150 CB GLU A 13 9.702 5.665 1.971 1.00 0.00 C ATOM 151 CG GLU A 13 10.084 6.364 3.265 1.00 0.00 C ATOM 152 CD GLU A 13 11.581 6.372 3.504 1.00 0.00 C ATOM 153 OE1 GLU A 13 12.263 7.269 2.966 1.00 0.00 O ATOM 154 OE2 GLU A 13 12.071 5.480 4.229 1.00 0.00 O ATOM 0 H GLU A 13 8.565 7.862 1.005 1.00 0.00 H new ATOM 0 HA GLU A 13 11.172 6.510 0.651 1.00 0.00 H new ATOM 0 HB2 GLU A 13 8.626 5.491 1.966 1.00 0.00 H new ATOM 0 HB3 GLU A 13 10.183 4.687 1.941 1.00 0.00 H new ATOM 0 HG2 GLU A 13 9.718 7.391 3.241 1.00 0.00 H new ATOM 0 HG3 GLU A 13 9.589 5.869 4.101 1.00 0.00 H new ATOM 161 N GLY A 14 8.294 5.934 -0.838 1.00 0.00 N ATOM 162 CA GLY A 14 7.700 5.295 -1.998 1.00 0.00 C ATOM 163 C GLY A 14 7.459 3.814 -1.784 1.00 0.00 C ATOM 164 O GLY A 14 7.919 3.238 -0.797 1.00 0.00 O ATOM 0 H GLY A 14 7.662 6.534 -0.308 1.00 0.00 H new ATOM 0 HA2 GLY A 14 6.755 5.783 -2.234 1.00 0.00 H new ATOM 0 HA3 GLY A 14 8.353 5.433 -2.859 1.00 0.00 H new ATOM 168 N LEU A 15 6.734 3.195 -2.709 1.00 0.00 N ATOM 169 CA LEU A 15 6.430 1.771 -2.617 1.00 0.00 C ATOM 170 C LEU A 15 7.667 0.930 -2.916 1.00 0.00 C ATOM 171 O LEU A 15 8.670 1.439 -3.416 1.00 0.00 O ATOM 172 CB LEU A 15 5.304 1.405 -3.586 1.00 0.00 C ATOM 173 CG LEU A 15 3.890 1.785 -3.145 1.00 0.00 C ATOM 174 CD1 LEU A 15 2.899 1.558 -4.277 1.00 0.00 C ATOM 175 CD2 LEU A 15 3.484 0.991 -1.912 1.00 0.00 C ATOM 0 H LEU A 15 6.346 3.657 -3.531 1.00 0.00 H new ATOM 0 HA LEU A 15 6.106 1.559 -1.598 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.506 1.885 -4.544 1.00 0.00 H new ATOM 0 HB3 LEU A 15 5.333 0.329 -3.756 1.00 0.00 H new ATOM 0 HG LEU A 15 3.882 2.845 -2.889 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.898 1.834 -3.945 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.179 2.171 -5.134 1.00 0.00 H new ATOM 0 HD13 LEU A 15 2.909 0.507 -4.564 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.475 1.275 -1.613 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.509 -0.074 -2.141 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.177 1.203 -1.098 1.00 0.00 H new ATOM 187 N ARG A 16 7.587 -0.361 -2.608 1.00 0.00 N ATOM 188 CA ARG A 16 8.699 -1.273 -2.845 1.00 0.00 C ATOM 189 C ARG A 16 8.193 -2.675 -3.171 1.00 0.00 C ATOM 190 O ARG A 16 6.990 -2.931 -3.150 1.00 0.00 O ATOM 191 CB ARG A 16 9.616 -1.322 -1.621 1.00 0.00 C ATOM 192 CG ARG A 16 8.915 -1.780 -0.353 1.00 0.00 C ATOM 193 CD ARG A 16 9.550 -1.169 0.886 1.00 0.00 C ATOM 194 NE ARG A 16 10.741 -1.900 1.308 1.00 0.00 N ATOM 195 CZ ARG A 16 11.509 -1.530 2.327 1.00 0.00 C ATOM 196 NH1 ARG A 16 11.211 -0.443 3.025 1.00 0.00 N ATOM 197 NH2 ARG A 16 12.577 -2.248 2.650 1.00 0.00 N ATOM 0 H ARG A 16 6.764 -0.798 -2.194 1.00 0.00 H new ATOM 0 HA ARG A 16 9.264 -0.902 -3.700 1.00 0.00 H new ATOM 0 HB2 ARG A 16 10.449 -1.994 -1.828 1.00 0.00 H new ATOM 0 HB3 ARG A 16 10.039 -0.331 -1.455 1.00 0.00 H new ATOM 0 HG2 ARG A 16 7.862 -1.503 -0.398 1.00 0.00 H new ATOM 0 HG3 ARG A 16 8.956 -2.867 -0.286 1.00 0.00 H new ATOM 0 HD2 ARG A 16 9.815 -0.131 0.683 1.00 0.00 H new ATOM 0 HD3 ARG A 16 8.824 -1.160 1.699 1.00 0.00 H new ATOM 0 HE ARG A 16 10.998 -2.741 0.792 1.00 0.00 H new ATOM 0 HH11 ARG A 16 10.391 0.111 2.780 1.00 0.00 H new ATOM 0 HH12 ARG A 16 11.802 -0.161 3.807 1.00 0.00 H new ATOM 0 HH21 ARG A 16 12.809 -3.085 2.116 1.00 0.00 H new ATOM 0 HH22 ARG A 16 13.166 -1.963 3.433 1.00 0.00 H new ATOM 211 N ASN A 17 9.120 -3.579 -3.471 1.00 0.00 N ATOM 212 CA ASN A 17 8.767 -4.955 -3.802 1.00 0.00 C ATOM 213 C ASN A 17 8.744 -5.826 -2.550 1.00 0.00 C ATOM 214 O ASN A 17 9.603 -5.701 -1.679 1.00 0.00 O ATOM 215 CB ASN A 17 9.759 -5.527 -4.817 1.00 0.00 C ATOM 216 CG ASN A 17 11.083 -5.906 -4.181 1.00 0.00 C ATOM 217 OD1 ASN A 17 11.781 -5.060 -3.622 1.00 0.00 O ATOM 218 ND2 ASN A 17 11.434 -7.184 -4.265 1.00 0.00 N ATOM 0 H ASN A 17 10.121 -3.384 -3.492 1.00 0.00 H new ATOM 0 HA ASN A 17 7.769 -4.953 -4.240 1.00 0.00 H new ATOM 0 HB2 ASN A 17 9.323 -6.406 -5.292 1.00 0.00 H new ATOM 0 HB3 ASN A 17 9.934 -4.793 -5.604 1.00 0.00 H new ATOM 0 HD21 ASN A 17 12.314 -7.499 -3.856 1.00 0.00 H new ATOM 0 HD22 ASN A 17 10.824 -7.850 -4.738 1.00 0.00 H new ATOM 225 N GLU A 18 7.753 -6.710 -2.469 1.00 0.00 N ATOM 226 CA GLU A 18 7.618 -7.602 -1.324 1.00 0.00 C ATOM 227 C GLU A 18 7.129 -8.979 -1.762 1.00 0.00 C ATOM 228 O GLU A 18 6.807 -9.192 -2.930 1.00 0.00 O ATOM 229 CB GLU A 18 6.651 -7.008 -0.298 1.00 0.00 C ATOM 230 CG GLU A 18 5.253 -6.774 -0.844 1.00 0.00 C ATOM 231 CD GLU A 18 5.228 -5.758 -1.969 1.00 0.00 C ATOM 232 OE1 GLU A 18 6.011 -4.787 -1.908 1.00 0.00 O ATOM 233 OE2 GLU A 18 4.426 -5.933 -2.910 1.00 0.00 O ATOM 0 H GLU A 18 7.033 -6.827 -3.182 1.00 0.00 H new ATOM 0 HA GLU A 18 8.600 -7.713 -0.865 1.00 0.00 H new ATOM 0 HB2 GLU A 18 6.589 -7.677 0.560 1.00 0.00 H new ATOM 0 HB3 GLU A 18 7.054 -6.062 0.063 1.00 0.00 H new ATOM 0 HG2 GLU A 18 4.845 -7.719 -1.204 1.00 0.00 H new ATOM 0 HG3 GLU A 18 4.604 -6.433 -0.037 1.00 0.00 H new ATOM 240 N GLU A 19 7.077 -9.911 -0.815 1.00 0.00 N ATOM 241 CA GLU A 19 6.628 -11.268 -1.104 1.00 0.00 C ATOM 242 C GLU A 19 5.374 -11.608 -0.304 1.00 0.00 C ATOM 243 O GLU A 19 4.999 -10.887 0.620 1.00 0.00 O ATOM 244 CB GLU A 19 7.737 -12.274 -0.786 1.00 0.00 C ATOM 245 CG GLU A 19 8.856 -12.290 -1.814 1.00 0.00 C ATOM 246 CD GLU A 19 10.119 -12.947 -1.291 1.00 0.00 C ATOM 247 OE1 GLU A 19 10.815 -12.322 -0.463 1.00 0.00 O ATOM 248 OE2 GLU A 19 10.410 -14.087 -1.709 1.00 0.00 O ATOM 0 H GLU A 19 7.340 -9.751 0.158 1.00 0.00 H new ATOM 0 HA GLU A 19 6.388 -11.326 -2.166 1.00 0.00 H new ATOM 0 HB2 GLU A 19 8.157 -12.042 0.193 1.00 0.00 H new ATOM 0 HB3 GLU A 19 7.303 -13.271 -0.718 1.00 0.00 H new ATOM 0 HG2 GLU A 19 8.518 -12.819 -2.705 1.00 0.00 H new ATOM 0 HG3 GLU A 19 9.081 -11.267 -2.116 1.00 0.00 H new ATOM 255 N ALA A 20 4.729 -12.712 -0.667 1.00 0.00 N ATOM 256 CA ALA A 20 3.518 -13.150 0.016 1.00 0.00 C ATOM 257 C ALA A 20 3.124 -14.559 -0.413 1.00 0.00 C ATOM 258 O ALA A 20 3.690 -15.113 -1.355 1.00 0.00 O ATOM 259 CB ALA A 20 2.380 -12.176 -0.252 1.00 0.00 C ATOM 0 H ALA A 20 5.025 -13.320 -1.431 1.00 0.00 H new ATOM 0 HA ALA A 20 3.721 -13.169 1.087 1.00 0.00 H new ATOM 0 HB1 ALA A 20 1.482 -12.515 0.264 1.00 0.00 H new ATOM 0 HB2 ALA A 20 2.655 -11.186 0.111 1.00 0.00 H new ATOM 0 HB3 ALA A 20 2.187 -12.128 -1.324 1.00 0.00 H new ATOM 265 N VAL A 21 2.149 -15.134 0.284 1.00 0.00 N ATOM 266 CA VAL A 21 1.678 -16.479 -0.026 1.00 0.00 C ATOM 267 C VAL A 21 0.195 -16.474 -0.378 1.00 0.00 C ATOM 268 O VAL A 21 -0.557 -15.610 0.072 1.00 0.00 O ATOM 269 CB VAL A 21 1.912 -17.440 1.154 1.00 0.00 C ATOM 270 CG1 VAL A 21 1.325 -18.810 0.851 1.00 0.00 C ATOM 271 CG2 VAL A 21 3.396 -17.545 1.470 1.00 0.00 C ATOM 0 H VAL A 21 1.670 -14.689 1.067 1.00 0.00 H new ATOM 0 HA VAL A 21 2.251 -16.826 -0.886 1.00 0.00 H new ATOM 0 HB VAL A 21 1.405 -17.040 2.032 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.500 -19.476 1.696 1.00 0.00 H new ATOM 0 HG12 VAL A 21 0.253 -18.716 0.679 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.801 -19.221 -0.039 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.542 -18.228 2.307 1.00 0.00 H new ATOM 0 HG22 VAL A 21 3.928 -17.921 0.596 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.782 -16.561 1.734 1.00 0.00 H new ATOM 281 N GLU A 22 -0.219 -17.446 -1.185 1.00 0.00 N ATOM 282 CA GLU A 22 -1.613 -17.554 -1.598 1.00 0.00 C ATOM 283 C GLU A 22 -2.529 -17.709 -0.387 1.00 0.00 C ATOM 284 O GLU A 22 -2.303 -18.563 0.470 1.00 0.00 O ATOM 285 CB GLU A 22 -1.798 -18.740 -2.546 1.00 0.00 C ATOM 286 CG GLU A 22 -1.548 -18.398 -4.005 1.00 0.00 C ATOM 287 CD GLU A 22 -2.230 -19.363 -4.956 1.00 0.00 C ATOM 288 OE1 GLU A 22 -1.807 -20.536 -5.014 1.00 0.00 O ATOM 289 OE2 GLU A 22 -3.186 -18.944 -5.642 1.00 0.00 O ATOM 0 H GLU A 22 0.391 -18.170 -1.565 1.00 0.00 H new ATOM 0 HA GLU A 22 -1.882 -16.636 -2.120 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -1.121 -19.541 -2.248 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -2.813 -19.124 -2.440 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -1.903 -17.387 -4.203 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -0.475 -18.402 -4.197 1.00 0.00 H new ATOM 296 N GLY A 23 -3.563 -16.876 -0.323 1.00 0.00 N ATOM 297 CA GLY A 23 -4.497 -16.936 0.786 1.00 0.00 C ATOM 298 C GLY A 23 -4.180 -15.920 1.866 1.00 0.00 C ATOM 299 O GLY A 23 -5.054 -15.539 2.643 1.00 0.00 O ATOM 0 H GLY A 23 -3.771 -16.160 -1.020 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -5.508 -16.765 0.416 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -4.481 -17.937 1.217 1.00 0.00 H new ATOM 303 N ALA A 24 -2.926 -15.483 1.915 1.00 0.00 N ATOM 304 CA ALA A 24 -2.497 -14.505 2.907 1.00 0.00 C ATOM 305 C ALA A 24 -2.901 -13.093 2.497 1.00 0.00 C ATOM 306 O ALA A 24 -3.519 -12.891 1.451 1.00 0.00 O ATOM 307 CB ALA A 24 -0.992 -14.587 3.112 1.00 0.00 C ATOM 0 H ALA A 24 -2.190 -15.791 1.280 1.00 0.00 H new ATOM 0 HA ALA A 24 -2.994 -14.738 3.849 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -0.685 -13.851 3.855 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -0.726 -15.586 3.459 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -0.485 -14.383 2.169 1.00 0.00 H new ATOM 313 N THR A 25 -2.548 -12.116 