USER MOD reduce.3.24.130724 H: found=0, std=0, add=687, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 689 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 159:sc= 0 (180deg=-0.216) USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.14 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 HIS : no HE2:sc= -3.05! C(o=-3.1!,f=-12!) USER MOD Single : A 37 GLN : amide:sc= -0.784 X(o=-0.78,f=-1.1) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 TYR OH : rot 180:sc= -0.116 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.0367 USER MOD Single : A 67 THR OG1 : rot -160:sc= 0.025 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= -0.657 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot 71:sc= -0.256 USER MOD Single : A 85 THR OG1 : rot 140:sc= -1.05 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 ASN : amide:sc= -2.83! C(o=-2.8!,f=-2.9!) USER MOD Single : A 92 CYS SG : rot 131:sc= -5.96! USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 SER OG : rot -170:sc= -0.163 USER MOD Single : A 100 GLN : amide:sc= 0 K(o=0,f=-1.5) USER MOD Single : A 101 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 107 GLN : amide:sc= -0.178 K(o=-0.18,f=-2!) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 109 CYS SG : rot -37:sc= -8.03! USER MOD ----------------------------------------------------------------- ATOM 101 N TYR A 10 -3.273 -2.263 -8.007 1.00 0.00 N ATOM 102 CA TYR A 10 -4.099 -1.117 -8.347 1.00 0.00 C ATOM 103 C TYR A 10 -3.281 0.175 -8.319 1.00 0.00 C ATOM 104 O TYR A 10 -2.139 0.182 -7.861 1.00 0.00 O ATOM 105 CB TYR A 10 -5.183 -1.044 -7.270 1.00 0.00 C ATOM 106 CG TYR A 10 -6.307 -0.055 -7.585 1.00 0.00 C ATOM 107 CD1 TYR A 10 -6.931 -0.089 -8.815 1.00 0.00 C ATOM 108 CD2 TYR A 10 -6.697 0.871 -6.639 1.00 0.00 C ATOM 109 CE1 TYR A 10 -7.989 0.842 -9.112 1.00 0.00 C ATOM 110 CE2 TYR A 10 -7.756 1.801 -6.935 1.00 0.00 C ATOM 111 CZ TYR A 10 -8.349 1.741 -8.157 1.00 0.00 C ATOM 112 OH TYR A 10 -9.349 2.620 -8.437 1.00 0.00 O ATOM 0 HA TYR A 10 -4.513 -1.226 -9.350 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -5.613 -2.036 -7.134 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -4.722 -0.764 -6.323 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -6.626 -0.814 -9.555 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -6.208 0.898 -5.676 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -8.485 0.827 -10.071 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -8.072 2.529 -6.203 1.00 0.00 H new ATOM 0 HH TYR A 10 -9.500 3.201 -7.663 1.00 0.00 H new ATOM 122 N GLU A 11 -3.896 1.238 -8.816 1.00 0.00 N ATOM 123 CA GLU A 11 -3.240 2.534 -8.854 1.00 0.00 C ATOM 124 C GLU A 11 -4.277 3.651 -8.986 1.00 0.00 C ATOM 125 O GLU A 11 -5.243 3.520 -9.735 1.00 0.00 O ATOM 126 CB GLU A 11 -2.218 2.597 -9.991 1.00 0.00 C ATOM 127 CG GLU A 11 -2.846 2.167 -11.318 1.00 0.00 C ATOM 128 CD GLU A 11 -2.280 0.824 -11.783 1.00 0.00 C ATOM 129 OE1 GLU A 11 -2.521 -0.172 -11.066 1.00 0.00 O ATOM 130 OE2 GLU A 11 -1.620 0.823 -12.844 1.00 0.00 O ATOM 0 H GLU A 11 -4.842 1.228 -9.196 1.00 0.00 H new ATOM 0 HA GLU A 11 -2.702 2.675 -7.917 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -1.830 3.612 -10.080 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -1.371 1.951 -9.759 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -3.927 2.090 -11.205 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -2.658 2.927 -12.076 1.00 0.00 H new ATOM 137 N GLY A 12 -4.040 4.725 -8.247 1.00 0.00 N ATOM 138 CA GLY A 12 -4.941 5.864 -8.272 1.00 0.00 C ATOM 139 C GLY A 12 -4.378 7.027 -7.453 1.00 0.00 C ATOM 140 O GLY A 12 -3.374 6.873 -6.758 1.00 0.00 O ATOM 0 H GLY A 12 -3.237 4.830 -7.627 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -5.100 6.183 -9.302 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -5.913 5.572 -7.875 1.00 0.00 H new ATOM 144 N ILE A 13 -5.048 8.165 -7.562 1.00 0.00 N ATOM 145 CA ILE A 13 -4.626 9.354 -6.840 1.00 0.00 C ATOM 146 C ILE A 13 -4.868 9.149 -5.344 1.00 0.00 C ATOM 147 O ILE A 13 -5.835 8.498 -4.951 1.00 0.00 O ATOM 148 CB ILE A 13 -5.312 10.598 -7.410 1.00 0.00 C ATOM 149 CG1 ILE A 13 -4.691 11.002 -8.748 1.00 0.00 C ATOM 150 CG2 ILE A 13 -5.292 11.746 -6.399 1.00 0.00 C ATOM 151 CD1 ILE A 13 -3.455 11.878 -8.537 1.00 0.00 C ATOM 0 H ILE A 13 -5.880 8.289 -8.139 1.00 0.00 H new ATOM 0 HA ILE A 13 -3.557 9.520 -6.970 1.00 0.00 H new ATOM 0 HB ILE A 13 -6.357 10.355 -7.601 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -4.417 10.109 -9.310 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -5.426 11.542 -9.346 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -5.786 12.618 -6.829 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -5.816 11.442 -5.493 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -4.260 11.997 -6.154 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -3.033 12.151 -9.504 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -3.737 12.781 -7.996 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -2.713 11.327 -7.960 1.00 0.00 H new ATOM 163 N LEU A 14 -3.973 9.717 -4.549 1.00 0.00 N ATOM 164 CA LEU A 14 -4.076 9.605 -3.104 1.00 0.00 C ATOM 165 C LEU A 14 -3.429 10.829 -2.454 1.00 0.00 C ATOM 166 O LEU A 14 -2.237 11.075 -2.634 1.00 0.00 O ATOM 167 CB LEU A 14 -3.492 8.274 -2.627 1.00 0.00 C ATOM 168 CG LEU A 14 -4.450 7.081 -2.628 1.00 0.00 C ATOM 169 CD1 LEU A 14 -3.728 5.797 -2.218 1.00 0.00 C ATOM 170 CD2 LEU A 14 -5.672 7.358 -1.749 1.00 0.00 C ATOM 0 H LEU A 14 -3.173 10.257 -4.879 1.00 0.00 H new ATOM 0 HA LEU A 14 -5.122 9.596 -2.796 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.637 8.029 -3.257 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.113 8.409 -1.614 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.812 6.935 -3.646 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -4.432 4.965 -2.227 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.918 5.595 -2.919 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.318 5.915 -1.215 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.337 6.494 -1.767 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.349 7.545 -0.725 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -6.202 8.232 -2.128 1.00 0.00 H new ATOM 182 N TYR A 15 -4.243 11.565 -1.712 1.00 0.00 N ATOM 183 CA TYR A 15 -3.765 12.758 -1.034 1.00 0.00 C ATOM 184 C TYR A 15 -3.146 12.408 0.320 1.00 0.00 C ATOM 185 O TYR A 15 -3.706 11.616 1.077 1.00 0.00 O ATOM 186 CB TYR A 15 -4.997 13.637 -0.806 1.00 0.00 C ATOM 187 CG TYR A 15 -5.556 14.268 -2.083 1.00 0.00 C ATOM 188 CD1 TYR A 15 -6.053 13.465 -3.089 1.00 0.00 C ATOM 189 CD2 TYR A 15 -5.563 15.640 -2.228 1.00 0.00 C ATOM 190 CE1 TYR A 15 -6.579 14.060 -4.291 1.00 0.00 C ATOM 191 CE2 TYR A 15 -6.088 16.235 -3.430 1.00 0.00 C ATOM 192 CZ TYR A 15 -6.570 15.415 -4.402 1.00 0.00 C ATOM 193 OH TYR A 15 -7.067 15.976 -5.537 1.00 0.00 O ATOM 0 H TYR A 15 -5.231 11.358 -1.565 1.00 0.00 H new ATOM 0 HA TYR A 15 -3.000 13.257 -1.629 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -5.777 13.037 -0.338 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -4.740 14.430 -0.104 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -6.048 12.391 -2.975 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -5.175 16.268 -1.440 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -6.972 13.444 -5.086 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -6.099 17.308 -3.556 1.00 0.00 H new ATOM 0 HH TYR A 15 -6.998 16.952 -5.477 1.00 0.00 H new ATOM 203 N LYS A 16 -1.998 13.015 0.585 1.00 0.00 N ATOM 204 CA LYS A 16 -1.297 12.778 1.835 1.00 0.00 C ATOM 205 C LYS A 16 -1.257 14.074 2.647 1.00 0.00 C ATOM 206 O LYS A 16 -1.029 15.149 2.096 1.00 0.00 O ATOM 207 CB LYS A 16 0.085 12.177 1.568 1.00 0.00 C ATOM 208 CG LYS A 16 0.905 12.095 2.857 1.00 0.00 C ATOM 209 CD LYS A 16 2.019 11.053 2.733 1.00 0.00 C ATOM 210 CE LYS A 16 3.387 11.677 3.015 1.00 0.00 C ATOM 211 NZ LYS A 16 4.311 10.667 3.578 1.00 0.00 N ATOM 0 H LYS A 16 -1.536 13.671 -0.045 1.00 0.00 H new ATOM 0 HA LYS A 16 -1.830 12.041 2.436 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -0.024 11.181 1.138 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.614 12.785 0.834 1.00 0.00 H new ATOM 0 HG2 LYS A 16 1.338 13.070 3.080 1.00 0.00 H new ATOM 0 HG3 LYS A 16 0.253 11.838 3.691 1.00 0.00 H new ATOM 0 HD2 LYS A 16 1.837 10.236 3.431 1.00 0.00 H new ATOM 0 HD3 LYS A 16 2.011 10.624 1.731 1.00 0.00 H new ATOM 0 HE2 LYS A 16 3.803 12.086 2.095 1.00 0.00 H new ATOM 0 HE3 LYS A 16 3.278 12.507 3.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 5.235 11.107 3.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 3.919 10.296 4.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 4.429 9.888 2.899 1.00 0.00 H new ATOM 225 N LYS A 17 -1.484 13.929 3.945 1.00 0.00 N ATOM 226 CA LYS A 17 -1.478 15.074 4.838 1.00 0.00 C ATOM 227 C LYS A 17 -0.057 15.634 4.932 1.00 0.00 C ATOM 228 O LYS A 17 0.908 14.876 5.014 1.00 0.00 O ATOM 229 CB LYS A 17 -2.083 14.700 6.193 1.00 0.00 C ATOM 230 CG LYS A 17 -2.188 15.926 7.103 1.00 0.00 C ATOM 231 CD LYS A 17 -2.938 15.588 8.393 1.00 0.00 C ATOM 232 CE LYS A 17 -3.493 16.852 9.052 1.00 0.00 C ATOM 233 NZ LYS A 17 -2.465 17.481 9.912 1.00 0.00 N ATOM 0 H LYS A 17 -1.673 13.035 4.399 1.00 0.00 H new ATOM 0 HA LYS A 17 -2.109 15.870 4.442 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -3.072 14.266 6.046 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -1.468 13.938 6.672 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -1.190 16.291 7.344 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -2.704 16.730 6.578 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -3.754 14.900 8.174 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -2.268 15.077 9.084 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -3.816 17.557 8.286 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -4.372 16.603 9.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -2.857 18.338 10.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -2.176 16.812 10.