USER MOD reduce.3.24.130724 H: found=0, std=0, add=624, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 622 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 23 CYS SG : rot -179:sc= -0.901 USER MOD Set 1.2: A 26 CYS SG : rot 180:sc= -0.879 USER MOD Set 1.3: A 28 SER OG : rot 78:sc= 1.18 USER MOD Set 1.4: A 54 ASN : amide:sc= -3.69 K(o=-11,f=-18!) USER MOD Set 1.5: A 55 HIS : no HE2:sc= -5.7! C(o=-11!,f=-14!) USER MOD Set 1.6: A 58 CYS SG : rot -60:sc= -1.26 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 71:sc= 0.0436 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= -0.0989 USER MOD Single : A 21 SER OG : rot -132:sc= 0.125 USER MOD Single : A 22 SER OG : rot 180:sc=-0.000972 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 120:sc= -0.0363 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= -0.332 X(o=-0.33,f=-0.33) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= 0.673 K(o=0.67,f=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 157:sc= -0.219 (180deg=-0.802) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= -1.77! C(o=-1.8!,f=-6.3!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot 180:sc= -0.0336 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= 0.838 K(o=0.84,f=-0.83) USER MOD Single : A 84 GLN : amide:sc= -0.177 X(o=-0.18,f=-0.072) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ -159:sc= -0.0344 (180deg=-0.295) USER MOD Single : A 89 TYR OH : rot 9:sc= -0.118 USER MOD ----------------------------------------------------------------- ATOM 83 N LYS A 9 9.660 11.658 3.948 1.00 0.00 N ATOM 84 CA LYS A 9 9.725 10.608 2.938 1.00 0.00 C ATOM 85 C LYS A 9 8.633 10.793 1.889 1.00 0.00 C ATOM 86 O LYS A 9 7.488 11.123 2.202 1.00 0.00 O ATOM 87 CB LYS A 9 9.589 9.232 3.594 1.00 0.00 C ATOM 88 CG LYS A 9 10.907 8.662 4.089 1.00 0.00 C ATOM 89 CD LYS A 9 10.708 7.772 5.305 1.00 0.00 C ATOM 90 CE LYS A 9 11.975 7.004 5.647 1.00 0.00 C ATOM 91 NZ LYS A 9 13.055 7.905 6.136 1.00 0.00 N ATOM 0 HA LYS A 9 10.694 10.674 2.443 1.00 0.00 H new ATOM 0 HB2 LYS A 9 8.897 9.305 4.433 1.00 0.00 H new ATOM 0 HB3 LYS A 9 9.149 8.539 2.877 1.00 0.00 H new ATOM 0 HG2 LYS A 9 11.379 8.089 3.291 1.00 0.00 H new ATOM 0 HG3 LYS A 9 11.585 9.477 4.341 1.00 0.00 H new ATOM 0 HD2 LYS A 9 10.409 8.381 6.158 1.00 0.00 H new ATOM 0 HD3 LYS A 9 9.896 7.070 5.115 1.00 0.00 H new ATOM 0 HE2 LYS A 9 11.752 6.257 6.409 1.00 0.00 H new ATOM 0 HE3 LYS A 9 12.323 6.466 4.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 13.902 7.343 6.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 13.286 8.602 5.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 12.733 8.400 6.992 1.00 0.00 H new ATOM 105 N PRO A 10 8.992 10.576 0.615 1.00 0.00 N ATOM 106 CA PRO A 10 8.055 10.711 -0.505 1.00 0.00 C ATOM 107 C PRO A 10 6.998 9.612 -0.512 1.00 0.00 C ATOM 108 O PRO A 10 5.838 9.857 -0.844 1.00 0.00 O ATOM 109 CB PRO A 10 8.957 10.594 -1.736 1.00 0.00 C ATOM 110 CG PRO A 10 10.133 9.806 -1.272 1.00 0.00 C ATOM 111 CD PRO A 10 10.338 10.181 0.170 1.00 0.00 C ATOM 0 HA PRO A 10 7.494 11.644 -0.458 1.00 0.00 H new ATOM 0 HB2 PRO A 10 8.444 10.093 -2.556 1.00 0.00 H new ATOM 0 HB3 PRO A 10 9.258 11.576 -2.101 1.00 0.00 H new ATOM 0 HG2 PRO A 10 9.952 8.736 -1.375 1.00 0.00 H new ATOM 0 HG3 PRO A 10 11.017 10.038 -1.865 1.00 0.00 H new ATOM 0 HD2 PRO A 10 10.724 9.344 0.752 1.00 0.00 H new ATOM 0 HD3 PRO A 10 11.052 10.998 0.275 1.00 0.00 H new ATOM 119 N TRP A 11 7.405 8.403 -0.144 1.00 0.00 N ATOM 120 CA TRP A 11 6.492 7.267 -0.108 1.00 0.00 C ATOM 121 C TRP A 11 6.257 6.802 1.325 1.00 0.00 C ATOM 122 O TRP A 11 7.123 6.957 2.187 1.00 0.00 O ATOM 123 CB TRP A 11 7.045 6.114 -0.947 1.00 0.00 C ATOM 124 CG TRP A 11 6.992 6.374 -2.422 1.00 0.00 C ATOM 125 CD1 TRP A 11 7.973 6.930 -3.192 1.00 0.00 C ATOM 126 CD2 TRP A 11 5.899 6.091 -3.303 1.00 0.00 C ATOM 127 NE1 TRP A 11 7.556 7.009 -4.499 1.00 0.00 N ATOM 128 CE2 TRP A 11 6.288 6.500 -4.594 1.00 0.00 C ATOM 129 CE3 TRP A 11 4.632 5.529 -3.128 1.00 0.00 C ATOM 130 CZ2 TRP A 11 5.453 6.365 -5.700 1.00 0.00 C ATOM 131 CZ3 TRP A 11 3.804 5.397 -4.227 1.00 0.00 C ATOM 132 CH2 TRP A 11 4.218 5.812 -5.499 1.00 0.00 C ATOM 0 H TRP A 11 8.362 8.184 0.134 1.00 0.00 H new ATOM 0 HA TRP A 11 5.538 7.587 -0.527 1.00 0.00 H new ATOM 0 HB2 TRP A 11 8.078 5.925 -0.656 1.00 0.00 H new ATOM 0 HB3 TRP A 11 6.480 5.209 -0.724 1.00 0.00 H new ATOM 0 HD1 TRP A 11 8.935 7.259 -2.828 1.00 0.00 H new ATOM 0 HE1 TRP A 11 8.103 7.386 -5.273 1.00 0.00 H new ATOM 0 HE3 TRP A 11 4.305 5.203 -2.151 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 5.769 6.685 -6.682 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 2.821 4.967 -4.103 1.00 0.00 H new ATOM 0 HH2 TRP A 11 3.549 5.693 -6.338 1.00 0.00 H new ATOM 143 N ARG A 12 5.083 6.231 1.573 1.00 0.00 N ATOM 144 CA ARG A 12 4.736 5.745 2.903 1.00 0.00 C ATOM 145 C ARG A 12 4.224 4.309 2.840 1.00 0.00 C ATOM 146 O ARG A 12 3.683 3.876 1.823 1.00 0.00 O ATOM 147 CB ARG A 12 3.677 6.647 3.539 1.00 0.00 C ATOM 148 CG ARG A 12 2.270 6.390 3.027 1.00 0.00 C ATOM 149 CD ARG A 12 1.231 7.122 3.862 1.00 0.00 C ATOM 150 NE ARG A 12 1.706 8.431 4.302 1.00 0.00 N ATOM 151 CZ ARG A 12 2.349 8.632 5.446 1.00 0.00 C ATOM 152 NH1 ARG A 12 2.594 7.615 6.261 1.00 0.00 N ATOM 153 NH2 ARG A 12 2.751 9.853 5.777 1.00 0.00 N ATOM 0 H ARG A 12 4.356 6.094 0.871 1.00 0.00 H new ATOM 0 HA ARG A 12 5.637 5.766 3.516 1.00 0.00 H new ATOM 0 HB2 ARG A 12 3.693 6.505 4.620 1.00 0.00 H new ATOM 0 HB3 ARG A 12 3.938 7.688 3.351 1.00 0.00 H new ATOM 0 HG2 ARG A 12 2.195 6.711 1.988 1.00 0.00 H new ATOM 0 HG3 ARG A 12 2.065 5.320 3.045 1.00 0.00 H new ATOM 0 HD2 ARG A 12 0.318 7.245 3.279 1.00 0.00 H new ATOM 0 HD3 ARG A 12 0.974 6.518 4.732 1.00 0.00 H new ATOM 0 HE ARG A 12 1.534 9.234 3.698 1.00 0.00 H new ATOM 0 HH11 ARG A 12 2.288 6.675 6.010 1.00 0.00 H new ATOM 0 HH12 ARG A 12 3.088 7.773 7.139 1.00 0.00 H new ATOM 0 HH21 ARG A 12 2.566 10.638 5.152 1.00 0.00 H new ATOM 0 HH22 ARG A 12 3.245 10.006 6.656 1.00 0.00 H new ATOM 167 N ALA A 13 4.399 3.575 3.934 1.00 0.00 N ATOM 168 CA ALA A 13 3.954 2.188 4.003 1.00 0.00 C ATOM 169 C ALA A 13 3.184 1.923 5.293 1.00 0.00 C ATOM 170 O ALA A 13 3.677 2.196 6.387 1.00 0.00 O ATOM 171 CB ALA A 13 5.143 1.246 3.892 1.00 0.00 C ATOM 0 H ALA A 13 4.846 3.917 4.785 1.00 0.00 H new ATOM 0 HA ALA A 13 3.281 2.005 3.165 1.00 0.00 H new ATOM 0 HB1 ALA A 13 4.796 0.214 3.945 1.00 0.00 H new ATOM 0 HB2 ALA A 13 5.650 1.410 2.941 1.00 0.00 H new ATOM 0 HB3 ALA A 13 5.837 1.438 4.710 1.00 0.00 H new ATOM 177 N GLU A 14 1.974 1.390 5.156 1.00 0.00 N ATOM 178 CA GLU A 14 1.137 1.089 6.311 1.00 0.00 C ATOM 179 C GLU A 14 -0.126 0.344 5.889 1.00 0.00 C ATOM 180 O GLU A 14 -0.595 0.486 4.760 1.00 0.00 O ATOM 181 CB GLU A 14 0.760 2.378 7.045 1.00 0.00 C ATOM 182 CG GLU A 14 0.061 3.399 6.163 1.00 0.00 C ATOM 183 CD GLU A 14 0.109 4.800 6.740 1.00 0.00 C ATOM 184 OE1 GLU A 14 1.179 5.197 7.247 1.00 0.00 O ATOM 185 OE2 GLU A 14 -0.924 5.500 6.685 1.00 0.00 O ATOM 0 H GLU A 14 1.552 1.158 4.257 1.00 0.00 H new ATOM 0 HA GLU A 14 1.708 0.449 6.984 1.00 0.00 H new ATOM 0 HB2 GLU A 14 0.111 2.131 7.885 1.00 0.00 H new ATOM 0 HB3 GLU A 14 1.662 2.827 7.461 1.00 0.00 H new ATOM 0 HG2 GLU A 14 0.526 3.400 5.177 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -0.979 3.103 6.025 1.00 0.00 H new ATOM 192 N TYR A 15 -0.670 -0.451 6.804 1.00 0.00 N ATOM 193 CA TYR A 15 -1.876 -1.221 6.526 1.00 0.00 C ATOM 194 C TYR A 15 -3.126 -0.371 6.735 1.00 0.00 C ATOM 195 O TYR A 15 -3.278 0.287 7.764 1.00 0.00 O ATOM 196 CB TYR A 15 -1.933 -2.460 7.422 1.00 0.00 C ATOM 197 CG TYR A 15 -1.021 -3.577 6.969 1.00 0.00 C ATOM 198 CD1 TYR A 15 -1.402 -4.439 5.948 1.00 0.00 C ATOM 199 CD2 TYR A 15 0.220 -3.772 7.562 1.00 0.00 C ATOM 200 CE1 TYR A 15 -0.573 -5.463 5.530 1.00 0.00 C ATOM 201 CE2 TYR A 15 1.056 -4.792 7.150 1.00 0.00 C ATOM 202 CZ TYR A 15 0.655 -5.634 6.134 1.00 0.00 C ATOM 203 OH TYR A 15 1.485 -6.652 5.722 1.00 0.00 O ATOM 0 H TYR A 15 -0.295 -0.579 7.744 1.00 0.00 H new ATOM 0 HA TYR A 15 -1.843 -1.536 5.483 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -1.666 -2.175 8.440 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -2.958 -2.829 7.453 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -2.363 -4.307 5.473 1.00 0.00 H new ATOM 0 HD2 TYR A 15 0.537 -3.115 8.359 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -0.885 -6.125 4.736 1.00 0.00 H new ATOM 0 HE2 TYR A 15 2.018 -4.929 7.621 1.00 0.00 H new ATOM 0 HH TYR A 15 1.837 -6.446 4.831 1.00 0.00 H new ATOM 213 N ALA A 16 -4.018 -0.391 5.750 1.00 0.00 N ATOM 214 CA ALA A 16 -5.256 0.375 5.826 1.00 0.00 C ATOM 215 C ALA A 16 -6.085 -0.040 7.036 1.00 0.00 C ATOM 216 O ALA A 16 -5.933 -1.145 7.557 1.00 0.00 O ATOM 217 CB ALA A 16 -6.062 0.203 4.547 1.00 0.00 C ATOM 0 H ALA A 16 -3.907 -0.929 4.891 1.00 0.00 H new ATOM 0 HA ALA A 16 -4.997 1.428 5.940 