USER MOD reduce.3.24.130724 H: found=0, std=0, add=489, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 487 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 22 THR OG1 : rot 125:sc= 2.13 USER MOD Set 1.2: A 26 HIS : no HE2:sc= -1.41 K(o=0.71,f=-2.2!) USER MOD Set 2.1: A 1 GLY N :NH3+ -164:sc= 2.28 (180deg=1.15) USER MOD Set 2.2: A 5 SER OG : rot 109:sc= 1.77 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 MET CE :methyl -118:sc= -0.629 (180deg=-1.71!) USER MOD Single : A 21 GLN : amide:sc= 0.0551 K(o=0.055,f=-1.5) USER MOD Single : A 30 LYS NZ :NH3+ 172:sc= -0.0011 (180deg=-0.1) USER MOD Single : A 35 LYS NZ :NH3+ -166:sc= -0.0103 (180deg=-0.179) USER MOD Single : A 36 SER OG : rot 71:sc= 1.25 USER MOD Single : A 42 HIS : no HD1:sc= 0.738 K(o=0.74,f=-5.9!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=-0.0069) USER MOD Single : A 54 ASN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 55 GLN : amide:sc= -0.0176 X(o=-0.018,f=-0.023) USER MOD Single : A 60 ASN : amide:sc= 0.412 X(o=0.41,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 12.020 -25.762 -10.236 1.00 0.00 N ATOM 2 CA GLY A 1 10.764 -26.491 -10.000 1.00 0.00 C ATOM 3 C GLY A 1 9.606 -25.807 -10.672 1.00 0.00 C ATOM 4 O GLY A 1 9.816 -24.857 -11.417 1.00 0.00 O ATOM 0 H1 GLY A 1 12.827 -26.376 -10.005 1.00 0.00 H new ATOM 0 H2 GLY A 1 12.075 -25.480 -11.235 1.00 0.00 H new ATOM 0 H3 GLY A 1 12.047 -24.914 -9.635 1.00 0.00 H new ATOM 0 HA2 GLY A 1 10.856 -27.510 -10.375 1.00 0.00 H new ATOM 0 HA3 GLY A 1 10.577 -26.561 -8.929 1.00 0.00 H new ATOM 10 N PRO A 2 8.362 -26.254 -10.438 1.00 0.00 N ATOM 11 CA PRO A 2 7.191 -25.636 -11.053 1.00 0.00 C ATOM 12 C PRO A 2 7.059 -24.187 -10.619 1.00 0.00 C ATOM 13 O PRO A 2 6.883 -23.900 -9.419 1.00 0.00 O ATOM 14 CB PRO A 2 6.018 -26.480 -10.542 1.00 0.00 C ATOM 15 CG PRO A 2 6.537 -27.151 -9.318 1.00 0.00 C ATOM 16 CD PRO A 2 7.999 -27.371 -9.557 1.00 0.00 C ATOM 0 HA PRO A 2 7.243 -25.615 -12.142 1.00 0.00 H new ATOM 0 HB2 PRO A 2 5.152 -25.858 -10.315 1.00 0.00 H new ATOM 0 HB3 PRO A 2 5.700 -27.208 -11.288 1.00 0.00 H new ATOM 0 HG2 PRO A 2 6.375 -26.533 -8.435 1.00 0.00 H new ATOM 0 HG3 PRO A 2 6.023 -28.096 -9.144 1.00 0.00 H new ATOM 0 HD2 PRO A 2 8.567 -27.352 -8.627 1.00 0.00 H new ATOM 0 HD3 PRO A 2 8.190 -28.335 -10.028 1.00 0.00 H new ATOM 24 N LEU A 3 7.125 -23.290 -11.607 1.00 0.00 N ATOM 25 CA LEU A 3 7.225 -21.851 -11.401 1.00 0.00 C ATOM 26 C LEU A 3 8.297 -21.556 -10.350 1.00 0.00 C ATOM 27 O LEU A 3 8.018 -21.441 -9.141 1.00 0.00 O ATOM 28 CB LEU A 3 5.858 -21.224 -11.041 1.00 0.00 C ATOM 29 CG LEU A 3 5.718 -19.689 -11.216 1.00 0.00 C ATOM 30 CD1 LEU A 3 4.256 -19.306 -11.204 1.00 0.00 C ATOM 31 CD2 LEU A 3 6.469 -18.901 -10.141 1.00 0.00 C ATOM 0 H LEU A 3 7.110 -23.555 -12.592 1.00 0.00 H new ATOM 0 HA LEU A 3 7.528 -21.383 -12.337 1.00 0.00 H new ATOM 0 HB2 LEU A 3 5.094 -21.705 -11.651 1.00 0.00 H new ATOM 0 HB3 LEU A 3 5.637 -21.468 -10.002 1.00 0.00 H new ATOM 0 HG LEU A 3 6.168 -19.432 -12.175 1.00 0.00 H new ATOM 0 HD11 LEU A 3 4.161 -18.227 -11.327 1.00 0.00 H new ATOM 0 HD12 LEU A 3 3.741 -19.811 -12.021 1.00 0.00 H new ATOM 0 HD13 LEU A 3 3.810 -19.603 -10.255 1.00 0.00 H new ATOM 0 HD21 LEU A 3 6.336 -17.833 -10.313 1.00 0.00 H new ATOM 0 HD22 LEU A 3 6.077 -19.162 -9.158 1.00 0.00 H new ATOM 0 HD23 LEU A 3 7.530 -19.146 -10.185 1.00 0.00 H new ATOM 43 N GLY A 4 9.517 -21.474 -10.808 1.00 0.00 N ATOM 44 CA GLY A 4 10.620 -21.282 -9.918 1.00 0.00 C ATOM 45 C GLY A 4 11.790 -22.154 -10.278 1.00 0.00 C ATOM 46 O GLY A 4 12.124 -23.096 -9.553 1.00 0.00 O ATOM 0 H GLY A 4 9.768 -21.538 -11.795 1.00 0.00 H new ATOM 0 HA2 GLY A 4 10.926 -20.236 -9.940 1.00 0.00 H new ATOM 0 HA3 GLY A 4 10.305 -21.500 -8.898 1.00 0.00 H new ATOM 50 N SER A 5 12.388 -21.868 -11.410 1.00 0.00 N ATOM 51 CA SER A 5 13.578 -22.553 -11.866 1.00 0.00 C ATOM 52 C SER A 5 14.595 -21.515 -12.302 1.00 0.00 C ATOM 53 O SER A 5 14.215 -20.392 -12.638 1.00 0.00 O ATOM 54 CB SER A 5 13.239 -23.481 -13.030 1.00 0.00 C ATOM 55 OG SER A 5 12.227 -24.407 -12.667 1.00 0.00 O ATOM 0 H SER A 5 12.059 -21.144 -12.049 1.00 0.00 H new ATOM 0 HA SER A 5 13.990 -23.158 -11.058 1.00 0.00 H new ATOM 0 HB2 SER A 5 12.907 -22.891 -13.885 1.00 0.00 H new ATOM 0 HB3 SER A 5 14.134 -24.019 -13.342 1.00 0.00 H new ATOM 0 HG SER A 5 11.393 -24.177 -13.127 1.00 0.00 H new ATOM 61 N LYS A 6 15.866 -21.872 -12.286 1.00 0.00 N ATOM 62 CA LYS A 6 16.902 -20.917 -12.635 1.00 0.00 C ATOM 63 C LYS A 6 16.790 -20.529 -14.117 1.00 0.00 C ATOM 64 O LYS A 6 16.816 -21.394 -14.999 1.00 0.00 O ATOM 65 CB LYS A 6 18.289 -21.497 -12.327 1.00 0.00 C ATOM 66 CG LYS A 6 19.425 -20.487 -12.448 1.00 0.00 C ATOM 67 CD LYS A 6 19.292 -19.392 -11.399 1.00 0.00 C ATOM 68 CE LYS A 6 20.403 -18.363 -11.498 1.00 0.00 C ATOM 69 NZ LYS A 6 20.237 -17.273 -10.505 1.00 0.00 N ATOM 0 H LYS A 6 16.203 -22.802 -12.039 1.00 0.00 H new ATOM 0 HA LYS A 6 16.767 -20.018 -12.034 1.00 0.00 H new ATOM 0 HB2 LYS A 6 18.285 -21.904 -11.316 1.00 0.00 H new ATOM 0 HB3 LYS A 6 18.482 -22.329 -13.005 1.00 0.00 H new ATOM 0 HG2 LYS A 6 20.382 -20.995 -12.330 1.00 0.00 H new ATOM 0 HG3 LYS A 6 19.419 -20.045 -13.444 1.00 0.00 H new ATOM 0 HD2 LYS A 6 18.328 -18.896 -11.515 1.00 0.00 H new ATOM 0 HD3 LYS A 6 19.302 -19.840 -10.405 1.00 0.00 H new ATOM 0 HE2 LYS A 6 21.365 -18.851 -11.344 1.00 0.00 H new ATOM 0 HE3 LYS A 6 20.418 -17.940 -12.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 21.016 -16.591 -10.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 19.330 -16.790 -10.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 20.248 -17.673 -9.545 1.00 0.00 H new ATOM 83 N TYR A 7 16.693 -19.219 -14.370 1.00 0.00 N ATOM 84 CA TYR A 7 16.433 -18.663 -15.710 1.00 0.00 C ATOM 85 C TYR A 7 15.232 -19.326 -16.386 1.00 0.00 C ATOM 86 O TYR A 7 15.386 -20.195 -17.260 1.00 0.00 O ATOM 87 CB TYR A 7 17.675 -18.689 -16.613 1.00 0.00 C ATOM 88 CG TYR A 7 18.775 -17.757 -16.163 1.00 0.00 C ATOM 89 CD1 TYR A 7 18.724 -16.403 -16.466 1.00 0.00 C ATOM 90 CD2 TYR A 7 19.859 -18.225 -15.441 1.00 0.00 C ATOM 91 CE1 TYR A 7 19.718 -15.542 -16.061 1.00 0.00 C ATOM 92 CE2 TYR A 7 20.862 -17.374 -15.029 1.00 0.00 C ATOM 93 CZ TYR A 7 20.783 -16.032 -15.342 1.00 0.00 C ATOM 94 OH TYR A 7 21.775 -15.177 -14.932 1.00 0.00 O ATOM 0 H TYR A 7 16.793 -18.506 -13.647 1.00 0.00 H new ATOM 0 HA TYR A 7 16.180 -17.614 -15.557 1.00 0.00 H new ATOM 0 HB2 TYR A 7 18.065 -19.706 -16.649 1.00 0.00 H new ATOM 0 HB3 TYR A 7 17.380 -18.425 -17.628 1.00 0.00 H new ATOM 0 HD1 TYR A 7 17.888 -16.018 -17.031 1.00 0.00 H new ATOM 0 HD2 TYR A 7 19.920 -19.275 -15.196 1.00 0.00 H new ATOM 0 HE1 TYR A 7 19.662 -14.491 -16.305 1.00 0.00 H new ATOM 0 HE2 TYR A 7 21.702 -17.754 -14.466 1.00 0.00 H new ATOM 0 HH TYR A 7 22.454 -15.679 -14.435 1.00 0.00 H new ATOM 104 N GLU A 8 14.044 -18.915 -15.976 1.00 0.00 N ATOM 105 CA GLU A 8 12.803 -19.526 -16.429 1.00 0.00 C ATOM 106 C GLU A 8 11.818 -18.474 -16.918 1.00 0.00 C ATOM 107 O GLU A 8 11.585 -17.469 -16.244 1.00 0.00 O ATOM 108 CB GLU A 8 12.187 -20.321 -15.272 1.00 0.00 C ATOM 