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -1.638 17.736 9.335 1.00 0.00 H new ATOM 337 N TRP A 24 -2.945 19.414 1.843 1.00 0.00 N ATOM 338 CA TRP A 24 -2.555 18.034 1.607 1.00 0.00 C ATOM 339 C TRP A 24 -2.090 17.915 0.154 1.00 0.00 C ATOM 340 O TRP A 24 -2.867 18.149 -0.771 1.00 0.00 O ATOM 341 CB TRP A 24 -3.697 17.075 1.949 1.00 0.00 C ATOM 342 CG TRP A 24 -4.091 17.079 3.428 1.00 0.00 C ATOM 343 CD1 TRP A 24 -4.073 18.110 4.284 1.00 0.00 C ATOM 344 CD2 TRP A 24 -4.564 15.951 4.194 1.00 0.00 C ATOM 345 NE1 TRP A 24 -4.499 17.731 5.540 1.00 0.00 N ATOM 346 CE2 TRP A 24 -4.807 16.376 5.484 1.00 0.00 C ATOM 347 CE3 TRP A 24 -4.780 14.616 3.810 1.00 0.00 C ATOM 348 CZ2 TRP A 24 -5.279 15.530 6.495 1.00 0.00 C ATOM 349 CZ3 TRP A 24 -5.251 13.783 4.831 1.00 0.00 C ATOM 350 CH2 TRP A 24 -5.501 14.195 6.135 1.00 0.00 C ATOM 0 HA TRP A 24 -1.730 17.750 2.261 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -4.569 17.337 1.350 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -3.407 16.064 1.664 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -3.764 19.111 4.023 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -4.574 18.334 6.359 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -4.597 14.261 2.806 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -5.462 15.887 7.498 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -5.433 12.746 4.589 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -5.865 13.489 6.867 1.00 0.00 H new ATOM 361 N LYS A 25 -0.826 17.552 -0.002 1.00 0.00 N ATOM 362 CA LYS A 25 -0.249 17.399 -1.326 1.00 0.00 C ATOM 363 C LYS A 25 -0.807 16.133 -1.979 1.00 0.00 C ATOM 364 O LYS A 25 -0.794 15.062 -1.375 1.00 0.00 O ATOM 365 CB LYS A 25 1.279 17.430 -1.252 1.00 0.00 C ATOM 366 CG LYS A 25 1.815 16.222 -0.480 1.00 0.00 C ATOM 367 CD LYS A 25 3.334 16.306 -0.316 1.00 0.00 C ATOM 368 CE LYS A 25 3.706 16.903 1.043 1.00 0.00 C ATOM 369 NZ LYS A 25 4.990 17.634 0.953 1.00 0.00 N ATOM 0 H LYS A 25 -0.185 17.359 0.767 1.00 0.00 H new ATOM 0 HA LYS A 25 -0.532 18.237 -1.963 1.00 0.00 H new ATOM 0 HB2 LYS A 25 1.695 17.436 -2.259 1.00 0.00 H new ATOM 0 HB3 LYS A 25 1.605 18.350 -0.767 1.00 0.00 H new ATOM 0 HG2 LYS A 25 1.342 16.174 0.501 1.00 0.00 H new ATOM 0 HG3 LYS A 25 1.553 15.304 -1.006 1.00 0.00 H new ATOM 0 HD2 LYS A 25 3.769 15.311 -0.412 1.00 0.00 H new ATOM 0 HD3 LYS A 25 3.756 16.917 -1.114 1.00 0.00 H new ATOM 0 HE2 LYS A 25 2.919 17.578 1.378 1.00 0.00 H new ATOM 0 HE3 LYS A 25 3.783 16.110 1.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 5.228 18.033 1.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 5.741 16.980 0.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 4.904 18.403 0.258 1.00 0.00 H new ATOM 383 N ALA A 26 -1.285 16.299 -3.203 1.00 0.00 N ATOM 384 CA ALA A 26 -1.847 15.182 -3.944 1.00 0.00 C ATOM 385 C ALA A 26 -0.748 14.527 -4.783 1.00 0.00 C ATOM 386 O ALA A 26 -0.106 15.188 -5.597 1.00 0.00 O ATOM 387 CB ALA A 26 -3.017 15.674 -4.799 1.00 0.00 C ATOM 0 H ALA A 26 -1.295 17.189 -3.700 1.00 0.00 H new ATOM 0 HA ALA A 26 -2.236 14.426 -3.262 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -3.439 14.837 -5.355 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -3.783 16.104 -4.154 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -2.663 16.432 -5.498 1.00 0.00 H new ATOM 393 N ARG A 27 -0.565 13.234 -4.554 1.00 0.00 N ATOM 394 CA ARG A 27 0.446 12.482 -5.278 1.00 0.00 C ATOM 395 C ARG A 27 -0.166 11.217 -5.883 1.00 0.00 C ATOM 396 O ARG A 27 -1.331 10.908 -5.637 1.00 0.00 O ATOM 397 CB ARG A 27 1.604 12.090 -4.358 1.00 0.00 C ATOM 398 CG ARG A 27 2.301 13.331 -3.795 1.00 0.00 C ATOM 399 CD ARG A 27 3.700 12.988 -3.280 1.00 0.00 C ATOM 400 NE ARG A 27 4.362 14.206 -2.763 1.00 0.00 N ATOM 401 CZ ARG A 27 5.563 14.214 -2.169 1.00 0.00 C ATOM 402 NH1 ARG A 27 6.241 13.069 -2.013 1.00 0.00 N ATOM 403 NH2 ARG A 27 6.086 15.367 -1.730 1.00 0.00 N ATOM 0 H ARG A 27 -1.100 12.689 -3.878 1.00 0.00 H new ATOM 0 HA ARG A 27 0.829 13.121 -6.074 1.00 0.00 H new ATOM 0 HB2 ARG A 27 1.231 11.475 -3.539 1.00 0.00 H new ATOM 0 HB3 ARG A 27 2.322 11.484 -4.910 1.00 0.00 H new ATOM 0 HG2 ARG A 27 2.372 14.095 -4.569 1.00 0.00 H new ATOM 0 HG3 ARG A 27 1.705 13.752 -2.985 1.00 0.00 H new ATOM 0 HD2 ARG A 27 3.633 12.238 -2.492 1.00 0.00 H new ATOM 0 HD3 ARG A 27 4.296 12.553 -4.083 1.00 0.00 H new ATOM 0 HE ARG A 27 3.873 15.096 -2.865 1.00 0.00 H new ATOM 0 HH11 ARG A 27 5.843 12.191 -2.346 1.00 0.00 H new ATOM 0 HH12 ARG A 27 7.155 13.075 -1.561 1.00 0.00 H new ATOM 0 HH21 ARG A 27 5.570 16.239 -1.848 1.00 0.00 H new ATOM 0 HH22 ARG A 27 7.000 15.373 -1.278 1.00 0.00 H new ATOM 417 N TRP A 28 0.647 10.520 -6.663 1.00 0.00 N ATOM 418 CA TRP A 28 0.200 9.295 -7.305 1.00 0.00 C ATOM 419 C TRP A 28 0.759 8.113 -6.510 1.00 0.00 C ATOM 420 O TRP A 28 1.958 7.845 -6.551 1.00 0.00 O ATOM 421 CB TRP A 28 0.607 9.269 -8.779 1.00 0.00 C ATOM 422 CG TRP A 28 0.150 8.016 -9.529 1.00 0.00 C ATOM 423 CD1 TRP A 28 0.889 6.961 -9.899 1.00 0.00 C ATOM 424 CD2 TRP A 28 -1.188 7.728 -9.988 1.00 0.00 C ATOM 425 NE1 TRP A 28 0.129 6.018 -10.561 1.00 0.00 N ATOM 426 CE2 TRP A 28 -1.174 6.500 -10.616 1.00 0.00 C ATOM 427 CE3 TRP A 28 -2.370 8.481 -9.876 1.00 0.00 C ATOM 428 CZ2 TRP A 28 -2.314 5.915 -11.181 1.00 0.00 C ATOM 429 CZ3 TRP A 28 -3.500 7.883 -10.445 1.00 0.00 C ATOM 430 CH2 TRP A 28 -3.503 6.647 -11.081 1.00 0.00 C ATOM 0 H TRP A 28 1.612 10.780 -6.865 1.00 0.00 H new ATOM 0 HA TRP A 28 -0.888 9.233 -7.302 1.00 0.00 H new ATOM 0 HB2 TRP A 28 0.194 10.148 -9.275 1.00 0.00 H new ATOM 0 HB3 TRP A 28 1.692 9.345 -8.847 1.00 0.00 H new ATOM 0 HD1 TRP A 28 1.946 6.861 -9.704 1.00 0.00 H new ATOM 0 HE1 TRP A 28 0.462 5.131 -10.940 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -2.403 9.445 -9.389 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -2.278 4.951 -11.667 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -4.435 8.419 -10.386 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -4.419 6.253 -11.496 1.00 0.00 H new ATOM 441 N PHE A 29 -0.137 7.439 -5.805 1.00 0.00 N ATOM 442 CA PHE A 29 0.251 6.292 -5.002 1.00 0.00 C ATOM 443 C PHE A 29 0.151 4.997 -5.810 1.00 0.00 C ATOM 444 O PHE A 29 -0.390 4.991 -6.915 1.00 0.00 O ATOM 445 CB PHE A 29 -0.722 6.220 -3.824 1.00 0.00 C ATOM 446 CG PHE A 29 -0.326 7.098 -2.634 1.00 0.00 C ATOM 447 CD1 PHE A 29 0.229 8.321 -2.847 1.00 0.00 C ATOM 448 CD2 PHE A 29 -0.528 6.654 -1.365 1.00 0.00 C ATOM 449 CE1 PHE A 29 0.597 9.135 -1.744 1.00 0.00 C ATOM 450 CE2 PHE A 29 -0.160 7.469 -0.261 1.00 0.00 C ATOM 451 CZ PHE A 29 0.394 8.692 -0.474 1.00 0.00 C ATOM 0 H PHE A 29 -1.131 7.665 -5.773 1.00 0.00 H new ATOM 0 HA PHE A 29 1.283 6.403 -4.671 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -1.714 6.516 -4.167 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -0.796 5.185 -3.490 1.00 0.00 H new ATOM 0 HD1 PHE A 29 0.390 8.673 -3.855 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -0.968 5.682 -1.196 1.00 0.00 H new ATOM 0 HE1 PHE A 29 1.038 10.106 -1.913 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -0.320 7.117 0.747 1.00 0.00 H new ATOM 0 HZ PHE A 29 0.673 9.312 0.365 1.00 0.00 H new ATOM 461 N VAL A 30 0.681 3.931 -5.229 1.00 0.00 N ATOM 462 CA VAL A 30 0.658 2.633 -5.882 1.00 0.00 C ATOM 463 C VAL A 30 0.408 1.545 -4.835 1.00 0.00 C ATOM 464 O VAL A 30 1.149 1.436 -3.859 1.00 0.00 O ATOM 465 CB VAL A 30 1.954 2.420 -6.668 1.00 0.00 C ATOM 466 CG1 VAL A 30 2.039 0.991 -7.207 1.00 0.00 C ATOM 467 CG2 VAL A 30 2.082 3.441 -7.800 1.00 0.00 C ATOM 0 H VAL A 30 1.129 3.939 -4.313 1.00 0.00 H new ATOM 0 HA VAL A 30 -0.157 2.583 -6.604 1.00 0.00 H new ATOM 0 HB VAL A 30 2.790 2.571 -5.984 1.00 0.00 H new ATOM 0 HG11 VAL A 30 2.969 0.866 -7.761 1.00 0.00 H new ATOM 0 HG12 VAL A 30 2.015 0.287 -6.376 1.00 0.00 H new ATOM 0 HG13 VAL A 30 1.194 0.801 -7.869 1.00 0.00 H new ATOM 0 HG21 VAL A 30 3.011 3.268 -8.343 1.00 0.00 H new ATOM 0 HG22 VAL A 30 1.238 3.336 -8.482 1.00 0.00 H new ATOM 0 HG23 VAL A 30 2.088 4.448 -7.383 1.00 0.00 H new ATOM 477 N LEU A 31 -0.638 0.768 -5.075 1.00 0.00 N ATOM 478 CA LEU A 31 -0.995 -0.307 -4.165 1.00 0.00 C ATOM 479 C LEU A 31 -0.358 -1.611 -4.649 1.00 0.00 C ATOM 480 O LEU A 31 -0.996 -2.395 -5.351 1.00 0.00 O ATOM 481 CB LEU A 31 -2.514 -0.388 -4.002 1.00 0.00 C ATOM 482 CG LEU A 31 -3.021 -0.715 -2.595 1.00 0.00 C ATOM 483 CD1 LEU A 31 -3.287 -2.214 -2.443 1.00 0.00 C ATOM 484 CD2 LEU A 31 -2.056 -0.193 -1.529 1.00 0.00 C ATOM 0 H LEU A 31 -1.249 0.861 -5.886 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.601 -0.110 -3.168 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.944 0.565 -4.309 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -2.893 -1.145 -4.689 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.972 -0.203 -2.447 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.646 -2.419 -1.435 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.040 -2.525 -3.167 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.364 -2.767 -2.619 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.440 -0.439 -0.539 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.079 -0.657 -1.664 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.961 0.889 -1.623 1.00 0.00 H new ATOM 496 N ASP A 32 0.892 -1.803 -4.255 1.00 0.00 N ATOM 497 CA ASP A 32 1.623 -2.999 -4.640 1.00 0.00 C ATOM 498 C ASP A 32 1.075 -4.198 -3.864 1.00 0.00 C ATOM 499 O ASP A 32 0.861 -4.114 -2.655 1.00 0.00 O ATOM 500 CB ASP A 32 3.111 -2.864 -4.313 1.00 0.00 C ATOM 501 CG ASP A 32 3.835 -4.184 -4.038 1.00 0.00 C ATOM 502 OD1 ASP A 32 3.662 -5.108 -4.862 1.00 0.00 O ATOM 503 OD2 ASP A 32 4.545 -4.238 -3.011 1.00 0.00 O ATOM 0 H ASP A 32 1.418 -1.151 -3.673 1.00 0.00 H new ATOM 0 HA ASP A 32 1.501 -3.138 -5.714 1.00 0.00 H new ATOM 0 HB2 ASP A 32 3.606 -2.362 -5.144 1.00 0.00 H new ATOM 0 HB3 ASP A 32 3.219 -2.219 -3.441 1.00 0.00 H new ATOM 508 N LYS A 33 0.864 -5.286 -4.590 1.00 0.00 N ATOM 509 CA LYS A 33 0.345 -6.501 -3.984 1.00 0.00 C ATOM 510 C LYS A 33 1.395 -7.609 -4.093 1.00 0.00 C ATOM 511 O LYS A 33 1.540 -8.423 -3.183 1.00 0.00 O ATOM 512 CB LYS A 33 -1.006 -6.871 -4.599 1.00 0.00 C ATOM 513 CG LYS A 33 -0.921 -6.914 -6.126 1.00 0.00 C ATOM 514 CD LYS A 33 -1.826 -8.008 -6.695 1.00 0.00 C ATOM 515 CE LYS A 33 -1.148 -9.377 -6.617 1.00 0.00 C ATOM 516 NZ LYS A 33 -1.799 -10.220 -5.589 1.00 0.00 N ATOM 0 H LYS A 33 1.043 -5.352 -5.592 1.00 0.00 H new ATOM 0 HA LYS A 33 0.154 -6.346 -2.922 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -1.327 -7.842 -4.222 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -1.759 -6.145 -4.294 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -1.211 -5.947 -6.537 1.00 0.00 H new ATOM 0 HG3 LYS A 33 0.110 -7.094 -6.431 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -2.765 -8.032 -6.142 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -2.072 -7.779 -7.732 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -1.200 -9.871 -7.587 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -0.092 -9.253 -6.