USER MOD reduce.3.24.130724 H: found=0, std=0, add=876, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 876 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 6 LYS NZ :NH3+ -173:sc= 1.21 (180deg=1.09) USER MOD Set 1.2: B 686 GLN : amide:sc= 1.19 K(o=2.4,f=0.83) USER MOD Set 2.1: A 55 THR OG1 : rot 121:sc= 0.872 USER MOD Set 2.2: A 57 SER OG : rot -85:sc= 1.11 USER MOD Set 3.1: A 7 THR OG1 : rot 132:sc= 1.98 USER MOD Set 3.2: A 9 THR OG1 : rot 170:sc= 0.745 USER MOD Single : A 1 MET CE :methyl -171:sc= -0.0781 (180deg=-0.229) USER MOD Single : A 1 MET N :NH3+ 173:sc= 0.945 (180deg=0.903) USER MOD Single : A 2 GLN : amide:sc= -1.5 K(o=-1.5,f=0.12) USER MOD Single : A 11 LYS NZ :NH3+ -171:sc= 0.976 (180deg=0.854) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0621 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0163 USER MOD Single : A 25 ASN : amide:sc= -0.967! X(o=-0.97!,f=-0.81) USER MOD Single : A 27 LYS NZ :NH3+ 154:sc= 1.22 (180deg=1.14) USER MOD Single : A 29 LYS NZ :NH3+ -178:sc= 0.905 (180deg=0.902) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 LYS NZ :NH3+ 173:sc= 0.85 (180deg=0.814) USER MOD Single : A 40 GLN : amide:sc=-0.00285 X(o=-0.0029,f=-0.34) USER MOD Single : A 41 GLN : amide:sc= 1.07 K(o=1.1,f=-4.7!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 1.98 K(o=2,f=-3.7!) USER MOD Single : A 59 TYR OH : rot 60:sc= -0.576 USER MOD Single : A 60 ASN : amide:sc= -0.0284 X(o=-0.028,f=0) USER MOD Single : A 62 GLN : amide:sc= 0.874 K(o=0.87,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 176:sc= 1.24 (180deg=1.15) USER MOD Single : A 65 SER OG : rot 54:sc= 0.719 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= -0.0459 K(o=-0.046,f=-0.55) USER MOD Single : B 678 THR OG1 : rot 180:sc= 0 USER MOD Single : B 681 SER OG : rot 180:sc=0.000514 USER MOD Single : B 689 TYR OH : rot 180:sc= 0 USER MOD Single : B 696 GLN : amide:sc= -0.107 X(o=-0.11,f=-0.17) USER MOD Single : B 697 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 704 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 706 THR OG1 : rot -88:sc= 0.974 USER MOD Single : B 708 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.123 1.373 0.350 1.00 0.00 N ATOM 2 CA MET A 1 1.974 1.349 -0.888 1.00 0.00 C ATOM 3 C MET A 1 1.731 2.582 -1.755 1.00 0.00 C ATOM 4 O MET A 1 0.761 3.283 -1.520 1.00 0.00 O ATOM 5 CB MET A 1 1.787 0.063 -1.739 1.00 0.00 C ATOM 6 CG MET A 1 0.447 -0.130 -2.474 1.00 0.00 C ATOM 7 SD MET A 1 0.281 -1.776 -3.216 1.00 0.00 S ATOM 8 CE MET A 1 -0.866 -1.493 -4.599 1.00 0.00 C ATOM 0 H1 MET A 1 1.222 0.470 0.857 1.00 0.00 H new ATOM 0 H2 MET A 1 1.430 2.152 0.967 1.00 0.00 H new ATOM 0 H3 MET A 1 0.127 1.513 0.084 1.00 0.00 H new ATOM 0 HA MET A 1 3.004 1.354 -0.533 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.583 0.037 -2.483 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.935 -0.795 -1.084 1.00 0.00 H new ATOM 0 HG2 MET A 1 -0.372 0.032 -1.774 1.00 0.00 H new ATOM 0 HG3 MET A 1 0.354 0.626 -3.254 1.00 0.00 H new ATOM 0 HE1 MET A 1 -1.166 -2.451 -5.025 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.748 -0.964 -4.238 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.372 -0.894 -5.364 1.00 0.00 H new ATOM 20 N GLN A 2 2.503 2.806 -2.827 1.00 0.00 N ATOM 21 CA GLN A 2 2.202 3.860 -3.804 1.00 0.00 C ATOM 22 C GLN A 2 2.184 3.300 -5.207 1.00 0.00 C ATOM 23 O GLN A 2 2.858 2.301 -5.459 1.00 0.00 O ATOM 24 CB GLN A 2 3.172 5.058 -3.656 1.00 0.00 C ATOM 25 CG GLN A 2 4.511 5.005 -4.415 1.00 0.00 C ATOM 26 CD GLN A 2 5.463 4.057 -3.720 1.00 0.00 C ATOM 27 OE1 GLN A 2 6.309 4.429 -2.914 1.00 0.00 O ATOM 28 NE2 GLN A 2 5.258 2.785 -4.001 1.00 0.00 N ATOM 0 H GLN A 2 3.344 2.269 -3.040 1.00 0.00 H new ATOM 0 HA GLN A 2 1.203 4.244 -3.599 1.00 0.00 H new ATOM 0 HB2 GLN A 2 2.643 5.956 -3.975 1.00 0.00 H new ATOM 0 HB3 GLN A 2 3.394 5.178 -2.596 1.00 0.00 H new ATOM 0 HG2 GLN A 2 4.344 4.678 -5.441 1.00 0.00 H new ATOM 0 HG3 GLN A 2 4.950 6.002 -4.465 1.00 0.00 H new ATOM 0 HE21 GLN A 2 4.543 2.521 -4.679 1.00 0.00 H new ATOM 0 HE22 GLN A 2 5.815 2.065 -3.541 1.00 0.00 H new ATOM 37 N ILE A 3 1.520 3.982 -6.125 1.00 0.00 N ATOM 38 CA ILE A 3 1.499 3.626 -7.546 1.00 0.00 C ATOM 39 C ILE A 3 1.624 4.899 -8.359 1.00 0.00 C ATOM 40 O ILE A 3 1.324 5.978 -7.865 1.00 0.00 O ATOM 41 CB ILE A 3 0.223 2.831 -7.874 1.00 0.00 C ATOM 42 CG1 ILE A 3 -1.030 3.591 -7.384 1.00 0.00 C ATOM 43 CG2 ILE A 3 0.330 1.412 -7.278 1.00 0.00 C ATOM 44 CD1 ILE A 3 -2.270 3.321 -8.224 1.00 0.00 C ATOM 0 H ILE A 3 0.970 4.813 -5.907 1.00 0.00 H new ATOM 0 HA ILE A 3 2.338 2.977 -7.798 1.00 0.00 H new ATOM 0 HB ILE A 3 0.120 2.726 -8.954 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -1.233 3.312 -6.350 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -0.822 4.661 -7.391 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -0.575 0.850 -7.511 1.00 0.00 H new ATOM 0 HG22 ILE A 3 1.194 0.902 -7.705 1.00 0.00 H new ATOM 0 HG23 ILE A 3 0.446 1.480 -6.196 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -3.111 3.887 -7.823 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -2.085 3.626 -9.254 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -2.503 2.257 -8.197 1.00 0.00 H new ATOM 56 N PHE A 4 2.077 4.751 -9.593 1.00 0.00 N ATOM 57 CA PHE A 4 2.479 5.827 -10.481 1.00 0.00 C ATOM 58 C PHE A 4 1.476 5.927 -11.616 1.00 0.00 C ATOM 59 O PHE A 4 1.529 5.180 -12.581 1.00 0.00 O ATOM 60 CB PHE A 4 3.890 5.531 -11.008 1.00 0.00 C ATOM 61 CG PHE A 4 4.889 4.976 -10.022 1.00 0.00 C ATOM 62 CD1 PHE A 4 5.131 5.676 -8.836 1.00 0.00 C ATOM 63 CD2 PHE A 4 5.605 3.797 -10.294 1.00 0.00 C ATOM 64 CE1 PHE A 4 6.073 5.208 -7.908 1.00 0.00 C ATOM 65 CE2 PHE A 4 6.595 3.367 -9.396 1.00 0.00 C ATOM 66 CZ PHE A 4 6.839 4.075 -8.205 1.00 0.00 C ATOM 0 H PHE A 4 2.179 3.832 -10.023 1.00 0.00 H new ATOM 0 HA PHE A 4 2.499 6.781 -9.954 1.00 0.00 H new ATOM 0 HB2 PHE A 4 3.802 4.825 -11.834 1.00 0.00 H new ATOM 0 HB3 PHE A 4 4.298 6.454 -11.420 1.00 0.00 H new ATOM 0 HD1 PHE A 4 4.587 6.586 -8.632 1.00 0.00 H new ATOM 0 HD2 PHE A 4 5.395 3.227 -11.187 1.00 0.00 H new ATOM 0 HE1 PHE A 4 6.207 5.721 -6.967 1.00 0.00 H new ATOM 0 HE2 PHE A 4 7.175 2.484 -9.622 1.00 0.00 H new ATOM 0 HZ PHE A 4 7.611 3.747 -7.525 1.00 0.00 H new ATOM 76 N VAL A 5 0.517 6.823 -11.531 1.00 0.00 N ATOM 77 CA VAL A 5 -0.467 6.959 -12.599 1.00 0.00 C ATOM 78 C VAL A 5 0.158 7.891 -13.624 1.00 0.00 C ATOM 79 O VAL A 5 0.266 9.092 -13.387 1.00 0.00 O ATOM 80 CB VAL A 5 -1.822 7.415 -12.052 1.00 0.00 C ATOM 81 CG1 VAL A 5 -2.873 7.489 -13.176 1.00 0.00 C ATOM 82 CG2 VAL A 5 -2.290 6.449 -10.955 1.00 0.00 C ATOM 0 H VAL A 5 0.392 7.464 -10.747 1.00 0.00 H new ATOM 0 HA VAL A 5 -0.700 6.010 -13.081 1.00 0.00 H new ATOM 0 HB VAL A 5 -1.706 8.413 -11.630 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -3.827 7.815 -12.761 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -2.545 8.200 -13.935 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -2.992 6.504 -13.628 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -3.255 6.777 -10.568 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -2.388 5.446 -11.371 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -1.560 6.436 -10.146 1.00 0.00 H new ATOM 92 N LYS A 6 0.631 7.351 -14.744 1.00 0.00 N ATOM 93 CA LYS A 6 1.116 8.178 -15.836 1.00 0.00 C ATOM 94 C LYS A 6 -0.117 8.800 -16.463 1.00 0.00 C ATOM 95 O LYS A 6 -1.038 8.077 -16.860 1.00 0.00 O ATOM 96 CB LYS A 6 1.937 7.318 -16.809 1.00 0.00 C ATOM 97 CG LYS A 6 2.735 8.228 -17.763 1.00 0.00 C ATOM 98 CD LYS A 6 3.606 7.490 -18.794 1.00 0.00 C ATOM 99 CE LYS A 6 4.551 8.457 -19.536 1.00 0.00 C ATOM 100 NZ LYS A 6 5.560 7.744 -20.369 1.00 0.00 N ATOM 0 H LYS A 6 0.687 6.347 -14.915 1.00 0.00 H new ATOM 0 HA LYS A 6 1.791 8.970 -15.511 1.00 0.00 H new ATOM 0 HB2 LYS A 6 2.617 6.672 -16.253 1.00 0.00 H new ATOM 0 HB3 LYS A 6 1.276 6.667 -17.381 1.00 0.00 H new ATOM 0 HG2 LYS A 6 2.035 8.872 -18.296 1.00 0.00 H new ATOM 0 HG3 LYS A 6 3.376 8.878 -17.168 1.00 0.00 H new ATOM 0 HD2 LYS A 6 4.193 6.721 -18.291 1.00 0.00 H new ATOM 0 HD3 LYS A 6 2.966 6.982 -19.515 1.00 0.00 H new ATOM 0 HE2 LYS A 6 3.962 9.119 -20.172 1.00 0.00 H new ATOM 0 HE3 LYS A 6 5.064 9.087 -18.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 6.242 8.430 -20.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 6.062 7.046 -19.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 5.081 7.258 -21.154 1.00 0.00 H new ATOM 114 N THR A 7 -0.180 10.120 -16.548 1.00 0.00 N ATOM 115 CA THR A 7 -1.223 10.734 -17.332 1.00 0.00 C ATOM 116 C THR A 7 -0.956 10.424 -18.779 1.00 0.00 C ATOM 117 O THR A 7 0.154 10.087 -19.168 1.00 0.00 O ATOM 118 CB THR A 7 -1.323 12.241 -17.121 1.00 0.00 C ATOM 119 OG1 THR A 7 -0.101 12.839 -17.464 1.00 0.00 O ATOM 120 CG2 THR A 7 -1.655 12.538 -15.678 1.00 0.00 C ATOM 0 H THR A 7 0.464 10.767 -16.094 1.00 0.00 H new ATOM 0 HA THR A 7 -2.181 10.325 -17.011 1.00 0.00 H new ATOM 0 HB THR A 7 -2.114 12.644 -17.753 1.00 0.00 H new ATOM 0 HG1 THR A 7 -0.266 13.607 -18.050 1.00 0.00 H new ATOM 0 HG21 THR A 7 -1.725 13.616 -15.535 1.00 0.00 H new ATOM 0 HG22 THR A 7 -2.608 12.076 -15.421 1.00 0.00 H new ATOM 0 HG23 THR A 7 -0.872 12.137 -15.034 1.00 0.00 H new ATOM 128 N LEU A 8 -1.974 10.611 -19.589 1.00 0.00 N ATOM 129 CA LEU A 8 -1.807 10.579 -21.029 1.00 0.00 C ATOM 130 C LEU A 8 -0.892 11.748 -21.478 1.00 0.00 C ATOM 131 O LEU A 8 -0.456 11.685 -22.618 1.00 0.00 O ATOM 132 CB LEU A 8 -3.206 10.590 -21.663 1.00 0.00 C ATOM 133 CG LEU A 8 -3.807 9.334 -22.299 1.00 0.00 C ATOM 134 CD1 LEU A 8 -5.274 9.591 -22.675 1.00 0.00 C ATOM 135 CD2 LEU A 8 -3.142 8.945 -23.605 1.00 0.00 C ATOM 0 H LEU A 8 -2.929 10.787 -19.277 1.00 0.00 H new ATOM 0 HA LEU A 8 -1.303 9.673 -21.365 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -3.901 10.917 -20.890 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -3.199 11.362 -22.432 1.00 0.00 H new ATOM 0 HG LEU A 8 -3.674 8.547 -21.556 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -5.696 8.694 -23.127 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -5.840 9.847 -21.779 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -5.328 10.415 -23.386 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -3.616 8.047 -24.001 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -3.247 9.758 -24.323 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -2.084 8.750 -23.430 1.00 0.00 H new ATOM 147 N THR A 9 -0.570 12.802 -20.689 1.00 0.00 N ATOM 148 CA THR A 9 0.493 13.748 -21.097 1.00 0.00 C ATOM 149 C THR A 9 1.831 13.069 -20.894 1.00 0.00 C ATOM 150 O THR A 9 2.772 13.245 -21.666 1.00 0.00 O ATOM 151 CB THR A 9 0.583 15.046 -20.270 1.00 0.00 C ATOM 152 OG1 THR A 9 -0.269 15.022 -19.153 1.00 0.00 O ATOM 153 CG2 THR A 9 0.312 16.279 -21.122 1.00 0.00 C ATOM 0 H THR A 9 -1.015 13.013 -19.796 1.00 0.00 H new ATOM 0 HA THR A 9 0.250 14.015 -22.125 1.00 0.00 H new ATOM 0 HB THR A 9 1.608 15.106 -19.904 1.00 0.00 H new ATOM 0 HG1 THR A 9 -0.067 15.784 -18.571 1.00 0.00 H new ATOM 0 HG21 THR A 9 0.385 17.173 -20.502 1.00 0.00 H new ATOM 0 HG22 THR A 9 1.046 16.334 -21.926 1.00 0.00 H new ATOM 0 HG23 THR A 9 -0.689 16.214 -21.548 1.00 0.00 H new ATOM 161 N GLY A 10 1.891 12.309 -19.808 1.00 0.00 N ATOM 162 CA GLY A 10 3.067 11.645 -19.331 1.00 0.00 C ATOM 163 C GLY A 10 3.586 12.273 -18.050 1.00 0.00 C ATOM 164 O GLY A 10 4.771 12.146 -17.744 1.00 0.00 O ATOM 0 H GLY A 10 1.076 12.140 -19.218 1.00 0.00 H new ATOM 0 HA2 GLY A 10 2.845 10.592 -19.156 1.00 0.00 H new ATOM 0 HA3 GLY A 10 3.843 11.684 -20.096 1.00 0.00 H new ATOM 168 N LYS A 11 2.707 12.955 -17.307 1.00 0.00 N ATOM 169 CA LYS A 11 3.037 13.404 -15.961 1.00 0.00 C ATOM 170 C LYS A 11 2.708 12.223 -15.096 1.00 0.00 C ATOM 171 O LYS A 11 1.568 11.777 -15.117 1.00 0.00 O ATOM 172 CB LYS A 11 2.204 14.632 -15.575 1.00 0.00 C ATOM 173 CG LYS A 11 2.498 15.085 -14.130 1.00 0.00 C ATOM 174 CD LYS A 11 1.542 14.590 -13.029 1.00 0.00 C ATOM 175 CE LYS A 11 0.048 14.860 -13.271 1.00 0.00 C ATOM 176 NZ LYS A 11 -0.333 16.295 -13.268 1.00 0.00 N ATOM 0 H LYS A 11 1.768 13.204 -17.618 1.00 0.00 H new ATOM 0 HA LYS A 11 4.077 13.714 -15.860 1.00 0.00 H new ATOM 0 HB2 LYS A 11 2.418 15.449 -16.264 1.00 0.00 H new ATOM 0 HB3 LYS A 11 1.144 14.400 -15.676 1.00 0.00 H new ATOM 0 HG2 LYS A 11 3.506 14.761 -13.873 1.00 0.00 H new ATOM 0 HG3 LYS A 11 2.499 16.175 -14.111 1.00 0.00 H new ATOM 0 HD2 LYS A 11 1.683 13.516 -12.907 1.00 0.00 H new ATOM 0 HD3 LYS A 11 1.829 15.058 -12.087 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -0.235 14.425 -14.230 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -0.529 14.344 -12.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -1.369 16.379 -13.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 0.037 16.751 -12.