USER MOD reduce.3.24.130724 H: found=0, std=0, add=752, rem=0, adj=21 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 Set 1.1: A 74 ASN : amide:sc= -6.69! C(o=-13!,f=-12!) USER MOD Set 1.2: A 96 GLN : amide:sc= -6.25! C(o=-13!,f=-17!) USER MOD Set 2.1: A 46 THR OG1 : rot 145:sc= -1! USER MOD Set 2.2: A 69 GLN : amide:sc= -7.84! C(o=-8.8!,f=-12!) USER MOD Single : A 19 LYS NZ :NH3+ -121:sc= 0.534 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ -124:sc= 0.329 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 57:sc= 1.22 USER MOD Single : A 42 SER OG : rot 88:sc= -0.261 USER MOD Single : A 51 ASN : amide:sc= -0.381 K(o=-0.38,f=-2.8!) USER MOD Single : A 52 MET CE :methyl -118:sc= -3! (180deg=-5.26!) USER MOD Single : A 53 MET CE :methyl -158:sc= -7.45! (180deg=-9.76!) USER MOD Single : A 54 HIS : no HD1:sc= -0.821 X(o=-0.82,f=-0.82) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot -81:sc= -1.11 USER MOD Single : A 63 LYS NZ :NH3+ -165:sc= -0.487 (180deg=-0.668) USER MOD Single : A 65 ASN : amide:sc= 0.49 K(o=0.49,f=-0.87) USER MOD Single : A 71 MET CE :methyl -124:sc= -15.8! (180deg=-25.9!) USER MOD Single : A 72 SER OG : rot 148:sc= -2.79 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0.00534 USER MOD Single : A 77 SER OG : rot 180:sc= 0.0491 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 176:sc= -1.27 USER MOD Single : A 86 CYS SG : rot 90:sc= -1.46 USER MOD Single : A 87 GLN : amide:sc= -4.77! C(o=-4.8!,f=-3.7!) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0179) USER MOD Single : A 94 LYS NZ :NH3+ 153:sc= -0.117 (180deg=-1.17) USER MOD Single : A 95 ASN : amide:sc= -0.599 X(o=-0.6,f=-0.17) USER MOD Single : A 97 SER OG : rot 5:sc= 0.478! USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 ASN : amide:sc= -0.655 K(o=-0.65,f=-0.13) USER MOD Single : B -1 TYR OH : rot 180:sc= -1.52 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 17 -14.870 -9.510 -8.742 1.00 0.00 N ATOM 2 CA GLU A 17 -14.389 -8.856 -9.953 1.00 0.00 C ATOM 3 C GLU A 17 -13.443 -7.708 -9.613 1.00 0.00 C ATOM 4 O GLU A 17 -13.869 -6.667 -9.117 1.00 0.00 O ATOM 5 CB GLU A 17 -15.566 -8.334 -10.778 1.00 0.00 C ATOM 6 CG GLU A 17 -15.220 -8.070 -12.235 1.00 0.00 C ATOM 7 CD GLU A 17 -15.141 -6.592 -12.558 1.00 0.00 C ATOM 8 OE1 GLU A 17 -14.541 -5.840 -11.760 1.00 0.00 O ATOM 9 OE2 GLU A 17 -15.679 -6.183 -13.609 1.00 0.00 O ATOM 0 HA GLU A 17 -13.841 -9.593 -10.540 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -16.380 -9.058 -10.732 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -15.933 -7.412 -10.328 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -14.265 -8.540 -12.468 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -15.970 -8.538 -12.873 1.00 0.00 H new ATOM 16 N PHE A 18 -12.157 -7.909 -9.886 1.00 0.00 N ATOM 17 CA PHE A 18 -11.147 -6.892 -9.611 1.00 0.00 C ATOM 18 C PHE A 18 -11.458 -5.599 -10.356 1.00 0.00 C ATOM 19 O PHE A 18 -12.083 -5.618 -11.416 1.00 0.00 O ATOM 20 CB PHE A 18 -9.762 -7.399 -10.018 1.00 0.00 C ATOM 21 CG PHE A 18 -8.992 -8.018 -8.889 1.00 0.00 C ATOM 22 CD1 PHE A 18 -8.271 -7.226 -8.010 1.00 0.00 C ATOM 23 CD2 PHE A 18 -8.983 -9.392 -8.709 1.00 0.00 C ATOM 24 CE1 PHE A 18 -7.556 -7.793 -6.973 1.00 0.00 C ATOM 25 CE2 PHE A 18 -8.271 -9.963 -7.673 1.00 0.00 C ATOM 26 CZ PHE A 18 -7.556 -9.163 -6.805 1.00 0.00 C ATOM 0 H PHE A 18 -11.790 -8.767 -10.297 1.00 0.00 H new ATOM 0 HA PHE A 18 -11.157 -6.688 -8.540 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -9.873 -8.133 -10.816 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -9.186 -6.569 -10.427 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -8.268 -6.154 -8.137 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -9.539 -10.023 -9.387 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -6.998 -7.165 -6.294 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -8.274 -11.035 -7.542 1.00 0.00 H new ATOM 0 HZ PHE A 18 -6.997 -9.608 -5.995 1.00 0.00 H new ATOM 36 N LYS A 19 -11.016 -4.476 -9.797 1.00 0.00 N ATOM 37 CA LYS A 19 -11.249 -3.179 -10.418 1.00 0.00 C ATOM 38 C LYS A 19 -10.346 -2.104 -9.823 1.00 0.00 C ATOM 39 O LYS A 19 -10.329 -1.887 -8.612 1.00 0.00 O ATOM 40 CB LYS A 19 -12.715 -2.772 -10.256 1.00 0.00 C ATOM 41 CG LYS A 19 -13.222 -2.890 -8.827 1.00 0.00 C ATOM 42 CD LYS A 19 -14.045 -1.676 -8.425 1.00 0.00 C ATOM 43 CE LYS A 19 -15.290 -1.540 -9.286 1.00 0.00 C ATOM 44 NZ LYS A 19 -16.267 -0.580 -8.701 1.00 0.00 N ATOM 0 H LYS A 19 -10.497 -4.439 -8.920 1.00 0.00 H new ATOM 0 HA LYS A 19 -11.012 -3.272 -11.478 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -12.838 -1.743 -10.593 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -13.331 -3.395 -10.904 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -13.828 -3.791 -8.728 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -12.376 -2.999 -8.148 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -14.333 -1.761 -7.377 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -13.437 -0.776 -8.517 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -15.006 -1.207 -10.284 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -15.762 -2.516 -9.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -17.170 -1.066 -8.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -15.895 -0.210 -7.