USER MOD reduce.3.24.130724 H: found=0, std=0, add=752, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 751 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 19 LYS NZ :NH3+ -127:sc= -0.0496 (180deg=-0.88) USER MOD Single : A 25 LYS NZ :NH3+ -140:sc= -1.24 (180deg=-3.04!) USER MOD Single : A 26 GLN : amide:sc= -1.82 X(o=-1.8,f=-1.8) USER MOD Single : A 27 LYS NZ :NH3+ -128:sc= -1.31 (180deg=-3.92!) USER MOD Single : A 38 SER OG : rot 51:sc= 0.76 USER MOD Single : A 42 SER OG : rot -38:sc= 0.503 USER MOD Single : A 46 THR OG1 : rot -133:sc= -0.928 USER MOD Single : A 51 ASN : amide:sc= -0.267 K(o=-0.27,f=-1.9!) USER MOD Single : A 52 MET CE :methyl -162:sc= -0.346 (180deg=-1.19) USER MOD Single : A 53 MET CE :methyl -132:sc= -6.4! (180deg=-11.2!) USER MOD Single : A 54 HIS : no HE2:sc= -0.155 K(o=-0.16,f=-1.6) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 160:sc= 0.00703 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= -0.429 X(o=-0.43,f=-0.61) USER MOD Single : A 69 GLN : amide:sc= -8.88! C(o=-8.9!,f=-19!) USER MOD Single : A 71 MET CE :methyl -163:sc= -9.1! (180deg=-10.2!) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= -1.4 K(o=-1.4,f=-2.2!) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot -170:sc= -1.16 USER MOD Single : A 86 CYS SG : rot 76:sc= -0.698 USER MOD Single : A 87 GLN : amide:sc= -3.48! K(o=-3.5!,f=-1.1) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 142:sc= -2.41 (180deg=-7.81!) USER MOD Single : A 94 LYS NZ :NH3+ 157:sc= -0.113 (180deg=-0.568) USER MOD Single : A 95 ASN : amide:sc= -0.0397 K(o=-0.04,f=-3.3!) USER MOD Single : A 96 GLN : amide:sc= -2 K(o=-2,f=-7.7!) USER MOD Single : A 97 SER OG : rot -18:sc= 1.19 USER MOD Single : A 100 LYS NZ :NH3+ 150:sc= -0.0159 (180deg=-0.247) USER MOD Single : A 102 ASN : amide:sc= -2.2 X(o=-2.2,f=-1.8) USER MOD Single : B -1 TYR OH : rot 30:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 17 -15.383 -9.452 -9.056 1.00 0.00 N ATOM 2 CA GLU A 17 -14.734 -8.855 -10.219 1.00 0.00 C ATOM 3 C GLU A 17 -13.790 -7.733 -9.801 1.00 0.00 C ATOM 4 O GLU A 17 -14.228 -6.678 -9.338 1.00 0.00 O ATOM 5 CB GLU A 17 -15.783 -8.317 -11.195 1.00 0.00 C ATOM 6 CG GLU A 17 -15.198 -7.840 -12.514 1.00 0.00 C ATOM 7 CD GLU A 17 -14.755 -8.986 -13.403 1.00 0.00 C ATOM 8 OE1 GLU A 17 -13.742 -9.637 -13.072 1.00 0.00 O ATOM 9 OE2 GLU A 17 -15.422 -9.232 -14.430 1.00 0.00 O ATOM 0 HA GLU A 17 -14.150 -9.631 -10.714 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -16.517 -9.098 -11.394 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -16.316 -7.491 -10.724 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -15.941 -7.242 -13.042 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -14.347 -7.189 -12.316 1.00 0.00 H new ATOM 16 N PHE A 18 -12.492 -7.965 -9.967 1.00 0.00 N ATOM 17 CA PHE A 18 -11.483 -6.974 -9.609 1.00 0.00 C ATOM 18 C PHE A 18 -11.698 -5.680 -10.381 1.00 0.00 C ATOM 19 O PHE A 18 -12.225 -5.692 -11.493 1.00 0.00 O ATOM 20 CB PHE A 18 -10.082 -7.516 -9.893 1.00 0.00 C ATOM 21 CG PHE A 18 -9.406 -8.080 -8.681 1.00 0.00 C ATOM 22 CD1 PHE A 18 -10.058 -9.001 -7.878 1.00 0.00 C ATOM 23 CD2 PHE A 18 -8.120 -7.693 -8.343 1.00 0.00 C ATOM 24 CE1 PHE A 18 -9.440 -9.526 -6.760 1.00 0.00 C ATOM 25 CE2 PHE A 18 -7.497 -8.213 -7.227 1.00 0.00 C ATOM 26 CZ PHE A 18 -8.158 -9.131 -6.436 1.00 0.00 C ATOM 0 H PHE A 18 -12.113 -8.832 -10.348 1.00 0.00 H new ATOM 0 HA PHE A 18 -11.578 -6.765 -8.543 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -10.148 -8.291 -10.657 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -9.467 -6.715 -10.304 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -11.061 -9.312 -8.129 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -7.599 -6.976 -8.960 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -9.958 -10.243 -6.141 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -6.494 -7.902 -6.973 1.00 0.00 H new ATOM 0 HZ PHE A 18 -7.672 -9.540 -5.563 1.00 0.00 H new ATOM 36 N LYS A 19 -11.287 -4.564 -9.791 1.00 0.00 N ATOM 37 CA LYS A 19 -11.441 -3.273 -10.442 1.00 0.00 C ATOM 38 C LYS A 19 -10.619 -2.186 -9.755 1.00 0.00 C ATOM 39 O LYS A 19 -10.702 -1.996 -8.538 1.00 0.00 O ATOM 40 CB LYS A 19 -12.916 -2.869 -10.471 1.00 0.00 C ATOM 41 CG LYS A 19 -13.622 -3.038 -9.134 1.00 0.00 C ATOM 42 CD LYS A 19 -14.078 -1.703 -8.570 1.00 0.00 C ATOM 43 CE LYS A 19 -15.046 -0.998 -9.508 1.00 0.00 C ATOM 44 NZ LYS A 19 -16.443 -1.036 -8.995 1.00 0.00 N ATOM 0 H LYS A 19 -10.848 -4.528 -8.871 1.00 0.00 H new ATOM 0 HA LYS A 19 -11.070 -3.376 -11.462 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -12.992 -1.827 -10.783 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -13.432 -3.466 -11.223 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -14.483 -3.695 -9.257 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -12.950 -3.523 -8.426 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -14.557 -1.861 -7.604 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -13.211 -1.066 -8.396 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -14.735 0.039 -9.638 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -15.007 -1.468 -10.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -17.072 -1.417 -9.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -16.487 -1.643 -8.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -16.747 -0.074 -8.744 1.00 0.00 H new ATOM 58 N ASP A 20 -9.843 -1.467 -10.558 1.00 0.00 N ATOM 59 CA ASP A 20 -9.016 -0.372 -10.060 1.00 0.00 C ATOM 60 C ASP A 20 -9.906 0.772 -9.588 1.00 0.00 C ATOM 61 O ASP A 20 -10.725 1.289 -10.347 1.00 0.00 O ATOM 62 CB ASP A 20 -8.066 0.118 -11.155 1.00 0.00 C ATOM 63 CG ASP A 20 -6.650 -0.391 -10.963 1.00 0.00 C ATOM 64 OD1 ASP A 20 -6.228 -0.545 -9.799 1.00 0.00 O ATOM 65 OD2 ASP A 20 -5.965 -0.635 -11.979 1.00 0.00 O ATOM 0 H ASP A 20 -9.769 -1.624 -11.563 1.00 0.00 H new ATOM 0 HA ASP A 20 -8.421 -0.732 -9.221 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -8.437 -0.207 -12.127 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -8.059 1.208 -11.165 1.00 0.00 H new ATOM 70 N VAL A 21 -9.750 1.151 -8.328 1.00 0.00 N ATOM 71 CA VAL A 21 -10.548 2.218 -7.745 1.00 0.00 C ATOM 72 C VAL A 21 -9.727 3.483 -7.558 1.00 0.00 C ATOM 73 O VAL A 21 -8.828 3.533 -6.720 1.00 0.00 O ATOM 74 CB VAL A 21 -11.137 1.795 -6.387 1.00 0.00 C ATOM 75 CG1 VAL A 21 -12.047 2.881 -5.831 1.00 0.00 C ATOM 76 CG2 VAL A 21 -11.883 0.476 -6.521 1.00 0.00 C ATOM 0 H VAL A 21 -9.075 0.733 -7.688 1.00 0.00 H new ATOM 0 HA VAL A 21 -11.362 2.421 -8.441 1.00 0.00 H new ATOM 0 HB VAL A 21 -10.316 1.654 -5.684 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -12.452 2.560 -4.871 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -11.476 3.800 -5.695 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -12.865 3.062 -6.528 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -12.294 0.190 -5.553 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -12.694 0.588 -7.240 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -11.196 -0.297 -6.866 1.00 0.00 H new ATOM 86 N PHE A 22 -10.050 4.508 -8.334 1.00 0.00 N ATOM 87 CA PHE A 22 -9.343 5.773 -8.239 1.00 0.00 C ATOM 88 C PHE A 22 -10.219 6.836 -7.587 1.00 0.00 C ATOM 89 O PHE A 22 -11.247 7.229 -8.139 1.00 0.00 O ATOM 90 CB PHE A 22 -8.889 6.247 -9.620 1.00 0.00 C ATOM 91 CG PHE A 22 -7.499 6.816 -9.619 1.00 0.00 C ATOM 92 CD1 PHE A 22 -6.927 7.273 -8.440 1.00 0.00 C ATOM 93 CD2 PHE A 22 -6.763 6.888 -10.787 1.00 0.00 C ATOM 94 CE1 PHE A 22 -5.655 7.788 -8.429 1.00 0.00 C ATOM 95 CE2 PHE A 22 -5.483 7.406 -10.779 1.00 0.00 C ATOM 96 CZ PHE A 22 -4.932 7.854 -9.595 1.00 0.00 C ATOM 0 H PHE A 22 -10.793 4.487 -9.032 1.00 0.00 H new ATOM 0 HA PHE A 22 -8.462 5.616 -7.616 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -8.932 5.410 -10.317 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -9.584 7.003 -9.985 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -7.490 7.223 -7.520 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -7.193 6.536 -11.713 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -5.223 8.141 -7.504 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -4.915 7.461 -11.696 1.00 0.00 H new ATOM 0 HZ PHE A 22 -3.930 8.257 -9.586 1.00 0.00 H new ATOM 106 N ILE A 23 -9.807 7.295 -6.412 1.00 0.00 N ATOM 107 CA ILE A 23 -10.558 8.311 -5.688 1.00 0.00 C ATOM 108 C ILE A 23 -9.771 9.611 -5.587 1.00 0.00 C ATOM 109 O ILE A 23 -8.899 9.759 -4.731 1.00 0.00 O ATOM 110 CB ILE A 23 -10.928 7.830 -4.271 1.00 0.00 C ATOM 111 CG1 ILE A 23 -11.678 6.499 -4.350 1.00 0.00 C ATOM 112 CG2 ILE A 23 -11.761 8.879 -3.547 1.00 0.00 C ATOM 113 CD1 ILE A 23 -13.081 6.622 -4.900 1.00 0.00 C ATOM 0 H ILE A 23 -8.959 6.980 -5.941 1.00 0.00 H new ATOM 0 HA ILE A 23 -11.473 8.491 -6.252 1.00 0.00 H new ATOM 0 HB ILE A 23 -10.011 7.679 -3.701 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -11.111 5.810 -4.976 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -11.725 6.059 -3.354 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -12.011 8.519 -2.549 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -11.191 9.805 -3.467 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -12.678 9.065 -4.106 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -13.549 5.638 -4.926 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -13.665 7.285 -4.262 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -13.042 7.032 -5.909 1.00 0.00 H new ATOM 125 N GLU A 24 -10.093 10.555 -6.463 1.00 0.00 N ATOM 126 CA GLU A 24 -9.426 11.852 -6.469 1.00 0.00 C ATOM 127 C GLU A 24 -9.950 12.711 -5.326 1.00 0.00 C ATOM 128 O GLU A 24 -11.115 13.112 -5.322 1.00 0.00 O ATOM 129 CB GLU A 24 -9.647 12.560 -7.809 1.00 0.00 C ATOM 130 CG GLU A 24 -8.356 12.963 -8.502 1.00 0.00 C ATOM 131 CD GLU A 24 -8.492 14.257 -9.279 1.00 0.00 C ATOM 132 OE1 GLU A 24 -8.871 14.200 -10.467 1.00 0.00 O ATOM 133 OE2 GLU A 24 -8.220 15.330 -8.698 1.00 0.00 O ATOM 0 H GLU A 24 -10.812 10.447 -7.179 1.00 0.00 H new ATOM 0 HA GLU A 24 -8.356 11.697 -6.333 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -10.214 11.903 -8.469 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -10.255 13.450 -7.645 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -7.567 13.071 -7.758 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -8.048 12.167 -9.180 1.00 0.00 H new ATOM 140 N LYS A 25 -9.093 12.981 -4.351 1.00 0.00 N ATOM 141 CA LYS A 25 -9.484 13.779 -3.197 1.00 0.00 C ATOM 142 C LYS A 25 -8.439 14.842 -2.878 1.00 0.00 C ATOM 143 O LYS A 25 -7.505 15.059 -3.649 1.00 0.00 O ATOM 144 CB LYS A 25 -9.694 12.872 -1.982 1.00 0.00 C ATOM 145 CG LYS A 25 -8.431 12.151 -1.539 1.00 0.00 C ATOM 146 CD LYS A 25 -8.623 10.642 -1.527 1.00 0.00 C ATOM 147 CE LYS A 25 -7.572 9.956 -0.671 1.00 0.00 C ATOM 148 NZ LYS A 25 -6.356 9.606 -1.456 1.00 0.00 N ATOM 0 H LYS A 25 -8.125 12.660 -4.336 1.00 0.00 H new ATOM 0 HA LYS A 25 -10.418 14.286 -3.438 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -10.071 13.470 -1.153 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -10.461 12.134 -2.217 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -7.610 12.409 -2.209 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -8.148 12.490 -0.543 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -9.616 10.403 -1.147 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -8.571 10.259 -2.546 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -7.294 10.610 0.156 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -7.994 9.051 -0.