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 0.066 16.762 -14.107 1.00 0.00 H new ATOM 190 N THR A 12 3.650 11.715 -14.334 1.00 0.00 N ATOM 191 CA THR A 12 3.386 10.542 -13.534 1.00 0.00 C ATOM 192 C THR A 12 3.026 11.023 -12.138 1.00 0.00 C ATOM 193 O THR A 12 3.869 11.548 -11.409 1.00 0.00 O ATOM 194 CB THR A 12 4.579 9.595 -13.631 1.00 0.00 C ATOM 195 OG1 THR A 12 5.059 9.548 -14.966 1.00 0.00 O ATOM 196 CG2 THR A 12 4.114 8.195 -13.261 1.00 0.00 C ATOM 0 H THR A 12 4.595 12.090 -14.252 1.00 0.00 H new ATOM 0 HA THR A 12 2.540 9.951 -13.884 1.00 0.00 H new ATOM 0 HB THR A 12 5.367 9.945 -12.964 1.00 0.00 H new ATOM 0 HG1 THR A 12 5.825 8.939 -15.017 1.00 0.00 H new ATOM 0 HG21 THR A 12 4.954 7.504 -13.325 1.00 0.00 H new ATOM 0 HG22 THR A 12 3.723 8.198 -12.243 1.00 0.00 H new ATOM 0 HG23 THR A 12 3.330 7.878 -13.949 1.00 0.00 H new ATOM 204 N ILE A 13 1.737 10.905 -11.814 1.00 0.00 N ATOM 205 CA ILE A 13 1.208 11.283 -10.519 1.00 0.00 C ATOM 206 C ILE A 13 1.303 10.035 -9.665 1.00 0.00 C ATOM 207 O ILE A 13 0.592 9.060 -9.885 1.00 0.00 O ATOM 208 CB ILE A 13 -0.201 11.923 -10.610 1.00 0.00 C ATOM 209 CG1 ILE A 13 -1.057 11.799 -9.320 1.00 0.00 C ATOM 210 CG2 ILE A 13 -1.065 11.596 -11.837 1.00 0.00 C ATOM 211 CD1 ILE A 13 -2.270 10.847 -9.346 1.00 0.00 C ATOM 0 H ILE A 13 1.032 10.540 -12.454 1.00 0.00 H new ATOM 0 HA ILE A 13 1.782 12.085 -10.055 1.00 0.00 H new ATOM 0 HB ILE A 13 0.101 12.962 -10.743 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -0.399 11.480 -8.512 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -1.419 12.794 -9.062 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -2.020 12.116 -11.759 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -0.549 11.919 -12.742 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -1.240 10.521 -11.883 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -2.768 10.866 -8.377 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -2.968 11.168 -10.119 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -1.932 9.833 -9.560 1.00 0.00 H new ATOM 223 N THR A 14 2.197 10.064 -8.694 1.00 0.00 N ATOM 224 CA THR A 14 2.328 9.004 -7.720 1.00 0.00 C ATOM 225 C THR A 14 1.248 9.244 -6.669 1.00 0.00 C ATOM 226 O THR A 14 0.955 10.393 -6.316 1.00 0.00 O ATOM 227 CB THR A 14 3.759 9.014 -7.162 1.00 0.00 C ATOM 228 OG1 THR A 14 4.664 9.036 -8.255 1.00 0.00 O ATOM 229 CG2 THR A 14 4.065 7.781 -6.295 1.00 0.00 C ATOM 0 H THR A 14 2.856 10.831 -8.561 1.00 0.00 H new ATOM 0 HA THR A 14 2.180 8.009 -8.140 1.00 0.00 H new ATOM 0 HB THR A 14 3.865 9.895 -6.529 1.00 0.00 H new ATOM 0 HG1 THR A 14 5.584 9.044 -7.918 1.00 0.00 H new ATOM 0 HG21 THR A 14 5.089 7.840 -5.927 1.00 0.00 H new ATOM 0 HG22 THR A 14 3.377 7.751 -5.450 1.00 0.00 H new ATOM 0 HG23 THR A 14 3.946 6.877 -6.893 1.00 0.00 H new ATOM 237 N LEU A 15 0.637 8.167 -6.178 1.00 0.00 N ATOM 238 CA LEU A 15 -0.371 8.238 -5.136 1.00 0.00 C ATOM 239 C LEU A 15 -0.228 7.047 -4.228 1.00 0.00 C ATOM 240 O LEU A 15 0.245 6.013 -4.686 1.00 0.00 O ATOM 241 CB LEU A 15 -1.785 8.310 -5.733 1.00 0.00 C ATOM 242 CG LEU A 15 -2.327 7.059 -6.439 1.00 0.00 C ATOM 243 CD1 LEU A 15 -3.811 6.886 -6.140 1.00 0.00 C ATOM 244 CD2 LEU A 15 -2.173 7.179 -7.930 1.00 0.00 C ATOM 0 H LEU A 15 0.832 7.218 -6.497 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.221 9.150 -4.558 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.475 8.567 -4.930 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.806 9.133 -6.447 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.759 6.204 -6.072 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -4.183 5.995 -6.647 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -3.955 6.779 -5.065 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -4.358 7.760 -6.494 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.564 6.281 -8.410 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.726 8.049 -8.284 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.118 7.293 -8.179 1.00 0.00 H new ATOM 256 N GLU A 16 -0.693 7.154 -2.991 1.00 0.00 N ATOM 257 CA GLU A 16 -0.578 6.080 -2.023 1.00 0.00 C ATOM 258 C GLU A 16 -1.948 5.433 -1.838 1.00 0.00 C ATOM 259 O GLU A 16 -2.984 6.089 -1.715 1.00 0.00 O ATOM 260 CB GLU A 16 0.103 6.547 -0.729 1.00 0.00 C ATOM 261 CG GLU A 16 1.633 6.494 -0.886 1.00 0.00 C ATOM 262 CD GLU A 16 2.340 7.026 0.372 1.00 0.00 C ATOM 263 OE1 GLU A 16 2.616 8.247 0.446 1.00 0.00 O ATOM 264 OE2 GLU A 16 2.634 6.220 1.290 1.00 0.00 O ATOM 0 H GLU A 16 -1.159 7.988 -2.634 1.00 0.00 H new ATOM 0 HA GLU A 16 0.090 5.303 -2.395 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -0.211 7.563 -0.490 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -0.207 5.914 0.103 1.00 0.00 H new ATOM 0 HG2 GLU A 16 1.946 5.467 -1.076 1.00 0.00 H new ATOM 0 HG3 GLU A 16 1.933 7.084 -1.752 1.00 0.00 H new ATOM 271 N VAL A 17 -1.905 4.108 -1.901 1.00 0.00 N ATOM 272 CA VAL A 17 -3.010 3.167 -1.984 1.00 0.00 C ATOM 273 C VAL A 17 -2.642 1.900 -1.191 1.00 0.00 C ATOM 274 O VAL A 17 -1.599 1.825 -0.544 1.00 0.00 O ATOM 275 CB VAL A 17 -3.253 2.835 -3.478 1.00 0.00 C ATOM 276 CG1 VAL A 17 -3.605 4.064 -4.322 1.00 0.00 C ATOM 277 CG2 VAL A 17 -2.026 2.156 -4.112 1.00 0.00 C ATOM 0 H VAL A 17 -1.009 3.621 -1.894 1.00 0.00 H new ATOM 0 HA VAL A 17 -3.921 3.589 -1.560 1.00 0.00 H new ATOM 0 HB VAL A 17 -4.107 2.157 -3.479 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -3.762 3.761 -5.357 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -4.515 4.522 -3.935 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -2.788 4.784 -4.275 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.232 1.937 -5.160 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -1.165 2.821 -4.042 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -1.810 1.227 -3.583 1.00 0.00 H new ATOM 287 N GLU A 18 -3.437 0.854 -1.355 1.00 0.00 N ATOM 288 CA GLU A 18 -3.203 -0.513 -0.900 1.00 0.00 C ATOM 289 C GLU A 18 -3.511 -1.400 -2.108 1.00 0.00 C ATOM 290 O GLU A 18 -4.186 -0.926 -3.022 1.00 0.00 O ATOM 291 CB GLU A 18 -4.140 -0.874 0.267 1.00 0.00 C ATOM 292 CG GLU A 18 -4.084 0.091 1.462 1.00 0.00 C ATOM 293 CD GLU A 18 -2.686 0.261 2.096 1.00 0.00 C ATOM 294 OE1 GLU A 18 -1.802 -0.617 1.944 1.00 0.00 O ATOM 295 OE2 GLU A 18 -2.474 1.283 2.794 1.00 0.00 O ATOM 0 H GLU A 18 -4.328 0.942 -1.845 1.00 0.00 H new ATOM 0 HA GLU A 18 -2.183 -0.642 -0.539 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -5.164 -0.910 -0.105 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -3.893 -1.877 0.616 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -4.441 1.069 1.138 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -4.774 -0.262 2.228 1.00 0.00 H new ATOM 302 N PRO A 19 -3.093 -2.673 -2.186 1.00 0.00 N ATOM 303 CA PRO A 19 -3.542 -3.532 -3.283 1.00 0.00 C ATOM 304 C PRO A 19 -5.074 -3.641 -3.331 1.00 0.00 C ATOM 305 O PRO A 19 -5.663 -3.722 -4.403 1.00 0.00 O ATOM 306 CB PRO A 19 -2.856 -4.890 -3.068 1.00 0.00 C ATOM 307 CG PRO A 19 -1.753 -4.622 -2.040 1.00 0.00 C ATOM 308 CD PRO A 19 -2.244 -3.403 -1.258 1.00 0.00 C ATOM 0 HA PRO A 19 -3.267 -3.116 -4.252 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -3.563 -5.635 -2.703 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -2.441 -5.274 -4.000 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -1.605 -5.480 -1.385 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -0.798 -4.423 -2.526 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -2.799 -3.703 -0.369 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -1.409 -2.789 -0.921 1.00 0.00 H new ATOM 316 N SER A 20 -5.740 -3.548 -2.186 1.00 0.00 N ATOM 317 CA SER A 20 -7.174 -3.700 -2.019 1.00 0.00 C ATOM 318 C SER A 20 -7.896 -2.383 -2.262 1.00 0.00 C ATOM 319 O SER A 20 -9.117 -2.307 -2.082 1.00 0.00 O ATOM 320 CB SER A 20 -7.421 -4.254 -0.605 1.00 0.00 C ATOM 321 OG SER A 20 -6.589 -3.593 0.353 1.00 0.00 O ATOM 0 H SER A 20 -5.265 -3.354 -1.304 1.00 0.00 H new ATOM 0 HA SER A 20 -7.577 -4.397 -2.754 1.00 0.00 H new ATOM 0 HB2 SER A 20 -8.469 -4.122 -0.336 1.00 0.00 H new ATOM 0 HB3 SER A 20 -7.221 -5.325 -0.589 1.00 0.00 H new ATOM 0 HG SER A 20 -6.763 -3.959 1.245 1.00 0.00 H new ATOM 327 N ASP A 21 -7.174 -1.335 -2.672 1.00 0.00 N ATOM 328 CA ASP A 21 -7.791 -0.098 -3.039 1.00 0.00 C ATOM 329 C ASP A 21 -8.644 -0.352 -4.267 1.00 0.00 C ATOM 330 O ASP A 21 -8.137 -0.868 -5.271 1.00 0.00 O ATOM 331 CB ASP A 21 -6.755 0.994 -3.340 1.00 0.00 C ATOM 332 CG ASP A 21 -6.494 1.933 -2.156 1.00 0.00 C ATOM 333 OD1 ASP A 21 -6.500 1.491 -0.989 1.00 0.00 O ATOM 334 OD2 ASP A 21 -6.327 3.141 -2.428 1.00 0.00 O ATOM 0 H ASP A 21 -6.157 -1.339 -2.751 1.00 0.00 H new ATOM 0 HA ASP A 21 -8.396 0.259 -2.206 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -5.817 0.523 -3.633 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -7.096 1.582 -4.192 1.00 0.00 H new ATOM 339 N THR A 22 -9.927 0.001 -4.206 1.00 0.00 N ATOM 340 CA THR A 22 -10.771 -0.083 -5.380 1.00 0.00 C ATOM 341 C THR A 22 -10.409 1.016 -6.347 1.00 0.00 C ATOM 342 O THR A 22 -10.009 2.114 -5.937 1.00 0.00 O ATOM 343 CB THR A 22 -12.266 -0.021 -5.058 1.00 0.00 C ATOM 344 OG1 THR A 22 -12.490 0.939 -4.040 1.00 0.00 O ATOM 345 CG2 THR A 22 -12.774 -1.387 -4.628 1.00 0.00 C ATOM 0 H THR A 22 -10.393 0.342 -3.365 1.00 0.00 H new ATOM 0 HA THR A 22 -10.589 -1.060 -5.828 1.00 0.00 H new ATOM 0 HB THR A 22 -12.814 0.275 -5.953 1.00 0.00 H new ATOM 0 HG1 THR A 22 -13.447 0.981 -3.834 1.00 0.00 H new ATOM 0 HG21 THR A 22 -13.839 -1.325 -4.403 1.00 0.00 H new ATOM 0 HG22 THR A 22 -12.615 -2.104 -5.433 1.00 0.00 H new ATOM 0 HG23 THR A 22 -12.234 -1.713 -3.739 1.00 0.00 H new ATOM 353 N ILE A 23 -10.630 0.735 -7.623 1.00 0.00 N ATOM 354 CA ILE A 23 -10.555 1.716 -8.682 1.00 0.00 C ATOM 355 C ILE A 23 -11.447 2.920 -8.379 1.00 0.00 C ATOM 356 O ILE A 23 -10.999 4.029 -8.623 1.00 0.00 O ATOM 357 CB ILE A 23 -10.902 1.064 -10.027 1.00 0.00 C ATOM 358 CG1 ILE A 23 -10.031 -0.159 -10.370 1.00 0.00 C ATOM 359 CG2 ILE A 23 -10.844 2.071 -11.188 1.00 0.00 C ATOM 360 CD1 ILE A 23 -8.580 -0.167 -9.886 1.00 0.00 C ATOM 0 H ILE A 23 -10.871 -0.200 -7.952 1.00 0.00 H new ATOM 0 HA ILE A 23 -9.533 2.091 -8.746 1.00 0.00 H new ATOM 0 HB ILE A 23 -11.926 0.711 -9.902 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -10.523 -1.043 -9.965 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -10.022 -0.268 -11.454 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -11.097 1.566 -12.120 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -11.556 2.876 -11.007 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -9.838 2.485 -11.261 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -8.096 -1.091 -10.203 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -8.050 0.685 -10.311 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -8.559 -0.102 -8.798 1.00 0.00 H new ATOM 372 N GLU A 24 -12.645 2.749 -7.816 1.00 0.00 N ATOM 373 CA GLU A 24 -13.506 3.868 -7.421 1.00 0.00 C ATOM 374 C GLU A 24 -12.724 4.853 -6.546 1.00 0.00 C ATOM 375 O GLU A 24 -12.653 6.049 -6.824 1.00 0.00 O ATOM 376 CB GLU A 24 -14.727 3.295 -6.671 1.00 0.00 C ATOM 377 CG GLU A 24 -15.659 4.368 -6.092 1.00 0.00 C ATOM 378 CD GLU A 24 -16.927 3.739 -5.492 1.00 0.00 C ATOM 379 OE1 GLU A 24 -16.891 3.290 -4.320 1.00 0.00 O ATOM 380 OE2 GLU A 24 -17.974 3.696 -6.180 1.00 0.00 O ATOM 0 H GLU A 24 -13.046 1.832 -7.621 1.00 0.00 H new ATOM 0 HA GLU A 24 -13.848 4.416 -8.299 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -15.296 2.662 -7.352 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -14.377 2.656 -5.861 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -15.133 4.934 -5.324 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -15.936 5.074 -6.875 1.00 0.00 H new ATOM 387 N ASN A 25 -12.082 4.321 -5.509 1.00 0.00 N ATOM 388 CA ASN A 25 -11.348 5.118 -4.537 1.00 0.00 C ATOM 389 C ASN A 25 -10.053 5.676 -5.144 1.00 0.00 C ATOM 390 O ASN A 25 -9.689 6.817 -4.883 1.00 0.00 O ATOM 391 CB ASN A 25 -11.139 4.266 -3.268 1.00 0.00 C ATOM 392 CG ASN A 25 -9.689 4.212 -2.823 1.00 0.00 C ATOM 393 OD1 ASN A 25 -9.225 5.019 -2.028 1.00 0.00 O ATOM 394 ND2 ASN A 25 -8.952 3.270 -3.367 1.00 0.00 N ATOM 0 H ASN A 25 -12.058 3.319 -5.321 1.00 0.00 H new ATOM 0 HA ASN A 25 -11.918 6.001 -4.248 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -11.747 4.673 -2.460 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -11.494 3.253 -3.455 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -7.963 3.196 -3.130 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -9.369 2.613 -4.026 1.00 0.00 H new ATOM 401 N VAL A 26 -9.384 4.916 -6.009 1.00 0.00 N ATOM 402 CA VAL A 26 -8.190 5.366 -6.720 1.00 0.00 C ATOM 403 C VAL A 26 -8.563 6.544 -7.609 1.00 0.00 C ATOM 404 O VAL A 26 -7.957 7.600 -7.504 1.00 0.00 O ATOM 405 CB VAL A 26 -7.631 4.177 -7.513 1.00 0.00 C ATOM 406 CG1 VAL A 26 -6.607 4.569 -8.580 1.00 0.00 C ATOM 407 CG2 VAL A 26 -7.009 3.137 -6.576 1.00 0.00 C ATOM 0 H VAL A 26 -9.659 3.961 -6.238 1.00 0.00 H new ATOM 0 HA VAL A 26 -7.413 5.710 -6.037 1.00 0.00 H new ATOM 0 HB VAL A 26 -8.489 3.752 -8.033 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -6.259 3.674 -9.097 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -7.071 5.246 -9.298 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -5.761 5.067 -8.107 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -6.620 2.305 -7.163 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -6.196 3.595 -6.013 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -7.768 2.770 -5.885 1.00 0.00 H new ATOM 417 N LYS A 27 -9.591 6.422 -8.442 1.00 0.00 N ATOM 418 CA LYS A 27 -10.079 7.520 -9.261 1.00 0.00 C ATOM 419 C LYS A 27 -10.416 8.753 -8.431 1.00 0.00 C ATOM 420 O LYS A 27 -10.152 9.860 -8.895 1.00 0.00 O ATOM 421 CB LYS A 27 -11.324 7.067 -10.029 1.00 0.00 C ATOM 422 CG LYS A 27 -11.117 6.068 -11.173 1.00 0.00 C ATOM 423 CD LYS A 27 -12.500 5.760 -11.776 1.00 0.00 C ATOM 424 CE LYS A 27 -12.413 4.989 -13.098 1.00 0.00 C ATOM 425 NZ LYS A 27 -13.734 4.958 -13.799 1.00 0.00 N ATOM 0 H LYS A 27 -10.110 5.553 -8.567 1.00 0.00 H new ATOM 0 HA LYS A 27 -9.283 7.796 -9.952 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -12.018 6.624 -9.315 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -11.809 7.953 -10.438 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -10.453 6.485 -11.930 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -10.648 5.156 -10.805 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -13.083 5.180 -11.060 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -13.036 6.695 -11.940 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -11.668 5.453 -13.744 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -12.077 3.970 -12.