USER MOD reduce.3.24.130724 H: found=0, std=0, add=687, rem=0, adj=15 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 10 TYR OH : rot 58:sc= 0.0473 USER MOD Set 1.2: A 101 GLN : amide:sc= 0.0392 X(o=0.087,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 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.0266 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 HIS : no HD1:sc= -4.23! K(o=-4.2!,f=-2.8) USER MOD Single : A 37 GLN : amide:sc= -2.45 X(o=-2.5,f=-2.8!) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 TYR OH : rot 180:sc= -0.346 USER MOD Single : A 65 THR OG1 : rot 180:sc= -2.5! USER MOD Single : A 67 THR OG1 : rot -130:sc=-0.00412 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= -0.193 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 77:sc= 0.354 USER MOD Single : A 85 THR OG1 : rot 169:sc= 0.681 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 CYS SG : rot -156:sc= -1.18 USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 SER OG : rot 97:sc= 0.214 USER MOD Single : A 100 GLN : amide:sc= -0.403 K(o=-0.4,f=-1.4) USER MOD Single : A 107 GLN : amide:sc= -0.513 K(o=-0.51,f=-1.7!) USER MOD Single : A 108 SER OG : rot -33:sc= 0.0734 USER MOD Single : A 109 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 101 N TYR A 10 -2.139 -1.656 -8.604 1.00 0.00 N ATOM 102 CA TYR A 10 -3.238 -0.706 -8.573 1.00 0.00 C ATOM 103 C TYR A 10 -2.722 0.724 -8.398 1.00 0.00 C ATOM 104 O TYR A 10 -1.693 0.943 -7.760 1.00 0.00 O ATOM 105 CB TYR A 10 -4.087 -1.081 -7.357 1.00 0.00 C ATOM 106 CG TYR A 10 -5.475 -0.439 -7.345 1.00 0.00 C ATOM 107 CD1 TYR A 10 -6.408 -0.794 -8.299 1.00 0.00 C ATOM 108 CD2 TYR A 10 -5.796 0.495 -6.381 1.00 0.00 C ATOM 109 CE1 TYR A 10 -7.715 -0.190 -8.288 1.00 0.00 C ATOM 110 CE2 TYR A 10 -7.103 1.099 -6.370 1.00 0.00 C ATOM 111 CZ TYR A 10 -7.998 0.727 -7.324 1.00 0.00 C ATOM 112 OH TYR A 10 -9.232 1.298 -7.313 1.00 0.00 O ATOM 0 HA TYR A 10 -3.803 -0.743 -9.504 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -4.199 -2.165 -7.325 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -3.555 -0.789 -6.451 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -6.157 -1.525 -9.054 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -5.067 0.773 -5.635 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -8.454 -0.459 -9.028 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -7.367 1.831 -5.621 1.00 0.00 H new ATOM 0 HH TYR A 10 -9.915 0.600 -7.235 1.00 0.00 H new ATOM 122 N GLU A 11 -3.460 1.661 -8.976 1.00 0.00 N ATOM 123 CA GLU A 11 -3.089 3.063 -8.891 1.00 0.00 C ATOM 124 C GLU A 11 -4.328 3.925 -8.639 1.00 0.00 C ATOM 125 O GLU A 11 -5.455 3.465 -8.816 1.00 0.00 O ATOM 126 CB GLU A 11 -2.356 3.514 -10.156 1.00 0.00 C ATOM 127 CG GLU A 11 -3.163 3.171 -11.409 1.00 0.00 C ATOM 128 CD GLU A 11 -2.991 1.699 -11.788 1.00 0.00 C ATOM 129 OE1 GLU A 11 -2.024 1.412 -12.526 1.00 0.00 O ATOM 130 OE2 GLU A 11 -3.830 0.893 -11.329 1.00 0.00 O ATOM 0 H GLU A 11 -4.313 1.476 -9.505 1.00 0.00 H new ATOM 0 HA GLU A 11 -2.406 3.188 -8.051 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -2.181 4.589 -10.115 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -1.379 3.033 -10.205 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -4.218 3.384 -11.236 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -2.842 3.803 -12.237 1.00 0.00 H new ATOM 137 N GLY A 12 -4.078 5.160 -8.231 1.00 0.00 N ATOM 138 CA GLY A 12 -5.159 6.090 -7.953 1.00 0.00 C ATOM 139 C GLY A 12 -4.682 7.232 -7.053 1.00 0.00 C ATOM 140 O GLY A 12 -4.152 6.993 -5.969 1.00 0.00 O ATOM 0 H GLY A 12 -3.142 5.539 -8.086 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -5.544 6.496 -8.889 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -5.983 5.563 -7.472 1.00 0.00 H new ATOM 144 N ILE A 13 -4.887 8.449 -7.536 1.00 0.00 N ATOM 145 CA ILE A 13 -4.485 9.628 -6.789 1.00 0.00 C ATOM 146 C ILE A 13 -4.791 9.416 -5.305 1.00 0.00 C ATOM 147 O ILE A 13 -5.845 8.886 -4.955 1.00 0.00 O ATOM 148 CB ILE A 13 -5.134 10.882 -7.378 1.00 0.00 C ATOM 149 CG1 ILE A 13 -4.359 11.379 -8.600 1.00 0.00 C ATOM 150 CG2 ILE A 13 -5.286 11.972 -6.314 1.00 0.00 C ATOM 151 CD1 ILE A 13 -3.237 12.334 -8.187 1.00 0.00 C ATOM 0 H ILE A 13 -5.326 8.643 -8.436 1.00 0.00 H new ATOM 0 HA ILE A 13 -3.410 9.784 -6.873 1.00 0.00 H new ATOM 0 HB ILE A 13 -6.136 10.620 -7.717 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -3.939 10.530 -9.138 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -5.039 11.886 -9.285 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -5.750 12.852 -6.759 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -5.912 11.603 -5.502 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -4.304 12.238 -5.923 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -2.702 12.672 -9.074 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -3.663 13.194 -7.670 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -2.546 11.817 -7.522 1.00 0.00 H new ATOM 163 N LEU A 14 -3.852 9.841 -4.473 1.00 0.00 N ATOM 164 CA LEU A 14 -4.009 9.704 -3.035 1.00 0.00 C ATOM 165 C LEU A 14 -3.343 10.892 -2.338 1.00 0.00 C ATOM 166 O LEU A 14 -2.137 11.096 -2.466 1.00 0.00 O ATOM 167 CB LEU A 14 -3.485 8.345 -2.566 1.00 0.00 C ATOM 168 CG LEU A 14 -4.548 7.295 -2.235 1.00 0.00 C ATOM 169 CD1 LEU A 14 -3.902 5.976 -1.808 1.00 0.00 C ATOM 170 CD2 LEU A 14 -5.529 7.819 -1.184 1.00 0.00 C ATOM 0 H LEU A 14 -2.980 10.280 -4.767 1.00 0.00 H new ATOM 0 HA LEU A 14 -5.065 9.725 -2.764 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.833 7.942 -3.341 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.869 8.501 -1.681 1.00 0.00 H new ATOM 0 HG LEU A 14 -5.122 7.094 -3.140 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -4.680 5.248 -1.579 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.278 5.598 -2.618 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.287 6.142 -0.923 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.274 7.053 -0.967 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -4.987 8.066 -0.271 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -6.026 8.712 -1.564 1.00 0.00 H new ATOM 182 N TYR A 15 -4.158 11.647 -1.616 1.00 0.00 N ATOM 183 CA TYR A 15 -3.664 12.809 -0.899 1.00 0.00 C ATOM 184 C TYR A 15 -3.102 12.413 0.468 1.00 0.00 C ATOM 185 O TYR A 15 -3.321 11.295 0.933 1.00 0.00 O ATOM 186 CB TYR A 15 -4.873 13.724 -0.694 1.00 0.00 C ATOM 187 CG TYR A 15 -5.386 14.376 -1.979 1.00 0.00 C ATOM 188 CD1 TYR A 15 -6.014 13.608 -2.939 1.00 0.00 C ATOM 189 CD2 TYR A 15 -5.220 15.731 -2.179 1.00 0.00 C ATOM 190 CE1 TYR A 15 -6.496 14.222 -4.149 1.00 0.00 C ATOM 191 CE2 TYR A 15 -5.703 16.345 -3.389 1.00 0.00 C ATOM 192 CZ TYR A 15 -6.317 15.560 -4.315 1.00 0.00 C ATOM 193 OH TYR A 15 -6.773 16.139 -5.458 1.00 0.00 O ATOM 0 H TYR A 15 -5.158 11.476 -1.512 1.00 0.00 H new ATOM 0 HA TYR A 15 -2.863 13.293 -1.459 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -5.681 13.146 -0.245 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -4.607 14.506 0.017 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -6.144 12.547 -2.783 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -4.728 16.331 -1.428 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -6.989 13.633 -4.908 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -5.580 17.405 -3.557 1.00 0.00 H new ATOM 0 HH TYR A 15 -6.577 17.099 -5.439 1.00 0.00 H new ATOM 203 N LYS A 16 -2.387 13.350 1.073 1.00 0.00 N ATOM 204 CA LYS A 16 -1.791 13.112 2.376 1.00 0.00 C ATOM 205 C LYS A 16 -1.823 14.407 3.190 1.00 0.00 C ATOM 206 O LYS A 16 -1.866 15.499 2.625 1.00 0.00 O ATOM 207 CB LYS A 16 -0.391 12.515 2.225 1.00 0.00 C ATOM 208 CG LYS A 16 -0.124 11.463 3.303 1.00 0.00 C ATOM 209 CD LYS A 16 1.353 11.066 3.328 1.00 0.00 C ATOM 210 CE LYS A 16 1.937 11.035 1.914 1.00 0.00 C ATOM 211 NZ LYS A 16 3.161 10.205 1.876 1.00 0.00 N ATOM 0 H LYS A 16 -2.207 14.276 0.684 1.00 0.00 H new ATOM 0 HA LYS A 16 -2.369 12.372 2.930 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -0.289 12.064 1.238 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.355 13.307 2.292 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -0.416 11.854 4.278 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -0.738 10.582 3.116 1.00 0.00 H new ATOM 0 HD2 LYS A 16 1.913 11.772 3.941 1.00 0.00 H new ATOM 0 HD3 LYS A 16 1.462 10.086 3.792 1.00 0.00 H new ATOM 0 HE2 LYS A 16 1.199 10.636 1.218 1.00 0.00 H new ATOM 0 HE3 LYS A 16 2.168 12.049 1.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 3.544 10.195 0.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 3.870 10.602 2.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 2.931 9.233 2.167 1.00 0.00 H new ATOM 225 N LYS A 17 -1.800 14.243 4.505 1.00 0.00 N ATOM 226 CA LYS A 17 -1.826 15.386 5.402 1.00 0.00 C ATOM 227 C LYS A 17 -0.409 15.943 5.553 1.00 0.00 C ATOM 228 O LYS A 17 0.563 15.189 5.536 1.00 0.00 O ATOM 229 CB LYS A 17 -2.482 15.008 6.732 1.00 0.00 C ATOM 230 CG LYS A 17 -3.132 16.228 7.389 1.00 0.00 C ATOM 231 CD LYS A 17 -4.161 15.803 8.438 1.00 0.00 C ATOM 232 CE LYS A 17 -4.768 17.021 9.136 1.00 0.00 C ATOM 233 NZ LYS A 17 -4.361 17.059 10.559 1.00 0.00 N ATOM 0 H LYS A 17 -1.764 13.336 4.970 1.00 0.00 H new ATOM 0 HA LYS A 17 -2.440 16.184 4.984 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -3.234 14.237 6.565 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -1.735 14.584 7.403 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -2.365 16.846 7.856 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -3.615 16.841 6.628 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -4.951 15.221 7.963 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -3.687 15.155 9.176 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -4.445 17.933 8.635 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -5.855 16.985 9.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -4.782 17.892 11.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -4.691 16.196 11.