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -6.011 8.669 -1.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -6.590 9.588 -2.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -5.616 10.316 -1.285 1.00 0.00 H new ATOM 162 N GLN A 26 -8.605 15.497 -1.736 1.00 0.00 N ATOM 163 CA GLN A 26 -7.679 16.536 -1.305 1.00 0.00 C ATOM 164 C GLN A 26 -6.999 16.138 -0.001 1.00 0.00 C ATOM 165 O GLN A 26 -7.508 15.303 0.746 1.00 0.00 O ATOM 166 CB GLN A 26 -8.417 17.865 -1.124 1.00 0.00 C ATOM 167 CG GLN A 26 -9.009 18.412 -2.413 1.00 0.00 C ATOM 168 CD GLN A 26 -10.149 17.562 -2.939 1.00 0.00 C ATOM 169 OE1 GLN A 26 -10.148 17.152 -4.099 1.00 0.00 O ATOM 170 NE2 GLN A 26 -11.130 17.291 -2.086 1.00 0.00 N ATOM 0 H GLN A 26 -9.375 15.326 -1.090 1.00 0.00 H new ATOM 0 HA GLN A 26 -6.917 16.657 -2.075 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -9.216 17.731 -0.395 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -7.728 18.601 -0.710 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -9.367 19.427 -2.242 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -8.227 18.473 -3.170 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -11.091 17.651 -1.133 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -11.923 16.723 -2.384 1.00 0.00 H new ATOM 179 N LYS A 27 -5.847 16.740 0.269 1.00 0.00 N ATOM 180 CA LYS A 27 -5.100 16.449 1.485 1.00 0.00 C ATOM 181 C LYS A 27 -5.940 16.733 2.720 1.00 0.00 C ATOM 182 O LYS A 27 -6.757 17.655 2.733 1.00 0.00 O ATOM 183 CB LYS A 27 -3.812 17.274 1.532 1.00 0.00 C ATOM 184 CG LYS A 27 -2.644 16.626 0.811 1.00 0.00 C ATOM 185 CD LYS A 27 -2.789 16.731 -0.696 1.00 0.00 C ATOM 186 CE LYS A 27 -1.764 15.866 -1.409 1.00 0.00 C ATOM 187 NZ LYS A 27 -1.577 16.276 -2.831 1.00 0.00 N ATOM 0 H LYS A 27 -5.410 17.433 -0.339 1.00 0.00 H new ATOM 0 HA LYS A 27 -4.844 15.390 1.476 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -4.002 18.252 1.091 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -3.537 17.442 2.573 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -1.714 17.103 1.122 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -2.575 15.577 1.098 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -3.793 16.425 -0.989 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -2.669 17.770 -1.004 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -0.810 15.929 -0.885 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -2.080 14.824 -1.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -1.685 15.446 -3.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -2.290 16.990 -3.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -0.626 16.678 -2.954 1.00 0.00 H new ATOM 201 N GLY A 28 -5.736 15.930 3.755 1.00 0.00 N ATOM 202 CA GLY A 28 -6.484 16.106 4.983 1.00 0.00 C ATOM 203 C GLY A 28 -7.918 15.629 4.859 1.00 0.00 C ATOM 204 O GLY A 28 -8.771 15.994 5.668 1.00 0.00 O ATOM 0 H GLY A 28 -5.066 15.161 3.766 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -5.991 15.560 5.787 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -6.477 17.160 5.262 1.00 0.00 H new ATOM 208 N GLU A 29 -8.183 14.804 3.850 1.00 0.00 N ATOM 209 CA GLU A 29 -9.519 14.269 3.633 1.00 0.00 C ATOM 210 C GLU A 29 -9.459 12.759 3.479 1.00 0.00 C ATOM 211 O GLU A 29 -10.294 12.159 2.804 1.00 0.00 O ATOM 212 CB GLU A 29 -10.166 14.912 2.403 1.00 0.00 C ATOM 213 CG GLU A 29 -11.374 15.776 2.732 1.00 0.00 C ATOM 214 CD GLU A 29 -11.013 16.985 3.572 1.00 0.00 C ATOM 215 OE1 GLU A 29 -10.949 16.849 4.812 1.00 0.00 O ATOM 216 OE2 GLU A 29 -10.796 18.069 2.991 1.00 0.00 O ATOM 0 H GLU A 29 -7.489 14.493 3.171 1.00 0.00 H new ATOM 0 HA GLU A 29 -10.134 14.506 4.501 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -9.423 15.522 1.889 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -10.469 14.127 1.710 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -11.842 16.108 1.805 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -12.112 15.175 3.264 1.00 0.00 H new ATOM 223 N ILE A 30 -8.459 12.171 4.131 1.00 0.00 N ATOM 224 CA ILE A 30 -8.223 10.720 4.128 1.00 0.00 C ATOM 225 C ILE A 30 -8.916 10.001 2.969 1.00 0.00 C ATOM 226 O ILE A 30 -8.297 9.712 1.946 1.00 0.00 O ATOM 227 CB ILE A 30 -8.663 10.068 5.458 1.00 0.00 C ATOM 228 CG1 ILE A 30 -9.750 10.890 6.146 1.00 0.00 C ATOM 229 CG2 ILE A 30 -7.471 9.890 6.384 1.00 0.00 C ATOM 230 CD1 ILE A 30 -10.835 10.039 6.753 1.00 0.00 C ATOM 0 H ILE A 30 -7.778 12.691 4.685 1.00 0.00 H new ATOM 0 HA ILE A 30 -7.146 10.606 4.002 1.00 0.00 H new ATOM 0 HB ILE A 30 -9.078 9.087 5.226 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -9.297 11.502 6.926 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -10.194 11.574 5.422 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -7.800 9.430 7.316 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -6.730 9.250 5.905 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -7.027 10.863 6.597 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -11.578 10.680 7.227 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -11.312 9.446 5.972 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -10.401 9.374 7.499 1.00 0.00 H new ATOM 242 N LEU A 31 -10.197 9.716 3.149 1.00 0.00 N ATOM 243 CA LEU A 31 -10.992 9.027 2.137 1.00 0.00 C ATOM 244 C LEU A 31 -12.415 8.828 2.642 1.00 0.00 C ATOM 245 O LEU A 31 -13.383 9.008 1.903 1.00 0.00 O ATOM 246 CB LEU A 31 -10.365 7.671 1.799 1.00 0.00 C ATOM 247 CG LEU A 31 -10.979 6.956 0.594 1.00 0.00 C ATOM 248 CD1 LEU A 31 -10.482 7.575 -0.703 1.00 0.00 C ATOM 249 CD2 LEU A 31 -10.652 5.470 0.637 1.00 0.00 C ATOM 0 H LEU A 31 -10.715 9.953 3.995 1.00 0.00 H new ATOM 0 HA LEU A 31 -11.014 9.638 1.234 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -9.301 7.816 1.613 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -10.450 7.021 2.670 1.00 0.00 H new ATOM 0 HG LEU A 31 -12.062 7.073 0.636 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -10.929 7.054 -1.550 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -10.763 8.628 -0.735 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -9.397 7.488 -0.755 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -11.096 4.975 -0.227 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -9.571 5.335 0.617 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -11.055 5.035 1.551 1.00 0.00 H new ATOM 261 N GLY A 32 -12.525 8.471 3.916 1.00 0.00 N ATOM 262 CA GLY A 32 -13.826 8.265 4.527 1.00 0.00 C ATOM 263 C GLY A 32 -14.382 6.869 4.316 1.00 0.00 C ATOM 264 O GLY A 32 -15.438 6.705 3.709 1.00 0.00 O ATOM 0 H GLY A 32 -11.733 8.320 4.540 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -13.750 8.459 5.597 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -14.529 8.992 4.120 1.00 0.00 H new ATOM 268 N VAL A 33 -13.686 5.860 4.836 1.00 0.00 N ATOM 269 CA VAL A 33 -14.150 4.480 4.708 1.00 0.00 C ATOM 270 C VAL A 33 -13.698 3.628 5.890 1.00 0.00 C ATOM 271 O VAL A 33 -12.704 3.935 6.549 1.00 0.00 O ATOM 272 CB VAL A 33 -13.702 3.817 3.375 1.00 0.00 C ATOM 273 CG1 VAL A 33 -13.464 4.869 2.300 1.00 0.00 C ATOM 274 CG2 VAL A 33 -12.460 2.949 3.556 1.00 0.00 C ATOM 0 H VAL A 33 -12.809 5.969 5.344 1.00 0.00 H new ATOM 0 HA VAL A 33 -15.239 4.529 4.702 1.00 0.00 H new ATOM 0 HB VAL A 33 -14.514 3.164 3.054 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -13.151 4.381 1.377 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -14.386 5.424 2.123 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -12.684 5.556 2.629 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -12.183 2.506 2.599 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -11.638 3.563 3.923 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -12.671 2.157 4.275 1.00 0.00 H new ATOM 284 N VAL A 34 -14.433 2.553 6.145 1.00 0.00 N ATOM 285 CA VAL A 34 -14.109 1.645 7.238 1.00 0.00 C ATOM 286 C VAL A 34 -13.932 0.224 6.725 1.00 0.00 C ATOM 287 O VAL A 34 -14.867 -0.387 6.209 1.00 0.00 O ATOM 288 CB VAL A 34 -15.194 1.655 8.328 1.00 0.00 C ATOM 289 CG1 VAL A 34 -14.759 0.817 9.521 1.00 0.00 C ATOM 290 CG2 VAL A 34 -15.508 3.081 8.757 1.00 0.00 C ATOM 0 H VAL A 34 -15.259 2.288 5.609 1.00 0.00 H new ATOM 0 HA VAL A 34 -13.174 1.996 7.674 1.00 0.00 H new ATOM 0 HB VAL A 34 -16.102 1.216 7.915 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -15.539 0.836 10.282 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -14.589 -0.211 9.201 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -13.837 1.225 9.936 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -16.278 3.068 9.529 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -14.606 3.549 9.152 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -15.865 3.649 7.898 1.00 0.00 H new ATOM 300 N ILE A 35 -12.719 -0.292 6.870 1.00 0.00 N ATOM 301 CA ILE A 35 -12.397 -1.633 6.424 1.00 0.00 C ATOM 302 C ILE A 35 -12.299 -2.598 7.600 1.00 0.00 C ATOM 303 O ILE A 35 -11.875 -2.222 8.691 1.00 0.00 O ATOM 304 CB ILE A 35 -11.074 -1.650 5.646 1.00 0.00 C ATOM 305 CG1 ILE A 35 -9.990 -0.894 6.414 1.00 0.00 C ATOM 306 CG2 ILE A 35 -11.263 -1.059 4.259 1.00 0.00 C ATOM 307 CD1 ILE A 35 -8.668 -1.622 6.444 1.00 0.00 C ATOM 0 H ILE A 35 -11.938 0.206 7.297 1.00 0.00 H new ATOM 0 HA ILE A 35 -13.205 -1.956 5.767 1.00 0.00 H new ATOM 0 HB ILE A 35 -10.753 -2.686 5.534 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -9.848 0.086 5.959 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -10.328 -0.725 7.436 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -10.314 -1.079 3.722 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -12.002 -1.644 3.712 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -11.608 -0.029 4.346 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -7.941 -1.033 7.004 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -8.797 -2.592 6.925 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -8.309 -1.767 5.425 1.00 0.00 H new ATOM 319 N VAL A 36 -12.697 -3.846 7.369 1.00 0.00 N ATOM 320 CA VAL A 36 -12.656 -4.865 8.409 1.00 0.00 C ATOM 321 C VAL A 36 -12.092 -6.178 7.875 1.00 0.00 C ATOM 322 O VAL A 36 -11.956 -6.359 6.667 1.00 0.00 O ATOM 323 CB VAL A 36 -14.057 -5.123 8.996 1.00 0.00 C ATOM 324 CG1 VAL A 36 -14.590 -3.872 9.676 1.00 0.00 C ATOM 325 CG2 VAL A 36 -15.012 -5.598 7.912 1.00 0.00 C ATOM 0 H VAL A 36 -13.051 -4.174 6.471 1.00 0.00 H new ATOM 0 HA VAL A 36 -12.003 -4.487 9.195 1.00 0.00 H new ATOM 0 HB VAL A 36 -13.977 -5.910 9.746 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -15.580 -4.074 10.084 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -13.917 -3.582 10.483 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -14.655 -3.062 8.949 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -15.996 -5.775 8.346 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -15.089 -4.837 7.136 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -14.636 -6.524 7.476 1.00 0.00 H new ATOM 335 N GLU A 37 -11.765 -7.091 8.784 1.00 0.00 N ATOM 336 CA GLU A 37 -11.218 -8.390 