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -13.582 4.846 -14.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -14.297 4.159 -13.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -14.243 5.847 -13.620 1.00 0.00 H new ATOM 439 N ALA A 28 -10.942 8.599 -7.216 1.00 0.00 N ATOM 440 CA ALA A 28 -11.180 9.744 -6.339 1.00 0.00 C ATOM 441 C ALA A 28 -9.860 10.405 -5.931 1.00 0.00 C ATOM 442 O ALA A 28 -9.766 11.630 -5.934 1.00 0.00 O ATOM 443 CB ALA A 28 -11.991 9.319 -5.113 1.00 0.00 C ATOM 0 H ALA A 28 -11.210 7.698 -6.819 1.00 0.00 H new ATOM 0 HA ALA A 28 -11.762 10.484 -6.889 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -12.159 10.183 -4.471 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -12.950 8.913 -5.434 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -11.442 8.557 -4.560 1.00 0.00 H new ATOM 449 N LYS A 29 -8.800 9.623 -5.680 1.00 0.00 N ATOM 450 CA LYS A 29 -7.468 10.190 -5.434 1.00 0.00 C ATOM 451 C LYS A 29 -6.968 10.880 -6.695 1.00 0.00 C ATOM 452 O LYS A 29 -6.356 11.933 -6.626 1.00 0.00 O ATOM 453 CB LYS A 29 -6.484 9.104 -4.981 1.00 0.00 C ATOM 454 CG LYS A 29 -6.892 8.520 -3.625 1.00 0.00 C ATOM 455 CD LYS A 29 -6.016 7.325 -3.239 1.00 0.00 C ATOM 456 CE LYS A 29 -6.451 6.789 -1.863 1.00 0.00 C ATOM 457 NZ LYS A 29 -5.509 7.170 -0.770 1.00 0.00 N ATOM 0 H LYS A 29 -8.839 8.604 -5.642 1.00 0.00 H new ATOM 0 HA LYS A 29 -7.540 10.924 -4.631 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -6.447 8.309 -5.726 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -5.481 9.524 -4.912 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -6.815 9.291 -2.858 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -7.936 8.210 -3.661 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -6.103 6.540 -3.990 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -4.968 7.624 -3.209 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -7.445 7.168 -1.628 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -6.527 5.703 -1.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -5.832 6.755 0.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -4.557 6.815 -0.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -5.481 8.206 -0.682 1.00 0.00 H new ATOM 471 N ILE A 30 -7.275 10.340 -7.872 1.00 0.00 N ATOM 472 CA ILE A 30 -6.823 10.941 -9.128 1.00 0.00 C ATOM 473 C ILE A 30 -7.509 12.282 -9.274 1.00 0.00 C ATOM 474 O ILE A 30 -6.856 13.245 -9.604 1.00 0.00 O ATOM 475 CB ILE A 30 -7.085 10.046 -10.355 1.00 0.00 C ATOM 476 CG1 ILE A 30 -6.476 8.630 -10.294 1.00 0.00 C ATOM 477 CG2 ILE A 30 -6.598 10.748 -11.640 1.00 0.00 C ATOM 478 CD1 ILE A 30 -5.363 8.412 -9.267 1.00 0.00 C ATOM 0 H ILE A 30 -7.831 9.493 -7.984 1.00 0.00 H new ATOM 0 HA ILE A 30 -5.741 11.063 -9.088 1.00 0.00 H new ATOM 0 HB ILE A 30 -8.165 9.902 -10.359 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -7.278 7.922 -10.084 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -6.083 8.384 -11.281 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -6.789 10.106 -12.500 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -7.132 11.690 -11.765 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -5.529 10.945 -11.564 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -5.016 7.380 -9.320 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -4.533 9.085 -9.482 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -5.746 8.616 -8.267 1.00 0.00 H new ATOM 490 N GLN A 31 -8.792 12.390 -8.975 1.00 0.00 N ATOM 491 CA GLN A 31 -9.512 13.652 -8.966 1.00 0.00 C ATOM 492 C GLN A 31 -8.841 14.633 -8.008 1.00 0.00 C ATOM 493 O GLN A 31 -8.738 15.812 -8.332 1.00 0.00 O ATOM 494 CB GLN A 31 -10.979 13.439 -8.579 1.00 0.00 C ATOM 495 CG GLN A 31 -11.821 14.714 -8.804 1.00 0.00 C ATOM 496 CD GLN A 31 -12.478 15.183 -7.510 1.00 0.00 C ATOM 497 OE1 GLN A 31 -11.877 15.872 -6.691 1.00 0.00 O ATOM 498 NE2 GLN A 31 -13.719 14.783 -7.301 1.00 0.00 N ATOM 0 H GLN A 31 -9.373 11.589 -8.727 1.00 0.00 H new ATOM 0 HA GLN A 31 -9.486 14.072 -9.972 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -11.395 12.620 -9.166 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -11.040 13.143 -7.532 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -11.185 15.506 -9.199 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -12.588 14.518 -9.553 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -14.195 14.211 -7.999 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -14.202 15.046 -6.442 1.00 0.00 H new ATOM 507 N ASP A 32 -8.323 14.147 -6.884 1.00 0.00 N ATOM 508 CA ASP A 32 -7.630 15.002 -5.945 1.00 0.00 C ATOM 509 C ASP A 32 -6.303 15.507 -6.533 1.00 0.00 C ATOM 510 O ASP A 32 -5.878 16.611 -6.181 1.00 0.00 O ATOM 511 CB ASP A 32 -7.412 14.285 -4.612 1.00 0.00 C ATOM 512 CG ASP A 32 -6.810 15.238 -3.570 1.00 0.00 C ATOM 513 OD1 ASP A 32 -7.516 16.176 -3.121 1.00 0.00 O ATOM 514 OD2 ASP A 32 -5.642 15.030 -3.162 1.00 0.00 O ATOM 0 H ASP A 32 -8.373 13.166 -6.608 1.00 0.00 H new ATOM 0 HA ASP A 32 -8.258 15.873 -5.755 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -8.361 13.892 -4.246 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -6.749 13.432 -4.757 1.00 0.00 H new ATOM 519 N LYS A 33 -5.672 14.770 -7.475 1.00 0.00 N ATOM 520 CA LYS A 33 -4.352 15.140 -7.999 1.00 0.00 C ATOM 521 C LYS A 33 -4.378 15.687 -9.436 1.00 0.00 C ATOM 522 O LYS A 33 -3.413 16.319 -9.856 1.00 0.00 O ATOM 523 CB LYS A 33 -3.367 14.001 -7.777 1.00 0.00 C ATOM 524 CG LYS A 33 -3.363 13.599 -6.289 1.00 0.00 C ATOM 525 CD LYS A 33 -2.113 12.844 -5.834 1.00 0.00 C ATOM 526 CE LYS A 33 -0.844 13.717 -5.796 1.00 0.00 C ATOM 527 NZ LYS A 33 0.316 13.009 -5.177 1.00 0.00 N ATOM 0 H LYS A 33 -6.060 13.919 -7.882 1.00 0.00 H new ATOM 0 HA LYS A 33 -3.995 15.996 -7.426 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -3.641 13.145 -8.394 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -2.367 14.308 -8.083 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -3.468 14.499 -5.683 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -4.237 12.979 -6.092 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -2.290 12.431 -4.841 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -1.944 12.001 -6.504 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -0.583 14.018 -6.811 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -1.050 14.629 -5.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 1.173 13.589 -5.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 0.126 12.849 -4.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 0.458 12.094 -5.651 1.00 0.00 H new ATOM 541 N GLU A 34 -5.477 15.479 -10.166 1.00 0.00 N ATOM 542 CA GLU A 34 -5.673 15.871 -11.562 1.00 0.00 C ATOM 543 C GLU A 34 -6.834 16.848 -11.726 1.00 0.00 C ATOM 544 O GLU A 34 -6.724 17.814 -12.479 1.00 0.00 O ATOM 545 CB GLU A 34 -5.971 14.617 -12.398 1.00 0.00 C ATOM 546 CG GLU A 34 -4.697 13.842 -12.732 1.00 0.00 C ATOM 547 CD GLU A 34 -3.857 14.655 -13.733 1.00 0.00 C ATOM 548 OE1 GLU A 34 -4.175 14.641 -14.943 1.00 0.00 O ATOM 549 OE2 GLU A 34 -2.902 15.336 -13.294 1.00 0.00 O ATOM 0 H GLU A 34 -6.295 15.009 -9.779 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.761 16.364 -11.898 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -6.657 13.970 -11.851 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -6.473 14.906 -13.321 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.123 13.655 -11.825 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -4.949 12.870 -13.156 1.00 0.00 H new ATOM 556 N GLY A 35 -7.938 16.603 -11.019 1.00 0.00 N ATOM 557 CA GLY A 35 -9.123 17.449 -11.056 1.00 0.00 C ATOM 558 C GLY A 35 -10.162 16.927 -12.044 1.00 0.00 C ATOM 559 O GLY A 35 -10.905 17.724 -12.614 1.00 0.00 O ATOM 0 H GLY A 35 -8.032 15.800 -10.397 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -9.563 17.502 -10.060 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -8.837 18.464 -11.332 1.00 0.00 H new ATOM 563 N ILE A 36 -10.209 15.604 -12.266 1.00 0.00 N ATOM 564 CA ILE A 36 -11.159 14.979 -13.177 1.00 0.00 C ATOM 565 C ILE A 36 -12.033 14.115 -12.292 1.00 0.00 C ATOM 566 O ILE A 36 -11.469 13.312 -11.549 1.00 0.00 O ATOM 567 CB ILE A 36 -10.427 14.100 -14.200 1.00 0.00 C ATOM 568 CG1 ILE A 36 -9.432 14.899 -15.055 1.00 0.00 C ATOM 569 CG2 ILE A 36 -11.442 13.404 -15.126 1.00 0.00 C ATOM 570 CD1 ILE A 36 -8.382 13.939 -15.590 1.00 0.00 C ATOM 0 H ILE A 36 -9.582 14.941 -11.812 1.00 0.00 H new ATOM 0 HA ILE A 36 -11.730 15.718 -13.739 1.00 0.00 H new ATOM 0 HB ILE A 36 -9.863 13.360 -13.633 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -9.949 15.392 -15.878 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -8.962 15.681 -14.459 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -10.910 12.783 -15.847 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -12.108 12.779 -14.531 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -12.027 14.156 -15.656 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -7.665 14.488 -16.201 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -7.862 13.467 -14.756 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -8.865 13.173 -16.197 1.00 0.00 H new ATOM 582 N PRO A 37 -13.365 14.199 -12.367 1.00 0.00 N ATOM 583 CA PRO A 37 -14.240 13.338 -11.589 1.00 0.00 C ATOM 584 C PRO A 37 -13.982 11.863 -11.909 1.00 0.00 C ATOM 585 O PRO A 37 -13.676 11.545 -13.058 1.00 0.00 O ATOM 586 CB PRO A 37 -15.670 13.783 -11.900 1.00 0.00 C ATOM 587 CG PRO A 37 -15.557 14.984 -12.845 1.00 0.00 C ATOM 588 CD PRO A 37 -14.107 15.002 -13.316 1.00 0.00 C ATOM 0 HA PRO A 37 -14.054 13.428 -10.519 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -16.235 12.975 -12.365 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -16.198 14.057 -10.987 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -16.241 14.885 -13.688 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -15.814 15.911 -12.333 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -14.020 14.595 -14.323 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -13.721 16.021 -13.350 1.00 0.00 H new ATOM 596 N PRO A 38 -14.140 10.939 -10.943 1.00 0.00 N ATOM 597 CA PRO A 38 -14.019 9.505 -11.205 1.00 0.00 C ATOM 598 C PRO A 38 -14.895 9.068 -12.360 1.00 0.00 C ATOM 599 O PRO A 38 -14.470 8.287 -13.208 1.00 0.00 O ATOM 600 CB PRO A 38 -14.498 8.798 -9.932 1.00 0.00 C ATOM 601 CG PRO A 38 -14.355 9.840 -8.833 1.00 0.00 C ATOM 602 CD PRO A 38 -14.497 11.180 -9.548 1.00 0.00 C ATOM 0 HA PRO A 38 -12.989 9.261 -11.466 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -15.531 8.465 -10.029 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -13.897 7.914 -9.720 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -15.122 9.716 -8.068 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -13.390 9.758 -8.333 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -15.516 11.558 -9.467 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -13.843 11.930 -9.103 1.00 0.00 H new ATOM 610 N ASP A 39 -16.097 9.635 -12.410 1.00 0.00 N ATOM 611 CA ASP A 39 -17.098 9.233 -13.393 1.00 0.00 C ATOM 612 C ASP A 39 -16.675 9.559 -14.830 1.00 0.00 C ATOM 613 O ASP A 39 -17.189 8.955 -15.767 1.00 0.00 O ATOM 614 CB ASP A 39 -18.451 9.865 -13.040 1.00 0.00 C ATOM 615 CG ASP A 39 -19.588 9.324 -13.931 1.00 0.00 C ATOM 616 OD1 ASP A 39 -19.986 8.143 -13.763 1.00 0.00 O ATOM 617 OD2 ASP A 39 -20.106 10.081 -14.784 1.00 0.00 O ATOM 0 H ASP A 39 -16.402 10.376 -11.779 1.00 0.00 H new ATOM 0 HA ASP A 39 -17.195 8.148 -13.352 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -18.683 9.665 -11.994 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -18.386 10.947 -13.151 1.00 0.00 H new ATOM 622 N GLN A 40 -15.688 10.446 -15.018 1.00 0.00 N ATOM 623 CA GLN A 40 -15.130 10.793 -16.327 1.00 0.00 C ATOM 624 C GLN A 40 -13.792 10.089 -16.579 1.00 0.00 C ATOM 625 O GLN A 40 -13.280 10.167 -17.692 1.00 0.00 O ATOM 626 CB GLN A 40 -15.009 12.328 -16.406 1.00 0.00 C ATOM 627 CG GLN A 40 -14.569 12.912 -17.769 1.00 0.00 C ATOM 628 CD GLN A 40 -15.564 12.654 -18.899 1.00 0.00 C ATOM 629 OE1 GLN A 40 -15.423 11.730 -19.698 1.00 0.00 O ATOM 630 NE2 GLN A 40 -16.599 13.472 -18.983 1.00 0.00 N ATOM 0 H GLN A 40 -15.249 10.951 -14.248 1.00 0.00 H new ATOM 0 HA GLN A 40 -15.795 10.444 -17.117 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -15.974 12.761 -16.144 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -14.297 12.654 -15.648 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -14.424 13.987 -17.663 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -13.604 12.485 -18.042 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -16.702 14.234 -18.313 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -17.294 13.341 -19.718 1.00 0.00 H new ATOM 639 N GLN A 41 -13.191 9.388 -15.614 1.00 0.00 N ATOM 640 CA GLN A 41 -11.934 8.691 -15.848 1.00 0.00 C ATOM 641 C GLN A 41 -12.212 7.319 -16.444 1.00 0.00 C ATOM 642 O GLN A 41 -13.173 6.651 -16.079 1.00 0.00 O ATOM 643 CB GLN A 41 -11.170 8.537 -14.516 1.00 0.00 C ATOM 644 CG GLN A 41 -10.527 9.839 -14.017 1.00 0.00 C ATOM 645 CD GLN A 41 -10.127 9.721 -12.554 1.00 0.00 C ATOM 646 OE1 GLN A 41 -9.472 8.767 -12.177 1.00 0.00 O ATOM 647 NE2 GLN A 41 -10.541 10.630 -11.686 1.00 0.00 N ATOM 0 H GLN A 41 -13.557 9.291 -14.667 1.00 0.00 H new ATOM 0 HA GLN A 41 -11.326 9.268 -16.545 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -11.857 8.167 -13.755 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -10.393 7.783 -14.639 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -9.649 10.070 -14.621 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -11.226 10.666 -14.141 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -11.090 11.428 -12.006 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -10.311 10.533 -10.697 1.00 0.00 H new ATOM 656 N ARG A 42 -11.279 6.854 -17.271 1.00 0.00 N ATOM 657 CA ARG A 42 -11.228 5.523 -17.866 1.00 0.00 C ATOM 658 C ARG A 42 -9.823 5.067 -17.517 1.00 0.00 C ATOM 659 O ARG A 42 -8.865 5.541 -18.104 1.00 0.00 O ATOM 660 CB ARG A 42 -11.551 5.709 -19.362 1.00 0.00 C ATOM 661 CG ARG A 42 -11.737 4.455 -20.236 1.00 0.00 C ATOM 662 CD ARG A 42 -12.664 4.821 -21.425 1.00 0.00 C ATOM 663 NE ARG A 42 -12.801 3.809 -22.491 1.00 0.00 N ATOM 664 CZ ARG A 42 -13.495 3.958 -23.634 1.00 0.00 C ATOM 665 NH1 ARG A 42 -14.235 5.040 -23.878 1.00 0.00 N ATOM 666 NH2 ARG A 42 -13.465 3.023 -24.576 1.00 0.00 N ATOM 0 H ARG A 42 -10.491 7.433 -17.561 1.00 0.00 H new ATOM 0 HA ARG A 42 -11.932 4.766 -17.522 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -12.464 6.300 -19.433 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -10.751 6.304 -19.802 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -10.773 4.101 -20.601 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -12.173 3.646 -19.650 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -13.657 5.036 -21.030 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -12.294 5.742 -21.875 1.00 0.00 H new ATOM 0 HE ARG A 42 -12.327 2.917 -22.348 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -14.288 5.788 -23.187 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -14.748 5.119 -24.756 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -12.911 2.178 -24.438 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -13.996 3.150 -25.437 1.00 0.00 H new ATOM 680 N LEU A 43 -9.670 4.348 -16.413 1.00 0.00 N ATOM 681 CA LEU A 43 -8.348 4.042 -15.864 1.00 0.00 C ATOM 682 C LEU A 43 -7.875 2.824 -16.616 1.00 0.00 C ATOM 683 O LEU A 43 -8.669 1.923 -16.860 1.00 0.00 O ATOM 684 CB LEU A 43 -8.459 3.765 -14.346 1.00 0.00 C ATOM 685 CG LEU A 43 -7.322 4.364 -13.502 1.00 0.00 C ATOM 686 CD1 LEU A 43 -7.266 5.902 -13.586 1.00 0.00 C ATOM 687 CD2 LEU A 43 -7.595 3.983 -12.044 1.00 0.00 C ATOM 0 H LEU A 43 -10.446 3.963 -15.875 1.00 0.00 H new ATOM 0 HA LEU A 43 -7.646 4.868 -15.978 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -9.409 4.161 -13.986 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -8.483 2.687 -14.187 1.00 0.00 H new ATOM 0 HG LEU A 43 -6.374 3.977 -13.877 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -6.445 6.270 -12.971 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -7.108 6.204 -14.621 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -8.206 6.321 -13.225 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -6.809 4.390 -11.408 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -8.558 4.390 -11.736 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -7.613 2.897 -11.949 1.00 0.00 H new ATOM 699 N ILE A 44 -6.608 2.780 -16.993 1.00 0.00 N ATOM 700 CA ILE A 44 -6.051 1.682 -17.775 1.00 0.00 C ATOM 701 C ILE A 44 -4.837 1.164 -17.020 1.00 0.00 C ATOM 702 O ILE A 44 -4.161 1.920 -16.323 1.00 0.00 O ATOM 703 CB ILE A 44 -5.776 2.149 -19.228 1.00 0.00 C ATOM 704 CG1 ILE A 44 -7.102 2.668 -19.830 1.00 0.00 C ATOM 705 CG2 ILE A 44 -5.150 1.043 -20.101 1.00 0.00 C ATOM 706 CD1 ILE A 44 -7.160 2.862 -21.349 1.00 0.00 C ATOM 0 H ILE A 44 -5.931 3.508 -16.765 1.00 0.00 H new ATOM 0 HA ILE A 44 -6.745 0.849 -17.887 1.00 0.00 H new ATOM 0 HB ILE A 44 -5.038 2.950 -19.206 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -7.894 1.974 -19.549 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -7.334 3.623 -19.360 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -4.980 1.426 -21.107 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -4.201 0.730 -19.666 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -5.827 0.190 -20.148 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -8.147 3.229 -21.631 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -6.403 3.585 -21.653 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -6.972 1.910 -21.845 1.00 0.00 H new ATOM 718 N PHE A 45 -4.545 -0.122 -17.179 1.00 0.00 N ATOM 719 CA PHE A 45 -3.331 -0.739 -16.688 1.00 0.00 C ATOM 720 C PHE A 45 -2.908 -1.786 -17.700 1.00 0.00 C ATOM 721 O PHE A 45 -3.679 -2.702 -17.957 1.00 0.00 O ATOM 722 CB PHE A 45 -3.609 -1.393 -15.334 1.00 0.00 C ATOM 723 CG PHE A 45 -2.454 -2.223 -14.841 1.00 0.00 C ATOM 724 CD1 PHE A 45 -1.235 -1.585 -14.585 1.00 0.00 C ATOM 725 CD2 PHE A 45 -2.573 -3.616 -14.683 1.00 0.00 C ATOM 726 CE1 PHE A 45 -0.133 -2.331 -14.139 1.00 0.00 C ATOM 727 CE2 PHE A 45 -1.480 -4.361 -14.212 1.00 0.00 C ATOM 728 CZ PHE A 45 -0.265 -3.715 -13.928 1.00 0.00 C ATOM 0 H PHE A 45 -5.162 -0.773 -17.664 1.00 0.00 H new ATOM 0 HA PHE A 45 -2.540 -0.001 -16.559 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -3.834 -0.619 -14.601 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -4.495 -2.023 -15.414 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -1.142 -0.519 -14.731 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -3.502 -4.111 -14.923 1.00 0.00 H new ATOM 0 HE1 PHE A 45 0.814 -1.844 -13.958 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -1.573 -5.427 -14.068 1.00 0.00 H new ATOM 0 HZ PHE A 45 0.570 -4.283 -13.546 1.00 0.00 H new ATOM 738 N ALA A 46 -1.719 -1.651 -18.298 1.00 0.00 N ATOM 739 CA ALA A 46 -1.155 -2.623 -19.249 1.00 0.00 C ATOM 740 C ALA A 46 -2.134 -3.024 -20.372 1.00 0.00 C ATOM 741 O ALA A 46 -2.173 -4.170 -20.826 1.00 0.00 O ATOM 742 CB ALA A 46 -0.637 -3.826 -18.457 1.00 0.00 C ATOM 0 H ALA A 46 -1.109 -0.850 -18.134 1.00 0.00 H new ATOM 0 HA ALA A 46 -0.327 -2.153 -19.780 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -0.214 -4.559 -19.144 1.00 0.00 H new ATOM 0 HB2 ALA A 46 0.132 -3.498 -17.758 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -1.460 -4.279 -17.904 1.00 0.00 H new ATOM 748 N GLY A 47 -2.973 -2.069 -20.776 1.00 0.00 N ATOM 749 CA GLY A 47 -3.981 -2.211 -21.830 1.00 0.00 C ATOM 750 C GLY A 47 -5.363 -2.634 -21.327 1.00 0.00 C ATOM 751 O GLY A 47 -6.316 -2.601 -22.101 1.00 0.00 O ATOM 0 H GLY A 47 -2.969 -1.137 -20.361 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -4.074 -1.262 -22.358 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -3.631 -2.946 -22.555 1.00 0.00 H new ATOM 755 N LYS A 48 -5.504 -2.991 -20.047 1.00 0.00 N ATOM 756 CA LYS A 48 -6.783 -3.372 -19.455 1.00 0.00 C ATOM 757 C LYS A 48 -7.397 -2.112 -18.897 1.00 0.00 C ATOM 758 O LYS A 48 -6.771 -1.431 -18.107 1.00 0.00 O ATOM 759 CB LYS A 48 -6.604 -4.401 -18.318 1.00 0.00 C ATOM 760 CG LYS A 48 -6.364 -5.831 -18.821 1.00 0.00 C ATOM 761 CD LYS A 48 -4.971 -6.060 -19.429 1.00 0.00 C ATOM 762 CE LYS A 48 -4.757 -7.550 -19.729 1.00 0.00 C ATOM 763 NZ LYS A 48 -3.419 -7.818 -20.322 1.00 0.00 N ATOM 0 H LYS A 48 -4.725 -3.023 -19.390 1.00 0.00 H new ATOM 0 HA LYS A 48 -7.415 -3.836 -20.212 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.764 -4.098 -17.693 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -7.492 -4.391 -17.686 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -6.504 -6.524 -17.992 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -7.119 -6.072 -19.569 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -4.867 -5.479 -20.346 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -4.204 -5.707 -18.740 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -4.866 -8.123 -18.808 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -5.532 -7.896 -20.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -3.319 -8.836 -20.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -3.323 -7.292 -21.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -2.678 -7.513 -19.659 1.00 0.00 H new ATOM 777 N GLN A 49 -8.594 -1.765 -19.322 1.00 0.00 N ATOM 778 CA GLN A 49 -9.382 -0.706 -18.701 1.00 0.00 C ATOM 779 C GLN A 49 -9.950 -1.295 -17.410 1.00 0.00 C ATOM 780 O GLN A 49 -10.350 -2.463 -17.388 1.00 0.00 O ATOM 781 CB GLN A 49 -10.518 -0.298 -19.648 1.00 0.00 C ATOM 782 CG GLN A 49 -9.970 0.447 -20.870 1.00 0.00 C ATOM 783 CD GLN A 49 -10.967 0.514 -22.024 1.00 0.00 C ATOM 784 OE1 GLN A 49 -11.961 1.226 -21.944 1.00 0.00 O ATOM 785 NE2 GLN A 49 -10.715 -0.167 -23.127 1.00 0.00 N ATOM 0 H GLN A 49 -9.057 -2.210 -20.115 1.00 0.00 H new ATOM 0 HA GLN A 49 -8.782 0.180 -18.493 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -11.063 -1.185 -19.972 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -11.228 0.337 -19.118 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -9.693 1.460 -20.577 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -9.060 -0.046 -21.211 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -9.885 -0.757 -23.184 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -11.350 -0.103 -23.922 1.00 0.00 H new ATOM 794 N LEU A 50 -9.984 -0.493 -16.346 1.00 0.00 N ATOM 795 CA LEU A 50 -10.347 -0.963 -15.006 1.00 0.00 C ATOM 796 C LEU A 50 -11.681 -0.333 -14.630 1.00 0.00 C ATOM 797 O LEU A 50 -11.831 0.884 -14.774 1.00 0.00 O ATOM 798 CB LEU A 50 -9.255 -0.632 -13.964 1.00 0.00 C ATOM 799 CG LEU A 50 -7.795 -0.651 -14.438 1.00 0.00 C ATOM 800 CD1 LEU A 50 -6.860 -0.260 -13.286 1.00 0.00 C ATOM 801 CD2 LEU A 50 -7.362 -1.999 -15.007 1.00 0.00 C ATOM 0 H LEU A 50 -9.761 0.501 -16.387 1.00 0.00 H new ATOM 0 HA LEU A 50 -10.436 -2.049 -15.014 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -9.465 0.358 -13.560 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -9.351 -1.339 -13.140 1.00 0.00 H new ATOM 0 HG LEU A 50 -7.727 0.076 -15.248 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -5.827 -0.277 -13.634 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -7.110 0.743 -12.939 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -6.978 -0.968 -12.465 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -6.320 -1.943 -15.323 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -7.468 -2.768 -14.242 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -7.988 -2.250 -15.863 1.00 0.00 H new ATOM 813 N GLU A 51 -12.633 -1.135 -14.142 1.00 0.00 N ATOM 814 CA GLU A 51 -13.931 -0.630 -13.718 1.00 0.00 C ATOM 815 C GLU A 51 -13.882 -0.303 -12.228 1.00 0.00 C ATOM 816 O GLU A 51 -13.067 -0.842 -11.482 1.00 0.00 O ATOM 817 CB GLU A 51 -15.086 -1.560 -14.134 1.00 0.00 C ATOM 818 CG GLU A 51 -15.254 -2.803 -13.257 1.00 0.00 C ATOM 819 CD GLU A 51 -16.315 -3.772 -13.805 1.00 0.00 C ATOM 820 OE1 GLU A 51 -17.523 -3.431 -13.783 1.00 0.00 O ATOM 821 OE2 GLU A 51 -15.947 -4.892 -14.233 1.00 0.00 O ATOM 0 H GLU A 51 -12.522 -2.143 -14.033 1.00 0.00 H new ATOM 0 HA GLU A 51 -14.150 0.300 -14.242 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -16.016 -0.992 -14.117 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -14.925 -1.878 -15.164 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -14.298 -3.321 -13.180 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -15.532 -2.497 -12.249 1.00 0.00 H new ATOM 828 N ASP A 52 -14.776 0.583 -11.798 1.00 0.00 N ATOM 829 CA ASP A 52 -14.795 1.219 -10.479 1.00 0.00 C ATOM 830 C ASP A 52 -14.836 0.192 -9.352 1.00 0.00 C ATOM 831 O ASP A 52 -14.180 0.370 -8.326 1.00 0.00 O ATOM 832 CB ASP A 52 -16.006 2.166 -10.384 1.00 0.00 C ATOM 833 CG ASP A 52 -15.718 3.523 -11.038 1.00 0.00 C ATOM 834 OD1 ASP A 52 -15.517 3.552 -12.273 1.00 0.00 O ATOM 835 OD2 ASP A 52 -15.646 4.552 -10.327 1.00 0.00 O ATOM 0 H ASP A 52 -15.547 0.894 -12.388 1.00 0.00 H new ATOM 0 HA ASP A 52 -13.872 1.787 -10.364 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -16.867 1.705 -10.867 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -16.270 2.315 -9.337 1.00 0.00 