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -16.419 0.207 -9.363 1.00 0.00 H new ATOM 58 N ASP A 20 -9.603 -1.428 -10.695 1.00 0.00 N ATOM 59 CA ASP A 20 -8.697 -0.361 -10.276 1.00 0.00 C ATOM 60 C ASP A 20 -9.479 0.894 -9.899 1.00 0.00 C ATOM 61 O ASP A 20 -9.931 1.640 -10.769 1.00 0.00 O ATOM 62 CB ASP A 20 -7.709 -0.037 -11.399 1.00 0.00 C ATOM 63 CG ASP A 20 -6.813 -1.211 -11.739 1.00 0.00 C ATOM 64 OD1 ASP A 20 -7.210 -2.033 -12.593 1.00 0.00 O ATOM 65 OD2 ASP A 20 -5.715 -1.309 -11.153 1.00 0.00 O ATOM 0 H ASP A 20 -9.610 -1.601 -11.700 1.00 0.00 H new ATOM 0 HA ASP A 20 -8.146 -0.705 -9.401 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -8.261 0.264 -12.289 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -7.093 0.812 -11.103 1.00 0.00 H new ATOM 70 N VAL A 21 -9.635 1.122 -8.599 1.00 0.00 N ATOM 71 CA VAL A 21 -10.361 2.288 -8.111 1.00 0.00 C ATOM 72 C VAL A 21 -9.466 3.521 -8.083 1.00 0.00 C ATOM 73 O VAL A 21 -8.312 3.455 -7.661 1.00 0.00 O ATOM 74 CB VAL A 21 -10.931 2.051 -6.698 1.00 0.00 C ATOM 75 CG1 VAL A 21 -11.849 3.195 -6.294 1.00 0.00 C ATOM 76 CG2 VAL A 21 -11.665 0.720 -6.628 1.00 0.00 C ATOM 0 H VAL A 21 -9.269 0.515 -7.866 1.00 0.00 H new ATOM 0 HA VAL A 21 -11.187 2.455 -8.803 1.00 0.00 H new ATOM 0 HB VAL A 21 -10.099 2.015 -5.995 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -12.242 3.011 -5.294 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -11.288 4.130 -6.297 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -12.675 3.265 -7.001 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -12.059 0.574 -5.622 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -12.488 0.720 -7.343 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -10.975 -0.089 -6.869 1.00 0.00 H new ATOM 86 N PHE A 22 -10.010 4.643 -8.533 1.00 0.00 N ATOM 87 CA PHE A 22 -9.273 5.899 -8.562 1.00 0.00 C ATOM 88 C PHE A 22 -10.037 6.983 -7.811 1.00 0.00 C ATOM 89 O PHE A 22 -11.032 7.510 -8.306 1.00 0.00 O ATOM 90 CB PHE A 22 -9.030 6.334 -10.010 1.00 0.00 C ATOM 91 CG PHE A 22 -7.640 6.842 -10.265 1.00 0.00 C ATOM 92 CD1 PHE A 22 -6.543 6.217 -9.695 1.00 0.00 C ATOM 93 CD2 PHE A 22 -7.431 7.944 -11.078 1.00 0.00 C ATOM 94 CE1 PHE A 22 -5.265 6.682 -9.930 1.00 0.00 C ATOM 95 CE2 PHE A 22 -6.154 8.413 -11.316 1.00 0.00 C ATOM 96 CZ PHE A 22 -5.069 7.779 -10.740 1.00 0.00 C ATOM 0 H PHE A 22 -10.965 4.709 -8.885 1.00 0.00 H new ATOM 0 HA PHE A 22 -8.311 5.748 -8.071 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -9.225 5.489 -10.671 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -9.745 7.114 -10.270 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -6.689 5.356 -9.060 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -8.276 8.442 -11.531 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -4.418 6.186 -9.479 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -6.003 9.274 -11.951 1.00 0.00 H new ATOM 0 HZ PHE A 22 -4.069 8.143 -10.925 1.00 0.00 H new ATOM 106 N ILE A 23 -9.571 7.306 -6.609 1.00 0.00 N ATOM 107 CA ILE A 23 -10.218 8.319 -5.788 1.00 0.00 C ATOM 108 C ILE A 23 -9.410 9.612 -5.761 1.00 0.00 C ATOM 109 O ILE A 23 -8.435 9.732 -5.017 1.00 0.00 O ATOM 110 CB ILE A 23 -10.428 7.820 -4.346 1.00 0.00 C ATOM 111 CG1 ILE A 23 -11.175 6.484 -4.357 1.00 0.00 C ATOM 112 CG2 ILE A 23 -11.185 8.856 -3.523 1.00 0.00 C ATOM 113 CD1 ILE A 23 -12.643 6.607 -4.710 1.00 0.00 C ATOM 0 H ILE A 23 -8.748 6.880 -6.183 1.00 0.00 H new ATOM 0 HA ILE A 23 -11.190 8.518 -6.240 1.00 0.00 H new ATOM 0 HB ILE A 23 -9.453 7.670 -3.882 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -10.694 5.815 -5.071 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -11.085 6.020 -3.375 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -11.323 8.484 -2.508 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -10.616 9.785 -3.495 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -12.159 9.041 -3.977 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -13.104 5.619 -4.697 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -13.140 7.249 -3.982 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -12.743 7.041 -5.705 1.00 0.00 H new ATOM 125 N GLU A 24 -9.829 10.577 -6.571 1.00 0.00 N ATOM 126 CA GLU A 24 -9.155 11.867 -6.638 1.00 0.00 C ATOM 127 C GLU A 24 -9.709 12.811 -5.575 1.00 0.00 C ATOM 128 O GLU A 24 -10.852 13.257 -5.667 1.00 0.00 O ATOM 129 CB GLU A 24 -9.326 12.487 -8.026 1.00 0.00 C ATOM 130 CG GLU A 24 -9.133 11.497 -9.164 1.00 0.00 C ATOM 131 CD GLU A 24 -9.674 12.012 -10.483 1.00 0.00 C ATOM 132 OE1 GLU A 24 -9.410 13.187 -10.814 1.00 0.00 O ATOM 133 OE2 GLU A 24 -10.362 11.241 -11.183 1.00 0.00 O ATOM 0 H GLU A 24 -10.634 10.490 -7.191 1.00 0.00 H new ATOM 0 HA GLU A 24 -8.093 11.710 -6.451 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -10.322 12.922 -8.100 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -8.612 13.303 -8.141 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -8.071 11.276 -9.272 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -9.629 10.560 -8.913 1.00 0.00 H new ATOM 140 N LYS A 25 -8.899 13.099 -4.563 1.00 0.00 N ATOM 141 CA LYS A 25 -9.318 13.981 -3.479 1.00 0.00 C ATOM 142 C LYS A 25 -8.198 14.938 -3.090 1.00 0.00 C ATOM 143 O LYS A 25 -7.175 15.018 -3.767 1.00 0.00 O ATOM 144 CB LYS A 25 -9.752 13.158 -2.262 1.00 0.00 C ATOM 145 CG LYS A 25 -8.943 11.886 -2.061 1.00 0.00 C ATOM 146 CD LYS A 25 -7.463 12.187 -1.888 1.00 0.00 C ATOM 147 CE LYS A 25 -6.786 11.163 -0.992 1.00 0.00 C ATOM 148 NZ LYS A 25 -6.646 11.654 0.407 1.00 0.00 N ATOM 0 H LYS A 25 -7.950 12.736 -4.470 1.00 0.00 H new ATOM 0 HA LYS A 25 -10.165 14.570 -3.831 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -9.668 13.776 -1.368 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -10.804 12.895 -2.369 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -9.312 11.354 -1.184 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -9.083 11.226 -2.917 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -6.976 12.196 -2.863 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -7.341 13.182 -1.461 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -7.364 10.239 -0.996 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -5.801 10.925 -1.