USER MOD reduce.3.24.130724 H: found=0, std=0, add=687, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 689 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 10 TYR OH : rot -165:sc= 0.716 USER MOD Set 1.2: A 101 GLN : amide:sc= 0.633 K(o=1.3,f=-0.033) 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+ 179:sc= 0 (180deg=-0.000761) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot -50:sc= 0.7 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 HIS :FLIP no HE2:sc= -4.09! C(o=-6!,f=-4.1!) USER MOD Single : A 37 GLN : amide:sc= -2.63 K(o=-2.6,f=-8.9!) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 TYR OH : rot 180:sc= -0.213 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.0232 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= -0.416 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 46:sc= 0.828 USER MOD Single : A 85 THR OG1 : rot -160:sc=-0.00866 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 -166:sc= -1.01 USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 SER OG : rot -159:sc= -1.35 USER MOD Single : A 100 GLN : amide:sc= -0.447 K(o=-0.45,f=-1.9) USER MOD Single : A 107 GLN : amide:sc= -0.151 K(o=-0.15,f=-1.7!) USER MOD Single : A 108 SER OG : rot -40:sc= 0.00113 USER MOD Single : A 109 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 101 N TYR A 10 -3.458 -1.878 -7.838 1.00 0.00 N ATOM 102 CA TYR A 10 -4.398 -0.779 -7.973 1.00 0.00 C ATOM 103 C TYR A 10 -3.685 0.570 -7.863 1.00 0.00 C ATOM 104 O TYR A 10 -2.949 0.811 -6.907 1.00 0.00 O ATOM 105 CB TYR A 10 -5.381 -0.920 -6.809 1.00 0.00 C ATOM 106 CG TYR A 10 -6.620 -0.030 -6.930 1.00 0.00 C ATOM 107 CD1 TYR A 10 -6.526 1.323 -6.672 1.00 0.00 C ATOM 108 CD2 TYR A 10 -7.831 -0.580 -7.297 1.00 0.00 C ATOM 109 CE1 TYR A 10 -7.692 2.160 -6.786 1.00 0.00 C ATOM 110 CE2 TYR A 10 -8.997 0.257 -7.411 1.00 0.00 C ATOM 111 CZ TYR A 10 -8.870 1.586 -7.149 1.00 0.00 C ATOM 112 OH TYR A 10 -9.971 2.377 -7.257 1.00 0.00 O ATOM 0 HA TYR A 10 -4.892 -0.814 -8.944 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -5.699 -1.960 -6.739 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -4.864 -0.682 -5.879 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -5.578 1.754 -6.385 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -7.904 -1.638 -7.499 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -7.632 3.220 -6.588 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -9.951 -0.161 -7.698 1.00 0.00 H new ATOM 0 HH TYR A 10 -10.775 1.817 -7.284 1.00 0.00 H new ATOM 122 N GLU A 11 -3.928 1.415 -8.854 1.00 0.00 N ATOM 123 CA GLU A 11 -3.319 2.733 -8.880 1.00 0.00 C ATOM 124 C GLU A 11 -4.398 3.817 -8.890 1.00 0.00 C ATOM 125 O GLU A 11 -5.432 3.663 -9.539 1.00 0.00 O ATOM 126 CB GLU A 11 -2.383 2.881 -10.082 1.00 0.00 C ATOM 127 CG GLU A 11 -3.094 2.500 -11.381 1.00 0.00 C ATOM 128 CD GLU A 11 -2.959 1.002 -11.662 1.00 0.00 C ATOM 129 OE1 GLU A 11 -1.915 0.624 -12.235 1.00 0.00 O ATOM 130 OE2 GLU A 11 -3.903 0.269 -11.296 1.00 0.00 O ATOM 0 H GLU A 11 -4.539 1.212 -9.645 1.00 0.00 H new ATOM 0 HA GLU A 11 -2.720 2.852 -7.977 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -2.028 3.909 -10.146 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -1.506 2.249 -9.944 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -4.149 2.767 -11.314 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -2.673 3.068 -12.210 1.00 0.00 H new ATOM 137 N GLY A 12 -4.121 4.890 -8.164 1.00 0.00 N ATOM 138 CA GLY A 12 -5.056 6.000 -8.081 1.00 0.00 C ATOM 139 C GLY A 12 -4.479 7.141 -7.241 1.00 0.00 C ATOM 140 O GLY A 12 -3.483 6.961 -6.542 1.00 0.00 O ATOM 0 H GLY A 12 -3.262 5.015 -7.628 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -5.286 6.362 -9.083 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -5.993 5.659 -7.642 1.00 0.00 H new ATOM 144 N ILE A 13 -5.129 8.292 -7.338 1.00 0.00 N ATOM 145 CA ILE A 13 -4.693 9.463 -6.597 1.00 0.00 C ATOM 146 C ILE A 13 -4.905 9.222 -5.101 1.00 0.00 C ATOM 147 O ILE A 13 -5.926 8.667 -4.697 1.00 0.00 O ATOM 148 CB ILE A 13 -5.389 10.720 -7.122 1.00 0.00 C ATOM 149 CG1 ILE A 13 -4.733 11.209 -8.415 1.00 0.00 C ATOM 150 CG2 ILE A 13 -5.431 11.812 -6.052 1.00 0.00 C ATOM 151 CD1 ILE A 13 -3.494 12.056 -8.115 1.00 0.00 C ATOM 0 H ILE A 13 -5.955 8.438 -7.919 1.00 0.00 H new ATOM 0 HA ILE A 13 -3.627 9.632 -6.746 1.00 0.00 H new ATOM 0 HB ILE A 13 -6.421 10.465 -7.360 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -4.453 10.354 -9.031 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -5.449 11.796 -8.991 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -5.931 12.694 -6.452 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -5.978 11.448 -5.182 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -4.414 12.073 -5.758 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -3.047 12.391 -9.051 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -3.781 12.923 -7.520 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -2.770 11.459 -7.560 1.00 0.00 H new ATOM 163 N LEU A 14 -3.925 9.651 -4.320 1.00 0.00 N ATOM 164 CA LEU A 14 -3.992 9.489 -2.877 1.00 0.00 C ATOM 165 C LEU A 14 -3.204 10.616 -2.205 1.00 0.00 C ATOM 166 O LEU A 14 -2.000 10.747 -2.417 1.00 0.00 O ATOM 167 CB LEU A 14 -3.529 8.088 -2.473 1.00 0.00 C ATOM 168 CG LEU A 14 -4.618 7.016 -2.402 1.00 0.00 C ATOM 169 CD1 LEU A 14 -4.016 5.643 -2.098 1.00 0.00 C ATOM 170 CD2 LEU A 14 -5.702 7.403 -1.393 1.00 0.00 C ATOM 0 H LEU A 14 -3.080 10.111 -4.659 1.00 0.00 H new ATOM 0 HA LEU A 14 -5.023 9.570 -2.531 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.769 7.759 -3.182 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.047 8.153 -1.497 1.00 0.00 H new ATOM 0 HG LEU A 14 -5.096 6.949 -3.379 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -4.811 4.899 -2.053 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.311 5.373 -2.884 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.497 5.677 -1.140 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.464 6.625 -1.361 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.256 7.514 -0.405 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -6.159 8.346 -1.693 1.00 0.00 H new ATOM 182 N TYR A 15 -3.916 11.399 -1.408 1.00 0.00 N ATOM 183 CA TYR A 15 -3.299 12.510 -0.704 1.00 0.00 C ATOM 184 C TYR A 15 -2.611 12.032 0.577 1.00 0.00 C ATOM 185 O TYR A 15 -2.857 10.919 1.040 1.00 0.00 O ATOM 186 CB TYR A 15 -4.439 13.459 -0.332 1.00 0.00 C ATOM 187 CG TYR A 15 -5.021 14.228 -1.520 1.00 0.00 C ATOM 188 CD1 TYR A 15 -5.703 13.553 -2.511 1.00 0.00 C ATOM 189 CD2 TYR A 15 -4.863 15.597 -1.600 1.00 0.00 C ATOM 190 CE1 TYR A 15 -6.251 14.277 -3.629 1.00 0.00 C ATOM 191 CE2 TYR A 15 -5.410 16.321 -2.718 1.00 0.00 C ATOM 192 CZ TYR A 15 -6.077 15.625 -3.677 1.00 0.00 C ATOM 193 OH TYR A 15 -6.594 16.309 -4.733 1.00 0.00 O ATOM 0 H TYR A 15 -4.915 11.286 -1.234 1.00 0.00 H new ATOM 0 HA TYR A 15 -2.544 12.988 -1.328 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -5.236 12.885 0.142 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -4.077 14.173 0.408 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -5.826 12.482 -2.449 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -4.329 16.125 -0.824 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -6.788 13.761 -4.411 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -5.293 17.392 -2.793 1.00 0.00 H new ATOM 0 HH TYR A 15 -6.394 17.263 -4.634 1.00 0.00 H new ATOM 203 N LYS A 16 -1.761 12.897 1.112 1.00 0.00 N ATOM 204 CA LYS A 16 -1.036 12.577 2.330 1.00 0.00 C ATOM 205 C LYS A 16 -0.797 13.861 3.127 1.00 0.00 C ATOM 206 O LYS A 16 -0.330 14.858 2.579 1.00 0.00 O ATOM 207 CB LYS A 16 0.245 11.807 2.004 1.00 0.00 C ATOM 208 CG LYS A 16 0.896 11.261 3.276 1.00 0.00 C ATOM 209 CD LYS A 16 1.949 10.202 2.943 1.00 0.00 C ATOM 210 CE LYS A 16 3.354 10.806 2.947 1.00 0.00 C ATOM 211 NZ LYS A 16 4.259 10.017 2.082 1.00 0.00 N ATOM 0 H LYS A 16 -1.558 13.818 0.724 1.00 0.00 H new ATOM 0 HA LYS A 16 -1.626 11.914 2.963 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.016 10.984 1.326 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.945 12.462 1.485 1.00 0.00 H new ATOM 0 HG2 LYS A 16 1.359 12.077 3.831 1.00 0.00 H new ATOM 0 HG3 LYS A 16 0.132 10.829 3.923 1.00 0.00 H new ATOM 0 HD2 LYS A 16 1.896 9.391 3.669 1.00 0.00 H new ATOM 0 HD3 LYS A 16 1.738 9.769 1.965 1.00 0.00 H new ATOM 0 HE2 LYS A 16 3.314 11.837 2.597 1.00 0.00 H new ATOM 0 HE3 LYS A 16 3.743 10.830 3.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 5.209 10.440 2.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 4.310 9.040 2.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 3.895 10.016 1.108 1.00 0.00 H new ATOM 225 N LYS A 17 -1.126 13.793 4.409 1.00 0.00 N ATOM 226 CA LYS A 17 -0.953 14.938 5.287 1.00 0.00 C ATOM 227 C LYS A 17 0.541 15.194 5.495 1.00 0.00 C ATOM 228 O LYS A 17 1.365 14.313 5.253 1.00 0.00 O ATOM 229 CB LYS A 17 -1.729 14.735 6.590 1.00 0.00 C ATOM 230 CG LYS A 17 -2.132 16.078 7.203 1.00 0.00 C ATOM 231 CD LYS A 17 -3.119 15.881 8.355 1.00 0.00 C ATOM 232 CE LYS A 17 -3.508 17.223 8.979 1.00 0.00 C ATOM 233 NZ LYS A 17 -3.469 17.138 10.456 1.00 0.00 N ATOM 0 H LYS A 17 -1.511 12.963 4.860 1.00 0.00 H new ATOM 0 HA LYS A 17 -1.370 15.835 4.830 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -2.620 14.137 6.398 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -1.117 14.177 7.299 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -1.245 16.598 7.565 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -2.582 16.711 6.438 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -4.012 15.373 7.991 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -2.674 15.238 9.114 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -2.827 18.002 8.635 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -4.508 17.507 8.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -3.736 18.057 10.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -4.136 16.409 10.