8.402 1.00 0.00 C ATOM 337 C GLU A 37 -12.157 -9.112 7.439 1.00 0.00 C ATOM 338 O GLU A 37 -13.360 -9.203 7.679 1.00 0.00 O ATOM 339 CB GLU A 37 -10.969 -9.250 9.642 1.00 0.00 C ATOM 340 CG GLU A 37 -9.514 -9.270 10.080 1.00 0.00 C ATOM 341 CD GLU A 37 -9.128 -10.564 10.768 1.00 0.00 C ATOM 342 OE1 GLU A 37 -9.570 -11.637 10.305 1.00 0.00 O ATOM 343 OE2 GLU A 37 -8.383 -10.506 11.768 1.00 0.00 O ATOM 0 H GLU A 37 -11.869 -6.956 9.790 1.00 0.00 H new ATOM 0 HA GLU A 37 -10.268 -8.223 7.895 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -11.583 -8.878 10.462 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -11.294 -10.270 9.439 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -8.875 -9.121 9.210 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -9.331 -8.435 10.756 1.00 0.00 H new ATOM 350 N SER A 38 -11.594 -9.611 6.346 1.00 0.00 N ATOM 351 CA SER A 38 -12.374 -10.314 5.334 1.00 0.00 C ATOM 352 C SER A 38 -12.775 -11.710 5.805 1.00 0.00 C ATOM 353 O SER A 38 -12.110 -12.697 5.499 1.00 0.00 O ATOM 354 CB SER A 38 -11.576 -10.408 4.033 1.00 0.00 C ATOM 355 OG SER A 38 -10.557 -11.388 4.124 1.00 0.00 O ATOM 0 H SER A 38 -10.598 -9.542 6.137 1.00 0.00 H new ATOM 0 HA SER A 38 -13.288 -9.746 5.160 1.00 0.00 H new ATOM 0 HB2 SER A 38 -12.247 -10.653 3.209 1.00 0.00 H new ATOM 0 HB3 SER A 38 -11.132 -9.439 3.805 1.00 0.00 H new ATOM 0 HG SER A 38 -10.939 -12.228 4.454 1.00 0.00 H new ATOM 361 N GLY A 39 -13.875 -11.778 6.547 1.00 0.00 N ATOM 362 CA GLY A 39 -14.357 -13.058 7.044 1.00 0.00 C ATOM 363 C GLY A 39 -15.179 -13.816 6.021 1.00 0.00 C ATOM 364 O GLY A 39 -15.543 -14.971 6.243 1.00 0.00 O ATOM 0 H GLY A 39 -14.442 -10.973 6.814 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -13.506 -13.669 7.344 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -14.960 -12.892 7.936 1.00 0.00 H new ATOM 368 N TRP A 40 -15.461 -13.171 4.893 1.00 0.00 N ATOM 369 CA TRP A 40 -16.228 -13.789 3.816 1.00 0.00 C ATOM 370 C TRP A 40 -15.575 -15.105 3.387 1.00 0.00 C ATOM 371 O TRP A 40 -14.734 -15.650 4.099 1.00 0.00 O ATOM 372 CB TRP A 40 -16.290 -12.831 2.628 1.00 0.00 C ATOM 373 CG TRP A 40 -14.942 -12.564 2.031 1.00 0.00 C ATOM 374 CD1 TRP A 40 -13.735 -12.636 2.668 1.00 0.00 C ATOM 375 CD2 TRP A 40 -14.656 -12.186 0.680 1.00 0.00 C ATOM 376 NE1 TRP A 40 -12.723 -12.335 1.796 1.00 0.00 N ATOM 377 CE2 TRP A 40 -13.260 -12.052 0.573 1.00 0.00 C ATOM 378 CE3 TRP A 40 -15.443 -11.948 -0.449 1.00 0.00 C ATOM 379 CZ2 TRP A 40 -12.635 -11.695 -0.612 1.00 0.00 C ATOM 380 CZ3 TRP A 40 -14.820 -11.590 -1.629 1.00 0.00 C ATOM 381 CH2 TRP A 40 -13.428 -11.466 -1.704 1.00 0.00 C ATOM 0 H TRP A 40 -15.167 -12.213 4.700 1.00 0.00 H new ATOM 0 HA TRP A 40 -17.237 -14.000 4.170 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -16.945 -13.248 1.864 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -16.734 -11.889 2.949 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -13.599 -12.893 3.708 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -11.729 -12.324 2.023 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -16.518 -12.042 -0.401 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -11.561 -11.601 -0.671 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -15.418 -11.403 -2.509 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -12.971 -11.184 -2.641 1.00 0.00 H new ATOM 392 N GLY A 41 -15.946 -15.602 2.208 1.00 0.00 N ATOM 393 CA GLY A 41 -15.355 -16.835 1.715 1.00 0.00 C ATOM 394 C GLY A 41 -13.840 -16.808 1.802 1.00 0.00 C ATOM 395 O GLY A 41 -13.195 -17.851 1.906 1.00 0.00 O ATOM 0 H GLY A 41 -16.638 -15.177 1.591 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -15.737 -17.677 2.292 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -15.657 -16.994 0.680 1.00 0.00 H new ATOM 399 N SER A 42 -13.280 -15.598 1.762 1.00 0.00 N ATOM 400 CA SER A 42 -11.837 -15.390 1.841 1.00 0.00 C ATOM 401 C SER A 42 -11.180 -15.641 0.506 1.00 0.00 C ATOM 402 O SER A 42 -10.198 -16.375 0.394 1.00 0.00 O ATOM 403 CB SER A 42 -11.202 -16.245 2.929 1.00 0.00 C ATOM 404 OG SER A 42 -10.855 -17.533 2.447 1.00 0.00 O ATOM 0 H SER A 42 -13.817 -14.735 1.674 1.00 0.00 H new ATOM 0 HA SER A 42 -11.674 -14.346 2.110 1.00 0.00 H new ATOM 0 HB2 SER A 42 -10.311 -15.747 3.310 1.00 0.00 H new ATOM 0 HB3 SER A 42 -11.894 -16.343 3.765 1.00 0.00 H new ATOM 0 HG SER A 42 -11.548 -17.849 1.830 1.00 0.00 H new ATOM 410 N ILE A 43 -11.722 -14.989 -0.497 1.00 0.00 N ATOM 411 CA ILE A 43 -11.206 -15.079 -1.842 1.00 0.00 C ATOM 412 C ILE A 43 -9.770 -14.567 -1.879 1.00 0.00 C ATOM 413 O ILE A 43 -8.895 -15.160 -2.512 1.00 0.00 O ATOM 414 CB ILE A 43 -12.083 -14.260 -2.784 1.00 0.00 C ATOM 415 CG1 ILE A 43 -13.519 -14.772 -2.732 1.00 0.00 C ATOM 416 CG2 ILE A 43 -11.544 -14.313 -4.192 1.00 0.00 C ATOM 417 CD1 ILE A 43 -14.490 -13.909 -3.494 1.00 0.00 C ATOM 0 H ILE A 43 -12.535 -14.380 -0.402 1.00 0.00 H new ATOM 0 HA ILE A 43 -11.216 -16.120 -2.165 1.00 0.00 H new ATOM 0 HB ILE A 43 -12.072 -13.219 -2.461 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -13.551 -15.784 -3.135 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -13.838 -14.833 -1.691 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -12.183 -13.723 -4.849 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -10.532 -13.907 -4.210 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -11.526 -15.347 -4.536 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -15.492 -14.331 -3.415 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -14.487 -12.902 -3.077 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -14.195 -13.868 -4.543 1.00 0.00 H new ATOM 429 N LEU A 44 -9.545 -13.471 -1.164 1.00 0.00 N ATOM 430 CA LEU A 44 -8.228 -12.855 -1.056 1.00 0.00 C ATOM 431 C LEU A 44 -8.102 -12.181 0.308 1.00 0.00 C ATOM 432 O LEU A 44 -8.307 -10.977 0.433 1.00 0.00 O ATOM 433 CB LEU A 44 -7.999 -11.819 -2.163 1.00 0.00 C ATOM 434 CG LEU A 44 -8.649 -12.127 -3.517 1.00 0.00 C ATOM 435 CD1 LEU A 44 -9.963 -11.376 -3.663 1.00 0.00 C ATOM 436 CD2 LEU A 44 -7.702 -11.772 -4.651 1.00 0.00 C ATOM 0 H LEU A 44 -10.273 -12.983 -0.641 1.00 0.00 H new ATOM 0 HA LEU A 44 -7.474 -13.635 -1.165 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -8.371 -10.856 -1.814 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -6.925 -11.710 -2.314 1.00 0.00 H new ATOM 0 HG LEU A 44 -8.860 -13.195 -3.564 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -10.409 -11.608 -4.630 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -10.645 -11.677 -2.868 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -9.779 -10.304 -3.596 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -8.178 -11.996 -5.606 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -7.462 -10.710 -4.606 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -6.786 -12.355 -4.556 1.00 0.00 H new ATOM 448 N PRO A 45 -7.783 -12.961 1.357 1.00 0.00 N ATOM 449 CA PRO A 45 -7.651 -12.460 2.728 1.00 0.00 C ATOM 450 C PRO A 45 -7.067 -11.050 2.825 1.00 0.00 C ATOM 451 O PRO A 45 -5.854 -10.879 2.929 1.00 0.00 O ATOM 452 CB PRO A 45 -6.701 -13.477 3.350 1.00 0.00 C ATOM 453 CG PRO A 45 -7.035 -14.765 2.674 1.00 0.00 C ATOM 454 CD PRO A 45 -7.542 -14.416 1.293 1.00 0.00 C ATOM 0 HA PRO A 45 -8.620 -12.368 3.219 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -5.660 -13.200 3.184 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -6.845 -13.546 4.428 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -6.157 -15.408 2.612 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -7.792 -15.312 3.237 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -6.810 -14.666 0.525 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -8.455 -14.961 1.053 1.00 0.00 H new ATOM 462 N THR A 46 -7.943 -10.041 2.815 1.00 0.00 N ATOM 463 CA THR A 46 -7.504 -8.653 2.926 1.00 0.00 C ATOM 464 C THR A 46 -8.398 -7.865 3.894 1.00 0.00 C ATOM 465 O THR A 46 -8.191 -7.912 5.106 1.00 0.00 O ATOM 466 CB THR A 46 -7.460 -7.979 1.549 1.00 0.00 C ATOM 467 OG1 THR A 46 -7.455 -6.570 1.688 1.00 0.00 O ATOM 468 CG2 THR A 46 -8.620 -8.350 0.650 1.00 0.00 C ATOM 0 H THR A 46 -8.952 -10.161 2.732 1.00 0.00 H new ATOM 0 HA THR A 46 -6.493 -8.655 3.332 1.00 0.00 H new ATOM 0 HB THR A 46 -6.543 -8.339 1.083 1.00 0.00 H new ATOM 0 HG1 THR A 46 -8.109 -6.178 1.073 1.00 0.00 H new ATOM 0 HG21 THR A 46 -8.519 -7.835 -0.305 1.00 0.00 H new ATOM 0 HG22 THR A 46 -8.621 -9.427 0.483 1.00 0.00 H new ATOM 0 HG23 THR A 46 -9.556 -8.056 1.124 1.00 0.00 H new ATOM 476 N VAL A 47 -9.390 -7.146 3.365 1.00 0.00 N ATOM 477 CA VAL A 47 -10.296 -6.362 4.201 1.00 0.00 C ATOM 478 C VAL A 47 -11.630 -6.127 3.494 1.00 0.00 C ATOM 479 O VAL A 47 -11.759 -6.379 2.297 1.00 0.00 O ATOM 480 CB VAL A 47 -9.687 -5.000 4.586 1.00 0.00 C ATOM 481 CG1 VAL A 47 -8.854 -5.124 5.853 1.00 0.00 C ATOM 482 CG2 VAL A 47 -8.855 -4.433 3.446 1.00 0.00 C ATOM 0 H VAL A 47 -9.585 -7.091 2.365 1.00 0.00 H new ATOM 0 HA VAL A 47 -10.461 -6.942 5.109 1.00 0.00 H new ATOM 0 HB VAL A 47 -10.505 -4.307 4.781 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -8.433 -4.152 6.108 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -9.485 -5.472 6.671 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -8.046 -5.838 5.689 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -8.437 -3.472 3.744 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -8.045 -5.123 3.208 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -9.486 -4.298 2.567 1.00 0.00 H new ATOM 492 N ILE A 48 -12.621 -5.650 4.244 1.00 0.00 N ATOM 493 CA ILE A 48 -13.947 -5.393 3.682 1.00 0.00 C ATOM 494 C ILE A 48 -14.466 -4.010 4.052 1.00 0.00 C ATOM 495 O ILE A 48 -14.515 -3.652 5.228 1.00 0.00 O ATOM 496 CB ILE A 48 -14.995 -6.426 4.164 1.00 0.00 C ATOM 497 CG1 ILE A 48 -14.351 -7.538 4.987 1.00 0.00 C ATOM 498 CG2 ILE A 48 -15.743 -7.010 2.982 1.00 0.00 C ATOM 499 CD1 ILE A 48 -15.357 -8.513 5.562 1.00 0.00 C ATOM 0 H ILE A 48 -12.533 -5.434 5.237 1.00 0.00 H new ATOM 0 HA ILE A 48 -13.819 -5.468 2.602 1.00 0.00 H new ATOM 0 HB ILE A 48 -15.702 -5.904 4.809 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -13.644 -8.082 4.361 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -13.779 -7.094 5.801 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -16.476 -7.734 3.337 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -16.253 -6.211 2.444 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -15.038 -7.505 2.314 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -14.835 -9.279 6.136 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -16.049 -7.980 6.214 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -15.912 -8.984 4.751 1.00 0.00 H new ATOM 511 N ILE A 49 -14.900 -3.253 3.049 1.00 0.00 N ATOM 512 CA ILE A 49 -15.460 -1.944 3.286 1.00 0.00 C ATOM 513 C ILE A 49 -16.777 -2.099 4.015 1.00 0.00 C ATOM 514 O ILE A 49 -17.834 -2.253 3.405 1.00 0.00 O ATOM 515 CB ILE A 49 -15.668 -1.194 1.968 1.00 0.00 C ATOM 516 CG1 ILE A 49 -14.346 -1.118 1.215 1.00 0.00 C ATOM 517 CG2 ILE A 49 -16.228 0.191 2.223 1.00 0.00 C ATOM 518 CD1 ILE A 49 -14.444 -0.383 -0.097 1.00 0.00 C ATOM 0 H ILE A 49 -14.871 -3.531 2.068 1.00 0.00 H new ATOM 0 HA ILE A 49 -14.768 -1.362 3.895 1.00 0.00 H new ATOM 0 HB ILE A 49 -16.392 -1.734 