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -5.646 11.616 0.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -6.985 12.635 0.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -7.209 11.054 1.043 1.00 0.00 H new ATOM 162 N GLN A 26 -8.400 15.664 -1.995 1.00 0.00 N ATOM 163 CA GLN A 26 -7.405 16.613 -1.515 1.00 0.00 C ATOM 164 C GLN A 26 -6.783 16.117 -0.217 1.00 0.00 C ATOM 165 O GLN A 26 -7.262 15.155 0.385 1.00 0.00 O ATOM 166 CB GLN A 26 -8.040 17.988 -1.300 1.00 0.00 C ATOM 167 CG GLN A 26 -8.027 18.865 -2.542 1.00 0.00 C ATOM 168 CD GLN A 26 -9.406 19.041 -3.148 1.00 0.00 C ATOM 169 OE1 GLN A 26 -10.127 19.980 -2.812 1.00 0.00 O ATOM 170 NE2 GLN A 26 -9.778 18.136 -4.045 1.00 0.00 N ATOM 0 H GLN A 26 -9.244 15.612 -1.424 1.00 0.00 H new ATOM 0 HA GLN A 26 -6.622 16.702 -2.268 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -9.070 17.856 -0.970 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -7.511 18.502 -0.497 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -7.619 19.843 -2.287 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -7.361 18.426 -3.285 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -9.147 17.374 -4.293 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -10.695 18.203 -4.486 1.00 0.00 H new ATOM 179 N LYS A 27 -5.714 16.773 0.212 1.00 0.00 N ATOM 180 CA LYS A 27 -5.032 16.394 1.442 1.00 0.00 C ATOM 181 C LYS A 27 -5.929 16.623 2.648 1.00 0.00 C ATOM 182 O LYS A 27 -6.862 17.425 2.599 1.00 0.00 O ATOM 183 CB LYS A 27 -3.734 17.185 1.598 1.00 0.00 C ATOM 184 CG LYS A 27 -2.947 17.316 0.305 1.00 0.00 C ATOM 185 CD LYS A 27 -1.452 17.384 0.569 1.00 0.00 C ATOM 186 CE LYS A 27 -0.665 16.626 -0.488 1.00 0.00 C ATOM 187 NZ LYS A 27 0.313 17.505 -1.189 1.00 0.00 N ATOM 0 H LYS A 27 -5.300 17.569 -0.273 1.00 0.00 H new ATOM 0 HA LYS A 27 -4.793 15.332 1.384 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -3.967 18.181 1.975 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -3.109 16.699 2.347 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -3.165 16.467 -0.343 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -3.265 18.213 -0.227 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -1.131 18.426 0.586 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -1.236 16.968 1.553 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -0.136 15.795 -0.021 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -1.354 16.197 -1.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 0.829 16.951 -1.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -0.193 18.284 -1.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 0.986 17.895 -0.499 1.00 0.00 H new ATOM 201 N GLY A 28 -5.643 15.910 3.726 1.00 0.00 N ATOM 202 CA GLY A 28 -6.436 16.045 4.931 1.00 0.00 C ATOM 203 C GLY A 28 -7.874 15.610 4.725 1.00 0.00 C ATOM 204 O GLY A 28 -8.752 15.961 5.514 1.00 0.00 O ATOM 0 H GLY A 28 -4.876 15.240 3.789 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -5.989 15.449 5.726 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -6.417 17.083 5.262 1.00 0.00 H new ATOM 208 N GLU A 29 -8.117 14.834 3.670 1.00 0.00 N ATOM 209 CA GLU A 29 -9.457 14.346 3.377 1.00 0.00 C ATOM 210 C GLU A 29 -9.442 12.839 3.197 1.00 0.00 C ATOM 211 O GLU A 29 -10.257 12.281 2.465 1.00 0.00 O ATOM 212 CB GLU A 29 -10.023 15.026 2.129 1.00 0.00 C ATOM 213 CG GLU A 29 -10.704 16.354 2.416 1.00 0.00 C ATOM 214 CD GLU A 29 -12.215 16.263 2.340 1.00 0.00 C ATOM 215 OE1 GLU A 29 -12.759 15.174 2.623 1.00 0.00 O ATOM 216 OE2 GLU A 29 -12.857 17.279 1.998 1.00 0.00 O ATOM 0 H GLU A 29 -7.403 14.532 3.007 1.00 0.00 H new ATOM 0 HA GLU A 29 -10.102 14.591 4.221 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -9.215 15.188 1.416 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -10.739 14.356 1.653 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -10.414 16.700 3.408 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -10.352 17.100 1.703 1.00 0.00 H new ATOM 223 N ILE A 30 -8.501 12.203 3.893 1.00 0.00 N ATOM 224 CA ILE A 30 -8.315 10.745 3.876 1.00 0.00 C ATOM 225 C ILE A 30 -9.137 10.043 2.797 1.00 0.00 C ATOM 226 O ILE A 30 -8.614 9.668 1.746 1.00 0.00 O ATOM 227 CB ILE A 30 -8.650 10.123 5.248 1.00 0.00 C ATOM 228 CG1 ILE A 30 -9.732 10.927 5.969 1.00 0.00 C ATOM 229 CG2 ILE A 30 -7.401 10.030 6.110 1.00 0.00 C ATOM 230 CD1 ILE A 30 -10.780 10.054 6.612 1.00 0.00 C ATOM 0 H ILE A 30 -7.835 12.689 4.494 1.00 0.00 H new ATOM 0 HA ILE A 30 -7.261 10.591 3.644 1.00 0.00 H new ATOM 0 HB ILE A 30 -9.033 9.117 5.075 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -9.267 11.550 6.733 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -10.212 11.599 5.258 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -7.656 9.589 7.074 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -6.660 