USER MOD reduce.3.24.130724 H: found=0, std=0, add=804, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 805 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 56 ASN : amide:sc= -0.0368 K(o=-0.037,f=-1.5) USER MOD Set 1.2: A 59 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 25 TYR OH : rot -156:sc= 1.45 USER MOD Set 2.2: A 48 HIS : no HE2:sc= -4.45! C(o=-3!,f=-11!) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 CYS SG : rot -138:sc= 0.281 USER MOD Single : A 19 GLN : amide:sc= 0.0047 K(o=0.0047,f=-1.8!) USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=-0.099) USER MOD Single : A 21 GLN : amide:sc= -0.114 X(o=-0.11,f=-0.17) USER MOD Single : A 22 THR OG1 : rot 18:sc= 0.812 USER MOD Single : A 26 GLN : amide:sc= -1.05 X(o=-1.1,f=-1.5) USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 29 ASN : amide:sc= -0.122 K(o=-0.12,f=-1.3) USER MOD Single : A 31 THR OG1 : rot 82:sc= 0.0111 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.0952 USER MOD Single : A 36 SER OG : rot 60:sc= -0.0382 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 44 CYS SG : rot 170:sc= -1.24 USER MOD Single : A 61 ASN :FLIP amide:sc= -4.69! C(o=-8!,f=-4.7!) USER MOD Single : A 68 ASN : amide:sc= -1.28 K(o=-1.3,f=-4.2) USER MOD Single : A 69 ASN : amide:sc= -0.803 K(o=-0.8,f=-2.9) USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 THR OG1 : rot 180:sc= -0.24 USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.17 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 MET CE :methyl 155:sc= -1.53 (180deg=-2.82!) USER MOD Single : A 93 SER OG : rot 73:sc= 0.00809 USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 MET CE :methyl -172:sc= -0.93 (180deg=-1.41) USER MOD Single : A 104 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 96:sc= 1.23 USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 135 N SER A 12 -6.628 -7.847 2.614 1.00 0.00 N ATOM 136 CA SER A 12 -6.796 -7.808 4.062 1.00 0.00 C ATOM 137 C SER A 12 -5.958 -6.691 4.676 1.00 0.00 C ATOM 138 O SER A 12 -6.492 -5.747 5.259 1.00 0.00 O ATOM 139 CB SER A 12 -6.403 -9.153 4.678 1.00 0.00 C ATOM 140 OG SER A 12 -6.013 -8.999 6.032 1.00 0.00 O ATOM 0 HA SER A 12 -7.846 -7.611 4.276 1.00 0.00 H new ATOM 0 HB2 SER A 12 -7.243 -9.845 4.615 1.00 0.00 H new ATOM 0 HB3 SER A 12 -5.584 -9.592 4.108 1.00 0.00 H new ATOM 0 HG SER A 12 -5.768 -9.872 6.403 1.00 0.00 H new ATOM 146 N LYS A 13 -4.641 -6.805 4.542 1.00 0.00 N ATOM 147 CA LYS A 13 -3.726 -5.806 5.082 1.00 0.00 C ATOM 148 C LYS A 13 -4.107 -4.407 4.606 1.00 0.00 C ATOM 149 O LYS A 13 -3.777 -3.410 5.250 1.00 0.00 O ATOM 150 CB LYS A 13 -2.288 -6.124 4.667 1.00 0.00 C ATOM 151 CG LYS A 13 -1.696 -7.320 5.391 1.00 0.00 C ATOM 152 CD LYS A 13 -0.207 -7.456 5.121 1.00 0.00 C ATOM 153 CE LYS A 13 0.337 -8.775 5.646 1.00 0.00 C ATOM 154 NZ LYS A 13 1.517 -9.239 4.865 1.00 0.00 N ATOM 0 H LYS A 13 -4.183 -7.580 4.063 1.00 0.00 H new ATOM 0 HA LYS A 13 -3.798 -5.833 6.169 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -2.261 -6.310 3.593 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -1.663 -5.251 4.854 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -1.864 -7.217 6.463 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -2.208 -8.228 5.074 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -0.023 -7.386 4.049 1.00 0.00 H new ATOM 0 HD3 LYS A 13 0.326 -6.629 5.590 1.00 0.00 H new ATOM 0 HE2 LYS A 13 0.617 -8.661 6.693 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -0.446 -9.532 5.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 1.858 -10.141 5.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 1.244 -9.372 3.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 2.274 -8.528 4.924 1.00 0.00 H new ATOM 168 N LEU A 14 -4.803 -4.341 3.477 1.00 0.00 N ATOM 169 CA LEU A 14 -5.230 -3.064 2.915 1.00 0.00 C ATOM 170 C LEU A 14 -6.319 -2.428 3.774 1.00 0.00 C ATOM 171 O LEU A 14 -6.180 -1.292 4.231 1.00 0.00 O ATOM 172 CB LEU A 14 -5.740 -3.257 1.486 1.00 0.00 C ATOM 173 CG LEU A 14 -6.182 -1.990 0.754 1.00 0.00 C ATOM 174 CD1 LEU A 14 -5.068 -0.954 0.760 1.00 0.00 C ATOM 175 CD2 LEU A 14 -6.601 -2.317 -0.672 1.00 0.00 C ATOM 0 H LEU A 14 -5.084 -5.156 2.932 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.368 -2.396 2.899 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.953 -3.734 0.902 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -6.581 -3.949 1.512 1.00 0.00 H new ATOM 0 HG LEU A 14 -7.042 -1.572 1.277 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -5.401 -0.059 0.234 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -4.815 -0.698 1.789 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -4.189 -1.362 0.261 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.913 -1.403 -1.178 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.760 -2.759 -1.206 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -7.431 -3.023 -0.654 1.00 0.00 H new ATOM 187 N LEU A 15 -7.400 -3.168 3.992 1.00 0.00 N ATOM 188 CA LEU A 15 -8.512 -2.678 4.799 1.00 0.00 C ATOM 189 C LEU A 15 -8.031 -2.231 6.176 1.00 0.00 C ATOM 190 O LEU A 15 -8.457 -1.196 6.690 1.00 0.00 O ATOM 191 CB LEU A 15 -9.579 -3.764 4.947 1.00 0.00 C ATOM 192 CG LEU A 15 -10.810 -3.389 5.773 1.00 0.00 C ATOM 193 CD1 LEU A 15 -11.626 -2.322 5.060 1.00 0.00 C ATOM 194 CD2 LEU A 15 -11.662 -4.619 6.049 1.00 0.00 C ATOM 0 H LEU A 15 -7.530 -4.109 3.621 1.00 0.00 H new ATOM 0 HA LEU A 15 -8.946 -1.818 4.289 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -9.910 -4.057 3.951 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -9.116 -4.641 5.400 1.00 0.00 H new ATOM 0 HG LEU A 15 -10.474 -2.983 6.727 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -12.498 -2.068 5.663 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -11.013 -1.432 4.914 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -11.952 -2.700 4.091 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -12.534 -4.333 6.638 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -11.989 -5.054 5.105 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -11.075 -5.352 6.602 1.00 0.00 H new ATOM 206 N THR A 16 -7.139 -3.018 6.769 1.00 0.00 N ATOM 207 CA THR A 16 -6.598 -2.704 8.086 1.00 0.00 C ATOM 208 C THR A 16 -5.944 -1.327 8.098 1.00 0.00 C ATOM 209 O THR A 16 -6.373 -0.433 8.826 1.00 0.00 O ATOM 210 CB THR A 16 -5.565 -3.755 8.534 1.00 0.00 C ATOM 211 OG1 THR A 16 -6.120 -5.069 8.418 1.00 0.00 O ATOM 212 CG2 THR A 16 -5.130 -3.508 9.971 1.00 0.00 C ATOM 0 H THR A 16 -6.776 -3.878 6.358 1.00 0.00 H new ATOM 0 HA THR A 16 -7.437 -2.710 8.782 1.00 0.00 H new ATOM 0 HB THR A 16 -4.692 -3.672 7.887 1.00 0.00 H new ATOM 0 HG1 THR A 16 -5.456 -5.731 8.703 1.00 0.00 H new ATOM 0 HG21 THR A 16 -4.400 -4.263 10.265 1.00 0.00 H new ATOM 0 HG22 THR A 16 -4.680 -2.518 10.050 1.00 0.00 H new ATOM 0 HG23 THR A 16 -5.997 -3.566 10.629 1.00 0.00 H new ATOM 220 N TRP A 17 -4.905 -1.165 7.286 1.00 0.00 N ATOM 221 CA TRP A 17 -4.192 0.105 7.203 1.00 0.00 C ATOM 222 C TRP A 17 -5.168 1.269 7.068 1.00 0.00 C ATOM 223 O TRP A 17 -5.027 2.290 7.743 1.00 0.00 O ATOM 224 CB TRP A 17 -3.225 0.094 6.019 1.00 0.00 C ATOM 225 CG TRP A 17 -2.456 1.372 5.867 1.00 0.00 C ATOM 226 CD1 TRP A 17 -1.375 1.770 6.601 1.00 0.00 C ATOM 227 CD2 TRP A 17 -2.711 2.419 4.925 1.00 0.00 C ATOM 228 NE1 TRP A 17 -0.943 3.001 6.171 1.00 0.00 N ATOM 229 CE2 TRP A 17 -1.746 3.421 5.143 1.00 0.00 C ATOM 230 CE3 TRP A 17 -3.660 2.607 3.916 1.00 0.00 C ATOM 231 CZ2 TRP A 17 -1.704 4.591 4.391 1.00 0.00 C ATOM 232 CZ3 TRP A 17 -3.618 3.770 3.171 1.00 0.00 C ATOM 233 CH2 TRP A 17 -2.646 4.749 3.410 1.00 0.00 C ATOM 0 H TRP A 17 -4.538 -1.896 6.677 1.00 0.00 H new ATOM 0 HA TRP A 17 -3.625 0.236 8.125 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -2.523 -0.731 6.140 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -3.785 -0.095 5.103 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -0.926 1.201 7.401 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -0.152 3.519 6.555 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -4.412 1.857 3.722 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -0.955 5.347 4.575 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -4.348 3.927 2.391 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -2.639 5.646 2.809 1.00 0.00 H new ATOM 244 N CYS A 18 -6.155 1.110 6.195 1.00 0.00 N ATOM 245 CA CYS A 18 -7.154 2.149 5.971 1.00 0.00 C ATOM 246 C CYS A 18 -8.000 2.368 7.222 1.00 0.00 C ATOM 247 O CYS A 18 -8.304 3.504 7.585 1.00 0.00 O ATOM 248 CB CYS A 18 -8.053 1.776 4.792 1.00 0.00 C ATOM 249 SG CYS A 18 -7.198 1.725 3.199 1.00 0.00 S ATOM 0 H CYS A 18 -6.286 0.271 5.630 1.00 0.00 H new ATOM 0 HA CYS A 18 -6.631 3.077 5.740 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -8.500 0.800 4.984 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -8.870 2.494 4.731 1.00 0.00 H new ATOM 0 HG CYS A 18 -7.948 2.268 2.286 1.00 0.00 H new ATOM 255 N GLN A 19 -8.377 1.273 7.874 1.00 0.00 N ATOM 256 CA GLN A 19 -9.190 1.346 9.082 1.00 0.00 C ATOM 257 C GLN A 19 -8.475 2.137 10.172 1.00 0.00 C ATOM 258 O GLN A 19 -9.079 2.974 10.842 1.00 0.00 O ATOM 259 CB GLN A 19 -9.518 -0.060 9.587 1.00 0.00 C ATOM 260 CG GLN A 19 -10.771 -0.653 8.965 1.00 0.00 C ATOM 261 CD GLN A 19 -10.912 -2.138 9.237 1.00 0.00 C ATOM 262 OE1 GLN A 19 -9.983 -2.782 9.726 1.00 0.00 O ATOM 263 NE2 GLN A 19 -12.078 -2.690 8.923 1.00 0.00 N ATOM 0 H GLN A 19 -8.133 0.325 7.586 1.00 0.00 H new ATOM 0 HA GLN A 19 -10.118 1.861 8.835 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -8.674 -0.717 9.380 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -9.640 -0.029 10.670 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -11.646 -0.132 9.353 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -10.752 -0.485 7.888 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -12.821 -2.119 8.520 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -12.231 -3.685 9.085 1.00 0.00 H new ATOM 272 N GLN A 20 -7.185 1.865 10.344 1.00 0.00 N ATOM 273 CA GLN A 20 -6.389 2.552 11.355 1.00 0.00 C ATOM 274 C GLN A 20 -6.404 4.060 11.128 1.00 0.00 C ATOM 275 O GLN A 20 -6.705 4.830 12.039 1.00 0.00 O ATOM 276 CB GLN A 20 -4.949 2.036 11.336 1.00 0.00 C ATOM 277 CG GLN A 20 -4.837 0.537 11.564 1.00 0.00 C ATOM 278 CD GLN A 20 -4.870 0.166 13.034 1.00 0.00 C ATOM 279 OE1 GLN A 20 -4.075 0.667 13.830 1.00 0.00 O ATOM 280 NE2 GLN A 20 -5.792 -0.716 13.402 1.00 0.00 N ATOM 0 H GLN A 20 -6.670 1.175 9.797 1.00 0.00 H new ATOM 0 HA GLN A 20 -6.829 2.346 12.330 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -4.496 2.284 10.376 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -4.375 2.556 12.103 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -5.654 0.033 11.048 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -3.909 0.175 11.122 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -6.430 -1.106 12.709 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -5.862 -1.004 14.378 1.00 0.00 H new ATOM 289 N GLN A 21 -6.077 4.473 9.908 1.00 0.00 N ATOM 290 CA GLN A 21 -6.052 5.889 9.562 1.00 0.00 C ATOM 291 C GLN A 21 -7.395 6.547 9.865 1.00 0.00 C ATOM 292 O GLN A 21 -7.452 7.613 10.480 1.00 0.00 O ATOM 293 CB GLN A 21 -5.704 6.070 8.084 1.00 0.00 C ATOM 294 CG GLN A 21 -4.349 5.495 7.703 1.00 0.00 C ATOM 295 CD GLN A 21 -3.217 6.078 8.525 1.00 0.00 C ATOM 296 OE1 GLN A 21 -3.133 7.292 8.714 1.00 0.00 O ATOM 297 NE2 GLN A 21 -2.338 5.214 9.019 1.00 0.00 N ATOM 0 H GLN A 21 -5.826 3.847 9.143 1.00 0.00 H new ATOM 0 HA GLN A 21 -5.286 6.371 10.169 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -6.475 5.595 7.477 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -5.719 7.133 7.843 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -4.368 4.413 7.833 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -4.162 5.686 6.646 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -2.446 4.216 8.837 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -1.554 5.548 9.580 1.00 0.00 H new ATOM 306 N THR A 22 -8.474 5.905 9.429 1.00 0.00 N ATOM 307 CA THR A 22 -9.816 6.428 9.651 1.00 0.00 C ATOM 308 C THR A 22 -10.191 6.371 11.128 1.00 0.00 C ATOM 309 O THR A 22 -10.961 7.199 11.614 1.00 0.00 O ATOM 310 CB THR A 22 -10.865 5.647 8.837 1.00 0.00 C ATOM 311 OG1 THR A 22 -10.640 4.239 8.970 1.00 0.00 O ATOM 312 CG2 THR A 22 -10.811 6.039 7.368 1.00 0.00 C ATOM 0 H THR A 22 -8.445 5.022 8.920 1.00 0.00 H new ATOM 0 HA THR A 22 -9.809 7.467 9.320 1.00 0.00 H new ATOM 0 HB THR A 22 -11.853 5.894 9.226 1.00 0.00 