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -3.324 17.115 10.622 1.00 0.00 H new ATOM 337 N TRP A 24 -3.560 19.563 1.538 1.00 0.00 N ATOM 338 CA TRP A 24 -3.123 18.191 1.344 1.00 0.00 C ATOM 339 C TRP A 24 -2.669 18.041 -0.109 1.00 0.00 C ATOM 340 O TRP A 24 -3.463 18.215 -1.033 1.00 0.00 O ATOM 341 CB TRP A 24 -4.226 17.205 1.731 1.00 0.00 C ATOM 342 CG TRP A 24 -4.673 17.312 3.190 1.00 0.00 C ATOM 343 CD1 TRP A 24 -4.496 18.338 4.034 1.00 0.00 C ATOM 344 CD2 TRP A 24 -5.384 16.310 3.948 1.00 0.00 C ATOM 345 NE1 TRP A 24 -5.038 18.071 5.275 1.00 0.00 N ATOM 346 CE2 TRP A 24 -5.595 16.799 5.221 1.00 0.00 C ATOM 347 CE3 TRP A 24 -5.833 15.032 3.570 1.00 0.00 C ATOM 348 CZ2 TRP A 24 -6.261 16.077 6.218 1.00 0.00 C ATOM 349 CZ3 TRP A 24 -6.496 14.323 4.578 1.00 0.00 C ATOM 350 CH2 TRP A 24 -6.717 14.801 5.865 1.00 0.00 C ATOM 0 HA TRP A 24 -2.282 17.957 1.997 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -5.088 17.369 1.085 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -3.875 16.190 1.543 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -3.993 19.258 3.776 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -5.031 18.693 6.083 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -5.678 14.629 2.580 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -6.415 16.482 7.207 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -6.862 13.335 4.340 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -7.238 14.191 6.589 1.00 0.00 H new ATOM 361 N LYS A 25 -1.393 17.719 -0.267 1.00 0.00 N ATOM 362 CA LYS A 25 -0.824 17.543 -1.593 1.00 0.00 C ATOM 363 C LYS A 25 -1.270 16.194 -2.160 1.00 0.00 C ATOM 364 O LYS A 25 -1.265 15.187 -1.453 1.00 0.00 O ATOM 365 CB LYS A 25 0.695 17.721 -1.552 1.00 0.00 C ATOM 366 CG LYS A 25 1.108 19.056 -2.176 1.00 0.00 C ATOM 367 CD LYS A 25 1.754 18.843 -3.546 1.00 0.00 C ATOM 368 CE LYS A 25 1.465 20.022 -4.477 1.00 0.00 C ATOM 369 NZ LYS A 25 1.906 19.713 -5.856 1.00 0.00 N ATOM 0 H LYS A 25 -0.737 17.575 0.501 1.00 0.00 H new ATOM 0 HA LYS A 25 -1.194 18.312 -2.271 1.00 0.00 H new ATOM 0 HB2 LYS A 25 1.042 17.675 -0.520 1.00 0.00 H new ATOM 0 HB3 LYS A 25 1.175 16.902 -2.087 1.00 0.00 H new ATOM 0 HG2 LYS A 25 0.234 19.700 -2.278 1.00 0.00 H new ATOM 0 HG3 LYS A 25 1.807 19.569 -1.516 1.00 0.00 H new ATOM 0 HD2 LYS A 25 2.831 18.722 -3.429 1.00 0.00 H new ATOM 0 HD3 LYS A 25 1.376 17.922 -3.991 1.00 0.00 H new ATOM 0 HE2 LYS A 25 0.398 20.245 -4.471 1.00 0.00 H new ATOM 0 HE3 LYS A 25 1.978 20.913 -4.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 1.703 20.523 -6.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 2.928 19.523 -5.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 1.397 18.875 -6.204 1.00 0.00 H new ATOM 383 N ALA A 26 -1.646 16.217 -3.430 1.00 0.00 N ATOM 384 CA ALA A 26 -2.094 15.008 -4.100 1.00 0.00 C ATOM 385 C ALA A 26 -0.895 14.320 -4.757 1.00 0.00 C ATOM 386 O ALA A 26 -0.223 14.910 -5.601 1.00 0.00 O ATOM 387 CB ALA A 26 -3.190 15.359 -5.108 1.00 0.00 C ATOM 0 H ALA A 26 -1.650 17.054 -4.013 1.00 0.00 H new ATOM 0 HA ALA A 26 -2.523 14.308 -3.383 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -3.526 14.452 -5.611 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -4.030 15.818 -4.587 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -2.796 16.058 -5.846 1.00 0.00 H new ATOM 393 N ARG A 27 -0.665 13.082 -4.345 1.00 0.00 N ATOM 394 CA ARG A 27 0.440 12.308 -4.883 1.00 0.00 C ATOM 395 C ARG A 27 -0.076 11.014 -5.516 1.00 0.00 C ATOM 396 O ARG A 27 -1.170 10.553 -5.191 1.00 0.00 O ATOM 397 CB ARG A 27 1.454 11.963 -3.790 1.00 0.00 C ATOM 398 CG ARG A 27 2.028 13.231 -3.154 1.00 0.00 C ATOM 399 CD ARG A 27 3.194 12.897 -2.222 1.00 0.00 C ATOM 400 NE ARG A 27 3.209 13.833 -1.075 1.00 0.00 N ATOM 401 CZ ARG A 27 3.518 15.133 -1.171 1.00 0.00 C ATOM 402 NH1 ARG A 27 3.839 15.660 -2.361 1.00 0.00 N ATOM 403 NH2 ARG A 27 3.505 15.907 -0.077 1.00 0.00 N ATOM 0 H ARG A 27 -1.225 12.596 -3.645 1.00 0.00 H new ATOM 0 HA ARG A 27 0.932 12.917 -5.642 1.00 0.00 H new ATOM 0 HB2 ARG A 27 0.975 11.353 -3.024 1.00 0.00 H new ATOM 0 HB3 ARG A 27 2.262 11.367 -4.214 1.00 0.00 H new ATOM 0 HG2 ARG A 27 2.365 13.913 -3.935 1.00 0.00 H new ATOM 0 HG3 ARG A 27 1.247 13.747 -2.595 1.00 0.00 H new ATOM 0 HD2 ARG A 27 3.102 11.872 -1.864 1.00 0.00 H new ATOM 0 HD3 ARG A 27 4.136 12.961 -2.767 1.00 0.00 H new ATOM 0 HE ARG A 27 2.969 13.465 -0.154 1.00 0.00 H new ATOM 0 HH11 ARG A 27 3.848 15.071 -3.194 1.00 0.00 H new ATOM 0 HH12 ARG A 27 4.074 16.650 -2.434 1.00 0.00 H new ATOM 0 HH21 ARG A 27 3.260 15.506 0.828 1.00 0.00 H new ATOM 0 HH22 ARG A 27 3.740 16.897 -0.150 1.00 0.00 H new ATOM 417 N TRP A 28 0.734 10.465 -6.409 1.00 0.00 N ATOM 418 CA TRP A 28 0.372 9.234 -7.091 1.00 0.00 C ATOM 419 C TRP A 28 0.862 8.061 -6.240 1.00 0.00 C ATOM 420 O TRP A 28 2.048 7.967 -5.930 1.00 0.00 O ATOM 421 CB TRP A 28 0.930 9.213 -8.516 1.00 0.00 C ATOM 422 CG TRP A 28 0.335 8.115 -9.400 1.00 0.00 C ATOM 423 CD1 TRP A 28 0.877 6.934 -9.726 1.00 0.00 C ATOM 424 CD2 TRP A 28 -0.947 8.146 -10.063 1.00 0.00 C ATOM 425 NE1 TRP A 28 0.042 6.203 -10.547 1.00 0.00 N ATOM 426 CE2 TRP A 28 -1.102 6.964 -10.758 1.00 0.00 C ATOM 427 CE3 TRP A 28 -1.942 9.139 -10.075 1.00 0.00 C ATOM 428 CZ2 TRP A 28 -2.241 6.665 -11.516 1.00 0.00 C ATOM 429 CZ3 TRP A 28 -3.073 8.825 -10.837 1.00 0.00 C ATOM 430 CH2 TRP A 28 -3.245 7.640 -11.543 1.00 0.00 C ATOM 0 H TRP A 28 1.640 10.850 -6.676 1.00 0.00 H new ATOM 0 HA TRP A 28 -0.710 9.157 -7.201 1.00 0.00 H new ATOM 0 HB2 TRP A 28 0.745 10.181 -8.982 1.00 0.00 H new ATOM 0 HB3 TRP A 28 2.011 9.083 -8.470 1.00 0.00 H new ATOM 0 HD1 TRP A 28 1.846 6.596 -9.389 1.00 0.00 H new ATOM 0 HE1 TRP A 28 0.230 5.276 -10.928 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -1.841 10.071 -9.538 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -2.339 5.732 -12.051 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -3.868 9.555 -10.880 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -4.149 7.472 -12.110 1.00 0.00 H new ATOM 441 N PHE A 29 -0.077 7.196 -5.886 1.00 0.00 N ATOM 442 CA PHE A 29 0.243 6.033 -5.076 1.00 0.00 C ATOM 443 C PHE A 29 0.094 4.743 -5.886 1.00 0.00 C ATOM 444 O PHE A 29 -0.506 4.746 -6.960 1.00 0.00 O ATOM 445 CB PHE A 29 -0.751 6.009 -3.914 1.00 0.00 C ATOM 446 CG PHE A 29 -0.302 6.817 -2.695 1.00 0.00 C ATOM 447 CD1 PHE A 29 0.403 7.968 -2.864 1.00 0.00 C ATOM 448 CD2 PHE A 29 -0.607 6.385 -1.442 1.00 0.00 C ATOM 449 CE1 PHE A 29 0.820 8.718 -1.732 1.00 0.00 C ATOM 450 CE2 PHE A 29 -0.190 7.135 -0.311 1.00 0.00 C ATOM 451 CZ PHE A 29 0.514 8.286 -0.480 1.00 0.00 C ATOM 0 H PHE A 29 -1.060 7.277 -6.145 1.00 0.00 H new ATOM 0 HA PHE A 29 1.274 6.095 -4.728 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -1.709 6.396 -4.261 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -0.916 4.975 -3.611 1.00 0.00 H new ATOM 0 HD1 PHE A 29 0.646 8.312 -3.859 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -1.167 5.471 -1.307 1.00 0.00 H new ATOM 0 HE1 PHE A 29 1.380 9.632 -1.866 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -0.432 6.791 0.684 1.00 0.00 H new ATOM 0 HZ PHE A 29 0.830 8.857 0.381 1.00 0.00 H new ATOM 461 N VAL A 30 0.649 3.671 -5.340 1.00 0.00 N ATOM 462 CA VAL A 30 0.585 2.378 -5.998 1.00 0.00 C ATOM 463 C VAL A 30 0.346 1.289 -4.950 1.00 0.00 C ATOM 464 O VAL A 30 1.138 1.130 -4.023 1.00 0.00 O ATOM 465 CB VAL A 30 1.853 2.146 -6.822 1.00 0.00 C ATOM 466 CG1 VAL A 30 2.006 0.669 -7.189 1.00 0.00 C ATOM 467 CG2 VAL A 30 1.861 3.026 -8.074 1.00 0.00 C ATOM 0 H VAL A 30 1.145 3.672 -4.449 1.00 0.00 H new ATOM 0 HA VAL A 30 -0.251 2.346 -6.697 1.00 0.00 H new ATOM 0 HB VAL A 30 2.708 2.428 -6.208 1.00 0.00 H new ATOM 0 HG11 VAL A 30 2.915 0.532 -7.774 1.00 0.00 H new ATOM 0 HG12 VAL A 30 2.067 0.072 -6.279 1.00 0.00 H new ATOM 0 HG13 VAL A 30 1.145 0.349 -7.776 1.00 0.00 H new ATOM 0 HG21 VAL A 30 2.773 2.842 -8.642 1.00 0.00 H new ATOM 0 HG22 VAL A 30 0.995 2.788 -8.691 1.00 0.00 H new ATOM 0 HG23 VAL A 30 1.821 4.075 -7.781 1.00 0.00 H new ATOM 477 N LEU A 31 -0.750 0.566 -5.133 1.00 0.00 N ATOM 478 CA LEU A 31 -1.103 -0.503 -4.215 1.00 0.00 C ATOM 479 C LEU A 31 -0.613 -1.838 -4.781 1.00 0.00 C ATOM 480 O LEU A 31 -1.377 -2.568 -5.409 1.00 0.00 O ATOM 481 CB LEU A 31 -2.603 -0.477 -3.913 1.00 0.00 C ATOM 482 CG LEU A 31 -3.003 -0.800 -2.472 1.00 0.00 C ATOM 483 CD1 LEU A 31 -3.277 -2.295 -2.301 1.00 0.00 C ATOM 484 CD2 LEU A 31 -1.949 -0.294 -1.484 1.00 0.00 C ATOM 0 H LEU A 31 -1.405 0.700 -5.904 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.606 -0.361 -3.256 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.986 0.512 -4.162 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.099 -1.187 -4.575 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.932 -0.275 -2.250 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.559 -2.497 -1.268 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.089 -2.594 -2.964 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.379 -2.860 -2.549 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.258 -0.536 -0.467 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.992 -0.771 -1.696 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.846 0.786 -1.584 1.00 0.00 H new ATOM 496 N ASP A 32 0.659 -2.116 -4.537 1.00 0.00 N ATOM 497 CA ASP A 32 1.261 -3.349 -5.014 1.00 0.00 C ATOM 498 C ASP A 32 0.877 -4.495 -4.075 1.00 0.00 C ATOM 499 O ASP A 32 1.262 -4.501 -2.907 1.00 0.00 O ATOM 500 CB ASP A 32 2.787 -3.246 -5.035 1.00 0.00 C ATOM 501 CG ASP A 32 3.347 -2.109 -5.891 1.00 0.00 C ATOM 502 OD1 ASP A 32 3.295 -2.254 -7.131 1.00 0.00 O ATOM 503 OD2 ASP A 32 3.813 -1.120 -5.286 1.00 0.00 O ATOM 0 H ASP A 32 1.290 -1.508 -4.015 1.00 0.00 H new ATOM 0 HA ASP A 32 0.899 -3.531 -6.026 1.00 0.00 H new ATOM 0 HB2 ASP A 32 3.142 -3.119 -4.012 1.00 0.00 H new ATOM 0 HB3 ASP A 32 3.195 -4.189 -5.399 1.00 0.00 H new ATOM 508 N LYS A 33 0.122 -5.437 -4.621 1.00 0.00 N ATOM 509 CA LYS A 33 -0.318 -6.586 -3.847 1.00 0.00 C ATOM 510 C LYS A 33 0.801 -7.628 -3.808 1.00 0.00 C ATOM 511 O LYS A 33 0.982 -8.313 -2.803 1.00 0.00 O ATOM 512 CB LYS A 33 -1.641 -7.124 -4.393 1.00 0.00 C ATOM 513 CG LYS A 33 -1.482 -7.611 -5.835 1.00 0.00 C ATOM 514 CD LYS A 33 -1.651 -9.129 -5.923 1.00 0.00 C ATOM 515 CE LYS A 33 -3.125 -9.524 -5.814 1.00 0.00 C ATOM 516 NZ LYS A 33 -3.283 -10.987 -5.977 1.00 0.00 N ATOM 0 H LYS A 33 -0.196 -5.428 -5.590 1.00 0.00 H new ATOM 0 HA LYS A 33 -0.520 -6.296 -2.816 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -1.991 -7.943 -3.765 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -2.400 -6.343 -4.351 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -2.220 -7.122 -6.471 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -0.499 -7.329 -6.212 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -1.243 -9.490 -6.867 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -1.082 -9.609 -5.126 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -3.520 -9.215 -4.846 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -3.705 -9.003 -6.