3.327 1.00 0.00 N ATOM 314 CA THR A 25 -2.875 -10.723 3.052 1.00 0.00 C ATOM 315 C THR A 25 -1.614 -9.898 2.821 1.00 0.00 C ATOM 316 O THR A 25 -0.847 -9.646 3.750 1.00 0.00 O ATOM 317 CB THR A 25 -3.681 -10.097 4.205 1.00 0.00 C ATOM 318 OG1 THR A 25 -4.828 -10.903 4.496 1.00 0.00 O ATOM 319 CG2 THR A 25 -4.124 -8.685 3.851 1.00 0.00 C ATOM 0 H THR A 25 -2.035 -12.265 4.196 1.00 0.00 H new ATOM 0 HA THR A 25 -3.483 -10.713 2.147 1.00 0.00 H new ATOM 0 HB THR A 25 -3.038 -10.050 5.084 1.00 0.00 H new ATOM 0 HG1 THR A 25 -5.334 -10.499 5.231 1.00 0.00 H new ATOM 0 HG21 THR A 25 -4.692 -8.263 4.680 1.00 0.00 H new ATOM 0 HG22 THR A 25 -3.248 -8.066 3.659 1.00 0.00 H new ATOM 0 HG23 THR A 25 -4.751 -8.713 2.960 1.00 0.00 H new ATOM 327 N ALA A 26 -1.407 -9.478 1.577 1.00 0.00 N ATOM 328 CA ALA A 26 -0.240 -8.678 1.226 1.00 0.00 C ATOM 329 C ALA A 26 -0.078 -7.497 2.176 1.00 0.00 C ATOM 330 O ALA A 26 -0.943 -7.237 3.012 1.00 0.00 O ATOM 331 CB ALA A 26 -0.348 -8.191 -0.212 1.00 0.00 C ATOM 0 H ALA A 26 -2.032 -9.678 0.796 1.00 0.00 H new ATOM 0 HA ALA A 26 0.644 -9.309 1.319 1.00 0.00 H new ATOM 0 HB1 ALA A 26 0.530 -7.595 -0.461 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -0.407 -9.048 -0.883 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -1.244 -7.581 -0.323 1.00 0.00 H new ATOM 337 N MET A 27 1.036 -6.784 2.042 1.00 0.00 N ATOM 338 CA MET A 27 1.311 -5.630 2.889 1.00 0.00 C ATOM 339 C MET A 27 2.118 -4.580 2.132 1.00 0.00 C ATOM 340 O MET A 27 3.290 -4.790 1.820 1.00 0.00 O ATOM 341 CB MET A 27 2.067 -6.061 4.147 1.00 0.00 C ATOM 342 CG MET A 27 2.472 -4.900 5.041 1.00 0.00 C ATOM 343 SD MET A 27 1.118 -4.316 6.078 1.00 0.00 S ATOM 344 CE MET A 27 0.421 -3.037 5.035 1.00 0.00 C ATOM 0 H MET A 27 1.762 -6.986 1.355 1.00 0.00 H new ATOM 0 HA MET A 27 0.357 -5.190 3.180 1.00 0.00 H new ATOM 0 HB2 MET A 27 1.443 -6.748 4.718 1.00 0.00 H new ATOM 0 HB3 MET A 27 2.961 -6.611 3.853 1.00 0.00 H new ATOM 0 HG2 MET A 27 3.303 -5.208 5.675 1.00 0.00 H new ATOM 0 HG3 MET A 27 2.831 -4.078 4.422 1.00 0.00 H new ATOM 0 HE1 MET A 27 0.452 -2.082 5.560 1.00 0.00 H new ATOM 0 HE2 MET A 27 0.999 -2.963 4.114 1.00 0.00 H new ATOM 0 HE3 MET A 27 -0.613 -3.286 4.795 1.00 0.00 H new ATOM 354 N LEU A 28 1.483 -3.450 1.840 1.00 0.00 N ATOM 355 CA LEU A 28 2.142 -2.366 1.119 1.00 0.00 C ATOM 356 C LEU A 28 1.958 -1.038 1.845 1.00 0.00 C ATOM 357 O LEU A 28 0.835 -0.560 2.010 1.00 0.00 O ATOM 358 CB LEU A 28 1.590 -2.264 -0.304 1.00 0.00 C ATOM 359 CG LEU A 28 1.966 -3.402 -1.253 1.00 0.00 C ATOM 360 CD1 LEU A 28 0.979 -3.481 -2.408 1.00 0.00 C ATOM 361 CD2 LEU A 28 3.384 -3.217 -1.773 1.00 0.00 C ATOM 0 H LEU A 28 0.513 -3.260 2.091 1.00 0.00 H new ATOM 0 HA LEU A 28 3.208 -2.589 1.073 1.00 0.00 H new ATOM 0 HB2 LEU A 28 0.503 -2.209 -0.247 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.934 -1.326 -0.739 1.00 0.00 H new ATOM 0 HG LEU A 28 1.923 -4.340 -0.700 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.262 -4.297 -3.073 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.023 -3.662 -2.019 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.990 -2.542 -2.961 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.634 -4.036 -2.447 1.00 0.00 H new ATOM 0 HD22 LEU A 28 3.454 -2.271 -2.310 1.00 0.00 H new ATOM 0 HD23 LEU A 28 4.081 -3.211 -0.935 1.00 0.00 H new ATOM 373 N TRP A 29 3.066 -0.446 2.274 1.00 0.00 N ATOM 374 CA TRP A 29 3.027 0.830 2.981 1.00 0.00 C ATOM 375 C TRP A 29 3.894 1.868 2.278 1.00 0.00 C ATOM 376 O TRP A 29 4.769 1.524 1.483 1.00 0.00 O ATOM 377 CB TRP A 29 3.495 0.650 4.426 1.00 0.00 C ATOM 378 CG TRP A 29 4.962 0.365 4.544 1.00 0.00 C ATOM 379 CD1 TRP A 29 5.560 -0.863 4.553 1.00 0.00 C ATOM 380 CD2 TRP A 29 6.014 1.327 4.673 1.00 0.00 C ATOM 381 NE1 TRP A 29 6.921 -0.722 4.679 1.00 0.00 N ATOM 382 CE2 TRP A 29 7.225 0.612 4.754 1.00 0.00 C ATOM 383 CE3 TRP A 29 6.052 2.723 4.726 1.00 0.00 C ATOM 384 CZ2 TRP A 29 8.457 1.247 4.886 1.00 0.00 C ATOM 385 CZ3 TRP A 29 7.275 3.352 4.858 1.00 0.00 C ATOM 386 CH2 TRP A 29 8.464 2.614 4.935 1.00 0.00 C ATOM 0 H TRP A 29 4.003 -0.828 2.145 1.00 0.00 H new ATOM 0 HA TRP A 29 1.997 1.186 2.982 1.00 0.00 H new ATOM 0 HB2 TRP A 29 3.261 1.552 4.991 1.00 0.00 H new ATOM 0 HB3 TRP A 29 2.936 -0.167 4.883 1.00 0.00 H new ATOM 0 HD1 TRP A 29 5.040 -1.806 4.473 1.00 0.00 H new ATOM 0 HE1 TRP A 29 7.596 -1.486 4.711 1.00 0.00 H new ATOM 0 HE3 TRP A 29 5.141 3.300 4.665 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 9.374 0.680 4.948 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 7.315 4.430 4.903 1.00 0.00 H new ATOM 0 HH2 TRP A 29 9.405 3.135 5.035 1.00 0.00 H new ATOM 397 N CYS A 30 3.646 3.139 2.576 1.00 0.00 N ATOM 398 CA CYS A 30 4.405 4.228 1.972 1.00 0.00 C ATOM 399 C CYS A 30 4.247 5.513 2.778 1.00 0.00 C ATOM 400 O CYS A 30 3.181 5.784 3.329 1.00 0.00 O ATOM 401 CB CYS A 30 3.949 4.456 0.530 1.00 0.00 C ATOM 402 SG CYS A 30 2.184 4.810 0.362 1.00 0.00 S ATOM 0 H CYS A 30 2.925 3.440 3.232 1.00 0.00 H new ATOM 0 HA CYS A 30 5.458 3.948 1.972 1.00 0.00 H new ATOM 0 HB2 CYS A 30 4.517 5.285 0.107 1.00 0.00 H new ATOM 0 HB3 CYS A 30 4.189 3.571 -0.060 1.00 0.00 H new ATOM 0 HG CYS A 30 1.746 5.359 1.456 1.00 0.00 H new ATOM 408 N GLU A 31 5.316 6.301 2.842 1.00 0.00 N ATOM 409 CA GLU A 31 5.296 7.557 3.583 1.00 0.00 C ATOM 410 C GLU A 31 5.163 8.745 2.635 1.00 0.00 C ATOM 411 O GLU A 31 5.531 8.664 1.462 1.00 0.00 O ATOM 412 CB GLU A 31 6.567 7.700 4.422 1.00 0.00 C ATOM 413 CG GLU A 31 6.443 7.116 5.819 1.00 0.00 C ATOM 414 CD GLU A 31 7.746 7.169 6.592 1.00 0.00 C ATOM 415 OE1 GLU A 31 8.817 7.055 5.960 1.00 0.00 O ATOM 416 OE2 GLU A 31 7.695 7.326 7.830 1.00 0.00 O ATOM 0 H GLU A 31 6.206 6.092 2.390 1.00 0.00 H new ATOM 0 HA GLU A 31 4.431 7.544 4.246 1.00 0.00 H new ATOM 0 HB2 GLU A 31 7.391 7.209 3.904 1.00 0.00 H new ATOM 0 HB3 GLU A 31 6.824 8.756 4.500 1.00 0.00 H new ATOM 0 HG2 GLU A 31 5.676 7.661 6.370 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.109 6.081 5.748 1.00 0.00 H new ATOM 423 N LEU A 32 4.634 9.849 3.151 1.00 0.00 N ATOM 424 CA LEU A 32 4.451 11.056 2.352 1.00 0.00 C ATOM 425 C LEU A 32 4.869 12.296 3.135 1.00 0.00 C ATOM 426 O LEU A 32 4.716 12.353 4.355 1.00 0.00 O ATOM 427 CB LEU A 32 2.991 11.184 1.914 1.00 0.00 C ATOM 428 CG LEU A 32 2.358 9.929 1.312 1.00 0.00 C ATOM 429 CD1 LEU A 32 0.851 9.939 1.520 1.00 0.00 C ATOM 430 CD2 LEU A 32 2.693 9.820 -0.168 1.00 0.00 C ATOM 0 H LEU A 32 4.324 9.933 4.119 1.00 0.00 H new ATOM 0 HA LEU A 32 5.084 10.977 1.468 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.399 11.487 2.778 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.921 11.989 1.182 1.00 0.00 H new ATOM 0 HG LEU A 32 2.769 9.058 1.822 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.418 9.038 1.085 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.631 9.969 2.587 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.423 10.817 1.037 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.234 8.921 -0.580 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.311 10.695 -0.693 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.774 9.765 -0.293 1.00 0.00 H new ATOM 442 N SER A 33 5.397 13.288 2.425 1.00 0.00 N ATOM 443 CA SER A 33 5.839 14.527 3.053 1.00 0.00 C ATOM 444 C SER A 33 4.745 15.104 3.946 1.00 0.00 C ATOM 445 O SER A 33 5.009 15.941 4.810 1.00 0.00 O ATOM 446 CB SER A 33 6.236 15.551 1.988 1.00 0.00 C ATOM 447 OG SER A 33 6.613 16.783 2.579 1.00 0.00 O ATOM 0 H SER A 33 5.529 13.257 1.414 1.00 0.00 H new ATOM 0 HA SER A 33 6.708 14.301 3.671 1.00 0.00 H new ATOM 0 HB2 SER A 33 7.063 15.161 1.395 1.00 0.00 H new ATOM 0 HB3 SER A 33 5.402 15.712 1.305 1.00 0.00 H new ATOM 0 HG SER A 33 6.864 17.419 1.877 1.00 0.00 H new ATOM 453 N LYS A 34 3.514 14.652 3.730 1.00 0.00 N ATOM 454 CA LYS A 34 2.378 15.120 4.515 1.00 0.00 C ATOM 455 C LYS A 34 1.154 14.241 4.278 1.00 0.00 C ATOM 456 O LYS A 34 0.828 13.908 3.138 1.00 0.00 O ATOM 457 CB LYS A 34 2.052 16.573 4.161 1.00 0.00 C ATOM 458 CG LYS A 34 2.155 16.875 2.676 1.00 0.00 C ATOM 459 CD LYS A 34 1.196 17.979 2.264 1.00 0.00 C ATOM 460 CE LYS A 34 -0.156 17.417 1.852 1.00 0.00 C ATOM 461 NZ LYS A 34 -1.117 18.494 1.488 1.00 0.00 N ATOM 0 H LYS A 34 3.278 13.962 3.017 1.00 0.00 H new ATOM 0 HA LYS A 34 2.647 15.061 5.570 1.00 0.00 H new ATOM 0 HB2 LYS A 34 1.042 16.803 4.501 1.00 0.00 H new ATOM 0 HB3 LYS A 34 2.729 17.231 4.705 1.00 0.00 H new ATOM 0 HG2 LYS A 34 3.176 17.170 2.434 1.00 0.00 H new ATOM 0 HG3 LYS A 34 1.939 15.972 2.104 1.00 0.00 H new ATOM 0 HD2 LYS A 34 1.065 18.676 3.092 1.00 0.00 H new ATOM 0 HD3 LYS A 34 1.624 18.544 1.436 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -0.026 16.744 1.004 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -0.567 16.824 2.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -2.026 18.070 1.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -1.261 19.122 2.