H new ATOM 0 HG1 THR A 22 -10.077 4.070 9.754 1.00 0.00 H new ATOM 0 HG21 THR A 22 -11.561 5.475 6.813 1.00 0.00 H new ATOM 0 HG22 THR A 22 -11.012 7.106 7.268 1.00 0.00 H new ATOM 0 HG23 THR A 22 -9.821 5.818 6.969 1.00 0.00 H new ATOM 320 N GLU A 23 -9.640 5.390 11.836 1.00 0.00 N ATOM 321 CA GLU A 23 -9.917 5.227 13.259 1.00 0.00 C ATOM 322 C GLU A 23 -9.868 6.571 13.980 1.00 0.00 C ATOM 323 O GLU A 23 -8.989 7.393 13.725 1.00 0.00 O ATOM 324 CB GLU A 23 -8.913 4.260 13.889 1.00 0.00 C ATOM 325 CG GLU A 23 -9.443 3.551 15.124 1.00 0.00 C ATOM 326 CD GLU A 23 -10.359 2.392 14.782 1.00 0.00 C ATOM 327 OE1 GLU A 23 -10.047 1.649 13.828 1.00 0.00 O ATOM 328 OE2 GLU A 23 -11.388 2.227 15.470 1.00 0.00 O ATOM 0 H GLU A 23 -9.000 4.697 11.448 1.00 0.00 H new ATOM 0 HA GLU A 23 -10.921 4.815 13.363 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -8.625 3.514 13.148 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -8.010 4.810 14.155 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -8.604 3.184 15.716 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -9.983 4.266 15.745 1.00 0.00 H new ATOM 335 N GLY A 24 -10.820 6.786 14.883 1.00 0.00 N ATOM 336 CA GLY A 24 -10.868 8.031 15.627 1.00 0.00 C ATOM 337 C GLY A 24 -11.868 9.014 15.050 1.00 0.00 C ATOM 338 O GLY A 24 -12.593 9.679 15.790 1.00 0.00 O ATOM 0 H GLY A 24 -11.558 6.121 15.112 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -11.127 7.821 16.665 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -9.878 8.486 15.632 1.00 0.00 H new ATOM 342 N TYR A 25 -11.906 9.106 13.725 1.00 0.00 N ATOM 343 CA TYR A 25 -12.821 10.018 13.049 1.00 0.00 C ATOM 344 C TYR A 25 -14.254 9.804 13.526 1.00 0.00 C ATOM 345 O TYR A 25 -14.544 8.847 14.243 1.00 0.00 O ATOM 346 CB TYR A 25 -12.741 9.823 11.534 1.00 0.00 C ATOM 347 CG TYR A 25 -11.641 10.627 10.877 1.00 0.00 C ATOM 348 CD1 TYR A 25 -10.304 10.313 11.086 1.00 0.00 C ATOM 349 CD2 TYR A 25 -11.940 11.700 10.047 1.00 0.00 C ATOM 350 CE1 TYR A 25 -9.297 11.045 10.489 1.00 0.00 C ATOM 351 CE2 TYR A 25 -10.939 12.437 9.444 1.00 0.00 C ATOM 352 CZ TYR A 25 -9.619 12.106 9.668 1.00 0.00 C ATOM 353 OH TYR A 25 -8.618 12.837 9.070 1.00 0.00 O ATOM 0 H TYR A 25 -11.314 8.561 13.098 1.00 0.00 H new ATOM 0 HA TYR A 25 -12.525 11.038 13.294 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -12.584 8.766 11.320 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -13.697 10.100 11.089 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -10.048 9.482 11.726 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -12.973 11.963 9.870 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -8.263 10.788 10.664 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -11.189 13.268 8.801 1.00 0.00 H new ATOM 0 HH TYR A 25 -8.952 13.732 8.852 1.00 0.00 H new ATOM 363 N GLN A 26 -15.146 10.703 13.121 1.00 0.00 N ATOM 364 CA GLN A 26 -16.549 10.613 13.506 1.00 0.00 C ATOM 365 C GLN A 26 -17.424 10.284 12.301 1.00 0.00 C ATOM 366 O GLN A 26 -17.111 10.659 11.171 1.00 0.00 O ATOM 367 CB GLN A 26 -17.010 11.926 14.142 1.00 0.00 C ATOM 368 CG GLN A 26 -16.268 12.275 15.422 1.00 0.00 C ATOM 369 CD GLN A 26 -14.851 12.750 15.164 1.00 0.00 C ATOM 370 OE1 GLN A 26 -13.884 12.091 15.545 1.00 0.00 O ATOM 371 NE2 GLN A 26 -14.722 13.901 14.513 1.00 0.00 N ATOM 0 H GLN A 26 -14.922 11.501 12.527 1.00 0.00 H new ATOM 0 HA GLN A 26 -16.649 9.809 14.235 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -16.878 12.735 13.423 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -18.077 11.861 14.356 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -16.816 13.052 15.955 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -16.241 11.400 16.072 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -15.552 14.414 14.216 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -13.793 14.271 14.311 1.00 0.00 H new ATOM 380 N HIS A 27 -18.523 9.579 12.550 1.00 0.00 N ATOM 381 CA HIS A 27 -19.445 9.198 11.485 1.00 0.00 C ATOM 382 C HIS A 27 -18.705 8.491 10.354 1.00 0.00 C ATOM 383 O HIS A 27 -19.082 8.602 9.187 1.00 0.00 O ATOM 384 CB HIS A 27 -20.170 10.431 10.944 1.00 0.00 C ATOM 385 CG HIS A 27 -21.048 11.101 11.955 1.00 0.00 C ATOM 386 ND1 HIS A 27 -22.255 10.578 12.368 1.00 0.00 N ATOM 387 CD2 HIS A 27 -20.888 12.258 12.639 1.00 0.00 C ATOM 388 CE1 HIS A 27 -22.801 11.385 13.260 1.00 0.00 C ATOM 389 NE2 HIS A 27 -21.991 12.412 13.443 1.00 0.00 N ATOM 0 H HIS A 27 -18.797 9.260 13.479 1.00 0.00 H new ATOM 0 HA HIS A 27 -20.179 8.509 11.902 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -19.432 11.148 10.584 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -20.775 10.139 10.086 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -20.049 12.934 12.566 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -23.748 11.231 13.755 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -22.157 13.193 14.078 1.00 0.00 H new ATOM 398 N VAL A 28 -17.650 7.764 10.706 1.00 0.00 N ATOM 399 CA VAL A 28 -16.857 7.039 9.721 1.00 0.00 C ATOM 400 C VAL A 28 -16.687 5.577 10.120 1.00 0.00 C ATOM 401 O VAL A 28 -15.866 5.248 10.974 1.00 0.00 O ATOM 402 CB VAL A 28 -15.466 7.675 9.541 1.00 0.00 C ATOM 403 CG1 VAL A 28 -14.526 6.712 8.831 1.00 0.00 C ATOM 404 CG2 VAL A 28 -15.575 8.986 8.777 1.00 0.00 C ATOM 0 H VAL A 28 -17.324 7.661 11.667 1.00 0.00 H new ATOM 0 HA VAL A 28 -17.399 7.095 8.777 1.00 0.00 H new ATOM 0 HB VAL A 28 -15.053 7.888 10.527 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -13.548 7.179 8.713 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -14.424 5.801 9.421 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -14.931 6.465 7.850 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -14.583 9.422 8.659 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -16.009 8.800 7.795 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -16.211 9.677 9.329 1.00 0.00 H new ATOM 414 N ASN A 29 -17.470 4.704 9.495 1.00 0.00 N ATOM 415 CA ASN A 29 -17.407 3.276 9.785 1.00 0.00 C ATOM 416 C ASN A 29 -16.880 2.499 8.582 1.00 0.00 C ATOM 417 O ASN A 29 -17.590 2.304 7.596 1.00 0.00 O ATOM 418 CB ASN A 29 -18.790 2.752 10.179 1.00 0.00 C ATOM 419 CG ASN A 29 -18.806 1.248 10.369 1.00 0.00 C ATOM 420 OD1 ASN A 29 -17.828 0.659 10.830 1.00 0.00 O ATOM 421 ND2 ASN A 29 -19.920 0.618 10.013 1.00 0.00 N ATOM 0 H ASN A 29 -18.156 4.960 8.785 1.00 0.00 H new ATOM 0 HA ASN A 29 -16.720 3.130 10.619 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -19.109 3.235 11.102 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -19.512 3.026 9.410 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -19.989 -0.394 10.117 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -20.706 1.147 9.635 1.00 0.00 H new ATOM 428 N VAL A 30 -15.629 2.058 8.671 1.00 0.00 N ATOM 429 CA VAL A 30 -15.007 1.301 7.592 1.00 0.00 C ATOM 430 C VAL A 30 -14.968 -0.188 7.916 1.00 0.00 C ATOM 431 O VAL A 30 -14.232 -0.623 8.803 1.00 0.00 O ATOM 432 CB VAL A 30 -13.573 1.793 7.316 1.00 0.00 C ATOM 433 CG1 VAL A 30 -12.965 1.035 6.146 1.00 0.00 C ATOM 434 CG2 VAL A 30 -13.566 3.291 7.052 1.00 0.00 C ATOM 0 H VAL A 30 -15.027 2.212 9.480 1.00 0.00 H new ATOM 0 HA VAL A 30 -15.616 1.460 6.702 1.00 0.00 H new ATOM 0 HB VAL A 30 -12.964 1.600 8.199 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -11.952 1.396 5.966 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -12.935 -0.030 6.378 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -13.571 1.195 5.254 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -12.545 3.622 6.859 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -14.189 3.511 6.185 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -13.959 3.816 7.923 1.00 0.00 H new ATOM 444 N THR A 31 -15.764 -0.967 7.191 1.00 0.00 N ATOM 445 CA THR A 31 -15.822 -2.408 7.402 1.00 0.00 C ATOM 446 C THR A 31 -15.527 -3.165 6.112 1.00 0.00 C ATOM 447 O THR A 31 -14.991 -4.273 6.139 1.00 0.00 O ATOM 448 CB THR A 31 -17.200 -2.843 7.935 1.00 0.00 C ATOM 449 OG1 THR A 31 -18.236 -2.328 7.092 1.00 0.00 O ATOM 450 CG2 THR A 31 -17.408 -2.354 9.360 1.00 0.00 C ATOM 0 H THR A 31 -16.378 -0.624 6.452 1.00 0.00 H new ATOM 0 HA THR A 31 -15.061 -2.649 8.144 1.00 0.00 H new ATOM 0 HB THR A 31 -17.239 -3.932 7.933 1.00 0.00 H new ATOM 0 HG1 THR A 31 -18.341 -2.910 6.311 1.00 0.00 H new ATOM 0 HG21 THR A 31 -18.388 -2.673 9.715 1.00 0.00 H new ATOM 0 HG22 THR A 31 -16.635 -2.772 10.005 1.00 0.00 H new ATOM 0 HG23 THR A 31 -17.351 -1.266 9.383 1.00 0.00 H new ATOM 458 N ASP A 32 -15.879 -2.559 4.983 1.00 0.00 N ATOM 459 CA ASP A 32 -15.650 -3.175 3.681 1.00 0.00 C ATOM 460 C ASP A 32 -14.836 -2.253 2.779 1.00 0.00 C ATOM 461 O ASP A 32 -14.431 -1.164 3.189 1.00 0.00 O ATOM 462 CB ASP A 32 -16.982 -3.516 3.013 1.00 0.00 C ATOM 463 CG ASP A 32 -17.638 -4.740 3.621 1.00 0.00 C ATOM 464 OD1 ASP A 32 -18.241 -4.611 4.707 1.00 0.00 O ATOM 465 OD2 ASP A 32 -17.548 -5.827 3.012 1.00 0.00 O ATOM 0 H ASP A 32 -16.324 -1.642 4.943 1.00 0.00 H new ATOM 0 HA ASP A 32 -15.085 -4.094 3.836 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -17.657 -2.665 3.100 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -16.818 -3.686 1.949 1.00 0.00 H new ATOM 470 N LEU A 33 -14.598 -2.696 1.549 1.00 0.00 N ATOM 471 CA LEU A 33 -13.831 -1.910 0.588 1.00 0.00 C ATOM 472 C LEU A 33 -14.658 -1.616 -0.658 1.00 0.00 C ATOM 473 O LEU A 33 -14.118 -1.463 -1.755 1.00 0.00 O ATOM 474 CB LEU A 33 -12.550 -2.652 0.201 1.00 0.00 C ATOM 475 CG LEU A 33 -11.679 -3.138 1.360 1.00 0.00 C ATOM 476 CD1 LEU A 33 -10.802 -4.299 0.918 1.00 0.00 C ATOM 477 CD2 LEU A 33 -10.827 -2.000 1.901 1.00 0.00 C ATOM 0 H LEU A 33 -14.925 -3.595 1.194 1.00 0.00 H new ATOM 0 HA LEU A 33 -13.567 -0.962 1.058 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -12.823 -3.514 -0.408 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -11.949 -1.995 -0.428 1.00 0.00 H new ATOM 0 HG LEU A 33 -12.333 -3.487 2.159 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -10.189 -4.632 1.756 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -11.431 -5.122 0.579 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -10.156 -3.977 0.101 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -10.214 -2.365 2.725 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -10.182 -1.620 1.109 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -11.474 -1.198 2.257 1.00 0.00 H new ATOM 489 N THR A 34 -15.974 -1.535 -0.484 1.00 0.00 N ATOM 490 CA THR A 34 -16.876 -1.258 -1.594 1.00 0.00 C ATOM 491 C THR A 34 -17.739 -0.034 -1.309 1.00 0.00 C ATOM 492 O THR A 34 -17.680 0.962 -2.031 1.00 0.00 O ATOM 493 CB THR A 34 -17.793 -2.461 -1.886 1.00 0.00 C ATOM 494 OG1 THR A 34 -18.200 -3.077 -0.659 1.00 0.00 O ATOM 495 CG2 THR A 34 -17.084 -3.482 -2.762 1.00 0.00 C ATOM 0 H THR A 34 -16.438 -1.658 0.416 1.00 0.00 H new ATOM 0 HA THR A 34 -16.253 -1.065 -2.467 1.00 0.00 H new ATOM 0 HB THR A 34 -18.672 -2.098 -2.418 1.00 0.00 H new ATOM 0 HG1 THR A 34 -18.784 -3.840 -0.854 1.00 0.00 H new ATOM 0 HG21 THR A 34 -17.751 -4.322 -2.955 1.00 0.00 H new ATOM 0 HG22 THR A 34 -16.803 -3.018 -3.707 1.00 0.00 H new ATOM 0 HG23 THR A 34 -16.189 -3.839 -2.253 1.00 0.00 H new ATOM 503 N THR A 35 -18.540 -0.113 -0.251 1.00 0.00 N ATOM 504 CA THR A 35 -19.415 0.989 0.129 1.00 0.00 C ATOM 505 C THR A 35 -18.694 1.973 1.043 1.00 0.00 C ATOM 506 O THR A 35 -19.000 3.166 1.052 1.00 0.00 O ATOM 507 CB THR A 35 -20.682 0.480 0.841 1.00 0.00 C ATOM 508 OG1 THR A 35 -21.308 1.552 1.555 1.00 0.00 O ATOM 509 CG2 THR A 35 -20.346 -0.649 1.804 1.00 0.00 C ATOM 0 H THR A 35 -18.601 -0.929 0.358 1.00 0.00 H new ATOM 0 HA THR A 35 -19.703 1.496 -0.792 1.00 0.00 H new ATOM 0 HB THR A 35 -21.368 0.099 0.084 1.00 0.00 H new ATOM 0 HG1 THR A 35 -22.114 1.220 2.003 1.00 0.00 H new ATOM 0 HG21 THR A 35 -21.257 -0.992 2.295 1.00 0.00 H new ATOM 0 HG22 THR A 35 -19.897 -1.476 1.253 1.00 0.00 H new ATOM 0 HG23 THR A 35 -19.643 -0.289 2.555 1.00 0.00 H new ATOM 517 N SER A 36 -17.733 1.468 1.810 1.00 0.00 N ATOM 518 CA SER A 36 -16.970 2.303 2.730 1.00 0.00 C ATOM 519 C SER A 36 -16.357 3.494 2.001 1.00 0.00 C ATOM 520 O SER A 36 -15.941 4.471 2.624 1.00 0.00 O ATOM 521 CB SER A 36 -15.869 1.482 3.404 1.00 0.00 C ATOM 522 OG SER A 36 -16.397 0.683 4.449 1.00 0.00 O ATOM 0 H SER A 36 -17.464 0.484 1.812 1.00 0.00 H new ATOM 0 HA SER A 36 -17.653 2.678 3.493 1.00 0.00 H new ATOM 0 HB2 SER A 36 -15.382 0.845 2.666 1.00 0.00 H new ATOM 0 HB3 SER A 36 -15.105 2.150 3.803 1.00 0.00 H new ATOM 0 HG SER A 36 -17.069 0.070 4.084 1.00 0.00 H new