USER MOD reduce.3.24.130724 H: found=0, std=0, add=770, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 769 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 Single : A 1 MET CE :methyl 177:sc= -0.0699 (180deg=-0.073) USER MOD Single : A 1 MET N :NH3+ 174:sc= 0.69 (180deg=0.671) USER MOD Single : A 2 GLN : amide:sc= 0.655 K(o=0.66,f=-5.3!) USER MOD Single : A 6 LYS NZ :NH3+ 174:sc= 1.23 (180deg=1.1) USER MOD Single : A 7 THR OG1 : rot -76:sc= 0.374 USER MOD Single : A 9 THR OG1 : rot -22:sc= 0.0815 USER MOD Single : A 11 LYS NZ :NH3+ -174:sc= 1.08 (180deg=1.05) 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 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.00616 USER MOD Single : A 25 ASN : amide:sc= 1.11 K(o=1.1,f=-0.44) USER MOD Single : A 27 LYS NZ :NH3+ -107:sc= 1.26 (180deg=1.05) USER MOD Single : A 29 LYS NZ :NH3+ -175:sc= 0.85 (180deg=0.834) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 LYS NZ :NH3+ 158:sc= 1.17 (180deg=0.801) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 GLN : amide:sc= -0.282 K(o=-0.28,f=-6.2!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.0216 USER MOD Single : A 57 SER OG : rot 180:sc= -0.119 USER MOD Single : A 59 TYR OH : rot 70:sc= -0.528 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 56:sc= 1.06 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= -0.0473 K(o=-0.047,f=-0.67) USER MOD Single : B 686 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 689 TYR OH : rot 180:sc= 0 USER MOD Single : B 696 GLN : amide:sc= 0.248 X(o=0.25,f=-0.12) USER MOD Single : B 697 LYS NZ :NH3+ 165:sc= 1.01 (180deg=0.863) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.483 -1.796 -3.032 1.00 0.00 N ATOM 2 CA MET A 1 4.753 -1.865 -4.506 1.00 0.00 C ATOM 3 C MET A 1 4.493 -0.518 -5.180 1.00 0.00 C ATOM 4 O MET A 1 3.937 0.370 -4.546 1.00 0.00 O ATOM 5 CB MET A 1 3.963 -2.986 -5.225 1.00 0.00 C ATOM 6 CG MET A 1 2.449 -2.810 -5.444 1.00 0.00 C ATOM 7 SD MET A 1 1.732 -4.312 -6.168 1.00 0.00 S ATOM 8 CE MET A 1 0.209 -3.752 -6.983 1.00 0.00 C ATOM 0 H1 MET A 1 4.569 -2.746 -2.618 1.00 0.00 H new ATOM 0 H2 MET A 1 5.171 -1.159 -2.582 1.00 0.00 H new ATOM 0 H3 MET A 1 3.521 -1.435 -2.872 1.00 0.00 H new ATOM 0 HA MET A 1 5.810 -2.115 -4.601 1.00 0.00 H new ATOM 0 HB2 MET A 1 4.421 -3.137 -6.202 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.109 -3.906 -4.659 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.962 -2.589 -4.494 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.267 -1.960 -6.101 1.00 0.00 H new ATOM 0 HE1 MET A 1 -0.261 -4.593 -7.493 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.477 -3.351 -6.237 1.00 0.00 H new ATOM 0 HE3 MET A 1 0.449 -2.975 -7.709 1.00 0.00 H new ATOM 20 N GLN A 2 4.776 -0.378 -6.479 1.00 0.00 N ATOM 21 CA GLN A 2 4.477 0.816 -7.258 1.00 0.00 C ATOM 22 C GLN A 2 3.701 0.431 -8.510 1.00 0.00 C ATOM 23 O GLN A 2 3.830 -0.698 -8.982 1.00 0.00 O ATOM 24 CB GLN A 2 5.787 1.570 -7.563 1.00 0.00 C ATOM 25 CG GLN A 2 6.628 1.119 -8.782 1.00 0.00 C ATOM 26 CD GLN A 2 7.305 -0.255 -8.665 1.00 0.00 C ATOM 27 OE1 GLN A 2 6.684 -1.250 -8.308 1.00 0.00 O ATOM 28 NE2 GLN A 2 8.585 -0.358 -8.983 1.00 0.00 N ATOM 0 H GLN A 2 5.229 -1.111 -7.025 1.00 0.00 H new ATOM 0 HA GLN A 2 3.841 1.497 -6.692 1.00 0.00 H new ATOM 0 HB2 GLN A 2 5.540 2.623 -7.701 1.00 0.00 H new ATOM 0 HB3 GLN A 2 6.421 1.505 -6.679 1.00 0.00 H new ATOM 0 HG2 GLN A 2 5.982 1.109 -9.660 1.00 0.00 H new ATOM 0 HG3 GLN A 2 7.400 1.867 -8.962 1.00 0.00 H new ATOM 0 HE21 GLN A 2 9.105 0.468 -9.280 1.00 0.00 H new ATOM 0 HE22 GLN A 2 9.052 -1.263 -8.931 1.00 0.00 H new ATOM 37 N ILE A 3 2.939 1.362 -9.077 1.00 0.00 N ATOM 38 CA ILE A 3 2.270 1.166 -10.371 1.00 0.00 C ATOM 39 C ILE A 3 2.316 2.458 -11.156 1.00 0.00 C ATOM 40 O ILE A 3 2.459 3.520 -10.562 1.00 0.00 O ATOM 41 CB ILE A 3 0.821 0.682 -10.172 1.00 0.00 C ATOM 42 CG1 ILE A 3 0.073 1.644 -9.221 1.00 0.00 C ATOM 43 CG2 ILE A 3 0.814 -0.783 -9.688 1.00 0.00 C ATOM 44 CD1 ILE A 3 -1.429 1.657 -9.449 1.00 0.00 C ATOM 0 H ILE A 3 2.764 2.275 -8.657 1.00 0.00 H new ATOM 0 HA ILE A 3 2.792 0.393 -10.934 1.00 0.00 H new ATOM 0 HB ILE A 3 0.285 0.697 -11.121 1.00 0.00 H new ATOM 0 HG12 ILE A 3 0.276 1.356 -8.189 1.00 0.00 H new ATOM 0 HG13 ILE A 3 0.464 2.653 -9.353 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -0.215 -1.116 -9.550 1.00 0.00 H new ATOM 0 HG22 ILE A 3 1.303 -1.414 -10.430 1.00 0.00 H new ATOM 0 HG23 ILE A 3 1.349 -0.856 -8.741 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -1.897 2.351 -8.751 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -1.639 1.973 -10.471 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -1.830 0.656 -9.289 1.00 0.00 H new ATOM 56 N PHE A 4 2.162 2.366 -12.467 1.00 0.00 N ATOM 57 CA PHE A 4 2.361 3.467 -13.399 1.00 0.00 C ATOM 58 C PHE A 4 1.018 3.839 -14.001 1.00 0.00 C ATOM 59 O PHE A 4 0.537 3.190 -14.918 1.00 0.00 O ATOM 60 CB PHE A 4 3.379 3.075 -14.481 1.00 0.00 C ATOM 61 CG PHE A 4 4.555 2.262 -13.993 1.00 0.00 C ATOM 62 CD1 PHE A 4 5.368 2.773 -12.975 1.00 0.00 C ATOM 63 CD2 PHE A 4 4.821 0.989 -14.522 1.00 0.00 C ATOM 64 CE1 PHE A 4 6.421 2.004 -12.456 1.00 0.00 C ATOM 65 CE2 PHE A 4 5.931 0.263 -14.065 1.00 0.00 C ATOM 66 CZ PHE A 4 6.730 0.761 -13.025 1.00 0.00 C ATOM 0 H PHE A 4 1.887 1.498 -12.927 1.00 0.00 H new ATOM 0 HA PHE A 4 2.767 4.334 -12.878 1.00 0.00 H new ATOM 0 HB2 PHE A 4 2.862 2.508 -15.255 1.00 0.00 H new ATOM 0 HB3 PHE A 4 3.756 3.984 -14.949 1.00 0.00 H new ATOM 0 HD1 PHE A 4 5.184 3.764 -12.587 1.00 0.00 H new ATOM 0 HD2 PHE A 4 4.173 0.570 -15.278 1.00 0.00 H new ATOM 0 HE1 PHE A 4 6.994 2.371 -11.617 1.00 0.00 H new ATOM 0 HE2 PHE A 4 6.172 -0.687 -14.518 1.00 0.00 H new ATOM 0 HZ PHE A 4 7.575 0.192 -12.666 1.00 0.00 H new ATOM 76 N VAL A 5 0.360 4.857 -13.487 1.00 0.00 N ATOM 77 CA VAL A 5 -0.938 5.262 -14.018 1.00 0.00 C ATOM 78 C VAL A 5 -0.665 6.233 -15.158 1.00 0.00 C ATOM 79 O VAL A 5 -0.337 7.393 -14.922 1.00 0.00 O ATOM 80 CB VAL A 5 -1.851 5.783 -12.897 1.00 0.00 C ATOM 81 CG1 VAL A 5 -3.243 6.127 -13.430 1.00 0.00 C ATOM 82 CG2 VAL A 5 -1.999 4.713 -11.808 1.00 0.00 C ATOM 0 H VAL A 5 0.695 5.421 -12.706 1.00 0.00 H new ATOM 0 HA VAL A 5 -1.505 4.427 -14.429 1.00 0.00 H new ATOM 0 HB VAL A 5 -1.393 6.684 -12.489 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -3.865 6.493 -12.613 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -3.159 6.898 -14.196 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -3.698 5.235 -13.862 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -2.647 5.087 -11.016 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -2.436 3.813 -12.240 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -1.019 4.477 -11.394 1.00 0.00 H new ATOM 92 N LYS A 6 -0.735 5.764 -16.402 1.00 0.00 N ATOM 93 CA LYS A 6 -0.689 6.644 -17.562 1.00 0.00 C ATOM 94 C LYS A 6 -1.962 7.455 -17.553 1.00 0.00 C ATOM 95 O LYS A 6 -3.045 6.884 -17.516 1.00 0.00 O ATOM 96 CB LYS A 6 -0.594 5.826 -18.851 1.00 0.00 C ATOM 97 CG LYS A 6 -0.123 6.727 -20.007 1.00 0.00 C ATOM 98 CD LYS A 6 -0.463 6.090 -21.358 1.00 0.00 C ATOM 99 CE LYS A 6 0.487 6.584 -22.461 1.00 0.00 C ATOM 100 NZ LYS A 6 0.594 5.616 -23.592 1.00 0.00 N ATOM 0 H LYS A 6 -0.824 4.774 -16.631 1.00 0.00 H new ATOM 0 HA LYS A 6 0.186 7.292 -17.518 1.00 0.00 H new ATOM 0 HB2 LYS A 6 0.102 4.998 -18.717 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -1.565 5.391 -19.089 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -0.598 7.705 -19.930 1.00 0.00 H new ATOM 0 HG3 LYS A 6 0.953 6.888 -19.935 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -0.398 5.005 -21.278 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -1.492 6.329 -21.627 1.00 0.00 H new ATOM 0 HE2 LYS A 6 0.134 7.543 -22.839 1.00 0.00 H new ATOM 0 HE3 LYS A 6 1.476 6.754 -22.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 1.163 6.035 -24.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 1.050 4.743 -23.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -0.357 5.395 -23.951 1.00 0.00 H new ATOM 114 N THR A 7 -1.871 8.769 -17.588 1.00 0.00 N ATOM 115 CA THR A 7 -3.059 9.551 -17.762 1.00 0.00 C ATOM 116 C THR A 7 -3.425 9.631 -19.218 1.00 0.00 C ATOM 117 O THR A 7 -2.596 9.397 -20.095 1.00 0.00 O ATOM 118 CB THR A 7 -2.894 10.920 -17.150 1.00 0.00 C ATOM 119 OG1 THR A 7 -1.790 11.535 -17.778 1.00 0.00 O ATOM 120 CG2 THR A 7 -2.663 10.849 -15.650 1.00 0.00 C ATOM 0 H THR A 7 -1.005 9.300 -17.500 1.00 0.00 H new ATOM 0 HA THR A 7 -3.881 9.060 -17.240 1.00 0.00 H new ATOM 0 HB THR A 7 -3.808 11.494 -17.301 1.00 0.00 H new ATOM 0 HG1 THR A 7 -0.959 11.148 -17.431 1.00 0.00 H new ATOM 0 HG21 THR A 7 -2.550 11.857 -15.251 1.00 0.00 H new ATOM 0 HG22 THR A 7 -3.515 10.364 -15.173 1.00 0.00 H new ATOM 0 HG23 THR A 7 -1.759 10.275 -15.448 1.00 0.00 H new ATOM 128 N LEU A 8 -4.661 10.050 -19.469 1.00 0.00 N ATOM 129 CA LEU A 8 -5.076 10.277 -20.843 1.00 0.00 C ATOM 130 C LEU A 8 -4.238 11.362 -21.522 1.00 0.00 C ATOM 131 O LEU A 8 -4.204 11.334 -22.742 1.00 0.00 O ATOM 132 CB LEU A 8 -6.567 10.595 -21.013 1.00 0.00 C ATOM 133 CG LEU A 8 -7.586 9.461 -20.825 1.00 0.00 C ATOM 134 CD1 LEU A 8 -8.898 9.733 -21.554 1.00 0.00 C ATOM 135 CD2 LEU A 8 -7.063 8.093 -21.268 1.00 0.00 C ATOM 0 H LEU A 8 -5.372 10.234 -18.761 1.00 0.00 H new ATOM 0 HA LEU A 8 -4.902 9.320 -21.335 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -6.819 11.387 -20.308 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -6.707 11.003 -22.014 1.00 0.00 H new ATOM 0 HG LEU A 8 -7.761 9.434 -19.750 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -9.584 8.902 -21.390 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -9.343 10.652 -21.172 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -8.706 9.839 -22.622 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -7.834 7.339 -21.107 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -6.804 8.128 -22.326 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -6.178 7.836 -20.686 1.00 0.00 H new ATOM 147 N THR A 9 -3.550 12.271 -20.814 1.00 0.00 N ATOM 148 CA THR A 9 -2.727 13.287 -21.473 1.00 0.00 C ATOM 149 C THR A 9 -1.425 12.651 -21.993 1.00 0.00 C ATOM 150 O THR A 9 -0.697 13.247 -22.791 1.00 0.00 O ATOM 151 CB THR A 9 -2.495 14.523 -20.581 1.00 0.00 C ATOM 152 OG1 THR A 9 -1.675 15.496 -21.191 1.00 0.00 O ATOM 153 CG2 THR A 9 -1.970 14.247 -19.175 1.00 0.00 C ATOM 0 H THR A 9 -3.549 12.321 -19.795 1.00 0.00 H new ATOM 0 HA THR A 9 -3.270 13.669 -22.337 1.00 0.00 H new ATOM 0 HB THR A 9 -3.509 14.906 -20.464 1.00 0.00 H new ATOM 0 HG1 THR A 9 -1.132 15.075 -21.889 1.00 0.00 H new ATOM 0 HG21 THR A 9 -1.846 15.189 -18.642 1.00 0.00 H new ATOM 0 HG22 THR A 9 -2.680 13.617 -18.639 1.00 0.00 H new ATOM 0 HG23 THR A 9 -1.009 13.737 -19.239 1.00 0.00 H new ATOM 161 N GLY A 10 -1.112 11.424 -21.552 1.00 0.00 N ATOM 162 CA GLY A 10 0.165 10.797 -21.822 1.00 0.00 C ATOM 163 C GLY A 10 1.187 11.159 -20.759 1.00 0.00 C ATOM 164 O GLY A 10 2.361 11.317 -21.096 1.00 0.00 O ATOM 0 H GLY A 10 -1.746 10.848 -20.999 1.00 0.00 H new ATOM 0 HA2 GLY A 10 0.042 9.715 -21.859 1.00 0.00 H new ATOM 0 HA3 GLY A 10 0.528 11.110 -22.801 1.00 0.00 H new ATOM 168 N LYS A 11 0.773 11.289 -19.487 1.00 0.00 N ATOM 169 CA LYS A 11 1.724 11.457 -18.391 1.00 0.00 C ATOM 170 C LYS A 11 1.619 10.221 -17.540 1.00 0.00 C ATOM 171 O LYS A 11 0.565 9.972 -16.967 1.00 0.00 O ATOM 172 CB LYS A 11 1.431 12.745 -17.604 1.00 0.00 C ATOM 173 CG LYS A 11 2.363 12.895 -16.389 1.00 0.00 C ATOM 174 CD LYS A 11 1.821 12.412 -15.033 1.00 0.00 C ATOM 175 CE LYS A 11 0.621 13.210 -14.505 1.00 0.00 C ATOM 176 NZ LYS A 11 0.937 14.628 -14.172 1.00 0.00 N ATOM 0 H LYS A 11 -0.206 11.280 -19.201 1.00 0.00 H new ATOM 0 HA LYS A 11 2.745 11.568 -18.757 1.00 0.00 H new ATOM 0 HB2 LYS A 11 1.548 13.607 -18.261 1.00 0.00 H new ATOM 0 HB3 LYS A 11 0.394 12.738 -17.268 1.00 0.00 H new ATOM 0 HG2 LYS A 11 3.284 12.352 -16.599 1.00 0.00 H new ATOM 0 HG3 LYS A 11 2.628 13.948 -16.293 1.00 0.00 H new ATOM 0 HD2 LYS A 11 1.533 11.365 -15.124 1.00 0.00 H new ATOM 0 HD3 LYS A 11 2.624 12.459 -14.298 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -0.172 13.191 -15.252 1.00 0.00 H new ATOM 0 HE3 LYS A 11 0.232 12.716 -13.