USER MOD reduce.3.24.130724 H: found=0, std=0, add=557, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 557 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 10 MET CE :methyl 174:sc= -2.87 (180deg=-3.19) USER MOD Single : A 11 SER OG : rot -81:sc= 1.18 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ -164:sc= 1.28 (180deg=1.22) USER MOD Single : A 17 GLN : amide:sc= -1.33! K(o=-1.3!,f=-0.06) USER MOD Single : A 19 SER OG : rot -53:sc= 1.03 USER MOD Single : A 23 ASN : amide:sc= -0.0189 X(o=-0.019,f=-0.019) USER MOD Single : A 24 LYS NZ :NH3+ -161:sc= -0.0524 (180deg=-0.398) USER MOD Single : A 29 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.107) USER MOD Single : A 35 HIS : no HD1:sc= -0.05 X(o=-0.05,f=0) USER MOD Single : A 38 GLN : amide:sc= -3.28 K(o=-3.3,f=-6.2!) USER MOD Single : A 39 SER OG : rot -78:sc= 1.18 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -0.304 K(o=-0.3,f=-2.9!) USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.504 USER MOD Single : A 60 LYS NZ :NH3+ 172:sc= 1.24 (180deg=1.06) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 160:sc= 1.29 USER MOD Single : A 70 TYR OH : rot 172:sc= 1.22 USER MOD Single : A 72 THR OG1 : rot -11:sc= 1.99 USER MOD Single : A 73 SER OG : rot -49:sc= 1.32 USER MOD Single : A 74 CYS SG : rot -17:sc= 0.195 USER MOD ----------------------------------------------------------------- ATOM 126 N PRO A 9 -13.090 7.088 -2.364 1.00 0.00 N ATOM 127 CA PRO A 9 -12.746 6.164 -3.432 1.00 0.00 C ATOM 128 C PRO A 9 -11.451 6.574 -4.122 1.00 0.00 C ATOM 129 O PRO A 9 -11.305 7.717 -4.563 1.00 0.00 O ATOM 130 CB PRO A 9 -13.936 6.249 -4.389 1.00 0.00 C ATOM 131 CG PRO A 9 -14.558 7.583 -4.141 1.00 0.00 C ATOM 132 CD PRO A 9 -14.201 7.982 -2.724 1.00 0.00 C ATOM 0 HA PRO A 9 -12.572 5.151 -3.069 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -13.613 6.154 -5.426 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -14.647 5.444 -4.202 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -14.188 8.320 -4.854 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -15.640 7.534 -4.267 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -13.903 9.029 -2.669 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -15.048 7.855 -2.050 1.00 0.00 H new ATOM 140 N MET A 10 -10.503 5.655 -4.186 1.00 0.00 N ATOM 141 CA MET A 10 -9.208 5.945 -4.779 1.00 0.00 C ATOM 142 C MET A 10 -9.260 5.695 -6.282 1.00 0.00 C ATOM 143 O MET A 10 -9.588 4.592 -6.723 1.00 0.00 O ATOM 144 CB MET A 10 -8.116 5.081 -4.150 1.00 0.00 C ATOM 145 CG MET A 10 -6.714 5.481 -4.573 1.00 0.00 C ATOM 146 SD MET A 10 -5.986 6.736 -3.513 1.00 0.00 S ATOM 147 CE MET A 10 -5.912 5.845 -1.971 1.00 0.00 C ATOM 0 H MET A 10 -10.605 4.703 -3.835 1.00 0.00 H new ATOM 0 HA MET A 10 -8.971 6.992 -4.592 1.00 0.00 H new ATOM 0 HB2 MET A 10 -8.192 5.145 -3.065 1.00 0.00 H new ATOM 0 HB3 MET A 10 -8.286 4.039 -4.421 1.00 0.00 H new ATOM 0 HG2 MET A 10 -6.075 4.598 -4.571 1.00 0.00 H new ATOM 0 HG3 MET A 10 -6.742 5.852 -5.598 1.00 0.00 H new ATOM 0 HE1 MET A 10 -5.386 6.445 -1.229 1.00 0.00 H new ATOM 0 HE2 MET A 10 -6.923 5.640 -1.621 1.00 0.00 H new ATOM 0 HE3 MET A 10 -5.381 4.904 -2.119 1.00 0.00 H new ATOM 157 N SER A 11 -8.947 6.713 -7.064 1.00 0.00 N ATOM 158 CA SER A 11 -9.037 6.611 -8.514 1.00 0.00 C ATOM 159 C SER A 11 -7.808 5.913 -9.119 1.00 0.00 C ATOM 160 O SER A 11 -6.855 5.600 -8.403 1.00 0.00 O ATOM 161 CB SER A 11 -9.221 8.001 -9.123 1.00 0.00 C ATOM 162 OG SER A 11 -8.193 8.884 -8.706 1.00 0.00 O ATOM 0 H SER A 11 -8.628 7.620 -6.722 1.00 0.00 H new ATOM 0 HA SER A 11 -9.905 5.996 -8.753 1.00 0.00 H new ATOM 0 HB2 SER A 11 -9.222 7.927 -10.210 1.00 0.00 H new ATOM 0 HB3 SER A 11 -10.191 8.404 -8.830 1.00 0.00 H new ATOM 0 HG SER A 11 -8.402 9.232 -7.814 1.00 0.00 H new ATOM 168 N TYR A 12 -7.831 5.685 -10.434 1.00 0.00 N ATOM 169 CA TYR A 12 -6.756 4.974 -11.129 1.00 0.00 C ATOM 170 C TYR A 12 -5.407 5.688 -10.967 1.00 0.00 C ATOM 171 O TYR A 12 -4.407 5.068 -10.596 1.00 0.00 O ATOM 172 CB TYR A 12 -7.142 4.793 -12.613 1.00 0.00 C ATOM 173 CG TYR A 12 -6.025 4.993 -13.626 1.00 0.00 C ATOM 174 CD1 TYR A 12 -4.969 4.095 -13.729 1.00 0.00 C ATOM 175 CD2 TYR A 12 -6.044 6.078 -14.493 1.00 0.00 C ATOM 176 CE1 TYR A 12 -3.966 4.276 -14.661 1.00 0.00 C ATOM 177 CE2 TYR A 12 -5.043 6.263 -15.426 1.00 0.00 C ATOM 178 CZ TYR A 12 -4.006 5.361 -15.506 1.00 0.00 C ATOM 179 OH TYR A 12 -3.006 5.543 -16.436 1.00 0.00 O ATOM 0 H TYR A 12 -8.591 5.986 -11.044 1.00 0.00 H new ATOM 0 HA TYR A 12 -6.632 3.989 -10.679 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -7.546 3.789 -12.742 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -7.945 5.492 -12.846 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -4.932 3.241 -13.069 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -6.855 6.789 -14.436 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -3.153 3.568 -14.726 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -5.074 7.113 -16.091 1.00 0.00 H new ATOM 0 HH TYR A 12 -3.185 6.355 -16.954 1.00 0.00 H new ATOM 189 N GLU A 13 -5.395 6.990 -11.228 1.00 0.00 N ATOM 190 CA GLU A 13 -4.188 7.806 -11.088 1.00 0.00 C ATOM 191 C GLU A 13 -3.645 7.732 -9.667 1.00 0.00 C ATOM 192 O GLU A 13 -2.433 7.694 -9.446 1.00 0.00 O ATOM 193 CB GLU A 13 -4.527 9.261 -11.424 1.00 0.00 C ATOM 194 CG GLU A 13 -4.898 9.480 -12.882 1.00 0.00 C ATOM 195 CD GLU A 13 -3.689 9.597 -13.780 1.00 0.00 C ATOM 196 OE1 GLU A 13 -2.927 10.578 -13.636 1.00 0.00 O ATOM 197 OE2 GLU A 13 -3.484 8.711 -14.628 1.00 0.00 O ATOM 0 H GLU A 13 -6.215 7.510 -11.541 1.00 0.00 H new ATOM 0 HA GLU A 13 -3.427 7.426 -11.770 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -5.355 9.587 -10.795 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -3.672 9.891 -11.177 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -5.520 8.652 -13.223 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -5.498 10.386 -12.968 1.00 0.00 H new ATOM 204 N GLU A 14 -4.560 7.694 -8.716 1.00 0.00 N ATOM 205 CA GLU A 14 -4.214 7.686 -7.312 1.00 0.00 C ATOM 206 C GLU A 14 -3.613 6.350 -6.910 1.00 0.00 C ATOM 207 O GLU A 14 -2.585 6.304 -6.244 1.00 0.00 O ATOM 208 CB GLU A 14 -5.457 7.969 -6.490 1.00 0.00 C ATOM 209 CG GLU A 14 -5.896 9.423 -6.511 1.00 0.00 C ATOM 210 CD GLU A 14 -7.137 9.664 -5.670 1.00 0.00 C ATOM 211 OE1 GLU A 14 -8.240 9.269 -6.107 1.00 0.00 O ATOM 212 OE2 GLU A 14 -7.016 10.245 -4.568 1.00 0.00 O ATOM 0 H GLU A 14 -5.563 7.668 -8.898 1.00 0.00 H new ATOM 0 HA GLU A 14 -3.468 8.459 -7.127 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -6.273 7.349 -6.860 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -5.273 7.671 -5.458 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -5.084 10.050 -6.144 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -6.093 9.726 -7.539 1.00 0.00 H new ATOM 219 N LYS A 15 -4.259 5.267 -7.327 1.00 0.00 N ATOM 220 CA LYS A 15 -3.750 3.920 -7.065 1.00 0.00 C ATOM 221 C LYS A 15 -2.338 3.759 -7.625 1.00 0.00 C ATOM 222 O LYS A 15 -1.499 3.076 -7.035 1.00 0.00 O ATOM 223 CB LYS A 15 -4.667 2.856 -7.663 1.00 0.00 C ATOM 224 CG LYS A 15 -5.987 2.714 -6.950 1.00 0.00 C ATOM 225 CD LYS A 15 -7.041 2.191 -7.894 1.00 0.00 C ATOM 226 CE LYS A 15 -8.097 1.415 -7.145 1.00 0.00 C ATOM 227 NZ LYS A 15 -9.050 0.739 -8.062 1.00 0.00 N ATOM 0 H LYS A 15 -5.136 5.292 -7.848 1.00 0.00 H new ATOM 0 HA LYS A 15 -3.722 3.784 -5.984 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -4.855 3.099 -8.709 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -4.152 1.896 -7.646 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -5.879 2.036 -6.103 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -6.296 3.679 -6.548 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -7.504 3.022 -8.426 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -6.577 1.551 -8.645 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -7.617 0.671 -6.509 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -8.644 2.090 -6.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -9.897 0.451 -7.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -9.323 1.393 -8.