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -2.508 16.888 10.764 1.00 0.00 H new ATOM 337 N TRP A 24 -3.035 19.342 1.992 1.00 0.00 N ATOM 338 CA TRP A 24 -2.447 18.027 1.803 1.00 0.00 C ATOM 339 C TRP A 24 -2.058 17.891 0.329 1.00 0.00 C ATOM 340 O TRP A 24 -2.902 18.033 -0.554 1.00 0.00 O ATOM 341 CB TRP A 24 -3.400 16.927 2.274 1.00 0.00 C ATOM 342 CG TRP A 24 -3.926 17.126 3.697 1.00 0.00 C ATOM 343 CD1 TRP A 24 -3.711 18.163 4.518 1.00 0.00 C ATOM 344 CD2 TRP A 24 -4.768 16.218 4.437 1.00 0.00 C ATOM 345 NE1 TRP A 24 -4.351 17.990 5.729 1.00 0.00 N ATOM 346 CE2 TRP A 24 -5.014 16.770 5.678 1.00 0.00 C ATOM 347 CE3 TRP A 24 -5.304 14.971 4.071 1.00 0.00 C ATOM 348 CZ2 TRP A 24 -5.801 16.145 6.653 1.00 0.00 C ATOM 349 CZ3 TRP A 24 -6.089 14.359 5.056 1.00 0.00 C ATOM 350 CH2 TRP A 24 -6.346 14.902 6.310 1.00 0.00 C ATOM 0 HA TRP A 24 -1.550 17.914 2.412 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -4.246 16.876 1.589 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -2.886 15.967 2.218 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -3.112 19.025 4.264 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -4.339 18.638 6.516 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -5.124 14.520 3.106 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -5.978 16.597 7.618 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -6.525 13.398 4.826 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -6.963 14.367 7.016 1.00 0.00 H new ATOM 361 N LYS A 25 -0.781 17.617 0.110 1.00 0.00 N ATOM 362 CA LYS A 25 -0.270 17.460 -1.241 1.00 0.00 C ATOM 363 C LYS A 25 -0.842 16.179 -1.852 1.00 0.00 C ATOM 364 O LYS A 25 -0.847 15.130 -1.212 1.00 0.00 O ATOM 365 CB LYS A 25 1.259 17.514 -1.246 1.00 0.00 C ATOM 366 CG LYS A 25 1.761 18.778 -1.947 1.00 0.00 C ATOM 367 CD LYS A 25 3.021 19.317 -1.268 1.00 0.00 C ATOM 368 CE LYS A 25 3.467 20.634 -1.907 1.00 0.00 C ATOM 369 NZ LYS A 25 2.624 21.753 -1.430 1.00 0.00 N ATOM 0 H LYS A 25 -0.084 17.500 0.846 1.00 0.00 H new ATOM 0 HA LYS A 25 -0.597 18.288 -1.870 1.00 0.00 H new ATOM 0 HB2 LYS A 25 1.631 17.490 -0.222 1.00 0.00 H new ATOM 0 HB3 LYS A 25 1.656 16.633 -1.750 1.00 0.00 H new ATOM 0 HG2 LYS A 25 1.973 18.558 -2.993 1.00 0.00 H new ATOM 0 HG3 LYS A 25 0.982 19.540 -1.933 1.00 0.00 H new ATOM 0 HD2 LYS A 25 2.829 19.470 -0.206 1.00 0.00 H new ATOM 0 HD3 LYS A 25 3.822 18.582 -1.344 1.00 0.00 H new ATOM 0 HE2 LYS A 25 4.511 20.828 -1.663 1.00 0.00 H new ATOM 0 HE3 LYS A 25 3.402 20.559 -2.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 2.951 22.642 -1.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 1.634 21.581 -1.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 2.694 21.823 -0.395 1.00 0.00 H new ATOM 383 N ALA A 26 -1.312 16.308 -3.085 1.00 0.00 N ATOM 384 CA ALA A 26 -1.885 15.174 -3.790 1.00 0.00 C ATOM 385 C ALA A 26 -0.835 14.581 -4.732 1.00 0.00 C ATOM 386 O ALA A 26 -0.311 15.277 -5.600 1.00 0.00 O ATOM 387 CB ALA A 26 -3.148 15.619 -4.530 1.00 0.00 C ATOM 0 H ALA A 26 -1.307 17.181 -3.613 1.00 0.00 H new ATOM 0 HA ALA A 26 -2.176 14.393 -3.088 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -3.578 14.769 -5.059 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -3.873 16.005 -3.813 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -2.894 16.401 -5.246 1.00 0.00 H new ATOM 393 N ARG A 27 -0.560 13.301 -4.528 1.00 0.00 N ATOM 394 CA ARG A 27 0.418 12.607 -5.349 1.00 0.00 C ATOM 395 C ARG A 27 -0.150 11.272 -5.836 1.00 0.00 C ATOM 396 O ARG A 27 -1.129 10.771 -5.283 1.00 0.00 O ATOM 397 CB ARG A 27 1.708 12.350 -4.569 1.00 0.00 C ATOM 398 CG ARG A 27 2.466 13.655 -4.317 1.00 0.00 C ATOM 399 CD ARG A 27 3.135 13.644 -2.941 1.00 0.00 C ATOM 400 NE ARG A 27 3.858 14.916 -2.720 1.00 0.00 N ATOM 401 CZ ARG A 27 4.664 15.150 -1.675 1.00 0.00 C ATOM 402 NH1 ARG A 27 4.855 14.199 -0.750 1.00 0.00 N ATOM 403 NH2 ARG A 27 5.279 16.335 -1.556 1.00 0.00 N ATOM 0 H ARG A 27 -0.997 12.727 -3.807 1.00 0.00 H new ATOM 0 HA ARG A 27 0.645 13.243 -6.204 1.00 0.00 H new ATOM 0 HB2 ARG A 27 1.473 11.872 -3.618 1.00 0.00 H new ATOM 0 HB3 ARG A 27 2.342 11.659 -5.125 1.00 0.00 H new ATOM 0 HG2 ARG A 27 3.220 13.797 -5.091 1.00 0.00 H new ATOM 0 HG3 ARG A 27 1.778 14.498 -4.384 1.00 0.00 H new ATOM 0 HD2 ARG A 27 2.384 13.503 -2.164 1.00 0.00 H new ATOM 0 HD3 ARG A 27 3.828 12.805 -2.871 1.00 0.00 H new ATOM 0 HE ARG A 27 3.735 15.661 -3.406 1.00 0.00 H new ATOM 0 HH11 ARG A 27 4.387 13.297 -0.841 1.00 0.00 H new ATOM 0 HH12 ARG A 27 5.468 14.377 0.045 1.00 0.00 H new ATOM 0 HH21 ARG A 27 5.133 17.058 -2.260 1.00 0.00 H new ATOM 0 HH22 ARG A 27 5.892 16.514 -0.761 1.00 0.00 H new ATOM 417 N TRP A 28 0.487 10.734 -6.865 1.00 0.00 N ATOM 418 CA TRP A 28 0.058 9.467 -7.432 1.00 0.00 C ATOM 419 C TRP A 28 0.629 8.343 -6.566 1.00 0.00 C ATOM 420 O TRP A 28 1.832 8.303 -6.309 1.00 0.00 O ATOM 421 CB TRP A 28 0.469 9.357 -8.902 1.00 0.00 C ATOM 422 CG TRP A 28 -0.117 8.142 -9.623 1.00 0.00 C ATOM 423 CD1 TRP A 28 0.504 7.003 -9.959 1.00 0.00 C ATOM 424 CD2 TRP A 28 -1.476 7.990 -10.086 1.00 0.00 C ATOM 425 NE1 TRP A 28 -0.352 6.132 -10.602 1.00 0.00 N ATOM 426 CE2 TRP A 28 -1.593 6.751 -10.682 1.00 0.00 C ATOM 427 CE3 TRP A 28 -2.569 8.870 -10.004 1.00 0.00 C ATOM 428 CZ2 TRP A 28 -2.787 6.279 -11.242 1.00 0.00 C ATOM 429 CZ3 TRP A 28 -3.755 8.384 -10.568 1.00 0.00 C ATOM 430 CH2 TRP A 28 -3.890 7.139 -11.172 1.00 0.00 C ATOM 0 H TRP A 28 1.298 11.153 -7.321 1.00 0.00 H new ATOM 0 HA TRP A 28 -1.029 9.391 -7.427 1.00 0.00 H new ATOM 0 HB2 TRP A 28 0.157 10.262 -9.424 1.00 0.00 H new ATOM 0 HB3 TRP A 28 1.556 9.313 -8.962 1.00 0.00 H new ATOM 0 HD1 TRP A 28 1.543 6.793 -9.753 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -0.117 5.204 -10.954 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -2.500 9.844 -9.542 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -2.853 5.305 -11.703 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -4.626 9.021 -10.531 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -4.841 6.837 -11.585 1.00 0.00 H new ATOM 441 N PHE A 29 -0.259 7.457 -6.140 1.00 0.00 N ATOM 442 CA PHE A 29 0.142 6.336 -5.308 1.00 0.00 C ATOM 443 C PHE A 29 0.045 5.018 -6.080 1.00 0.00 C ATOM 444 O PHE A 29 -0.479 4.983 -7.193 1.00 0.00 O ATOM 445 CB PHE A 29 -0.824 6.290 -4.123 1.00 0.00 C ATOM 446 CG PHE A 29 -0.426 7.202 -2.961 1.00 0.00 C ATOM 447 CD1 PHE A 29 0.128 8.419 -3.210 1.00 0.00 C ATOM 448 CD2 PHE A 29 -0.627 6.796 -1.678 1.00 0.00 C ATOM 449 CE1 PHE A 29 0.497 9.265 -2.131 1.00 0.00 C ATOM 450 CE2 PHE A 29 -0.258 7.643 -0.599 1.00 0.00 C ATOM 451 CZ PHE A 29 0.297 8.859 -0.849 1.00 0.00 C ATOM 0 H PHE A 29 -1.255 7.493 -6.356 1.00 0.00 H new ATOM 0 HA PHE A 29 1.176 6.463 -4.986 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -1.819 6.571 -4.468 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -0.890 5.264 -3.760 1.00 0.00 H new ATOM 0 HD1 PHE A 29 0.287 8.742 -4.228 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -1.067 5.830 -1.480 1.00 0.00 H new ATOM 0 HE1 PHE A 29 0.937 10.231 -2.329 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -0.418 7.321 0.419 1.00 0.00 H new ATOM 0 HZ PHE A 29 0.579 9.503 -0.029 1.00 0.00 H new ATOM 461 N VAL A 30 0.559 3.966 -5.460 1.00 0.00 N ATOM 462 CA VAL A 30 0.537 2.650 -6.075 1.00 0.00 C ATOM 463 C VAL A 30 0.207 1.601 -5.011 1.00 0.00 C ATOM 464 O VAL A 30 0.711 1.667 -3.891 1.00 0.00 O ATOM 465 CB VAL A 30 1.865 2.383 -6.786 1.00 0.00 C ATOM 466 CG1 VAL A 30 2.017 0.899 -7.124 1.00 0.00 C ATOM 467 CG2 VAL A 30 1.998 3.248 -8.042 1.00 0.00 C ATOM 0 H VAL A 30 0.993 3.998 -4.538 1.00 0.00 H new ATOM 0 HA VAL A 30 -0.241 2.597 -6.837 1.00 0.00 H new ATOM 0 HB VAL A 30 2.671 2.656 -6.104 1.00 0.00 H new ATOM 0 HG11 VAL A 30 2.969 0.736 -7.629 1.00 0.00 H new ATOM 0 HG12 VAL A 30 1.988 0.312 -6.206 1.00 0.00 H new ATOM 0 HG13 VAL A 30 1.202 0.590 -7.778 1.00 0.00 H new ATOM 0 HG21 VAL A 30 2.951 3.039 -8.529 1.00 0.00 H new ATOM 0 HG22 VAL A 30 1.182 3.021 -8.728 1.00 0.00 H new ATOM 0 HG23 VAL A 30 1.956 4.301 -7.765 1.00 0.00 H new ATOM 477 N LEU A 31 -0.637 0.656 -5.400 1.00 0.00 N ATOM 478 CA LEU A 31 -1.040 -0.406 -4.494 1.00 0.00 C ATOM 479 C LEU A 31 -0.509 -1.743 -5.014 1.00 0.00 C ATOM 480 O LEU A 31 -1.220 -2.472 -5.704 1.00 0.00 O ATOM 481 CB LEU A 31 -2.556 -0.386 -4.285 1.00 0.00 C ATOM 482 CG LEU A 31 -3.041 -0.669 -2.862 1.00 0.00 C ATOM 483 CD1 LEU A 31 -3.313 -2.162 -2.663 1.00 0.00 C ATOM 484 CD2 LEU A 31 -2.055 -0.123 -1.828 1.00 0.00 C ATOM 0 H LEU A 31 -1.053 0.604 -6.330 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.603 -0.251 -3.507 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.932 0.591 -4.588 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.005 -1.121 -4.953 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.986 -0.147 -2.712 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.657 -2.337 -1.643 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.080 -2.489 -3.365 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.397 -2.725 -2.838 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.424 -0.338 -0.825 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.083 -0.597 -1.966 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.955 0.955 -1.955 1.00 0.00 H new ATOM 496 N ASP A 32 0.737 -2.025 -4.662 1.00 0.00 N ATOM 497 CA ASP A 32 1.372 -3.262 -5.085 1.00 0.00 C ATOM 498 C ASP A 32 0.828 -4.421 -4.248 1.00 0.00 C ATOM 499 O ASP A 32 0.601 -4.272 -3.048 1.00 0.00 O ATOM 500 CB ASP A 32 2.887 -3.201 -4.880 1.00 0.00 C ATOM 501 CG ASP A 32 3.664 -4.394 -5.441 1.00 0.00 C ATOM 502 OD1 ASP A 32 3.118 -5.515 -5.360 1.00 0.00 O ATOM 503 OD2 ASP A 32 4.786 -4.157 -5.939 1.00 0.00 O ATOM 0 H ASP A 32 1.324 -1.418 -4.089 1.00 0.00 H new ATOM 0 HA ASP A 32 1.157 -3.407 -6.144 1.00 0.00 H new ATOM 0 HB2 ASP A 32 3.265 -2.290 -5.344 1.00 0.00 H new ATOM 0 HB3 ASP A 32 3.091 -3.123 -3.812 1.00 0.00 H new ATOM 508 N LYS A 33 0.636 -5.550 -4.914 1.00 0.00 N ATOM 509 CA LYS A 33 0.123 -6.734 -4.246 1.00 0.00 C ATOM 510 C LYS A 33 1.239 -7.774 -4.132 1.00 0.00 C ATOM 511 O LYS A 33 1.318 -8.500 -3.142 1.00 0.00 O ATOM 512 CB LYS A 33 -1.129 -7.252 -4.959 1.00 0.00 C ATOM 513 CG LYS A 33 -0.934 -7.253 -6.476 1.00 0.00 C ATOM 514 CD LYS A 33 -1.942 -8.182 -7.157 1.00 0.00 C ATOM 515 CE LYS A 33 -1.312 -9.542 -7.467 1.00 0.00 C ATOM 516 NZ LYS A 33 -2.353 -10.592 -7.528 1.00 0.00 N ATOM 0 H LYS A 33 0.826 -5.670 -5.909 1.00 0.00 H new ATOM 0 HA LYS A 33 -0.193 -6.492 -3.231 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -1.355 -8.262 -4.617 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -1.984 -6.628 -4.699 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -1.049 -6.240 -6.862 1.00 0.00 H new ATOM 0 HG3 LYS A 33 0.080 -7.572 -6.716 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -2.810 -8.318 -6.512 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -2.299 -7.724 -8.079 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -0.778 -9.495 -8.416 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -0.578 -9.793 -6.