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 0.108 15.073 -13.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 1.741 14.659 -13.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 1.182 15.143 -15.042 1.00 0.00 H new ATOM 190 N THR A 12 2.677 9.447 -17.414 1.00 0.00 N ATOM 191 CA THR A 12 2.670 8.316 -16.510 1.00 0.00 C ATOM 192 C THR A 12 3.051 8.813 -15.124 1.00 0.00 C ATOM 193 O THR A 12 4.148 9.326 -14.910 1.00 0.00 O ATOM 194 CB THR A 12 3.561 7.186 -17.052 1.00 0.00 C ATOM 195 OG1 THR A 12 3.764 7.304 -18.457 1.00 0.00 O ATOM 196 CG2 THR A 12 2.843 5.860 -16.794 1.00 0.00 C ATOM 0 H THR A 12 3.550 9.580 -17.924 1.00 0.00 H new ATOM 0 HA THR A 12 1.677 7.872 -16.432 1.00 0.00 H new ATOM 0 HB THR A 12 4.530 7.238 -16.555 1.00 0.00 H new ATOM 0 HG1 THR A 12 4.336 6.571 -18.768 1.00 0.00 H new ATOM 0 HG21 THR A 12 3.452 5.037 -17.169 1.00 0.00 H new ATOM 0 HG22 THR A 12 2.684 5.735 -15.723 1.00 0.00 H new ATOM 0 HG23 THR A 12 1.881 5.861 -17.306 1.00 0.00 H new ATOM 204 N ILE A 13 2.106 8.679 -14.189 1.00 0.00 N ATOM 205 CA ILE A 13 2.317 8.973 -12.786 1.00 0.00 C ATOM 206 C ILE A 13 2.491 7.649 -12.073 1.00 0.00 C ATOM 207 O ILE A 13 1.560 6.854 -11.985 1.00 0.00 O ATOM 208 CB ILE A 13 1.228 9.907 -12.209 1.00 0.00 C ATOM 209 CG1 ILE A 13 1.044 9.803 -10.674 1.00 0.00 C ATOM 210 CG2 ILE A 13 -0.151 9.885 -12.880 1.00 0.00 C ATOM 211 CD1 ILE A 13 -0.256 9.162 -10.162 1.00 0.00 C ATOM 0 H ILE A 13 1.161 8.357 -14.399 1.00 0.00 H new ATOM 0 HA ILE A 13 3.224 9.558 -12.633 1.00 0.00 H new ATOM 0 HB ILE A 13 1.669 10.871 -12.462 1.00 0.00 H new ATOM 0 HG12 ILE A 13 1.882 9.234 -10.272 1.00 0.00 H new ATOM 0 HG13 ILE A 13 1.112 10.808 -10.257 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -0.813 10.587 -12.373 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -0.051 10.172 -13.927 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -0.570 8.881 -12.817 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -0.253 9.154 -9.072 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -1.110 9.738 -10.518 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -0.328 8.139 -10.532 1.00 0.00 H new ATOM 223 N THR A 14 3.693 7.416 -11.573 1.00 0.00 N ATOM 224 CA THR A 14 3.966 6.270 -10.733 1.00 0.00 C ATOM 225 C THR A 14 3.414 6.591 -9.348 1.00 0.00 C ATOM 226 O THR A 14 3.519 7.730 -8.886 1.00 0.00 O ATOM 227 CB THR A 14 5.475 6.013 -10.682 1.00 0.00 C ATOM 228 OG1 THR A 14 6.011 6.038 -11.996 1.00 0.00 O ATOM 229 CG2 THR A 14 5.798 4.658 -10.011 1.00 0.00 C ATOM 0 H THR A 14 4.502 8.015 -11.739 1.00 0.00 H new ATOM 0 HA THR A 14 3.496 5.367 -11.123 1.00 0.00 H new ATOM 0 HB THR A 14 5.930 6.802 -10.083 1.00 0.00 H new ATOM 0 HG1 THR A 14 6.977 5.875 -11.959 1.00 0.00 H new ATOM 0 HG21 THR A 14 6.878 4.509 -9.992 1.00 0.00 H new ATOM 0 HG22 THR A 14 5.414 4.656 -8.991 1.00 0.00 H new ATOM 0 HG23 THR A 14 5.330 3.852 -10.576 1.00 0.00 H new ATOM 237 N LEU A 15 2.865 5.594 -8.663 1.00 0.00 N ATOM 238 CA LEU A 15 2.453 5.740 -7.279 1.00 0.00 C ATOM 239 C LEU A 15 2.688 4.459 -6.532 1.00 0.00 C ATOM 240 O LEU A 15 2.716 3.404 -7.154 1.00 0.00 O ATOM 241 CB LEU A 15 0.983 6.174 -7.188 1.00 0.00 C ATOM 242 CG LEU A 15 -0.071 5.168 -7.672 1.00 0.00 C ATOM 243 CD1 LEU A 15 -1.317 5.260 -6.796 1.00 0.00 C ATOM 244 CD2 LEU A 15 -0.495 5.461 -9.087 1.00 0.00 C ATOM 0 H LEU A 15 2.695 4.667 -9.053 1.00 0.00 H new ATOM 0 HA LEU A 15 3.055 6.522 -6.817 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.766 6.419 -6.148 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.864 7.092 -7.763 1.00 0.00 H new ATOM 0 HG LEU A 15 0.378 4.176 -7.617 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.061 4.544 -7.145 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.053 5.035 -5.763 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.729 6.268 -6.854 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.242 4.732 -9.401 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.921 6.463 -9.139 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.371 5.401 -9.746 1.00 0.00 H new ATOM 256 N GLU A 16 2.785 4.547 -5.212 1.00 0.00 N ATOM 257 CA GLU A 16 3.027 3.394 -4.373 1.00 0.00 C ATOM 258 C GLU A 16 1.713 2.957 -3.754 1.00 0.00 C ATOM 259 O GLU A 16 0.924 3.764 -3.251 1.00 0.00 O ATOM 260 CB GLU A 16 4.115 3.685 -3.332 1.00 0.00 C ATOM 261 CG GLU A 16 5.495 3.608 -3.993 1.00 0.00 C ATOM 262 CD GLU A 16 6.622 3.835 -2.971 1.00 0.00 C ATOM 263 OE1 GLU A 16 7.101 2.844 -2.367 1.00 0.00 O ATOM 264 OE2 GLU A 16 7.053 4.997 -2.778 1.00 0.00 O ATOM 0 H GLU A 16 2.697 5.424 -4.698 1.00 0.00 H new ATOM 0 HA GLU A 16 3.410 2.568 -4.972 1.00 0.00 H new ATOM 0 HB2 GLU A 16 3.963 4.674 -2.899 1.00 0.00 H new ATOM 0 HB3 GLU A 16 4.052 2.966 -2.515 1.00 0.00 H new ATOM 0 HG2 GLU A 16 5.620 2.633 -4.464 1.00 0.00 H new ATOM 0 HG3 GLU A 16 5.563 4.355 -4.784 1.00 0.00 H new ATOM 271 N VAL A 17 1.476 1.657 -3.861 1.00 0.00 N ATOM 272 CA VAL A 17 0.225 0.967 -3.562 1.00 0.00 C ATOM 273 C VAL A 17 0.537 -0.415 -2.974 1.00 0.00 C ATOM 274 O VAL A 17 1.694 -0.779 -2.766 1.00 0.00 O ATOM 275 CB VAL A 17 -0.612 0.851 -4.861 1.00 0.00 C ATOM 276 CG1 VAL A 17 -0.941 2.205 -5.487 1.00 0.00 C ATOM 277 CG2 VAL A 17 0.103 -0.006 -5.923 1.00 0.00 C ATOM 0 H VAL A 17 2.199 1.012 -4.180 1.00 0.00 H new ATOM 0 HA VAL A 17 -0.354 1.527 -2.828 1.00 0.00 H new ATOM 0 HB VAL A 17 -1.542 0.373 -4.553 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.528 2.054 -6.393 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -1.514 2.804 -4.779 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -0.016 2.725 -5.737 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -0.514 -0.064 -6.819 1.00 0.00 H new ATOM 0 HG22 VAL A 17 1.062 0.448 -6.172 1.00 0.00 H new ATOM 0 HG23 VAL A 17 0.268 -1.009 -5.530 1.00 0.00 H new ATOM 287 N GLU A 18 -0.501 -1.230 -2.830 1.00 0.00 N ATOM 288 CA GLU A 18 -0.443 -2.648 -2.499 1.00 0.00 C ATOM 289 C GLU A 18 -1.323 -3.340 -3.540 1.00 0.00 C ATOM 290 O GLU A 18 -2.241 -2.694 -4.041 1.00 0.00 O ATOM 291 CB GLU A 18 -1.012 -2.905 -1.091 1.00 0.00 C ATOM 292 CG GLU A 18 -0.348 -2.058 -0.003 1.00 0.00 C ATOM 293 CD GLU A 18 -0.810 -2.488 1.401 1.00 0.00 C ATOM 294 OE1 GLU A 18 -1.831 -1.952 1.894 1.00 0.00 O ATOM 295 OE2 GLU A 18 -0.151 -3.357 2.017 1.00 0.00 O ATOM 0 H GLU A 18 -1.459 -0.900 -2.948 1.00 0.00 H new ATOM 0 HA GLU A 18 0.583 -3.016 -2.505 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -2.083 -2.701 -1.097 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -0.890 -3.960 -0.845 1.00 0.00 H new ATOM 0 HG2 GLU A 18 0.735 -2.152 -0.076 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -0.588 -1.006 -0.161 1.00 0.00 H new ATOM 302 N PRO A 19 -1.135 -4.629 -3.855 1.00 0.00 N ATOM 303 CA PRO A 19 -2.092 -5.359 -4.678 1.00 0.00 C ATOM 304 C PRO A 19 -3.526 -5.300 -4.117 1.00 0.00 C ATOM 305 O PRO A 19 -4.493 -5.216 -4.862 1.00 0.00 O ATOM 306 CB PRO A 19 -1.564 -6.791 -4.757 1.00 0.00 C ATOM 307 CG PRO A 19 -0.101 -6.721 -4.342 1.00 0.00 C ATOM 308 CD PRO A 19 -0.015 -5.471 -3.470 1.00 0.00 C ATOM 0 HA PRO A 19 -2.172 -4.910 -5.668 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -2.126 -7.451 -4.096 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -1.665 -7.189 -5.767 1.00 0.00 H new ATOM 0 HG2 PRO A 19 0.199 -7.612 -3.790 1.00 0.00 H new ATOM 0 HG3 PRO A 19 0.555 -6.647 -5.209 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -0.068 -5.730 -2.413 1.00 0.00 H new ATOM 0 HD3 PRO A 19 0.932 -4.953 -3.624 1.00 0.00 H new ATOM 316 N SER A 20 -3.679 -5.226 -2.795 1.00 0.00 N ATOM 317 CA SER A 20 -4.974 -5.195 -2.123 1.00 0.00 C ATOM 318 C SER A 20 -5.420 -3.758 -1.906 1.00 0.00 C ATOM 319 O SER A 20 -6.418 -3.521 -1.220 1.00 0.00 O ATOM 320 CB SER A 20 -4.887 -5.986 -0.807 1.00 0.00 C ATOM 321 OG SER A 20 -4.336 -7.279 -1.027 1.00 0.00 O ATOM 0 H SER A 20 -2.890 -5.185 -2.150 1.00 0.00 H new ATOM 0 HA SER A 20 -5.730 -5.671 -2.748 1.00 0.00 H new ATOM 0 HB2 SER A 20 -4.272 -5.441 -0.091 1.00 0.00 H new ATOM 0 HB3 SER A 20 -5.880 -6.080 -0.368 1.00 0.00 H new ATOM 0 HG SER A 20 -4.289 -7.763 -0.176 1.00 0.00 H new ATOM 327 N ASP A 21 -4.693 -2.790 -2.475 1.00 0.00 N ATOM 328 CA ASP A 21 -5.136 -1.422 -2.416 1.00 0.00 C ATOM 329 C ASP A 21 -6.334 -1.276 -3.339 1.00 0.00 C ATOM 330 O ASP A 21 -6.344 -1.794 -4.467 1.00 0.00 O ATOM 331 CB ASP A 21 -4.033 -0.435 -2.786 1.00 0.00 C ATOM 332 CG ASP A 21 -4.345 0.983 -2.303 1.00 0.00 C ATOM 333 OD1 ASP A 21 -5.133 1.132 -1.345 1.00 0.00 O ATOM 334 OD2 ASP A 21 -3.726 1.937 -2.825 1.00 0.00 O ATOM 0 H ASP A 21 -3.813 -2.939 -2.969 1.00 0.00 H new ATOM 0 HA ASP A 21 -5.415 -1.183 -1.390 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -3.090 -0.766 -2.352 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -3.901 -0.428 -3.868 1.00 0.00 H new ATOM 339 N THR A 22 -7.370 -0.620 -2.840 1.00 0.00 N ATOM 340 CA THR A 22 -8.582 -0.405 -3.598 1.00 0.00 C ATOM 341 C THR A 22 -8.380 0.670 -4.639 1.00 0.00 C ATOM 342 O THR A 22 -7.663 1.652 -4.434 1.00 0.00 O ATOM 343 CB THR A 22 -9.784 -0.045 -2.719 1.00 0.00 C ATOM 344 OG1 THR A 22 -9.420 0.924 -1.743 1.00 0.00 O ATOM 345 CG2 THR A 22 -10.351 -1.288 -2.045 1.00 0.00 C ATOM 0 H THR A 22 -7.390 -0.224 -1.900 1.00 0.00 H new ATOM 0 HA THR A 22 -8.805 -1.355 -4.084 1.00 0.00 H new ATOM 0 HB THR A 22 -10.556 0.382 -3.360 1.00 0.00 H new ATOM 0 HG1 THR A 22 -10.201 1.143 -1.192 1.00 0.00 H new ATOM 0 HG21 THR A 22 -11.204 -1.009 -1.426 1.00 0.00 H new ATOM 0 HG22 THR A 22 -10.672 -2.000 -2.805 1.00 0.00 H new ATOM 0 HG23 THR A 22 -9.583 -1.746 -1.421 1.00 0.00 H new ATOM 353 N ILE A 23 -9.097 0.505 -5.743 1.00 0.00 N ATOM 354 CA ILE A 23 -9.226 1.521 -6.771 1.00 0.00 C ATOM 355 C ILE A 23 -9.579 2.879 -6.154 1.00 0.00 C ATOM 356 O ILE A 23 -8.988 3.865 -6.576 1.00 0.00 O ATOM 357 CB ILE A 23 -10.283 1.080 -7.790 1.00 0.00 C ATOM 358 CG1 ILE A 23 -9.996 -0.290 -8.434 1.00 0.00 C ATOM 359 CG2 ILE A 23 -10.490 2.130 -8.899 1.00 0.00 C ATOM 360 CD1 ILE A 23 -8.534 -0.692 -8.630 1.00 0.00 C ATOM 0 H ILE A 23 -9.611 -0.351 -5.949 1.00 0.00 H new ATOM 0 HA ILE A 23 -8.271 1.638 -7.284 1.00 0.00 H new ATOM 0 HB ILE A 23 -11.198 0.981 -7.206 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -10.475 -1.055 -7.822 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -10.483 -0.311 -9.409 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -11.247 1.776 -9.599 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -10.818 3.069 -8.454 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -9.551 2.288 -9.430 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -8.487 -1.678 -9.093 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -8.040 0.035 -9.274 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -8.032 -0.720 -7.663 1.00 0.00 H new ATOM 372 N GLU A 24 -10.474 2.958 -5.165 1.00 0.00 N ATOM 373 CA GLU A 24 -10.839 4.240 -4.557 1.00 0.00 C ATOM 374 C GLU A 