USER MOD reduce.3.24.130724 H: found=0, std=0, add=687, rem=0, adj=16 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 Set 1.1: A 17 LYS NZ :NH3+ -166:sc= 0.175 (180deg=0) USER MOD Set 1.2: A 90 ASN : amide:sc= 0.704 K(o=0.88,f=-0.14) USER MOD Set 2.1: A 10 TYR OH : rot 67:sc= 0.119 USER MOD Set 2.2: A 101 GLN : amide:sc= 0.0992 X(o=0.22,f=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 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot -53:sc= 0.652 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 HIS : no HD1:sc= -4.77! C(o=-4.8!,f=-2.6!) USER MOD Single : A 37 GLN : amide:sc= -0.411 K(o=-0.41,f=-2.7) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 TYR OH : rot 180:sc= -0.0551 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.0132 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= -0.564 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 -165:sc= -0.258! USER MOD Single : A 85 THR OG1 : rot 180:sc= -0.0265 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 CYS SG : rot -99:sc= -1.29 USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 100 GLN : amide:sc=-0.000819 K(o=-0.00082,f=-1.4) USER MOD Single : A 107 GLN : amide:sc= -0.145 K(o=-0.15,f=-1.6!) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 109 CYS SG : rot 150:sc= -0.432 USER MOD ----------------------------------------------------------------- ATOM 101 N TYR A 10 -2.951 -1.937 -8.288 1.00 0.00 N ATOM 102 CA TYR A 10 -3.910 -0.854 -8.417 1.00 0.00 C ATOM 103 C TYR A 10 -3.223 0.506 -8.282 1.00 0.00 C ATOM 104 O TYR A 10 -2.194 0.622 -7.618 1.00 0.00 O ATOM 105 CB TYR A 10 -4.901 -1.028 -7.265 1.00 0.00 C ATOM 106 CG TYR A 10 -6.152 -0.155 -7.383 1.00 0.00 C ATOM 107 CD1 TYR A 10 -7.049 -0.369 -8.410 1.00 0.00 C ATOM 108 CD2 TYR A 10 -6.384 0.846 -6.462 1.00 0.00 C ATOM 109 CE1 TYR A 10 -8.226 0.453 -8.520 1.00 0.00 C ATOM 110 CE2 TYR A 10 -7.561 1.668 -6.572 1.00 0.00 C ATOM 111 CZ TYR A 10 -8.424 1.431 -7.596 1.00 0.00 C ATOM 112 OH TYR A 10 -9.536 2.207 -7.701 1.00 0.00 O ATOM 0 HA TYR A 10 -4.394 -0.885 -9.393 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -5.204 -2.074 -7.215 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -4.396 -0.797 -6.327 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -6.868 -1.153 -9.131 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -5.682 1.013 -5.658 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -8.936 0.296 -9.319 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -7.754 2.455 -5.858 1.00 0.00 H new ATOM 0 HH TYR A 10 -10.333 1.662 -7.531 1.00 0.00 H new ATOM 122 N GLU A 11 -3.820 1.501 -8.921 1.00 0.00 N ATOM 123 CA GLU A 11 -3.278 2.849 -8.880 1.00 0.00 C ATOM 124 C GLU A 11 -4.410 3.874 -8.786 1.00 0.00 C ATOM 125 O GLU A 11 -5.532 3.606 -9.214 1.00 0.00 O ATOM 126 CB GLU A 11 -2.392 3.121 -10.098 1.00 0.00 C ATOM 127 CG GLU A 11 -3.148 2.841 -11.399 1.00 0.00 C ATOM 128 CD GLU A 11 -3.002 1.376 -11.813 1.00 0.00 C ATOM 129 OE1 GLU A 11 -2.621 0.573 -10.933 1.00 0.00 O ATOM 130 OE2 GLU A 11 -3.275 1.091 -12.999 1.00 0.00 O ATOM 0 H GLU A 11 -4.674 1.401 -9.470 1.00 0.00 H new ATOM 0 HA GLU A 11 -2.655 2.942 -7.990 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -2.057 4.158 -10.084 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -1.500 2.497 -10.050 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -4.203 3.083 -11.270 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -2.768 3.486 -12.191 1.00 0.00 H new ATOM 137 N GLY A 12 -4.077 5.026 -8.222 1.00 0.00 N ATOM 138 CA GLY A 12 -5.052 6.092 -8.065 1.00 0.00 C ATOM 139 C GLY A 12 -4.486 7.233 -7.218 1.00 0.00 C ATOM 140 O GLY A 12 -3.549 7.032 -6.446 1.00 0.00 O ATOM 0 H GLY A 12 -3.146 5.244 -7.868 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -5.342 6.471 -9.045 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -5.954 5.699 -7.596 1.00 0.00 H new ATOM 144 N ILE A 13 -5.078 8.405 -7.390 1.00 0.00 N ATOM 145 CA ILE A 13 -4.644 9.578 -6.650 1.00 0.00 C ATOM 146 C ILE A 13 -4.829 9.329 -5.152 1.00 0.00 C ATOM 147 O ILE A 13 -5.812 8.717 -4.738 1.00 0.00 O ATOM 148 CB ILE A 13 -5.364 10.829 -7.159 1.00 0.00 C ATOM 149 CG1 ILE A 13 -4.742 11.327 -8.465 1.00 0.00 C ATOM 150 CG2 ILE A 13 -5.394 11.919 -6.086 1.00 0.00 C ATOM 151 CD1 ILE A 13 -3.579 12.282 -8.189 1.00 0.00 C ATOM 0 H ILE A 13 -5.855 8.568 -8.031 1.00 0.00 H new ATOM 0 HA ILE A 13 -3.582 9.760 -6.814 1.00 0.00 H new ATOM 0 HB ILE A 13 -6.398 10.563 -7.377 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -4.389 10.478 -9.051 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -5.500 11.834 -9.063 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -5.911 12.797 -6.473 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -5.918 11.548 -5.205 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -4.374 12.190 -5.814 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -3.155 12.621 -9.134 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -3.940 13.141 -7.624 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -2.812 11.765 -7.612 1.00 0.00 H new ATOM 163 N LEU A 14 -3.869 9.816 -4.381 1.00 0.00 N ATOM 164 CA LEU A 14 -3.913 9.653 -2.937 1.00 0.00 C ATOM 165 C LEU A 14 -3.185 10.824 -2.274 1.00 0.00 C ATOM 166 O LEU A 14 -1.992 11.023 -2.496 1.00 0.00 O ATOM 167 CB LEU A 14 -3.367 8.282 -2.536 1.00 0.00 C ATOM 168 CG LEU A 14 -4.405 7.170 -2.365 1.00 0.00 C ATOM 169 CD1 LEU A 14 -3.735 5.848 -1.987 1.00 0.00 C ATOM 170 CD2 LEU A 14 -5.482 7.575 -1.357 1.00 0.00 C ATOM 0 H LEU A 14 -3.055 10.324 -4.728 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.943 9.676 -2.582 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.646 7.966 -3.290 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.822 8.390 -1.598 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.902 7.017 -3.323 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -4.495 5.075 -1.872 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.037 5.556 -2.772 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.195 5.969 -1.048 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.207 6.767 -1.254 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.019 7.772 -0.390 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.988 8.474 -1.707 1.00 0.00 H new ATOM 182 N TYR A 15 -3.933 11.567 -1.472 1.00 0.00 N ATOM 183 CA TYR A 15 -3.374 12.712 -0.775 1.00 0.00 C ATOM 184 C TYR A 15 -2.743 12.291 0.554 1.00 0.00 C ATOM 185 O TYR A 15 -3.383 11.620 1.364 1.00 0.00 O ATOM 186 CB TYR A 15 -4.549 13.650 -0.493 1.00 0.00 C ATOM 187 CG TYR A 15 -5.136 14.306 -1.745 1.00 0.00 C ATOM 188 CD1 TYR A 15 -5.850 13.549 -2.651 1.00 0.00 C ATOM 189 CD2 TYR A 15 -4.950 15.655 -1.967 1.00 0.00 C ATOM 190 CE1 TYR A 15 -6.402 14.166 -3.829 1.00 0.00 C ATOM 191 CE2 TYR A 15 -5.502 16.273 -3.145 1.00 0.00 C ATOM 192 CZ TYR A 15 -6.201 15.498 -4.018 1.00 0.00 C ATOM 193 OH TYR A 15 -6.722 16.081 -5.131 1.00 0.00 O ATOM 0 H TYR A 15 -4.922 11.398 -1.289 1.00 0.00 H new ATOM 0 HA TYR A 15 -2.597 13.184 -1.376 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -5.335 13.089 0.013 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -4.221 14.430 0.194 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -5.995 12.493 -2.476 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -4.391 16.247 -1.258 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -6.963 13.585 -4.546 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -5.364 17.328 -3.331 1.00 0.00 H new ATOM 0 HH TYR A 15 -6.501 17.036 -5.134 1.00 0.00 H new ATOM 203 N LYS A 16 -1.497 12.701 0.738 1.00 0.00 N ATOM 204 CA LYS A 16 -0.773 12.374 1.955 1.00 0.00 C ATOM 205 C LYS A 16 -0.505 13.657 2.744 1.00 0.00 C ATOM 206 O LYS A 16 0.324 14.473 2.345 1.00 0.00 O ATOM 207 CB LYS A 16 0.491 11.577 1.628 1.00 0.00 C ATOM 208 CG LYS A 16 1.292 11.276 2.896 1.00 0.00 C ATOM 209 CD LYS A 16 2.450 10.320 2.600 1.00 0.00 C ATOM 210 CE LYS A 16 3.598 10.526 3.590 1.00 0.00 C ATOM 211 NZ LYS A 16 4.815 10.984 2.884 1.00 0.00 N ATOM 0 H LYS A 16 -0.970 13.257 0.065 1.00 0.00 H new ATOM 0 HA LYS A 16 -1.374 11.727 2.594 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.219 10.644 1.135 1.00 0.00 H new ATOM 0 HB3 LYS A 16 1.109 12.139 0.928 1.00 0.00 H new ATOM 0 HG2 LYS A 16 1.680 12.205 3.314 1.00 0.00 H new ATOM 0 HG3 LYS A 16 0.637 10.837 3.649 1.00 0.00 H new ATOM 0 HD2 LYS A 16 2.099 9.290 2.655 1.00 0.00 H new ATOM 0 HD3 LYS A 16 2.808 10.481 1.583 1.00 0.00 H new ATOM 0 HE2 LYS A 16 3.310 11.259 4.343 1.00 0.00 H new ATOM 0 HE3 LYS A 16 3.804 9.594 4.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 5.585 11.119 3.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 5.098 10.271 2.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 4.619 11.885 2.402 1.00 0.00 H new ATOM 225 N LYS A 17 -1.223 13.796 3.849 1.00 0.00 N ATOM 226 CA LYS A 17 -1.073 14.966 4.697 1.00 0.00 C ATOM 227 C LYS A 17 0.416 15.259 4.895 1.00 0.00 C ATOM 228 O LYS A 17 1.252 14.369 4.748 1.00 0.00 O ATOM 229 CB LYS A 17 -1.842 14.780 6.006 1.00 0.00 C ATOM 230 CG LYS A 17 -2.333 16.124 6.549 1.00 0.00 C ATOM 231 CD LYS A 17 -3.336 15.923 7.687 1.00 0.00 C ATOM 232 CE LYS A 17 -2.656 16.073 9.049 1.00 0.00 C ATOM 233 NZ LYS A 17 -3.255 15.142 10.032 1.00 0.00 N ATOM 0 H LYS A 17 -1.910 13.117 4.177 1.00 0.00 H new ATOM 0 HA LYS A 17 -1.510 15.842 4.219 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -2.692 14.118 5.842 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -1.200 14.298 6.744 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -1.485 16.708 6.906 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -2.798 16.696 5.746 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -4.143 16.650 7.598 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -3.787 14.934 7.609 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -1.589 15.873 8.953 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -2.758 17.099 9.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -2.959 15.412 10.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -4.292 15.186 9.