9.406 5.610 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -6.991 11.028 6.265 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -11.521 10.681 7.108 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -11.269 9.450 5.848 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -10.309 9.400 7.345 1.00 0.00 H new ATOM 242 N LEU A 31 -10.420 9.866 3.071 1.00 0.00 N ATOM 243 CA LEU A 31 -11.334 9.203 2.144 1.00 0.00 C ATOM 244 C LEU A 31 -12.685 8.994 2.814 1.00 0.00 C ATOM 245 O LEU A 31 -13.732 9.293 2.240 1.00 0.00 O ATOM 246 CB LEU A 31 -10.763 7.857 1.687 1.00 0.00 C ATOM 247 CG LEU A 31 -10.765 7.632 0.173 1.00 0.00 C ATOM 248 CD1 LEU A 31 -9.587 8.341 -0.474 1.00 0.00 C ATOM 249 CD2 LEU A 31 -10.735 6.144 -0.143 1.00 0.00 C ATOM 0 H LEU A 31 -10.859 10.175 3.938 1.00 0.00 H new ATOM 0 HA LEU A 31 -11.459 9.838 1.267 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -9.739 7.772 2.050 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -11.335 7.058 2.158 1.00 0.00 H new ATOM 0 HG LEU A 31 -11.683 8.052 -0.237 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -9.605 8.169 -1.550 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -9.653 9.411 -0.276 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -8.656 7.952 -0.061 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -10.737 6.001 -1.224 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -9.834 5.700 0.280 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -11.613 5.663 0.288 1.00 0.00 H new ATOM 261 N GLY A 32 -12.645 8.488 4.041 1.00 0.00 N ATOM 262 CA GLY A 32 -13.863 8.254 4.792 1.00 0.00 C ATOM 263 C GLY A 32 -14.462 6.879 4.559 1.00 0.00 C ATOM 264 O GLY A 32 -15.553 6.761 4.002 1.00 0.00 O ATOM 0 H GLY A 32 -11.787 8.235 4.530 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -13.654 8.376 5.855 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -14.598 9.012 4.523 1.00 0.00 H new ATOM 268 N VAL A 33 -13.760 5.839 4.999 1.00 0.00 N ATOM 269 CA VAL A 33 -14.256 4.472 4.845 1.00 0.00 C ATOM 270 C VAL A 33 -13.771 3.571 5.979 1.00 0.00 C ATOM 271 O VAL A 33 -12.752 3.843 6.611 1.00 0.00 O ATOM 272 CB VAL A 33 -13.877 3.855 3.469 1.00 0.00 C ATOM 273 CG1 VAL A 33 -13.763 4.936 2.405 1.00 0.00 C ATOM 274 CG2 VAL A 33 -12.591 3.036 3.545 1.00 0.00 C ATOM 0 H VAL A 33 -12.854 5.913 5.461 1.00 0.00 H new ATOM 0 HA VAL A 33 -15.343 4.535 4.890 1.00 0.00 H new ATOM 0 HB VAL A 33 -14.680 3.174 3.188 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -13.497 4.481 1.451 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -14.718 5.452 2.307 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -12.992 5.651 2.693 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -12.364 2.624 2.562 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -11.770 3.676 3.868 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -12.719 2.222 4.259 1.00 0.00 H new ATOM 284 N VAL A 34 -14.509 2.496 6.225 1.00 0.00 N ATOM 285 CA VAL A 34 -14.159 1.547 7.275 1.00 0.00 C ATOM 286 C VAL A 34 -13.960 0.154 6.697 1.00 0.00 C ATOM 287 O VAL A 34 -14.825 -0.369 5.993 1.00 0.00 O ATOM 288 CB VAL A 34 -15.236 1.494 8.369 1.00 0.00 C ATOM 289 CG1 VAL A 34 -14.766 0.645 9.541 1.00 0.00 C ATOM 290 CG2 VAL A 34 -15.593 2.899 8.827 1.00 0.00 C ATOM 0 H VAL A 34 -15.357 2.259 5.710 1.00 0.00 H new ATOM 0 HA VAL A 34 -13.226 1.891 7.722 1.00 0.00 H new ATOM 0 HB VAL A 34 -16.131 1.031 7.954 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -15.542 0.619 10.306 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -14.562 -0.369 9.197 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -13.857 1.076 9.961 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -16.357 2.846 9.602 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -14.705 3.388 9.226 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -15.973 3.472 7.981 1.00 0.00 H new ATOM 300 N ILE A 35 -12.807 -0.436 6.987 1.00 0.00 N ATOM 301 CA ILE A 35 -12.479 -1.759 6.489 1.00 0.00 C ATOM 302 C ILE A 35 -12.380 -2.780 7.618 1.00 0.00 C ATOM 303 O ILE A 35 -12.056 -2.437 8.755 1.00 0.00 O ATOM 304 CB ILE A 35 -11.157 -1.740 5.712 1.00 0.00 C ATOM 305 CG1 ILE A 35 -10.109 -0.912 6.449 1.00 0.00 C ATOM 306 CG2 ILE A 35 -11.373 -1.205 4.303 1.00 0.00 C ATOM 307 CD1 ILE A 35 -8.726 -1.511 6.375 1.00 0.00 C ATOM 0 H ILE A 35 -12.083 -0.014 7.568 1.00 0.00 H new ATOM 0 HA ILE A 35 -13.289 -2.054 5.822 1.00 0.00 H new ATOM 0 HB ILE A 35 -10.789 -2.763 5.637 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -10.087 0.093 6.028 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -10.401 -0.814 7.495 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -10.424 -1.199 3.767 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -12.083 -1.843 3.777 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -11.767 -0.190 4.356 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -8.025 -0.877 6.918 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -8.736 -2.505 6.821 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -8.417 -1.584 5.332 1.00 0.00 H new ATOM 319 N VAL A 36 -12.661 -4.038 7.291 1.00 0.00 N ATOM 320 CA VAL A 36 -12.606 -5.120 8.269 1.00 0.00 C ATOM 321 C VAL A 36 -12.061 -6.401 7.638 1.00 0.00 C ATOM 322 O VAL A 36 -11.954 -6.504 6.420 1.00 0.00 O ATOM 323 CB VAL A 36 -13.997 -5.407 8.863 1.00 0.00 C ATOM 324 CG1 VAL A 36 -14.518 -4.192 9.614 1.00 0.00 C ATOM 325 CG2 VAL A 36 -14.972 -5.825 7.771 1.00 0.00 C ATOM 0 H VAL A 36 -12.930 -4.334 6.353 1.00 0.00 H new ATOM 0 HA VAL A 36 -11.937 -4.796 9.066 1.00 0.00 H new ATOM 0 HB VAL A 36 -13.905 -6.232 9.570 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -15.502 -4.414 10.027 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -13.832 -3.943 10.424 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -14.593 -3.346 8.930 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -15.949 -6.023 8.212 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -15.061 -5.024 7.037 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -14.605 -6.727 7.281 1.00 0.00 H new ATOM 335 N GLU A 37 -11.718 -7.376 8.473 1.00 0.00 N ATOM 336 CA GLU A 37 -11.188 -8.646 7.984 1.00 0.00 C ATOM 337 C GLU A 37 -12.183 -9.338 7.056 1.00 0.00 C ATOM 338 O GLU A 37 -13.362 -9.470 7.382 1.00 0.00 O ATOM 339 CB GLU A 37 -10.841 -9.563 9.157 1.00 0.00 C ATOM 340 CG GLU A 37 -9.597 -9.132 9.915 1.00 0.00 C ATOM 341 CD GLU A 37 -9.026 -10.241 10.778 1.00 0.00 C ATOM 342 OE1 GLU A 37 -9.062 -11.410 10.341 1.00 0.00 O ATOM 343 OE2 GLU A 37 -8.544 -9.939 11.890 1.00 0.00 O ATOM 0 H GLU A 37 -11.797 -7.313 9.488 1.00 0.00 H new ATOM 0 HA GLU A 37 -10.282 -8.435 7.416 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -11.685 -9.593 9.846 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -10.697 -10.577 8.785 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -8.839 -8.803 9.204 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -9.838 -8.275 10.544 1.00 0.00 H new ATOM 350 N SER A 38 -11.696 -9.774 5.897 1.00 0.00 N ATOM 351 CA SER A 38 -12.537 -10.450 4.914 1.00 0.00 C ATOM 352 C SER A 38 -12.944 -11.841 5.397 1.00 0.00 C ATOM 353 O SER A 38 -12.305 -12.839 5.064 1.00 0.00 O ATOM 354 CB SER A 38 -11.807 -10.549 3.574 1.00 0.00 C ATOM 355 OG SER A 38 -10.854 -11.598 3.581 1.00 0.00 O ATOM 0 H SER A 38 -10.721 -9.671 5.616 1.00 0.00 H new ATOM 0 HA SER A 38 -13.444 -9.860 4.783 1.00 0.00 H new ATOM 0 HB2 SER A 38 -12.530 -10.717 2.776 1.00 0.00 H new ATOM 0 HB3 SER A 38 -11.309 -9.604 3.359 1.00 0.00 H new ATOM 0 HG SER A 38 -11.298 -12.442 3.805 1.00 0.00 H new ATOM 361 N GLY A 39 -14.012 -11.897 6.185 1.00 0.00 N ATOM 362 CA GLY A 39 -14.488 -13.171 6.701 1.00 0.00 C ATOM 363 C GLY A 39 -15.301 -13.953 5.688 1.00 0.00 C ATOM 364 O GLY A 39 -15.671 -15.101 5.936 1.00 0.00 O ATOM 0 H GLY A 39 -14.557 -11.086 6.476 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -13.634 -13.771 7.015 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -15.096 -12.993 7.588 1.00 0.00 H new ATOM 368 N TRP A 40 -15.568 -13.338 4.540 1.00 0.00 N ATOM 369 CA TRP A 40 -16.326 -13.980 3.473 1.00 0.00 C ATOM 370 C TRP A 40 -15.679 -15.310 3.079 1.00 0.00 C ATOM 371 O TRP A 40 -14.835 -15.837 3.805 1.00 0.00 O ATOM 372 CB TRP A 40 -16.374 -13.049 2.262 1.00 0.00 C ATOM 373 CG TRP A 40 -15.017 -12.789 1.678 1.00 0.00 C ATOM 374 CD1 TRP A 40 -13.817 -12.858 2.328 1.00 0.00 C ATOM 375 CD2 TRP A 40 -14.719 -12.421 0.328 1.00 0.00 C ATOM 376 NE1 TRP A 40 -12.794 -12.564 1.465 1.00 0.00 N ATOM 377 CE2 TRP A 40 -13.320 -12.291 0.232 1.00 0.00 C ATOM 378 CE3 TRP A 40 -15.497 -12.193 -0.809 1.00 0.00 C ATOM 379 CZ2 TRP A 40 -12.685 -11.941 -0.952 1.00 0.00 C ATOM 380 CZ3 TRP A 40 -14.866 -11.844 -1.987 1.00 0.00 C ATOM 381 CH2 TRP A 40 -13.471 -11.721 -2.052 1.00 0.00 C ATOM 0 H TRP A 40 -15.267 -12.387 4.325 1.00 0.00 H new ATOM 0 HA TRP A 40 -17.338 -14.181 3.826 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -17.016 -13.486 1.498 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -16.827 -12.102 2.555 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -13.693 -13.108 3.371 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -11.802 -12.551 1.703 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -16.572 -12.288 -0.768 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -11.610 -11.846 -1.004 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -15.457 -11.663 -2.873 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -13.007 -11.447 -2.988 1.00 0.00 H new ATOM 392 N GLY A 41 -16.056 -15.841 1.918 1.00 0.00 N ATOM 393 CA GLY A 41 -15.473 -17.092 1.457 1.00 0.00 C ATOM 394 C GLY A 41 -13.956 -17.065 1.519 1.00 0.00 C ATOM 395 O GLY A 41 -13.308 -18.108 1.614 1.00 0.00 O ATOM 0 H GLY A 41 -16.749 -15.432 1.292 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -15.847 -17.914 2.068 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -15.791 -17.285 0.433 1.00 0.00 H new ATOM 399 N SER A 42 -13.397 -15.856 1.469 1.00 0.00 N ATOM 400 CA SER A 42 -11.953 -15.648 1.524 1.00 0.00 C ATOM 401 C SER A 42 -11.315 -15.856 0.173 1.00 0.00 C ATOM 402 O SER A 42 -10.186 -16.338 0.067 1.00 0.00 O ATOM 403 CB SER A 42 -11.290 -16.545 2.569 1.00 0.00 C ATOM 404 OG SER A 42 -12.207 -16.923 3.582 1.00 0.00 O ATOM 0 H SER A 42 -13.935 -14.993 1.389 1.00 0.00 H new ATOM 0 HA SER A 42 -11.795 -14.612 1.822 1.00 0.00 H new ATOM 0 HB2 SER A 42 -10.892 -17.437 2.085 1.00 0.00 H new ATOM 0 HB3 SER A 42 -10.446 -16.021 3.017 1.00 0.00 H new ATOM 0 HG SER A 42 -12.677 -17.738 3.310 1.00 0.00 H new ATOM 410 N ILE A 43 -12.029 -15.445 -0.855 1.00 0.00 N ATOM 411 CA ILE A 43 -11.535 -15.532 -2.207 1.00 0.00 C ATOM 412 C ILE A 43 -10.158 -14.877 -2.294 1.00 0.00 C ATOM 413 O ILE A 43 -9.266 -15.340 -3.005 1.00 0.00 O ATOM 414 CB ILE A 43 -12.507 -14.829 -3.147 1.00 0.00 C ATOM 415 CG1 ILE A 43 -13.876 -15.495 -3.068 