109 CG GLU A 8 10.867 -21.020 -15.574 1.00 0.00 C ATOM 110 CD GLU A 8 10.335 -21.750 -14.364 1.00 0.00 C ATOM 111 OE1 GLU A 8 9.804 -21.088 -13.460 1.00 0.00 O ATOM 112 OE2 GLU A 8 10.472 -22.987 -14.293 1.00 0.00 O ATOM 0 H GLU A 8 13.911 -18.147 -15.318 1.00 0.00 H new ATOM 0 HA GLU A 8 13.023 -20.191 -17.264 1.00 0.00 H new ATOM 0 HB2 GLU A 8 12.908 -21.072 -14.948 1.00 0.00 H new ATOM 0 HB3 GLU A 8 12.033 -19.643 -14.432 1.00 0.00 H new ATOM 0 HG2 GLU A 8 10.134 -20.286 -15.908 1.00 0.00 H new ATOM 0 HG3 GLU A 8 11.007 -21.726 -16.393 1.00 0.00 H new ATOM 119 N CYS A 9 11.263 -18.703 -18.089 1.00 0.00 N ATOM 120 CA CYS A 9 10.201 -17.878 -18.615 1.00 0.00 C ATOM 121 C CYS A 9 8.879 -18.370 -18.034 1.00 0.00 C ATOM 122 O CYS A 9 8.431 -19.471 -18.359 1.00 0.00 O ATOM 123 CB CYS A 9 10.185 -17.976 -20.147 1.00 0.00 C ATOM 124 SG CYS A 9 8.754 -17.208 -21.001 1.00 0.00 S ATOM 0 H CYS A 9 11.538 -19.469 -18.703 1.00 0.00 H new ATOM 0 HA CYS A 9 10.355 -16.835 -18.340 1.00 0.00 H new ATOM 0 HB2 CYS A 9 11.097 -17.516 -20.528 1.00 0.00 H new ATOM 0 HB3 CYS A 9 10.221 -19.030 -20.422 1.00 0.00 H new ATOM 129 N PRO A 10 8.242 -17.570 -17.166 1.00 0.00 N ATOM 130 CA PRO A 10 7.032 -17.983 -16.448 1.00 0.00 C ATOM 131 C PRO A 10 5.819 -18.204 -17.360 1.00 0.00 C ATOM 132 O PRO A 10 4.848 -18.846 -16.962 1.00 0.00 O ATOM 133 CB PRO A 10 6.784 -16.836 -15.466 1.00 0.00 C ATOM 134 CG PRO A 10 7.440 -15.663 -16.094 1.00 0.00 C ATOM 135 CD PRO A 10 8.649 -16.197 -16.809 1.00 0.00 C ATOM 0 HA PRO A 10 7.171 -18.950 -15.965 1.00 0.00 H new ATOM 0 HB2 PRO A 10 5.718 -16.663 -15.318 1.00 0.00 H new ATOM 0 HB3 PRO A 10 7.210 -17.052 -14.487 1.00 0.00 H new ATOM 0 HG2 PRO A 10 6.765 -15.164 -16.789 1.00 0.00 H new ATOM 0 HG3 PRO A 10 7.725 -14.927 -15.342 1.00 0.00 H new ATOM 0 HD2 PRO A 10 8.890 -15.605 -17.692 1.00 0.00 H new ATOM 0 HD3 PRO A 10 9.532 -16.191 -16.170 1.00 0.00 H new ATOM 143 N ILE A 11 5.866 -17.657 -18.567 1.00 0.00 N ATOM 144 CA ILE A 11 4.792 -17.860 -19.522 1.00 0.00 C ATOM 145 C ILE A 11 4.712 -19.329 -19.959 1.00 0.00 C ATOM 146 O ILE A 11 3.634 -19.913 -20.004 1.00 0.00 O ATOM 147 CB ILE A 11 4.928 -16.925 -20.758 1.00 0.00 C ATOM 148 CG1 ILE A 11 4.717 -15.466 -20.333 1.00 0.00 C ATOM 149 CG2 ILE A 11 3.933 -17.307 -21.853 1.00 0.00 C ATOM 150 CD1 ILE A 11 5.009 -14.448 -21.418 1.00 0.00 C ATOM 0 H ILE A 11 6.632 -17.074 -18.904 1.00 0.00 H new ATOM 0 HA ILE A 11 3.862 -17.600 -19.017 1.00 0.00 H new ATOM 0 HB ILE A 11 5.933 -17.040 -21.165 1.00 0.00 H new ATOM 0 HG12 ILE A 11 3.685 -15.342 -20.004 1.00 0.00 H new ATOM 0 HG13 ILE A 11 5.353 -15.255 -19.473 1.00 0.00 H new ATOM 0 HG21 ILE A 11 4.052 -16.636 -22.703 1.00 0.00 H new ATOM 0 HG22 ILE A 11 4.119 -18.333 -22.172 1.00 0.00 H new ATOM 0 HG23 ILE A 11 2.917 -17.225 -21.466 1.00 0.00 H new ATOM 0 HD11 ILE A 11 4.834 -13.444 -21.032 1.00 0.00 H new ATOM 0 HD12 ILE A 11 6.049 -14.540 -21.733 1.00 0.00 H new ATOM 0 HD13 ILE A 11 4.355 -14.628 -22.271 1.00 0.00 H new ATOM 162 N CYS A 12 5.861 -19.926 -20.248 1.00 0.00 N ATOM 163 CA CYS A 12 5.898 -21.306 -20.724 1.00 0.00 C ATOM 164 C CYS A 12 6.314 -22.262 -19.612 1.00 0.00 C ATOM 165 O CYS A 12 6.054 -23.467 -19.681 1.00 0.00 O ATOM 166 CB CYS A 12 6.841 -21.423 -21.926 1.00 0.00 C ATOM 167 SG CYS A 12 8.534 -20.796 -21.638 1.00 0.00 S ATOM 0 H CYS A 12 6.775 -19.481 -20.163 1.00 0.00 H new ATOM 0 HA CYS A 12 4.893 -21.587 -21.040 1.00 0.00 H new ATOM 0 HB2 CYS A 12 6.902 -22.471 -22.221 1.00 0.00 H new ATOM 0 HB3 CYS A 12 6.406 -20.880 -22.765 1.00 0.00 H new ATOM 172 N LEU A 13 6.967 -21.705 -18.596 1.00 0.00 N ATOM 173 CA LEU A 13 7.431 -22.436 -17.411 1.00 0.00 C ATOM 174 C LEU A 13 8.484 -23.485 -17.757 1.00 0.00 C ATOM 175 O LEU A 13 8.721 -24.414 -16.988 1.00 0.00 O ATOM 176 CB LEU A 13 6.251 -23.098 -16.681 1.00 0.00 C ATOM 177 CG LEU A 13 5.235 -22.155 -16.031 1.00 0.00 C ATOM 178 CD1 LEU A 13 4.053 -22.950 -15.511 1.00 0.00 C ATOM 179 CD2 LEU A 13 5.887 -21.379 -14.894 1.00 0.00 C ATOM 0 H LEU A 13 7.195 -20.711 -18.569 1.00 0.00 H new ATOM 0 HA LEU A 13 7.896 -21.704 -16.751 1.00 0.00 H new ATOM 0 HB2 LEU A 13 5.722 -23.732 -17.393 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.652 -23.753 -15.908 1.00 0.00 H new ATOM 0 HG LEU A 13 4.883 -21.445 -16.780 1.00 0.00 H new ATOM 0 HD11 LEU A 13 3.334 -22.273 -15.050 1.00 0.00 H new ATOM 0 HD12 LEU A 13 3.577 -23.477 -16.338 1.00 0.00 H new ATOM 0 HD13 LEU A 13 4.398 -23.672 -14.771 1.00 0.00 H new ATOM 0 HD21 LEU A 13 5.153 -20.712 -14.441 1.00 0.00 H new ATOM 0 HD22 LEU A 13 6.257 -22.077 -14.142 1.00 0.00 H new ATOM 0 HD23 LEU A 13 6.718 -20.792 -15.284 1.00 0.00 H new ATOM 191 N MET A 14 9.139 -23.323 -18.890 1.00 0.00 N ATOM 192 CA MET A 14 10.193 -24.247 -19.288 1.00 0.00 C ATOM 193 C MET A 14 11.559 -23.722 -18.893 1.00 0.00 C ATOM 194 O MET A 14 12.233 -24.282 -18.022 1.00 0.00 O ATOM 195 CB MET A 14 10.146 -24.536 -20.796 1.00 0.00 C ATOM 196 CG MET A 14 8.924 -25.312 -21.240 1.00 0.00 C ATOM 197 SD MET A 14 8.958 -25.718 -22.999 1.00 0.00 S ATOM 198 CE MET A 14 8.834 -24.085 -23.727 1.00 0.00 C ATOM 0 H MET A 14 8.964 -22.566 -19.551 1.00 0.00 H new ATOM 0 HA MET A 14 10.019 -25.184 -18.758 1.00 0.00 H new ATOM 0 HB2 MET A 14 10.179 -23.590 -21.337 1.00 0.00 H new ATOM 0 HB3 MET A 14 11.039 -25.095 -21.076 1.00 0.00 H new ATOM 0 HG2 MET A 14 8.853 -26.232 -20.660 1.00 0.00 H new ATOM 0 HG3 MET A 14 8.029 -24.728 -21.023 1.00 0.00 H new ATOM 0 HE1 MET A 14 7.920 -24.018 -24.317 1.00 0.00 H new ATOM 0 HE2 MET A 14 8.811 -23.335 -22.936 1.00 0.00 H new ATOM 0 HE3 MET A 14 9.695 -23.907 -24.371 1.00 0.00 H new ATOM 208 N ALA A 15 11.951 -22.637 -19.526 1.00 0.00 N ATOM 209 CA ALA A 15 13.240 -21.993 -19.317 1.00 0.00 C ATOM 210 C ALA A 15 13.235 -20.727 -20.135 1.00 0.00 C ATOM 211 O ALA A 15 12.203 -20.380 -20.688 1.00 0.00 O ATOM 212 CB ALA A 15 14.385 -22.909 -19.776 1.00 0.00 C ATOM 0 H ALA A 15 11.371 -22.163 -20.218 1.00 0.00 H new ATOM 0 HA ALA A 15 13.394 -21.780 -18.259 1.00 0.00 H new ATOM 0 HB1 ALA A 15 15.339 -22.409 -19.611 1.00 0.00 H new ATOM 0 HB2 ALA A 15 14.359 -23.838 -19.206 1.00 0.00 H new ATOM 0 HB3 ALA A 15 14.270 -23.131 -20.837 1.00 0.00 H new ATOM 218 N LEU A 16 14.347 -20.036 -20.212 1.00 0.00 N ATOM 219 CA LEU A 16 14.436 -18.904 -21.114 1.00 0.00 C ATOM 220 C LEU A 16 14.977 -19.384 -22.437 1.00 0.00 C ATOM 221 O LEU A 16 16.020 -20.037 -22.490 1.00 0.00 O ATOM 222 CB LEU A 16 15.342 -17.794 -20.557 1.00 0.00 C ATOM 223 CG LEU A 16 14.916 -17.147 -19.240 1.00 0.00 C ATOM 224 CD1 LEU A 16 15.934 -16.100 -18.809 1.00 0.00 C ATOM 225 CD2 LEU A 16 13.545 -16.514 -19.384 1.00 0.00 C ATOM 0 H LEU A 16 15.191 -20.229 -19.673 1.00 0.00 H new ATOM 0 HA LEU A 16 13.439 -18.480 -21.234 1.00 0.00 H new ATOM 0 HB2 LEU A 16 16.342 -18.208 -20.424 1.00 0.00 H new ATOM 0 HB3 LEU A 16 15.419 -17.010 -21.310 1.00 0.00 H new ATOM 0 HG LEU A 16 14.866 -17.921 -18.474 1.00 0.00 H new ATOM 0 HD11 LEU A 16 15.616 -15.648 -17.869 1.00 0.00 H new ATOM 0 HD12 LEU A 16 16.907 -16.573 -18.674 1.00 0.00 H new ATOM 0 HD13 LEU A 16 16.009 -15.328 -19.575 