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -4.289 -11.238 -5.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -2.925 -11.273 -6.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -2.746 -11.479 -5.235 1.00 0.00 H new ATOM 530 N THR A 34 1.524 -7.716 -4.915 1.00 0.00 N ATOM 531 CA THR A 34 2.620 -8.663 -5.021 1.00 0.00 C ATOM 532 C THR A 34 3.791 -8.224 -4.139 1.00 0.00 C ATOM 533 O THR A 34 4.498 -9.060 -3.578 1.00 0.00 O ATOM 534 CB THR A 34 2.990 -8.797 -6.499 1.00 0.00 C ATOM 535 OG1 THR A 34 3.662 -7.577 -6.800 1.00 0.00 O ATOM 536 CG2 THR A 34 1.763 -8.781 -7.413 1.00 0.00 C ATOM 0 H THR A 34 1.372 -7.146 -5.747 1.00 0.00 H new ATOM 0 HA THR A 34 2.328 -9.647 -4.655 1.00 0.00 H new ATOM 0 HB THR A 34 3.545 -9.723 -6.652 1.00 0.00 H new ATOM 0 HG1 THR A 34 3.939 -7.579 -7.740 1.00 0.00 H new ATOM 0 HG21 THR A 34 2.081 -8.879 -8.451 1.00 0.00 H new ATOM 0 HG22 THR A 34 1.106 -9.612 -7.155 1.00 0.00 H new ATOM 0 HG23 THR A 34 1.226 -7.841 -7.285 1.00 0.00 H new ATOM 544 N LYS A 35 3.960 -6.914 -4.044 1.00 0.00 N ATOM 545 CA LYS A 35 5.032 -6.353 -3.240 1.00 0.00 C ATOM 546 C LYS A 35 4.493 -6.000 -1.853 1.00 0.00 C ATOM 547 O LYS A 35 5.258 -5.644 -0.957 1.00 0.00 O ATOM 548 CB LYS A 35 5.685 -5.174 -3.965 1.00 0.00 C ATOM 549 CG LYS A 35 6.507 -5.655 -5.163 1.00 0.00 C ATOM 550 CD LYS A 35 8.006 -5.505 -4.895 1.00 0.00 C ATOM 551 CE LYS A 35 8.648 -4.540 -5.894 1.00 0.00 C ATOM 552 NZ LYS A 35 10.117 -4.716 -5.913 1.00 0.00 N ATOM 0 H LYS A 35 3.372 -6.224 -4.511 1.00 0.00 H new ATOM 0 HA LYS A 35 5.825 -7.087 -3.096 1.00 0.00 H new ATOM 0 HB2 LYS A 35 4.916 -4.479 -4.302 1.00 0.00 H new ATOM 0 HB3 LYS A 35 6.327 -4.628 -3.274 1.00 0.00 H new ATOM 0 HG2 LYS A 35 6.274 -6.699 -5.373 1.00 0.00 H new ATOM 0 HG3 LYS A 35 6.233 -5.083 -6.050 1.00 0.00 H new ATOM 0 HD2 LYS A 35 8.163 -5.141 -3.880 1.00 0.00 H new ATOM 0 HD3 LYS A 35 8.490 -6.479 -4.962 1.00 0.00 H new ATOM 0 HE2 LYS A 35 8.242 -4.715 -6.890 1.00 0.00 H new ATOM 0 HE3 LYS A 35 8.402 -3.513 -5.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 10.537 -4.054 -6.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 10.502 -4.527 -4.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 10.346 -5.692 -6.191 1.00 0.00 H new ATOM 566 N HIS A 36 3.180 -6.109 -1.718 1.00 0.00 N ATOM 567 CA HIS A 36 2.529 -5.806 -0.455 1.00 0.00 C ATOM 568 C HIS A 36 3.131 -4.531 0.139 1.00 0.00 C ATOM 569 O HIS A 36 3.314 -4.432 1.351 1.00 0.00 O ATOM 570 CB HIS A 36 2.611 -6.999 0.499 1.00 0.00 C ATOM 571 CG HIS A 36 4.003 -7.561 0.663 1.00 0.00 C ATOM 572 ND1 HIS A 36 4.351 -8.835 0.250 1.00 0.00 N ATOM 573 CD2 HIS A 36 5.129 -7.008 1.198 1.00 0.00 C ATOM 574 CE1 HIS A 36 5.631 -9.030 0.529 1.00 0.00 C ATOM 575 NE2 HIS A 36 6.112 -7.897 1.118 1.00 0.00 N ATOM 0 H HIS A 36 2.549 -6.403 -2.463 1.00 0.00 H new ATOM 0 HA HIS A 36 1.468 -5.622 -0.624 1.00 0.00 H new ATOM 0 HB2 HIS A 36 2.235 -6.696 1.476 1.00 0.00 H new ATOM 0 HB3 HIS A 36 1.953 -7.788 0.135 1.00 0.00 H new ATOM 0 HD2 HIS A 36 5.208 -6.015 1.616 1.00 0.00 H new ATOM 0 HE1 HIS A 36 6.195 -9.928 0.326 1.00 0.00 H new ATOM 0 HE2 HIS A 36 7.069 -7.756 1.443 1.00 0.00 H new ATOM 583 N GLN A 37 3.422 -3.586 -0.743 1.00 0.00 N ATOM 584 CA GLN A 37 3.999 -2.320 -0.321 1.00 0.00 C ATOM 585 C GLN A 37 3.222 -1.153 -0.932 1.00 0.00 C ATOM 586 O GLN A 37 2.416 -1.346 -1.841 1.00 0.00 O ATOM 587 CB GLN A 37 5.482 -2.244 -0.690 1.00 0.00 C ATOM 588 CG GLN A 37 6.323 -3.125 0.236 1.00 0.00 C ATOM 589 CD GLN A 37 7.530 -3.705 -0.505 1.00 0.00 C ATOM 590 OE1 GLN A 37 7.412 -4.583 -1.344 1.00 0.00 O ATOM 591 NE2 GLN A 37 8.693 -3.167 -0.150 1.00 0.00 N ATOM 0 H GLN A 37 3.269 -3.671 -1.748 1.00 0.00 H new ATOM 0 HA GLN A 37 3.924 -2.252 0.764 1.00 0.00 H new ATOM 0 HB2 GLN A 37 5.620 -2.561 -1.724 1.00 0.00 H new ATOM 0 HB3 GLN A 37 5.824 -1.211 -0.625 1.00 0.00 H new ATOM 0 HG2 GLN A 37 6.663 -2.540 1.090 1.00 0.00 H new ATOM 0 HG3 GLN A 37 5.709 -3.936 0.629 1.00 0.00 H new ATOM 0 HE21 GLN A 37 8.721 -2.435 0.560 1.00 0.00 H new ATOM 0 HE22 GLN A 37 9.557 -3.486 -0.587 1.00 0.00 H new ATOM 600 N LEU A 38 3.490 0.034 -0.407 1.00 0.00 N ATOM 601 CA LEU A 38 2.826 1.233 -0.889 1.00 0.00 C ATOM 602 C LEU A 38 3.852 2.142 -1.568 1.00 0.00 C ATOM 603 O LEU A 38 4.643 2.802 -0.896 1.00 0.00 O ATOM 604 CB LEU A 38 2.058 1.913 0.246 1.00 0.00 C ATOM 605 CG LEU A 38 0.701 2.514 -0.127 1.00 0.00 C ATOM 606 CD1 LEU A 38 -0.341 2.229 0.956 1.00 0.00 C ATOM 607 CD2 LEU A 38 0.826 4.009 -0.423 1.00 0.00 C ATOM 0 H LEU A 38 4.158 0.191 0.348 1.00 0.00 H new ATOM 0 HA LEU A 38 2.079 0.978 -1.641 1.00 0.00 H new ATOM 0 HB2 LEU A 38 1.904 1.184 1.041 1.00 0.00 H new ATOM 0 HB3 LEU A 38 2.683 2.706 0.657 1.00 0.00 H new ATOM 0 HG LEU A 38 0.354 2.033 -1.042 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -1.296 2.667 0.666 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.457 1.152 1.075 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -0.013 2.665 1.900 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.153 4.411 -0.685 1.00 0.00 H new ATOM 0 HD22 LEU A 38 1.205 4.524 0.460 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.515 4.159 -1.255 1.00 0.00 H new ATOM 619 N ARG A 39 3.807 2.146 -2.892 1.00 0.00 N ATOM 620 CA ARG A 39 4.723 2.963 -3.670 1.00 0.00 C ATOM 621 C ARG A 39 4.025 4.239 -4.145 1.00 0.00 C ATOM 622 O ARG A 39 3.030 4.174 -4.866 1.00 0.00 O ATOM 623 CB ARG A 39 5.250 2.196 -4.884 1.00 0.00 C ATOM 624 CG ARG A 39 6.396 1.263 -4.488 1.00 0.00 C ATOM 625 CD ARG A 39 6.267 -0.092 -5.187 1.00 0.00 C ATOM 626 NE ARG A 39 7.594 -0.547 -5.658 1.00 0.00 N ATOM 627 CZ ARG A 39 8.142 -0.183 -6.826 1.00 0.00 C ATOM 628 NH1 ARG A 39 7.480 0.644 -7.647 1.00 0.00 N ATOM 629 NH2 ARG A 39 9.351 -0.645 -7.171 1.00 0.00 N ATOM 0 H ARG A 39 3.150 1.596 -3.446 1.00 0.00 H new ATOM 0 HA ARG A 39 5.563 3.223 -3.026 1.00 0.00 H new ATOM 0 HB2 ARG A 39 4.442 1.616 -5.331 1.00 0.00 H new ATOM 0 HB3 ARG A 39 5.595 2.900 -5.642 1.00 0.00 H new ATOM 0 HG2 ARG A 39 7.350 1.722 -4.749 1.00 0.00 H new ATOM 0 HG3 ARG A 39 6.396 1.120 -3.407 1.00 0.00 H new ATOM 0 HD2 ARG A 39 5.844 -0.826 -4.501 1.00 0.00 H new ATOM 0 HD3 ARG A 39 5.581 -0.012 -6.030 1.00 0.00 H new ATOM 0 HE ARG A 39 8.125 -1.177 -5.056 1.00 0.00 H new ATOM 0 HH11 ARG A 39 6.560 0.996 -7.383 1.00 0.00 H new ATOM 0 HH12 ARG A 39 7.896 0.921 -8.536 1.00 0.00 H new ATOM 0 HH21 ARG A 39 9.854 -1.274 -6.545 1.00 0.00 H new ATOM 0 HH22 ARG A 39 9.768 -0.368 -8.060 1.00 0.00 H new ATOM 643 N TYR A 40 4.573 5.368 -3.722 1.00 0.00 N ATOM 644 CA TYR A 40 4.015 6.657 -4.095 1.00 0.00 C ATOM 645 C TYR A 40 5.093 7.574 -4.674 1.00 0.00 C ATOM 646 O TYR A 40 6.260 7.483 -4.296 1.00 0.00 O ATOM 647 CB TYR A 40 3.477 7.274 -2.803 1.00 0.00 C ATOM 648 CG TYR A 40 4.566 7.783 -1.856 1.00 0.00 C ATOM 649 CD1 TYR A 40 5.126 6.930 -0.927 1.00 0.00 C ATOM 650 CD2 TYR A 40 4.988 9.095 -1.932 1.00 0.00 C ATOM 651 CE1 TYR A 40 6.151 7.409 -0.036 1.00 0.00 C ATOM 652 CE2 TYR A 40 6.013 9.574 -1.041 1.00 0.00 C ATOM 653 CZ TYR A 40 6.544 8.707 -0.137 1.00 0.00 C ATOM 654 OH TYR A 40 7.512 9.160 0.704 1.00 0.00 O ATOM 0 H TYR A 40 5.398 5.417 -3.124 1.00 0.00 H new ATOM 0 HA TYR A 40 3.242 6.535 -4.853 1.00 0.00 H new ATOM 0 HB2 TYR A 40 2.814 8.101 -3.056 1.00 0.00 H new ATOM 0 HB3 TYR A 40 2.874 6.531 -2.281 1.00 0.00 H new ATOM 0 HD1 TYR A 40 4.796 5.903 -0.868 1.00 0.00 H new ATOM 0 HD2 TYR A 40 4.550 9.762 -2.659 1.00 0.00 H new ATOM 0 HE1 TYR A 40 6.598 6.752 0.696 1.00 0.00 H new ATOM 0 HE2 TYR A 40 6.352 10.598 -1.089 1.00 0.00 H new ATOM 0 HH TYR A 40 7.692 10.105 0.517 1.00 0.00 H new ATOM 664 N TYR A 41 4.664 8.438 -5.583 1.00 0.00 N ATOM 665 CA TYR A 41 5.579 9.372 -6.218 1.00 0.00 C ATOM 666 C TYR A 41 4.970 10.774 -6.288 1.00 0.00 C ATOM 667 O TYR A 41 3.785 10.954 -6.014 1.00 0.00 O ATOM 668 CB TYR A 41 5.794 8.850 -7.640 1.00 0.00 C ATOM 669 CG TYR A 41 6.209 7.379 -7.708 1.00 0.00 C ATOM 670 CD1 TYR A 41 5.318 6.393 -7.337 1.00 0.00 C ATOM 671 CD2 TYR A 41 7.475 7.039 -8.139 1.00 0.00 C ATOM 672 CE1 TYR A 41 5.709 5.008 -7.400 1.00 0.00 C ATOM 673 CE2 TYR A 41 7.867 5.655 -8.202 1.00 0.00 C ATOM 674 CZ TYR A 41 6.964 4.708 -7.830 1.00 0.00 C ATOM 675 OH TYR A 41 7.334 3.400 -7.890 1.00 0.00 O ATOM 0 H TYR A 41 3.696 8.511 -5.895 1.00 0.00 H new ATOM 0 HA TYR A 41 6.509 9.443 -5.654 1.00 0.00 H new ATOM 0 HB2 TYR A 41 4.873 8.983 -8.208 1.00 0.00 H new ATOM 0 HB3 TYR A 41 6.559 9.455 -8.126 1.00 0.00 H new ATOM 0 HD1 TYR A 41 4.327 6.660 -6.999 1.00 0.00 H new ATOM 0 HD2 TYR A 41 8.172 7.811 -8.429 1.00 0.00 H new ATOM 0 HE1 TYR A 41 5.022 4.226 -7.113 1.00 0.00 H new ATOM 0 HE2 TYR A 41 8.855 5.375 -8.537 1.00 0.00 H new ATOM 0 HH TYR A 41 8.256 3.335 -8.216 1.00 0.00 H new ATOM 836 N VAL A 52 8.788 3.397 0.498 1.00 0.00 N ATOM 837 CA VAL A 52 7.663 2.494 0.324 1.00 0.00 C ATOM 838 C VAL A 52 7.034 2.202 1.688 1.00 0.00 C ATOM 839 O VAL A 52 7.681 2.364 2.722 1.00 0.00 O ATOM 840 CB VAL A 52 8.114 1.230 -0.409 1.00 0.00 C ATOM 841 CG1 VAL A 52 8.806 1.579 -1.729 1.00 0.00 C ATOM 842 CG2 VAL A 52 9.024 0.377 0.478 1.00 0.00 C ATOM 0 HA VAL A 52 6.895 2.956 -0.297 1.00 0.00 H new ATOM 0 HB VAL A 52 7.226 0.642 -0.641 1.00 0.00 H new ATOM 0 HG11 VAL A 52 9.117 0.662 -2.230 1.00 0.00 H new ATOM 0 HG12 VAL A 52 8.114 2.126 -2.369 1.00 0.00 H new ATOM 0 HG13 VAL A 52 9.681 2.198 -1.529 1.00 0.00 H new ATOM 0 HG21 VAL A 52 9.330 -0.516 -0.067 1.00 0.00 H new ATOM 0 HG22 VAL A 52 9.906 0.954 0.755 1.00 0.00 H new ATOM 0 HG23 VAL A 52 8.484 0.085 1.379 1.00 0.00 H new ATOM 852 N ILE A 53 5.780 1.776 1.647 1.00 0.00 N ATOM 853 CA ILE A 53 5.056 1.460 2.866 1.00 0.00 C ATOM 854 C ILE A 53 4.672 -0.021 2.857 1.00 0.00 C ATOM 855 O ILE A 53 3.703 -0.410 2.205 1.00 0.00 O ATOM 856 CB ILE A 53 3.865 2.403 3.043 1.00 0.00 C ATOM 857 CG1 ILE A 53 4.173 3.788 