1.00 0.00 C ATOM 416 CG2 ILE A 43 -11.983 -14.831 -4.564 1.00 0.00 C ATOM 417 CD1 ILE A 43 -14.984 -14.645 -3.631 1.00 0.00 C ATOM 0 H ILE A 43 -12.963 -15.044 -0.774 1.00 0.00 H new ATOM 0 HA ILE A 43 -11.448 -16.579 -2.498 1.00 0.00 H new ATOM 0 HB ILE A 43 -12.607 -13.789 -2.836 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -13.844 -16.442 -3.607 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -14.099 -15.729 -2.027 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -12.694 -14.324 -5.216 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -11.025 -14.312 -4.598 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -11.851 -15.859 -4.902 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -15.931 -15.177 -3.544 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -15.042 -13.709 -3.076 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -14.782 -14.433 -4.681 1.00 0.00 H new ATOM 429 N LEU A 44 -10.009 -13.801 -1.532 1.00 0.00 N ATOM 430 CA LEU A 44 -8.766 -13.046 -1.454 1.00 0.00 C ATOM 431 C LEU A 44 -8.624 -12.468 -0.046 1.00 0.00 C ATOM 432 O LEU A 44 -9.263 -11.471 0.280 1.00 0.00 O ATOM 433 CB LEU A 44 -8.751 -11.908 -2.479 1.00 0.00 C ATOM 434 CG LEU A 44 -9.332 -12.245 -3.857 1.00 0.00 C ATOM 435 CD1 LEU A 44 -10.773 -11.775 -3.959 1.00 0.00 C ATOM 436 CD2 LEU A 44 -8.488 -11.620 -4.957 1.00 0.00 C ATOM 0 H LEU A 44 -10.754 -13.425 -0.946 1.00 0.00 H new ATOM 0 HA LEU A 44 -7.933 -13.714 -1.674 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -9.307 -11.066 -2.067 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -7.721 -11.576 -2.611 1.00 0.00 H new ATOM 0 HG LEU A 44 -9.315 -13.328 -3.982 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -11.168 -12.023 -4.944 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -11.372 -12.268 -3.193 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -10.815 -10.696 -3.813 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -8.914 -11.869 -5.929 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -8.474 -10.537 -4.834 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -7.470 -12.005 -4.898 1.00 0.00 H new ATOM 448 N PRO A 45 -7.804 -13.096 0.815 1.00 0.00 N ATOM 449 CA PRO A 45 -7.612 -12.636 2.197 1.00 0.00 C ATOM 450 C PRO A 45 -7.254 -11.155 2.285 1.00 0.00 C ATOM 451 O PRO A 45 -6.084 -10.796 2.384 1.00 0.00 O ATOM 452 CB PRO A 45 -6.447 -13.491 2.696 1.00 0.00 C ATOM 453 CG PRO A 45 -6.513 -14.734 1.875 1.00 0.00 C ATOM 454 CD PRO A 45 -7.020 -14.311 0.523 1.00 0.00 C ATOM 0 HA PRO A 45 -8.525 -12.739 2.784 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -5.494 -12.979 2.563 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -6.545 -13.712 3.759 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -5.532 -15.201 1.795 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -7.179 -15.467 2.330 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -6.201 -14.105 -0.166 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -7.635 -15.085 0.065 1.00 0.00 H new ATOM 462 N THR A 46 -8.275 -10.301 2.254 1.00 0.00 N ATOM 463 CA THR A 46 -8.068 -8.856 2.335 1.00 0.00 C ATOM 464 C THR A 46 -9.048 -8.236 3.337 1.00 0.00 C ATOM 465 O THR A 46 -9.485 -8.903 4.274 1.00 0.00 O ATOM 466 CB THR A 46 -8.220 -8.204 0.945 1.00 0.00 C ATOM 467 OG1 THR A 46 -9.512 -7.643 0.780 1.00 0.00 O ATOM 468 CG2 THR A 46 -8.000 -9.153 -0.216 1.00 0.00 C ATOM 0 H THR A 46 -9.252 -10.583 2.174 1.00 0.00 H new ATOM 0 HA THR A 46 -7.052 -8.670 2.684 1.00 0.00 H new ATOM 0 HB THR A 46 -7.441 -7.442 0.923 1.00 0.00 H new ATOM 0 HG1 THR A 46 -9.447 -6.823 0.248 1.00 0.00 H new ATOM 0 HG21 THR A 46 -8.126 -8.614 -1.155 1.00 0.00 H new ATOM 0 HG22 THR A 46 -6.991 -9.563 -0.165 1.00 0.00 H new ATOM 0 HG23 THR A 46 -8.725 -9.965 -0.164 1.00 0.00 H new ATOM 476 N VAL A 47 -9.395 -6.965 3.137 1.00 0.00 N ATOM 477 CA VAL A 47 -10.327 -6.286 4.028 1.00 0.00 C ATOM 478 C VAL A 47 -11.649 -5.997 3.319 1.00 0.00 C ATOM 479 O VAL A 47 -11.742 -6.106 2.096 1.00 0.00 O ATOM 480 CB VAL A 47 -9.738 -4.971 4.566 1.00 0.00 C ATOM 481 CG1 VAL A 47 -8.606 -5.254 5.542 1.00 0.00 C ATOM 482 CG2 VAL A 47 -9.259 -4.090 3.424 1.00 0.00 C ATOM 0 H VAL A 47 -9.046 -6.390 2.370 1.00 0.00 H new ATOM 0 HA VAL A 47 -10.509 -6.956 4.869 1.00 0.00 H new ATOM 0 HB VAL A 47 -10.523 -4.435 5.100 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -8.201 -4.312 5.913 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -8.985 -5.840 6.379 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -7.819 -5.813 5.035 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -8.846 -3.165 3.827 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -8.489 -4.615 2.858 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -10.097 -3.858 2.767 1.00 0.00 H new ATOM 492 N ILE A 48 -12.672 -5.645 4.092 1.00 0.00 N ATOM 493 CA ILE A 48 -13.993 -5.362 3.533 1.00 0.00 C ATOM 494 C ILE A 48 -14.524 -4.003 3.975 1.00 0.00 C ATOM 495 O ILE A 48 -14.540 -3.693 5.165 1.00 0.00 O ATOM 496 CB ILE A 48 -15.037 -6.426 3.951 1.00 0.00 C ATOM 497 CG1 ILE A 48 -14.381 -7.625 4.630 1.00 0.00 C ATOM 498 CG2 ILE A 48 -15.837 -6.889 2.753 1.00 0.00 C ATOM 499 CD1 ILE A 48 -15.383 -8.557 5.275 1.00 0.00 C ATOM 0 H ILE A 48 -12.614 -5.549 5.106 1.00 0.00 H new ATOM 0 HA ILE A 48 -13.856 -5.374 2.452 1.00 0.00 H new ATOM 0 HB ILE A 48 -15.708 -5.955 4.670 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -13.798 -8.179 3.894 