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -1.590 -11.221 -5.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -1.437 -9.962 -4.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -2.828 -10.069 -5.617 1.00 0.00 H new ATOM 530 N THR A 34 2.099 -7.604 -5.216 1.00 0.00 N ATOM 531 CA THR A 34 3.131 -8.598 -5.456 1.00 0.00 C ATOM 532 C THR A 34 4.219 -8.507 -4.384 1.00 0.00 C ATOM 533 O THR A 34 4.715 -9.528 -3.910 1.00 0.00 O ATOM 534 CB THR A 34 3.659 -8.397 -6.877 1.00 0.00 C ATOM 535 OG1 THR A 34 4.366 -7.161 -6.813 1.00 0.00 O ATOM 536 CG2 THR A 34 2.540 -8.135 -7.887 1.00 0.00 C ATOM 0 H THR A 34 1.975 -6.927 -5.969 1.00 0.00 H new ATOM 0 HA THR A 34 2.731 -9.609 -5.383 1.00 0.00 H new ATOM 0 HB THR A 34 4.223 -9.278 -7.182 1.00 0.00 H new ATOM 0 HG1 THR A 34 4.743 -6.954 -7.693 1.00 0.00 H new ATOM 0 HG21 THR A 34 2.970 -7.999 -8.879 1.00 0.00 H new ATOM 0 HG22 THR A 34 1.856 -8.984 -7.901 1.00 0.00 H new ATOM 0 HG23 THR A 34 1.996 -7.235 -7.601 1.00 0.00 H new ATOM 544 N LYS A 35 4.558 -7.275 -4.034 1.00 0.00 N ATOM 545 CA LYS A 35 5.578 -7.038 -3.027 1.00 0.00 C ATOM 546 C LYS A 35 4.912 -6.562 -1.734 1.00 0.00 C ATOM 547 O LYS A 35 5.556 -6.495 -0.689 1.00 0.00 O ATOM 548 CB LYS A 35 6.643 -6.077 -3.560 1.00 0.00 C ATOM 549 CG LYS A 35 7.612 -6.798 -4.499 1.00 0.00 C ATOM 550 CD LYS A 35 8.829 -7.323 -3.734 1.00 0.00 C ATOM 551 CE LYS A 35 9.703 -8.202 -4.630 1.00 0.00 C ATOM 552 NZ LYS A 35 11.135 -7.898 -4.417 1.00 0.00 N ATOM 0 H LYS A 35 4.145 -6.431 -4.430 1.00 0.00 H new ATOM 0 HA LYS A 35 6.104 -7.963 -2.793 1.00 0.00 H new ATOM 0 HB2 LYS A 35 6.163 -5.254 -4.089 1.00 0.00 H new ATOM 0 HB3 LYS A 35 7.195 -5.642 -2.727 1.00 0.00 H new ATOM 0 HG2 LYS A 35 7.101 -7.627 -4.989 1.00 0.00 H new ATOM 0 HG3 LYS A 35 7.938 -6.116 -5.284 1.00 0.00 H new ATOM 0 HD2 LYS A 35 9.415 -6.485 -3.357 1.00 0.00 H new ATOM 0 HD3 LYS A 35 8.499 -7.896 -2.867 1.00 0.00 H new ATOM 0 HE2 LYS A 35 9.513 -9.253 -4.415 1.00 0.00 H new ATOM 0 HE3 LYS A 35 9.442 -8.038 -5.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 11.714 -8.504 -5.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 11.316 -6.899 -4.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 11.384 -8.077 -3.423 1.00 0.00 H new ATOM 566 N HIS A 36 3.631 -6.245 -1.849 1.00 0.00 N ATOM 567 CA HIS A 36 2.870 -5.778 -0.702 1.00 0.00 C ATOM 568 C HIS A 36 3.543 -4.537 -0.111 1.00 0.00 C ATOM 569 O HIS A 36 4.185 -4.614 0.935 1.00 0.00 O ATOM 570 CB HIS A 36 2.689 -6.899 0.323 1.00 0.00 C ATOM 571 CG HIS A 36 1.268 -7.394 0.446 1.00 0.00 C ATOM 572 ND1 HIS A 36 0.561 -7.918 -0.622 1.00 0.00 N ATOM 573 CD2 HIS A 36 0.431 -7.440 1.522 1.00 0.00 C ATOM 574 CE1 HIS A 36 -0.646 -8.260 -0.197 1.00 0.00 C ATOM 575 NE2 HIS A 36 -0.725 -7.963 1.132 1.00 0.00 N ATOM 0 H HIS A 36 3.101 -6.302 -2.718 1.00 0.00 H new ATOM 0 HA HIS A 36 1.868 -5.489 -1.019 1.00 0.00 H new ATOM 0 HB2 HIS A 36 3.332 -7.735 0.049 1.00 0.00 H new ATOM 0 HB3 HIS A 36 3.025 -6.544 1.297 1.00 0.00 H new ATOM 0 HD1 HIS A 36 0.910 -8.023 -1.575 1.00 0.00 H new ATOM 0 HD2 HIS A 36 0.669 -7.107 2.522 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -1.430 -8.697 -0.797 1.00 0.00 H new ATOM 583 N GLN A 37 3.372 -3.423 -0.807 1.00 0.00 N ATOM 584 CA GLN A 37 3.955 -2.167 -0.365 1.00 0.00 C ATOM 585 C GLN A 37 3.169 -0.986 -0.938 1.00 0.00 C ATOM 586 O GLN A 37 2.284 -1.171 -1.772 1.00 0.00 O ATOM 587 CB GLN A 37 5.433 -2.082 -0.751 1.00 0.00 C ATOM 588 CG GLN A 37 6.255 -3.139 -0.011 1.00 0.00 C ATOM 589 CD GLN A 37 7.749 -2.970 -0.296 1.00 0.00 C ATOM 590 OE1 GLN A 37 8.568 -2.848 0.600 1.00 0.00 O ATOM 591 NE2 GLN A 37 8.056 -2.969 -1.590 1.00 0.00 N ATOM 0 H GLN A 37 2.838 -3.364 -1.674 1.00 0.00 H new ATOM 0 HA GLN A 37 3.895 -2.124 0.723 1.00 0.00 H new ATOM 0 HB2 GLN A 37 5.540 -2.221 -1.827 1.00 0.00 H new ATOM 0 HB3 GLN A 37 5.817 -1.089 -0.518 1.00 0.00 H new ATOM 0 HG2 GLN A 37 6.074 -3.060 1.061 1.00 0.00 H new ATOM 0 HG3 GLN A 37 5.933 -4.135 -0.316 1.00 0.00 H new ATOM 0 HE21 GLN A 37 7.321 -3.076 -2.289 1.00 0.00 H new ATOM 0 HE22 GLN A 37 9.027 -2.862 -1.884 1.00 0.00 H new ATOM 600 N LEU A 38 3.522 0.202 -0.468 1.00 0.00 N ATOM 601 CA LEU A 38 2.861 1.413 -0.924 1.00 0.00 C ATOM 602 C LEU A 38 3.900 2.359 -1.528 1.00 0.00 C ATOM 603 O LEU A 38 4.664 2.993 -0.802 1.00 0.00 O ATOM 604 CB LEU A 38 2.046 2.037 0.210 1.00 0.00 C ATOM 605 CG LEU A 38 0.710 2.667 -0.191 1.00 0.00 C ATOM 606 CD1 LEU A 38 -0.374 2.359 0.844 1.00 0.00 C ATOM 607 CD2 LEU A 38 0.862 4.170 -0.432 1.00 0.00 C ATOM 0 H LEU A 38 4.257 0.351 0.224 1.00 0.00 H new ATOM 0 HA LEU A 38 2.144 1.183 -1.712 1.00 0.00 H new ATOM 0 HB2 LEU A 38 1.852 1.268 0.957 1.00 0.00 H new ATOM 0 HB3 LEU A 38 2.656 2.802 0.691 1.00 0.00 H new ATOM 0 HG LEU A 38 0.392 2.221 -1.133 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -1.313 2.818 0.535 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.506 1.280 0.922 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -0.076 2.759 1.813 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.102 4.592 -0.716 1.00 0.00 H new ATOM 0 HD22 LEU A 38 1.215 4.651 0.480 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.582 4.339 -1.233 1.00 0.00 H new ATOM 619 N ARG A 39 3.894 2.426 -2.851 1.00 0.00 N ATOM 620 CA ARG A 39 4.826 3.285 -3.562 1.00 0.00 C ATOM 621 C ARG A 39 4.106 4.526 -4.092 1.00 0.00 C ATOM 622 O ARG A 39 3.113 4.413 -4.809 1.00 0.00 O ATOM 623 CB ARG A 39 5.478 2.543 -4.730 1.00 0.00 C ATOM 624 CG ARG A 39 6.620 1.649 -4.244 1.00 0.00 C ATOM 625 CD ARG A 39 7.346 0.997 -5.423 1.00 0.00 C ATOM 626 NE ARG A 39 8.343 0.022 -4.927 1.00 0.00 N ATOM 627 CZ ARG A 39 9.029 -0.817 -5.714 1.00 0.00 C ATOM 628 NH1 ARG A 39 8.831 -0.806 -7.039 1.00 0.00 N ATOM 629 NH2 ARG A 39 9.914 -1.668 -5.176 1.00 0.00 N ATOM 0 H ARG A 39 3.258 1.899 -3.450 1.00 0.00 H new ATOM 0 HA ARG A 39 5.603 3.585 -2.859 1.00 0.00 H new ATOM 0 HB2 ARG A 39 4.731 1.938 -5.243 1.00 0.00 H new ATOM 0 HB3 ARG A 39 5.858 3.262 -5.455 1.00 0.00 H new ATOM 0 HG2 ARG A 39 7.325 2.240 -3.660 1.00 0.00 H new ATOM 0 HG3 ARG A 39 6.226 0.877 -3.583 1.00 0.00 H new ATOM 0 HD2 ARG A 39 6.627 0.496 -6.072 1.00 0.00 H new ATOM 0 HD3 ARG A 39 7.840 1.761 -6.024 1.00 0.00 H new ATOM 0 HE ARG A 39 8.519 -0.013 -3.923 1.00 0.00 H new ATOM 0 HH11 ARG A 39 8.158 -0.159 -7.449 1.00 0.00 H new ATOM 0 HH12 ARG A 39 9.354 -1.445 -7.638 1.00 0.00 H new ATOM 0 HH21 ARG A 39 10.065 -1.677 -4.167 1.00 0.00 H new ATOM 0 HH22 ARG A 39 10.436 -2.307 -5.775 1.00 0.00 H new ATOM 643 N TYR A 40 4.636 5.682 -3.720 1.00 0.00 N ATOM 644 CA TYR A 40 4.056 6.943 -4.150 1.00 0.00 C ATOM 645 C TYR A 40 5.106 7.828 -4.825 1.00 0.00 C ATOM 646 O TYR A 40 6.262 7.854 -4.406 1.00 0.00 O ATOM 647 CB TYR A 40 3.564 7.637 -2.877 1.00 0.00 C ATOM 648 CG TYR A 40 4.677 7.971 -1.882 1.00 0.00 C ATOM 649 CD1 TYR A 40 5.360 9.166 -1.986 1.00 0.00 C ATOM 650 CD2 TYR A 40 4.997 7.078 -0.879 1.00 0.00 C ATOM 651 CE1 TYR A 40 6.407 9.480 -1.048 1.00 0.00 C ATOM 652 CE2 TYR A 40 6.044 7.393 0.058 1.00 0.00 C ATOM 653 CZ TYR A 40 6.697 8.578 -0.073 1.00 0.00 C ATOM 654 OH TYR A 40 7.686 8.875 0.812 1.00 0.00 O ATOM 0 H TYR A 40 5.460 5.772 -3.126 1.00 0.00 H new ATOM 0 HA TYR A 40 3.255 6.771 -4.869 1.00 0.00 H new ATOM 0 HB2 TYR A 40 3.049 8.557 -3.153 1.00 0.00 H new ATOM 0 HB3 TYR A 40 2.832 6.996 -2.386 1.00 0.00 H new ATOM 0 HD1 TYR A 40 5.110 9.865 -2.770 1.00 0.00 H new ATOM 0 HD2 TYR A 40 4.462 6.143 -0.797 1.00 0.00 H new ATOM 0 HE1 TYR A 40 6.950 10.411 -1.118 1.00 0.00 H new ATOM 0 HE2 TYR A 40 6.305 6.703 0.847 1.00 0.00 H new ATOM 0 HH TYR A 40 7.783 8.140 1.453 1.00 0.00 H new ATOM 664 N TYR A 41 4.665 8.530 -5.858 1.00 0.00 N ATOM 665 CA TYR A 41 5.553 9.414 -6.596 1.00 0.00 C ATOM 666 C TYR A 41 4.931 10.802 -6.760 1.00 0.00 C ATOM 667 O TYR A 41 3.742 10.988 -6.508 1.00 0.00 O ATOM 668 CB TYR A 41 5.727 8.779 -7.977 1.00 0.00 C ATOM 669 CG TYR A 41 6.150 7.309 -7.937 1.00 0.00 C ATOM 670 CD1 TYR A 41 5.276 6.353 -7.462 1.00 0.00 C ATOM 671 CD2 TYR A 41 7.405 6.940 -8.377 1.00 0.00 C ATOM 672 CE1 TYR A 41 5.674 4.969 -7.424 1.00 0.00 C ATOM 673 CE2 TYR A 41 7.803 5.556 -8.339 1.00 0.00 C ATOM 674 CZ TYR A 41 6.917 4.639 -7.865 1.00 0.00 C ATOM 675 OH TYR A 41 7.293 3.333 -7.830 1.00 0.00 O ATOM 0 H TYR A 41 3.705 8.505 -6.202 1.00 0.00 H new ATOM 0 HA TYR A 41 6.500 9.535 -6.070 1.00 0.00 H new ATOM 0 HB2 TYR A 41 4.788 8.862 -8.524 1.00 0.00 H new ATOM 0 HB3 TYR A 41 6.472 9.346 -8.535 1.00 0.00 H new ATOM 0 HD1 TYR A 41 4.294 6.642 -7.119 1.00 0.00 H new ATOM 0 HD2 TYR A 41 8.088 7.689 -8.750 1.00 0.00 H new ATOM 0 HE1 TYR A 41 5.000 4.211 -7.054 1.00 0.00 H new ATOM 0 HE2 TYR A 41 8.782 5.253 -8.679 1.00 0.00 H new ATOM 0 HH TYR A 41 8.206 3.246 -8.177 1.00 0.00 H new ATOM 836 N VAL A 52 8.423 4.037 0.845 1.00 0.00 N ATOM 837 CA VAL A 52 7.594 2.851 0.718 1.00 0.00 C ATOM 838 C VAL A 52 6.905 2.570 2.055 1.00 0.00 C ATOM 839 O VAL A 52 7.445 2.887 3.114 1.00 0.00 O ATOM 840 CB VAL A 52 8.435 1.675 0.220 1.00 0.00 C ATOM 841 CG1 VAL A 52 7.836 0.342 0.673 1.00 0.00 C ATOM 842 CG2 VAL A 52 8.591 1.717 -1.301 1.00 0.00 C ATOM 0 HA VAL A 52 6.811 3.010 -0.024 1.00 0.00 H new ATOM 0 HB VAL A 52 9.428 1.763 0.661 1.00 0.00 H new ATOM 0 HG11 VAL A 52 8.453 -0.478 0.306 1.00 0.00 H new ATOM 0 HG12 VAL A 52 7.801 0.310 1.762 1.00 0.00 H new ATOM 0 HG13 VAL A 52 6.826 0.243 0.275 1.00 0.00 H new ATOM 0 HG21 VAL A 52 9.193 0.870 -1.629 1.00 0.00 H new ATOM 0 HG22 VAL A 52 7.608 1.666 -1.769 1.00 0.00 H new ATOM 0 HG23 VAL A 52 9.083 2.645 -1.591 1.00 0.00 H new ATOM 852 N ILE A 53 5.723 1.979 1.962 1.00 0.00 N ATOM 853 CA ILE A 53 4.955 1.652 3.151 1.00 0.00 C ATOM 854 C ILE A 53 4.672 0.148 3.173 1.00 0.00 C ATOM 855 O ILE A 53 3.712 -0.316 2.560 1.00 0.00 O ATOM 856 CB ILE A 53 3.694 