ATOM 528 N TRP A 37 -16.305 3.406 0.677 1.00 0.00 N ATOM 529 CA TRP A 37 -15.743 4.477 -0.139 1.00 0.00 C ATOM 530 C TRP A 37 -16.733 4.923 -1.210 1.00 0.00 C ATOM 531 O TRP A 37 -16.337 5.379 -2.282 1.00 0.00 O ATOM 532 CB TRP A 37 -14.439 4.017 -0.793 1.00 0.00 C ATOM 533 CG TRP A 37 -13.574 3.199 0.119 1.00 0.00 C ATOM 534 CD1 TRP A 37 -13.822 1.933 0.567 1.00 0.00 C ATOM 535 CD2 TRP A 37 -12.323 3.593 0.694 1.00 0.00 C ATOM 536 NE1 TRP A 37 -12.801 1.516 1.386 1.00 0.00 N ATOM 537 CE2 TRP A 37 -11.869 2.516 1.480 1.00 0.00 C ATOM 538 CE3 TRP A 37 -11.542 4.749 0.620 1.00 0.00 C ATOM 539 CZ2 TRP A 37 -10.670 2.563 2.186 1.00 0.00 C ATOM 540 CZ3 TRP A 37 -10.353 4.795 1.322 1.00 0.00 C ATOM 541 CH2 TRP A 37 -9.925 3.708 2.096 1.00 0.00 C ATOM 0 H TRP A 37 -16.645 2.605 0.145 1.00 0.00 H new ATOM 0 HA TRP A 37 -15.535 5.325 0.513 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -14.673 3.431 -1.682 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -13.879 4.891 -1.126 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -14.693 1.346 0.315 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -12.746 0.609 1.849 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -11.862 5.591 0.025 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -10.339 1.726 2.783 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -9.742 5.685 1.273 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -8.990 3.775 2.632 1.00 0.00 H new ATOM 552 N ARG A 38 -18.021 4.787 -0.912 1.00 0.00 N ATOM 553 CA ARG A 38 -19.067 5.176 -1.850 1.00 0.00 C ATOM 554 C ARG A 38 -19.324 6.679 -1.787 1.00 0.00 C ATOM 555 O ARG A 38 -19.644 7.307 -2.795 1.00 0.00 O ATOM 556 CB ARG A 38 -20.359 4.414 -1.550 1.00 0.00 C ATOM 557 CG ARG A 38 -21.169 5.012 -0.412 1.00 0.00 C ATOM 558 CD ARG A 38 -22.443 4.221 -0.159 1.00 0.00 C ATOM 559 NE ARG A 38 -23.433 4.427 -1.212 1.00 0.00 N ATOM 560 CZ ARG A 38 -24.567 3.740 -1.300 1.00 0.00 C ATOM 561 NH1 ARG A 38 -24.852 2.808 -0.402 1.00 0.00 N ATOM 562 NH2 ARG A 38 -25.418 3.985 -2.288 1.00 0.00 N ATOM 0 H ARG A 38 -18.365 4.410 -0.029 1.00 0.00 H new ATOM 0 HA ARG A 38 -18.730 4.925 -2.856 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -20.974 4.391 -2.449 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -20.113 3.381 -1.306 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -20.565 5.031 0.495 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -21.422 6.046 -0.648 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -22.203 3.160 -0.089 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -22.868 4.515 0.801 1.00 0.00 H new ATOM 0 HE ARG A 38 -23.244 5.137 -1.919 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -24.200 2.617 0.359 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -25.723 2.282 -0.472 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -25.202 4.701 -2.981 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -26.288 3.457 -2.354 1.00 0.00 H new ATOM 576 N SER A 39 -19.182 7.248 -0.594 1.00 0.00 N ATOM 577 CA SER A 39 -19.402 8.676 -0.398 1.00 0.00 C ATOM 578 C SER A 39 -18.094 9.451 -0.526 1.00 0.00 C ATOM 579 O SER A 39 -18.093 10.645 -0.821 1.00 0.00 O ATOM 580 CB SER A 39 -20.028 8.933 0.975 1.00 0.00 C ATOM 581 OG SER A 39 -20.193 10.321 1.208 1.00 0.00 O ATOM 0 H SER A 39 -18.916 6.742 0.251 1.00 0.00 H new ATOM 0 HA SER A 39 -20.086 9.022 -1.173 1.00 0.00 H new ATOM 0 HB2 SER A 39 -20.995 8.433 1.037 1.00 0.00 H new ATOM 0 HB3 SER A 39 -19.397 8.503 1.752 1.00 0.00 H new ATOM 0 HG SER A 39 -20.596 10.459 2.091 1.00 0.00 H new ATOM 587 N GLY A 40 -16.980 8.760 -0.301 1.00 0.00 N ATOM 588 CA GLY A 40 -15.680 9.398 -0.396 1.00 0.00 C ATOM 589 C GLY A 40 -15.087 9.709 0.964 1.00 0.00 C ATOM 590 O GLY A 40 -13.869 9.662 1.144 1.00 0.00 O ATOM 0 H GLY A 40 -16.955 7.770 -0.055 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -14.999 8.748 -0.946 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -15.772 10.321 -0.969 1.00 0.00 H new ATOM 594 N LEU A 41 -15.947 10.031 1.924 1.00 0.00 N ATOM 595 CA LEU A 41 -15.501 10.353 3.275 1.00 0.00 C ATOM 596 C LEU A 41 -14.318 9.481 3.680 1.00 0.00 C ATOM 597 O LEU A 41 -13.278 9.986 4.102 1.00 0.00 O ATOM 598 CB LEU A 41 -16.649 10.169 4.269 1.00 0.00 C ATOM 599 CG LEU A 41 -17.855 11.090 4.081 1.00 0.00 C ATOM 600 CD1 LEU A 41 -18.999 10.665 4.988 1.00 0.00 C ATOM 601 CD2 LEU A 41 -17.468 12.537 4.350 1.00 0.00 C ATOM 0 H LEU A 41 -16.957 10.076 1.792 1.00 0.00 H new ATOM 0 HA LEU A 41 -15.181 11.395 3.287 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -16.993 9.136 4.209 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -16.258 10.316 5.276 1.00 0.00 H new ATOM 0 HG LEU A 41 -18.190 11.010 3.047 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -19.848 11.332 4.840 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -19.294 9.644 4.747 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -18.676 10.714 6.028 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -18.338 13.178 4.211 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -17.106 12.633 5.374 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -16.682 12.838 3.658 1.00 0.00 H new ATOM 613 N ALA A 42 -14.483 8.169 3.547 1.00 0.00 N ATOM 614 CA ALA A 42 -13.427 7.227 3.895 1.00 0.00 C ATOM 615 C ALA A 42 -12.059 7.758 3.482 1.00 0.00 C ATOM 616 O ALA A 42 -11.228 8.089 4.329 1.00 0.00 O ATOM 617 CB ALA A 42 -13.689 5.876 3.246 1.00 0.00 C ATOM 0 H ALA A 42 -15.338 7.735 3.201 1.00 0.00 H new ATOM 0 HA ALA A 42 -13.428 7.103 4.978 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -12.892 5.183 3.515 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -14.644 5.484 3.595 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -13.719 5.992 2.163 1.00 0.00 H new ATOM 623 N LEU A 43 -11.830 7.837 2.175 1.00 0.00 N ATOM 624 CA LEU A 43 -10.562 8.328 1.649 1.00 0.00 C ATOM 625 C LEU A 43 -10.267 9.735 2.161 1.00 0.00 C ATOM 626 O LEU A 43 -9.170 10.013 2.646 1.00 0.00 O ATOM 627 CB LEU A 43 -10.586 8.325 0.119 1.00 0.00 C ATOM 628 CG LEU A 43 -9.304 8.787 -0.573 1.00 0.00 C ATOM 629 CD1 LEU A 43 -8.166 7.817 -0.293 1.00 0.00 C ATOM 630 CD2 LEU A 43 -9.528 8.929 -2.072 1.00 0.00 C ATOM 0 H LEU A 43 -12.506 7.567 1.461 1.00 0.00 H new ATOM 0 HA LEU A 43 -9.772 7.662 1.996 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -10.813 7.314 -0.219 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -11.405 8.964 -0.213 1.00 0.00 H new ATOM 0 HG LEU A 43 -9.030 9.763 -0.172 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -7.262 8.163 -0.794 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -7.988 7.765 0.781 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -8.431 6.828 -0.665 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -8.605 9.259 -2.548 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -9.827 7.967 -2.488 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -10.313 9.663 -2.255 1.00 0.00 H new ATOM 642 N CYS A 44 -11.255 10.617 2.052 1.00 0.00 N ATOM 643 CA CYS A 44 -11.102 11.995 2.505 1.00 0.00 C ATOM 644 C CYS A 44 -10.510 12.043 3.910 1.00 0.00 C ATOM 645 O CYS A 44 -9.869 13.021 4.291 1.00 0.00 O ATOM 646 CB CYS A 44 -12.452 12.713 2.483 1.00 0.00 C ATOM 647 SG CYS A 44 -13.028 13.152 0.826 1.00 0.00 S ATOM 0 H CYS A 44 -12.169 10.403 1.654 1.00 0.00 H new ATOM 0 HA CYS A 44 -10.418 12.502 1.825 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -13.198 12.076 2.958 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -12.379 13.620 3.083 1.00 0.00 H new ATOM 0 HG CYS A 44 -14.262 13.557 0.889 1.00 0.00 H new ATOM 653 N ALA A 45 -10.732 10.980 4.676 1.00 0.00 N ATOM 654 CA ALA A 45 -10.220 10.900 6.039 1.00 0.00 C ATOM 655 C ALA A 45 -8.725 10.601 6.047 1.00 0.00 C ATOM 656 O ALA A 45 -7.970 11.181 6.828 1.00 0.00 O ATOM 657 CB ALA A 45 -10.977 9.841 6.826 1.00 0.00 C ATOM 0 H ALA A 45 -11.263 10.162 4.376 1.00 0.00 H new ATOM 0 HA ALA A 45 -10.372 11.868 6.516 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -10.584 9.792 7.842 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -12.036 10.099 6.858 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -10.855 8.872 6.343 1.00 0.00 H new ATOM 663 N ILE A 46 -8.304 9.691 5.174 1.00 0.00 N ATOM 664 CA ILE A 46 -6.898 9.316 5.082 1.00 0.00 C ATOM 665 C ILE A 46 -6.045 10.489 4.612 1.00 0.00 C ATOM 666 O ILE A 46 -5.016 10.801 5.212 1.00 0.00 O ATOM 667 CB ILE A 46 -6.695 8.130 4.120 1.00 0.00 C ATOM 668 CG1 ILE A 46 -7.432 6.893 4.637 1.00 0.00 C ATOM 669 CG2 ILE A 46 -5.212 7.836 3.947 1.00 0.00 C ATOM 670 CD1 ILE A 46 -7.488 5.760 3.636 1.00 0.00 C ATOM 0 H ILE A 46 -8.916 9.201 4.521 1.00 0.00 H new ATOM 0 HA ILE A 46 -6.584 9.021 6.083 1.00 0.00 H new ATOM 0 HB ILE A 46 -7.109 8.396 3.147 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -6.942 6.541 5.545 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -8.448 7.174 4.912 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -5.085 6.996 3.265 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -4.712 8.714 3.538 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -4.775 7.587 4.914 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -8.025 4.917 4.071 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -8.005 6.094 2.736 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -6.475 5.451 3.379 1.00 0.00 H new ATOM 682 N ILE A 47 -6.481 11.136 3.536 1.00 0.00 N ATOM 683 CA ILE A 47 -5.758 12.278 2.988 1.00 0.00 C ATOM 684 C ILE A 47 -5.716 13.432 3.984 1.00 0.00 C ATOM 685 O ILE A 47 -4.647 13.958 4.295 1.00 0.00 O ATOM 686 CB ILE A 47 -6.397 12.770 1.676 1.00 0.00 C ATOM 687 CG1 ILE A 47 -6.371 11.660 0.623 1.00 0.00 C ATOM 688 CG2 ILE A 47 -5.672 14.007 1.166 1.00 0.00 C ATOM 689 CD1 ILE A 47 -7.424 11.822 -0.451 1.00 0.00 C ATOM 0 H ILE A 47 -7.330 10.890 3.027 1.00 0.00 H new ATOM 0 HA ILE A 47 -4.742 11.941 2.784 1.00 0.00 H new ATOM 0 HB ILE A 47 -7.436 13.035 1.872 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -5.387 11.637 0.155 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -6.512 10.698 1.117 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -6.135 14.343 0.238 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -5.736 14.800 1.912 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -4.625 13.765 0.983 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -7.347 11.000 -1.163 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -8.414 11.815 0.006 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -7.271 12.768 -0.971 1.00 0.00 H new ATOM 701 N HIS A 48 -6.886 13.819 4.482 1.00 0.00 N ATOM 702 CA HIS A 48 -6.982 14.910 5.446 1.00 0.00 C ATOM 703 C HIS A 48 -6.143 14.616 6.686 1.00 0.00 C ATOM 704 O HIS A 48 -5.620 15.529 7.324 1.00 0.00 O ATOM 705 CB HIS A 48 -8.440 15.138 5.845 1.00 0.00 C ATOM 706 CG HIS A 48 -8.599 15.840 7.159 1.00 0.00 C ATOM 707 ND1 HIS A 48 -8.084 15.351 8.341 1.00 0.00 N ATOM 708 CD2 HIS A 48 -9.218 17.002 7.473 1.00 0.00 C ATOM 709 CE1 HIS A 48 -8.381 16.181 9.325 1.00 0.00 C ATOM 710 NE2 HIS A 48 -9.069 17.191 8.825 1.00 0.00 N ATOM 0 H HIS A 48 -7.780 13.394 4.235 1.00 0.00 H new ATOM 0 HA HIS A 48 -6.596 15.814 4.974 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -8.934 15.722 5.068 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -8.950 14.176 5.892 1.00 0.00 H new ATOM 0 HD1 HIS A 48 -7.556 14.484 8.440 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -9.733 17.659 6.788 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -8.108 16.055 10.362 1.00 0.00 H new ATOM 719 N ARG A 49 -6.019 13.335 7.020 1.00 0.00 N ATOM 720 CA ARG A 49 -5.246 12.921 8.185 1.00 0.00 C ATOM 721 C ARG A 49 -3.874 13.589 8.191 1.00 0.00 C ATOM 722 O ARG A 49 -3.546 14.348 9.104 1.00 0.00 O ATOM 723 CB ARG A 49 -5.084 11.400 8.201 1.00 0.00 C ATOM 724 CG ARG A 49 -4.787 10.834 9.580 1.00 0.00 C ATOM 725 CD ARG A 49 -3.857 11.744 10.367 1.00 0.00 C ATOM 726 NE ARG A 49 -3.339 11.091 11.567 1.00 0.00 N ATOM 727 CZ ARG A 49 -2.236 11.480 12.197 1.00 0.00 C ATOM 728 NH1 ARG A 49 -1.539 12.513 11.745 1.00 0.00 N ATOM 729 NH2 ARG A 49 -1.828 10.835 13.283 1.00 0.00 N ATOM 0 H ARG A 49 -6.444 12.567 6.501 1.00 0.00 H new ATOM 0 HA ARG A 49 -5.787 13.232 9.079 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -5.996 10.942 7.818 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -4.278 11.122 7.522 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -5.719 10.702 10.129 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -4.334 9.848 9.480 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -3.025 