24 -9.610 4.940 -3.982 1.00 0.00 C ATOM 375 O GLU A 24 -9.383 6.126 -4.230 1.00 0.00 O ATOM 376 CB GLU A 24 -11.867 4.009 -3.438 1.00 0.00 C ATOM 377 CG GLU A 24 -12.467 5.325 -2.933 1.00 0.00 C ATOM 378 CD GLU A 24 -13.515 5.062 -1.837 1.00 0.00 C ATOM 379 OE1 GLU A 24 -13.134 4.988 -0.644 1.00 0.00 O ATOM 380 OE2 GLU A 24 -14.720 4.947 -2.163 1.00 0.00 O ATOM 0 H GLU A 24 -10.958 2.152 -4.770 1.00 0.00 H new ATOM 0 HA GLU A 24 -11.271 4.875 -5.330 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -12.665 3.364 -3.806 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -11.390 3.486 -2.609 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -11.676 5.964 -2.540 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -12.928 5.862 -3.762 1.00 0.00 H new ATOM 387 N ASN A 25 -8.787 4.197 -3.245 1.00 0.00 N ATOM 388 CA ASN A 25 -7.635 4.777 -2.570 1.00 0.00 C ATOM 389 C ASN A 25 -6.525 5.081 -3.570 1.00 0.00 C ATOM 390 O ASN A 25 -5.846 6.098 -3.459 1.00 0.00 O ATOM 391 CB ASN A 25 -7.154 3.832 -1.471 1.00 0.00 C ATOM 392 CG ASN A 25 -6.048 4.455 -0.628 1.00 0.00 C ATOM 393 OD1 ASN A 25 -6.085 5.630 -0.277 1.00 0.00 O ATOM 394 ND2 ASN A 25 -5.061 3.665 -0.254 1.00 0.00 N ATOM 0 H ASN A 25 -8.899 3.193 -3.102 1.00 0.00 H new ATOM 0 HA ASN A 25 -7.925 5.721 -2.108 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -7.993 3.566 -0.829 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -6.791 2.908 -1.921 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -4.313 4.028 0.336 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -5.046 2.691 -0.555 1.00 0.00 H new ATOM 401 N VAL A 26 -6.401 4.270 -4.619 1.00 0.00 N ATOM 402 CA VAL A 26 -5.538 4.540 -5.754 1.00 0.00 C ATOM 403 C VAL A 26 -5.963 5.859 -6.403 1.00 0.00 C ATOM 404 O VAL A 26 -5.136 6.757 -6.519 1.00 0.00 O ATOM 405 CB VAL A 26 -5.621 3.324 -6.690 1.00 0.00 C ATOM 406 CG1 VAL A 26 -5.045 3.606 -8.078 1.00 0.00 C ATOM 407 CG2 VAL A 26 -4.938 2.090 -6.090 1.00 0.00 C ATOM 0 H VAL A 26 -6.911 3.390 -4.700 1.00 0.00 H new ATOM 0 HA VAL A 26 -4.493 4.670 -5.471 1.00 0.00 H new ATOM 0 HB VAL A 26 -6.685 3.117 -6.803 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -5.130 2.712 -8.696 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -5.598 4.422 -8.542 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.995 3.885 -7.987 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -5.021 1.254 -6.785 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -3.886 2.309 -5.909 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -5.421 1.828 -5.149 1.00 0.00 H new ATOM 417 N LYS A 27 -7.238 6.039 -6.767 1.00 0.00 N ATOM 418 CA LYS A 27 -7.716 7.301 -7.331 1.00 0.00 C ATOM 419 C LYS A 27 -7.457 8.471 -6.380 1.00 0.00 C ATOM 420 O LYS A 27 -7.165 9.566 -6.853 1.00 0.00 O ATOM 421 CB LYS A 27 -9.235 7.276 -7.603 1.00 0.00 C ATOM 422 CG LYS A 27 -9.807 6.383 -8.717 1.00 0.00 C ATOM 423 CD LYS A 27 -11.282 6.791 -8.905 1.00 0.00 C ATOM 424 CE LYS A 27 -12.162 5.771 -9.626 1.00 0.00 C ATOM 425 NZ LYS A 27 -13.585 6.236 -9.630 1.00 0.00 N ATOM 0 H LYS A 27 -7.958 5.322 -6.679 1.00 0.00 H new ATOM 0 HA LYS A 27 -7.168 7.429 -8.264 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -9.725 6.987 -6.673 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -9.541 8.299 -7.820 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -9.248 6.516 -9.644 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -9.729 5.330 -8.446 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -11.714 6.988 -7.924 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -11.313 7.728 -9.461 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -11.812 5.635 -10.649 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -12.089 4.802 -9.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -14.140 5.662 -8.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -13.625 7.235 -9.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -13.981 6.134 -10.586 1.00 0.00 H new ATOM 439 N ALA A 28 -7.538 8.276 -5.063 1.00 0.00 N ATOM 440 CA ALA A 28 -7.247 9.341 -4.101 1.00 0.00 C ATOM 441 C ALA A 28 -5.765 9.713 -4.132 1.00 0.00 C ATOM 442 O ALA A 28 -5.423 10.885 -4.026 1.00 0.00 O ATOM 443 CB ALA A 28 -7.666 8.920 -2.694 1.00 0.00 C ATOM 0 H ALA A 28 -7.803 7.388 -4.637 1.00 0.00 H new ATOM 0 HA ALA A 28 -7.823 10.222 -4.384 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -7.442 9.723 -1.992 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -8.736 8.713 -2.680 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -7.119 8.023 -2.405 1.00 0.00 H new ATOM 449 N LYS A 29 -4.868 8.753 -4.370 1.00 0.00 N ATOM 450 CA LYS A 29 -3.457 9.077 -4.607 1.00 0.00 C ATOM 451 C LYS A 29 -3.309 9.813 -5.934 1.00 0.00 C ATOM 452 O LYS A 29 -2.495 10.719 -6.057 1.00 0.00 O ATOM 453 CB LYS A 29 -2.616 7.804 -4.581 1.00 0.00 C ATOM 454 CG LYS A 29 -2.573 7.216 -3.169 1.00 0.00 C ATOM 455 CD LYS A 29 -1.946 5.817 -3.170 1.00 0.00 C ATOM 456 CE LYS A 29 -1.867 5.264 -1.741 1.00 0.00 C ATOM 457 NZ LYS A 29 -0.477 5.277 -1.198 1.00 0.00 N ATOM 0 H LYS A 29 -5.088 7.758 -4.404 1.00 0.00 H new ATOM 0 HA LYS A 29 -3.098 9.733 -3.814 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -3.033 7.072 -5.273 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -1.604 8.023 -4.920 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -2.000 7.874 -2.516 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -3.583 7.164 -2.763 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -2.538 5.147 -3.794 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -0.948 5.859 -3.606 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -2.513 5.854 -1.091 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -2.249 4.243 -1.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -0.464 4.817 -0.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 0.154 4.764 -1.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -0.150 6.260 -1.103 1.00 0.00 H new ATOM 471 N ILE A 30 -4.141 9.502 -6.928 1.00 0.00 N ATOM 472 CA ILE A 30 -4.140 10.309 -8.151 1.00 0.00 C ATOM 473 C ILE A 30 -4.598 11.720 -7.843 1.00 0.00 C ATOM 474 O ILE A 30 -4.025 12.633 -8.380 1.00 0.00 O ATOM 475 CB ILE A 30 -4.968 9.722 -9.302 1.00 0.00 C ATOM 476 CG1 ILE A 30 -4.772 8.231 -9.564 1.00 0.00 C ATOM 477 CG2 ILE A 30 -4.642 10.526 -10.574 1.00 0.00 C ATOM 478 CD1 ILE A 30 -3.333 7.777 -9.622 1.00 0.00 C ATOM 0 H ILE A 30 -4.803 8.726 -6.916 1.00 0.00 H new ATOM 0 HA ILE A 30 -3.109 10.311 -8.503 1.00 0.00 H new ATOM 0 HB ILE A 30 -6.014 9.808 -9.007 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -5.283 7.670 -8.782 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -5.256 7.976 -10.507 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -5.217 10.131 -11.411 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -4.900 11.573 -10.419 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -3.578 10.444 -10.794 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -3.297 6.704 -9.812 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -2.817 8.305 -10.424 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -2.845 7.994 -8.672 1.00 0.00 H new ATOM 490 N GLN A 31 -5.565 11.948 -6.976 1.00 0.00 N ATOM 491 CA GLN A 31 -5.967 13.289 -6.548 1.00 0.00 C ATOM 492 C GLN A 31 -4.776 14.024 -5.924 1.00 0.00 C ATOM 493 O GLN A 31 -4.605 15.211 -6.176 1.00 0.00 O ATOM 494 CB GLN A 31 -7.152 13.219 -5.579 1.00 0.00 C ATOM 495 CG GLN A 31 -7.795 14.579 -5.230 1.00 0.00 C ATOM 496 CD GLN A 31 -8.146 14.659 -3.741 1.00 0.00 C ATOM 497 OE1 GLN A 31 -7.341 15.097 -2.920 1.00 0.00 O ATOM 498 NE2 GLN A 31 -9.329 14.212 -3.348 1.00 0.00 N ATOM 0 H GLN A 31 -6.106 11.202 -6.539 1.00 0.00 H new ATOM 0 HA GLN A 31 -6.293 13.853 -7.422 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -7.917 12.573 -6.011 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -6.819 12.745 -4.656 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -7.109 15.386 -5.489 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -8.696 14.723 -5.827 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -9.991 13.850 -4.034 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -9.578 14.229 -2.359 1.00 0.00 H new ATOM 507 N ASP A 32 -3.920 13.318 -5.188 1.00 0.00 N ATOM 508 CA ASP A 32 -2.679 13.885 -4.661 1.00 0.00 C ATOM 509 C ASP A 32 -1.739 14.314 -5.798 1.00 0.00 C ATOM 510 O ASP A 32 -1.045 15.328 -5.669 1.00 0.00 O ATOM 511 CB ASP A 32 -2.003 12.909 -3.684 1.00 0.00 C ATOM 512 CG ASP A 32 -0.525 13.267 -3.430 1.00 0.00 C ATOM 513 OD1 ASP A 32 -0.256 14.191 -2.624 1.00 0.00 O ATOM 514 OD2 ASP A 32 0.368 12.590 -4.000 1.00 0.00 O ATOM 0 H ASP A 32 -4.066 12.339 -4.940 1.00 0.00 H new ATOM 0 HA ASP A 32 -2.925 14.785 -4.098 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -2.544 12.913 -2.737 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -2.066 11.897 -4.083 1.00 0.00 H new ATOM 519 N LYS A 33 -1.747 13.597 -6.937 1.00 0.00 N ATOM 520 CA LYS A 33 -0.781 13.823 -8.015 1.00 0.00 C ATOM 521 C LYS A 33 -1.291 14.751 -9.120 1.00 0.00 C ATOM 522 O LYS A 33 -0.524 15.503 -9.719 1.00 0.00 O ATOM 523 CB LYS A 33 -0.444 12.455 -8.599 1.00 0.00 C ATOM 524 CG LYS A 33 0.248 11.561 -7.556 1.00 0.00 C ATOM 525 CD LYS A 33 1.765 11.791 -7.519 1.00 0.00 C ATOM 526 CE LYS A 33 2.410 10.727 -6.628 1.00 0.00 C ATOM 527 NZ LYS A 33 2.438 11.135 -5.191 1.00 0.00 N ATOM 0 H LYS A 33 -2.418 12.853 -7.130 1.00 0.00 H new ATOM 0 HA LYS A 33 0.091 14.326 -7.598 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -1.356 11.971 -8.949 1.00 0.00 H new ATOM 0 HB3 LYS A 33 0.205 12.577 -9.466 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -0.173 11.760 -6.571 1.00 0.00 H new ATOM 0 HG3 LYS A 33 0.045 10.514 -7.784 1.00 0.00 H new ATOM 0 HD2 LYS A 33 2.178 11.739 -8.526 1.00 0.00 H new ATOM 0 HD3 LYS A 33 1.985 12.787 -7.135 1.00 0.00 H new ATOM 0 HE2 LYS A 33 1.861 9.791 -6.727 1.00 0.00 H new ATOM 0 HE3 LYS A 33 3.427 10.537 -6.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 2.523 10.289 -4.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 3.251 11.761 -5.