1.00 0.00 H new ATOM 0 HD21 LEU A 16 13.254 -16.057 -18.438 1.00 0.00 H new ATOM 0 HD22 LEU A 16 13.577 -15.751 -20.161 1.00 0.00 H new ATOM 0 HD23 LEU A 16 12.818 -17.279 -19.656 1.00 0.00 H new ATOM 237 N ARG A 17 14.260 -19.102 -23.490 1.00 0.00 N ATOM 238 CA ARG A 17 14.674 -19.497 -24.810 1.00 0.00 C ATOM 239 C ARG A 17 15.739 -18.528 -25.332 1.00 0.00 C ATOM 240 O ARG A 17 16.928 -18.846 -25.339 1.00 0.00 O ATOM 241 CB ARG A 17 13.457 -19.538 -25.735 1.00 0.00 C ATOM 242 CG ARG A 17 13.694 -20.144 -27.103 1.00 0.00 C ATOM 243 CD ARG A 17 13.999 -21.630 -27.020 1.00 0.00 C ATOM 244 NE ARG A 17 14.124 -22.215 -28.350 1.00 0.00 N ATOM 245 CZ ARG A 17 14.287 -23.508 -28.605 1.00 0.00 C ATOM 246 NH1 ARG A 17 14.355 -24.387 -27.614 1.00 0.00 N ATOM 247 NH2 ARG A 17 14.397 -23.918 -29.860 1.00 0.00 N ATOM 0 H ARG A 17 13.376 -18.594 -23.459 1.00 0.00 H new ATOM 0 HA ARG A 17 15.114 -20.494 -24.778 1.00 0.00 H new ATOM 0 HB2 ARG A 17 12.666 -20.101 -25.240 1.00 0.00 H new ATOM 0 HB3 ARG A 17 13.089 -18.520 -25.867 1.00 0.00 H new ATOM 0 HG2 ARG A 17 12.813 -19.989 -27.726 1.00 0.00 H new ATOM 0 HG3 ARG A 17 14.523 -19.630 -27.589 1.00 0.00 H new ATOM 0 HD2 ARG A 17 14.923 -21.784 -26.463 1.00 0.00 H new ATOM 0 HD3 ARG A 17 13.207 -22.137 -26.469 1.00 0.00 H new ATOM 0 HE ARG A 17 14.083 -21.581 -29.148 1.00 0.00 H new ATOM 0 HH11 ARG A 17 14.282 -24.072 -26.647 1.00 0.00 H new ATOM 0 HH12 ARG A 17 14.480 -25.378 -27.819 1.00 0.00 H new ATOM 0 HH21 ARG A 17 14.356 -23.242 -30.623 1.00 0.00 H new ATOM 0 HH22 ARG A 17 14.522 -24.910 -30.063 1.00 0.00 H new ATOM 261 N GLU A 18 15.313 -17.337 -25.732 1.00 0.00 N ATOM 262 CA GLU A 18 16.243 -16.312 -26.199 1.00 0.00 C ATOM 263 C GLU A 18 16.688 -15.424 -25.055 1.00 0.00 C ATOM 264 O GLU A 18 17.692 -14.714 -25.167 1.00 0.00 O ATOM 265 CB GLU A 18 15.607 -15.440 -27.290 1.00 0.00 C ATOM 266 CG GLU A 18 15.191 -16.187 -28.541 1.00 0.00 C ATOM 267 CD GLU A 18 13.818 -16.818 -28.428 1.00 0.00 C ATOM 268 OE1 GLU A 18 13.200 -16.762 -27.328 1.00 0.00 O ATOM 269 OE2 GLU A 18 13.356 -17.390 -29.434 1.00 0.00 O ATOM 0 H GLU A 18 14.333 -17.055 -25.743 1.00 0.00 H new ATOM 0 HA GLU A 18 17.108 -16.829 -26.615 1.00 0.00 H new ATOM 0 HB2 GLU A 18 14.731 -14.943 -26.873 1.00 0.00 H new ATOM 0 HB3 GLU A 18 16.314 -14.659 -27.569 1.00 0.00 H new ATOM 0 HG2 GLU A 18 15.200 -15.500 -29.387 1.00 0.00 H new ATOM 0 HG3 GLU A 18 15.925 -16.964 -28.754 1.00 0.00 H new ATOM 276 N ALA A 19 15.935 -15.481 -23.959 1.00 0.00 N ATOM 277 CA ALA A 19 16.181 -14.690 -22.756 1.00 0.00 C ATOM 278 C ALA A 19 16.174 -13.183 -23.035 1.00 0.00 C ATOM 279 O ALA A 19 17.222 -12.577 -23.272 1.00 0.00 O ATOM 280 CB ALA A 19 17.477 -15.111 -22.068 1.00 0.00 C ATOM 0 H ALA A 19 15.121 -16.090 -23.881 1.00 0.00 H new ATOM 0 HA ALA A 19 15.353 -14.893 -22.077 1.00 0.00 H new ATOM 0 HB1 ALA A 19 17.630 -14.503 -21.177 1.00 0.00 H new ATOM 0 HB2 ALA A 19 17.414 -16.161 -21.784 1.00 0.00 H new ATOM 0 HB3 ALA A 19 18.314 -14.970 -22.752 1.00 0.00 H new ATOM 286 N VAL A 20 14.990 -12.597 -23.031 1.00 0.00 N ATOM 287 CA VAL A 20 14.840 -11.164 -23.220 1.00 0.00 C ATOM 288 C VAL A 20 14.270 -10.516 -21.958 1.00 0.00 C ATOM 289 O VAL A 20 13.180 -10.874 -21.489 1.00 0.00 O ATOM 290 CB VAL A 20 13.981 -10.795 -24.469 1.00 0.00 C ATOM 291 CG1 VAL A 20 14.695 -11.189 -25.759 1.00 0.00 C ATOM 292 CG2 VAL A 20 12.607 -11.444 -24.411 1.00 0.00 C ATOM 0 H VAL A 20 14.111 -13.096 -22.898 1.00 0.00 H new ATOM 0 HA VAL A 20 15.838 -10.768 -23.408 1.00 0.00 H new ATOM 0 HB VAL A 20 13.846 -9.713 -24.461 1.00 0.00 H new ATOM 0 HG11 VAL A 20 14.075 -10.921 -26.614 1.00 0.00 H new ATOM 0 HG12 VAL A 20 15.648 -10.663 -25.823 1.00 0.00 H new ATOM 0 HG13 VAL A 20 14.873 -12.264 -25.763 1.00 0.00 H new ATOM 0 HG21 VAL A 20 12.035 -11.166 -25.296 1.00 0.00 H new ATOM 0 HG22 VAL A 20 12.718 -12.528 -24.376 1.00 0.00 H new ATOM 0 HG23 VAL A 20 12.082 -11.104 -23.518 1.00 0.00 H new ATOM 302 N GLN A 21 15.048 -9.631 -21.370 1.00 0.00 N ATOM 303 CA GLN A 21 14.621 -8.918 -20.184 1.00 0.00 C ATOM 304 C GLN A 21 13.752 -7.708 -20.539 1.00 0.00 C ATOM 305 O GLN A 21 13.939 -7.085 -21.586 1.00 0.00 O ATOM 306 CB GLN A 21 15.826 -8.516 -19.331 1.00 0.00 C ATOM 307 CG GLN A 21 15.466 -7.812 -18.033 1.00 0.00 C ATOM 308 CD GLN A 21 16.667 -7.557 -17.159 1.00 0.00 C ATOM 309 OE1 GLN A 21 17.626 -8.328 -17.165 1.00 0.00 O ATOM 310 NE2 GLN A 21 16.624 -6.485 -16.407 1.00 0.00 N ATOM 0 H GLN A 21 15.983 -9.388 -21.696 1.00 0.00 H new ATOM 0 HA GLN A 21 14.002 -9.592 -19.591 1.00 0.00 H new ATOM 0 HB2 GLN A 21 16.405 -9.409 -19.098 1.00 0.00 H new ATOM 0 HB3 GLN A 21 16.471 -7.862 -19.919 1.00 0.00 H new ATOM 0 HG2 GLN A 21 14.980 -6.864 -18.261 1.00 0.00 H new ATOM 0 HG3 GLN A 21 14.744 -8.417 -17.484 1.00 0.00 H new ATOM 0 HE21 GLN A 21 15.807 -5.875 -16.435 1.00 0.00 H new ATOM 0 HE22 GLN A 21 17.407 -6.261 -15.793 1.00 0.00 H new ATOM 319 N THR A 22 12.797 -7.408 -19.686 1.00 0.00 N ATOM 320 CA THR A 22 11.996 -6.207 -19.801 1.00 0.00 C ATOM 321 C THR A 22 12.656 -5.095 -18.969 1.00 0.00 C ATOM 322 O THR A 22 13.445 -5.395 -18.070 1.00 0.00 O ATOM 323 CB THR A 22 10.567 -6.456 -19.267 1.00 0.00 C ATOM 324 OG1 THR A 22 10.613 -6.754 -17.855 1.00 0.00 O ATOM 325 CG2 THR A 22 9.919 -7.622 -19.992 1.00 0.00 C ATOM 0 H THR A 22 12.552 -7.994 -18.888 1.00 0.00 H new ATOM 0 HA THR A 22 11.933 -5.917 -20.850 1.00 0.00 H new ATOM 0 HB THR A 22 9.980 -5.554 -19.439 1.00 0.00 H new ATOM 0 HG1 THR A 22 10.023 -6.139 -17.371 1.00 0.00 H new ATOM 0 HG21 THR A 22 8.914 -7.780 -19.601 1.00 0.00 H new ATOM 0 HG22 THR A 22 9.863 -7.402 -21.058 1.00 0.00 H new ATOM 0 HG23 THR A 22 10.514 -8.522 -19.838 1.00 0.00 H new ATOM 333 N PRO A 23 12.348 -3.806 -19.250 1.00 0.00 N ATOM 334 CA PRO A 23 12.914 -2.666 -18.497 1.00 0.00 C ATOM 335 C PRO A 23 12.636 -2.766 -16.994 1.00 0.00 C ATOM 336 O PRO A 23 13.489 -2.425 -16.169 1.00 0.00 O ATOM 337 CB PRO A 23 12.168 -1.460 -19.074 1.00 0.00 C ATOM 338 CG PRO A 23 11.770 -1.888 -20.436 1.00 0.00 C ATOM 339 CD PRO A 23 11.439 -3.347 -20.321 1.00 0.00 C ATOM 0 HA PRO A 23 13.998 -2.616 -18.595 1.00 0.00 H new ATOM 0 HB2 PRO A 23 11.299 -1.204 -18.468 1.00 0.00 H new ATOM 0 HB3 PRO A 23 12.806 -0.577 -19.106 1.00 0.00 H new ATOM 0 HG2 PRO A 23 10.911 -1.318 -20.790 1.00 0.00 H new ATOM 0 HG3 PRO A 23 12.577 -1.724 -21.150 1.00 0.00 H new ATOM 0 HD2 PRO A 23 10.393 -3.505 -20.059 1.00 0.00 H new ATOM 0 HD3 PRO A 23 11.617 -3.877 -21.257 1.00 0.00 H new ATOM 347 N CYS A 24 11.438 -3.234 -16.646 1.00 0.00 N ATOM 348 CA CYS A 24 11.048 -3.379 -15.259 1.00 0.00 C ATOM 349 C CYS A 24 11.862 -4.471 -14.552 1.00 0.00 C ATOM 350 O CYS A 24 12.225 -4.330 -13.383 1.00 0.00 O ATOM 351 CB CYS A 24 9.544 -3.627 -15.153 1.00 0.00 C ATOM 352 SG CYS A 24 8.863 -4.689 -16.471 1.00 0.00 S ATOM 0 H CYS A 24 10.723 -3.518 -17.315 1.00 0.00 H new ATOM 0 HA CYS A 24 11.271 -2.445 -14.743 1.00 0.00 H new ATOM 0 HB2 CYS A 24 9.330 -4.085 -14.187 1.00 0.00 H new ATOM 0 HB3 CYS A 24 9.027 -2.668 -15.172 1.00 0.00 H new ATOM 357 N GLY A 25 12.168 -5.543 -15.273 1.00 0.00 N ATOM 358 CA