2.515 3.230 1.00 0.00 C ATOM 857 CG1 ILE A 53 3.985 3.951 2.787 1.00 0.00 C ATOM 858 CG2 ILE A 53 3.078 2.461 4.629 1.00 0.00 C ATOM 859 CD1 ILE A 53 2.689 4.749 2.631 1.00 0.00 C ATOM 0 H ILE A 53 5.278 1.718 1.082 1.00 0.00 H new ATOM 0 HA ILE A 53 5.528 1.883 4.049 1.00 0.00 H new ATOM 0 HB ILE A 53 2.957 2.107 2.539 1.00 0.00 H new ATOM 0 HG12 ILE A 53 4.630 4.438 3.519 1.00 0.00 H new ATOM 0 HG13 ILE A 53 4.526 3.941 1.841 1.00 0.00 H new ATOM 0 HG21 ILE A 53 2.183 3.083 4.657 1.00 0.00 H new ATOM 0 HG22 ILE A 53 2.812 1.432 4.870 1.00 0.00 H new ATOM 0 HG23 ILE A 53 3.799 2.830 5.359 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.923 5.766 2.316 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.057 4.273 1.881 1.00 0.00 H new ATOM 0 HD13 ILE A 53 2.162 4.777 3.585 1.00 0.00 H new ATOM 871 N ASP A 54 5.526 -0.572 3.886 1.00 0.00 N ATOM 872 CA ASP A 54 5.380 -2.013 3.995 1.00 0.00 C ATOM 873 C ASP A 54 3.964 -2.344 4.471 1.00 0.00 C ATOM 874 O ASP A 54 3.634 -2.138 5.638 1.00 0.00 O ATOM 875 CB ASP A 54 6.368 -2.591 5.011 1.00 0.00 C ATOM 876 CG ASP A 54 6.748 -1.646 6.153 1.00 0.00 C ATOM 877 OD1 ASP A 54 5.981 -0.685 6.373 1.00 0.00 O ATOM 878 OD2 ASP A 54 7.798 -1.906 6.779 1.00 0.00 O ATOM 0 H ASP A 54 6.321 -0.184 4.394 1.00 0.00 H new ATOM 0 HA ASP A 54 5.575 -2.447 3.014 1.00 0.00 H new ATOM 0 HB2 ASP A 54 5.939 -3.498 5.437 1.00 0.00 H new ATOM 0 HB3 ASP A 54 7.276 -2.885 4.485 1.00 0.00 H new ATOM 883 N LEU A 55 3.166 -2.851 3.543 1.00 0.00 N ATOM 884 CA LEU A 55 1.793 -3.212 3.853 1.00 0.00 C ATOM 885 C LEU A 55 1.788 -4.338 4.888 1.00 0.00 C ATOM 886 O LEU A 55 0.838 -4.475 5.658 1.00 0.00 O ATOM 887 CB LEU A 55 1.025 -3.548 2.574 1.00 0.00 C ATOM 888 CG LEU A 55 0.910 -2.422 1.544 1.00 0.00 C ATOM 889 CD1 LEU A 55 0.319 -2.938 0.231 1.00 0.00 C ATOM 890 CD2 LEU A 55 0.113 -1.244 2.108 1.00 0.00 C ATOM 0 H LEU A 55 3.444 -3.020 2.576 1.00 0.00 H new ATOM 0 HA LEU A 55 1.268 -2.367 4.299 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.508 -4.401 2.098 1.00 0.00 H new ATOM 0 HB3 LEU A 55 0.019 -3.864 2.850 1.00 0.00 H new ATOM 0 HG LEU A 55 1.913 -2.057 1.323 1.00 0.00 H new ATOM 0 HD11 LEU A 55 0.248 -2.118 -0.483 1.00 0.00 H new ATOM 0 HD12 LEU A 55 0.962 -3.719 -0.175 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -0.675 -3.346 0.415 1.00 0.00 H new ATOM 0 HD21 LEU A 55 0.046 -0.457 1.357 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -0.890 -1.578 2.375 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.615 -0.857 2.995 1.00 0.00 H new ATOM 902 N ALA A 56 2.860 -5.117 4.874 1.00 0.00 N ATOM 903 CA ALA A 56 2.990 -6.228 5.801 1.00 0.00 C ATOM 904 C ALA A 56 3.139 -5.684 7.224 1.00 0.00 C ATOM 905 O ALA A 56 3.077 -6.441 8.191 1.00 0.00 O ATOM 906 CB ALA A 56 4.174 -7.104 5.385 1.00 0.00 C ATOM 0 H ALA A 56 3.647 -5.000 4.235 1.00 0.00 H new ATOM 0 HA ALA A 56 2.098 -6.853 5.778 1.00 0.00 H new ATOM 0 HB1 ALA A 56 4.272 -7.938 6.080 1.00 0.00 H new ATOM 0 HB2 ALA A 56 4.006 -7.488 4.379 1.00 0.00 H new ATOM 0 HB3 ALA A 56 5.088 -6.511 5.399 1.00 0.00 H new ATOM 912 N GLU A 57 3.332 -4.376 7.305 1.00 0.00 N ATOM 913 CA GLU A 57 3.490 -3.722 8.593 1.00 0.00 C ATOM 914 C GLU A 57 2.176 -3.062 9.018 1.00 0.00 C ATOM 915 O GLU A 57 1.957 -2.812 10.202 1.00 0.00 O ATOM 916 CB GLU A 57 4.628 -2.701 8.554 1.00 0.00 C ATOM 917 CG GLU A 57 5.987 -3.389 8.708 1.00 0.00 C ATOM 918 CD GLU A 57 7.009 -2.446 9.347 1.00 0.00 C ATOM 919 OE1 GLU A 57 6.783 -1.220 9.259 1.00 0.00 O ATOM 920 OE2 GLU A 57 7.993 -2.974 9.908 1.00 0.00 O ATOM 0 H GLU A 57 3.383 -3.751 6.500 1.00 0.00 H new ATOM 0 HA GLU A 57 3.750 -4.479 9.333 1.00 0.00 H new ATOM 0 HB2 GLU A 57 4.598 -2.153 7.612 1.00 0.00 H new ATOM 0 HB3 GLU A 57 4.494 -1.970 9.352 1.00 0.00 H new ATOM 0 HG2 GLU A 57 5.879 -4.283 9.322 1.00 0.00 H new ATOM 0 HG3 GLU A 57 6.347 -3.714 7.732 1.00 0.00 H new ATOM 927 N VAL A 58 1.336 -2.798 8.028 1.00 0.00 N ATOM 928 CA VAL A 58 0.050 -2.172 8.284 1.00 0.00 C ATOM 929 C VAL A 58 -0.782 -3.080 9.192 1.00 0.00 C ATOM 930 O VAL A 58 -1.035 -4.236 8.857 1.00 0.00 O ATOM 931 CB VAL A 58 -0.647 -1.849 6.961 1.00 0.00 C ATOM 932 CG1 VAL A 58 -2.118 -1.497 7.188 1.00 0.00 C ATOM 933 CG2 VAL A 58 0.078 -0.724 6.219 1.00 0.00 C ATOM 0 H VAL A 58 1.521 -3.006 7.047 1.00 0.00 H new ATOM 0 HA VAL A 58 0.183 -1.224 8.806 1.00 0.00 H new ATOM 0 HB VAL A 58 -0.609 -2.741 6.336 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -2.590 -1.272 6.232 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -2.626 -2.341 7.654 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -2.187 -0.627 7.841 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -0.438 -0.514 5.282 1.00 0.00 H new ATOM 0 HG22 VAL A 58 0.086 0.174 6.837 1.00 0.00 H new ATOM 0 HG23 VAL A 58 1.103 -1.029 6.008 1.00 0.00 H new ATOM 943 N GLU A 59 -1.185 -2.521 10.324 1.00 0.00 N ATOM 944 CA GLU A 59 -1.983 -3.265 11.283 1.00 0.00 C ATOM 945 C GLU A 59 -3.463 -3.209 10.898 1.00 0.00 C ATOM 946 O GLU A 59 -4.226 -4.120 11.217 1.00 0.00 O ATOM 947 CB GLU A 59 -1.765 -2.739 12.703 1.00 0.00 C ATOM 948 CG GLU A 59 -0.424 -3.216 13.265 1.00 0.00 C ATOM 949 CD GLU A 59 -0.518 -4.662 13.756 1.00 0.00 C ATOM 950 OE1 GLU A 59 -0.858 -4.836 14.946 1.00 0.00 O ATOM 951 OE2 GLU A 59 -0.249 -5.561 12.930 1.00 0.00 O ATOM 0 H GLU A 59 -0.974 -1.562 10.598 1.00 0.00 H new ATOM 0 HA GLU A 59 -1.662 -4.306 11.264 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -1.795 -1.649 12.700 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -2.575 -3.078 13.349 1.00 0.00 H new ATOM 0 HG2 GLU A 59 0.345 -3.139 12.496 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -0.119 -2.568 14.087 1.00 0.00 H new ATOM 958 N ALA A 60 -3.825 -2.131 10.219 1.00 0.00 N ATOM 959 CA ALA A 60 -5.200 -1.944 9.788 1.00 0.00 C ATOM 960 C ALA A 60 -5.411 -0.481 9.392 1.00 0.00 C ATOM 961 O ALA A 60 -4.487 0.326 9.470 1.00 0.00 O ATOM 962 CB ALA A 60 -6.149 -2.389 10.902 1.00 0.00 C ATOM 0 H ALA A 60 -3.190 -1.377 9.956 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.415 -2.557 8.913 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -7.181 -2.249 10.579 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -5.979 -3.442 11.126 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -5.965 -1.794 11.796 1.00 0.00 H new ATOM 968 N VAL A 61 -6.633 -0.186 8.974 1.00 0.00 N ATOM 969 CA VAL A 61 -6.978 1.165 8.565 1.00 0.00 C ATOM 970 C VAL A 61 -8.362 1.522 9.111 1.00 0.00 C ATOM 971 O VAL A 61 -9.163 0.637 9.408 1.00 0.00 O ATOM 972 CB VAL A 61 -6.886 1.291 7.043 1.00 0.00 C ATOM 973 CG1 VAL A 61 -7.098 -0.065 6.367 1.00 0.00 C ATOM 974 CG2 VAL A 61 -7.880 2.328 6.517 1.00 0.00 C ATOM 0 H VAL A 61 -7.396 -0.859 8.910 1.00 0.00 H new ATOM 0 HA VAL A 61 -6.270 1.882 8.981 1.00 0.00 H new ATOM 0 HB VAL A 61 -5.882 1.635 6.796 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -7.028 0.053 5.286 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -6.334 -0.764 6.706 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -8.084 -0.451 6.627 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -7.794 2.398 5.433 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -8.894 2.027 6.782 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -7.662 3.299 6.961 1.00 0.00 H new ATOM 984 N ALA A 62 -8.601 2.820 9.227 1.00 0.00 N ATOM 985 CA ALA A 62 -9.874 3.304 9.733 1.00 0.00 C ATOM 986 C ALA A 62 -10.253 4.592 8.999 1.00 0.00 C ATOM 987 O ALA A 62 -9.385 5.395 8.660 1.00 0.00 O ATOM 988 CB ALA A 62 -9.781 3.502 11.247 1.00 0.00 C ATOM 0 H ALA A 62 -7.935 3.551 8.979 1.00 0.00 H new ATOM 0 HA ALA A 62 -10.662 2.574 9.548 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -10.736 3.865 11.626 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -9.539 2.552 11.724 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -9.001 4.230 11.472 1.00 0.00 H new ATOM 994 N PRO A 63 -11.583 4.753 8.769 1.00 0.00 N ATOM 995 CA PRO A 63 -12.088 5.930 8.082 1.00 0.00 C ATOM 996 C PRO A 63 -12.063 7.154 9.000 1.00 0.00 C ATOM 997 O PRO A 63 -13.018 7.404 9.732 1.00 0.00 O ATOM 998 CB PRO A 63 -13.490 5.553 7.633 1.00 0.00 C ATOM 999 CG PRO A 63 -13.892 4.358 8.482 1.00 0.00 C ATOM 1000 CD PRO A 63 -12.640 3.823 9.157 1.00 0.00 C ATOM 0 HA PRO A 63 -11.474 6.214 7.228 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -14.182 6.383 7.775 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -13.506 5.302 6.572 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -14.632 4.651 9.227 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -14.351 3.587 7.863 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -12.758 3.788 10.240 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -12.415 2.809 8.828 1.00 0.00 H new ATOM 1008 N GLY A 64 -10.959 7.883 8.930 1.00 0.00 N ATOM 1009 CA GLY A 64 -10.797 9.075 9.746 1.00 0.00 C ATOM 1010 C GLY A 64 -11.706 10.203 9.254 1.00 0.00 C ATOM 1011 O GLY A 64 -12.533 9.997 8.368 1.00 0.00 O ATOM 0 H GLY A 64 -10.168 7.672 8.321 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -11.029 8.843 10.785 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -9.758 9.402 9.717 1.00 0.00 H new ATOM 1015 N THR A 65 -11.522 11.371 9.853 1.00 0.00 N ATOM 1016 CA THR A 65 -12.315 12.532 9.487 1.00 0.00 C ATOM 1017 C THR A 65 -11.437 13.587 8.812 1.00 0.00 C ATOM 1018 O THR A 65 -10.225 13.619 9.023 1.00 0.00 O ATOM 1019 CB THR A 65 -13.016 13.042 10.748 1.00 0.00 C ATOM 1020 OG1 THR A 65 -12.027 12.922 11.767 1.00 0.00 O ATOM 1021 CG2 THR A 65 -14.141 12.112 11.209 1.00 0.00 C ATOM 0 H THR A 65 -10.836 11.538 10.589 1.00 0.00 H new ATOM 0 HA THR A 65 -13.079 12.273 8.754 1.00 0.00 H new ATOM 0 HB THR A 65 -13.421 14.037 10.562 1.00 0.00 H new ATOM 0 HG1 THR A 65 -12.396 13.233 12.620 1.00 0.00 H new ATOM 0 HG21 THR A 65 -14.605 12.520 12.107 1.00 0.00 H new ATOM 0 HG22 THR A 65 -14.889 12.027 10.421 1.00 0.00 H new ATOM 0 HG23 THR A 65 -13.731 11.126 11.428 1.00 0.00 H new ATOM 1029 N PRO A 66 -12.099 14.448 7.993 1.00 0.00 N ATOM 1030 CA PRO A 66 -11.392 15.501 7.285 1.00 0.00 C ATOM 1031 C PRO A 66 -11.014 16.641 8.234 1.00 0.00 C ATOM 1032 O PRO A 66 -11.833 17.513 8.519 1.00 0.00 O ATOM 1033 CB PRO A 66 -12.339 15.938 6.180 1.00 0.00 C ATOM 1034 CG PRO A 66 -13.716 15.443 6.592 1.00 0.00 C ATOM 1035 CD PRO A 66 -13.533 14.440 