12.049 9.732 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -4.391 12.651 10.650 1.00 0.00 H new ATOM 0 HE ARG A 49 -3.852 10.293 11.941 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -1.849 13.012 10.911 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -0.693 12.809 12.231 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -2.361 10.040 13.635 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -0.981 11.134 13.766 1.00 0.00 H new ATOM 743 N PHE A 50 -3.076 13.302 7.168 1.00 0.00 N ATOM 744 CA PHE A 50 -1.739 13.873 7.056 1.00 0.00 C ATOM 745 C PHE A 50 -1.810 15.371 6.776 1.00 0.00 C ATOM 746 O PHE A 50 -1.189 16.174 7.473 1.00 0.00 O ATOM 747 CB PHE A 50 -0.953 13.172 5.947 1.00 0.00 C ATOM 748 CG PHE A 50 -0.680 11.722 6.231 1.00 0.00 C ATOM 749 CD1 PHE A 50 -1.645 10.760 5.982 1.00 0.00 C ATOM 750 CD2 PHE A 50 0.543 11.322 6.746 1.00 0.00 C ATOM 751 CE1 PHE A 50 -1.397 9.425 6.242 1.00 0.00 C ATOM 752 CE2 PHE A 50 0.797 9.988 7.007 1.00 0.00 C ATOM 753 CZ PHE A 50 -0.175 9.039 6.755 1.00 0.00 C ATOM 0 H PHE A 50 -3.332 12.677 6.404 1.00 0.00 H new ATOM 0 HA PHE A 50 -1.226 13.722 8.006 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -1.508 13.253 5.012 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -0.005 13.690 5.801 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -2.603 11.056 5.580 1.00 0.00 H new ATOM 0 HD2 PHE A 50 1.306 12.060 6.946 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -2.158 8.685 6.044 1.00 0.00 H new ATOM 0 HE2 PHE A 50 1.754 9.688 7.407 1.00 0.00 H new ATOM 0 HZ PHE A 50 0.021 7.997 6.959 1.00 0.00 H new ATOM 763 N ARG A 51 -2.570 15.740 5.750 1.00 0.00 N ATOM 764 CA ARG A 51 -2.721 17.141 5.376 1.00 0.00 C ATOM 765 C ARG A 51 -4.192 17.545 5.365 1.00 0.00 C ATOM 766 O ARG A 51 -4.881 17.447 4.349 1.00 0.00 O ATOM 767 CB ARG A 51 -2.102 17.393 4.000 1.00 0.00 C ATOM 768 CG ARG A 51 -0.631 17.771 4.054 1.00 0.00 C ATOM 769 CD ARG A 51 0.258 16.541 4.146 1.00 0.00 C ATOM 770 NE ARG A 51 1.600 16.795 3.627 1.00 0.00 N ATOM 771 CZ ARG A 51 2.605 15.934 3.737 1.00 0.00 C ATOM 772 NH1 ARG A 51 2.422 14.769 4.344 1.00 0.00 N ATOM 773 NH2 ARG A 51 3.797 16.237 3.239 1.00 0.00 N ATOM 0 H ARG A 51 -3.091 15.088 5.163 1.00 0.00 H new ATOM 0 HA ARG A 51 -2.201 17.747 6.118 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -2.216 16.497 3.390 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -2.655 18.190 3.503 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -0.369 18.345 3.165 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -0.451 18.416 4.914 1.00 0.00 H new ATOM 0 HD2 ARG A 51 0.326 16.220 5.185 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -0.197 15.722 3.589 1.00 0.00 H new ATOM 0 HE ARG A 51 1.774 17.682 3.154 1.00 0.00 H new ATOM 0 HH11 ARG A 51 1.507 14.532 4.728 1.00 0.00 H new ATOM 0 HH12 ARG A 51 3.196 14.110 4.427 1.00 0.00 H new ATOM 0 HH21 ARG A 51 3.942 17.132 2.771 1.00 0.00 H new ATOM 0 HH22 ARG A 51 4.568 15.575 3.324 1.00 0.00 H new ATOM 787 N PRO A 52 -4.687 18.011 6.521 1.00 0.00 N ATOM 788 CA PRO A 52 -6.081 18.439 6.671 1.00 0.00 C ATOM 789 C PRO A 52 -6.375 19.729 5.913 1.00 0.00 C ATOM 790 O PRO A 52 -7.502 20.223 5.925 1.00 0.00 O ATOM 791 CB PRO A 52 -6.225 18.660 8.179 1.00 0.00 C ATOM 792 CG PRO A 52 -4.843 18.957 8.651 1.00 0.00 C ATOM 793 CD PRO A 52 -3.924 18.154 7.772 1.00 0.00 C ATOM 0 HA PRO A 52 -6.778 17.706 6.266 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -6.903 19.485 8.395 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -6.631 17.776 8.672 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -4.625 20.022 8.574 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -4.721 18.681 9.698 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -2.976 18.666 7.608 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -3.691 17.185 8.213 1.00 0.00 H new ATOM 801 N GLU A 53 -5.355 20.269 5.254 1.00 0.00 N ATOM 802 CA GLU A 53 -5.505 21.503 4.491 1.00 0.00 C ATOM 803 C GLU A 53 -5.989 21.210 3.074 1.00 0.00 C ATOM 804 O GLU A 53 -6.664 22.032 2.453 1.00 0.00 O ATOM 805 CB GLU A 53 -4.179 22.264 4.443 1.00 0.00 C ATOM 806 CG GLU A 53 -4.201 23.466 3.514 1.00 0.00 C ATOM 807 CD GLU A 53 -4.729 24.717 4.191 1.00 0.00 C ATOM 808 OE1 GLU A 53 -5.483 24.583 5.177 1.00 0.00 O ATOM 809 OE2 GLU A 53 -4.388 25.828 3.734 1.00 0.00 O ATOM 0 H GLU A 53 -4.416 19.872 5.233 1.00 0.00 H new ATOM 0 HA GLU A 53 -6.251 22.121 4.991 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -3.924 22.597 5.449 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -3.390 21.583 4.124 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -3.192 23.655 3.146 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -4.820 23.238 2.646 1.00 0.00 H new ATOM 816 N LEU A 54 -5.638 20.033 2.567 1.00 0.00 N ATOM 817 CA LEU A 54 -6.034 19.630 1.222 1.00 0.00 C ATOM 818 C LEU A 54 -7.523 19.301 1.169 1.00 0.00 C ATOM 819 O LEU A 54 -8.205 19.622 0.195 1.00 0.00 O ATOM 820 CB LEU A 54 -5.216 18.420 0.769 1.00 0.00 C ATOM 821 CG LEU A 54 -3.707 18.635 0.654 1.00 0.00 C ATOM 822 CD1 LEU A 54 -2.994 17.310 0.431 1.00 0.00 C ATOM 823 CD2 LEU A 54 -3.390 19.609 -0.471 1.00 0.00 C ATOM 0 H LEU A 54 -5.080 19.341 3.067 1.00 0.00 H new ATOM 0 HA LEU A 54 -5.841 20.464 0.547 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -5.394 17.604 1.469 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -5.592 18.096 -0.201 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.349 19.064 1.590 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -1.921 17.483 0.352 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -3.193 16.644 1.271 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -3.357 16.852 -0.489 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -2.311 19.749 -0.537 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -3.763 19.209 -1.414 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -3.869 20.567 -0.269 1.00 0.00 H new ATOM 835 N ILE A 55 -8.020 18.662 2.222 1.00 0.00 N ATOM 836 CA ILE A 55 -9.428 18.293 2.296 1.00 0.00 C ATOM 837 C ILE A 55 -10.053 18.769 3.603 1.00 0.00 C ATOM 838 O ILE A 55 -9.504 18.548 4.682 1.00 0.00 O ATOM 839 CB ILE A 55 -9.618 16.769 2.175 1.00 0.00 C ATOM 840 CG1 ILE A 55 -9.040 16.265 0.851 1.00 0.00 C ATOM 841 CG2 ILE A 55 -11.092 16.409 2.287 1.00 0.00 C ATOM 842 CD1 ILE A 55 -9.269 14.789 0.615 1.00 0.00 C ATOM 0 H ILE A 55 -7.469 18.389 3.036 1.00 0.00 H new ATOM 0 HA ILE A 55 -9.926 18.781 1.458 1.00 0.00 H new ATOM 0 HB ILE A 55 -9.083 16.284 2.991 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -9.485 16.829 0.031 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -7.969 16.466 0.832 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -11.210 15.329 2.200 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -11.475 16.739 3.253 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -11.648 16.901 1.489 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -8.833 14.502 -0.342 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -8.800 14.216 1.415 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -10.340 14.584 0.602 1.00 0.00 H new ATOM 854 N ASN A 56 -11.206 19.422 3.498 1.00 0.00 N ATOM 855 CA ASN A 56 -11.907 19.929 4.673 1.00 0.00 C ATOM 856 C ASN A 56 -13.063 19.009 5.055 1.00 0.00 C ATOM 857 O ASN A 56 -14.213 19.257 4.694 1.00 0.00 O ATOM 858 CB ASN A 56 -12.431 21.342 4.409 1.00 0.00 C ATOM 859 CG ASN A 56 -12.866 22.044 5.681 1.00 0.00 C ATOM 860 OD1 ASN A 56 -12.800 21.475 6.771 1.00 0.00 O ATOM 861 ND2 ASN A 56 -13.314 23.287 5.547 1.00 0.00 N ATOM 0 H ASN A 56 -11.675 19.613 2.612 1.00 0.00 H new ATOM 0 HA ASN A 56 -11.201 19.960 5.502 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -11.654 21.930 3.921 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -13.273 21.291 3.719 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -13.621 23.810 6.367 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -13.351 23.719 4.624 1.00 0.00 H new ATOM 868 N PHE A 57 -12.748 17.947 5.789 1.00 0.00 N ATOM 869 CA PHE A 57 -13.760 16.989 6.220 1.00 0.00 C ATOM 870 C PHE A 57 -14.835 17.675 7.058 1.00 0.00 C ATOM 871 O PHE A 57 -16.004 17.288 7.024 1.00 0.00 O ATOM 872 CB PHE A 57 -13.113 15.860 7.025 1.00 0.00 C ATOM 873 CG PHE A 57 -13.943 14.609 7.077 1.00 0.00 C ATOM 874 CD1 PHE A 57 -15.095 14.558 7.846 1.00 0.00 C ATOM 875 CD2 PHE A 57 -13.572 13.485 6.357 1.00 0.00 C ATOM 876 CE1 PHE A 57 -15.860 13.408 7.896 1.00 0.00 C ATOM 877 CE2 PHE A 57 -14.334 12.333 6.403 1.00 0.00 C ATOM 878 CZ PHE A 57 -15.480 12.294 7.173 1.00 0.00 C ATOM 0 H PHE A 57 -11.801 17.728 6.098 1.00 0.00 H new ATOM 0 HA PHE A 57 -14.230 16.569 5.331 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -12.142 15.624 6.590 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -12.930 16.208 8.042 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -15.398 15.426 8.412 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -12.677 13.509 5.753 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -16.755 13.380 8.500 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -14.034 11.464 5.837 1.00 0.00 H new ATOM 0 HZ PHE A 57 -16.077 11.395 7.210 1.00 0.00 H new ATOM 888 N ASP A 58 -14.431 18.693 7.809 1.00 0.00 N ATOM 889 CA ASP A 58 -15.359 19.434 8.656 1.00 0.00 C ATOM 890 C ASP A 58 -16.488 20.038 7.827 1.00 0.00 C ATOM 891 O ASP A 58 -17.544 20.385 8.356 1.00 0.00 O ATOM 892 CB ASP A 58 -14.621 20.537 9.416 1.00 0.00 C ATOM 893 CG ASP A 58 -15.381 21.005 10.641 1.00 0.00 C ATOM 894 OD1 ASP A 58 -16.088 20.177 11.252 1.00 0.00 O ATOM 895 OD2 ASP A 58 -15.271 22.200 10.988 1.00 0.00 O ATOM 0 H ASP A 58 -13.467 19.024 7.849 1.00 0.00 H new ATOM 0 HA ASP A 58 -15.792 18.737 9.374 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -13.640 20.171 9.719 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -14.454 21.384 8.750 1.00 0.00 H new ATOM 900 N SER A 59 -16.257 20.162 6.524 1.00 0.00 N ATOM 901 CA SER A 59 -17.252 20.729 5.621 1.00 0.00 C ATOM 902 C SER A 59 -17.954 19.632 4.828 1.00 0.00 C ATOM 903 O SER A 59 -19.135 19.747 4.497 1.00 0.00 O ATOM 904 CB SER A 59 -16.595 21.726 4.664 1.00 0.00 C ATOM 905 OG SER A 59 -16.312 22.951 5.318 1.00 0.00 O ATOM 0 H SER A 59 -15.389 19.877 6.070 1.00 0.00 H new ATOM 0 HA SER A 59 -17.996 21.251 6.222 1.00 0.00 H new ATOM 0 HB2 SER A 59 -15.673 21.301 4.267 1.00 0.00 H new ATOM 0 HB3 SER A 59 -17.254 21.907 3.815 1.00 0.00 H new ATOM 0 HG SER A 59 -15.891 23.570 4.685 1.00 0.00 H new ATOM 911 N LEU A 60 -17.219 18.568 4.524 1.00 0.00 N ATOM 912 CA LEU A 60 -17.769 17.447 3.769 1.00 0.00 C ATOM 913 C LEU A 60 -19.071 16.956 4.395 1.00 0.00 C ATOM 914 O LEU A 60 -19.091 16.519 5.544 1.00 0.00 O ATOM 915 CB LEU A 60 -16.756 16.303 3.705 1.00 0.00 C ATOM 916 CG LEU A 60 -15.464 16.593 2.942 1.00 0.00 C ATOM 917 CD1 LEU A 60 -14.452 15.478 3.162 1.00 0.00 C ATOM 918 CD2 LEU A 60 -15.749 16.770 1.458 1.00 0.00 C ATOM 0 H LEU A 60 -16.240 18.458 4.789 1.00 0.00 H new ATOM 0 HA LEU A 60 -17.981 17.792 2.757 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -16.496 16.017 4.724 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -17.240 15.441 3.246 1.00 0.00 H new ATOM 0 HG LEU A 60 -15.040 17.522 3.324 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -13.539 15.702 2.611 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -14.224 15.398 4.225 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -14.867 14.535 2.808 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -14.818 16.976 0.931 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -16.196 15.858 1.062 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -16.438 17.603 1.317 1.00 0.00 H new ATOM 930 N ASN A 61 -20.154 17.029 3.629 1.00 0.00 N ATOM 931 CA ASN A 61 -21.460 16.590 4.107 1.00 0.00 C ATOM 932 C ASN A 61 -21.853 15.260 3.472 1.00 0.00 C ATOM 933 O ASN A 61 -21.914 15.140 2.249 1.00 0.00 O ATOM 934 CB ASN A 61 -22.521 17.648 3.800 1.00 0.00 C ATOM 935 CG ASN A 61 -23.929 17.085 3.843 1.00 0.00 C ATOM 936 OD1 ASN A 61 -24.116 16.018 4.612 1.00 0.00 O flip ATOM 937 ND2 ASN A 61 -24.837 17.603 3.193 1.00 0.00 N flip ATOM 0 H ASN A 61 -20.153 17.388 2.674 1.00 0.00 H new ATOM 0 HA ASN A 61 -21.396 16.452 5.186 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -22.436 18.463 4.519 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -22.332 18.072 2.814 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -24.648 18.422 2.615 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -25.779 17.213 3.232 