GLY A 25 13.015 -6.571 -14.700 1.00 0.00 C ATOM 359 C GLY A 25 12.402 -7.960 -14.730 1.00 0.00 C ATOM 360 O GLY A 25 12.392 -8.658 -13.716 1.00 0.00 O ATOM 0 H GLY A 25 11.852 -5.717 -16.227 1.00 0.00 H new ATOM 0 HA2 GLY A 25 13.962 -6.591 -15.240 1.00 0.00 H new ATOM 0 HA3 GLY A 25 13.242 -6.307 -13.667 1.00 0.00 H new ATOM 364 N HIS A 26 11.884 -8.366 -15.873 1.00 0.00 N ATOM 365 CA HIS A 26 11.399 -9.735 -16.046 1.00 0.00 C ATOM 366 C HIS A 26 12.101 -10.332 -17.232 1.00 0.00 C ATOM 367 O HIS A 26 12.390 -9.624 -18.188 1.00 0.00 O ATOM 368 CB HIS A 26 9.895 -9.789 -16.337 1.00 0.00 C ATOM 369 CG HIS A 26 9.041 -8.900 -15.513 1.00 0.00 C ATOM 370 ND1 HIS A 26 8.889 -9.024 -14.153 1.00 0.00 N ATOM 371 CD2 HIS A 26 8.280 -7.859 -15.884 1.00 0.00 C ATOM 372 CE1 HIS A 26 8.063 -8.088 -13.723 1.00 0.00 C ATOM 373 NE2 HIS A 26 7.685 -7.363 -14.761 1.00 0.00 N ATOM 0 H HIS A 26 11.785 -7.774 -16.698 1.00 0.00 H new ATOM 0 HA HIS A 26 11.595 -10.276 -15.120 1.00 0.00 H new ATOM 0 HB2 HIS A 26 9.739 -9.539 -17.386 1.00 0.00 H new ATOM 0 HB3 HIS A 26 9.555 -10.816 -16.200 1.00 0.00 H new ATOM 0 HD1 HIS A 26 9.342 -9.727 -13.569 1.00 0.00 H new ATOM 0 HD2 HIS A 26 8.160 -7.482 -16.889 1.00 0.00 H new ATOM 0 HE1 HIS A 26 7.750 -7.940 -12.700 1.00 0.00 H new ATOM 380 N ARG A 27 12.390 -11.602 -17.184 1.00 0.00 N ATOM 381 CA ARG A 27 12.984 -12.267 -18.316 1.00 0.00 C ATOM 382 C ARG A 27 12.059 -13.303 -18.909 1.00 0.00 C ATOM 383 O ARG A 27 11.463 -14.107 -18.196 1.00 0.00 O ATOM 384 CB ARG A 27 14.369 -12.817 -17.973 1.00 0.00 C ATOM 385 CG ARG A 27 15.414 -11.715 -17.834 1.00 0.00 C ATOM 386 CD ARG A 27 16.761 -12.236 -17.391 1.00 0.00 C ATOM 387 NE ARG A 27 16.712 -12.713 -16.016 1.00 0.00 N ATOM 388 CZ ARG A 27 16.914 -11.940 -14.945 1.00 0.00 C ATOM 389 NH1 ARG A 27 17.293 -10.663 -15.088 1.00 0.00 N ATOM 390 NH2 ARG A 27 16.762 -12.441 -13.741 1.00 0.00 N ATOM 0 H ARG A 27 12.225 -12.200 -16.374 1.00 0.00 H new ATOM 0 HA ARG A 27 13.135 -11.525 -19.100 1.00 0.00 H new ATOM 0 HB2 ARG A 27 14.313 -13.380 -17.042 1.00 0.00 H new ATOM 0 HB3 ARG A 27 14.682 -13.515 -18.749 1.00 0.00 H new ATOM 0 HG2 ARG A 27 15.524 -11.203 -18.790 1.00 0.00 H new ATOM 0 HG3 ARG A 27 15.062 -10.975 -17.115 1.00 0.00 H new ATOM 0 HD2 ARG A 27 17.076 -13.046 -18.049 1.00 0.00 H new ATOM 0 HD3 ARG A 27 17.507 -11.446 -17.479 1.00 0.00 H new ATOM 0 HE ARG A 27 16.511 -13.701 -15.860 1.00 0.00 H new ATOM 0 HH11 ARG A 27 17.430 -10.273 -16.021 1.00 0.00 H new ATOM 0 HH12 ARG A 27 17.445 -10.081 -14.264 1.00 0.00 H new ATOM 0 HH21 ARG A 27 16.491 -13.417 -13.625 1.00 0.00 H new ATOM 0 HH22 ARG A 27 16.915 -11.854 -12.921 1.00 0.00 H new ATOM 404 N PHE A 28 11.931 -13.256 -20.219 1.00 0.00 N ATOM 405 CA PHE A 28 11.037 -14.128 -20.964 1.00 0.00 C ATOM 406 C PHE A 28 11.729 -14.634 -22.200 1.00 0.00 C ATOM 407 O PHE A 28 12.835 -14.195 -22.530 1.00 0.00 O ATOM 408 CB PHE A 28 9.778 -13.379 -21.418 1.00 0.00 C ATOM 409 CG PHE A 28 8.922 -12.827 -20.319 1.00 0.00 C ATOM 410 CD1 PHE A 28 8.017 -13.634 -19.668 1.00 0.00 C ATOM 411 CD2 PHE A 28 9.014 -11.498 -19.948 1.00 0.00 C ATOM 412 CE1 PHE A 28 7.214 -13.131 -18.667 1.00 0.00 C ATOM 413 CE2 PHE A 28 8.210 -10.988 -18.949 1.00 0.00 C ATOM 414 CZ PHE A 28 7.310 -11.809 -18.304 1.00 0.00 C ATOM 0 H PHE A 28 12.450 -12.604 -20.807 1.00 0.00 H new ATOM 0 HA PHE A 28 10.760 -14.949 -20.303 1.00 0.00 H new ATOM 0 HB2 PHE A 28 10.080 -12.557 -22.067 1.00 0.00 H new ATOM 0 HB3 PHE A 28 9.172 -14.055 -22.021 1.00 0.00 H new ATOM 0 HD1 PHE A 28 7.935 -14.675 -19.945 1.00 0.00 H new ATOM 0 HD2 PHE A 28 9.723 -10.852 -20.445 1.00 0.00 H new ATOM 0 HE1 PHE A 28 6.508 -13.777 -18.167 1.00 0.00 H new ATOM 0 HE2 PHE A 28 8.286 -9.947 -18.673 1.00 0.00 H new ATOM 0 HZ PHE A 28 6.683 -11.415 -17.517 1.00 0.00 H new ATOM 424 N CYS A 29 11.099 -15.561 -22.873 1.00 0.00 N ATOM 425 CA CYS A 29 11.532 -15.948 -24.189 1.00 0.00 C ATOM 426 C CYS A 29 11.019 -14.911 -25.173 1.00 0.00 C ATOM 427 O CYS A 29 9.948 -14.318 -24.962 1.00 0.00 O ATOM 428 CB CYS A 29 10.945 -17.295 -24.553 1.00 0.00 C ATOM 429 SG CYS A 29 11.224 -18.599 -23.315 1.00 0.00 S ATOM 0 H CYS A 29 10.281 -16.064 -22.529 1.00 0.00 H new ATOM 0 HA CYS A 29 12.620 -16.014 -24.217 1.00 0.00 H new ATOM 0 HB2 CYS A 29 9.872 -17.180 -24.706 1.00 0.00 H new ATOM 0 HB3 CYS A 29 11.370 -17.617 -25.504 1.00 0.00 H new ATOM 434 N LYS A 30 11.738 -14.722 -26.252 1.00 0.00 N ATOM 435 CA LYS A 30 11.416 -13.675 -27.217 1.00 0.00 C ATOM 436 C LYS A 30 10.163 -14.041 -28.028 1.00 0.00 C ATOM 437 O LYS A 30 9.603 -13.219 -28.739 1.00 0.00 O ATOM 438 CB LYS A 30 12.614 -13.417 -28.143 1.00 0.00 C ATOM 439 CG LYS A 30 12.421 -12.267 -29.116 1.00 0.00 C ATOM 440 CD LYS A 30 13.644 -12.073 -29.989 1.00 0.00 C ATOM 441 CE LYS A 30 13.452 -10.946 -30.989 1.00 0.00 C ATOM 442 NZ LYS A 30 13.284 -9.630 -30.327 1.00 0.00 N ATOM 0 H LYS A 30 12.558 -15.279 -26.494 1.00 0.00 H new ATOM 0 HA LYS A 30 11.200 -12.757 -26.670 1.00 0.00 H new ATOM 0 HB2 LYS A 30 13.493 -13.215 -27.531 1.00 0.00 H new ATOM 0 HB3 LYS A 30 12.821 -14.325 -28.709 1.00 0.00 H new ATOM 0 HG2 LYS A 30 11.551 -12.461 -29.743 1.00 0.00 H new ATOM 0 HG3 LYS A 30 12.217 -11.350 -28.563 1.00 0.00 H new ATOM 0 HD2 LYS A 30 14.508 -11.858 -29.361 1.00 0.00 H new ATOM 0 HD3 LYS A 30 13.860 -12.999 -30.522 1.00 0.00 H new ATOM 0 HE2 LYS A 30 14.311 -10.907 -31.658 1.00 0.00 H new ATOM 0 HE3 LYS A 30 12.577 -11.155 -31.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 13.292 -8.877 -31.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 12.378 -9.612 -29.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 14.064 -9.477 -29.656 1.00 0.00 H new ATOM 456 N ALA A 31 9.705 -15.261 -27.880 1.00 0.00 N ATOM 457 CA ALA A 31 8.560 -15.708 -28.643 1.00 0.00 C ATOM 458 C ALA A 31 7.366 -15.974 -27.731 1.00 0.00 C ATOM 459 O ALA A 31 6.231 -16.072 -28.202 1.00 0.00 O ATOM 460 CB ALA A 31 8.917 -16.961 -29.430 1.00 0.00 C ATOM 0 H ALA A 31 10.100 -15.956 -27.247 1.00 0.00 H new ATOM 0 HA ALA A 31 8.281 -14.918 -29.340 1.00 0.00 H new ATOM 0 HB1 ALA A 31 8.050 -17.291 -30.002 1.00 0.00 H new ATOM 0 HB2 ALA A 31 9.739 -16.741 -30.112 1.00 0.00 H new ATOM 0 HB3 ALA A 31 9.219 -17.750 -28.741 1.00 0.00 H new ATOM 466 N CYS A 32 7.611 -16.066 -26.431 1.00 0.00 N ATOM 467 CA CYS A 32 6.523 -16.228 -25.486 1.00 0.00 C ATOM 468 C CYS A 32 5.934 -14.879 -25.121 1.00 0.00 C ATOM 469 O CYS A 32 4.719 -14.702 -25.133 1.00 0.00 O ATOM 470 CB CYS A 32 7.008 -16.942 -24.224 1.00 0.00 C ATOM 471 SG CYS A 32 7.851 -18.524 -24.536 1.00 0.00 S ATOM 0 H CYS A 32 8.541 -16.032 -26.014 1.00 0.00 H new ATOM 0 HA CYS A 32 5.751 -16.836 -25.957 1.00 0.00 H new ATOM 0 HB2 CYS A 32 7.688 -16.282 -23.685 1.00 0.00 H new ATOM 0 HB3 CYS A 32 6.154 -17.121 -23.571 1.00 0.00 H new ATOM 476 N ILE A 33 6.798 -13.916 -24.817 1.00 0.00 N ATOM 477 CA ILE A 33 6.319 -12.610 -24.388 1.00 0.00 C ATOM 478 C ILE A 33 5.627 -11.850 -25.528 1.00 0.00 C ATOM 479 O ILE A 33 4.553 -11.283 -25.343 1.00 0.00 O ATOM 480 CB ILE A 33 7.429 -11.745 -23.715 1.00 0.00 C ATOM 481 CG1 ILE A 33 6.836 -10.476 -23.088 1.00 0.00 C ATOM 482 CG2 ILE A 33 8.538 -11.385 -24.694 1.00 0.00 C ATOM 483 CD1 ILE A 33 5.822 -10.732 -21.991 1.00 0.00 C ATOM 0 H ILE A 33 7.813 -14.012 -24.859 1.00 0.00 H new ATOM 0 HA ILE A 33 5.571 -12.803 -23.619 1.00 0.00 H new ATOM 0 HB ILE A 33 7.869 -12.351 -22.923 1.00 0.00 H new ATOM 0 HG12 ILE A 33 7.648 -9.873 -22.681 1.00 0.00 H new ATOM 0 HG13 ILE A 33 6.363 -9.885 -23.872 1.00 0.00 H new ATOM 0 HG21 ILE A 33 9.291 -10.782 -24.186 1.00 0.00 H new ATOM 0 HG22 ILE A 33 8.999 -12.297 -25.073 1.00 0.00 H new ATOM 0 HG23 ILE A 33 8.120 -10.817 -25.525 1.00 0.00 H new ATOM 0 HD11 ILE A 33 5.455 -9.781 -21.605 1.00 0.00 H new ATOM 0 HD12 ILE A 33 4.987 -11.306 -22.394 1.00 0.00 H new ATOM 0 HD13 ILE A 33 6.293 -11.294 -21.184 1.00 0.00 H new ATOM 495 N ILE A 34 6.213 -11.912 -26.718 1.00 0.00 N ATOM 496 CA ILE A 34 5.666 -11.221 -27.880 1.00 0.00 C ATOM 497 C ILE A 34 4.286 -11.755 -28.254 1.00 0.00 C ATOM 498 O ILE A 34 3.363 -10.988 -28.512 1.00 0.00 O ATOM 499 CB ILE A 34 6.629 -11.213 -29.093 1.00 0.00 C ATOM 500 CG1 ILE A 34 7.853 -10.347 -28.768 1.00 0.00 C ATOM 501 CG2 ILE A 34 5.926 -10.698 -30.352 1.00 0.00 C ATOM 502 CD1 ILE A 34 8.943 -10.387 -29.820 1.00 0.00 C ATOM 0 H ILE A 34 7.069 -12.435 -26.904 1.00 0.00 H new ATOM 0 HA ILE A 34 5.548 -10.178 -27.585 1.00 0.00 H new ATOM 0 HB ILE A 34 6.952 -12.235 -29.290 1.00 0.00 H new ATOM 0 HG12 ILE A 34 7.529 -9.315 -28.637 1.00 0.00 H new ATOM 0 HG13 ILE A 34 8.271 -10.673 -27.816 1.00 0.00 H new ATOM 0 HG21 ILE A 34 6.626 -10.703 -31.188 1.00 0.00 H new ATOM 0 HG22 ILE A 34 5.078 -11.342 -30.585 1.00 0.00 H new ATOM 0 HG23 ILE A 34 5.573 -9.681 -30.181 1.00 0.00 H new ATOM 0 HD11 ILE A 34 9.770 -9.748 -29.511 1.00 0.00 H new ATOM 0 HD12 ILE A 34 9.299 -11.411 -29.936 1.00 0.00 H new ATOM 0 HD13 ILE A 34 8.545 -10.031 -30.770 1.00 0.00 H new ATOM 514 N LYS A 35 4.133 -13.070 -28.213 1.00 0.00 N ATOM 515 CA LYS A 35 2.893 -13.711 -28.638 1.00 0.00 C ATOM 516 C LYS A 35 1.822 -13.560 -27.543 1.00 0.00 C ATOM 517 O LYS A 35 0.671 -13.947 -27.717 1.00 0.00 O ATOM 518 CB LYS A 35 3.169 -15.196 -28.941 1.00 0.00 C ATOM 519 CG LYS A 35 1.981 -15.996 -29.476 1.00 0.00 C ATOM 520 CD LYS A 35 1.523 -15.468 -30.831 1.00 0.00 C ATOM 521 CE LYS A 35 0.521 -16.403 -31.504 1.00 0.00 C ATOM 522 NZ LYS A 35 1.137 -17.692 -31.907 1.00 0.00 N ATOM 0 H LYS A 35 4.852 -13.717 -27.889 1.00 0.00 H new ATOM 0 HA LYS A 35 2.519 -13.232 -29.543 1.00 0.00 H new ATOM 0 HB2 LYS A 35 3.980 -15.255 -29.667 1.00 0.00 H new ATOM 0 HB3 LYS A 35 3.524 -15.674 -28.028 1.00 0.00 H new ATOM 0 HG2 LYS A 35 2.259 -17.046 -29.567 1.00 0.00 H new ATOM 0 HG3 LYS A 35 1.156 -15.945 -28.766 1.00 0.00 H new ATOM 0 HD2 LYS A 35 1.070 -14.485 -30.702 1.00 0.00 H new ATOM 0 HD3 LYS A 35 2.389 -15.338 -31.480 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -0.307 -16.596 -30.822 1.00 0.00 H new ATOM 0 HE3 LYS A 35 0.103 -15.912 -32.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 0.500 -18.192 -32.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 2.045 -17.510 -32.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 1.298 -18.279 -31.063 1.00 0.00 H new ATOM 536 N SER A 36 2.206 -12.938 -26.436 1.00 0.00 N ATOM 537 CA SER A 36 1.274 -12.669 -25.360 1.00 0.00 C ATOM 538 C SER A 36 0.890 -11.181 -25.350 1.00 0.00 C ATOM 539 O SER A 36 -0.201 -10.812 -24.903 1.00 0.00 O ATOM 540 CB SER A 36 1.908 -13.048 -24.021 1.00 0.00 C ATOM 541 OG SER A 36 2.302 -14.410 -24.017 1.00 0.00 O ATOM 0 H SER A 36 3.157 -12.612 -26.264 1.00 0.00 H new ATOM 0 HA SER A 36 0.374 -13.264 -25.515 1.00 0.00 H new ATOM 0 HB2 SER A 36 2.774 -12.414 -23.831 1.00 0.00 H new ATOM 0 HB3 SER A 36 1.198 -12.868 -23.214 1.00 0.00 H new ATOM 0 HG SER A 36 3.077 -14.528 -24.605 1.00 0.00 H new ATOM 547 N ILE A 37 1.754 -10.335 -25.913 1.00 0.00 N ATOM 548 CA ILE A 37 1.533 -8.888 -25.869 1.00 0.00 C ATOM 549 C ILE A 37 1.027 -8.345 -27.198 1.00 0.00 C ATOM 550 O ILE A 37 0.649 -7.177 -27.300 1.00 0.00 O ATOM 551 CB ILE A 37 2.807 -8.106 -25.447 1.00 0.00 C ATOM 552 CG1 ILE A 37 3.953 -8.358 -26.435 1.00 0.00 C ATOM 553 CG2 ILE A 37 3.215 -8.467 -24.027 1.00 0.00 C ATOM 554 CD1 ILE A 37 5.192 -7.523 -26.177 1.00 0.00 C ATOM 0 H ILE A 37 2.604 -10.621 -26.399 1.00 0.00 H new ATOM 0 HA ILE A 37 0.766 -8.734 -25.110 1.00 0.00 H new ATOM 0 HB ILE A 37 2.577 -7.041 -25.468 1.00 0.00 H new ATOM 0 HG12 ILE A 37 4.225 -9.413 -26.397 1.00 0.00 H new ATOM 0 HG13 ILE A 37 3.597 -8.157 -27.445 1.00 0.00 H new ATOM 0 HG21 ILE A 37 4.109 -7.908 -23.752 1.00 0.00 H new ATOM 0 HG22 ILE A 37 2.406 -8.217 -23.341 1.00 0.00 H new ATOM 0 HG23 ILE A 37 3.423 -9.535 -23.969 1.00 0.00 H new ATOM 0 HD11 ILE A 37 5.953 -7.762 -26.920 1.00 0.00 H new ATOM 0 HD12 ILE A 37 4.939 -6.465 -26.245 1.00 0.00 H new ATOM 0 HD13 ILE A 37 5.576 -7.740 -25.180 1.00 0.00 H new ATOM 566 N ARG A 38 1.006 -9.194 -28.210 1.00 0.00 N ATOM 567 CA ARG A 38 0.475 -8.806 -29.504 1.00 0.00 C ATOM 568 C ARG A 38 -0.965 -9.280 -29.655 1.00 0.00 C ATOM 569 O ARG A 38 -1.594 -9.051 -30.685 1.00 0.00 O ATOM 570 CB ARG A 38 1.330 -9.370 -30.654 1.00 0.00 C ATOM 571 CG ARG A 38 1.316 -10.890 -30.771 1.00 0.00 C ATOM 572 CD ARG A 38 2.116 -11.356 -31.974 1.00 0.00 C ATOM 573 NE ARG A 38 1.493 -10.931 -33.222 1.00 0.00 N ATOM 574 CZ ARG A 38 1.947 -11.196 -34.446 1.00 0.00 C ATOM 575 NH1 ARG A 38 3.051 -11.920 -34.617 1.00 0.00 N ATOM 576 NH2 ARG A 38 1.284 -10.742 -35.500 1.00 0.00 N ATOM 0 H ARG A 38 1.349 -10.153 -28.161 1.00 0.00 H new ATOM 0 HA ARG A 38 0.503 -7.718 -29.557 1.00 0.00 H new ATOM 0 HB2 ARG A 38 0.978 -8.943 -31.593 1.00 0.00 H new ATOM 0 HB3 ARG A 38 2.360 -9.039 -30.519 1.00 0.00 H new ATOM 0 HG2 ARG A 38 1.729 -11.331 -29.864 1.00 0.00 H new ATOM 0 HG3 ARG A 38 0.288 -11.241 -30.857 1.00 0.00 H new ATOM 0 HD2 ARG A 38 3.129 -10.957 -31.916 1.00 0.00 H new ATOM 0 HD3 ARG A 38 2.200 -12.443 -31.959 1.00 0.00 H new ATOM 0 HE ARG A 38 0.635 -10.383 -33.152 1.00 0.00 H new ATOM 0 HH11 ARG A 38 3.557 -12.277 -33.807 1.00 0.00 H new ATOM 0 HH12 ARG A 38 3.391 -12.118 -35.558 1.00 0.00 H new ATOM 0 HH21 ARG A 38 0.433 -10.194 -35.370 1.00 0.00 H new ATOM 0 HH22 ARG A 38 1.624 -10.940 -36.441 1.00 0.00 H new ATOM 590 N ASP A 39 -1.485 -9.941 -28.629 1.00 0.00 N ATOM 591 CA ASP A 39 -2.821 -10.532 -28.730 1.00 0.00 C ATOM 592 C ASP A 39 -3.642 -10.362 -27.457 1.00 0.00 C ATOM 593 O ASP A 39 -4.738 -9.792 -27.488 1.00 0.00 O ATOM 594 CB ASP A 39 -2.704 -12.020 -29.086 1.00 0.00 C ATOM 595 CG ASP A 39 -4.051 -12.707 -29.186 1.00 0.00 C ATOM 596 OD1 ASP A 39 -4.840 -12.359 -30.093 1.00 0.00 O ATOM 597 OD2 ASP A 39 -4.317 -13.620 -28.380 1.00 0.00 O ATOM 0 H ASP A 39 -1.017 -10.082 -27.734 1.00 0.00 H new ATOM 0 HA ASP A 39 -3.350 -9.998 -29.520 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -2.178 -12.122 -30.035 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -2.100 -12.523 -28.331 1.00 0.00 H new ATOM 602 N ALA A 40 -3.110 -10.832 -26.342 1.00 0.00 N ATOM 603 CA ALA A 40 -3.825 -10.795 -25.078 1.00 0.00 C ATOM 604 C ALA A 40 -3.767 -9.407 -24.455 1.00 0.00 C ATOM 605 O