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -8.598 -0.102 -8.475 1.00 0.00 H new ATOM 241 N ARG A 16 -2.078 4.394 -8.765 1.00 0.00 N ATOM 242 CA ARG A 16 -0.742 4.390 -9.343 1.00 0.00 C ATOM 243 C ARG A 16 0.229 5.138 -8.441 1.00 0.00 C ATOM 244 O ARG A 16 1.285 4.610 -8.090 1.00 0.00 O ATOM 245 CB ARG A 16 -0.728 5.014 -10.735 1.00 0.00 C ATOM 246 CG ARG A 16 0.660 5.023 -11.333 1.00 0.00 C ATOM 247 CD ARG A 16 0.747 5.863 -12.584 1.00 0.00 C ATOM 248 NE ARG A 16 0.412 7.262 -12.329 1.00 0.00 N ATOM 249 CZ ARG A 16 -0.600 7.901 -12.910 1.00 0.00 C ATOM 250 NH1 ARG A 16 -1.370 7.275 -13.793 1.00 0.00 N ATOM 251 NH2 ARG A 16 -0.837 9.170 -12.611 1.00 0.00 N ATOM 0 H ARG A 16 -2.772 4.914 -9.302 1.00 0.00 H new ATOM 0 HA ARG A 16 -0.430 3.349 -9.432 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -1.402 4.460 -11.388 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -1.106 6.035 -10.679 1.00 0.00 H new ATOM 0 HG2 ARG A 16 1.367 5.402 -10.595 1.00 0.00 H new ATOM 0 HG3 ARG A 16 0.959 4.001 -11.565 1.00 0.00 H new ATOM 0 HD2 ARG A 16 1.755 5.801 -12.993 1.00 0.00 H new ATOM 0 HD3 ARG A 16 0.071 5.460 -13.339 1.00 0.00 H new ATOM 0 HE ARG A 16 0.989 7.780 -11.666 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -1.187 6.300 -14.029 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -2.145 7.770 -14.235 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -0.244 9.654 -11.937 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -1.612 9.662 -13.055 1.00 0.00 H new ATOM 265 N GLN A 17 -0.138 6.361 -8.066 1.00 0.00 N ATOM 266 CA GLN A 17 0.674 7.172 -7.165 1.00 0.00 C ATOM 267 C GLN A 17 0.949 6.403 -5.880 1.00 0.00 C ATOM 268 O GLN A 17 2.059 6.418 -5.355 1.00 0.00 O ATOM 269 CB GLN A 17 -0.045 8.484 -6.838 1.00 0.00 C ATOM 270 CG GLN A 17 0.802 9.446 -6.023 1.00 0.00 C ATOM 271 CD GLN A 17 1.875 10.129 -6.845 1.00 0.00 C ATOM 272 OE1 GLN A 17 2.970 10.400 -6.352 1.00 0.00 O ATOM 273 NE2 GLN A 17 1.560 10.446 -8.091 1.00 0.00 N ATOM 0 H GLN A 17 -0.998 6.814 -8.375 1.00 0.00 H new ATOM 0 HA GLN A 17 1.619 7.400 -7.657 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -0.341 8.970 -7.768 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -0.960 8.262 -6.289 1.00 0.00 H new ATOM 0 HG2 GLN A 17 0.156 10.203 -5.577 1.00 0.00 H new ATOM 0 HG3 GLN A 17 1.271 8.903 -5.202 1.00 0.00 H new ATOM 0 HE21 GLN A 17 0.641 10.204 -8.462 1.00 0.00 H new ATOM 0 HE22 GLN A 17 2.236 10.933 -8.680 1.00 0.00 H new ATOM 282 N LEU A 18 -0.083 5.722 -5.415 1.00 0.00 N ATOM 283 CA LEU A 18 -0.034 4.900 -4.214 1.00 0.00 C ATOM 284 C LEU A 18 1.010 3.796 -4.362 1.00 0.00 C ATOM 285 O LEU A 18 1.856 3.596 -3.501 1.00 0.00 O ATOM 286 CB LEU A 18 -1.418 4.289 -4.007 1.00 0.00 C ATOM 287 CG LEU A 18 -1.846 3.956 -2.582 1.00 0.00 C ATOM 288 CD1 LEU A 18 -3.160 3.217 -2.625 1.00 0.00 C ATOM 289 CD2 LEU A 18 -0.806 3.135 -1.848 1.00 0.00 C ATOM 0 H LEU A 18 -0.997 5.723 -5.868 1.00 0.00 H new ATOM 0 HA LEU A 18 0.246 5.510 -3.355 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -2.153 4.977 -4.425 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.470 3.372 -4.594 1.00 0.00 H new ATOM 0 HG LEU A 18 -1.956 4.891 -2.032 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.474 2.974 -1.610 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.915 3.845 -3.099 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -3.042 2.297 -3.198 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.156 2.923 -0.838 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -0.641 2.197 -2.379 1.00 0.00 H new ATOM 0 HD23 LEU A 18 0.129 3.693 -1.798 1.00 0.00 H new ATOM 301 N SER A 19 0.957 3.084 -5.468 1.00 0.00 N ATOM 302 CA SER A 19 1.888 1.996 -5.702 1.00 0.00 C ATOM 303 C SER A 19 3.321 2.530 -5.766 1.00 0.00 C ATOM 304 O SER A 19 4.291 1.809 -5.504 1.00 0.00 O ATOM 305 CB SER A 19 1.503 1.263 -6.987 1.00 0.00 C ATOM 306 OG SER A 19 2.037 1.893 -8.143 1.00 0.00 O ATOM 0 H SER A 19 0.282 3.237 -6.218 1.00 0.00 H new ATOM 0 HA SER A 19 1.839 1.287 -4.876 1.00 0.00 H new ATOM 0 HB2 SER A 19 1.860 0.234 -6.938 1.00 0.00 H new ATOM 0 HB3 SER A 19 0.417 1.220 -7.067 1.00 0.00 H new ATOM 0 HG SER A 19 1.785 2.840 -8.145 1.00 0.00 H new ATOM 312 N LEU A 20 3.431 3.814 -6.075 1.00 0.00 N ATOM 313 CA LEU A 20 4.714 4.478 -6.193 1.00 0.00 C ATOM 314 C LEU A 20 5.175 5.029 -4.838 1.00 0.00 C ATOM 315 O LEU A 20 6.371 5.057 -4.548 1.00 0.00 O ATOM 316 CB LEU A 20 4.611 5.580 -7.243 1.00 0.00 C ATOM 317 CG LEU A 20 4.269 5.080 -8.642 1.00 0.00 C ATOM 318 CD1 LEU A 20 4.406 6.198 -9.646 1.00 0.00 C ATOM 319 CD2 LEU A 20 5.141 3.900 -9.026 1.00 0.00 C ATOM 0 H LEU A 20 2.631 4.422 -6.250 1.00 0.00 H new ATOM 0 HA LEU A 20 5.467 3.758 -6.513 1.00 0.00 H new ATOM 0 HB2 LEU A 20 3.851 6.296 -6.929 1.00 0.00 H new ATOM 0 HB3 LEU A 20 5.558 6.118 -7.283 1.00 0.00 H new ATOM 0 HG LEU A 20 3.233 4.741 -8.641 1.00 0.00 H new ATOM 0 HD11 LEU A 20 4.159 5.826 -10.640 1.00 0.00 H new ATOM 0 HD12 LEU A 20 3.727 7.009 -9.382 1.00 0.00 H new ATOM 0 HD13 LEU A 20 5.431 6.568 -9.641 1.00 0.00 H new ATOM 0 HD21 LEU A 20 4.876 3.563 -10.028 1.00 0.00 H new ATOM 0 HD22 LEU A 20 6.188 4.201 -9.009 1.00 0.00 H new ATOM 0 HD23 LEU A 20 4.986 3.087 -8.317 1.00 0.00 H new ATOM 331 N ASP A 21 4.220 5.449 -4.006 1.00 0.00 N ATOM 332 CA ASP A 21 4.531 5.899 -2.646 1.00 0.00 C ATOM 333 C ASP A 21 4.796 4.703 -1.729 1.00 0.00 C ATOM 334 O ASP A 21 5.635 4.774 -0.828 1.00 0.00 O ATOM 335 CB ASP A 21 3.451 6.847 -2.093 1.00 0.00 C ATOM 336 CG ASP A 21 2.053 6.272 -1.980 1.00 0.00 C ATOM 337 OD1 ASP A 21 1.881 5.197 -1.385 1.00 0.00 O ATOM 338 OD2 ASP A 21 1.113 6.936 -2.473 1.00 0.00 O ATOM 0 H ASP A 21 3.230 5.487 -4.247 1.00 0.00 H new ATOM 0 HA ASP A 21 5.449 6.485 -2.684 1.00 0.00 H new ATOM 0 HB2 ASP A 21 3.764 7.184 -1.105 1.00 0.00 H new ATOM 0 HB3 ASP A 21 3.409 7.729 -2.732 1.00 0.00 H new ATOM 343 N ILE A 22 4.129 3.590 -1.996 1.00 0.00 N ATOM 344 CA ILE A 22 4.440 2.336 -1.332 1.00 0.00 C ATOM 345 C ILE A 22 5.853 1.891 -1.676 1.00 0.00 C ATOM 346 O ILE A 22 6.586 1.385 -0.826 1.00 0.00 O ATOM 347 CB ILE A 22 3.422 1.248 -1.730 1.00 0.00 C ATOM 348 CG1 ILE A 22 2.245 1.271 -0.760 1.00 0.00 C ATOM 349 CG2 ILE A 22 4.058 -0.135 -1.797 1.00 0.00 C ATOM 350 CD1 ILE A 22 1.103 0.368 -1.166 1.00 0.00 C ATOM 0 H ILE A 22 3.366 3.531 -2.671 1.00 0.00 H new ATOM 0 HA ILE A 22 4.377 2.490 -0.255 1.00 0.00 H new ATOM 0 HB ILE A 22 3.061 1.469 -2.734 1.00 0.00 H new ATOM 0 HG12 ILE A 22 2.595 0.976 0.229 1.00 0.00 H new ATOM 0 HG13 ILE A 22 1.876 2.293 -0.676 1.00 0.00 H new ATOM 0 HG21 ILE A 22 3.304 -0.869 -2.081 1.00 0.00 H new ATOM 0 HG22 ILE A 22 4.858 -0.132 -2.537 1.00 0.00 H new ATOM 0 HG23 ILE A 22 4.468 -0.395 -0.821 1.00 0.00 H new ATOM 0 HD11 ILE A 22 0.304 0.438 -0.428 1.00 0.00 H new ATOM 0 HD12 ILE A 22 0.725 0.676 -2.141 1.00 0.00 H new ATOM 0 HD13 ILE A 22 1.456 -0.662 -1.222 1.00 0.00 H new ATOM 362 N ASN A 23 6.240 2.109 -2.923 1.00 0.00 N ATOM 363 CA ASN A 23 7.566 1.733 -3.384 1.00 0.00 C ATOM 364 C ASN A 23 8.639 2.619 -2.744 1.00 0.00 C ATOM 365 O ASN A 23 9.819 2.270 -2.725 1.00 0.00 O ATOM 366 CB ASN A 23 7.629 1.826 -4.909 1.00 0.00 C ATOM 367 CG ASN A 23 8.971 1.404 -5.476 1.00 0.00 C ATOM 368 OD1 ASN A 23 9.223 0.216 -5.680 1.00 0.00 O ATOM 369 ND2 ASN A 23 9.824 2.370 -5.772 1.00 0.00 N ATOM 0 H ASN A 23 5.653 2.545 -3.634 1.00 0.00 H new ATOM 0 HA ASN A 23 7.762 0.704 -3.083 1.00 0.00 H new ATOM 0 HB2 ASN A 23 6.847 1.199 -5.338 1.00 0.00 H new ATOM 0 HB3 ASN A 23 7.419 2.851 -5.213 1.00 0.00 H new ATOM 0 HD21 ASN A 23 10.729 2.143 -6.185 1.00 0.00 H new ATOM 0 HD22 ASN A 23 9.577 3.342 -5.587 1.00 0.00 H new ATOM 376 N LYS A 24 8.220 3.762 -2.217 1.00 0.00 N ATOM 377 CA LYS A 24 9.127 4.677 -1.535 1.00 0.00 C ATOM 378 C LYS A 24 9.447 4.189 -0.126 1.00 0.00 C ATOM 379 O LYS A 24 10.443 4.599 0.472 1.00 0.00 O ATOM 380 CB LYS A 24 8.508 6.069 -1.465 1.00 0.00 C ATOM 381 CG LYS A 24 8.701 6.910 -2.717 1.00 0.00 C ATOM 382 CD LYS A 24 7.902 8.202 -2.634 1.00 0.00 C ATOM 383 CE LYS A 24 8.310 9.200 -3.711 1.00 0.00 C ATOM 384 NZ LYS A 24 9.723 9.641 -3.560 1.00 0.00 N ATOM 0 H LYS A 24 7.251 4.079 -2.249 1.00 0.00 H new ATOM 0 HA LYS A 24 10.056 4.717 -2.105 1.00 0.00 H new ATOM 0 HB2 LYS A 24 7.440 5.968 -1.272 1.00 0.00 H new ATOM 0 HB3 LYS A 24 8.937 6.601 -0.616 1.00 0.00 H new ATOM 0 HG2 LYS A 24 9.759 7.140 -2.846 1.00 0.00 H new ATOM 0 HG3 LYS A 24 8.390 6.341 -3.593 1.00 0.00 H new ATOM 0 HD2 LYS A 24 6.840 7.978 -2.732 1.00 0.00 H new ATOM 0 HD3 LYS A 24 8.043 8.652 -1.651 1.00 0.00 H new ATOM 0 HE2 LYS A 24 8.175 8.748 -4.693 1.00 0.00 H new ATOM 0 HE3 LYS A 24 7.653 10.069 -3.