1.00 0.00 H new ATOM 944 N GLU A 62 -22.119 14.264 4.312 1.00 0.00 N ATOM 945 CA GLU A 62 -22.506 12.943 3.832 1.00 0.00 C ATOM 946 C GLU A 62 -23.372 13.051 2.581 1.00 0.00 C ATOM 947 O GLU A 62 -23.086 12.427 1.559 1.00 0.00 O ATOM 948 CB GLU A 62 -23.259 12.180 4.923 1.00 0.00 C ATOM 949 CG GLU A 62 -23.691 10.785 4.503 1.00 0.00 C ATOM 950 CD GLU A 62 -23.894 9.857 5.685 1.00 0.00 C ATOM 951 OE1 GLU A 62 -25.011 9.842 6.243 1.00 0.00 O ATOM 952 OE2 GLU A 62 -22.935 9.144 6.051 1.00 0.00 O ATOM 0 H GLU A 62 -22.073 14.347 5.328 1.00 0.00 H new ATOM 0 HA GLU A 62 -21.598 12.397 3.578 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -22.624 12.104 5.806 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -24.140 12.752 5.213 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -24.619 10.852 3.935 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -22.939 10.361 3.838 1.00 0.00 H new ATOM 959 N ASP A 63 -24.432 13.847 2.670 1.00 0.00 N ATOM 960 CA ASP A 63 -25.341 14.038 1.545 1.00 0.00 C ATOM 961 C ASP A 63 -24.582 14.499 0.305 1.00 0.00 C ATOM 962 O ASP A 63 -24.870 14.062 -0.809 1.00 0.00 O ATOM 963 CB ASP A 63 -26.423 15.058 1.905 1.00 0.00 C ATOM 964 CG ASP A 63 -27.105 15.634 0.679 1.00 0.00 C ATOM 965 OD1 ASP A 63 -27.657 14.847 -0.118 1.00 0.00 O ATOM 966 OD2 ASP A 63 -27.087 16.872 0.518 1.00 0.00 O ATOM 0 H ASP A 63 -24.683 14.370 3.509 1.00 0.00 H new ATOM 0 HA ASP A 63 -25.813 13.081 1.324 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -27.169 14.583 2.543 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -25.978 15.867 2.484 1.00 0.00 H new ATOM 971 N ASP A 64 -23.613 15.385 0.506 1.00 0.00 N ATOM 972 CA ASP A 64 -22.812 15.905 -0.596 1.00 0.00 C ATOM 973 C ASP A 64 -21.767 14.885 -1.037 1.00 0.00 C ATOM 974 O ASP A 64 -20.595 15.218 -1.210 1.00 0.00 O ATOM 975 CB ASP A 64 -22.127 17.210 -0.185 1.00 0.00 C ATOM 976 CG ASP A 64 -23.091 18.380 -0.140 1.00 0.00 C ATOM 977 OD1 ASP A 64 -23.814 18.592 -1.135 1.00 0.00 O ATOM 978 OD2 ASP A 64 -23.122 19.082 0.892 1.00 0.00 O ATOM 0 H ASP A 64 -23.363 15.758 1.422 1.00 0.00 H new ATOM 0 HA ASP A 64 -23.478 16.102 -1.436 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -21.668 17.083 0.795 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -21.323 17.432 -0.887 1.00 0.00 H new ATOM 983 N ALA A 65 -22.200 13.642 -1.216 1.00 0.00 N ATOM 984 CA ALA A 65 -21.302 12.573 -1.638 1.00 0.00 C ATOM 985 C ALA A 65 -20.562 12.952 -2.917 1.00 0.00 C ATOM 986 O ALA A 65 -19.331 12.973 -2.950 1.00 0.00 O ATOM 987 CB ALA A 65 -22.078 11.280 -1.839 1.00 0.00 C ATOM 0 H ALA A 65 -23.167 13.350 -1.076 1.00 0.00 H new ATOM 0 HA ALA A 65 -20.563 12.421 -0.852 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -21.395 10.491 -2.154 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -22.556 10.993 -0.902 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -22.839 11.428 -2.605 1.00 0.00 H new ATOM 993 N VAL A 66 -21.319 13.248 -3.968 1.00 0.00 N ATOM 994 CA VAL A 66 -20.735 13.626 -5.249 1.00 0.00 C ATOM 995 C VAL A 66 -19.518 14.524 -5.055 1.00 0.00 C ATOM 996 O VAL A 66 -18.428 14.222 -5.538 1.00 0.00 O ATOM 997 CB VAL A 66 -21.759 14.352 -6.141 1.00 0.00 C ATOM 998 CG1 VAL A 66 -21.083 14.909 -7.385 1.00 0.00 C ATOM 999 CG2 VAL A 66 -22.897 13.416 -6.516 1.00 0.00 C ATOM 0 H VAL A 66 -22.339 13.233 -3.958 1.00 0.00 H new ATOM 0 HA VAL A 66 -20.427 12.703 -5.741 1.00 0.00 H new ATOM 0 HB VAL A 66 -22.177 15.187 -5.579 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -21.822 15.419 -8.003 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -20.306 15.615 -7.092 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -20.636 14.093 -7.952 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -23.611 13.946 -7.146 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -22.499 12.559 -7.060 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -23.398 13.071 -5.611 1.00 0.00 H new ATOM 1009 N GLU A 67 -19.714 15.630 -4.344 1.00 0.00 N ATOM 1010 CA GLU A 67 -18.632 16.573 -4.086 1.00 0.00 C ATOM 1011 C GLU A 67 -17.544 15.932 -3.229 1.00 0.00 C ATOM 1012 O GLU A 67 -16.355 16.068 -3.513 1.00 0.00 O ATOM 1013 CB GLU A 67 -19.172 17.825 -3.391 1.00 0.00 C ATOM 1014 CG GLU A 67 -19.873 18.790 -4.333 1.00 0.00 C ATOM 1015 CD GLU A 67 -20.327 20.058 -3.637 1.00 0.00 C ATOM 1016 OE1 GLU A 67 -21.243 19.975 -2.793 1.00 0.00 O ATOM 1017 OE2 GLU A 67 -19.767 21.133 -3.937 1.00 0.00 O ATOM 0 H GLU A 67 -20.611 15.895 -3.937 1.00 0.00 H new ATOM 0 HA GLU A 67 -18.196 16.857 -5.044 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -19.869 17.524 -2.608 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -18.347 18.343 -2.902 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -19.199 19.049 -5.149 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -20.736 18.295 -4.778 1.00 0.00 H new ATOM 1024 N ASN A 68 -17.962 15.233 -2.178 1.00 0.00 N ATOM 1025 CA ASN A 68 -17.023 14.572 -1.279 1.00 0.00 C ATOM 1026 C ASN A 68 -16.015 13.737 -2.063 1.00 0.00 C ATOM 1027 O ASN A 68 -14.808 13.847 -1.853 1.00 0.00 O ATOM 1028 CB ASN A 68 -17.776 13.682 -0.287 1.00 0.00 C ATOM 1029 CG ASN A 68 -18.634 14.484 0.673 1.00 0.00 C ATOM 1030 OD1 ASN A 68 -18.487 15.701 0.786 1.00 0.00 O ATOM 1031 ND2 ASN A 68 -19.536 13.804 1.370 1.00 0.00 N ATOM 0 H ASN A 68 -18.943 15.110 -1.929 1.00 0.00 H new ATOM 0 HA ASN A 68 -16.481 15.342 -0.729 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -18.406 12.983 -0.836 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -17.060 13.087 0.280 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -20.142 14.290 2.031 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -19.623 12.796 1.244 1.00 0.00 H new ATOM 1038 N ASN A 69 -16.520 12.904 -2.967 1.00 0.00 N ATOM 1039 CA ASN A 69 -15.663 12.051 -3.782 1.00 0.00 C ATOM 1040 C ASN A 69 -14.803 12.886 -4.726 1.00 0.00 C ATOM 1041 O ASN A 69 -13.576 12.796 -4.707 1.00 0.00 O ATOM 1042 CB ASN A 69 -16.510 11.062 -4.586 1.00 0.00 C ATOM 1043 CG ASN A 69 -16.988 9.894 -3.746 1.00 0.00 C ATOM 1044 OD1 ASN A 69 -16.185 9.130 -3.210 1.00 0.00 O ATOM 1045 ND2 ASN A 69 -18.303 9.750 -3.628 1.00 0.00 N ATOM 0 H ASN A 69 -17.518 12.802 -3.154 1.00 0.00 H new ATOM 0 HA ASN A 69 -15.004 11.496 -3.114 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -17.372 11.582 -5.004 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -15.926 10.687 -5.426 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -18.684 8.982 -3.075 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -18.932 10.407 -4.090 1.00 0.00 H new ATOM 1052 N GLN A 70 -15.457 13.699 -5.550 1.00 0.00 N ATOM 1053 CA GLN A 70 -14.752 14.550 -6.501 1.00 0.00 C ATOM 1054 C GLN A 70 -13.598 15.283 -5.824 1.00 0.00 C ATOM 1055 O GLN A 70 -12.532 15.462 -6.414 1.00 0.00 O ATOM 1056 CB GLN A 70 -15.717 15.560 -7.126 1.00 0.00 C ATOM 1057 CG GLN A 70 -15.137 16.294 -8.324 1.00 0.00 C ATOM 1058 CD GLN A 70 -15.146 15.451 -9.584 1.00 0.00 C ATOM 1059 OE1 GLN A 70 -16.205 15.152 -10.138 1.00 0.00 O ATOM 1060 NE2 GLN A 70 -13.963 15.063 -10.046 1.00 0.00 N ATOM 0 H GLN A 70 -16.473 13.786 -5.578 1.00 0.00 H new ATOM 0 HA GLN A 70 -14.343 13.914 -7.286 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -16.625 15.041 -7.433 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -16.007 16.289 -6.369 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -15.708 17.206 -8.498 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -14.114 16.596 -8.100 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -13.110 15.333 -9.556 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -13.907 14.495 -10.891 1.00 0.00 H new ATOM 1069 N LEU A 71 -13.818 15.706 -4.584 1.00 0.00 N ATOM 1070 CA LEU A 71 -12.797 16.420 -3.827 1.00 0.00 C ATOM 1071 C LEU A 71 -11.534 15.576 -3.686 1.00 0.00 C ATOM 1072 O LEU A 71 -10.468 15.950 -4.174 1.00 0.00 O ATOM 1073 CB LEU A 71 -13.329 16.796 -2.443 1.00 0.00 C ATOM 1074 CG LEU A 71 -12.353 17.534 -1.526 1.00 0.00 C ATOM 1075 CD1 LEU A 71 -11.914 18.845 -2.159 1.00 0.00 C ATOM 1076 CD2 LEU A 71 -12.985 17.783 -0.164 1.00 0.00 C ATOM 0 H LEU A 71 -14.695 15.567 -4.082 1.00 0.00 H new ATOM 0 HA LEU A 71 -12.546 17.330 -4.372 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -14.215 17.418 -2.573 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -13.651 15.884 -1.939 1.00 0.00 H new ATOM 0 HG LEU A 71 -11.472 16.908 -1.386 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -11.220 19.356 -1.492 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -11.421 18.643 -3.110 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -12.786 19.477 -2.329 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -12.276 18.309 0.475 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -13.883 18.389 -0.285 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -13.249 16.830 0.294 1.00 0.00 H new ATOM 1088 N ALA A 72 -11.663 14.435 -3.016 1.00 0.00 N ATOM 1089 CA ALA A 72 -10.533 13.536 -2.815 1.00 0.00 C ATOM 1090 C ALA A 72 -9.869 13.183 -4.142 1.00 0.00 C ATOM 1091 O ALA A 72 -8.643 13.107 -4.233 1.00 0.00 O ATOM 1092 CB ALA A 72 -10.985 12.273 -2.097 1.00 0.00 C ATOM 0 H ALA A 72 -12.538 14.112 -2.604 1.00 0.00 H new ATOM 0 HA ALA A 72 -9.798 14.050 -2.196 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -10.131 11.611 -1.954 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -11.407 12.537 -1.127 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -11.741 11.765 -2.695 1.00 0.00 H new ATOM 1098 N PHE A 73 -10.685 12.968 -5.168 1.00 0.00 N ATOM 1099 CA PHE A 73 -10.176 12.622 -6.490 1.00 0.00 C ATOM 1100 C PHE A 73 -9.297 13.739 -7.044 1.00 0.00 C ATOM 1101 O PHE A 73 -8.110 13.539 -7.303 1.00 0.00 O ATOM 1102 CB PHE A 73 -11.335 12.346 -7.450 1.00 0.00 C ATOM 1103 CG PHE A 73 -12.255 11.254 -6.982 1.00 0.00 C ATOM 1104 CD1 PHE A 73 -11.939 10.495 -5.866 1.00 0.00 C ATOM 1105 CD2 PHE A 73 -13.434 10.987 -7.657 1.00 0.00 C ATOM 1106 CE1 PHE A 73 -12.783 9.490 -5.432 1.00 0.00 C ATOM 1107 CE2 PHE A 73 -14.282 9.983 -7.228 1.00 0.00 C ATOM 1108 CZ PHE A 73 -13.955 9.233 -6.115 1.00 0.00 C ATOM 0 H PHE A 73 -11.702 13.027 -5.110 1.00 0.00 H new ATOM 0 HA PHE A 73 -9.570 11.721 -6.394 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -11.910 13.262 -7.585 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -10.931 12.077 -8.426 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -11.023 10.691 -5.329 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -13.694 11.570 -8.528 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -12.526 8.907 -4.560 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -15.199 9.785 -7.763 1.00 0.00 H new ATOM 0 HZ PHE A 73 -14.615 8.447 -5.780 1.00 0.00 H new ATOM 1118 N ASP A 74 -9.888 14.915 -7.225 1.00 0.00 N ATOM 1119 CA ASP A 74 -9.160 16.065 -7.748 1.00 0.00 C ATOM 1120 C ASP A 74 -7.900 16.328 -6.929 1.00 0.00 C ATOM 1121 O ASP A 74 -6.855 16.684 -7.476 1.00 0.00 O ATOM 1122 CB ASP A 74 -10.054 17.306 -7.744 1.00 0.00 C ATOM 1123 CG ASP A 74 -9.539 18.393 -8.668 1.00 0.00 C ATOM 1124 OD1 ASP A 74 -9.120 18.063 -9.797 1.00 0.00 O ATOM 1125 OD2 ASP A 74 -9.556 19.573 -8.262 1.00 0.00 O ATOM 0 H ASP A 74 -10.870 15.097 -7.017 1.00 0.00 H new ATOM 0 HA ASP A 74 -8.866 15.842 -8.774 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -11.063 17.025 -8.046 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -10.122 17.698 -6.729 1.00 0.00 H new ATOM 1130 N VAL A 75 -8.006 16.152 -5.616 1.00 0.00 N ATOM 1131 CA VAL A 75 -6.875 16.370 -4.722 1.00 0.00 C ATOM 1132 C VAL A 75 -5.742 15.394 -5.020 1.00 0.00 C ATOM 1133 O VAL A 75 -4.600 15.799 -5.235 1.00 0.00 O ATOM 1134 CB VAL A 75 -7.290 16.224 -3.246 1.00 0.00 C ATOM 1135 CG1 VAL A 75 -6.074 16.320 -2.337 1.00 0.00 C ATOM 1136 CG2 VAL A 75 -8.325 17.275 -2.877 1.00 0.00 C ATOM 0 H VAL A 75 -8.863 15.859 -5.148 1.00 0.00 H new ATOM 0 HA VAL A 75 -6.527 17.388 -4.894 1.00 0.00 H new ATOM 0 HB VAL A 75 -7.740 15.240 -3.109 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -6.387 16.215 -1.298 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -5.370 15.526 -2.586 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -5.593 17.288 -2.474 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -8.607 17.157 -1.831 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -7.905 18.269 -3.030 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -9.207 17.154 -3.506 1.00 0.00 H new ATOM 1146 N ALA A 76 -6.067 14.105 -5.030 1.00 0.00 N ATOM 1147 CA ALA A 76 -5.078 13.070 -5.304 1.00 0.00 C ATOM 