H new ATOM 840 N GLY A 53 -15.567 -0.905 -9.568 1.00 0.00 N ATOM 841 CA GLY A 53 -15.831 -1.913 -8.553 1.00 0.00 C ATOM 842 C GLY A 53 -14.687 -2.902 -8.333 1.00 0.00 C ATOM 843 O GLY A 53 -14.847 -3.841 -7.554 1.00 0.00 O ATOM 0 H GLY A 53 -15.996 -1.115 -10.469 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -16.049 -1.413 -7.609 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -16.726 -2.468 -8.834 1.00 0.00 H new ATOM 847 N ARG A 54 -13.552 -2.742 -9.021 1.00 0.00 N ATOM 848 CA ARG A 54 -12.432 -3.678 -8.957 1.00 0.00 C ATOM 849 C ARG A 54 -11.315 -3.062 -8.154 1.00 0.00 C ATOM 850 O ARG A 54 -11.419 -1.905 -7.768 1.00 0.00 O ATOM 851 CB ARG A 54 -12.039 -4.042 -10.388 1.00 0.00 C ATOM 852 CG ARG A 54 -13.110 -4.962 -10.998 1.00 0.00 C ATOM 853 CD ARG A 54 -12.746 -5.430 -12.406 1.00 0.00 C ATOM 854 NE ARG A 54 -13.817 -6.243 -13.003 1.00 0.00 N ATOM 855 CZ ARG A 54 -13.932 -7.574 -12.983 1.00 0.00 C ATOM 856 NH1 ARG A 54 -13.039 -8.337 -12.359 1.00 0.00 N ATOM 857 NH2 ARG A 54 -14.963 -8.142 -13.599 1.00 0.00 N ATOM 0 H ARG A 54 -13.386 -1.951 -9.643 1.00 0.00 H new ATOM 0 HA ARG A 54 -12.696 -4.604 -8.446 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -11.936 -3.138 -10.989 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -11.070 -4.541 -10.394 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -13.248 -5.831 -10.354 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -14.063 -4.434 -11.029 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -12.551 -4.564 -13.038 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -11.825 -6.012 -12.369 1.00 0.00 H new ATOM 0 HE ARG A 54 -14.556 -5.733 -13.487 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -12.246 -7.908 -11.882 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -13.147 -9.351 -12.357 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -15.653 -7.563 -14.078 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -15.065 -9.157 -13.593 1.00 0.00 H new ATOM 871 N THR A 55 -10.238 -3.789 -7.900 1.00 0.00 N ATOM 872 CA THR A 55 -9.157 -3.335 -7.041 1.00 0.00 C ATOM 873 C THR A 55 -7.840 -3.493 -7.761 1.00 0.00 C ATOM 874 O THR A 55 -7.757 -4.175 -8.779 1.00 0.00 O ATOM 875 CB THR A 55 -9.148 -4.137 -5.732 1.00 0.00 C ATOM 876 OG1 THR A 55 -9.206 -5.515 -6.027 1.00 0.00 O ATOM 877 CG2 THR A 55 -10.310 -3.811 -4.802 1.00 0.00 C ATOM 0 H THR A 55 -10.089 -4.720 -8.289 1.00 0.00 H new ATOM 0 HA THR A 55 -9.308 -2.283 -6.800 1.00 0.00 H new ATOM 0 HB THR A 55 -8.227 -3.863 -5.218 1.00 0.00 H new ATOM 0 HG1 THR A 55 -8.418 -5.963 -5.653 1.00 0.00 H new ATOM 0 HG21 THR A 55 -10.235 -4.417 -3.899 1.00 0.00 H new ATOM 0 HG22 THR A 55 -10.276 -2.755 -4.534 1.00 0.00 H new ATOM 0 HG23 THR A 55 -11.252 -4.027 -5.307 1.00 0.00 H new ATOM 885 N LEU A 56 -6.790 -2.888 -7.217 1.00 0.00 N ATOM 886 CA LEU A 56 -5.458 -2.993 -7.810 1.00 0.00 C ATOM 887 C LEU A 56 -5.026 -4.461 -7.824 1.00 0.00 C ATOM 888 O LEU A 56 -4.527 -4.974 -8.823 1.00 0.00 O ATOM 889 CB LEU A 56 -4.484 -2.071 -7.045 1.00 0.00 C ATOM 890 CG LEU A 56 -4.955 -0.610 -6.968 1.00 0.00 C ATOM 891 CD1 LEU A 56 -3.870 0.258 -6.347 1.00 0.00 C ATOM 892 CD2 LEU A 56 -5.294 -0.051 -8.355 1.00 0.00 C ATOM 0 H LEU A 56 -6.833 -2.322 -6.370 1.00 0.00 H new ATOM 0 HA LEU A 56 -5.460 -2.656 -8.846 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -4.351 -2.455 -6.034 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -3.508 -2.105 -7.530 1.00 0.00 H new ATOM 0 HG LEU A 56 -5.854 -0.592 -6.352 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -4.214 1.291 -6.297 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -3.649 -0.100 -5.341 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -2.968 0.205 -6.957 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -5.623 0.984 -8.260 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -4.409 -0.093 -8.991 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -6.091 -0.645 -8.802 1.00 0.00 H new ATOM 904 N SER A 57 -5.328 -5.164 -6.744 1.00 0.00 N ATOM 905 CA SER A 57 -5.137 -6.589 -6.576 1.00 0.00 C ATOM 906 C SER A 57 -5.921 -7.418 -7.589 1.00 0.00 C ATOM 907 O SER A 57 -5.405 -8.442 -8.041 1.00 0.00 O ATOM 908 CB SER A 57 -5.547 -6.979 -5.160 1.00 0.00 C ATOM 909 OG SER A 57 -6.807 -6.426 -4.797 1.00 0.00 O ATOM 0 H SER A 57 -5.736 -4.727 -5.917 1.00 0.00 H new ATOM 0 HA SER A 57 -4.082 -6.803 -6.747 1.00 0.00 H new ATOM 0 HB2 SER A 57 -5.592 -8.065 -5.082 1.00 0.00 H new ATOM 0 HB3 SER A 57 -4.786 -6.640 -4.456 1.00 0.00 H new ATOM 0 HG SER A 57 -6.680 -5.514 -4.463 1.00 0.00 H new ATOM 915 N ASP A 58 -7.116 -6.978 -8.015 1.00 0.00 N ATOM 916 CA ASP A 58 -7.893 -7.706 -9.015 1.00 0.00 C ATOM 917 C ASP A 58 -7.202 -7.686 -10.384 1.00 0.00 C ATOM 918 O ASP A 58 -7.500 -8.501 -11.260 1.00 0.00 O ATOM 919 CB ASP A 58 -9.296 -7.121 -9.113 1.00 0.00 C ATOM 920 CG ASP A 58 -10.219 -8.052 -9.914 1.00 0.00 C ATOM 921 OD1 ASP A 58 -10.426 -9.217 -9.492 1.00 0.00 O ATOM 922 OD2 ASP A 58 -10.796 -7.610 -10.932 1.00 0.00 O ATOM 0 H ASP A 58 -7.559 -6.123 -7.680 1.00 0.00 H new ATOM 0 HA ASP A 58 -7.964 -8.747 -8.698 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -9.703 -6.970 -8.113 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -9.255 -6.142 -9.591 1.00 0.00 H new ATOM 927 N TYR A 59 -6.214 -6.794 -10.526 1.00 0.00 N ATOM 928 CA TYR A 59 -5.386 -6.598 -11.709 1.00 0.00 C ATOM 929 C TYR A 59 -3.916 -6.961 -11.436 1.00 0.00 C ATOM 930 O TYR A 59 -3.063 -6.783 -12.304 1.00 0.00 O ATOM 931 CB TYR A 59 -5.582 -5.153 -12.183 1.00 0.00 C ATOM 932 CG TYR A 59 -6.953 -4.924 -12.789 1.00 0.00 C ATOM 933 CD1 TYR A 59 -7.221 -5.448 -14.066 1.00 0.00 C ATOM 934 CD2 TYR A 59 -7.966 -4.233 -12.083 1.00 0.00 C ATOM 935 CE1 TYR A 59 -8.486 -5.286 -14.650 1.00 0.00 C ATOM 936 CE2 TYR A 59 -9.241 -4.098 -12.647 1.00 0.00 C ATOM 937 CZ TYR A 59 -9.503 -4.610 -13.942 1.00 0.00 C ATOM 938 OH TYR A 59 -10.727 -4.428 -14.512 1.00 0.00 O ATOM 0 H TYR A 59 -5.961 -6.156 -9.771 1.00 0.00 H new ATOM 0 HA TYR A 59 -5.691 -7.271 -12.510 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -5.442 -4.475 -11.341 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -4.817 -4.908 -12.920 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -6.447 -5.979 -14.601 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -7.757 -3.811 -11.111 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -8.681 -5.677 -15.638 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -10.026 -3.603 -12.094 1.00 0.00 H new ATOM 0 HH TYR A 59 -11.124 -5.300 -14.721 1.00 0.00 H new ATOM 948 N ASN A 60 -3.619 -7.515 -10.247 1.00 0.00 N ATOM 949 CA ASN A 60 -2.289 -7.929 -9.766 1.00 0.00 C ATOM 950 C ASN A 60 -1.279 -6.773 -9.780 1.00 0.00 C ATOM 951 O ASN A 60 -0.063 -6.979 -9.812 1.00 0.00 O ATOM 952 CB ASN A 60 -1.776 -9.201 -10.469 1.00 0.00 C ATOM 953 CG ASN A 60 -2.549 -10.454 -10.072 1.00 0.00 C ATOM 954 OD1 ASN A 60 -2.031 -11.334 -9.389 1.00 0.00 O ATOM 955 ND2 ASN A 60 -3.806 -10.560 -10.477 1.00 0.00 N ATOM 0 H ASN A 60 -4.345 -7.697 -9.554 1.00 0.00 H new ATOM 0 HA ASN A 60 -2.406 -8.205 -8.718 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -1.844 -9.065 -11.548 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -0.721 -9.341 -10.231 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -4.357 -11.380 -10.222 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -4.223 -9.822 -11.044 1.00 0.00 H new ATOM 962 N ILE A 61 -1.789 -5.542 -9.746 1.00 0.00 N ATOM 963 CA ILE A 61 -1.015 -4.328 -9.532 1.00 0.00 C ATOM 964 C ILE A 61 -0.530 -4.400 -8.084 1.00 0.00 C ATOM 965 O ILE A 61 -1.255 -4.877 -7.207 1.00 0.00 O ATOM 966 CB ILE A 61 -1.930 -3.111 -9.779 1.00 0.00 C ATOM 967 CG1 ILE A 61 -2.431 -3.063 -11.232 1.00 0.00 C ATOM 968 CG2 ILE A 61 -1.267 -1.760 -9.429 1.00 0.00 C ATOM 969 CD1 ILE A 61 -3.712 -2.249 -11.370 1.00 0.00 C ATOM 0 H ILE A 61 -2.785 -5.361 -9.871 1.00 0.00 H new ATOM 0 HA ILE A 61 -0.164 -4.231 -10.206 1.00 0.00 H new ATOM 0 HB ILE A 61 -2.773 -3.252 -9.103 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -1.658 -2.632 -11.868 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -2.607 -4.078 -11.588 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -1.967 -0.949 -9.627 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -0.992 -1.752 -8.374 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -0.373 -1.625 -10.038 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -4.029 -2.243 -12.413 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -4.494 -2.695 -10.756 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -3.530 -1.226 -11.040 1.00 0.00 H new ATOM 981 N GLN A 62 0.685 -3.929 -7.821 1.00 0.00 N ATOM 982 CA GLN A 62 1.311 -3.933 -6.503 1.00 0.00 C ATOM 983 C GLN A 62 1.877 -2.529 -6.259 1.00 0.00 C ATOM 984 O GLN A 62 1.555 -1.583 -6.970 1.00 0.00 O ATOM 985 CB GLN A 62 2.414 -5.018 -6.476 1.00 0.00 C ATOM 986 CG GLN A 62 1.887 -6.428 -6.761 1.00 0.00 C ATOM 987 CD GLN A 62 1.140 -7.054 -5.580 1.00 0.00 C ATOM 988 OE1 GLN A 62 1.743 -7.693 -4.720 1.00 0.00 O ATOM 989 NE2 GLN A 62 -0.176 -6.901 -5.502 1.00 0.00 N ATOM 0 H GLN A 62 1.280 -3.521 -8.542 1.00 0.00 H new ATOM 0 HA GLN A 62 0.600 -4.170 -5.712 1.00 0.00 H new ATOM 0 HB2 GLN A 62 3.178 -4.768 -7.212 1.00 0.00 H new ATOM 0 HB3 GLN A 62 2.898 -5.009 -5.499 1.00 0.00 H new ATOM 0 HG2 GLN A 62 1.221 -6.390 -7.623 1.00 0.00 H new ATOM 0 HG3 GLN A 62 2.724 -7.071 -7.033 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -0.671 -6.370 -6.218 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -0.692 -7.315 -4.726 1.00 0.00 H new ATOM 998 N LYS A 63 2.705 -2.372 -5.231 1.00 0.00 N ATOM 999 CA LYS A 63 3.499 -1.176 -4.993 1.00 0.00 C ATOM 1000 C LYS A 63 4.372 -0.862 -6.199 1.00 0.00 C ATOM 1001 O LYS A 63 4.707 -1.726 -7.005 1.00 0.00 O ATOM 1002 CB LYS A 63 4.398 -1.381 -3.753 1.00 0.00 C ATOM 1003 CG LYS A 63 5.338 -2.590 -3.887 1.00 0.00 C ATOM 1004 CD LYS A 63 6.847 -2.291 -3.864 1.00 0.00 C ATOM 1005 CE LYS A 63 7.342 -1.838 -2.477 1.00 0.00 C ATOM 1006 NZ LYS A 63 8.813 -1.619 -2.463 1.00 0.00 N ATOM 0 H LYS A 63 2.844 -3.093 -4.523 1.00 0.00 H new ATOM 0 HA LYS A 63 2.819 -0.342 -4.822 1.00 0.00 H new ATOM 0 HB2 LYS A 63 4.992 -0.482 -3.589 1.00 0.00 H new ATOM 0 HB3 LYS A 63 3.769 -1.512 -2.873 1.00 0.00 H new ATOM 0 HG2 LYS A 63 5.116 -3.286 -3.079 1.00 0.00 H new ATOM 0 HG3 LYS A 63 5.106 -3.101 -4.821 1.00 0.00 H new ATOM 0 HD2 LYS A 63 7.395 -3.183 -4.167 1.00 0.00 H new ATOM 0 HD3 LYS A 63 7.071 -1.515 -4.596 1.00 0.00 H new ATOM 0 HE2 LYS A 63 6.834 -0.917 -2.192 1.00 0.00 H new ATOM 0 HE3 LYS A 63 7.079 -2.590 -1.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 9.100 -1.250 -1.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 9.300 -2.520 -2.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 9.069 -0.933 -3.202 1.00 0.00 H new ATOM 1020 N GLU A 64 4.776 0.405 -6.226 1.00 0.00 N ATOM 1021 CA GLU A 64 5.640 1.029 -7.219 1.00 0.00 C ATOM 1022 C GLU A 64 5.272 0.524 -8.620 1.00 0.00 C ATOM 1023 O GLU A 64 6.122 0.060 -9.380 1.00 0.00 O ATOM 1024 CB GLU A 64 7.129 0.850 -6.869 1.00 0.00 C ATOM 1025 CG GLU A 64 7.574 1.411 -5.520 1.00 0.00 C ATOM 1026 CD GLU A 64 9.067 1.144 -5.254 1.00 0.00 C ATOM 1027 OE1 GLU A 64 9.935 1.843 -5.831 1.00 0.00 O ATOM 1028 OE2 GLU A 64 9.379 0.245 -4.433 1.00 0.00 O ATOM 0 H GLU A 64 4.488 1.066 -5.505 1.00 0.00 H new ATOM 0 HA GLU A 64 5.475 2.106 -7.214 1.00 0.00 H new ATOM 0 HB2 GLU A 64 7.361 -0.215 -6.891 1.00 0.00 H new ATOM 0 HB3 GLU A 64 7.724 1.322 -7.650 1.00 0.00 H new ATOM 0 HG2 GLU A 64 7.386 2.484 -5.493 1.00 0.00 H new ATOM 0 HG3 GLU A 64 6.977 0.963 -4.725 1.00 0.00 H new ATOM 1035 N SER A 65 3.968 0.571 -8.914 1.00 0.00 N ATOM 1036 CA SER A 65 3.432 0.042 -10.176 1.00 0.00 C ATOM 1037 C SER A 65 2.740 1.164 -10.922 1.00 0.00 C ATOM 1038 O SER A 65 2.179 2.061 -10.294 1.00 0.00 O ATOM 1039 CB SER A 65 2.481 -1.133 -9.930 1.00 0.00 C ATOM 1040 OG SER A 65 3.161 -2.260 -9.405 1.00 0.00 O ATOM 0 H SER A 65 3.262 0.970 -8.295 1.00 0.00 H new ATOM 0 HA SER A 65 4.253 -0.342 -10.782 1.00 0.00 H new ATOM 0 HB2 SER A 65 1.697 -0.827 -9.238 1.00 0.00 H new ATOM 0 HB3 SER A 65 1.992 -1.407 -10.865 1.00 0.00 H new ATOM 0 HG SER A 65 3.658 -1.998 -8.602 1.00 0.00 H new ATOM 1046 N THR A 66 2.769 1.116 -12.249 1.00 0.00 N ATOM 1047 CA THR A 66 2.338 2.223 -13.094 1.00 0.00 C ATOM 1048 C THR A 66 0.951 1.949 -13.665 1.00 0.00 C ATOM 1049 O THR A 66 0.647 0.832 -14.059 1.00 0.00 O ATOM 1050 CB THR A 66 3.388 2.473 -14.203 1.00 0.00 C ATOM 1051 OG1 THR A 66 4.677 2.534 -13.614 1.00 0.00 O ATOM 1052 CG2 THR A 66 3.153 3.767 -14.999 1.00 0.00 C ATOM 0 H THR A 66 3.094 0.303 -12.772 1.00 0.00 H new ATOM 0 HA THR A 66 2.263 3.131 -12.496 1.00 0.00 H new ATOM 0 HB THR A 66 3.299 1.645 -14.906 1.00 0.00 H new ATOM 0 HG1 THR A 66 5.348 2.691 -14.311 1.00 0.00 H new ATOM 0 HG21 THR A 66 3.928 3.873 -15.758 1.00 0.00 H new ATOM 0 HG22 THR A 66 2.177 3.725 -15.482 1.00 0.00 H new ATOM 0 HG23 THR A 66 3.187 4.621 -14.323 1.00 0.00 H new ATOM 1060 N LEU A 67 0.132 2.994 -13.728 1.00 0.00 N ATOM 1061 CA LEU A 67 -1.237 3.033 -14.233 1.00 0.00 C ATOM 1062 C LEU A 67 -1.354 4.074 -15.344 1.00 0.00 C ATOM 1063 O LEU A 67 -0.432 4.862 -15.529 1.00 0.00 O ATOM 1064 CB LEU A 67 -2.137 3.457 -13.055 1.00 0.00 C ATOM 1065 CG LEU A 67 -3.332 2.548 -12.823 1.00 0.00 C ATOM 1066 CD1 LEU A 67 -2.876 1.195 -12.289 1.00 0.00 C ATOM 1067 CD2 LEU A 67 -4.264 3.186 -11.800 1.00 0.00 C ATOM 0 H LEU A 67 0.433 3.912 -13.400 1.00 0.00 H new ATOM 0 HA LEU A 67 -1.527 2.061 -14.633 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.536 3.487 -12.146 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -2.496 4.471 -13.233 1.00 0.00 H new ATOM 0 HG LEU A 67 -3.850 2.407 -13.772 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -3.744 0.556 -12.128 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -2.208 0.725 -13.011 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.349 1.335 -11.345 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -5.122 2.534 -11.633 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -3.730 3.330 -10.861 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -4.608 4.150 -12.173 1.00 0.00 H new ATOM 1079 N HIS A 68 -2.519 4.181 -15.995 1.00 0.00 N ATOM 1080 CA HIS A 68 -2.735 5.171 -17.061 1.00 0.00 C ATOM 1081 C HIS A 68 -4.055 5.905 -16.861 1.00 0.00 C ATOM 1082 O HIS A 68 -5.077 5.270 -16.615 1.00 0.00 O ATOM 1083 CB HIS A 68 -2.735 4.470 -18.434 1.00 0.00 C ATOM 1084 CG HIS A 68 -1.400 4.367 -19.127 1.00 0.00 C ATOM 1085 ND1 HIS A 68 -0.928 3.219 -19.763 1.00 0.00 N ATOM 1086 CD2 HIS A 68 -0.537 5.399 -19.363 1.00 0.00 C ATOM 1087 CE1 HIS A 68 0.228 3.580 -20.347 1.00 0.00 C ATOM 1088 NE2 HIS A 68 0.495 4.875 -20.112 1.00 0.00 N ATOM 0 H HIS A 68 -3.330 3.593 -15.802 1.00 0.00 H new ATOM 0 HA HIS A 68 -1.924 5.899 -17.022 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -3.133 3.463 -18.305 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -3.422 5.003 -19.091 1.00 0.00 H new ATOM 0 HD1 HIS A 68 -1.368 2.299 -19.781 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -0.642 6.421 -19.030 1.00 0.00 H new ATOM 0 HE1 HIS A 68 0.856 2.919 -20.926 1.00 0.00 H new ATOM 1096 N LEU A 69 -4.044 7.237 -17.009 1.00 0.00 N ATOM 1097 CA LEU A 69 -5.263 8.051 -17.075 1.00 0.00 C ATOM 1098 C LEU A 69 -5.647 8.142 -18.533 1.00 0.00 C ATOM 1099 O LEU A 69 -4.894 8.687 -19.330 1.00 0.00 O ATOM 1100 CB LEU A 69 -5.054 9.473 -16.479 1.00 0.00 C ATOM 1101 CG LEU A 69 -5.755 10.739 -17.102 1.00 0.00 C ATOM 1102 CD1 LEU A 69 -7.239 10.545 -17.439 1.00 0.00 C ATOM 1103 CD2 LEU A 69 -5.688 11.844 -16.053 1.00 0.00 C ATOM 0 H LEU A 69 -3.185 7.781 -17.087 1.00 0.00 H new ATOM 0 HA LEU A 69 -6.050 7.587 -16.480 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -5.357 9.426 -15.433 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -3.981 9.667 -16.491 1.00 0.00 H new ATOM 0 HG LEU A 69 -5.238 10.961 -18.035 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -7.639 11.466 -17.862 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -7.345 9.737 -18.163 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -7.788 10.294 -16.532 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -6.163 12.744 -16.442 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -6.207 11.521 -15.150 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.646 12.058 -15.816 1.00 0.00 H new ATOM 1115 N VAL A 70 -6.854 7.681 -18.833 1.00 0.00 N ATOM 1116 CA VAL A 70 -7.529 7.858 -20.103 1.00 0.00 C ATOM 1117 C VAL A 70 -8.906 8.428 -19.738 1.00 0.00 C ATOM 1118 O VAL A 70 -9.342 8.345 -18.593 1.00 0.00 O ATOM 1119 CB VAL A 70 -7.460 6.504 -20.836 1.00 0.00 C ATOM 1120 CG1 VAL A 70 -8.285 6.497 -22.106 1.00 0.00 C ATOM 1121 CG2 VAL A 70 -5.995 6.154 -21.165 1.00 0.00 C ATOM 0 H VAL A 70 -7.411 7.150 -18.164 1.00 0.00 H new ATOM 0 HA VAL A 70 -7.097 8.560 -20.816 1.00 0.00 H new ATOM 0 HB VAL A 70 -7.879 5.753 -20.167 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -8.205 5.522 -22.587 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -9.329 6.697 -21.863 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -7.916 7.267 -22.784 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -5.957 5.196 -21.683 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -5.571 6.928 -21.804 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -5.420 6.090 -20.241 1.00 0.00 H new ATOM 1131 N LEU A 71 -9.562 9.114 -20.668 1.00 0.00 N ATOM 1132 CA LEU A 71 -10.845 9.768 -20.425 1.00 0.00 C ATOM 1133 C LEU A 71 -11.946 8.778 -20.790 1.00 0.00 C ATOM 1134 O LEU A 71 -11.756 7.976 -21.691 1.00 0.00 O ATOM 1135 CB LEU A 71 -10.911 11.014 -21.324 1.00 0.00 C ATOM 1136 CG LEU A 71 -12.152 11.889 -21.071 1.00 0.00 C ATOM 1137 CD1 LEU A 71 -11.806 13.060 -20.169 1.00 0.00 C ATOM 1138 CD2 LEU A 71 -12.749 12.401 -22.377 1.00 0.00 C ATOM 0 H LEU A 71 -9.216 9.233 -21.620 1.00 0.00 H new ATOM 0 HA LEU A 71 -10.964 10.069 -19.384 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -10.015 11.614 -21.166 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -10.904 10.700 -22.368 1.00 0.00 H new ATOM 0 HG LEU A 71 -12.896 11.265 -20.577 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -12.696 13.666 -20.002 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -11.437 12.687 -19.214 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -11.036 13.669 -20.643 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -13.623 13.015 -22.161 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -12.007 12.999 -22.906 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -13.044 11.555 -22.998 1.00 0.00 H new ATOM 1150 N ARG A 72 -13.110 8.852 -20.154 1.00 0.00 N ATOM 1151 CA ARG A 72 -14.296 8.070 -20.535 1.00 0.00 C ATOM 1152 C ARG A 72 -14.862 8.471 -21.888 1.00 0.00 C ATOM 1153 O ARG A 72 -15.339 7.598 -22.603 1.00 0.00 O ATOM 1154 CB ARG A 72 -15.396 8.217 -19.459 1.00 0.00 C ATOM 1155 CG ARG A 72 -16.374 7.023 -19.443 1.00 0.00 C ATOM 1156 CD ARG A 72 -17.171 7.070 -18.137 1.00 0.00 C ATOM 1157 NE ARG A 72 -18.202 6.021 -18.034 1.00 0.00 N ATOM 1158 CZ ARG A 72 -19.114 5.962 -17.050 1.00 0.00 C ATOM 1159 NH1 ARG A 72 -19.133 6.910 -16.122 1.00 0.00 N ATOM 1160 NH2 ARG A 72 -19.996 4.970 -17.010 1.00 0.00 N ATOM 0 H ARG A 72 -13.265 9.461 -19.350 1.00 0.00 H new ATOM 0 HA ARG A 72 -13.972 7.032 -20.611 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -14.929 8.313 -18.479 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -15.954 9.136 -19.638 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -17.046 7.072 -20.300 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -15.827 6.083 -19.520 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -16.482 6.974 -17.298 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -17.648 8.046 -18.048 1.00 0.00 H new ATOM 0 HE ARG A 72 -18.224 5.297 -18.753 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -18.459 7.675 -16.160 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -19.822 6.874 -15.370 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -19.983 4.247 -17.729 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -20.686 4.931 -16.260 1.00 0.00 H new ATOM 1174 N LEU A 73 -14.749 9.760 -22.227 1.00 0.00 N ATOM 1175 CA LEU A 73 -15.439 10.403 -23.352 1.00 0.00 C ATOM 1176 C LEU A 73 -16.943 10.305 -23.025 1.00 0.00 C ATOM 1177 O LEU A 73 -17.750 9.998 -23.899 1.00 0.00 O ATOM 1178 CB LEU A 73 -15.082 9.831 -24.752 1.00 0.00 C ATOM 1179 CG LEU A 73 -13.631 9.803 -25.280 1.00 0.00 C ATOM 1180 CD1 LEU A 73 -12.974 11.128 -25.635 1.00 0.00 C ATOM 1181 CD2 LEU A 73 -12.685 8.938 -24.454 1.00 0.00 C ATOM 0 H LEU A 73 -14.155 10.407 -21.708 1.00 0.00 H new ATOM 0 HA LEU A 73 -15.111 11.438 -23.444 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -15.444 8.803 -24.773 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -15.670 10.391 -25.479 1.00 0.00 H new ATOM 0 HG LEU A 73 -13.798 9.325 -26.245 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -11.959 10.947 -25.990 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -13.550 11.622 -26.418 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -12.941 11.766 -24.752 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -11.687 8.972 -24.890 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -12.647 9.314 -23.432 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -13.044 7.909 -24.449 1.00 0.00 H new ATOM 1325 N ILE B 677 -9.276 16.435 -32.704 1.00 0.00 N ATOM 1326 CA ILE B 677 -8.515 15.812 -31.617 1.00 0.00 C ATOM 1327 C ILE B 677 -7.586 16.908 -31.080 1.00 0.00 C ATOM 1328 O ILE B 677 -6.917 17.585 -31.879 1.00 0.00 O ATOM 1329 CB ILE B 677 -7.674 14.606 -32.097 1.00 0.00 C ATOM 1330 CG1 ILE B 677 -8.549 13.504 -32.737 1.00 0.00 C ATOM 1331 CG2 ILE B 677 -6.854 14.028 -30.919 1.00 0.00 C ATOM 1332 CD1 ILE B 677 -7.705 12.464 -33.486 1.00 0.00 C ATOM 0 HA ILE B 677 -9.196 15.424 -30.859 1.00 0.00 H new ATOM 0 HB ILE B 677 -6.994 14.966 -32.869 1.00 0.00 H new ATOM 0 HG12 ILE B 677 -9.132 13.007 -31.961 1.00 0.00 H new ATOM 0 HG13 ILE B 677 -9.259 13.960 -33.427 1.00 0.00 H new ATOM 0 HG21 ILE B 677 -6.265 13.179 -31.267 1.00 0.00 H new ATOM 0 HG22 ILE B 677 -6.187 14.796 -30.528 1.00 0.00 H new ATOM 0 HG23 ILE B 677 -7.531 13.700 -30.130 1.00 0.00 H new ATOM 0 HD11 ILE B 677 -8.360 11.708 -33.920 1.00 0.00 H new ATOM 0 HD12 ILE B 677 -7.142 12.955 -34.280 1.00 0.00 H new ATOM 0 HD13 ILE B 677 -7.013 11.988 -32.791 1.00 0.00 H new ATOM 1344 N THR B 678 -7.489 17.057 -29.762 1.00 0.00 N ATOM 1345 CA THR B 678 -6.557 17.964 -29.132 1.00 0.00 C ATOM 1346 C THR B 678 -5.790 17.254 -28.014 1.00 0.00 C ATOM 1347 O THR B 678 -6.242 16.268 -27.423 1.00 0.00 O ATOM 1348 CB THR B 678 -7.317 19.242 -28.743 1.00 0.00 C ATOM 1349 OG1 THR B 678 -6.391 20.278 -28.462 1.00 0.00 O ATOM 1350 CG2 THR B 678 -8.291 19.103 -27.572 1.00 0.00 C ATOM 0 H THR B 678 -8.067 16.540 -29.099 1.00 0.00 H new ATOM 0 HA THR B 678 -5.767 18.286 -29.810 1.00 0.00 H new ATOM 0 HB THR B 678 -7.938 19.475 -29.608 1.00 0.00 H new ATOM 0 HG1 THR B 678 -6.877 21.093 -28.216 1.00 0.00 H new ATOM 0 HG21 THR B 678 -8.772 20.063 -27.383 1.00 0.00 H new ATOM 0 HG22 THR B 678 -9.049 18.359 -27.816 1.00 0.00 H new ATOM 0 HG23 THR B 678 -7.747 18.788 -26.682 1.00 0.00 H new ATOM 1358 N PHE B 679 -4.583 17.762 -27.763 1.00 0.00 N ATOM 1359 CA PHE B 679 -3.582 17.190 -26.877 1.00 0.00 C ATOM 1360 C PHE B 679 -3.155 18.301 -25.900 1.00 0.00 C ATOM 1361 O PHE B 679 -2.190 19.024 -26.168 1.00 0.00 O ATOM 1362 CB PHE B 679 -2.422 16.578 -27.675 1.00 0.00 C ATOM 1363 CG PHE B 679 -2.744 15.234 -28.315 1.00 0.00 C ATOM 1364 CD1 PHE B 679 -2.770 14.061 -27.532 1.00 0.00 C ATOM 1365 CD2 PHE B 679 -3.004 15.149 -29.697 1.00 0.00 C ATOM 1366 CE1 PHE B 679 -3.029 12.812 -28.120 1.00 0.00 C ATOM 1367 CE2 PHE B 679 -3.256 13.898 -30.287 1.00 0.00 C ATOM 1368 CZ PHE B 679 -3.253 12.728 -29.504 1.00 0.00 C ATOM 0 H PHE B 679 -4.266 18.629 -28.197 1.00 0.00 H new ATOM 0 HA PHE B 679 -3.983 16.356 -26.301 1.00 0.00 H new ATOM 0 HB2 PHE B 679 -2.124 17.278 -28.456 1.00 0.00 H new ATOM 0 HB3 PHE B 679 -1.565 16.456 -27.013 1.00 0.00 H new ATOM 0 HD1 PHE B 679 -2.589 14.124 -26.469 1.00 0.00 H new ATOM 0 HD2 PHE B 679 -3.010 16.043 -30.302 1.00 0.00 H new ATOM 0 HE1 PHE B 679 -3.056 11.921 -27.511 1.00 0.00 H new ATOM 0 HE2 PHE B 679 -3.453 13.834 -31.347 1.00 0.00 H new ATOM 0 HZ PHE B 679 -3.423 11.767 -29.967 1.00 0.00 H new ATOM 1378 N PRO B 680 -3.931 18.522 -24.818 1.00 0.00 N ATOM 1379 CA PRO B 680 -3.714 19.577 -23.827 1.00 0.00 C ATOM 1380 C PRO B 680 -2.522 19.256 -22.915 1.00 0.00 C ATOM 1381 O PRO B 680 -1.930 18.181 -22.987 1.00 0.00 O ATOM 1382 CB PRO B 680 -5.021 19.598 -23.012 1.00 0.00 C ATOM 1383 CG PRO B 680 -5.391 18.119 -22.999 1.00 0.00 C ATOM 1384 CD PRO B 680 -5.095 17.729 -24.441 1.00 0.00 C ATOM 0 HA PRO B 680 -3.484 20.535 -24.293 1.00 0.00 H new ATOM 0 HB2 PRO B 680 -4.872 19.993 -22.007 1.00 0.00 H new ATOM 0 HB3 PRO B 680 -5.790 20.210 -23.484 1.00 0.00 H new ATOM 0 HG2 PRO B 680 -4.792 17.551 -22.287 1.00 0.00 H new ATOM 0 HG3 PRO B 680 -6.436 17.958 -22.735 1.00 0.00 H new ATOM 0 HD2 PRO B 680 -4.889 16.662 -24.526 1.00 0.00 H new ATOM 0 HD3 PRO B 680 -5.945 17.943 -25.090 1.00 0.00 H new ATOM 1392 N SER B 681 -2.277 20.122 -21.933 1.00 0.00 N ATOM 1393 CA SER B 681 -1.328 19.935 -20.833 1.00 0.00 C ATOM 1394 C SER B 681 -1.696 18.766 -19.883 1.00 0.00 C ATOM 1395 O SER B 681 -1.183 18.706 -18.764 1.00 0.00 O ATOM 1396 CB SER B 681 -1.223 21.262 -20.061 1.00 0.00 C ATOM 1397 OG SER B 681 -1.100 22.373 -20.952 1.00 0.00 O ATOM 0 H SER B 681 -2.759 21.019 -21.879 1.00 0.00 H new ATOM 0 HA SER B 681 -0.365 19.657 -21.261 1.00 0.00 H new ATOM 0 HB2 SER B 681 -2.106 21.392 -19.435 1.00 0.00 H new ATOM 0 HB3 SER B 681 -0.361 21.230 -19.395 1.00 0.00 H new ATOM 0 HG SER B 681 -1.037 23.202 -20.434 1.00 0.00 H new ATOM 1403 N ASP B 682 -2.560 17.836 -20.309 1.00 0.00 N ATOM 1404 CA ASP B 682 -2.938 16.632 -19.567 1.00 0.00 C ATOM 1405 C ASP B 682 -2.914 15.371 -20.437 1.00 0.00 C ATOM 1406 O ASP B 682 -2.867 14.266 -19.890 1.00 0.00 O ATOM 1407 CB ASP B 682 -4.331 16.759 -18.952 1.00 0.00 C ATOM 1408 CG ASP B 682 -4.477 17.964 -18.009 1.00 0.00 C ATOM 1409 OD1 ASP B 682 -4.035 17.894 -16.838 1.00 0.00 O ATOM 1410 OD2 ASP B 682 -5.062 18.986 -18.440 1.00 0.00 O ATOM 0 H ASP B 682 -3.030 17.906 -21.212 1.00 0.00 H new