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -6.984 0.780 4.617 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -5.477 0.556 3.698 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -6.304 -0.851 4.408 1.00 0.00 H new ATOM 223 N LYS A 17 -6.963 0.854 7.481 1.00 0.00 N ATOM 224 CA LYS A 17 -7.818 0.581 8.630 1.00 0.00 C ATOM 225 C LYS A 17 -9.291 0.671 8.246 1.00 0.00 C ATOM 226 O LYS A 17 -10.166 0.237 8.995 1.00 0.00 O ATOM 227 CB LYS A 17 -7.514 1.565 9.762 1.00 0.00 C ATOM 228 CG LYS A 17 -6.051 1.590 10.170 1.00 0.00 C ATOM 229 CD LYS A 17 -5.654 2.942 10.740 1.00 0.00 C ATOM 230 CE LYS A 17 -6.318 3.197 12.084 1.00 0.00 C ATOM 231 NZ LYS A 17 -5.762 4.403 12.758 1.00 0.00 N ATOM 0 H LYS A 17 -7.101 1.774 7.063 1.00 0.00 H new ATOM 0 HA LYS A 17 -7.612 -0.433 8.972 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -7.813 2.566 9.452 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -8.120 1.306 10.630 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -5.866 0.813 10.912 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -5.427 1.361 9.306 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -4.571 2.986 10.854 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -5.933 3.729 10.040 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -7.391 3.324 11.941 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -6.183 2.327 12.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -6.241 4.542 13.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -4.743 4.272 12.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -5.914 5.238 12.157 1.00 0.00 H new ATOM 245 N SER A 18 -9.559 1.236 7.073 1.00 0.00 N ATOM 246 CA SER A 18 -10.927 1.385 6.590 1.00 0.00 C ATOM 247 C SER A 18 -10.992 1.205 5.077 1.00 0.00 C ATOM 248 O SER A 18 -10.082 1.609 4.353 1.00 0.00 O ATOM 249 CB SER A 18 -11.480 2.758 6.976 1.00 0.00 C ATOM 250 OG SER A 18 -10.616 3.795 6.544 1.00 0.00 O ATOM 0 H SER A 18 -8.847 1.598 6.439 1.00 0.00 H new ATOM 0 HA SER A 18 -11.537 0.611 7.057 1.00 0.00 H new ATOM 0 HB2 SER A 18 -12.467 2.894 6.533 1.00 0.00 H new ATOM 0 HB3 SER A 18 -11.606 2.812 8.057 1.00 0.00 H new ATOM 0 HG SER A 18 -10.992 4.663 6.801 1.00 0.00 H new ATOM 256 N SER A 19 -12.074 0.594 4.606 1.00 0.00 N ATOM 257 CA SER A 19 -12.258 0.356 3.179 1.00 0.00 C ATOM 258 C SER A 19 -12.931 1.551 2.511 1.00 0.00 C ATOM 259 O SER A 19 -13.748 1.390 1.604 1.00 0.00 O ATOM 260 CB SER A 19 -13.093 -0.906 2.954 1.00 0.00 C ATOM 261 OG SER A 19 -12.675 -1.954 3.811 1.00 0.00 O ATOM 0 H SER A 19 -12.837 0.255 5.192 1.00 0.00 H new ATOM 0 HA SER A 19 -11.275 0.217 2.729 1.00 0.00 H new ATOM 0 HB2 SER A 19 -14.146 -0.686 3.131 1.00 0.00 H new ATOM 0 HB3 SER A 19 -13.004 -1.224 1.915 1.00 0.00 H new ATOM 0 HG SER A 19 -13.225 -2.748 3.649 1.00 0.00 H new ATOM 267 N ARG A 20 -12.582 2.750 2.966 1.00 0.00 N ATOM 268 CA ARG A 20 -13.153 3.973 2.415 1.00 0.00 C ATOM 269 C ARG A 20 -12.282 4.519 1.287 1.00 0.00 C ATOM 270 O ARG A 20 -12.786 5.089 0.320 1.00 0.00 O ATOM 271 CB ARG A 20 -13.308 5.028 3.511 1.00 0.00 C ATOM 272 CG ARG A 20 -14.412 4.714 4.508 1.00 0.00 C ATOM 273 CD ARG A 20 -15.786 4.806 3.864 1.00 0.00 C ATOM 274 NE ARG A 20 -16.856 4.510 4.813 1.00 0.00 N ATOM 275 CZ ARG A 20 -18.103 4.228 4.450 1.00 0.00 C ATOM 276 NH1 ARG A 20 -18.434 4.204 3.167 1.00 0.00 N ATOM 277 NH2 ARG A 20 -19.021 3.968 5.373 1.00 0.00 N ATOM 0 H ARG A 20 -11.906 2.900 3.715 1.00 0.00 H new ATOM 0 HA ARG A 20 -14.136 3.735 2.009 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -12.363 5.125 4.046 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -13.512 5.993 3.048 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -14.265 3.713 4.912 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -14.355 5.408 5.347 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -15.929 5.807 3.457 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -15.841 4.110 3.027 1.00 0.00 H new ATOM 0 HE ARG A 20 -16.634 4.520 5.809 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -17.731 4.402 2.455 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -19.392 3.987 2.891 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -18.769 3.985 6.361 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -19.978 3.752 5.094 1.00 0.00 H new ATOM 291 N SER A 21 -10.971 4.341 1.420 1.00 0.00 N ATOM 292 CA SER A 21 -10.030 4.819 0.415 1.00 0.00 C ATOM 293 C SER A 21 -10.118 3.980 -0.856 1.00 0.00 C ATOM 294 O SER A 21 -10.596 2.846 -0.832 1.00 0.00 O ATOM 295 CB SER A 21 -8.602 4.784 0.965 1.00 0.00 C ATOM 296 OG SER A 21 -8.350 5.901 1.799 1.00 0.00 O ATOM 0 H SER A 21 -10.537 3.869 2.214 1.00 0.00 H new ATOM 0 HA SER A 21 -10.292 5.848 0.169 1.00 0.00 H new ATOM 0 HB2 SER A 21 -8.448 3.864 1.528 1.00 0.00 H new ATOM 0 HB3 SER A 21 -7.891 4.775 0.139 1.00 0.00 H new ATOM 0 HG SER A 21 -7.496 6.311 1.547 1.00 0.00 H new ATOM 302 N SER A 22 -9.653 4.546 -1.965 1.00 0.00 N ATOM 303 CA SER A 22 -9.682 3.852 -3.248 1.00 0.00 C ATOM 304 C SER A 22 -8.422 4.148 -4.054 1.00 0.00 C ATOM 305 O SER A 22 -8.015 5.302 -4.191 1.00 0.00 O ATOM 306 CB SER A 22 -10.921 4.263 -4.046 1.00 0.00 C ATOM 307 OG SER A 22 -12.070 4.306 -3.218 1.00 0.00 O ATOM 0 H SER A 22 -9.252 5.483 -2.001 1.00 0.00 H new ATOM 0 HA SER A 22 -9.724 2.780 -3.053 1.00 0.00 H new ATOM 0 HB2 SER A 22 -10.758 5.241 -4.498 1.00 0.00 H new ATOM 0 HB3 SER A 22 -11.083 3.558 -4.861 1.00 0.00 H new ATOM 0 HG SER A 22 -12.848 4.573 -3.751 1.00 0.00 H new ATOM 313 N CYS A 23 -7.807 3.097 -4.587 1.00 0.00 N ATOM 314 CA CYS A 23 -6.593 3.242 -5.381 1.00 0.00 C ATOM 315 C CYS A 23 -6.813 4.209 -6.540 1.00 0.00 C ATOM 316 O CYS A 23 -7.947 4.460 -6.948 1.00 0.00 O ATOM 317 CB CYS A 23 -6.143 1.881 -5.915 1.00 0.00 C ATOM 318 SG CYS A 23 -4.594 1.933 -6.873 1.00 0.00 S ATOM 0 H CYS A 23 -8.130 2.135 -4.483 1.00 0.00 H new ATOM 0 HA CYS A 23 -5.813 3.648 -4.737 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -6.016 1.197 -5.076 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -6.933 1.470 -6.544 1.00 0.00 H new ATOM 0 HG CYS A 23 -4.305 0.738 -7.297 1.00 0.00 H new ATOM 323 N LYS A 24 -5.719 4.749 -7.068 1.00 0.00 N ATOM 324 CA LYS A 24 -5.790 5.687 -8.182 1.00 0.00 C ATOM 325 C LYS A 24 -5.241 5.058 -9.459 1.00 0.00 C ATOM 326 O LYS A 24 -5.688 5.376 -10.562 1.00 0.00 O ATOM 327 CB LYS A 24 -5.010 6.961 -7.853 1.00 0.00 C ATOM 328 CG LYS A 24 -5.543 7.705 -6.640 1.00 0.00 C ATOM 329 CD LYS A 24 -6.608 8.716 -7.029 1.00 0.00 C ATOM 330 CE LYS A 24 -7.094 9.505 -5.823 1.00 0.00 C ATOM 331 NZ LYS A 24 -8.253 8.846 -5.159 1.00 0.00 N ATOM 0 H LYS A 24 -4.773 4.553 -6.742 1.00 0.00 H new ATOM 0 HA LYS A 24 -6.838 5.941 -8.344 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -3.965 6.703 -7.680 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -5.035 7.626 -8.716 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -5.960 6.992 -5.929 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -4.722 8.215 -6.136 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -6.206 9.401 -7.775 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -7.450 8.200 -7.491 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -6.279 9.613 -5.107 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -7.378 10.509 -6.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -8.554 9.415 -4.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -9.040 8.765 -5.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -7.975 7.897 -4.837 1.00 0.00 H new ATOM 345 N THR A 25 -4.271 4.163 -9.303 1.00 0.00 N ATOM 346 CA THR A 25 -3.662 3.490 -10.443 1.00 0.00 C ATOM 347 C THR A 25 -4.649 2.541 -11.113 1.00 0.00 C ATOM 348 O THR A 25 -4.655 2.397 -12.336 1.00 0.00 O ATOM 349 CB THR A 25 -2.410 2.697 -10.024 1.00 0.00 C ATOM 350 OG1 THR A 25 -1.330 3.596 -9.748 1.00 0.00 O ATOM 351 CG2 THR A 25 -1.997 1.720 -11.115 1.00 0.00 C ATOM 0 H THR A 25 -3.890 3.887 -8.398 1.00 0.00 H new ATOM 0 HA THR A 25 -3.372 4.267 -11.150 1.00 0.00 H new ATOM 0 HB THR A 25 -2.650 2.131 -9.124 1.00 0.00 H new ATOM 0 HG1 THR A 25 -1.042 3.485 -8.818 1.00 0.00 H new ATOM 0 HG21 THR A 25 -1.111 1.172 -10.796 1.00 0.00 H new ATOM 0 HG22 THR A 25 -2.810 1.018 -11.302 1.00 0.00 H new ATOM 0 HG23 THR A 25 -1.774 2.269 -12.030 1.00 0.00 H new ATOM 359 N CYS A 26 -5.484 1.896 -10.305 1.00 0.00 N ATOM 360 CA CYS A 26 -6.477 0.961 -10.819 1.00 0.00 C ATOM 361 C CYS A 26 -7.889 1.508 -10.629 1.00 0.00 C ATOM 362 O CYS A 26 -8.837 1.044 -11.263 1.00 0.00 O ATOM 363 CB CYS A 26 -6.344 -0.393 -10.119 1.00 0.00 C ATOM 364 SG CYS A 26 -6.946 -0.403 -8.400 1.00 0.00 S ATOM 0 H CYS A 26 -5.492 2.004 -9.291 1.00 0.00 H new ATOM 0 HA CYS A 26 -6.298 0.830 -11.886 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -6.894 -1.141 -10.690 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -5.296 -0.693 -10.128 1.00 0.00 H new ATOM 0 HG CYS A 26 -6.793 -1.591 -7.894 1.00 0.00 H new ATOM 369 N LYS A 27 -8.021 2.496 -9.752 1.00 0.00 N ATOM 370 CA LYS A 27 -9.316 3.109 -9.477 1.00 0.00 C ATOM 371 C LYS A 27 -10.241 2.129 -8.763 1.00 0.00 C ATOM 372 O LYS A 27 -11.411 1.992 -9.120 1.00 0.00 O ATOM 373 CB LYS A 27 -9.965 3.582 -10.780 1.00 0.00 C ATOM 374 CG LYS A 27 -9.052 4.440 -11.638 1.00 0.00 C ATOM 375 CD LYS A 27 -8.213 3.593 -12.579 1.00 0.00 C ATOM 376 CE LYS A 27 -7.815 4.371 -13.824 1.00 0.00 C ATOM 377 NZ LYS A 27 -8.915 4.416 -14.826 1.00 0.00 N ATOM 0 H LYS A 27 -7.247 2.891 -9.218 1.00 0.00 H new ATOM 0 HA LYS A 27 -9.153 3.968 -8.826 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -10.279 2.712 -11.356 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -10.865 4.149 -10.543 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -9.650 5.144 -12.216 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -8.397 5.030 -10.997 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -7.317 3.250 -12.061 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -8.774 2.704 -12.868 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -7.537 5.387 -13.544 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -6.934 3.912 -14.