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -0.737 19.044 0.691 1.00 0.00 H new ATOM 475 N VAL A 35 0.479 13.870 5.361 1.00 0.00 N ATOM 476 CA VAL A 35 -0.711 13.032 5.271 1.00 0.00 C ATOM 477 C VAL A 35 -1.641 13.516 4.164 1.00 0.00 C ATOM 478 O VAL A 35 -2.028 14.683 4.131 1.00 0.00 O ATOM 479 CB VAL A 35 -1.484 13.009 6.603 1.00 0.00 C ATOM 480 CG1 VAL A 35 -1.737 14.425 7.097 1.00 0.00 C ATOM 481 CG2 VAL A 35 -2.791 12.248 6.446 1.00 0.00 C ATOM 0 H VAL A 35 0.736 14.137 6.311 1.00 0.00 H new ATOM 0 HA VAL A 35 -0.371 12.023 5.040 1.00 0.00 H new ATOM 0 HB VAL A 35 -0.877 12.493 7.348 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -2.284 14.389 8.039 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.785 14.933 7.250 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -2.324 14.969 6.357 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -3.325 12.241 7.396 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -3.406 12.733 5.688 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -2.581 11.223 6.141 1.00 0.00 H new ATOM 491 N ALA A 36 -1.996 12.610 3.259 1.00 0.00 N ATOM 492 CA ALA A 36 -2.883 12.944 2.151 1.00 0.00 C ATOM 493 C ALA A 36 -3.627 11.709 1.652 1.00 0.00 C ATOM 494 O ALA A 36 -3.181 10.575 1.824 1.00 0.00 O ATOM 495 CB ALA A 36 -2.095 13.582 1.017 1.00 0.00 C ATOM 0 H ALA A 36 -1.683 11.639 3.271 1.00 0.00 H new ATOM 0 HA ALA A 36 -3.621 13.660 2.512 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -2.770 13.826 0.197 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -1.615 14.493 1.375 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -1.334 12.885 0.665 1.00 0.00 H new ATOM 501 N PRO A 37 -4.788 11.933 1.019 1.00 0.00 N ATOM 502 CA PRO A 37 -5.618 10.850 0.482 1.00 0.00 C ATOM 503 C PRO A 37 -4.977 10.173 -0.724 1.00 0.00 C ATOM 504 O PRO A 37 -4.918 10.746 -1.812 1.00 0.00 O ATOM 505 CB PRO A 37 -6.909 11.562 0.073 1.00 0.00 C ATOM 506 CG PRO A 37 -6.499 12.971 -0.184 1.00 0.00 C ATOM 507 CD PRO A 37 -5.380 13.259 0.778 1.00 0.00 C ATOM 0 HA PRO A 37 -5.768 10.052 1.209 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -7.347 11.108 -0.816 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -7.659 11.506 0.862 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -6.170 13.100 -1.215 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -7.333 13.655 -0.028 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -4.654 13.952 0.354 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -5.748 13.708 1.700 1.00 0.00 H new ATOM 515 N VAL A 38 -4.499 8.948 -0.526 1.00 0.00 N ATOM 516 CA VAL A 38 -3.864 8.192 -1.598 1.00 0.00 C ATOM 517 C VAL A 38 -4.876 7.309 -2.322 1.00 0.00 C ATOM 518 O VAL A 38 -6.011 7.155 -1.873 1.00 0.00 O ATOM 519 CB VAL A 38 -2.721 7.310 -1.063 1.00 0.00 C ATOM 520 CG1 VAL A 38 -1.594 8.172 -0.514 1.00 0.00 C ATOM 521 CG2 VAL A 38 -3.238 6.355 0.001 1.00 0.00 C ATOM 0 H VAL A 38 -4.540 8.458 0.368 1.00 0.00 H new ATOM 0 HA VAL A 38 -3.454 8.920 -2.298 1.00 0.00 H new ATOM 0 HB VAL A 38 -2.326 6.718 -1.889 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -0.795 7.532 -0.140 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -1.206 8.811 -1.307 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -1.973 8.791 0.299 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -2.416 5.740 0.368 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -3.661 6.926 0.828 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -4.008 5.714 -0.429 1.00 0.00 H new ATOM 531 N GLU A 39 -4.455 6.733 -3.443 1.00 0.00 N ATOM 532 CA GLU A 39 -5.325 5.865 -4.228 1.00 0.00 C ATOM 533 C GLU A 39 -4.545 4.683 -4.796 1.00 0.00 C ATOM 534 O GLU A 39 -3.747 4.838 -5.720 1.00 0.00 O ATOM 535 CB GLU A 39 -5.976 6.654 -5.366 1.00 0.00 C ATOM 536 CG GLU A 39 -6.612 7.959 -4.916 1.00 0.00 C ATOM 537 CD GLU A 39 -7.794 8.359 -5.778 1.00 0.00 C ATOM 538 OE1 GLU A 39 -7.573 8.733 -6.949 1.00 0.00 O ATOM 539 OE2 GLU A 39 -8.938 8.299 -5.282 1.00 0.00 O ATOM 0 H GLU A 39 -3.518 6.851 -3.828 1.00 0.00 H new ATOM 0 HA GLU A 39 -6.104 5.481 -3.569 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -5.223 6.869 -6.125 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -6.737 6.033 -5.839 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -6.938 7.862 -3.881 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -5.864 8.751 -4.941 1.00 0.00 H new ATOM 546 N TRP A 40 -4.783 3.502 -4.236 1.00 0.00 N ATOM 547 CA TRP A 40 -4.103 2.292 -4.685 1.00 0.00 C ATOM 548 C TRP A 40 -4.721 1.768 -5.976 1.00 0.00 C ATOM 549 O TRP A 40 -5.944 1.697 -6.105 1.00 0.00 O ATOM 550 CB TRP A 40 -4.165 1.215 -3.601 1.00 0.00 C ATOM 551 CG TRP A 40 -3.662 1.683 -2.269 1.00 0.00 C ATOM 552 CD1 TRP A 40 -4.334 2.453 -1.363 1.00 0.00 C ATOM 553 CD2 TRP A 40 -2.378 1.413 -1.694 1.00 0.00 C ATOM 554 NE1 TRP A 40 -3.546 2.678 -0.260 1.00 0.00 N ATOM 555 CE2 TRP A 40 -2.342 2.050 -0.438 1.00 0.00 C ATOM 556 CE3 TRP A 40 -1.258 0.694 -2.117 1.00 0.00 C ATOM 557 CZ2 TRP A 40 -1.228 1.988 0.395 1.00 0.00 C ATOM 558 CZ3 TRP A 40 -0.153 0.634 -1.289 1.00 0.00 C ATOM 559 CH2 TRP A 40 -0.145 1.277 -0.044 1.00 0.00 C ATOM 0 H TRP A 40 -5.441 3.357 -3.471 1.00 0.00 H new ATOM 0 HA TRP A 40 -3.060 2.542 -4.879 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -5.196 0.877 -3.494 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -3.578 0.354 -3.921 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -5.338 2.830 -1.494 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -3.814 3.224 0.559 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -1.255 0.194 -3.074 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -1.219 2.484 1.354 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 0.719 0.082 -1.607 1.00 0.00 H new ATOM 0 HH2 TRP A 40 0.733 1.210 0.581 1.00 0.00 H new ATOM 570 N ARG A 41 -3.870 1.402 -6.929 1.00 0.00 N ATOM 571 CA ARG A 41 -4.334 0.885 -8.211 1.00 0.00 C ATOM 572 C ARG A 41 -3.445 -0.259 -8.690 1.00 0.00 C ATOM 573 O ARG A 41 -2.280 -0.357 -8.304 1.00 0.00 O ATOM 574 CB ARG A 41 -4.357 2.000 -9.257 1.00 0.00 C ATOM 575 CG ARG A 41 -5.631 2.828 -9.237 1.00 0.00 C ATOM 576 CD ARG A 41 -5.544 4.008 -10.193 1.00 0.00 C ATOM 577 NE ARG A 41 -5.984 3.655 -11.540 1.00 0.00 N ATOM 578 CZ ARG A 41 -7.259 3.501 -11.880 1.00 0.00 C ATOM 579 NH1 ARG A 41 -8.215 3.669 -10.976 1.00 0.00 N ATOM 580 NH2 ARG A 41 -7.581 3.179 -13.126 1.00 0.00 N ATOM 0 H ARG A 41 -2.855 1.454 -6.838 1.00 0.00 H new ATOM 0 HA ARG A 41 -5.346 0.503 -8.075 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -3.504 2.658 -9.093 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -4.235 1.560 -10.247 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -6.479 2.200 -9.509 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -5.815 3.191 -8.226 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -6.156 4.827 -9.815 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -4.516 4.369 -10.230 1.00 0.00 H new ATOM 0 HE ARG A 41 -5.274 3.519 -12.259 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -7.972 3.917 -10.017 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -9.193 3.550 -11.240 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -6.849 3.049 -13.825 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -8.560 3.061 -13.385 1.00 0.00 H new ATOM 594 N LYS A 42 -4.003 -1.122 -9.532 1.00 0.00 N ATOM 595 CA LYS A 42 -3.261 -2.259 -10.065 1.00 0.00 C ATOM 596 C LYS A 42 -3.385 -2.325 -11.584 1.00 0.00 C ATOM 597 O LYS A 42 -4.218 -3.058 -12.117 1.00 0.00 O ATOM 598 CB LYS A 42 -3.770 -3.562 -9.444 1.00 0.00 C ATOM 599 CG LYS A 42 -3.067 -4.801 -9.971 1.00 0.00 C ATOM 600 CD LYS A 42 -3.582 -6.062 -9.298 1.00 0.00 C ATOM 601 CE LYS A 42 -3.203 -7.308 -10.084 1.00 0.00 C ATOM 602 NZ LYS A 42 -4.059 -7.484 -11.290 1.00 0.00 N ATOM 0 H LYS A 42 -4.967 -1.056 -9.860 1.00 0.00 H new ATOM 0 HA LYS A 42 -2.210 -2.128 -9.809 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -3.642 -3.514 -8.363 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -4.839 -3.652 -9.635 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -3.217 -4.875 -11.048 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -1.994 -4.710 -9.804 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -3.175 -6.129 -8.289 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -4.666 -6.007 -9.201 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -2.158 -7.243 -10.387 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -3.295 -8.184 -9.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -4.223 -8.498 -11.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -4.970 -7.006 -11.