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -2.936 14.173 9.831 1.00 0.00 H new ATOM 337 N TRP A 24 -2.783 19.062 1.973 1.00 0.00 N ATOM 338 CA TRP A 24 -2.264 17.712 1.829 1.00 0.00 C ATOM 339 C TRP A 24 -1.531 17.629 0.488 1.00 0.00 C ATOM 340 O TRP A 24 -1.898 18.310 -0.468 1.00 0.00 O ATOM 341 CB TRP A 24 -3.382 16.677 1.964 1.00 0.00 C ATOM 342 CG TRP A 24 -4.073 16.682 3.329 1.00 0.00 C ATOM 343 CD1 TRP A 24 -4.330 17.732 4.120 1.00 0.00 C ATOM 344 CD2 TRP A 24 -4.587 15.534 4.036 1.00 0.00 C ATOM 345 NE1 TRP A 24 -4.970 17.347 5.281 1.00 0.00 N ATOM 346 CE2 TRP A 24 -5.131 15.967 5.228 1.00 0.00 C ATOM 347 CE3 TRP A 24 -4.593 14.173 3.680 1.00 0.00 C ATOM 348 CZ2 TRP A 24 -5.721 15.105 6.160 1.00 0.00 C ATOM 349 CZ3 TRP A 24 -5.186 13.325 4.623 1.00 0.00 C ATOM 350 CH2 TRP A 24 -5.738 13.746 5.827 1.00 0.00 C ATOM 0 HA TRP A 24 -1.558 17.483 2.627 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -4.128 16.860 1.190 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -2.969 15.685 1.781 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -4.069 18.752 3.880 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -5.269 17.962 6.038 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -4.173 13.811 2.753 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -6.140 15.469 7.086 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -5.217 12.269 4.399 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -6.178 13.027 6.503 1.00 0.00 H new ATOM 361 N LYS A 25 -0.507 16.788 0.461 1.00 0.00 N ATOM 362 CA LYS A 25 0.280 16.606 -0.746 1.00 0.00 C ATOM 363 C LYS A 25 -0.392 15.558 -1.636 1.00 0.00 C ATOM 364 O LYS A 25 -0.388 14.371 -1.314 1.00 0.00 O ATOM 365 CB LYS A 25 1.732 16.273 -0.393 1.00 0.00 C ATOM 366 CG LYS A 25 2.481 17.521 0.077 1.00 0.00 C ATOM 367 CD LYS A 25 3.292 17.230 1.342 1.00 0.00 C ATOM 368 CE LYS A 25 4.167 18.426 1.720 1.00 0.00 C ATOM 369 NZ LYS A 25 5.596 18.118 1.486 1.00 0.00 N ATOM 0 H LYS A 25 -0.205 16.225 1.256 1.00 0.00 H new ATOM 0 HA LYS A 25 0.319 17.533 -1.319 1.00 0.00 H new ATOM 0 HB2 LYS A 25 1.755 15.514 0.389 1.00 0.00 H new ATOM 0 HB3 LYS A 25 2.234 15.849 -1.263 1.00 0.00 H new ATOM 0 HG2 LYS A 25 3.146 17.870 -0.713 1.00 0.00 H new ATOM 0 HG3 LYS A 25 1.770 18.324 0.273 1.00 0.00 H new ATOM 0 HD2 LYS A 25 2.617 16.994 2.165 1.00 0.00 H new ATOM 0 HD3 LYS A 25 3.919 16.352 1.183 1.00 0.00 H new ATOM 0 HE2 LYS A 25 3.876 19.297 1.133 1.00 0.00 H new ATOM 0 HE3 LYS A 25 4.011 18.681 2.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 6.176 18.941 1.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 5.874 17.300 2.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 5.743 17.897 0.481 1.00 0.00 H new ATOM 383 N ALA A 26 -0.953 16.036 -2.737 1.00 0.00 N ATOM 384 CA ALA A 26 -1.628 15.156 -3.675 1.00 0.00 C ATOM 385 C ALA A 26 -0.603 14.582 -4.656 1.00 0.00 C ATOM 386 O ALA A 26 -0.016 15.318 -5.447 1.00 0.00 O ATOM 387 CB ALA A 26 -2.745 15.924 -4.383 1.00 0.00 C ATOM 0 H ALA A 26 -0.954 17.021 -3.000 1.00 0.00 H new ATOM 0 HA ALA A 26 -2.090 14.319 -3.152 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -3.251 15.263 -5.087 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -3.461 16.286 -3.646 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -2.320 16.771 -4.922 1.00 0.00 H new ATOM 393 N ARG A 27 -0.421 13.272 -4.572 1.00 0.00 N ATOM 394 CA ARG A 27 0.523 12.591 -5.443 1.00 0.00 C ATOM 395 C ARG A 27 -0.025 11.222 -5.851 1.00 0.00 C ATOM 396 O ARG A 27 -0.864 10.652 -5.154 1.00 0.00 O ATOM 397 CB ARG A 27 1.875 12.406 -4.752 1.00 0.00 C ATOM 398 CG ARG A 27 2.483 13.756 -4.366 1.00 0.00 C ATOM 399 CD ARG A 27 3.881 13.578 -3.772 1.00 0.00 C ATOM 400 NE ARG A 27 4.239 14.760 -2.955 1.00 0.00 N ATOM 401 CZ ARG A 27 5.344 14.846 -2.202 1.00 0.00 C ATOM 402 NH1 ARG A 27 6.206 13.821 -2.157 1.00 0.00 N ATOM 403 NH2 ARG A 27 5.586 15.958 -1.494 1.00 0.00 N ATOM 0 H ARG A 27 -0.911 12.664 -3.915 1.00 0.00 H new ATOM 0 HA ARG A 27 0.663 13.210 -6.329 1.00 0.00 H new ATOM 0 HB2 ARG A 27 1.751 11.791 -3.861 1.00 0.00 H new ATOM 0 HB3 ARG A 27 2.556 11.873 -5.415 1.00 0.00 H new ATOM 0 HG2 ARG A 27 2.536 14.399 -5.244 1.00 0.00 H new ATOM 0 HG3 ARG A 27 1.838 14.256 -3.643 1.00 0.00 H new ATOM 0 HD2 ARG A 27 3.912 12.678 -3.158 1.00 0.00 H new ATOM 0 HD3 ARG A 27 4.610 13.444 -4.571 1.00 0.00 H new ATOM 0 HE ARG A 27 3.605 15.559 -2.966 1.00 0.00 H new ATOM 0 HH11 ARG A 27 6.021 12.975 -2.696 1.00 0.00 H new ATOM 0 HH12 ARG A 27 7.047 13.887 -1.584 1.00 0.00 H new ATOM 0 HH21 ARG A 27 4.929 16.738 -1.529 1.00 0.00 H new ATOM 0 HH22 ARG A 27 6.427 16.025 -0.920 1.00 0.00 H new ATOM 417 N TRP A 28 0.471 10.733 -6.978 1.00 0.00 N ATOM 418 CA TRP A 28 0.042 9.442 -7.487 1.00 0.00 C ATOM 419 C TRP A 28 0.671 8.356 -6.612 1.00 0.00 C ATOM 420 O TRP A 28 1.873 8.382 -6.352 1.00 0.00 O ATOM 421 CB TRP A 28 0.392 9.293 -8.969 1.00 0.00 C ATOM 422 CG TRP A 28 -0.275 8.095 -9.649 1.00 0.00 C ATOM 423 CD1 TRP A 28 0.254 6.890 -9.902 1.00 0.00 C ATOM 424 CD2 TRP A 28 -1.626 8.036 -10.154 1.00 0.00 C ATOM 425 NE1 TRP A 28 -0.653 6.062 -10.532 1.00 0.00 N ATOM 426 CE2 TRP A 28 -1.832 6.781 -10.690 1.00 0.00 C ATOM 427 CE3 TRP A 28 -2.639 9.010 -10.159 1.00 0.00 C ATOM 428 CZ2 TRP A 28 -3.043 6.385 -11.270 1.00 0.00 C ATOM 429 CZ3 TRP A 28 -3.843 8.599 -10.742 1.00 0.00 C ATOM 430 CH2 TRP A 28 -4.067 7.340 -11.285 1.00 0.00 C ATOM 0 H TRP A 28 1.166 11.208 -7.553 1.00 0.00 H new ATOM 0 HA TRP A 28 -1.043 9.347 -7.433 1.00 0.00 H new ATOM 0 HB2 TRP A 28 0.102 10.203 -9.494 1.00 0.00 H new ATOM 0 HB3 TRP A 28 1.473 9.199 -9.069 1.00 0.00 H new ATOM 0 HD1 TRP A 28 1.263 6.603 -9.645 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -0.488 5.100 -10.827 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -2.499 9.998 -9.746 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -3.180 5.397 -11.683 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -4.655 9.310 -10.772 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -5.027 7.099 -11.717 1.00 0.00 H new ATOM 441 N PHE A 29 -0.170 7.427 -6.182 1.00 0.00 N ATOM 442 CA PHE A 29 0.289 6.334 -5.341 1.00 0.00 C ATOM 443 C PHE A 29 0.167 4.994 -6.069 1.00 0.00 C ATOM 444 O PHE A 29 -0.419 4.920 -7.148 1.00 0.00 O ATOM 445 CB PHE A 29 -0.612 6.312 -4.105 1.00 0.00 C ATOM 446 CG PHE A 29 -0.098 7.169 -2.946 1.00 0.00 C ATOM 447 CD1 PHE A 29 0.602 8.307 -3.200 1.00 0.00 C ATOM 448 CD2 PHE A 29 -0.343 6.794 -1.662 1.00 0.00 C ATOM 449 CE1 PHE A 29 1.079 9.103 -2.125 1.00 0.00 C ATOM 450 CE2 PHE A 29 0.133 7.590 -0.586 1.00 0.00 C ATOM 451 CZ PHE A 29 0.834 8.727 -0.841 1.00 0.00 C ATOM 0 H PHE A 29 -1.166 7.408 -6.400 1.00 0.00 H new ATOM 0 HA PHE A 29 1.337 6.481 -5.079 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -1.606 6.658 -4.387 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -0.718 5.282 -3.763 1.00 0.00 H new ATOM 0 HD1 PHE A 29 0.795 8.606 -4.220 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -0.900 5.891 -1.460 1.00 0.00 H new ATOM 0 HE1 PHE A 29 1.636 10.006 -2.327 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -0.062 7.292 0.434 1.00 0.00 H new ATOM 0 HZ PHE A 29 1.197 9.332 -0.023 1.00 0.00 H new ATOM 461 N VAL A 30 0.731 3.967 -5.450 1.00 0.00 N ATOM 462 CA VAL A 30 0.693 2.633 -6.026 1.00 0.00 C ATOM 463 C VAL A 30 0.411 1.613 -4.921 1.00 0.00 C ATOM 464 O VAL A 30 1.096 1.594 -3.900 1.00 0.00 O ATOM 465 CB VAL A 30 1.993 2.352 -6.782 1.00 0.00 C ATOM 466 CG1 VAL A 30 2.074 0.885 -7.208 1.00 0.00 C ATOM 467 CG2 VAL A 30 2.138 3.282 -7.988 1.00 0.00 C ATOM 0 H VAL A 30 1.217 4.032 -4.555 1.00 0.00 H new ATOM 0 HA VAL A 30 -0.114 2.554 -6.754 1.00 0.00 H new ATOM 0 HB VAL A 30 2.824 2.550 -6.104 1.00 0.00 H new ATOM 0 HG11 VAL A 30 3.008 0.713 -7.743 1.00 0.00 H new ATOM 0 HG12 VAL A 30 2.039 0.247 -6.325 1.00 0.00 H new ATOM 0 HG13 VAL A 30 1.233 0.648 -7.860 1.00 0.00 H new ATOM 0 HG21 VAL A 30 3.070 3.061 -8.508 1.00 0.00 H new ATOM 0 HG22 VAL A 30 1.299 3.130 -8.667 1.00 0.00 H new ATOM 0 HG23 VAL A 30 2.148 4.318 -7.649 1.00 0.00 H new ATOM 477 N LEU A 31 -0.598 0.790 -5.163 1.00 0.00 N ATOM 478 CA LEU A 31 -0.978 -0.231 -4.202 1.00 0.00 C ATOM 479 C LEU A 31 -0.430 -1.585 -4.657 1.00 0.00 C ATOM 480 O LEU A 31 -1.131 -2.354 -5.312 1.00 0.00 O ATOM 481 CB LEU A 31 -2.493 -0.223 -3.983 1.00 0.00 C ATOM 482 CG LEU A 31 -2.968 -0.560 -2.568 1.00 0.00 C ATOM 483 CD1 LEU A 31 -3.278 -2.052 -2.435 1.00 0.00 C ATOM 484 CD2 LEU A 31 -1.955 -0.089 -1.523 1.00 0.00 C ATOM 0 H LEU A 31 -1.164 0.809 -6.011 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.536 -0.020 -3.228 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.873 0.764 -4.247 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -2.944 -0.934 -4.675 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.897 -0.021 -2.381 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.613 -2.265 -1.420 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.062 -2.325 -3.141 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.380 -2.631 -2.649 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.317 -0.341 -0.526 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.998 -0.581 -1.697 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.827 0.991 -1.601 1.00 0.00 H new ATOM 496 N ASP A 32 0.819 -1.834 -4.292 1.00 0.00 N ATOM 497 CA ASP A 32 1.470 -3.081 -4.655 1.00 0.00 C ATOM 498 C ASP A 32 0.792 -4.238 -3.918 1.00 0.00 C ATOM 499 O ASP A 32 0.340 -4.078 -2.786 1.00 0.00 O ATOM 500 CB ASP A 32 2.947 -3.068 -4.256 1.00 0.00 C ATOM 501 CG ASP A 32 3.581 -4.449 -4.077 1.00 0.00 C ATOM 502 OD1 ASP A 32 3.252 -5.335 -4.895 1.00 0.00 O ATOM 503 OD2 ASP A 32 4.381 -4.587 -3.126 1.00 0.00 O ATOM 0 H ASP A 32 1.397 -1.193 -3.749 1.00 0.00 H new ATOM 0 HA ASP A 32 1.389 -3.202 -5.735 1.00 0.00 H new ATOM 0 HB2 ASP A 32 3.508 -2.523 -5.015 1.00 0.00 H new ATOM 0 HB3 ASP A 32 3.051 -2.513 -3.323 1.00 0.00 H new ATOM 508 N LYS A 33 0.743 -5.378 -4.591 1.00 0.00 N ATOM 509 CA LYS A 33 0.128 -6.562 -4.015 1.00 0.00 C ATOM 510 C LYS A 33 1.161 -7.688 -3.950 1.00 0.00 C ATOM 511 O LYS A 33 1.235 -8.411 -2.958 1.00 0.00 O ATOM 512 CB LYS A 33 -1.141 -6.935 -4.784 1.00 0.00 C ATOM 513 CG LYS A 33 -0.954 -6.718 -6.287 1.00 0.00 C ATOM 514 CD LYS A 33 -1.992 -7.508 -7.088 1.00 0.00 C ATOM 515 CE LYS A 33 -1.485 -8.917 -7.402 1.00 0.00 C ATOM 516 NZ LYS A 33 -2.605 -9.885 -7.391 1.00 0.00 N ATOM 0 H LYS A 33 1.119 -5.507 -5.530 1.00 0.00 H new ATOM 0 HA LYS A 33 -0.193 -6.365 -2.992 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -1.394 -7.978 -4.592 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -1.977 -6.333 -4.427 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -1.042 -5.656 -6.519 1.00 0.00 H new ATOM 0 HG3 LYS A 33 0.049 -7.027 -6.581 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -2.922 -7.570 -6.523 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -2.217 -6.983 -8.016 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -0.998 -8.926 -8.377 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -0.734 -9.212 -6.