7.719 1.00 0.00 C ATOM 0 HA PRO A 66 -10.444 15.163 6.867 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -12.332 17.022 6.065 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -12.042 15.514 5.221 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -14.339 16.276 6.919 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -14.223 14.979 5.746 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -14.106 14.726 8.601 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -13.874 13.447 7.425 1.00 0.00 H new ATOM 1043 N THR A 67 -9.773 16.596 8.697 1.00 0.00 N ATOM 1044 CA THR A 67 -9.277 17.614 9.607 1.00 0.00 C ATOM 1045 C THR A 67 -9.002 18.916 8.853 1.00 0.00 C ATOM 1046 O THR A 67 -9.253 19.007 7.652 1.00 0.00 O ATOM 1047 CB THR A 67 -8.045 17.052 10.319 1.00 0.00 C ATOM 1048 OG1 THR A 67 -7.171 16.678 9.256 1.00 0.00 O ATOM 1049 CG2 THR A 67 -8.336 15.736 11.042 1.00 0.00 C ATOM 0 H THR A 67 -9.097 15.871 8.459 1.00 0.00 H new ATOM 0 HA THR A 67 -10.021 17.865 10.363 1.00 0.00 H new ATOM 0 HB THR A 67 -7.674 17.785 11.035 1.00 0.00 H new ATOM 0 HG1 THR A 67 -6.511 16.033 9.587 1.00 0.00 H new ATOM 0 HG21 THR A 67 -7.429 15.381 11.530 1.00 0.00 H new ATOM 0 HG22 THR A 67 -9.112 15.896 11.791 1.00 0.00 H new ATOM 0 HG23 THR A 67 -8.675 14.992 10.321 1.00 0.00 H new ATOM 1057 N ILE A 68 -8.489 19.892 9.588 1.00 0.00 N ATOM 1058 CA ILE A 68 -8.177 21.185 9.004 1.00 0.00 C ATOM 1059 C ILE A 68 -7.014 21.028 8.021 1.00 0.00 C ATOM 1060 O ILE A 68 -6.062 20.299 8.292 1.00 0.00 O ATOM 1061 CB ILE A 68 -7.920 22.221 10.100 1.00 0.00 C ATOM 1062 CG1 ILE A 68 -9.219 22.592 10.818 1.00 0.00 C ATOM 1063 CG2 ILE A 68 -7.205 23.450 9.536 1.00 0.00 C ATOM 1064 CD1 ILE A 68 -9.027 22.589 12.336 1.00 0.00 C ATOM 0 H ILE A 68 -8.282 19.813 10.584 1.00 0.00 H new ATOM 0 HA ILE A 68 -9.028 21.561 8.436 1.00 0.00 H new ATOM 0 HB ILE A 68 -7.257 21.776 10.842 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -9.550 23.578 10.492 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -10.004 21.886 10.546 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -7.034 24.171 10.336 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -6.249 23.150 9.108 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -7.822 23.906 8.762 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -9.965 22.856 12.822 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -8.719 21.595 12.662 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -8.259 23.314 12.607 1.00 0.00 H new ATOM 1076 N GLY A 69 -7.131 21.725 6.900 1.00 0.00 N ATOM 1077 CA GLY A 69 -6.102 21.673 5.876 1.00 0.00 C ATOM 1078 C GLY A 69 -6.534 20.782 4.710 1.00 0.00 C ATOM 1079 O GLY A 69 -6.277 21.103 3.550 1.00 0.00 O ATOM 0 H GLY A 69 -7.923 22.329 6.679 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -5.895 22.679 5.512 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -5.175 21.292 6.305 1.00 0.00 H new ATOM 1083 N ALA A 70 -7.183 19.681 5.057 1.00 0.00 N ATOM 1084 CA ALA A 70 -7.653 18.741 4.053 1.00 0.00 C ATOM 1085 C ALA A 70 -8.509 19.485 3.026 1.00 0.00 C ATOM 1086 O ALA A 70 -8.934 20.614 3.267 1.00 0.00 O ATOM 1087 CB ALA A 70 -8.418 17.605 4.735 1.00 0.00 C ATOM 0 H ALA A 70 -7.395 19.418 6.020 1.00 0.00 H new ATOM 0 HA ALA A 70 -6.812 18.295 3.522 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -8.770 16.900 3.982 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -7.758 17.090 5.433 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -9.271 18.014 5.276 1.00 0.00 H new ATOM 1093 N PRO A 71 -8.742 18.805 1.871 1.00 0.00 N ATOM 1094 CA PRO A 71 -9.539 19.390 0.806 1.00 0.00 C ATOM 1095 C PRO A 71 -11.027 19.367 1.160 1.00 0.00 C ATOM 1096 O PRO A 71 -11.561 18.329 1.547 1.00 0.00 O ATOM 1097 CB PRO A 71 -9.210 18.567 -0.429 1.00 0.00 C ATOM 1098 CG PRO A 71 -8.603 17.270 0.084 1.00 0.00 C ATOM 1099 CD PRO A 71 -8.254 17.467 1.550 1.00 0.00 C ATOM 0 HA PRO A 71 -9.311 20.443 0.639 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -10.106 18.373 -1.019 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -8.511 19.096 -1.076 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -9.307 16.446 -0.033 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -7.712 17.012 -0.489 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -8.730 16.711 2.175 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -7.180 17.387 1.715 1.00 0.00 H new ATOM 1107 N LYS A 72 -11.655 20.525 1.014 1.00 0.00 N ATOM 1108 CA LYS A 72 -13.071 20.652 1.313 1.00 0.00 C ATOM 1109 C LYS A 72 -13.886 20.079 0.152 1.00 0.00 C ATOM 1110 O LYS A 72 -14.714 20.776 -0.433 1.00 0.00 O ATOM 1111 CB LYS A 72 -13.419 22.102 1.653 1.00 0.00 C ATOM 1112 CG LYS A 72 -13.413 22.327 3.166 1.00 0.00 C ATOM 1113 CD LYS A 72 -14.708 23.003 3.625 1.00 0.00 C ATOM 1114 CE LYS A 72 -14.890 22.867 5.138 1.00 0.00 C ATOM 1115 NZ LYS A 72 -13.961 23.770 5.855 1.00 0.00 N ATOM 0 H LYS A 72 -11.209 21.384 0.692 1.00 0.00 H new ATOM 0 HA LYS A 72 -13.327 20.072 2.199 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -12.702 22.772 1.179 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -14.401 22.348 1.249 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -13.295 21.372 3.679 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -12.558 22.945 3.442 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -14.689 24.058 3.351 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -15.558 22.555 3.111 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -15.919 23.104 5.409 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -14.710 21.835 5.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -14.098 23.665 6.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -12.980 23.525 5.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -14.152 24.754 5.579 1.00 0.00 H new ATOM 1129 N THR A 73 -13.624 18.816 -0.147 1.00 0.00 N ATOM 1130 CA THR A 73 -14.323 18.142 -1.228 1.00 0.00 C ATOM 1131 C THR A 73 -14.613 16.688 -0.851 1.00 0.00 C ATOM 1132 O THR A 73 -15.771 16.299 -0.707 1.00 0.00 O ATOM 1133 CB THR A 73 -13.481 18.284 -2.497 1.00 0.00 C ATOM 1134 OG1 THR A 73 -12.139 18.131 -2.043 1.00 0.00 O ATOM 1135 CG2 THR A 73 -13.521 19.702 -3.071 1.00 0.00 C ATOM 0 H THR A 73 -12.937 18.241 0.340 1.00 0.00 H new ATOM 0 HA THR A 73 -15.296 18.597 -1.414 1.00 0.00 H new ATOM 0 HB THR A 73 -13.836 17.578 -3.248 1.00 0.00 H new ATOM 0 HG1 THR A 73 -11.526 18.208 -2.803 1.00 0.00 H new ATOM 0 HG21 THR A 73 -12.907 19.748 -3.971 1.00 0.00 H new ATOM 0 HG22 THR A 73 -14.549 19.965 -3.320 1.00 0.00 H new ATOM 0 HG23 THR A 73 -13.135 20.405 -2.332 1.00 0.00 H new ATOM 1143 N VAL A 74 -13.541 15.924 -0.702 1.00 0.00 N ATOM 1144 CA VAL A 74 -13.665 14.521 -0.344 1.00 0.00 C ATOM 1145 C VAL A 74 -14.652 14.381 0.817 1.00 0.00 C ATOM 1146 O VAL A 74 -14.916 15.346 1.531 1.00 0.00 O ATOM 1147 CB VAL A 74 -12.286 13.936 -0.031 1.00 0.00 C ATOM 1148 CG1 VAL A 74 -12.368 12.423 0.183 1.00 0.00 C ATOM 1149 CG2 VAL A 74 -11.282 14.280 -1.133 1.00 0.00 C ATOM 0 H VAL A 74 -12.582 16.250 -0.823 1.00 0.00 H new ATOM 0 HA VAL A 74 -14.064 13.947 -1.181 1.00 0.00 H new ATOM 0 HB VAL A 74 -11.933 14.387 0.897 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -11.375 12.032 0.404 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -13.036 12.209 1.018 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -12.752 11.948 -0.720 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -10.310 13.853 -0.886 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -11.628 13.870 -2.082 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -11.191 15.363 -1.217 1.00 0.00 H new ATOM 1159 N ASP A 75 -15.169 13.170 0.969 1.00 0.00 N ATOM 1160 CA ASP A 75 -16.121 12.891 2.031 1.00 0.00 C ATOM 1161 C ASP A 75 -15.395 12.213 3.195 1.00 0.00 C ATOM 1162 O ASP A 75 -14.570 11.326 2.984 1.00 0.00 O ATOM 1163 CB ASP A 75 -17.224 11.948 1.548 1.00 0.00 C ATOM 1164 CG ASP A 75 -18.643 12.349 1.958 1.00 0.00 C ATOM 1165 OD1 ASP A 75 -19.144 13.335 1.377 1.00 0.00 O ATOM 1166 OD2 ASP A 75 -19.193 11.660 2.844 1.00 0.00 O ATOM 0 H ASP A 75 -14.947 12.371 0.375 1.00 0.00 H new ATOM 0 HA ASP A 75 -16.566 13.836 2.342 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -17.179 11.888 0.461 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -17.020 10.948 1.931 1.00 0.00 H new ATOM 1171 N GLU A 76 -15.728 12.658 4.398 1.00 0.00 N ATOM 1172 CA GLU A 76 -15.119 12.105 5.595 1.00 0.00 C ATOM 1173 C GLU A 76 -14.962 10.589 5.460 1.00 0.00 C ATOM 1174 O GLU A 76 -14.031 10.006 6.013 1.00 0.00 O ATOM 1175 CB GLU A 76 -15.933 12.463 6.840 1.00 0.00 C ATOM 1176 CG GLU A 76 -17.390 12.022 6.688 1.00 0.00 C ATOM 1177 CD GLU A 76 -18.184 12.304 7.965 1.00 0.00 C ATOM 1178 OE1 GLU A 76 -18.584 13.475 8.138 1.00 0.00 O ATOM 1179 OE2 GLU A 76 -18.373 11.341 8.740 1.00 0.00 O ATOM 0 H GLU A 76 -16.412 13.395 4.569 1.00 0.00 H new ATOM 0 HA GLU A 76 -14.128 12.544 5.710 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -15.494 11.985 7.716 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -15.891 13.539 7.010 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -17.847 12.546 5.848 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -17.429 10.957 6.459 1.00 0.00 H new ATOM 1186 N LYS A 77 -15.887 9.994 4.721 1.00 0.00 N ATOM 1187 CA LYS A 77 -15.864 8.558 4.506 1.00 0.00 C ATOM 1188 C LYS A 77 -14.570 8.175 3.784 1.00 0.00 C ATOM 1189 O LYS A 77 -13.775 7.391 4.300 1.00 0.00 O ATOM 1190 CB LYS A 77 -17.131 8.104 3.779 1.00 0.00 C ATOM 1191 CG LYS A 77 -18.220 7.700 4.776 1.00 0.00 C ATOM 1192 CD LYS A 77 -19.029 6.512 4.252 1.00 0.00 C ATOM 1193 CE LYS A 77 -20.441 6.943 3.852 1.00 0.00 C ATOM 1194 NZ LYS A 77 -21.228 5.778 3.391 1.00 0.00 N ATOM 0 H LYS A 77 -16.658 10.481 4.264 1.00 0.00 H new ATOM 0 HA LYS A 77 -15.866 8.031 5.460 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -17.497 8.909 3.141 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -16.899 7.262 3.127 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -17.765 7.441 5.732 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -18.884 8.545 4.957 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -18.522 6.073 3.393 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -19.084 5.739 5.018 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -20.938 7.412 4.701 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -20.389 7.690 3.