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -3.582 -7.072 -12.117 1.00 0.00 H new ATOM 616 N GLY A 43 -2.550 -1.556 -12.276 1.00 0.00 N ATOM 617 CA GLY A 43 -2.582 -1.543 -13.727 1.00 0.00 C ATOM 618 C GLY A 43 -3.970 -1.273 -14.274 1.00 0.00 C ATOM 619 O GLY A 43 -4.558 -0.217 -14.040 1.00 0.00 O ATOM 0 H GLY A 43 -1.852 -0.942 -11.858 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -1.895 -0.781 -14.096 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -2.227 -2.502 -14.104 1.00 0.00 H new ATOM 623 N PRO A 44 -4.515 -2.244 -15.022 1.00 0.00 N ATOM 624 CA PRO A 44 -5.848 -2.129 -15.621 1.00 0.00 C ATOM 625 C PRO A 44 -6.958 -2.176 -14.576 1.00 0.00 C ATOM 626 O PRO A 44 -8.115 -1.881 -14.874 1.00 0.00 O ATOM 627 CB PRO A 44 -5.929 -3.347 -16.544 1.00 0.00 C ATOM 628 CG PRO A 44 -4.985 -4.335 -15.951 1.00 0.00 C ATOM 629 CD PRO A 44 -3.871 -3.529 -15.342 1.00 0.00 C ATOM 0 HA PRO A 44 -5.983 -1.178 -16.136 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -6.943 -3.745 -16.587 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -5.644 -3.090 -17.564 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -5.482 -4.946 -15.197 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -4.603 -5.016 -16.712 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -3.468 -4.010 -14.450 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -3.041 -3.401 -16.037 1.00 0.00 H new ATOM 637 N GLU A 45 -6.597 -2.550 -13.353 1.00 0.00 N ATOM 638 CA GLU A 45 -7.565 -2.636 -12.265 1.00 0.00 C ATOM 639 C GLU A 45 -7.577 -1.349 -11.445 1.00 0.00 C ATOM 640 O GLU A 45 -6.817 -0.421 -11.716 1.00 0.00 O ATOM 641 CB GLU A 45 -7.243 -3.827 -11.360 1.00 0.00 C ATOM 642 CG GLU A 45 -7.927 -5.116 -11.785 1.00 0.00 C ATOM 643 CD GLU A 45 -7.669 -6.259 -10.822 1.00 0.00 C ATOM 644 OE1 GLU A 45 -6.640 -6.949 -10.981 1.00 0.00 O ATOM 645 OE2 GLU A 45 -8.496 -6.462 -9.909 1.00 0.00 O ATOM 0 H GLU A 45 -5.643 -2.798 -13.090 1.00 0.00 H new ATOM 0 HA GLU A 45 -8.553 -2.777 -12.702 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -6.164 -3.984 -11.350 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -7.540 -3.588 -10.339 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -9.001 -4.945 -11.861 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -7.578 -5.397 -12.779 1.00 0.00 H new ATOM 652 N ASN A 46 -8.447 -1.303 -10.440 1.00 0.00 N ATOM 653 CA ASN A 46 -8.560 -0.130 -9.581 1.00 0.00 C ATOM 654 C ASN A 46 -8.901 -0.536 -8.150 1.00 0.00 C ATOM 655 O ASN A 46 -9.998 -1.022 -7.876 1.00 0.00 O ATOM 656 CB ASN A 46 -9.628 0.823 -10.121 1.00 0.00 C ATOM 657 CG ASN A 46 -10.740 0.092 -10.848 1.00 0.00 C ATOM 658 OD1 ASN A 46 -10.953 0.294 -12.044 1.00 0.00 O ATOM 659 ND2 ASN A 46 -11.457 -0.762 -10.127 1.00 0.00 N ATOM 0 H ASN A 46 -9.083 -2.064 -10.201 1.00 0.00 H new ATOM 0 HA ASN A 46 -7.597 0.381 -9.576 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -10.052 1.395 -9.295 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -9.163 1.539 -10.799 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -12.219 -1.282 -10.562 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -11.245 -0.898 -9.139 1.00 0.00 H new ATOM 666 N LEU A 47 -7.953 -0.331 -7.242 1.00 0.00 N ATOM 667 CA LEU A 47 -8.153 -0.674 -5.838 1.00 0.00 C ATOM 668 C LEU A 47 -8.746 0.502 -5.069 1.00 0.00 C ATOM 669 O LEU A 47 -8.652 1.651 -5.502 1.00 0.00 O ATOM 670 CB LEU A 47 -6.827 -1.097 -5.203 1.00 0.00 C ATOM 671 CG LEU A 47 -5.903 -1.945 -6.078 1.00 0.00 C ATOM 672 CD1 LEU A 47 -4.642 -2.320 -5.316 1.00 0.00 C ATOM 673 CD2 LEU A 47 -6.626 -3.192 -6.564 1.00 0.00 C ATOM 0 H LEU A 47 -7.039 0.071 -7.452 1.00 0.00 H new ATOM 0 HA LEU A 47 -8.855 -1.507 -5.789 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -6.287 -0.198 -4.904 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -7.045 -1.655 -4.293 1.00 0.00 H new ATOM 0 HG LEU A 47 -5.615 -1.355 -6.948 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -3.997 -2.923 -5.955 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -4.114 -1.414 -5.019 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -4.910 -2.892 -4.428 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -5.954 -3.784 -7.185 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -6.944 -3.785 -5.707 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -7.499 -2.902 -7.149 1.00 0.00 H new ATOM 685 N ARG A 48 -9.356 0.207 -3.925 1.00 0.00 N ATOM 686 CA ARG A 48 -9.963 1.240 -3.095 1.00 0.00 C ATOM 687 C ARG A 48 -10.329 0.688 -1.721 1.00 0.00 C ATOM 688 O ARG A 48 -10.493 -0.520 -1.550 1.00 0.00 O ATOM 689 CB ARG A 48 -11.210 1.805 -3.778 1.00 0.00 C ATOM 690 CG ARG A 48 -12.297 0.770 -4.016 1.00 0.00 C ATOM 691 CD ARG A 48 -13.618 1.424 -4.386 1.00 0.00 C ATOM 692 NE ARG A 48 -14.762 0.593 -4.020 1.00 0.00 N ATOM 693 CZ ARG A 48 -16.025 0.947 -4.230 1.00 0.00 C ATOM 694 NH1 ARG A 48 -16.305 2.110 -4.801 1.00 0.00 N ATOM 695 NH2 ARG A 48 -17.012 0.136 -3.869 1.00 0.00 N ATOM 0 H ARG A 48 -9.443 -0.739 -3.552 1.00 0.00 H new ATOM 0 HA ARG A 48 -9.235 2.040 -2.964 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -11.615 2.611 -3.166 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -10.923 2.244 -4.733 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -11.989 0.094 -4.813 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -12.428 0.166 -3.118 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -13.697 2.390 -3.886 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -13.639 1.617 -5.459 1.00 0.00 H new ATOM 0 HE ARG A 48 -14.581 -0.309 -3.579 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -15.550 2.736 -5.080 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -17.276 2.379 -4.961 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -16.801 -0.760 -3.430 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -17.981 0.409 -4.031 1.00 0.00 H new ATOM 709 N ASP A 49 -10.456 1.580 -0.745 1.00 0.00 N ATOM 710 CA ASP A 49 -10.803 1.182 0.615 1.00 0.00 C ATOM 711 C ASP A 49 -12.156 0.478 0.646 1.00 0.00 C ATOM 712 O ASP A 49 -13.203 1.120 0.570 1.00 0.00 O ATOM 713 CB ASP A 49 -10.828 2.403 1.536 1.00 0.00 C ATOM 714 CG ASP A 49 -11.987 3.332 1.234 1.00 0.00 C ATOM 715 OD1 ASP A 49 -11.905 4.079 0.237 1.00 0.00 O ATOM 716 OD2 ASP A 49 -12.977 3.314 1.996 1.00 0.00 O ATOM 0 H ASP A 49 -10.324 2.584 -0.870 1.00 0.00 H new ATOM 0 HA ASP A 49 -10.043 0.486 0.969 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -10.892 2.071 2.572 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -9.891 2.951 1.434 1.00 0.00 H new ATOM 721 N GLY A 50 -12.126 -0.846 0.758 1.00 0.00 N ATOM 722 CA GLY A 50 -13.357 -1.615 0.796 1.00 0.00 C ATOM 723 C GLY A 50 -13.280 -2.784 1.758 1.00 0.00 C ATOM 724 O GLY A 50 -12.429 -2.811 2.647 1.00 0.00 O ATOM 0 H GLY A 50 -11.272 -1.400 0.823 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -14.181 -0.963 1.087 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -13.582 -1.986 -0.204 1.00 0.00 H new ATOM 728 N ASP A 51 -14.172 -3.753 1.581 1.00 0.00 N ATOM 729 CA ASP A 51 -14.202 -4.930 2.441 1.00 0.00 C ATOM 730 C ASP A 51 -12.985 -5.816 2.193 1.00 0.00 C ATOM 731 O ASP A 51 -12.133 -5.975 3.067 1.00 0.00 O ATOM 732 CB ASP A 51 -15.486 -5.728 2.205 1.00 0.00 C ATOM 733 CG ASP A 51 -16.634 -5.245 3.069 1.00 0.00 C ATOM 734 OD1 ASP A 51 -16.537 -5.370 4.308 1.00 0.00 O ATOM 735 OD2 ASP A 51 -17.630 -4.744 2.507 1.00 0.00 O ATOM 0 H ASP A 51 -14.883 -3.746 0.850 1.00 0.00 H new ATOM 0 HA ASP A 51 -14.178 -4.593 3.477 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -15.769 -5.654 1.155 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -15.299 -6.782 2.411 1.00 0.00 H new ATOM 740 N ARG A 52 -12.912 -6.391 0.997 1.00 0.00 N ATOM 741 CA ARG A 52 -11.801 -7.262 0.635 1.00 0.00 C ATOM 742 C ARG A 52 -10.471 -6.524 0.749 1.00 0.00 C ATOM 743 O ARG A 52 -9.437 -7.127 1.040 1.00 0.00 O ATOM 744 CB ARG A 52 -11.982 -7.790 -0.790 1.00 0.00 C ATOM 745 CG ARG A 52 -12.210 -6.697 -1.820 1.00 0.00 C ATOM 746 CD ARG A 52 -13.048 -7.196 -2.987 1.00 0.00 C ATOM 747 NE ARG A 52 -14.454 -7.349 -2.624 1.00 0.00 N ATOM 748 CZ ARG A 52 -15.293 -6.329 -2.485 1.00 0.00 C ATOM 749 NH1 ARG A 52 -14.869 -5.087 -2.676 1.00 0.00 N ATOM 750 NH2 ARG A 52 -16.559 -6.549 -2.153 1.00 0.00 N ATOM 0 H ARG A 52 -13.609 -6.269 0.263 1.00 0.00 H new ATOM 0 HA ARG A 52 -11.791 -8.103 1.329 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -11.099 -8.363 -1.071 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -12.828 -8.477 -0.809 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -12.709 -5.850 -1.349 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -11.249 -6.337 -2.188 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -12.962 -6.498 -3.820 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -12.656 -8.153 -3.332 1.00 0.00 H new ATOM 0 HE ARG A 52 -14.812 -8.292 -2.469 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -13.897 -4.914 -2.930 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -15.515 -4.305 -2.569 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -16.889 -7.503 -2.004 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -17.202 -5.764 -2.047 1.00 0.00 H new ATOM 764 N TYR A 53 -10.505 -5.216 0.519 1.00 0.00 N ATOM 765 CA TYR A 53 -9.302 -4.396 0.593 1.00 0.00 C ATOM 766 C TYR A 53 -9.297 -3.550 1.863 1.00 0.00 C ATOM 767 O TYR A 53 -9.983 -2.531 1.946 1.00 0.00 O ATOM 768 CB TYR A 53 -9.199 -3.491 -0.636 1.00 0.00 C ATOM 769 CG TYR A 53 -8.918 -4.241 -1.918 1.00 0.00 C ATOM 770 CD1 TYR A 53 -7.646 -4.726 -2.198 1.00 0.00 C ATOM 771 CD2 TYR A 53 -9.924 -4.464 -2.851 1.00 0.00 C ATOM 772 CE1 TYR A 53 -7.384 -5.411 -3.369 1.00 0.00 C ATOM 773 CE2 TYR A 53 -9.671 -5.150 -4.023 1.00 0.00 C ATOM 774 CZ TYR A 53 -8.400 -5.621 -4.278 1.00 0.00 C ATOM 775 OH TYR A 53 -8.144 -6.303 -5.445 1.00 0.00 O ATOM 0 H TYR A 53 -11.352 -4.701 0.280 1.00 0.00 H new ATOM 0 HA TYR A 53 -8.440 -5.063 0.618 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -10.130 -2.935 -0.747 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -8.408 -2.759 -0.472 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -6.848 -4.565 -1.488 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -10.920 -4.095 -2.656 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -6.389 -5.780 -3.571 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -10.465 -5.317 -4.736 1.00 0.00 H new ATOM 0 HH TYR A 53 -8.966 -6.366 -5.974 1.00 0.00 H new ATOM 785 N ILE A 54 -8.517 -3.980 2.849 1.00 0.00 N ATOM 786 CA ILE A 54 -8.420 -3.262 4.114 1.00 0.00 C ATOM 787 C ILE A 54 -7.375 -2.154 4.039 1.00 0.00 C ATOM 788 O ILE A 54 -6.184 -2.395 4.240 1.00 0.00 O ATOM 789 CB ILE A 54 -8.064 -4.211 5.274 1.00 0.00 C ATOM 790 CG1 ILE A 54 -9.149 -5.277 5.441 1.00 0.00 C ATOM 791 CG2 ILE A 54 -7.881 -3.425 6.564 1.00 0.00 C ATOM 792 CD1 ILE A 54 -8.712 -6.457 6.280 1.00 0.00 C ATOM 0 H ILE A 54 -7.943 -4.822 2.796 1.00 0.00 H new ATOM 0 HA ILE A 54 -9.399 -2.822 4.303 1.00 0.00 H new ATOM 0 HB ILE A 54 -7.124 -4.711 5.040 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -10.027 -4.821 5.899 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -9.451 -5.634 4.456 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -7.630 -4.109 7.374 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -7.076 -2.701 6.438 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -8.806 -2.901 6.805 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -9.531 -7.173 6.356 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -7.852 -6.937 5.813 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -8.437 -6.113 7.277 1.00 0.00 H new ATOM 804 N LEU A 55 -7.829 -0.939 3.751 1.00 0.00 N ATOM 805 CA LEU A 55 -6.933 0.208 3.651 1.00 0.00 C ATOM 806 C LEU A 55 -6.911 0.996 4.957 1.00 0.00 C ATOM 807 O LEU A 55 -7.909 1.053 5.676 1.00 0.00 O ATOM 808 CB LEU A 55 -7.365 1.118 2.500 1.00 0.00 C ATOM 809 CG LEU A 55 -7.063 0.607 1.091 1.00 0.00 C ATOM 810 CD1 LEU A 55 -7.917 -0.609 0.769 1.00 0.00 C ATOM 811 CD2 LEU A 55 -7.289 1.708 0.065 1.00 0.00 C ATOM 0 H LEU A 55 -8.812 -0.723 3.583 1.00 0.00 H new ATOM 0 HA LEU A 55 -5.927 -0.163 3.455 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -8.439 1.288 2.581 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -6.879 2.085 2.626 1.00 0.00 H new ATOM 0 HG LEU A 55 -6.015 0.309 1.050 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -7.688 -0.958 -0.238 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -7.705 -1.403 1.485 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -8.971 -0.339 0.828 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -7.069 1.327 -0.932 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -8.327 2.037 0.107 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -6.632 2.550 0.284 1.00 0.00 H new ATOM 823 N ARG A 56 -5.768 1.605 5.255 1.00 0.00 N ATOM 824 CA ARG A 56 -5.616 2.391 6.474 1.00 0.00 C ATOM 825 C ARG A 56 -4.634 3.539 6.261 1.00 0.00 C ATOM 826 O ARG A 56 -3.854 3.532 5.310 1.00 0.00 O ATOM 827 CB ARG A 56 -5.138 1.502 7.623 1.00 0.00 C ATOM 828 CG ARG A 56 -6.210 0.565 8.156 1.00 0.00 C ATOM 829 CD ARG A 56 -5.633 -0.437 9.144 1.00 0.00 C ATOM 830 NE ARG A 56 -6.645 -0.934 10.072 1.00 0.00 N ATOM 831 CZ ARG A 56 -6.364 -1.678 11.136 1.00 0.00 C ATOM 832 NH1 ARG A 56 -5.109 -2.009 11.405 1.00 0.00 N ATOM 833 NH2 ARG A 56 -7.340 -2.094 11.933 1.00 0.00 N ATOM 0 H ARG A 56 -4.934 1.569 4.669 1.00 0.00 H new ATOM 0 HA ARG A 56 -6.589 2.811 6.730 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -4.287 0.911 7.284 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -4.783 2.134 8.437 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -6.994 1.146 8.641 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -6.675 0.033 7.326 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -5.198 -1.275 8.599 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -4.825 0.032 9.706 1.00 0.00 H new ATOM 0 HE ARG A 56 -7.621 -0.697 9.893 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -4.356 -1.692 10.794 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -4.896 -2.580 12.223 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -8.307 -1.843 11.729 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -7.123 -2.665 12.750 1.00 0.00 H new ATOM 847 N GLN A 57 -4.679 4.522 7.154 1.00 0.00 N ATOM 848 CA GLN A 57 -3.794 5.677 7.063 1.00 0.00 C ATOM 849 C GLN A 57 -3.574 6.304 8.436 1.00 0.00 C ATOM 850 O GLN A 57 -4.493 6.874 9.022 1.00 0.00 O ATOM 851 CB GLN A 57 -4.374 6.716 6.102 1.00 0.00 C ATOM 852 CG GLN A 57 -3.410 7.846 5.773 1.00 0.00 C ATOM 853 CD GLN A 57 -4.004 8.858 4.813 1.00 0.00 C ATOM 854 OE1 GLN A 57 -5.218 8.904 4.614 1.00 0.00 O ATOM 855 NE2 GLN A 57 -3.148 9.677 4.212 1.00 0.00 N ATOM 0 H GLN A 57 -5.318 4.542 7.948 1.00 0.00 H new ATOM 0 HA GLN A 57 -2.832 5.336 6.681 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -4.668 6.219 5.177 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -5.279 7.137 6.539 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -3.120 8.351 6.694 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -2.501 7.429 5.339 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -2.149 9.603 4.407 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -3.489 10.379 3.556 1.00 0.00 H new ATOM 864 N GLU A 58 -2.349 6.194 8.942 1.00 0.00 N ATOM 865 CA GLU A 58 -2.010 6.750 10.246 1.00 0.00 C ATOM 866 C GLU A 58 -1.277 8.080 10.098 1.00 0.00 C ATOM 867 O GLU A 58 -0.390 8.404 10.886 1.00 0.00 O ATOM 868 CB GLU A 58 -1.146 5.764 11.036 1.00 0.00 C ATOM 869 CG GLU A 58 -1.849 4.455 11.351 1.00 0.00 C ATOM 870 CD GLU A 58 -3.282 4.656 11.804 1.00 0.00 C ATOM 871 OE1 GLU A 58 -3.498 4.843 13.020 1.00 0.00 O ATOM 872 OE2 GLU A 58 -4.186 4.627 10.944 1.00 0.00 O ATOM 0 H GLU A 58 -1.576 5.725 8.469 1.00 0.00 H new ATOM 0 HA GLU A 58 -2.938 6.926 10.789 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -0.240 5.552 10.468 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -0.835 6.233 11.969 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -1.838 3.819 10.466 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -1.296 3.928 12.129 1.00 0.00 H new ATOM 879 N GLY A 59 -1.655 8.847 9.079 1.00 0.00 N ATOM 880 CA GLY A 59 -1.024 10.132 8.844 1.00 0.00 C ATOM 881 C GLY A 59 -0.231 10.161 7.552 1.00 0.00 C ATOM 882 O GLY A 59 -0.788 9.983 6.468 1.00 0.00 O ATOM 0 H GLY A 59 -2.387 8.601 8.413 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -1.788 10.909 8.815 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -0.363 10.366 9.678 1.00 0.00 H new ATOM 886 N THR A 60 1.074 10.389 7.665 1.00 0.00 N ATOM 887 CA THR A 60 1.944 10.444 6.497 1.00 0.00 C ATOM 888 C THR A 60 2.256 9.045 5.978 1.00 0.00 C ATOM 889 O THR A 60 2.786 8.885 4.878 1.00 0.00 O ATOM 890 CB THR A 60 3.266 11.167 6.815 1.00 0.00 C ATOM 891 OG1 THR A 60 3.808 10.679 8.047 1.00 0.00 O ATOM 892 CG2 THR A 60 3.051 12.670 6.911 1.00 0.00 C ATOM 0 H THR A 60 1.551 10.539 8.554 1.00 0.00 H new ATOM 0 HA THR A 60 1.408 11.003 5.730 1.00 0.00 H new ATOM 0 HB THR A 60 3.967 10.966 6.005 1.00 0.00 H new ATOM 0 HG1 THR A 60 4.649 11.143 8.241 1.00 0.00 H new ATOM 0 HG21 THR A 60 3.999 13.159 7.136 1.00 0.00 H new ATOM 0 HG22 THR A 60 2.666 13.044 5.962 1.00 0.00 H new ATOM 0 HG23 THR A 60 2.334 12.885 7.703 1.00 0.00 H new ATOM 900 N ARG A 61 1.922 8.035 6.774 1.00 0.00 N ATOM 901 CA ARG A 61 2.168 6.649 6.394 1.00 0.00 C ATOM 902 C ARG A 61 0.857 5.926 6.097 1.00 0.00 C ATOM 903 O ARG A 61 -0.098 6.009 6.870 1.00 0.00 O ATOM 904 CB ARG A 61 2.924 5.919 7.506 1.00 0.00 C ATOM 905 CG ARG A 61 3.218 4.462 7.188 1.00 0.00 C ATOM 906 CD ARG A 61 3.296 3.620 8.452 1.00 0.00 C ATOM 907 NE ARG A 61 3.413 2.195 8.154 1.00 0.00 N ATOM 908 CZ ARG A 61 3.893 1.302 9.013 1.00 0.00 C ATOM 909 NH1 ARG A 61 4.299 1.685 10.215 1.00 0.00 N ATOM 910 NH2 ARG A 61 3.967 0.023 8.668 1.00 0.00 N ATOM 0 H ARG A 61 1.480 8.150 7.686 1.00 0.00 H new ATOM 0 HA ARG A 61 2.777 6.649 5.490 1.00 0.00 H new ATOM 0 HB2 ARG A 61 3.864 6.437 7.696 1.00 0.00 H new ATOM 0 HB3 ARG A 61 2.340 5.971 8.425 1.00 0.00 H new ATOM 0 HG2 ARG A 61 2.440 4.067 6.534 1.00 0.00 H new ATOM 0 HG3 ARG A 61 4.159 4.390 6.643 1.00 0.00 H new ATOM 0 HD2 ARG A 61 4.152 3.937 9.047 1.00 0.00 H new ATOM 0 HD3 ARG A 61 2.406 3.792 9.058 1.00 0.00 H new ATOM 0 HE ARG A 61 3.110 1.868 7.237 1.00 0.00 H new ATOM 0 HH11 ARG A 61 4.243 2.668 10.483 1.00 0.00 H new ATOM 0 HH12 ARG A 61 4.667 0.997 10.872 1.00 0.00 H new ATOM 0 HH21 ARG A 61 3.655 -0.275 7.743 1.00 0.00 H new ATOM 0 HH22 ARG A 61 4.335 -0.663 9.327 1.00 0.00 H new ATOM 924 N CYS A 62 0.819 5.220 4.972 1.00 0.00 N ATOM 925 CA CYS A 62 -0.375 4.485 4.571 1.00 0.00 C ATOM 926 C CYS A 62 -0.139 2.980 4.651 1.00 0.00 C ATOM 927 O CYS A 62 0.990 2.512 4.512 1.00 0.00 O ATOM 928 CB CYS A 62 -0.787 4.874 3.151 1.00 0.00 C ATOM 929 SG CYS A 62 -0.999 6.652 2.905 1.00 0.00 S ATOM 0 H CYS A 62 1.601 5.141 4.322 1.00 0.00 H new ATOM 0 HA CYS A 62 -1.180 4.746 5.258 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -0.034 4.509 2.453 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -1.721 4.370 2.904 1.00 0.00 H new ATOM 0 HG CYS A 62 -2.220 6.896 2.531 1.00 0.00 H new ATOM 935 N GLU A 63 -1.212 2.229 4.879 1.00 0.00 N ATOM 936 CA GLU A 63 -1.120 0.777 4.980 1.00 0.00 C ATOM 937 C GLU A 63 -2.266 0.105 4.229 1.00 0.00 C ATOM 938 O GLU A 63 -3.439 0.359 4.508 1.00 0.00 O ATOM 939 CB GLU A 63 -1.133 0.344 