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 9.868 10.528 -4.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 9.933 9.795 -2.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 10.357 8.909 -3.938 1.00 0.00 H new ATOM 398 N LEU A 25 8.593 3.323 0.402 1.00 0.00 N ATOM 399 CA LEU A 25 8.768 2.794 1.750 1.00 0.00 C ATOM 400 C LEU A 25 9.955 1.840 1.839 1.00 0.00 C ATOM 401 O LEU A 25 10.189 1.037 0.935 1.00 0.00 O ATOM 402 CB LEU A 25 7.505 2.072 2.206 1.00 0.00 C ATOM 403 CG LEU A 25 6.294 2.966 2.436 1.00 0.00 C ATOM 404 CD1 LEU A 25 5.254 2.204 3.210 1.00 0.00 C ATOM 405 CD2 LEU A 25 6.688 4.214 3.192 1.00 0.00 C ATOM 0 H LEU A 25 7.769 2.970 -0.084 1.00 0.00 H new ATOM 0 HA LEU A 25 8.964 3.644 2.404 1.00 0.00 H new ATOM 0 HB2 LEU A 25 7.246 1.321 1.460 1.00 0.00 H new ATOM 0 HB3 LEU A 25 7.724 1.539 3.131 1.00 0.00 H new ATOM 0 HG LEU A 25 5.887 3.266 1.470 1.00 0.00 H new ATOM 0 HD11 LEU A 25 4.385 2.841 3.377 1.00 0.00 H new ATOM 0 HD12 LEU A 25 4.954 1.322 2.645 1.00 0.00 H new ATOM 0 HD13 LEU A 25 5.668 1.896 4.170 1.00 0.00 H new ATOM 0 HD21 LEU A 25 5.808 4.839 3.346 1.00 0.00 H new ATOM 0 HD22 LEU A 25 7.109 3.936 4.158 1.00 0.00 H new ATOM 0 HD23 LEU A 25 7.431 4.768 2.618 1.00 0.00 H new ATOM 417 N PRO A 26 10.737 1.935 2.933 1.00 0.00 N ATOM 418 CA PRO A 26 11.806 0.977 3.220 1.00 0.00 C ATOM 419 C PRO A 26 11.242 -0.393 3.592 1.00 0.00 C ATOM 420 O PRO A 26 10.075 -0.500 3.973 1.00 0.00 O ATOM 421 CB PRO A 26 12.550 1.594 4.408 1.00 0.00 C ATOM 422 CG PRO A 26 11.570 2.518 5.049 1.00 0.00 C ATOM 423 CD PRO A 26 10.650 2.996 3.954 1.00 0.00 C ATOM 0 HA PRO A 26 12.450 0.809 2.357 1.00 0.00 H new ATOM 0 HB2 PRO A 26 12.881 0.826 5.107 1.00 0.00 H new ATOM 0 HB3 PRO A 26 13.440 2.131 4.079 1.00 0.00 H new ATOM 0 HG2 PRO A 26 11.009 2.006 5.831 1.00 0.00 H new ATOM 0 HG3 PRO A 26 12.080 3.358 5.521 1.00 0.00 H new ATOM 0 HD2 PRO A 26 9.629 3.121 4.315 1.00 0.00 H new ATOM 0 HD3 PRO A 26 10.968 3.960 3.557 1.00 0.00 H new ATOM 431 N GLY A 27 12.075 -1.424 3.506 1.00 0.00 N ATOM 432 CA GLY A 27 11.608 -2.795 3.662 1.00 0.00 C ATOM 433 C GLY A 27 10.802 -3.029 4.929 1.00 0.00 C ATOM 434 O GLY A 27 9.696 -3.568 4.881 1.00 0.00 O ATOM 0 H GLY A 27 13.076 -1.336 3.329 1.00 0.00 H new ATOM 0 HA2 GLY A 27 10.997 -3.061 2.800 1.00 0.00 H new ATOM 0 HA3 GLY A 27 12.468 -3.464 3.661 1.00 0.00 H new ATOM 438 N GLU A 28 11.346 -2.615 6.061 1.00 0.00 N ATOM 439 CA GLU A 28 10.677 -2.803 7.342 1.00 0.00 C ATOM 440 C GLU A 28 9.332 -2.072 7.388 1.00 0.00 C ATOM 441 O GLU A 28 8.339 -2.606 7.890 1.00 0.00 O ATOM 442 CB GLU A 28 11.569 -2.366 8.515 1.00 0.00 C ATOM 443 CG GLU A 28 12.575 -1.277 8.190 1.00 0.00 C ATOM 444 CD GLU A 28 13.776 -1.784 7.418 1.00 0.00 C ATOM 445 OE1 GLU A 28 14.660 -2.424 8.027 1.00 0.00 O ATOM 446 OE2 GLU A 28 13.835 -1.547 6.197 1.00 0.00 O ATOM 0 H GLU A 28 12.250 -2.146 6.121 1.00 0.00 H new ATOM 0 HA GLU A 28 10.484 -3.871 7.445 1.00 0.00 H new ATOM 0 HB2 GLU A 28 10.930 -2.018 9.327 1.00 0.00 H new ATOM 0 HB3 GLU A 28 12.108 -3.238 8.885 1.00 0.00 H new ATOM 0 HG2 GLU A 28 12.082 -0.497 7.610 1.00 0.00 H new ATOM 0 HG3 GLU A 28 12.915 -0.817 9.118 1.00 0.00 H new ATOM 453 N LYS A 29 9.283 -0.874 6.822 1.00 0.00 N ATOM 454 CA LYS A 29 8.065 -0.075 6.862 1.00 0.00 C ATOM 455 C LYS A 29 7.030 -0.616 5.886 1.00 0.00 C ATOM 456 O LYS A 29 5.829 -0.524 6.117 1.00 0.00 O ATOM 457 CB LYS A 29 8.372 1.378 6.501 1.00 0.00 C ATOM 458 CG LYS A 29 8.542 2.312 7.688 1.00 0.00 C ATOM 459 CD LYS A 29 9.662 1.883 8.612 1.00 0.00 C ATOM 460 CE LYS A 29 10.331 3.091 9.242 1.00 0.00 C ATOM 461 NZ LYS A 29 9.357 3.941 9.982 1.00 0.00 N ATOM 0 H LYS A 29 10.064 -0.437 6.334 1.00 0.00 H new ATOM 0 HA LYS A 29 7.666 -0.128 7.875 1.00 0.00 H new ATOM 0 HB2 LYS A 29 9.284 1.404 5.904 1.00 0.00 H new ATOM 0 HB3 LYS A 29 7.568 1.758 5.871 1.00 0.00 H new ATOM 0 HG2 LYS A 29 8.741 3.321 7.326 1.00 0.00 H new ATOM 0 HG3 LYS A 29 7.609 2.353 8.249 1.00 0.00 H new ATOM 0 HD2 LYS A 29 9.267 1.232 9.392 1.00 0.00 H new ATOM 0 HD3 LYS A 29 10.398 1.303 8.055 1.00 0.00 H new ATOM 0 HE2 LYS A 29 11.114 2.758 9.923 1.00 0.00 H new ATOM 0 HE3 LYS A 29 10.815 3.684 8.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 9.871 4.656 10.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 8.725 4.415 9.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 8.794 3.346 10.623 1.00 0.00 H new ATOM 475 N LEU A 30 7.493 -1.236 4.819 1.00 0.00 N ATOM 476 CA LEU A 30 6.583 -1.733 3.808 1.00 0.00 C ATOM 477 C LEU A 30 5.955 -3.052 4.248 1.00 0.00 C ATOM 478 O LEU A 30 4.977 -3.510 3.666 1.00 0.00 O ATOM 479 CB LEU A 30 7.279 -1.785 2.434 1.00 0.00 C ATOM 480 CG LEU A 30 7.307 -3.108 1.660 1.00 0.00 C ATOM 481 CD1 LEU A 30 7.916 -2.847 0.298 1.00 0.00 C ATOM 482 CD2 LEU A 30 8.119 -4.176 2.379 1.00 0.00 C ATOM 0 H LEU A 30 8.481 -1.406 4.631 1.00 0.00 H new ATOM 0 HA LEU A 30 5.749 -1.041 3.690 1.00 0.00 H new ATOM 0 HB2 LEU A 30 6.801 -1.041 1.796 1.00 0.00 H new ATOM 0 HB3 LEU A 30 8.312 -1.466 2.577 1.00 0.00 H new ATOM 0 HG LEU A 30 6.286 -3.479 1.573 1.00 0.00 H new ATOM 0 HD11 LEU A 30 7.946 -3.776 -0.271 1.00 0.00 H new ATOM 0 HD12 LEU A 30 7.312 -2.114 -0.236 1.00 0.00 H new ATOM 0 HD13 LEU A 30 8.929 -2.463 0.420 1.00 0.00 H new ATOM 0 HD21 LEU A 30 8.110 -5.095 1.793 1.00 0.00 H new ATOM 0 HD22 LEU A 30 9.146 -3.832 2.500 1.00 0.00 H new ATOM 0 HD23 LEU A 30 7.683 -4.366 3.360 1.00 0.00 H new ATOM 494 N GLY A 31 6.499 -3.637 5.306 1.00 0.00 N ATOM 495 CA GLY A 31 5.846 -4.771 5.932 1.00 0.00 C ATOM 496 C GLY A 31 4.523 -4.361 6.556 1.00 0.00 C ATOM 497 O GLY A 31 3.646 -5.194 6.783 1.00 0.00 O ATOM 0 H GLY A 31 7.376 -3.349 5.741 1.00 0.00 H new ATOM 0 HA2 GLY A 31 5.676 -5.552 5.191 1.00 0.00 H new ATOM 0 HA3 GLY A 31 6.497 -5.194 6.697 1.00 0.00 H new ATOM 501 N ARG A 32 4.377 -3.064 6.839 1.00 0.00 N ATOM 502 CA ARG A 32 3.113 -2.542 7.352 1.00 0.00 C ATOM 503 C ARG A 32 2.029 -2.573 6.284 1.00 0.00 C ATOM 504 O ARG A 32 0.894 -2.923 6.577 1.00 0.00 O ATOM 505 CB ARG A 32 3.252 -1.118 7.881 1.00 0.00 C ATOM 506 CG ARG A 32 1.944 -0.529 8.390 1.00 0.00 C ATOM 507 CD ARG A 32 2.083 -0.001 9.806 1.00 0.00 C ATOM 508 NE ARG A 32 2.281 -1.077 10.774 1.00 0.00 N ATOM 509 CZ ARG A 32 1.635 -1.172 11.936 1.00 0.00 C ATOM 510 NH1 ARG A 32 0.755 -0.242 12.295 1.00 0.00 N ATOM 511 NH2 ARG A 32 1.880 -2.198 12.743 1.00 0.00 N ATOM 0 H ARG A 32 5.111 -2.365 6.723 1.00 0.00 H new ATOM 0 HA ARG A 32 2.827 -3.193 8.179 1.00 0.00 H new ATOM 0 HB2 ARG A 32 3.984 -1.109 8.689 1.00 0.00 H new ATOM 0 HB3 ARG A 32 3.644 -0.481 7.088 1.00 0.00 H new ATOM 0 HG2 ARG A 32 1.626 0.278 7.730 1.00 0.00 H new ATOM 0 HG3 ARG A 32 1.165 -1.291 8.360 1.00 0.00 H new ATOM 0 HD2 ARG A 32 2.925 0.690 9.854 1.00 0.00 H new ATOM 0 HD3 ARG A 32 1.190 0.565 10.071 1.00 0.00 H new ATOM 0 HE ARG A 32 2.959 -1.804 10.545 1.00 0.00 H new ATOM 0 HH11 ARG A 32 0.571 0.550 11.680 1.00 0.00 H new ATOM 0 HH12 ARG A 32 0.264 -0.321 13.186 1.00 0.00 H new ATOM 0 HH21 ARG A 32 2.560 -2.909 12.472 1.00 0.00 H new ATOM 0 HH22 ARG A 32 1.388 -2.275 13.633 1.00 0.00 H new ATOM 525 N VAL A 33 2.364 -2.202 5.051 1.00 0.00 N ATOM 526 CA VAL A 33 1.375 -2.235 3.975 1.00 0.00 C ATOM 527 C VAL A 33 0.896 -3.654 3.746 1.00 0.00 C ATOM 528 O VAL A 33 -0.301 -3.895 3.664 1.00 0.00 O ATOM 529 CB VAL A 33 1.875 -1.627 2.643 1.00 0.00 C ATOM 530 CG1 VAL A 33 1.153 -0.328 2.370 1.00 0.00 C ATOM 531 CG2 VAL A 33 3.363 -1.367 2.644 1.00 0.00 C ATOM 0 H VAL A 33 3.292 -1.881 4.774 1.00 0.00 H new ATOM 0 HA VAL A 33 0.550 -1.606 4.308 1.00 