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -8.604 4.955 -15.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -9.163 3.448 -15.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -9.748 4.877 -14.407 1.00 0.00 H new ATOM 391 N SER A 28 -9.709 1.451 -7.750 1.00 0.00 N ATOM 392 CA SER A 28 -10.487 0.482 -6.987 1.00 0.00 C ATOM 393 C SER A 28 -10.454 0.812 -5.497 1.00 0.00 C ATOM 394 O SER A 28 -9.811 1.774 -5.077 1.00 0.00 O ATOM 395 CB SER A 28 -9.950 -0.931 -7.220 1.00 0.00 C ATOM 396 OG SER A 28 -9.702 -1.162 -8.596 1.00 0.00 O ATOM 0 H SER A 28 -8.743 1.555 -7.439 1.00 0.00 H new ATOM 0 HA SER A 28 -11.521 0.531 -7.330 1.00 0.00 H new ATOM 0 HB2 SER A 28 -9.030 -1.072 -6.653 1.00 0.00 H new ATOM 0 HB3 SER A 28 -10.668 -1.662 -6.849 1.00 0.00 H new ATOM 0 HG SER A 28 -8.862 -0.728 -8.854 1.00 0.00 H new ATOM 402 N VAL A 29 -11.152 0.006 -4.704 1.00 0.00 N ATOM 403 CA VAL A 29 -11.202 0.210 -3.261 1.00 0.00 C ATOM 404 C VAL A 29 -10.106 -0.579 -2.555 1.00 0.00 C ATOM 405 O VAL A 29 -9.799 -1.710 -2.934 1.00 0.00 O ATOM 406 CB VAL A 29 -12.569 -0.203 -2.683 1.00 0.00 C ATOM 407 CG1 VAL A 29 -12.417 -0.703 -1.255 1.00 0.00 C ATOM 408 CG2 VAL A 29 -13.548 0.960 -2.748 1.00 0.00 C ATOM 0 H VAL A 29 -11.691 -0.794 -5.036 1.00 0.00 H new ATOM 0 HA VAL A 29 -11.048 1.275 -3.087 1.00 0.00 H new ATOM 0 HB VAL A 29 -12.967 -1.018 -3.287 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -13.393 -0.990 -0.864 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -11.752 -1.567 -1.241 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -11.996 0.089 -0.635 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -14.508 0.651 -2.336 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -13.157 1.797 -2.169 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -13.680 1.267 -3.786 1.00 0.00 H new ATOM 418 N ILE A 30 -9.518 0.024 -1.527 1.00 0.00 N ATOM 419 CA ILE A 30 -8.456 -0.624 -0.768 1.00 0.00 C ATOM 420 C ILE A 30 -8.959 -1.087 0.596 1.00 0.00 C ATOM 421 O ILE A 30 -8.882 -0.352 1.579 1.00 0.00 O ATOM 422 CB ILE A 30 -7.254 0.317 -0.566 1.00 0.00 C ATOM 423 CG1 ILE A 30 -6.656 0.713 -1.918 1.00 0.00 C ATOM 424 CG2 ILE A 30 -6.202 -0.348 0.309 1.00 0.00 C ATOM 425 CD1 ILE A 30 -5.830 1.979 -1.866 1.00 0.00 C ATOM 0 H ILE A 30 -9.759 0.960 -1.201 1.00 0.00 H new ATOM 0 HA ILE A 30 -8.136 -1.490 -1.348 1.00 0.00 H new ATOM 0 HB ILE A 30 -7.599 1.220 -0.063 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -6.033 -0.103 -2.283 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -7.463 0.845 -2.639 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -5.359 0.330 0.443 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -6.634 -0.585 1.281 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -5.858 -1.265 -0.169 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -5.438 2.199 -2.859 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -6.454 2.807 -1.531 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -5.002 1.845 -1.170 1.00 0.00 H new ATOM 437 N ASN A 31 -9.473 -2.311 0.646 1.00 0.00 N ATOM 438 CA ASN A 31 -9.988 -2.874 1.889 1.00 0.00 C ATOM 439 C ASN A 31 -8.930 -2.823 2.988 1.00 0.00 C ATOM 440 O ASN A 31 -7.782 -3.215 2.779 1.00 0.00 O ATOM 441 CB ASN A 31 -10.443 -4.318 1.670 1.00 0.00 C ATOM 442 CG ASN A 31 -11.179 -4.499 0.357 1.00 0.00 C ATOM 443 OD1 ASN A 31 -10.736 -5.244 -0.518 1.00 0.00 O ATOM 444 ND2 ASN A 31 -12.309 -3.817 0.213 1.00 0.00 N ATOM 0 H ASN A 31 -9.544 -2.932 -0.160 1.00 0.00 H new ATOM 0 HA ASN A 31 -10.843 -2.275 2.203 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -9.575 -4.977 1.691 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -11.092 -4.620 2.492 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -12.848 -3.899 -0.649 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -12.638 -3.211 0.965 1.00 0.00 H new ATOM 451 N LYS A 32 -9.326 -2.338 4.160 1.00 0.00 N ATOM 452 CA LYS A 32 -8.415 -2.237 5.294 1.00 0.00 C ATOM 453 C LYS A 32 -7.703 -3.563 5.540 1.00 0.00 C ATOM 454 O LYS A 32 -8.131 -4.608 5.049 1.00 0.00 O ATOM 455 CB LYS A 32 -9.178 -1.815 6.552 1.00 0.00 C ATOM 456 CG LYS A 32 -9.879 -2.966 7.252 1.00 0.00 C ATOM 457 CD LYS A 32 -11.215 -2.533 7.833 1.00 0.00 C ATOM 458 CE LYS A 32 -11.553 -3.312 9.095 1.00 0.00 C ATOM 459 NZ LYS A 32 -11.923 -4.723 8.794 1.00 0.00 N ATOM 0 H LYS A 32 -10.273 -2.008 4.349 1.00 0.00 H new ATOM 0 HA LYS A 32 -7.666 -1.481 5.060 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -8.483 -1.346 7.248 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -9.917 -1.060 6.283 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -10.035 -3.782 6.546 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -9.242 -3.351 8.048 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -11.186 -1.467 8.059 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -12.000 -2.681 7.092 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -10.698 -3.297 9.771 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -12.378 -2.823 9.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -12.146 -5.220 9.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -12.755 -4.738 8.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -11.127 -5.198 8.322 1.00 0.00 H new ATOM 473 N GLU A 33 -6.615 -3.514 6.303 1.00 0.00 N ATOM 474 CA GLU A 33 -5.845 -4.713 6.613 1.00 0.00 C ATOM 475 C GLU A 33 -5.044 -5.174 5.399 1.00 0.00 C ATOM 476 O GLU A 33 -4.708 -6.351 5.275 1.00 0.00 O ATOM 477 CB GLU A 33 -6.774 -5.835 7.082 1.00 0.00 C ATOM 478 CG GLU A 33 -7.898 -5.357 7.985 1.00 0.00 C ATOM 479 CD GLU A 33 -8.304 -6.397 9.012 1.00 0.00 C ATOM 480 OE1 GLU A 33 -8.565 -7.552 8.616 1.00 0.00 O ATOM 481 OE2 GLU A 33 -8.359 -6.055 10.212 1.00 0.00 O ATOM 0 H GLU A 33 -6.247 -2.658 6.717 1.00 0.00 H new ATOM 0 HA GLU A 33 -5.148 -4.469 7.415 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -7.204 -6.327 6.210 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -6.186 -6.584 7.613 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -7.585 -4.448 8.498 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -8.763 -5.097 7.375 1.00 0.00 H new ATOM 488 N ASN A 34 -4.743 -4.238 4.505 1.00 0.00 N ATOM 489 CA ASN A 34 -3.983 -4.548 3.300 1.00 0.00 C ATOM 490 C ASN A 34 -2.799 -3.598 3.144 1.00 0.00 C ATOM 491 O ASN A 34 -2.870 -2.432 3.531 1.00 0.00 O ATOM 492 CB ASN A 34 -4.885 -4.462 2.067 1.00 0.00 C ATOM 493 CG ASN A 34 -5.541 -5.789 1.737 1.00 0.00 C ATOM 494 OD1 ASN A 34 -4.876 -6.736 1.316 1.00 0.00 O ATOM 495 ND2 ASN A 34 -6.853 -5.863 1.928 1.00 0.00 N ATOM 0 H ASN A 34 -5.014 -3.259 4.592 1.00 0.00 H new ATOM 0 HA ASN A 34 -3.601 -5.565 3.393 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -5.656 -3.711 2.236 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -4.297 -4.128 1.212 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -7.350 -6.730 1.724 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -7.364 -5.053 2.279 1.00 0.00 H new ATOM 502 N PHE A 35 -1.711 -4.107 2.576 1.00 0.00 N ATOM 503 CA PHE A 35 -0.510 -3.305 2.369 1.00 0.00 C ATOM 504 C PHE A 35 -0.671 -2.387 1.161 1.00 0.00 C ATOM 505 O PHE A 35 -0.761 -2.850 0.024 1.00 0.00 O ATOM 506 CB PHE A 35 0.707 -4.211 2.177 1.00 0.00 C ATOM 507 CG PHE A 35 1.872 -3.521 1.526 1.00 0.00 C ATOM 508 CD1 PHE A 35 2.131 -2.184 1.779 1.00 0.00 C ATOM 509 CD2 PHE A 35 2.706 -4.209 0.659 1.00 0.00 C ATOM 510 CE1 PHE A 35 3.202 -1.546 1.182 1.00 0.00 C ATOM 511 CE2 PHE A 35 3.778 -3.576 0.059 1.00 0.00 C ATOM 512 CZ PHE A 35 4.026 -2.243 0.320 1.00 0.00 C ATOM 0 H PHE A 35 -1.636 -5.071 2.251 1.00 0.00 H new ATOM 0 HA PHE A 35 -0.358 -2.688 3.254 1.00 0.00 H new ATOM 0 HB2 PHE A 35 1.020 -4.597 3.147 1.00 0.00 H new ATOM 0 HB3 PHE A 35 0.419 -5.070 