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -2.244 -10.836 -7.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -3.052 -9.888 -6.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -3.307 -9.611 -8.108 1.00 0.00 H new ATOM 530 N THR A 34 1.934 -7.802 -5.020 1.00 0.00 N ATOM 531 CA THR A 34 2.960 -8.828 -5.097 1.00 0.00 C ATOM 532 C THR A 34 3.844 -8.793 -3.850 1.00 0.00 C ATOM 533 O THR A 34 4.170 -9.836 -3.285 1.00 0.00 O ATOM 534 CB THR A 34 3.737 -8.623 -6.399 1.00 0.00 C ATOM 535 OG1 THR A 34 4.379 -7.363 -6.225 1.00 0.00 O ATOM 536 CG2 THR A 34 2.817 -8.409 -7.603 1.00 0.00 C ATOM 0 H THR A 34 1.870 -7.200 -5.841 1.00 0.00 H new ATOM 0 HA THR A 34 2.521 -9.825 -5.117 1.00 0.00 H new ATOM 0 HB THR A 34 4.376 -9.487 -6.580 1.00 0.00 H new ATOM 0 HG1 THR A 34 3.713 -6.688 -5.978 1.00 0.00 H new ATOM 0 HG21 THR A 34 3.419 -8.269 -8.501 1.00 0.00 H new ATOM 0 HG22 THR A 34 2.175 -9.281 -7.730 1.00 0.00 H new ATOM 0 HG23 THR A 34 2.201 -7.525 -7.438 1.00 0.00 H new ATOM 544 N LYS A 35 4.208 -7.581 -3.455 1.00 0.00 N ATOM 545 CA LYS A 35 5.048 -7.396 -2.285 1.00 0.00 C ATOM 546 C LYS A 35 4.277 -6.603 -1.228 1.00 0.00 C ATOM 547 O LYS A 35 4.841 -6.205 -0.210 1.00 0.00 O ATOM 548 CB LYS A 35 6.383 -6.759 -2.678 1.00 0.00 C ATOM 549 CG LYS A 35 7.245 -7.741 -3.475 1.00 0.00 C ATOM 550 CD LYS A 35 8.630 -7.891 -2.844 1.00 0.00 C ATOM 551 CE LYS A 35 9.599 -8.582 -3.806 1.00 0.00 C ATOM 552 NZ LYS A 35 10.254 -7.587 -4.685 1.00 0.00 N ATOM 0 H LYS A 35 3.936 -6.718 -3.925 1.00 0.00 H new ATOM 0 HA LYS A 35 5.299 -8.360 -1.841 1.00 0.00 H new ATOM 0 HB2 LYS A 35 6.202 -5.863 -3.272 1.00 0.00 H new ATOM 0 HB3 LYS A 35 6.918 -6.444 -1.782 1.00 0.00 H new ATOM 0 HG2 LYS A 35 6.753 -8.713 -3.516 1.00 0.00 H new ATOM 0 HG3 LYS A 35 7.345 -7.391 -4.503 1.00 0.00 H new ATOM 0 HD2 LYS A 35 9.019 -6.909 -2.574 1.00 0.00 H new ATOM 0 HD3 LYS A 35 8.553 -8.468 -1.923 1.00 0.00 H new ATOM 0 HE2 LYS A 35 10.353 -9.129 -3.241 1.00 0.00 H new ATOM 0 HE3 LYS A 35 9.062 -9.312 -4.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 10.908 -8.072 -5.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 9.531 -7.083 -5.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 10.783 -6.906 -4.104 1.00 0.00 H new ATOM 566 N HIS A 36 2.998 -6.397 -1.506 1.00 0.00 N ATOM 567 CA HIS A 36 2.143 -5.658 -0.593 1.00 0.00 C ATOM 568 C HIS A 36 2.911 -4.465 -0.022 1.00 0.00 C ATOM 569 O HIS A 36 3.508 -4.562 1.049 1.00 0.00 O ATOM 570 CB HIS A 36 1.585 -6.580 0.494 1.00 0.00 C ATOM 571 CG HIS A 36 2.592 -7.563 1.042 1.00 0.00 C ATOM 572 ND1 HIS A 36 2.480 -8.930 0.859 1.00 0.00 N ATOM 573 CD2 HIS A 36 3.729 -7.363 1.767 1.00 0.00 C ATOM 574 CE1 HIS A 36 3.509 -9.517 1.453 1.00 0.00 C ATOM 575 NE2 HIS A 36 4.282 -8.544 2.015 1.00 0.00 N ATOM 0 H HIS A 36 2.533 -6.729 -2.351 1.00 0.00 H new ATOM 0 HA HIS A 36 1.281 -5.265 -1.133 1.00 0.00 H new ATOM 0 HB2 HIS A 36 1.205 -5.970 1.313 1.00 0.00 H new ATOM 0 HB3 HIS A 36 0.737 -7.132 0.088 1.00 0.00 H new ATOM 0 HD2 HIS A 36 4.115 -6.406 2.086 1.00 0.00 H new ATOM 0 HE1 HIS A 36 3.702 -10.579 1.486 1.00 0.00 H new ATOM 0 HE2 HIS A 36 5.143 -8.698 2.539 1.00 0.00 H new ATOM 583 N GLN A 37 2.871 -3.367 -0.762 1.00 0.00 N ATOM 584 CA GLN A 37 3.557 -2.156 -0.343 1.00 0.00 C ATOM 585 C GLN A 37 2.858 -0.924 -0.921 1.00 0.00 C ATOM 586 O GLN A 37 1.985 -1.046 -1.779 1.00 0.00 O ATOM 587 CB GLN A 37 5.031 -2.192 -0.750 1.00 0.00 C ATOM 588 CG GLN A 37 5.822 -3.152 0.141 1.00 0.00 C ATOM 589 CD GLN A 37 7.251 -2.648 0.357 1.00 0.00 C ATOM 590 OE1 GLN A 37 7.624 -2.201 1.428 1.00 0.00 O ATOM 591 NE2 GLN A 37 8.027 -2.746 -0.719 1.00 0.00 N ATOM 0 H GLN A 37 2.374 -3.290 -1.650 1.00 0.00 H new ATOM 0 HA GLN A 37 3.516 -2.096 0.745 1.00 0.00 H new ATOM 0 HB2 GLN A 37 5.117 -2.502 -1.791 1.00 0.00 H new ATOM 0 HB3 GLN A 37 5.456 -1.191 -0.679 1.00 0.00 H new ATOM 0 HG2 GLN A 37 5.321 -3.258 1.103 1.00 0.00 H new ATOM 0 HG3 GLN A 37 5.847 -4.141 -0.316 1.00 0.00 H new ATOM 0 HE21 GLN A 37 7.651 -3.130 -1.586 1.00 0.00 H new ATOM 0 HE22 GLN A 37 8.998 -2.437 -0.677 1.00 0.00 H new ATOM 600 N LEU A 38 3.269 0.235 -0.428 1.00 0.00 N ATOM 601 CA LEU A 38 2.693 1.489 -0.884 1.00 0.00 C ATOM 602 C LEU A 38 3.793 2.353 -1.506 1.00 0.00 C ATOM 603 O LEU A 38 4.603 2.942 -0.791 1.00 0.00 O ATOM 604 CB LEU A 38 1.939 2.178 0.254 1.00 0.00 C ATOM 605 CG LEU A 38 0.612 2.839 -0.124 1.00 0.00 C ATOM 606 CD1 LEU A 38 -0.449 2.594 0.951 1.00 0.00 C ATOM 607 CD2 LEU A 38 0.803 4.329 -0.411 1.00 0.00 C ATOM 0 H LEU A 38 3.994 0.332 0.283 1.00 0.00 H new ATOM 0 HA LEU A 38 1.951 1.307 -1.662 1.00 0.00 H new ATOM 0 HB2 LEU A 38 1.746 1.441 1.034 1.00 0.00 H new ATOM 0 HB3 LEU A 38 2.590 2.937 0.687 1.00 0.00 H new ATOM 0 HG LEU A 38 0.251 2.378 -1.043 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -1.382 3.075 0.657 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.612 1.522 1.063 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -0.109 3.011 1.899 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.156 4.774 -0.677 1.00 0.00 H new ATOM 0 HD22 LEU A 38 1.198 4.823 0.477 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.503 4.454 -1.237 1.00 0.00 H new ATOM 619 N ARG A 39 3.785 2.402 -2.830 1.00 0.00 N ATOM 620 CA ARG A 39 4.771 3.185 -3.555 1.00 0.00 C ATOM 621 C ARG A 39 4.122 4.434 -4.154 1.00 0.00 C ATOM 622 O ARG A 39 3.122 4.339 -4.864 1.00 0.00 O ATOM 623 CB ARG A 39 5.410 2.363 -4.677 1.00 0.00 C ATOM 624 CG ARG A 39 5.878 1.001 -4.160 1.00 0.00 C ATOM 625 CD ARG A 39 7.010 0.445 -5.027 1.00 0.00 C ATOM 626 NE ARG A 39 7.354 -0.927 -4.592 1.00 0.00 N ATOM 627 CZ ARG A 39 7.990 -1.821 -5.361 1.00 0.00 C ATOM 628 NH1 ARG A 39 8.355 -1.494 -6.608 1.00 0.00 N ATOM 629 NH2 ARG A 39 8.261 -3.043 -4.882 1.00 0.00 N ATOM 0 H ARG A 39 3.112 1.912 -3.419 1.00 0.00 H new ATOM 0 HA ARG A 39 5.546 3.478 -2.847 1.00 0.00 H new ATOM 0 HB2 ARG A 39 4.691 2.222 -5.484 1.00 0.00 H new ATOM 0 HB3 ARG A 39 6.256 2.908 -5.095 1.00 0.00 H new ATOM 0 HG2 ARG A 39 6.218 1.097 -3.129 1.00 0.00 H new ATOM 0 HG3 ARG A 39 5.041 0.302 -4.156 1.00 0.00 H new ATOM 0 HD2 ARG A 39 6.707 0.438 -6.074 1.00 0.00 H new ATOM 0 HD3 ARG A 39 7.886 1.089 -4.953 1.00 0.00 H new ATOM 0 HE ARG A 39 7.091 -1.210 -3.648 1.00 0.00 H new ATOM 0 HH11 ARG A 39 8.149 -0.564 -6.972 1.00 0.00 H new ATOM 0 HH12 ARG A 39 8.839 -2.175 -7.193 1.00 0.00 H new ATOM 0 HH21 ARG A 39 7.983 -3.292 -3.933 1.00 0.00 H new ATOM 0 HH22 ARG A 39 8.745 -3.724 -5.467 1.00 0.00 H new ATOM 643 N TYR A 40 4.717 5.577 -3.845 1.00 0.00 N ATOM 644 CA TYR A 40 4.209 6.844 -4.343 1.00 0.00 C ATOM 645 C TYR A 40 5.338 7.696 -4.925 1.00 0.00 C ATOM 646 O TYR A 40 6.463 7.666 -4.428 1.00 0.00 O ATOM 647 CB TYR A 40 3.613 7.565 -3.133 1.00 0.00 C ATOM 648 CG TYR A 40 4.654 8.041 -2.118 1.00 0.00 C ATOM 649 CD1 TYR A 40 5.495 9.089 -2.431 1.00 0.00 C ATOM 650 CD2 TYR A 40 4.752 7.421 -0.888 1.00 0.00 C ATOM 651 CE1 TYR A 40 6.475 9.537 -1.476 1.00 0.00 C ATOM 652 CE2 TYR A 40 5.732 7.869 0.068 1.00 0.00 C ATOM 653 CZ TYR A 40 6.545 8.905 -0.274 1.00 0.00 C ATOM 654 OH TYR A 40 7.470 9.327 0.629 1.00 0.00 O ATOM 0 H TYR A 40 5.546 5.652 -3.256 1.00 0.00 H new ATOM 0 HA TYR A 40 3.477 6.680 -5.133 1.00 0.00 H new ATOM 0 HB2 TYR A 40 3.040 8.425 -3.481 1.00 0.00 H new ATOM 0 HB3 TYR A 40 2.912 6.896 -2.633 1.00 0.00 H new ATOM 0 HD1 TYR A 40 5.418 9.574 -3.393 1.00 0.00 H new ATOM 0 HD2 TYR A 40 4.094 6.600 -0.643 1.00 0.00 H new ATOM 0 HE1 TYR A 40 7.139 10.356 -1.709 1.00 0.00 H new ATOM 0 HE2 TYR A 40 5.819 7.394 1.034 1.00 0.00 H new ATOM 0 HH TYR A 40 7.404 8.785 1.443 1.00 0.00 H new ATOM 664 N TYR A 41 4.999 8.437 -5.971 1.00 0.00 N ATOM 665 CA TYR A 41 5.970 9.296 -6.625 1.00 0.00 C ATOM 666 C TYR A 41 5.366 10.667 -6.939 1.00 0.00 C ATOM 667 O TYR A 41 4.156 10.858 -6.821 1.00 0.00 O ATOM 668 CB TYR A 41 6.332 8.600 -7.938 1.00 0.00 C ATOM 669 CG TYR A 41 6.372 7.073 -7.842 1.00 0.00 C ATOM 670 CD1 TYR A 41 5.207 6.365 -7.628 1.00 0.00 C ATOM 671 CD2 TYR A 41 7.572 6.404 -7.970 1.00 0.00 C ATOM 672 CE1 TYR A 41 5.244 4.928 -7.537 1.00 0.00 C ATOM 673 CE2 TYR A 41 7.609 4.967 -7.880 1.00 0.00 C ATOM 674 CZ TYR A 41 6.443 4.300 -7.668 1.00 0.00 C ATOM 675 OH TYR A 41 6.478 2.944 -7.583 1.00 0.00 O ATOM 0 H TYR A 41 4.065 8.459 -6.381 1.00 0.00 H new ATOM 0 HA TYR A 41 6.836 9.454 -5.982 1.00 0.00 H new ATOM 0 HB2 TYR A 41 5.609 8.887 -8.701 1.00 0.00 H new ATOM 0 HB3 TYR A 41 7.306 8.959 -8.271 1.00 0.00 H new ATOM 0 HD1 TYR A 41 4.268 6.888 -7.529 1.00 0.00 H new ATOM 0 HD2 TYR A 41 8.484 6.958 -8.138 1.00 0.00 H new ATOM 0 HE1 TYR A 41 4.340 4.362 -7.369 1.00 0.00 H new ATOM 0 HE2 TYR A 41 8.542 4.431 -7.979 1.00 0.00 H new ATOM 0 HH TYR A 41 7.400 2.633 -7.696 1.00 0.00 H new ATOM 836 N VAL A 52 8.046 4.333 0.505 1.00 0.00 N ATOM 837 CA VAL A 52 7.481 2.994 0.539 1.00 0.00 C ATOM 838 C VAL A 52 6.792 2.771 1.887 1.00 0.00 C ATOM 839 O VAL A 52 7.228 3.303 2.907 1.00 0.00 O ATOM 840 CB VAL A 52 8.568 1.959 0.245 1.00 0.00 C ATOM 841 CG1 VAL A 52 8.171 0.580 0.776 1.00 0.00 C ATOM 842 CG2 VAL A 52 8.879 1.902 -1.253 1.00 0.00 C ATOM 0 HA VAL A 52 6.724 2.879 -0.237 1.00 0.00 H new ATOM 0 HB VAL A 52 9.475 2.269 0.764 1.00 0.00 H new ATOM 0 HG11 VAL A 52 8.961 -0.137 0.554 1.00 0.00 H new ATOM 0 HG12 VAL A 52 8.023 0.634 1.855 1.00 0.00 H new ATOM 0 HG13 VAL A 52 7.245 0.259 0.299 1.00 0.00 H new ATOM 0 HG21 VAL A 52 9.655 1.159 -1.435 1.00 0.00 H new ATOM 0 HG22 VAL A 52 7.978 1.628 -1.802 1.00 0.00 H new ATOM 0 HG23 VAL A 52 9.226 2.879 -1.590 1.00 0.00 H new ATOM 852 N ILE A 53 5.728 1.983 1.848 1.00 0.00 N ATOM 853 CA ILE A 53 4.974 1.682 3.054 1.00 0.00 C ATOM 854 C ILE A 53 4.657 0.186 3.092 1.00 0.00 C ATOM 855 O ILE A 53 3.735 -0.274 2.421 1.00 0.00 O ATOM 856 CB ILE A 53 3.736 2.576 3.149 1.00 0.00 C ATOM 857 