0.00 H new ATOM 0 HB VAL A 33 1.664 -2.359 1.863 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.509 0.096 1.431 1.00 0.00 H new ATOM 0 HG12 VAL A 33 0.081 -0.515 2.301 1.00 0.00 H new ATOM 0 HG13 VAL A 33 1.347 0.374 3.181 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.659 -0.941 1.685 1.00 0.00 H new ATOM 0 HG22 VAL A 33 3.610 -0.668 3.443 1.00 0.00 H new ATOM 0 HG23 VAL A 33 3.896 -2.304 2.804 1.00 0.00 H new ATOM 541 N VAL A 34 1.832 -4.587 3.658 1.00 0.00 N ATOM 542 CA VAL A 34 1.495 -6.017 3.636 1.00 0.00 C ATOM 543 C VAL A 34 0.573 -6.362 4.816 1.00 0.00 C ATOM 544 O VAL A 34 -0.404 -7.082 4.649 1.00 0.00 O ATOM 545 CB VAL A 34 2.761 -6.933 3.665 1.00 0.00 C ATOM 546 CG1 VAL A 34 4.006 -6.181 3.249 1.00 0.00 C ATOM 547 CG2 VAL A 34 2.963 -7.606 5.015 1.00 0.00 C ATOM 0 H VAL A 34 2.831 -4.388 3.600 1.00 0.00 H new ATOM 0 HA VAL A 34 0.979 -6.208 2.695 1.00 0.00 H new ATOM 0 HB VAL A 34 2.582 -7.722 2.935 1.00 0.00 H new ATOM 0 HG11 VAL A 34 4.864 -6.852 3.282 1.00 0.00 H new ATOM 0 HG12 VAL A 34 3.880 -5.802 2.235 1.00 0.00 H new ATOM 0 HG13 VAL A 34 4.171 -5.346 3.930 1.00 0.00 H new ATOM 0 HG21 VAL A 34 3.856 -8.230 4.980 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.082 -6.845 5.787 1.00 0.00 H new ATOM 0 HG23 VAL A 34 2.096 -8.225 5.246 1.00 0.00 H new ATOM 557 N HIS A 35 0.876 -5.815 5.996 1.00 0.00 N ATOM 558 CA HIS A 35 0.074 -6.055 7.196 1.00 0.00 C ATOM 559 C HIS A 35 -1.331 -5.490 7.022 1.00 0.00 C ATOM 560 O HIS A 35 -2.316 -6.194 7.226 1.00 0.00 O ATOM 561 CB HIS A 35 0.756 -5.431 8.427 1.00 0.00 C ATOM 562 CG HIS A 35 -0.033 -5.533 9.703 1.00 0.00 C ATOM 563 ND1 HIS A 35 0.133 -6.550 10.615 1.00 0.00 N ATOM 564 CD2 HIS A 35 -0.986 -4.721 10.223 1.00 0.00 C ATOM 565 CE1 HIS A 35 -0.680 -6.363 11.636 1.00 0.00 C ATOM 566 NE2 HIS A 35 -1.372 -5.260 11.424 1.00 0.00 N ATOM 0 H HIS A 35 1.676 -5.200 6.145 1.00 0.00 H new ATOM 0 HA HIS A 35 -0.005 -7.131 7.350 1.00 0.00 H new ATOM 0 HB2 HIS A 35 1.722 -5.914 8.574 1.00 0.00 H new ATOM 0 HB3 HIS A 35 0.954 -4.379 8.221 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -1.370 -3.817 9.775 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -0.765 -7.005 12.500 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -2.078 -4.872 12.050 1.00 0.00 H new ATOM 575 N ILE A 36 -1.408 -4.220 6.649 1.00 0.00 N ATOM 576 CA ILE A 36 -2.685 -3.552 6.430 1.00 0.00 C ATOM 577 C ILE A 36 -3.489 -4.292 5.375 1.00 0.00 C ATOM 578 O ILE A 36 -4.664 -4.584 5.556 1.00 0.00 O ATOM 579 CB ILE A 36 -2.486 -2.092 5.964 1.00 0.00 C ATOM 580 CG1 ILE A 36 -1.684 -1.318 7.015 1.00 0.00 C ATOM 581 CG2 ILE A 36 -3.840 -1.438 5.714 1.00 0.00 C ATOM 582 CD1 ILE A 36 -1.133 0.004 6.534 1.00 0.00 C ATOM 0 H ILE A 36 -0.594 -3.627 6.490 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.219 -3.551 7.380 1.00 0.00 H new ATOM 0 HB ILE A 36 -1.926 -2.080 5.029 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.322 -1.138 7.880 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -0.856 -1.941 7.353 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.692 -0.409 5.386 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.375 -1.992 4.942 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.423 -1.445 6.635 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -0.580 0.483 7.342 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -0.466 -0.166 5.689 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -1.955 0.650 6.224 1.00 0.00 H new ATOM 594 N ILE A 37 -2.821 -4.602 4.286 1.00 0.00 N ATOM 595 CA ILE A 37 -3.427 -5.293 3.171 1.00 0.00 C ATOM 596 C ILE A 37 -3.903 -6.693 3.569 1.00 0.00 C ATOM 597 O ILE A 37 -5.085 -6.952 3.538 1.00 0.00 O ATOM 598 CB ILE A 37 -2.439 -5.337 1.999 1.00 0.00 C ATOM 599 CG1 ILE A 37 -2.376 -3.975 1.322 1.00 0.00 C ATOM 600 CG2 ILE A 37 -2.810 -6.414 1.007 1.00 0.00 C ATOM 601 CD1 ILE A 37 -1.108 -3.756 0.551 1.00 0.00 C ATOM 0 H ILE A 37 -1.835 -4.380 4.149 1.00 0.00 H new ATOM 0 HA ILE A 37 -4.315 -4.745 2.856 1.00 0.00 H new ATOM 0 HB ILE A 37 -1.452 -5.582 2.391 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -3.226 -3.872 0.647 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -2.473 -3.196 2.078 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -2.090 -6.419 0.189 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -2.802 -7.384 1.503 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -3.807 -6.217 0.612 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -1.127 -2.767 0.093 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -0.255 -3.828 1.226 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -1.020 -4.514 -0.227 1.00 0.00 H new ATOM 613 N GLN A 38 -2.995 -7.576 3.969 1.00 0.00 N ATOM 614 CA GLN A 38 -3.368 -8.941 4.384 1.00 0.00 C ATOM 615 C GLN A 38 -4.498 -8.942 5.421 1.00 0.00 C ATOM 616 O GLN A 38 -5.367 -9.812 5.398 1.00 0.00 O ATOM 617 CB GLN A 38 -2.175 -9.683 4.994 1.00 0.00 C ATOM 618 CG GLN A 38 -1.043 -9.976 4.033 1.00 0.00 C ATOM 619 CD GLN A 38 0.088 -10.734 4.700 1.00 0.00 C ATOM 620 OE1 GLN A 38 1.256 -10.547 4.372 1.00 0.00 O ATOM 621 NE2 GLN A 38 -0.252 -11.606 5.638 1.00 0.00 N ATOM 0 H GLN A 38 -1.995 -7.380 4.018 1.00 0.00 H new ATOM 0 HA GLN A 38 -3.705 -9.444 3.478 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -1.784 -9.092 5.822 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -2.528 -10.625 5.413 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -1.422 -10.557 3.193 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -0.661 -9.039 3.626 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -1.234 -11.734 5.884 1.00 0.00 H new ATOM 0 HE22 GLN A 38 0.468 -12.149 6.114 1.00 0.00 H new ATOM 630 N SER A 39 -4.469 -7.985 6.344 1.00 0.00 N ATOM 631 CA SER A 39 -5.462 -7.930 7.414 1.00 0.00 C ATOM 632 C SER A 39 -6.811 -7.438 6.894 1.00 0.00 C ATOM 633 O SER A 39 -7.854 -8.022 7.193 1.00 0.00 O ATOM 634 CB SER A 39 -4.971 -7.028 8.550 1.00 0.00 C ATOM 635 OG SER A 39 -4.784 -5.693 8.115 1.00 0.00 O ATOM 0 H SER A 39 -3.773 -7.240 6.374 1.00 0.00 H new ATOM 0 HA SER A 39 -5.598 -8.941 7.797 1.00 0.00 H new ATOM 0 HB2 SER A 39 -5.692 -7.047 9.367 1.00 0.00 H new ATOM 0 HB3 SER A 39 -4.032 -7.417 8.944 1.00 0.00 H new ATOM 0 HG SER A 39 -3.940 -5.625 7.622 1.00 0.00 H new ATOM 641 N ARG A 40 -6.782 -6.362 6.115 1.00 0.00 N ATOM 642 CA ARG A 40 -7.999 -5.783 5.558 1.00 0.00 C ATOM 643 C ARG A 40 -8.477 -6.593 4.363 1.00 0.00 C ATOM 644 O ARG A 40 -9.635 -6.508 3.960 1.00 0.00 O ATOM 645 CB ARG A 40 -7.756 -4.316 5.184 1.00 0.00 C ATOM 646 CG ARG A 40 -7.449 -3.477 6.400 1.00 0.00 C ATOM 647 CD ARG A 40 -7.191 -2.029 6.060 1.00 0.00 C ATOM 648 NE ARG A 40 -8.431 -1.258 6.051 1.00 0.00 N ATOM 649 CZ ARG A 40 -8.604 -0.125 6.731 1.00 0.00 C ATOM 650 NH1 ARG A 40 -7.577 0.446 7.354 1.00 0.00 N ATOM 651 NH2 ARG A 40 -9.803 0.440 6.795 1.00 0.00 N ATOM 0 H ARG A 40 -5.926 -5.872 5.854 1.00 0.00 H new ATOM 0 HA ARG A 40 -8.787 -5.814 6.310 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -6.928 -4.252 4.478 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -8.636 -3.918 4.679 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -8.283 -3.539 7.099 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -6.577 -3.887 6.908 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -6.499 -1.601 6.785 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -6.711 -1.962 5.083 1.00 0.00 H new ATOM 0 HE ARG A 40 -9.210 -1.607 5.492 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -6.653 0.017 7.312 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -7.714 1.313 7.873 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -10.597 0.007 6.323 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -9.931 1.307 7.317 1.00 0.00 H new ATOM 665 N GLU A 41 -7.576 -7.390 3.822 1.00 0.00 N ATOM 666 CA GLU A 41 -7.873 -8.276 2.711 1.00 0.00 C ATOM 667 C GLU A 41 -7.550 -9.715 3.094 1.00 0.00 C ATOM 668 O GLU A 41 -6.555 -10.272 2.629 1.00 0.00 O ATOM 669 CB GLU A 41 -7.027 -7.912 1.497 1.00 0.00 C ATOM 670 CG GLU A 41 -6.941 -6.428 1.208 1.00 0.00 C ATOM 671 CD GLU A 41 -8.242 -5.835 0.684 1.00 0.00 C