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -1.910 -11.509 -7.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -2.844 -10.648 -6.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -3.038 -10.359 -8.275 1.00 0.00 H new ATOM 530 N THR A 34 2.075 -7.813 -5.159 1.00 0.00 N ATOM 531 CA THR A 34 3.184 -8.752 -5.187 1.00 0.00 C ATOM 532 C THR A 34 4.159 -8.459 -4.045 1.00 0.00 C ATOM 533 O THR A 34 4.687 -9.380 -3.423 1.00 0.00 O ATOM 534 CB THR A 34 3.831 -8.680 -6.571 1.00 0.00 C ATOM 535 OG1 THR A 34 4.381 -7.366 -6.630 1.00 0.00 O ATOM 536 CG2 THR A 34 2.799 -8.702 -7.701 1.00 0.00 C ATOM 0 H THR A 34 2.007 -7.209 -5.978 1.00 0.00 H new ATOM 0 HA THR A 34 2.841 -9.774 -5.026 1.00 0.00 H new ATOM 0 HB THR A 34 4.521 -9.515 -6.692 1.00 0.00 H new ATOM 0 HG1 THR A 34 3.697 -6.713 -6.374 1.00 0.00 H new ATOM 0 HG21 THR A 34 3.311 -8.649 -8.662 1.00 0.00 H new ATOM 0 HG22 THR A 34 2.221 -9.625 -7.648 1.00 0.00 H new ATOM 0 HG23 THR A 34 2.129 -7.848 -7.599 1.00 0.00 H new ATOM 544 N LYS A 35 4.368 -7.173 -3.803 1.00 0.00 N ATOM 545 CA LYS A 35 5.271 -6.747 -2.747 1.00 0.00 C ATOM 546 C LYS A 35 4.453 -6.247 -1.554 1.00 0.00 C ATOM 547 O LYS A 35 4.993 -6.049 -0.467 1.00 0.00 O ATOM 548 CB LYS A 35 6.273 -5.722 -3.279 1.00 0.00 C ATOM 549 CG LYS A 35 7.589 -6.395 -3.674 1.00 0.00 C ATOM 550 CD LYS A 35 8.748 -5.878 -2.819 1.00 0.00 C ATOM 551 CE LYS A 35 9.934 -6.843 -2.862 1.00 0.00 C ATOM 552 NZ LYS A 35 11.084 -6.285 -2.115 1.00 0.00 N ATOM 0 H LYS A 35 3.927 -6.412 -4.320 1.00 0.00 H new ATOM 0 HA LYS A 35 5.869 -7.588 -2.395 1.00 0.00 H new ATOM 0 HB2 LYS A 35 5.850 -5.209 -4.142 1.00 0.00 H new ATOM 0 HB3 LYS A 35 6.462 -4.964 -2.519 1.00 0.00 H new ATOM 0 HG2 LYS A 35 7.499 -7.475 -3.556 1.00 0.00 H new ATOM 0 HG3 LYS A 35 7.797 -6.206 -4.727 1.00 0.00 H new ATOM 0 HD2 LYS A 35 9.060 -4.897 -3.178 1.00 0.00 H new ATOM 0 HD3 LYS A 35 8.416 -5.750 -1.789 1.00 0.00 H new ATOM 0 HE2 LYS A 35 9.645 -7.803 -2.433 1.00 0.00 H new ATOM 0 HE3 LYS A 35 10.221 -7.030 -3.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 11.880 -6.953 -2.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 11.369 -5.380 -2.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 10.811 -6.129 -1.124 1.00 0.00 H new ATOM 566 N HIS A 36 3.165 -6.056 -1.799 1.00 0.00 N ATOM 567 CA HIS A 36 2.268 -5.582 -0.759 1.00 0.00 C ATOM 568 C HIS A 36 2.869 -4.347 -0.087 1.00 0.00 C ATOM 569 O HIS A 36 3.088 -4.339 1.124 1.00 0.00 O ATOM 570 CB HIS A 36 1.948 -6.701 0.234 1.00 0.00 C ATOM 571 CG HIS A 36 3.167 -7.323 0.872 1.00 0.00 C ATOM 572 ND1 HIS A 36 3.976 -6.873 1.874 1.00 0.00 N flip ATOM 573 CD2 HIS A 36 3.672 -8.552 0.484 1.00 0.00 C flip ATOM 574 CE1 HIS A 36 4.923 -7.779 2.087 1.00 0.00 C flip ATOM 575 NE2 HIS A 36 4.737 -8.820 1.226 1.00 0.00 N flip ATOM 0 H HIS A 36 2.721 -6.221 -2.703 1.00 0.00 H new ATOM 0 HA HIS A 36 1.317 -5.285 -1.201 1.00 0.00 H new ATOM 0 HB2 HIS A 36 1.303 -6.304 1.018 1.00 0.00 H new ATOM 0 HB3 HIS A 36 1.383 -7.478 -0.280 1.00 0.00 H new ATOM 0 HD1 HIS A 36 3.871 -5.990 2.375 1.00 0.00 H new ATOM 0 HD2 HIS A 36 3.267 -9.185 -0.292 1.00 0.00 H new ATOM 0 HE1 HIS A 36 5.711 -7.704 2.822 1.00 0.00 H new ATOM 583 N GLN A 37 3.119 -3.332 -0.901 1.00 0.00 N ATOM 584 CA GLN A 37 3.691 -2.094 -0.400 1.00 0.00 C ATOM 585 C GLN A 37 3.014 -0.891 -1.061 1.00 0.00 C ATOM 586 O GLN A 37 2.333 -1.037 -2.075 1.00 0.00 O ATOM 587 CB GLN A 37 5.204 -2.060 -0.619 1.00 0.00 C ATOM 588 CG GLN A 37 5.882 -3.258 0.051 1.00 0.00 C ATOM 589 CD GLN A 37 7.249 -2.870 0.616 1.00 0.00 C ATOM 590 OE1 GLN A 37 7.391 -2.503 1.771 1.00 0.00 O ATOM 591 NE2 GLN A 37 8.245 -2.970 -0.261 1.00 0.00 N ATOM 0 H GLN A 37 2.936 -3.342 -1.904 1.00 0.00 H new ATOM 0 HA GLN A 37 3.512 -2.043 0.674 1.00 0.00 H new ATOM 0 HB2 GLN A 37 5.421 -2.065 -1.687 1.00 0.00 H new ATOM 0 HB3 GLN A 37 5.613 -1.134 -0.216 1.00 0.00 H new ATOM 0 HG2 GLN A 37 5.248 -3.638 0.852 1.00 0.00 H new ATOM 0 HG3 GLN A 37 5.999 -4.065 -0.672 1.00 0.00 H new ATOM 0 HE21 GLN A 37 8.057 -3.284 -1.213 1.00 0.00 H new ATOM 0 HE22 GLN A 37 9.197 -2.733 0.019 1.00 0.00 H new ATOM 600 N LEU A 38 3.226 0.271 -0.460 1.00 0.00 N ATOM 601 CA LEU A 38 2.646 1.498 -0.978 1.00 0.00 C ATOM 602 C LEU A 38 3.750 2.359 -1.596 1.00 0.00 C ATOM 603 O LEU A 38 4.587 2.908 -0.881 1.00 0.00 O ATOM 604 CB LEU A 38 1.845 2.214 0.111 1.00 0.00 C ATOM 605 CG LEU A 38 0.541 2.875 -0.339 1.00 0.00 C ATOM 606 CD1 LEU A 38 -0.591 2.582 0.647 1.00 0.00 C ATOM 607 CD2 LEU A 38 0.735 4.376 -0.559 1.00 0.00 C ATOM 0 H LEU A 38 3.791 0.388 0.381 1.00 0.00 H new ATOM 0 HA LEU A 38 1.933 1.276 -1.772 1.00 0.00 H new ATOM 0 HB2 LEU A 38 1.612 1.494 0.895 1.00 0.00 H new ATOM 0 HB3 LEU A 38 2.481 2.978 0.558 1.00 0.00 H new ATOM 0 HG LEU A 38 0.253 2.444 -1.298 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -1.507 3.064 0.303 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.749 1.505 0.710 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -0.325 2.968 1.631 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.207 4.822 -0.878 1.00 0.00 H new ATOM 0 HD22 LEU A 38 1.059 4.841 0.372 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.491 4.536 -1.327 1.00 0.00 H new ATOM 619 N ARG A 39 3.717 2.449 -2.917 1.00 0.00 N ATOM 620 CA ARG A 39 4.704 3.233 -3.639 1.00 0.00 C ATOM 621 C ARG A 39 4.082 4.537 -4.142 1.00 0.00 C ATOM 622 O ARG A 39 3.106 4.515 -4.890 1.00 0.00 O ATOM 623 CB ARG A 39 5.266 2.452 -4.828 1.00 0.00 C ATOM 624 CG ARG A 39 6.184 1.322 -4.358 1.00 0.00 C ATOM 625 CD ARG A 39 5.911 0.033 -5.137 1.00 0.00 C ATOM 626 NE ARG A 39 7.026 -0.238 -6.072 1.00 0.00 N ATOM 627 CZ ARG A 39 8.162 -0.858 -5.727 1.00 0.00 C ATOM 628 NH1 ARG A 39 8.341 -1.275 -4.466 1.00 0.00 N ATOM 629 NH2 ARG A 39 9.119 -1.062 -6.643 1.00 0.00 N ATOM 0 H ARG A 39 3.022 1.992 -3.507 1.00 0.00 H new ATOM 0 HA ARG A 39 5.518 3.457 -2.949 1.00 0.00 H new ATOM 0 HB2 ARG A 39 4.447 2.039 -5.416 1.00 0.00 H new ATOM 0 HB3 ARG A 39 5.819 3.126 -5.482 1.00 0.00 H new ATOM 0 HG2 ARG A 39 7.225 1.616 -4.489 1.00 0.00 H new ATOM 0 HG3 ARG A 39 6.034 1.146 -3.293 1.00 0.00 H new ATOM 0 HD2 ARG A 39 5.794 -0.802 -4.446 1.00 0.00 H new ATOM 0 HD3 ARG A 39 4.976 0.123 -5.689 1.00 0.00 H new ATOM 0 HE ARG A 39 6.923 0.067 -7.040 1.00 0.00 H new ATOM 0 HH11 ARG A 39 7.612 -1.120 -3.769 1.00 0.00 H new ATOM 0 HH12 ARG A 39 9.206 -1.747 -4.203 1.00 0.00 H new ATOM 0 HH21 ARG A 39 8.982 -0.745 -7.603 1.00 0.00 H new ATOM 0 HH22 ARG A 39 9.984 -1.534 -6.380 1.00 0.00 H new ATOM 643 N TYR A 40 4.672 5.642 -3.711 1.00 0.00 N ATOM 644 CA TYR A 40 4.188 6.953 -4.108 1.00 0.00 C ATOM 645 C TYR A 40 5.323 7.809 -4.674 1.00 0.00 C ATOM 646 O TYR A 40 6.475 7.667 -4.266 1.00 0.00 O ATOM 647 CB TYR A 40 3.657 7.611 -2.833 1.00 0.00 C ATOM 648 CG TYR A 40 4.748 8.008 -1.837 1.00 0.00 C ATOM 649 CD1 TYR A 40 5.270 7.067 -0.973 1.00 0.00 C ATOM 650 CD2 TYR A 40 5.212 9.308 -1.802 1.00 0.00 C ATOM 651 CE1 TYR A 40 6.297 7.440 -0.035 1.00 0.00 C ATOM 652 CE2 TYR A 40 6.239 9.682 -0.865 1.00 0.00 C ATOM 653 CZ TYR A 40 6.731 8.729 -0.028 1.00 0.00 C ATOM 654 OH TYR A 40 7.701 9.082 0.858 1.00 0.00 O ATOM 0 H TYR A 40 5.481 5.656 -3.090 1.00 0.00 H new ATOM 0 HA TYR A 40 3.425 6.862 -4.881 1.00 0.00 H new ATOM 0 HB2 TYR A 40 3.087 8.499 -3.105 1.00 0.00 H new ATOM 0 HB3 TYR A 40 2.965 6.926 -2.344 1.00 0.00 H new ATOM 0 HD1 TYR A 40 4.908 6.050 -1.000 1.00 0.00 H new ATOM 0 HD2 TYR A 40 4.804 10.045 -2.478 1.00 0.00 H new ATOM 0 HE1 TYR A 40 6.713 6.713 0.647 1.00 0.00 H new ATOM 0 HE2 TYR A 40 6.610 10.696 -0.827 1.00 0.00 H new ATOM 0 HH TYR A 40 7.913 10.033 0.749 1.00 0.00 H new ATOM 664 N TYR A 41 4.958 8.677 -5.606 1.00 0.00 N ATOM 665 CA TYR A 41 5.932 9.556 -6.232 1.00 0.00 C ATOM 666 C TYR A 41 5.376 10.973 -6.380 1.00 0.00 C ATOM 667 O TYR A 41 4.172 11.189 -6.247 1.00 0.00 O ATOM 668 CB TYR A 41 6.190 8.974 -7.624 1.00 0.00 C ATOM 669 CG TYR A 41 6.061 7.452 -7.696 1.00 0.00 C ATOM 670 CD1 TYR A 41 4.814 6.869 -7.800 1.00 0.00 C ATOM 671 CD2 TYR A 41 7.191 6.661 -7.656 1.00 0.00 C ATOM 672 CE1 TYR A 41 4.693 5.436 -7.868 1.00 0.00 C ATOM 673 CE2 TYR A 41 7.070 5.227 -7.724 1.00 0.00 C ATOM 674 CZ TYR A 41 5.827 4.686 -7.827 1.00 0.00 C ATOM 675 OH TYR A 41 5.712 3.332 -7.891 1.00 0.00 O ATOM 0 H TYR A 41 4.002 8.791 -5.943 1.00 0.00 H new ATOM 0 HA TYR A 41 6.838 9.617 -5.629 1.00 0.00 H new ATOM 0 HB2 TYR A 41 5.489 9.421 -8.329 1.00 0.00 H new ATOM 0 HB3 TYR A 41 7.192 9.259 -7.946 1.00 0.00 H new ATOM 0 HD1 TYR A 41 3.929 7.488 -7.830 1.00 0.00 H new ATOM 0 HD2 TYR A 41 8.167 7.117 -7.574 1.00 0.00 H new ATOM 0 HE1 TYR A 41 3.724 4.967 -7.950 1.00 0.00 H new ATOM 0 HE2 TYR A 41 7.946 4.596 -7.694 1.00 0.00 H new ATOM 0 HH TYR A 41 6.603 2.926 -7.852 1.00 0.00 H new ATOM 836 N VAL A 52 8.839 3.156 0.630 1.00 0.00 N ATOM 837 CA VAL A 52 7.610 2.420 0.386 1.00 0.00 C ATOM 838 C VAL A 52 6.927 2.120 1.722 1.00 0.00 C ATOM 839 O VAL A 52 7.580 2.088 2.764 1.00 0.00 O ATOM 840 CB VAL A 52 7.907 1.161 -0.430 1.00 0.00 C ATOM 841 CG1 VAL A 52 8.649 1.507 -1.723 1.00 0.00 C ATOM 842 CG2 VAL A 52 8.693 0.143 0.398 1.00 0.00 C ATOM 0 HA VAL A 52 6.917 3.018 -0.206 1.00 0.00 H new ATOM 0 HB VAL A 52 6.954 0.707 -0.702 1.00 0.00 H new ATOM 0 HG11 VAL A 52 8.848 0.594 -2.284 1.00 0.00 H new ATOM 0 HG12 VAL A 52 8.036 2.177 -2.326 1.00 0.00 H new ATOM 0 HG13 VAL A 52 9.592 1.997 -1.481 1.00 0.00 H new ATOM 0 HG21 VAL A 52 8.891 -0.742 -0.206 1.00 0.00 H new ATOM 0 HG22 VAL A 52 9.638 0.584 0.716 1.00 0.00 H new ATOM 0 HG23 VAL A 52 8.111 -0.139 1.276 1.00 0.00 H new ATOM 852 N ILE A 53 5.622 1.906 1.648 1.00 0.00 N ATOM 853 CA ILE A 53 4.843 1.609 2.839 1.00 0.00 C ATOM 854 C ILE A 53 4.460 0.128 2.835 1.00 0.00 C ATOM 855 O ILE A 53 3.473 -0.260 2.212 1.00 0.00 O ATOM 856 CB ILE A 53 3.645 2.554 2.945 1.00 0.00 C ATOM 857 CG1 