6.447 1.00 0.00 C ATOM 940 CG GLU A 63 -0.067 1.021 7.291 1.00 0.00 C ATOM 941 CD GLU A 63 -0.546 2.324 7.901 1.00 0.00 C ATOM 942 OE1 GLU A 63 -0.392 3.376 7.247 1.00 0.00 O ATOM 943 OE2 GLU A 63 -1.074 2.291 9.033 1.00 0.00 O ATOM 0 H GLU A 63 -2.154 2.602 4.997 1.00 0.00 H new ATOM 0 HA GLU A 63 -0.180 0.466 4.525 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -2.113 0.561 6.872 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -0.994 -0.736 6.500 1.00 0.00 H new ATOM 0 HG2 GLU A 63 0.245 0.345 8.087 1.00 0.00 H new ATOM 0 HG3 GLU A 63 0.811 1.214 6.674 1.00 0.00 H new ATOM 950 N LEU A 64 -1.919 -0.751 3.275 1.00 0.00 N ATOM 951 CA LEU A 64 -2.918 -1.460 2.483 1.00 0.00 C ATOM 952 C LEU A 64 -2.831 -2.965 2.716 1.00 0.00 C ATOM 953 O LEU A 64 -1.747 -3.546 2.676 1.00 0.00 O ATOM 954 CB LEU A 64 -2.732 -1.151 0.996 1.00 0.00 C ATOM 955 CG LEU A 64 -3.215 -2.226 0.021 1.00 0.00 C ATOM 956 CD1 LEU A 64 -4.727 -2.367 0.090 1.00 0.00 C ATOM 957 CD2 LEU A 64 -2.771 -1.898 -1.397 1.00 0.00 C ATOM 0 H LEU A 64 -0.953 -0.971 3.031 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.904 -1.119 2.798 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -3.256 -0.222 0.770 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -1.673 -0.972 0.812 1.00 0.00 H new ATOM 0 HG LEU A 64 -2.769 -3.178 0.308 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -5.053 -3.136 -0.610 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -5.020 -2.649 1.101 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -5.193 -1.417 -0.171 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -3.123 -2.673 -2.077 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.188 -0.936 -1.696 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -1.683 -1.849 -1.435 1.00 0.00 H new ATOM 969 N GLN A 65 -3.980 -3.588 2.957 1.00 0.00 N ATOM 970 CA GLN A 65 -4.032 -5.026 3.195 1.00 0.00 C ATOM 971 C GLN A 65 -4.983 -5.705 2.215 1.00 0.00 C ATOM 972 O GLN A 65 -6.195 -5.490 2.261 1.00 0.00 O ATOM 973 CB GLN A 65 -4.473 -5.311 4.632 1.00 0.00 C ATOM 974 CG GLN A 65 -3.317 -5.406 5.615 1.00 0.00 C ATOM 975 CD GLN A 65 -3.725 -5.050 7.031 1.00 0.00 C ATOM 976 OE1 GLN A 65 -4.369 -4.027 7.265 1.00 0.00 O ATOM 977 NE2 GLN A 65 -3.350 -5.894 7.986 1.00 0.00 N ATOM 0 H GLN A 65 -4.886 -3.121 2.993 1.00 0.00 H new ATOM 0 HA GLN A 65 -3.031 -5.431 3.043 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -5.152 -4.523 4.958 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -5.034 -6.245 4.653 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -2.915 -6.419 5.601 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -2.516 -4.740 5.293 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -2.817 -6.730 7.747 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -3.595 -5.706 8.958 1.00 0.00 H new ATOM 986 N ILE A 66 -4.426 -6.526 1.331 1.00 0.00 N ATOM 987 CA ILE A 66 -5.225 -7.237 0.341 1.00 0.00 C ATOM 988 C ILE A 66 -5.702 -8.581 0.881 1.00 0.00 C ATOM 989 O ILE A 66 -4.957 -9.562 0.879 1.00 0.00 O ATOM 990 CB ILE A 66 -4.433 -7.471 -0.959 1.00 0.00 C ATOM 991 CG1 ILE A 66 -3.846 -6.153 -1.469 1.00 0.00 C ATOM 992 CG2 ILE A 66 -5.326 -8.104 -2.017 1.00 0.00 C ATOM 993 CD1 ILE A 66 -2.574 -6.327 -2.268 1.00 0.00 C ATOM 0 H ILE A 66 -3.425 -6.715 1.280 1.00 0.00 H new ATOM 0 HA ILE A 66 -6.089 -6.609 0.123 1.00 0.00 H new ATOM 0 HB ILE A 66 -3.611 -8.155 -0.748 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -4.588 -5.650 -2.088 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -3.645 -5.501 -0.619 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -4.752 -8.263 -2.930 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -5.700 -9.061 -1.652 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -6.166 -7.442 -2.227 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -2.215 -5.352 -2.597 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -1.816 -6.802 -1.646 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -2.773 -6.953 -3.138 1.00 0.00 H new ATOM 1005 N CYS A 67 -6.947 -8.619 1.342 1.00 0.00 N ATOM 1006 CA CYS A 67 -7.525 -9.843 1.885 1.00 0.00 C ATOM 1007 C CYS A 67 -7.800 -10.853 0.776 1.00 0.00 C ATOM 1008 O CYS A 67 -8.546 -10.573 -0.162 1.00 0.00 O ATOM 1009 CB CYS A 67 -8.818 -9.531 2.640 1.00 0.00 C ATOM 1010 SG CYS A 67 -9.253 -10.756 3.897 1.00 0.00 S ATOM 0 H CYS A 67 -7.576 -7.816 1.351 1.00 0.00 H new ATOM 0 HA CYS A 67 -6.805 -10.279 2.578 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -8.721 -8.556 3.117 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -9.636 -9.456 1.923 1.00 0.00 H new ATOM 0 HG CYS A 67 -10.359 -10.404 4.482 1.00 0.00 H new ATOM 1016 N GLY A 68 -7.191 -12.030 0.889 1.00 0.00 N ATOM 1017 CA GLY A 68 -7.382 -13.063 -0.112 1.00 0.00 C ATOM 1018 C GLY A 68 -6.384 -12.960 -1.249 1.00 0.00 C ATOM 1019 O GLY A 68 -6.743 -12.593 -2.369 1.00 0.00 O ATOM 0 H GLY A 68 -6.569 -12.286 1.656 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -7.292 -14.042 0.359 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -8.393 -12.994 -0.513 1.00 0.00 H new ATOM 1023 N LEU A 69 -5.128 -13.283 -0.962 1.00 0.00 N ATOM 1024 CA LEU A 69 -4.074 -13.224 -1.969 1.00 0.00 C ATOM 1025 C LEU A 69 -4.189 -14.390 -2.947 1.00 0.00 C ATOM 1026 O LEU A 69 -4.718 -15.447 -2.607 1.00 0.00 O ATOM 1027 CB LEU A 69 -2.699 -13.240 -1.298 1.00 0.00 C ATOM 1028 CG LEU A 69 -2.191 -11.895 -0.779 1.00 0.00 C ATOM 1029 CD1 LEU A 69 -0.934 -12.086 0.056 1.00 0.00 C ATOM 1030 CD2 LEU A 69 -1.925 -10.942 -1.936 1.00 0.00 C ATOM 0 H LEU A 69 -4.814 -13.588 -0.041 1.00 0.00 H new ATOM 0 HA LEU A 69 -4.189 -12.294 -2.526 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.732 -13.940 -0.463 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.973 -13.629 -2.012 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.962 -11.458 -0.144 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.587 -11.118 0.417 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.156 -12.732 0.906 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.157 -12.545 -0.555 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -1.564 -9.990 -1.547 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.173 -11.373 -2.597 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.848 -10.780 -2.493 1.00 0.00 H new ATOM 1042 N ALA A 70 -3.687 -14.188 -4.161 1.00 0.00 N ATOM 1043 CA ALA A 70 -3.729 -15.224 -5.186 1.00 0.00 C ATOM 1044 C ALA A 70 -2.744 -14.923 -6.310 1.00 0.00 C ATOM 1045 O ALA A 70 -2.397 -13.767 -6.552 1.00 0.00 O ATOM 1046 CB ALA A 70 -5.140 -15.360 -5.740 1.00 0.00 C ATOM 0 H ALA A 70 -3.247 -13.317 -4.459 1.00 0.00 H new ATOM 0 HA ALA A 70 -3.438 -16.169 -4.726 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -5.157 -16.137 -6.504 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -5.823 -15.629 -4.934 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -5.452 -14.412 -6.179 1.00 0.00 H new ATOM 1052 N MET A 71 -2.296 -15.971 -6.994 1.00 0.00 N ATOM 1053 CA MET A 71 -1.351 -15.818 -8.094 1.00 0.00 C ATOM 1054 C MET A 71 -1.621 -14.532 -8.868 1.00 0.00 C ATOM 1055 O MET A 71 -0.692 -13.841 -9.285 1.00 0.00 O ATOM 1056 CB MET A 71 -1.432 -17.021 -9.036 1.00 0.00 C ATOM 1057 CG MET A 71 -0.960 -18.320 -8.404 1.00 0.00 C ATOM 1058 SD MET A 71 0.824 -18.547 -8.533 1.00 0.00 S ATOM 1059 CE MET A 71 1.341 -18.115 -6.873 1.00 0.00 C ATOM 0 H MET A 71 -2.572 -16.935 -6.806 1.00 0.00 H new ATOM 0 HA MET A 71 -0.347 -15.763 -7.672 1.00 0.00 H new ATOM 0 HB2 MET A 71 -2.463 -17.142 -9.370 1.00 0.00 H new ATOM 0 HB3 MET A 71 -0.832 -16.819 -9.923 1.00 0.00 H new ATOM 0 HG2 MET A 71 -1.249 -18.334 -7.353 1.00 0.00 H new ATOM 0 HG3 MET A 71 -1.465 -19.158 -8.885 1.00 0.00 H new ATOM 0 HE1 MET A 71 2.381 -18.407 -6.728 1.00 0.00 H new ATOM 0 HE2 MET A 71 1.243 -17.039 -6.730 1.00 0.00 H new ATOM 0 HE3 MET A 71 0.714 -18.636 -6.149 1.00 0.00 H new ATOM 1069 N ALA A 72 -2.898 -14.218 -9.058 1.00 0.00 N ATOM 1070 CA ALA A 72 -3.289 -13.014 -9.780 1.00 0.00 C ATOM 1071 C ALA A 72 -2.799 -11.760 -9.065 1.00 0.00 C ATOM 1072 O ALA A 72 -2.238 -10.858 -9.687 1.00 0.00 O ATOM 1073 CB ALA A 72 -4.801 -12.969 -9.951 1.00 0.00 C ATOM 0 H ALA A 72 -3.679 -14.781 -8.722 1.00 0.00 H new ATOM 0 HA ALA A 72 -2.823 -13.044 -10.765 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -5.079 -12.064 -10.492 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -5.130 -13.843 -10.513 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -5.278 -12.967 -8.971 1.00 0.00 H new ATOM 1079 N ASP A 73 -3.014 -11.710 -7.755 1.00 0.00 N ATOM 1080 CA ASP A 73 -2.593 -10.566 -6.954 1.00 0.00 C ATOM 1081 C ASP A 73 -1.177 -10.135 -7.324 1.00 0.00 C ATOM 1082 O ASP A 73 -0.873 -8.944 -7.374 1.00 0.00 O ATOM 1083 CB ASP A 73 -2.664 -10.905 -5.465 1.00 0.00 C ATOM 1084 CG ASP A 73 -4.089 -11.062 -4.974 1.00 0.00 C ATOM 1085 OD1 ASP A 73 -4.870 -11.775 -5.638 1.00 0.00 O ATOM 1086 OD2 ASP A 73 -4.425 -10.472 -3.926 1.00 0.00 O ATOM 0 H ASP A 73 -3.477 -12.448 -7.225 1.00 0.00 H new ATOM 0 HA ASP A 73 -3.271 -9.739 -7.163 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -2.115 -11.828 -5.279 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -2.170 -10.120 -4.893 1.00 0.00 H new ATOM 1091 N ALA A 74 -0.315 -11.113 -7.581 