1.358 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -13.606 -0.624 1.845 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -13.983 -2.129 1.030 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -16.368 0.707 1.273 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -17.186 0.107 2.736 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -15.533 0.756 2.844 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -13.467 -0.367 -0.579 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -15.160 -0.889 -0.745 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -14.776 0.639 0.083 1.00 0.00 H new ATOM 530 N ALA A 50 -16.687 -2.096 5.330 1.00 0.00 N ATOM 531 CA ALA A 50 -17.842 -2.275 6.182 1.00 0.00 C ATOM 532 C ALA A 50 -18.546 -0.956 6.481 1.00 0.00 C ATOM 533 O ALA A 50 -19.637 -0.946 7.052 1.00 0.00 O ATOM 534 CB ALA A 50 -17.403 -2.957 7.462 1.00 0.00 C ATOM 0 H ALA A 50 -15.811 -1.969 5.836 1.00 0.00 H new ATOM 0 HA ALA A 50 -18.567 -2.899 5.659 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -18.265 -3.098 8.114 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -16.965 -3.927 7.226 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -16.663 -2.338 7.969 1.00 0.00 H new ATOM 540 N ASN A 51 -17.928 0.155 6.095 1.00 0.00 N ATOM 541 CA ASN A 51 -18.526 1.462 6.332 1.00 0.00 C ATOM 542 C ASN A 51 -17.895 2.532 5.446 1.00 0.00 C ATOM 543 O ASN A 51 -16.788 2.360 4.934 1.00 0.00 O ATOM 544 CB ASN A 51 -18.383 1.847 7.805 1.00 0.00 C ATOM 545 CG ASN A 51 -19.717 2.165 8.454 1.00 0.00 C ATOM 546 OD1 ASN A 51 -20.706 2.430 7.772 1.00 0.00 O ATOM 547 ND2 ASN A 51 -19.746 2.140 9.782 1.00 0.00 N ATOM 0 H ASN A 51 -17.024 0.177 5.622 1.00 0.00 H new ATOM 0 HA ASN A 51 -19.584 1.398 6.078 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -17.905 1.030 8.346 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -17.726 2.713 7.889 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -20.614 2.346 10.277 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -18.901 1.915 10.306 1.00 0.00 H new ATOM 554 N MET A 52 -18.614 3.636 5.269 1.00 0.00 N ATOM 555 CA MET A 52 -18.138 4.740 4.444 1.00 0.00 C ATOM 556 C MET A 52 -18.728 6.065 4.920 1.00 0.00 C ATOM 557 O MET A 52 -19.848 6.112 5.427 1.00 0.00 O ATOM 558 CB MET A 52 -18.502 4.501 2.980 1.00 0.00 C ATOM 559 CG MET A 52 -17.774 5.418 2.010 1.00 0.00 C ATOM 560 SD MET A 52 -18.501 5.402 0.358 1.00 0.00 S ATOM 561 CE MET A 52 -18.944 3.673 0.195 1.00 0.00 C ATOM 0 H MET A 52 -19.531 3.790 5.688 1.00 0.00 H new ATOM 0 HA MET A 52 -17.053 4.792 4.536 1.00 0.00 H new ATOM 0 HB2 MET A 52 -18.278 3.465 2.724 1.00 0.00 H new ATOM 0 HB3 MET A 52 -19.577 4.635 2.856 1.00 0.00 H new ATOM 0 HG2 MET A 52 -17.788 6.436 2.399 1.00 0.00 H new ATOM 0 HG3 MET A 52 -16.729 5.116 1.946 1.00 0.00 H new ATOM 0 HE1 MET A 52 -19.102 3.436 -0.857 1.00 0.00 H new ATOM 0 HE2 MET A 52 -18.140 3.052 0.590 1.00 0.00 H new ATOM 0 HE3 MET A 52 -19.860 3.478 0.753 1.00 0.00 H new ATOM 571 N MET A 53 -17.961 7.141 4.758 1.00 0.00 N ATOM 572 CA MET A 53 -18.405 8.468 5.174 1.00 0.00 C ATOM 573 C MET A 53 -19.732 8.837 4.517 1.00 0.00 C ATOM 574 O MET A 53 -20.468 9.688 5.018 1.00 0.00 O ATOM 575 CB MET A 53 -17.342 9.515 4.829 1.00 0.00 C ATOM 576 CG MET A 53 -16.358 9.779 5.958 1.00 0.00 C ATOM 577 SD MET A 53 -15.360 11.255 5.682 1.00 0.00 S ATOM 578 CE MET A 53 -13.793 10.745 6.384 1.00 0.00 C ATOM 0 H MET A 53 -17.030 7.119 4.342 1.00 0.00 H new ATOM 0 HA MET A 53 -18.553 8.449 6.254 1.00 0.00 H new ATOM 0 HB2 MET A 53 -16.791 9.185 3.948 1.00 0.00 H new ATOM 0 HB3 MET A 53 -17.837 10.449 4.564 1.00 0.00 H new ATOM 0 HG2 MET A 53 -16.906 9.886 6.894 1.00 0.00 H new ATOM 0 HG3 MET A 53 -15.701 8.917 6.070 1.00 0.00 H new ATOM 0 HE1 MET A 53 -13.420 11.526 7.047 1.00 0.00 H new ATOM 0 HE2 MET A 53 -13.931 9.824 6.950 1.00 0.00 H new ATOM 0 HE3 MET A 53 -13.074 10.575 5.583 1.00 0.00 H new ATOM 588 N HIS A 54 -20.035 8.194 3.392 1.00 0.00 N ATOM 589 CA HIS A 54 -21.274 8.460 2.672 1.00 0.00 C ATOM 590 C HIS A 54 -21.334 9.915 2.217 1.00 0.00 C ATOM 591 O HIS A 54 -22.344 10.595 2.398 1.00 0.00 O ATOM 592 CB HIS A 54 -22.483 8.137 3.554 1.00 0.00 C ATOM 593 CG HIS A 54 -22.811 6.677 3.607 1.00 0.00 C ATOM 594 ND1 HIS A 54 -22.476 5.868 4.673 1.00 0.00 N ATOM 595 CD2 HIS A 54 -23.449 5.879 2.718 1.00 0.00 C ATOM 596 CE1 HIS A 54 -22.893 4.637 4.438 1.00 0.00 C ATOM 597 NE2 HIS A 54 -23.487 4.617 3.259 1.00 0.00 N ATOM 0 H HIS A 54 -19.440 7.487 2.961 1.00 0.00 H new ATOM 0 HA HIS A 54 -21.298 7.820 1.790 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -22.291 8.495 4.565 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -23.350 8.683 3.182 1.00 0.00 H new ATOM 0 HD1 HIS A 54 -21.983 6.173 5.512 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -23.853 6.179 1.762 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -22.769 3.791 5.098 1.00 0.00 H new ATOM 606 N GLY A 55 -20.241 10.386 1.626 1.00 0.00 N ATOM 607 CA GLY A 55 -20.184 11.755 1.154 1.00 0.00 C ATOM 608 C GLY A 55 -18.783 12.160 0.746 1.00 0.00 C ATOM 609 O GLY A 55 -18.601 12.935 -0.195 1.00 0.00 O ATOM 0 H GLY A 55 -19.393 9.842 1.466 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -20.857 11.873 0.305 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -20.540 12.423 1.938 1.00 0.00 H new ATOM 613 N GLY A 56 -17.790 11.631 1.453 1.00 0.00 N ATOM 614 CA GLY A 56 -16.410 11.949 1.143 1.00 0.00 C ATOM 615 C GLY A 56 -16.024 11.512 -0.258 1.00 0.00 C ATOM 616 O GLY A 56 -16.882 11.104 -1.040 1.00 0.00 O ATOM 0 H GLY A 56 -17.917 10.988 2.235 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -16.255 13.023 1.243 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -15.755 11.464 1.867 1.00 0.00 H new ATOM 620 N PRO A 57 -14.729 11.583 -0.607 1.00 0.00 N ATOM 621 CA PRO A 57 -14.250 11.186 -1.933 1.00 0.00 C ATOM 622 C PRO A 57 -14.674 9.769 -2.304 1.00 0.00 C ATOM 623 O PRO A 57 -14.772 9.431 -3.482 1.00 0.00 O ATOM 624 CB PRO A 57 -12.727 11.270 -1.804 1.00 0.00 C ATOM 625 CG PRO A 57 -12.490 12.237 -0.697 1.00 0.00 C ATOM 626 CD PRO A 57 -13.635 12.057 0.260 1.00 0.00 C ATOM 0 HA PRO A 57 -14.660 11.821 -2.718 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -12.295 10.295 -1.577 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -12.270 11.612 -2.732 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -11.536 12.043 -0.206 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -12.452 13.259 -1.073 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -13.398 11.334 1.040 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -13.893 12.991 0.759 1.00 0.00 H new ATOM 634 N ALA A 58 -14.925 8.944 -1.291 1.00 0.00 N ATOM 635 CA ALA A 58 -15.337 7.569 -1.519 1.00 0.00 C ATOM 636 C ALA A 58 -16.690 7.514 -2.216 1.00 0.00 C ATOM 637 O ALA A 58 -16.858 6.823 -3.220 1.00 0.00 O ATOM 638 CB ALA A 58 -15.386 6.807 -0.203 1.00 0.00 C ATOM 0 H ALA A 58 -14.850 9.206 -0.308 1.00 0.00 H new ATOM 0 HA ALA A 58 -14.602 7.097 -2.170 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -15.696 5.779 -0.389 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -14.398 6.810 0.256 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -16.100 7.285 0.468 1.00 0.00 H new ATOM 644 N GLU A 59 -17.652 8.256 -1.677 1.00 0.00 N ATOM 645 CA GLU A 59 -18.992 8.302 -2.248 1.00 0.00 C ATOM 646 C GLU A 59 -19.023 9.202 -3.480 1.00 0.00 C ATOM 647 O GLU A 59 -19.688 8.896 -4.469 1.00 0.00 O ATOM 648 CB GLU A 59 -19.995 8.807 -1.207 1.00 0.00 C ATOM 649 CG GLU A 59 -21.395 8.244 -1.389 1.00 0.00 C ATOM 650 CD GLU A 59 -22.392 9.293 -1.841 1.00 0.00 C ATOM 651 OE1 GLU A 59 -22.091 10.019 -2.812 1.00 0.00 O ATOM 652 OE2 GLU A 59 -23.473 9.389 -1.223 1.00 0.00 O ATOM 0 H GLU A 59 -17.528 8.834 -0.845 1.00 0.00 H new ATOM 0 HA GLU A 59 -19.270 7.292 -2.549 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -19.635 8.548 -0.212 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -20.041 9.895 -1.256 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -21.366 7.437 -2.121 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -21.733 7.809 -0.448 1.00 0.00 H new ATOM 659 N LYS A 60 -18.300 10.317 -3.407 1.00 0.00 N ATOM 660 CA LYS A 60 -18.241 11.271 -4.506 1.00 0.00 C ATOM 661 C LYS A 60 -17.845 10.592 -5.813 1.00 0.00 C ATOM 662 O LYS A 60 -18.470 10.807 -6.850 1.00 0.00 O ATOM 663 CB LYS A 60 -17.247 12.390 -4.181 1.00 0.00 C ATOM 664 CG LYS A 60 -17.745 13.357 -3.120 1.00 0.00 C ATOM 665 CD LYS A 60 -17.122 14.733 -3.285 1.00 0.00 C ATOM 666 CE LYS A 60 -17.479 15.650 -2.127 1.00 0.00 C ATOM 667 NZ LYS A 60 -17.730 17.046 -2.580 1.00 0.00 N ATOM 0 H LYS A 60 -17.745 10.581 -2.593 1.00 0.00 H new ATOM 0 HA LYS A 60 -19.237 11.695 -4.632 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -16.310 11.946 -3.845 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -17.027 12.946 -5.093 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -18.830 13.438 -3.181 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -17.509 12.966 -2.130 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -16.038 14.637 -3.353 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -17.462 15.177 -4.220 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -18.366 15.268 -1.621 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -16.669 15.645 -1.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -17.970 17.639 -1.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -16.876 17.421 -3.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -18.520 17.055 -3.257 1.00 0.00 H new ATOM 681 N SER A 61 -16.802 9.771 -5.756 1.00 0.00 N ATOM 682 CA SER A 61 -16.322 9.061 -6.936 1.00 0.00 C ATOM 683 C SER A 61 -17.287 7.951 -7.336 1.00 0.00 C ATOM 684 O SER A 61 -17.765 7.909 -8.469 1.00 0.00 O ATOM 685 CB SER A 61 -14.935 8.474 -6.675 1.00 0.00 C ATOM 686 OG SER A 61 -14.137 8.508 -7.846 1.00 0.00 O ATOM 0 H SER A 61 -16.273 9.581 -4.905 1.00 0.00 H new ATOM 0 HA SER A 61 -16.259 9.776 -7.756 1.00 0.00 H new ATOM 0 HB2 SER A 61 -14.443 9.035 -5.880 1.00 0.00 H new ATOM 0 HB3 SER A 61 -15.032 7.446 -6.327 1.00 0.00 H new ATOM 0 HG SER A 61 -13.191 8.439 -7.599 1.00 0.00 H new ATOM 692 N GLY A 62 -17.561 7.049 -6.402 1.00 0.00 N ATOM 693 CA GLY A 62 -18.460 5.945 -6.678 1.00 0.00 C ATOM 694 C GLY A 62 -17.713 4.647 -6.911 1.00 0.00 C ATOM 695 O GLY A 62 -18.298 3.564 -6.849 1.00 0.00 O ATOM 0 H GLY A 62 -17.176 7.062 -5.457 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -19.149 5.821 -5.843 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -19.062 6.179 -7.556 1.00 0.00 H new ATOM 699 N LYS A 63 -16.414 4.757 -7.175 1.00 0.00 N ATOM 700 CA LYS A 63 -15.577 3.588 -7.412 1.00 0.00 C ATOM 701 C LYS A 63 -15.634 2.634 -6.225 1.00 0.00 C ATOM 702 O LYS A 63 -15.493 1.421 -6.382 1.00 0.00 O ATOM 703 CB LYS A 63 -14.131 4.020 -7.664 1.00 0.00 C ATOM 704 CG LYS A 63 -13.984 5.065 -8.760 1.00 0.00 C ATOM 705 CD LYS A 63 -14.270 4.478 -10.131 1.00 0.00 C ATOM 706 CE LYS A 63 -13.166 3.531 -10.573 1.00 0.00 C ATOM 707 NZ LYS A 63 -13.168 3.324 -12.047 1.00 0.00 N ATOM 0 H LYS A 63 -15.918 5.647 -7.230 1.00 0.00 H new ATOM 0 HA LYS A 63 -15.955 3.068 -8.293 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -13.714 4.417 -6.738 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -13.541 3.143 -7.930 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -14.666 5.893 -8.568 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -12.974 5.473 -8.742 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -15.221 3.945 -10.109 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -14.373 5.283 -10.858 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -12.200 3.930 -10.264 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -13.289 2.571 -10.