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -13.683 -7.270 5.388 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -16.565 -7.636 3.068 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -16.358 -6.039 2.312 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -15.165 -7.326 2.014 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -14.857 -9.390 5.741 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -15.949 -8.015 6.033 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -16.066 -8.938 4.516 1.00 0.00 H new ATOM 511 N ILE A 49 -15.003 -3.214 3.017 1.00 0.00 N ATOM 512 CA ILE A 49 -15.578 -1.926 3.318 1.00 0.00 C ATOM 513 C ILE A 49 -16.876 -2.133 4.071 1.00 0.00 C ATOM 514 O ILE A 49 -17.933 -2.341 3.478 1.00 0.00 O ATOM 515 CB ILE A 49 -15.836 -1.130 2.034 1.00 0.00 C ATOM 516 CG1 ILE A 49 -14.524 -0.940 1.279 1.00 0.00 C ATOM 517 CG2 ILE A 49 -16.476 0.209 2.349 1.00 0.00 C ATOM 518 CD1 ILE A 49 -14.694 -0.242 -0.047 1.00 0.00 C ATOM 0 H ILE A 49 -15.000 -3.454 2.026 1.00 0.00 H new ATOM 0 HA ILE A 49 -14.879 -1.357 3.931 1.00 0.00 H new ATOM 0 HB ILE A 49 -16.529 -1.688 1.405 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -13.836 -0.365 1.899 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -14.064 -1.914 1.113 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -16.650 0.756 1.422 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -17.426 0.047 2.858 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -15.813 0.787 2.993 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -13.723 -0.139 -0.531 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -15.357 -0.827 -0.684 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -15.125 0.746 0.115 1.00 0.00 H new ATOM 530 N ALA A 50 -16.769 -2.118 5.385 1.00 0.00 N ATOM 531 CA ALA A 50 -17.908 -2.345 6.249 1.00 0.00 C ATOM 532 C ALA A 50 -18.615 -1.047 6.625 1.00 0.00 C ATOM 533 O ALA A 50 -19.702 -1.073 7.203 1.00 0.00 O ATOM 534 CB ALA A 50 -17.442 -3.086 7.483 1.00 0.00 C ATOM 0 H ALA A 50 -15.894 -1.949 5.881 1.00 0.00 H new ATOM 0 HA ALA A 50 -18.640 -2.946 5.709 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -18.291 -3.264 8.143 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -17.004 -4.040 7.191 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -16.695 -2.489 8.006 1.00 0.00 H new ATOM 540 N ASN A 51 -18.004 0.086 6.295 1.00 0.00 N ATOM 541 CA ASN A 51 -18.604 1.379 6.606 1.00 0.00 C ATOM 542 C ASN A 51 -17.974 2.491 5.771 1.00 0.00 C ATOM 543 O ASN A 51 -16.877 2.335 5.235 1.00 0.00 O ATOM 544 CB ASN A 51 -18.460 1.689 8.098 1.00 0.00 C ATOM 545 CG ASN A 51 -19.798 1.822 8.797 1.00 0.00 C ATOM 546 OD1 ASN A 51 -20.845 1.521 8.223 1.00 0.00 O ATOM 547 ND2 ASN A 51 -19.770 2.274 10.046 1.00 0.00 N ATOM 0 H ASN A 51 -17.104 0.136 5.818 1.00 0.00 H new ATOM 0 HA ASN A 51 -19.664 1.327 6.358 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -17.882 0.898 8.576 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -17.897 2.614 8.220 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -20.639 2.384 10.568 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -18.879 2.511 10.483 1.00 0.00 H new ATOM 554 N MET A 52 -18.683 3.610 5.656 1.00 0.00 N ATOM 555 CA MET A 52 -18.197 4.744 4.879 1.00 0.00 C ATOM 556 C MET A 52 -18.759 6.059 5.413 1.00 0.00 C ATOM 557 O MET A 52 -19.881 6.108 5.917 1.00 0.00 O ATOM 558 CB MET A 52 -18.569 4.573 3.407 1.00 0.00 C ATOM 559 CG MET A 52 -17.434 4.896 2.448 1.00 0.00 C ATOM 560 SD MET A 52 -17.187 3.619 1.197 1.00 0.00 S ATOM 561 CE MET A 52 -18.881 3.195 0.796 1.00 0.00 C ATOM 0 H MET A 52 -19.594 3.755 6.090 1.00 0.00 H new ATOM 0 HA MET A 52 -17.111 4.776 4.972 1.00 0.00 H new ATOM 0 HB2 MET A 52 -18.892 3.546 3.240 1.00 0.00 H new ATOM 0 HB3 MET A 52 -19.419 5.216 3.179 1.00 0.00 H new ATOM 0 HG2 MET A 52 -17.641 5.846 1.955 1.00 0.00 H new ATOM 0 HG3 MET A 52 -16.512 5.026 3.015 1.00 0.00 H new ATOM 0 HE1 MET A 52 -19.063 2.149 1.044 1.00 0.00 H new ATOM 0 HE2 MET A 52 -19.560 3.827 1.369 1.00 0.00 H new ATOM 0 HE3 MET A 52 -19.053 3.351 -0.269 1.00 0.00 H new ATOM 571 N MET A 53 -17.970 7.123 5.298 1.00 0.00 N ATOM 572 CA MET A 53 -18.383 8.439 5.767 1.00 0.00 C ATOM 573 C MET A 53 -19.652 8.897 5.056 1.00 0.00 C ATOM 574 O MET A 53 -20.435 9.675 5.602 1.00 0.00 O ATOM 575 CB MET A 53 -17.263 9.458 5.543 1.00 0.00 C ATOM 576 CG MET A 53 -16.280 9.550 6.699 1.00 0.00 C ATOM 577 SD MET A 53 -15.485 11.166 6.810 1.00 0.00 S ATOM 578 CE MET A 53 -13.760 10.712 6.639 1.00 0.00 C ATOM 0 H MET A 53 -17.039 7.098 4.883 1.00 0.00 H new ATOM 0 HA MET A 53 -18.592 8.367 6.834 1.00 0.00 H new ATOM 0 HB2 MET A 53 -16.720 9.194 4.636 1.00 0.00 H new ATOM 0 HB3 MET A 53 -17.705 10.440 5.375 1.00 0.00 H new ATOM 0 HG2 MET A 53 -16.803 9.342 7.633 1.00 0.00 H new ATOM 0 HG3 MET A 53 -15.516 8.781 6.583 1.00 0.00 H new ATOM 0 HE1 MET A 53 -13.134 11.496 7.064 1.00 0.00 H new ATOM 0 HE2 MET A 53 -13.576 9.776 7.166 1.00 0.00 H new ATOM 0 HE3 MET A 53 -13.520 10.587 5.583 1.00 0.00 H new ATOM 588 N HIS A 54 -19.848 8.414 3.833 1.00 0.00 N ATOM 589 CA HIS A 54 -21.021 8.779 3.048 1.00 0.00 C ATOM 590 C HIS A 54 -21.058 10.283 2.802 1.00 0.00 C ATOM 591 O HIS A 54 -21.993 10.969 3.216 1.00 0.00 O ATOM 592 CB HIS A 54 -22.298 8.330 3.761 1.00 0.00 C ATOM 593 CG HIS A 54 -22.315 6.872 4.098 1.00 0.00 C ATOM 594 ND1 HIS A 54 -21.931 5.889 3.210 1.00 0.00 N ATOM 595 CD2 HIS A 54 -22.671 6.228 5.236 1.00 0.00 C ATOM 