ALA A 40 -4.785 -8.720 -24.324 1.00 0.00 O ATOM 606 CB ALA A 40 -3.276 -11.847 -24.121 1.00 0.00 C ATOM 0 H ALA A 40 -2.180 -11.246 -26.287 1.00 0.00 H new ATOM 0 HA ALA A 40 -4.872 -11.026 -25.274 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -3.824 -11.804 -23.180 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -3.391 -12.837 -24.563 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -2.220 -11.654 -23.935 1.00 0.00 H new ATOM 612 N GLY A 41 -2.580 -8.998 -24.075 1.00 0.00 N ATOM 613 CA GLY A 41 -2.400 -7.710 -23.470 1.00 0.00 C ATOM 614 C GLY A 41 -1.012 -7.211 -23.683 1.00 0.00 C ATOM 615 O GLY A 41 -0.060 -7.963 -23.532 1.00 0.00 O ATOM 0 H GLY A 41 -1.725 -9.544 -24.177 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -3.114 -7.003 -23.892 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -2.608 -7.773 -22.402 1.00 0.00 H new ATOM 619 N HIS A 42 -0.883 -5.949 -24.022 1.00 0.00 N ATOM 620 CA HIS A 42 0.408 -5.361 -24.348 1.00 0.00 C ATOM 621 C HIS A 42 1.126 -4.951 -23.056 1.00 0.00 C ATOM 622 O HIS A 42 1.575 -3.809 -22.900 1.00 0.00 O ATOM 623 CB HIS A 42 0.198 -4.162 -25.273 1.00 0.00 C ATOM 624 CG HIS A 42 1.420 -3.728 -26.020 1.00 0.00 C ATOM 625 ND1 HIS A 42 1.844 -2.421 -26.074 1.00 0.00 N ATOM 626 CD2 HIS A 42 2.285 -4.431 -26.785 1.00 0.00 C ATOM 627 CE1 HIS A 42 2.912 -2.334 -26.837 1.00 0.00 C ATOM 628 NE2 HIS A 42 3.199 -3.541 -27.281 1.00 0.00 N ATOM 0 H HIS A 42 -1.665 -5.297 -24.081 1.00 0.00 H new ATOM 0 HA HIS A 42 1.033 -6.088 -24.866 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -0.583 -4.408 -25.992 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -0.167 -3.323 -24.681 1.00 0.00 H new ATOM 0 HD2 HIS A 42 2.260 -5.495 -26.970 1.00 0.00 H new ATOM 0 HE1 HIS A 42 3.459 -1.430 -27.061 1.00 0.00 H new ATOM 0 HE2 HIS A 42 3.978 -3.775 -27.896 1.00 0.00 H new ATOM 637 N LYS A 43 1.232 -5.899 -22.148 1.00 0.00 N ATOM 638 CA LYS A 43 1.772 -5.676 -20.825 1.00 0.00 C ATOM 639 C LYS A 43 2.490 -6.932 -20.358 1.00 0.00 C ATOM 640 O LYS A 43 2.198 -8.028 -20.838 1.00 0.00 O ATOM 641 CB LYS A 43 0.621 -5.363 -19.851 1.00 0.00 C ATOM 642 CG LYS A 43 -0.328 -6.541 -19.618 1.00 0.00 C ATOM 643 CD LYS A 43 -1.433 -6.207 -18.632 1.00 0.00 C ATOM 644 CE LYS A 43 -2.394 -5.190 -19.217 1.00 0.00 C ATOM 645 NZ LYS A 43 -3.539 -4.906 -18.322 1.00 0.00 N ATOM 0 H LYS A 43 0.940 -6.862 -22.313 1.00 0.00 H new ATOM 0 HA LYS A 43 2.470 -4.839 -20.852 1.00 0.00 H new ATOM 0 HB2 LYS A 43 1.041 -5.052 -18.894 1.00 0.00 H new ATOM 0 HB3 LYS A 43 0.050 -4.519 -20.237 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -0.771 -6.841 -20.568 1.00 0.00 H new ATOM 0 HG3 LYS A 43 0.240 -7.394 -19.248 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -1.975 -7.115 -18.367 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -0.999 -5.815 -17.712 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -1.857 -4.263 -19.419 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -2.767 -5.557 -20.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -4.164 -4.206 -18.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -4.070 -5.783 -18.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -3.188 -4.530 -17.418 1.00 0.00 H new ATOM 659 N CYS A 44 3.422 -6.781 -19.442 1.00 0.00 N ATOM 660 CA CYS A 44 4.009 -7.924 -18.806 1.00 0.00 C ATOM 661 C CYS A 44 3.114 -8.351 -17.646 1.00 0.00 C ATOM 662 O CYS A 44 2.828 -7.562 -16.743 1.00 0.00 O ATOM 663 CB CYS A 44 5.454 -7.633 -18.351 1.00 0.00 C ATOM 664 SG CYS A 44 5.713 -5.990 -17.606 1.00 0.00 S ATOM 0 H CYS A 44 3.783 -5.880 -19.127 1.00 0.00 H new ATOM 0 HA CYS A 44 4.078 -8.746 -19.518 1.00 0.00 H new ATOM 0 HB2 CYS A 44 5.751 -8.393 -17.629 1.00 0.00 H new ATOM 0 HB3 CYS A 44 6.117 -7.734 -19.211 1.00 0.00 H new ATOM 669 N PRO A 45 2.662 -9.608 -17.652 1.00 0.00 N ATOM 670 CA PRO A 45 1.639 -10.094 -16.716 1.00 0.00 C ATOM 671 C PRO A 45 2.063 -10.067 -15.244 1.00 0.00 C ATOM 672 O PRO A 45 1.220 -10.014 -14.353 1.00 0.00 O ATOM 673 CB PRO A 45 1.385 -11.534 -17.184 1.00 0.00 C ATOM 674 CG PRO A 45 2.629 -11.922 -17.914 1.00 0.00 C ATOM 675 CD PRO A 45 3.108 -10.667 -18.583 1.00 0.00 C ATOM 0 HA PRO A 45 0.759 -9.451 -16.737 1.00 0.00 H new ATOM 0 HB2 PRO A 45 1.198 -12.197 -16.340 1.00 0.00 H new ATOM 0 HB3 PRO A 45 0.511 -11.591 -17.833 1.00 0.00 H new ATOM 0 HG2 PRO A 45 3.381 -12.313 -17.228 1.00 0.00 H new ATOM 0 HG3 PRO A 45 2.427 -12.704 -18.646 1.00 0.00 H new ATOM 0 HD2 PRO A 45 4.191 -10.664 -18.710 1.00 0.00 H new ATOM 0 HD3 PRO A 45 2.671 -10.545 -19.574 1.00 0.00 H new ATOM 683 N VAL A 46 3.362 -10.105 -14.998 1.00 0.00 N ATOM 684 CA VAL A 46 3.883 -10.194 -13.634 1.00 0.00 C ATOM 685 C VAL A 46 3.565 -8.931 -12.795 1.00 0.00 C ATOM 686 O VAL A 46 3.088 -9.031 -11.666 1.00 0.00 O ATOM 687 CB VAL A 46 5.415 -10.443 -13.626 1.00 0.00 C ATOM 688 CG1 VAL A 46 5.952 -10.523 -12.202 1.00 0.00 C ATOM 689 CG2 VAL A 46 5.760 -11.707 -14.400 1.00 0.00 C ATOM 0 H VAL A 46 4.080 -10.076 -15.722 1.00 0.00 H new ATOM 0 HA VAL A 46 3.377 -11.044 -13.176 1.00 0.00 H new ATOM 0 HB VAL A 46 5.893 -9.596 -14.119 1.00 0.00 H new ATOM 0 HG11 VAL A 46 7.028 -10.698 -12.228 1.00 0.00 H new ATOM 0 HG12 VAL A 46 5.749 -9.586 -11.684 1.00 0.00 H new ATOM 0 HG13 VAL A 46 5.464 -11.342 -11.675 1.00 0.00 H new ATOM 0 HG21 VAL A 46 6.839 -11.862 -14.381 1.00 0.00 H new ATOM 0 HG22 VAL A 46 5.263 -12.562 -13.941 1.00 0.00 H new ATOM 0 HG23 VAL A 46 5.426 -11.604 -15.432 1.00 0.00 H new ATOM 699 N ASP A 47 3.833 -7.754 -13.342 1.00 0.00 N ATOM 700 CA ASP A 47 3.603 -6.503 -12.599 1.00 0.00 C ATOM 701 C ASP A 47 2.586 -5.614 -13.298 1.00 0.00 C ATOM 702 O ASP A 47 2.332 -4.482 -12.868 1.00 0.00 O ATOM 703 CB ASP A 47 4.924 -5.736 -12.393 1.00 0.00 C ATOM 704 CG ASP A 47 5.611 -5.366 -13.687 1.00 0.00 C ATOM 705 OD1 ASP A 47 5.148 -5.765 -14.756 1.00 0.00 O ATOM 706 OD2 ASP A 47 6.647 -4.680 -13.665 1.00 0.00 O ATOM 0 H ASP A 47 4.205 -7.629 -14.284 1.00 0.00 H new ATOM 0 HA ASP A 47 3.199 -6.776 -11.624 1.00 0.00 H new ATOM 0 HB2 ASP A 47 4.723 -4.828 -11.824 1.00 0.00 H new ATOM 0 HB3 ASP A 47 5.600 -6.345 -11.793 1.00 0.00 H new ATOM 711 N ASN A 48 1.996 -6.139 -14.362 1.00 0.00 N ATOM 712 CA ASN A 48 0.970 -5.441 -15.144 1.00 0.00 C ATOM 713 C ASN A 48 1.453 -4.104 -15.692 1.00 0.00 C ATOM 714 O ASN A 48 0.668 -3.165 -15.849 1.00 0.00 O ATOM 715 CB ASN A 48 -0.330 -5.259 -14.341 1.00 0.00 C ATOM 716 CG ASN A 48 -1.095 -6.554 -14.150 1.00 0.00 C ATOM 717 OD1 ASN A 48 -1.856 -6.975 -15.030 1.00 0.00 O ATOM 718 ND2 ASN A 48 -0.927 -7.183 -13.008 1.00 0.00 N ATOM 0 H ASN A 48 2.214 -7.071 -14.715 1.00 0.00 H new ATOM 0 HA ASN A 48 0.759 -6.081 -16.000 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -0.091 -4.837 -13.365 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -0.968 -4.538 -14.852 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -1.433 -8.049 -12.824 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -0.291 -6.805 -12.306 1.00 0.00 H new ATOM 725 N GLU A 49 2.726 -4.024 -16.016 1.00 0.00 N ATOM 726 CA GLU A 49 3.262 -2.831 -16.638 1.00 0.00 C ATOM 727 C GLU A 49 3.106 -2.901 -18.134 1.00 0.00 C ATOM 728 O GLU A 49 3.192 -3.977 -18.718 1.00 0.00 O ATOM 729 CB GLU A 49 4.731 -2.598 -16.270 1.00 0.00 C ATOM 730 CG GLU A 49 4.951 -2.146 -14.838 1.00 0.00 C ATOM 731 CD GLU A 49 4.329 -0.790 -14.571 1.00 0.00 C ATOM 732 OE1 GLU A 49 4.609 0.160 -15.342 1.00 0.00 O ATOM 733 OE2 GLU A 49 3.562 -0.649 -13.593 1.00 0.00 O ATOM 0 H GLU A 49 3.407 -4.767 -15.860 1.00 0.00 H new ATOM 0 HA GLU A 49 2.691 -1.985 -16.256 1.00 0.00 H new ATOM 0 HB2 GLU A 49 5.286 -3.521 -16.437 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.148 -1.849 -16.943 1.00 0.00 H new ATOM 0 HG2 GLU A 49 4.525 -2.881 -14.156 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.020 -2.102 -14.632 1.00 0.00 H new ATOM 740 N ILE A 50 2.862 -1.758 -18.750 1.00 0.00 N ATOM 741 CA ILE A 50 2.751 -1.678 -20.189 1.00 0.00 C ATOM 742 C ILE A 50 4.097 -1.990 -20.807 1.00 0.00 C ATOM 743 O ILE A 50 5.099 -1.330 -20.507 1.00 0.00 O ATOM 744 CB ILE A 50 2.280 -0.275 -20.639 1.00 0.00 C ATOM 745 CG1 ILE A 50 0.890 0.033 -20.069 1.00 0.00 C ATOM 746 CG2 ILE A 50 2.272 -0.159 -22.156 1.00 0.00 C ATOM 747 CD1 ILE A 50 -0.191 -0.924 -20.522 1.00 0.00 C ATOM 0 H ILE A 50 2.737 -0.868 -18.268 1.00 0.00 H new ATOM 0 HA ILE A 50 2.008 -2.403 -20.522 1.00 0.00 H new ATOM 0 HB ILE A 50 2.987 0.458 -20.250 1.00 0.00 H new ATOM 0 HG12 ILE A 50 0.944 0.014 -18.980 1.00 0.00 H new ATOM 0 HG13 ILE A 50 0.607 1.046 -20.357 1.00 0.00 H new ATOM 0 HG21 ILE A 50 1.937 0.838 -22.443 1.00 0.00 H new ATOM 0 HG22 ILE A 50 3.278 -0.328 -22.539 1.00 0.00 H new ATOM 0 HG23 ILE A 50 1.595 -0.904 -22.574 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -1.142 -0.637 -20.074 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -0.276 -0.889 -21.608 1.00 0.00 H new ATOM 0 HD13 ILE A 50 0.065 -1.936 -20.210 1.00 0.00 H new ATOM 759 N LEU A 51 4.121 -3.001 -21.636 1.00 0.00 N ATOM 760 CA LEU A 51 5.341 -3.480 -22.211 1.00 0.00 C ATOM 761 C LEU A 51 5.327 -3.336 -23.714 1.00 0.00 C ATOM 762 O LEU A 51 4.378 -3.734 -24.380 1.00 0.00 O ATOM 763 CB LEU A 51 5.567 -4.937 -21.830 1.00 0.00 C ATOM 764 CG LEU A 51 6.881 -5.542 -22.316 1.00 0.00 C ATOM 765 CD1 LEU A 51 8.073 -4.816 -21.705 1.00 0.00 C ATOM 766 CD2 LEU A 51 6.931 -7.025 -22.017 1.00 0.00 C ATOM 0 H LEU A 51 3.290 -3.514 -21.929 1.00 0.00 H new ATOM 0 HA LEU A 51 6.159 -2.876 -21.817 1.00 0.00 H new ATOM 0 HB2 LEU A 51 5.527 -5.022 -20.744 1.00 0.00 H new ATOM 0 HB3 LEU A 51 4.744 -5.531 -22.227 1.00 0.00 H new ATOM 0 HG LEU A 51 6.935 -5.416 -23.397 1.00 0.00 H new ATOM 0 HD11 LEU A 51 8.998 -5.266 -22.067 1.00 0.00 H new ATOM 0 HD12 LEU A 51 8.045 -3.765 -21.991 1.00 0.00 H new ATOM 0 HD13 LEU A 51 8.031 -4.897 -20.619 1.00 0.00 H new ATOM 0 HD21 LEU A 51 7.876 -7.436 -22.372 1.00 0.00 H new ATOM 0 HD22 LEU A 51 6.848 -7.182 -20.942 1.00 0.00 H new ATOM 0 HD23 LEU A 51 6.105 -7.526 -22.522 1.00 0.00 H new ATOM 778 N LEU A 52 6.382 -2.760 -24.240 1.00 0.00 N ATOM 779 CA LEU A 52 6.550 -2.612 -25.668 1.00 0.00 C ATOM 780 C LEU A 52 7.656 -3.544 -26.136 1.00 0.00 C ATOM 781 O LEU A 52 8.609 -3.797 -25.402 1.00 0.00 O ATOM 782 CB LEU A 52 6.906 -1.157 -26.051 1.00 0.00 C ATOM 783 CG LEU A 52 5.860 -0.053 -25.794 1.00 0.00 C ATOM 784 CD1 LEU A 52 5.717 0.260 -24.309 1.00 0.00 C ATOM 785 CD2 LEU A 52 6.221 1.202 -26.574 1.00 0.00 C ATOM 0 H LEU A 52 7.151 -2.379 -23.689 1.00 0.00 H new ATOM 0 HA LEU A 52 5.607 -2.865 -26.153 1.00 0.00 H new ATOM 0 HB2 LEU A 52 7.814 -0.885 -25.513 1.00 0.00 H new ATOM 0 HB3 LEU A 52 7.148 -1.143 -27.114 1.00 0.00 H new ATOM 0 HG LEU A 52 4.895 -0.423 -26.140 1.00 0.00 H new ATOM 0 HD11 LEU A 52 4.971 1.043 -24.172 1.00 0.00 H new ATOM 0 HD12 LEU A 52 5.403 -0.638 -23.777 1.00 0.00 H new ATOM 0 HD13 LEU A 52 6.675 0.599 -23.915 1.00 0.00 H new ATOM 0 HD21 LEU A 52 5.476 1.975 -26.385 1.00 0.00 H new ATOM 0 HD22 LEU A 52 7.201 1.558 -26.257 1.00 0.00 H new ATOM 0 HD23 LEU A 52 6.245 0.974 -27.640 1.00 0.00 H new ATOM 797 N GLU A 53 7.519 -4.052 -27.344 1.00 0.00 N ATOM 798 CA GLU A 53 8.507 -4.930 -27.966 1.00 0.00 C ATOM 799 C GLU A 53 9.834 -4.191 -28.106 1.00 0.00 C ATOM 800 O GLU A 53 10.912 -4.780 -28.000 1.00 0.00 O ATOM 801 CB GLU A 53 8.047 -5.371 -29.373 1.00 0.00 C ATOM 802 CG GLU A 53 6.657 -6.000 -29.457 1.00 0.00 C ATOM 803 CD GLU A 53 5.540 -4.970 -29.609 1.00 0.00 C ATOM 804 OE1 GLU A 53 5.317 -4.160 -28.687 1.00 0.00 O ATOM 805 OE2 GLU A 53 4.879 -4.956 -30.658 1.00 0.00 O ATOM 0 H GLU A 53 6.709 -3.868 -27.935 1.00 0.00 H new ATOM 0 HA GLU A 53 8.622 -5.809 -27.332 1.00 0.00 H new ATOM 0 HB2 GLU A 53 8.071 -4.502 -30.030 1.00 0.00 H new ATOM 0 HB3 GLU A 53 8.772 -6.086 -29.763 1.00 0.00 H new ATOM 0 HG2 GLU A 53 6.627 -6.687 -30.303 1.00 0.00 H new ATOM 0 HG3 GLU A 53 6.478 -6.591 -28.559 1.00 0.00 H new ATOM 812 N ASN A 54 9.733 -2.886 -28.337 1.00 0.00 N ATOM 813 CA ASN A 54 10.893 -2.000 -28.480 1.00 0.00 C ATOM 814 C ASN A 54 11.676 -1.932 -27.177 1.00 0.00 C ATOM 815 O ASN A 54 12.888 -1.754 -27.175 1.00 0.00 O ATOM 816 CB ASN A 54 10.432 -0.583 -28.854 1.00 0.00 C ATOM 817 CG ASN A 54 9.816 -0.485 -30.236 1.00 0.00 C ATOM 818 OD1 ASN A 54 10.097 -1.297 -31.121 1.00 0.00 O ATOM 819 ND2 ASN A 54 8.982 0.513 -30.437 1.00 0.00 N ATOM 0 H ASN A 54 8.838 -2.405 -28.432 1.00 0.00 H new ATOM 0 HA ASN A 54 11.531 -2.402 -29.267 1.00 0.00 H new ATOM 0 HB2 ASN A 54 9.705 -0.241 -28.117 1.00 0.00 H new ATOM 0 HB3 ASN A 54 11.285 0.093 -28.798 1.00 0.00 H new ATOM 0 HD21 ASN A 54 8.543 0.635 -31.350 1.00 0.00 H new ATOM 0 HD22 ASN A 54 8.774 1.164 -29.680 1.00 0.00 H new ATOM 826 N GLN A 55 10.957 -2.084 -26.076 1.00 0.00 N ATOM 827 CA GLN A 55 11.507 -1.954 -24.738 1.00 0.00 C ATOM 828 C GLN A 55 12.293 -3.195 -24.324 1.00 0.00 C ATOM 829 O GLN A 55 13.034 -3.163 -23.354 1.00 0.00 O ATOM 830 CB GLN A 55 10.378 -1.702 -23.738 1.00 0.00 C ATOM 831 CG GLN A 55 9.676 -0.364 -23.891 1.00 0.00 C ATOM 832 CD GLN A 55 10.539 0.803 -23.486 1.00 0.00 C ATOM 833 OE1 GLN A 55 11.249 1.379 -24.307 1.00 0.00 O ATOM 834 NE2 GLN A 55 10.484 1.163 -22.220 1.00 0.00 N ATOM 0 H GLN A 55 9.961 -2.304 -26.088 1.00 0.00 H new ATOM 0 HA GLN A 55 12.196 -1.109 -24.743 1.00 0.00 H new ATOM 0 HB2 GLN A 55 9.639 -2.497 -23.838 1.00 0.00 H new ATOM 0 HB3 GLN A 55 10.784 -1.770 -22.729 1.00 0.00 H new ATOM 0 HG2 GLN A 55 9.368 -0.238 -24.929 1.00 0.00 H new ATOM 0 HG3 GLN A 55 8.769 -0.365 -23.287 1.00 0.00 H new ATOM 0 HE21 GLN A 55 9.881 0.657 -21.572 1.00 0.00 H new ATOM 0 HE22 GLN A 55 11.045 1.948 -21.888 1.00 0.00 H new ATOM 843 N LEU A 56 12.126 -4.282 -25.050 1.00 0.00 N ATOM 844 CA LEU A 56 12.786 -5.530 -24.693 1.00 0.00 C ATOM 845 C LEU A 56 14.276 -5.438 -24.967 1.00 0.00 C ATOM 846 O LEU A 56 14.700 -4.911 -26.014 1.00 0.00 O ATOM 847 CB LEU A 56 12.192 -6.711 -25.473 1.00 0.00 C ATOM 848 CG LEU A 56 10.703 -7.009 -25.250 1.00 0.00 C ATOM 849 CD1 LEU A 56 10.256 -8.169 -26.123 1.00 0.00 C ATOM 850 CD2 LEU A 56 10.432 -7.311 -23.783 1.00 0.00 C ATOM 0 H LEU A 56 11.544 -4.331 -25.886 1.00 0.00 H new ATOM 0 HA LEU A 56 12.625 -5.699 -23.628 1.00 0.00 H new ATOM 0 HB2 LEU A 56 12.346 -6.528 -26.536 1.00 0.00 