1148 C ALA A 76 -4.536 13.191 -6.724 1.00 0.00 C ATOM 1149 O ALA A 76 -3.468 12.666 -7.037 1.00 0.00 O ATOM 1150 CB ALA A 76 -5.681 11.691 -5.082 1.00 0.00 C ATOM 0 H ALA A 76 -7.008 13.753 -4.851 1.00 0.00 H new ATOM 0 HA ALA A 76 -4.246 13.205 -4.613 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -4.931 10.928 -5.290 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -6.012 11.601 -4.047 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -6.532 11.555 -5.749 1.00 0.00 H new ATOM 1156 N GLU A 77 -5.280 13.884 -7.580 1.00 0.00 N ATOM 1157 CA GLU A 77 -4.874 14.072 -8.968 1.00 0.00 C ATOM 1158 C GLU A 77 -4.103 15.377 -9.137 1.00 0.00 C ATOM 1159 O GLU A 77 -3.455 15.600 -10.161 1.00 0.00 O ATOM 1160 CB GLU A 77 -6.098 14.066 -9.886 1.00 0.00 C ATOM 1161 CG GLU A 77 -5.771 13.739 -11.333 1.00 0.00 C ATOM 1162 CD GLU A 77 -6.958 13.933 -12.257 1.00 0.00 C ATOM 1163 OE1 GLU A 77 -7.738 14.881 -12.029 1.00 0.00 O ATOM 1164 OE2 GLU A 77 -7.106 13.138 -13.209 1.00 0.00 O ATOM 0 H GLU A 77 -6.167 14.325 -7.337 1.00 0.00 H new ATOM 0 HA GLU A 77 -4.219 13.245 -9.244 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -6.819 13.339 -9.512 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -6.579 15.043 -9.843 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -4.948 14.371 -11.667 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -5.428 12.707 -11.400 1.00 0.00 H new ATOM 1171 N ARG A 78 -4.178 16.238 -8.127 1.00 0.00 N ATOM 1172 CA ARG A 78 -3.489 17.522 -8.165 1.00 0.00 C ATOM 1173 C ARG A 78 -2.142 17.438 -7.452 1.00 0.00 C ATOM 1174 O ARG A 78 -1.192 18.129 -7.818 1.00 0.00 O ATOM 1175 CB ARG A 78 -4.353 18.607 -7.519 1.00 0.00 C ATOM 1176 CG ARG A 78 -3.621 19.923 -7.309 1.00 0.00 C ATOM 1177 CD ARG A 78 -3.451 20.680 -8.616 1.00 0.00 C ATOM 1178 NE ARG A 78 -4.672 21.379 -9.007 1.00 0.00 N ATOM 1179 CZ ARG A 78 -5.010 22.580 -8.552 1.00 0.00 C ATOM 1180 NH1 ARG A 78 -4.221 23.214 -7.695 1.00 0.00 N ATOM 1181 NH2 ARG A 78 -6.138 23.151 -8.955 1.00 0.00 N ATOM 0 H ARG A 78 -4.709 16.069 -7.273 1.00 0.00 H new ATOM 0 HA ARG A 78 -3.312 17.781 -9.209 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -5.228 18.783 -8.145 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -4.717 18.245 -6.557 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -4.174 20.539 -6.600 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -2.643 19.730 -6.869 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -2.638 21.399 -8.515 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -3.164 19.983 -9.404 1.00 0.00 H new ATOM 0 HE ARG A 78 -5.300 20.919 -9.666 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -3.352 22.779 -7.384 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -4.483 24.136 -7.347 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -6.747 22.667 -9.615 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -6.396 24.073 -8.605 1.00 0.00 H new ATOM 1195 N GLU A 79 -2.069 16.587 -6.434 1.00 0.00 N ATOM 1196 CA GLU A 79 -0.839 16.414 -5.670 1.00 0.00 C ATOM 1197 C GLU A 79 -0.106 15.147 -6.099 1.00 0.00 C ATOM 1198 O GLU A 79 1.067 15.191 -6.470 1.00 0.00 O ATOM 1199 CB GLU A 79 -1.147 16.355 -4.172 1.00 0.00 C ATOM 1200 CG GLU A 79 -1.790 17.622 -3.633 1.00 0.00 C ATOM 1201 CD GLU A 79 -0.769 18.656 -3.199 1.00 0.00 C ATOM 1202 OE1 GLU A 79 -0.128 18.452 -2.147 1.00 0.00 O ATOM 1203 OE2 GLU A 79 -0.612 19.669 -3.913 1.00 0.00 O ATOM 0 H GLU A 79 -2.847 16.007 -6.119 1.00 0.00 H new ATOM 0 HA GLU A 79 -0.195 17.271 -5.868 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -1.809 15.511 -3.979 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -0.222 16.166 -3.627 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -2.434 18.053 -4.400 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -2.428 17.369 -2.786 1.00 0.00 H new ATOM 1210 N PHE A 80 -0.805 14.018 -6.046 1.00 0.00 N ATOM 1211 CA PHE A 80 -0.221 12.738 -6.428 1.00 0.00 C ATOM 1212 C PHE A 80 -0.315 12.525 -7.936 1.00 0.00 C ATOM 1213 O PHE A 80 0.444 11.747 -8.512 1.00 0.00 O ATOM 1214 CB PHE A 80 -0.925 11.593 -5.695 1.00 0.00 C ATOM 1215 CG PHE A 80 -1.159 11.869 -4.237 1.00 0.00 C ATOM 1216 CD1 PHE A 80 -0.156 12.413 -3.452 1.00 0.00 C ATOM 1217 CD2 PHE A 80 -2.382 11.583 -3.653 1.00 0.00 C ATOM 1218 CE1 PHE A 80 -0.368 12.667 -2.110 1.00 0.00 C ATOM 1219 CE2 PHE A 80 -2.601 11.835 -2.311 1.00 0.00 C ATOM 1220 CZ PHE A 80 -1.592 12.378 -1.539 1.00 0.00 C ATOM 0 H PHE A 80 -1.777 13.964 -5.742 1.00 0.00 H new ATOM 0 HA PHE A 80 0.832 12.749 -6.145 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -1.882 11.397 -6.178 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -0.327 10.687 -5.794 1.00 0.00 H new ATOM 0 HD1 PHE A 80 0.803 12.641 -3.894 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -3.174 11.158 -4.253 1.00 0.00 H new ATOM 0 HE1 PHE A 80 0.423 13.091 -1.509 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -3.559 11.608 -1.867 1.00 0.00 H new ATOM 0 HZ PHE A 80 -1.760 12.576 -0.491 1.00 0.00 H new ATOM 1230 N GLY A 81 -1.253 13.224 -8.569 1.00 0.00 N ATOM 1231 CA GLY A 81 -1.430 13.097 -10.004 1.00 0.00 C ATOM 1232 C GLY A 81 -2.084 11.787 -10.394 1.00 0.00 C ATOM 1233 O GLY A 81 -2.060 11.398 -11.562 1.00 0.00 O ATOM 0 H GLY A 81 -1.893 13.875 -8.114 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -2.039 13.925 -10.367 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -0.460 13.175 -10.495 1.00 0.00 H new ATOM 1237 N ILE A 82 -2.668 11.104 -9.416 1.00 0.00 N ATOM 1238 CA ILE A 82 -3.331 9.830 -9.663 1.00 0.00 C ATOM 1239 C ILE A 82 -4.786 10.037 -10.070 1.00 0.00 C ATOM 1240 O ILE A 82 -5.610 10.520 -9.294 1.00 0.00 O ATOM 1241 CB ILE A 82 -3.281 8.919 -8.423 1.00 0.00 C ATOM 1242 CG1 ILE A 82 -1.835 8.738 -7.954 1.00 0.00 C ATOM 1243 CG2 ILE A 82 -3.916 7.571 -8.729 1.00 0.00 C ATOM 1244 CD1 ILE A 82 -1.712 7.960 -6.662 1.00 0.00 C ATOM 0 H ILE A 82 -2.696 11.412 -8.444 1.00 0.00 H new ATOM 0 HA ILE A 82 -2.793 9.348 -10.479 1.00 0.00 H new ATOM 0 HB ILE A 82 -3.848 9.392 -7.621 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -1.270 8.225 -8.733 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -1.378 9.719 -7.823 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -3.873 6.939 -7.842 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -4.956 7.717 -9.020 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -3.375 7.090 -9.544 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -0.660 7.870 -6.390 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -2.248 8.483 -5.870 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -2.139 6.966 -6.794 1.00 0.00 H new ATOM 1256 N PRO A 83 -5.111 9.661 -11.316 1.00 0.00 N ATOM 1257 CA PRO A 83 -6.468 9.793 -11.853 1.00 0.00 C ATOM 1258 C PRO A 83 -7.448 8.824 -11.200 1.00 0.00 C ATOM 1259 O PRO A 83 -7.122 7.671 -10.917 1.00 0.00 O ATOM 1260 CB PRO A 83 -6.296 9.460 -13.338 1.00 0.00 C ATOM 1261 CG PRO A 83 -5.085 8.593 -13.393 1.00 0.00 C ATOM 1262 CD PRO A 83 -4.179 9.077 -12.295 1.00 0.00 C ATOM 0 HA PRO A 83 -6.884 10.784 -11.669 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -7.171 8.943 -13.732 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -6.164 10.363 -13.934 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -5.348 7.545 -13.248 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -4.596 8.667 -14.364 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -3.601 8.261 -11.862 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -3.465 9.815 -12.660 1.00 0.00 H new ATOM 1270 N PRO A 84 -8.677 9.300 -10.954 1.00 0.00 N ATOM 1271 CA PRO A 84 -9.730 8.492 -10.332 1.00 0.00 C ATOM 1272 C PRO A 84 -10.235 7.389 -11.256 1.00 0.00 C ATOM 1273 O PRO A 84 -10.166 7.509 -12.479 1.00 0.00 O ATOM 1274 CB PRO A 84 -10.841 9.507 -10.055 1.00 0.00 C ATOM 1275 CG PRO A 84 -10.622 10.590 -11.054 1.00 0.00 C ATOM 1276 CD PRO A 84 -9.135 10.665 -11.265 1.00 0.00 C ATOM 0 HA PRO A 84 -9.374 7.976 -9.440 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -11.827 9.056 -10.170 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -10.782 9.890 -9.036 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -11.138 10.369 -11.988 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -11.013 11.541 -10.691 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -8.888 10.948 -12.288 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -8.673 11.403 -10.609 1.00 0.00 H new ATOM 1284 N VAL A 85 -10.744 6.313 -10.662 1.00 0.00 N ATOM 1285 CA VAL A 85 -11.263 5.189 -11.432 1.00 0.00 C ATOM 1286 C VAL A 85 -12.701 5.442 -11.873 1.00 0.00 C ATOM 1287 O VAL A 85 -13.094 5.085 -12.984 1.00 0.00 O ATOM 1288 CB VAL A 85 -11.209 3.881 -10.622 1.00 0.00 C ATOM 1289 CG1 VAL A 85 -9.804 3.641 -10.088 1.00 0.00 C ATOM 1290 CG2 VAL A 85 -12.220 3.915 -9.486 1.00 0.00 C ATOM 0 H VAL A 85 -10.808 6.197 -9.651 1.00 0.00 H new ATOM 0 HA VAL A 85 -10.628 5.089 -12.312 1.00 0.00 H new ATOM 0 HB VAL A 85 -11.468 3.054 -11.284 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -9.785 2.712 -9.518 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -9.105 3.570 -10.922 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -9.514 4.469 -9.441 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -12.168 2.982 -8.924 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -11.995 4.751 -8.823 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -13.223 4.036 -9.895 1.00 0.00 H new ATOM 1300 N THR A 86 -13.483 6.060 -10.994 1.00 0.00 N ATOM 1301 CA THR A 86 -14.878 6.360 -11.291 1.00 0.00 C ATOM 1302 C THR A 86 -15.179 7.840 -11.083 1.00 0.00 C ATOM 1303 O THR A 86 -14.396 8.563 -10.465 1.00 0.00 O ATOM 1304 CB THR A 86 -15.831 5.527 -10.414 1.00 0.00 C ATOM 1305 OG1 THR A 86 -17.192 5.824 -10.748 1.00 0.00 O ATOM 1306 CG2 THR A 86 -15.594 5.808 -8.938 1.00 0.00 C ATOM 0 H THR A 86 -13.174 6.363 -10.070 1.00 0.00 H new ATOM 0 HA THR A 86 -15.040 6.102 -12.338 1.00 0.00 H new ATOM 0 HB THR A 86 -15.633 4.472 -10.604 1.00 0.00 H new ATOM 0 HG1 THR A 86 -17.791 5.289 -10.187 1.00 0.00 H new ATOM 0 HG21 THR A 86 -16.279 5.208 -8.339 1.00 0.00 H new ATOM 0 HG22 THR A 86 -14.566 5.552 -8.679 1.00 0.00 H new ATOM 0 HG23 THR A 86 -15.767 6.865 -8.737 1.00 0.00 H new ATOM 1314 N THR A 87 -16.318 8.287 -11.601 1.00 0.00 N ATOM 1315 CA THR A 87 -16.722 9.681 -11.473 1.00 0.00 C ATOM 1316 C THR A 87 -17.558 9.898 -10.216 1.00 0.00 C ATOM 1317 O THR A 87 -18.481 9.136 -9.934 1.00 0.00 O ATOM 1318 CB THR A 87 -17.529 10.148 -12.699 1.00 0.00 C ATOM 1319 OG1 THR A 87 -18.664 9.297 -12.891 1.00 0.00 O ATOM 1320 CG2 THR A 87 -16.665 10.139 -13.951 1.00 0.00 C ATOM 0 H THR A 87 -16.978 7.703 -12.114 1.00 0.00 H new ATOM 0 HA THR A 87 -15.807 10.270 -11.404 1.00 0.00 H new ATOM 0 HB THR A 87 -17.867 11.168 -12.517 1.00 0.00 H new ATOM 0 HG1 THR A 87 -19.173 9.601 -13.671 1.00 0.00 H new ATOM 0 HG21 THR A 87 -17.256 10.472 -14.804 1.00 0.00 H new ATOM 0 HG22 THR A 87 -15.817 10.810 -13.813 1.00 0.00 H new ATOM 0 HG23 THR A 87 -16.301 9.128 -14.135 1.00 0.00 H new ATOM 1328 N GLY A 88 -17.227 10.944 -9.465 1.00 0.00 N ATOM 1329 CA GLY A 88 -17.958 11.243 -8.247 1.00 0.00 C ATOM 1330 C GLY A 88 -19.432 10.907 -8.358 1.00 0.00 C ATOM 1331 O GLY A 88 -19.975 10.177 -7.528 1.00 0.00 O ATOM 0 H GLY A 88 -16.466 11.589 -9.678 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -17.522 10.684 -7.419 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -17.847 12.301 -8.011 1.00 0.00 H new ATOM 1335 N LYS A 89 -20.083 11.442 -9.385 1.00 0.00 N ATOM 1336 CA LYS A 89 -21.504 11.196 -9.603 1.00 0.00 C ATOM 1337 C LYS A 89 -21.813 9.703 -9.544 1.00 0.00 C ATOM 1338 O LYS A 89 -22.644 9.264 -8.751 1.00 0.00 O ATOM 1339 CB LYS A 89 -21.939 11.764 -10.955 1.00 0.00 C ATOM 1340 CG LYS A 89 -22.377 13.217 -10.892 1.00 0.00 C ATOM 1341 CD LYS A 89 -22.879 13.708 -12.239 1.00 0.00 C ATOM 1342 CE LYS A 89 -23.847 14.871 -12.083 1.00 0.00 C ATOM 1343 NZ LYS A 89 -23.176 16.083 -11.537 1.00 0.00 N ATOM 0 H LYS A 89 -19.649 12.049 -10.080 1.00 0.00 H new ATOM 0 HA LYS A 89 -22.060 11.696 -8.810 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -21.113 11.672 -11.661 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -22.760 11.162 -11.345 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -23.165 13.328 -10.147 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -21.541 13.836 -10.567 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -22.033 14.017 -12.853 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -23.372 12.890 -12.765 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -24.290 15.106 -13.050 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -24.662 14.578 -11.