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 1.559 11.639 -4.956 1.00 0.00 H new ATOM 541 N GLU A 34 -2.589 14.662 -9.393 1.00 0.00 N ATOM 542 CA GLU A 34 -3.280 15.256 -10.523 1.00 0.00 C ATOM 543 C GLU A 34 -4.232 16.366 -10.087 1.00 0.00 C ATOM 544 O GLU A 34 -4.401 17.359 -10.797 1.00 0.00 O ATOM 545 CB GLU A 34 -4.084 14.157 -11.247 1.00 0.00 C ATOM 546 CG GLU A 34 -3.212 13.277 -12.139 1.00 0.00 C ATOM 547 CD GLU A 34 -2.662 14.090 -13.327 1.00 0.00 C ATOM 548 OE1 GLU A 34 -1.592 14.718 -13.178 1.00 0.00 O ATOM 549 OE2 GLU A 34 -3.297 14.091 -14.403 1.00 0.00 O ATOM 0 H GLU A 34 -3.223 14.139 -8.790 1.00 0.00 H new ATOM 0 HA GLU A 34 -2.534 15.695 -11.186 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -4.585 13.533 -10.507 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -4.862 14.622 -11.852 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -2.386 12.866 -11.559 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -3.794 12.432 -12.507 1.00 0.00 H new ATOM 556 N GLY A 35 -4.868 16.190 -8.926 1.00 0.00 N ATOM 557 CA GLY A 35 -5.769 17.163 -8.323 1.00 0.00 C ATOM 558 C GLY A 35 -7.235 16.826 -8.571 1.00 0.00 C ATOM 559 O GLY A 35 -8.094 17.685 -8.371 1.00 0.00 O ATOM 0 H GLY A 35 -4.765 15.342 -8.368 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -5.586 17.208 -7.249 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -5.553 18.153 -8.725 1.00 0.00 H new ATOM 563 N ILE A 36 -7.542 15.599 -9.026 1.00 0.00 N ATOM 564 CA ILE A 36 -8.877 15.255 -9.498 1.00 0.00 C ATOM 565 C ILE A 36 -9.518 14.356 -8.448 1.00 0.00 C ATOM 566 O ILE A 36 -8.918 13.334 -8.118 1.00 0.00 O ATOM 567 CB ILE A 36 -8.752 14.505 -10.832 1.00 0.00 C ATOM 568 CG1 ILE A 36 -7.982 15.343 -11.876 1.00 0.00 C ATOM 569 CG2 ILE A 36 -10.154 14.172 -11.383 1.00 0.00 C ATOM 570 CD1 ILE A 36 -7.630 14.484 -13.081 1.00 0.00 C ATOM 0 H ILE A 36 -6.873 14.831 -9.073 1.00 0.00 H new ATOM 0 HA ILE A 36 -9.487 16.145 -9.650 1.00 0.00 H new ATOM 0 HB ILE A 36 -8.197 13.585 -10.647 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -8.588 16.193 -12.190 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -7.073 15.747 -11.430 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -10.056 13.640 -12.329 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -10.687 13.545 -10.668 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -10.711 15.095 -11.542 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -7.087 15.085 -13.810 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -7.006 13.649 -12.763 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -8.544 14.101 -13.535 1.00 0.00 H new ATOM 582 N PRO A 37 -10.731 14.652 -7.964 1.00 0.00 N ATOM 583 CA PRO A 37 -11.404 13.820 -6.979 1.00 0.00 C ATOM 584 C PRO A 37 -11.778 12.456 -7.555 1.00 0.00 C ATOM 585 O PRO A 37 -12.023 12.354 -8.755 1.00 0.00 O ATOM 586 CB PRO A 37 -12.623 14.621 -6.513 1.00 0.00 C ATOM 587 CG PRO A 37 -12.796 15.778 -7.498 1.00 0.00 C ATOM 588 CD PRO A 37 -11.539 15.789 -8.366 1.00 0.00 C ATOM 0 HA PRO A 37 -10.753 13.593 -6.135 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -13.514 13.993 -6.494 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -12.475 14.995 -5.500 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -13.689 15.640 -8.108 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -12.913 16.725 -6.970 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -11.800 15.722 -9.422 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -10.987 16.720 -8.233 1.00 0.00 H new ATOM 596 N PRO A 38 -11.885 11.404 -6.728 1.00 0.00 N ATOM 597 CA PRO A 38 -12.090 10.052 -7.227 1.00 0.00 C ATOM 598 C PRO A 38 -13.418 9.856 -7.915 1.00 0.00 C ATOM 599 O PRO A 38 -13.479 9.124 -8.898 1.00 0.00 O ATOM 600 CB PRO A 38 -11.991 9.135 -6.016 1.00 0.00 C ATOM 601 CG PRO A 38 -12.252 10.036 -4.811 1.00 0.00 C ATOM 602 CD PRO A 38 -11.714 11.390 -5.275 1.00 0.00 C ATOM 0 HA PRO A 38 -11.339 9.833 -7.986 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -12.723 8.329 -6.071 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -11.008 8.669 -5.954 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -13.313 10.085 -4.565 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -11.735 9.679 -3.920 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -12.260 12.210 -4.808 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -10.665 11.509 -5.002 1.00 0.00 H new ATOM 610 N ASP A 39 -14.467 10.531 -7.454 1.00 0.00 N ATOM 611 CA ASP A 39 -15.782 10.359 -8.073 1.00 0.00 C ATOM 612 C ASP A 39 -15.818 11.006 -9.453 1.00 0.00 C ATOM 613 O ASP A 39 -16.615 10.640 -10.315 1.00 0.00 O ATOM 614 CB ASP A 39 -16.864 10.940 -7.158 1.00 0.00 C ATOM 615 CG ASP A 39 -18.272 10.742 -7.747 1.00 0.00 C ATOM 616 OD1 ASP A 39 -18.598 9.599 -8.152 1.00 0.00 O ATOM 617 OD2 ASP A 39 -19.062 11.712 -7.768 1.00 0.00 O ATOM 0 H ASP A 39 -14.438 11.187 -6.674 1.00 0.00 H new ATOM 0 HA ASP A 39 -15.977 9.295 -8.206 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -16.808 10.463 -6.180 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -16.679 12.003 -7.005 1.00 0.00 H new ATOM 622 N GLN A 40 -14.883 11.926 -9.690 1.00 0.00 N ATOM 623 CA GLN A 40 -14.758 12.675 -10.935 1.00 0.00 C ATOM 624 C GLN A 40 -13.739 12.031 -11.875 1.00 0.00 C ATOM 625 O GLN A 40 -13.556 12.503 -12.988 1.00 0.00 O ATOM 626 CB GLN A 40 -14.377 14.109 -10.531 1.00 0.00 C ATOM 627 CG GLN A 40 -14.413 15.120 -11.684 1.00 0.00 C ATOM 628 CD GLN A 40 -14.521 16.556 -11.178 1.00 0.00 C ATOM 629 OE1 GLN A 40 -13.553 17.313 -11.188 1.00 0.00 O ATOM 630 NE2 GLN A 40 -15.696 16.953 -10.714 1.00 0.00 N ATOM 0 H GLN A 40 -14.174 12.176 -9.001 1.00 0.00 H new ATOM 0 HA GLN A 40 -15.691 12.678 -11.499 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -15.055 14.445 -9.747 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -13.375 14.099 -10.103 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -13.512 15.015 -12.288 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -15.260 14.899 -12.334 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -16.488 16.310 -10.714 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -15.809 17.902 -10.357 1.00 0.00 H new ATOM 639 N GLN A 41 -13.093 10.938 -11.480 1.00 0.00 N ATOM 640 CA GLN A 41 -11.955 10.313 -12.132 1.00 0.00 C ATOM 641 C GLN A 41 -12.338 8.858 -12.403 1.00 0.00 C ATOM 642 O GLN A 41 -12.974 8.247 -11.554 1.00 0.00 O ATOM 643 CB GLN A 41 -10.854 10.455 -11.067 1.00 0.00 C ATOM 644 CG GLN A 41 -9.428 10.065 -11.442 1.00 0.00 C ATOM 645 CD GLN A 41 -8.603 9.788 -10.189 1.00 0.00 C ATOM 646 OE1 GLN A 41 -8.040 8.716 -10.071 1.00 0.00 O ATOM 647 NE2 GLN A 41 -8.541 10.677 -9.208 1.00 0.00 N ATOM 0 H GLN A 41 -13.373 10.434 -10.638 1.00 0.00 H new ATOM 0 HA GLN A 41 -11.640 10.738 -13.085 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -10.839 11.495 -10.741 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -11.146 9.855 -10.205 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -9.442 9.180 -12.078 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -8.966 10.866 -12.019 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -9.012 11.577 -9.304 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -8.022 10.462 -8.357 1.00 0.00 H new ATOM 656 N ARG A 42 -11.946 8.258 -13.530 1.00 0.00 N ATOM 657 CA ARG A 42 -12.132 6.817 -13.761 1.00 0.00 C ATOM 658 C ARG A 42 -10.774 6.164 -13.880 1.00 0.00 C ATOM 659 O ARG A 42 -9.800 6.828 -14.221 1.00 0.00 O ATOM 660 CB ARG A 42 -12.990 6.537 -15.018 1.00 0.00 C ATOM 661 CG ARG A 42 -14.255 5.732 -14.712 1.00 0.00 C ATOM 662 CD ARG A 42 -15.438 6.049 -15.633 1.00 0.00 C ATOM 663 NE ARG A 42 -16.673 5.382 -15.149 1.00 0.00 N ATOM 664 CZ ARG A 42 -17.847 5.285 -15.792 1.00 0.00 C ATOM 665 NH1 ARG A 42 -17.993 5.799 -17.002 1.00 0.00 N ATOM 666 NH2 ARG A 42 -18.881 4.693 -15.211 1.00 0.00 N ATOM 0 H ARG A 42 -11.495 8.748 -14.303 1.00 0.00 H new ATOM 0 HA ARG A 42 -12.674 6.395 -12.915 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -13.271 7.485 -15.477 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -12.389 5.995 -15.748 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -14.024 4.670 -14.788 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -14.551 5.920 -13.680 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -15.594 7.127 -15.675 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -15.214 5.719 -16.647 1.00 0.00 H new ATOM 0 HE ARG A 42 -16.624 4.950 -14.226 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -17.210 6.273 -17.453 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -18.888 5.721 -17.484 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -18.787 4.309 -14.271 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -19.771 4.622 -15.704 1.00 0.00 H new ATOM 680 N LEU A 43 -10.748 4.856 -13.656 1.00 0.00 N ATOM 681 CA LEU A 43 -9.541 4.062 -13.740 1.00 0.00 C ATOM 682 C LEU A 43 -9.827 2.935 -14.700 1.00 0.00 C ATOM 683 O LEU A 43 -10.856 2.278 -14.603 1.00 0.00 O ATOM 684 CB LEU A 43 -9.158 3.560 -12.334 1.00 0.00 C ATOM 685 CG LEU A 43 -7.678 3.785 -12.023 1.00 0.00 C ATOM 686 CD1 LEU A 43 -7.291 5.272 -12.085 1.00 0.00 C ATOM 687 CD2 LEU A 43 -7.395 3.282 -10.608 1.00 0.00 C ATOM 0 H LEU A 43 -11.577 4.316 -13.408 1.00 0.00 H new ATOM 0 HA LEU A 43 -8.691 4.637 -14.106 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -9.766 4.073 -11.589 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -9.387 2.497 -12.255 1.00 0.00 H new ATOM 0 HG LEU A 43 -7.096 3.247 -12.771 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -6.231 5.382 -11.857 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -7.489 5.658 -13.085 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -7.878 5.832 -11.357 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -6.342 3.436 -10.371 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -8.011 3.832 -9.896 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -7.630 2.219 -10.546 1.00 0.00 H new ATOM 699 N ILE A 44 -8.932 2.751 -15.650 1.00 0.00 N ATOM 700 CA ILE A 44 -8.984 1.721 -16.684 1.00 0.00 C ATOM 701 C ILE A 44 -7.694 0.922 -16.556 1.00 0.00 C ATOM 702 O ILE A 44 -6.671 1.450 -16.129 1.00 0.00 O ATOM 703 CB ILE A 44 -9.231 2.400 -18.069 1.00 0.00 C ATOM 704 CG1 ILE A 44 -10.553 3.197 -17.925 1.00 0.00 C ATOM 705 CG2 ILE A 44 -9.257 1.416 -19.262 1.00 0.00 C ATOM 706 CD1 ILE A 44 -11.146 3.848 -19.164 1.00 0.00 C ATOM 0 H ILE A 44 -8.105 3.342 -15.731 1.00 0.00 H new ATOM 0 HA ILE A 44 -9.811 1.019 -16.576 1.00 0.00 H new ATOM 0 HB ILE A 44 -8.395 3.055 -18.314 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -11.304 2.522 -17.514 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -10.389 3.980 -17.185 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -9.433 1.968 -20.185 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -8.301 0.897 -19.327 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -10.055 0.688 -19.116 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -12.067 4.366 -18.897 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -10.434 4.563 -19.576 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -11.363 3.082 -19.909 1.00 0.00 H new ATOM 718 N PHE A 45 -7.732 -0.342 -16.947 1.00 0.00 N ATOM 719 CA PHE A 45 -6.567 -1.204 -17.007 1.00 0.00 C ATOM 720 C PHE A 45 -6.768 -2.091 -18.214 1.00 0.00 C ATOM 721 O PHE A 45 -7.760 -2.799 -18.266 1.00 0.00 O ATOM 722 CB PHE A 45 -6.475 -2.046 -15.731 1.00 0.00 C ATOM 723 CG PHE A 45 -5.415 -3.123 -15.777 1.00 0.00 C ATOM 724 CD1 PHE A 45 -4.077 -2.774 -16.018 1.00 0.00 C ATOM 725 CD2 PHE A 45 -5.766 -4.476 -15.605 1.00 0.00 C ATOM 726 CE1 PHE A 45 -3.082 -3.767 -16.041 1.00 0.00 C ATOM 727 CE2 PHE A 45 -4.771 -5.467 -15.597 1.00 0.00 C ATOM 728 CZ PHE A 45 -3.428 -5.106 -15.795 1.00 0.00 C ATOM 0 H PHE A 45 -8.593 -0.805 -17.237 1.00 0.00 H new ATOM 0 HA PHE A 45 -5.643 -0.632 -17.087 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -6.271 -1.387 -14.887 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -7.443 -2.512 -15.545 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -3.811 -1.741 -16.186 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -6.803 -4.752 -15.479 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -2.056 -3.501 -16.247 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -5.037 -6.502 -15.439 1.00 0.00 H new ATOM 0 HZ PHE A 45 -2.657 -5.862 -15.758 1.00 0.00 H new ATOM 738 N ALA A 46 -5.868 -2.032 -19.191 1.00 0.00 N ATOM 739 CA ALA A 46 -5.844 -2.948 -20.336 1.00 0.00 C ATOM 740 C ALA A 46 -7.179 -3.097 -21.088 1.00 0.00 C ATOM 741 O ALA A 46 -7.519 -4.166 -21.600 1.00 0.00 O ATOM 742 CB ALA A 46 -5.315 -4.294 -19.840 1.00 0.00 C ATOM 0 H ALA A 46 -5.122 -1.337 -19.213 1.00 0.00 H new ATOM 0 HA ALA A 46 -5.186 -2.517 -21.091 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -5.284 -5.001 -20.669 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -4.311 -4.164 -19.437 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -5.972 -4.678 -19.060 1.00 0.00 H new ATOM 748 N GLY A 47 -7.947 -2.009 -21.130 1.00 0.00 N ATOM 749 CA GLY A 47 -9.238 -1.934 -21.812 1.00 0.00 C ATOM 750 C GLY A 47 -10.431 -2.204 -20.891 1.00 0.00 C ATOM 751 O GLY A 47 -11.572 -2.158 -21.344 1.00 0.00 O ATOM 0 H GLY A 47 -7.682 -1.133 -20.679 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -9.349 -0.945 -22.256 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -9.250 -2.654 -22.630 1.00 0.00 H new ATOM 755 N LYS A 48 -10.192 -2.463 -19.602 1.00 0.00 N ATOM 756 CA LYS A 48 -11.178 -2.849 -18.604 1.00 0.00 C ATOM 757 C LYS A 48 -11.285 -1.690 -17.631 1.00 0.00 C ATOM 758 O LYS A 48 -10.302 -1.315 -17.016 1.00 0.00 O ATOM 759 CB LYS A 48 -10.644 -4.134 -17.934 1.00 0.00 C ATOM 760 CG LYS A 48 -11.612 -4.805 -16.960 1.00 0.00 C ATOM 761 CD LYS A 48 -12.825 -5.490 -17.612 1.00 0.00 C ATOM 762 CE LYS A 48 -12.411 -6.664 -18.515 1.00 0.00 C ATOM 763 NZ LYS A 48 -13.584 -7.389 -19.076 1.00 0.00 N ATOM 0 H LYS A 48 -9.252 -2.404 -19.211 1.00 0.00 H new ATOM 0 HA LYS A 48 -12.169 -3.054 -19.009 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -10.382 -4.850 -18.713 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -9.725 -3.892 -17.401 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -11.063 -5.548 -16.381 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -11.973 -4.055 -16.256 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -13.498 -5.851 -16.834 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -13.380 -4.759 -18.200 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -11.793 -6.290 -19.332 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -11.797 -7.360 -17.