ILE A 53 3.992 3.942 2.401 1.00 0.00 C ATOM 858 CG2 ILE A 53 3.122 2.616 4.381 1.00 0.00 C ATOM 859 CD1 ILE A 53 2.772 4.865 2.437 1.00 0.00 C ATOM 0 H ILE A 53 5.084 1.932 0.782 1.00 0.00 H new ATOM 0 HA ILE A 53 5.437 1.783 3.736 1.00 0.00 H new ATOM 0 HB ILE A 53 2.840 2.157 2.326 1.00 0.00 H new ATOM 0 HG12 ILE A 53 4.799 4.377 2.991 1.00 0.00 H new ATOM 0 HG13 ILE A 53 4.357 3.855 1.378 1.00 0.00 H new ATOM 0 HG21 ILE A 53 2.270 3.295 4.429 1.00 0.00 H new ATOM 0 HG22 ILE A 53 2.811 1.621 4.698 1.00 0.00 H new ATOM 0 HG23 ILE A 53 3.911 2.977 5.040 1.00 0.00 H new ATOM 0 HD11 ILE A 53 3.045 5.845 2.045 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.976 4.439 1.827 1.00 0.00 H new ATOM 0 HD13 ILE A 53 2.425 4.969 3.465 1.00 0.00 H new ATOM 871 N ASP A 54 5.260 -0.660 3.539 1.00 0.00 N ATOM 872 CA ASP A 54 5.016 -2.089 3.625 1.00 0.00 C ATOM 873 C ASP A 54 3.646 -2.332 4.261 1.00 0.00 C ATOM 874 O ASP A 54 3.477 -2.155 5.466 1.00 0.00 O ATOM 875 CB ASP A 54 6.070 -2.776 4.496 1.00 0.00 C ATOM 876 CG ASP A 54 6.634 -1.915 5.628 1.00 0.00 C ATOM 877 OD1 ASP A 54 5.922 -0.971 6.031 1.00 0.00 O ATOM 878 OD2 ASP A 54 7.764 -2.222 6.065 1.00 0.00 O ATOM 0 H ASP A 54 6.078 -0.335 4.055 1.00 0.00 H new ATOM 0 HA ASP A 54 5.058 -2.499 2.616 1.00 0.00 H new ATOM 0 HB2 ASP A 54 5.632 -3.676 4.928 1.00 0.00 H new ATOM 0 HB3 ASP A 54 6.894 -3.096 3.858 1.00 0.00 H new ATOM 883 N LEU A 55 2.702 -2.733 3.422 1.00 0.00 N ATOM 884 CA LEU A 55 1.352 -3.001 3.887 1.00 0.00 C ATOM 885 C LEU A 55 1.391 -4.113 4.938 1.00 0.00 C ATOM 886 O LEU A 55 0.430 -4.302 5.682 1.00 0.00 O ATOM 887 CB LEU A 55 0.428 -3.303 2.706 1.00 0.00 C ATOM 888 CG LEU A 55 0.351 -2.226 1.622 1.00 0.00 C ATOM 889 CD1 LEU A 55 -0.206 -2.799 0.318 1.00 0.00 C ATOM 890 CD2 LEU A 55 -0.452 -1.017 2.106 1.00 0.00 C ATOM 0 H LEU A 55 2.846 -2.879 2.423 1.00 0.00 H new ATOM 0 HA LEU A 55 0.934 -2.119 4.371 1.00 0.00 H new ATOM 0 HB2 LEU A 55 0.756 -4.234 2.243 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.577 -3.475 3.091 1.00 0.00 H new ATOM 0 HG LEU A 55 1.363 -1.878 1.414 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -0.250 -2.013 -0.435 1.00 0.00 H new ATOM 0 HD12 LEU A 55 0.442 -3.602 -0.033 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -1.208 -3.192 0.492 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -0.491 -0.267 1.316 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -1.465 -1.331 2.359 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.027 -0.591 2.988 1.00 0.00 H new ATOM 902 N ALA A 56 2.511 -4.819 4.964 1.00 0.00 N ATOM 903 CA ALA A 56 2.687 -5.907 5.911 1.00 0.00 C ATOM 904 C ALA A 56 2.911 -5.329 7.310 1.00 0.00 C ATOM 905 O ALA A 56 2.704 -6.016 8.309 1.00 0.00 O ATOM 906 CB ALA A 56 3.846 -6.797 5.456 1.00 0.00 C ATOM 0 H ALA A 56 3.306 -4.659 4.345 1.00 0.00 H new ATOM 0 HA ALA A 56 1.793 -6.529 5.951 1.00 0.00 H new ATOM 0 HB1 ALA A 56 3.978 -7.613 6.166 1.00 0.00 H new ATOM 0 HB2 ALA A 56 3.625 -7.206 4.470 1.00 0.00 H new ATOM 0 HB3 ALA A 56 4.761 -6.206 5.407 1.00 0.00 H new ATOM 912 N GLU A 57 3.330 -4.072 7.336 1.00 0.00 N ATOM 913 CA GLU A 57 3.584 -3.394 8.595 1.00 0.00 C ATOM 914 C GLU A 57 2.304 -2.734 9.110 1.00 0.00 C ATOM 915 O GLU A 57 2.150 -2.522 10.312 1.00 0.00 O ATOM 916 CB GLU A 57 4.710 -2.368 8.449 1.00 0.00 C ATOM 917 CG GLU A 57 6.075 -3.057 8.384 1.00 0.00 C ATOM 918 CD GLU A 57 6.473 -3.613 9.752 1.00 0.00 C ATOM 919 OE1 GLU A 57 6.090 -4.770 10.028 1.00 0.00 O ATOM 920 OE2 GLU A 57 7.153 -2.869 10.491 1.00 0.00 O ATOM 0 H GLU A 57 3.500 -3.506 6.505 1.00 0.00 H new ATOM 0 HA GLU A 57 3.906 -4.136 9.326 1.00 0.00 H new ATOM 0 HB2 GLU A 57 4.554 -1.777 7.546 1.00 0.00 H new ATOM 0 HB3 GLU A 57 4.688 -1.676 9.291 1.00 0.00 H new ATOM 0 HG2 GLU A 57 6.044 -3.866 7.654 1.00 0.00 H new ATOM 0 HG3 GLU A 57 6.829 -2.348 8.042 1.00 0.00 H new ATOM 927 N VAL A 58 1.417 -2.427 8.175 1.00 0.00 N ATOM 928 CA VAL A 58 0.155 -1.794 8.519 1.00 0.00 C ATOM 929 C VAL A 58 -0.571 -2.649 9.559 1.00 0.00 C ATOM 930 O VAL A 58 -0.817 -3.833 9.333 1.00 0.00 O ATOM 931 CB VAL A 58 -0.674 -1.558 7.255 1.00 0.00 C ATOM 932 CG1 VAL A 58 -2.115 -1.184 7.606 1.00 0.00 C ATOM 933 CG2 VAL A 58 -0.030 -0.490 6.368 1.00 0.00 C ATOM 0 H VAL A 58 1.547 -2.605 7.179 1.00 0.00 H new ATOM 0 HA VAL A 58 0.328 -0.815 8.965 1.00 0.00 H new ATOM 0 HB VAL A 58 -0.698 -2.491 6.692 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -2.682 -1.022 6.690 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -2.572 -1.992 8.177 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -2.119 -0.271 8.202 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -0.639 -0.342 5.476 1.00 0.00 H new ATOM 0 HG22 VAL A 58 0.040 0.447 6.920 1.00 0.00 H new ATOM 0 HG23 VAL A 58 0.969 -0.814 6.075 1.00 0.00 H new ATOM 943 N GLU A 59 -0.895 -2.016 10.677 1.00 0.00 N ATOM 944 CA GLU A 59 -1.588 -2.703 11.753 1.00 0.00 C ATOM 945 C GLU A 59 -3.086 -2.789 11.450 1.00 0.00 C ATOM 946 O GLU A 59 -3.750 -3.744 11.850 1.00 0.00 O ATOM 947 CB GLU A 59 -1.340 -2.013 13.095 1.00 0.00 C ATOM 948 CG GLU A 59 0.136 -2.099 13.492 1.00 0.00 C ATOM 949 CD GLU A 59 0.318 -2.968 14.738 1.00 0.00 C ATOM 950 OE1 GLU A 59 -0.075 -2.491 15.824 1.00 0.00 O ATOM 951 OE2 GLU A 59 0.847 -4.089 14.576 1.00 0.00 O ATOM 0 H GLU A 59 -0.690 -1.034 10.861 1.00 0.00 H new ATOM 0 HA GLU A 59 -1.192 -3.716 11.824 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -1.643 -0.968 13.032 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -1.955 -2.477 13.866 1.00 0.00 H new ATOM 0 HG2 GLU A 59 0.715 -2.514 12.667 1.00 0.00 H new ATOM 0 HG3 GLU A 59 0.524 -1.098 13.682 1.00 0.00 H new ATOM 958 N ALA A 60 -3.573 -1.779 10.745 1.00 0.00 N ATOM 959 CA ALA A 60 -4.980 -1.728 10.384 1.00 0.00 C ATOM 960 C ALA A 60 -5.341 -0.304 9.955 1.00 0.00 C ATOM 961 O ALA A 60 -4.630 0.645 10.282 1.00 0.00 O ATOM 962 CB ALA A 60 -5.827 -2.215 11.561 1.00 0.00 C ATOM 0 H ALA A 60 -3.019 -0.989 10.414 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.184 -2.388 9.541 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -6.882 -2.177 11.290 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -5.552 -3.241 11.807 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -5.651 -1.575 12.426 1.00 0.00 H new ATOM 968 N VAL A 61 -6.445 -0.201 9.230 1.00 0.00 N ATOM 969 CA VAL A 61 -6.909 1.091 8.753 1.00 0.00 C ATOM 970 C VAL A 61 -8.338 1.327 9.243 1.00 0.00 C ATOM 971 O VAL A 61 -9.064 0.377 9.532 1.00 0.00 O ATOM 972 CB VAL A 61 -6.779 1.164 7.230 1.00 0.00 C ATOM 973 CG1 VAL A 61 -6.816 -0.234 6.609 1.00 0.00 C ATOM 974 CG2 VAL A 61 -7.864 2.059 6.630 1.00 0.00 C ATOM 0 H VAL A 61 -7.032 -0.991 8.961 1.00 0.00 H new ATOM 0 HA VAL A 61 -6.290 1.892 9.157 1.00 0.00 H new ATOM 0 HB VAL A 61 -5.811 1.608 6.997 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -6.722 -0.154 5.526 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -5.991 -0.829 7.002 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -7.761 -0.717 6.856 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -7.749 2.094 5.547 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -8.846 1.656 6.878 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -7.771 3.066 7.037 1.00 0.00 H new ATOM 984 N ALA A 62 -8.700 2.599 9.322 1.00 0.00 N ATOM 985 CA ALA A 62 -10.030 2.972 9.772 1.00 0.00 C ATOM 986 C ALA A 62 -10.487 4.224 9.020 1.00 0.00 C ATOM 987 O ALA A 62 -9.678 5.101 8.720 1.00 0.00 O ATOM 988 CB ALA A 62 -10.018 3.176 11.289 1.00 0.00 C ATOM 0 H ALA A 62 -8.095 3.384 9.082 1.00 0.00 H new ATOM 0 HA ALA A 62 -10.744 2.178 9.555 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -11.016 3.456 11.626 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -9.716 2.250 11.778 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -9.313 3.968 11.544 1.00 0.00 H new ATOM 994 N PRO A 63 -11.814 4.267 8.729 1.00 0.00 N ATOM 995 CA PRO A 63 -12.388 5.397 8.017 1.00 0.00 C ATOM 996 C PRO A 63 -12.513 6.616 8.933 1.00 0.00 C ATOM 997 O PRO A 63 -13.541 6.806 9.582 1.00 0.00 O ATOM 998 CB PRO A 63 -13.729 4.899 7.504 1.00 0.00 C ATOM 999 CG PRO A 63 -14.063 3.671 8.335 1.00 0.00 C ATOM 1000 CD PRO A 63 -12.801 3.246 9.068 1.00 0.00 C ATOM 0 HA PRO A 63 -11.762 5.736 7.191 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -14.497 5.665 7.612 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -13.674 4.650 6.444 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -14.859 3.896 9.045 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -14.423 2.865 7.696 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -12.966 3.196 10.144 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -12.472 2.257 8.750 1.00 0.00 H new ATOM 1008 N GLY A 64 -11.453 7.410 8.956 1.00 0.00 N ATOM 1009 CA GLY A 64 -11.432 8.606 9.782 1.00 0.00 C ATOM 1010 C GLY A 64 -12.238 9.734 9.134 1.00 0.00 C ATOM 1011 O GLY A 64 -12.886 9.529 8.109 1.00 0.00 O ATOM 0 H GLY A 64 -10.603 7.249 8.416 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -11.842 8.380 10.766 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -10.402 8.930 9.933 1.00 0.00 H new ATOM 1015 N THR A 65 -12.170 10.900 9.759 1.00 0.00 N ATOM 1016 CA THR A 65 -12.885 12.061 9.256 1.00 0.00 C ATOM 1017 C THR A 65 -11.899 13.146 8.819 1.00 0.00 C ATOM 1018 O THR A 65 -10.741 13.142 9.234 1.00 0.00 O ATOM 1019 CB THR A 65 -13.857 12.525 10.343 1.00 0.00 C ATOM 1020 OG1 THR A 65 -13.140 12.325 11.558 1.00 0.00 O ATOM 1021 CG2 THR A 65 -15.072 11.604 10.473 1.00 0.00 C ATOM 0 H THR A 65 -11.631 11.066 10.609 1.00 0.00 H new ATOM 0 HA THR A 65 -13.464 11.814 8.366 1.00 0.00 H new ATOM 0 HB THR A 65 -14.191 13.539 10.123 1.00 0.00 H new ATOM 0 HG1 THR A 65 -13.696 12.602 12.316 1.00 0.00 H new ATOM 0 HG21 THR A 65 -15.730 11.978 11.258 1.00 0.00 H new ATOM 0 HG22 THR A 65 -15.613 11.580 9.527 1.00 0.00 H new ATOM 0 HG23 THR A 65 -14.740 10.597 10.727 1.00 0.00 H new ATOM 1029 N PRO A 66 -12.408 14.075 7.965 1.00 0.00 N ATOM 1030 CA PRO A 66 -11.586 15.164 7.468 1.00 0.00 C ATOM 1031 C PRO A 66 -11.369 16.226 8.548 1.00 0.00 C ATOM 1032 O PRO A 66 -12.304 16.592 9.260 1.00 0.00 O ATOM 1033 CB PRO A 66 -12.329 15.695 6.253 1.00 0.00 C ATOM 1034 CG PRO A 66 -13.759 15.196 6.388 1.00 0.00 C ATOM 1035 CD PRO A 66 -13.775 14.112 7.453 1.00 0.00 C ATOM 0 HA