H new ATOM 0 HB3 LEU A 56 12.759 -7.606 -25.218 1.00 0.00 H new ATOM 0 HG LEU A 56 10.130 -6.125 -25.531 1.00 0.00 H new ATOM 0 HD11 LEU A 56 9.198 -8.366 -25.952 1.00 0.00 H new ATOM 0 HD12 LEU A 56 10.413 -7.917 -27.172 1.00 0.00 H new ATOM 0 HD13 LEU A 56 10.836 -9.057 -25.873 1.00 0.00 H new ATOM 0 HD21 LEU A 56 9.371 -7.520 -23.644 1.00 0.00 H new ATOM 0 HD22 LEU A 56 11.016 -8.179 -23.476 1.00 0.00 H new ATOM 0 HD23 LEU A 56 10.715 -6.451 -23.176 1.00 0.00 H new ATOM 862 N PHE A 57 15.062 -5.950 -24.037 1.00 0.00 N ATOM 863 CA PHE A 57 16.504 -5.962 -24.167 1.00 0.00 C ATOM 864 C PHE A 57 16.932 -6.979 -25.223 1.00 0.00 C ATOM 865 O PHE A 57 16.133 -7.853 -25.612 1.00 0.00 O ATOM 866 CB PHE A 57 17.171 -6.276 -22.816 1.00 0.00 C ATOM 867 CG PHE A 57 17.101 -5.151 -21.813 1.00 0.00 C ATOM 868 CD1 PHE A 57 17.990 -4.092 -21.883 1.00 0.00 C ATOM 869 CD2 PHE A 57 16.160 -5.158 -20.804 1.00 0.00 C ATOM 870 CE1 PHE A 57 17.934 -3.063 -20.962 1.00 0.00 C ATOM 871 CE2 PHE A 57 16.097 -4.136 -19.882 1.00 0.00 C ATOM 872 CZ PHE A 57 16.983 -3.085 -19.963 1.00 0.00 C ATOM 0 H PHE A 57 14.717 -6.368 -23.173 1.00 0.00 H new ATOM 0 HA PHE A 57 16.829 -4.971 -24.485 1.00 0.00 H new ATOM 0 HB2 PHE A 57 16.698 -7.159 -22.387 1.00 0.00 H new ATOM 0 HB3 PHE A 57 18.217 -6.527 -22.990 1.00 0.00 H new ATOM 0 HD1 PHE A 57 18.735 -4.070 -22.665 1.00 0.00 H new ATOM 0 HD2 PHE A 57 15.461 -5.978 -20.736 1.00 0.00 H new ATOM 0 HE1 PHE A 57 18.634 -2.243 -21.024 1.00 0.00 H new ATOM 0 HE2 PHE A 57 15.355 -4.159 -19.098 1.00 0.00 H new ATOM 0 HZ PHE A 57 16.933 -2.279 -19.246 1.00 0.00 H new ATOM 882 N PRO A 58 18.182 -6.883 -25.720 1.00 0.00 N ATOM 883 CA PRO A 58 18.713 -7.833 -26.691 1.00 0.00 C ATOM 884 C PRO A 58 18.733 -9.242 -26.137 1.00 0.00 C ATOM 885 O PRO A 58 18.950 -9.450 -24.935 1.00 0.00 O ATOM 886 CB PRO A 58 20.143 -7.345 -26.938 1.00 0.00 C ATOM 887 CG PRO A 58 20.118 -5.920 -26.545 1.00 0.00 C ATOM 888 CD PRO A 58 19.172 -5.841 -25.390 1.00 0.00 C ATOM 0 HA PRO A 58 18.107 -7.874 -27.596 1.00 0.00 H new ATOM 0 HB2 PRO A 58 20.863 -7.908 -26.345 1.00 0.00 H new ATOM 0 HB3 PRO A 58 20.429 -7.464 -27.983 1.00 0.00 H new ATOM 0 HG2 PRO A 58 21.112 -5.573 -26.263 1.00 0.00 H new ATOM 0 HG3 PRO A 58 19.784 -5.291 -27.370 1.00 0.00 H new ATOM 0 HD2 PRO A 58 19.671 -6.040 -24.442 1.00 0.00 H new ATOM 0 HD3 PRO A 58 18.713 -4.856 -25.308 1.00 0.00 H new ATOM 896 N ASP A 59 18.503 -10.200 -27.003 1.00 0.00 N ATOM 897 CA ASP A 59 18.494 -11.587 -26.606 1.00 0.00 C ATOM 898 C ASP A 59 19.897 -12.037 -26.272 1.00 0.00 C ATOM 899 O ASP A 59 20.879 -11.532 -26.833 1.00 0.00 O ATOM 900 CB ASP A 59 17.895 -12.480 -27.699 1.00 0.00 C ATOM 901 CG ASP A 59 18.720 -12.517 -28.972 1.00 0.00 C ATOM 902 OD1 ASP A 59 18.618 -11.565 -29.787 1.00 0.00 O ATOM 903 OD2 ASP A 59 19.460 -13.497 -29.177 1.00 0.00 O ATOM 0 H ASP A 59 18.318 -10.042 -27.994 1.00 0.00 H new ATOM 0 HA ASP A 59 17.866 -11.681 -25.720 1.00 0.00 H new ATOM 0 HB2 ASP A 59 17.793 -13.494 -27.313 1.00 0.00 H new ATOM 0 HB3 ASP A 59 16.892 -12.126 -27.936 1.00 0.00 H new ATOM 908 N ASN A 60 20.003 -12.956 -25.352 1.00 0.00 N ATOM 909 CA ASN A 60 21.300 -13.440 -24.910 1.00 0.00 C ATOM 910 C ASN A 60 21.723 -14.646 -25.712 1.00 0.00 C ATOM 911 O ASN A 60 22.845 -15.132 -25.584 1.00 0.00 O ATOM 912 CB ASN A 60 21.267 -13.775 -23.416 1.00 0.00 C ATOM 913 CG ASN A 60 21.171 -12.537 -22.558 1.00 0.00 C ATOM 914 OD1 ASN A 60 22.183 -11.953 -22.178 1.00 0.00 O ATOM 915 ND2 ASN A 60 19.962 -12.127 -22.239 1.00 0.00 N ATOM 0 H ASN A 60 19.207 -13.392 -24.886 1.00 0.00 H new ATOM 0 HA ASN A 60 22.032 -12.649 -25.072 1.00 0.00 H new ATOM 0 HB2 ASN A 60 20.417 -14.425 -23.210 1.00 0.00 H new ATOM 0 HB3 ASN A 60 22.166 -14.331 -23.150 1.00 0.00 H new ATOM 0 HD21 ASN A 60 19.842 -11.298 -21.657 1.00 0.00 H new ATOM 0 HD22 ASN A 60 19.145 -12.638 -22.574 1.00 0.00 H new ATOM 922 N PHE A 61 20.806 -15.145 -26.518 1.00 0.00 N ATOM 923 CA PHE A 61 21.079 -16.255 -27.398 1.00 0.00 C ATOM 924 C PHE A 61 22.119 -15.878 -28.455 1.00 0.00 C ATOM 925 O PHE A 61 23.087 -16.613 -28.678 1.00 0.00 O ATOM 926 CB PHE A 61 19.781 -16.754 -28.037 1.00 0.00 C ATOM 927 CG PHE A 61 19.947 -17.939 -28.940 1.00 0.00 C ATOM 928 CD1 PHE A 61 20.222 -19.186 -28.413 1.00 0.00 C ATOM 929 CD2 PHE A 61 19.809 -17.809 -30.307 1.00 0.00 C ATOM 930 CE1 PHE A 61 20.360 -20.287 -29.231 1.00 0.00 C ATOM 931 CE2 PHE A 61 19.949 -18.908 -31.130 1.00 0.00 C ATOM 932 CZ PHE A 61 20.228 -20.146 -30.592 1.00 0.00 C ATOM 0 H PHE A 61 19.852 -14.789 -26.578 1.00 0.00 H new ATOM 0 HA PHE A 61 21.501 -17.070 -26.810 1.00 0.00 H new ATOM 0 HB2 PHE A 61 19.077 -17.012 -27.246 1.00 0.00 H new ATOM 0 HB3 PHE A 61 19.335 -15.939 -28.607 1.00 0.00 H new ATOM 0 HD1 PHE A 61 20.330 -19.300 -27.345 1.00 0.00 H new ATOM 0 HD2 PHE A 61 19.590 -16.842 -30.735 1.00 0.00 H new ATOM 0 HE1 PHE A 61 20.571 -21.256 -28.804 1.00 0.00 H new ATOM 0 HE2 PHE A 61 19.840 -18.798 -32.199 1.00 0.00 H new ATOM 0 HZ PHE A 61 20.343 -21.004 -31.238 1.00 0.00 H new ATOM 942 N ALA A 62 21.936 -14.723 -29.086 1.00 0.00 N ATOM 943 CA ALA A 62 22.852 -14.258 -30.108 1.00 0.00 C ATOM 944 C ALA A 62 24.006 -13.480 -29.503 1.00 0.00 C ATOM 945 O ALA A 62 23.863 -12.302 -29.146 1.00 0.00 O ATOM 946 CB ALA A 62 22.128 -13.424 -31.157 1.00 0.00 C ATOM 0 H ALA A 62 21.156 -14.092 -28.902 1.00 0.00 H new ATOM 0 HA ALA A 62 23.265 -15.138 -30.602 1.00 0.00 H new ATOM 0 HB1 ALA A 62 22.841 -13.089 -31.911 1.00 0.00 H new ATOM 0 HB2 ALA A 62 21.355 -14.028 -31.632 1.00 0.00 H new ATOM 0 HB3 ALA A 62 21.670 -12.557 -30.680 1.00 0.00 H new ATOM 952 N LYS A 63 25.132 -14.145 -29.367 1.00 0.00 N ATOM 953 CA LYS A 63 26.341 -13.524 -28.891 1.00 0.00 C ATOM 954 C LYS A 63 27.340 -13.469 -30.026 1.00 0.00 C ATOM 955 O LYS A 63 27.444 -12.412 -30.678 1.00 0.00 O ATOM 956 CB LYS A 63 26.921 -14.292 -27.699 1.00 0.00 C ATOM 957 CG LYS A 63 28.179 -13.679 -27.115 1.00 0.00 C ATOM 958 CD LYS A 63 28.677 -14.483 -25.937 1.00 0.00 C ATOM 959 CE LYS A 63 29.924 -13.864 -25.347 1.00 0.00 C ATOM 960 NZ LYS A 63 30.410 -14.614 -24.170 1.00 0.00 N ATOM 961 OXT LYS A 63 27.998 -14.502 -30.302 1.00 0.00 O ATOM 0 H LYS A 63 25.232 -15.136 -29.585 1.00 0.00 H new ATOM 0 HA LYS A 63 26.116 -12.513 -28.550 1.00 0.00 H new ATOM 0 HB2 LYS A 63 26.164 -14.353 -26.917 1.00 0.00 H new ATOM 0 HB3 LYS A 63 27.139 -15.313 -28.011 1.00 0.00 H new ATOM 0 HG2 LYS A 63 28.953 -13.631 -27.880 1.00 0.00 H new ATOM 0 HG3 LYS A 63 27.977 -12.655 -26.801 1.00 0.00 H new ATOM 0 HD2 LYS A 63 27.899 -14.539 -25.175 1.00 0.00 H new ATOM 0 HD3 LYS A 63 28.888 -15.505 -26.253 1.00 0.00 H new ATOM 0 HE2 LYS A 63 30.707 -13.832 -26.105 1.00 0.00 H new ATOM 0 HE3 LYS A 63 29.716 -12.833 -25.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 31.266 -14.157 -23.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 29.673 -14.623 -23.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 30.633 -15.591 -24.449 1.00 0.00 H new TER 975 LYS A 63 HETATM 976 ZN ZN A 65 9.047 -18.920 -22.704 1.00 0.00 ZN HETATM 977 ZN ZN A 66 6.719 -5.326 -15.732 1.00 0.00 ZN