1.571 1.00 0.00 H new ATOM 0 HD1 PHE A 35 1.489 -1.634 2.451 1.00 0.00 H new ATOM 0 HD2 PHE A 35 2.516 -5.251 0.450 1.00 0.00 H new ATOM 0 HE1 PHE A 35 3.394 -0.504 1.389 1.00 0.00 H new ATOM 0 HE2 PHE A 35 4.421 -4.124 -0.614 1.00 0.00 H new ATOM 0 HZ PHE A 35 4.863 -1.746 -0.149 1.00 0.00 H new ATOM 522 N ARG A 36 -0.707 -1.083 1.417 1.00 0.00 N ATOM 523 CA ARG A 36 -0.859 -0.100 0.351 1.00 0.00 C ATOM 524 C ARG A 36 0.331 0.855 0.319 1.00 0.00 C ATOM 525 O ARG A 36 1.247 0.750 1.136 1.00 0.00 O ATOM 526 CB ARG A 36 -2.155 0.691 0.539 1.00 0.00 C ATOM 527 CG ARG A 36 -2.268 1.362 1.897 1.00 0.00 C ATOM 528 CD ARG A 36 -3.469 2.293 1.961 1.00 0.00 C ATOM 529 NE ARG A 36 -3.512 3.047 3.211 1.00 0.00 N ATOM 530 CZ ARG A 36 -4.602 3.654 3.666 1.00 0.00 C ATOM 531 NH1 ARG A 36 -5.734 3.595 2.977 1.00 0.00 N ATOM 532 NH2 ARG A 36 -4.562 4.321 4.812 1.00 0.00 N ATOM 0 H ARG A 36 -0.633 -0.683 2.352 1.00 0.00 H new ATOM 0 HA ARG A 36 -0.901 -0.634 -0.598 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -2.223 1.451 -0.239 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -3.003 0.020 0.403 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -2.354 0.602 2.673 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -1.358 1.926 2.102 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -3.435 2.986 1.121 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -4.385 1.711 1.857 1.00 0.00 H new ATOM 0 HE ARG A 36 -2.658 3.111 3.765 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -5.769 3.083 2.096 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -6.570 4.062 3.329 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -3.693 4.368 5.345 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -5.400 4.787 5.160 1.00 0.00 H new ATOM 546 N LEU A 37 0.312 1.785 -0.629 1.00 0.00 N ATOM 547 CA LEU A 37 1.389 2.758 -0.769 1.00 0.00 C ATOM 548 C LEU A 37 0.832 4.152 -1.040 1.00 0.00 C ATOM 549 O LEU A 37 -0.044 4.328 -1.886 1.00 0.00 O ATOM 550 CB LEU A 37 2.333 2.345 -1.899 1.00 0.00 C ATOM 551 CG LEU A 37 3.287 1.191 -1.590 1.00 0.00 C ATOM 552 CD1 LEU A 37 4.065 0.793 -2.834 1.00 0.00 C ATOM 553 CD2 LEU A 37 4.236 1.571 -0.463 1.00 0.00 C ATOM 0 H LEU A 37 -0.438 1.886 -1.313 1.00 0.00 H new ATOM 0 HA LEU A 37 1.945 2.785 0.168 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.731 2.070 -2.765 1.00 0.00 H new ATOM 0 HB3 LEU A 37 2.926 3.213 -2.185 1.00 0.00 H new ATOM 0 HG LEU A 37 2.697 0.334 -1.267 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.739 -0.030 -2.594 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.370 0.478 -3.612 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.645 1.645 -3.189 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.908 0.738 -0.256 1.00 0.00 H new ATOM 0 HD22 LEU A 37 4.820 2.443 -0.757 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.661 1.805 0.433 1.00 0.00 H new ATOM 565 N GLY A 38 1.349 5.142 -0.317 1.00 0.00 N ATOM 566 CA GLY A 38 0.892 6.507 -0.495 1.00 0.00 C ATOM 567 C GLY A 38 1.995 7.429 -0.977 1.00 0.00 C ATOM 568 O GLY A 38 2.963 7.680 -0.258 1.00 0.00 O ATOM 0 H GLY A 38 2.076 5.022 0.388 1.00 0.00 H new ATOM 0 HA2 GLY A 38 0.071 6.522 -1.212 1.00 0.00 H new ATOM 0 HA3 GLY A 38 0.497 6.881 0.450 1.00 0.00 H new ATOM 572 N LYS A 39 1.851 7.934 -2.197 1.00 0.00 N ATOM 573 CA LYS A 39 2.843 8.833 -2.776 1.00 0.00 C ATOM 574 C LYS A 39 2.613 10.268 -2.312 1.00 0.00 C ATOM 575 O LYS A 39 1.756 10.974 -2.846 1.00 0.00 O ATOM 576 CB LYS A 39 2.793 8.765 -4.304 1.00 0.00 C ATOM 577 CG LYS A 39 3.898 9.556 -4.984 1.00 0.00 C ATOM 578 CD LYS A 39 4.092 9.116 -6.425 1.00 0.00 C ATOM 579 CE LYS A 39 5.459 9.523 -6.953 1.00 0.00 C ATOM 580 NZ LYS A 39 5.433 10.878 -7.572 1.00 0.00 N ATOM 0 H LYS A 39 1.056 7.736 -2.805 1.00 0.00 H new ATOM 0 HA LYS A 39 3.828 8.514 -2.437 1.00 0.00 H new ATOM 0 HB2 LYS A 39 2.859 7.723 -4.615 1.00 0.00 H new ATOM 0 HB3 LYS A 39 1.827 9.139 -4.645 1.00 0.00 H new ATOM 0 HG2 LYS A 39 3.656 10.618 -4.956 1.00 0.00 H new ATOM 0 HG3 LYS A 39 4.830 9.427 -4.434 1.00 0.00 H new ATOM 0 HD2 LYS A 39 3.982 8.034 -6.494 1.00 0.00 H new ATOM 0 HD3 LYS A 39 3.314 9.556 -7.049 1.00 0.00 H new ATOM 0 HE2 LYS A 39 6.182 9.510 -6.137 1.00 0.00 H new ATOM 0 HE3 LYS A 39 5.796 8.794 -7.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 6.383 11.119 -7.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 4.762 10.884 -8.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 5.136 11.578 -6.863 1.00 0.00 H new ATOM 594 N LEU A 40 3.383 10.694 -1.317 1.00 0.00 N ATOM 595 CA LEU A 40 3.264 12.046 -0.783 1.00 0.00 C ATOM 596 C LEU A 40 3.822 13.071 -1.765 1.00 0.00 C ATOM 597 O LEU A 40 5.018 13.083 -2.054 1.00 0.00 O ATOM 598 CB LEU A 40 3.997 12.153 0.555 1.00 0.00 C ATOM 599 CG LEU A 40 3.735 11.028 1.556 1.00 0.00 C ATOM 600 CD1 LEU A 40 4.626 11.183 2.779 1.00 0.00 C ATOM 601 CD2 LEU A 40 2.269 11.005 1.962 1.00 0.00 C ATOM 0 H LEU A 40 4.096 10.123 -0.864 1.00 0.00 H new ATOM 0 HA LEU A 40 2.206 12.257 -0.629 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.068 12.194 0.357 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.723 13.099 1.022 1.00 0.00 H new ATOM 0 HG LEU A 40 3.973 10.079 1.076 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.425 10.373 3.480 1.00 0.00 H new ATOM 0 HD12 LEU A 40 5.672 11.148 2.474 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.420 12.139 3.260 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.102 10.198 2.675 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.004 11.957 2.423 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.650 10.844 1.080 1.00 0.00 H new ATOM 613 N VAL A 41 2.947 13.932 -2.275 1.00 0.00 N ATOM 614 CA VAL A 41 3.352 14.964 -3.222 1.00 0.00 C ATOM 615 C VAL A 41 2.970 16.352 -2.720 1.00 0.00 C ATOM 616 O VAL A 41 1.912 16.535 -2.120 1.00 0.00 O ATOM 617 CB VAL A 41 2.715 14.737 -4.606 1.00 0.00 C ATOM 618 CG1 VAL A 41 3.190 13.421 -5.204 1.00 0.00 C ATOM 619 CG2 VAL A 41 1.197 14.768 -4.505 1.00 0.00 C ATOM 0 H VAL A 41 1.953 13.935 -2.048 1.00 0.00 H new ATOM 0 HA VAL A 41 4.436 14.900 -3.314 1.00 0.00 H new ATOM 0 HB VAL A 41 3.030 15.544 -5.268 1.00 0.00 H new ATOM 0 HG11 VAL A 41 2.729 13.278 -6.181 1.00 0.00 H new ATOM 0 HG12 VAL A 41 4.274 13.441 -5.313 1.00 0.00 H new ATOM 0 HG13 VAL A 41 2.907 12.599 -4.546 1.00 0.00 H new ATOM 0 HG21 VAL A 41 0.763 14.606 -5.492 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.861 13.983 -3.828 1.00 0.00 H new ATOM 0 HG23 VAL A 41 0.877 15.738 -4.123 1.00 0.00 H new ATOM 777 N MET A 52 -1.349 10.019 -2.262 1.00 0.00 N ATOM 778 CA MET A 52 -1.939 9.208 -3.321 1.00 0.00 C ATOM 779 C MET A 52 -1.979 7.737 -2.921 1.00 0.00 C ATOM 780 O MET A 52 -0.993 7.016 -3.075 1.00 0.00 O ATOM 781 CB MET A 52 -1.150 9.375 -4.621 1.00 0.00 C ATOM 782 CG MET A 52 -1.064 10.815 -5.099 1.00 0.00 C ATOM 783 SD MET A 52 -0.709 10.941 -6.863 1.00 0.00 S ATOM 784 CE MET A 52 -1.740 12.334 -7.317 1.00 0.00 C ATOM 0 HA MET A 52 -2.962 9.550 -3.480 1.00 0.00 H new ATOM 0 HB2 MET A 52 -0.141 8.988 -4.476 1.00 0.00 H new ATOM 0 HB3 MET A 52 -1.615 8.770 -5.399 1.00 0.00 H new ATOM 0 HG2 MET A 52 -2.005 11.322 -4.885 1.00 0.00 H new ATOM 0 HG3 MET A 52 -0.287 11.334 -4.538 1.00 0.00 H new ATOM 0 HE1 MET A 52 -1.630 12.536 -8.382 1.00 0.00 H new ATOM 0 HE2 MET A 52 -2.782 12.102 -7.098 1.00 0.00 H new ATOM 0 HE3 MET A 52 -1.436 13.212 -6.748 1.00 0.00 H new ATOM 794 N TRP A 53 -3.122 7.298 -2.408 1.00 0.00 N ATOM 795 CA TRP A 53 -3.289 5.912 -1.986 1.00 0.00 C ATOM 796 C TRP A 53 -3.369 4.982 -3.191 1.00 0.00 C ATOM 797 O TRP A 53 -4.212 5.160 -4.069 1.00 0.00 O ATOM 798 CB TRP A 53 -4.547 5.766 -1.129 1.00 0.00 C ATOM 799 CG TRP A 53 -4.429 6.416 0.216 1.00 0.00 C ATOM 800 CD1 TRP A 53 -5.279 7.337 0.759 1.00 0.00 C ATOM 801 CD2 TRP A 53 -3.399 6.197 1.186 1.00 0.00 C ATOM 802 NE1 TRP A 53 -4.840 7.703 2.008 1.00 0.00 N ATOM 803 CE2 TRP A 53 -3.689 7.017 2.294 1.00 0.00 C ATOM 804 CE3 TRP A 53 -2.262 5.387 1.228 1.00 0.00 C ATOM 805 CZ2 TRP A 53 -2.882 7.049 3.428 1.00 0.00 C ATOM 806 CZ3 TRP A 53 -1.461 5.420 2.354 1.00 0.00 C ATOM 807 CH2 TRP A 53 -1.775 6.246 3.442 1.00 0.00 C ATOM 0 H TRP A 53 -3.948 7.882 -2.274 1.00 0.00 H new ATOM 0 HA TRP A 53 -2.419 5.632 -1.392 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -5.393 6.201 -1.661 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -4.765 4.707 -0.995 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -6.166 7.721 0.277 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -5.297 8.376 2.623 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -2.013 4.746 0.395 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -3.122 7.685 4.267 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -0.578 4.799 2.396 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -1.130 6.248 4.308 1.00 0.00 H new ATOM 818 N ASN A 54 -2.486 3.989 -3.227 1.00 0.00 N ATOM 819 CA ASN