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -13.254 -8.171 -19.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -14.161 -7.770 -18.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -14.158 -6.734 -19.644 1.00 0.00 H new ATOM 777 N GLN A 49 -12.437 -1.057 -17.516 1.00 0.00 N ATOM 778 CA GLN A 49 -12.703 -0.070 -16.478 1.00 0.00 C ATOM 779 C GLN A 49 -12.734 -0.793 -15.127 1.00 0.00 C ATOM 780 O GLN A 49 -13.210 -1.924 -15.036 1.00 0.00 O ATOM 781 CB GLN A 49 -14.053 0.572 -16.803 1.00 0.00 C ATOM 782 CG GLN A 49 -14.440 1.742 -15.895 1.00 0.00 C ATOM 783 CD GLN A 49 -15.762 2.350 -16.361 1.00 0.00 C ATOM 784 OE1 GLN A 49 -15.771 3.265 -17.170 1.00 0.00 O ATOM 785 NE2 GLN A 49 -16.893 1.855 -15.881 1.00 0.00 N ATOM 0 H GLN A 49 -13.225 -1.213 -18.145 1.00 0.00 H new ATOM 0 HA GLN A 49 -11.938 0.705 -16.432 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -14.035 0.922 -17.835 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -14.828 -0.192 -16.739 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -14.531 1.399 -14.865 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -13.656 2.500 -15.910 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -16.869 1.091 -15.206 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -17.788 2.238 -16.187 1.00 0.00 H new ATOM 794 N LEU A 50 -12.265 -0.107 -14.086 1.00 0.00 N ATOM 795 CA LEU A 50 -12.264 -0.598 -12.708 1.00 0.00 C ATOM 796 C LEU A 50 -13.277 0.219 -11.911 1.00 0.00 C ATOM 797 O LEU A 50 -13.608 1.335 -12.312 1.00 0.00 O ATOM 798 CB LEU A 50 -10.843 -0.510 -12.100 1.00 0.00 C ATOM 799 CG LEU A 50 -9.645 -0.727 -13.048 1.00 0.00 C ATOM 800 CD1 LEU A 50 -8.318 -0.628 -12.288 1.00 0.00 C ATOM 801 CD2 LEU A 50 -9.687 -2.054 -13.806 1.00 0.00 C ATOM 0 H LEU A 50 -11.866 0.827 -14.179 1.00 0.00 H new ATOM 0 HA LEU A 50 -12.551 -1.649 -12.677 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -10.734 0.473 -11.641 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -10.775 -1.245 -11.298 1.00 0.00 H new ATOM 0 HG LEU A 50 -9.720 0.070 -13.787 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -7.490 -0.785 -12.979 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -8.231 0.360 -11.835 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -8.288 -1.388 -11.508 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -8.812 -2.132 -14.451 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -9.688 -2.880 -13.094 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -10.591 -2.097 -14.414 1.00 0.00 H new ATOM 813 N GLU A 51 -13.738 -0.288 -10.762 1.00 0.00 N ATOM 814 CA GLU A 51 -14.647 0.449 -9.886 1.00 0.00 C ATOM 815 C GLU A 51 -14.007 0.618 -8.519 1.00 0.00 C ATOM 816 O GLU A 51 -13.144 -0.161 -8.130 1.00 0.00 O ATOM 817 CB GLU A 51 -16.070 -0.137 -9.882 1.00 0.00 C ATOM 818 CG GLU A 51 -16.289 -1.306 -8.916 1.00 0.00 C ATOM 819 CD GLU A 51 -17.679 -1.942 -9.088 1.00 0.00 C ATOM 820 OE1 GLU A 51 -18.694 -1.321 -8.682 1.00 0.00 O ATOM 821 OE2 GLU A 51 -17.757 -3.085 -9.600 1.00 0.00 O ATOM 0 H GLU A 51 -13.491 -1.216 -10.417 1.00 0.00 H new ATOM 0 HA GLU A 51 -14.801 1.454 -10.280 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -16.773 0.658 -9.631 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -16.312 -0.470 -10.891 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -15.521 -2.062 -9.081 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -16.175 -0.955 -7.890 1.00 0.00 H new ATOM 828 N ASP A 52 -14.433 1.653 -7.800 1.00 0.00 N ATOM 829 CA ASP A 52 -13.818 2.155 -6.571 1.00 0.00 C ATOM 830 C ASP A 52 -13.669 1.075 -5.509 1.00 0.00 C ATOM 831 O ASP A 52 -12.645 1.007 -4.830 1.00 0.00 O ATOM 832 CB ASP A 52 -14.639 3.347 -6.049 1.00 0.00 C ATOM 833 CG ASP A 52 -14.308 4.622 -6.829 1.00 0.00 C ATOM 834 OD1 ASP A 52 -13.149 5.082 -6.770 1.00 0.00 O ATOM 835 OD2 ASP A 52 -15.169 5.136 -7.580 1.00 0.00 O ATOM 0 H ASP A 52 -15.256 2.192 -8.070 1.00 0.00 H new ATOM 0 HA ASP A 52 -12.805 2.484 -6.804 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -15.703 3.128 -6.138 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -14.432 3.500 -4.990 1.00 0.00 H new ATOM 840 N GLY A 53 -14.670 0.199 -5.408 1.00 0.00 N ATOM 841 CA GLY A 53 -14.738 -0.839 -4.390 1.00 0.00 C ATOM 842 C GLY A 53 -13.833 -2.044 -4.659 1.00 0.00 C ATOM 843 O GLY A 53 -13.772 -2.951 -3.826 1.00 0.00 O ATOM 0 H GLY A 53 -15.467 0.195 -6.044 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -14.469 -0.405 -3.427 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -15.769 -1.184 -4.308 1.00 0.00 H new ATOM 847 N ARG A 54 -13.151 -2.101 -5.809 1.00 0.00 N ATOM 848 CA ARG A 54 -12.329 -3.239 -6.218 1.00 0.00 C ATOM 849 C ARG A 54 -10.877 -2.930 -5.932 1.00 0.00 C ATOM 850 O ARG A 54 -10.563 -1.834 -5.480 1.00 0.00 O ATOM 851 CB ARG A 54 -12.627 -3.530 -7.689 1.00 0.00 C ATOM 852 CG ARG A 54 -14.018 -4.173 -7.813 1.00 0.00 C ATOM 853 CD ARG A 54 -14.373 -4.513 -9.258 1.00 0.00 C ATOM 854 NE ARG A 54 -15.746 -5.029 -9.375 1.00 0.00 N ATOM 855 CZ ARG A 54 -16.134 -6.304 -9.329 1.00 0.00 C ATOM 856 NH1 ARG A 54 -15.260 -7.288 -9.140 1.00 0.00 N ATOM 857 NH2 ARG A 54 -17.429 -6.582 -9.473 1.00 0.00 N ATOM 0 H ARG A 54 -13.157 -1.343 -6.491 1.00 0.00 H new ATOM 0 HA ARG A 54 -12.561 -4.143 -5.655 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -12.588 -2.608 -8.268 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -11.869 -4.197 -8.100 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -14.051 -5.080 -7.210 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -14.767 -3.493 -7.408 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -14.265 -3.623 -9.878 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -13.672 -5.255 -9.640 1.00 0.00 H new ATOM 0 HE ARG A 54 -16.482 -4.335 -9.506 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -14.269 -7.075 -9.026 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -15.581 -8.256 -9.108 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -18.100 -5.827 -9.615 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -17.749 -7.550 -9.441 1.00 0.00 H new ATOM 871 N THR A 55 -9.968 -3.858 -6.195 1.00 0.00 N ATOM 872 CA THR A 55 -8.561 -3.698 -5.872 1.00 0.00 C ATOM 873 C THR A 55 -7.719 -4.043 -7.075 1.00 0.00 C ATOM 874 O THR A 55 -8.199 -4.607 -8.055 1.00 0.00 O ATOM 875 CB THR A 55 -8.185 -4.608 -4.703 1.00 0.00 C ATOM 876 OG1 THR A 55 -8.497 -5.948 -5.032 1.00 0.00 O ATOM 877 CG2 THR A 55 -8.850 -4.236 -3.388 1.00 0.00 C ATOM 0 H THR A 55 -10.189 -4.748 -6.641 1.00 0.00 H new ATOM 0 HA THR A 55 -8.378 -2.661 -5.589 1.00 0.00 H new ATOM 0 HB THR A 55 -7.114 -4.481 -4.546 1.00 0.00 H new ATOM 0 HG1 THR A 55 -8.255 -6.533 -4.284 1.00 0.00 H new ATOM 0 HG21 THR A 55 -8.531 -4.930 -2.610 1.00 0.00 H new ATOM 0 HG22 THR A 55 -8.564 -3.222 -3.110 1.00 0.00 H new ATOM 0 HG23 THR A 55 -9.933 -4.289 -3.500 1.00 0.00 H new ATOM 885 N LEU A 56 -6.433 -3.729 -6.984 1.00 0.00 N ATOM 886 CA LEU A 56 -5.494 -4.058 -8.048 1.00 0.00 C ATOM 887 C LEU A 56 -5.453 -5.575 -8.280 1.00 0.00 C ATOM 888 O LEU A 56 -5.569 -6.033 -9.417 1.00 0.00 O ATOM 889 CB LEU A 56 -4.115 -3.446 -7.723 1.00 0.00 C ATOM 890 CG LEU A 56 -4.168 -1.940 -7.408 1.00 0.00 C ATOM 891 CD1 LEU A 56 -2.760 -1.386 -7.243 1.00 0.00 C ATOM 892 CD2 LEU A 56 -4.861 -1.151 -8.529 1.00 0.00 C ATOM 0 H LEU A 56 -6.017 -3.248 -6.186 1.00 0.00 H new ATOM 0 HA LEU A 56 -5.823 -3.621 -8.991 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -3.685 -3.972 -6.871 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -3.446 -3.609 -8.568 1.00 0.00 H new ATOM 0 HG LEU A 56 -4.736 -1.828 -6.485 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -2.812 -0.320 -7.021 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -2.259 -1.903 -6.425 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -2.199 -1.537 -8.165 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -4.879 -0.092 -8.271 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -4.314 -1.288 -9.462 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -5.882 -1.513 -8.651 1.00 0.00 H new ATOM 904 N SER A 57 -5.408 -6.353 -7.203 1.00 0.00 N ATOM 905 CA SER A 57 -5.497 -7.804 -7.225 1.00 0.00 C ATOM 906 C SER A 57 -6.821 -8.294 -7.807 1.00 0.00 C ATOM 907 O SER A 57 -6.823 -9.354 -8.431 1.00 0.00 O ATOM 908 CB SER A 57 -5.341 -8.353 -5.805 1.00 0.00 C ATOM 909 OG SER A 57 -3.975 -8.456 -5.465 1.00 0.00 O ATOM 0 H SER A 57 -5.305 -5.975 -6.261 1.00 0.00 H new ATOM 0 HA SER A 57 -4.694 -8.167 -7.866 1.00 0.00 H new ATOM 0 HB2 SER A 57 -5.850 -7.699 -5.097 1.00 0.00 H new ATOM 0 HB3 SER A 57 -5.815 -9.332 -5.732 1.00 0.00 H new ATOM 0 HG SER A 57 -3.890 -8.807 -4.554 1.00 0.00 H new ATOM 915 N ASP A 58 -7.931 -7.553 -7.671 1.00 0.00 N ATOM 916 CA ASP A 58 -9.198 -7.988 -8.250 1.00 0.00 C ATOM 917 C ASP A 58 -9.144 -7.947 -9.784 1.00 0.00 C ATOM 918 O ASP A 58 -9.920 -8.620 -10.465 1.00 0.00 O ATOM 919 CB ASP A 58 -10.341 -7.133 -7.718 1.00 0.00 C ATOM 920 CG ASP A 58 -11.692 -7.788 -8.050 1.00 0.00 C ATOM 921 OD1 ASP A 58 -11.951 -8.920 -7.580 1.00 0.00 O ATOM 922 OD2 ASP A 58 -12.526 -7.144 -8.725 1.00 0.00 O ATOM 0 H ASP A 58 -7.972 -6.664 -7.172 1.00 0.00 H new ATOM 0 HA ASP A 58 -9.377 -9.022 -7.955 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -10.243 -7.012 -6.639 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -10.294 -6.136 -8.157 1.00 0.00 H new ATOM 927 N TYR A 59 -8.153 -7.223 -10.318 1.00 0.00 N ATOM 928 CA TYR A 59 -7.826 -7.108 -11.731 1.00 0.00 C ATOM 929 C TYR A 59 -6.475 -7.766 -12.067 1.00 0.00 C ATOM 930 O TYR A 59 -5.992 -7.643 -13.191 1.00 0.00 O ATOM 931 CB TYR A 59 -7.917 -5.629 -12.120 1.00 0.00 C ATOM 932 CG TYR A 59 -9.344 -5.127 -12.089 1.00 0.00 C ATOM 933 CD1 TYR A 59 -10.206 -5.468 -13.149 1.00 0.00 C ATOM 934 CD2 TYR A 59 -9.825 -4.366 -11.001 1.00 0.00 C ATOM 935 CE1 TYR A 59 -11.546 -5.051 -13.131 1.00 0.00 C ATOM 936 CE2 TYR A 59 -11.172 -3.974 -10.966 1.00 0.00 C ATOM 937 CZ TYR A 59 -12.036 -4.303 -12.039 1.00 0.00 C ATOM 938 OH TYR A 59 -13.328 -3.873 -12.038 1.00 0.00 O ATOM 0 H TYR A 59 -7.524 -6.671 -9.734 1.00 0.00 H new ATOM 0 HA TYR A 59 -8.544 -7.663 -12.335 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -7.308 -5.036 -11.438 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -7.504 -5.490 -13.119 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -9.835 -6.052 -13.978 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -9.158 -4.087 -10.199 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -12.201 -5.302 -13.952 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -11.551 -3.420 -10.119 1.00 0.00 H new ATOM 0 HH TYR A 59 -13.928 -4.640 -11.927 1.00 0.00 H new ATOM 948 N ASN A 60 -5.894 -8.514 -11.119 1.00 0.00 N ATOM 949 CA ASN A 60 -4.640 -9.272 -11.233 1.00 0.00 C ATOM 950 C ASN A 60 -3.434 -8.396 -11.597 1.00 0.00 C ATOM 951 O ASN A 60 -2.408 -8.890 -12.070 1.00 0.00 O ATOM 952 CB ASN A 60 -4.797 -10.510 -12.141 1.00 0.00 C ATOM 953 CG ASN A 60 -5.742 -11.538 -11.532 1.00 0.00 C ATOM 954 OD1 ASN A 60 -5.386 -12.228 -10.580 1.00 0.00 O ATOM 955 ND2 ASN A 60 -6.957 -11.664 -12.050 1.00 0.00 N ATOM 0 H ASN A 60 -6.313 -8.612 -10.194 1.00 0.00 H new ATOM 0 HA ASN A 60 -4.415 -9.651 -10.236 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -5.174 -10.201 -13.116 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -3.821 -10.966 -12.307 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -7.611 -12.341 -11.658 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -7.237 -11.083 -12.840 1.00 0.00 H new ATOM 962 N ILE A 61 -3.543 -7.088 -11.362 1.00 0.00 N ATOM 963 CA ILE A 61 -2.453 -6.129 -11.440 1.00 0.00 C ATOM 964 C ILE A 61 -1.457 -6.490 -10.328 1.00 0.00 C ATOM 965 O ILE A 61 -1.858 -6.917 -9.240 1.00 0.00 O ATOM 966 CB ILE A 61 -3.059 -4.728 -11.244 1.00 0.00 C ATOM 967 CG1 ILE A 61 -4.002 -4.347 -12.401 1.00 0.00 C ATOM 968 CG2 ILE A 61 -2.006 -3.618 -11.064 1.00 0.00 C ATOM 969 CD1 ILE A 61 -5.057 -3.340 -11.956 1.00 0.00 C ATOM 0 H ILE A 61 -4.430 -6.656 -11.102 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.930 -6.146 -12.396 1.00 0.00 H new ATOM 0 HB ILE A 61 -3.626 -4.798 -10.316 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -3.421 -3.927 -13.222 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -4.491 -5.243 -12.783 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -2.507 -2.659 -10.931 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -1.397 -3.833 -10.186 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.368 -3.575 -11.947 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -5.704 -3.095 -12.798 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -5.655 -3.770 -11.153 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -4.567 -2.434 -11.599 1.00 0.00 H new ATOM 981 N GLN A 62 -0.169 -6.264 -10.587 1.00 0.00 N ATOM 982 CA GLN A 62 0.919 -6.487 -9.644 1.00 0.00 C ATOM 983 C GLN A 62 1.757 -5.206 -9.565 1.00 0.00 C ATOM 984 O GLN A 62 1.350 -4.156 -10.062 1.00 0.00 O ATOM 985 CB GLN A 62 1.747 -7.711 -10.100 1.00 0.00 C ATOM 986 CG GLN A 62 0.900 -8.974 -10.312 1.00 0.00 C ATOM 987 CD GLN A 62 1.766 -10.187 -10.662 1.00 0.00 C ATOM 988 OE1 GLN A 62 2.579 -10.645 -9.860 1.00 0.00 O ATOM 989 NE2 GLN A 62 1.620 -10.735 -11.860 1.00 0.00 N ATOM 0 H GLN A 62 0.152 -5.910 -11.488 1.00 0.00 H new ATOM 0 HA GLN A 62 0.543 -6.708 -8.645 1.00 0.00 H new ATOM 0 HB2 GLN A 62 2.261 -7.467 -11.030 1.00 0.00 H new ATOM 0 HB3 GLN A 62 2.516 -7.918 -9.356 1.00 0.00 H new ATOM 0 HG2 GLN A 62 0.328 -9.184 -9.408 1.00 0.00 H new ATOM 0 HG3 GLN A 62 0.180 -8.799 -11.111 1.00 0.00 H new ATOM 0 HE21 GLN A 62 0.944 -10.349 -12.519 1.00 0.00 H new ATOM 0 HE22 GLN A 62 2.184 -11.543 -12.123 1.00 0.00 H new ATOM 998 N LYS A 63 2.922 -5.263 -8.922 1.00 0.00 N ATOM 999 CA LYS A 63 3.911 -4.197 -8.944 1.00 0.00 C ATOM 1000 C LYS A 63 4.363 -3.902 -10.363 1.00 0.00 C ATOM 1001 O LYS A 63 4.192 -4.721 -11.268 1.00 0.00 O ATOM 1002 CB LYS A 63 5.107 -4.610 -8.069 1.00 0.00 C ATOM 1003 CG LYS A 63 6.018 -5.666 -8.694 1.00 0.00 C ATOM 1004 CD LYS A 63 7.000 -6.209 -7.643 1.00 0.00 C ATOM 1005 CE LYS A 63 8.082 -7.056 -8.323 1.00 0.00 C ATOM 1006 NZ LYS A 63 9.024 -7.667 -7.345 1.00 0.00 N ATOM 0 H LYS A 63 3.206 -6.067 -8.363 1.00 0.00 H new ATOM 0 HA LYS A 63 3.465 -3.285 -8.548 1.00 0.00 H new ATOM 0 HB2 LYS A 63 5.700 -3.723 -7.846 1.00 0.00 H new ATOM 0 HB3 LYS A 63 4.731 -4.990 -7.119 1.00 0.00 H new ATOM 0 HG2 LYS A 63 5.418 -6.482 -9.097 1.00 0.00 H new ATOM 0 HG3 LYS A 63 6.570 -5.233 -9.528 1.00 0.00 H new ATOM 0 HD2 LYS A 63 7.460 -5.382 -7.102 1.00 0.00 H new ATOM 0 HD3 LYS A 63 6.464 -6.811 -6.909 1.00 0.00 H new ATOM 0 HE2 LYS A 63 7.608 -7.844 -8.908 1.00 0.00 H new ATOM 0 HE3 LYS A 63 8.641 -6.433 -9.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 9.736 -8.229 -7.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 9.498 -6.916 -6.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 8.497 -8.283 -6.694 1.00 0.00 H new ATOM 1020 N GLU A 64 4.997 -2.741 -10.495 1.00 0.00 N ATOM 1021 CA GLU A 64 5.570 -2.186 -11.707 1.00 0.00 C ATOM 1022 C GLU A 64 4.651 -2.462 -12.908 1.00 0.00 C ATOM 1023 O GLU A 64 5.071 -2.929 -13.970 1.00 0.00 O ATOM 1024 CB GLU A 64 7.068 -2.547 -11.835 1.00 0.00 C ATOM 1025 CG GLU A 64 7.430 -3.968 -12.263 1.00 0.00 C ATOM 1026 CD GLU A 64 8.928 -4.254 -12.031 1.00 0.00 C ATOM 1027 OE1 GLU A 64 9.762 -3.913 -12.908 1.00 0.00 O ATOM 1028 OE2 GLU A 64 9.284 -4.834 -10.978 1.00 0.00 O ATOM 0 H GLU A 64 5.131 -2.121 -9.696 1.00 0.00 H new ATOM 0 HA GLU A 64 5.603 -1.097 -11.668 1.00 0.00 H new ATOM 0 HB2 GLU A 64 7.517 -1.858 -12.550 1.00 0.00 H new ATOM 0 HB3 GLU A 64 7.540 -2.358 -10.871 1.00 0.00 H new ATOM 0 HG2 GLU A 64 6.829 -4.684 -11.703 1.00 0.00 H new ATOM 0 HG3 GLU A 64 7.189 -4.106 -13.317 1.00 0.00 H new ATOM 1035 N SER A 65 3.361 -2.191 -12.698 1.00 0.00 N ATOM 1036 CA SER A 65 2.318 -2.473 -13.682 1.00 0.00 C ATOM 1037 C SER A 65 1.626 -1.172 -14.028 1.00 0.00 C ATOM 1038 O SER A 65 1.568 -0.260 -13.203 1.00 0.00 O ATOM 1039 CB SER A 65 1.334 -3.520 -13.150 1.00 0.00 C ATOM 1040 OG SER A 65 1.959 -4.780 -12.965 1.00 0.00 O ATOM 0 H SER A 65 3.011 -1.769 -11.838 1.00 0.00 H new ATOM 0 HA SER A 65 2.758 -2.894 -14.586 1.00 0.00 H new ATOM 0 HB2 SER A 65 0.916 -3.179 -12.203 1.00 0.00 H new ATOM 0 HB3 SER A 65 0.502 -3.625 -13.847 1.00 0.00 H new ATOM 0 HG SER A 65 2.737 -4.676 -12.378 1.00 0.00 H new ATOM 1046 N THR A 66 1.097 -1.085 -15.239 1.00 0.00 N ATOM 1047 CA THR A 66 0.594 0.161 -15.798 1.00 0.00 C ATOM 1048 C THR A 66 -0.929 0.157 -15.748 1.00 0.00 C ATOM 1049 O THR A 66 -1.569 -0.875 -15.914 1.00 0.00 O ATOM 1050 CB THR A 66 1.133 0.348 -17.235 1.00 0.00 C ATOM 1051 OG1 THR A 66 2.537 0.133 -17.240 1.00 0.00 O ATOM 1052 CG2 THR A 66 0.851 1.734 -17.842 1.00 0.00 C ATOM 0 H THR A 66 1.004 -1.884 -15.867 1.00 0.00 H new ATOM 0 HA THR A 66 0.945 1.009 -15.209 1.00 0.00 H new ATOM 0 HB THR A 66 0.604 -0.380 -17.851 1.00 0.00 H new ATOM 0 HG1 THR A 66 2.882 0.249 -18.150 1.00 0.00 H new ATOM 0 HG21 THR A 66 1.262 1.780 -18.850 1.00 0.00 H new ATOM 0 HG22 THR A 66 -0.225 1.902 -17.881 1.00 0.00 H new ATOM 0 HG23 THR A 66 1.316 2.503 -17.225 1.00 0.00 H new ATOM 1060 N LEU A 67 -1.495 1.338 -15.538 1.00 0.00 N ATOM 1061 CA LEU A 67 -2.912 1.640 -15.440 1.00 0.00 C ATOM 1062 C LEU A 67 -3.233 2.831 -16.333 1.00 0.00 C ATOM 1063 O LEU A 67 -2.320 3.489 -16.815 1.00 0.00 O ATOM 1064 CB LEU A 67 -3.182 2.003 -13.969 1.00 0.00 C ATOM 1065 CG LEU A 67 -4.346 1.252 -13.348 1.00 0.00 C ATOM 1066 CD1 LEU A 67 -4.012 -0.227 -13.207 1.00 0.00 C ATOM 1067 CD2 LEU A 67 -4.612 1.829 -11.962 1.00 0.00 C ATOM 0 H LEU A 67 -0.926 2.176 -15.423 1.00 0.00 H new ATOM 0 HA LEU A 67 -3.526 0.796 -15.755 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.283 1.804 -13.386 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -3.376 3.073 -13.900 1.00 0.00 H new ATOM 0 HG LEU A 67 -5.222 1.358 -13.988 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -4.858 -0.750 -12.760 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.803 -0.648 -14.190 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -3.136 -0.343 -12.569 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -5.446 1.300 -11.502 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -3.723 1.713 -11.343 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -4.857 2.887 -12.049 1.00 0.00 H new ATOM 1079 N HIS A 68 -4.513 3.176 -16.466 1.00 0.00 N ATOM 1080 CA HIS A 68 -4.961 4.295 -17.298 1.00 0.00 C ATOM 1081 C HIS A 68 -5.854 5.220 -16.463 1.00 0.00 C ATOM 1082 O HIS A 68 -6.747 4.721 -15.779 1.00 0.00 O ATOM 1083 CB HIS A 68 -5.712 3.739 -18.518 1.00 0.00 C ATOM 1084 CG HIS A 68 -4.853 3.510 -19.733 1.00 0.00 C ATOM 1085 ND1 HIS A 68 -4.248 2.340 -20.137 1.00 0.00 N ATOM 1086 CD2 HIS A 68 -4.634 4.430 -20.715 1.00 0.00 C ATOM 1087 CE1 HIS A 68 -3.676 2.558 -21.336 1.00 0.00 C ATOM 1088 NE2 HIS A 68 -3.874 3.828 -21.724 1.00 0.00 N ATOM 0 H HIS A 68 -5.274 2.685 -15.997 1.00 0.00 H new ATOM 0 HA HIS A 68 -4.110 4.876 -17.653 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -6.183 2.796 -18.239 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -6.513 4.430 -18.781 1.00 0.00 H new ATOM 0 HD1 HIS A 68 -4.236 1.462 -19.618 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -4.987 5.451 -20.714 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -3.135 1.817 -21.905 1.00 0.00 H new ATOM 1095 N LEU A 69 -5.659 6.548 -16.515 1.00 0.00 N ATOM 1096 CA LEU A 69 -6.489 7.522 -15.811 1.00 0.00 C ATOM 1097 C LEU A 69 -7.362 8.202 -16.840 1.00 0.00 C ATOM 1098 O LEU A 69 -6.821 8.606 -17.865 1.00 0.00 O ATOM 1099 CB LEU A 69 -5.567 8.616 -15.227 1.00 0.00 C ATOM 1100 CG LEU A 69 -6.031 9.483 -14.060 1.00 0.00 C ATOM 1101 CD1 LEU A 69 -6.867 10.687 -14.481 1.00 0.00 C ATOM 1102 CD2 LEU A 69 -6.721 8.645 -13.003 1.00 0.00 C ATOM 0 H LEU A 69 -4.908 6.975 -17.057 1.00 0.00 H new ATOM 0 HA LEU A 69 -7.073 7.034 -15.031 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -4.645 8.126 -14.916 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -5.310 9.289 -16.045 1.00 0.00 H new ATOM 0 HG LEU A 69 -5.131 9.910 -13.618 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -7.159 11.254 -13.597 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -6.280 11.324 -15.143 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -7.760 10.345 -15.004 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -7.042 9.287 -12.182 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -7.590 8.152 -13.439 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -6.028 7.893 -12.626 1.00 0.00 H new ATOM 1114 N VAL A 70 -8.643 8.413 -16.559 1.00 0.00 N ATOM 1115 CA VAL A 70 -9.501 9.255 -17.398 1.00 0.00 C ATOM 1116 C VAL A 70 -10.301 10.149 -16.458 1.00 0.00 C ATOM 1117 O VAL A 70 -10.429 9.862 -15.269 1.00 0.00 O ATOM 1118 CB VAL A 70 -10.381 8.397 -18.337 1.00 0.00 C ATOM 1119 CG1 VAL A 70 -9.686 7.159 -18.918 1.00 0.00 C ATOM 1120 CG2 VAL A 70 -11.656 7.836 -17.715 1.00 0.00 C ATOM 0 H VAL A 70 -9.117 8.011 -15.751 1.00 0.00 H new ATOM 0 HA VAL A 70 -8.914 9.881 -18.070 1.00 0.00 H new ATOM 0 HB VAL A 70 -10.605 9.142 -19.101 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -10.381 6.621 -19.563 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -8.817 7.469 -19.499 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -9.366 6.507 -18.106 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -12.197 7.251 -18.459 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -11.398 