CG1 ILE A 53 4.044 3.993 2.662 1.00 0.00 C ATOM 858 CG2 ILE A 53 3.162 2.568 4.567 1.00 0.00 C ATOM 859 CD1 ILE A 53 2.772 4.841 2.604 1.00 0.00 C ATOM 0 H ILE A 53 5.370 1.543 1.000 1.00 0.00 H new ATOM 0 HA ILE A 53 5.568 1.905 3.940 1.00 0.00 H new ATOM 0 HB ILE A 53 2.969 2.170 2.489 1.00 0.00 H new ATOM 0 HG12 ILE A 53 4.768 4.461 3.329 1.00 0.00 H new ATOM 0 HG13 ILE A 53 4.502 3.950 1.674 1.00 0.00 H new ATOM 0 HG21 ILE A 53 2.283 3.211 4.607 1.00 0.00 H new ATOM 0 HG22 ILE A 53 2.880 1.551 4.840 1.00 0.00 H new ATOM 0 HG23 ILE A 53 3.913 2.936 5.266 1.00 0.00 H new ATOM 0 HD11 ILE A 53 3.019 5.844 2.255 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.060 4.383 1.918 1.00 0.00 H new ATOM 0 HD13 ILE A 53 2.330 4.902 3.598 1.00 0.00 H new ATOM 871 N ASP A 54 5.440 -0.533 3.884 1.00 0.00 N ATOM 872 CA ASP A 54 5.254 -1.967 4.018 1.00 0.00 C ATOM 873 C ASP A 54 3.834 -2.249 4.514 1.00 0.00 C ATOM 874 O ASP A 54 3.551 -2.123 5.704 1.00 0.00 O ATOM 875 CB ASP A 54 6.234 -2.557 5.034 1.00 0.00 C ATOM 876 CG ASP A 54 6.294 -4.085 5.063 1.00 0.00 C ATOM 877 OD1 ASP A 54 5.412 -4.700 4.426 1.00 0.00 O ATOM 878 OD2 ASP A 54 7.221 -4.605 5.722 1.00 0.00 O ATOM 0 H ASP A 54 6.204 -0.148 4.439 1.00 0.00 H new ATOM 0 HA ASP A 54 5.427 -2.422 3.043 1.00 0.00 H new ATOM 0 HB2 ASP A 54 7.231 -2.173 4.819 1.00 0.00 H new ATOM 0 HB3 ASP A 54 5.962 -2.200 6.028 1.00 0.00 H new ATOM 883 N LEU A 55 2.978 -2.625 3.575 1.00 0.00 N ATOM 884 CA LEU A 55 1.594 -2.926 3.901 1.00 0.00 C ATOM 885 C LEU A 55 1.553 -3.955 5.032 1.00 0.00 C ATOM 886 O LEU A 55 0.580 -4.020 5.782 1.00 0.00 O ATOM 887 CB LEU A 55 0.830 -3.358 2.648 1.00 0.00 C ATOM 888 CG LEU A 55 0.616 -2.277 1.586 1.00 0.00 C ATOM 889 CD1 LEU A 55 0.042 -2.876 0.301 1.00 0.00 C ATOM 890 CD2 LEU A 55 -0.256 -1.142 2.128 1.00 0.00 C ATOM 0 H LEU A 55 3.216 -2.728 2.589 1.00 0.00 H new ATOM 0 HA LEU A 55 1.085 -2.033 4.264 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.365 -4.189 2.189 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.145 -3.737 2.954 1.00 0.00 H new ATOM 0 HG LEU A 55 1.586 -1.848 1.335 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -0.100 -2.086 -0.437 1.00 0.00 H new ATOM 0 HD12 LEU A 55 0.733 -3.621 -0.094 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -0.916 -3.348 0.516 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -0.393 -0.387 1.354 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -1.227 -1.539 2.424 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.230 -0.691 2.993 1.00 0.00 H new ATOM 902 N ALA A 56 2.621 -4.734 5.119 1.00 0.00 N ATOM 903 CA ALA A 56 2.720 -5.758 6.146 1.00 0.00 C ATOM 904 C ALA A 56 2.880 -5.089 7.512 1.00 0.00 C ATOM 905 O ALA A 56 2.549 -5.680 8.539 1.00 0.00 O ATOM 906 CB ALA A 56 3.880 -6.700 5.818 1.00 0.00 C ATOM 0 H ALA A 56 3.426 -4.677 4.495 1.00 0.00 H new ATOM 0 HA ALA A 56 1.811 -6.359 6.178 1.00 0.00 H new ATOM 0 HB1 ALA A 56 3.954 -7.468 6.588 1.00 0.00 H new ATOM 0 HB2 ALA A 56 3.704 -7.172 4.851 1.00 0.00 H new ATOM 0 HB3 ALA A 56 4.810 -6.133 5.781 1.00 0.00 H new ATOM 912 N GLU A 57 3.388 -3.865 7.481 1.00 0.00 N ATOM 913 CA GLU A 57 3.596 -3.110 8.705 1.00 0.00 C ATOM 914 C GLU A 57 2.282 -2.475 9.166 1.00 0.00 C ATOM 915 O GLU A 57 2.176 -2.016 10.302 1.00 0.00 O ATOM 916 CB GLU A 57 4.681 -2.049 8.516 1.00 0.00 C ATOM 917 CG GLU A 57 6.074 -2.682 8.518 1.00 0.00 C ATOM 918 CD GLU A 57 7.161 -1.619 8.347 1.00 0.00 C ATOM 919 OE1 GLU A 57 6.887 -0.461 8.730 1.00 0.00 O ATOM 920 OE2 GLU A 57 8.241 -1.988 7.837 1.00 0.00 O ATOM 0 H GLU A 57 3.661 -3.378 6.628 1.00 0.00 H new ATOM 0 HA GLU A 57 3.937 -3.797 9.480 1.00 0.00 H new ATOM 0 HB2 GLU A 57 4.519 -1.521 7.576 1.00 0.00 H new ATOM 0 HB3 GLU A 57 4.613 -1.308 9.313 1.00 0.00 H new ATOM 0 HG2 GLU A 57 6.231 -3.220 9.453 1.00 0.00 H new ATOM 0 HG3 GLU A 57 6.146 -3.413 7.713 1.00 0.00 H new ATOM 927 N VAL A 58 1.315 -2.469 8.261 1.00 0.00 N ATOM 928 CA VAL A 58 0.013 -1.898 8.561 1.00 0.00 C ATOM 929 C VAL A 58 -0.731 -2.818 9.531 1.00 0.00 C ATOM 930 O VAL A 58 -0.868 -4.013 9.277 1.00 0.00 O ATOM 931 CB VAL A 58 -0.760 -1.646 7.265 1.00 0.00 C ATOM 932 CG1 VAL A 58 -2.203 -1.233 7.558 1.00 0.00 C ATOM 933 CG2 VAL A 58 -0.054 -0.599 6.401 1.00 0.00 C ATOM 0 H VAL A 58 1.407 -2.850 7.319 1.00 0.00 H new ATOM 0 HA VAL A 58 0.124 -0.930 9.050 1.00 0.00 H new ATOM 0 HB VAL A 58 -0.787 -2.580 6.704 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -2.730 -1.060 6.619 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -2.703 -2.026 8.114 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -2.206 -0.318 8.150 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -0.624 -0.438 5.486 1.00 0.00 H new ATOM 0 HG22 VAL A 58 0.019 0.338 6.952 1.00 0.00 H new ATOM 0 HG23 VAL A 58 0.946 -0.950 6.149 1.00 0.00 H new ATOM 943 N GLU A 59 -1.192 -2.225 10.623 1.00 0.00 N ATOM 944 CA GLU A 59 -1.919 -2.976 11.632 1.00 0.00 C ATOM 945 C GLU A 59 -3.417 -2.972 11.320 1.00 0.00 C ATOM 946 O GLU A 59 -4.129 -3.915 11.665 1.00 0.00 O ATOM 947 CB GLU A 59 -1.649 -2.418 13.031 1.00 0.00 C ATOM 948 CG GLU A 59 -0.191 -2.641 13.438 1.00 0.00 C ATOM 949 CD GLU A 59 -0.088 -3.672 14.564 1.00 0.00 C ATOM 950 OE1 GLU A 59 -0.778 -3.467 15.586 1.00 0.00 O ATOM 951 OE2 GLU A 59 0.677 -4.642 14.377 1.00 0.00 O ATOM 0 H GLU A 59 -1.076 -1.233 10.831 1.00 0.00 H new ATOM 0 HA GLU A 59 -1.567 -4.007 11.614 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -1.877 -1.352 13.052 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -2.309 -2.899 13.752 1.00 0.00 H new ATOM 0 HG2 GLU A 59 0.383 -2.980 12.576 1.00 0.00 H new ATOM 0 HG3 GLU A 59 0.248 -1.698 13.762 1.00 0.00 H new ATOM 958 N ALA A 60 -3.852 -1.902 10.672 1.00 0.00 N ATOM 959 CA ALA A 60 -5.252 -1.763 10.310 1.00 0.00 C ATOM 960 C ALA A 60 -5.518 -0.325 9.860 1.00 0.00 C ATOM 961 O ALA A 60 -4.720 0.571 10.129 1.00 0.00 O ATOM 962 CB ALA A 60 -6.129 -2.176 11.494 1.00 0.00 C ATOM 0 H ALA A 60 -3.259 -1.122 10.388 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.500 -2.420 9.476 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -7.179 -2.072 11.223 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -5.923 -3.214 11.755 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -5.910 -1.537 12.349 1.00 0.00 H new ATOM 968 N VAL A 61 -6.643 -0.150 9.183 1.00 0.00 N ATOM 969 CA VAL A 61 -7.025 1.164 8.693 1.00 0.00 C ATOM 970 C VAL A 61 -8.469 1.458 9.105 1.00 0.00 C ATOM 971 O VAL A 61 -9.244 0.538 9.364 1.00 0.00 O ATOM 972 CB VAL A 61 -6.807 1.243 7.181 1.00 0.00 C ATOM 973 CG1 VAL A 61 -6.952 -0.136 6.534 1.00 0.00 C ATOM 974 CG2 VAL A 61 -7.762 2.252 6.541 1.00 0.00 C ATOM 0 H VAL A 61 -7.303 -0.896 8.962 1.00 0.00 H new ATOM 0 HA VAL A 61 -6.396 1.935 9.139 1.00 0.00 H new ATOM 0 HB VAL A 61 -5.788 1.590 7.007 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -6.792 -0.052 5.459 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -6.214 -0.816 6.958 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -7.953 -0.523 6.723 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -7.586 2.288 5.466 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -8.792 1.949 6.730 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -7.590 3.239 6.971 1.00 0.00 H new ATOM 984 N ALA A 62 -8.787 2.743 9.154 1.00 0.00 N ATOM 985 CA ALA A 62 -10.124 3.169 9.530 1.00 0.00 C ATOM 986 C ALA A 62 -10.503 4.414 8.725 1.00 0.00 C ATOM 987 O ALA A 62 -9.656 5.262 8.451 1.00 0.00 O ATOM 988 CB ALA A 62 -10.177 3.412 11.040 1.00 0.00 C ATOM 0 H ALA A 62 -8.142 3.503 8.940 1.00 0.00 H new ATOM 0 HA ALA A 62 -10.853 2.393 9.299 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -11.180 3.732 11.322 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -9.929 2.490 11.566 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -9.460 4.188 11.309 1.00 0.00 H new ATOM 994 N PRO A 63 -11.812 4.486 8.360 1.00 0.00 N ATOM 995 CA PRO A 63 -12.313 5.613 7.593 1.00 0.00 C ATOM 996 C PRO A 63 -12.454 6.857 8.473 1.00 0.00 C ATOM 997 O PRO A 63 -13.464 7.028 9.154 1.00 0.00 O ATOM 998 CB PRO A 63 -13.638 5.139 7.018 1.00 0.00 C ATOM 999 CG PRO A 63 -14.052 3.941 7.857 1.00 0.00 C ATOM 1000 CD PRO A 63 -12.844 3.500 8.668 1.00 0.00 C ATOM 0 HA PRO A 63 -11.633 5.915 6.796 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -14.389 5.928 7.066 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -13.532 4.863 5.969 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -14.879 4.204 8.516 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -14.400 3.129 7.218 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -13.068 3.481 9.735 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -12.527 2.495 8.391 1.00 0.00 H new ATOM 1008 N GLY A 64 -11.427 7.692 8.429 1.00 0.00 N ATOM 1009 CA GLY A 64 -11.424 8.915 9.214 1.00 0.00 C ATOM 1010 C GLY A 64 -12.350 9.965 8.598 1.00 0.00 C ATOM 1011 O GLY A 64 -13.131 9.658 7.698 1.00 0.00 O ATOM 0 H GLY A 64 -10.591 7.546 7.862 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -11.743 8.698 10.233 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -10.410 9.310 9.274 1.00 0.00 H new ATOM 1015 N THR A 65 -12.234 11.183 9.106 1.00 0.00 N ATOM 1016 CA THR A 65 -13.051 12.280 8.617 1.00 0.00 C ATOM 1017 C THR A 65 -12.166 13.396 8.057 1.00 0.00 C ATOM 1018 O THR A 65 -10.978 13.466 8.368 1.00 0.00 O ATOM 1019 CB THR A 65 -13.958 12.740 9.759 1.00 0.00 C ATOM 1020 OG1 THR A 65 -13.160 12.568 10.927 1.00 0.00 O ATOM 1021 CG2 THR A 65 -15.146 11.801 9.978 1.00 0.00 C ATOM 0 H THR A 65 -11.586 11.434 9.852 1.00 0.00 H new ATOM 0 HA THR A 65 -13.684 11.963 7.788 1.00 0.00 H new ATOM 0 HB THR A 65 -14.324 13.745 9.549 1.00 0.00 H new ATOM 0 HG1 THR A 65 -13.671 12.845 11.716 1.00 0.00 H new ATOM 0 HG21 THR A 65 -15.758 12.174 10.800 1.00 0.00 H new ATOM 0 HG22 THR A 65 -15.747 11.756 9.070 1.00 0.00 H new ATOM 0 HG23 THR A 65 -14.781 10.803 10.221 1.00 0.00 H new ATOM 1029 N PRO A 66 -12.795 14.263 7.219 1.00 0.00 N ATOM 1030 CA PRO A 66 -12.078 15.371 6.613 1.00 0.00 C ATOM 1031 C PRO A 66 -11.827 16.485 7.632 1.00 0.00 C ATOM 1032 O PRO A 66 -12.746 17.215 7.998 1.00 0.00 O ATOM 1033 CB PRO A 66 -12.951 15.816 5.451 1.00 0.00 C ATOM 1034 CG PRO A 66 -14.335 15.251 5.729 1.00 0.00 C ATOM 1035 CD PRO A 66 -14.201 14.210 6.828 1.00 0.00 C