1.00 0.00 N ATOM 1092 CA ALA A 74 1.069 -10.836 -7.947 1.00 0.00 C ATOM 1093 C ALA A 74 1.144 -10.059 -9.258 1.00 0.00 C ATOM 1094 O ALA A 74 0.794 -10.576 -10.318 1.00 0.00 O ATOM 1095 CB ALA A 74 1.857 -12.133 -8.054 1.00 0.00 C ATOM 0 H ALA A 74 -0.551 -12.105 -7.543 1.00 0.00 H new ATOM 0 HA ALA A 74 1.510 -10.220 -7.163 1.00 0.00 H new ATOM 0 HB1 ALA A 74 2.888 -11.911 -8.328 1.00 0.00 H new ATOM 0 HB2 ALA A 74 1.840 -12.649 -7.094 1.00 0.00 H new ATOM 0 HB3 ALA A 74 1.408 -12.769 -8.817 1.00 0.00 H new ATOM 1101 N GLY A 75 1.604 -8.814 -9.177 1.00 0.00 N ATOM 1102 CA GLY A 75 1.716 -7.986 -10.363 1.00 0.00 C ATOM 1103 C GLY A 75 2.454 -6.689 -10.098 1.00 0.00 C ATOM 1104 O GLY A 75 3.581 -6.699 -9.604 1.00 0.00 O ATOM 0 H GLY A 75 1.901 -8.364 -8.311 1.00 0.00 H new ATOM 0 HA2 GLY A 75 2.235 -8.543 -11.143 1.00 0.00 H new ATOM 0 HA3 GLY A 75 0.719 -7.762 -10.741 1.00 0.00 H new ATOM 1108 N GLU A 76 1.818 -5.569 -10.427 1.00 0.00 N ATOM 1109 CA GLU A 76 2.423 -4.259 -10.223 1.00 0.00 C ATOM 1110 C GLU A 76 1.418 -3.283 -9.619 1.00 0.00 C ATOM 1111 O GLU A 76 0.514 -2.803 -10.303 1.00 0.00 O ATOM 1112 CB GLU A 76 2.955 -3.706 -11.547 1.00 0.00 C ATOM 1113 CG GLU A 76 3.317 -2.231 -11.490 1.00 0.00 C ATOM 1114 CD GLU A 76 4.073 -1.768 -12.720 1.00 0.00 C ATOM 1115 OE1 GLU A 76 5.294 -2.018 -12.796 1.00 0.00 O ATOM 1116 OE2 GLU A 76 3.442 -1.155 -13.607 1.00 0.00 O ATOM 0 H GLU A 76 0.884 -5.543 -10.836 1.00 0.00 H new ATOM 0 HA GLU A 76 3.253 -4.376 -9.526 1.00 0.00 H new ATOM 0 HB2 GLU A 76 3.836 -4.276 -11.841 1.00 0.00 H new ATOM 0 HB3 GLU A 76 2.204 -3.857 -12.322 1.00 0.00 H new ATOM 0 HG2 GLU A 76 2.407 -1.641 -11.384 1.00 0.00 H new ATOM 0 HG3 GLU A 76 3.923 -2.043 -10.604 1.00 0.00 H new ATOM 1123 N TYR A 77 1.582 -2.994 -8.332 1.00 0.00 N ATOM 1124 CA TYR A 77 0.688 -2.078 -7.634 1.00 0.00 C ATOM 1125 C TYR A 77 1.219 -0.649 -7.692 1.00 0.00 C ATOM 1126 O TYR A 77 2.430 -0.425 -7.722 1.00 0.00 O ATOM 1127 CB TYR A 77 0.515 -2.512 -6.178 1.00 0.00 C ATOM 1128 CG TYR A 77 -0.256 -3.803 -6.018 1.00 0.00 C ATOM 1129 CD1 TYR A 77 0.307 -5.021 -6.379 1.00 0.00 C ATOM 1130 CD2 TYR A 77 -1.548 -3.805 -5.507 1.00 0.00 C ATOM 1131 CE1 TYR A 77 -0.394 -6.203 -6.235 1.00 0.00 C ATOM 1132 CE2 TYR A 77 -2.256 -4.982 -5.359 1.00 0.00 C ATOM 1133 CZ TYR A 77 -1.675 -6.178 -5.724 1.00 0.00 C ATOM 1134 OH TYR A 77 -2.377 -7.352 -5.579 1.00 0.00 O ATOM 0 H TYR A 77 2.326 -3.381 -7.752 1.00 0.00 H new ATOM 0 HA TYR A 77 -0.281 -2.106 -8.132 1.00 0.00 H new ATOM 0 HB2 TYR A 77 1.499 -2.627 -5.723 1.00 0.00 H new ATOM 0 HB3 TYR A 77 0.001 -1.722 -5.631 1.00 0.00 H new ATOM 0 HD1 TYR A 77 1.310 -5.044 -6.779 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -2.007 -2.870 -5.221 1.00 0.00 H new ATOM 0 HE1 TYR A 77 0.058 -7.141 -6.521 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -3.259 -4.965 -4.960 1.00 0.00 H new ATOM 0 HH TYR A 77 -1.995 -8.036 -6.167 1.00 0.00 H new ATOM 1144 N LEU A 78 0.304 0.314 -7.704 1.00 0.00 N ATOM 1145 CA LEU A 78 0.678 1.723 -7.757 1.00 0.00 C ATOM 1146 C LEU A 78 -0.062 2.523 -6.690 1.00 0.00 C ATOM 1147 O LEU A 78 -1.235 2.270 -6.413 1.00 0.00 O ATOM 1148 CB LEU A 78 0.379 2.299 -9.142 1.00 0.00 C ATOM 1149 CG LEU A 78 1.303 1.843 -10.272 1.00 0.00 C ATOM 1150 CD1 LEU A 78 0.792 0.551 -10.891 1.00 0.00 C ATOM 1151 CD2 LEU A 78 1.428 2.930 -11.330 1.00 0.00 C ATOM 0 H LEU A 78 -0.702 0.145 -7.678 1.00 0.00 H new ATOM 0 HA LEU A 78 1.748 1.797 -7.563 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -0.645 2.038 -9.409 1.00 0.00 H new ATOM 0 HB3 LEU A 78 0.424 3.386 -9.079 1.00 0.00 H new ATOM 0 HG LEU A 78 2.292 1.655 -9.854 1.00 0.00 H new ATOM 0 HD11 LEU A 78 1.462 0.242 -11.693 1.00 0.00 H new ATOM 0 HD12 LEU A 78 0.755 -0.228 -10.129 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -0.208 0.712 -11.295 1.00 0.00 H new ATOM 0 HD21 LEU A 78 2.089 2.588 -12.126 1.00 0.00 H new ATOM 0 HD22 LEU A 78 0.444 3.149 -11.744 1.00 0.00 H new ATOM 0 HD23 LEU A 78 1.841 3.832 -10.878 1.00 0.00 H new ATOM 1163 N CYS A 79 0.629 3.490 -6.097 1.00 0.00 N ATOM 1164 CA CYS A 79 0.036 4.329 -5.062 1.00 0.00 C ATOM 1165 C CYS A 79 0.062 5.798 -5.471 1.00 0.00 C ATOM 1166 O CYS A 79 1.105 6.450 -5.420 1.00 0.00 O ATOM 1167 CB CYS A 79 0.779 4.143 -3.738 1.00 0.00 C ATOM 1168 SG CYS A 79 0.113 5.125 -2.374 1.00 0.00 S ATOM 0 H CYS A 79 1.600 3.712 -6.315 1.00 0.00 H new ATOM 0 HA CYS A 79 -1.003 4.025 -4.934 1.00 0.00 H new ATOM 0 HB2 CYS A 79 0.749 3.089 -3.462 1.00 0.00 H new ATOM 0 HB3 CYS A 79 1.827 4.405 -3.882 1.00 0.00 H new ATOM 0 HG CYS A 79 0.841 4.943 -1.313 1.00 0.00 H new ATOM 1174 N VAL A 80 -1.094 6.314 -5.879 1.00 0.00 N ATOM 1175 CA VAL A 80 -1.204 7.706 -6.298 1.00 0.00 C ATOM 1176 C VAL A 80 -1.553 8.609 -5.120 1.00 0.00 C ATOM 1177 O VAL A 80 -2.450 8.301 -4.333 1.00 0.00 O ATOM 1178 CB VAL A 80 -2.269 7.879 -7.397 1.00 0.00 C ATOM 1179 CG1 VAL A 80 -2.243 9.296 -7.948 1.00 0.00 C ATOM 1180 CG2 VAL A 80 -2.058 6.861 -8.507 1.00 0.00 C ATOM 0 H VAL A 80 -1.967 5.789 -5.928 1.00 0.00 H new ATOM 0 HA VAL A 80 -0.231 7.994 -6.697 1.00 0.00 H new ATOM 0 HB VAL A 80 -3.251 7.705 -6.958 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -3.002 9.399 -8.723 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -2.447 10.003 -7.144 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -1.261 9.503 -8.372 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -2.819 6.997 -9.275 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -1.070 7.001 -8.946 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -2.133 5.854 -8.096 1.00 0.00 H new ATOM 1190 N CYS A 81 -0.841 9.724 -5.005 1.00 0.00 N ATOM 1191 CA CYS A 81 -1.075 10.672 -3.922 1.00 0.00 C ATOM 1192 C CYS A 81 -1.521 12.024 -4.470 1.00 0.00 C ATOM 1193 O CYS A 81 -1.472 13.036 -3.771 1.00 0.00 O ATOM 1194 CB CYS A 81 0.191 10.842 -3.081 1.00 0.00 C ATOM 1195 SG CYS A 81 1.423 11.943 -3.816 1.00 0.00 S ATOM 0 H CYS A 81 -0.097 9.994 -5.648 1.00 0.00 H new ATOM 0 HA CYS A 81 -1.870 10.275 -3.291 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -0.086 11.228 -2.100 1.00 0.00 H new ATOM 0 HB3 CYS A 81 0.643 9.863 -2.922 1.00 0.00 H new ATOM 0 HG CYS A 81 1.563 11.658 -5.077 1.00 0.00 H new ATOM 1201 N GLY A 82 -1.954 12.034 -5.727 1.00 0.00 N ATOM 1202 CA GLY A 82 -2.400 13.267 -6.349 1.00 0.00 C ATOM 1203 C GLY A 82 -1.542 13.662 -7.534 1.00 0.00 C ATOM 1204 O GLY A 82 -1.847 13.308 -8.673 1.00 0.00 O ATOM 0 H GLY A 82 -2.004 11.210 -6.326 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -3.434 13.153 -6.675 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -2.386 14.069 -5.611 1.00 0.00 H new ATOM 1208 N GLN A 83 -0.468 14.398 -7.267 1.00 0.00 N ATOM 1209 CA GLN A 83 0.434 14.843 -8.322 1.00 0.00 C ATOM 1210 C GLN A 83 1.545 13.823 -8.555 1.00 0.00 C ATOM 1211 O GLN A 83 2.108 13.744 -9.646 1.00 0.00 O ATOM 1212 CB GLN A 83 1.039 16.201 -7.965 1.00 0.00 C ATOM 1213 CG GLN A 83 1.401 17.044 -9.178 1.00 0.00 C ATOM 1214 CD GLN A 83 2.551 17.994 -8.907 1.00 0.00 C ATOM 1215 OE1 GLN A 83 2.429 18.922 -8.108 1.00 0.00 O ATOM 1216 NE2 GLN A 83 3.677 17.765 -9.573 1.00 0.00 N ATOM 0 H GLN A 83 -0.202 14.699 -6.329 1.00 0.00 H new ATOM 0 HA GLN A 83 -0.143 14.941 -9.242 1.00 0.00 H new ATOM 0 HB2 GLN A 83 0.331 16.754 -7.347 1.00 0.00 H new ATOM 0 HB3 GLN A 83 1.933 16.044 -7.362 1.00 0.00 H new ATOM 0 HG2 GLN A 83 1.665 16.387 -10.006 1.00 0.00 H new ATOM 0 HG3 GLN A 83 0.528 17.617 -9.491 1.00 0.00 H new ATOM 0 HE21 GLN A 83 3.733 16.983 -10.226 1.00 0.00 H new ATOM 0 HE22 GLN A 83 4.485 18.371 -9.431 1.00 0.00 H new ATOM 1225 N GLU A 84 1.854 13.047 -7.521 1.00 0.00 N ATOM 1226 CA GLU A 84 2.899 12.034 -7.613 1.00 0.00 C ATOM 1227 C GLU A 84 2.328 10.640 -7.366 1.00 0.00 C ATOM 1228 O GLU A 84 1.314 10.485 -6.687 1.00 0.00 O ATOM 1229 CB GLU A 84 4.014 12.326 -6.608 1.00 0.00 C ATOM 1230 CG GLU A 84 4.590 13.727 -6.728 1.00 0.00 C ATOM 1231 CD GLU A 84 5.051 14.049 -8.136 1.00 0.00 C ATOM 1232 OE1 GLU A 84 6.084 13.492 -8.564 1.00 0.00 O ATOM 1233 OE2 GLU A 84 4.380 14.859 -8.810 1.00 0.00 O ATOM 0 H GLU A 84 1.396 13.100 -6.611 1.00 0.00 H new ATOM 0 HA GLU A 84 3.312 12.066 -8.621 1.00 0.00 H new ATOM 0 HB2 GLU A 84 3.627 12.186 -5.598 1.00 0.00 H new ATOM 0 HB3 GLU A 84 4.815 11.600 -6.746 1.00 0.00 H new ATOM 0 HG2 GLU A 84 3.837 14.453 -6.421 1.00 0.00 H new ATOM 0 HG3 GLU A 84 5.431 13.830 -6.042 1.00 0.00 H new ATOM 1240 N ARG A 85 2.988 9.630 -7.923 1.00 0.00 N ATOM 1241 CA ARG A 85 2.547 8.249 -7.765 1.00 0.00 C ATOM 1242 C ARG A 85 3.716 7.282 -7.928 1.00 0.00 C ATOM 1243 O ARG A 85 4.593 7.487 -8.768 1.00 0.00 O ATOM 1244 CB ARG A 85 1.454 7.921 -8.784 1.00 0.00 C ATOM 1245 CG ARG A 85 1.910 8.047 -10.228 1.00 0.00 C ATOM 1246 CD ARG A 85 0.934 7.376 -11.181 1.00 0.00 C ATOM 1247 NE ARG A 85 -0.200 8.239 -11.501 1.00 0.00 N ATOM 1248 CZ ARG A 85 -0.101 9.340 -12.238 1.00 0.00 C ATOM 1249 NH1 ARG A 85 1.074 9.709 -12.729 1.00 0.00 N ATOM 1250 NH2 ARG A 85 -1.179 10.073 -12.485 1.00 0.00 N ATOM 0 H ARG A 85 3.830 9.742 -8.488 1.00 0.00 H new ATOM 0 HA ARG A 85 2.143 8.136 -6.759 1.00 0.00 H new ATOM 0 HB2 ARG A 85 1.101 6.904 -8.611 1.00 0.00 H new ATOM 0 HB3 ARG A 85 0.605 8.585 -8.621 1.00 0.00 H new ATOM 0 HG2 ARG A 85 2.009 9.101 -10.489 