2.469 1.00 0.00 C ATOM 858 CG2 ILE A 53 3.434 2.473 4.509 1.00 0.00 C ATOM 859 CD1 ILE A 53 2.924 4.673 2.473 1.00 0.00 C ATOM 0 H ILE A 53 5.247 1.642 0.788 1.00 0.00 H new ATOM 0 HA ILE A 53 5.691 1.620 3.737 1.00 0.00 H new ATOM 0 HB ILE A 53 3.023 2.000 2.479 1.00 0.00 H new ATOM 0 HG12 ILE A 53 4.961 4.262 3.055 1.00 0.00 H new ATOM 0 HG13 ILE A 53 4.549 3.688 1.451 1.00 0.00 H new ATOM 0 HG21 ILE A 53 2.586 3.150 4.607 1.00 0.00 H new ATOM 0 HG22 ILE A 53 3.146 1.479 4.852 1.00 0.00 H new ATOM 0 HG23 ILE A 53 4.263 2.840 5.115 1.00 0.00 H new ATOM 0 HD11 ILE A 53 3.170 5.651 2.060 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.147 4.208 1.866 1.00 0.00 H new ATOM 0 HD13 ILE A 53 2.565 4.790 3.495 1.00 0.00 H new ATOM 871 N ASP A 54 5.450 -0.807 3.586 1.00 0.00 N ATOM 872 CA ASP A 54 5.203 -2.236 3.669 1.00 0.00 C ATOM 873 C ASP A 54 3.832 -2.476 4.304 1.00 0.00 C ATOM 874 O ASP A 54 3.636 -2.204 5.488 1.00 0.00 O ATOM 875 CB ASP A 54 6.255 -2.927 4.539 1.00 0.00 C ATOM 876 CG ASP A 54 6.237 -4.456 4.483 1.00 0.00 C ATOM 877 OD1 ASP A 54 5.321 -4.989 3.820 1.00 0.00 O ATOM 878 OD2 ASP A 54 7.140 -5.057 5.105 1.00 0.00 O ATOM 0 H ASP A 54 6.252 -0.481 4.125 1.00 0.00 H new ATOM 0 HA ASP A 54 5.245 -2.645 2.659 1.00 0.00 H new ATOM 0 HB2 ASP A 54 7.242 -2.579 4.235 1.00 0.00 H new ATOM 0 HB3 ASP A 54 6.112 -2.615 5.573 1.00 0.00 H new ATOM 883 N LEU A 55 2.919 -2.984 3.490 1.00 0.00 N ATOM 884 CA LEU A 55 1.572 -3.264 3.958 1.00 0.00 C ATOM 885 C LEU A 55 1.629 -4.325 5.058 1.00 0.00 C ATOM 886 O LEU A 55 0.744 -4.389 5.910 1.00 0.00 O ATOM 887 CB LEU A 55 0.665 -3.642 2.785 1.00 0.00 C ATOM 888 CG LEU A 55 0.567 -2.615 1.654 1.00 0.00 C ATOM 889 CD1 LEU A 55 -0.089 -3.226 0.414 1.00 0.00 C ATOM 890 CD2 LEU A 55 -0.158 -1.352 2.122 1.00 0.00 C ATOM 0 H LEU A 55 3.085 -3.209 2.509 1.00 0.00 H new ATOM 0 HA LEU A 55 1.129 -2.371 4.399 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.021 -4.583 2.365 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.338 -3.825 3.171 1.00 0.00 H new ATOM 0 HG LEU A 55 1.578 -2.320 1.372 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -0.146 -2.476 -0.374 1.00 0.00 H new ATOM 0 HD12 LEU A 55 0.505 -4.072 0.067 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -1.094 -3.567 0.664 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -0.214 -0.639 1.300 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -1.166 -1.610 2.448 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.388 -0.906 2.953 1.00 0.00 H new ATOM 902 N ALA A 56 2.678 -5.132 5.004 1.00 0.00 N ATOM 903 CA ALA A 56 2.862 -6.187 5.985 1.00 0.00 C ATOM 904 C ALA A 56 3.119 -5.562 7.358 1.00 0.00 C ATOM 905 O ALA A 56 3.108 -6.258 8.373 1.00 0.00 O ATOM 906 CB ALA A 56 4.002 -7.105 5.540 1.00 0.00 C ATOM 0 H ALA A 56 3.410 -5.076 4.296 1.00 0.00 H new ATOM 0 HA ALA A 56 1.963 -6.798 6.064 1.00 0.00 H new ATOM 0 HB1 ALA A 56 4.140 -7.897 6.276 1.00 0.00 H new ATOM 0 HB2 ALA A 56 3.758 -7.547 4.574 1.00 0.00 H new ATOM 0 HB3 ALA A 56 4.922 -6.527 5.452 1.00 0.00 H new ATOM 912 N GLU A 57 3.343 -4.257 7.346 1.00 0.00 N ATOM 913 CA GLU A 57 3.602 -3.530 8.577 1.00 0.00 C ATOM 914 C GLU A 57 2.325 -2.846 9.068 1.00 0.00 C ATOM 915 O GLU A 57 2.217 -2.495 10.242 1.00 0.00 O ATOM 916 CB GLU A 57 4.730 -2.514 8.387 1.00 0.00 C ATOM 917 CG GLU A 57 6.083 -3.215 8.250 1.00 0.00 C ATOM 918 CD GLU A 57 6.671 -3.545 9.624 1.00 0.00 C ATOM 919 OE1 GLU A 57 6.872 -2.586 10.400 1.00 0.00 O ATOM 920 OE2 GLU A 57 6.905 -4.748 9.867 1.00 0.00 O ATOM 0 H GLU A 57 3.351 -3.683 6.503 1.00 0.00 H new ATOM 0 HA GLU A 57 3.924 -4.243 9.336 1.00 0.00 H new ATOM 0 HB2 GLU A 57 4.537 -1.913 7.499 1.00 0.00 H new ATOM 0 HB3 GLU A 57 4.755 -1.830 9.236 1.00 0.00 H new ATOM 0 HG2 GLU A 57 5.965 -4.131 7.671 1.00 0.00 H new ATOM 0 HG3 GLU A 57 6.773 -2.576 7.699 1.00 0.00 H new ATOM 927 N VAL A 58 1.390 -2.677 8.145 1.00 0.00 N ATOM 928 CA VAL A 58 0.124 -2.041 8.470 1.00 0.00 C ATOM 929 C VAL A 58 -0.642 -2.917 9.463 1.00 0.00 C ATOM 930 O VAL A 58 -0.763 -4.125 9.266 1.00 0.00 O ATOM 931 CB VAL A 58 -0.664 -1.760 7.189 1.00 0.00 C ATOM 932 CG1 VAL A 58 -2.075 -1.264 7.512 1.00 0.00 C ATOM 933 CG2 VAL A 58 0.077 -0.762 6.297 1.00 0.00 C ATOM 0 H VAL A 58 1.483 -2.969 7.172 1.00 0.00 H new ATOM 0 HA VAL A 58 0.293 -1.077 8.950 1.00 0.00 H new ATOM 0 HB VAL A 58 -0.755 -2.697 6.639 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -2.614 -1.072 6.584 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -2.604 -2.023 8.089 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -2.013 -0.344 8.093 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -0.505 -0.580 5.393 1.00 0.00 H new ATOM 0 HG22 VAL A 58 0.214 0.176 6.836 1.00 0.00 H new ATOM 0 HG23 VAL A 58 1.051 -1.170 6.026 1.00 0.00 H new ATOM 943 N GLU A 59 -1.139 -2.274 10.510 1.00 0.00 N ATOM 944 CA GLU A 59 -1.890 -2.980 11.534 1.00 0.00 C ATOM 945 C GLU A 59 -3.382 -2.975 11.197 1.00 0.00 C ATOM 946 O GLU A 59 -4.107 -3.899 11.561 1.00 0.00 O ATOM 947 CB GLU A 59 -1.638 -2.372 12.915 1.00 0.00 C ATOM 948 CG GLU A 59 -0.235 -2.717 13.419 1.00 0.00 C ATOM 949 CD GLU A 59 -0.004 -2.158 14.824 1.00 0.00 C ATOM 950 OE1 GLU A 59 -0.444 -2.830 15.782 1.00 0.00 O ATOM 951 OE2 GLU A 59 0.607 -1.070 14.909 1.00 0.00 O ATOM 0 H GLU A 59 -1.036 -1.272 10.671 1.00 0.00 H new ATOM 0 HA GLU A 59 -1.547 -4.014 11.560 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -1.755 -1.289 12.866 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -2.383 -2.741 13.620 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -0.104 -3.799 13.428 1.00 0.00 H new ATOM 0 HG3 GLU A 59 0.511 -2.311 12.735 1.00 0.00 H new ATOM 958 N ALA A 60 -3.796 -1.924 10.504 1.00 0.00 N ATOM 959 CA ALA A 60 -5.189 -1.787 10.114 1.00 0.00 C ATOM 960 C ALA A 60 -5.465 -0.332 9.728 1.00 0.00 C ATOM 961 O ALA A 60 -4.639 0.546 9.972 1.00 0.00 O ATOM 962 CB ALA A 60 -6.089 -2.268 11.253 1.00 0.00 C ATOM 0 H ALA A 60 -3.191 -1.160 10.203 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.406 -2.407 9.244 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -7.134 -2.165 10.960 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -5.874 -3.315 11.469 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -5.901 -1.668 12.143 1.00 0.00 H new ATOM 968 N VAL A 61 -6.629 -0.122 9.131 1.00 0.00 N ATOM 969 CA VAL A 61 -7.024 1.211 8.709 1.00 0.00 C ATOM 970 C VAL A 61 -8.460 1.480 9.163 1.00 0.00 C ATOM 971 O VAL A 61 -9.284 0.567 9.202 1.00 0.00 O ATOM 972 CB VAL A 61 -6.838 1.358 7.198 1.00 0.00 C ATOM 973 CG1 VAL A 61 -6.967 0.005 6.495 1.00 0.00 C ATOM 974 CG2 VAL A 61 -7.826 2.373 6.619 1.00 0.00 C ATOM 0 H VAL A 61 -7.311 -0.853 8.930 1.00 0.00 H new ATOM 0 HA VAL A 61 -6.389 1.963 9.176 1.00 0.00 H new ATOM 0 HB VAL A 61 -5.830 1.733 7.020 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -6.831 0.138 5.422 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -6.207 -0.677 6.876 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -7.956 -0.411 6.686 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -7.672 2.458 5.543 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -8.846 2.041 6.814 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -7.665 3.345 7.086 1.00 0.00 H new ATOM 984 N ALA A 62 -8.716 2.737 9.495 1.00 0.00 N ATOM 985 CA ALA A 62 -10.039 3.138 9.945 1.00 0.00 C ATOM 986 C ALA A 62 -10.432 4.445 9.255 1.00 0.00 C ATOM 987 O ALA A 62 -9.591 5.317 9.041 1.00 0.00 O ATOM 988 CB ALA A 62 -10.044 3.258 11.470 1.00 0.00 C ATOM 0 H ALA A 62 -8.030 3.491 9.461 1.00 0.00 H new ATOM 0 HA ALA A 62 -10.781 2.387 9.675 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -11.036 3.559 11.808 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -9.786 2.295 11.912 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -9.313 4.006 11.779 1.00 0.00 H new ATOM 994 N PRO A 63 -11.746 4.544 8.916 1.00 0.00 N ATOM 995 CA PRO A 63 -12.262 5.730 8.255 1.00 0.00 C ATOM 996 C PRO A 63 -12.393 6.894 9.240 1.00 0.00 C ATOM 997 O PRO A 63 -13.036 6.762 10.280 1.00 0.00 O ATOM 998 CB PRO A 63 -13.594 5.302 7.661 1.00 0.00 C ATOM 999 CG PRO A 63 -13.992 4.036 8.401 1.00 0.00 C ATOM 1000 CD PRO A 63 -12.771 3.532 9.154 1.00 0.00 C ATOM 0 HA PRO A 63 -11.595 6.101 7.477 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -14.346 6.081 7.787 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -13.503 5.117 6.591 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -14.810 4.239 9.092 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -14.347 3.280 7.701 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -12.979 3.422 10.218 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -12.455 2.555 8.788 1.00 0.00 H new ATOM 1008 N GLY A 64 -11.772 8.007 8.878 1.00 0.00 N ATOM 1009 CA GLY A 64 -11.811 9.192 9.717 1.00 0.00 C ATOM 1010 C GLY A 64 -12.853 10.190 9.209 1.00 0.00 C ATOM 1011 O GLY A 64 -14.014 9.833 9.011 1.00 0.00 O ATOM 0 H GLY A 64 -11.239 8.113 8.015 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -12.045 8.908 10.743 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -10.828 9.663 9.733 1.00 0.00 H new ATOM 1015 N THR A 65 -12.403 11.420 9.012 1.00 0.00 N ATOM 1016 CA THR A 65 -13.282 12.471 8.531 1.00 0.00 C ATOM 1017 C THR A 65 -12.464 13.661 8.025 1.00 0.00 C ATOM 1018 O THR A 65 -11.264 13.747 8.279 1.00 0.00 O ATOM 1019 CB THR A 65 -14.248 12.834 9.661 1.00 0.00 C ATOM 1020 OG1 THR A 65 -15.517 12.924 9.018 1.00 0.00 O ATOM 1021 CG2 THR A 65 -14.007 14.243 10.207 1.00 0.00 C ATOM 0 H THR A 65 -11.440 11.712 9.177 1.00 0.00 H new ATOM 0 HA THR A 65 -13.870 12.135 7.677 1.00 0.00 H new ATOM 0 HB THR A 65 -14.149 12.109 10.469 1.00 0.00 H new ATOM 0 HG1 THR A 65 -16.203 13.154 9.679 1.00 0.00 H new ATOM 0 HG21 THR A 65 -14.719 14.450 11.006 1.00 0.00 H new ATOM 0 HG22 THR A 65 -12.992 14.313 10.598 1.00 0.00 H new ATOM 0 HG23 THR A 65 -14.139 14.971 9.406 1.00 0.00 H new ATOM 1029 N PRO A 66 -13.165 14.574 7.300 1.00 0.00 N ATOM 1030 CA PRO A 66 -12.516 15.755 6.756 1.00 0.00 C ATOM 1031 C PRO A 66 -12.244 16.785 7.854 1.00 0.00 C ATOM 1032 O PRO A 66 -13.095 17.624 8.148 1.00 0.00 O ATOM 1033 CB PRO A 66 -13.465 16.266 5.684 1.00 0.00 C ATOM 1034 CG PRO A 66 -14.813 15.631 5.983 1.00 0.00 C ATOM 1035 CD PRO A 66 -14.588 14.505 6.979 1.00 0.00 C ATOM 