PRO A 66 -10.582 14.841 7.194 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -12.297 16.784 6.221 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -11.875 15.335 5.330 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -14.424 16.014 6.665 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -14.117 14.802 5.437 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -14.488 14.345 8.244 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -14.067 13.149 7.034 1.00 0.00 H new ATOM 1043 N THR A 67 -10.132 16.691 8.637 1.00 0.00 N ATOM 1044 CA THR A 67 -9.781 17.703 9.618 1.00 0.00 C ATOM 1045 C THR A 67 -9.385 19.007 8.922 1.00 0.00 C ATOM 1046 O THR A 67 -9.410 19.091 7.695 1.00 0.00 O ATOM 1047 CB THR A 67 -8.679 17.133 10.512 1.00 0.00 C ATOM 1048 OG1 THR A 67 -7.554 17.017 9.646 1.00 0.00 O ATOM 1049 CG2 THR A 67 -8.963 15.694 10.947 1.00 0.00 C ATOM 0 H THR A 67 -9.360 16.385 8.045 1.00 0.00 H new ATOM 0 HA THR A 67 -10.634 17.954 10.249 1.00 0.00 H new ATOM 0 HB THR A 67 -8.566 17.763 11.394 1.00 0.00 H new ATOM 0 HG1 THR A 67 -6.792 16.656 10.146 1.00 0.00 H new ATOM 0 HG21 THR A 67 -8.150 15.338 11.580 1.00 0.00 H new ATOM 0 HG22 THR A 67 -9.898 15.661 11.505 1.00 0.00 H new ATOM 0 HG23 THR A 67 -9.043 15.057 10.066 1.00 0.00 H new ATOM 1057 N ILE A 68 -9.029 19.990 9.735 1.00 0.00 N ATOM 1058 CA ILE A 68 -8.628 21.285 9.212 1.00 0.00 C ATOM 1059 C ILE A 68 -7.302 21.140 8.463 1.00 0.00 C ATOM 1060 O ILE A 68 -6.275 20.835 9.066 1.00 0.00 O ATOM 1061 CB ILE A 68 -8.591 22.327 10.332 1.00 0.00 C ATOM 1062 CG1 ILE A 68 -10.005 22.692 10.790 1.00 0.00 C ATOM 1063 CG2 ILE A 68 -7.790 23.559 9.908 1.00 0.00 C ATOM 1064 CD1 ILE A 68 -10.439 21.824 11.972 1.00 0.00 C ATOM 0 H ILE A 68 -9.010 19.916 10.752 1.00 0.00 H new ATOM 0 HA ILE A 68 -9.362 21.649 8.493 1.00 0.00 H new ATOM 0 HB ILE A 68 -8.079 21.889 11.189 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -10.039 23.744 11.075 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -10.704 22.563 9.963 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -7.779 24.284 10.722 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -6.768 23.264 9.671 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -8.251 24.008 9.028 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -11.447 22.104 12.278 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -10.427 20.775 11.677 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -9.752 21.974 12.805 1.00 0.00 H new ATOM 1076 N GLY A 69 -7.368 21.365 7.159 1.00 0.00 N ATOM 1077 CA GLY A 69 -6.186 21.263 6.321 1.00 0.00 C ATOM 1078 C GLY A 69 -6.465 20.415 5.079 1.00 0.00 C ATOM 1079 O GLY A 69 -5.989 20.729 3.989 1.00 0.00 O ATOM 0 H GLY A 69 -8.222 21.618 6.662 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -5.862 22.259 6.020 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -5.369 20.821 6.891 1.00 0.00 H new ATOM 1083 N ALA A 70 -7.237 19.358 5.284 1.00 0.00 N ATOM 1084 CA ALA A 70 -7.586 18.463 4.194 1.00 0.00 C ATOM 1085 C ALA A 70 -8.095 19.284 3.008 1.00 0.00 C ATOM 1086 O ALA A 70 -8.416 20.463 3.156 1.00 0.00 O ATOM 1087 CB ALA A 70 -8.617 17.443 4.682 1.00 0.00 C ATOM 0 H ALA A 70 -7.631 19.101 6.189 1.00 0.00 H new ATOM 0 HA ALA A 70 -6.710 17.907 3.858 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -8.879 16.771 3.865 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -8.196 16.866 5.505 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -9.511 17.964 5.024 1.00 0.00 H new ATOM 1093 N PRO A 71 -8.154 18.613 1.827 1.00 0.00 N ATOM 1094 CA PRO A 71 -8.618 19.268 0.616 1.00 0.00 C ATOM 1095 C PRO A 71 -10.139 19.440 0.634 1.00 0.00 C ATOM 1096 O PRO A 71 -10.862 18.552 1.081 1.00 0.00 O ATOM 1097 CB PRO A 71 -8.135 18.382 -0.520 1.00 0.00 C ATOM 1098 CG PRO A 71 -7.824 17.032 0.106 1.00 0.00 C ATOM 1099 CD PRO A 71 -7.783 17.217 1.614 1.00 0.00 C ATOM 0 HA PRO A 71 -8.227 20.280 0.509 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -8.898 18.287 -1.293 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -7.250 18.805 -0.996 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -8.583 16.300 -0.168 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -6.869 16.653 -0.258 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -8.477 16.542 2.115 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -6.790 17.006 2.012 1.00 0.00 H new ATOM 1107 N LYS A 72 -10.578 20.590 0.143 1.00 0.00 N ATOM 1108 CA LYS A 72 -11.998 20.890 0.097 1.00 0.00 C ATOM 1109 C LYS A 72 -12.611 20.248 -1.149 1.00 0.00 C ATOM 1110 O LYS A 72 -13.282 20.919 -1.932 1.00 0.00 O ATOM 1111 CB LYS A 72 -12.230 22.400 0.187 1.00 0.00 C ATOM 1112 CG LYS A 72 -12.044 22.898 1.622 1.00 0.00 C ATOM 1113 CD LYS A 72 -13.197 23.813 2.039 1.00 0.00 C ATOM 1114 CE LYS A 72 -12.718 25.256 2.210 1.00 0.00 C ATOM 1115 NZ LYS A 72 -13.872 26.171 2.354 1.00 0.00 N ATOM 0 H LYS A 72 -9.975 21.325 -0.226 1.00 0.00 H new ATOM 0 HA LYS A 72 -12.506 20.460 0.960 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -11.536 22.918 -0.475 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -13.236 22.638 -0.157 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -11.986 22.047 2.301 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -11.100 23.436 1.704 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -13.986 23.775 1.288 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -13.629 23.456 2.974 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -12.075 25.331 3.087 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -12.118 25.551 1.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -13.530 27.146 2.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -14.470 26.112 1.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -14.429 25.899 3.189 1.00 0.00 H new ATOM 1129 N THR A 73 -12.359 18.955 -1.295 1.00 0.00 N ATOM 1130 CA THR A 73 -12.877 18.215 -2.432 1.00 0.00 C ATOM 1131 C THR A 73 -13.308 16.811 -2.004 1.00 0.00 C ATOM 1132 O THR A 73 -14.423 16.383 -2.297 1.00 0.00 O ATOM 1133 CB THR A 73 -11.805 18.214 -3.524 1.00 0.00 C ATOM 1134 OG1 THR A 73 -10.618 17.813 -2.846 1.00 0.00 O ATOM 1135 CG2 THR A 73 -11.486 19.622 -4.032 1.00 0.00 C ATOM 0 H THR A 73 -11.802 18.401 -0.644 1.00 0.00 H new ATOM 0 HA THR A 73 -13.773 18.687 -2.835 1.00 0.00 H new ATOM 0 HB THR A 73 -12.136 17.593 -4.357 1.00 0.00 H new ATOM 0 HG1 THR A 73 -9.872 17.784 -3.481 1.00 0.00 H new ATOM 0 HG21 THR A 73 -10.720 19.565 -4.805 1.00 0.00 H new ATOM 0 HG22 THR A 73 -12.388 20.072 -4.447 1.00 0.00 H new ATOM 0 HG23 THR A 73 -11.123 20.233 -3.206 1.00 0.00 H new ATOM 1143 N VAL A 74 -12.401 16.133 -1.315 1.00 0.00 N ATOM 1144 CA VAL A 74 -12.673 14.786 -0.843 1.00 0.00 C ATOM 1145 C VAL A 74 -13.839 14.823 0.147 1.00 0.00 C ATOM 1146 O VAL A 74 -14.201 15.888 0.646 1.00 0.00 O ATOM 1147 CB VAL A 74 -11.403 14.173 -0.248 1.00 0.00 C ATOM 1148 CG1 VAL A 74 -11.649 12.732 0.202 1.00 0.00 C ATOM 1149 CG2 VAL A 74 -10.242 14.248 -1.241 1.00 0.00 C ATOM 0 H VAL A 74 -11.477 16.492 -1.073 1.00 0.00 H new ATOM 0 HA VAL A 74 -12.970 14.144 -1.672 1.00 0.00 H new ATOM 0 HB VAL A 74 -11.129 14.756 0.632 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -10.731 12.320 0.621 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -12.433 12.716 0.960 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -11.959 12.132 -0.653 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -9.352 13.806 -0.794 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -10.503 13.701 -2.147 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -10.043 15.290 -1.490 1.00 0.00 H new ATOM 1159 N ASP A 75 -14.396 13.648 0.401 1.00 0.00 N ATOM 1160 CA ASP A 75 -15.513 13.532 1.322 1.00 0.00 C ATOM 1161 C ASP A 75 -15.085 12.707 2.537 1.00 0.00 C ATOM 1162 O ASP A 75 -14.228 11.831 2.426 1.00 0.00 O ATOM 1163 CB ASP A 75 -16.699 12.824 0.664 1.00 0.00 C ATOM 1164 CG ASP A 75 -17.988 13.644 0.600 1.00 0.00 C ATOM 1165 OD1 ASP A 75 -18.145 14.378 -0.400 1.00 0.00 O ATOM 1166 OD2 ASP A 75 -18.788 13.519 1.552 1.00 0.00 O ATOM 0 H ASP A 75 -14.094 12.767 -0.016 1.00 0.00 H new ATOM 0 HA ASP A 75 -15.812 14.538 1.616 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -16.416 12.540 -0.350 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -16.900 11.902 1.209 1.00 0.00 H new ATOM 1171 N GLU A 76 -15.699 13.016 3.669 1.00 0.00 N ATOM 1172 CA GLU A 76 -15.392 12.314 4.904 1.00 0.00 C ATOM 1173 C GLU A 76 -15.514 10.803 4.699 1.00 0.00 C ATOM 1174 O GLU A 76 -14.958 10.022 5.470 1.00 0.00 O ATOM 1175 CB GLU A 76 -16.295 12.788 6.044 1.00 0.00 C ATOM 1176 CG GLU A 76 -17.739 12.329 5.827 1.00 0.00 C ATOM 1177 CD GLU A 76 -18.565 13.421 5.143 1.00 0.00 C ATOM 1178 OE1 GLU A 76 -18.407 14.591 5.552 1.00 0.00 O ATOM 1179 OE2 GLU A 76 -19.335 13.060 4.228 1.00 0.00 O ATOM 0 H GLU A 76 -16.408 13.744 3.757 1.00 0.00 H new ATOM 0 HA GLU A 76 -14.363 12.542 5.182 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -15.924 12.398 6.992 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -16.261 13.875 6.111 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -17.749 11.425 5.218 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -18.191 12.073 6.785 1.00 0.00 H new ATOM 1186 N LYS A 77 -16.245 10.436 3.657 1.00 0.00 N ATOM 1187 CA LYS A 77 -16.448 9.032 3.342 1.00 0.00 C ATOM 1188 C LYS A 77 -15.357 8.569 2.374 1.00 0.00 C ATOM 1189 O LYS A 77 -15.590 7.688 1.547 1.00 0.00 O ATOM 1190 CB LYS A 77 -17.869 8.799 2.825 1.00 0.00 C ATOM 1191 CG LYS A 77 -18.895 8.970 3.946 1.00 0.00 C ATOM 1192 CD LYS A 77 -20.241 8.356 3.556 1.00 0.00 C ATOM 1193 CE LYS A 77 -21.259 9.443 3.205 1.00 0.00 C ATOM 1194 NZ LYS A 77 -22.234 9.616 4.305 1.00 0.00 N ATOM 0 H LYS A 77 -16.704 11.087 3.020 1.00 0.00 H new ATOM 0 HA LYS A 77 -16.357 8.422 4.241 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -18.086 9.500 2.019 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -17.947 7.796 2.405 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -18.526 8.498 4.857 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -19.025 10.030 4.166 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -20.107 7.689 2.704 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -20.620 7.750 4.379 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -20.744 10.385 3.017 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -21.782 9.177 2.