ATOM 672 OE1 GLU A 41 -9.084 -6.601 0.160 1.00 0.00 O ATOM 673 OE2 GLU A 41 -8.431 -4.600 0.804 1.00 0.00 O ATOM 0 H GLU A 41 -6.609 -7.442 4.143 1.00 0.00 H new ATOM 0 HA GLU A 41 -8.931 -8.172 2.471 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -6.019 -8.299 1.645 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -7.437 -8.416 0.621 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -6.654 -5.904 2.120 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -6.151 -6.253 0.478 1.00 0.00 H new ATOM 680 N PRO A 42 -8.379 -10.353 3.931 1.00 0.00 N ATOM 681 CA PRO A 42 -8.116 -11.717 4.392 1.00 0.00 C ATOM 682 C PRO A 42 -8.148 -12.722 3.242 1.00 0.00 C ATOM 683 O PRO A 42 -7.773 -13.883 3.403 1.00 0.00 O ATOM 684 CB PRO A 42 -9.249 -11.998 5.391 1.00 0.00 C ATOM 685 CG PRO A 42 -9.825 -10.662 5.718 1.00 0.00 C ATOM 686 CD PRO A 42 -9.623 -9.814 4.496 1.00 0.00 C ATOM 0 HA PRO A 42 -7.124 -11.813 4.834 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -10.002 -12.656 4.957 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -8.871 -12.493 6.285 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -10.883 -10.743 5.966 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -9.328 -10.224 6.583 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -10.456 -9.903 3.799 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -9.529 -8.758 4.747 1.00 0.00 H new ATOM 694 N SER A 43 -8.594 -12.260 2.081 1.00 0.00 N ATOM 695 CA SER A 43 -8.604 -13.073 0.877 1.00 0.00 C ATOM 696 C SER A 43 -7.179 -13.365 0.411 1.00 0.00 C ATOM 697 O SER A 43 -6.938 -14.339 -0.300 1.00 0.00 O ATOM 698 CB SER A 43 -9.372 -12.352 -0.231 1.00 0.00 C ATOM 699 OG SER A 43 -10.659 -11.954 0.217 1.00 0.00 O ATOM 0 H SER A 43 -8.957 -11.316 1.950 1.00 0.00 H new ATOM 0 HA SER A 43 -9.096 -14.019 1.103 1.00 0.00 H new ATOM 0 HB2 SER A 43 -8.810 -11.477 -0.557 1.00 0.00 H new ATOM 0 HB3 SER A 43 -9.471 -13.008 -1.096 1.00 0.00 H new ATOM 0 HG SER A 43 -11.130 -11.494 -0.509 1.00 0.00 H new ATOM 705 N LEU A 44 -6.236 -12.520 0.815 1.00 0.00 N ATOM 706 CA LEU A 44 -4.845 -12.695 0.424 1.00 0.00 C ATOM 707 C LEU A 44 -3.965 -12.995 1.635 1.00 0.00 C ATOM 708 O LEU A 44 -2.752 -12.796 1.599 1.00 0.00 O ATOM 709 CB LEU A 44 -4.341 -11.462 -0.351 1.00 0.00 C ATOM 710 CG LEU A 44 -4.432 -10.115 0.346 1.00 0.00 C ATOM 711 CD1 LEU A 44 -3.124 -9.785 1.028 1.00 0.00 C ATOM 712 CD2 LEU A 44 -4.794 -9.034 -0.660 1.00 0.00 C ATOM 0 H LEU A 44 -6.410 -11.711 1.411 1.00 0.00 H new ATOM 0 HA LEU A 44 -4.783 -13.556 -0.241 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -3.298 -11.634 -0.617 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -4.902 -11.398 -1.284 1.00 0.00 H new ATOM 0 HG LEU A 44 -5.212 -10.164 1.106 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -3.206 -8.817 1.523 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.896 -10.552 1.768 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.326 -9.747 0.286 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -4.857 -8.071 -0.153 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -4.028 -8.986 -1.434 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -5.756 -9.268 -1.115 1.00 0.00 H new ATOM 724 N LYS A 45 -4.579 -13.517 2.695 1.00 0.00 N ATOM 725 CA LYS A 45 -3.849 -13.857 3.917 1.00 0.00 C ATOM 726 C LYS A 45 -2.885 -15.016 3.668 1.00 0.00 C ATOM 727 O LYS A 45 -1.959 -15.247 4.448 1.00 0.00 O ATOM 728 CB LYS A 45 -4.816 -14.230 5.046 1.00 0.00 C ATOM 729 CG LYS A 45 -5.591 -15.512 4.789 1.00 0.00 C ATOM 730 CD LYS A 45 -6.464 -15.882 5.966 1.00 0.00 C ATOM 731 CE LYS A 45 -5.717 -16.827 6.880 1.00 0.00 C ATOM 732 NZ LYS A 45 -6.338 -16.920 8.225 1.00 0.00 N ATOM 0 H LYS A 45 -5.579 -13.714 2.734 1.00 0.00 H new ATOM 0 HA LYS A 45 -3.279 -12.977 4.216 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -4.254 -14.336 5.974 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -5.522 -13.412 5.193 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -6.210 -15.391 3.900 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -4.894 -16.324 4.583 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -6.753 -14.984 6.513 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -7.383 -16.351 5.615 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -5.686 -17.818 6.427 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -4.685 -16.491 6.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -5.791 -17.579 8.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -6.344 -15.980 8.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -7.314 -17.266 8.133 1.00 0.00 H new ATOM 746 N ASN A 46 -3.121 -15.756 2.587 1.00 0.00 N ATOM 747 CA ASN A 46 -2.252 -16.866 2.210 1.00 0.00 C ATOM 748 C ASN A 46 -0.891 -16.349 1.744 1.00 0.00 C ATOM 749 O ASN A 46 0.108 -17.064 1.806 1.00 0.00 O ATOM 750 CB ASN A 46 -2.917 -17.700 1.108 1.00 0.00 C ATOM 751 CG ASN A 46 -2.122 -18.940 0.738 1.00 0.00 C ATOM 752 OD1 ASN A 46 -2.267 -19.991 1.364 1.00 0.00 O ATOM 753 ND2 ASN A 46 -1.296 -18.836 -0.290 1.00 0.00 N ATOM 0 H ASN A 46 -3.908 -15.606 1.956 1.00 0.00 H new ATOM 0 HA ASN A 46 -2.094 -17.499 3.083 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -3.912 -17.999 1.437 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -3.047 -17.081 0.220 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -0.751 -19.644 -0.590 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -1.204 -17.948 -0.783 1.00 0.00 H new ATOM 760 N SER A 47 -0.858 -15.099 1.300 1.00 0.00 N ATOM 761 CA SER A 47 0.375 -14.488 0.821 1.00 0.00 C ATOM 762 C SER A 47 1.307 -14.155 1.984 1.00 0.00 C ATOM 763 O SER A 47 0.865 -13.685 3.033 1.00 0.00 O ATOM 764 CB SER A 47 0.064 -13.227 0.014 1.00 0.00 C ATOM 765 OG SER A 47 -0.632 -13.543 -1.178 1.00 0.00 O ATOM 0 H SER A 47 -1.673 -14.487 1.262 1.00 0.00 H new ATOM 0 HA SER A 47 0.880 -15.205 0.174 1.00 0.00 H new ATOM 0 HB2 SER A 47 -0.534 -12.544 0.617 1.00 0.00 H new ATOM 0 HB3 SER A 47 0.992 -12.709 -0.229 1.00 0.00 H new ATOM 0 HG SER A 47 -0.820 -12.720 -1.675 1.00 0.00 H new ATOM 771 N ASN A 48 2.595 -14.406 1.788 1.00 0.00 N ATOM 772 CA ASN A 48 3.594 -14.187 2.827 1.00 0.00 C ATOM 773 C ASN A 48 3.895 -12.700 2.961 1.00 0.00 C ATOM 774 O ASN A 48 3.923 -11.972 1.972 1.00 0.00 O ATOM 775 CB ASN A 48 4.891 -14.938 2.504 1.00 0.00 C ATOM 776 CG ASN A 48 4.709 -16.448 2.375 1.00 0.00 C ATOM 777 OD1 ASN A 48 3.736 -16.921 1.793 1.00 0.00 O ATOM 778 ND2 ASN A 48 5.631 -17.228 2.939 1.00 0.00 N ATOM 0 H ASN A 48 2.975 -14.764 0.912 1.00 0.00 H new ATOM 0 HA ASN A 48 3.191 -14.565 3.766 1.00 0.00 H new ATOM 0 HB2 ASN A 48 5.303 -14.550 1.573 1.00 0.00 H new ATOM 0 HB3 ASN A 48 5.623 -14.734 3.286 1.00 0.00 H new ATOM 0 HD21 ASN A 48 5.538 -18.243 2.893 1.00 0.00 H new ATOM 0 HD22 ASN A 48 6.430 -16.810 3.416 1.00 0.00 H new ATOM 785 N PRO A 49 4.144 -12.242 4.200 1.00 0.00 N ATOM 786 CA PRO A 49 4.337 -10.818 4.516 1.00 0.00 C ATOM 787 C PRO A 49 5.540 -10.186 3.821 1.00 0.00 C ATOM 788 O PRO A 49 5.563 -8.982 3.583 1.00 0.00 O ATOM 789 CB PRO A 49 4.549 -10.807 6.033 1.00 0.00 C ATOM 790 CG PRO A 49 4.948 -12.195 6.383 1.00 0.00 C ATOM 791 CD PRO A 49 4.236 -13.082 5.407 1.00 0.00 C ATOM 0 HA PRO A 49 3.484 -10.232 4.173 1.00 0.00 H new ATOM 0 HB2 PRO A 49 5.321 -10.092 6.317 1.00 0.00 H new ATOM 0 HB3 PRO A 49 3.638 -10.516 6.555 1.00 0.00 H new ATOM 0 HG2 PRO A 49 6.028 -12.322 6.311 1.00 0.00 H new ATOM 0 HG3 PRO A 49 4.667 -12.436 7.408 1.00 0.00 H new ATOM 0 HD2 PRO A 49 4.791 -14.001 5.218 1.00 0.00 H new ATOM 0 HD3 PRO A 49 3.251 -13.374 5.771 1.00 0.00 H new ATOM 799 N ASP A 50 6.540 -10.992 3.506 1.00 0.00 N ATOM 800 CA ASP A 50 7.756 -10.487 2.873 1.00 0.00 C ATOM 801 C ASP A 50 7.669 -10.652 1.371 1.00 0.00 C ATOM 802 O ASP A 50 8.551 -10.222 0.629 1.00 0.00 O ATOM 803 CB ASP A 50 8.981 -11.250 3.401 1.00 0.00 C ATOM 804 CG ASP A 50 9.069 -12.657 2.856 1.00 0.00 C ATOM 805 OD1 ASP A 50 8.144 -13.454 3.125 1.00 0.00 O ATOM 806 OD2 ASP A 50 10.078 -12.981 2.194 1.00 0.00 O ATOM 0 H ASP A 50 6.538 -11.998 3.676 1.00 0.00 H new ATOM 0 HA ASP A 50 7.859 -9.429 3.113 1.00 0.00 H new ATOM 0 HB2 