A 54 -2.457 3.031 -4.326 1.00 0.00 C ATOM 820 C ASN A 54 -1.962 1.669 -3.848 1.00 0.00 C ATOM 821 O ASN A 54 -0.976 1.610 -3.115 1.00 0.00 O ATOM 822 CB ASN A 54 -1.561 3.544 -5.455 1.00 0.00 C ATOM 823 CG ASN A 54 -1.833 4.997 -5.793 1.00 0.00 C ATOM 824 OD1 ASN A 54 -2.916 5.344 -6.265 1.00 0.00 O ATOM 825 ND2 ASN A 54 -0.848 5.855 -5.554 1.00 0.00 N ATOM 0 H ASN A 54 -1.781 3.827 -2.508 1.00 0.00 H new ATOM 0 HA ASN A 54 -3.474 2.917 -4.702 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -0.516 3.430 -5.166 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -1.715 2.932 -6.344 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -0.973 6.846 -5.762 1.00 0.00 H new ATOM 0 HD22 ASN A 54 0.033 5.523 -5.162 1.00 0.00 H new ATOM 832 N HIS A 55 -2.649 0.617 -4.268 1.00 0.00 N ATOM 833 CA HIS A 55 -2.268 -0.730 -3.877 1.00 0.00 C ATOM 834 C HIS A 55 -0.760 -0.911 -4.059 1.00 0.00 C ATOM 835 O HIS A 55 -0.165 -0.472 -5.043 1.00 0.00 O ATOM 836 CB HIS A 55 -3.088 -1.770 -4.644 1.00 0.00 C ATOM 837 CG HIS A 55 -4.576 -1.674 -4.409 1.00 0.00 C ATOM 838 ND1 HIS A 55 -5.442 -1.092 -5.318 1.00 0.00 N ATOM 839 CD2 HIS A 55 -5.342 -2.093 -3.361 1.00 0.00 C ATOM 840 CE1 HIS A 55 -6.671 -1.162 -4.828 1.00 0.00 C ATOM 841 NE2 HIS A 55 -6.607 -1.782 -3.615 1.00 0.00 N ATOM 0 H HIS A 55 -3.467 0.670 -4.875 1.00 0.00 H new ATOM 0 HA HIS A 55 -2.491 -0.883 -2.821 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -2.891 -1.658 -5.710 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -2.749 -2.766 -4.360 1.00 0.00 H new ATOM 0 HD1 HIS A 55 -5.179 -0.679 -6.213 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -4.980 -2.593 -2.475 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -7.567 -0.793 -5.306 1.00 0.00 H new ATOM 849 N ALA A 56 -0.152 -1.574 -3.081 1.00 0.00 N ATOM 850 CA ALA A 56 1.283 -1.830 -3.109 1.00 0.00 C ATOM 851 C ALA A 56 1.676 -2.614 -4.357 1.00 0.00 C ATOM 852 O ALA A 56 2.845 -2.642 -4.741 1.00 0.00 O ATOM 853 CB ALA A 56 1.710 -2.579 -1.856 1.00 0.00 C ATOM 0 H ALA A 56 -0.631 -1.944 -2.260 1.00 0.00 H new ATOM 0 HA ALA A 56 1.798 -0.870 -3.138 1.00 0.00 H new ATOM 0 HB1 ALA A 56 2.784 -2.763 -1.890 1.00 0.00 H new ATOM 0 HB2 ALA A 56 1.473 -1.981 -0.976 1.00 0.00 H new ATOM 0 HB3 ALA A 56 1.180 -3.530 -1.802 1.00 0.00 H new ATOM 859 N SER A 57 0.692 -3.251 -4.984 1.00 0.00 N ATOM 860 CA SER A 57 0.937 -4.040 -6.186 1.00 0.00 C ATOM 861 C SER A 57 0.663 -3.217 -7.441 1.00 0.00 C ATOM 862 O SER A 57 1.112 -3.563 -8.534 1.00 0.00 O ATOM 863 CB SER A 57 0.062 -5.295 -6.184 1.00 0.00 C ATOM 864 OG SER A 57 0.249 -6.049 -7.369 1.00 0.00 O ATOM 0 H SER A 57 -0.282 -3.236 -4.680 1.00 0.00 H new ATOM 0 HA SER A 57 1.986 -4.337 -6.189 1.00 0.00 H new ATOM 0 HB2 SER A 57 0.304 -5.909 -5.317 1.00 0.00 H new ATOM 0 HB3 SER A 57 -0.986 -5.011 -6.092 1.00 0.00 H new ATOM 0 HG SER A 57 -0.320 -6.846 -7.343 1.00 0.00 H new ATOM 870 N CYS A 58 -0.078 -2.127 -7.276 1.00 0.00 N ATOM 871 CA CYS A 58 -0.413 -1.253 -8.394 1.00 0.00 C ATOM 872 C CYS A 58 0.742 -0.308 -8.712 1.00 0.00 C ATOM 873 O CYS A 58 0.942 0.079 -9.863 1.00 0.00 O ATOM 874 CB CYS A 58 -1.674 -0.447 -8.077 1.00 0.00 C ATOM 875 SG CYS A 58 -3.224 -1.384 -8.269 1.00 0.00 S ATOM 0 H CYS A 58 -0.458 -1.827 -6.378 1.00 0.00 H new ATOM 0 HA CYS A 58 -0.598 -1.877 -9.268 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -1.609 -0.079 -7.053 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -1.707 0.426 -8.728 1.00 0.00 H new ATOM 0 HG CYS A 58 -3.334 -1.794 -9.498 1.00 0.00 H new ATOM 880 N ILE A 59 1.498 0.060 -7.683 1.00 0.00 N ATOM 881 CA ILE A 59 2.634 0.958 -7.853 1.00 0.00 C ATOM 882 C ILE A 59 3.870 0.198 -8.320 1.00 0.00 C ATOM 883 O ILE A 59 4.485 0.551 -9.327 1.00 0.00 O ATOM 884 CB ILE A 59 2.965 1.700 -6.544 1.00 0.00 C ATOM 885 CG1 ILE A 59 1.720 2.407 -6.005 1.00 0.00 C ATOM 886 CG2 ILE A 59 4.090 2.698 -6.772 1.00 0.00 C ATOM 887 CD1 ILE A 59 1.148 3.435 -6.956 1.00 0.00 C ATOM 0 H ILE A 59 1.345 -0.250 -6.723 1.00 0.00 H new ATOM 0 HA ILE A 59 2.350 1.686 -8.613 1.00 0.00 H new ATOM 0 HB ILE A 59 3.296 0.972 -5.804 1.00 0.00 H new ATOM 0 HG12 ILE A 59 0.955 1.662 -5.786 1.00 0.00 H new ATOM 0 HG13 ILE A 59 1.969 2.895 -5.063 1.00 0.00 H new ATOM 0 HG21 ILE A 59 4.313 3.215 -5.838 1.00 0.00 H new ATOM 0 HG22 ILE A 59 4.980 2.171 -7.116 1.00 0.00 H new ATOM 0 HG23 ILE A 59 3.785 3.425 -7.525 1.00 0.00 H new ATOM 0 HD11 ILE A 59 0.268 3.895 -6.508 1.00 0.00 H new ATOM 0 HD12 ILE A 59 1.896 4.202 -7.156 1.00 0.00 H new ATOM 0 HD13 ILE A 59 0.867 2.950 -7.891 1.00 0.00 H new ATOM 899 N LEU A 60 4.229 -0.847 -7.583 1.00 0.00 N ATOM 900 CA LEU A 60 5.392 -1.660 -7.923 1.00 0.00 C ATOM 901 C LEU A 60 5.331 -2.118 -9.376 1.00 0.00 C ATOM 902 O LEU A 60 6.351 -2.177 -10.064 1.00 0.00 O ATOM 903 CB LEU A 60 5.479 -2.874 -6.996 1.00 0.00 C ATOM 904 CG LEU A 60 5.654 -2.571 -5.508 1.00 0.00 C ATOM 905 CD1 LEU A 60 5.553 -3.848 -4.688 1.00 0.00 C ATOM 906 CD2 LEU A 60 6.986 -1.879 -5.257 1.00 0.00 C ATOM 0 H LEU A 60 3.732 -1.152 -6.746 1.00 0.00 H new ATOM 0 HA LEU A 60 6.284 -1.047 -7.793 1.00 0.00 H new ATOM 0 HB2 LEU A 60 4.573 -3.467 -7.121 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.314 -3.495 -7.321 1.00 0.00 H new ATOM 0 HG LEU A 60 4.854 -1.899 -5.198 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.680 -3.613 -3.631 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.575 -4.304 -4.843 1.00 0.00 H new ATOM 0 HD13 LEU A 60 6.331 -4.544 -5.001 1.00 0.00 H new ATOM 0 HD21 LEU A 60 7.093 -1.671 -4.192 1.00 0.00 H new ATOM 0 HD22 LEU A 60 7.800 -2.526 -5.584 1.00 0.00 H new ATOM 0 HD23 LEU A 60 7.021 -0.943 -5.815 1.00 0.00 H new ATOM 918 N LYS A 61 4.128 -2.439 -9.840 1.00 0.00 N ATOM 919 CA LYS A 61 3.931 -2.888 -11.213 1.00 0.00 C ATOM 920 C LYS A 61 4.250 -1.772 -12.202 1.00 0.00 C ATOM 921 O LYS A 61 4.516 -2.026 -13.377 1.00 0.00 O ATOM 922 CB LYS A 61 2.491 -3.366 -11.413 1.00 0.00 C ATOM 923 CG LYS A 61 1.478 -2.235 -11.473 1.00 0.00 C ATOM 924 CD LYS A 61 0.293 -2.595 -12.353 1.00 0.00 C ATOM 925 CE LYS A 61 -0.809 -3.273 -11.554 1.00 0.00 C ATOM 926 NZ LYS A 61 -1.589 -4.231 -12.386 1.00 0.00 N ATOM 0 H LYS A 61 3.274 -2.396 -9.284 1.00 0.00 H new ATOM 0 HA LYS A 61 4.612 -3.719 -11.399 1.00 0.00 H new ATOM 0 HB2 LYS A 61 2.433 -3.944 -12.336 1.00 0.00 H new ATOM 0 HB3 LYS A 61 2.224 -4.039 -10.598 1.00 0.00 H new ATOM 0 HG2 LYS A 61 1.128 -2.004 -10.467 1.00 0.00 H new ATOM 0 HG3 LYS A 61 1.958 -1.335 -11.858 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -0.099 -1.693 -12.823 1.00 0.00 H new ATOM 0 HD3 LYS A 61 0.622 -3.256 -13.155 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -0.371 -3.801 -10.707 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -1.480 -2.517 -11.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -2.330 -4.672 -11.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -2.028 -3.723 -13.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -0.954 -4.968 -12.755 1.00 0.00 H new ATOM 940 N LYS A 62 4.224 -0.534 -11.719 1.00 0.00 N ATOM 941 CA LYS A 62 4.513 0.622 -12.559 1.00 0.00 C ATOM 942 C LYS A 62 6.007 0.930 -12.565 1.00 0.00 C ATOM 943 O LYS A 62 6.798 0.233 -11.928 1.00 0.00 O ATOM 944 CB LYS A 62 3.732 1.843 -12.068 1.00 0.00 C ATOM 945 CG LYS A 62 2.266 1.826 -12.464 1.00 0.00 C ATOM 946 CD LYS A 62 1.393 2.469 -11.400 1.00 0.00 C ATOM 947 CE LYS A 62 1.567 3.980 -11.376 1.00 0.00 C ATOM 948 NZ LYS A 62 1.372 4.582 -12.724 1.00 0.00 N ATOM 0 H LYS A 62 4.005 -0.306 -10.749 1.00 0.00 H new ATOM 0 HA LYS A 62 4.204 0.386 -13.577 1.00 0.00 H new ATOM 0 HB2 LYS A 62 3.806 1.898 -10.982 1.00 0.00 H new ATOM 0 HB3 LYS A 62 4.197 2.745 -12.466 1.00 0.00 H new ATOM 0 HG2 LYS A 62 2.137 2.354 -13.409 1.00 0.00 H new ATOM 0 HG3 LYS A 62 1.944 0.797 -12.627 1.00 0.00 H new ATOM 0 HD2 LYS A 62 0.348 2.225 -11.589 1.00 0.00 H new ATOM 0 HD3 LYS A 62 1.645 2.057 -10.423 1.00 0.00 H new ATOM 0 HE2 LYS A 62 0.854 4.417 -10.677 1.00 0.00 H new ATOM 0 HE3 LYS A 62 2.564 4.225 -11.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 1.111 5.584 -12.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 2.255 4.507 -13.