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -22.917 10.357 4.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -22.738 8.721 4.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -21.732 9.892 5.173 1.00 0.00 H new ATOM 1208 N ALA A 78 -14.191 9.184 2.508 1.00 0.00 N ATOM 1209 CA ALA A 78 -13.064 8.845 1.656 1.00 0.00 C ATOM 1210 C ALA A 78 -11.761 9.117 2.409 1.00 0.00 C ATOM 1211 O ALA A 78 -10.711 9.302 1.794 1.00 0.00 O ATOM 1212 CB ALA A 78 -13.158 9.635 0.348 1.00 0.00 C ATOM 0 H ALA A 78 -14.002 9.915 3.194 1.00 0.00 H new ATOM 0 HA ALA A 78 -13.081 7.786 1.400 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -12.313 9.381 -0.292 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -14.088 9.384 -0.163 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -13.140 10.703 0.566 1.00 0.00 H new ATOM 1218 N PHE A 79 -11.870 9.133 3.729 1.00 0.00 N ATOM 1219 CA PHE A 79 -10.713 9.379 4.573 1.00 0.00 C ATOM 1220 C PHE A 79 -10.444 8.189 5.496 1.00 0.00 C ATOM 1221 O PHE A 79 -11.190 7.954 6.446 1.00 0.00 O ATOM 1222 CB PHE A 79 -11.034 10.608 5.425 1.00 0.00 C ATOM 1223 CG PHE A 79 -10.757 11.940 4.726 1.00 0.00 C ATOM 1224 CD1 PHE A 79 -9.512 12.486 4.771 1.00 0.00 C ATOM 1225 CD2 PHE A 79 -11.756 12.579 4.059 1.00 0.00 C ATOM 1226 CE1 PHE A 79 -9.255 13.722 4.121 1.00 0.00 C ATOM 1227 CE2 PHE A 79 -11.499 13.815 3.409 1.00 0.00 C ATOM 1228 CZ PHE A 79 -10.254 14.361 3.454 1.00 0.00 C ATOM 0 H PHE A 79 -12.742 8.980 4.235 1.00 0.00 H new ATOM 0 HA PHE A 79 -9.828 9.532 3.955 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -12.084 10.573 5.714 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -10.449 10.563 6.344 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -8.719 11.979 5.301 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -12.745 12.146 4.024 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -8.266 14.155 4.156 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -12.292 14.322 2.879 1.00 0.00 H new ATOM 0 HZ PHE A 79 -10.059 15.302 2.960 1.00 0.00 H new ATOM 1238 N PHE A 80 -9.377 7.468 5.185 1.00 0.00 N ATOM 1239 CA PHE A 80 -9.000 6.308 5.975 1.00 0.00 C ATOM 1240 C PHE A 80 -7.589 6.466 6.544 1.00 0.00 C ATOM 1241 O PHE A 80 -6.654 6.791 5.813 1.00 0.00 O ATOM 1242 CB PHE A 80 -9.027 5.100 5.036 1.00 0.00 C ATOM 1243 CG PHE A 80 -7.951 5.133 3.950 1.00 0.00 C ATOM 1244 CD1 PHE A 80 -8.115 5.922 2.854 1.00 0.00 C ATOM 1245 CD2 PHE A 80 -6.830 4.374 4.079 1.00 0.00 C ATOM 1246 CE1 PHE A 80 -7.116 5.952 1.845 1.00 0.00 C ATOM 1247 CE2 PHE A 80 -5.831 4.404 3.070 1.00 0.00 C ATOM 1248 CZ PHE A 80 -5.995 5.192 1.974 1.00 0.00 C ATOM 0 H PHE A 80 -8.761 7.665 4.396 1.00 0.00 H new ATOM 0 HA PHE A 80 -9.688 6.188 6.812 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -8.906 4.191 5.626 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -10.007 5.044 4.561 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -9.005 6.525 2.751 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -6.699 3.748 4.949 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -7.246 6.578 0.975 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -4.941 3.801 3.173 1.00 0.00 H new ATOM 0 HZ PHE A 80 -5.236 5.215 1.206 1.00 0.00 H new ATOM 1258 N ASP A 81 -7.479 6.230 7.843 1.00 0.00 N ATOM 1259 CA ASP A 81 -6.197 6.342 8.518 1.00 0.00 C ATOM 1260 C ASP A 81 -5.512 4.974 8.534 1.00 0.00 C ATOM 1261 O ASP A 81 -6.021 4.028 9.134 1.00 0.00 O ATOM 1262 CB ASP A 81 -6.376 6.798 9.967 1.00 0.00 C ATOM 1263 CG ASP A 81 -5.731 8.144 10.305 1.00 0.00 C ATOM 1264 OD1 ASP A 81 -4.498 8.149 10.506 1.00 0.00 O ATOM 1265 OD2 ASP A 81 -6.487 9.139 10.355 1.00 0.00 O ATOM 0 H ASP A 81 -8.257 5.962 8.446 1.00 0.00 H new ATOM 0 HA ASP A 81 -5.596 7.075 7.980 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -7.442 6.858 10.184 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -5.959 6.036 10.626 1.00 0.00 H new ATOM 1270 N VAL A 82 -4.369 4.912 7.867 1.00 0.00 N ATOM 1271 CA VAL A 82 -3.610 3.675 7.797 1.00 0.00 C ATOM 1272 C VAL A 82 -2.614 3.627 8.958 1.00 0.00 C ATOM 1273 O VAL A 82 -1.609 4.337 8.948 1.00 0.00 O ATOM 1274 CB VAL A 82 -2.939 3.549 6.428 1.00 0.00 C ATOM 1275 CG1 VAL A 82 -1.889 2.436 6.432 1.00 0.00 C ATOM 1276 CG2 VAL A 82 -3.977 3.321 5.328 1.00 0.00 C ATOM 0 H VAL A 82 -3.950 5.698 7.370 1.00 0.00 H new ATOM 0 HA VAL A 82 -4.271 2.815 7.900 1.00 0.00 H new ATOM 0 HB VAL A 82 -2.429 4.489 6.217 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -1.427 2.368 5.447 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -1.125 2.660 7.176 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -2.366 1.487 6.676 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -3.474 3.235 4.365 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -4.528 2.403 5.533 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -4.670 4.162 5.301 1.00 0.00 H new ATOM 1286 N LYS A 83 -2.927 2.782 9.930 1.00 0.00 N ATOM 1287 CA LYS A 83 -2.072 2.632 11.095 1.00 0.00 C ATOM 1288 C LYS A 83 -0.911 1.696 10.753 1.00 0.00 C ATOM 1289 O LYS A 83 -1.124 0.601 10.236 1.00 0.00 O ATOM 1290 CB LYS A 83 -2.891 2.181 12.306 1.00 0.00 C ATOM 1291 CG LYS A 83 -3.790 3.310 12.812 1.00 0.00 C ATOM 1292 CD LYS A 83 -5.125 2.762 13.319 1.00 0.00 C ATOM 1293 CE LYS A 83 -5.913 3.841 14.066 1.00 0.00 C ATOM 1294 NZ LYS A 83 -5.642 3.769 15.519 1.00 0.00 N ATOM 0 H LYS A 83 -3.761 2.194 9.934 1.00 0.00 H new ATOM 0 HA LYS A 83 -1.636 3.591 11.374 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -3.501 1.319 12.036 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -2.221 1.860 13.103 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -3.286 3.849 13.614 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -3.968 4.026 12.009 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -5.713 2.393 12.479 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -4.947 1.914 13.980 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -5.640 4.826 13.688 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -6.980 3.713 13.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -6.184 4.508 16.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -5.924 2.835 15.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -4.626 3.914 15.690 1.00 0.00 H new ATOM 1308 N THR A 84 0.292 2.161 11.057 1.00 0.00 N ATOM 1309 CA THR A 84 1.486 1.379 10.788 1.00 0.00 C ATOM 1310 C THR A 84 2.442 1.438 11.982 1.00 0.00 C ATOM 1311 O THR A 84 2.208 2.182 12.933 1.00 0.00 O ATOM 1312 CB THR A 84 2.106 1.894 9.488 1.00 0.00 C ATOM 1313 OG1 THR A 84 1.884 3.300 9.530 1.00 0.00 O ATOM 1314 CG2 THR A 84 1.337 1.431 8.249 1.00 0.00 C ATOM 0 H THR A 84 0.465 3.070 11.487 1.00 0.00 H new ATOM 0 HA THR A 84 1.246 0.324 10.655 1.00 0.00 H new ATOM 0 HB THR A 84 3.140 1.556 9.420 1.00 0.00 H new ATOM 0 HG1 THR A 84 2.114 3.641 10.420 1.00 0.00 H new ATOM 0 HG21 THR A 84 1.819 1.824 7.354 1.00 0.00 H new ATOM 0 HG22 THR A 84 1.332 0.342 8.210 1.00 0.00 H new ATOM 0 HG23 THR A 84 0.311 1.797 8.299 1.00 0.00 H new ATOM 1322 N THR A 85 3.498 0.643 11.893 1.00 0.00 N ATOM 1323 CA THR A 85 4.490 0.595 12.954 1.00 0.00 C ATOM 1324 C THR A 85 5.216 1.937 13.066 1.00 0.00 C ATOM 1325 O THR A 85 5.302 2.512 14.150 1.00 0.00 O ATOM 1326 CB THR A 85 5.427 -0.581 12.673 1.00 0.00 C ATOM 1327 OG1 THR A 85 6.157 -0.175 11.518 1.00 0.00 O ATOM 1328 CG2 THR A 85 4.675 -1.833 12.217 1.00 0.00 C ATOM 0 H THR A 85 3.688 0.027 11.103 1.00 0.00 H new ATOM 0 HA THR A 85 4.023 0.432 13.925 1.00 0.00 H new ATOM 0 HB THR A 85 6.002 -0.809 13.571 1.00 0.00 H new ATOM 0 HG1 THR A 85 6.542 -0.963 11.081 1.00 0.00 H new ATOM 0 HG21 THR A 85 5.387 -2.637 12.031 1.00 0.00 H new ATOM 0 HG22 THR A 85 3.975 -2.140 12.994 1.00 0.00 H new ATOM 0 HG23 THR A 85 4.127 -1.615 11.301 1.00 0.00 H new ATOM 1336 N ARG A 86 5.720 2.398 11.931 1.00 0.00 N ATOM 1337 CA ARG A 86 6.436 3.661 11.888 1.00 0.00 C ATOM 1338 C ARG A 86 5.619 4.758 12.574 1.00 0.00 C ATOM 1339 O ARG A 86 6.026 5.285 13.609 1.00 0.00 O ATOM 1340 CB ARG A 86 6.728 4.080 10.446 1.00 0.00 C ATOM 1341 CG ARG A 86 8.055 3.493 9.962 1.00 0.00 C ATOM 1342 CD ARG A 86 9.011 4.599 9.509 1.00 0.00 C ATOM 1343 NE ARG A 86 10.364 4.354 10.058 1.00 0.00 N ATOM 1344 CZ ARG A 86 11.244 3.492 9.531 1.00 0.00 C ATOM 1345 NH1 ARG A 86 10.919 2.786 8.439 1.00 0.00 N ATOM 1346 NH2 ARG A 86 12.449 3.335 10.096 1.00 0.00 N ATOM 0 H ARG A 86 5.647 1.919 11.034 1.00 0.00 H new ATOM 0 HA ARG A 86 7.381 3.524 12.413 1.00 0.00 H new ATOM 0 HB2 ARG A 86 5.920 3.746 9.796 1.00 0.00 H new ATOM 0 HB3 ARG A 86 6.762 5.167 10.379 1.00 0.00 H new ATOM 0 HG2 ARG A 86 8.515 2.915 10.764 1.00 0.00 H new ATOM 0 HG3 ARG A 86 7.873 2.804 9.137 1.00 0.00 H new ATOM 0 HD2 ARG A 86 9.052 4.633 8.420 1.00 0.00 H new ATOM 0 HD3 ARG A 86 8.643 5.569 9.844 1.00 0.00 H new ATOM 0 HE ARG A 86 10.644 4.874 10.890 1.00 0.00 H new ATOM 0 HH11 ARG A 86 10.002 2.905 8.009 1.00 0.00 H new ATOM 0 HH12 ARG A 86 11.589 2.130 8.038 1.00 0.00 H new ATOM 0 HH21 ARG A 86 12.696 3.872 10.927 1.00 0.00 H new ATOM 0 HH22 ARG A 86 13.119 2.679 9.695 1.00 0.00 H new ATOM 1360 N ARG A 87 4.481 5.069 11.972 1.00 0.00 N ATOM 1361 CA ARG A 87 3.603 6.093 12.512 1.00 0.00 C ATOM 1362 C ARG A 87 2.204 5.967 11.906 1.00 0.00 C ATOM 1363 O ARG A 87 1.904 4.987 11.226 1.00 0.00 O ATOM 1364 CB ARG A 87 4.150 7.493 12.227 1.00 0.00 C ATOM 1365 CG ARG A 87 4.201 7.767 10.723 1.00 0.00 C ATOM 1366 CD ARG A 87 5.454 8.562 10.352 1.00 0.00 C ATOM 1367 NE ARG A 87 5.186 9.404 9.164 1.00 0.00 N ATOM 1368 CZ ARG A 87 6.078 10.244 8.622 1.00 0.00 C ATOM 1369 NH1 ARG A 87 7.301 10.360 9.159 1.00 0.00 N ATOM 1370 NH2 ARG A 87 5.748 10.968 7.544 1.00 0.00 N ATOM 0 H ARG A 87 4.146 4.629 11.115 1.00 0.00 H new ATOM 0 HA ARG A 87 3.549 5.948 13.591 1.00 0.00 H new ATOM 0 HB2 ARG A 87 3.522 8.239 12.715 1.00 0.00 H new ATOM 0 HB3 ARG A 87 5.149 7.590 12.652 1.00 0.00 H new ATOM 0 HG2 ARG A 87 4.190 6.823 10.177 1.00 0.00 H new ATOM 0 HG3 ARG A 87 3.312 8.321 10.420 1.00 0.00 H new ATOM 0 HD2 ARG A 87 5.759 9.188 11.190 1.00 0.00 H new ATOM 0 HD3 ARG A 87 6.279 7.881 10.146 1.00 0.00 H new ATOM 0 HE ARG A 87 4.265 9.341 8.731 1.00 0.00 H new ATOM 0 HH11 ARG A 87 7.552 9.809 9.980 1.00 0.00 H new ATOM 0 HH12 ARG