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -22.184 6.089 3.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -20.761 5.347 2.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -21.293 5.078 4.157 1.00 0.00 H new ATOM 1208 N ALA A 78 -14.399 8.748 2.601 1.00 0.00 N ATOM 1209 CA ALA A 78 -13.216 8.477 1.803 1.00 0.00 C ATOM 1210 C ALA A 78 -11.988 8.438 2.715 1.00 0.00 C ATOM 1211 O ALA A 78 -11.279 7.434 2.764 1.00 0.00 O ATOM 1212 CB ALA A 78 -13.091 9.531 0.702 1.00 0.00 C ATOM 0 H ALA A 78 -15.060 9.399 2.177 1.00 0.00 H new ATOM 0 HA ALA A 78 -13.296 7.505 1.317 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -12.203 9.328 0.103 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -13.974 9.498 0.064 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -13.006 10.520 1.153 1.00 0.00 H new ATOM 1218 N PHE A 79 -11.776 9.542 3.415 1.00 0.00 N ATOM 1219 CA PHE A 79 -10.646 9.647 4.323 1.00 0.00 C ATOM 1220 C PHE A 79 -10.455 8.350 5.112 1.00 0.00 C ATOM 1221 O PHE A 79 -11.407 7.821 5.684 1.00 0.00 O ATOM 1222 CB PHE A 79 -10.961 10.782 5.300 1.00 0.00 C ATOM 1223 CG PHE A 79 -10.789 12.181 4.704 1.00 0.00 C ATOM 1224 CD1 PHE A 79 -11.801 12.746 3.993 1.00 0.00 C ATOM 1225 CD2 PHE A 79 -9.624 12.859 4.886 1.00 0.00 C ATOM 1226 CE1 PHE A 79 -11.642 14.045 3.441 1.00 0.00 C ATOM 1227 CE2 PHE A 79 -9.465 14.157 4.333 1.00 0.00 C ATOM 1228 CZ PHE A 79 -10.477 14.723 3.622 1.00 0.00 C ATOM 0 H PHE A 79 -12.367 10.372 3.372 1.00 0.00 H new ATOM 0 HA PHE A 79 -9.732 9.837 3.760 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -11.987 10.671 5.651 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -10.314 10.687 6.172 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -12.726 12.207 3.848 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -8.820 12.410 5.451 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -12.446 14.494 2.877 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -8.540 14.695 4.477 1.00 0.00 H new ATOM 0 HZ PHE A 79 -10.355 15.710 3.201 1.00 0.00 H new ATOM 1238 N PHE A 80 -9.218 7.875 5.117 1.00 0.00 N ATOM 1239 CA PHE A 80 -8.889 6.650 5.826 1.00 0.00 C ATOM 1240 C PHE A 80 -7.455 6.691 6.356 1.00 0.00 C ATOM 1241 O PHE A 80 -6.528 7.030 5.623 1.00 0.00 O ATOM 1242 CB PHE A 80 -9.016 5.504 4.821 1.00 0.00 C ATOM 1243 CG PHE A 80 -7.918 5.486 3.756 1.00 0.00 C ATOM 1244 CD1 PHE A 80 -7.987 6.333 2.694 1.00 0.00 C ATOM 1245 CD2 PHE A 80 -6.874 4.622 3.870 1.00 0.00 C ATOM 1246 CE1 PHE A 80 -6.967 6.317 1.706 1.00 0.00 C ATOM 1247 CE2 PHE A 80 -5.855 4.606 2.882 1.00 0.00 C ATOM 1248 CZ PHE A 80 -5.923 5.453 1.820 1.00 0.00 C ATOM 0 H PHE A 80 -8.431 8.317 4.641 1.00 0.00 H new ATOM 0 HA PHE A 80 -9.558 6.522 6.677 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -9.000 4.557 5.361 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -9.985 5.573 4.328 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -8.817 7.018 2.602 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -6.820 3.948 4.712 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -7.020 6.991 0.864 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -5.025 3.921 2.974 1.00 0.00 H new ATOM 0 HZ PHE A 80 -5.148 5.439 1.068 1.00 0.00 H new ATOM 1258 N ASP A 81 -7.317 6.342 7.627 1.00 0.00 N ATOM 1259 CA ASP A 81 -6.011 6.334 8.264 1.00 0.00 C ATOM 1260 C ASP A 81 -5.418 4.926 8.186 1.00 0.00 C ATOM 1261 O ASP A 81 -6.126 3.939 8.383 1.00 0.00 O ATOM 1262 CB ASP A 81 -6.116 6.722 9.740 1.00 0.00 C ATOM 1263 CG ASP A 81 -5.394 8.015 10.122 1.00 0.00 C ATOM 1264 OD1 ASP A 81 -5.433 8.952 9.295 1.00 0.00 O ATOM 1265 OD2 ASP A 81 -4.819 8.038 11.231 1.00 0.00 O ATOM 0 H ASP A 81 -8.089 6.063 8.233 1.00 0.00 H new ATOM 0 HA ASP A 81 -5.379 7.055 7.746 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -7.170 6.822 10.000 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -5.715 5.908 10.343 1.00 0.00 H new ATOM 1270 N VAL A 82 -4.126 4.878 7.897 1.00 0.00 N ATOM 1271 CA VAL A 82 -3.430 3.606 7.791 1.00 0.00 C ATOM 1272 C VAL A 82 -2.570 3.395 9.038 1.00 0.00 C ATOM 1273 O VAL A 82 -1.611 4.131 9.268 1.00 0.00 O ATOM 1274 CB VAL A 82 -2.622 3.559 6.492 1.00 0.00 C ATOM 1275 CG1 VAL A 82 -1.583 2.437 6.534 1.00 0.00 C ATOM 1276 CG2 VAL A 82 -3.543 3.410 5.279 1.00 0.00 C ATOM 0 H VAL A 82 -3.543 5.699 7.733 1.00 0.00 H new ATOM 0 HA VAL A 82 -4.143 2.783 7.745 1.00 0.00 H new ATOM 0 HB VAL A 82 -2.089 4.505 6.393 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -1.022 2.425 5.599 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -0.899 2.606 7.365 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -2.087 1.480 6.667 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -2.944 3.379 4.369 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -4.115 2.487 5.368 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -4.227 4.258 5.235 1.00 0.00 H new ATOM 1286 N LYS A 83 -2.943 2.386 9.811 1.00 0.00 N ATOM 1287 CA LYS A 83 -2.217 2.068 11.029 1.00 0.00 C ATOM 1288 C LYS A 83 -1.070 1.111 10.700 1.00 0.00 C ATOM 1289 O LYS A 83 -1.297 0.021 10.177 1.00 0.00 O ATOM 1290 CB LYS A 83 -3.173 1.537 12.099 1.00 0.00 C ATOM 1291 CG LYS A 83 -4.111 2.640 12.594 1.00 0.00 C ATOM 1292 CD LYS A 83 -5.265 2.054 13.410 1.00 0.00 C ATOM 1293 CE LYS A 83 -5.977 3.144 14.213 1.00 0.00 C ATOM 1294 NZ LYS A 83 -6.309 2.655 15.570 1.00 0.00 N ATOM 0 H LYS A 83 -3.739 1.778 9.618 1.00 0.00 H new ATOM 0 HA LYS A 83 -1.770 2.968 11.451 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -3.758 0.713 11.692 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -2.601 1.138 12.937 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -3.553 3.350 13.205 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -4.507 3.194 11.743 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -5.976 1.566 12.743 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -4.885 1.288 14.086 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -5.341 4.026 14.284 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -6.888 3.448 13.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -6.792 3.407 16.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -6.934 1.827 15.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -5.435 2.387 16.066 1.00 0.00 H new ATOM 1308 N THR A 84 0.138 1.554 11.018 1.00 0.00 N ATOM 1309 CA THR A 84 1.321 0.750 10.763 1.00 0.00 C ATOM 1310 C THR A 84 2.155 0.608 12.037 1.00 0.00 C ATOM 1311 O THR A 84 1.695 0.949 13.126 1.00 0.00 O ATOM 1312 CB THR A 84 2.087 1.392 9.604 1.00 0.00 C ATOM 1313 OG1 THR A 84 1.915 2.792 9.808 1.00 0.00 O ATOM 1314 CG2 THR A 84 1.427 1.129 8.249 1.00 0.00 C ATOM 0 H THR A 84 0.323 2.459 11.450 1.00 0.00 H new ATOM 0 HA THR A 84 1.054 -0.266 10.473 1.00 0.00 H new ATOM 0 HB THR A 84 3.109 1.013 9.590 1.00 0.00 H new ATOM 0 HG1 THR A 84 2.429 3.074 10.593 1.00 0.00 H new ATOM 0 HG21 THR A 84 2.010 1.606 7.461 1.00 0.00 H new ATOM 0 HG22 THR A 84 1.383 0.055 8.068 1.00 0.00 H new ATOM 0 HG23 THR A 84 0.417 1.538 8.251 1.00 0.00 H new ATOM 1322 N THR A 85 3.367 0.102 11.860 1.00 0.00 N ATOM 1323 CA THR A 85 4.269 -0.090 12.983 1.00 0.00 C ATOM 1324 C THR A 85 5.095 1.175 13.225 1.00 0.00 C ATOM 1325 O THR A 85 5.302 1.576 14.370 1.00 0.00 O ATOM 1326 CB THR A 85 5.122 -1.327 12.697 1.00 0.00 C ATOM 1327 OG1 THR A 85 5.996 -0.912 11.650 1.00 0.00 O ATOM 1328 CG2 THR A 85 4.312 -2.467 12.077 1.00 0.00 C ATOM 0 H THR A 85 3.745 -0.181 10.956 1.00 0.00 H new ATOM 0 HA THR A 85 3.719 -0.263 13.908 1.00 0.00 H new ATOM 0 HB THR A 85 5.583 -1.672 13.623 1.00 0.00 H new ATOM 0 HG1 THR A 85 6.892 -1.277 11.808 1.00 0.00 H new ATOM 0 HG21 THR A 85 4.965 -3.320 11.894 1.00 0.00 H new ATOM 0 HG22 THR A 85 3.515 -2.760 12.760 1.00 0.00 H new ATOM 0 HG23 THR A 85 3.878 -2.134 11.134 1.00 0.00 H new ATOM 1336 N ARG A 86 5.545 1.769 12.130 1.00 0.00 N ATOM 1337 CA ARG A 86 6.343 2.980 12.209 1.00 0.00 C ATOM 1338 C ARG A 86 5.532 4.111 12.845 1.00 0.00 C ATOM 1339 O ARG A 86 5.860 4.579 13.934 1.00 0.00 O ATOM 1340 CB ARG A 86 6.817 3.420 10.822 1.00 0.00 C ATOM 1341 CG ARG A 86 8.250 2.953 10.558 1.00 0.00 C ATOM 1342 CD ARG A 86 8.956 3.882 9.568 1.00 0.00 C ATOM 1343 NE ARG A 86 10.422 3.785 9.741 1.00 0.00 N ATOM 1344 CZ ARG A 86 11.306 4.574 9.115 1.00 0.00 C ATOM 1345 NH1 ARG A 86 10.877 5.523 8.272 1.00 0.00 N ATOM 1346 NH2 ARG A 86 12.619 4.414 9.332 1.00 0.00 N ATOM 0 H ARG A 86 5.372 1.434 11.182 1.00 0.00 H new ATOM 0 HA ARG A 86 7.215 2.762 12.826 1.00 0.00 H new ATOM 0 HB2 ARG A 86 6.152 3.013 10.060 1.00 0.00 H new ATOM 0 HB3 ARG A 86 6.764 4.506 10.743 1.00 0.00 H new ATOM 0 HG2 ARG A 86 8.806 2.925 11.495 1.00 0.00 H new ATOM 0 HG3 ARG A 86 8.238 1.937 10.164 1.00 0.00 H new ATOM 0 HD2 ARG A 86 8.683 3.614 8.547 1.00 0.00 H new ATOM 0 HD3 ARG A 86 8.630 4.910 9.725 1.00 0.00 H new ATOM 0 HE ARG A 86 10.782 3.073 10.376 1.00 0.00 H new ATOM 0 HH11 ARG A 86 9.878 5.645 8.107 1.00 0.00 H new ATOM 0 HH12 ARG A 86 11.550 6.124 7.795 1.00 0.00 H new ATOM 0 HH21 ARG A 86 12.946 3.692 9.974 1.00 0.00 H new ATOM 0 HH22 ARG A 86 13.292 5.015 8.855 1.00 0.00 H new ATOM 1360 N ARG A 87 4.487 4.516 12.138 1.00 0.00 N ATOM 1361 CA ARG A 87 3.626 5.583 12.620 1.00 0.00 C ATOM 1362 C ARG A 87 2.303 5.585 11.852 1.00 0.00 C ATOM 1363 O ARG A 87 2.190 4.954 10.802 1.00 0.00 O ATOM 1364 CB ARG A 87 4.300 6.947 12.465 1.00 0.00 C ATOM 1365 CG ARG A 87 4.276 7.409 11.007 1.00 0.00 C ATOM 1366 CD ARG A 87 5.266 8.552 10.776 1.00 0.00 C ATOM 1367 NE ARG A 87 6.646 8.086 11.035 1.00 0.00 N ATOM 1368 CZ ARG A 87 7.260 8.178 12.223 1.00 0.00 C ATOM 1369 NH1 ARG A 87 6.620 8.720 13.268 1.00 0.00 N ATOM 1370 NH2 ARG A 87 8.515 7.729 12.365 1.00 0.00 N ATOM 0 H ARG A 87 4.217 4.125 11.236 1.00 0.00 H new ATOM 0 HA ARG A 87 3.436 5.403 13.678 1.00 0.00 H new ATOM 0 HB2 ARG A 87 3.792 7.681 13.091 1.00 0.00 H new ATOM 0 HB3 ARG A 87 5.331 6.889 12.815 1.00 0.00 H new ATOM 0 HG2 ARG A 87 4.522 6.573 10.353 1.00 0.00 H new ATOM 0 HG3 ARG A 87 3.270 7.735 10.742 1.00 0.00 H new ATOM 0 HD2 ARG A 87 5.182 8.915 9.752 1.00 0.00 H new ATOM 0 HD3 ARG A 87 5.027 9.389 11.432 1.00 0.00 H new ATOM 0 HE ARG A 87 7.163 7.668 10.261 1.00 0.00 H new ATOM 0 HH11 ARG A 87 5.665 9.063 13.160 1.00 0.00 H new