1.00 0.00 H new ATOM 0 HG3 ARG A 85 2.897 7.597 -10.340 1.00 0.00 H new ATOM 0 HD2 ARG A 85 1.453 7.105 -12.100 1.00 0.00 H new ATOM 0 HD3 ARG A 85 0.570 6.450 -10.735 1.00 0.00 H new ATOM 0 HE ARG A 85 -1.118 7.982 -11.139 1.00 0.00 H new ATOM 0 HH11 ARG A 85 1.904 9.147 -12.541 1.00 0.00 H new ATOM 0 HH12 ARG A 85 1.148 10.555 -13.295 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -2.084 9.791 -12.109 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -1.102 10.918 -13.051 1.00 0.00 H new ATOM 1264 N THR A 86 3.722 6.228 -7.118 1.00 0.00 N ATOM 1265 CA THR A 86 4.784 5.230 -7.170 1.00 0.00 C ATOM 1266 C THR A 86 4.233 3.862 -7.554 1.00 0.00 C ATOM 1267 O THR A 86 3.020 3.661 -7.602 1.00 0.00 O ATOM 1268 CB THR A 86 5.516 5.117 -5.820 1.00 0.00 C ATOM 1269 OG1 THR A 86 6.317 3.930 -5.795 1.00 0.00 O ATOM 1270 CG2 THR A 86 4.523 5.090 -4.667 1.00 0.00 C ATOM 0 H THR A 86 3.003 6.043 -6.418 1.00 0.00 H new ATOM 0 HA THR A 86 5.492 5.560 -7.931 1.00 0.00 H new ATOM 0 HB THR A 86 6.158 5.990 -5.705 1.00 0.00 H new ATOM 0 HG1 THR A 86 7.116 4.063 -6.347 1.00 0.00 H new ATOM 0 HG21 THR A 86 5.063 5.010 -3.724 1.00 0.00 H new ATOM 0 HG22 THR A 86 3.935 6.008 -4.672 1.00 0.00 H new ATOM 0 HG23 THR A 86 3.859 4.233 -4.779 1.00 0.00 H new ATOM 1278 N SER A 87 5.133 2.922 -7.825 1.00 0.00 N ATOM 1279 CA SER A 87 4.737 1.572 -8.207 1.00 0.00 C ATOM 1280 C SER A 87 5.704 0.539 -7.635 1.00 0.00 C ATOM 1281 O SER A 87 6.867 0.841 -7.373 1.00 0.00 O ATOM 1282 CB SER A 87 4.681 1.446 -9.731 1.00 0.00 C ATOM 1283 OG SER A 87 5.979 1.281 -10.277 1.00 0.00 O ATOM 0 H SER A 87 6.141 3.071 -7.787 1.00 0.00 H new ATOM 0 HA SER A 87 3.745 1.381 -7.797 1.00 0.00 H new ATOM 0 HB2 SER A 87 4.057 0.596 -10.006 1.00 0.00 H new ATOM 0 HB3 SER A 87 4.215 2.335 -10.156 1.00 0.00 H new ATOM 0 HG SER A 87 5.916 1.201 -11.252 1.00 0.00 H new ATOM 1289 N ALA A 88 5.212 -0.681 -7.444 1.00 0.00 N ATOM 1290 CA ALA A 88 6.031 -1.759 -6.906 1.00 0.00 C ATOM 1291 C ALA A 88 5.677 -3.094 -7.552 1.00 0.00 C ATOM 1292 O ALA A 88 4.846 -3.155 -8.459 1.00 0.00 O ATOM 1293 CB ALA A 88 5.868 -1.842 -5.395 1.00 0.00 C ATOM 0 H ALA A 88 4.250 -0.947 -7.654 1.00 0.00 H new ATOM 0 HA ALA A 88 7.073 -1.539 -7.137 1.00 0.00 H new ATOM 0 HB1 ALA A 88 6.486 -2.652 -5.006 1.00 0.00 H new ATOM 0 HB2 ALA A 88 6.179 -0.900 -4.943 1.00 0.00 H new ATOM 0 HB3 ALA A 88 4.823 -2.034 -5.152 1.00 0.00 H new ATOM 1299 N THR A 89 6.313 -4.162 -7.081 1.00 0.00 N ATOM 1300 CA THR A 89 6.066 -5.495 -7.615 1.00 0.00 C ATOM 1301 C THR A 89 5.902 -6.515 -6.494 1.00 0.00 C ATOM 1302 O THR A 89 6.844 -6.793 -5.751 1.00 0.00 O ATOM 1303 CB THR A 89 7.209 -5.950 -8.543 1.00 0.00 C ATOM 1304 OG1 THR A 89 7.599 -4.873 -9.403 1.00 0.00 O ATOM 1305 CG2 THR A 89 6.783 -7.146 -9.380 1.00 0.00 C ATOM 0 H THR A 89 7.003 -4.129 -6.331 1.00 0.00 H new ATOM 0 HA THR A 89 5.142 -5.438 -8.190 1.00 0.00 H new ATOM 0 HB THR A 89 8.056 -6.245 -7.923 1.00 0.00 H new ATOM 0 HG1 THR A 89 8.327 -5.169 -9.989 1.00 0.00 H new ATOM 0 HG21 THR A 89 7.606 -7.449 -10.027 1.00 0.00 H new ATOM 0 HG22 THR A 89 6.515 -7.973 -8.723 1.00 0.00 H new ATOM 0 HG23 THR A 89 5.922 -6.874 -9.991 1.00 0.00 H new ATOM 1313 N LEU A 90 4.701 -7.069 -6.376 1.00 0.00 N ATOM 1314 CA LEU A 90 4.413 -8.059 -5.344 1.00 0.00 C ATOM 1315 C LEU A 90 4.642 -9.473 -5.868 1.00 0.00 C ATOM 1316 O LEU A 90 4.469 -9.743 -7.057 1.00 0.00 O ATOM 1317 CB LEU A 90 2.970 -7.912 -4.856 1.00 0.00 C ATOM 1318 CG LEU A 90 2.482 -8.978 -3.875 1.00 0.00 C ATOM 1319 CD1 LEU A 90 3.248 -8.890 -2.564 1.00 0.00 C ATOM 1320 CD2 LEU A 90 0.986 -8.834 -3.632 1.00 0.00 C ATOM 0 H LEU A 90 3.910 -6.850 -6.982 1.00 0.00 H new ATOM 0 HA LEU A 90 5.092 -7.885 -4.509 1.00 0.00 H new ATOM 0 HB2 LEU A 90 2.865 -6.936 -4.383 1.00 0.00 H new ATOM 0 HB3 LEU A 90 2.311 -7.917 -5.725 1.00 0.00 H new ATOM 0 HG LEU A 90 2.666 -9.959 -4.313 1.00 0.00 H new ATOM 0 HD11 LEU A 90 2.886 -9.657 -1.879 1.00 0.00 H new ATOM 0 HD12 LEU A 90 4.311 -9.044 -2.752 1.00 0.00 H new ATOM 0 HD13 LEU A 90 3.097 -7.906 -2.120 1.00 0.00 H new ATOM 0 HD21 LEU A 90 0.656 -9.601 -2.931 1.00 0.00 H new ATOM 0 HD22 LEU A 90 0.778 -7.848 -3.216 1.00 0.00 H new ATOM 0 HD23 LEU A 90 0.451 -8.950 -4.575 1.00 0.00 H new ATOM 1332 N THR A 91 5.032 -10.375 -4.971 1.00 0.00 N ATOM 1333 CA THR A 91 5.284 -11.762 -5.342 1.00 0.00 C ATOM 1334 C THR A 91 4.448 -12.717 -4.498 1.00 0.00 C ATOM 1335 O THR A 91 4.445 -12.634 -3.269 1.00 0.00 O ATOM 1336 CB THR A 91 6.773 -12.123 -5.184 1.00 0.00 C ATOM 1337 OG1 THR A 91 7.568 -11.320 -6.062 1.00 0.00 O ATOM 1338 CG2 THR A 91 7.007 -13.596 -5.485 1.00 0.00 C ATOM 0 H THR A 91 5.180 -10.169 -3.983 1.00 0.00 H new ATOM 0 HA THR A 91 5.002 -11.866 -6.390 1.00 0.00 H new ATOM 0 HB THR A 91 7.064 -11.928 -4.152 1.00 0.00 H new ATOM 0 HG1 THR A 91 8.513 -11.555 -5.954 1.00 0.00 H new ATOM 0 HG21 THR A 91 8.066 -13.828 -5.367 1.00 0.00 H new ATOM 0 HG22 THR A 91 6.423 -14.206 -4.795 1.00 0.00 H new ATOM 0 HG23 THR A 91 6.700 -13.811 -6.509 1.00 0.00 H new ATOM 1346 N ILE A 92 3.742 -13.624 -5.164 1.00 0.00 N ATOM 1347 CA ILE A 92 2.904 -14.597 -4.474 1.00 0.00 C ATOM 1348 C ILE A 92 3.548 -15.979 -4.478 1.00 0.00 C ATOM 1349 O ILE A 92 4.279 -16.332 -5.404 1.00 0.00 O ATOM 1350 CB ILE A 92 1.507 -14.692 -5.116 1.00 0.00 C ATOM 1351 CG1 ILE A 92 0.839 -13.316 -5.143 1.00 0.00 C ATOM 1352 CG2 ILE A 92 0.644 -15.691 -4.359 1.00 0.00 C ATOM 1353 CD1 ILE A 92 0.683 -12.692 -3.774 1.00 0.00 C ATOM 0 H ILE A 92 3.733 -13.706 -6.181 1.00 0.00 H new ATOM 0 HA ILE A 92 2.800 -14.251 -3.446 1.00 0.00 H new ATOM 0 HB ILE A 92 1.618 -15.041 -6.143 1.00 0.00 H new ATOM 0 HG12 ILE A 92 1.427 -12.648 -5.773 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -0.144 -13.407 -5.606 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -0.340 -15.747 -4.824 1.00 0.00 H new ATOM 0 HG22 ILE A 92 1.115 -16.673 -4.387 1.00 0.00 H new ATOM 0 HG23 ILE A 92 0.538 -15.369 -3.323 1.00 0.00 H new ATOM 0 HD11 ILE A 92 0.202 -11.719 -3.870 1.00 0.00 H new ATOM 0 HD12 ILE A 92 0.070 -13.339 -3.147 1.00 0.00 H new ATOM 0 HD13 ILE A 92 1.665 -12.568 -3.317 1.00 0.00 H new ATOM 1365 N ARG A 93 3.271 -16.758 -3.437 1.00 0.00 N ATOM 1366 CA ARG A 93 3.824 -18.102 -3.320 1.00 0.00 C ATOM 1367 C ARG A 93 2.710 -19.143 -3.249 1.00 0.00 C ATOM 1368 O ARG A 93 1.956 -19.193 -2.278 1.00 0.00 O ATOM 1369 CB ARG A 93 4.713 -18.205 -2.080 1.00 0.00 C ATOM 1370 CG ARG A 93 6.112 -17.647 -2.286 1.00 0.00 C ATOM 1371 CD ARG A 93 6.862 -18.410 -3.367 1.00 0.00 C ATOM 1372 NE ARG A 93 8.310 -18.263 -3.236 1.00 0.00 N ATOM 1373 CZ ARG A 93 9.006 -18.737 -2.209 1.00 0.00 C ATOM 1374 NH1 ARG A 93 8.392 -19.386 -1.230 1.00 0.00 N ATOM 1375 NH2 ARG A 93 10.321 -18.563 -2.161 1.00 0.00 N ATOM 0 H ARG A 93 2.667 -16.481 -2.663 1.00 0.00 H new ATOM 0 HA ARG A 93 4.426 -18.299 -4.207 1.00 0.00 H new ATOM 0 HB2 ARG A 93 4.236 -17.673 -1.256 1.00 0.00 H new ATOM 0 HB3 ARG A 93 4.788 -19.251 -1.783 1.00 0.00 H new ATOM 0 HG2 ARG A 93 6.048 -16.594 -2.560 1.00 0.00 H new ATOM 0 HG3 ARG A 93 6.668 -17.700 -1.350 1.00 0.00 H new ATOM 0 HD2 ARG A 93 6.599 -19.466 -3.314 1.00 0.00 H new ATOM 0 HD3 ARG A 93 6.548 -18.052 -4.348 1.00 0.00 H new ATOM 0 HE ARG A 93 8.813 -17.770 -3.973 1.00 0.00 H new ATOM 0 HH11 ARG A 93 7.382 -19.523 -1.264 1.00 0.00 H new ATOM 0 HH12 ARG A 93 8.930 -19.749 -0.443 1.00 0.00 H new ATOM 0 HH21 ARG A 93 10.797 -18.065 -2.913 1.00 0.00 H new ATOM 0 HH22 ARG A 93 10.855 -18.927 -1.372 1.00 0.00 H new ATOM 1389 N ALA A 94 2.614 -19.971 -4.284 1.00 0.00 N ATOM 1390 CA ALA A 94 1.594 -21.011 -4.338 1.00 0.00 C ATOM 1391 C ALA A 94 1.581 -21.834 -3.054 1.00 0.00 C ATOM 1392 O ALA A 94 2.580 -22.459 -2.695 1.00 0.00 O ATOM 1393 CB ALA A 94 1.822 -21.912 -5.542 1.00 0.00 C ATOM 0 H ALA A 94 3.230 -19.942 -5.096 1.00 0.00 H new ATOM 0 HA ALA A 94 0.622 -20.527 -4.439 1.00 0.00 H new ATOM 0 HB1 ALA A 94 1.053 -22.684 -5.570 1.00 0.00 H new ATOM 0 HB2 ALA A 94 1.773 -21.319 -6.455 1.00 0.00 H new ATOM 0 HB3 ALA A 94 2.803 -22.380 -5.465 1.00 0.00 H new ATOM 1399 N LEU A 95 0.445 -21.830 -2.366 1.00 0.00 N ATOM 1400 CA LEU A 95 0.302 -22.577 -1.120 1.00 0.00 C ATOM 1401 C LEU A 95 0.783 -24.014 -1.289 1.00 0.00 C ATOM 1402 O LEU A 95 0.655 -24.616 -2.356 1.00 0.00 O ATOM 1403 CB LEU A 95 -1.156 -22.565 -0.660 1.00 0.00 C ATOM 1404 CG LEU A 95 -1.633 -21.284 0.026 1.00 0.00 C ATOM 1405 CD1 LEU A 95 -3.142 -21.140 -0.102 1.00 0.00 C ATOM 1406 CD2 LEU A 95 -1.217 -21.277 1.490 1.00 0.00 C ATOM 0 H LEU A 95 -0.391 -21.318 -2.649 1.00 0.00 H new ATOM 0 HA LEU A 95 0.919 -22.094 -0.362 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -1.791 -22.747 -1.527 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -1.306 -23.398 0.026 1.00 0.00 H new ATOM 0 HG LEU A 95 -1.164 -20.433 -0.469 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -3.463 -20.223 0.392 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -3.415 -21.099 -1.156 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -3.630 -21.995 0.367 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -1.565 -20.358 1.963 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -1.657 -22.135 1.997 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -0.131 -21.332 1.560 1.00 0.00 H new