ATOM 0 HA PRO A 66 -11.085 15.088 6.263 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -12.980 16.903 5.379 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -12.560 15.444 4.504 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -15.017 16.044 6.036 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -14.753 14.803 4.827 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -14.855 14.437 7.670 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -14.475 13.218 6.469 1.00 0.00 H new ATOM 1043 N THR A 67 -10.577 16.579 8.062 1.00 0.00 N ATOM 1044 CA THR A 67 -10.193 17.590 9.032 1.00 0.00 C ATOM 1045 C THR A 67 -9.845 18.902 8.325 1.00 0.00 C ATOM 1046 O THR A 67 -9.925 18.992 7.100 1.00 0.00 O ATOM 1047 CB THR A 67 -9.044 17.029 9.871 1.00 0.00 C ATOM 1048 OG1 THR A 67 -7.928 17.045 8.986 1.00 0.00 O ATOM 1049 CG2 THR A 67 -9.233 15.548 10.206 1.00 0.00 C ATOM 0 H THR A 67 -9.817 15.971 7.756 1.00 0.00 H new ATOM 0 HA THR A 67 -11.018 17.827 9.703 1.00 0.00 H new ATOM 0 HB THR A 67 -8.955 17.602 10.794 1.00 0.00 H new ATOM 0 HG1 THR A 67 -7.138 16.698 9.450 1.00 0.00 H new ATOM 0 HG21 THR A 67 -8.390 15.199 10.803 1.00 0.00 H new ATOM 0 HG22 THR A 67 -10.156 15.418 10.771 1.00 0.00 H new ATOM 0 HG23 THR A 67 -9.288 14.970 9.283 1.00 0.00 H new ATOM 1057 N ILE A 68 -9.464 19.886 9.126 1.00 0.00 N ATOM 1058 CA ILE A 68 -9.103 21.188 8.593 1.00 0.00 C ATOM 1059 C ILE A 68 -7.843 21.052 7.736 1.00 0.00 C ATOM 1060 O ILE A 68 -6.840 20.497 8.183 1.00 0.00 O ATOM 1061 CB ILE A 68 -8.971 22.212 9.722 1.00 0.00 C ATOM 1062 CG1 ILE A 68 -10.341 22.566 10.304 1.00 0.00 C ATOM 1063 CG2 ILE A 68 -8.210 23.453 9.250 1.00 0.00 C ATOM 1064 CD1 ILE A 68 -10.563 21.867 11.647 1.00 0.00 C ATOM 0 H ILE A 68 -9.397 19.807 10.141 1.00 0.00 H new ATOM 0 HA ILE A 68 -9.892 21.565 7.943 1.00 0.00 H new ATOM 0 HB ILE A 68 -8.387 21.762 10.525 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -10.417 23.645 10.435 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -11.124 22.274 9.604 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -8.130 24.165 10.071 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -7.212 23.164 8.921 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -8.746 23.915 8.420 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -11.544 22.135 12.039 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -10.511 20.787 11.508 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -9.793 22.180 12.352 1.00 0.00 H new ATOM 1076 N GLY A 69 -7.935 21.566 6.518 1.00 0.00 N ATOM 1077 CA GLY A 69 -6.815 21.509 5.595 1.00 0.00 C ATOM 1078 C GLY A 69 -6.964 20.335 4.625 1.00 0.00 C ATOM 1079 O GLY A 69 -5.974 19.837 4.090 1.00 0.00 O ATOM 0 H GLY A 69 -8.768 22.024 6.149 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -6.752 22.442 5.035 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -5.884 21.409 6.153 1.00 0.00 H new ATOM 1083 N ALA A 70 -8.209 19.926 4.427 1.00 0.00 N ATOM 1084 CA ALA A 70 -8.500 18.820 3.531 1.00 0.00 C ATOM 1085 C ALA A 70 -8.907 19.371 2.163 1.00 0.00 C ATOM 1086 O ALA A 70 -9.261 20.542 2.042 1.00 0.00 O ATOM 1087 CB ALA A 70 -9.583 17.934 4.149 1.00 0.00 C ATOM 0 H ALA A 70 -9.028 20.341 4.872 1.00 0.00 H new ATOM 0 HA ALA A 70 -7.615 18.200 3.386 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -9.802 17.104 3.477 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -9.233 17.544 5.105 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -10.488 18.521 4.306 1.00 0.00 H new ATOM 1093 N PRO A 71 -8.840 18.477 1.140 1.00 0.00 N ATOM 1094 CA PRO A 71 -9.198 18.861 -0.214 1.00 0.00 C ATOM 1095 C PRO A 71 -10.716 18.978 -0.369 1.00 0.00 C ATOM 1096 O PRO A 71 -11.450 18.048 -0.038 1.00 0.00 O ATOM 1097 CB PRO A 71 -8.591 17.786 -1.102 1.00 0.00 C ATOM 1098 CG PRO A 71 -8.318 16.600 -0.191 1.00 0.00 C ATOM 1099 CD PRO A 71 -8.425 17.081 1.246 1.00 0.00 C ATOM 0 HA PRO A 71 -8.817 19.845 -0.486 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -9.274 17.512 -1.906 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -7.672 18.139 -1.570 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -9.035 15.801 -0.380 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -7.326 16.191 -0.384 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -9.152 16.493 1.807 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -7.471 16.990 1.766 1.00 0.00 H new ATOM 1107 N LYS A 72 -11.141 20.128 -0.872 1.00 0.00 N ATOM 1108 CA LYS A 72 -12.558 20.378 -1.074 1.00 0.00 C ATOM 1109 C LYS A 72 -13.027 19.639 -2.329 1.00 0.00 C ATOM 1110 O LYS A 72 -13.565 20.252 -3.250 1.00 0.00 O ATOM 1111 CB LYS A 72 -12.837 21.882 -1.105 1.00 0.00 C ATOM 1112 CG LYS A 72 -12.596 22.512 0.268 1.00 0.00 C ATOM 1113 CD LYS A 72 -11.159 23.022 0.393 1.00 0.00 C ATOM 1114 CE LYS A 72 -10.999 23.917 1.624 1.00 0.00 C ATOM 1115 NZ LYS A 72 -11.432 25.299 1.319 1.00 0.00 N ATOM 0 H LYS A 72 -10.529 20.897 -1.146 1.00 0.00 H new ATOM 0 HA LYS A 72 -13.138 19.987 -0.238 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -12.196 22.359 -1.846 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -13.867 22.058 -1.414 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -13.293 23.336 0.421 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -12.794 21.778 1.049 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -10.474 22.177 0.462 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -10.888 23.579 -0.504 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -11.589 23.519 2.450 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -9.958 23.919 1.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -11.317 25.893 2.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -10.852 25.682 0.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -12.432 25.294 1.032 1.00 0.00 H new ATOM 1129 N THR A 73 -12.808 18.332 -2.324 1.00 0.00 N ATOM 1130 CA THR A 73 -13.202 17.503 -3.451 1.00 0.00 C ATOM 1131 C THR A 73 -13.778 16.174 -2.959 1.00 0.00 C ATOM 1132 O THR A 73 -14.922 15.839 -3.261 1.00 0.00 O ATOM 1133 CB THR A 73 -11.986 17.338 -4.365 1.00 0.00 C ATOM 1134 OG1 THR A 73 -10.920 17.028 -3.471 1.00 0.00 O ATOM 1135 CG2 THR A 73 -11.557 18.656 -5.013 1.00 0.00 C ATOM 0 H THR A 73 -12.363 17.827 -1.558 1.00 0.00 H new ATOM 0 HA THR A 73 -13.998 17.972 -4.028 1.00 0.00 H new ATOM 0 HB THR A 73 -12.213 16.608 -5.142 1.00 0.00 H new ATOM 0 HG1 THR A 73 -10.092 16.903 -3.980 1.00 0.00 H new ATOM 0 HG21 THR A 73 -10.690 18.483 -5.651 1.00 0.00 H new ATOM 0 HG22 THR A 73 -12.377 19.050 -5.614 1.00 0.00 H new ATOM 0 HG23 THR A 73 -11.298 19.376 -4.237 1.00 0.00 H new ATOM 1143 N VAL A 74 -12.958 15.452 -2.209 1.00 0.00 N ATOM 1144 CA VAL A 74 -13.371 14.167 -1.673 1.00 0.00 C ATOM 1145 C VAL A 74 -14.322 14.392 -0.496 1.00 0.00 C ATOM 1146 O VAL A 74 -14.323 15.462 0.111 1.00 0.00 O ATOM 1147 CB VAL A 74 -12.142 13.336 -1.297 1.00 0.00 C ATOM 1148 CG1 VAL A 74 -11.318 14.036 -0.215 1.00 0.00 C ATOM 1149 CG2 VAL A 74 -12.545 11.929 -0.855 1.00 0.00 C ATOM 0 H VAL A 74 -12.010 15.733 -1.960 1.00 0.00 H new ATOM 0 HA VAL A 74 -13.914 13.597 -2.426 1.00 0.00 H new ATOM 0 HB VAL A 74 -11.517 13.241 -2.185 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -10.451 13.425 0.034 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -10.985 15.007 -0.582 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -11.931 14.176 0.675 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -11.653 11.360 -0.594 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -13.201 11.994 0.013 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -13.069 11.428 -1.669 1.00 0.00 H new ATOM 1159 N ASP A 75 -15.110 13.366 -0.208 1.00 0.00 N ATOM 1160 CA ASP A 75 -16.064 13.439 0.885 1.00 0.00 C ATOM 1161 C ASP A 75 -15.453 12.798 2.133 1.00 0.00 C ATOM 1162 O ASP A 75 -14.309 12.346 2.106 1.00 0.00 O ATOM 1163 CB ASP A 75 -17.350 12.681 0.546 1.00 0.00 C ATOM 1164 CG ASP A 75 -18.645 13.407 0.917 1.00 0.00 C ATOM 1165 OD1 ASP A 75 -18.564 14.307 1.781 1.00 0.00 O ATOM 1166 OD2 ASP A 75 -19.686 13.046 0.327 1.00 0.00 O ATOM 0 H ASP A 75 -15.107 12.480 -0.713 1.00 0.00 H new ATOM 0 HA ASP A 75 -16.299 14.489 1.057 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -17.361 12.474 -0.524 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -17.332 11.718 1.057 1.00 0.00 H new ATOM 1171 N GLU A 76 -16.243 12.779 3.197 1.00 0.00 N ATOM 1172 CA GLU A 76 -15.794 12.201 4.452 1.00 0.00 C ATOM 1173 C GLU A 76 -15.789 10.674 4.362 1.00 0.00 C ATOM 1174 O GLU A 76 -14.979 10.013 5.009 1.00 0.00 O ATOM 1175 CB GLU A 76 -16.663 12.679 5.617 1.00 0.00 C ATOM 1176 CG GLU A 76 -18.124 12.275 5.413 1.00 0.00 C ATOM 1177 CD GLU A 76 -18.991 13.496 5.095 1.00 0.00 C ATOM 1178 OE1 GLU A 76 -18.763 14.539 5.745 1.00 0.00 O ATOM 1179 OE2 GLU A 76 -19.862 13.358 4.209 1.00 0.00 O ATOM 0 H GLU A 76 -17.191 13.155 3.215 1.00 0.00 H new ATOM 0 HA GLU A 76 -14.774 12.537 4.640 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -16.292 12.255 6.550 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -16.591 13.763 5.708 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -18.195 11.552 4.600 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -18.498 11.783 6.311 1.00 0.00 H new ATOM 1186 N LYS A 77 -16.703 10.158 3.553 1.00 0.00 N ATOM 1187 CA LYS A 77 -16.814 8.721 3.369 1.00 0.00 C ATOM 1188 C LYS A 77 -15.781 8.262 2.338 1.00 0.00 C ATOM 1189 O LYS A 77 -16.124 7.584 1.370 1.00 0.00 O ATOM 1190 CB LYS A 77 -18.251 8.336 3.014 1.00 0.00 C ATOM 1191 CG LYS A 77 -19.228 8.803 4.095 1.00 0.00 C ATOM 1192 CD LYS A 77 -20.650 8.326 3.793 1.00 0.00 C ATOM 1193 CE LYS A 77 -21.600 9.513 3.617 1.00 0.00 C ATOM 1194 NZ LYS A 77 -21.884 10.148 4.923 1.00 0.00 N ATOM 0 H LYS A 77 -17.373 10.710 3.018 1.00 0.00 H new ATOM 0 HA LYS A 77 -16.590 8.199 4.299 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -18.524 8.779 2.056 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -18.323 7.255 2.897 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -18.911 8.421 5.066 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -19.212 9.891 4.159 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -20.649 7.719 2.888 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -21.004 7.689 4.604 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -21.157 10.243 2.940 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -22.530 9.177 3.