7.198 -16.869 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -12.285 8.657 -17.372 1.00 0.00 H new ATOM 1130 N LEU A 71 -10.893 11.198 -17.007 1.00 0.00 N ATOM 1131 CA LEU A 71 -11.857 12.021 -16.304 1.00 0.00 C ATOM 1132 C LEU A 71 -13.223 11.392 -16.490 1.00 0.00 C ATOM 1133 O LEU A 71 -13.492 10.897 -17.572 1.00 0.00 O ATOM 1134 CB LEU A 71 -11.889 13.387 -16.989 1.00 0.00 C ATOM 1135 CG LEU A 71 -12.686 14.446 -16.218 1.00 0.00 C ATOM 1136 CD1 LEU A 71 -12.042 14.812 -14.876 1.00 0.00 C ATOM 1137 CD2 LEU A 71 -12.900 15.611 -17.178 1.00 0.00 C ATOM 0 H LEU A 71 -10.714 11.503 -17.964 1.00 0.00 H new ATOM 0 HA LEU A 71 -11.600 12.110 -15.249 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -10.867 13.741 -17.122 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -12.320 13.274 -17.984 1.00 0.00 H new ATOM 0 HG LEU A 71 -13.659 14.066 -15.905 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -12.649 15.566 -14.374 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -11.977 13.923 -14.249 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -11.041 15.209 -15.049 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -13.465 16.397 -16.677 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -11.934 16.004 -17.494 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -13.454 15.266 -18.051 1.00 0.00 H new ATOM 1149 N ARG A 72 -14.129 11.531 -15.527 1.00 0.00 N ATOM 1150 CA ARG A 72 -15.528 11.149 -15.696 1.00 0.00 C ATOM 1151 C ARG A 72 -16.538 12.172 -15.196 1.00 0.00 C ATOM 1152 O ARG A 72 -17.673 11.811 -14.942 1.00 0.00 O ATOM 1153 CB ARG A 72 -15.740 9.713 -15.169 1.00 0.00 C ATOM 1154 CG ARG A 72 -16.061 9.543 -13.661 1.00 0.00 C ATOM 1155 CD ARG A 72 -17.483 8.980 -13.505 1.00 0.00 C ATOM 1156 NE ARG A 72 -17.929 8.872 -12.098 1.00 0.00 N ATOM 1157 CZ ARG A 72 -18.992 8.176 -11.664 1.00 0.00 C ATOM 1158 NH1 ARG A 72 -19.736 7.471 -12.513 1.00 0.00 N ATOM 1159 NH2 ARG A 72 -19.332 8.185 -10.387 1.00 0.00 N ATOM 0 H ARG A 72 -13.914 11.912 -14.606 1.00 0.00 H new ATOM 0 HA ARG A 72 -15.742 11.144 -16.765 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -16.553 9.262 -15.739 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -14.840 9.138 -15.388 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -15.339 8.871 -13.197 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -15.979 10.502 -13.149 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -18.179 9.618 -14.049 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -17.527 7.994 -13.967 1.00 0.00 H new ATOM 0 HE ARG A 72 -17.381 9.370 -11.397 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -19.501 7.455 -13.505 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -20.541 6.946 -12.171 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -18.784 8.725 -9.717 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -20.142 7.652 -10.071 1.00 0.00 H new ATOM 1331 N ILE B 683 -6.049 15.193 -21.391 1.00 0.00 N ATOM 1332 CA ILE B 683 -6.340 14.147 -22.349 1.00 0.00 C ATOM 1333 C ILE B 683 -5.433 14.362 -23.578 1.00 0.00 C ATOM 1334 O ILE B 683 -4.911 15.459 -23.787 1.00 0.00 O ATOM 1335 CB ILE B 683 -7.847 14.147 -22.703 1.00 0.00 C ATOM 1336 CG1 ILE B 683 -8.865 14.653 -21.637 1.00 0.00 C ATOM 1337 CG2 ILE B 683 -8.288 12.752 -23.077 1.00 0.00 C ATOM 1338 CD1 ILE B 683 -9.063 13.830 -20.357 1.00 0.00 C ATOM 0 HA ILE B 683 -6.129 13.162 -21.933 1.00 0.00 H new ATOM 0 HB ILE B 683 -7.881 14.876 -23.512 1.00 0.00 H new ATOM 0 HG12 ILE B 683 -8.561 15.657 -21.341 1.00 0.00 H new ATOM 0 HG13 ILE B 683 -9.836 14.745 -22.124 1.00 0.00 H new ATOM 0 HG21 ILE B 683 -9.349 12.760 -23.325 1.00 0.00 H new ATOM 0 HG22 ILE B 683 -7.717 12.409 -23.939 1.00 0.00 H new ATOM 0 HG23 ILE B 683 -8.117 12.079 -22.237 1.00 0.00 H new ATOM 0 HD11 ILE B 683 -9.803 14.317 -19.722 1.00 0.00 H new ATOM 0 HD12 ILE B 683 -9.411 12.830 -20.617 1.00 0.00 H new ATOM 0 HD13 ILE B 683 -8.117 13.757 -19.821 1.00 0.00 H new ATOM 1350 N ASP B 684 -5.219 13.316 -24.373 1.00 0.00 N ATOM 1351 CA ASP B 684 -4.399 13.274 -25.583 1.00 0.00 C ATOM 1352 C ASP B 684 -4.934 12.111 -26.426 1.00 0.00 C ATOM 1353 O ASP B 684 -5.263 11.063 -25.852 1.00 0.00 O ATOM 1354 CB ASP B 684 -2.917 13.023 -25.252 1.00 0.00 C ATOM 1355 CG ASP B 684 -2.081 12.808 -26.518 1.00 0.00 C ATOM 1356 OD1 ASP B 684 -2.064 11.667 -27.041 1.00 0.00 O ATOM 1357 OD2 ASP B 684 -1.441 13.780 -26.988 1.00 0.00 O ATOM 0 H ASP B 684 -5.644 12.410 -24.175 1.00 0.00 H new ATOM 0 HA ASP B 684 -4.456 14.227 -26.109 1.00 0.00 H new ATOM 0 HB2 ASP B 684 -2.520 13.871 -24.694 1.00 0.00 H new ATOM 0 HB3 ASP B 684 -2.831 12.149 -24.607 1.00 0.00 H new ATOM 1362 N PRO B 685 -5.078 12.265 -27.757 1.00 0.00 N ATOM 1363 CA PRO B 685 -5.763 11.289 -28.589 1.00 0.00 C ATOM 1364 C PRO B 685 -5.134 9.897 -28.534 1.00 0.00 C ATOM 1365 O PRO B 685 -5.876 8.918 -28.510 1.00 0.00 O ATOM 1366 CB PRO B 685 -5.778 11.862 -30.012 1.00 0.00 C ATOM 1367 CG PRO B 685 -4.703 12.944 -30.000 1.00 0.00 C ATOM 1368 CD PRO B 685 -4.733 13.432 -28.553 1.00 0.00 C ATOM 0 HA PRO B 685 -6.776 11.133 -28.218 1.00 0.00 H new ATOM 0 HB2 PRO B 685 -5.558 11.092 -30.752 1.00 0.00 H new ATOM 0 HB3 PRO B 685 -6.755 12.276 -30.263 1.00 0.00 H new ATOM 0 HG2 PRO B 685 -3.725 12.546 -30.273 1.00 0.00 H new ATOM 0 HG3 PRO B 685 -4.928 13.746 -30.703 1.00 0.00 H new ATOM 0 HD2 PRO B 685 -3.766 13.838 -28.256 1.00 0.00 H new ATOM 0 HD3 PRO B 685 -5.467 14.227 -28.422 1.00 0.00 H new ATOM 1376 N GLN B 686 -3.803 9.765 -28.473 1.00 0.00 N ATOM 1377 CA GLN B 686 -3.165 8.448 -28.565 1.00 0.00 C ATOM 1378 C GLN B 686 -3.594 7.567 -27.386 1.00 0.00 C ATOM 1379 O GLN B 686 -4.047 6.439 -27.585 1.00 0.00 O ATOM 1380 CB GLN B 686 -1.634 8.573 -28.633 1.00 0.00 C ATOM 1381 CG GLN B 686 -1.153 9.308 -29.894 1.00 0.00 C ATOM 1382 CD GLN B 686 0.374 9.302 -29.991 1.00 0.00 C ATOM 1383 OE1 GLN B 686 1.050 10.253 -29.599 1.00 0.00 O ATOM 1384 NE2 GLN B 686 0.965 8.230 -30.504 1.00 0.00 N ATOM 0 H GLN B 686 -3.155 10.544 -28.362 1.00 0.00 H new ATOM 0 HA GLN B 686 -3.494 7.973 -29.489 1.00 0.00 H new ATOM 0 HB2 GLN B 686 -1.278 9.104 -27.750 1.00 0.00 H new ATOM 0 HB3 GLN B 686 -1.191 7.577 -28.607 1.00 0.00 H new ATOM 0 HG2 GLN B 686 -1.578 8.834 -30.779 1.00 0.00 H new ATOM 0 HG3 GLN B 686 -1.515 10.336 -29.879 1.00 0.00 H new ATOM 0 HE21 GLN B 686 0.402 7.443 -30.828 1.00 0.00 H new ATOM 0 HE22 GLN B 686 1.982 8.193 -30.574 1.00 0.00 H new ATOM 1393 N VAL B 687 -3.537 8.089 -26.157 1.00 0.00 N ATOM 1394 CA VAL B 687 -3.952 7.325 -24.986 1.00 0.00 C ATOM 1395 C VAL B 687 -5.450 7.022 -25.045 1.00 0.00 C ATOM 1396 O VAL B 687 -5.924 5.969 -24.634 1.00 0.00 O ATOM 1397 CB VAL B 687 -3.655 8.101 -23.696 1.00 0.00 C ATOM 1398 CG1 VAL B 687 -3.861 7.139 -22.524 1.00 0.00 C ATOM 1399 CG2 VAL B 687 -2.238 8.680 -23.674 1.00 0.00 C ATOM 0 H VAL B 687 -3.209 9.033 -25.952 1.00 0.00 H new ATOM 0 HA VAL B 687 -3.389 6.392 -24.985 1.00 0.00 H new ATOM 0 HB VAL B 687 -4.329 8.955 -23.628 1.00 0.00 H new ATOM 0 HG11 VAL B 687 -3.658 7.658 -21.587 1.00 0.00 H new ATOM 0 HG12 VAL B 687 -4.890 6.780 -22.524 1.00 0.00 H new ATOM 0 HG13 VAL B 687 -3.182 6.293 -22.624 1.00 0.00 H new ATOM 0 HG21 VAL B 687 -2.080 9.219 -22.740 1.00 0.00 H new ATOM 0 HG22 VAL B 687 -1.513 7.870 -23.753 1.00 0.00 H new ATOM 0 HG23 VAL B 687 -2.111 9.364 -24.513 1.00 0.00 H new ATOM 1409 N PHE B 688 -6.209 7.978 -25.547 1.00 0.00 N ATOM 1410 CA PHE B 688 -7.636 7.935 -25.657 1.00 0.00 C ATOM 1411 C PHE B 688 -8.073 6.946 -26.754 1.00 0.00 C ATOM 1412 O PHE B 688 -9.219 6.506 -26.741 1.00 0.00 O ATOM 1413 CB PHE B 688 -8.032 9.393 -25.817 1.00 0.00 C ATOM 1414 CG PHE B 688 -9.507 9.679 -26.052 1.00 0.00 C ATOM 1415 CD1 PHE B 688 -10.467 9.438 -25.051 1.00 0.00 C ATOM 1416 CD2 PHE B 688 -9.919 10.192 -27.297 1.00 0.00 C ATOM 1417 CE1 PHE B 688 -11.824 9.730 -25.289 1.00 0.00 C ATOM 1418 CE2 PHE B 688 -11.273 10.480 -27.532 1.00 0.00 C ATOM 1419 CZ PHE B 688 -12.227 10.257 -26.526 1.00 0.00 C ATOM 0 H PHE B 688 -5.815 8.848 -25.905 1.00 0.00 H new ATOM 0 HA PHE B 688 -8.163 7.530 -24.793 1.00 0.00 H new ATOM 0 HB2 PHE B 688 -7.720 9.930 -24.922 1.00 0.00 H new ATOM 0 HB3 PHE B 688 -7.468 9.809 -26.652 1.00 0.00 H new ATOM 0 HD1 PHE B 688 -10.162 9.029 -24.099 1.00 0.00 H new ATOM 0 HD2 PHE B 688 -9.190 10.365 -28.075 1.00 0.00 H new ATOM 0 HE1 PHE B 688 -12.557 9.548 -24.517 1.00 0.00 H new ATOM 0 HE2 PHE B 688 -11.582 10.874 -28.489 1.00 0.00 H new ATOM 0 HZ PHE B 688 -13.267 10.490 -26.703 1.00 0.00 H new ATOM 1429 N TYR B 689 -7.163 6.516 -27.632 1.00 0.00 N ATOM 1430 CA TYR B 689 -7.350 5.426 -28.587 1.00 0.00 C ATOM 1431 C TYR B 689 -6.850 4.095 -27.988 1.00 0.00 C ATOM 1432 O TYR B 689 -7.331 3.029 -28.364 1.00 0.00 O ATOM 1433 CB TYR B 689 -6.600 5.758 -29.887 1.00 0.00 C ATOM 1434 CG TYR B 689 -7.040 7.003 -30.653 1.00 0.00 C ATOM 1435 CD1 TYR B 689 -8.310 7.596 -30.470 1.00 0.00 C ATOM 1436 CD2 TYR B 689 -6.141 7.582 -31.573 1.00 0.00 C ATOM 1437 CE1 TYR B 689 -8.663 8.763 -31.173 1.00 0.00 C ATOM 1438 CE2 TYR B 689 -6.491 8.744 -32.290 1.00 0.00 C ATOM 1439 CZ TYR B 689 -7.754 9.346 -32.086 1.00 0.00 C ATOM 1440 OH TYR B 689 -8.114 10.479 -32.761 1.00 0.00 O ATOM 0 H TYR B 689 -6.237 6.938 -27.698 1.00 0.00 H new ATOM 0 HA TYR B 689 -8.411 5.314 -28.808 1.00 0.00 H new ATOM 0 HB2 TYR B 689 -5.542 5.866 -29.647 1.00 0.00 H new ATOM 0 HB3 TYR B 689 -6.689 4.902 -30.556 1.00 0.00 H new ATOM 0 HD1 TYR B 689 -9.016 7.150 -29.785 1.00 0.00 H new ATOM 0 HD2 TYR B 689 -5.173 7.130 -31.730 1.00 0.00 H new ATOM 0 HE1 TYR B 689 -9.631 9.215 -31.015 1.00 0.00 H new ATOM 0 HE2 TYR B 689 -5.795 9.174 -32.995 1.00 0.00 H new ATOM 0 HH TYR B 689 -7.381 10.756 -33.349 1.00 0.00 H new ATOM 1450 N GLU B 690 -5.947 4.145 -27.004 1.00 0.00 N ATOM 1451 CA GLU B 690 -5.502 3.030 -26.143 1.00 0.00 C ATOM 1452 C GLU B 690 -6.622 2.606 -25.168 1.00 0.00 C ATOM 1453 O GLU B 690 -6.409 1.795 -24.264 1.00 0.00 O ATOM 1454 CB GLU B 690 -4.277 3.516 -25.336 1.00 0.00 C ATOM 1455 CG GLU B 690 -3.113 2.518 -25.278 1.00 0.00 C ATOM 1456 CD GLU B 690 -1.870 3.097 -24.563 1.00 0.00 C ATOM 1457 OE1 GLU B 690 -1.557 4.308 -24.707 1.00 0.00 O ATOM 1458 OE2 GLU B 690 -1.145 2.318 -23.898 1.00 0.00 O ATOM 0 H GLU B 690 -5.474 5.017 -26.768 1.00 0.00 H new ATOM 0 HA GLU B 690 -5.249 2.169 -26.761 1.00 0.00 H new ATOM 0 HB2 GLU B 690 -3.918 4.448 -25.772 1.00 0.00 H new ATOM 0 HB3 GLU B 690 -4.595 3.742 -24.318 1.00 0.00 H new ATOM 0 HG2 GLU B 690 -3.438 1.616 -24.760 1.00 0.00 H new ATOM 0 HG3 GLU B 690 -2.841 2.223 -26.291 1.00 0.00 H new ATOM 1465 N LEU B 691 -7.821 3.168 -25.345 1.00 0.00 N ATOM 1466 CA LEU B 691 -8.953 3.141 -24.443 1.00 0.00 C ATOM 1467 C LEU B 691 -10.168 2.426 -25.048 1.00 0.00 C ATOM 1468 O LEU B 691 -10.355 2.499 -26.261 1.00 0.00 O ATOM 1469 CB LEU B 691 -9.268 4.639 -24.221 1.00 0.00 C ATOM 1470 CG LEU B 691 -9.630 5.061 -22.806 1.00 0.00 C ATOM 1471 CD1 LEU B 691 -8.490 4.779 -21.820 1.00 0.00 C ATOM 1472 CD2 LEU B 691 -10.041 6.532 -22.801 1.00 0.00 C ATOM 0 H LEU B 691 -8.032 3.693 -26.194 1.00 0.00 H new ATOM 0 HA LEU B 691 -8.729 2.595 -23.527 1.00 0.00 H new ATOM 0 HB2 LEU B 691 -8.401 5.219 -24.537 1.00 0.00 H new ATOM 0 HB3 LEU B 691 -10.092 4.914 -24.879 1.00 0.00 H new ATOM 0 HG LEU B 691 -10.477 4.464 -22.468 1.00 0.00 H new ATOM 0 HD11 LEU B 691 -8.787 5.095 -20.820 1.00 0.00 H new ATOM 0 HD12 LEU B 691 -8.270 3.711 -21.813 1.00 0.00 H new ATOM 0 HD13 LEU B 691 -7.601 5.330 -22.125 1.00 0.00 H new ATOM 0 HD21 LEU B 691 -10.300 6.834 -21.786 1.00 0.00 H new ATOM 0 HD22 LEU B 691 -9.213 7.142 -23.161 1.00 0.00 H new ATOM 0 HD23 LEU B 691 -10.904 6.671 -23.453 1.00 0.00 H new ATOM 1484 N PRO B 692 -11.059 1.826 -24.235 1.00 0.00 N ATOM 1485 CA PRO B 692 -12.317 1.225 -24.696 1.00 0.00 C ATOM 1486 C PRO B 692 -13.260 2.284 -25.274 1.00 0.00 C ATOM 1487 O PRO B 692 -13.403 3.358 -24.690 1.00 0.00 O ATOM 1488 CB PRO B 692 -12.925 0.585 -23.443 1.00 0.00 C ATOM 1489 CG PRO B 692 -12.343 1.438 -22.312 1.00 0.00 C ATOM 1490 CD PRO B 692 -10.924 1.640 -22.801 1.00 0.00 C ATOM 0 HA PRO B 692 -12.152 0.501 -25.494 1.00 0.00 H new ATOM 0 HB2 PRO B 692 -14.014 0.621 -23.458 1.00 0.00 H new ATOM 0 HB3 PRO B 692 -12.642 -0.463 -23.346 1.00 0.00 H new ATOM 0 HG2 PRO B 692 -12.876 2.381 -22.191 1.00 0.00 H new ATOM 0 HG3 PRO B 692 -12.379 0.927 -21.350 1.00 0.00 H new ATOM 0 HD2 PRO B 692 -10.461 2.507 -22.330 1.00 0.00 H new ATOM 0 HD3 PRO B 692 -10.297 0.779 -22.569 1.00 0.00 H new ATOM 1498 N GLU B 693 -13.957 1.985 -26.372 1.00 0.00 N ATOM 1499 CA GLU B 693 -14.835 2.965 -27.018 1.00 0.00 C ATOM 1500 C GLU B 693 -16.002 3.374 -26.128 1.00 0.00 C ATOM 1501 O GLU B 693 -16.453 4.510 -26.196 1.00 0.00 O ATOM 1502 CB GLU B 693 -15.338 2.479 -28.385 1.00 0.00 C ATOM 1503 CG GLU B 693 -16.308 1.283 -28.396 1.00 0.00 C ATOM 1504 CD GLU B 693 -17.107 1.244 -29.709 1.00 0.00 C ATOM 1505 OE1 GLU B 693 -17.981 2.129 -29.896 1.00 0.00 O ATOM 1506 OE2 GLU B 693 -16.870 0.347 -30.551 1.00 0.00 O ATOM 0 H GLU B 693 -13.931 1.075 -26.832 1.00 0.00 H new ATOM 0 HA GLU B 693 -14.223 3.852 -27.185 1.00 0.00 H new ATOM 0 HB2 GLU B 693 -15.829 3.316 -28.881 1.00 0.00 H new ATOM 0 HB3 GLU B 693 -14.470 2.215 -28.989 1.00 0.00 H new ATOM 0 HG2 GLU B 693 -15.750 0.354 -28.276 1.00 0.00 H new ATOM 0 HG3 GLU B 693 -16.992 1.355 -27.550 1.00 0.00 H new ATOM 1513 N ALA B 694 -16.487 2.470 -25.279 1.00 0.00 N ATOM 1514 CA ALA B 694 -17.682 2.717 -24.481 1.00 0.00 C ATOM 1515 C ALA B 694 -17.392 3.764 -23.406 1.00 0.00 C ATOM 1516 O ALA B 694 -18.175 4.691 -23.198 1.00 0.00 O ATOM 1517 CB ALA B 694 -18.137 1.386 -23.884 1.00 0.00 C ATOM 0 H ALA B 694 -16.066 1.554 -25.127 1.00 0.00 H new ATOM 0 HA ALA B 694 -18.486 3.118 -25.098 1.00 0.00 H new ATOM 0 HB1 ALA B 694 -19.031 1.544 -23.281 1.00 0.00 H new ATOM 0 HB2 ALA B 694 -18.360 0.684 -24.688 1.00 0.00 H new ATOM 0 HB3 ALA B 694 -17.344 0.979 -23.257 1.00 0.00 H new ATOM 1523 N VAL B 695 -16.220 3.664 -22.765 1.00 0.00 N ATOM 1524 CA VAL B 695 -15.814 4.665 -21.782 1.00 0.00 C ATOM 1525 C VAL B 695 -15.475 5.959 -22.518 1.00 0.00 C ATOM 1526 O VAL B 695 -15.848 7.024 -22.037 1.00 0.00 O ATOM 1527 CB VAL B 695 -14.674 4.180 -20.864 1.00 0.00 C ATOM 1528 CG1 VAL B 695 -14.598 5.111 -19.641 1.00 0.00 C ATOM 1529 CG2 VAL B 695 -14.878 2.742 -20.355 1.00 0.00 C ATOM 0 H VAL B 695 -15.548 2.910 -22.909 1.00 0.00 H new ATOM 0 HA VAL B 695 -16.645 4.850 -21.101 1.00 0.00 H new ATOM 0 HB VAL B 695 -13.758 4.197 -21.454 1.00 0.00 H new ATOM 0 HG11 VAL B 695 -13.796 4.781 -18.982 1.00 0.00 H new ATOM 0 HG12 VAL B 695 -14.399 6.130 -19.972 1.00 0.00 H new ATOM 0 HG13 VAL B 695 -15.545 5.082 -19.102 1.00 0.00 H new ATOM 0 HG21 VAL B 695 -14.042 2.461 -19.715 1.00 0.00 H new ATOM 0 HG22 VAL B 695 -15.806 2.686 -19.786 1.00 0.00 H new ATOM 0 HG23 VAL B 695 -14.931 2.060 -21.203 1.00 0.00 H new ATOM 1539 N GLN B 696 -14.856 5.899 -23.708 1.00 0.00 N ATOM 1540 CA GLN B 696 -14.652 7.113 -24.497 1.00 0.00 C ATOM 1541 C GLN B 696 -15.998 7.799 -24.771 1.00 0.00 C ATOM 1542 O GLN B 696 -16.085 9.014 -24.649 1.00 0.00 O ATOM 1543 CB GLN B 696 -13.979 6.830 -25.848 1.00 0.00 C ATOM 1544 CG GLN B 696 -12.528 6.333 -25.814 1.00 0.00 C ATOM 1545 CD GLN B 696 -12.114 5.929 -27.237 1.00 0.00 C ATOM 1546 OE1 GLN B 696 -12.218 6.713 -28.181 1.00 0.00 O ATOM 1547 NE2 GLN B 696 -11.723 4.684 -27.461 1.00 0.00 N ATOM 0 H GLN B 696 -14.498 5.043 -24.132 1.00 0.00 H new ATOM 0 HA GLN B 696 -13.997 7.756 -23.909 1.00 0.00 H new ATOM 0 HB2 GLN B 696 -14.579 6.089 -26.376 1.00 0.00 H new ATOM 0 HB3 GLN B 696 -14.010 7.745 -26.440 1.00 0.00 H new ATOM 0 HG2 GLN B 696 -11.869 7.115 -25.436 1.00 0.00 H new ATOM 0 HG3 GLN B 696 -12.435 5.483 -25.138 1.00 0.00 H new ATOM 0 HE21 GLN B 696 -11.635 4.029 -26.684 1.00 0.00 H new ATOM 0 HE22 GLN B 696 -11.510 4.379 -28.411 1.00 0.00 H new ATOM 1556 N LYS B 697 -17.049 7.030 -25.091 1.00 0.00 N ATOM 1557 CA LYS B 697 -18.398 7.548 -25.322 1.00 0.00 C ATOM 1558 C LYS B 697 -18.886 8.348 -24.114 1.00 0.00 C ATOM 1559 O LYS B 697 -19.406 9.452 -24.289 1.00 0.00 O ATOM 1560 CB LYS B 697 -19.367 6.385 -25.660 1.00 0.00 C ATOM 1561 CG LYS B 697 -20.223 6.615 -26.922 1.00 0.00 C ATOM 1562 CD LYS B 697 -19.925 5.630 -28.067 1.00 0.00 C ATOM 1563 CE LYS B 697 -18.505 5.774 -28.644 1.00 0.00 C ATOM 1564 NZ LYS B 697 -18.311 4.934 -29.861 1.00 0.00 N ATOM 0 H LYS B 697 -16.981 6.018 -25.197 1.00 0.00 H new ATOM 0 HA LYS B 697 -18.372 8.226 -26.175 1.00 0.00 H new ATOM 0 HB2 LYS B 697 -18.787 5.471 -25.791 1.00 0.00 H new ATOM 0 HB3 LYS B 697 -20.030 6.223 -24.811 1.00 0.00 H new ATOM 0 HG2 LYS B 697 -21.277 6.537 -26.654 1.00 0.00 H new ATOM 0 HG3 LYS B 697 -20.060 7.632 -27.279 1.00 0.00 H new ATOM 0 HD2 LYS B 697 -20.060 4.611 -27.704 1.00 0.00 H new ATOM 0 HD3 LYS B 697 -20.651 5.783 -28.866 1.00 0.00 H new ATOM 0 HE2 LYS B 697 -18.318 6.819 -28.891 1.00 0.00 H new ATOM 0 HE3 LYS B 697 -17.775 5.490 -27.886 1.00 0.00 H new ATOM 0 HZ1 LYS B 697 -17.453 5.241 -30.361 1.00 0.00 H new ATOM 0 HZ2 LYS B 697 -18.212 3.937 -29.582 1.00 0.00 H new ATOM 0 HZ3 LYS B 697 -19.133 5.038 -30.489 1.00 0.00 H new ATOM 1578 N GLU B 698 -18.672 7.813 -22.904 1.00 0.00 N ATOM 1579 CA GLU B 698 -19.021 8.509 -21.659 1.00 0.00 C ATOM 1580 C GLU B 698 -18.321 9.859 -21.647 1.00 0.00 C ATOM 1581 O GLU B 698 -18.932 10.909 -21.481 1.00 0.00 O ATOM 1582 CB GLU B 698 -18.572 7.745 -20.390 1.00 0.00 C ATOM 1583 CG GLU B 698 -19.508 8.039 -19.209 1.00 0.00 C ATOM 1584 CD GLU B 698 -20.614 6.978 -19.088 1.00 0.00 C ATOM 1585 OE1 GLU B 698 -21.679 7.122 -19.739 1.00 0.00 O ATOM 1586 OE2 GLU B 698 -20.408 6.000 -18.329 1.00 0.00 O ATOM 0 H GLU B 698 -18.255 6.893 -22.762 1.00 0.00 H new ATOM 0 HA GLU B 698 -20.107 8.597 -21.637 1.00 0.00 H new ATOM 0 HB2 GLU B 698 -18.561 6.674 -20.591 1.00 0.00 H new ATOM 0 HB3 GLU B 698 -17.553 8.031 -20.131 1.00 0.00 H new ATOM 0 HG2 GLU B 698 -18.931 8.071 -18.285 1.00 0.00 H new ATOM 0 HG3 GLU B 698 -19.959 9.023 -19.337 1.00 0.00 H new ATOM 1593 N LEU B 699 -17.008 9.782 -21.839 1.00 0.00 N ATOM 1594 CA LEU B 699 -16.069 10.869 -21.687 1.00 0.00 C ATOM 1595 C LEU B 699 -16.432 11.978 -22.638 1.00 0.00 C ATOM 1596 O LEU B 699 -16.786 13.039 -22.169 1.00 0.00 O ATOM 1597 CB LEU B 699 -14.666 10.310 -21.950 1.00 0.00 C ATOM 1598 CG LEU B 699 -13.912 9.818 -20.709 1.00 0.00 C ATOM 1599 CD1 LEU B 699 -14.783 9.153 -19.633 1.00 0.00 C ATOM 1600 CD2 LEU B 699 -12.857 8.824 -21.208 1.00 0.00 C ATOM 0 H LEU B 699 -16.555 8.912 -22.119 1.00 0.00 H new ATOM 0 HA LEU B 699 -16.096 11.290 -20.682 1.00 0.00 H new ATOM 0 HB2 LEU B 699 -14.749 9.483 -22.656 1.00 0.00 H new ATOM 0 HB3 LEU B 699 -14.070 11.084 -22.434 1.00 0.00 H new ATOM 0 HG LEU B 699 -13.487 10.690 -20.211 1.00 0.00 H new ATOM 0 HD11 LEU B 699 -14.155 8.841 -18.798 1.00 0.00 H new ATOM 0 HD12 LEU B 699 -15.530 9.864 -19.279 1.00 0.00 H new ATOM 0 HD13 LEU B 699 -15.283 8.282 -20.057 1.00 0.00 H new ATOM 0 HD21 LEU B 699 -12.288 8.441 -20.361 1.00 0.00 H new ATOM 0 HD22 LEU B 699 -13.350 7.996 -21.718 1.00 0.00 H new ATOM 0 HD23 LEU B 699 -12.182 9.327 -21.900 1.00 0.00 H new ATOM 1612 N LEU B 700 -16.418 11.745 -23.946 1.00 0.00 N ATOM 1613 CA LEU B 700 -16.663 12.786 -24.935 1.00 0.00 C ATOM 1614 C LEU B 700 -18.033 13.423 -24.754 1.00 0.00 C ATOM 1615 O LEU B 700 -18.139 14.641 -24.891 1.00 0.00 O ATOM 1616 CB LEU B 700 -16.434 12.275 -26.370 1.00 0.00 C ATOM 1617 CG LEU B 700 -17.335 11.103 -26.799 1.00 0.00 C ATOM 1618 CD1 LEU B 700 -18.545 11.549 -27.626 1.00 0.00 C ATOM 1619 CD2 LEU B 700 -16.534 10.066 -27.599 1.00 0.00 C ATOM 0 H LEU B 700 -16.236 10.826 -24.350 1.00 0.00 H new ATOM 0 HA LEU B 700 -15.930 13.575 -24.767 1.00 0.00 H new ATOM 0 HB2 LEU B 700 -16.587 13.103 -27.062 1.00 0.00 H new ATOM 0 HB3 LEU B 700 -15.393 11.967 -26.467 1.00 0.00 H new ATOM 0 HG LEU B 700 -17.709 10.658 -25.877 1.00 0.00 H new ATOM 0 HD11 LEU B 700 -19.141 10.678 -27.898 1.00 0.00 H new ATOM 0 HD12 LEU B 700 -19.154 12.236 -27.039 1.00 0.00 H new ATOM 0 HD13 LEU B 700 -18.202 12.051 -28.531 1.00 0.00 H new ATOM 0 HD21 LEU B 700 -17.190 9.247 -27.892 1.00 0.00 H new ATOM 0 HD22 LEU B 700 -16.119 10.536 -28.491 1.00 0.00 H new ATOM 0 HD23 LEU B 700 -15.723 9.679 -26.983 1.00 0.00 H new ATOM 1631 N ALA B 701 -19.063 12.639 -24.421 1.00 0.00 N ATOM 1632 CA ALA B 701 -20.401 13.180 -24.273 1.00 0.00 C ATOM 1633 C ALA B 701 -20.479 14.052 -23.025 1.00 0.00 C ATOM 1634 O ALA B 701 -20.913 15.197 -23.107 1.00 0.00 O ATOM 1635 CB ALA B 701 -21.404 12.029 -24.237 1.00 0.00 C ATOM 0 H ALA B 701 -18.989 11.636 -24.252 1.00 0.00 H new ATOM 0 HA ALA B 701 -20.647 13.817 -25.123 1.00 0.00 H new ATOM 0 HB1 ALA B 701 -22.412 12.428 -24.126 1.00 0.00 H new ATOM 0 HB2 ALA B 701 -21.339 11.461 -25.165 1.00 0.00 H new ATOM 0 HB3 ALA B 701 -21.178 11.375 -23.395 1.00 0.00 H new ATOM 1641 N GLU B 702 -20.021 13.552 -21.878 1.00 0.00 N ATOM 1642 CA GLU B 702 -20.029 14.312 -20.636 1.00 0.00 C ATOM 1643 C GLU B 702 -19.094 15.504 -20.726 1.00 0.00 C ATOM 1644 O GLU B 702 -19.419 16.555 -20.171 1.00 0.00 O ATOM 1645 CB GLU B 702 -19.591 13.432 -19.464 1.00 0.00 C ATOM 1646 CG GLU B 702 -20.565 12.314 -19.095 1.00 0.00 C ATOM 1647 CD GLU B 702 -21.846 12.828 -18.415 1.00 0.00 C ATOM 1648 OE1 GLU B 702 -22.706 13.424 -19.102 1.00 0.00 O ATOM 1649 OE2 GLU B 702 -22.020 12.614 -17.193 1.00 0.00 O ATOM 0 H GLU B 702 -19.636 12.612 -21.787 1.00 0.00 H new ATOM 0 HA GLU B 702 -21.048 14.662 -20.472 1.00 0.00 H new ATOM 0 HB2 GLU B 702 -18.625 12.987 -19.705 1.00 0.00 H new ATOM 0 HB3 GLU B 702 -19.441 14.066 -18.590 1.00 0.00 H new ATOM 0 HG2 GLU B 702 -20.835 11.764 -19.996 1.00 0.00 H new ATOM 0 HG3 GLU B 702 -20.065 11.610 -18.430 1.00 0.00 H new ATOM 1656 N TRP B 703 -17.960 15.363 -21.417 1.00 0.00 N ATOM 1657 CA TRP B 703 -16.974 16.417 -21.502 1.00 0.00 C ATOM 1658 C TRP B 703 -17.645 17.627 -22.163 1.00 0.00 C ATOM 1659 O TRP B 703 -17.671 18.702 -21.574 1.00 0.00 O ATOM 1660 CB TRP B 703 -15.706 16.015 -22.292 1.00 0.00 C ATOM 1661 CG TRP B 703 -14.713 14.991 -21.781 1.00 0.00 C ATOM 1662 CD1 TRP B 703 -14.555 14.572 -20.504 1.00 0.00 C ATOM 1663 CD2 TRP B 703 -13.724 14.225 -22.546 1.00 0.00 C ATOM 1664 NE1 TRP B 703 -13.583 13.597 -20.432 1.00 0.00 N ATOM 1665 CE2 TRP B 703 -12.999 13.376 -21.652 1.00 0.00 C ATOM 1666 CE3 TRP B 703 -13.370 14.140 -23.910 1.00 0.00 C ATOM 1667 CZ2 TRP B 703 -11.995 12.495 -22.074 1.00 0.00 C ATOM 1668 CZ3 TRP B 703 -12.391 13.233 -24.354 1.00 0.00 C ATOM 1669 CH2 TRP B 703 -11.718 12.406 -23.443 1.00 0.00 C ATOM 0 H TRP B 703 -17.710 14.516 -21.927 1.00 0.00 H new ATOM 0 HA TRP B 703 -16.631 16.645 -20.493 1.00 0.00 H new ATOM 0 HB2 TRP B 703 -16.046 15.660 -23.265 1.00 0.00 H new ATOM 0 HB3 TRP B 703 -15.144 16.933 -22.466 1.00 0.00 H new ATOM 0 HD1 TRP B 703 -15.112 14.949 -19.659 1.00 0.00 H new ATOM 0 HE1 TRP B 703 -13.330 13.102 -19.577 1.00 0.00 H new ATOM 0 HE3 TRP B 703 -13.860 14.783 -24.626 1.00 0.00 H new ATOM 0 HZ2 TRP B 703 -11.447 11.898 -21.360 1.00 0.00 H new ATOM 0 HZ3 TRP B 703 -12.155 13.173 -25.406 1.00 0.00 H new ATOM 0 HH2 TRP B 703 -10.984 11.698 -23.799 1.00 0.00 H new