0 HA PRO A 66 -11.536 15.539 6.331 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -13.532 17.354 5.708 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -13.115 15.990 4.689 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -15.501 16.371 6.392 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -15.265 15.247 5.069 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -15.202 14.636 7.870 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -14.851 13.538 6.550 1.00 0.00 H new ATOM 1043 N THR A 67 -11.055 16.689 8.430 1.00 0.00 N ATOM 1044 CA THR A 67 -10.661 17.602 9.489 1.00 0.00 C ATOM 1045 C THR A 67 -10.360 18.988 8.914 1.00 0.00 C ATOM 1046 O THR A 67 -10.585 19.234 7.730 1.00 0.00 O ATOM 1047 CB THR A 67 -9.475 16.982 10.231 1.00 0.00 C ATOM 1048 OG1 THR A 67 -8.396 17.079 9.305 1.00 0.00 O ATOM 1049 CG2 THR A 67 -9.643 15.477 10.449 1.00 0.00 C ATOM 0 H THR A 67 -10.352 15.993 8.183 1.00 0.00 H new ATOM 0 HA THR A 67 -11.470 17.750 10.205 1.00 0.00 H new ATOM 0 HB THR A 67 -9.351 17.477 11.194 1.00 0.00 H new ATOM 0 HG1 THR A 67 -7.954 16.208 9.225 1.00 0.00 H new ATOM 0 HG21 THR A 67 -8.774 15.087 10.979 1.00 0.00 H new ATOM 0 HG22 THR A 67 -10.541 15.293 11.039 1.00 0.00 H new ATOM 0 HG23 THR A 67 -9.733 14.978 9.484 1.00 0.00 H new ATOM 1057 N ILE A 68 -9.856 19.856 9.779 1.00 0.00 N ATOM 1058 CA ILE A 68 -9.523 21.210 9.372 1.00 0.00 C ATOM 1059 C ILE A 68 -8.231 21.188 8.553 1.00 0.00 C ATOM 1060 O ILE A 68 -7.213 20.665 9.005 1.00 0.00 O ATOM 1061 CB ILE A 68 -9.464 22.136 10.588 1.00 0.00 C ATOM 1062 CG1 ILE A 68 -10.851 22.316 11.208 1.00 0.00 C ATOM 1063 CG2 ILE A 68 -8.819 23.476 10.227 1.00 0.00 C ATOM 1064 CD1 ILE A 68 -10.749 22.887 12.624 1.00 0.00 C ATOM 0 H ILE A 68 -9.670 19.648 10.760 1.00 0.00 H new ATOM 0 HA ILE A 68 -10.303 21.617 8.728 1.00 0.00 H new ATOM 0 HB ILE A 68 -8.832 21.668 11.343 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -11.448 22.983 10.585 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -11.368 21.357 11.235 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -8.790 24.115 11.109 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -7.804 23.306 9.868 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -9.403 23.962 9.446 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -11.749 23.005 13.042 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -10.172 22.206 13.250 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -10.253 23.857 12.590 1.00 0.00 H new ATOM 1076 N GLY A 69 -8.313 21.762 7.362 1.00 0.00 N ATOM 1077 CA GLY A 69 -7.163 21.815 6.475 1.00 0.00 C ATOM 1078 C GLY A 69 -7.225 20.701 5.429 1.00 0.00 C ATOM 1079 O GLY A 69 -6.194 20.253 4.931 1.00 0.00 O ATOM 0 H GLY A 69 -9.158 22.195 6.990 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -7.128 22.784 5.977 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -6.246 21.722 7.057 1.00 0.00 H new ATOM 1083 N ALA A 70 -8.446 20.285 5.126 1.00 0.00 N ATOM 1084 CA ALA A 70 -8.657 19.231 4.148 1.00 0.00 C ATOM 1085 C ALA A 70 -8.964 19.859 2.787 1.00 0.00 C ATOM 1086 O ALA A 70 -9.192 21.064 2.692 1.00 0.00 O ATOM 1087 CB ALA A 70 -9.776 18.305 4.628 1.00 0.00 C ATOM 0 H ALA A 70 -9.300 20.659 5.541 1.00 0.00 H new ATOM 0 HA ALA A 70 -7.758 18.625 4.037 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -9.934 17.515 3.894 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -9.497 17.862 5.584 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -10.696 18.878 4.748 1.00 0.00 H new ATOM 1093 N PRO A 71 -8.960 18.991 1.740 1.00 0.00 N ATOM 1094 CA PRO A 71 -9.235 19.448 0.388 1.00 0.00 C ATOM 1095 C PRO A 71 -10.728 19.727 0.196 1.00 0.00 C ATOM 1096 O PRO A 71 -11.566 19.129 0.870 1.00 0.00 O ATOM 1097 CB PRO A 71 -8.717 18.341 -0.515 1.00 0.00 C ATOM 1098 CG PRO A 71 -8.596 17.107 0.366 1.00 0.00 C ATOM 1099 CD PRO A 71 -8.695 17.558 1.814 1.00 0.00 C ATOM 0 HA PRO A 71 -8.746 20.394 0.157 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -9.400 18.163 -1.345 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -7.753 18.609 -0.947 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -9.386 16.393 0.134 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -7.647 16.602 0.187 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -9.495 17.034 2.338 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -7.772 17.354 2.356 1.00 0.00 H new ATOM 1107 N LYS A 72 -11.014 20.635 -0.725 1.00 0.00 N ATOM 1108 CA LYS A 72 -12.390 21.000 -1.013 1.00 0.00 C ATOM 1109 C LYS A 72 -12.919 20.122 -2.149 1.00 0.00 C ATOM 1110 O LYS A 72 -13.599 20.610 -3.051 1.00 0.00 O ATOM 1111 CB LYS A 72 -12.499 22.500 -1.294 1.00 0.00 C ATOM 1112 CG LYS A 72 -12.967 23.259 -0.050 1.00 0.00 C ATOM 1113 CD LYS A 72 -14.323 23.924 -0.291 1.00 0.00 C ATOM 1114 CE LYS A 72 -15.279 23.657 0.873 1.00 0.00 C ATOM 1115 NZ LYS A 72 -16.671 23.977 0.484 1.00 0.00 N ATOM 0 H LYS A 72 -10.316 21.129 -1.281 1.00 0.00 H new ATOM 0 HA LYS A 72 -13.023 20.815 -0.145 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -11.531 22.884 -1.616 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -13.198 22.670 -2.113 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -13.040 22.572 0.793 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -12.229 24.016 0.218 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -14.188 24.998 -0.416 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -14.757 23.547 -1.217 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -15.211 22.612 1.175 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -14.989 24.258 1.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -17.307 23.790 1.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -16.735 24.980 0.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -16.950 23.386 -0.325 1.00 0.00 H new ATOM 1129 N THR A 73 -12.586 18.842 -2.069 1.00 0.00 N ATOM 1130 CA THR A 73 -13.019 17.892 -3.079 1.00 0.00 C ATOM 1131 C THR A 73 -13.388 16.556 -2.431 1.00 0.00 C ATOM 1132 O THR A 73 -14.532 16.114 -2.520 1.00 0.00 O ATOM 1133 CB THR A 73 -11.908 17.773 -4.124 1.00 0.00 C ATOM 1134 OG1 THR A 73 -10.706 17.834 -3.361 1.00 0.00 O ATOM 1135 CG2 THR A 73 -11.831 18.998 -5.038 1.00 0.00 C ATOM 0 H THR A 73 -12.021 18.441 -1.320 1.00 0.00 H new ATOM 0 HA THR A 73 -13.923 18.235 -3.582 1.00 0.00 H new ATOM 0 HB THR A 73 -12.071 16.879 -4.727 1.00 0.00 H new ATOM 0 HG1 THR A 73 -9.934 17.762 -3.960 1.00 0.00 H new ATOM 0 HG21 THR A 73 -11.027 18.863 -5.761 1.00 0.00 H new ATOM 0 HG22 THR A 73 -12.777 19.118 -5.566 1.00 0.00 H new ATOM 0 HG23 THR A 73 -11.634 19.887 -4.439 1.00 0.00 H new ATOM 1143 N VAL A 74 -12.397 15.950 -1.793 1.00 0.00 N ATOM 1144 CA VAL A 74 -12.603 14.674 -1.130 1.00 0.00 C ATOM 1145 C VAL A 74 -13.888 14.736 -0.301 1.00 0.00 C ATOM 1146 O VAL A 74 -14.342 15.818 0.066 1.00 0.00 O ATOM 1147 CB VAL A 74 -11.372 14.312 -0.298 1.00 0.00 C ATOM 1148 CG1 VAL A 74 -11.669 13.140 0.640 1.00 0.00 C ATOM 1149 CG2 VAL A 74 -10.173 14.003 -1.197 1.00 0.00 C ATOM 0 H VAL A 74 -11.449 16.320 -1.721 1.00 0.00 H new ATOM 0 HA VAL A 74 -12.728 13.878 -1.864 1.00 0.00 H new ATOM 0 HB VAL A 74 -11.117 15.176 0.315 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -10.777 12.903 1.220 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -12.480 13.411 1.316 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -11.962 12.269 0.053 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -9.311 13.749 -0.580 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -10.414 13.163 -1.848 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -9.939 14.877 -1.804 1.00 0.00 H new ATOM 1159 N ASP A 75 -14.438 13.561 -0.031 1.00 0.00 N ATOM 1160 CA ASP A 75 -15.661 13.468 0.747 1.00 0.00 C ATOM 1161 C ASP A 75 -15.330 12.958 2.151 1.00 0.00 C ATOM 1162 O ASP A 75 -14.191 12.583 2.426 1.00 0.00 O ATOM 1163 CB ASP A 75 -16.647 12.488 0.109 1.00 0.00 C ATOM 1164 CG ASP A 75 -18.001 13.090 -0.274 1.00 0.00 C ATOM 1165 OD1 ASP A 75 -18.358 14.119 0.339 1.00 0.00 O ATOM 1166 OD2 ASP A 75 -18.647 12.508 -1.171 1.00 0.00 O ATOM 0 H ASP A 75 -14.059 12.665 -0.338 1.00 0.00 H new ATOM 0 HA ASP A 75 -16.112 14.460 0.785 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -16.189 12.065 -0.785 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -16.816 11.663 0.801 1.00 0.00 H new ATOM 1171 N GLU A 76 -16.345 12.961 3.002 1.00 0.00 N ATOM 1172 CA GLU A 76 -16.176 12.503 4.371 1.00 0.00 C ATOM 1173 C GLU A 76 -16.149 10.974 4.419 1.00 0.00 C ATOM 1174 O GLU A 76 -15.578 10.389 5.338 1.00 0.00 O ATOM 1175 CB GLU A 76 -17.276 13.062 5.275 1.00 0.00 C ATOM 1176 CG GLU A 76 -18.535 12.194 5.207 1.00 0.00 C ATOM 1177 CD GLU A 76 -19.786 13.019 5.515 1.00 0.00 C ATOM 1178 OE1 GLU A 76 -20.293 13.657 4.567 1.00 0.00 O ATOM 1179 OE2 GLU A 76 -20.207 12.993 6.692 1.00 0.00 O ATOM 0 H GLU A 76 -17.288 13.273 2.770 1.00 0.00 H new ATOM 0 HA GLU A 76 -15.222 12.875 4.744 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -16.918 13.109 6.303 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -17.516 14.082 4.974 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -18.622 11.751 4.215 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -18.453 11.372 5.918 1.00 0.00 H new ATOM 1186 N LYS A 77 -16.773 10.371 3.419 1.00 0.00 N ATOM 1187 CA LYS A 77 -16.828 8.921 3.336 1.00 0.00 C ATOM 1188 C LYS A 77 -15.731 8.427 2.392 1.00 0.00 C ATOM 1189 O LYS A 77 -16.001 7.666 1.464 1.00 0.00 O ATOM 1190 CB LYS A 77 -18.233 8.460 2.941 1.00 0.00 C ATOM 1191 CG LYS A 77 -19.241 8.763 4.051 1.00 0.00 C ATOM 1192 CD LYS A 77 -20.545 7.991 3.833 1.00 0.00 C ATOM 1193 CE LYS A 77 -21.704 8.946 3.540 1.00 0.00 C ATOM 1194 NZ LYS A 77 -22.986 8.206 3.498 1.00 0.00 N ATOM 0 H LYS A 77 -17.245 10.860 2.659 1.00 0.00 H new ATOM 0 HA LYS A 77 -16.634 8.476 4.312 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -18.538 8.959 2.021 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -18.224 7.390 2.735 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -18.814 8.497 5.018 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -19.448 9.833 4.078 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -20.425 7.294 3.004 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -20.773 7.397 4.718 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -21.749 9.720 4.307 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -21.536 9.450 2.