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -22.530 10.951 4.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -22.326 9.453 5.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -20.996 10.486 5.345 1.00 0.00 H new ATOM 1208 N ALA A 78 -14.537 8.649 2.580 1.00 0.00 N ATOM 1209 CA ALA A 78 -13.453 8.285 1.685 1.00 0.00 C ATOM 1210 C ALA A 78 -12.137 8.264 2.466 1.00 0.00 C ATOM 1211 O ALA A 78 -11.354 7.323 2.344 1.00 0.00 O ATOM 1212 CB ALA A 78 -13.415 9.260 0.506 1.00 0.00 C ATOM 0 H ALA A 78 -14.256 9.211 3.383 1.00 0.00 H new ATOM 0 HA ALA A 78 -13.611 7.286 1.278 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -12.601 8.987 -0.166 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -14.361 9.216 -0.033 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -13.255 10.273 0.876 1.00 0.00 H new ATOM 1218 N PHE A 79 -11.936 9.311 3.252 1.00 0.00 N ATOM 1219 CA PHE A 79 -10.729 9.424 4.053 1.00 0.00 C ATOM 1220 C PHE A 79 -10.531 8.183 4.925 1.00 0.00 C ATOM 1221 O PHE A 79 -11.457 7.743 5.604 1.00 0.00 O ATOM 1222 CB PHE A 79 -10.906 10.645 4.958 1.00 0.00 C ATOM 1223 CG PHE A 79 -10.877 11.981 4.214 1.00 0.00 C ATOM 1224 CD1 PHE A 79 -12.021 12.490 3.684 1.00 0.00 C ATOM 1225 CD2 PHE A 79 -9.706 12.660 4.081 1.00 0.00 C ATOM 1226 CE1 PHE A 79 -11.994 13.730 2.993 1.00 0.00 C ATOM 1227 CE2 PHE A 79 -9.678 13.900 3.390 1.00 0.00 C ATOM 1228 CZ PHE A 79 -10.823 14.409 2.860 1.00 0.00 C ATOM 0 H PHE A 79 -12.588 10.089 3.351 1.00 0.00 H new ATOM 0 HA PHE A 79 -9.859 9.521 3.403 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -11.854 10.557 5.488 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -10.118 10.643 5.711 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -12.951 11.951 3.789 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -8.797 12.256 4.501 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -12.903 14.134 2.573 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -8.748 14.439 3.285 1.00 0.00 H new ATOM 0 HZ PHE A 79 -10.802 15.352 2.334 1.00 0.00 H new ATOM 1238 N PHE A 80 -9.318 7.653 4.877 1.00 0.00 N ATOM 1239 CA PHE A 80 -8.986 6.470 5.654 1.00 0.00 C ATOM 1240 C PHE A 80 -7.574 6.573 6.233 1.00 0.00 C ATOM 1241 O PHE A 80 -6.626 6.886 5.515 1.00 0.00 O ATOM 1242 CB PHE A 80 -9.048 5.276 4.699 1.00 0.00 C ATOM 1243 CG PHE A 80 -7.990 5.307 3.595 1.00 0.00 C ATOM 1244 CD1 PHE A 80 -8.114 6.180 2.559 1.00 0.00 C ATOM 1245 CD2 PHE A 80 -6.926 4.462 3.648 1.00 0.00 C ATOM 1246 CE1 PHE A 80 -7.132 6.209 1.534 1.00 0.00 C ATOM 1247 CE2 PHE A 80 -5.944 4.491 2.623 1.00 0.00 C ATOM 1248 CZ PHE A 80 -6.068 5.364 1.587 1.00 0.00 C ATOM 0 H PHE A 80 -8.552 8.021 4.312 1.00 0.00 H new ATOM 0 HA PHE A 80 -9.683 6.363 6.485 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -8.931 4.357 5.274 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -10.036 5.242 4.240 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -8.959 6.851 2.516 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -6.828 3.769 4.470 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -7.230 6.902 0.712 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -5.099 3.820 2.666 1.00 0.00 H new ATOM 0 HZ PHE A 80 -5.322 5.386 0.807 1.00 0.00 H new ATOM 1258 N ASP A 81 -7.478 6.302 7.526 1.00 0.00 N ATOM 1259 CA ASP A 81 -6.198 6.359 8.210 1.00 0.00 C ATOM 1260 C ASP A 81 -5.555 4.971 8.198 1.00 0.00 C ATOM 1261 O ASP A 81 -6.210 3.977 8.507 1.00 0.00 O ATOM 1262 CB ASP A 81 -6.371 6.787 9.669 1.00 0.00 C ATOM 1263 CG ASP A 81 -5.660 8.088 10.050 1.00 0.00 C ATOM 1264 OD1 ASP A 81 -5.596 8.977 9.174 1.00 0.00 O ATOM 1265 OD2 ASP A 81 -5.198 8.163 11.209 1.00 0.00 O ATOM 0 H ASP A 81 -8.267 6.042 8.118 1.00 0.00 H new ATOM 0 HA ASP A 81 -5.572 7.086 7.693 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -7.435 6.898 9.876 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -6.003 5.988 10.312 1.00 0.00 H new ATOM 1270 N VAL A 82 -4.280 4.948 7.838 1.00 0.00 N ATOM 1271 CA VAL A 82 -3.541 3.698 7.782 1.00 0.00 C ATOM 1272 C VAL A 82 -2.614 3.603 8.995 1.00 0.00 C ATOM 1273 O VAL A 82 -1.662 4.372 9.115 1.00 0.00 O ATOM 1274 CB VAL A 82 -2.795 3.590 6.450 1.00 0.00 C ATOM 1275 CG1 VAL A 82 -1.721 2.502 6.509 1.00 0.00 C ATOM 1276 CG2 VAL A 82 -3.767 3.339 5.296 1.00 0.00 C ATOM 0 H VAL A 82 -3.740 5.775 7.582 1.00 0.00 H new ATOM 0 HA VAL A 82 -4.223 2.849 7.827 1.00 0.00 H new ATOM 0 HB VAL A 82 -2.297 4.542 6.267 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -1.206 2.446 5.550 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -1.003 2.742 7.293 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -2.188 1.541 6.726 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -3.211 3.266 4.361 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -4.306 2.408 5.471 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -4.477 4.163 5.233 1.00 0.00 H new ATOM 1286 N LYS A 83 -2.925 2.652 9.864 1.00 0.00 N ATOM 1287 CA LYS A 83 -2.132 2.447 11.064 1.00 0.00 C ATOM 1288 C LYS A 83 -1.021 1.437 10.769 1.00 0.00 C ATOM 1289 O LYS A 83 -1.293 0.322 10.325 1.00 0.00 O ATOM 1290 CB LYS A 83 -3.030 2.049 12.238 1.00 0.00 C ATOM 1291 CG LYS A 83 -3.904 3.223 12.683 1.00 0.00 C ATOM 1292 CD LYS A 83 -4.360 3.048 14.133 1.00 0.00 C ATOM 1293 CE LYS A 83 -5.316 4.169 14.545 1.00 0.00 C ATOM 1294 NZ LYS A 83 -5.258 4.388 16.008 1.00 0.00 N ATOM 0 H LYS A 83 -3.715 2.015 9.761 1.00 0.00 H new ATOM 0 HA LYS A 83 -1.647 3.376 11.364 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -3.662 1.210 11.948 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -2.415 1.712 13.073 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -3.347 4.154 12.583 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -4.774 3.301 12.031 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -4.854 2.083 14.249 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -3.493 3.044 14.793 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -5.054 5.089 14.023 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -6.334 3.914 14.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -5.913 5.152 16.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -5.530 3.514 16.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -4.290 4.652 16.281 1.00 0.00 H new ATOM 1308 N THR A 84 0.206 1.863 11.029 1.00 0.00 N ATOM 1309 CA THR A 84 1.359 1.010 10.797 1.00 0.00 C ATOM 1310 C THR A 84 2.241 0.954 12.045 1.00 0.00 C ATOM 1311 O THR A 84 1.863 1.461 13.100 1.00 0.00 O ATOM 1312 CB THR A 84 2.091 1.531 9.558 1.00 0.00 C ATOM 1313 OG1 THR A 84 2.221 2.930 9.795 1.00 0.00 O ATOM 1314 CG2 THR A 84 1.236 1.444 8.293 1.00 0.00 C ATOM 0 H THR A 84 0.427 2.788 11.398 1.00 0.00 H new ATOM 0 HA THR A 84 1.057 -0.020 10.605 1.00 0.00 H new ATOM 0 HB THR A 84 3.010 0.963 9.414 1.00 0.00 H new ATOM 0 HG1 THR A 84 2.458 3.383 8.959 1.00 0.00 H new ATOM 0 HG21 THR A 84 1.803 1.826 7.444 1.00 0.00 H new ATOM 0 HG22 THR A 84 0.963 0.405 8.109 1.00 0.00 H new ATOM 0 HG23 THR A 84 0.332 2.039 8.423 1.00 0.00 H new ATOM 1322 N THR A 85 3.401 0.334 11.885 1.00 0.00 N ATOM 1323 CA THR A 85 4.340 0.205 12.986 1.00 0.00 C ATOM 1324 C THR A 85 5.013 1.549 13.272 1.00 0.00 C ATOM 1325 O THR A 85 4.923 2.068 14.383 1.00 0.00 O ATOM 1326 CB THR A 85 5.329 -0.908 12.636 1.00 0.00 C ATOM 1327 OG1 THR A 85 5.829 -0.539 11.354 1.00 0.00 O ATOM 1328 CG2 THR A 85 4.638 -2.252 12.394 1.00 0.00 C ATOM 0 H THR A 85 3.712 -0.085 11.008 1.00 0.00 H new ATOM 0 HA THR A 85 3.832 -0.072 13.910 1.00 0.00 H new ATOM 0 HB THR A 85 6.055 -1.014 13.442 1.00 0.00 H new ATOM 0 HG1 THR A 85 6.479 -1.207 11.052 1.00 0.00 H new ATOM 0 HG21 THR A 85 5.386 -3.007 12.149 1.00 0.00 H new ATOM 0 HG22 THR A 85 4.101 -2.552 13.294 1.00 0.00 H new ATOM 0 HG23 THR A 85 3.935 -2.156 11.566 1.00 0.00 H new ATOM 1336 N ARG A 86 5.674 2.073 12.250 1.00 0.00 N ATOM 1337 CA ARG A 86 6.362 3.346 12.377 1.00 0.00 C ATOM 1338 C ARG A 86 5.450 4.378 13.042 1.00 0.00 C ATOM 1339 O ARG A 86 5.698 4.795 14.173 1.00 0.00 O ATOM 1340 CB ARG A 86 6.805 3.872 11.011 1.00 0.00 C ATOM 1341 CG ARG A 86 8.326 4.023 10.948 1.00 0.00 C ATOM 1342 CD ARG A 86 8.719 5.343 10.281 1.00 0.00 C ATOM 1343 NE ARG A 86 10.060 5.765 10.744 1.00 0.00 N ATOM 1344 CZ ARG A 86 11.197 5.131 10.430 1.00 0.00 C ATOM 1345 NH1 ARG A 86 11.164 4.041 9.651 1.00 0.00 N ATOM 1346 NH2 ARG A 86 12.369 5.585 10.896 1.00 0.00 N ATOM 0 H ARG A 86 5.747 1.639 11.330 1.00 0.00 H new ATOM 0 HA ARG A 86 7.245 3.185 12.995 1.00 0.00 H new ATOM 0 HB2 ARG A 86 6.471 3.190 10.229 1.00 0.00 H new ATOM 0 HB3 ARG A 86 6.332 4.835 10.817 1.00 0.00 H new ATOM 0 HG2 ARG A 86 8.741 3.983 11.955 1.00 0.00 H new ATOM 0 HG3 ARG A 86 8.755 3.189 10.393 1.00 0.00 H new ATOM 0 HD2 ARG A 86 8.720 5.226 9.197 1.00 0.00 H new ATOM 0 HD3 ARG A 86 7.985 6.113 10.518 1.00 0.00 H new ATOM 0 HE ARG A 86 10.122 6.591 11.340 1.00 0.00 H new ATOM 0 HH11 ARG A 86 10.273 3.694 9.297 1.00 0.00 H new ATOM 0 HH12 ARG A 86 12.030 3.558 9.412 1.00 0.00 H new ATOM 0 HH21 ARG A 86 12.395 6.414 11.490 1.00 0.00 H new ATOM 0 HH22 ARG A 86 13.235 5.102 10.657 1.00 0.00 H new ATOM 1360 N ARG A 87 4.413 4.762 12.312 1.00 0.00 N ATOM 1361 CA ARG A 87 3.462 5.738 12.817 1.00 0.00 C ATOM 1362 C ARG A 87 2.173 5.699 11.994 1.00 0.00 C ATOM 1363 O ARG A 87 2.098 4.998 10.986 1.00 0.00 O ATOM 1364 CB ARG A 87 4.046 7.152 12.770 1.00 0.00 C ATOM 1365 CG ARG A 87 4.266 7.606 11.325 1.00 0.00 C ATOM 1366 CD ARG A 87 5.486 8.523 11.218 1.00 0.00 C ATOM 1367 NE ARG A 87 5.322 9.452 10.078 1.00 0.00 N ATOM 1368 CZ ARG A 87 5.995 10.603 9.944 1.00 0.00 C ATOM 1369 NH1 ARG A 87 6.880 10.974 10.879 1.00 0.00 N ATOM 1370 NH2 ARG A 87 5.782 11.383 8.875 1.00 0.00 N ATOM 0 H ARG A 87 4.210 4.415 11.375 1.00 0.00 H new ATOM 0 HA ARG A 87 3.243 5.481 13.854 1.00 0.00 H new ATOM 0 HB2 ARG A 87 3.372 7.845 13.274 1.00 0.00 H new ATOM 0 HB3 ARG A 87 4.992 7.177 13.311 1.00 0.00 H new ATOM 0 HG2 ARG A 87 4.404 6.736 10.684 1.00 0.00 H new ATOM 0 HG3 ARG A 87 3.380 8.130 10.966 1.00 0.00 H new ATOM 0 HD2 ARG A 87 5.610 9.087 12.143 1.00 0.00 H new ATOM 0 HD3 ARG A 87 6.389 7.927 11.085 1.00 0.00 H new ATOM 0 HE ARG A 87 4.655 9.201 9.349 1.00 0.00 H new ATOM 0 HH11 ARG A 87 7.041 10.380 11.693 1.00 0.00 H new