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 0.613 4.076 -13.224 1.00 0.00 H new ATOM 962 N THR A 63 6.388 1.979 -13.287 1.00 0.00 N ATOM 963 CA THR A 63 7.786 2.380 -13.376 1.00 0.00 C ATOM 964 C THR A 63 7.990 3.788 -12.828 1.00 0.00 C ATOM 965 O THR A 63 7.040 4.561 -12.704 1.00 0.00 O ATOM 966 CB THR A 63 8.295 2.327 -14.829 1.00 0.00 C ATOM 967 OG1 THR A 63 7.862 1.115 -15.456 1.00 0.00 O ATOM 968 CG2 THR A 63 9.813 2.413 -14.874 1.00 0.00 C ATOM 0 H THR A 63 5.747 2.567 -13.819 1.00 0.00 H new ATOM 0 HA THR A 63 8.356 1.673 -12.774 1.00 0.00 H new ATOM 0 HB THR A 63 7.882 3.181 -15.366 1.00 0.00 H new ATOM 0 HG1 THR A 63 8.188 1.090 -16.380 1.00 0.00 H new ATOM 0 HG21 THR A 63 10.149 2.374 -15.910 1.00 0.00 H new ATOM 0 HG22 THR A 63 10.138 3.350 -14.423 1.00 0.00 H new ATOM 0 HG23 THR A 63 10.241 1.577 -14.322 1.00 0.00 H new ATOM 976 N LYS A 64 9.236 4.116 -12.503 1.00 0.00 N ATOM 977 CA LYS A 64 9.567 5.432 -11.971 1.00 0.00 C ATOM 978 C LYS A 64 8.629 5.808 -10.827 1.00 0.00 C ATOM 979 O LYS A 64 8.080 6.909 -10.801 1.00 0.00 O ATOM 980 CB LYS A 64 9.487 6.487 -13.077 1.00 0.00 C ATOM 981 CG LYS A 64 10.404 6.204 -14.254 1.00 0.00 C ATOM 982 CD LYS A 64 10.789 7.482 -14.981 1.00 0.00 C ATOM 983 CE LYS A 64 11.102 7.217 -16.446 1.00 0.00 C ATOM 984 NZ LYS A 64 12.404 6.515 -16.617 1.00 0.00 N ATOM 0 H LYS A 64 10.034 3.488 -12.599 1.00 0.00 H new ATOM 0 HA LYS A 64 10.586 5.395 -11.586 1.00 0.00 H new ATOM 0 HB2 LYS A 64 8.459 6.549 -13.435 1.00 0.00 H new ATOM 0 HB3 LYS A 64 9.738 7.461 -12.657 1.00 0.00 H new ATOM 0 HG2 LYS A 64 11.304 5.699 -13.902 1.00 0.00 H new ATOM 0 HG3 LYS A 64 9.908 5.525 -14.948 1.00 0.00 H new ATOM 0 HD2 LYS A 64 9.975 8.204 -14.906 1.00 0.00 H new ATOM 0 HD3 LYS A 64 11.657 7.930 -14.497 1.00 0.00 H new ATOM 0 HE2 LYS A 64 10.305 6.616 -16.885 1.00 0.00 H new ATOM 0 HE3 LYS A 64 11.125 8.162 -16.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 12.581 6.353 -17.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 13.168 7.099 -16.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 12.374 5.602 -16.120 1.00 0.00 H new ATOM 998 N GLN A 65 8.454 4.887 -9.885 1.00 0.00 N ATOM 999 CA GLN A 65 7.584 5.123 -8.739 1.00 0.00 C ATOM 1000 C GLN A 65 8.402 5.369 -7.476 1.00 0.00 C ATOM 1001 O GLN A 65 8.225 6.382 -6.798 1.00 0.00 O ATOM 1002 CB GLN A 65 6.646 3.933 -8.530 1.00 0.00 C ATOM 1003 CG GLN A 65 5.814 3.592 -9.756 1.00 0.00 C ATOM 1004 CD GLN A 65 4.758 4.638 -10.054 1.00 0.00 C ATOM 1005 OE1 GLN A 65 3.964 5.001 -9.185 1.00 0.00 O ATOM 1006 NE2 GLN A 65 4.743 5.130 -11.288 1.00 0.00 N ATOM 0 H GLN A 65 8.903 3.971 -9.893 1.00 0.00 H new ATOM 0 HA GLN A 65 6.989 6.013 -8.944 1.00 0.00 H new ATOM 0 HB2 GLN A 65 7.236 3.061 -8.247 1.00 0.00 H new ATOM 0 HB3 GLN A 65 5.978 4.150 -7.696 1.00 0.00 H new ATOM 0 HG2 GLN A 65 6.471 3.489 -10.619 1.00 0.00 H new ATOM 0 HG3 GLN A 65 5.331 2.626 -9.606 1.00 0.00 H new ATOM 0 HE21 GLN A 65 5.420 4.801 -11.977 1.00 0.00 H new ATOM 0 HE22 GLN A 65 4.055 5.837 -11.547 1.00 0.00 H new ATOM 1015 N ILE A 66 9.296 4.437 -7.165 1.00 0.00 N ATOM 1016 CA ILE A 66 10.141 4.553 -5.984 1.00 0.00 C ATOM 1017 C ILE A 66 11.615 4.395 -6.344 1.00 0.00 C ATOM 1018 O ILE A 66 11.973 3.584 -7.198 1.00 0.00 O ATOM 1019 CB ILE A 66 9.769 3.504 -4.919 1.00 0.00 C ATOM 1020 CG1 ILE A 66 8.280 3.598 -4.579 1.00 0.00 C ATOM 1021 CG2 ILE A 66 10.617 3.693 -3.670 1.00 0.00 C ATOM 1022 CD1 ILE A 66 7.789 2.467 -3.702 1.00 0.00 C ATOM 0 H ILE A 66 9.454 3.593 -7.715 1.00 0.00 H new ATOM 0 HA ILE A 66 9.974 5.549 -5.574 1.00 0.00 H new ATOM 0 HB ILE A 66 9.969 2.511 -5.322 1.00 0.00 H new ATOM 0 HG12 ILE A 66 8.089 4.546 -4.076 1.00 0.00 H new ATOM 0 HG13 ILE A 66 7.704 3.606 -5.504 1.00 0.00 H new ATOM 0 HG21 ILE A 66 10.342 2.944 -2.927 1.00 0.00 H new ATOM 0 HG22 ILE A 66 11.671 3.581 -3.925 1.00 0.00 H new ATOM 0 HG23 ILE A 66 10.446 4.689 -3.262 1.00 0.00 H new ATOM 0 HD11 ILE A 66 6.726 2.598 -3.501 1.00 0.00 H new ATOM 0 HD12 ILE A 66 7.948 1.516 -4.211 1.00 0.00 H new ATOM 0 HD13 ILE A 66 8.339 2.471 -2.761 1.00 0.00 H new ATOM 1034 N LYS A 67 12.466 5.175 -5.686 1.00 0.00 N ATOM 1035 CA LYS A 67 13.902 5.120 -5.933 1.00 0.00 C ATOM 1036 C LYS A 67 14.565 4.062 -5.057 1.00 0.00 C ATOM 1037 O LYS A 67 15.362 3.256 -5.537 1.00 0.00 O ATOM 1038 CB LYS A 67 14.538 6.487 -5.670 1.00 0.00 C ATOM 1039 CG LYS A 67 15.805 6.733 -6.471 1.00 0.00 C ATOM 1040 CD LYS A 67 15.497 6.980 -7.939 1.00 0.00 C ATOM 1041 CE LYS A 67 16.719 7.494 -8.685 1.00 0.00 C ATOM 1042 NZ LYS A 67 17.715 6.414 -8.928 1.00 0.00 N ATOM 0 H LYS A 67 12.186 5.853 -4.977 1.00 0.00 H new ATOM 0 HA LYS A 67 14.056 4.849 -6.978 1.00 0.00 H new ATOM 0 HB2 LYS A 67 13.813 7.267 -5.904 1.00 0.00 H new ATOM 0 HB3 LYS A 67 14.767 6.573 -4.608 1.00 0.00 H new ATOM 0 HG2 LYS A 67 16.336 7.592 -6.060 1.00 0.00 H new ATOM 0 HG3 LYS A 67 16.469 5.874 -6.377 1.00 0.00 H new ATOM 0 HD2 LYS A 67 15.150 6.055 -8.400 1.00 0.00 H new ATOM 0 HD3 LYS A 67 14.686 7.703 -8.025 1.00 0.00 H new ATOM 0 HE2 LYS A 67 16.409 7.923 -9.638 1.00 0.00 H new ATOM 0 HE3 LYS A 67 17.185 8.295 -8.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 18.533 6.804 -9.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 18.030 6.021 -8.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 17.279 5.661 -9.497 1.00 0.00 H new ATOM 1056 N SER A 68 14.229 4.070 -3.771 1.00 0.00 N ATOM 1057 CA SER A 68 14.794 3.112 -2.828 1.00 0.00 C ATOM 1058 C SER A 68 13.906 2.975 -1.595 1.00 0.00 C ATOM 1059 O SER A 68 13.159 3.890 -1.249 1.00 0.00 O ATOM 1060 CB SER A 68 16.202 3.544 -2.411 1.00 0.00 C ATOM 1061 OG SER A 68 16.671 2.769 -1.321 1.00 0.00 O ATOM 0 H SER A 68 13.569 4.729 -3.358 1.00 0.00 H new ATOM 0 HA SER A 68 14.851 2.143 -3.323 1.00 0.00 H new ATOM 0 HB2 SER A 68 16.883 3.439 -3.256 1.00 0.00 H new ATOM 0 HB3 SER A 68 16.196 4.599 -2.135 1.00 0.00 H new ATOM 0 HG SER A 68 17.573 3.063 -1.075 1.00 0.00 H new ATOM 1067 N VAL A 69 13.993 1.824 -0.936 1.00 0.00 N ATOM 1068 CA VAL A 69 13.199 1.565 0.259 1.00 0.00 C ATOM 1069 C VAL A 69 13.403 2.659 1.301 1.00 0.00 C ATOM 1070 O VAL A 69 12.503 2.957 2.087 1.00 0.00 O ATOM 1071 CB VAL A 69 13.552 0.203 0.884 1.00 0.00 C ATOM 1072 CG1 VAL A 69 13.018 -0.934 0.026 1.00 0.00 C ATOM 1073 CG2 VAL A 69 15.057 0.078 1.073 1.00 0.00 C ATOM 0 H VAL A 69 14.606 1.056 -1.210 1.00 0.00 H new ATOM 0 HA VAL A 69 12.154 1.553 -0.052 1.00 0.00 H new ATOM 0 HB VAL A 69 13.079 0.139 1.864 1.00 0.00 H new ATOM 0 HG11 VAL A 69 13.278 -1.888 0.484 1.00 0.00 H new ATOM 0 HG12 VAL A 69 11.934 -0.852 -0.053 1.00 0.00 H new ATOM 0 HG13 VAL A 69 13.459 -0.877 -0.969 1.00 0.00 H new ATOM 0 HG21 VAL A 69 15.289 -0.891 1.516 1.00 0.00 H new ATOM 0 HG22 VAL A 69 15.553 0.163 0.106 1.00 0.00 H new ATOM 0 HG23 VAL A 69 15.408 0.872 1.732 1.00 0.00 H new ATOM 1083 N ASP A 70 14.591 3.253 1.302 1.00 0.00 N ATOM 1084 CA ASP A 70 14.913 4.316 2.247 1.00 0.00 C ATOM 1085 C ASP A 70 13.957 5.494 2.088 1.00 0.00 C ATOM 1086 O ASP A 70 13.738 6.260 3.027 1.00 0.00 O ATOM 1087 CB ASP A 70 16.356 4.784 2.049 1.00 0.00 C ATOM 1088 CG ASP A 70 16.711 5.959 2.938 1.00 0.00 C ATOM 1089 OD1 ASP A 70 16.508 5.856 4.166 1.00 0.00 O ATOM 1090 OD2 ASP A 70 17.190 6.982 2.406 1.00 0.00 O ATOM 0 H ASP A 70 15.347 3.017 0.659 1.00 0.00 H new ATOM 0 HA ASP A 70 14.804 3.917 3.255 1.00 0.00 H new ATOM 0 HB2 ASP A 70 17.035 3.957 2.257 1.00 0.00 H new ATOM 0 HB3 ASP A 70 16.504 5.064 1.006 1.00 0.00 H new ATOM 1095 N ASP A 71 13.391 5.632 0.894 1.00 0.00 N ATOM 1096 CA ASP A 71 12.458 6.717 0.611 1.00 0.00 C ATOM 1097 C ASP A 71 11.068 6.392 1.149 1.00 0.00 C ATOM 1098 O ASP A 71 10.267 7.289 1.413 1.00 0.00 O ATOM 1099 CB ASP A 71 12.388 6.978 -0.894 1.00 0.00 C ATOM 1100 CG ASP A 71 13.573 7.777 -1.399 1.00 0.00 C ATOM 1101 OD1 ASP A 71 14.634 7.746 -0.740 1.00 0.00 O ATOM 1102 OD2 ASP A 71 13.440 8.433 -2.453 1.00 0.00 O ATOM 0 H ASP A 71 13.562 5.006 0.107 1.00 0.00 H new ATOM 0 HA ASP A 71 12.821 7.615 1.111 1.00 0.00 H new ATOM 0 HB2 ASP A 71 12.343 6.026 -1.423 1.00 0.00 H new ATOM 0 HB3 ASP A 71 11.467 7.514 -1.124 1.00 0.00 H new ATOM 1107 N VAL A 72 10.787 5.102 1.308 1.00 0.00 N ATOM 1108 CA VAL A 72 9.494 4.658 1.814 1.00 0.00 C ATOM 1109 C VAL A 72 9.449 4.720 3.337 1.00 0.00 C ATOM 1110 O VAL A 72 10.390 4.304 4.012 1.00 0.00 O ATOM 1111 CB VAL A 72 9.177 3.221 1.360 1.00 0.00 C ATOM 1112 CG1 VAL A 72 7.775 2.821 1.794 1.00 0.00 C ATOM 1113 CG2 VAL A 72 9.334 3.092 -0.147 1.00 0.00 C ATOM 0 H VAL A 72 11.438 4.346 1.094 1.00 0.00 H new ATOM 0 HA VAL A 72 8.744 5.334 1.403 1.00 0.00 H new ATOM 0 HB VAL A 72 9.886 2.543 1.836 1.00 0.00 H new ATOM 0 HG11 VAL A 72 7.569 1.803 1.464 1.00 0.00 H new ATOM 0 HG12 VAL A 72 7.702 2.873 2.880 1.00 0.00 H new ATOM 0 HG13 VAL A 72 7.048 3.501 1.349 1.00 0.00 H new ATOM 0 HG21 VAL A 72 9.106 2.070 -0.450 1.00 0.00 H new ATOM 0 HG22 VAL A 72 8.650 3.779 -0.644 1.00 0.00 H new ATOM 0 HG23 VAL A 72 10.359 3.334 -0.428 1.00 0.00 H new ATOM 1123 N GLU A 73 8.349 5.242 3.871 1.00 0.00 N ATOM 1124 CA GLU A 73 8.182 5.358 5.315 1.00 0.00 C ATOM 1125 C GLU A 73 7.373 4.187 5.865 1.00 0.00 C ATOM 1126 O GLU A 73 6.587 3.569 5.147 1.00 0.00 O ATOM 1127 CB GLU A 73 7.493 6.678 5.666 1.00 0.00 C ATOM 1128 CG GLU A 73 7.566 7.028 7.143 1.00 0.00 C ATOM 1129 CD GLU A 73 6.861 8.331 7.469 1.00 0.00 C ATOM 1130 OE1 GLU A 73 7.456 9.403 7.230 1.00 0.00 O ATOM 1131 OE2 GLU A 73 5.715 8.278 7.962 1.00 0.00 O ATOM 0 H GLU A 73 7.561 5.591 3.326 1.00 0.00 H new ATOM 0 HA GLU A 73 9.171 5.340 5.772 1.00 0.00 H new ATOM 0 HB2 GLU A 73 7.949 7.481 5.088 1.00 0.00 H new ATOM 0 HB3 GLU A 73 6.447 6.623 5.365 1.00 0.00 H new ATOM 