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -23.763 8.868 3.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -22.946 7.484 2.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -23.151 7.745 4.416 1.00 0.00 H new ATOM 1208 N ALA A 78 -14.515 8.879 2.661 1.00 0.00 N ATOM 1209 CA ALA A 78 -13.375 8.492 1.847 1.00 0.00 C ATOM 1210 C ALA A 78 -12.120 8.450 2.722 1.00 0.00 C ATOM 1211 O ALA A 78 -11.353 7.490 2.667 1.00 0.00 O ATOM 1212 CB ALA A 78 -13.234 9.462 0.672 1.00 0.00 C ATOM 0 H ALA A 78 -14.294 9.510 3.431 1.00 0.00 H new ATOM 0 HA ALA A 78 -13.521 7.495 1.431 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -12.379 9.172 0.061 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -14.139 9.433 0.066 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -13.083 10.473 1.051 1.00 0.00 H new ATOM 1218 N PHE A 79 -11.950 9.503 3.508 1.00 0.00 N ATOM 1219 CA PHE A 79 -10.801 9.598 4.393 1.00 0.00 C ATOM 1220 C PHE A 79 -10.613 8.304 5.188 1.00 0.00 C ATOM 1221 O PHE A 79 -11.571 7.763 5.736 1.00 0.00 O ATOM 1222 CB PHE A 79 -11.081 10.745 5.366 1.00 0.00 C ATOM 1223 CG PHE A 79 -11.075 12.129 4.715 1.00 0.00 C ATOM 1224 CD1 PHE A 79 -9.908 12.818 4.591 1.00 0.00 C ATOM 1225 CD2 PHE A 79 -12.236 12.672 4.260 1.00 0.00 C ATOM 1226 CE1 PHE A 79 -9.903 14.103 3.987 1.00 0.00 C ATOM 1227 CE2 PHE A 79 -12.231 13.957 3.656 1.00 0.00 C ATOM 1228 CZ PHE A 79 -11.064 14.645 3.532 1.00 0.00 C ATOM 0 H PHE A 79 -12.588 10.297 3.551 1.00 0.00 H new ATOM 0 HA PHE A 79 -9.895 9.770 3.811 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -12.050 10.580 5.836 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -10.334 10.725 6.160 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -8.986 12.387 4.952 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -13.162 12.125 4.358 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -8.977 14.650 3.889 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -13.153 14.388 3.295 1.00 0.00 H new ATOM 0 HZ PHE A 79 -11.060 15.622 3.072 1.00 0.00 H new ATOM 1238 N PHE A 80 -9.370 7.846 5.225 1.00 0.00 N ATOM 1239 CA PHE A 80 -9.043 6.626 5.943 1.00 0.00 C ATOM 1240 C PHE A 80 -7.625 6.689 6.514 1.00 0.00 C ATOM 1241 O PHE A 80 -6.675 6.990 5.794 1.00 0.00 O ATOM 1242 CB PHE A 80 -9.124 5.478 4.935 1.00 0.00 C ATOM 1243 CG PHE A 80 -8.065 5.542 3.833 1.00 0.00 C ATOM 1244 CD1 PHE A 80 -8.207 6.419 2.803 1.00 0.00 C ATOM 1245 CD2 PHE A 80 -6.981 4.722 3.883 1.00 0.00 C ATOM 1246 CE1 PHE A 80 -7.224 6.479 1.780 1.00 0.00 C ATOM 1247 CE2 PHE A 80 -5.998 4.782 2.860 1.00 0.00 C ATOM 1248 CZ PHE A 80 -6.140 5.659 1.830 1.00 0.00 C ATOM 0 H PHE A 80 -8.577 8.298 4.769 1.00 0.00 H new ATOM 0 HA PHE A 80 -9.734 6.487 6.774 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -9.023 4.532 5.468 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -10.112 5.481 4.476 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -9.068 7.070 2.763 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -6.868 4.025 4.701 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -7.337 7.176 0.962 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -5.137 4.131 2.900 1.00 0.00 H new ATOM 0 HZ PHE A 80 -5.392 5.704 1.052 1.00 0.00 H new ATOM 1258 N ASP A 81 -7.528 6.400 7.804 1.00 0.00 N ATOM 1259 CA ASP A 81 -6.241 6.420 8.480 1.00 0.00 C ATOM 1260 C ASP A 81 -5.601 5.034 8.389 1.00 0.00 C ATOM 1261 O ASP A 81 -6.262 4.024 8.627 1.00 0.00 O ATOM 1262 CB ASP A 81 -6.403 6.771 9.960 1.00 0.00 C ATOM 1263 CG ASP A 81 -5.699 8.056 10.401 1.00 0.00 C ATOM 1264 OD1 ASP A 81 -5.652 8.990 9.572 1.00 0.00 O ATOM 1265 OD2 ASP A 81 -5.223 8.074 11.557 1.00 0.00 O ATOM 0 H ASP A 81 -8.319 6.151 8.398 1.00 0.00 H new ATOM 0 HA ASP A 81 -5.617 7.172 7.997 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -7.466 6.863 10.182 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -6.023 5.943 10.558 1.00 0.00 H new ATOM 1270 N VAL A 82 -4.322 5.029 8.044 1.00 0.00 N ATOM 1271 CA VAL A 82 -3.584 3.784 7.920 1.00 0.00 C ATOM 1272 C VAL A 82 -2.648 3.627 9.119 1.00 0.00 C ATOM 1273 O VAL A 82 -1.689 4.384 9.266 1.00 0.00 O ATOM 1274 CB VAL A 82 -2.849 3.743 6.578 1.00 0.00 C ATOM 1275 CG1 VAL A 82 -1.931 2.522 6.493 1.00 0.00 C ATOM 1276 CG2 VAL A 82 -3.837 3.768 5.410 1.00 0.00 C ATOM 0 H VAL A 82 -3.777 5.869 7.846 1.00 0.00 H new ATOM 0 HA VAL A 82 -4.266 2.934 7.929 1.00 0.00 H new ATOM 0 HB VAL A 82 -2.227 4.636 6.510 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -1.421 2.517 5.530 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -1.193 2.565 7.294 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -2.524 1.613 6.594 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -3.288 3.738 4.469 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -4.497 2.903 5.473 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -4.431 4.681 5.455 1.00 0.00 H new ATOM 1286 N LYS A 83 -2.959 2.641 9.948 1.00 0.00 N ATOM 1287 CA LYS A 83 -2.158 2.376 11.130 1.00 0.00 C ATOM 1288 C LYS A 83 -1.021 1.419 10.766 1.00 0.00 C ATOM 1289 O LYS A 83 -1.262 0.332 10.244 1.00 0.00 O ATOM 1290 CB LYS A 83 -3.041 1.874 12.275 1.00 0.00 C ATOM 1291 CG LYS A 83 -3.810 3.029 12.920 1.00 0.00 C ATOM 1292 CD LYS A 83 -4.892 2.505 13.867 1.00 0.00 C ATOM 1293 CE LYS A 83 -5.218 3.536 14.949 1.00 0.00 C ATOM 1294 NZ LYS A 83 -5.066 2.941 16.296 1.00 0.00 N ATOM 0 H LYS A 83 -3.755 2.016 9.824 1.00 0.00 H new ATOM 0 HA LYS A 83 -1.698 3.296 11.492 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -3.743 1.130 11.899 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -2.424 1.379 13.025 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -3.119 3.669 13.469 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -4.267 3.644 12.145 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -5.793 2.269 13.301 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -4.556 1.578 14.332 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -4.558 4.398 14.849 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -6.238 3.899 14.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -5.291 3.655 17.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -5.714 2.133 16.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -4.086 2.617 16.424 1.00 0.00 H new ATOM 1308 N THR A 84 0.195 1.858 11.057 1.00 0.00 N ATOM 1309 CA THR A 84 1.370 1.055 10.767 1.00 0.00 C ATOM 1310 C THR A 84 2.295 1.003 11.984 1.00 0.00 C ATOM 1311 O THR A 84 1.952 1.511 13.051 1.00 0.00 O ATOM 1312 CB THR A 84 2.041 1.631 9.518 1.00 0.00 C ATOM 1313 OG1 THR A 84 1.805 3.033 9.613 1.00 0.00 O ATOM 1314 CG2 THR A 84 1.328 1.220 8.228 1.00 0.00 C ATOM 0 H THR A 84 0.391 2.760 11.491 1.00 0.00 H new ATOM 0 HA THR A 84 1.099 0.020 10.560 1.00 0.00 H new ATOM 0 HB THR A 84 3.079 1.302 9.479 1.00 0.00 H new ATOM 0 HG1 THR A 84 2.421 3.425 10.267 1.00 0.00 H new ATOM 0 HG21 THR A 84 1.844 1.655 7.372 1.00 0.00 H new ATOM 0 HG22 THR A 84 1.332 0.134 8.140 1.00 0.00 H new ATOM 0 HG23 THR A 84 0.299 1.578 8.251 1.00 0.00 H new ATOM 1322 N THR A 85 3.450 0.386 11.784 1.00 0.00 N ATOM 1323 CA THR A 85 4.427 0.262 12.853 1.00 0.00 C ATOM 1324 C THR A 85 5.196 1.573 13.027 1.00 0.00 C ATOM 1325 O THR A 85 5.315 2.084 14.140 1.00 0.00 O ATOM 1326 CB THR A 85 5.328 -0.933 12.533 1.00 0.00 C ATOM 1327 OG1 THR A 85 5.980 -0.562 11.321 1.00 0.00 O ATOM 1328 CG2 THR A 85 4.531 -2.184 12.160 1.00 0.00 C ATOM 0 H THR A 85 3.732 -0.033 10.898 1.00 0.00 H new ATOM 0 HA THR A 85 3.943 0.076 13.812 1.00 0.00 H new ATOM 0 HB THR A 85 5.962 -1.150 13.393 1.00 0.00 H new ATOM 0 HG1 THR A 85 6.708 -1.191 11.135 1.00 0.00 H new ATOM 0 HG21 THR A 85 5.218 -3.002 11.943 1.00 0.00 H new ATOM 0 HG22 THR A 85 3.884 -2.465 12.991 1.00 0.00 H new ATOM 0 HG23 THR A 85 3.922 -1.978 11.280 1.00 0.00 H new ATOM 1336 N ARG A 86 5.699 2.080 11.911 1.00 0.00 N ATOM 1337 CA ARG A 86 6.453 3.322 11.927 1.00 0.00 C ATOM 1338 C ARG A 86 5.619 4.442 12.552 1.00 0.00 C ATOM 1339 O ARG A 86 5.921 4.906 13.650 1.00 0.00 O ATOM 1340 CB ARG A 86 6.867 3.733 10.512 1.00 0.00 C ATOM 1341 CG ARG A 86 8.380 3.604 10.324 1.00 0.00 C ATOM 1342 CD ARG A 86 8.902 4.657 9.345 1.00 0.00 C ATOM 1343 NE ARG A 86 10.163 4.191 8.725 1.00 0.00 N ATOM 1344 CZ ARG A 86 10.252 3.136 7.904 1.00 0.00 C ATOM 1345 NH1 ARG A 86 9.154 2.431 7.599 1.00 0.00 N ATOM 1346 NH2 ARG A 86 11.438 2.786 7.389 1.00 0.00 N ATOM 0 H ARG A 86 5.599 1.653 10.990 1.00 0.00 H new ATOM 0 HA ARG A 86 7.351 3.157 12.523 1.00 0.00 H new ATOM 0 HB2 ARG A 86 6.352 3.108 9.783 1.00 0.00 H new ATOM 0 HB3 ARG A 86 6.560 4.762 10.324 1.00 0.00 H new ATOM 0 HG2 ARG A 86 8.881 3.716 11.286 1.00 0.00 H new ATOM 0 HG3 ARG A 86 8.621 2.607 9.954 1.00 0.00 H new ATOM 0 HD2 ARG A 86 8.157 4.849 8.573 1.00 0.00 H new ATOM 0 HD3 ARG A 86 9.070 5.599 9.867 1.00 0.00 H new ATOM 0 HE ARG A 86 11.018 4.706 8.936 1.00 0.00 H new ATOM 0 HH11 ARG A 86 8.251 2.698 7.992 1.00 0.00 H new ATOM 0 HH12 ARG A 86 9.221 1.628 6.974 1.00 0.00 H new ATOM 0 HH21 ARG A 86 12.274 3.323 7.622 1.00 0.00 H new ATOM 0 HH22 ARG A 86 11.506 1.983 6.764 1.00 0.00 H new ATOM 1360 N ARG A 87 4.586 4.843 11.826 1.00 0.00 N ATOM 1361 CA ARG A 87 3.706 5.899 12.296 1.00 0.00 C ATOM 1362 C ARG A 87 2.372 5.850 11.549 1.00 0.00 C ATOM 1363 O ARG A 87 2.261 5.199 10.512 1.00 0.00 O ATOM 1364 CB ARG A 87 4.344 7.276 12.097 1.00 0.00 C ATOM 1365 CG ARG A 87 4.324 7.682 10.622 1.00 0.00 C ATOM 1366 CD ARG A 87 5.352 8.779 10.341 1.00 0.00 C ATOM 1367 NE ARG A 87 4.986 9.513 9.109 1.00 0.00 N ATOM 1368 CZ ARG A 87 5.832 10.289 8.418 1.00 0.00 C ATOM 1369 NH1 ARG A 87 7.097 10.438 8.833 1.00 0.00 N ATOM 1370 NH2 ARG A 87 5.412 10.917 7.311 1.00 0.00 N ATOM 0 H ARG A 87 4.339 4.455 10.915 1.00 0.00 H new ATOM 0 HA ARG A 87 3.536 5.740 13.361 1.00 0.00 H new ATOM 0 HB2 ARG A 87 3.808 8.018 12.689 1.00 0.00 H new ATOM 0 HB3 ARG A 87 5.372 7.260 12.460 1.00 0.00 H new ATOM 0 HG2 ARG A 87 4.535 6.813 9.999 1.00 0.00 H new ATOM 0 HG3 ARG A 87 3.328 8.034 10.352 1.00 0.00 H new ATOM 0 HD2 ARG A 87 5.400 9.468 11.184 1.00 0.00 H new ATOM 0 HD3 ARG A 87 6.344 8.340 10.231 1.00 0.00 H new ATOM 0 HE ARG A 87 4.030 9.422 8.765 1.00 0.00 H new ATOM 0 HH11 ARG A 87 7.417 9.960 9.676 1.00 0.00 H new ATOM 0 