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -12.400 2.672 -12.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -14.080 2.919 -12.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -13.025 4.236 -12.526 1.00 0.00 H new ATOM 721 N LEU A 64 -15.840 3.190 -5.035 1.00 0.00 N ATOM 722 CA LEU A 64 -15.915 2.390 -3.819 1.00 0.00 C ATOM 723 C LEU A 64 -17.358 2.221 -3.361 1.00 0.00 C ATOM 724 O LEU A 64 -18.128 3.181 -3.325 1.00 0.00 O ATOM 725 CB LEU A 64 -15.091 3.034 -2.703 1.00 0.00 C ATOM 726 CG LEU A 64 -13.576 2.916 -2.867 1.00 0.00 C ATOM 727 CD1 LEU A 64 -12.862 3.443 -1.632 1.00 0.00 C ATOM 728 CD2 LEU A 64 -13.177 1.473 -3.139 1.00 0.00 C ATOM 0 H LEU A 64 -15.958 4.192 -4.888 1.00 0.00 H new ATOM 0 HA LEU A 64 -15.506 1.405 -4.044 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -15.353 4.090 -2.642 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -15.375 2.579 -1.754 1.00 0.00 H new ATOM 0 HG LEU A 64 -13.276 3.522 -3.722 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -11.784 3.351 -1.768 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -13.120 4.491 -1.482 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -13.169 2.865 -0.760 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -12.095 1.410 -3.253 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -13.491 0.845 -2.305 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -13.659 1.129 -4.054 1.00 0.00 H new ATOM 740 N ASN A 65 -17.710 0.994 -3.002 1.00 0.00 N ATOM 741 CA ASN A 65 -19.055 0.686 -2.534 1.00 0.00 C ATOM 742 C ASN A 65 -19.004 -0.372 -1.441 1.00 0.00 C ATOM 743 O ASN A 65 -18.384 -1.421 -1.615 1.00 0.00 O ATOM 744 CB ASN A 65 -19.928 0.199 -3.693 1.00 0.00 C ATOM 745 CG ASN A 65 -19.777 1.057 -4.934 1.00 0.00 C ATOM 746 OD1 ASN A 65 -20.163 2.226 -4.945 1.00 0.00 O ATOM 747 ND2 ASN A 65 -19.213 0.479 -5.988 1.00 0.00 N ATOM 0 H ASN A 65 -17.080 0.192 -3.026 1.00 0.00 H new ATOM 0 HA ASN A 65 -19.493 1.596 -2.125 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -19.666 -0.831 -3.933 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -20.972 0.197 -3.381 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -19.085 1.007 -6.851 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -18.908 -0.493 -5.934 1.00 0.00 H new ATOM 754 N ILE A 66 -19.646 -0.091 -0.310 1.00 0.00 N ATOM 755 CA ILE A 66 -19.662 -1.019 0.809 1.00 0.00 C ATOM 756 C ILE A 66 -19.915 -2.453 0.355 1.00 0.00 C ATOM 757 O ILE A 66 -20.685 -2.700 -0.572 1.00 0.00 O ATOM 758 CB ILE A 66 -20.716 -0.598 1.842 1.00 0.00 C ATOM 759 CG1 ILE A 66 -20.304 0.737 2.444 1.00 0.00 C ATOM 760 CG2 ILE A 66 -20.877 -1.655 2.928 1.00 0.00 C ATOM 761 CD1 ILE A 66 -19.056 0.658 3.289 1.00 0.00 C ATOM 0 H ILE A 66 -20.162 0.774 -0.148 1.00 0.00 H new ATOM 0 HA ILE A 66 -18.675 -0.987 1.271 1.00 0.00 H new ATOM 0 HB ILE A 66 -21.682 -0.496 1.348 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -20.144 1.455 1.640 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -21.122 1.119 3.054 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -21.630 -1.328 3.645 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -21.190 -2.596 2.476 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -19.926 -1.798 3.441 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -18.822 1.646 3.685 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -19.219 -0.035 4.114 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -18.225 0.306 2.678 1.00 0.00 H new ATOM 773 N GLY A 67 -19.247 -3.389 1.016 1.00 0.00 N ATOM 774 CA GLY A 67 -19.393 -4.789 0.669 1.00 0.00 C ATOM 775 C GLY A 67 -18.370 -5.242 -0.356 1.00 0.00 C ATOM 776 O GLY A 67 -18.550 -6.273 -1.006 1.00 0.00 O ATOM 0 H GLY A 67 -18.606 -3.203 1.787 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -19.294 -5.396 1.569 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -20.396 -4.961 0.278 1.00 0.00 H new ATOM 780 N ASP A 68 -17.293 -4.472 -0.506 1.00 0.00 N ATOM 781 CA ASP A 68 -16.241 -4.805 -1.460 1.00 0.00 C ATOM 782 C ASP A 68 -14.953 -5.178 -0.735 1.00 0.00 C ATOM 783 O ASP A 68 -14.802 -4.910 0.457 1.00 0.00 O ATOM 784 CB ASP A 68 -15.987 -3.631 -2.405 1.00 0.00 C ATOM 785 CG ASP A 68 -17.208 -3.287 -3.238 1.00 0.00 C ATOM 786 OD1 ASP A 68 -18.087 -4.159 -3.390 1.00 0.00 O ATOM 787 OD2 ASP A 68 -17.283 -2.144 -3.733 1.00 0.00 O ATOM 0 H ASP A 68 -17.128 -3.615 0.021 1.00 0.00 H new ATOM 0 HA ASP A 68 -16.572 -5.664 -2.044 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -15.689 -2.758 -1.824 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -15.155 -3.873 -3.066 1.00 0.00 H new ATOM 792 N GLN A 69 -14.024 -5.796 -1.459 1.00 0.00 N ATOM 793 CA GLN A 69 -12.750 -6.201 -0.870 1.00 0.00 C ATOM 794 C GLN A 69 -11.580 -5.506 -1.557 1.00 0.00 C ATOM 795 O GLN A 69 -11.332 -5.714 -2.744 1.00 0.00 O ATOM 796 CB GLN A 69 -12.570 -7.716 -0.967 1.00 0.00 C ATOM 797 CG GLN A 69 -13.404 -8.496 0.032 1.00 0.00 C ATOM 798 CD GLN A 69 -12.593 -8.969 1.221 1.00 0.00 C ATOM 799 OE1 GLN A 69 -12.973 -8.751 2.371 1.00 0.00 O ATOM 800 NE2 GLN A 69 -11.469 -9.619 0.948 1.00 0.00 N ATOM 0 H GLN A 69 -14.127 -6.026 -2.447 1.00 0.00 H new ATOM 0 HA GLN A 69 -12.765 -5.906 0.179 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -12.830 -8.040 -1.975 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -11.518 -7.958 -0.816 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -14.225 -7.870 0.382 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -13.850 -9.357 -0.466 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -11.194 -9.777 -0.021 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -10.880 -9.961 1.708 1.00 0.00 H new ATOM 809 N ILE A 70 -10.858 -4.687 -0.801 1.00 0.00 N ATOM 810 CA ILE A 70 -9.705 -3.975 -1.337 1.00 0.00 C ATOM 811 C ILE A 70 -8.461 -4.848 -1.251 1.00 0.00 C ATOM 812 O ILE A 70 -8.303 -5.615 -0.305 1.00 0.00 O ATOM 813 CB ILE A 70 -9.458 -2.653 -0.586 1.00 0.00 C ATOM 814 CG1 ILE A 70 -10.752 -1.840 -0.513 1.00 0.00 C ATOM 815 CG2 ILE A 70 -8.355 -1.850 -1.263 1.00 0.00 C ATOM 816 CD1 ILE A 70 -10.923 -1.096 0.793 1.00 0.00 C ATOM 0 H ILE A 70 -11.050 -4.500 0.183 1.00 0.00 H new ATOM 0 HA ILE A 70 -9.918 -3.742 -2.380 1.00 0.00 H new ATOM 0 HB ILE A 70 -9.134 -2.883 0.429 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -10.769 -1.124 -1.335 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -11.601 -2.509 -0.655 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -8.195 -0.920 -0.718 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -7.433 -2.431 -1.268 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -8.647 -1.624 -2.289 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -11.861 -0.541 0.776 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -10.938 -1.808 1.618 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -10.093 -0.402 0.928 1.00 0.00 H new ATOM 828 N MET A 71 -7.588 -4.747 -2.245 1.00 0.00 N ATOM 829 CA MET A 71 -6.376 -5.555 -2.267 1.00 0.00 C ATOM 830 C MET A 71 -5.119 -4.712 -2.083 1.00 0.00 C ATOM 831 O MET A 71 -4.431 -4.829 -1.073 1.00 0.00 O ATOM 832 CB MET A 71 -6.294 -6.334 -3.578 1.00 0.00 C ATOM 833 CG MET A 71 -7.575 -7.078 -3.912 1.00 0.00 C ATOM 834 SD MET A 71 -7.699 -8.662 -3.061 1.00 0.00 S ATOM 835 CE MET A 71 -9.393 -8.611 -2.482 1.00 0.00 C ATOM 0 H MET A 71 -7.695 -4.118 -3.041 1.00 0.00 H new ATOM 0 HA MET A 71 -6.430 -6.249 -1.428 1.00 0.00 H new ATOM 0 HB2 MET A 71 -6.060 -5.644 -4.389 1.00 0.00 H new ATOM 0 HB3 MET A 71 -5.472 -7.047 -3.519 1.00 0.00 H new ATOM 0 HG2 MET A 71 -8.431 -6.458 -3.645 1.00 0.00 H new ATOM 0 HG3 MET A 71 -7.625 -7.243 -4.988 1.00 0.00 H new ATOM 0 HE1 MET A 71 -9.532 -9.356 -1.699 1.00 0.00 H new ATOM 0 HE2 MET A 71 -9.612 -7.620 -2.083 1.00 0.00 H new ATOM 0 HE3 MET A 71 -10.067 -8.825 -3.311 1.00 0.00 H new ATOM 845 N SER A 72 -4.812 -3.874 -3.067 1.00 0.00 N ATOM 846 CA SER A 72 -3.621 -3.036 -2.999 1.00 0.00 C ATOM 847 C SER A 72 -3.968 -1.555 -3.095 1.00 0.00 C ATOM 848 O SER A 72 -4.722 -1.138 -3.974 1.00 0.00 O ATOM 849 CB SER A 72 -2.644 -3.413 -4.116 1.00 0.00 C ATOM 850 OG SER A 72 -3.334 -3.926 -5.243 1.00 0.00 O ATOM 0 H SER A 72 -5.367 -3.757 -3.915 1.00 0.00 H new ATOM 0 HA SER A 72 -3.152 -3.210 -2.031 1.00 0.00 H new ATOM 0 HB2 SER A 72 -2.064 -2.537 -4.408 1.00 0.00 H new ATOM 0 HB3 SER A 72 -1.936 -4.156 -3.749 1.00 0.00 H new ATOM 0 HG SER A 72 -2.689 -4.158 -5.944 1.00 0.00 H new ATOM 856 N ILE A 73 -3.401 -0.765 -2.189 1.00 0.00 N ATOM 857 CA ILE A 73 -3.636 0.667 -2.166 1.00 0.00 C ATOM 858 C ILE A 73 -2.343 1.431 -2.444 1.00 0.00 C ATOM 859 O ILE A 73 -1.403 1.389 -1.651 1.00 0.00 O ATOM 860 CB ILE A 73 -4.207 1.113 -0.808 1.00 0.00 C ATOM 861 CG1 ILE A 73 -5.532 0.400 -0.530 1.00 0.00 C ATOM 862 CG2 ILE A 73 -4.396 2.620 -0.782 1.00 0.00 C ATOM 863 CD1 ILE A 73 -5.538 -0.360 0.778 1.00 0.00 C ATOM 0 H ILE A 73 -2.772 -1.099 -1.458 1.00 0.00 H new ATOM 0 HA ILE A 73 -4.363 0.891 -2.947 1.00 0.00 H new ATOM 0 HB ILE A 73 -3.498 0.842 -0.026 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -6.337 1.135 -0.519 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -5.743 -0.292 -1.346 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -4.800 2.919 0.185 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -3.435 3.110 -0.941 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -5.088 2.914 -1.571 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -6.506 -0.842 0.914 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -4.754 -1.117 0.762 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -5.358 0.331 1.601 1.00 0.00 H new ATOM 875 N ASN A 74 -2.304 2.129 -3.574 1.00 0.00 N ATOM 876 CA ASN A 74 -1.127 2.901 -3.956 1.00 0.00 C ATOM 877 C ASN A 74 0.108 2.009 -4.060 1.00 0.00 C ATOM 878 O ASN A 74 1.238 2.483 -3.939 1.00 0.00 O ATOM 879 CB ASN A 74 -0.875 4.017 -2.940 1.00 0.00 C ATOM 880 CG ASN A 74 -1.567 5.312 -3.319 1.00 0.00 C ATOM 881 OD1 ASN A 74 -1.809 5.578 -4.496 1.00 0.00 O ATOM 882 ND2 ASN A 74 -1.888 6.125 -2.319 1.00 0.00 N ATOM 0 H ASN A 74 -3.074 2.176 -4.241 1.00 0.00 H new ATOM 0 HA ASN A 74 -1.317 3.340 -4.936 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -1.223 3.696 -1.958 1.00 0.00 H new ATOM 0 HB3 ASN A 74 0.197 4.193 -2.856 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -2.355 7.011 -2.512 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -1.668 5.863 -1.358 1.00 0.00 H new ATOM 889 N GLY A 75 -0.112 0.717 -4.288 1.00 0.00 N ATOM 890 CA GLY A 75 0.997 -0.213 -4.406 1.00 0.00 C ATOM 891 C GLY A 75 1.082 -1.173 -3.235 1.00 0.00 C ATOM 892 O GLY A 75 1.448 -2.336 -3.404 1.00 0.00 O ATOM 0 H GLY A 75 -1.036 0.299 -4.393 1.00 0.00 H new ATOM 0 HA2 GLY A 75 0.892 -0.782 -5.330 1.00 0.00 H new ATOM 0 HA3 GLY A 75 1.929 0.347 -4.480 1.00 