ASP A 50 9.886 -10.704 3.136 1.00 0.00 H new ATOM 0 HB3 ASP A 50 8.939 -11.288 4.490 1.00 0.00 H new ATOM 811 N GLU A 51 6.594 -11.273 0.930 1.00 0.00 N ATOM 812 CA GLU A 51 6.419 -11.593 -0.459 1.00 0.00 C ATOM 813 C GLU A 51 5.023 -11.202 -0.912 1.00 0.00 C ATOM 814 O GLU A 51 4.452 -11.812 -1.820 1.00 0.00 O ATOM 815 CB GLU A 51 6.649 -13.080 -0.660 1.00 0.00 C ATOM 816 CG GLU A 51 8.112 -13.493 -0.586 1.00 0.00 C ATOM 817 CD GLU A 51 8.311 -14.958 -0.915 1.00 0.00 C ATOM 818 OE1 GLU A 51 7.994 -15.357 -2.056 1.00 0.00 O ATOM 819 OE2 GLU A 51 8.794 -15.719 -0.049 1.00 0.00 O ATOM 0 H GLU A 51 5.822 -11.567 1.529 1.00 0.00 H new ATOM 0 HA GLU A 51 7.140 -11.036 -1.058 1.00 0.00 H new ATOM 0 HB2 GLU A 51 6.088 -13.630 0.095 1.00 0.00 H new ATOM 0 HB3 GLU A 51 6.248 -13.372 -1.631 1.00 0.00 H new ATOM 0 HG2 GLU A 51 8.695 -12.885 -1.278 1.00 0.00 H new ATOM 0 HG3 GLU A 51 8.494 -13.292 0.415 1.00 0.00 H new ATOM 826 N ILE A 52 4.471 -10.192 -0.257 1.00 0.00 N ATOM 827 CA ILE A 52 3.110 -9.764 -0.513 1.00 0.00 C ATOM 828 C ILE A 52 2.977 -9.180 -1.909 1.00 0.00 C ATOM 829 O ILE A 52 3.938 -8.681 -2.492 1.00 0.00 O ATOM 830 CB ILE A 52 2.624 -8.757 0.559 1.00 0.00 C ATOM 831 CG1 ILE A 52 1.126 -8.909 0.790 1.00 0.00 C ATOM 832 CG2 ILE A 52 2.932 -7.330 0.159 1.00 0.00 C ATOM 833 CD1 ILE A 52 0.734 -10.279 1.243 1.00 0.00 C ATOM 0 H ILE A 52 4.952 -9.651 0.462 1.00 0.00 H new ATOM 0 HA ILE A 52 2.470 -10.644 -0.453 1.00 0.00 H new ATOM 0 HB ILE A 52 3.159 -8.978 1.483 1.00 0.00 H new ATOM 0 HG12 ILE A 52 0.805 -8.181 1.535 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.597 -8.674 -0.134 1.00 0.00 H new ATOM 0 HG21 ILE A 52 2.577 -6.650 0.934 1.00 0.00 H new ATOM 0 HG22 ILE A 52 4.009 -7.211 0.037 1.00 0.00 H new ATOM 0 HG23 ILE A 52 2.432 -7.100 -0.782 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -0.345 -10.319 1.389 1.00 0.00 H new ATOM 0 HD12 ILE A 52 1.025 -11.009 0.488 1.00 0.00 H new ATOM 0 HD13 ILE A 52 1.236 -10.509 2.183 1.00 0.00 H new ATOM 845 N GLU A 53 1.791 -9.294 -2.452 1.00 0.00 N ATOM 846 CA GLU A 53 1.494 -8.744 -3.762 1.00 0.00 C ATOM 847 C GLU A 53 0.361 -7.743 -3.588 1.00 0.00 C ATOM 848 O GLU A 53 -0.808 -8.120 -3.497 1.00 0.00 O ATOM 849 CB GLU A 53 1.133 -9.898 -4.733 1.00 0.00 C ATOM 850 CG GLU A 53 1.075 -9.544 -6.220 1.00 0.00 C ATOM 851 CD GLU A 53 -0.218 -8.872 -6.638 1.00 0.00 C ATOM 852 OE1 GLU A 53 -1.250 -9.580 -6.744 1.00 0.00 O ATOM 853 OE2 GLU A 53 -0.204 -7.657 -6.895 1.00 0.00 O ATOM 0 H GLU A 53 1.005 -9.767 -2.006 1.00 0.00 H new ATOM 0 HA GLU A 53 2.351 -8.228 -4.195 1.00 0.00 H new ATOM 0 HB2 GLU A 53 1.863 -10.697 -4.600 1.00 0.00 H new ATOM 0 HB3 GLU A 53 0.163 -10.300 -4.440 1.00 0.00 H new ATOM 0 HG2 GLU A 53 1.910 -8.886 -6.460 1.00 0.00 H new ATOM 0 HG3 GLU A 53 1.207 -10.453 -6.806 1.00 0.00 H new ATOM 860 N ILE A 54 0.724 -6.468 -3.469 1.00 0.00 N ATOM 861 CA ILE A 54 -0.243 -5.411 -3.293 1.00 0.00 C ATOM 862 C ILE A 54 -1.019 -5.193 -4.590 1.00 0.00 C ATOM 863 O ILE A 54 -0.495 -4.622 -5.555 1.00 0.00 O ATOM 864 CB ILE A 54 0.455 -4.094 -2.899 1.00 0.00 C ATOM 865 CG1 ILE A 54 1.351 -4.284 -1.671 1.00 0.00 C ATOM 866 CG2 ILE A 54 -0.570 -3.012 -2.647 1.00 0.00 C ATOM 867 CD1 ILE A 54 1.949 -2.984 -1.172 1.00 0.00 C ATOM 0 H ILE A 54 1.693 -6.150 -3.493 1.00 0.00 H new ATOM 0 HA ILE A 54 -0.927 -5.705 -2.497 1.00 0.00 H new ATOM 0 HB ILE A 54 1.091 -3.788 -3.730 1.00 0.00 H new ATOM 0 HG12 ILE A 54 0.770 -4.742 -0.871 1.00 0.00 H new ATOM 0 HG13 ILE A 54 2.155 -4.977 -1.918 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -0.063 -2.088 -2.370 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -1.155 -2.847 -3.552 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -1.232 -3.319 -1.838 1.00 0.00 H new ATOM 0 HD11 ILE A 54 2.574 -3.182 -0.301 1.00 0.00 H new ATOM 0 HD12 ILE A 54 2.555 -2.536 -1.960 1.00 0.00 H new ATOM 0 HD13 ILE A 54 1.149 -2.298 -0.896 1.00 0.00 H new ATOM 879 N ASP A 55 -2.254 -5.663 -4.613 1.00 0.00 N ATOM 880 CA ASP A 55 -3.110 -5.496 -5.777 1.00 0.00 C ATOM 881 C ASP A 55 -4.122 -4.398 -5.511 1.00 0.00 C ATOM 882 O ASP A 55 -5.127 -4.614 -4.836 1.00 0.00 O ATOM 883 CB ASP A 55 -3.835 -6.798 -6.118 1.00 0.00 C ATOM 884 CG ASP A 55 -4.715 -6.652 -7.342 1.00 0.00 C ATOM 885 OD1 ASP A 55 -5.853 -6.170 -7.205 1.00 0.00 O ATOM 886 OD2 ASP A 55 -4.274 -7.021 -8.449 1.00 0.00 O ATOM 0 H ASP A 55 -2.688 -6.164 -3.838 1.00 0.00 H new ATOM 0 HA ASP A 55 -2.485 -5.222 -6.627 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -3.103 -7.587 -6.290 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -4.444 -7.108 -5.268 1.00 0.00 H new ATOM 891 N PHE A 56 -3.860 -3.227 -6.060 1.00 0.00 N ATOM 892 CA PHE A 56 -4.633 -2.036 -5.742 1.00 0.00 C ATOM 893 C PHE A 56 -6.041 -2.072 -6.328 1.00 0.00 C ATOM 894 O PHE A 56 -6.858 -1.204 -6.032 1.00 0.00 O ATOM 895 CB PHE A 56 -3.888 -0.800 -6.220 1.00 0.00 C ATOM 896 CG PHE A 56 -2.540 -0.659 -5.581 1.00 0.00 C ATOM 897 CD1 PHE A 56 -2.427 -0.111 -4.323 1.00 0.00 C ATOM 898 CD2 PHE A 56 -1.393 -1.082 -6.222 1.00 0.00 C ATOM 899 CE1 PHE A 56 -1.215 0.022 -3.708 1.00 0.00 C ATOM 900 CE2 PHE A 56 -0.163 -0.953 -5.610 1.00 0.00 C ATOM 901 CZ PHE A 56 -0.078 -0.396 -4.348 1.00 0.00 C ATOM 0 H PHE A 56 -3.111 -3.072 -6.735 1.00 0.00 H new ATOM 0 HA PHE A 56 -4.749 -2.002 -4.659 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -3.770 -0.847 -7.303 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -4.484 0.086 -6.002 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -3.318 0.221 -3.811 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -1.459 -1.517 -7.209 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -1.153 0.455 -2.721 1.00 0.00 H new ATOM 0 HE2 PHE A 56 0.731 -1.286 -6.116 1.00 0.00 H new ATOM 0 HZ PHE A 56 0.883 -0.290 -3.867 1.00 0.00 H new ATOM 911 N GLU A 57 -6.325 -3.073 -7.143 1.00 0.00 N ATOM 912 CA GLU A 57 -7.652 -3.228 -7.714 1.00 0.00 C ATOM 913 C GLU A 57 -8.554 -3.991 -6.757 1.00 0.00 C ATOM 914 O GLU A 57 -9.741 -3.684 -6.628 1.00 0.00 O ATOM 915 CB GLU A 57 -7.567 -3.944 -9.058 1.00 0.00 C ATOM 916 CG GLU A 57 -6.944 -3.093 -10.149 1.00 0.00 C ATOM 917 CD GLU A 57 -7.760 -1.854 -10.464 1.00 0.00 C ATOM 918 OE1 GLU A 57 -7.668 -0.861 -9.715 1.00 0.00 O ATOM 919 OE2 GLU A 57 -8.490 -1.860 -11.476 1.00 0.00 O ATOM 0 H GLU A 57 -5.656 -3.790 -7.424 1.00 0.00 H new ATOM 0 HA GLU A 57 -8.082 -2.239 -7.875 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -6.983 -4.857 -8.940 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -8.568 -4.244 -9.367 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -5.941 -2.794 -9.843 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -6.836 -3.691 -11.054 1.00 0.00 H new ATOM 926 N THR A 58 -7.986 -4.978 -6.082 1.00 0.00 N ATOM 927 CA THR A 58 -8.733 -5.765 -5.120 1.00 0.00 C ATOM 928 C THR A 58 -8.728 -5.094 -3.751 1.00 0.00 C ATOM 929 O THR A 58 -9.673 -5.248 -2.977 1.00 0.00 O ATOM 930 CB THR A 58 -8.177 -7.200 -5.016 1.00 0.00 C ATOM 931 OG1 THR A 58 -6.755 -7.167 -4.845 1.00 0.00 O ATOM 932 CG2 THR A 58 -8.520 -8.001 -6.263 1.00 0.00 C ATOM 0 H THR A 58 -7.009 -5.252 -6.184 1.00 0.00 H new ATOM 0 HA THR A 58 -9.762 -5.826 -5.474 1.00 0.00 H new ATOM 0 HB THR A 58 -8.635 -7.681 -4.151 1.00 0.00 H new ATOM 0 HG1 THR A 58 -6.412 -8.083 -4.779 1.00 0.00 H new ATOM 0 HG21 THR A 58 -8.119 -9.010 -6.169 1.00 0.00 H new ATOM 0 HG22 THR A 58 -9.603 -8.050 -6.377 1.00 0.00 H new ATOM 0 HG23 THR A 58 -8.085 -7.517 -7.137 1.00 0.00 H new ATOM 940 N LEU A 59 -7.670 -4.334 -3.464 1.00 0.00 N ATOM 941 CA LEU A 59 -7.594 -3.567 -2.227 1.00 0.00 C ATOM 942 C LEU A 59 -8.764 -2.607 -2.123 1.00 0.00 C ATOM 943 O LEU A 59 -9.020 -1.820 -3.037 1.00 0.00 O ATOM 944 CB LEU A 59 -6.287 -2.803 -2.149 1.00 0.00 C ATOM 945 CG LEU A 59 -5.058 -3.688 -2.099 1.00 0.00 C ATOM 946 CD1 LEU A 59 -3.810 -2.859 -1.950 1.00 0.00 C ATOM 947 CD2 LEU A 59 -5.181 -4.691 -0.971 1.00 0.00 C ATOM 0 H LEU A 59 -6.857 -4.235 -4.072 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.638 -4.266 -1.392 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -6.212 -2.143 -3.013 