HH12 ARG A 87 7.740 11.029 8.306 1.00 0.00 H new ATOM 0 HH21 ARG A 87 4.449 10.804 6.995 1.00 0.00 H new ATOM 0 HH22 ARG A 87 6.056 11.508 6.785 1.00 0.00 H new ATOM 1384 N VAL A 88 1.393 6.548 12.106 1.00 0.00 N ATOM 1385 CA VAL A 88 0.070 6.592 11.506 1.00 0.00 C ATOM 1386 C VAL A 88 0.086 7.557 10.319 1.00 0.00 C ATOM 1387 O VAL A 88 0.640 8.651 10.411 1.00 0.00 O ATOM 1388 CB VAL A 88 -0.972 6.961 12.563 1.00 0.00 C ATOM 1389 CG1 VAL A 88 -2.170 7.671 11.928 1.00 0.00 C ATOM 1390 CG2 VAL A 88 -1.420 5.726 13.347 1.00 0.00 C ATOM 0 H VAL A 88 1.489 7.088 12.966 1.00 0.00 H new ATOM 0 HA VAL A 88 -0.209 5.610 11.123 1.00 0.00 H new ATOM 0 HB VAL A 88 -0.506 7.652 13.265 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -2.896 7.922 12.701 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -1.833 8.584 11.436 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -2.635 7.013 11.194 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -2.161 6.017 14.092 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -1.859 5.000 12.663 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -0.560 5.280 13.846 1.00 0.00 H new ATOM 1400 N TYR A 89 -0.530 7.117 9.231 1.00 0.00 N ATOM 1401 CA TYR A 89 -0.594 7.928 8.027 1.00 0.00 C ATOM 1402 C TYR A 89 -2.004 8.481 7.813 1.00 0.00 C ATOM 1403 O TYR A 89 -2.977 7.925 8.322 1.00 0.00 O ATOM 1404 CB TYR A 89 -0.245 6.992 6.869 1.00 0.00 C ATOM 1405 CG TYR A 89 1.151 6.372 6.968 1.00 0.00 C ATOM 1406 CD1 TYR A 89 2.242 7.171 7.243 1.00 0.00 C ATOM 1407 CD2 TYR A 89 1.318 5.015 6.783 1.00 0.00 C ATOM 1408 CE1 TYR A 89 3.556 6.589 7.337 1.00 0.00 C ATOM 1409 CE2 TYR A 89 2.632 4.433 6.876 1.00 0.00 C ATOM 1410 CZ TYR A 89 3.686 5.248 7.149 1.00 0.00 C ATOM 1411 OH TYR A 89 4.926 4.698 7.237 1.00 0.00 O ATOM 0 H TYR A 89 -0.989 6.209 9.158 1.00 0.00 H new ATOM 0 HA TYR A 89 0.087 8.776 8.099 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -0.984 6.192 6.827 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -0.320 7.545 5.933 1.00 0.00 H new ATOM 0 HD1 TYR A 89 2.110 8.233 7.388 1.00 0.00 H new ATOM 0 HD2 TYR A 89 0.464 4.390 6.569 1.00 0.00 H new ATOM 0 HE1 TYR A 89 4.418 7.203 7.552 1.00 0.00 H new ATOM 0 HE2 TYR A 89 2.777 3.373 6.732 1.00 0.00 H new ATOM 0 HH TYR A 89 4.867 3.732 7.081 1.00 0.00 H new ATOM 1421 N ASN A 90 -2.071 9.568 7.059 1.00 0.00 N ATOM 1422 CA ASN A 90 -3.346 10.203 6.772 1.00 0.00 C ATOM 1423 C ASN A 90 -3.560 10.245 5.257 1.00 0.00 C ATOM 1424 O ASN A 90 -3.052 11.137 4.579 1.00 0.00 O ATOM 1425 CB ASN A 90 -3.376 11.641 7.293 1.00 0.00 C ATOM 1426 CG ASN A 90 -4.122 11.725 8.626 1.00 0.00 C ATOM 1427 OD1 ASN A 90 -5.272 12.128 8.699 1.00 0.00 O ATOM 1428 ND2 ASN A 90 -3.407 11.323 9.673 1.00 0.00 N ATOM 0 H ASN A 90 -1.263 10.025 6.638 1.00 0.00 H new ATOM 0 HA ASN A 90 -4.128 9.625 7.264 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -2.357 12.008 7.418 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -3.859 12.287 6.560 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -3.816 11.341 10.607 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -2.449 10.997 9.542 1.00 0.00 H new ATOM 1435 N PHE A 91 -4.312 9.269 4.771 1.00 0.00 N ATOM 1436 CA PHE A 91 -4.599 9.183 3.349 1.00 0.00 C ATOM 1437 C PHE A 91 -6.091 9.390 3.077 1.00 0.00 C ATOM 1438 O PHE A 91 -6.912 9.279 3.986 1.00 0.00 O ATOM 1439 CB PHE A 91 -4.201 7.777 2.896 1.00 0.00 C ATOM 1440 CG PHE A 91 -2.693 7.518 2.923 1.00 0.00 C ATOM 1441 CD1 PHE A 91 -1.827 8.506 2.571 1.00 0.00 C ATOM 1442 CD2 PHE A 91 -2.219 6.300 3.300 1.00 0.00 C ATOM 1443 CE1 PHE A 91 -0.428 8.266 2.597 1.00 0.00 C ATOM 1444 CE2 PHE A 91 -0.819 6.061 3.325 1.00 0.00 C ATOM 1445 CZ PHE A 91 0.047 7.048 2.973 1.00 0.00 C ATOM 0 H PHE A 91 -4.731 8.531 5.336 1.00 0.00 H new ATOM 0 HA PHE A 91 -4.048 9.955 2.811 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -4.696 7.046 3.536 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -4.569 7.615 1.883 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -2.204 9.473 2.272 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -2.906 5.515 3.580 1.00 0.00 H new ATOM 0 HE1 PHE A 91 0.260 9.051 2.318 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -0.442 5.094 3.624 1.00 0.00 H new ATOM 0 HZ PHE A 91 1.111 6.865 2.992 1.00 0.00 H new ATOM 1455 N CYS A 92 -6.395 9.686 1.822 1.00 0.00 N ATOM 1456 CA CYS A 92 -7.774 9.909 1.419 1.00 0.00 C ATOM 1457 C CYS A 92 -7.840 9.869 -0.109 1.00 0.00 C ATOM 1458 O CYS A 92 -6.998 10.457 -0.786 1.00 0.00 O ATOM 1459 CB CYS A 92 -8.321 11.223 1.980 1.00 0.00 C ATOM 1460 SG CYS A 92 -7.043 12.529 1.875 1.00 0.00 S ATOM 0 H CYS A 92 -5.711 9.777 1.071 1.00 0.00 H new ATOM 0 HA CYS A 92 -8.408 9.123 1.830 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -9.208 11.525 1.423 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -8.628 11.086 3.017 1.00 0.00 H new ATOM 0 HG CYS A 92 -7.286 13.447 2.763 1.00 0.00 H new ATOM 1466 N ALA A 93 -8.848 9.169 -0.607 1.00 0.00 N ATOM 1467 CA ALA A 93 -9.036 9.044 -2.043 1.00 0.00 C ATOM 1468 C ALA A 93 -9.628 10.344 -2.590 1.00 0.00 C ATOM 1469 O ALA A 93 -9.709 11.342 -1.876 1.00 0.00 O ATOM 1470 CB ALA A 93 -9.919 7.831 -2.339 1.00 0.00 C ATOM 0 H ALA A 93 -9.544 8.682 -0.042 1.00 0.00 H new ATOM 0 HA ALA A 93 -8.081 8.881 -2.542 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -10.060 7.738 -3.416 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -9.440 6.930 -1.956 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -10.888 7.960 -1.856 1.00 0.00 H new ATOM 1476 N GLN A 94 -10.025 10.290 -3.853 1.00 0.00 N ATOM 1477 CA GLN A 94 -10.608 11.451 -4.504 1.00 0.00 C ATOM 1478 C GLN A 94 -12.135 11.367 -4.473 1.00 0.00 C ATOM 1479 O GLN A 94 -12.819 12.371 -4.664 1.00 0.00 O ATOM 1480 CB GLN A 94 -10.095 11.589 -5.939 1.00 0.00 C ATOM 1481 CG GLN A 94 -9.031 12.684 -6.039 1.00 0.00 C ATOM 1482 CD GLN A 94 -9.394 13.705 -7.119 1.00 0.00 C ATOM 1483 OE1 GLN A 94 -8.772 13.787 -8.166 1.00 0.00 O ATOM 1484 NE2 GLN A 94 -10.432 14.475 -6.809 1.00 0.00 N ATOM 0 H GLN A 94 -9.954 9.461 -4.443 1.00 0.00 H new ATOM 0 HA GLN A 94 -10.302 12.342 -3.956 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -9.677 10.639 -6.272 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -10.926 11.823 -6.605 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -8.930 13.187 -5.077 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -8.064 12.236 -6.267 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -10.908 14.354 -5.915 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -10.753 15.187 -7.465 1.00 0.00 H new ATOM 1493 N ASP A 95 -12.624 10.160 -4.232 1.00 0.00 N ATOM 1494 CA ASP A 95 -14.058 9.932 -4.173 1.00 0.00 C ATOM 1495 C ASP A 95 -14.391 9.126 -2.916 1.00 0.00 C ATOM 1496 O ASP A 95 -13.500 8.778 -2.143 1.00 0.00 O ATOM 1497 CB ASP A 95 -14.539 9.135 -5.387 1.00 0.00 C ATOM 1498 CG ASP A 95 -13.883 9.520 -6.715 1.00 0.00 C ATOM 1499 OD1 ASP A 95 -13.439 10.684 -6.812 1.00 0.00 O ATOM 1500 OD2 ASP A 95 -13.840 8.641 -7.603 1.00 0.00 O ATOM 0 H ASP A 95 -12.053 9.329 -4.075 1.00 0.00 H new ATOM 0 HA ASP A 95 -14.553 10.903 -4.159 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -14.357 8.076 -5.203 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -15.617 9.262 -5.482 1.00 0.00 H new ATOM 1505 N VAL A 96 -15.677 8.851 -2.751 1.00 0.00 N ATOM 1506 CA VAL A 96 -16.139 8.093 -1.601 1.00 0.00 C ATOM 1507 C VAL A 96 -15.849 6.607 -1.827 1.00 0.00 C ATOM 1508 O VAL A 96 -15.307 5.937 -0.949 1.00 0.00 O ATOM 1509 CB VAL A 96 -17.619 8.381 -1.344 1.00 0.00 C ATOM 1510 CG1 VAL A 96 -18.358 7.112 -0.915 1.00 0.00 C ATOM 1511 CG2 VAL A 96 -17.789 9.492 -0.306 1.00 0.00 C ATOM 0 H VAL A 96 -16.413 9.140 -3.395 1.00 0.00 H new ATOM 0 HA VAL A 96 -15.603 8.397 -0.702 1.00 0.00 H new ATOM 0 HB VAL A 96 -18.061 8.726 -2.279 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -19.408 7.345 -0.739 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -18.280 6.362 -1.702 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -17.913 6.724 0.002 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -18.851 9.677 -0.142 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -17.324 9.188 0.632 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -17.313 10.404 -0.668 1.00 0.00 H new ATOM 1521 N PRO A 97 -16.233 6.124 -3.038 1.00 0.00 N ATOM 1522 CA PRO A 97 -16.021 4.730 -3.390 1.00 0.00 C ATOM 1523 C PRO A 97 -14.549 4.464 -3.712 1.00 0.00 C ATOM 1524 O PRO A 97 -14.051 3.361 -3.492 1.00 0.00 O ATOM 1525 CB PRO A 97 -16.942 4.478 -4.572 1.00 0.00 C ATOM 1526 CG PRO A 97 -17.288 5.848 -5.131 1.00 0.00 C ATOM 1527 CD PRO A 97 -16.878 6.889 -4.102 1.00 0.00 C ATOM 0 HA PRO A 97 -16.252 4.049 -2.570 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -16.451 3.862 -5.325 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -17.840 3.945 -4.260 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -16.768 6.018 -6.074 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -18.356 5.917 -5.339 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -16.196 7.623 -4.531 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -17.742 7.438 -3.727 1.00 0.00 H new ATOM 1535 N SER A 98 -13.894 5.494 -4.228 1.00 0.00 N ATOM 1536 CA SER A 98 -12.489 5.385 -4.583 1.00 0.00 C ATOM 1537 C SER A 98 -11.655 5.093 -3.334 1.00 0.00 C ATOM 1538 O SER A 98 -10.615 4.440 -3.416 1.00 0.00 O ATOM 1539 CB SER A 98 -11.993 6.662 -5.265 1.00 0.00 C ATOM 1540 OG SER A 98 -12.411 6.737 -6.625 1.00 0.00 O ATOM 0 H SER A 98 -14.310 6.408 -4.409 1.00 0.00 H new ATOM 0 HA SER A 98 -12.377 4.561 -5.288 1.00 0.00 H new ATOM 0 HB2 SER A 98 -12.366 7.531 -4.723 1.00 0.00 H new ATOM 0 HB3 SER A 98 -10.905 6.699 -5.218 1.00 0.00 H new ATOM 0 HG SER A 98 -13.219 7.288 -6.689 1.00 0.00 H new ATOM 1546 N ALA A 99 -12.142 5.589 -2.206 1.00 0.00 N ATOM 1547 CA ALA A 99 -11.455 5.389 -0.941 1.00 0.00 C ATOM 1548 C ALA A 99 -11.680 3.953 -0.465 1.00 0.00 C ATOM 1549 O ALA A 99 -10.726 3.241 -0.156 1.00 0.00 O ATOM 1550 CB ALA A 99 -11.944 6.424 0.075 1.00 0.00 C ATOM 0 H ALA A 99 -13.005 6.129 -2.142 1.00 0.00 H new ATOM 0 HA ALA A 99 -10.381 5.532 -1.061 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -11.429 6.274 1.024 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -11.734 7.427 -0.297 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -13.018 6.309 0.223 1.00 0.00 H new ATOM 1556 N GLN A 100 -12.948 3.569 -0.422 1.00 0.00 N ATOM 1557 CA GLN A 100 -13.310 2.231 0.012 1.00 0.00 C ATOM 1558 C GLN A 100 -12.433 1.191 -0.689 1.00 0.00 C ATOM 1559 O GLN A 100 -11.971 0.239 -0.061 1.00 0.00 O ATOM 1560 CB GLN A 100 -14.794 1.956 -0.240 1.00 0.00 C ATOM 1561 CG GLN A 100 -15.673 2.940 0.535 1.00 0.00 C ATOM 1562 CD GLN A 100 -15.424 2.830 2.040 1.00 0.00 C ATOM 1563 OE1 GLN A 100 -15.021 1.800 2.555 1.00 0.00 O ATOM 1564 NE2 GLN A 100 -15.685 3.946 2.715 1.00 0.00 N ATOM 0 H GLN A 100 -13.737 4.162 -0.681 1.00 0.00 H new ATOM 0 HA GLN A 100 -13.138 2.159 1.086 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -15.006 2.035 -1.306 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -15.034 0.935 0.058 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -15.467 3.957 0.202 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -16.723 2.741 0.321 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -16.020 4.774 2.222 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -15.550 3.974 3.726 1.00 0.00 H new ATOM 1573 N GLN A 101 -12.231 1.407 -1.980 1.00 0.00 N ATOM 1574 CA GLN A 101 -11.417 0.500 -2.772 1.00 0.00 C ATOM 1575 C GLN A 101 -9.990 0.450 -2.223 1.00 0.00 C ATOM 1576 O GLN A 101 -9.363 -0.608 -2.211 1.00 0.00 O ATOM 1577 CB GLN A 101 -11.423 0.906 -4.247 1.00 0.00 C ATOM 1578 CG GLN A 101 -12.779 0.610 -4.892 1.00 0.00 C ATOM 1579 CD GLN A 101 -12.613 0.211 -6.360 1.00 0.00 C ATOM 1580 OE1 GLN A 101 -12.169 0.983 -7.193 1.00 0.00 O ATOM 1581 NE2 GLN A 101 -12.994 -1.035 -6.628 1.00 0.00 N ATOM 0 H GLN A 101 -12.617 2.197 -2.498 1.00 0.00 H new ATOM 0 HA GLN A 101 -11.847 -0.499 -2.702 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -11.198 1.969 -4.336 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -10.638 0.368 -4.779 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -13.277 -0.192 -4.348 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -13.419 1.489 -4.821 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -13.357 -1.629 -5.882 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -12.923 -1.397 -7.579 1.00 0.00 H new ATOM 1590 N TRP A 102 -9.519 1.607 -1.781 1.00 0.00 N ATOM 1591 CA TRP A 102 -8.178 1.707 -1.232 1.00 0.00 C ATOM 1592 C TRP A 102 -8.147 0.932 0.087 1.00 0.00 C ATOM 1593 O TRP A 102 -7.193 0.207 0.363 1.00 0.00 O ATOM 1594 CB TRP A 102 -7.758 3.170 -1.075 1.00 0.00 C ATOM 1595 CG TRP A 102 -7.082 3.760 -2.315 1.00 0.00 C ATOM 1596 CD1 TRP A 102 -7.571 4.671 -3.167 1.00 0.00 C ATOM 1597 CD2 TRP A 102 -5.764 3.440 -2.809 1.00 0.00 C ATOM 1598 NE1 TRP A 102 -6.670 4.961 -4.170 1.00 0.00 N ATOM 1599 CE2 TRP A 102 -5.536 4.189 -3.946 1.00 0.00 C ATOM 1600 CE3 TRP A 102 -4.797 2.549 -2.313 1.00 0.00 C ATOM 1601 CZ2 TRP A 102 -4.346 4.122 -4.682 1.00 0.00 C ATOM 1602 CZ3 TRP A 102 -3.615 2.493 -3.060 1.00 0.00 C ATOM 1603 CH2 TRP A 102 -3.369 3.240 -4.206 1.00 0.00 C ATOM 0 H TRP A 102 -10.042 2.483 -1.792 1.00 0.00 H new ATOM 0 HA TRP A 102 -7.449 1.266 -1.912 1.00 0.00 H new ATOM 0 HB2 TRP A 102 -8.638 3.766 -0.835 1.00 0.00 H new ATOM 0 HB3 TRP A 102 -7.077 3.253 -0.228 1.00 0.00 H new ATOM 0 HD1 TRP A 102 -8.548 5.122 -3.079 1.00 0.00 H new ATOM 0 HE1 TRP A 102 -6.810 5.621 -4.935 1.00 0.00 H new ATOM 0 HE3 TRP A 102 -4.954 1.954 -1.425 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 -4.191 4.719 -5.569 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 -2.839 1.822 -2.722 1.00 0.00 H new ATOM 0 HH2 TRP A 102 -2.428 3.140 -4.727 1.00 0.00 H new ATOM 1614 N VAL A 103 -9.203 1.112 0.867 1.00 0.00 N ATOM 1615 CA VAL A 103 -9.309 0.438 2.150 1.00 0.00 C ATOM 1616 C VAL A 103 -9.384 -1.073 1.923 1.00 0.00 C ATOM 1617 O VAL A 103 -8.512 -1.815 2.371 1.00 0.00 O ATOM 1618 CB VAL A 103 -10.505 0.986 2.931 1.00 0.00 C ATOM 1619 CG1 VAL A 103 -10.699 0.224 4.243 1.00 0.00 C ATOM 1620 CG2 VAL A 103 -10.354 2.487 3.185 1.00 0.00 C ATOM 0 H VAL A 103 -9.993 1.715 0.635 1.00 0.00 H new ATOM 0 HA VAL A 103 -8.425 0.631 2.758 1.00 0.00 H new ATOM 0 HB VAL A 103 -11.398 0.838 2.323 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -11.556 0.634 4.778 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -10.875 -0.830 4.029 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -9.805 0.325 4.858 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -11.218 2.851 3.742 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -9.447 2.669 3.762 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -10.289 3.013 2.232 1.00 0.00 H new ATOM 1630 N ASP A 104 -10.435 -1.483 1.227 1.00 0.00 N ATOM 1631 CA ASP A 104 -10.635 -2.892 0.935 1.00 0.00 C ATOM 1632 C ASP A 104 -9.312 -3.506 0.473 1.00 0.00 C ATOM 1633 O ASP A 104 -8.956 -4.608 0.889 1.00 0.00 O ATOM 1634 CB ASP A 104 -11.661 -3.083 -0.184 1.00 0.00 C ATOM 1635 CG ASP A 104 -12.768 -4.094 0.119 1.00 0.00 C ATOM 1636 OD1 ASP A 104 -13.524 -3.837 1.081 1.00 0.00 O ATOM 1637 OD2 ASP A 104 -12.834 -5.102 -0.618 1.00 0.00 O ATOM 0 H ASP A 104 -11.156 -0.864 0.857 1.00 0.00 H new ATOM 0 HA ASP A 104 -10.997 -3.376 1.842 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -12.120 -2.119 -0.404 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -11.138 -3.400 -1.086 1.00 0.00 H new ATOM 1642 N ARG A 105 -8.619 -2.766 -0.380 1.00 0.00 N ATOM 1643 CA ARG A 105 -7.343 -3.224 -0.903 1.00 0.00 C ATOM 1644 C ARG A 105 -6.339 -3.411 0.236 1.00 0.00 C ATOM 1645 O ARG A 105 -5.981 -4.538 0.574 1.00 0.00 O ATOM 1646 CB ARG A 105 -6.774 -2.229 -1.917 1.00 0.00 C ATOM 1647 CG ARG A 105 -7.058 -2.684 -3.350 1.00 0.00 C ATOM 1648 CD ARG A 105 -6.579 -1.641 -4.361 1.00 0.00 C ATOM 1649 NE ARG A 105 -7.043 -2.001 -5.719 1.00 0.00 N ATOM 1650 CZ ARG A 105 -6.571 -3.038 -6.424 1.00 0.00 C ATOM 1651 NH1 ARG A 105 -5.617 -3.822 -5.905 1.00 0.00 N ATOM 1652 NH2 ARG A 105 -7.052 -3.290 -7.649 1.00 0.00 N ATOM 0 H ARG A 105 -8.917 -1.852 -0.722 1.00 0.00 H new ATOM 0 HA ARG A 105 -7.513 -4.178 -1.403 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -7.211 -1.245 -1.751 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -5.699 -2.129 -1.770 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -6.560 -3.635 -3.539 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -8.127 -2.854 -3.476 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -6.958 -0.656 -4.087 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -5.491 -1.579 -4.344 1.00 0.00 H new ATOM 0 HE ARG A 105 -7.768 -1.423 -6.145 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -5.250 -3.630 -4.973 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -5.258 -4.611 -6.442 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -7.778 -2.692 -8.045 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -6.693 -4.079 -8.186 1.00 0.00 H new ATOM 1666 N ILE A 106 -5.913 -2.289 0.797 1.00 0.00 N ATOM 1667 CA ILE A 106 -4.957 -2.315 1.891 1.00 0.00 C ATOM 1668 C ILE A 106 -5.412 -3.335 2.936 1.00 0.00 C ATOM 1669 O ILE A 106 -4.610 -4.132 3.421 1.00 0.00 O ATOM 1670 CB ILE A 106 -4.750 -0.908 2.455 1.00 0.00 C ATOM 1671 CG1 ILE A 106 -4.103 0.010 1.415 1.00 0.00 C ATOM 1672 CG2 ILE A 106 -3.949 -0.952 3.758 1.00 0.00 C ATOM 1673 CD1 ILE A 106 -4.607 1.447 1.563 1.00 0.00 C ATOM 0 H ILE A 106 -6.212 -1.356 0.514 1.00 0.00 H new ATOM 0 HA ILE A 106 -3.979 -2.638 1.534 1.00 0.00 H new ATOM 0 HB ILE A 106 -5.727 -0.488 2.692 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -3.019 -0.013 1.529 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -4.326 -0.356 0.413 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -3.816 0.061 4.138 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -4.486 -1.548 4.495 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -2.973 -1.400 3.570 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -4.132 2.078 0.812 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -5.688 1.470 1.425 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -4.361 1.818 2.558 1.00 0.00 H new ATOM 1685 N GLN A 107 -6.698 -3.278 3.252 1.00 0.00 N ATOM 1686 CA GLN A 107 -7.269 -4.187 4.230 1.00 0.00 C ATOM 1687 C GLN A 107 -7.102 -5.637 3.770 1.00 0.00 C ATOM 1688 O GLN A 107 -7.037 -6.549 4.591 1.00 0.00 O ATOM 1689 CB GLN A 107 -8.742 -3.860 4.488 1.00 0.00 C ATOM 1690 CG GLN A 107 -8.884 -2.790 5.572 1.00 0.00 C ATOM 1691 CD GLN A 107 -10.283 -2.818 6.190 1.00 0.00 C ATOM 1692 OE1 GLN A 107 -10.956 -3.835 6.220 1.00 0.00 O ATOM 1693 NE2 GLN A 107 -10.682 -1.647 6.679 1.00 0.00 N ATOM 0 H GLN A 107 -7.360 -2.616 2.847 1.00 0.00 H new ATOM 0 HA GLN A 107 -6.732 -4.061 5.170 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -9.208 -3.513 3.566 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -9.271 -4.763 4.792 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -8.136 -2.952 6.348 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -8.691 -1.806 5.144 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -10.068 -0.834 6.621 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -11.602 -1.562 7.112 1.00 0.00 H new ATOM 1702 N SER A 108 -7.036 -5.803 2.457 1.00 0.00 N ATOM 1703 CA SER A 108 -6.878 -7.125 1.877 1.00 0.00 C ATOM 1704 C SER A 108 -5.468 -7.653 2.154 1.00 0.00 C ATOM 1705 O SER A 108 -5.185 -8.828 1.925 1.00 0.00 O ATOM 1706 CB SER A 108 -7.149 -7.103 0.371 1.00 0.00 C ATOM 1707 OG SER A 108 -7.294 -8.415 -0.165 1.00 0.00 O ATOM 0 H SER A 108 -7.089 -5.043 1.779 1.00 0.00 H new ATOM 0 HA SER A 108 -7.607 -7.790 2.340 1.00 0.00 H new ATOM 0 HB2 SER A 108 -8.054 -6.529 0.174 1.00 0.00 H new ATOM 0 HB3 SER A 108 -6.331 -6.592 -0.137 1.00 0.00 H new ATOM 0 HG SER A 108 -6.717 -9.035 0.328 1.00 0.00 H new ATOM 1713 N CYS A 109 -4.622 -6.758 2.643 1.00 0.00 N ATOM 1714 CA CYS A 109 -3.249 -7.119 2.954 1.00 0.00 C ATOM 1715 C CYS A 109 -2.823 -6.353 4.208 1.00 0.00 C ATOM 1716 O CYS A 109 -2.091 -5.368 4.119 1.00 0.00 O ATOM 1717 CB CYS A 109 -2.313 -6.849 1.775 1.00 0.00 C ATOM 1718 SG CYS A 109 -1.423 -8.382 1.318 1.00 0.00 S ATOM 0 H CYS A 109 -4.861 -5.784 2.831 1.00 0.00 H new ATOM 0 HA CYS A 109 -3.186 -8.190 3.145 1.00 0.00 H new ATOM 0 HB2 CYS A 109 -2.885 -6.483 0.922 1.00 0.00 H new ATOM 0 HB3 CYS A 109 -1.599 -6.069 2.038 1.00 0.00 H new ATOM 0 HG CYS A 109 -0.633 -8.142 0.314 1.00 0.00 H new