ATOM 0 HA ASP B 682 -2.191 16.535 -18.779 1.00 0.00 H new ATOM 0 HB2 ASP B 682 -5.067 16.843 -19.752 1.00 0.00 H new ATOM 0 HB3 ASP B 682 -4.561 15.847 -18.401 1.00 0.00 H new ATOM 1415 N ILE B 683 -2.941 15.488 -21.773 1.00 0.00 N ATOM 1416 CA ILE B 683 -2.908 14.359 -22.686 1.00 0.00 C ATOM 1417 C ILE B 683 -2.022 14.741 -23.880 1.00 0.00 C ATOM 1418 O ILE B 683 -2.256 15.774 -24.496 1.00 0.00 O ATOM 1419 CB ILE B 683 -4.345 13.949 -23.081 1.00 0.00 C ATOM 1420 CG1 ILE B 683 -5.086 13.271 -21.904 1.00 0.00 C ATOM 1421 CG2 ILE B 683 -4.320 12.993 -24.288 1.00 0.00 C ATOM 1422 CD1 ILE B 683 -5.795 14.144 -20.883 1.00 0.00 C ATOM 0 H ILE B 683 -2.987 16.390 -22.247 1.00 0.00 H new ATOM 0 HA ILE B 683 -2.473 13.477 -22.217 1.00 0.00 H new ATOM 0 HB ILE B 683 -4.881 14.860 -23.348 1.00 0.00 H new ATOM 0 HG12 ILE B 683 -5.826 12.592 -22.328 1.00 0.00 H new ATOM 0 HG13 ILE B 683 -4.362 12.658 -21.367 1.00 0.00 H new ATOM 0 HG21 ILE B 683 -5.340 12.714 -24.553 1.00 0.00 H new ATOM 0 HG22 ILE B 683 -3.848 13.490 -25.136 1.00 0.00 H new ATOM 0 HG23 ILE B 683 -3.754 12.097 -24.031 1.00 0.00 H new ATOM 0 HD11 ILE B 683 -6.262 13.513 -20.127 1.00 0.00 H new ATOM 0 HD12 ILE B 683 -5.073 14.807 -20.407 1.00 0.00 H new ATOM 0 HD13 ILE B 683 -6.560 14.739 -21.382 1.00 0.00 H new ATOM 1434 N ASP B 684 -1.035 13.909 -24.231 1.00 0.00 N ATOM 1435 CA ASP B 684 0.000 14.164 -25.242 1.00 0.00 C ATOM 1436 C ASP B 684 0.157 12.921 -26.134 1.00 0.00 C ATOM 1437 O ASP B 684 -0.037 11.805 -25.633 1.00 0.00 O ATOM 1438 CB ASP B 684 1.334 14.436 -24.535 1.00 0.00 C ATOM 1439 CG ASP B 684 2.515 14.602 -25.496 1.00 0.00 C ATOM 1440 OD1 ASP B 684 3.149 13.572 -25.830 1.00 0.00 O ATOM 1441 OD2 ASP B 684 2.816 15.756 -25.881 1.00 0.00 O ATOM 0 H ASP B 684 -0.930 12.992 -23.796 1.00 0.00 H new ATOM 0 HA ASP B 684 -0.285 15.023 -25.850 1.00 0.00 H new ATOM 0 HB2 ASP B 684 1.238 15.338 -23.931 1.00 0.00 H new ATOM 0 HB3 ASP B 684 1.546 13.615 -23.850 1.00 0.00 H new ATOM 1446 N PRO B 685 0.488 13.055 -27.435 1.00 0.00 N ATOM 1447 CA PRO B 685 0.601 11.916 -28.334 1.00 0.00 C ATOM 1448 C PRO B 685 1.534 10.805 -27.838 1.00 0.00 C ATOM 1449 O PRO B 685 1.267 9.650 -28.144 1.00 0.00 O ATOM 1450 CB PRO B 685 1.090 12.471 -29.675 1.00 0.00 C ATOM 1451 CG PRO B 685 0.604 13.916 -29.655 1.00 0.00 C ATOM 1452 CD PRO B 685 0.716 14.289 -28.179 1.00 0.00 C ATOM 0 HA PRO B 685 -0.374 11.434 -28.409 1.00 0.00 H new ATOM 0 HB2 PRO B 685 2.175 12.413 -29.763 1.00 0.00 H new ATOM 0 HB3 PRO B 685 0.672 11.918 -30.516 1.00 0.00 H new ATOM 0 HG2 PRO B 685 1.221 14.559 -30.283 1.00 0.00 H new ATOM 0 HG3 PRO B 685 -0.420 14.004 -30.018 1.00 0.00 H new ATOM 0 HD2 PRO B 685 1.699 14.704 -27.955 1.00 0.00 H new ATOM 0 HD3 PRO B 685 -0.019 15.048 -27.911 1.00 0.00 H new ATOM 1460 N GLN B 686 2.603 11.094 -27.085 1.00 0.00 N ATOM 1461 CA GLN B 686 3.581 10.062 -26.770 1.00 0.00 C ATOM 1462 C GLN B 686 2.955 8.953 -25.913 1.00 0.00 C ATOM 1463 O GLN B 686 3.046 7.791 -26.313 1.00 0.00 O ATOM 1464 CB GLN B 686 4.925 10.637 -26.264 1.00 0.00 C ATOM 1465 CG GLN B 686 5.441 10.161 -24.894 1.00 0.00 C ATOM 1466 CD GLN B 686 4.840 10.834 -23.658 1.00 0.00 C ATOM 1467 OE1 GLN B 686 5.070 10.381 -22.540 1.00 0.00 O ATOM 1468 NE2 GLN B 686 4.054 11.891 -23.790 1.00 0.00 N ATOM 0 H GLN B 686 2.805 12.014 -26.693 1.00 0.00 H new ATOM 0 HA GLN B 686 3.872 9.567 -27.696 1.00 0.00 H new ATOM 0 HB2 GLN B 686 5.688 10.407 -27.007 1.00 0.00 H new ATOM 0 HB3 GLN B 686 4.832 11.722 -26.228 1.00 0.00 H new ATOM 0 HG2 GLN B 686 5.262 9.089 -24.818 1.00 0.00 H new ATOM 0 HG3 GLN B 686 6.521 10.306 -24.869 1.00 0.00 H new ATOM 0 HE21 GLN B 686 3.861 12.270 -24.717 1.00 0.00 H new ATOM 0 HE22 GLN B 686 3.642 12.326 -22.965 1.00 0.00 H new ATOM 1477 N VAL B 687 2.269 9.252 -24.794 1.00 0.00 N ATOM 1478 CA VAL B 687 1.617 8.204 -24.037 1.00 0.00 C ATOM 1479 C VAL B 687 0.588 7.509 -24.916 1.00 0.00 C ATOM 1480 O VAL B 687 0.432 6.300 -24.799 1.00 0.00 O ATOM 1481 CB VAL B 687 0.972 8.769 -22.770 1.00 0.00 C ATOM 1482 CG1 VAL B 687 0.607 7.636 -21.806 1.00 0.00 C ATOM 1483 CG2 VAL B 687 1.911 9.735 -22.050 1.00 0.00 C ATOM 0 H VAL B 687 2.161 10.192 -24.413 1.00 0.00 H new ATOM 0 HA VAL B 687 2.362 7.472 -23.724 1.00 0.00 H new ATOM 0 HB VAL B 687 0.074 9.305 -23.077 1.00 0.00 H new ATOM 0 HG11 VAL B 687 0.149 8.054 -20.910 1.00 0.00 H new ATOM 0 HG12 VAL B 687 -0.096 6.959 -22.290 1.00 0.00 H new ATOM 0 HG13 VAL B 687 1.508 7.088 -21.531 1.00 0.00 H new ATOM 0 HG21 VAL B 687 1.422 10.118 -21.154 1.00 0.00 H new ATOM 0 HG22 VAL B 687 2.825 9.212 -21.769 1.00 0.00 H new ATOM 0 HG23 VAL B 687 2.157 10.565 -22.712 1.00 0.00 H new ATOM 1493 N PHE B 688 -0.079 8.233 -25.822 1.00 0.00 N ATOM 1494 CA PHE B 688 -1.057 7.635 -26.713 1.00 0.00 C ATOM 1495 C PHE B 688 -0.421 6.597 -27.646 1.00 0.00 C ATOM 1496 O PHE B 688 -0.997 5.535 -27.886 1.00 0.00 O ATOM 1497 CB PHE B 688 -1.781 8.747 -27.493 1.00 0.00 C ATOM 1498 CG PHE B 688 -3.123 8.333 -28.042 1.00 0.00 C ATOM 1499 CD1 PHE B 688 -4.105 7.862 -27.158 1.00 0.00 C ATOM 1500 CD2 PHE B 688 -3.407 8.446 -29.413 1.00 0.00 C ATOM 1501 CE1 PHE B 688 -5.378 7.512 -27.628 1.00 0.00 C ATOM 1502 CE2 PHE B 688 -4.675 8.064 -29.896 1.00 0.00 C ATOM 1503 CZ PHE B 688 -5.649 7.583 -29.004 1.00 0.00 C ATOM 0 H PHE B 688 0.047 9.237 -25.951 1.00 0.00 H new ATOM 0 HA PHE B 688 -1.791 7.092 -26.118 1.00 0.00 H new ATOM 0 HB2 PHE B 688 -1.917 9.607 -26.838 1.00 0.00 H new ATOM 0 HB3 PHE B 688 -1.146 9.071 -28.318 1.00 0.00 H new ATOM 0 HD1 PHE B 688 -3.878 7.768 -26.106 1.00 0.00 H new ATOM 0 HD2 PHE B 688 -2.658 8.823 -30.093 1.00 0.00 H new ATOM 0 HE1 PHE B 688 -6.144 7.190 -26.938 1.00 0.00 H new ATOM 0 HE2 PHE B 688 -4.898 8.141 -30.950 1.00 0.00 H new ATOM 0 HZ PHE B 688 -6.611 7.266 -29.379 1.00 0.00 H new ATOM 1513 N TYR B 689 0.785 6.874 -28.142 1.00 0.00 N ATOM 1514 CA TYR B 689 1.568 5.965 -28.969 1.00 0.00 C ATOM 1515 C TYR B 689 2.157 4.809 -28.168 1.00 0.00 C ATOM 1516 O TYR B 689 2.532 3.792 -28.754 1.00 0.00 O ATOM 1517 CB TYR B 689 2.689 6.753 -29.660 1.00 0.00 C ATOM 1518 CG TYR B 689 2.259 7.887 -30.577 1.00 0.00 C ATOM 1519 CD1 TYR B 689 0.978 7.908 -31.168 1.00 0.00 C ATOM 1520 CD2 TYR B 689 3.172 8.920 -30.857 1.00 0.00 C ATOM 1521 CE1 TYR B 689 0.621 8.942 -32.047 1.00 0.00 C ATOM 1522 CE2 TYR B 689 2.819 9.962 -31.736 1.00 0.00 C ATOM 1523 CZ TYR B 689 1.544 9.970 -32.346 1.00 0.00 C ATOM 1524 OH TYR B 689 1.191 10.959 -33.217 1.00 0.00 O ATOM 0 H TYR B 689 1.255 7.763 -27.973 1.00 0.00 H new ATOM 0 HA TYR B 689 0.899 5.528 -29.710 1.00 0.00 H new ATOM 0 HB2 TYR B 689 3.340 7.166 -28.889 1.00 0.00 H new ATOM 0 HB3 TYR B 689 3.289 6.053 -30.242 1.00 0.00 H new ATOM 0 HD1 TYR B 689 0.269 7.125 -30.943 1.00 0.00 H new ATOM 0 HD2 TYR B 689 4.148 8.914 -30.396 1.00 0.00 H new ATOM 0 HE1 TYR B 689 -0.361 8.952 -32.496 1.00 0.00 H new ATOM 0 HE2 TYR B 689 3.522 10.755 -31.944 1.00 0.00 H new ATOM 0 HH TYR B 689 1.935 11.589 -33.315 1.00 0.00 H new ATOM 1534 N GLU B 690 2.252 4.958 -26.849 1.00 0.00 N ATOM 1535 CA GLU B 690 2.985 4.050 -25.982 1.00 0.00 C ATOM 1536 C GLU B 690 2.053 3.080 -25.253 1.00 0.00 C ATOM 1537 O GLU B 690 2.431 1.925 -25.024 1.00 0.00 O ATOM 1538 CB GLU B 690 3.793 4.936 -25.012 1.00 0.00 C ATOM 1539 CG GLU B 690 4.047 4.342 -23.631 1.00 0.00 C ATOM 1540 CD GLU B 690 4.777 5.344 -22.726 1.00 0.00 C ATOM 1541 OE1 GLU B 690 4.093 6.190 -22.101 1.00 0.00 O ATOM 1542 OE2 GLU B 690 6.024 5.301 -22.618 1.00 0.00 O ATOM 0 H GLU B 690 1.812 5.729 -26.347 1.00 0.00 H new ATOM 0 HA GLU B 690 3.653 3.410 -26.559 1.00 0.00 H new ATOM 0 HB2 GLU B 690 4.755 5.164 -25.472 1.00 0.00 H new ATOM 0 HB3 GLU B 690 3.267 5.882 -24.889 1.00 0.00 H new ATOM 0 HG2 GLU B 690 3.099 4.057 -23.174 1.00 0.00 H new ATOM 0 HG3 GLU B 690 4.641 3.433 -23.726 1.00 0.00 H new ATOM 1549 N LEU B 691 0.850 3.534 -24.891 1.00 0.00 N ATOM 1550 CA LEU B 691 -0.183 2.667 -24.347 1.00 0.00 C ATOM 1551 C LEU B 691 -0.571 1.608 -25.382 1.00 0.00 C ATOM 1552 O LEU B 691 -0.216 1.699 -26.560 1.00 0.00 O ATOM 1553 CB LEU B 691 -1.365 3.497 -23.794 1.00 0.00 C ATOM 1554 CG LEU B 691 -2.212 4.360 -24.750 1.00 0.00 C ATOM 1555 CD1 LEU B 691 -2.982 3.559 -25.790 1.00 0.00 C ATOM 1556 CD2 LEU B 691 -3.218 5.165 -23.914 1.00 0.00 C ATOM 0 H LEU B 691 0.571 4.512 -24.969 1.00 0.00 H new ATOM 0 HA LEU B 691 0.199 2.119 -23.486 1.00 0.00 H new ATOM 0 HB2 LEU B 691 -2.043 2.804 -23.295 1.00 0.00 H new ATOM 0 HB3 LEU B 691 -0.965 4.160 -23.026 1.00 0.00 H new ATOM 0 HG LEU B 691 -1.518 4.998 -25.296 1.00 0.00 H new ATOM 0 HD11 LEU B 691 -3.552 4.238 -26.423 1.00 0.00 H new ATOM 0 HD12 LEU B 691 -2.282 2.992 -26.404 1.00 0.00 H new ATOM 0 HD13 LEU B 691 -3.664 2.872 -25.289 1.00 0.00 H new ATOM 0 HD21 LEU B 691 -3.827 5.783 -24.574 1.00 0.00 H new ATOM 0 HD22 LEU B 691 -3.861 4.481 -23.361 1.00 0.00 H new ATOM 0 HD23 LEU B 691 -2.680 5.804 -23.213 1.00 0.00 H new ATOM 1568 N ALA B 692 -1.306 0.593 -24.913 1.00 0.00 N ATOM 1569 CA ALA B 692 -1.726 -0.545 -25.722 1.00 0.00 C ATOM 1570 C ALA B 692 -2.362 -0.061 -27.019 1.00 0.00 C ATOM 1571 O ALA B 692 -3.305 0.722 -26.984 1.00 0.00 O ATOM 1572 CB ALA B 692 -2.714 -1.388 -24.905 1.00 0.00 C ATOM 0 H ALA B 692 -1.628 0.543 -23.946 1.00 0.00 H new ATOM 0 HA ALA B 692 -0.863 -1.157 -25.985 1.00 0.00 H new ATOM 0 HB1 ALA B 692 -3.038 -2.244 -25.497 1.00 0.00 H new ATOM 0 HB2 ALA B 692 -2.227 -1.739 -23.995 1.00 0.00 H new ATOM 0 HB3 ALA B 692 -3.580 -0.780 -24.642 1.00 0.00 H new ATOM 1578 N GLU B 693 -1.884 -0.547 -28.161 1.00 0.00 N ATOM 1579 CA GLU B 693 -2.355 -0.081 -29.463 1.00 0.00 C ATOM 1580 C GLU B 693 -3.850 -0.261 -29.582 1.00 0.00 C ATOM 1581 O GLU B 693 -4.531 0.625 -30.079 1.00 0.00 O ATOM 1582 CB GLU B 693 -1.690 -0.871 -30.587 1.00 0.00 C ATOM 1583 CG GLU B 693 -0.291 -0.302 -30.873 1.00 0.00 C ATOM 1584 CD GLU B 693 0.440 -1.131 -31.946 1.00 0.00 C ATOM 1585 OE1 GLU B 693 1.122 -2.125 -31.591 1.00 0.00 O ATOM 1586 OE2 GLU B 693 0.350 -0.789 -33.152 1.00 0.00 O ATOM 0 H GLU B 693 -1.165 -1.269 -28.211 1.00 0.00 H new ATOM 0 HA GLU B 693 -2.099 0.975 -29.547 1.00 0.00 H new ATOM 0 HB2 GLU B 693 -1.614 -1.922 -30.308 1.00 0.00 H new ATOM 0 HB3 GLU B 693 -2.302 -0.823 -31.488 1.00 0.00 H new ATOM 0 HG2 GLU B 693 -0.377 0.732 -31.206 1.00 0.00 H new ATOM 0 HG3 GLU B 693 0.296 -0.294 -29.954 1.00 0.00 H new ATOM 1593 N ALA B 694 -4.381 -1.372 -29.073 1.00 0.00 N ATOM 1594 CA ALA B 694 -5.799 -1.632 -29.189 1.00 0.00 C ATOM 1595 C ALA B 694 -6.613 -0.560 -28.443 1.00 0.00 C ATOM 1596 O ALA B 694 -7.649 -0.118 -28.935 1.00 0.00 O ATOM 1597 CB ALA B 694 -6.087 -3.035 -28.659 1.00 0.00 C ATOM 0 H ALA B 694 -3.851 -2.093 -28.584 1.00 0.00 H new ATOM 0 HA ALA B 694 -6.101 -1.583 -30.235 1.00 0.00 H new ATOM 0 HB1 ALA B 694 -7.154 -3.243 -28.741 1.00 0.00 H new ATOM 0 HB2 ALA B 694 -5.529 -3.766 -29.243 1.00 0.00 H new ATOM 0 HB3 ALA B 694 -5.784 -3.098 -27.614 1.00 0.00 H new ATOM 1603 N VAL B 695 -6.109 -0.089 -27.293 1.00 0.00 N ATOM 1604 CA VAL B 695 -6.691 1.033 -26.557 1.00 0.00 C ATOM 1605 C VAL B 695 -6.548 2.309 -27.379 1.00 0.00 C ATOM 1606 O VAL B 695 -7.511 3.063 -27.460 1.00 0.00 O ATOM 1607 CB VAL B 695 -6.044 1.144 -25.155 1.00 0.00 C ATOM 1608 CG1 VAL B 695 -6.146 2.526 -24.495 1.00 0.00 C ATOM 1609 CG2 VAL B 695 -6.682 0.132 -24.203 1.00 0.00 C ATOM 0 H VAL B 695 -5.280 -0.482 -26.848 1.00 0.00 H new ATOM 0 HA VAL B 695 -7.756 0.867 -26.397 1.00 0.00 H new ATOM 0 HB VAL B 695 -4.986 0.948 -25.328 1.00 0.00 H new ATOM 0 HG11 VAL B 695 -5.663 2.499 -23.518 1.00 0.00 H new ATOM 0 HG12 VAL B 695 -5.652 3.267 -25.124 1.00 0.00 H new ATOM 0 HG13 VAL B 695 -7.195 2.795 -24.374 1.00 0.00 H new ATOM 0 HG21 VAL B 695 -6.221 0.217 -23.219 1.00 0.00 H new ATOM 0 HG22 VAL B 695 -7.750 0.332 -24.122 1.00 0.00 H new ATOM 0 HG23 VAL B 695 -6.530 -0.876 -24.589 1.00 0.00 H new ATOM 1619 N GLN B 696 -5.395 2.567 -28.005 1.00 0.00 N ATOM 1620 CA GLN B 696 -5.206 3.744 -28.842 1.00 0.00 C ATOM 1621 C GLN B 696 -6.236 3.756 -29.964 1.00 0.00 C ATOM 1622 O GLN B 696 -6.869 4.781 -30.167 1.00 0.00 O ATOM 1623 CB GLN B 696 -3.779 3.761 -29.400 1.00 0.00 C ATOM 1624 CG GLN B 696 -3.441 4.986 -30.245 1.00 0.00 C ATOM 1625 CD GLN B 696 -2.230 4.691 -31.121 1.00 0.00 C ATOM 1626 OE1 GLN B 696 -2.305 4.684 -32.347 1.00 0.00 O ATOM 1627 NE2 GLN B 696 -1.101 4.385 -30.502 1.00 0.00 N ATOM 0 H GLN B 696 -4.573 1.966 -27.943 1.00 0.00 H new ATOM 0 HA GLN B 696 -5.349 4.643 -28.243 1.00 0.00 H new ATOM 0 HB2 GLN B 696 -3.077 3.705 -28.568 1.00 0.00 H new ATOM 0 HB3 GLN B 696 -3.629 2.866 -30.004 1.00 0.00 H new ATOM 0 HG2 GLN B 696 -4.294 5.256 -30.867 1.00 0.00 H new ATOM 0 HG3 GLN B 696 -3.235 5.839 -29.599 1.00 0.00 H new ATOM 0 HE21 GLN B 696 -1.059 4.397 -29.483 1.00 0.00 H new ATOM 0 HE22 GLN B 696 -0.273 4.138 -31.044 1.00 0.00 H new ATOM 1636 N LYS B 697 -6.439 2.648 -30.679 1.00 0.00 N ATOM 1637 CA LYS B 697 -7.410 2.596 -31.778 1.00 0.00 C ATOM 1638 C LYS B 697 -8.826 2.823 -31.255 1.00 0.00 C ATOM 1639 O LYS B 697 -9.568 3.620 -31.830 1.00 0.00 O ATOM 1640 CB LYS B 697 -7.320 1.240 -32.501 1.00 0.00 C ATOM 1641 CG LYS B 697 -5.957 0.953 -33.152 1.00 0.00 C ATOM 1642 CD LYS B 697 -5.488 1.984 -34.194 1.00 0.00 C ATOM 1643 CE LYS