0.00 H new ATOM 896 N THR A 76 0.745 -0.687 -2.045 1.00 0.00 N ATOM 897 CA THR A 76 0.786 -1.512 -0.844 1.00 0.00 C ATOM 898 C THR A 76 -0.293 -2.588 -0.885 1.00 0.00 C ATOM 899 O THR A 76 -1.486 -2.285 -0.913 1.00 0.00 O ATOM 900 CB THR A 76 0.610 -0.646 0.400 1.00 0.00 C ATOM 901 OG1 THR A 76 1.345 0.559 0.282 1.00 0.00 O ATOM 902 CG2 THR A 76 1.052 -1.332 1.676 1.00 0.00 C ATOM 0 H THR A 76 0.441 0.274 -1.887 1.00 0.00 H new ATOM 0 HA THR A 76 1.759 -2.001 -0.803 1.00 0.00 H new ATOM 0 HB THR A 76 -0.460 -0.450 0.465 1.00 0.00 H new ATOM 0 HG1 THR A 76 1.217 1.100 1.089 1.00 0.00 H new ATOM 0 HG21 THR A 76 0.900 -0.661 2.521 1.00 0.00 H new ATOM 0 HG22 THR A 76 0.466 -2.239 1.823 1.00 0.00 H new ATOM 0 HG23 THR A 76 2.109 -1.590 1.603 1.00 0.00 H new ATOM 910 N SER A 77 0.132 -3.848 -0.894 1.00 0.00 N ATOM 911 CA SER A 77 -0.796 -4.971 -0.938 1.00 0.00 C ATOM 912 C SER A 77 -1.440 -5.207 0.425 1.00 0.00 C ATOM 913 O SER A 77 -0.871 -4.865 1.462 1.00 0.00 O ATOM 914 CB SER A 77 -0.073 -6.238 -1.398 1.00 0.00 C ATOM 915 OG SER A 77 -0.901 -7.021 -2.240 1.00 0.00 O ATOM 0 H SER A 77 1.116 -4.116 -0.871 1.00 0.00 H new ATOM 0 HA SER A 77 -1.583 -4.728 -1.651 1.00 0.00 H new ATOM 0 HB2 SER A 77 0.839 -5.967 -1.930 1.00 0.00 H new ATOM 0 HB3 SER A 77 0.227 -6.825 -0.530 1.00 0.00 H new ATOM 0 HG SER A 77 -0.415 -7.824 -2.522 1.00 0.00 H new ATOM 921 N LEU A 78 -2.632 -5.797 0.413 1.00 0.00 N ATOM 922 CA LEU A 78 -3.361 -6.087 1.643 1.00 0.00 C ATOM 923 C LEU A 78 -3.650 -7.580 1.767 1.00 0.00 C ATOM 924 O LEU A 78 -3.605 -8.143 2.861 1.00 0.00 O ATOM 925 CB LEU A 78 -4.679 -5.307 1.680 1.00 0.00 C ATOM 926 CG LEU A 78 -4.540 -3.786 1.649 1.00 0.00 C ATOM 927 CD1 LEU A 78 -5.900 -3.126 1.821 1.00 0.00 C ATOM 928 CD2 LEU A 78 -3.578 -3.317 2.728 1.00 0.00 C ATOM 0 H LEU A 78 -3.115 -6.084 -0.438 1.00 0.00 H new ATOM 0 HA LEU A 78 -2.736 -5.779 2.481 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -5.289 -5.617 0.831 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -5.222 -5.587 2.582 1.00 0.00 H new ATOM 0 HG LEU A 78 -4.136 -3.495 0.680 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -5.784 -2.042 1.797 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -6.561 -3.439 1.013 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -6.331 -3.424 2.777 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -3.491 -2.231 2.691 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -3.953 -3.618 3.706 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -2.598 -3.765 2.562 1.00 0.00 H new ATOM 940 N VAL A 79 -3.954 -8.214 0.639 1.00 0.00 N ATOM 941 CA VAL A 79 -4.257 -9.641 0.619 1.00 0.00 C ATOM 942 C VAL A 79 -3.149 -10.453 1.287 1.00 0.00 C ATOM 943 O VAL A 79 -2.190 -10.867 0.634 1.00 0.00 O ATOM 944 CB VAL A 79 -4.466 -10.145 -0.823 1.00 0.00 C ATOM 945 CG1 VAL A 79 -3.231 -9.880 -1.670 1.00 0.00 C ATOM 946 CG2 VAL A 79 -4.820 -11.625 -0.831 1.00 0.00 C ATOM 0 H VAL A 79 -3.997 -7.762 -0.274 1.00 0.00 H new ATOM 0 HA VAL A 79 -5.181 -9.780 1.180 1.00 0.00 H new ATOM 0 HB VAL A 79 -5.300 -9.595 -1.258 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -3.400 -10.243 -2.684 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -3.031 -8.809 -1.697 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -2.375 -10.398 -1.237 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -4.963 -11.959 -1.859 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -4.012 -12.195 -0.373 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -5.739 -11.782 -0.267 1.00 0.00 H new ATOM 956 N GLY A 80 -3.289 -10.684 2.591 1.00 0.00 N ATOM 957 CA GLY A 80 -2.291 -11.449 3.316 1.00 0.00 C ATOM 958 C GLY A 80 -2.039 -10.923 4.717 1.00 0.00 C ATOM 959 O GLY A 80 -1.600 -11.669 5.594 1.00 0.00 O ATOM 0 H GLY A 80 -4.073 -10.356 3.155 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -2.613 -12.489 3.377 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -1.356 -11.437 2.756 1.00 0.00 H new ATOM 963 N LEU A 81 -2.311 -9.639 4.933 1.00 0.00 N ATOM 964 CA LEU A 81 -2.099 -9.029 6.243 1.00 0.00 C ATOM 965 C LEU A 81 -3.418 -8.838 6.989 1.00 0.00 C ATOM 966 O LEU A 81 -4.491 -8.849 6.387 1.00 0.00 O ATOM 967 CB LEU A 81 -1.386 -7.681 6.101 1.00 0.00 C ATOM 968 CG LEU A 81 -1.778 -6.862 4.872 1.00 0.00 C ATOM 969 CD1 LEU A 81 -1.701 -5.374 5.178 1.00 0.00 C ATOM 970 CD2 LEU A 81 -0.884 -7.215 3.693 1.00 0.00 C ATOM 0 H LEU A 81 -2.676 -9.004 4.223 1.00 0.00 H new ATOM 0 HA LEU A 81 -1.472 -9.707 6.822 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.587 -7.087 6.992 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -0.311 -7.858 6.071 1.00 0.00 H new ATOM 0 HG LEU A 81 -2.807 -7.104 4.607 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -1.983 -4.805 4.292 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -2.382 -5.135 5.995 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -0.683 -5.114 5.467 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -1.176 -6.623 2.825 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.154 -7.000 3.946 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -0.989 -8.275 3.461 1.00 0.00 H new ATOM 982 N PRO A 82 -3.348 -8.664 8.322 1.00 0.00 N ATOM 983 CA PRO A 82 -4.536 -8.471 9.164 1.00 0.00 C ATOM 984 C PRO A 82 -5.256 -7.158 8.875 1.00 0.00 C ATOM 985 O PRO A 82 -4.957 -6.476 7.894 1.00 0.00 O ATOM 986 CB PRO A 82 -3.966 -8.462 10.586 1.00 0.00 C ATOM 987 CG PRO A 82 -2.545 -8.051 10.419 1.00 0.00 C ATOM 988 CD PRO A 82 -2.104 -8.643 9.113 1.00 0.00 C ATOM 0 HA PRO A 82 -5.283 -9.246 8.990 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -4.508 -7.765 11.226 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -4.042 -9.445 11.050 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -2.450 -6.965 10.409 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -1.932 -8.417 11.242 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -1.332 -8.039 8.636 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -1.691 -9.643 9.242 1.00 0.00 H new ATOM 996 N LEU A 83 -6.208 -6.814 9.737 1.00 0.00 N ATOM 997 CA LEU A 83 -6.980 -5.585 9.582 1.00 0.00 C ATOM 998 C LEU A 83 -6.178 -4.373 10.047 1.00 0.00 C ATOM 999 O LEU A 83 -6.114 -3.357 9.353 1.00 0.00 O ATOM 1000 CB LEU A 83 -8.293 -5.683 10.368 1.00 0.00 C ATOM 1001 CG LEU A 83 -8.880 -4.349 10.842 1.00 0.00 C ATOM 1002 CD1 LEU A 83 -10.389 -4.451 10.999 1.00 0.00 C ATOM 1003 CD2 LEU A 83 -8.236 -3.917 12.151 1.00 0.00 C ATOM 0 H LEU A 83 -6.464 -7.371 10.552 1.00 0.00 H new ATOM 0 HA LEU A 83 -7.207 -5.457 8.524 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -9.033 -6.184 9.744 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -8.128 -6.317 11.239 1.00 0.00 H new ATOM 0 HG LEU A 83 -8.665 -3.594 10.086 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -10.785 -3.493 11.336 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -10.838 -4.712 10.041 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -10.627 -5.221 11.733 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -8.665 -2.968 12.472 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -8.418 -4.674 12.914 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -7.162 -3.799 12.007 1.00 0.00 H new ATOM 1015 N SER A 84 -5.574 -4.481 11.226 1.00 0.00 N ATOM 1016 CA SER A 84 -4.786 -3.387 11.780 1.00 0.00 C ATOM 1017 C SER A 84 -3.739 -2.924 10.776 1.00 0.00 C ATOM 1018 O SER A 84 -3.519 -1.724 10.594 1.00 0.00 O ATOM 1019 CB SER A 84 -4.108 -3.823 13.079 1.00 0.00 C ATOM 1020 OG SER A 84 -5.050 -4.363 13.990 1.00 0.00 O ATOM 0 H SER A 84 -5.615 -5.313 11.815 1.00 0.00 H new ATOM 0 HA SER A 84 -5.457 -2.556 11.996 1.00 0.00 H new ATOM 0 HB2 SER A 84 -3.341 -4.566 12.861 1.00 0.00 H new ATOM 0 HB3 SER A 84 -3.605 -2.970 13.534 1.00 0.00 H new ATOM 0 HG SER A 84 -4.591 -4.636 14.812 1.00 0.00 H new ATOM 1026 N THR A 85 -3.104 -3.884 10.117 1.00 0.00 N ATOM 1027 CA THR A 85 -2.090 -3.576 9.124 1.00 0.00 C ATOM 1028 C THR A 85 -2.702 -2.845 7.936 1.00 0.00 C ATOM 1029 O THR A 85 -2.190 -1.811 7.513 1.00 0.00 O ATOM 1030 CB THR A 85 -1.401 -4.854 8.654 1.00 0.00 C ATOM 1031 OG1 THR A 85 -0.868 -5.572 9.753 1.00 0.00 O ATOM 1032 CG2 THR A 85 -0.270 -4.600 7.680 1.00 0.00 C ATOM 0 H THR A 85 -3.274 -4.880 10.254 1.00 0.00 H new ATOM 0 HA THR A 85 -1.348 -2.925 9.586 1.00 0.00 H new ATOM 0 HB THR A 85 -2.176 -5.429 8.146 1.00 0.00 H new ATOM 0 HG1 THR A 85 -0.299 -6.299 9.424 1.00 0.00 H new ATOM 0 HG21 THR A 85 0.177 -5.550 7.386 1.00 0.00 H new ATOM 0 HG22 THR A 85 -0.658 -4.092 6.797 1.00 0.00 H new ATOM 0 HG23 THR A 85 0.486 -3.975 8.155 1.00 0.00 H new ATOM 1040 N CYS A 86 -3.799 -3.387 7.404 1.00 0.00 N ATOM 1041 CA CYS A 86 -4.479 -2.782 6.259 1.00 0.00 C ATOM 1042 C CYS A 86 -4.861 -1.333 6.543 1.00 0.00 C ATOM 1043 O CYS A 86 -4.478 -0.423 5.803 1.00 0.00 O ATOM 1044 CB CYS A 86 -5.727 -3.589 5.899 1.00 0.00 C ATOM 1045 SG CYS A 86 -5.379 -5.248 5.271 1.00 0.00 S ATOM 0 H CYS A 86 -4.235 -4.243 7.748 1.00 0.00 H new ATOM 0 HA CYS A 86 -3.788 -2.792 5.416 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -6.360 -3.672 6.783 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -6.297 -3.041 5.149 1.00 0.00 H new ATOM 0 HG CYS A 86 -5.036 -6.022 6.257 1.00 0.00 H new ATOM 1051 N GLN A 87 -5.617 -1.116 7.619 1.00 0.00 N ATOM 1052 CA GLN A 87 -6.037 0.231 7.988 1.00 0.00 C ATOM 1053 C GLN A 87 -4.843 1.173 7.978 1.00 0.00 C ATOM 1054 O GLN A 87 -4.908 2.274 7.430 1.00 0.00 O ATOM 1055 CB GLN A 87 -6.692 0.226 9.369 1.00 0.00 C ATOM 1056 CG GLN A 87 -8.052 -0.449 9.392 1.00 0.00 C ATOM 1057 CD GLN A 87 -8.619 -0.565 10.792 1.00 0.00 C ATOM 1058 OE1 GLN A 87 -9.774 -0.220 11.037 1.00 0.00 O ATOM 1059 NE2 GLN A 87 -7.804 -1.052 11.718 1.00 0.00 N ATOM 0 H GLN A 87 -5.948 -1.851 8.245 1.00 0.00 H new ATOM 0 HA GLN A 87 -6.768 0.580 7.258 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -6.032 -0.280 10.074 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -6.800 1.254 9.715 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -8.745 0.116 8.769 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -7.968 -1.444 8.954 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -6.854 -1.325 11.468 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -8.128 -1.153 12.680 1.00 0.00 H new ATOM 1068 N SER A 88 -3.745 0.725 8.578 1.00 0.00 N ATOM 1069 CA SER A 88 -2.527 1.519 8.625 1.00 0.00 C ATOM 1070 C SER A 88 -2.059 1.866 7.215 1.00 0.00 C ATOM 1071 O SER A 88 -1.559 2.966 6.967 1.00 0.00 O ATOM 1072 CB SER A 88 -1.428 0.764 9.373 1.00 0.00 C ATOM 1073 OG SER A 88 -0.584 1.657 10.078 1.00 0.00 O ATOM 0 H SER A 88 -3.676 -0.183 9.037 1.00 0.00 H new ATOM 0 HA SER A 88 -2.742 2.445 9.158 1.00 0.00 H new ATOM 0 HB2 SER A 88 -1.878 0.057 10.070 1.00 0.00 H new ATOM 0 HB3 SER A 88 -0.837 0.182 8.666 1.00 0.00 H new ATOM 0 HG SER A 88 0.109 1.149 10.549 1.00 0.00 H new ATOM 1079 N ILE A 89 -2.230 0.923 6.287 1.00 0.00 N ATOM 1080 CA ILE A 89 -1.829 1.131 4.904 1.00 0.00 C ATOM 1081 C ILE A 89 -2.529 2.344 4.311 1.00 0.00 C ATOM 1082 O ILE A 89 -1.890 3.219 3.727 1.00 0.00 O ATOM 1083 CB ILE A 89 -2.160 -0.098 4.042 1.00 0.00 C ATOM 1084 CG1 ILE A 89 -1.679 -1.373 4.729 1.00 0.00 C ATOM 1085 CG2 ILE A 89 -1.543 0.035 2.663 1.00 0.00 C ATOM 1086 CD1 ILE A 89 -0.210 -1.352 5.093 1.00 0.00 C ATOM 0 H ILE A 89 -2.644 0.009 6.473 1.00 0.00 H new ATOM 0 HA ILE A 89 -0.751 1.295 4.904 1.00 0.00 H new ATOM 0 HB ILE A 89 -3.242 -0.158 3.925 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -2.266 -1.531 5.634 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -1.869 -2.222 4.073 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -1.789 -0.845 2.068 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -1.936 0.926 2.173 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -0.460 0.120 2.755 1.00 0.00 H new ATOM 0 HD11 ILE A 89 0.058 -2.291 5.577 1.00 0.00 H new ATOM 0 HD12 ILE A 89 0.387 -1.226 4.190 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -0.016 -0.524 5.775 1.00 0.00 H new ATOM 1098 N ILE A 90 -3.846 2.395 4.470 1.00 0.00 N ATOM 1099 CA ILE A 90 -4.626 3.501 3.958 1.00 0.00 C ATOM 1100 C ILE A 90 -4.372 4.766 4.767 1.00 0.00 C ATOM 1101 O ILE A 90 -4.209 5.852 4.210 1.00 0.00 O ATOM 1102 CB ILE A 90 -6.123 3.176 3.998 1.00 0.00 C ATOM 1103 CG1 ILE A 90 -6.399 1.825 3.335 1.00 0.00 C ATOM 1104 CG2 ILE A 90 -6.894 4.277 3.310 1.00 0.00 C ATOM 1105 CD1 ILE A 90 -7.809 1.321 3.558 1.00 0.00 C ATOM 0 H ILE A 90 -4.391 1.680 4.951 1.00 0.00 H new ATOM 0 HA ILE A 90 -4.319 3.666 2.925 1.00 0.00 H new ATOM 0 HB ILE A 90 -6.447 3.110 5.036 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -6.217 1.911 2.264 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -5.693 1.089 3.720 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -7.959 4.047 3.338 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -6.713 5.222 3.822 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -6.567 4.357 2.273 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -7.935 0.359 3.061 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -7.988 1.203 4.627 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -8.521 2.037 3.148 1.00 0.00 H new ATOM 1117 N LYS A 91 -4.340 4.617 6.084 1.00 0.00 N ATOM 1118 CA LYS A 91 -4.105 5.747 6.975 1.00 0.00 C ATOM 1119 C LYS A 91 -2.812 6.466 6.610 1.00 0.00 C ATOM 1120 O LYS A 91 -2.646 7.655 6.886 1.00 0.00 O ATOM 1121 CB LYS A 91 -4.050 5.280 8.430 1.00 0.00 C ATOM 1122 CG LYS A 91 -5.419 5.098 9.062 1.00 0.00 C ATOM 1123 CD LYS A 91 -5.448 3.898 9.994 1.00 0.00 C ATOM 1124 CE LYS A 91 -6.495 4.063 11.082 1.00 0.00 C ATOM 1125 NZ LYS A 91 -7.844 3.620 10.630 1.00 0.00 N ATOM 0 H LYS A 91 -4.474 3.725 6.560 1.00 0.00 H new ATOM 0 HA LYS A 91 -4.934 6.445 6.859 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -3.508 4.336 8.480 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -3.483 6.004 9.014 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -5.687 5.997 9.617 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -6.168 4.971 8.280 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -5.657 2.995 9.420 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -4.466 3.766 10.449 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -6.200 3.488 11.960 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -6.540 5.109 11.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -8.333 3.142 11.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -8.398 4.447 10.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -7.744 2.961 9.831 1.00 0.00 H new ATOM 1139 N GLY A 92 -1.905 5.735 5.977 1.00 0.00 N ATOM 1140 CA GLY A 92 -0.638 6.313 5.569 1.00 0.00 C ATOM 1141 C GLY A 92 -0.791 7.275 4.406 1.00 0.00 C ATOM 1142 O GLY A 92 -0.230 8.370 4.418 1.00 0.00 O ATOM 0 H GLY A 92 -2.023 4.750 5.738 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -0.191 6.837 6.414 1.00 0.00 H new ATOM 0 HA3 GLY A 92 0.049 5.515 5.289 1.00 0.00 H new ATOM 1146 N LEU A 93 -1.559 6.866 3.398 1.00 0.00 N ATOM 1147 CA LEU A 93 -1.790 7.701 2.222 1.00 0.00 C ATOM 1148 C LEU A 93 -2.954 8.660 2.455 1.00 0.00 C ATOM 1149 O LEU A 93 -3.946 8.640 1.727 1.00 0.00 O ATOM 1150 CB LEU A 93 -2.061 6.834 0.991 1.00 0.00 C ATOM 1151 CG LEU A 93 -2.996 5.652 1.228 1.00 0.00 C ATOM 1152 CD1 LEU A 93 -4.083 5.604 0.165 1.00 0.00 C ATOM 1153 CD2 LEU A 93 -2.213 4.348 1.254 1.00 0.00 C ATOM 0 H LEU A 93 -2.031 5.962 3.372 1.00 0.00 H new ATOM 0 HA LEU A 93 -0.889 8.289 2.046 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -2.486 7.463 0.209 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -1.110 6.456 0.615 1.00 0.00 H new ATOM 0 HG LEU A 93 -3.475 5.784 2.198 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -4.738 4.754 0.353 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -4.665 6.525 0.198 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -3.625 5.499 -0.819 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -2.897 3.516 1.424 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -1.704 4.210 0.300 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -1.476 4.382 2.057 1.00 0.00 H new ATOM 1165 N LYS A 94 -2.826 9.495 3.480 1.00 0.00 N ATOM 1166 CA LYS A 94 -3.866 10.461 3.817 1.00 0.00 C ATOM 1167 C LYS A 94 -3.686 11.762 3.040 1.00 0.00 C ATOM 1168 O LYS A 94 -4.660 12.448 2.730 1.00 0.00 O ATOM 1169 CB LYS A 94 -3.853 10.747 5.320 1.00 0.00 C ATOM 1170 CG LYS A 94 -4.862 11.800 5.751 1.00 0.00 C ATOM 1171 CD LYS A 94 -5.035 11.823 7.259 1.00 0.00 C ATOM 1172 CE LYS A 94 -4.097 12.826 7.910 1.00 0.00 C ATOM 1173 NZ LYS A 94 -4.431 14.227 7.530 1.00 0.00 N ATOM 0 H LYS A 94 -2.011 9.523 4.093 1.00 0.00 H new ATOM 0 HA LYS A 94 -4.827 10.029 3.540 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -4.055 9.821 5.859 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -2.854 11.073 5.610 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -4.535 12.781 5.407 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -5.823 11.600 5.277 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -6.067 12.075 7.504 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -4.845 10.829 7.664 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -4.149 12.722 8.994 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -3.070 12.606 7.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -4.063 14.879 8.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -4.000 14.449 6.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -5.464 14.332 7.463 1.00 0.00 H new ATOM 1187 N ASN A 95 -2.437 12.106 2.740 1.00 0.00 N ATOM 1188 CA ASN A 95 -2.143 13.337 2.013 1.00 0.00 C ATOM 1189 C ASN A 95 -1.563 13.048 0.629 1.00 0.00 C ATOM 1190 O ASN A 95 -0.409 13.374 0.348 1.00 0.00 O ATOM 1191 CB ASN A 95 -1.169 14.203 2.814 1.00 0.00 C ATOM 1192 CG ASN A 95 -1.794 14.751 4.083 1.00 0.00 C ATOM 1193 OD1 ASN A 95 -2.683 15.599 4.035 1.00 0.00 O ATOM 1194 ND2 ASN A 95 -1.328 14.264 5.228 1.00 0.00 N ATOM 0 H ASN A 95 -1.616 11.553 2.987 1.00 0.00 H new ATOM 0 HA ASN A 95 -3.082 13.874 1.879 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -0.289 13.613 3.071 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -0.828 15.031 2.193 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -1.709 14.593 6.115 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -0.589 13.561 5.220 1.00 0.00 H new ATOM 1201 N GLN A 96 -2.373 12.444 -0.235 1.00 0.00 N ATOM 1202 CA GLN A 96 -1.936 12.123 -1.593 1.00 0.00 C ATOM 1203 C GLN A 96 -2.794 12.835 -2.633 1.00 0.00 C ATOM 1204 O GLN A 96 -2.333 13.122 -3.738 1.00 0.00 O ATOM 1205 CB GLN A 96 -1.992 10.615 -1.842 1.00 0.00 C ATOM 1206 CG GLN A 96 -1.641 9.774 -0.630 1.00 0.00 C ATOM 1207 CD GLN A 96 -0.201 9.954 -0.190 1.00 0.00 C ATOM 1208 OE1 GLN A 96 0.135 10.917 0.498 1.00 0.00 O ATOM 1209 NE2 GLN A 96 0.658 9.022 -0.586 1.00 0.00 N ATOM 0 H GLN A 96 -3.331 12.167 -0.022 1.00 0.00 H new ATOM 0 HA GLN A 96 -0.906 12.466 -1.689 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -2.995 10.350 -2.177 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -1.309 10.366 -2.654 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -2.304 10.037 0.194 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -1.818 8.723 -0.858 1.00 0.00 H new ATOM 0 HE21 GLN A 96 0.335 8.240 -1.156 1.00 0.00 H new ATOM 0 HE22 GLN A 96 1.641 9.088 -0.320 1.00 0.00 H new ATOM 1218 N SER A 97 -4.048 13.105 -2.278 1.00 0.00 N ATOM 1219 CA SER A 97 -4.981 13.772 -3.185 1.00 0.00 C ATOM 1220 C SER A 97 -5.478 12.809 -4.266 1.00 0.00 C ATOM 1221 O SER A 97 -6.194 13.209 -5.183 1.00 0.00 O ATOM 1222 CB SER A 97 -4.325 14.998 -3.831 1.00 0.00 C ATOM 1223 OG SER A 97 -5.295 15.845 -4.422 1.00 0.00 O ATOM 0 H SER A 97 -4.443 12.872 -1.367 1.00 0.00 H new ATOM 0 HA SER A 97 -5.838 14.102 -2.598 1.00 0.00 H new ATOM 0 HB2 SER A 97 -3.764 15.552 -3.079 1.00 0.00 H new ATOM 0 HB3 SER A 97 -3.610 14.675 -4.588 1.00 0.00 H new ATOM 0 HG SER A 97 -6.131 15.349 -4.545 1.00 0.00 H new ATOM 1229 N ARG A 98 -5.099 11.537 -4.144 1.00 0.00 N ATOM 1230 CA ARG A 98 -5.510 10.515 -5.102 1.00 0.00 C ATOM 1231 C ARG A 98 -5.252 9.128 -4.529 1.00 0.00 C ATOM 1232 O ARG A 98 -4.145 8.831 -4.077 1.00 0.00 O ATOM 1233 CB ARG A 98 -4.767 10.686 -6.426 1.00 0.00 C ATOM 1234 CG ARG A 98 -5.688 10.673 -7.632 1.00 0.00 C ATOM 1235 CD ARG A 98 -4.908 10.684 -8.927 1.00 0.00 C ATOM 1236 NE ARG A 98 -4.513 12.037 -9.313 1.00 0.00 N ATOM 1237 CZ ARG A 98 -3.989 12.347 -10.495 1.00 0.00 C ATOM 1238 NH1 ARG A 98 -3.791 11.407 -11.412 1.00 0.00 N ATOM 1239 NH2 ARG A 98 -3.662 13.604 -10.765 1.00 0.00 N ATOM 0 H ARG A 98 -4.507 11.191 -3.389 1.00 0.00 H new ATOM 0 HA ARG A 98 -6.578 10.628 -5.291 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -4.216 11.626 -6.408 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -4.032 9.888 -6.529 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -6.323 9.788 -7.596 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -6.348 11.540 -7.596 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -4.019 10.063 -8.821 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -5.513 10.242 -9.719 1.00 0.00 H new ATOM 0 HE ARG A 98 -4.647 12.788 -8.636 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -4.041 10.439 -11.212 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -3.389 11.653 -12.316 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -3.813 14.332 -10.066 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -3.260 13.843 -11.671 1.00 0.00 H new ATOM 1253 N VAL A 99 -6.277 8.285 -4.534 1.00 0.00 N ATOM 1254 CA VAL A 99 -6.151 6.939 -3.994 1.00 0.00 C ATOM 1255 C VAL A 99 -6.364 5.871 -5.067 1.00 0.00 C ATOM 1256 O VAL A 99 -7.386 5.854 -5.752 1.00 0.00 O ATOM 1257 CB VAL A 99 -7.138 6.722 -2.815 1.00 0.00 C ATOM 1258 CG1 VAL A 99 -8.360 5.915 -3.235 1.00 0.00 C ATOM 1259 CG2 VAL A 99 -6.431 6.054 -1.643 1.00 0.00 C ATOM 0 H VAL A 99 -7.201 8.509 -4.904 1.00 0.00 H new ATOM 0 HA VAL A 99 -5.131 6.837 -3.623 1.00 0.00 H new ATOM 0 HB VAL A 99 -7.491 7.704 -2.500 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -9.023 5.787 -2.380 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -8.889 6.442 -4.029 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -8.043 4.937 -3.598 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -7.138 5.910 -0.826 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -6.038 5.087 -1.958 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -5.610 6.686 -1.305 1.00 0.00 H new ATOM 1269 N LYS A 100 -5.394 4.972 -5.193 1.00 0.00 N ATOM 1270 CA LYS A 100 -5.471 3.883 -6.159 1.00 0.00 C ATOM 1271 C LYS A 100 -5.692 2.566 -5.420 1.00 0.00 C ATOM 1272 O LYS A 100 -4.793 2.084 -4.731 1.00 0.00 O ATOM 1273 CB LYS A 100 -4.184 3.799 -6.984 1.00 0.00 C ATOM 1274 CG LYS A 100 -3.833 5.092 -7.703 1.00 0.00 C ATOM 1275 CD LYS A 100 -3.688 4.879 -9.201 1.00 0.00 C ATOM 1276 CE LYS A 100 -4.949 4.285 -9.809 1.00 0.00 C ATOM 1277 NZ LYS A 100 -4.717 2.914 -10.343 1.00 0.00 N ATOM 0 H LYS A 100 -4.541 4.977 -4.634 1.00 0.00 H new ATOM 0 HA LYS A 100 -6.304 4.073 -6.836 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -3.359 3.524 -6.327 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -4.286 3.001 -7.719 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -4.607 5.835 -7.514 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -2.902 5.492 -7.300 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -3.464 5.830 -9.684 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -2.844 4.217 -9.395 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -5.735 4.252 -9.054 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -5.304 4.932 -10.