ATOM 0 HH12 ARG A 87 7.392 11.850 10.777 1.00 0.00 H new ATOM 0 HH21 ARG A 87 5.108 11.100 8.164 1.00 0.00 H new ATOM 0 HH22 ARG A 87 6.294 12.259 8.773 1.00 0.00 H new ATOM 1384 N VAL A 88 1.191 6.459 12.456 1.00 0.00 N ATOM 1385 CA VAL A 88 -0.091 6.519 11.775 1.00 0.00 C ATOM 1386 C VAL A 88 0.012 7.476 10.586 1.00 0.00 C ATOM 1387 O VAL A 88 0.718 8.482 10.653 1.00 0.00 O ATOM 1388 CB VAL A 88 -1.191 6.911 12.764 1.00 0.00 C ATOM 1389 CG1 VAL A 88 -2.369 7.567 12.042 1.00 0.00 C ATOM 1390 CG2 VAL A 88 -1.652 5.702 13.579 1.00 0.00 C ATOM 0 H VAL A 88 1.257 7.038 13.293 1.00 0.00 H new ATOM 0 HA VAL A 88 -0.360 5.539 11.381 1.00 0.00 H new ATOM 0 HB VAL A 88 -0.774 7.642 13.457 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -3.137 7.836 12.768 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -2.026 8.465 11.527 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -2.785 6.869 11.316 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -2.434 6.008 14.274 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -2.043 4.938 12.907 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -0.808 5.297 14.138 1.00 0.00 H new ATOM 1400 N TYR A 89 -0.701 7.130 9.524 1.00 0.00 N ATOM 1401 CA TYR A 89 -0.698 7.946 8.322 1.00 0.00 C ATOM 1402 C TYR A 89 -2.088 8.524 8.049 1.00 0.00 C ATOM 1403 O TYR A 89 -3.077 8.070 8.622 1.00 0.00 O ATOM 1404 CB TYR A 89 -0.316 7.007 7.176 1.00 0.00 C ATOM 1405 CG TYR A 89 1.071 6.378 7.324 1.00 0.00 C ATOM 1406 CD1 TYR A 89 2.128 7.138 7.783 1.00 0.00 C ATOM 1407 CD2 TYR A 89 1.266 5.051 6.998 1.00 0.00 C ATOM 1408 CE1 TYR A 89 3.434 6.546 7.922 1.00 0.00 C ATOM 1409 CE2 TYR A 89 2.571 4.460 7.137 1.00 0.00 C ATOM 1410 CZ TYR A 89 3.591 5.236 7.592 1.00 0.00 C ATOM 1411 OH TYR A 89 4.824 4.677 7.724 1.00 0.00 O ATOM 0 H TYR A 89 -1.285 6.295 9.471 1.00 0.00 H new ATOM 0 HA TYR A 89 -0.006 8.781 8.427 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -1.059 6.212 7.108 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -0.355 7.561 6.238 1.00 0.00 H new ATOM 0 HD1 TYR A 89 1.976 8.176 8.038 1.00 0.00 H new ATOM 0 HD2 TYR A 89 0.439 4.456 6.639 1.00 0.00 H new ATOM 0 HE1 TYR A 89 4.269 7.129 8.280 1.00 0.00 H new ATOM 0 HE2 TYR A 89 2.737 3.423 6.885 1.00 0.00 H new ATOM 0 HH TYR A 89 4.787 3.736 7.453 1.00 0.00 H new ATOM 1421 N ASN A 90 -2.119 9.517 7.172 1.00 0.00 N ATOM 1422 CA ASN A 90 -3.371 10.163 6.816 1.00 0.00 C ATOM 1423 C ASN A 90 -3.533 10.147 5.295 1.00 0.00 C ATOM 1424 O ASN A 90 -2.947 10.972 4.596 1.00 0.00 O ATOM 1425 CB ASN A 90 -3.390 11.621 7.279 1.00 0.00 C ATOM 1426 CG ASN A 90 -3.137 11.722 8.784 1.00 0.00 C ATOM 1427 OD1 ASN A 90 -2.130 12.243 9.237 1.00 0.00 O ATOM 1428 ND2 ASN A 90 -4.103 11.197 9.532 1.00 0.00 N ATOM 0 H ASN A 90 -1.297 9.890 6.697 1.00 0.00 H new ATOM 0 HA ASN A 90 -4.181 9.620 7.303 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -2.630 12.187 6.740 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -4.353 12.070 7.038 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -4.027 11.215 10.549 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -4.920 10.776 9.089 1.00 0.00 H new ATOM 1435 N PHE A 91 -4.332 9.199 4.826 1.00 0.00 N ATOM 1436 CA PHE A 91 -4.578 9.065 3.401 1.00 0.00 C ATOM 1437 C PHE A 91 -6.066 9.233 3.083 1.00 0.00 C ATOM 1438 O PHE A 91 -6.915 9.042 3.953 1.00 0.00 O ATOM 1439 CB PHE A 91 -4.139 7.655 3.001 1.00 0.00 C ATOM 1440 CG PHE A 91 -2.651 7.380 3.227 1.00 0.00 C ATOM 1441 CD1 PHE A 91 -1.717 8.059 2.508 1.00 0.00 C ATOM 1442 CD2 PHE A 91 -2.262 6.456 4.145 1.00 0.00 C ATOM 1443 CE1 PHE A 91 -0.336 7.803 2.717 1.00 0.00 C ATOM 1444 CE2 PHE A 91 -0.881 6.200 4.355 1.00 0.00 C ATOM 1445 CZ PHE A 91 0.053 6.879 3.636 1.00 0.00 C ATOM 0 H PHE A 91 -4.817 8.517 5.408 1.00 0.00 H new ATOM 0 HA PHE A 91 -4.028 9.832 2.855 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -4.722 6.929 3.568 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -4.371 7.498 1.948 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -2.026 8.793 1.778 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -3.004 5.916 4.715 1.00 0.00 H new ATOM 0 HE1 PHE A 91 0.406 8.342 2.146 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -0.572 5.467 5.085 1.00 0.00 H new ATOM 0 HZ PHE A 91 1.103 6.684 3.795 1.00 0.00 H new ATOM 1455 N CYS A 92 -6.336 9.587 1.836 1.00 0.00 N ATOM 1456 CA CYS A 92 -7.706 9.782 1.393 1.00 0.00 C ATOM 1457 C CYS A 92 -7.719 9.792 -0.137 1.00 0.00 C ATOM 1458 O CYS A 92 -6.850 10.395 -0.765 1.00 0.00 O ATOM 1459 CB CYS A 92 -8.313 11.059 1.977 1.00 0.00 C ATOM 1460 SG CYS A 92 -7.165 12.464 1.738 1.00 0.00 S ATOM 0 H CYS A 92 -5.629 9.744 1.118 1.00 0.00 H new ATOM 0 HA CYS A 92 -8.328 8.964 1.756 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -9.267 11.272 1.494 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -8.517 10.922 3.039 1.00 0.00 H new ATOM 0 HG CYS A 92 -6.497 12.670 2.834 1.00 0.00 H new ATOM 1466 N ALA A 93 -8.715 9.117 -0.693 1.00 0.00 N ATOM 1467 CA ALA A 93 -8.853 9.040 -2.137 1.00 0.00 C ATOM 1468 C ALA A 93 -9.500 10.328 -2.652 1.00 0.00 C ATOM 1469 O ALA A 93 -9.580 11.319 -1.929 1.00 0.00 O ATOM 1470 CB ALA A 93 -9.659 7.794 -2.507 1.00 0.00 C ATOM 0 H ALA A 93 -9.434 8.618 -0.169 1.00 0.00 H new ATOM 0 HA ALA A 93 -7.876 8.949 -2.612 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -9.763 7.736 -3.591 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -9.142 6.905 -2.144 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -10.647 7.851 -2.051 1.00 0.00 H new ATOM 1476 N GLN A 94 -9.945 10.270 -3.899 1.00 0.00 N ATOM 1477 CA GLN A 94 -10.583 11.419 -4.519 1.00 0.00 C ATOM 1478 C GLN A 94 -12.099 11.219 -4.576 1.00 0.00 C ATOM 1479 O GLN A 94 -12.848 12.176 -4.760 1.00 0.00 O ATOM 1480 CB GLN A 94 -10.011 11.676 -5.915 1.00 0.00 C ATOM 1481 CG GLN A 94 -8.961 12.788 -5.880 1.00 0.00 C ATOM 1482 CD GLN A 94 -9.304 13.898 -6.877 1.00 0.00 C ATOM 1483 OE1 GLN A 94 -8.773 13.969 -7.973 1.00 0.00 O ATOM 1484 NE2 GLN A 94 -10.218 14.757 -6.436 1.00 0.00 N ATOM 0 H GLN A 94 -9.876 9.446 -4.496 1.00 0.00 H new ATOM 0 HA GLN A 94 -10.375 12.298 -3.909 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -9.564 10.761 -6.303 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -10.816 11.952 -6.597 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -8.900 13.204 -4.874 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -7.980 12.374 -6.114 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -10.623 14.639 -5.507 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -10.515 15.534 -7.027 1.00 0.00 H new ATOM 1493 N ASP A 95 -12.504 9.968 -4.414 1.00 0.00 N ATOM 1494 CA ASP A 95 -13.917 9.630 -4.445 1.00 0.00 C ATOM 1495 C ASP A 95 -14.266 8.802 -3.207 1.00 0.00 C ATOM 1496 O ASP A 95 -13.382 8.236 -2.565 1.00 0.00 O ATOM 1497 CB ASP A 95 -14.257 8.796 -5.682 1.00 0.00 C ATOM 1498 CG ASP A 95 -15.545 9.202 -6.401 1.00 0.00 C ATOM 1499 OD1 ASP A 95 -15.891 10.400 -6.314 1.00 0.00 O ATOM 1500 OD2 ASP A 95 -16.156 8.304 -7.021 1.00 0.00 O ATOM 0 H ASP A 95 -11.879 9.177 -4.261 1.00 0.00 H new ATOM 0 HA ASP A 95 -14.485 10.560 -4.469 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -13.428 8.864 -6.387 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -14.338 7.750 -5.386 1.00 0.00 H new ATOM 1505 N VAL A 96 -15.556 8.757 -2.908 1.00 0.00 N ATOM 1506 CA VAL A 96 -16.033 8.007 -1.758 1.00 0.00 C ATOM 1507 C VAL A 96 -15.902 6.509 -2.041 1.00 0.00 C ATOM 1508 O VAL A 96 -15.413 5.756 -1.202 1.00 0.00 O ATOM 1509 CB VAL A 96 -17.463 8.429 -1.415 1.00 0.00 C ATOM 1510 CG1 VAL A 96 -18.274 7.241 -0.894 1.00 0.00 C ATOM 1511 CG2 VAL A 96 -17.468 9.580 -0.408 1.00 0.00 C ATOM 0 H VAL A 96 -16.286 9.228 -3.442 1.00 0.00 H new ATOM 0 HA VAL A 96 -15.425 8.225 -0.880 1.00 0.00 H new ATOM 0 HB VAL A 96 -17.937 8.783 -2.330 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -19.287 7.568 -0.657 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -18.312 6.464 -1.657 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -17.802 6.844 0.005 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -18.497 9.861 -0.181 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -16.968 9.265 0.508 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -16.943 10.436 -0.832 1.00 0.00 H new ATOM 1521 N PRO A 97 -16.361 6.113 -3.259 1.00 0.00 N ATOM 1522 CA PRO A 97 -16.300 4.718 -3.663 1.00 0.00 C ATOM 1523 C PRO A 97 -14.871 4.316 -4.032 1.00 0.00 C ATOM 1524 O PRO A 97 -14.553 3.129 -4.096 1.00 0.00 O ATOM 1525 CB PRO A 97 -17.269 4.605 -4.829 1.00 0.00 C ATOM 1526 CG PRO A 97 -17.484 6.023 -5.332 1.00 0.00 C ATOM 1527 CD PRO A 97 -16.947 6.977 -4.278 1.00 0.00 C ATOM 0 HA PRO A 97 -16.580 4.035 -2.861 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -16.861 3.969 -5.615 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -18.210 4.156 -4.512 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -16.969 6.174 -6.281 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -18.543 6.208 -5.511 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -16.203 7.654 -4.699 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -17.742 7.596 -3.863 1.00 0.00 H new ATOM 1535 N SER A 98 -14.047 5.327 -4.264 1.00 0.00 N ATOM 1536 CA SER A 98 -12.659 5.093 -4.625 1.00 0.00 C ATOM 1537 C SER A 98 -11.843 4.759 -3.375 1.00 0.00 C ATOM 1538 O SER A 98 -10.947 3.917 -3.421 1.00 0.00 O ATOM 1539 CB SER A 98 -12.063 6.309 -5.338 1.00 0.00 C ATOM 1540 OG SER A 98 -12.355 6.305 -6.733 1.00 0.00 O ATOM 0 H SER A 98 -14.314 6.310 -4.209 1.00 0.00 H new ATOM 0 HA SER A 98 -12.622 4.248 -5.312 1.00 0.00 H new ATOM 0 HB2 SER A 98 -12.455 7.221 -4.888 1.00 0.00 H new ATOM 0 HB3 SER A 98 -10.983 6.321 -5.194 1.00 0.00 H new ATOM 0 HG SER A 98 -11.959 7.097 -7.152 1.00 0.00 H new ATOM 1546 N ALA A 99 -12.182 5.435 -2.287 1.00 0.00 N ATOM 1547 CA ALA A 99 -11.491 5.220 -1.027 1.00 0.00 C ATOM 1548 C ALA A 99 -11.784 3.805 -0.525 1.00 0.00 C ATOM 1549 O ALA A 99 -10.864 3.055 -0.201 1.00 0.00 O ATOM 1550 CB ALA A 99 -11.915 6.294 -0.023 1.00 0.00 C ATOM 0 H ALA A 99 -12.926 6.132 -2.252 1.00 0.00 H new ATOM 0 HA ALA A 99 -10.413 5.306 -1.161 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -11.397 6.133 0.922 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -11.659 7.279 -0.414 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -12.991 6.236 0.139 1.00 0.00 H new ATOM 1556 N GLN A 100 -13.068 3.482 -0.477 1.00 0.00 N ATOM 1557 CA GLN A 100 -13.493 2.170 -0.020 1.00 0.00 C ATOM 1558 C GLN A 100 -12.657 1.078 -0.691 1.00 0.00 C ATOM 1559 O GLN A 100 -12.251 0.115 -0.041 1.00 0.00 O ATOM 1560 CB GLN A 100 -14.985 1.955 -0.281 1.00 0.00 C ATOM 1561 CG GLN A 100 -15.829 2.973 0.490 1.00 0.00 C ATOM 1562 CD GLN A 100 -16.043 2.524 1.936 1.00 0.00 C ATOM 1563 OE1 GLN A 100 -15.489 1.539 2.397 1.00 0.00 O ATOM 1564 NE2 GLN A 100 -16.876 3.299 2.625 1.00 0.00 N ATOM 0 H GLN A 100 -13.828 4.106 -0.747 1.00 0.00 H new ATOM 0 HA GLN A 100 -13.334 2.113 1.057 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -15.188 2.043 -1.348 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -15.268 0.945 0.015 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -15.335 3.945 0.476 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -16.793 3.098 -0.002 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -17.306 4.109 2.179 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -17.085 3.083 3.600 1.00 0.00 H new ATOM 1573 N GLN A 101 -12.425 1.264 -1.982 1.00 0.00 N ATOM 1574 CA GLN A 101 -11.644 0.306 -2.747 1.00 0.00 C ATOM 1575 C GLN A 101 -10.209 0.251 -2.222 1.00 0.00 C ATOM 1576 O GLN A 101 -9.583 -0.808 -2.226 1.00 0.00 O ATOM 1577 CB GLN A 101 -11.670 0.646 -4.239 1.00 0.00 C ATOM 1578 CG GLN A 101 -13.039 0.339 -4.848 1.00 0.00 C ATOM 1579 CD GLN A 101 -12.918 0.032 -6.342 1.00 0.00 C ATOM 1580 OE1 GLN A 101 -12.313 0.766 -7.106 1.00 0.00 O ATOM 1581 NE2 GLN A 101 -13.526 -1.091 -6.714 1.00 0.00 N ATOM 0 H GLN A 101 -12.764 2.063 -2.518 1.00 0.00 H new ATOM 0 HA GLN A 101 -12.092 -0.680 -2.624 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -11.434 1.701 -4.379 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -10.901 0.075 -4.759 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -13.488 -0.511 -4.334 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -13.705 1.189 -4.701 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -14.015 -1.659 -6.022 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -13.503 -1.384 -7.691 1.00 0.00 H new ATOM 1590 N TRP A 102 -9.728 1.405 -1.781 1.00 0.00 N ATOM 1591 CA TRP A 102 -8.378 1.501 -1.254 1.00 0.00 C ATOM 1592 C TRP A 102 -8.331 0.729 0.067 1.00 0.00 C ATOM 1593 O TRP A 102 -7.557 -0.216 0.210 1.00 0.00 O ATOM 1594 CB TRP A 102 -7.949 2.962 -1.108 1.00 0.00 C ATOM 1595 CG TRP A 102 -7.330 3.558 -2.374 1.00 0.00 C ATOM 1596 CD1 TRP A 102 -7.902 4.382 -3.263 1.00 0.00 C ATOM 1597 CD2 TRP A 102 -5.988 3.341 -2.859 1.00 0.00 C ATOM 1598 NE1 TRP A 102 -7.031 4.711 -4.281 1.00 0.00 N ATOM 1599 CE2 TRP A 102 -5.830 4.058 -4.028 1.00 0.00 C ATOM 1600 CE3 TRP A 102 -4.943 2.566 -2.328 1.00 0.00 C ATOM 1601 CZ2 TRP A 102 -4.639 4.070 -4.764 1.00 0.00 C ATOM 1602 CZ3 TRP A 102 -3.760 2.589 -3.076 1.00 0.00 C ATOM 1603 CH2 TRP A 102 -3.584 3.305 -4.254 1.00 0.00 C ATOM 0 H TRP A 102 -10.250 2.281 -1.778 1.00 0.00 H new ATOM 0 HA TRP A 102 -7.662 1.055 -1.944 1.00 0.00 H new ATOM 0 HB2 TRP A 102 -8.816 3.558 -0.825 1.00 0.00 H new ATOM 0 HB3 TRP A 102 -7.229 3.039 -0.293 1.00 0.00 H new ATOM 0 HD1 TRP A 102 -8.917 4.743 -3.191 1.00 0.00 H new ATOM 0 HE1 TRP A 102 -7.231 5.321 -5.073 1.00 0.00 H new ATOM 0 HE3 TRP A 102 -5.045 1.998 -1.415 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 -4.540 4.639 -5.676 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 -2.925 2.009 -2.712 1.00 0.00 H new ATOM 0 HH2 TRP A 102 -2.638 3.271 -4.773 1.00 0.00 H new ATOM 1614 N VAL A 103 -9.168 1.162 0.998 1.00 0.00 N ATOM 1615 CA VAL A 103 -9.231 0.524 2.302 1.00 0.00 C ATOM 1616 C VAL A 103 -9.254 -0.995 2.121 1.00 0.00 C ATOM 1617 O VAL A 103 -8.381 -1.698 2.630 1.00 0.00 O ATOM 1618 CB VAL A 103 -10.435 1.051 3.085 1.00 0.00 C ATOM 1619 CG1 VAL A 103 -10.587 0.316 4.418 1.00 0.00 C ATOM 1620 CG2 VAL A 103 -10.330 2.562 3.301 1.00 0.00 C ATOM 0 H VAL A 103 -9.808 1.947 0.875 1.00 0.00 H new ATOM 0 HA VAL A 103 -8.346 0.768 2.890 1.00 0.00 H new ATOM 0 HB VAL A 103 -11.330 0.859 2.493 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -11.450 0.710 4.954 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -10.730 -0.748 4.232 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -9.689 0.462 5.018 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -11.198 2.911 3.860 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -9.423 2.787 3.862 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -10.294 3.066 2.335 1.00 0.00 H new ATOM 1630 N ASP A 104 -10.261 -1.458 1.395 1.00 0.00 N ATOM 1631 CA ASP A 104 -10.409 -2.880 1.140 1.00 0.00 C ATOM 1632 C ASP A 104 -9.070 -3.452 0.668 1.00 0.00 C ATOM 1633 O ASP A 104 -8.525 -4.362 1.290 1.00 0.00 O ATOM 1634 CB ASP A 104 -11.446 -3.139 0.046 1.00 0.00 C ATOM 1635 CG ASP A 104 -12.381 -4.321 0.308 1.00 0.00 C ATOM 1636 OD1 ASP A 104 -11.852 -5.396 0.666 1.00 0.00 O ATOM 1637 OD2 ASP A 104 -13.605 -4.123 0.145 1.00 0.00 O ATOM 0 H ASP A 104 -10.983 -0.872 0.975 1.00 0.00 H new ATOM 0 HA ASP A 104 -10.735 -3.356 2.065 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -12.049 -2.240 -0.082 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -10.924 -3.310 -0.895 1.00 0.00 H new ATOM 1642 N ARG A 105 -8.578 -2.893 -0.428 1.00 0.00 N ATOM 1643 CA ARG A 105 -7.314 -3.335 -0.991 1.00 0.00 C ATOM 1644 C ARG A 105 -6.274 -3.515 0.117 1.00 0.00 C ATOM 1645 O ARG A 105 -5.763 -4.615 0.321 1.00 0.00 O ATOM 1646 CB ARG A 105 -6.787 -2.331 -2.017 1.00 0.00 C ATOM 1647 CG ARG A 105 -7.200 -2.728 -3.436 1.00 0.00 C ATOM 1648 CD ARG A 105 -7.395 -1.493 -4.317 1.00 0.00 C ATOM 1649 NE ARG A 105 -7.927 -1.892 -5.639 1.00 0.00 N ATOM 1650 CZ ARG A 105 -9.216 -2.169 -5.877 1.00 0.00 C ATOM 1651 NH1 ARG A 105 -10.113 -2.091 -4.884 1.00 0.00 N ATOM 1652 NH2 ARG A 105 -9.609 -2.524 -7.108 1.00 0.00 N ATOM 0 H ARG A 105 -9.032 -2.138 -0.941 1.00 0.00 H new ATOM 0 HA ARG A 105 -7.488 -4.289 -1.489 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -7.170 -1.337 -1.788 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -5.700 -2.277 -1.953 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -6.438 -3.374 -3.873 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -8.125 -3.304 -3.402 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -8.081 -0.797 -3.835 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -6.446 -0.971 -4.440 1.00 0.00 H new ATOM 0 HE ARG A 105 -7.271 -1.960 -6.417 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -9.814 -1.821 -3.947 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -11.094 -2.302 -5.065 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -8.927 -2.583 -7.864 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -10.590 -2.735 -7.289 1.00 0.00 H new ATOM 1666 N ILE A 106 -5.991 -2.417 0.803 1.00 0.00 N ATOM 1667 CA ILE A 106 -5.021 -2.440 1.885 1.00 0.00 C ATOM 1668 C ILE A 106 -5.443 -3.485 2.920 1.00 0.00 C ATOM 1669 O ILE A 106 -4.660 -4.366 3.272 1.00 0.00 O ATOM 1670 CB ILE A 106 -4.835 -1.038 2.468 1.00 0.00 C ATOM 1671 CG1 ILE A 106 -4.276 -0.077 1.416 1.00 0.00 C ATOM 1672 CG2 ILE A 106 -3.967 -1.078 3.727 1.00 0.00 C ATOM 1673 CD1 ILE A 106 -4.901 1.313 1.556 1.00 0.00 C ATOM 0 H ILE A 106 -6.416 -1.506 0.631 1.00 0.00 H new ATOM 0 HA ILE A 106 -4.041 -2.737 1.512 1.00 0.00 H new ATOM 0 HB ILE A 106 -5.813 -0.658 2.764 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -3.194 -0.005 1.522 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -4.473 -0.470 0.418 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -3.851 -0.068 4.121 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -4.444 -1.708 4.478 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -2.987 -1.486 3.480 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -4.487 1.976 0.797 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -5.981 1.241 1.425 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -4.681 1.713 2.546 1.00 0.00 H new ATOM 1685 N GLN A 107 -6.678 -3.352 3.379 1.00 0.00 N ATOM 1686 CA GLN A 107 -7.213 -4.274 4.367 1.00 0.00 C ATOM 1687 C GLN A 107 -7.124 -5.712 3.854 1.00 0.00 C ATOM 1688 O GLN A 107 -7.215 -6.660 4.633 1.00 0.00 O ATOM 1689 CB GLN A 107 -8.653 -3.910 4.733 1.00 0.00 C ATOM 1690 CG GLN A 107 -8.705 -3.139 6.054 1.00 0.00 C ATOM 1691 CD GLN A 107 -9.149 -4.047 7.202 1.00 0.00 C ATOM 1692 OE1 GLN A 107 -9.166 -5.263 7.095 1.00 0.00 O ATOM 1693 NE2 GLN A 107 -9.507 -3.392 8.303 1.00 0.00 N ATOM 0 H GLN A 107 -7.324 -2.620 3.085 1.00 0.00 H new ATOM 0 HA GLN A 107 -6.612 -4.195 5.273 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -9.093 -3.307 3.938 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -9.252 -4.817 4.813 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -7.722 -2.722 6.275 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -9.394 -2.300 5.962 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -9.469 -2.373 8.325 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -9.819 -3.909 9.125 1.00 0.00 H new ATOM 1702 N SER A 108 -6.948 -5.830 2.546 1.00 0.00 N ATOM 1703 CA SER A 108 -6.846 -7.137 1.919 1.00 0.00 C ATOM 1704 C SER A 108 -5.436 -7.699 2.107 1.00 0.00 C ATOM 1705 O SER A 108 -5.169 -8.848 1.758 1.00 0.00 O ATOM 1706 CB SER A 108 -7.194 -7.063 0.431 1.00 0.00 C ATOM 1707 OG SER A 108 -7.858 -8.240 -0.021 1.00 0.00 O ATOM 0 H SER A 108 -6.873 -5.042 1.903 1.00 0.00 H new ATOM 0 HA SER A 108 -7.563 -7.803 2.399 1.00 0.00 H new ATOM 0 HB2 SER A 108 -7.829 -6.196 0.250 1.00 0.00 H new ATOM 0 HB3 SER A 108 -6.282 -6.916 -0.148 1.00 0.00 H new ATOM 0 HG SER A 108 -8.065 -8.153 -0.975 1.00 0.00 H new ATOM 1713 N CYS A 109 -4.569 -6.863 2.660 1.00 0.00 N ATOM 1714 CA CYS A 109 -3.192 -7.262 2.899 1.00 0.00 C ATOM 1715 C CYS A 109 -2.707 -6.572 4.176 1.00 0.00 C ATOM 1716 O CYS A 109 -1.803 -5.739 4.130 1.00 0.00 O ATOM 1717 CB CYS A 109 -2.295 -6.943 1.701 1.00 0.00 C ATOM 1718 SG CYS A 109 -1.449 -8.462 1.131 1.00 0.00 S ATOM 0 H CYS A 109 -4.793 -5.911 2.949 1.00 0.00 H new ATOM 0 HA CYS A 109 -3.141 -8.343 3.030 1.00 0.00 H new ATOM 0 HB2 CYS A 109 -2.892 -6.523 0.891 1.00 0.00 H new ATOM 0 HB3 CYS A 109 -1.558 -6.189 1.978 1.00 0.00 H new ATOM 0 HG CYS A 109 -1.233 -8.384 -0.149 1.00 0.00 H new