A 87 7.980 10.999 8.747 1.00 0.00 H new ATOM 0 HH21 ARG A 87 4.817 10.880 7.136 1.00 0.00 H new ATOM 0 HH22 ARG A 87 6.427 11.607 7.132 1.00 0.00 H new ATOM 1384 N VAL A 88 1.384 6.972 12.176 1.00 0.00 N ATOM 1385 CA VAL A 88 0.023 6.986 11.666 1.00 0.00 C ATOM 1386 C VAL A 88 -0.026 7.812 10.379 1.00 0.00 C ATOM 1387 O VAL A 88 0.512 8.917 10.326 1.00 0.00 O ATOM 1388 CB VAL A 88 -0.934 7.499 12.743 1.00 0.00 C ATOM 1389 CG1 VAL A 88 -2.145 8.192 12.116 1.00 0.00 C ATOM 1390 CG2 VAL A 88 -1.372 6.365 13.673 1.00 0.00 C ATOM 0 H VAL A 88 1.636 7.783 12.741 1.00 0.00 H new ATOM 0 HA VAL A 88 -0.302 5.976 11.416 1.00 0.00 H new ATOM 0 HB VAL A 88 -0.399 8.236 13.342 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -2.809 8.547 12.904 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -1.810 9.038 11.515 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -2.680 7.486 11.481 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -2.052 6.757 14.429 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -1.880 5.594 13.093 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -0.497 5.935 14.160 1.00 0.00 H new ATOM 1400 N TYR A 89 -0.676 7.244 9.374 1.00 0.00 N ATOM 1401 CA TYR A 89 -0.803 7.915 8.091 1.00 0.00 C ATOM 1402 C TYR A 89 -2.222 8.451 7.890 1.00 0.00 C ATOM 1403 O TYR A 89 -3.183 7.883 8.407 1.00 0.00 O ATOM 1404 CB TYR A 89 -0.517 6.851 7.029 1.00 0.00 C ATOM 1405 CG TYR A 89 0.938 6.381 6.995 1.00 0.00 C ATOM 1406 CD1 TYR A 89 1.963 7.300 7.098 1.00 0.00 C ATOM 1407 CD2 TYR A 89 1.227 5.039 6.860 1.00 0.00 C ATOM 1408 CE1 TYR A 89 3.333 6.858 7.066 1.00 0.00 C ATOM 1409 CE2 TYR A 89 2.597 4.596 6.828 1.00 0.00 C ATOM 1410 CZ TYR A 89 3.582 5.528 6.932 1.00 0.00 C ATOM 1411 OH TYR A 89 4.876 5.110 6.902 1.00 0.00 O ATOM 0 H TYR A 89 -1.120 6.327 9.422 1.00 0.00 H new ATOM 0 HA TYR A 89 -0.118 8.761 8.031 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -1.162 5.991 7.209 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -0.782 7.249 6.050 1.00 0.00 H new ATOM 0 HD1 TYR A 89 1.737 8.351 7.203 1.00 0.00 H new ATOM 0 HD2 TYR A 89 0.425 4.320 6.778 1.00 0.00 H new ATOM 0 HE1 TYR A 89 4.144 7.567 7.147 1.00 0.00 H new ATOM 0 HE2 TYR A 89 2.837 3.548 6.724 1.00 0.00 H new ATOM 0 HH TYR A 89 4.903 4.135 6.803 1.00 0.00 H new ATOM 1421 N ASN A 90 -2.308 9.539 7.139 1.00 0.00 N ATOM 1422 CA ASN A 90 -3.594 10.158 6.864 1.00 0.00 C ATOM 1423 C ASN A 90 -3.840 10.161 5.354 1.00 0.00 C ATOM 1424 O ASN A 90 -3.607 11.166 4.685 1.00 0.00 O ATOM 1425 CB ASN A 90 -3.622 11.608 7.350 1.00 0.00 C ATOM 1426 CG ASN A 90 -4.335 11.720 8.699 1.00 0.00 C ATOM 1427 OD1 ASN A 90 -5.515 12.018 8.784 1.00 0.00 O ATOM 1428 ND2 ASN A 90 -3.555 11.465 9.746 1.00 0.00 N ATOM 0 H ASN A 90 -1.509 10.008 6.713 1.00 0.00 H new ATOM 0 HA ASN A 90 -4.362 9.588 7.386 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -2.603 11.985 7.441 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -4.128 12.232 6.614 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -3.937 11.513 10.690 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -2.575 11.221 9.604 1.00 0.00 H new ATOM 1435 N PHE A 91 -4.309 9.024 4.860 1.00 0.00 N ATOM 1436 CA PHE A 91 -4.590 8.882 3.442 1.00 0.00 C ATOM 1437 C PHE A 91 -6.081 9.069 3.157 1.00 0.00 C ATOM 1438 O PHE A 91 -6.912 8.914 4.051 1.00 0.00 O ATOM 1439 CB PHE A 91 -4.181 7.463 3.044 1.00 0.00 C ATOM 1440 CG PHE A 91 -2.687 7.176 3.209 1.00 0.00 C ATOM 1441 CD1 PHE A 91 -1.770 7.970 2.594 1.00 0.00 C ATOM 1442 CD2 PHE A 91 -2.276 6.127 3.971 1.00 0.00 C ATOM 1443 CE1 PHE A 91 -0.384 7.704 2.747 1.00 0.00 C ATOM 1444 CE2 PHE A 91 -0.889 5.861 4.125 1.00 0.00 C ATOM 1445 CZ PHE A 91 0.027 6.655 3.509 1.00 0.00 C ATOM 0 H PHE A 91 -4.501 8.192 5.418 1.00 0.00 H new ATOM 0 HA PHE A 91 -4.042 9.636 2.877 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -4.746 6.751 3.646 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -4.460 7.294 2.004 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -2.096 8.803 1.989 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -3.004 5.496 4.459 1.00 0.00 H new ATOM 0 HE1 PHE A 91 0.344 8.335 2.258 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -0.562 5.029 4.731 1.00 0.00 H new ATOM 0 HZ PHE A 91 1.082 6.453 3.625 1.00 0.00 H new ATOM 1455 N CYS A 92 -6.376 9.401 1.908 1.00 0.00 N ATOM 1456 CA CYS A 92 -7.752 9.611 1.494 1.00 0.00 C ATOM 1457 C CYS A 92 -7.803 9.587 -0.035 1.00 0.00 C ATOM 1458 O CYS A 92 -6.917 10.125 -0.697 1.00 0.00 O ATOM 1459 CB CYS A 92 -8.323 10.911 2.065 1.00 0.00 C ATOM 1460 SG CYS A 92 -7.141 12.282 1.798 1.00 0.00 S ATOM 0 H CYS A 92 -5.684 9.530 1.169 1.00 0.00 H new ATOM 0 HA CYS A 92 -8.379 8.812 1.889 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -9.275 11.141 1.586 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -8.522 10.794 3.130 1.00 0.00 H new ATOM 0 HG CYS A 92 -7.490 13.303 2.522 1.00 0.00 H new ATOM 1466 N ALA A 93 -8.849 8.959 -0.551 1.00 0.00 N ATOM 1467 CA ALA A 93 -9.027 8.859 -1.989 1.00 0.00 C ATOM 1468 C ALA A 93 -9.651 10.154 -2.513 1.00 0.00 C ATOM 1469 O ALA A 93 -10.011 11.033 -1.733 1.00 0.00 O ATOM 1470 CB ALA A 93 -9.878 7.629 -2.314 1.00 0.00 C ATOM 0 H ALA A 93 -9.582 8.514 0.001 1.00 0.00 H new ATOM 0 HA ALA A 93 -8.066 8.731 -2.486 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -10.012 7.554 -3.393 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -9.377 6.733 -1.947 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -10.852 7.723 -1.833 1.00 0.00 H new ATOM 1476 N GLN A 94 -9.760 10.230 -3.831 1.00 0.00 N ATOM 1477 CA GLN A 94 -10.334 11.402 -4.469 1.00 0.00 C ATOM 1478 C GLN A 94 -11.855 11.265 -4.562 1.00 0.00 C ATOM 1479 O GLN A 94 -12.560 12.254 -4.755 1.00 0.00 O ATOM 1480 CB GLN A 94 -9.719 11.632 -5.851 1.00 0.00 C ATOM 1481 CG GLN A 94 -8.771 12.833 -5.836 1.00 0.00 C ATOM 1482 CD GLN A 94 -9.288 13.950 -6.745 1.00 0.00 C ATOM 1483 OE1 GLN A 94 -9.733 14.994 -6.298 1.00 0.00 O ATOM 1484 NE2 GLN A 94 -9.205 13.673 -8.044 1.00 0.00 N ATOM 0 H GLN A 94 -9.460 9.498 -4.475 1.00 0.00 H new ATOM 0 HA GLN A 94 -10.104 12.273 -3.856 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -9.177 10.740 -6.165 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -10.510 11.798 -6.582 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -8.668 13.207 -4.817 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -7.779 12.522 -6.164 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -8.822 12.779 -8.351 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -9.525 14.355 -8.732 1.00 0.00 H new ATOM 1493 N ASP A 95 -12.315 10.031 -4.420 1.00 0.00 N ATOM 1494 CA ASP A 95 -13.740 9.751 -4.486 1.00 0.00 C ATOM 1495 C ASP A 95 -14.147 8.915 -3.271 1.00 0.00 C ATOM 1496 O ASP A 95 -13.297 8.334 -2.599 1.00 0.00 O ATOM 1497 CB ASP A 95 -14.087 8.956 -5.745 1.00 0.00 C ATOM 1498 CG ASP A 95 -13.238 9.287 -6.974 1.00 0.00 C ATOM 1499 OD1 ASP A 95 -12.562 10.337 -6.930 1.00 0.00 O ATOM 1500 OD2 ASP A 95 -13.285 8.483 -7.930 1.00 0.00 O ATOM 0 H ASP A 95 -11.727 9.213 -4.259 1.00 0.00 H new ATOM 0 HA ASP A 95 -14.271 10.703 -4.504 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -13.983 7.893 -5.526 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -15.135 9.130 -5.989 1.00 0.00 H new ATOM 1505 N VAL A 96 -15.449 8.881 -3.026 1.00 0.00 N ATOM 1506 CA VAL A 96 -15.980 8.126 -1.904 1.00 0.00 C ATOM 1507 C VAL A 96 -15.838 6.629 -2.190 1.00 0.00 C ATOM 1508 O VAL A 96 -15.377 5.872 -1.337 1.00 0.00 O ATOM 1509 CB VAL A 96 -17.424 8.547 -1.626 1.00 0.00 C ATOM 1510 CG1 VAL A 96 -18.280 7.342 -1.229 1.00 0.00 C ATOM 1511 CG2 VAL A 96 -17.481 9.637 -0.554 1.00 0.00 C ATOM 0 H VAL A 96 -16.152 9.364 -3.586 1.00 0.00 H new ATOM 0 HA VAL A 96 -15.414 8.340 -0.998 1.00 0.00 H new ATOM 0 HB VAL A 96 -17.835 8.961 -2.547 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -19.302 7.669 -1.037 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -18.279 6.612 -2.039 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -17.870 6.885 -0.328 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -18.519 9.918 -0.376 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -17.043 9.261 0.371 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -16.922 10.509 -0.892 1.00 0.00 H new ATOM 1521 N PRO A 97 -16.254 6.237 -3.424 1.00 0.00 N ATOM 1522 CA PRO A 97 -16.177 4.845 -3.832 1.00 0.00 C ATOM 1523 C PRO A 97 -14.735 4.446 -4.153 1.00 0.00 C ATOM 1524 O PRO A 97 -14.408 3.261 -4.186 1.00 0.00 O ATOM 1525 CB PRO A 97 -17.105 4.736 -5.032 1.00 0.00 C ATOM 1526 CG PRO A 97 -17.304 6.156 -5.535 1.00 0.00 C ATOM 1527 CD PRO A 97 -16.805 7.106 -4.459 1.00 0.00 C ATOM 0 HA PRO A 97 -16.484 4.158 -3.044 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -16.669 4.105 -5.807 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -18.056 4.284 -4.750 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -16.757 6.312 -6.465 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -18.357 6.341 -5.749 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -16.048 7.785 -4.851 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -17.615 7.723 -4.069 1.00 0.00 H new ATOM 1535 N SER A 98 -13.912 5.459 -4.381 1.00 0.00 N ATOM 1536 CA SER A 98 -12.513 5.228 -4.698 1.00 0.00 C ATOM 1537 C SER A 98 -11.741 4.865 -3.428 1.00 0.00 C ATOM 1538 O SER A 98 -10.829 4.041 -3.465 1.00 0.00 O ATOM 1539 CB SER A 98 -11.889 6.456 -5.365 1.00 0.00 C ATOM 1540 OG SER A 98 -12.273 6.574 -6.732 1.00 0.00 O ATOM 0 H SER A 98 -14.187 6.441 -4.353 1.00 0.00 H new ATOM 0 HA SER A 98 -12.455 4.397 -5.401 1.00 0.00 H new ATOM 0 HB2 SER A 98 -12.190 7.354 -4.825 1.00 0.00 H new ATOM 0 HB3 SER A 98 -10.803 6.392 -5.298 1.00 0.00 H new ATOM 0 HG SER A 98 -11.627 7.138 -7.206 1.00 0.00 H new ATOM 1546 N ALA A 99 -12.135 5.499 -2.333 1.00 0.00 N ATOM 1547 CA ALA A 99 -11.492 5.253 -1.053 1.00 0.00 C ATOM 1548 C ALA A 99 -11.807 3.828 -0.595 1.00 0.00 C ATOM 1549 O ALA A 99 -10.900 3.056 -0.286 1.00 0.00 O ATOM 1550 CB ALA A 99 -11.949 6.306 -0.041 1.00 0.00 C ATOM 0 H ALA A 99 -12.891 6.183 -2.306 1.00 0.00 H new ATOM 0 HA ALA A 99 -10.409 5.338 -1.145 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -11.467 6.121 0.919 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -11.675 7.298 -0.400 