B 697 -6.440 2.191 -35.387 1.00 0.00 C ATOM 1644 NZ LYS B 697 -6.524 1.002 -36.283 1.00 0.00 N ATOM 0 H LYS B 697 -5.943 1.771 -30.517 1.00 0.00 H new ATOM 0 HA LYS B 697 -7.174 3.390 -32.487 1.00 0.00 H new ATOM 0 HB2 LYS B 697 -7.542 0.447 -31.787 1.00 0.00 H new ATOM 0 HB3 LYS B 697 -8.091 1.201 -33.270 1.00 0.00 H new ATOM 0 HG2 LYS B 697 -5.205 0.890 -32.366 1.00 0.00 H new ATOM 0 HG3 LYS B 697 -6.001 -0.026 -33.630 1.00 0.00 H new ATOM 0 HD2 LYS B 697 -5.344 2.942 -33.694 1.00 0.00 H new ATOM 0 HD3 LYS B 697 -4.515 1.674 -34.576 1.00 0.00 H new ATOM 0 HE2 LYS B 697 -7.436 2.427 -35.012 1.00 0.00 H new ATOM 0 HE3 LYS B 697 -6.105 3.052 -35.966 1.00 0.00 H new ATOM 0 HZ1 LYS B 697 -7.179 1.203 -37.066 1.00 0.00 H new ATOM 0 HZ2 LYS B 697 -5.581 0.789 -36.667 1.00 0.00 H new ATOM 0 HZ3 LYS B 697 -6.871 0.184 -35.743 1.00 0.00 H new ATOM 1658 N GLU B 698 -9.184 2.150 -30.163 1.00 0.00 N ATOM 1659 CA GLU B 698 -10.503 2.277 -29.541 1.00 0.00 C ATOM 1660 C GLU B 698 -10.756 3.735 -29.132 1.00 0.00 C ATOM 1661 O GLU B 698 -11.815 4.292 -29.425 1.00 0.00 O ATOM 1662 CB GLU B 698 -10.603 1.316 -28.343 1.00 0.00 C ATOM 1663 CG GLU B 698 -12.007 1.281 -27.724 1.00 0.00 C ATOM 1664 CD GLU B 698 -12.059 0.316 -26.526 1.00 0.00 C ATOM 1665 OE1 GLU B 698 -12.140 -0.921 -26.725 1.00 0.00 O ATOM 1666 OE2 GLU B 698 -12.041 0.802 -25.370 1.00 0.00 O ATOM 0 H GLU B 698 -8.565 1.498 -29.682 1.00 0.00 H new ATOM 0 HA GLU B 698 -11.278 2.002 -30.256 1.00 0.00 H new ATOM 0 HB2 GLU B 698 -10.328 0.312 -28.665 1.00 0.00 H new ATOM 0 HB3 GLU B 698 -9.883 1.615 -27.582 1.00 0.00 H new ATOM 0 HG2 GLU B 698 -12.291 2.283 -27.401 1.00 0.00 H new ATOM 0 HG3 GLU B 698 -12.732 0.971 -28.476 1.00 0.00 H new ATOM 1673 N LEU B 699 -9.759 4.369 -28.508 1.00 0.00 N ATOM 1674 CA LEU B 699 -9.825 5.760 -28.074 1.00 0.00 C ATOM 1675 C LEU B 699 -9.892 6.677 -29.269 1.00 0.00 C ATOM 1676 O LEU B 699 -10.702 7.580 -29.264 1.00 0.00 O ATOM 1677 CB LEU B 699 -8.572 6.142 -27.277 1.00 0.00 C ATOM 1678 CG LEU B 699 -8.665 5.728 -25.809 1.00 0.00 C ATOM 1679 CD1 LEU B 699 -7.263 5.665 -25.196 1.00 0.00 C ATOM 1680 CD2 LEU B 699 -9.530 6.727 -25.014 1.00 0.00 C ATOM 0 H LEU B 699 -8.870 3.919 -28.288 1.00 0.00 H new ATOM 0 HA LEU B 699 -10.715 5.865 -27.453 1.00 0.00 H new ATOM 0 HB2 LEU B 699 -7.699 5.671 -27.730 1.00 0.00 H new ATOM 0 HB3 LEU B 699 -8.420 7.220 -27.339 1.00 0.00 H new ATOM 0 HG LEU B 699 -9.131 4.744 -25.759 1.00 0.00 H new ATOM 0 HD11 LEU B 699 -7.336 5.369 -24.149 1.00 0.00 H new ATOM 0 HD12 LEU B 699 -6.661 4.935 -25.738 1.00 0.00 H new ATOM 0 HD13 LEU B 699 -6.792 6.646 -25.264 1.00 0.00 H new ATOM 0 HD21 LEU B 699 -9.583 6.413 -23.971 1.00 0.00 H new ATOM 0 HD22 LEU B 699 -9.085 7.720 -25.072 1.00 0.00 H new ATOM 0 HD23 LEU B 699 -10.535 6.755 -25.436 1.00 0.00 H new ATOM 1692 N LEU B 700 -9.062 6.470 -30.279 1.00 0.00 N ATOM 1693 CA LEU B 700 -8.966 7.332 -31.441 1.00 0.00 C ATOM 1694 C LEU B 700 -10.308 7.413 -32.152 1.00 0.00 C ATOM 1695 O LEU B 700 -10.735 8.504 -32.525 1.00 0.00 O ATOM 1696 CB LEU B 700 -7.867 6.760 -32.347 1.00 0.00 C ATOM 1697 CG LEU B 700 -7.644 7.517 -33.662 1.00 0.00 C ATOM 1698 CD1 LEU B 700 -7.273 8.980 -33.409 1.00 0.00 C ATOM 1699 CD2 LEU B 700 -6.521 6.822 -34.436 1.00 0.00 C ATOM 0 H LEU B 700 -8.421 5.677 -30.312 1.00 0.00 H new ATOM 0 HA LEU B 700 -8.707 8.351 -31.155 1.00 0.00 H new ATOM 0 HB2 LEU B 700 -6.930 6.747 -31.790 1.00 0.00 H new ATOM 0 HB3 LEU B 700 -8.113 5.724 -32.580 1.00 0.00 H new ATOM 0 HG LEU B 700 -8.569 7.508 -34.238 1.00 0.00 H new ATOM 0 HD11 LEU B 700 -7.122 9.487 -34.362 1.00 0.00 H new ATOM 0 HD12 LEU B 700 -8.078 9.470 -32.861 1.00 0.00 H new ATOM 0 HD13 LEU B 700 -6.355 9.026 -32.824 1.00 0.00 H new ATOM 0 HD21 LEU B 700 -6.348 7.347 -35.376 1.00 0.00 H new ATOM 0 HD22 LEU B 700 -5.608 6.833 -33.841 1.00 0.00 H new ATOM 0 HD23 LEU B 700 -6.806 5.791 -34.644 1.00 0.00 H new ATOM 1711 N ALA B 701 -11.000 6.277 -32.278 1.00 0.00 N ATOM 1712 CA ALA B 701 -12.364 6.249 -32.772 1.00 0.00 C ATOM 1713 C ALA B 701 -13.264 7.092 -31.865 1.00 0.00 C ATOM 1714 O ALA B 701 -13.989 7.943 -32.362 1.00 0.00 O ATOM 1715 CB ALA B 701 -12.850 4.803 -32.883 1.00 0.00 C ATOM 0 H ALA B 701 -10.625 5.359 -32.039 1.00 0.00 H new ATOM 0 HA ALA B 701 -12.404 6.685 -33.770 1.00 0.00 H new ATOM 0 HB1 ALA B 701 -13.875 4.791 -33.254 1.00 0.00 H new ATOM 0 HB2 ALA B 701 -12.208 4.255 -33.572 1.00 0.00 H new ATOM 0 HB3 ALA B 701 -12.815 4.331 -31.901 1.00 0.00 H new ATOM 1721 N GLU B 702 -13.180 6.919 -30.543 1.00 0.00 N ATOM 1722 CA GLU B 702 -13.909 7.719 -29.565 1.00 0.00 C ATOM 1723 C GLU B 702 -13.658 9.219 -29.780 1.00 0.00 C ATOM 1724 O GLU B 702 -14.596 10.007 -29.871 1.00 0.00 O ATOM 1725 CB GLU B 702 -13.512 7.294 -28.135 1.00 0.00 C ATOM 1726 CG GLU B 702 -14.683 7.243 -27.143 1.00 0.00 C ATOM 1727 CD GLU B 702 -15.560 5.989 -27.281 1.00 0.00 C ATOM 1728 OE1 GLU B 702 -16.413 5.935 -28.202 1.00 0.00 O ATOM 1729 OE2 GLU B 702 -15.412 5.083 -26.423 1.00 0.00 O ATOM 0 H GLU B 702 -12.590 6.203 -30.118 1.00 0.00 H new ATOM 0 HA GLU B 702 -14.976 7.542 -29.699 1.00 0.00 H new ATOM 0 HB2 GLU B 702 -13.044 6.310 -28.178 1.00 0.00 H new ATOM 0 HB3 GLU B 702 -12.761 7.988 -27.757 1.00 0.00 H new ATOM 0 HG2 GLU B 702 -14.289 7.289 -26.128 1.00 0.00 H new ATOM 0 HG3 GLU B 702 -15.305 8.127 -27.284 1.00 0.00 H new ATOM 1736 N TRP B 703 -12.399 9.638 -29.901 1.00 0.00 N ATOM 1737 CA TRP B 703 -11.996 11.029 -29.946 1.00 0.00 C ATOM 1738 C TRP B 703 -12.495 11.694 -31.238 1.00 0.00 C ATOM 1739 O TRP B 703 -12.932 12.844 -31.216 1.00 0.00 O ATOM 1740 CB TRP B 703 -10.462 11.046 -29.798 1.00 0.00 C ATOM 1741 CG TRP B 703 -9.858 10.420 -28.557 1.00 0.00 C ATOM 1742 CD1 TRP B 703 -10.505 9.893 -27.488 1.00 0.00 C ATOM 1743 CD2 TRP B 703 -8.456 10.375 -28.162 1.00 0.00 C ATOM 1744 NE1 TRP B 703 -9.630 9.562 -26.480 1.00 0.00 N ATOM 1745 CE2 TRP B 703 -8.358 9.907 -26.820 1.00 0.00 C ATOM 1746 CE3 TRP B 703 -7.266 10.786 -28.771 1.00 0.00 C ATOM 1747 CZ2 TRP B 703 -7.191 9.980 -26.065 1.00 0.00 C ATOM 1748 CZ3 TRP B 703 -6.071 10.873 -28.024 1.00 0.00 C ATOM 1749 CH2 TRP B 703 -6.046 10.525 -26.656 1.00 0.00 C ATOM 0 H TRP B 703 -11.612 8.993 -29.972 1.00 0.00 H new ATOM 0 HA TRP B 703 -12.440 11.612 -29.139 1.00 0.00 H new ATOM 0 HB2 TRP B 703 -10.038 10.542 -30.666 1.00 0.00 H new ATOM 0 HB3 TRP B 703 -10.134 12.085 -29.841 1.00 0.00 H new ATOM 0 HD1 TRP B 703 -11.574 9.751 -27.435 1.00 0.00 H new ATOM 0 HE1 TRP B 703 -9.897 9.120 -25.600 1.00 0.00 H new ATOM 0 HE3 TRP B 703 -7.261 11.039 -29.821 1.00 0.00 H new ATOM 0 HZ2 TRP B 703 -7.170 9.624 -25.046 1.00 0.00 H new ATOM 0 HZ3 TRP B 703 -5.165 11.210 -28.505 1.00 0.00 H new ATOM 0 HH2 TRP B 703 -5.151 10.678 -26.071 1.00 0.00 H new ATOM 1760 N LYS B 704 -12.509 10.956 -32.356 1.00 0.00 N ATOM 1761 CA LYS B 704 -12.977 11.454 -33.651 1.00 0.00 C ATOM 1762 C LYS B 704 -14.494 11.384 -33.791 1.00 0.00 C ATOM 1763 O LYS B 704 -15.069 12.189 -34.525 1.00 0.00 O ATOM 1764 CB LYS B 704 -12.361 10.622 -34.792 1.00 0.00 C ATOM 1765 CG LYS B 704 -10.848 10.838 -34.919 1.00 0.00 C ATOM 1766 CD LYS B 704 -10.228 9.912 -35.975 1.00 0.00 C ATOM 1767 CE LYS B 704 -10.664 10.306 -37.401 1.00 0.00 C ATOM 1768 NZ LYS B 704 -10.014 9.473 -38.451 1.00 0.00 N ATOM 0 H LYS B 704 -12.192 9.987 -32.384 1.00 0.00 H new ATOM 0 HA LYS B 704 -12.667 12.497 -33.710 1.00 0.00 H new ATOM 0 HB2 LYS B 704 -12.561 9.565 -34.617 1.00 0.00 H new ATOM 0 HB3 LYS B 704 -12.844 10.886 -35.733 1.00 0.00 H new ATOM 0 HG2 LYS B 704 -10.650 11.876 -35.184 1.00 0.00 H new ATOM 0 HG3 LYS B 704 -10.373 10.659 -33.954 1.00 0.00 H new ATOM 0 HD2 LYS B 704 -9.141 9.952 -35.902 1.00 0.00 H new ATOM 0 HD3 LYS B 704 -10.523 8.882 -35.775 1.00 0.00 H new ATOM 0 HE2 LYS B 704 -11.746 10.210 -37.485 1.00 0.00 H new ATOM 0 HE3 LYS B 704 -10.423 11.355 -37.574 1.00 0.00 H new ATOM 0 HZ1 LYS B 704 -10.342 9.779 -39.389 1.00 0.00 H new ATOM 0 HZ2 LYS B 704 -8.982 9.583 -38.392 1.00 0.00 H new ATOM 0 HZ3 LYS B 704 -10.264 8.474 -38.306 1.00 0.00 H new ATOM 1782 N ARG B 705 -15.157 10.421 -33.137 1.00 0.00 N ATOM 1783 CA ARG B 705 -16.596 10.189 -33.374 1.00 0.00 C ATOM 1784 C ARG B 705 -17.416 11.167 -32.548 1.00 0.00 C ATOM 1785 O ARG B 705 -18.463 11.631 -32.996 1.00 0.00 O ATOM 1786 CB ARG B 705 -17.001 8.717 -33.163 1.00 0.00 C ATOM 1787 CG ARG B 705 -17.016 8.247 -31.696 1.00 0.00 C ATOM 1788 CD ARG B 705 -16.957 6.717 -31.572 1.00 0.00 C ATOM 1789 NE ARG B 705 -18.259 6.081 -31.849 1.00 0.00 N ATOM 1790 CZ ARG B 705 -19.029 5.414 -30.974 1.00 0.00 C ATOM 1791 NH1 ARG B 705 -18.668 5.242 -29.702 1.00 0.00 N ATOM 1792 NH2 ARG B 705 -20.187 4.908 -31.387 1.00 0.00 N ATOM 0 H ARG B 705 -14.733 9.797 -32.450 1.00 0.00 H new ATOM 0 HA ARG B 705 -16.811 10.382 -34.425 1.00 0.00 H new ATOM 0 HB2 ARG B 705 -17.994 8.565 -33.587 1.00 0.00 H new ATOM 0 HB3 ARG B 705 -16.314 8.083 -33.724 1.00 0.00 H new ATOM 0 HG2 ARG B 705 -16.169 8.685 -31.168 1.00 0.00 H new ATOM 0 HG3 ARG B 705 -17.919 8.614 -31.209 1.00 0.00 H new ATOM 0 HD2 ARG B 705 -16.211 6.327 -32.264 1.00 0.00 H new ATOM 0 HD3 ARG B 705 -16.631 6.449 -30.567 1.00 0.00 H new ATOM 0 HE ARG B 705 -18.611 6.156 -32.804 1.00 0.00 H new ATOM 0 HH11 ARG B 705 -17.783 5.622 -29.367 1.00 0.00 H new ATOM 0 HH12 ARG B 705 -19.277 4.730 -29.064 1.00 0.00 H new ATOM 0 HH21 ARG B 705 -20.480 5.029 -32.357 1.00 0.00 H new ATOM 0 HH22 ARG B 705 -20.783 4.399 -30.734 1.00 0.00 H new ATOM 1806 N THR B 706 -16.914 11.503 -31.358 1.00 0.00 N ATOM 1807 CA THR B 706 -17.446 12.582 -30.541 1.00 0.00 C ATOM 1808 C THR B 706 -17.209 13.899 -31.280 1.00 0.00 C ATOM 1809 O THR B 706 -18.075 14.778 -31.286 1.00 0.00 O ATOM 1810 CB THR B 706 -16.780 12.526 -29.165 1.00 0.00 C ATOM 1811 OG1 THR B 706 -15.375 12.535 -29.293 1.00 0.00 O ATOM 1812 CG2 THR B 706 -17.168 11.231 -28.457 1.00 0.00 C ATOM 0 H THR B 706 -16.118 11.025 -30.935 1.00 0.00 H new ATOM 0 HA THR B 706 -18.520 12.489 -30.377 1.00 0.00 H new ATOM 0 HB THR B 706 -17.111 13.396 -28.597 1.00 0.00 H new ATOM 0 HG1 THR B 706 -15.049 11.616 -29.390 1.00 0.00 H new ATOM 0 HG21 THR B 706 -16.692 11.195 -27.477 1.00 0.00 H new ATOM 0 HG22 THR B 706 -18.251 11.193 -28.336 1.00 0.00 H new ATOM 0 HG23 THR B 706 -16.839 10.379 -29.052 1.00 0.00 H new ATOM 1820 N GLY B 707 -16.049 14.002 -31.941 1.00 0.00 N ATOM 1821 CA GLY B 707 -15.730 15.055 -32.881 1.00 0.00 C ATOM 1822 C GLY B 707 -14.552 15.865 -32.380 1.00 0.00 C ATOM 1823 O GLY B 707 -13.442 15.738 -32.893 1.00 0.00 O ATOM 0 H GLY B 707 -15.292 13.329 -31.825 1.00 0.00 H new ATOM 0 HA2 GLY B 707 -15.497 14.625 -33.855 1.00 0.00 H new ATOM 0 HA3 GLY B 707 -16.595 15.704 -33.018 1.00 0.00 H new ATOM 1827 N SER B 708 -14.778 16.638 -31.322 1.00 0.00 N ATOM 1828 CA SER B 708 -13.742 17.456 -30.696 1.00 0.00 C ATOM 1829 C SER B 708 -13.268 16.804 -29.390 1.00 0.00 C ATOM 1830 O SER B 708 -12.855 17.510 -28.472 1.00 0.00 O ATOM 1831 CB SER B 708 -14.269 18.883 -30.505 1.00 0.00 C ATOM 1832 OG SER B 708 -14.737 19.417 -31.737 1.00 0.00 O ATOM 0 H SER B 708 -15.690 16.716 -30.872 1.00 0.00 H new ATOM 0 HA SER B 708 -12.865 17.520 -31.341 1.00 0.00 H new ATOM 0 HB2 SER B 708 -15.077 18.882 -29.773 1.00 0.00 H new ATOM 0 HB3 SER B 708 -13.478 19.517 -30.106 1.00 0.00 H new ATOM 0 HG SER B 708 -15.071 20.327 -31.593 1.00 0.00 H new ATOM 1838 N ASP B 709 -13.394 15.466 -29.290 1.00 0.00 N ATOM 1839 CA ASP B 709 -13.054 14.626 -28.132 1.00 0.00 C ATOM 1840 C ASP B 709 -13.682 15.083 -26.796 1.00 0.00 C ATOM 1841 O ASP B 709 -13.281 14.640 -25.718 1.00 0.00 O ATOM 1842 CB ASP B 709 -11.542 14.391 -28.042 1.00 0.00 C ATOM 1843 CG ASP B 709 -10.669 15.591 -27.576 1.00 0.00 C ATOM 1844 OD1 ASP B 709 -10.894 16.196 -26.495 1.00 0.00 O ATOM 1845 OD2 ASP B 709 -9.683 15.873 -28.302 1.00 0.00 O ATOM 0 H ASP B 709 -13.759 14.912 -30.065 1.00 0.00 H new ATOM 0 HA ASP B 709 -13.526 13.661 -28.316 1.00 0.00 H new ATOM 0 HB2 ASP B 709 -11.368 13.560 -27.359 1.00 0.00 H new ATOM 0 HB3 ASP B 709 -11.189 14.076 -29.024 1.00 0.00 H new ATOM 1850 N PHE B 710 -14.741 15.898 -26.873 1.00 0.00 N ATOM 1851 CA PHE B 710 -15.392 16.650 -25.814 1.00 0.00 C ATOM 1852 C PHE B 710 -14.440 17.606 -25.085 1.00 0.00 C ATOM 1853 O PHE B 710 -14.591 18.825 -25.225 1.00 0.00 O ATOM 1854 CB PHE B 710 -16.122 15.712 -24.850 1.00 0.00 C ATOM 1855 CG PHE B 710 -17.231 14.880 -25.463 1.00 0.00 C ATOM 1856 CD1 PHE B 710 -18.334 15.495 -26.088 1.00 0.00 C ATOM 1857 CD2 PHE B 710 -17.178 13.478 -25.365 1.00 0.00 C ATOM 1858 CE1 PHE B 710 -19.378 14.709 -26.608 1.00 0.00 C ATOM 1859 CE2 PHE B 710 -18.236 12.698 -25.859 1.00 0.00 C ATOM 1860 CZ PHE B 710 -19.329 13.309 -26.490 1.00 0.00 C ATOM 0 H PHE B 710 -15.202 16.057 -27.769 1.00 0.00 H new ATOM 0 HA PHE B 710 -16.137 17.289 -26.288 1.00 0.00 H new ATOM 0 HB2 PHE B 710 -15.391 15.038 -24.403 1.00 0.00 H new ATOM 0 HB3 PHE B 710 -16.544 16.308 -24.040 1.00 0.00 H new ATOM 0 HD1 PHE B 710 -18.378 16.571 -26.168 1.00 0.00 H new ATOM 0 HD2 PHE B 710 -16.323 13.001 -24.909 1.00 0.00 H new ATOM 0 HE1 PHE B 710 -20.217 15.181 -27.098 1.00 0.00 H new ATOM 0 HE2 PHE B 710 -18.208 11.624 -25.753 1.00 0.00 H new ATOM 0 HZ PHE B 710 -20.132 12.705 -26.885 1.00 0.00 H new