ATOM 0 HH12 ARG A 87 7.087 8.790 14.172 1.00 0.00 H new ATOM 0 HH21 ARG A 87 9.003 7.317 11.569 1.00 0.00 H new ATOM 0 HH22 ARG A 87 8.982 7.799 13.269 1.00 0.00 H new ATOM 1384 N VAL A 88 1.336 6.302 12.404 1.00 0.00 N ATOM 1385 CA VAL A 88 0.025 6.394 11.784 1.00 0.00 C ATOM 1386 C VAL A 88 0.083 7.391 10.625 1.00 0.00 C ATOM 1387 O VAL A 88 0.744 8.425 10.723 1.00 0.00 O ATOM 1388 CB VAL A 88 -1.026 6.760 12.834 1.00 0.00 C ATOM 1389 CG1 VAL A 88 -2.222 7.464 12.190 1.00 0.00 C ATOM 1390 CG2 VAL A 88 -1.474 5.523 13.615 1.00 0.00 C ATOM 0 H VAL A 88 1.434 6.825 13.274 1.00 0.00 H new ATOM 0 HA VAL A 88 -0.270 5.430 11.370 1.00 0.00 H new ATOM 0 HB VAL A 88 -0.568 7.454 13.539 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -2.954 7.713 12.958 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -1.886 8.377 11.699 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -2.679 6.804 11.453 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -2.221 5.811 14.355 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -1.905 4.795 12.928 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -0.615 5.081 14.120 1.00 0.00 H new ATOM 1400 N TYR A 89 -0.616 7.046 9.554 1.00 0.00 N ATOM 1401 CA TYR A 89 -0.652 7.898 8.377 1.00 0.00 C ATOM 1402 C TYR A 89 -2.076 8.379 8.092 1.00 0.00 C ATOM 1403 O TYR A 89 -3.039 7.827 8.621 1.00 0.00 O ATOM 1404 CB TYR A 89 -0.178 7.027 7.212 1.00 0.00 C ATOM 1405 CG TYR A 89 1.224 6.443 7.402 1.00 0.00 C ATOM 1406 CD1 TYR A 89 2.248 7.243 7.866 1.00 0.00 C ATOM 1407 CD2 TYR A 89 1.463 5.115 7.109 1.00 0.00 C ATOM 1408 CE1 TYR A 89 3.566 6.692 8.045 1.00 0.00 C ATOM 1409 CE2 TYR A 89 2.782 4.565 7.288 1.00 0.00 C ATOM 1410 CZ TYR A 89 3.768 5.381 7.747 1.00 0.00 C ATOM 1411 OH TYR A 89 5.014 4.861 7.916 1.00 0.00 O ATOM 0 H TYR A 89 -1.162 6.188 9.476 1.00 0.00 H new ATOM 0 HA TYR A 89 -0.027 8.779 8.522 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -0.885 6.209 7.072 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -0.192 7.621 6.298 1.00 0.00 H new ATOM 0 HD1 TYR A 89 2.061 8.282 8.095 1.00 0.00 H new ATOM 0 HD2 TYR A 89 0.661 4.489 6.746 1.00 0.00 H new ATOM 0 HE1 TYR A 89 4.376 7.307 8.408 1.00 0.00 H new ATOM 0 HE2 TYR A 89 2.983 3.528 7.063 1.00 0.00 H new ATOM 0 HH TYR A 89 5.010 3.914 7.665 1.00 0.00 H new ATOM 1421 N ASN A 90 -2.164 9.403 7.256 1.00 0.00 N ATOM 1422 CA ASN A 90 -3.454 9.965 6.894 1.00 0.00 C ATOM 1423 C ASN A 90 -3.526 10.128 5.374 1.00 0.00 C ATOM 1424 O ASN A 90 -2.907 11.031 4.813 1.00 0.00 O ATOM 1425 CB ASN A 90 -3.652 11.344 7.527 1.00 0.00 C ATOM 1426 CG ASN A 90 -4.158 11.219 8.966 1.00 0.00 C ATOM 1427 OD1 ASN A 90 -5.293 11.537 9.281 1.00 0.00 O ATOM 1428 ND2 ASN A 90 -3.256 10.739 9.817 1.00 0.00 N ATOM 0 H ASN A 90 -1.363 9.858 6.819 1.00 0.00 H new ATOM 0 HA ASN A 90 -4.229 9.288 7.254 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -2.710 11.892 7.515 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -4.364 11.921 6.936 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -3.497 10.617 10.801 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -2.323 10.492 9.486 1.00 0.00 H new ATOM 1435 N PHE A 91 -4.287 9.241 4.751 1.00 0.00 N ATOM 1436 CA PHE A 91 -4.449 9.275 3.308 1.00 0.00 C ATOM 1437 C PHE A 91 -5.901 9.568 2.925 1.00 0.00 C ATOM 1438 O PHE A 91 -6.798 9.470 3.760 1.00 0.00 O ATOM 1439 CB PHE A 91 -4.064 7.890 2.782 1.00 0.00 C ATOM 1440 CG PHE A 91 -2.575 7.565 2.917 1.00 0.00 C ATOM 1441 CD1 PHE A 91 -1.645 8.531 2.694 1.00 0.00 C ATOM 1442 CD2 PHE A 91 -2.183 6.309 3.262 1.00 0.00 C ATOM 1443 CE1 PHE A 91 -0.263 8.228 2.819 1.00 0.00 C ATOM 1444 CE2 PHE A 91 -0.801 6.006 3.388 1.00 0.00 C ATOM 1445 CZ PHE A 91 0.130 6.972 3.164 1.00 0.00 C ATOM 0 H PHE A 91 -4.799 8.494 5.220 1.00 0.00 H new ATOM 0 HA PHE A 91 -3.824 10.060 2.882 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -4.640 7.136 3.318 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -4.347 7.820 1.732 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -1.957 9.529 2.422 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -2.922 5.542 3.440 1.00 0.00 H new ATOM 0 HE1 PHE A 91 0.476 8.995 2.640 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -0.489 5.009 3.662 1.00 0.00 H new ATOM 0 HZ PHE A 91 1.181 6.742 3.260 1.00 0.00 H new ATOM 1455 N CYS A 92 -6.086 9.921 1.661 1.00 0.00 N ATOM 1456 CA CYS A 92 -7.414 10.229 1.158 1.00 0.00 C ATOM 1457 C CYS A 92 -7.455 9.881 -0.332 1.00 0.00 C ATOM 1458 O CYS A 92 -6.413 9.771 -0.976 1.00 0.00 O ATOM 1459 CB CYS A 92 -7.792 11.689 1.414 1.00 0.00 C ATOM 1460 SG CYS A 92 -9.513 11.792 2.027 1.00 0.00 S ATOM 0 H CYS A 92 -5.339 10.000 0.971 1.00 0.00 H new ATOM 0 HA CYS A 92 -8.155 9.633 1.690 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -7.111 12.127 2.143 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -7.689 12.266 0.495 1.00 0.00 H new ATOM 0 HG CYS A 92 -9.551 12.540 3.090 1.00 0.00 H new ATOM 1466 N ALA A 93 -8.670 9.719 -0.835 1.00 0.00 N ATOM 1467 CA ALA A 93 -8.860 9.386 -2.237 1.00 0.00 C ATOM 1468 C ALA A 93 -9.569 10.545 -2.940 1.00 0.00 C ATOM 1469 O ALA A 93 -9.843 11.575 -2.325 1.00 0.00 O ATOM 1470 CB ALA A 93 -9.638 8.073 -2.349 1.00 0.00 C ATOM 0 H ALA A 93 -9.532 9.812 -0.298 1.00 0.00 H new ATOM 0 HA ALA A 93 -7.899 9.239 -2.730 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -9.781 7.823 -3.400 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -9.079 7.276 -1.859 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -10.610 8.184 -1.867 1.00 0.00 H new ATOM 1476 N GLN A 94 -9.845 10.339 -4.219 1.00 0.00 N ATOM 1477 CA GLN A 94 -10.517 11.355 -5.013 1.00 0.00 C ATOM 1478 C GLN A 94 -11.999 11.010 -5.172 1.00 0.00 C ATOM 1479 O GLN A 94 -12.649 11.469 -6.110 1.00 0.00 O ATOM 1480 CB GLN A 94 -9.843 11.520 -6.376 1.00 0.00 C ATOM 1481 CG GLN A 94 -8.903 12.727 -6.381 1.00 0.00 C ATOM 1482 CD GLN A 94 -9.297 13.725 -7.472 1.00 0.00 C ATOM 1483 OE1 GLN A 94 -8.811 13.686 -8.590 1.00 0.00 O ATOM 1484 NE2 GLN A 94 -10.204 14.618 -7.086 1.00 0.00 N ATOM 0 H GLN A 94 -9.616 9.484 -4.726 1.00 0.00 H new ATOM 0 HA GLN A 94 -10.440 12.308 -4.489 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -9.283 10.617 -6.620 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -10.602 11.643 -7.148 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -8.930 13.217 -5.408 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -7.878 12.393 -6.542 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -10.570 14.594 -6.134 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -10.534 15.326 -7.742 1.00 0.00 H new ATOM 1493 N ASP A 95 -12.489 10.205 -4.242 1.00 0.00 N ATOM 1494 CA ASP A 95 -13.883 9.793 -4.267 1.00 0.00 C ATOM 1495 C ASP A 95 -14.185 8.953 -3.024 1.00 0.00 C ATOM 1496 O ASP A 95 -13.270 8.455 -2.370 1.00 0.00 O ATOM 1497 CB ASP A 95 -14.182 8.938 -5.500 1.00 0.00 C ATOM 1498 CG ASP A 95 -15.477 9.293 -6.234 1.00 0.00 C ATOM 1499 OD1 ASP A 95 -15.914 10.454 -6.084 1.00 0.00 O ATOM 1500 OD2 ASP A 95 -15.999 8.396 -6.930 1.00 0.00 O ATOM 0 H ASP A 95 -11.946 9.826 -3.466 1.00 0.00 H new ATOM 0 HA ASP A 95 -14.500 10.691 -4.293 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -13.350 9.030 -6.198 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -14.229 7.892 -5.196 1.00 0.00 H new ATOM 1505 N VAL A 96 -15.471 8.821 -2.737 1.00 0.00 N ATOM 1506 CA VAL A 96 -15.905 8.050 -1.584 1.00 0.00 C ATOM 1507 C VAL A 96 -15.754 6.558 -1.888 1.00 0.00 C ATOM 1508 O VAL A 96 -15.242 5.802 -1.064 1.00 0.00 O ATOM 1509 CB VAL A 96 -17.334 8.440 -1.201 1.00 0.00 C ATOM 1510 CG1 VAL A 96 -18.114 7.228 -0.688 1.00 0.00 C ATOM 1511 CG2 VAL A 96 -17.336 9.570 -0.170 1.00 0.00 C ATOM 0 H VAL A 96 -16.227 9.235 -3.283 1.00 0.00 H new ATOM 0 HA VAL A 96 -15.279 8.271 -0.719 1.00 0.00 H new ATOM 0 HB VAL A 96 -17.834 8.805 -2.098 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -19.126 7.533 -0.423 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -18.156 6.466 -1.467 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -17.616 6.820 0.191 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -18.364 9.828 0.085 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -16.810 9.244 0.728 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -16.835 10.444 -0.587 1.00 0.00 H new ATOM 1521 N PRO A 97 -16.221 6.169 -3.105 1.00 0.00 N ATOM 1522 CA PRO A 97 -16.142 4.781 -3.528 1.00 0.00 C ATOM 1523 C PRO A 97 -14.711 4.407 -3.919 1.00 0.00 C ATOM 1524 O PRO A 97 -14.375 3.227 -4.001 1.00 0.00 O ATOM 1525 CB PRO A 97 -17.123 4.666 -4.683 1.00 0.00 C ATOM 1526 CG PRO A 97 -17.368 6.087 -5.166 1.00 0.00 C ATOM 1527 CD PRO A 97 -16.833 7.037 -4.106 1.00 0.00 C ATOM 0 HA PRO A 97 -16.401 4.083 -2.732 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -16.715 4.047 -5.482 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -18.053 4.198 -4.360 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -16.868 6.258 -6.119 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -18.432 6.257 -5.329 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -16.105 7.730 -4.527 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -17.633 7.638 -3.673 1.00 0.00 H new ATOM 1535 N SER A 98 -13.907 5.434 -4.150 1.00 0.00 N ATOM 1536 CA SER A 98 -12.520 5.228 -4.531 1.00 0.00 C ATOM 1537 C SER A 98 -11.685 4.881 -3.297 1.00 0.00 C ATOM 1538 O SER A 98 -10.837 3.991 -3.347 1.00 0.00 O ATOM 1539 CB SER A 98 -11.950 6.466 -5.226 1.00 0.00 C ATOM 1540 OG SER A 98 -12.515 6.659 -6.520 1.00 0.00 O ATOM 0 H SER A 98 -14.189 6.412 -4.081 1.00 0.00 H new ATOM 0 HA SER A 98 -12.479 4.398 -5.236 1.00 0.00 H new ATOM 0 HB2 SER A 98 -12.140 7.346 -4.612 1.00 0.00 H new ATOM 0 HB3 SER A 98 -10.868 6.367 -5.314 1.00 0.00 H new ATOM 0 HG SER A 98 -12.018 7.359 -6.993 1.00 0.00 H new ATOM 1546 N ALA A 99 -11.954 5.602 -2.218 1.00 0.00 N ATOM 1547 CA ALA A 99 -11.238 5.381 -0.973 1.00 0.00 C ATOM 1548 C ALA A 99 -11.548 3.975 -0.454 1.00 0.00 C ATOM 1549 O ALA A 99 -10.636 3.209 -0.144 1.00 0.00 O ATOM 1550 CB ALA A 99 -11.615 6.470 0.033 1.00 0.00 C ATOM 0 H ALA A 99 -12.658 6.339 -2.180 1.00 0.00 H new ATOM 0 HA ALA A 99 -10.162 5.444 -1.133 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -11.078 6.304 0.967 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -11.348 