0 HG2 GLU A 73 7.120 6.222 7.726 1.00 0.00 H new ATOM 0 HG3 GLU A 73 8.611 7.099 7.445 1.00 0.00 H new ATOM 1138 N GLY A 74 7.572 3.887 7.145 1.00 0.00 N ATOM 1139 CA GLY A 74 6.855 2.791 7.770 1.00 0.00 C ATOM 1140 C GLY A 74 6.999 1.491 7.003 1.00 0.00 C ATOM 1141 O GLY A 74 6.184 0.581 7.152 1.00 0.00 O ATOM 0 H GLY A 74 8.217 4.383 7.760 1.00 0.00 H new ATOM 0 HA2 GLY A 74 7.224 2.652 8.786 1.00 0.00 H new ATOM 0 HA3 GLY A 74 5.799 3.049 7.847 1.00 0.00 H new ATOM 1145 N ILE A 75 8.037 1.405 6.178 1.00 0.00 N ATOM 1146 CA ILE A 75 8.284 0.208 5.384 1.00 0.00 C ATOM 1147 C ILE A 75 8.848 -0.917 6.246 1.00 0.00 C ATOM 1148 O ILE A 75 8.786 -2.088 5.873 1.00 0.00 O ATOM 1149 CB ILE A 75 9.260 0.491 4.226 1.00 0.00 C ATOM 1150 CG1 ILE A 75 9.303 -0.699 3.265 1.00 0.00 C ATOM 1151 CG2 ILE A 75 10.649 0.793 4.767 1.00 0.00 C ATOM 1152 CD1 ILE A 75 10.081 -0.423 1.997 1.00 0.00 C ATOM 0 H ILE A 75 8.720 2.150 6.042 1.00 0.00 H new ATOM 0 HA ILE A 75 7.323 -0.100 4.971 1.00 0.00 H new ATOM 0 HB ILE A 75 8.908 1.364 3.677 1.00 0.00 H new ATOM 0 HG12 ILE A 75 9.748 -1.553 3.776 1.00 0.00 H new ATOM 0 HG13 ILE A 75 8.283 -0.981 3.002 1.00 0.00 H new ATOM 0 HG21 ILE A 75 11.328 0.991 3.937 1.00 0.00 H new ATOM 0 HG22 ILE A 75 10.604 1.668 5.416 1.00 0.00 H new ATOM 0 HG23 ILE A 75 11.012 -0.063 5.336 1.00 0.00 H new ATOM 0 HD11 ILE A 75 10.070 -1.310 1.363 1.00 0.00 H new ATOM 0 HD12 ILE A 75 9.624 0.410 1.464 1.00 0.00 H new ATOM 0 HD13 ILE A 75 11.111 -0.171 2.250 1.00 0.00 H new ATOM 1164 N GLU A 76 9.396 -0.552 7.401 1.00 0.00 N ATOM 1165 CA GLU A 76 9.970 -1.531 8.316 1.00 0.00 C ATOM 1166 C GLU A 76 8.877 -2.234 9.116 1.00 0.00 C ATOM 1167 O GLU A 76 9.117 -3.267 9.741 1.00 0.00 O ATOM 1168 CB GLU A 76 10.959 -0.855 9.267 1.00 0.00 C ATOM 1169 CG GLU A 76 10.334 0.239 10.118 1.00 0.00 C ATOM 1170 CD GLU A 76 11.017 0.393 11.463 1.00 0.00 C ATOM 1171 OE1 GLU A 76 11.037 -0.591 12.234 1.00 0.00 O ATOM 1172 OE2 GLU A 76 11.530 1.495 11.746 1.00 0.00 O ATOM 0 H GLU A 76 9.454 0.414 7.725 1.00 0.00 H new ATOM 0 HA GLU A 76 10.500 -2.277 7.724 1.00 0.00 H new ATOM 0 HB2 GLU A 76 11.394 -1.610 9.922 1.00 0.00 H new ATOM 0 HB3 GLU A 76 11.776 -0.429 8.685 1.00 0.00 H new ATOM 0 HG2 GLU A 76 10.382 1.185 9.580 1.00 0.00 H new ATOM 0 HG3 GLU A 76 9.279 0.015 10.274 1.00 0.00 H new ATOM 1179 N SER A 77 7.676 -1.665 9.093 1.00 0.00 N ATOM 1180 CA SER A 77 6.547 -2.234 9.819 1.00 0.00 C ATOM 1181 C SER A 77 5.799 -3.245 8.956 1.00 0.00 C ATOM 1182 O SER A 77 5.054 -4.083 9.465 1.00 0.00 O ATOM 1183 CB SER A 77 5.592 -1.125 10.268 1.00 0.00 C ATOM 1184 OG SER A 77 4.429 -1.667 10.871 1.00 0.00 O ATOM 0 H SER A 77 7.460 -0.811 8.580 1.00 0.00 H new ATOM 0 HA SER A 77 6.935 -2.749 10.698 1.00 0.00 H new ATOM 0 HB2 SER A 77 6.099 -0.468 10.974 1.00 0.00 H new ATOM 0 HB3 SER A 77 5.310 -0.514 9.410 1.00 0.00 H new ATOM 0 HG SER A 77 3.836 -0.939 11.150 1.00 0.00 H new ATOM 1190 N LEU A 78 6.004 -3.162 7.646 1.00 0.00 N ATOM 1191 CA LEU A 78 5.350 -4.069 6.710 1.00 0.00 C ATOM 1192 C LEU A 78 5.890 -5.488 6.860 1.00 0.00 C ATOM 1193 O LEU A 78 7.005 -5.691 7.342 1.00 0.00 O ATOM 1194 CB LEU A 78 5.552 -3.584 5.273 1.00 0.00 C ATOM 1195 CG LEU A 78 5.258 -2.105 5.017 1.00 0.00 C ATOM 1196 CD1 LEU A 78 5.496 -1.759 3.555 1.00 0.00 C ATOM 1197 CD2 LEU A 78 3.830 -1.768 5.420 1.00 0.00 C ATOM 0 H LEU A 78 6.618 -2.475 7.208 1.00 0.00 H new ATOM 0 HA LEU A 78 4.284 -4.079 6.937 1.00 0.00 H new ATOM 0 HB2 LEU A 78 6.584 -3.784 4.985 1.00 0.00 H new ATOM 0 HB3 LEU A 78 4.917 -4.179 4.617 1.00 0.00 H new ATOM 0 HG LEU A 78 5.937 -1.508 5.626 1.00 0.00 H new ATOM 0 HD11 LEU A 78 5.282 -0.703 3.392 1.00 0.00 H new ATOM 0 HD12 LEU A 78 6.535 -1.963 3.297 1.00 0.00 H new ATOM 0 HD13 LEU A 78 4.842 -2.363 2.927 1.00 0.00 H new ATOM 0 HD21 LEU A 78 3.638 -0.712 5.231 1.00 0.00 H new ATOM 0 HD22 LEU A 78 3.135 -2.373 4.837 1.00 0.00 H new ATOM 0 HD23 LEU A 78 3.692 -1.978 6.481 1.00 0.00 H new ATOM 1209 N ARG A 79 5.094 -6.466 6.441 1.00 0.00 N ATOM 1210 CA ARG A 79 5.493 -7.866 6.528 1.00 0.00 C ATOM 1211 C ARG A 79 6.712 -8.139 5.652 1.00 0.00 C ATOM 1212 O ARG A 79 6.855 -7.563 4.573 1.00 0.00 O ATOM 1213 CB ARG A 79 4.336 -8.775 6.108 1.00 0.00 C ATOM 1214 CG ARG A 79 3.227 -8.866 7.144 1.00 0.00 C ATOM 1215 CD ARG A 79 3.727 -9.477 8.444 1.00 0.00 C ATOM 1216 NE ARG A 79 4.387 -8.489 9.294 1.00 0.00 N ATOM 1217 CZ ARG A 79 5.067 -8.802 10.391 1.00 0.00 C ATOM 1218 NH1 ARG A 79 5.177 -10.068 10.769 1.00 0.00 N ATOM 1219 NH2 ARG A 79 5.640 -7.847 11.113 1.00 0.00 N ATOM 0 H ARG A 79 4.169 -6.315 6.038 1.00 0.00 H new ATOM 0 HA ARG A 79 5.756 -8.079 7.564 1.00 0.00 H new ATOM 0 HB2 ARG A 79 3.917 -8.407 5.171 1.00 0.00 H new ATOM 0 HB3 ARG A 79 4.723 -9.775 5.913 1.00 0.00 H new ATOM 0 HG2 ARG A 79 2.827 -7.871 7.339 1.00 0.00 H new ATOM 0 HG3 ARG A 79 2.408 -9.467 6.750 1.00 0.00 H new ATOM 0 HD2 ARG A 79 2.889 -9.918 8.984 1.00 0.00 H new ATOM 0 HD3 ARG A 79 4.423 -10.286 8.221 1.00 0.00 H new ATOM 0 HE ARG A 79 4.322 -7.506 9.031 1.00 0.00 H new ATOM 0 HH11 ARG A 79 4.739 -10.805 10.217 1.00 0.00 H new ATOM 0 HH12 ARG A 79 5.700 -10.305 11.612 1.00 0.00 H new ATOM 0 HH21 ARG A 79 5.558 -6.872 10.825 1.00 0.00 H new ATOM 0 HH22 ARG A 79 6.162 -8.088 11.955 1.00 0.00 H new ATOM 1233 N TRP A 80 7.586 -9.021 6.122 1.00 0.00 N ATOM 1234 CA TRP A 80 8.793 -9.371 5.382 1.00 0.00 C ATOM 1235 C TRP A 80 8.515 -9.429 3.884 1.00 0.00 C ATOM 1236 O TRP A 80 9.134 -8.710 3.101 1.00 0.00 O ATOM 1237 CB TRP A 80 9.341 -10.715 5.864 1.00 0.00 C ATOM 1238 CG TRP A 80 10.277 -11.360 4.888 1.00 0.00 C ATOM 1239 CD1 TRP A 80 11.506 -10.902 4.506 1.00 0.00 C ATOM 1240 CD2 TRP A 80 10.059 -12.578 4.167 1.00 0.00 C ATOM 1241 NE1 TRP A 80 12.065 -11.763 3.592 1.00 0.00 N ATOM 1242 CE2 TRP A 80 11.197 -12.799 3.368 1.00 0.00 C ATOM 1243 CE3 TRP A 80 9.013 -13.504 4.121 1.00 0.00 C ATOM 1244 CZ2 TRP A 80 11.316 -13.907 2.534 1.00 0.00 C ATOM 1245 CZ3 TRP A 80 9.133 -14.603 3.292 1.00 0.00 C ATOM 1246 CH2 TRP A 80 10.278 -14.798 2.508 1.00 0.00 C ATOM 0 H TRP A 80 7.482 -9.507 7.013 1.00 0.00 H new ATOM 0 HA TRP A 80 9.538 -8.597 5.565 1.00 0.00 H new ATOM 0 HB2 TRP A 80 9.860 -10.569 6.811 1.00 0.00 H new ATOM 0 HB3 TRP A 80 8.508 -11.390 6.058 1.00 0.00 H new ATOM 0 HD1 TRP A 80 11.970 -9.997 4.869 1.00 0.00 H new ATOM 0 HE1 TRP A 80 12.978 -11.649 3.152 1.00 0.00 H new ATOM 0 HE3 TRP A 80 8.127 -13.363 4.722 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 12.197 -14.058 1.928 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 8.330 -15.324 3.248 1.00 0.00 H new ATOM 0 HH2 TRP A 80 10.342 -15.668 1.871 1.00 0.00 H new ATOM 1257 N GLU A 81 7.580 -10.290 3.493 1.00 0.00 N ATOM 1258 CA GLU A 81 7.222 -10.441 2.087 1.00 0.00 C ATOM 1259 C GLU A 81 6.972 -9.082 1.440 1.00 0.00 C ATOM 1260 O GLU A 81 7.393 -8.834 0.310 1.00 0.00 O ATOM 1261 CB GLU A 81 5.979 -11.322 1.947 1.00 0.00 C ATOM 1262 CG GLU A 81 4.674 -10.568 2.141 1.00 0.00 C ATOM 1263 CD GLU A 81 3.456 -11.453 1.960 1.00 0.00 C ATOM 1264 OE1 GLU A 81 3.125 -11.778 0.801 1.00 0.00 O ATOM 1265 OE2 GLU A 81 2.834 -11.822 2.979 1.00 0.00 O ATOM 0 H GLU A 81 7.058 -10.893 4.129 1.00 0.00 H new ATOM 0 HA GLU A 81 8.057 -10.919 1.575 1.00 0.00 H new ATOM 0 HB2 GLU A 81 5.980 -11.782 0.959 1.00 0.00 H new ATOM 0 HB3 GLU A 81 6.033 -12.131 2.676 1.00 0.00 H new ATOM 0 HG2 GLU A 81 4.656 -10.131 3.140 1.00 0.00 H new ATOM 0 HG3 GLU A 81 4.627 -9.742 1.431 1.00 0.00 H new ATOM 1272 N ASP A 82 6.284 -8.207 2.165 1.00 0.00 N ATOM 1273 CA ASP A 82 5.977 -6.872 1.663 1.00 0.00 C ATOM 1274 C ASP A 82 7.252 -6.057 1.472 1.00 0.00 C ATOM 1275 O ASP A 82 7.509 -5.534 0.388 1.00 0.00 O ATOM 1276 CB ASP A 82 5.032 -6.148 2.622 1.00 0.00 C ATOM 1277 CG ASP A 82 3.709 -6.869 2.786 1.00 0.00 C ATOM 1278 OD1 ASP A 82 3.714 -8.117 2.832 1.00 0.00 O ATOM 1279 OD2 ASP A 82 2.667 -6.185 2.869 1.00 0.00 O ATOM 0 H ASP A 82 5.928 -8.398 3.102 1.00 0.00 H new ATOM 0 HA ASP A 82 5.487 -6.978 0.695 1.00 0.00 H new ATOM 0 HB2 ASP A 82 5.512 -6.050 3.596 1.00 0.00 H new ATOM 0 HB3 ASP A 82 4.849 -5.138 2.254 1.00 0.00 H new ATOM 1284 N GLN A 83 8.046 -5.953 2.533 1.00 0.00 N ATOM 1285 CA GLN A 83 9.293 -5.199 2.483 1.00 0.00 C ATOM 1286 C GLN A 83 10.145 -5.636 1.295 1.00 0.00 C ATOM 1287 O GLN A 83 10.872 -4.832 0.713 1.00 0.00 O ATOM 1288 CB GLN A 83 10.077 -5.383 3.783 1.00 0.00 C ATOM 1289 CG GLN A 83 9.298 -4.982 5.025 1.00 0.00 C ATOM 1290 CD GLN A 83 10.194 -4.741 6.224 1.00 0.00 C ATOM 1291 OE1 GLN A 83 11.266 -4.147 6.103 1.00 0.00 O ATOM 1292 NE2 GLN A 83 9.759 -5.202 7.391 1.00 0.00 N ATOM 0 H GLN A 83 7.848 -6.381 3.437 1.00 0.00 H new ATOM 0 HA GLN A 83 9.047 -4.144 2.362 1.00 0.00 H new ATOM 0 HB2 GLN A 83 10.375 -6.428 3.873 1.00 0.00 H new ATOM 0 HB3 GLN A 83 10.992 -4.793 3.732 1.00 0.00 H new ATOM 0 HG2 GLN A 83 8.728 -4.077 4.815 1.00 0.00 H new ATOM 0 HG3 GLN A 83 8.578 -5.764 5.266 1.00 0.00 