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -23.870 16.853 -11.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -22.775 15.866 -10.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -22.414 16.378 -12.181 1.00 0.00 H new ATOM 1357 N GLU A 90 -21.137 8.930 -10.388 1.00 0.00 N ATOM 1358 CA GLU A 90 -21.340 7.486 -10.430 1.00 0.00 C ATOM 1359 C GLU A 90 -21.050 6.856 -9.071 1.00 0.00 C ATOM 1360 O GLU A 90 -21.832 6.049 -8.570 1.00 0.00 O ATOM 1361 CB GLU A 90 -20.447 6.854 -11.500 1.00 0.00 C ATOM 1362 CG GLU A 90 -20.833 7.235 -12.919 1.00 0.00 C ATOM 1363 CD GLU A 90 -22.113 6.563 -13.376 1.00 0.00 C ATOM 1364 OE1 GLU A 90 -23.164 6.792 -12.741 1.00 0.00 O ATOM 1365 OE2 GLU A 90 -22.063 5.807 -14.369 1.00 0.00 O ATOM 0 H GLU A 90 -20.445 9.279 -11.051 1.00 0.00 H new ATOM 0 HA GLU A 90 -22.384 7.299 -10.682 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -19.414 7.152 -11.321 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -20.487 5.769 -11.400 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -20.953 8.317 -12.981 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -20.023 6.965 -13.597 1.00 0.00 H new ATOM 1372 N MET A 91 -19.920 7.231 -8.481 1.00 0.00 N ATOM 1373 CA MET A 91 -19.526 6.703 -7.180 1.00 0.00 C ATOM 1374 C MET A 91 -20.721 6.641 -6.234 1.00 0.00 C ATOM 1375 O MET A 91 -20.897 5.665 -5.505 1.00 0.00 O ATOM 1376 CB MET A 91 -18.422 7.568 -6.568 1.00 0.00 C ATOM 1377 CG MET A 91 -17.655 6.875 -5.453 1.00 0.00 C ATOM 1378 SD MET A 91 -16.721 5.447 -6.035 1.00 0.00 S ATOM 1379 CE MET A 91 -17.449 4.142 -5.048 1.00 0.00 C ATOM 0 H MET A 91 -19.261 7.898 -8.883 1.00 0.00 H new ATOM 0 HA MET A 91 -19.147 5.691 -7.326 1.00 0.00 H new ATOM 0 HB2 MET A 91 -17.723 7.859 -7.352 1.00 0.00 H new ATOM 0 HB3 MET A 91 -18.864 8.485 -6.178 1.00 0.00 H new ATOM 0 HG2 MET A 91 -16.972 7.587 -4.991 1.00 0.00 H new ATOM 0 HG3 MET A 91 -18.354 6.556 -4.680 1.00 0.00 H new ATOM 0 HE1 MET A 91 -17.330 3.188 -5.561 1.00 0.00 H new ATOM 0 HE2 MET A 91 -16.951 4.097 -4.079 1.00 0.00 H new ATOM 0 HE3 MET A 91 -18.510 4.345 -4.901 1.00 0.00 H new ATOM 1389 N ALA A 92 -21.539 7.688 -6.252 1.00 0.00 N ATOM 1390 CA ALA A 92 -22.718 7.750 -5.397 1.00 0.00 C ATOM 1391 C ALA A 92 -23.855 6.910 -5.968 1.00 0.00 C ATOM 1392 O ALA A 92 -24.637 6.317 -5.224 1.00 0.00 O ATOM 1393 CB ALA A 92 -23.165 9.193 -5.218 1.00 0.00 C ATOM 0 H ALA A 92 -21.407 8.504 -6.849 1.00 0.00 H new ATOM 0 HA ALA A 92 -22.451 7.340 -4.423 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -24.046 9.224 -4.577 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -22.362 9.768 -4.758 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -23.408 9.622 -6.190 1.00 0.00 H new ATOM 1399 N SER A 93 -23.942 6.863 -7.294 1.00 0.00 N ATOM 1400 CA SER A 93 -24.987 6.099 -7.965 1.00 0.00 C ATOM 1401 C SER A 93 -24.901 4.621 -7.596 1.00 0.00 C ATOM 1402 O SER A 93 -25.792 4.081 -6.940 1.00 0.00 O ATOM 1403 CB SER A 93 -24.876 6.265 -9.482 1.00 0.00 C ATOM 1404 OG SER A 93 -25.252 7.571 -9.881 1.00 0.00 O ATOM 0 H SER A 93 -23.301 7.345 -7.924 1.00 0.00 H new ATOM 0 HA SER A 93 -25.952 6.483 -7.635 1.00 0.00 H new ATOM 0 HB2 SER A 93 -23.852 6.065 -9.799 1.00 0.00 H new ATOM 0 HB3 SER A 93 -25.512 5.532 -9.979 1.00 0.00 H new ATOM 0 HG SER A 93 -24.552 8.206 -9.622 1.00 0.00 H new ATOM 1410 N ALA A 94 -23.822 3.973 -8.022 1.00 0.00 N ATOM 1411 CA ALA A 94 -23.618 2.558 -7.736 1.00 0.00 C ATOM 1412 C ALA A 94 -23.541 2.308 -6.234 1.00 0.00 C ATOM 1413 O ALA A 94 -22.606 2.753 -5.569 1.00 0.00 O ATOM 1414 CB ALA A 94 -22.355 2.058 -8.422 1.00 0.00 C ATOM 0 H ALA A 94 -23.076 4.405 -8.566 1.00 0.00 H new ATOM 0 HA ALA A 94 -24.473 2.006 -8.126 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -22.215 1.000 -8.200 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -22.448 2.193 -9.500 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -21.496 2.622 -8.059 1.00 0.00 H new ATOM 1420 N GLN A 95 -24.530 1.594 -5.707 1.00 0.00 N ATOM 1421 CA GLN A 95 -24.575 1.286 -4.282 1.00 0.00 C ATOM 1422 C GLN A 95 -23.412 0.382 -3.884 1.00 0.00 C ATOM 1423 O GLN A 95 -22.799 0.570 -2.834 1.00 0.00 O ATOM 1424 CB GLN A 95 -25.903 0.617 -3.924 1.00 0.00 C ATOM 1425 CG GLN A 95 -26.199 -0.626 -4.749 1.00 0.00 C ATOM 1426 CD GLN A 95 -27.456 -1.342 -4.294 1.00 0.00 C ATOM 1427 OE1 GLN A 95 -28.526 -0.741 -4.195 1.00 0.00 O ATOM 1428 NE2 GLN A 95 -27.332 -2.634 -4.013 1.00 0.00 N ATOM 0 H GLN A 95 -25.311 1.218 -6.245 1.00 0.00 H new ATOM 0 HA GLN A 95 -24.489 2.222 -3.731 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -25.892 0.348 -2.868 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -26.711 1.335 -4.061 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -26.304 -0.345 -5.797 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -25.353 -1.310 -4.686 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -26.426 -3.092 -4.109 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -28.143 -3.168 -3.701 1.00 0.00 H new ATOM 1437 N GLU A 96 -23.116 -0.600 -4.730 1.00 0.00 N ATOM 1438 CA GLU A 96 -22.028 -1.533 -4.465 1.00 0.00 C ATOM 1439 C GLU A 96 -21.073 -1.608 -5.653 1.00 0.00 C ATOM 1440 O GLU A 96 -21.302 -2.333 -6.621 1.00 0.00 O ATOM 1441 CB GLU A 96 -22.584 -2.925 -4.156 1.00 0.00 C ATOM 1442 CG GLU A 96 -21.579 -3.848 -3.488 1.00 0.00 C ATOM 1443 CD GLU A 96 -20.751 -4.631 -4.488 1.00 0.00 C ATOM 1444 OE1 GLU A 96 -21.272 -4.934 -5.582 1.00 0.00 O ATOM 1445 OE2 GLU A 96 -19.582 -4.941 -4.177 1.00 0.00 O ATOM 0 H GLU A 96 -23.614 -0.770 -5.604 1.00 0.00 H new ATOM 0 HA GLU A 96 -21.475 -1.169 -3.599 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -23.456 -2.823 -3.510 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -22.926 -3.384 -5.083 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -20.916 -3.259 -2.855 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -22.108 -4.543 -2.836 1.00 0.00 H new ATOM 1452 N PRO A 97 -19.976 -0.840 -5.579 1.00 0.00 N ATOM 1453 CA PRO A 97 -18.964 -0.800 -6.638 1.00 0.00 C ATOM 1454 C PRO A 97 -18.168 -2.098 -6.729 1.00 0.00 C ATOM 1455 O PRO A 97 -18.210 -2.927 -5.820 1.00 0.00 O ATOM 1456 CB PRO A 97 -18.054 0.357 -6.217 1.00 0.00 C ATOM 1457 CG PRO A 97 -18.217 0.448 -4.740 1.00 0.00 C ATOM 1458 CD PRO A 97 -19.639 0.049 -4.454 1.00 0.00 C ATOM 0 HA PRO A 97 -19.411 -0.671 -7.624 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -17.016 0.164 -6.490 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -18.344 1.287 -6.705 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -17.516 -0.212 -4.229 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -18.017 1.460 -4.387 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -19.728 -0.464 -3.496 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -20.299 0.915 -4.414 1.00 0.00 H new ATOM 1466 N ASP A 98 -17.445 -2.267 -7.830 1.00 0.00 N ATOM 1467 CA ASP A 98 -16.638 -3.464 -8.038 1.00 0.00 C ATOM 1468 C ASP A 98 -15.461 -3.502 -7.068 1.00 0.00 C ATOM 1469 O ASP A 98 -14.539 -2.691 -7.161 1.00 0.00 O ATOM 1470 CB ASP A 98 -16.128 -3.517 -9.479 1.00 0.00 C ATOM 1471 CG ASP A 98 -17.170 -3.054 -10.479 1.00 0.00 C ATOM 1472 OD1 ASP A 98 -18.366 -3.337 -10.263 1.00 0.00 O ATOM 1473 OD2 ASP A 98 -16.788 -2.409 -11.478 1.00 0.00 O ATOM 0 H ASP A 98 -17.401 -1.591 -8.592 1.00 0.00 H new ATOM 0 HA ASP A 98 -17.268 -4.333 -7.851 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -15.239 -2.893 -9.570 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -15.827 -4.537 -9.718 1.00 0.00 H new ATOM 1478 N LYS A 99 -15.500 -4.447 -6.135 1.00 0.00 N ATOM 1479 CA LYS A 99 -14.438 -4.592 -5.147 1.00 0.00 C ATOM 1480 C LYS A 99 -13.066 -4.535 -5.810 1.00 0.00 C ATOM 1481 O LYS A 99 -12.067 -4.210 -5.167 1.00 0.00 O ATOM 1482 CB LYS A 99 -14.596 -5.912 -4.388 1.00 0.00 C ATOM 1483 CG LYS A 99 -13.715 -6.014 -3.155 1.00 0.00 C ATOM 1484 CD LYS A 99 -13.731 -7.417 -2.572 1.00 0.00 C ATOM 1485 CE LYS A 99 -12.769 -8.337 -3.307 1.00 0.00 C ATOM 1486 NZ LYS A 99 -12.368 -9.502 -2.471 1.00 0.00 N ATOM 0 H LYS A 99 -16.257 -5.125 -6.042 1.00 0.00 H new ATOM 0 HA LYS A 99 -14.516 -3.764 -4.443 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -15.638 -6.028 -4.090 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -14.363 -6.738 -5.060 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -12.693 -5.738 -3.414 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -14.057 -5.303 -2.403 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -13.462 -7.377 -1.516 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -14.740 -7.824 -2.629 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -13.237 -8.693 -4.225 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -11.881 -7.776 -3.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -11.712 -10.105 -3.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -11.899 -9.164 -1.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -13.212 -10.052 -2.214 1.00 0.00 H new ATOM 1500 N LEU A 100 -13.024 -4.852 -7.100 1.00 0.00 N ATOM 1501 CA LEU A 100 -11.774 -4.835 -7.851 1.00 0.00 C ATOM 1502 C LEU A 100 -11.302 -3.405 -8.091 1.00 0.00 C ATOM 1503 O LEU A 100 -10.264 -2.988 -7.577 1.00 0.00 O ATOM 1504 CB LEU A 100 -11.950 -5.558 -9.188 1.00 0.00 C ATOM 1505 CG LEU A 100 -10.718 -5.603 -10.094 1.00 0.00 C ATOM 1506 CD1 LEU A 100 -9.445 -5.610 -9.263 1.00 0.00 C ATOM 1507 CD2 LEU A 100 -10.770 -6.821 -11.004 1.00 0.00 C ATOM 0 H LEU A 100 -13.841 -5.124 -7.647 1.00 0.00 H new ATOM 0 HA LEU A 100 -11.017 -5.353 -7.262 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -12.265 -6.582 -8.986 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -12.761 -5.077 -9.735 1.00 0.00 H new ATOM 0 HG LEU A 100 -10.716 -4.709 -10.717 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -8.579 -5.642 -9.924 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -9.403 -4.707 -8.654 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -9.439 -6.486 -8.614 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -9.886 -6.837 -11.641 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -10.797 -7.727 -10.398 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -11.664 -6.773 -11.625 1.00 0.00 H new ATOM 1519 N SER A 101 -12.072 -2.657 -8.875 1.00 0.00 N ATOM 1520 CA SER A 101 -11.732 -1.273 -9.185 1.00 0.00 C ATOM 1521 C SER A 101 -11.480 -0.477 -7.908 1.00 0.00 C ATOM 1522 O SER A 101 -10.895 0.606 -7.944 1.00 0.00 O ATOM 1523 CB SER A 101 -12.853 -0.619 -9.994 1.00 0.00 C ATOM 1524 OG SER A 101 -12.356 0.445 -10.787 1.00 0.00 O ATOM 0 H SER A 101 -12.935 -2.986 -9.307 1.00 0.00 H new ATOM 0 HA SER A 101 -10.818 -1.273 -9.779 1.00 0.00 H new ATOM 0 HB2 SER A 101 -13.326 -1.364 -10.634 1.00 0.00 H new ATOM 0 HB3 SER A 101 -13.622 -0.245 -9.319 1.00 0.00 H new ATOM 0 HG SER A 101 -13.092 0.845 -11.296 1.00 0.00 H new ATOM 1530 N MET A 102 -11.926 -1.021 -6.781 1.00 0.00 N ATOM 1531 CA MET A 102 -11.749 -0.363 -5.492 1.00 0.00 C ATOM 1532 C MET A 102 -10.377 -0.679 -4.904 1.00 0.00 C ATOM 1533 O MET A 102 -9.622 0.224 -4.543 1.00 0.00 O ATOM 1534 CB MET A 102 -12.846 -0.796 -4.518 1.00 0.00 C ATOM 1535 CG MET A 102 -14.179 -0.104 -4.757 1.00 0.00 C ATOM 1536 SD MET A 102 -14.063 1.690 -4.630 1.00 0.00 S ATOM 1537 CE MET A 102 -12.999 1.860 -3.199 1.00 0.00 C ATOM 0 H MET A 102 -12.413 -1.916 -6.734 1.00 0.00 H new ATOM 0 HA MET A 102 -11.818 0.713 -5.650 1.00 0.00 H new ATOM 0 HB2 MET A 102 -12.986 -1.874 -4.597 1.00 0.00 H new ATOM 0 HB3 MET A 102 -12.517 -0.591 -3.499 1.00 0.00 H new ATOM 0 HG2 MET A 102 -14.550 -0.371 -5.746 1.00 0.00 H new ATOM 0 HG3 MET A 102 -14.908 -0.469 -4.034 1.00 0.00 H new ATOM 0 HE1 MET A 102 -12.947 2.909 -2.906 1.00 0.00 H new ATOM 0 HE2 MET A 102 -13.402 1.273 -2.374 1.00 0.00 H new ATOM 0 HE3 MET A 102 -11.999 1.502 -3.445 1.00 0.00 H new ATOM 1547 N VAL A 103 -10.062 -1.967 -4.809 1.00 0.00 N ATOM 1548 CA VAL A 103 -8.781 -2.403 -4.266 1.00 0.00 C ATOM 1549 C VAL A 103 -7.624 -1.925 -5.136 1.00 0.00 C ATOM 1550 O VAL A 103 -6.608 -1.449 -4.629 1.00 0.00 O ATOM 1551 CB VAL A 103 -8.716 -3.936 -4.142 1.00 0.00 C ATOM 1552 CG1 VAL A 103 -7.363 -4.372 -3.600 1.00 0.00 C ATOM 1553 CG2 VAL A 103 -9.843 -4.447 -3.257 1.00 0.00 C ATOM 0 H VAL A 103 -10.677 -2.727 -5.101 1.00 0.00 H new ATOM 0 HA VAL A 103 -8.692 -1.962 -3.273 1.00 0.00 H new ATOM 0 HB VAL A 103 -8.839 -4.368 -5.135 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -7.336 -5.459 -3.519 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -6.576 -4.039 -4.276 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -7.206 -3.931 -2.615 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -9.782 -5.533 -3.180 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -9.753 -4.007 -2.264 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -10.803 -4.168 -3.692 1.00 0.00 H new ATOM 1563 N MET A 104 -7.785 -2.054 -6.449 1.00 0.00 N ATOM 1564 CA MET A 104 -6.754 -1.634 -7.390 1.00 0.00 C ATOM 1565 C MET A 104 -6.440 -0.150 -7.226 1.00 0.00 C ATOM 1566 O MET A 104 -5.309 0.283 -7.447 1.00 0.00 O ATOM 1567 CB MET A 104 -7.198 -1.917 -8.827 1.00 0.00 C ATOM 1568 CG MET A 104 -8.147 -0.870 -9.387 1.00 0.00 C ATOM 1569 SD MET A 104 -8.580 -1.176 -11.110 1.00 0.00 S ATOM 1570 CE MET A 104 -7.257 -0.309 -11.951 1.00 0.00 C ATOM 0 H MET A 104 -8.620 -2.446 -6.885 1.00 0.00 H new ATOM 0 HA MET A 104 -5.850 -2.205 -7.178 1.00 0.00 H new ATOM 0 HB2 MET A 104 -6.317 -1.976 -9.466 1.00 0.00 H new ATOM 0 HB3 MET A 104 -7.684 -2.892 -8.863 1.00 0.00 H new ATOM 0 HG2 MET A 104 -9.056 -0.851 -8.786 1.00 0.00 H new ATOM 0 HG3 MET A 104 -7.687 0.115 -9.301 1.00 0.00 H new ATOM 0 HE1 MET A 104 -7.386 -0.406 -13.029 1.00 0.00 H new ATOM 0 HE2 MET A 104 -7.281 0.746 -11.676 1.00 0.00 H new ATOM 0 HE3 MET A 104 -6.298 -0.738 -11.660 1.00 0.00 H new ATOM 1580 N TYR A 105 -7.447 0.623 -6.837 1.00 0.00 N ATOM 1581 CA TYR A 105 -7.279 2.059 -6.646 1.00 0.00 C ATOM 1582 C TYR A 105 -6.654 2.358 -5.288 1.00 0.00 C ATOM 1583 O TYR A 105 -5.516 2.824 -5.203 1.00 0.00 O ATOM 1584 CB TYR A 105 -8.627 2.772 -6.768 1.00 0.00 C ATOM 1585 CG TYR A 105 -8.509 4.276 -6.872 1.00 0.00 C ATOM 1586 CD1 TYR A 105 -7.931 4.872 -7.987 1.00 0.00 C ATOM 1587 CD2 TYR A 105 -8.974 5.101 -5.856 1.00 0.00 C ATOM 1588 CE1 TYR A 105 -7.820 6.245 -8.086 1.00 0.00 C ATOM 1589 CE2 TYR A 105 -8.869 6.476 -5.947 1.00 0.00 C ATOM 1590 CZ TYR A 105 -8.291 7.043 -7.064 1.00 0.00 C ATOM 1591 OH TYR A 105 -8.183 8.411 -7.158 1.00 0.00 O ATOM 0 H TYR A 105 -8.389 0.280 -6.648 1.00 0.00 H new ATOM 0 HA TYR A 105 -6.609 2.427 -7.423 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -9.150 2.395 -7.647 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -9.240 2.523 -5.902 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -7.562 4.251 -8.790 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -9.426 4.660 -4.980 1.00 0.00 H new ATOM 0 HE1 TYR A 105 -7.367 6.692 -8.959 1.00 0.00 H new ATOM 0 HE2 TYR A 105 -9.237 7.103 -5.148 1.00 0.00 H new ATOM 0 HH TYR A 105 -8.564 8.825 -6.355 1.00 0.00 H new ATOM 1601 N LEU A 106 -7.404 2.086 -4.226 1.00 0.00 N ATOM 1602 CA LEU A 106 -6.925 2.325 -2.869 1.00 0.00 C ATOM 1603 C LEU A 106 -5.478 1.867 -2.714 1.00 0.00 C ATOM 1604 O LEU A 106 -4.658 2.559 -2.110 1.00 0.00 O ATOM 1605 CB LEU A 106 -7.813 1.598 -1.858 1.00 0.00 C ATOM 1606 CG LEU A 106 -9.309 1.902 -1.938 1.00 0.00 C ATOM 1607 CD1 LEU A 106 -10.100 0.917 -1.091 1.00 0.00 C ATOM 1608 CD2 LEU A 106 -9.587 3.331 -1.496 1.00 0.00 C ATOM 0 H LEU A 106 -8.347 1.700 -4.278 1.00 0.00 H new ATOM 0 HA LEU A 106 -6.970 3.397 -2.678 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -7.673 0.525 -1.988 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -7.465 1.846 -0.855 1.00 0.00 H new ATOM 0 HG LEU A 106 -9.627 1.795 -2.975 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -11.163 1.149 -1.160 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -9.925 -0.096 -1.453 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -9.779 0.991 -0.052 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -10.657 3.530 -1.559 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -9.253 3.465 -0.467 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -9.050 4.023 -2.145 1.00 0.00 H new ATOM 1620 N SER A 107 -5.171 0.697 -3.265 1.00 0.00 N ATOM 1621 CA SER A 107 -3.823 0.146 -3.187 1.00 0.00 C ATOM 1622 C SER A 107 -2.779 1.221 -3.474 1.00 0.00 C ATOM 1623 O SER A 107 -1.725 1.266 -2.838 1.00 0.00 O ATOM 1624 CB SER A 107 -3.665 -1.012 -4.175 1.00 0.00 C ATOM 1625 OG SER A 107 -4.247 -2.199 -3.666 1.00 0.00 O ATOM 0 H SER A 107 -5.837 0.113 -3.770 1.00 0.00 H new ATOM 0 HA SER A 107 -3.667 -0.226 -2.174 1.00 0.00 H new ATOM 0 HB2 SER A 107 -4.134 -0.751 -5.124 1.00 0.00 H new ATOM 0 HB3 SER A 107 -2.607 -1.180 -4.378 1.00 0.00 H new ATOM 0 HG SER A 107 -5.158 -2.292 -4.014 1.00 0.00 H new ATOM 1631 N LYS A 108 -3.079 2.086 -4.437 1.00 0.00 N ATOM 1632 CA LYS A 108 -2.169 3.162 -4.810 1.00 0.00 C ATOM 1633 C LYS A 108 -1.862 4.055 -3.612 1.00 0.00 C ATOM 1634 O LYS A 108 -0.702 4.364 -3.337 1.00 0.00 O ATOM 1635 CB LYS A 108 -2.771 3.998 -5.941 1.00 0.00 C ATOM 1636 CG LYS A 108 -3.198 3.176 -7.145 1.00 0.00 C ATOM 1637 CD LYS A 108 -3.710 4.059 -8.270 1.00 0.00 C ATOM 1638 CE LYS A 108 -4.094 3.238 -9.492 1.00 0.00 C ATOM 1639 NZ LYS A 108 -4.205 4.082 -10.714 1.00 0.00 N ATOM 0 H LYS A 108 -3.946 2.063 -4.974 1.00 0.00 H new ATOM 0 HA LYS A 108 -1.238 2.713 -5.154 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -3.634 4.543 -5.559 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -2.041 4.742 -6.260 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -2.354 2.585 -7.501 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -3.977 2.474 -6.849 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -4.575 4.626 -7.925 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -2.943 4.783 -8.543 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -3.349 2.459 -9.655 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -5.045 2.737 -9.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -4.468 3.486 -11.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -4.934 4.810 -10.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -3.291 4.540 -10.904 1.00 0.00 H new ATOM 1653 N PHE A 109 -2.907 4.464 -2.902 1.00 0.00 N ATOM 1654 CA PHE A 109 -2.749 5.321 -1.732 1.00 0.00 C ATOM 1655 C PHE A 109 -1.987 4.596 -0.626 1.00 0.00 C ATOM 1656 O PHE A 109 -1.115 5.174 0.023 1.00 0.00 O ATOM 1657 CB PHE A 109 -4.117 5.771 -1.214 1.00 0.00 C ATOM 1658 CG PHE A 109 -4.829 6.712 -2.143 1.00 0.00 C ATOM 1659 CD1 PHE A 109 -4.227 7.891 -2.552 1.00 0.00 C ATOM 1660 CD2 PHE A 109 -6.102 6.419 -2.605 1.00 0.00 C ATOM 1661 CE1 PHE A 109 -4.880 8.759 -3.406 1.00 0.00 C ATOM 1662 CE2 PHE A 109 -6.759 7.283 -3.460 1.00 0.00 C ATOM 1663 CZ PHE A 109 -6.148 8.455 -3.860 1.00 0.00 C ATOM 0 H PHE A 109 -3.873 4.216 -3.116 1.00 0.00 H new ATOM 0 HA PHE A 109 -2.175 6.198 -2.030 1.00 0.00 H new ATOM 0 HB2 PHE A 109 -4.742 4.893 -1.050 1.00 0.00 H new ATOM 0 HB3 PHE A 109 -3.989 6.256 -0.246 1.00 0.00 H new ATOM 0 HD1 PHE A 109 -3.236 8.134 -2.199 1.00 0.00 H new ATOM 0 HD2 PHE A 109 -6.586 5.505 -2.293 1.00 0.00 H new ATOM 0 HE1 PHE A 109 -4.399 9.674 -3.718 1.00 0.00 H new ATOM 0 HE2 PHE A 109 -7.750 7.042 -3.815 1.00 0.00 H new ATOM 0 HZ PHE A 109 -6.661 9.132 -4.527 1.00 0.00 H new ATOM 1673 N TYR A 110 -2.323 3.328 -0.418 1.00 0.00 N ATOM 1674 CA TYR A 110 -1.674 2.525 0.611 1.00 0.00 C ATOM 1675 C TYR A 110 -0.167 2.457 0.379 1.00 0.00 C ATOM 1676 O TYR A 110 0.620 2.901 1.214 1.00 0.00 O ATOM 1677 CB TYR A 110 -2.262 1.113 0.632 1.00 0.00 C ATOM 1678 CG TYR A 110 -1.367 0.094 1.302 1.00 0.00 C ATOM 1679 CD1 TYR A 110 -1.238 0.058 2.685 1.00 0.00 C ATOM 1680 CD2 TYR A 110 -0.652 -0.831 0.552 1.00 0.00 C ATOM 1681 CE1 TYR A 110 -0.421 -0.871 3.301 1.00 0.00 C ATOM 1682 CE2 TYR A 110 0.166 -1.764 1.160 1.00 0.00 C ATOM 1683 CZ TYR A 110 0.278 -1.779 2.535 1.00 0.00 C ATOM 1684 OH TYR A 110 1.093 -2.706 3.144 1.00 0.00 O ATOM 0 H TYR A 110 -3.041 2.834 -0.948 1.00 0.00 H new ATOM 0 HA TYR A 110 -1.854 3.001 1.575 1.00 0.00 H new ATOM 0 HB2 TYR A 110 -3.222 1.136 1.148 1.00 0.00 H new ATOM 0 HB3 TYR A 110 -2.458 0.795 -0.392 1.00 0.00 H new ATOM 0 HD1 TYR A 110 -1.785 0.767 3.288 1.00 0.00 H new ATOM 0 HD2 TYR A 110 -0.737 -0.821 -0.525 1.00 0.00 H new ATOM 0 HE1 TYR A 110 -0.331 -0.885 4.377 1.00 0.00 H new ATOM 0 HE2 TYR A 110 0.714 -2.477 0.562 1.00 0.00 H new ATOM 0 HH TYR A 110 1.512 -3.271 2.462 1.00 0.00 H new ATOM 1694 N GLU A 111 0.225 1.898 -0.761 1.00 0.00 N ATOM 1695 CA GLU A 111 1.637 1.771 -1.103 1.00 0.00 C ATOM 1696 C GLU A 111 2.317 3.137 -1.117 1.00 0.00 C ATOM 1697 O GLU A 111 3.382 3.319 -0.524 1.00 0.00 O ATOM 1698 CB GLU A 111 1.795 1.097 -2.468 1.00 0.00 C ATOM 1699 CG GLU A 111 1.883 -0.418 -2.391 1.00 0.00 C ATOM 1700 CD GLU A 111 2.670 -1.016 -3.540 1.00 0.00 C ATOM 1701 OE1 GLU A 111 3.554 -0.319 -4.081 1.00 0.00 O ATOM 1702 OE2 GLU A 111 2.402 -2.182 -3.899 1.00 0.00 O ATOM 0 H GLU A 111 -0.415 1.526 -1.463 1.00 0.00 H new ATOM 0 HA GLU A 111 2.115 1.153 -0.343 1.00 0.00 H new ATOM 0 HB2 GLU A 111 0.950 1.372 -3.100 1.00 0.00 H new ATOM 0 HB3 GLU A 111 2.693 1.481 -2.952 1.00 0.00 H new ATOM 0 HG2 GLU A 111 2.350 -0.704 -1.448 1.00 0.00 H new ATOM 0 HG3 GLU A 111 0.877 -0.837 -2.388 1.00 0.00 H new ATOM 1709 N LEU A 112 1.697 4.094 -1.797 1.00 0.00 N ATOM 1710 CA LEU A 112 2.242 5.444 -1.889 1.00 0.00 C ATOM 1711 C LEU A 112 2.525 6.013 -0.503 1.00 0.00 C ATOM 1712 O LEU A 112 3.668 6.323 -0.169 1.00 0.00 O ATOM 1713 CB LEU A 112 1.270 6.357 -2.639 1.00 0.00 C ATOM 1714 CG LEU A 112 1.615 7.847 -2.640 1.00 0.00 C ATOM 1715 CD1 LEU A 112 2.698 8.145 -3.665 1.00 0.00 C ATOM 1716 CD2 LEU A 112 0.372 8.682 -2.916 1.00 0.00 C ATOM 0 H LEU A 112 0.816 3.961 -2.293 1.00 0.00 H new ATOM 0 HA LEU A 112 3.182 5.393 -2.439 1.00 0.00 H new ATOM 0 HB2 LEU A 112 1.209 6.018 -3.673 1.00 0.00 H new ATOM 0 HB3 LEU A 112 0.278 6.234 -2.204 1.00 0.00 H new ATOM 0 HG LEU A 112 1.996 8.112 -1.654 1.00 0.00 H new ATOM 0 HD11 LEU A 112 2.930 9.210 -3.651 1.00 0.00 H new ATOM 0 HD12 LEU A 112 3.595 7.575 -3.423 1.00 0.00 H new ATOM 0 HD13 LEU A 112 2.347 7.864 -4.658 1.00 0.00 H new ATOM 0 HD21 LEU A 112 0.636 9.740 -2.913 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -0.038 8.413 -3.889 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -0.373 8.492 -2.143 1.00 0.00 H new ATOM 1728 N PHE A 113 1.476 6.145 0.302 1.00 0.00 N ATOM 1729 CA PHE A 113 1.611 6.675 1.654 1.00 0.00 C ATOM 1730 C PHE A 113 2.605 5.849 2.465 1.00 0.00 C ATOM 1731 O PHE A 113 3.543 6.388 3.053 1.00 0.00 O ATOM 1732 CB PHE A 113 0.252 6.692 2.357 1.00 0.00 C ATOM 1733 CG PHE A 113 -0.536 7.946 2.107 1.00 0.00 C ATOM 1734 CD1 PHE A 113 -0.028 9.183 2.470 1.00 0.00 C ATOM 1735 CD2 PHE A 113 -1.784 7.888 1.508 1.00 0.00 C ATOM 1736 CE1 PHE A 113 -0.752 10.339 2.242 1.00 0.00 C ATOM 1737 CE2 PHE A 113 -2.512 9.040 1.277 1.00 0.00 C ATOM 1738 CZ PHE A 113 -1.995 10.267 1.644 1.00 0.00 C ATOM 0 H PHE A 113 0.523 5.892 0.042 1.00 0.00 H new ATOM 0 HA PHE A 113 1.987 7.695 1.581 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -0.331 5.833 2.024 1.00 0.00 H new ATOM 0 HB3 PHE A 113 0.405 6.576 3.430 1.00 0.00 H new ATOM 0 HD1 PHE A 113 0.944 9.245 2.936 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -2.193 6.931 1.218 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -0.346 11.297 2.531 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -3.484 8.981 0.810 1.00 0.00 H new ATOM 0 HZ PHE A 113 -2.562 11.169 1.464 1.00 0.00 H new ATOM 1748 N ARG A 114 2.392 4.538 2.492 1.00 0.00 N ATOM 1749 CA ARG A 114 3.268 3.636 3.232 1.00 0.00 C ATOM 1750 C ARG A 114 4.734 3.986 2.994 1.00 0.00 C ATOM 1751 O ARG A 114 5.450 4.363 3.921 1.00 0.00 O ATOM 1752 CB ARG A 114 3.006 2.186 2.822 1.00 0.00 C ATOM 1753 CG ARG A 114 3.774 1.170 3.652 1.00 0.00 C ATOM 1754 CD ARG A 114 3.248 -0.240 3.434 1.00 0.00 C ATOM 1755 NE ARG A 114 3.639 -1.143 4.512 1.00 0.00 N ATOM 1756 CZ ARG A 114 4.858 -1.655 4.636 1.00 0.00 C ATOM 1757 NH1 ARG A 114 5.800 -1.354 3.753 1.00 0.00 N ATOM 1758 NH2 ARG A 114 5.138 -2.470 5.645 1.00 0.00 N ATOM 0 H ARG A 114 1.621 4.076 2.010 1.00 0.00 H new ATOM 0 HA ARG A 114 3.052 3.751 4.294 1.00 0.00 H new ATOM 0 HB2 ARG A 114 1.939 1.980 2.908 1.00 0.00 H new ATOM 0 HB3 ARG A 114 3.272 2.060 1.772 1.00 0.00 H new ATOM 0 HG2 ARG A 114 4.831 1.209 3.390 1.00 0.00 H new ATOM 0 HG3 ARG A 114 3.697 1.429 4.708 1.00 0.00 H new ATOM 0 HD2 ARG A 114 2.161 -0.214 3.360 1.00 0.00 H new ATOM 0 HD3 ARG A 114 3.623 -0.624 2.485 1.00 0.00 H new ATOM 0 HE ARG A 114 2.937 -1.395 5.208 1.00 0.00 H new ATOM 0 HH11 ARG A 114 5.589 -0.728 2.976 1.00 0.00 H new ATOM 0 HH12 ARG A 114 6.735 -1.749 3.851 1.00 0.00 H new ATOM 0 HH21 ARG A 114 4.416 -2.704 6.327 1.00 0.00 H new ATOM 0 HH22 ARG A 114 6.075 -2.862 5.739 1.00 0.00 H new