7.447 -0.371 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -12.688 6.436 0.221 1.00 0.00 H new ATOM 1556 N GLN A 100 -12.837 3.679 -0.375 1.00 0.00 N ATOM 1557 CA GLN A 100 -13.278 2.379 0.102 1.00 0.00 C ATOM 1558 C GLN A 100 -12.474 1.266 -0.574 1.00 0.00 C ATOM 1559 O GLN A 100 -12.030 0.328 0.086 1.00 0.00 O ATOM 1560 CB GLN A 100 -14.778 2.191 -0.130 1.00 0.00 C ATOM 1561 CG GLN A 100 -15.588 3.225 0.654 1.00 0.00 C ATOM 1562 CD GLN A 100 -15.796 2.777 2.102 1.00 0.00 C ATOM 1563 OE1 GLN A 100 -15.223 1.805 2.566 1.00 0.00 O ATOM 1564 NE2 GLN A 100 -16.646 3.537 2.787 1.00 0.00 N ATOM 0 H GLN A 100 -13.590 4.317 -0.633 1.00 0.00 H new ATOM 0 HA GLN A 100 -13.101 2.327 1.176 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -14.999 2.281 -1.194 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -15.073 1.187 0.173 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -15.072 4.185 0.637 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -16.555 3.375 0.174 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -17.091 4.337 2.337 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -16.852 3.320 3.762 1.00 0.00 H new ATOM 1573 N GLN A 101 -12.313 1.406 -1.881 1.00 0.00 N ATOM 1574 CA GLN A 101 -11.571 0.424 -2.654 1.00 0.00 C ATOM 1575 C GLN A 101 -10.129 0.332 -2.150 1.00 0.00 C ATOM 1576 O GLN A 101 -9.560 -0.756 -2.083 1.00 0.00 O ATOM 1577 CB GLN A 101 -11.611 0.756 -4.146 1.00 0.00 C ATOM 1578 CG GLN A 101 -12.974 0.411 -4.749 1.00 0.00 C ATOM 1579 CD GLN A 101 -12.849 0.091 -6.240 1.00 0.00 C ATOM 1580 OE1 GLN A 101 -12.001 0.614 -6.945 1.00 0.00 O ATOM 1581 NE2 GLN A 101 -13.739 -0.794 -6.680 1.00 0.00 N ATOM 0 H GLN A 101 -12.684 2.185 -2.425 1.00 0.00 H new ATOM 0 HA GLN A 101 -12.045 -0.549 -2.520 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -11.403 1.816 -4.292 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -10.829 0.203 -4.666 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -13.402 -0.444 -4.225 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -13.660 1.247 -4.609 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -14.422 -1.194 -6.036 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -13.739 -1.073 -7.661 1.00 0.00 H new ATOM 1590 N TRP A 102 -9.580 1.489 -1.810 1.00 0.00 N ATOM 1591 CA TRP A 102 -8.215 1.553 -1.315 1.00 0.00 C ATOM 1592 C TRP A 102 -8.161 0.804 0.017 1.00 0.00 C ATOM 1593 O TRP A 102 -7.412 -0.162 0.161 1.00 0.00 O ATOM 1594 CB TRP A 102 -7.739 3.003 -1.207 1.00 0.00 C ATOM 1595 CG TRP A 102 -7.153 3.564 -2.504 1.00 0.00 C ATOM 1596 CD1 TRP A 102 -7.744 4.375 -3.392 1.00 0.00 C ATOM 1597 CD2 TRP A 102 -5.829 3.322 -3.025 1.00 0.00 C ATOM 1598 NE1 TRP A 102 -6.901 4.672 -4.444 1.00 0.00 N ATOM 1599 CE2 TRP A 102 -5.700 4.012 -4.213 1.00 0.00 C ATOM 1600 CE3 TRP A 102 -4.776 2.547 -2.509 1.00 0.00 C ATOM 1601 CZ2 TRP A 102 -4.532 3.995 -4.986 1.00 0.00 C ATOM 1602 CZ3 TRP A 102 -3.616 2.540 -3.293 1.00 0.00 C ATOM 1603 CH2 TRP A 102 -3.470 3.229 -4.491 1.00 0.00 C ATOM 0 H TRP A 102 -10.056 2.390 -1.867 1.00 0.00 H new ATOM 0 HA TRP A 102 -7.528 1.073 -2.012 1.00 0.00 H new ATOM 0 HB2 TRP A 102 -8.577 3.628 -0.899 1.00 0.00 H new ATOM 0 HB3 TRP A 102 -6.986 3.070 -0.422 1.00 0.00 H new ATOM 0 HD1 TRP A 102 -8.753 4.749 -3.297 1.00 0.00 H new ATOM 0 HE1 TRP A 102 -7.119 5.266 -5.244 1.00 0.00 H new ATOM 0 HE3 TRP A 102 -4.855 2.000 -1.581 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 -4.455 4.543 -5.913 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 -2.776 1.959 -2.942 1.00 0.00 H new ATOM 0 HH2 TRP A 102 -2.541 3.174 -5.038 1.00 0.00 H new ATOM 1614 N VAL A 103 -8.964 1.277 0.959 1.00 0.00 N ATOM 1615 CA VAL A 103 -9.016 0.664 2.275 1.00 0.00 C ATOM 1616 C VAL A 103 -9.266 -0.838 2.124 1.00 0.00 C ATOM 1617 O VAL A 103 -8.574 -1.651 2.735 1.00 0.00 O ATOM 1618 CB VAL A 103 -10.070 1.362 3.136 1.00 0.00 C ATOM 1619 CG1 VAL A 103 -10.158 0.721 4.523 1.00 0.00 C ATOM 1620 CG2 VAL A 103 -9.786 2.862 3.242 1.00 0.00 C ATOM 0 H VAL A 103 -9.584 2.078 0.837 1.00 0.00 H new ATOM 0 HA VAL A 103 -8.063 0.785 2.790 1.00 0.00 H new ATOM 0 HB VAL A 103 -11.037 1.238 2.648 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -10.915 1.236 5.115 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -10.430 -0.330 4.422 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -9.192 0.799 5.022 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -10.550 3.334 3.859 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -8.807 3.016 3.696 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -9.798 3.306 2.247 1.00 0.00 H new ATOM 1630 N ASP A 104 -10.258 -1.161 1.307 1.00 0.00 N ATOM 1631 CA ASP A 104 -10.608 -2.551 1.068 1.00 0.00 C ATOM 1632 C ASP A 104 -9.362 -3.317 0.621 1.00 0.00 C ATOM 1633 O ASP A 104 -8.975 -4.301 1.248 1.00 0.00 O ATOM 1634 CB ASP A 104 -11.660 -2.671 -0.036 1.00 0.00 C ATOM 1635 CG ASP A 104 -12.196 -4.086 -0.266 1.00 0.00 C ATOM 1636 OD1 ASP A 104 -12.805 -4.623 0.684 1.00 0.00 O ATOM 1637 OD2 ASP A 104 -11.986 -4.597 -1.387 1.00 0.00 O ATOM 0 H ASP A 104 -10.830 -0.484 0.802 1.00 0.00 H new ATOM 0 HA ASP A 104 -11.009 -2.962 1.994 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -12.497 -2.017 0.207 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -11.230 -2.305 -0.968 1.00 0.00 H new ATOM 1642 N ARG A 105 -8.767 -2.835 -0.461 1.00 0.00 N ATOM 1643 CA ARG A 105 -7.573 -3.462 -1.000 1.00 0.00 C ATOM 1644 C ARG A 105 -6.490 -3.555 0.077 1.00 0.00 C ATOM 1645 O ARG A 105 -5.871 -4.604 0.252 1.00 0.00 O ATOM 1646 CB ARG A 105 -7.029 -2.676 -2.194 1.00 0.00 C ATOM 1647 CG ARG A 105 -7.210 -3.460 -3.496 1.00 0.00 C ATOM 1648 CD ARG A 105 -6.444 -2.800 -4.645 1.00 0.00 C ATOM 1649 NE ARG A 105 -6.323 -3.742 -5.780 1.00 0.00 N ATOM 1650 CZ ARG A 105 -5.539 -4.828 -5.774 1.00 0.00 C ATOM 1651 NH1 ARG A 105 -4.801 -5.116 -4.693 1.00 0.00 N ATOM 1652 NH2 ARG A 105 -5.492 -5.627 -6.849 1.00 0.00 N ATOM 0 H ARG A 105 -9.090 -2.018 -0.978 1.00 0.00 H new ATOM 0 HA ARG A 105 -7.846 -4.463 -1.333 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -7.543 -1.718 -2.268 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -5.972 -2.459 -2.040 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -6.859 -4.483 -3.360 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -8.269 -3.517 -3.746 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -6.961 -1.896 -4.966 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -5.453 -2.497 -4.306 1.00 0.00 H new ATOM 0 HE ARG A 105 -6.871 -3.552 -6.619 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -4.836 -4.508 -3.875 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -4.204 -5.943 -4.689 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -6.053 -5.408 -7.672 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -4.895 -6.454 -6.844 1.00 0.00 H new ATOM 1666 N ILE A 106 -6.294 -2.443 0.770 1.00 0.00 N ATOM 1667 CA ILE A 106 -5.296 -2.386 1.825 1.00 0.00 C ATOM 1668 C ILE A 106 -5.665 -3.383 2.925 1.00 0.00 C ATOM 1669 O ILE A 106 -4.842 -4.206 3.324 1.00 0.00 O ATOM 1670 CB ILE A 106 -5.130 -0.950 2.328 1.00 0.00 C ATOM 1671 CG1 ILE A 106 -4.555 -0.049 1.233 1.00 0.00 C ATOM 1672 CG2 ILE A 106 -4.287 -0.910 3.604 1.00 0.00 C ATOM 1673 CD1 ILE A 106 -5.103 1.375 1.351 1.00 0.00 C ATOM 0 H ILE A 106 -6.809 -1.575 0.622 1.00 0.00 H new ATOM 0 HA ILE A 106 -4.319 -2.681 1.441 1.00 0.00 H new ATOM 0 HB ILE A 106 -6.116 -0.561 2.581 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -3.468 -0.031 1.305 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -4.803 -0.458 0.253 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -4.184 0.122 3.940 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -4.775 -1.498 4.381 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -3.300 -1.325 3.401 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -4.679 1.995 0.561 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -6.189 1.356 1.254 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -4.833 1.790 2.322 1.00 0.00 H new ATOM 1685 N GLN A 107 -6.903 -3.278 3.384 1.00 0.00 N ATOM 1686 CA GLN A 107 -7.392 -4.160 4.430 1.00 0.00 C ATOM 1687 C GLN A 107 -7.287 -5.620 3.985 1.00 0.00 C ATOM 1688 O GLN A 107 -7.299 -6.529 4.814 1.00 0.00 O ATOM 1689 CB GLN A 107 -8.829 -3.808 4.819 1.00 0.00 C ATOM 1690 CG GLN A 107 -8.867 -3.042 6.143 1.00 0.00 C ATOM 1691 CD GLN A 107 -9.190 -3.979 7.309 1.00 0.00 C ATOM 1692 OE1 GLN A 107 -9.294 -5.186 7.159 1.00 0.00 O ATOM 1693 NE2 GLN A 107 -9.342 -3.359 8.475 1.00 0.00 N ATOM 0 H GLN A 107 -7.583 -2.595 3.050 1.00 0.00 H new ATOM 0 HA GLN A 107 -6.768 -4.023 5.313 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -9.285 -3.206 4.033 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -9.420 -4.720 4.905 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -7.905 -2.559 6.316 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -9.616 -2.252 6.089 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -9.241 -2.346 8.531 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -9.559 -3.897 9.314 1.00 0.00 H new ATOM 1702 N SER A 108 -7.186 -5.800 2.676 1.00 0.00 N ATOM 1703 CA SER A 108 -7.079 -7.134 2.110 1.00 0.00 C ATOM 1704 C SER A 108 -5.609 -7.481 1.861 1.00 0.00 C ATOM 1705 O SER A 108 -5.289 -8.605 1.478 1.00 0.00 O ATOM 1706 CB SER A 108 -7.878 -7.247 0.811 1.00 0.00 C ATOM 1707 OG SER A 108 -8.905 -8.231 0.900 1.00 0.00 O ATOM 0 H SER A 108 -7.176 -5.044 1.991 1.00 0.00 H new ATOM 0 HA SER A 108 -7.497 -7.843 2.825 1.00 0.00 H new ATOM 0 HB2 SER A 108 -8.322 -6.280 0.573 1.00 0.00 H new ATOM 0 HB3 SER A 108 -7.205 -7.499 -0.008 1.00 0.00 H new ATOM 0 HG SER A 108 -9.394 -8.272 0.051 1.00 0.00 H new ATOM 1713 N CYS A 109 -4.755 -6.494 2.088 1.00 0.00 N ATOM 1714 CA CYS A 109 -3.327 -6.680 1.893 1.00 0.00 C ATOM 1715 C CYS A 109 -2.633 -6.523 3.247 1.00 0.00 C ATOM 1716 O CYS A 109 -1.434 -6.251 3.306 1.00 0.00 O ATOM 1717 CB CYS A 109 -2.768 -5.712 0.849 1.00 0.00 C ATOM 1718 SG CYS A 109 -2.260 -4.148 1.653 1.00 0.00 S ATOM 0 H CYS A 109 -5.024 -5.563 2.405 1.00 0.00 H new ATOM 0 HA CYS A 109 -3.138 -7.680 1.503 1.00 0.00 H new ATOM 0 HB2 CYS A 109 -1.915 -6.164 0.342 1.00 0.00 H new ATOM 0 HB3 CYS A 109 -3.521 -5.511 0.087 1.00 0.00 H new ATOM 0 HG CYS A 109 -3.100 -3.855 2.601 1.00 0.00 H new