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.301 -2.168 -1.263 1.00 0.00 H new ATOM 0 HG LEU A 59 -4.985 -4.235 -3.039 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -2.940 -3.514 -1.916 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.721 -2.180 -2.798 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.865 -2.281 -1.027 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -4.292 -5.321 -0.946 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -5.278 -4.162 -0.023 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -6.062 -5.313 -1.132 1.00 0.00 H new ATOM 959 N LYS A 60 -9.482 -2.698 -1.020 1.00 0.00 N ATOM 960 CA LYS A 60 -10.636 -1.849 -0.783 1.00 0.00 C ATOM 961 C LYS A 60 -10.201 -0.408 -0.548 1.00 0.00 C ATOM 962 O LYS A 60 -9.103 -0.184 -0.034 1.00 0.00 O ATOM 963 CB LYS A 60 -11.427 -2.383 0.412 1.00 0.00 C ATOM 964 CG LYS A 60 -12.179 -3.660 0.093 1.00 0.00 C ATOM 965 CD LYS A 60 -12.725 -4.347 1.333 1.00 0.00 C ATOM 966 CE LYS A 60 -11.615 -4.996 2.140 1.00 0.00 C ATOM 967 NZ LYS A 60 -12.146 -5.904 3.190 1.00 0.00 N ATOM 0 H LYS A 60 -9.285 -3.357 -0.267 1.00 0.00 H new ATOM 0 HA LYS A 60 -11.278 -1.863 -1.664 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -10.744 -2.566 1.242 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -12.134 -1.623 0.743 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -13.003 -3.432 -0.583 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -11.515 -4.345 -0.434 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -13.250 -3.620 1.952 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -13.454 -5.103 1.041 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -10.962 -5.558 1.472 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -11.005 -4.222 2.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -11.360 -6.428 3.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -12.635 -5.345 3.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -12.815 -6.576 2.762 1.00 0.00 H new ATOM 981 N PRO A 61 -11.021 0.584 -0.952 1.00 0.00 N ATOM 982 CA PRO A 61 -10.689 2.000 -0.790 1.00 0.00 C ATOM 983 C PRO A 61 -10.082 2.314 0.574 1.00 0.00 C ATOM 984 O PRO A 61 -9.092 3.042 0.667 1.00 0.00 O ATOM 985 CB PRO A 61 -12.035 2.699 -0.956 1.00 0.00 C ATOM 986 CG PRO A 61 -12.813 1.816 -1.861 1.00 0.00 C ATOM 987 CD PRO A 61 -12.319 0.405 -1.630 1.00 0.00 C ATOM 0 HA PRO A 61 -9.934 2.323 -1.507 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -12.537 2.823 0.003 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -11.914 3.694 -1.383 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -13.880 1.891 -1.650 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -12.672 2.109 -2.901 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -13.015 -0.165 -1.014 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -12.207 -0.137 -2.569 1.00 0.00 H new ATOM 995 N SER A 62 -10.655 1.733 1.621 1.00 0.00 N ATOM 996 CA SER A 62 -10.168 1.933 2.976 1.00 0.00 C ATOM 997 C SER A 62 -8.724 1.467 3.133 1.00 0.00 C ATOM 998 O SER A 62 -7.914 2.171 3.739 1.00 0.00 O ATOM 999 CB SER A 62 -11.060 1.201 3.966 1.00 0.00 C ATOM 1000 OG SER A 62 -12.384 1.707 3.921 1.00 0.00 O ATOM 0 H SER A 62 -11.464 1.115 1.554 1.00 0.00 H new ATOM 0 HA SER A 62 -10.197 3.003 3.182 1.00 0.00 H new ATOM 0 HB2 SER A 62 -11.065 0.135 3.738 1.00 0.00 H new ATOM 0 HB3 SER A 62 -10.658 1.310 4.973 1.00 0.00 H new ATOM 0 HG SER A 62 -12.942 1.221 4.564 1.00 0.00 H new ATOM 1006 N THR A 63 -8.394 0.292 2.589 1.00 0.00 N ATOM 1007 CA THR A 63 -7.022 -0.192 2.645 1.00 0.00 C ATOM 1008 C THR A 63 -6.136 0.766 1.876 1.00 0.00 C ATOM 1009 O THR A 63 -5.142 1.237 2.398 1.00 0.00 O ATOM 1010 CB THR A 63 -6.866 -1.615 2.055 1.00 0.00 C ATOM 1011 OG1 THR A 63 -8.045 -2.389 2.331 1.00 0.00 O ATOM 1012 CG2 THR A 63 -5.641 -2.330 2.630 1.00 0.00 C ATOM 0 H THR A 63 -9.049 -0.329 2.114 1.00 0.00 H new ATOM 0 HA THR A 63 -6.732 -0.244 3.694 1.00 0.00 H new ATOM 0 HB THR A 63 -6.729 -1.517 0.978 1.00 0.00 H new ATOM 0 HG1 THR A 63 -8.090 -3.148 1.712 1.00 0.00 H new ATOM 0 HG21 THR A 63 -5.563 -3.326 2.194 1.00 0.00 H new ATOM 0 HG22 THR A 63 -4.743 -1.759 2.395 1.00 0.00 H new ATOM 0 HG23 THR A 63 -5.744 -2.415 3.712 1.00 0.00 H new ATOM 1020 N LEU A 64 -6.547 1.092 0.655 1.00 0.00 N ATOM 1021 CA LEU A 64 -5.783 1.982 -0.210 1.00 0.00 C ATOM 1022 C LEU A 64 -5.534 3.332 0.455 1.00 0.00 C ATOM 1023 O LEU A 64 -4.411 3.829 0.454 1.00 0.00 O ATOM 1024 CB LEU A 64 -6.519 2.177 -1.532 1.00 0.00 C ATOM 1025 CG LEU A 64 -6.679 0.918 -2.373 1.00 0.00 C ATOM 1026 CD1 LEU A 64 -7.586 1.188 -3.556 1.00 0.00 C ATOM 1027 CD2 LEU A 64 -5.323 0.428 -2.839 1.00 0.00 C ATOM 0 H LEU A 64 -7.413 0.749 0.240 1.00 0.00 H new ATOM 0 HA LEU A 64 -4.814 1.520 -0.397 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -7.508 2.584 -1.323 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -5.985 2.923 -2.121 1.00 0.00 H new ATOM 0 HG LEU A 64 -7.137 0.140 -1.762 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -7.691 0.279 -4.149 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -8.566 1.504 -3.198 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -7.154 1.976 -4.173 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -5.448 -0.473 -3.440 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -4.844 1.201 -3.440 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -4.700 0.203 -1.973 1.00 0.00 H new ATOM 1039 N ARG A 65 -6.581 3.919 1.023 1.00 0.00 N ATOM 1040 CA ARG A 65 -6.457 5.193 1.716 1.00 0.00 C ATOM 1041 C ARG A 65 -5.554 5.052 2.931 1.00 0.00 C ATOM 1042 O ARG A 65 -4.849 5.987 3.300 1.00 0.00 O ATOM 1043 CB ARG A 65 -7.829 5.718 2.135 1.00 0.00 C ATOM 1044 CG ARG A 65 -8.702 6.169 0.972 1.00 0.00 C ATOM 1045 CD ARG A 65 -8.103 7.369 0.253 1.00 0.00 C ATOM 1046 NE ARG A 65 -8.860 7.727 -0.947 1.00 0.00 N ATOM 1047 CZ ARG A 65 -8.384 8.515 -1.914 1.00 0.00 C ATOM 1048 NH1 ARG A 65 -7.173 9.049 -1.808 1.00 0.00 N ATOM 1049 NH2 ARG A 65 -9.116 8.768 -2.994 1.00 0.00 N ATOM 0 H ARG A 65 -7.525 3.532 1.017 1.00 0.00 H new ATOM 0 HA ARG A 65 -6.009 5.911 1.029 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -8.352 4.937 2.687 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -7.693 6.555 2.819 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -8.824 5.346 0.268 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -9.696 6.424 1.340 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -8.076 8.221 0.932 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -7.072 7.148 -0.022 1.00 0.00 H new ATOM 0 HE ARG A 65 -9.804 7.354 -1.050 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -6.602 8.858 -0.985 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -6.814 9.650 -2.550 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -10.046 8.360 -3.087 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -8.748 9.371 -3.730 1.00 0.00 H new ATOM 1063 N GLU A 66 -5.572 3.874 3.538 1.00 0.00 N ATOM 1064 CA GLU A 66 -4.707 3.585 4.663 1.00 0.00 C ATOM 1065 C GLU A 66 -3.257 3.461 4.194 1.00 0.00 C ATOM 1066 O GLU A 66 -2.381 4.126 4.722 1.00 0.00 O ATOM 1067 CB GLU A 66 -5.166 2.301 5.352 1.00 0.00 C ATOM 1068 CG GLU A 66 -4.257 1.848 6.475 1.00 0.00 C ATOM 1069 CD GLU A 66 -4.245 2.808 7.641 1.00 0.00 C ATOM 1070 OE1 GLU A 66 -5.142 2.707 8.504 1.00 0.00 O ATOM 1071 OE2 GLU A 66 -3.345 3.667 7.709 1.00 0.00 O ATOM 0 H GLU A 66 -6.181 3.102 3.265 1.00 0.00 H new ATOM 0 HA GLU A 66 -4.764 4.404 5.380 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -6.170 2.452 5.749 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -5.233 1.506 4.609 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -4.578 0.866 6.822 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -3.243 1.735 6.092 1.00 0.00 H new ATOM 1078 N LEU A 67 -3.023 2.603 3.199 1.00 0.00 N ATOM 1079 CA LEU A 67 -1.701 2.437 2.585 1.00 0.00 C ATOM 1080 C LEU A 67 -1.117 3.802 2.212 1.00 0.00 C ATOM 1081 O LEU A 67 -0.007 4.137 2.616 1.00 0.00 O ATOM 1082 CB LEU A 67 -1.819 1.547 1.336 1.00 0.00 C ATOM 1083 CG LEU A 67 -2.712 0.324 1.507 1.00 0.00 C ATOM 1084 CD1 LEU A 67 -2.901 -0.377 0.188 1.00 0.00 C ATOM 1085 CD2 LEU A 67 -2.120 -0.638 2.517 1.00 0.00 C ATOM 0 H LEU A 67 -3.743 2.004 2.795 1.00 0.00 H new ATOM 0 HA LEU A 67 -1.032 1.959 3.300 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.204 2.149 0.513 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -0.822 1.214 1.048 1.00 0.00 H new ATOM 0 HG LEU A 67 -3.681 0.663 1.873 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -3.541 -1.248 0.327 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.367 0.305 -0.523 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -1.932 -0.696 -0.196 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.775 -1.503 2.623 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -1.138 -0.965 2.175 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -2.021 -0.138 3.481 1.00 0.00 H new ATOM 1097 N GLU A 68 -1.899 4.591 1.476 1.00 0.00 N ATOM 1098 CA GLU A 68 -1.496 5.937 1.061 1.00 0.00 C ATOM 1099 C GLU A 68 -1.159 6.810 2.275 1.00 0.00 C ATOM 1100 O GLU A 68 -0.040 7.288 2.421 1.00 0.00 O ATOM 1101 CB GLU A 68 -2.627 6.590 0.259 1.00 0.00 C ATOM 1102 CG GLU A 68 -2.317 7.995 -0.220 1.00 0.00 C ATOM 1103 CD GLU A 68 -3.560 8.752 -0.648 1.00 0.00 C ATOM 1104 OE1 GLU A 68 -4.367 9.127 0.233 1.00 0.00 O ATOM 1105 OE2 GLU A 68 -3.739 8.987 -1.858 1.00 0.00 O ATOM 0 H GLU A 68 -2.826 4.318 1.151 1.00 0.00 H new ATOM 0 HA GLU A 68 -0.604 5.851 0.440 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -2.853 5.965 -0.605 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -3.525 6.618 0.876 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -1.818 8.545 0.578 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -1.621 7.944 -1.057 1.00 0.00 H new ATOM 1112 N ARG A 69 -2.137 7.010 3.151 1.00 0.00 N ATOM 1113 CA ARG A 69 -1.949 7.830 4.348 1.00 0.00 C ATOM 1114 C ARG A 69 -0.822 7.297 5.216 1.00 0.00 C ATOM 1115 O ARG A 69 -0.144 8.055 5.914 1.00 0.00 O ATOM 1116 CB ARG A 69 -3.237 7.864 5.152 1.00 0.00 C ATOM 1117 CG ARG A 69 -4.183 8.990 4.771 1.00 0.00 C ATOM 1118 CD ARG A 69 -3.925 10.241 5.597 1.00 0.00 C ATOM 1119 NE ARG A 69 -2.587 10.795 5.379 1.00 0.00 N ATOM 1120 CZ ARG A 69 -2.182 11.980 5.835 1.00 0.00 C ATOM 1121 NH1 ARG A 69 -3.005 12.748 6.535 1.00 0.00 N ATOM 1122 NH2 ARG A 69 -0.946 12.389 5.591 1.00 0.00 N ATOM 0 H ARG A 69 -3.073 6.615 3.056 1.00 0.00 H new ATOM 0 HA ARG A 69 -1.683 8.837 4.028 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -3.754 6.913 5.027 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -2.989 7.956 6.209 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -4.066 9.222 3.712 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -5.213 8.665 4.914 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -4.671 10.996 5.349 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -4.049 10.006 6.654 1.00 0.00 H new ATOM 0 HE ARG A 69 -1.922 10.238 4.843 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -3.956 12.433 6.728 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -2.687 13.654 6.881 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -0.309 11.798 5.056 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -0.631 13.295 5.938 1.00 0.00 H new ATOM 1136 N TYR A 70 -0.603 6.004 5.152 1.00 0.00 N ATOM 1137 CA TYR A 70 0.442 5.391 5.927 1.00 0.00 C ATOM 1138 C TYR A 70 1.798 5.801 5.382 1.00 0.00 C ATOM 1139 O TYR A 70 2.655 6.279 6.125 1.00 0.00 O ATOM 1140 CB TYR A 70 0.317 3.876 5.921 1.00 0.00 C ATOM 1141 CG TYR A 70 1.571 3.220 6.405 1.00 0.00 C ATOM 1142 CD1 TYR A 70 2.067 3.468 7.680 1.00 0.00 C ATOM 1143 CD2 TYR A 70 2.279 2.392 5.570 1.00 0.00 C ATOM 1144 CE1 TYR A 70 3.244 2.896 8.102 1.00 0.00 C ATOM 1145 CE2 TYR A 70 3.457 1.818 5.975 1.00 0.00 C ATOM 1146 CZ TYR A 70 3.941 2.075 7.247 1.00 0.00 C ATOM 1147 OH TYR A 70 5.126 1.522 7.661 1.00 0.00 O ATOM 0 H TYR A 70 -1.137 5.359 4.570 1.00 0.00 H new ATOM 0 HA TYR A 70 0.345 5.734 6.957 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -0.519 3.576 6.553 1.00 0.00 H new ATOM 0 HB3 TYR A 70 0.092 3.533 4.911 1.00 0.00 H new ATOM 0 HD1 TYR A 70 1.521 4.118 8.347 1.00 0.00 H new ATOM 0 HD2 TYR A 70 1.902 2.189 4.578 1.00 0.00 H new ATOM 0 HE1 TYR A 70 3.618 3.090 9.097 1.00 0.00 H new ATOM 0 HE2 TYR A 70 4.004 1.170 5.306 1.00 0.00 H new ATOM 0 HH TYR A 70 5.428 0.863 7.001 1.00 0.00 H new ATOM 1157 N VAL A 71 1.987 5.643 4.078 1.00 0.00 N ATOM 1158 CA VAL A 71 3.254 5.994 3.475 1.00 0.00 C ATOM 1159 C VAL A 71 3.520 7.470 3.691 1.00 0.00 C ATOM 1160 O VAL A 71 4.653 7.872 3.886 1.00 0.00 O ATOM 1161 CB VAL A 71 3.321 5.708 1.961 1.00 0.00 C ATOM 1162 CG1 VAL A 71 2.848 4.314 1.625 1.00 0.00 C ATOM 1163 CG2 VAL A 71 2.541 6.727 1.176 1.00 0.00 C ATOM 0 H VAL A 71 1.287 5.279 3.431 1.00 0.00 H new ATOM 0 HA VAL A 71 4.006 5.369 3.958 1.00 0.00 H new ATOM 0 HB VAL A 71 4.371 5.780 1.676 1.00 0.00 H new ATOM 0 HG11 VAL A 71 2.913 4.157 0.548 1.00 0.00 H new ATOM 0 HG12 VAL A 71 3.475 3.584 2.136 1.00 0.00 H new ATOM 0 HG13 VAL A 71 1.814 4.193 1.948 1.00 0.00 H new ATOM 0 HG21 VAL A 71 2.609 6.497 0.113 1.00 0.00 H new ATOM 0 HG22 VAL A 71 1.496 6.704 1.487 1.00 0.00 H new ATOM 0 HG23 VAL A 71 2.952 7.720 1.359 1.00 0.00 H new ATOM 1173 N THR A 72 2.457 8.274 3.694 1.00 0.00 N ATOM 1174 CA THR A 72 2.618 9.710 3.800 1.00 0.00 C ATOM 1175 C THR A 72 3.188 10.094 5.157 1.00 0.00 C ATOM 1176 O THR A 72 3.808 11.140 5.305 1.00 0.00 O ATOM 1177 CB THR A 72 1.312 10.481 3.534 1.00 0.00 C ATOM 1178 OG1 THR A 72 0.299 10.149 4.487 1.00 0.00 O ATOM 1179 CG2 THR A 72 0.826 10.169 2.139 1.00 0.00 C ATOM 0 H THR A 72 1.491 7.954 3.625 1.00 0.00 H new ATOM 0 HA THR A 72 3.323 9.997 3.020 1.00 0.00 H new ATOM 0 HB THR A 72 1.519 11.547 3.630 1.00 0.00 H new ATOM 0 HG1 THR A 72 0.586 9.374 5.013 1.00 0.00 H new ATOM 0 HG21 THR A 72 -0.099 10.713 1.946 1.00 0.00 H new ATOM 0 HG22 THR A 72 1.582 10.470 1.414 1.00 0.00 H new ATOM 0 HG23 THR A 72 0.643 9.098 2.048 1.00 0.00 H new ATOM 1187 N SER A 73 3.005 9.225 6.140 1.00 0.00 N ATOM 1188 CA SER A 73 3.575 9.454 7.454 1.00 0.00 C ATOM 1189 C SER A 73 5.093 9.253 7.398 1.00 0.00 C ATOM 1190 O SER A 73 5.839 9.806 8.203 1.00 0.00 O ATOM 1191 CB SER A 73 2.926 8.523 8.483 1.00 0.00 C ATOM 1192 OG SER A 73 3.425 7.199 8.388 1.00 0.00 O ATOM 0 H SER A 73 2.470 8.361 6.052 1.00 0.00 H new ATOM 0 HA SER A 73 3.376 10.480 7.764 1.00 0.00 H new ATOM 0 HB2 SER A 73 3.108 8.908 9.486 1.00 0.00 H new ATOM 0 HB3 SER A 73 1.846 8.515 8.335 1.00 0.00 H new ATOM 0 HG SER A 73 3.394 6.904 7.454 1.00 0.00 H new ATOM 1198 N CYS A 74 5.534 8.469 6.416 1.00 0.00 N ATOM 1199 CA CYS A 74 6.957 8.211 6.206 1.00 0.00 C ATOM 1200 C CYS A 74 7.530 9.088 5.088 1.00 0.00 C ATOM 1201 O CYS A 74 8.715 9.414 5.090 1.00 0.00 O ATOM 1202 CB CYS A 74 7.188 6.728 5.883 1.00 0.00 C ATOM 1203 SG CYS A 74 8.895 6.325 5.449 1.00 0.00 S ATOM 0 H CYS A 74 4.922 7.999 5.749 1.00 0.00 H new ATOM 0 HA CYS A 74 7.478 8.463 7.130 1.00 0.00 H new ATOM 0 HB2 CYS A 74 6.892 6.129 6.744 1.00 0.00 H new ATOM 0 HB3 CYS A 74 6.537 6.441 5.057 1.00 0.00 H new ATOM 0 HG CYS A 74 9.534 7.415 5.142 1.00 0.00 H new ATOM 1209 N LEU A 75 6.685 9.457 4.132 1.00 0.00 N ATOM 1210 CA LEU A 75 7.127 10.150 2.930 1.00 0.00 C ATOM 1211 C LEU A 75 6.862 11.649 2.997 1.00 0.00 C ATOM 1212 O LEU A 75 7.613 12.443 2.435 1.00 0.00 O ATOM 1213 CB LEU A 75 6.403 9.569 1.716 1.00 0.00 C ATOM 1214 CG LEU A 75 6.488 8.056 1.568 1.00 0.00 C ATOM 1215 CD1 LEU A 75 5.955 7.644 0.211 1.00 0.00 C ATOM 1216 CD2 LEU A 75 7.919 7.572 1.759 1.00 0.00 C ATOM 0 H LEU A 75 5.680 9.285 4.169 1.00 0.00 H new ATOM 0 HA LEU A 75 8.204 10.005 2.845 1.00 0.00 H new ATOM 0 HB2 LEU A 75 5.352 9.853 1.770 1.00 0.00 H new ATOM 0 HB3 LEU A 75 6.812 10.029 0.816 1.00 0.00 H new ATOM 0 HG LEU A 75 5.876 7.592 2.342 1.00 0.00 H new ATOM 0 HD11 LEU A 75 6.018 6.561 0.109 1.00 0.00 H new ATOM 0 HD12 LEU A 75 4.915 7.958 0.118 1.00 0.00 H new ATOM 0 HD13 LEU A 75 6.548 8.117 -0.572 1.00 0.00 H new ATOM 0 HD21 LEU A 75 7.954 6.488 1.649 1.00 0.00 H new ATOM 0 HD22 LEU A 75 8.562 8.034 1.010 1.00 0.00 H new ATOM 0 HD23 LEU A 75 8.266 7.847 2.755 1.00 0.00 H new