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -13.031 6.249 0.080 1.00 0.00 H new ATOM 1556 N GLN A 100 -13.096 3.522 -0.564 1.00 0.00 N ATOM 1557 CA GLN A 100 -13.542 2.203 -0.148 1.00 0.00 C ATOM 1558 C GLN A 100 -12.683 1.120 -0.804 1.00 0.00 C ATOM 1559 O GLN A 100 -12.289 0.155 -0.152 1.00 0.00 O ATOM 1560 CB GLN A 100 -15.024 1.998 -0.471 1.00 0.00 C ATOM 1561 CG GLN A 100 -15.893 3.010 0.278 1.00 0.00 C ATOM 1562 CD GLN A 100 -15.786 2.812 1.791 1.00 0.00 C ATOM 1563 OE1 GLN A 100 -15.334 1.789 2.279 1.00 0.00 O ATOM 1564 NE2 GLN A 100 -16.227 3.844 2.505 1.00 0.00 N ATOM 0 H GLN A 100 -13.846 4.165 -0.820 1.00 0.00 H new ATOM 0 HA GLN A 100 -13.425 2.126 0.933 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -15.184 2.100 -1.544 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -15.322 0.985 -0.199 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -15.585 4.022 0.018 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -16.932 2.903 -0.034 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -16.593 4.671 2.034 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -16.199 3.808 3.524 1.00 0.00 H new ATOM 1573 N GLN A 101 -12.419 1.317 -2.088 1.00 0.00 N ATOM 1574 CA GLN A 101 -11.614 0.370 -2.840 1.00 0.00 C ATOM 1575 C GLN A 101 -10.207 0.279 -2.246 1.00 0.00 C ATOM 1576 O GLN A 101 -9.682 -0.815 -2.047 1.00 0.00 O ATOM 1577 CB GLN A 101 -11.561 0.750 -4.321 1.00 0.00 C ATOM 1578 CG GLN A 101 -12.864 0.376 -5.030 1.00 0.00 C ATOM 1579 CD GLN A 101 -12.609 0.034 -6.500 1.00 0.00 C ATOM 1580 OE1 GLN A 101 -12.477 0.898 -7.351 1.00 0.00 O ATOM 1581 NE2 GLN A 101 -12.548 -1.271 -6.749 1.00 0.00 N ATOM 0 H GLN A 101 -12.749 2.118 -2.626 1.00 0.00 H new ATOM 0 HA GLN A 101 -12.081 -0.612 -2.767 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -11.384 1.821 -4.419 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -10.724 0.243 -4.800 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -13.323 -0.476 -4.529 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -13.570 1.204 -4.963 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -12.667 -1.941 -5.989 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -12.382 -1.602 -7.700 1.00 0.00 H new ATOM 1590 N TRP A 102 -9.636 1.445 -1.979 1.00 0.00 N ATOM 1591 CA TRP A 102 -8.300 1.511 -1.411 1.00 0.00 C ATOM 1592 C TRP A 102 -8.297 0.702 -0.113 1.00 0.00 C ATOM 1593 O TRP A 102 -7.526 -0.245 0.032 1.00 0.00 O ATOM 1594 CB TRP A 102 -7.860 2.963 -1.213 1.00 0.00 C ATOM 1595 CG TRP A 102 -7.275 3.613 -2.467 1.00 0.00 C ATOM 1596 CD1 TRP A 102 -7.848 4.518 -3.272 1.00 0.00 C ATOM 1597 CD2 TRP A 102 -5.969 3.371 -3.032 1.00 0.00 C ATOM 1598 NE1 TRP A 102 -7.012 4.874 -4.310 1.00 0.00 N ATOM 1599 CE2 TRP A 102 -5.832 4.155 -4.159 1.00 0.00 C ATOM 1600 CE3 TRP A 102 -4.937 2.517 -2.604 1.00 0.00 C ATOM 1601 CZ2 TRP A 102 -4.678 4.163 -4.952 1.00 0.00 C ATOM 1602 CZ3 TRP A 102 -3.790 2.537 -3.407 1.00 0.00 C ATOM 1603 CH2 TRP A 102 -3.637 3.321 -4.545 1.00 0.00 C ATOM 0 H TRP A 102 -10.074 2.351 -2.145 1.00 0.00 H new ATOM 0 HA TRP A 102 -7.569 1.076 -2.093 1.00 0.00 H new ATOM 0 HB2 TRP A 102 -8.716 3.549 -0.879 1.00 0.00 H new ATOM 0 HB3 TRP A 102 -7.117 3.001 -0.416 1.00 0.00 H new ATOM 0 HD1 TRP A 102 -8.840 4.919 -3.126 1.00 0.00 H new ATOM 0 HE1 TRP A 102 -7.221 5.542 -5.052 1.00 0.00 H new ATOM 0 HE3 TRP A 102 -5.022 1.895 -1.725 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 -4.596 4.786 -5.831 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 -2.967 1.899 -3.122 1.00 0.00 H new ATOM 0 HH2 TRP A 102 -2.719 3.280 -5.112 1.00 0.00 H new ATOM 1614 N VAL A 103 -9.170 1.105 0.800 1.00 0.00 N ATOM 1615 CA VAL A 103 -9.277 0.430 2.082 1.00 0.00 C ATOM 1616 C VAL A 103 -9.270 -1.084 1.858 1.00 0.00 C ATOM 1617 O VAL A 103 -8.342 -1.773 2.279 1.00 0.00 O ATOM 1618 CB VAL A 103 -10.521 0.918 2.828 1.00 0.00 C ATOM 1619 CG1 VAL A 103 -10.777 0.075 4.078 1.00 0.00 C ATOM 1620 CG2 VAL A 103 -10.400 2.402 3.182 1.00 0.00 C ATOM 0 H VAL A 103 -9.809 1.890 0.677 1.00 0.00 H new ATOM 0 HA VAL A 103 -8.421 0.670 2.713 1.00 0.00 H new ATOM 0 HB VAL A 103 -11.378 0.800 2.164 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -11.667 0.443 4.589 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -10.928 -0.965 3.790 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -9.919 0.146 4.747 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -11.297 2.724 3.711 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -9.528 2.554 3.819 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -10.289 2.986 2.268 1.00 0.00 H new ATOM 1630 N ASP A 104 -10.316 -1.557 1.196 1.00 0.00 N ATOM 1631 CA ASP A 104 -10.442 -2.976 0.911 1.00 0.00 C ATOM 1632 C ASP A 104 -9.071 -3.539 0.531 1.00 0.00 C ATOM 1633 O ASP A 104 -8.566 -4.449 1.186 1.00 0.00 O ATOM 1634 CB ASP A 104 -11.395 -3.220 -0.260 1.00 0.00 C ATOM 1635 CG ASP A 104 -11.874 -4.665 -0.414 1.00 0.00 C ATOM 1636 OD1 ASP A 104 -11.941 -5.354 0.627 1.00 0.00 O ATOM 1637 OD2 ASP A 104 -12.162 -5.048 -1.568 1.00 0.00 O ATOM 0 H ASP A 104 -11.084 -0.982 0.849 1.00 0.00 H new ATOM 0 HA ASP A 104 -10.834 -3.466 1.802 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -12.266 -2.575 -0.141 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -10.898 -2.918 -1.182 1.00 0.00 H new ATOM 1642 N ARG A 105 -8.508 -2.974 -0.527 1.00 0.00 N ATOM 1643 CA ARG A 105 -7.205 -3.408 -1.003 1.00 0.00 C ATOM 1644 C ARG A 105 -6.234 -3.556 0.170 1.00 0.00 C ATOM 1645 O ARG A 105 -5.849 -4.669 0.526 1.00 0.00 O ATOM 1646 CB ARG A 105 -6.628 -2.414 -2.012 1.00 0.00 C ATOM 1647 CG ARG A 105 -6.795 -2.926 -3.444 1.00 0.00 C ATOM 1648 CD ARG A 105 -8.156 -2.524 -4.015 1.00 0.00 C ATOM 1649 NE ARG A 105 -9.195 -3.477 -3.565 1.00 0.00 N ATOM 1650 CZ ARG A 105 -9.385 -4.690 -4.102 1.00 0.00 C ATOM 1651 NH1 ARG A 105 -8.606 -5.105 -5.111 1.00 0.00 N ATOM 1652 NH2 ARG A 105 -10.352 -5.488 -3.630 1.00 0.00 N ATOM 0 H ARG A 105 -8.930 -2.219 -1.068 1.00 0.00 H new ATOM 0 HA ARG A 105 -7.336 -4.372 -1.495 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -7.128 -1.451 -1.906 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -5.571 -2.249 -1.802 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -6.000 -2.525 -4.073 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -6.696 -4.011 -3.460 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -8.412 -1.515 -3.692 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -8.112 -2.508 -5.104 1.00 0.00 H new ATOM 0 HE ARG A 105 -9.805 -3.193 -2.798 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -7.869 -4.498 -5.470 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -8.750 -6.028 -5.520 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -10.944 -5.172 -2.862 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -10.496 -6.411 -4.039 1.00 0.00 H new ATOM 1666 N ILE A 106 -5.865 -2.417 0.739 1.00 0.00 N ATOM 1667 CA ILE A 106 -4.946 -2.406 1.864 1.00 0.00 C ATOM 1668 C ILE A 106 -5.405 -3.433 2.902 1.00 0.00 C ATOM 1669 O ILE A 106 -4.638 -4.314 3.288 1.00 0.00 O ATOM 1670 CB ILE A 106 -4.802 -0.989 2.424 1.00 0.00 C ATOM 1671 CG1 ILE A 106 -4.218 -0.042 1.374 1.00 0.00 C ATOM 1672 CG2 ILE A 106 -3.980 -0.991 3.714 1.00 0.00 C ATOM 1673 CD1 ILE A 106 -4.796 1.367 1.525 1.00 0.00 C ATOM 0 H ILE A 106 -6.186 -1.496 0.442 1.00 0.00 H new ATOM 0 HA ILE A 106 -3.947 -2.701 1.543 1.00 0.00 H new ATOM 0 HB ILE A 106 -5.796 -0.618 2.676 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -3.133 -0.007 1.474 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -4.434 -0.423 0.376 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -3.893 0.028 4.091 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -4.475 -1.613 4.460 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -2.986 -1.389 3.511 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -4.365 2.020 0.767 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -5.878 1.332 1.400 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -4.557 1.754 2.516 1.00 0.00 H new ATOM 1685 N GLN A 107 -6.652 -3.285 3.323 1.00 0.00 N ATOM 1686 CA GLN A 107 -7.221 -4.189 4.308 1.00 0.00 C ATOM 1687 C GLN A 107 -7.004 -5.643 3.882 1.00 0.00 C ATOM 1688 O GLN A 107 -6.839 -6.522 4.726 1.00 0.00 O ATOM 1689 CB GLN A 107 -8.708 -3.898 4.525 1.00 0.00 C ATOM 1690 CG GLN A 107 -8.948 -3.273 5.901 1.00 0.00 C ATOM 1691 CD GLN A 107 -9.492 -4.309 6.886 1.00 0.00 C ATOM 1692 OE1 GLN A 107 -9.459 -5.506 6.650 1.00 0.00 O ATOM 1693 NE2 GLN A 107 -9.992 -3.785 8.002 1.00 0.00 N ATOM 0 H GLN A 107 -7.284 -2.553 3.000 1.00 0.00 H new ATOM 0 HA GLN A 107 -6.710 -4.028 5.257 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -9.068 -3.224 3.748 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -9.280 -4.822 4.436 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -8.016 -2.857 6.283 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -9.653 -2.446 5.811 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -9.989 -2.774 8.137 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -10.378 -4.394 8.723 1.00 0.00 H new ATOM 1702 N SER A 108 -7.013 -5.850 2.574 1.00 0.00 N ATOM 1703 CA SER A 108 -6.819 -7.182 2.026 1.00 0.00 C ATOM 1704 C SER A 108 -5.414 -7.687 2.362 1.00 0.00 C ATOM 1705 O SER A 108 -5.115 -8.867 2.184 1.00 0.00 O ATOM 1706 CB SER A 108 -7.038 -7.193 0.512 1.00 0.00 C ATOM 1707 OG SER A 108 -7.324 -8.500 0.023 1.00 0.00 O ATOM 0 H SER A 108 -7.152 -5.118 1.877 1.00 0.00 H new ATOM 0 HA SER A 108 -7.555 -7.847 2.477 1.00 0.00 H new ATOM 0 HB2 SER A 108 -7.861 -6.524 0.260 1.00 0.00 H new ATOM 0 HB3 SER A 108 -6.149 -6.806 0.014 1.00 0.00 H new ATOM 0 HG SER A 108 -6.760 -9.153 0.487 1.00 0.00 H new ATOM 1713 N CYS A 109 -4.589 -6.768 2.842 1.00 0.00 N ATOM 1714 CA CYS A 109 -3.223 -7.105 3.205 1.00 0.00 C ATOM 1715 C CYS A 109 -2.824 -6.257 4.414 1.00 0.00 C ATOM 1716 O CYS A 109 -1.989 -5.361 4.300 1.00 0.00 O ATOM 1717 CB CYS A 109 -2.262 -6.912 2.030 1.00 0.00 C ATOM 1718 SG CYS A 109 -1.426 -8.492 1.639 1.00 0.00 S ATOM 0 H CYS A 109 -4.840 -5.790 2.988 1.00 0.00 H new ATOM 0 HA CYS A 109 -3.164 -8.161 3.468 1.00 0.00 H new ATOM 0 HB2 CYS A 109 -2.809 -6.555 1.157 1.00 0.00 H new ATOM 0 HB3 CYS A 109 -1.522 -6.151 2.276 1.00 0.00 H new ATOM 0 HG CYS A 109 -0.614 -8.317 0.639 1.00 0.00 H new