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -5.596 2.362 -10.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -4.422 2.974 -11.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -3.971 2.447 -9.789 1.00 0.00 H new ATOM 1291 N LEU A 101 -6.888 2.000 -5.534 1.00 0.00 N ATOM 1292 CA LEU A 101 -7.195 0.756 -4.832 1.00 0.00 C ATOM 1293 C LEU A 101 -7.742 -0.312 -5.762 1.00 0.00 C ATOM 1294 O LEU A 101 -8.821 -0.169 -6.331 1.00 0.00 O ATOM 1295 CB LEU A 101 -8.208 0.999 -3.714 1.00 0.00 C ATOM 1296 CG LEU A 101 -8.366 2.456 -3.283 1.00 0.00 C ATOM 1297 CD1 LEU A 101 -9.832 2.861 -3.295 1.00 0.00 C ATOM 1298 CD2 LEU A 101 -7.750 2.668 -1.912 1.00 0.00 C ATOM 0 H LEU A 101 -7.652 2.374 -6.097 1.00 0.00 H new ATOM 0 HA LEU A 101 -6.253 0.401 -4.413 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -9.179 0.626 -4.039 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -7.914 0.410 -2.845 1.00 0.00 H new ATOM 0 HG LEU A 101 -7.839 3.092 -3.994 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -9.924 3.902 -2.985 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -10.233 2.745 -4.302 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -10.390 2.227 -2.607 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -7.869 3.710 -1.617 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -8.248 2.026 -1.186 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -6.689 2.420 -1.948 1.00 0.00 H new ATOM 1310 N ASN A 102 -7.010 -1.403 -5.866 1.00 0.00 N ATOM 1311 CA ASN A 102 -7.434 -2.528 -6.686 1.00 0.00 C ATOM 1312 C ASN A 102 -8.321 -3.442 -5.852 1.00 0.00 C ATOM 1313 O ASN A 102 -7.833 -4.336 -5.162 1.00 0.00 O ATOM 1314 CB ASN A 102 -6.225 -3.296 -7.222 1.00 0.00 C ATOM 1315 CG ASN A 102 -6.008 -3.062 -8.702 1.00 0.00 C ATOM 1316 OD1 ASN A 102 -4.887 -2.812 -9.147 1.00 0.00 O ATOM 1317 ND2 ASN A 102 -7.085 -3.141 -9.476 1.00 0.00 N ATOM 0 H ASN A 102 -6.116 -1.538 -5.393 1.00 0.00 H new ATOM 0 HA ASN A 102 -7.996 -2.157 -7.543 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -5.333 -2.994 -6.674 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -6.365 -4.362 -7.041 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -7.002 -2.992 -10.482 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -7.994 -3.351 -9.065 1.00 0.00 H new ATOM 1324 N ILE A 103 -9.625 -3.187 -5.892 1.00 0.00 N ATOM 1325 CA ILE A 103 -10.570 -3.968 -5.103 1.00 0.00 C ATOM 1326 C ILE A 103 -11.426 -4.882 -5.974 1.00 0.00 C ATOM 1327 O ILE A 103 -11.402 -4.795 -7.203 1.00 0.00 O ATOM 1328 CB ILE A 103 -11.472 -3.050 -4.240 1.00 0.00 C ATOM 1329 CG1 ILE A 103 -12.735 -2.616 -4.991 1.00 0.00 C ATOM 1330 CG2 ILE A 103 -10.699 -1.818 -3.786 1.00 0.00 C ATOM 1331 CD1 ILE A 103 -13.807 -2.084 -4.073 1.00 0.00 C ATOM 0 H ILE A 103 -10.049 -2.452 -6.458 1.00 0.00 H new ATOM 0 HA ILE A 103 -9.979 -4.600 -4.440 1.00 0.00 H new ATOM 0 HB ILE A 103 -11.780 -3.630 -3.370 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -12.473 -1.849 -5.720 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -13.130 -3.465 -5.550 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -11.347 -1.184 -3.181 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -9.838 -2.127 -3.193 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -10.358 -1.261 -4.658 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -14.677 -1.792 -4.661 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -14.093 -2.858 -3.361 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -13.426 -1.217 -3.533 1.00 0.00 H new ATOM 1343 N VAL A 104 -12.187 -5.754 -5.322 1.00 0.00 N ATOM 1344 CA VAL A 104 -13.062 -6.685 -6.019 1.00 0.00 C ATOM 1345 C VAL A 104 -14.526 -6.394 -5.698 1.00 0.00 C ATOM 1346 O VAL A 104 -14.896 -6.231 -4.533 1.00 0.00 O ATOM 1347 CB VAL A 104 -12.724 -8.151 -5.660 1.00 0.00 C ATOM 1348 CG1 VAL A 104 -13.318 -8.541 -4.314 1.00 0.00 C ATOM 1349 CG2 VAL A 104 -13.199 -9.092 -6.755 1.00 0.00 C ATOM 0 H VAL A 104 -12.214 -5.834 -4.306 1.00 0.00 H new ATOM 0 HA VAL A 104 -12.900 -6.549 -7.088 1.00 0.00 H new ATOM 0 HB VAL A 104 -11.640 -8.236 -5.580 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -13.063 -9.577 -4.090 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -12.915 -7.892 -3.537 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -14.402 -8.434 -4.350 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -12.952 -10.119 -6.485 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -14.278 -8.997 -6.873 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -12.707 -8.836 -7.693 1.00 0.00 H new ATOM 1359 N ARG A 105 -15.353 -6.322 -6.736 1.00 0.00 N ATOM 1360 CA ARG A 105 -16.774 -6.043 -6.563 1.00 0.00 C ATOM 1361 C ARG A 105 -17.551 -7.325 -6.280 1.00 0.00 C ATOM 1362 O ARG A 105 -17.394 -8.326 -6.979 1.00 0.00 O ATOM 1363 CB ARG A 105 -17.335 -5.354 -7.810 1.00 0.00 C ATOM 1364 CG ARG A 105 -18.120 -4.089 -7.505 1.00 0.00 C ATOM 1365 CD ARG A 105 -19.619 -4.338 -7.545 1.00 0.00 C ATOM 1366 NE ARG A 105 -20.376 -3.212 -7.005 1.00 0.00 N ATOM 1367 CZ ARG A 105 -21.693 -3.071 -7.140 1.00 0.00 C ATOM 1368 NH1 ARG A 105 -22.402 -3.981 -7.796 1.00 0.00 N ATOM 1369 NH2 ARG A 105 -22.302 -2.016 -6.617 1.00 0.00 N ATOM 0 H ARG A 105 -15.064 -6.453 -7.705 1.00 0.00 H new ATOM 0 HA ARG A 105 -16.887 -5.377 -5.707 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -16.511 -5.108 -8.480 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -17.981 -6.053 -8.342 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -17.839 -3.714 -6.521 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -17.860 -3.315 -8.227 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -19.928 -4.523 -8.574 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -19.852 -5.238 -6.976 1.00 0.00 H new ATOM 0 HE ARG A 105 -19.866 -2.491 -6.494 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -21.938 -4.795 -8.200 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -23.411 -3.867 -7.896 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -21.762 -1.314 -6.112 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -23.311 -1.907 -6.720 1.00 0.00 H new ATOM 1384 N PRO B -3 -16.614 2.823 14.097 1.00 0.00 N ATOM 1385 CA PRO B -3 -15.297 2.297 13.729 1.00 0.00 C ATOM 1386 C PRO B -3 -14.390 3.373 13.136 1.00 0.00 C ATOM 1387 O PRO B -3 -14.867 4.370 12.595 1.00 0.00 O ATOM 1388 CB PRO B -3 -15.626 1.239 12.679 1.00 0.00 C ATOM 1389 CG PRO B -3 -16.887 1.720 12.045 1.00 0.00 C ATOM 1390 CD PRO B -3 -17.658 2.423 13.132 1.00 0.00 C ATOM 0 H2 PRO B -3 -16.571 3.841 14.148 1.00 0.00 H new ATOM 0 H3 PRO B -3 -16.865 2.488 15.027 1.00 0.00 H new ATOM 0 HA PRO B -3 -14.753 1.910 14.591 1.00 0.00 H new ATOM 0 HB2 PRO B -3 -14.825 1.145 11.946 1.00 0.00 H new ATOM 0 HB3 PRO B -3 -15.760 0.257 13.133 1.00 0.00 H new ATOM 0 HG2 PRO B -3 -16.674 2.397 11.218 1.00 0.00 H new ATOM 0 HG3 PRO B -3 -17.460 0.888 11.636 1.00 0.00 H new ATOM 0 HD2 PRO B -3 -18.198 3.287 12.745 1.00 0.00 H new ATOM 0 HD3 PRO B -3 -18.396 1.764 13.590 1.00 0.00 H new ATOM 1398 N VAL B -2 -13.081 3.163 13.239 1.00 0.00 N ATOM 1399 CA VAL B -2 -12.113 4.116 12.707 1.00 0.00 C ATOM 1400 C VAL B -2 -12.321 4.323 11.212 1.00 0.00 C ATOM 1401 O VAL B -2 -12.787 3.424 10.511 1.00 0.00 O ATOM 1402 CB VAL B -2 -10.663 3.653 12.953 1.00 0.00 C ATOM 1403 CG1 VAL B -2 -9.688 4.784 12.662 1.00 0.00 C ATOM 1404 CG2 VAL B -2 -10.495 3.150 14.383 1.00 0.00 C ATOM 0 H VAL B -2 -12.667 2.344 13.685 1.00 0.00 H new ATOM 0 HA VAL B -2 -12.275 5.057 13.233 1.00 0.00 H new ATOM 0 HB VAL B -2 -10.444 2.828 12.275 1.00 0.00 H new ATOM 0 HG11 VAL B -2 -8.669 4.441 12.841 1.00 0.00 H new ATOM 0 HG12 VAL B -2 -9.790 5.093 11.622 1.00 0.00 H new ATOM 0 HG13 VAL B -2 -9.906 5.629 13.315 1.00 0.00 H new ATOM 0 HG21 VAL B -2 -9.465 2.828 14.537 1.00 0.00 H new ATOM 0 HG22 VAL B -2 -10.732 3.953 15.081 1.00 0.00 H new ATOM 0 HG23 VAL B -2 -11.167 2.309 14.554 1.00 0.00 H new ATOM 1414 N TYR B -1 -11.983 5.514 10.727 1.00 0.00 N ATOM 1415 CA TYR B -1 -12.146 5.833 9.314 1.00 0.00 C ATOM 1416 C TYR B -1 -10.804 6.140 8.656 1.00 0.00 C ATOM 1417 O TYR B -1 -9.964 6.836 9.226 1.00 0.00 O ATOM 1418 CB TYR B -1 -13.084 7.030 9.149 1.00 0.00 C ATOM 1419 CG TYR B -1 -14.531 6.644 8.945 1.00 0.00 C ATOM 1420 CD1 TYR B -1 -15.356 6.369 10.027 1.00 0.00 C ATOM 1421 CD2 TYR B -1 -15.073 6.556 7.670 1.00 0.00 C ATOM 1422 CE1 TYR B -1 -16.680 6.018 9.846 1.00 0.00 C ATOM 1423 CE2 TYR B -1 -16.395 6.205 7.479 1.00 0.00 C ATOM 1424 CZ TYR B -1 -17.195 5.938 8.570 1.00 0.00 C ATOM 1425 OH TYR B -1 -18.513 5.589 8.383 1.00 0.00 O ATOM 0 H TYR B -1 -11.596 6.271 11.290 1.00 0.00 H new ATOM 0 HA TYR B -1 -12.577 4.961 8.823 1.00 0.00 H new ATOM 0 HB2 TYR B -1 -13.007 7.665 10.032 1.00 0.00 H new ATOM 0 HB3 TYR B -1 -12.753 7.626 8.298 1.00 0.00 H new ATOM 0 HD1 TYR B -1 -14.956 6.431 11.028 1.00 0.00 H new ATOM 0 HD2 TYR B -1 -14.450 6.766 6.813 1.00 0.00 H new ATOM 0 HE1 TYR B -1 -17.308 5.808 10.699 1.00 0.00 H new ATOM 0 HE2 TYR B -1 -16.800 6.140 6.480 1.00 0.00 H new ATOM 0 HH TYR B -1 -19.043 5.887 9.152 1.00 0.00 H new ATOM 1435 N ILE B 0 -10.617 5.624 7.445 1.00 0.00 N ATOM 1436 CA ILE B 0 -9.387 5.852 6.697 1.00 0.00 C ATOM 1437 C ILE B 0 -9.659 6.704 5.467 1.00 0.00 C ATOM 1438 O ILE B 0 -10.840 7.034 5.230 1.00 0.00 O ATOM 1439 CB ILE B 0 -8.723 4.526 6.266 1.00 0.00 C ATOM 1440 CG1 ILE B 0 -9.656 3.712 5.362 1.00 0.00 C ATOM 1441 CG2 ILE B 0 -8.329 3.714 7.490 1.00 0.00 C ATOM 1442 CD1 ILE B 0 -9.869 4.315 3.987 1.00 0.00 C ATOM 1443 OXT ILE B 0 -8.692 7.025 4.745 1.00 0.00 O ATOM 0 H ILE B 0 -11.303 5.045 6.961 1.00 0.00 H new ATOM 0 HA ILE B 0 -8.702 6.378 7.362 1.00 0.00 H new ATOM 0 HB ILE B 0 -7.825 4.764 5.696 1.00 0.00 H new ATOM 0 HG12 ILE B 0 -9.248 2.708 5.247 1.00 0.00 H new ATOM 0 HG13 ILE B 0 -10.623 3.609 5.855 1.00 0.00 H new ATOM 0 HG21 ILE B 0 -7.862 2.782 7.173 1.00 0.00 H new ATOM 0 HG22 ILE B 0 -7.625 4.286 8.094 1.00 0.00 H new ATOM 0 HG23 ILE B 0 -9.218 3.492 8.081 1.00 0.00 H new ATOM 0 HD11 ILE B 0 -10.541 3.679 3.411 1.00 0.00 H new ATOM 0 HD12 ILE B 0 -10.308 5.308 4.089 1.00 0.00 H new ATOM 0 HD13 ILE B 0 -8.912 4.393 3.472 1.00 0.00 H new