H new ATOM 0 HE21 GLN A 83 8.864 -5.689 7.446 1.00 0.00 H new ATOM 0 HE22 GLN A 83 10.320 -5.069 8.233 1.00 0.00 H new ATOM 1301 N GLN A 84 10.050 -6.914 0.943 1.00 0.00 N ATOM 1302 CA GLN A 84 10.813 -7.457 -0.174 1.00 0.00 C ATOM 1303 C GLN A 84 10.299 -6.910 -1.502 1.00 0.00 C ATOM 1304 O GLN A 84 11.079 -6.605 -2.405 1.00 0.00 O ATOM 1305 CB GLN A 84 10.738 -8.985 -0.176 1.00 0.00 C ATOM 1306 CG GLN A 84 11.230 -9.619 1.115 1.00 0.00 C ATOM 1307 CD GLN A 84 12.714 -9.925 1.087 1.00 0.00 C ATOM 1308 OE1 GLN A 84 13.485 -9.394 1.887 1.00 0.00 O ATOM 1309 NE2 GLN A 84 13.124 -10.786 0.163 1.00 0.00 N ATOM 0 H GLN A 84 9.452 -7.592 1.415 1.00 0.00 H new ATOM 0 HA GLN A 84 11.852 -7.151 -0.053 1.00 0.00 H new ATOM 0 HB2 GLN A 84 9.706 -9.290 -0.351 1.00 0.00 H new ATOM 0 HB3 GLN A 84 11.329 -9.369 -1.008 1.00 0.00 H new ATOM 0 HG2 GLN A 84 11.017 -8.949 1.948 1.00 0.00 H new ATOM 0 HG3 GLN A 84 10.676 -10.540 1.297 1.00 0.00 H new ATOM 0 HE21 GLN A 84 12.451 -11.203 -0.480 1.00 0.00 H new ATOM 0 HE22 GLN A 84 14.112 -11.031 0.096 1.00 0.00 H new ATOM 1318 N LYS A 85 8.980 -6.787 -1.614 1.00 0.00 N ATOM 1319 CA LYS A 85 8.360 -6.275 -2.831 1.00 0.00 C ATOM 1320 C LYS A 85 8.895 -4.888 -3.173 1.00 0.00 C ATOM 1321 O LYS A 85 8.882 -4.476 -4.333 1.00 0.00 O ATOM 1322 CB LYS A 85 6.840 -6.221 -2.669 1.00 0.00 C ATOM 1323 CG LYS A 85 6.202 -7.584 -2.460 1.00 0.00 C ATOM 1324 CD LYS A 85 4.716 -7.464 -2.166 1.00 0.00 C ATOM 1325 CE LYS A 85 4.232 -8.594 -1.270 1.00 0.00 C ATOM 1326 NZ LYS A 85 2.787 -8.458 -0.936 1.00 0.00 N ATOM 0 H LYS A 85 8.320 -7.035 -0.877 1.00 0.00 H new ATOM 0 HA LYS A 85 8.609 -6.952 -3.648 1.00 0.00 H new ATOM 0 HB2 LYS A 85 6.596 -5.581 -1.821 1.00 0.00 H new ATOM 0 HB3 LYS A 85 6.405 -5.757 -3.554 1.00 0.00 H new ATOM 0 HG2 LYS A 85 6.350 -8.196 -3.350 1.00 0.00 H new ATOM 0 HG3 LYS A 85 6.697 -8.096 -1.635 1.00 0.00 H new ATOM 0 HD2 LYS A 85 4.515 -6.506 -1.686 1.00 0.00 H new ATOM 0 HD3 LYS A 85 4.157 -7.475 -3.102 1.00 0.00 H new ATOM 0 HE2 LYS A 85 4.401 -9.549 -1.767 1.00 0.00 H new ATOM 0 HE3 LYS A 85 4.818 -8.605 -0.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 2.496 -9.247 -0.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 2.629 -7.558 -0.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 2.225 -8.474 -1.811 1.00 0.00 H new ATOM 1340 N ILE A 86 9.367 -4.174 -2.156 1.00 0.00 N ATOM 1341 CA ILE A 86 9.909 -2.835 -2.350 1.00 0.00 C ATOM 1342 C ILE A 86 11.363 -2.891 -2.805 1.00 0.00 C ATOM 1343 O ILE A 86 11.692 -2.482 -3.919 1.00 0.00 O ATOM 1344 CB ILE A 86 9.818 -1.998 -1.060 1.00 0.00 C ATOM 1345 CG1 ILE A 86 8.477 -2.238 -0.364 1.00 0.00 C ATOM 1346 CG2 ILE A 86 10.002 -0.521 -1.373 1.00 0.00 C ATOM 1347 CD1 ILE A 86 7.302 -1.615 -1.085 1.00 0.00 C ATOM 0 H ILE A 86 9.385 -4.501 -1.190 1.00 0.00 H new ATOM 0 HA ILE A 86 9.307 -2.360 -3.124 1.00 0.00 H new ATOM 0 HB ILE A 86 10.616 -2.308 -0.386 1.00 0.00 H new ATOM 0 HG12 ILE A 86 8.310 -3.311 -0.274 1.00 0.00 H new ATOM 0 HG13 ILE A 86 8.526 -1.837 0.649 1.00 0.00 H new ATOM 0 HG21 ILE A 86 9.935 0.057 -0.451 1.00 0.00 H new ATOM 0 HG22 ILE A 86 10.980 -0.365 -1.829 1.00 0.00 H new ATOM 0 HG23 ILE A 86 9.223 -0.196 -2.063 1.00 0.00 H new ATOM 0 HD11 ILE A 86 6.385 -1.825 -0.535 1.00 0.00 H new ATOM 0 HD12 ILE A 86 7.446 -0.537 -1.151 1.00 0.00 H new ATOM 0 HD13 ILE A 86 7.227 -2.034 -2.089 1.00 0.00 H new ATOM 1359 N ARG A 87 12.230 -3.401 -1.937 1.00 0.00 N ATOM 1360 CA ARG A 87 13.649 -3.512 -2.250 1.00 0.00 C ATOM 1361 C ARG A 87 13.860 -4.260 -3.563 1.00 0.00 C ATOM 1362 O ARG A 87 14.719 -3.896 -4.366 1.00 0.00 O ATOM 1363 CB ARG A 87 14.389 -4.228 -1.118 1.00 0.00 C ATOM 1364 CG ARG A 87 13.702 -5.501 -0.651 1.00 0.00 C ATOM 1365 CD ARG A 87 13.917 -5.737 0.835 1.00 0.00 C ATOM 1366 NE ARG A 87 15.071 -6.595 1.092 1.00 0.00 N ATOM 1367 CZ ARG A 87 15.743 -6.600 2.238 1.00 0.00 C ATOM 1368 NH1 ARG A 87 15.377 -5.797 3.228 1.00 0.00 N ATOM 1369 NH2 ARG A 87 16.783 -7.409 2.395 1.00 0.00 N ATOM 0 H ARG A 87 11.974 -3.744 -1.011 1.00 0.00 H new ATOM 0 HA ARG A 87 14.051 -2.504 -2.357 1.00 0.00 H new ATOM 0 HB2 ARG A 87 15.398 -4.471 -1.451 1.00 0.00 H new ATOM 0 HB3 ARG A 87 14.488 -3.547 -0.272 1.00 0.00 H new ATOM 0 HG2 ARG A 87 12.634 -5.437 -0.859 1.00 0.00 H new ATOM 0 HG3 ARG A 87 14.086 -6.351 -1.215 1.00 0.00 H new ATOM 0 HD2 ARG A 87 14.058 -4.780 1.337 1.00 0.00 H new ATOM 0 HD3 ARG A 87 13.024 -6.193 1.263 1.00 0.00 H new ATOM 0 HE ARG A 87 15.378 -7.225 0.351 1.00 0.00 H new ATOM 0 HH11 ARG A 87 14.578 -5.174 3.110 1.00 0.00 H new ATOM 0 HH12 ARG A 87 15.894 -5.803 4.107 1.00 0.00 H new ATOM 0 HH21 ARG A 87 17.067 -8.028 1.635 1.00 0.00 H new ATOM 0 HH22 ARG A 87 17.298 -7.412 3.275 1.00 0.00 H new ATOM 1383 N LYS A 88 13.071 -5.308 -3.773 1.00 0.00 N ATOM 1384 CA LYS A 88 13.170 -6.108 -4.988 1.00 0.00 C ATOM 1385 C LYS A 88 12.598 -5.354 -6.184 1.00 0.00 C ATOM 1386 O LYS A 88 12.535 -5.886 -7.293 1.00 0.00 O ATOM 1387 CB LYS A 88 12.432 -7.437 -4.809 1.00 0.00 C ATOM 1388 CG LYS A 88 12.842 -8.197 -3.560 1.00 0.00 C ATOM 1389 CD LYS A 88 13.995 -9.147 -3.838 1.00 0.00 C ATOM 1390 CE LYS A 88 13.502 -10.476 -4.389 1.00 0.00 C ATOM 1391 NZ LYS A 88 12.782 -11.271 -3.356 1.00 0.00 N ATOM 0 H LYS A 88 12.356 -5.623 -3.118 1.00 0.00 H new ATOM 0 HA LYS A 88 14.225 -6.307 -5.177 1.00 0.00 H new ATOM 0 HB2 LYS A 88 11.360 -7.245 -4.772 1.00 0.00 H new ATOM 0 HB3 LYS A 88 12.614 -8.064 -5.682 1.00 0.00 H new ATOM 0 HG2 LYS A 88 13.131 -7.491 -2.782 1.00 0.00 H new ATOM 0 HG3 LYS A 88 11.990 -8.760 -3.179 1.00 0.00 H new ATOM 0 HD2 LYS A 88 14.682 -8.689 -4.550 1.00 0.00 H new ATOM 0 HD3 LYS A 88 14.556 -9.318 -2.919 1.00 0.00 H new ATOM 0 HE2 LYS A 88 12.839 -10.295 -5.235 1.00 0.00 H new ATOM 0 HE3 LYS A 88 14.349 -11.050 -4.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 12.775 -12.274 -3.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 13.264 -11.168 -2.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 11.804 -10.928 -3.273 1.00 0.00 H new ATOM 1405 N TYR A 89 12.182 -4.114 -5.952 1.00 0.00 N ATOM 1406 CA TYR A 89 11.615 -3.288 -7.011 1.00 0.00 C ATOM 1407 C TYR A 89 12.490 -2.067 -7.278 1.00 0.00 C ATOM 1408 O TYR A 89 12.629 -1.625 -8.418 1.00 0.00 O ATOM 1409 CB TYR A 89 10.200 -2.842 -6.636 1.00 0.00 C ATOM 1410 CG TYR A 89 9.701 -1.667 -7.445 1.00 0.00 C ATOM 1411 CD1 TYR A 89 9.097 -1.857 -8.682 1.00 0.00 C ATOM 1412 CD2 TYR A 89 9.834 -0.367 -6.974 1.00 0.00 C ATOM 1413 CE1 TYR A 89 8.640 -0.786 -9.426 1.00 0.00 C ATOM 1414 CE2 TYR A 89 9.378 0.710 -7.710 1.00 0.00 C ATOM 1415 CZ TYR A 89 8.782 0.495 -8.935 1.00 0.00 C ATOM 1416 OH TYR A 89 8.328 1.565 -9.672 1.00 0.00 O ATOM 0 H TYR A 89 12.227 -3.659 -5.040 1.00 0.00 H new ATOM 0 HA TYR A 89 11.572 -3.888 -7.920 1.00 0.00 H new ATOM 0 HB2 TYR A 89 9.517 -3.681 -6.769 1.00 0.00 H new ATOM 0 HB3 TYR A 89 10.179 -2.579 -5.578 1.00 0.00 H new ATOM 0 HD1 TYR A 89 8.983 -2.859 -9.069 1.00 0.00 H new ATOM 0 HD2 TYR A 89 10.302 -0.195 -6.016 1.00 0.00 H new ATOM 0 HE1 TYR A 89 8.174 -0.951 -10.386 1.00 0.00 H new ATOM 0 HE2 TYR A 89 9.488 1.714 -7.328 1.00 0.00 H new ATOM 0 HH TYR A 89 7.813 1.239 -10.439 1.00 0.00 H new ATOM 1426 N VAL A 90 13.080 -1.527 -6.216 1.00 0.00 N ATOM 1427 CA VAL A 90 13.944 -0.358 -6.334 1.00 0.00 C ATOM 1428 C VAL A 90 15.338 -0.751 -6.811 1.00 0.00 C ATOM 1429 O VAL A 90 16.043 0.049 -7.425 1.00 0.00 O ATOM 1430 CB VAL A 90 14.064 0.389 -4.992 1.00 0.00 C ATOM 1431 CG1 VAL A 90 12.755 1.084 -4.649 1.00 0.00 C ATOM 1432 CG2 VAL A 90 14.474 -0.569 -3.884 1.00 0.00 C ATOM 0 H VAL A 90 12.976 -1.880 -5.265 1.00 0.00 H new ATOM 0 HA VAL A 90 13.484 0.303 -7.069 1.00 0.00 H new ATOM 0 HB VAL A 90 14.838 1.150 -5.088 1.00 0.00 H new ATOM 0 HG11 VAL A 90 12.859 1.606 -3.698 1.00 0.00 H new ATOM 0 HG12 VAL A 90 12.508 1.801 -5.432 1.00 0.00 H new ATOM 0 HG13 VAL A 90 11.959 0.343 -4.571 1.00 0.00 H new ATOM 0 HG21 VAL A 90 14.554 -0.024 -2.943 1.00 0.00 H new ATOM 0 HG22 VAL A 90 13.724 -1.354 -3.786 1.00 0.00 H new ATOM 0 HG23 VAL A 90 15.438 -1.016 -4.128 1.00 0.00 H new ATOM 1442 N GLU A 91 15.729 -1.989 -6.523 1.00 0.00 N ATOM 1443 CA GLU A 91 17.039 -2.487 -6.923 1.00 0.00 C ATOM 1444 C GLU A 91 17.036 -2.914 -8.388 1.00 0.00 C ATOM 1445 O GLU A 91 17.896 -2.505 -9.167 1.00 0.00 O ATOM 1446 CB GLU A 91 17.453 -3.665 -6.038 1.00 0.00 C ATOM 1447 CG GLU A 91 17.640 -3.293 -4.577 1.00 0.00 C ATOM 1448 CD GLU A 91 19.016 -2.724 -4.292 1.00 0.00 C ATOM 1449 OE1 GLU A 91 20.013 -3.327 -4.741 1.00 0.00 O ATOM 1450 OE2 GLU A 91 19.095 -1.674 -3.619 1.00 0.00 O ATOM 0 H GLU A 91 15.158 -2.664 -6.015 1.00 0.00 H new ATOM 0 HA GLU A 91 17.759 -1.678 -6.800 1.00 0.00 H new ATOM 0 HB2 GLU A 91 16.697 -4.447 -6.111 1.00 0.00 H new ATOM 0 HB3 GLU A 91 18.384 -4.085 -6.419 1.00 0.00 H new ATOM 0 HG2 GLU A 91 16.883 -2.563 -4.292 1.00 0.00 H new ATOM 0 HG3 GLU A 91 17.480 -4.176 -3.958 1.00 0.00 H new