596 CE1 HIS A 54 -22.051 4.706 3.785 1.00 0.00 C ATOM 597 NE2 HIS A 54 -22.497 4.884 5.015 1.00 0.00 N ATOM 0 H HIS A 54 -19.210 7.770 3.365 1.00 0.00 H new ATOM 0 HA HIS A 54 -20.959 8.273 2.085 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -22.414 8.908 4.678 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -23.156 8.558 3.129 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -23.026 6.687 6.147 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -21.823 3.755 3.327 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -22.682 4.143 5.691 1.00 0.00 H new ATOM 606 N GLY A 55 -20.030 10.790 2.129 1.00 0.00 N ATOM 607 CA GLY A 55 -19.961 12.211 1.842 1.00 0.00 C ATOM 608 C GLY A 55 -18.605 12.624 1.311 1.00 0.00 C ATOM 609 O GLY A 55 -18.496 13.566 0.525 1.00 0.00 O ATOM 0 H GLY A 55 -19.244 10.243 1.778 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -20.729 12.470 1.113 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -20.180 12.774 2.749 1.00 0.00 H new ATOM 613 N GLY A 56 -17.567 11.913 1.736 1.00 0.00 N ATOM 614 CA GLY A 56 -16.223 12.218 1.285 1.00 0.00 C ATOM 615 C GLY A 56 -15.977 11.742 -0.133 1.00 0.00 C ATOM 616 O GLY A 56 -16.912 11.323 -0.816 1.00 0.00 O ATOM 0 H GLY A 56 -17.633 11.130 2.386 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -16.058 13.294 1.340 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -15.501 11.750 1.955 1.00 0.00 H new ATOM 620 N PRO A 57 -14.723 11.788 -0.607 1.00 0.00 N ATOM 621 CA PRO A 57 -14.381 11.346 -1.963 1.00 0.00 C ATOM 622 C PRO A 57 -14.652 9.861 -2.174 1.00 0.00 C ATOM 623 O PRO A 57 -14.727 9.390 -3.308 1.00 0.00 O ATOM 624 CB PRO A 57 -12.881 11.640 -2.075 1.00 0.00 C ATOM 625 CG PRO A 57 -12.397 11.719 -0.668 1.00 0.00 C ATOM 626 CD PRO A 57 -13.544 12.264 0.133 1.00 0.00 C ATOM 0 HA PRO A 57 -14.981 11.855 -2.717 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -12.365 10.854 -2.626 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -12.701 12.574 -2.607 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -12.097 10.737 -0.302 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -11.524 12.367 -0.591 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -13.533 11.892 1.157 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -13.515 13.352 0.189 1.00 0.00 H new ATOM 634 N ALA A 58 -14.800 9.124 -1.076 1.00 0.00 N ATOM 635 CA ALA A 58 -15.065 7.698 -1.149 1.00 0.00 C ATOM 636 C ALA A 58 -16.440 7.436 -1.747 1.00 0.00 C ATOM 637 O ALA A 58 -16.590 6.630 -2.664 1.00 0.00 O ATOM 638 CB ALA A 58 -14.955 7.067 0.232 1.00 0.00 C ATOM 0 H ALA A 58 -14.740 9.495 -0.128 1.00 0.00 H new ATOM 0 HA ALA A 58 -14.318 7.243 -1.799 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -15.156 5.998 0.161 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -13.950 7.222 0.624 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -15.680 7.529 0.902 1.00 0.00 H new ATOM 644 N GLU A 59 -17.442 8.134 -1.223 1.00 0.00 N ATOM 645 CA GLU A 59 -18.808 7.992 -1.705 1.00 0.00 C ATOM 646 C GLU A 59 -18.994 8.739 -3.021 1.00 0.00 C ATOM 647 O GLU A 59 -19.684 8.268 -3.925 1.00 0.00 O ATOM 648 CB GLU A 59 -19.797 8.521 -0.662 1.00 0.00 C ATOM 649 CG GLU A 59 -21.137 7.805 -0.675 1.00 0.00 C ATOM 650 CD GLU A 59 -22.269 8.695 -1.151 1.00 0.00 C ATOM 651 OE1 GLU A 59 -22.434 8.838 -2.381 1.00 0.00 O ATOM 652 OE2 GLU A 59 -22.991 9.247 -0.295 1.00 0.00 O ATOM 0 H GLU A 59 -17.332 8.805 -0.463 1.00 0.00 H new ATOM 0 HA GLU A 59 -19.002 6.933 -1.874 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -19.353 8.425 0.329 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -19.961 9.584 -0.836 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -21.071 6.930 -1.322 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -21.361 7.443 0.328 1.00 0.00 H new ATOM 659 N LYS A 60 -18.370 9.910 -3.120 1.00 0.00 N ATOM 660 CA LYS A 60 -18.460 10.730 -4.320 1.00 0.00 C ATOM 661 C LYS A 60 -18.005 9.950 -5.551 1.00 0.00 C ATOM 662 O LYS A 60 -18.663 9.975 -6.591 1.00 0.00 O ATOM 663 CB LYS A 60 -17.616 11.994 -4.162 1.00 0.00 C ATOM 664 CG LYS A 60 -18.245 13.028 -3.244 1.00 0.00 C ATOM 665 CD LYS A 60 -17.195 13.732 -2.400 1.00 0.00 C ATOM 666 CE LYS A 60 -17.313 15.245 -2.506 1.00 0.00 C ATOM 667 NZ LYS A 60 -16.683 15.935 -1.347 1.00 0.00 N ATOM 0 H LYS A 60 -17.795 10.312 -2.379 1.00 0.00 H new ATOM 0 HA LYS A 60 -19.504 11.012 -4.459 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -16.636 11.721 -3.772 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -17.456 12.440 -5.144 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -18.788 13.762 -3.839 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -18.973 12.544 -2.593 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -17.303 13.430 -1.358 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -16.201 13.421 -2.721 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -16.841 15.582 -3.429 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -18.365 15.523 -2.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -16.785 16.964 -1.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -17.150 15.634 -0.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -15.673 15.690 -1.304 1.00 0.00 H new ATOM 681 N SER A 61 -16.878 9.260 -5.422 1.00 0.00 N ATOM 682 CA SER A 61 -16.329 8.470 -6.518 1.00 0.00 C ATOM 683 C SER A 61 -17.350 7.455 -7.023 1.00 0.00 C ATOM 684 O SER A 61 -17.685 7.432 -8.207 1.00 0.00 O ATOM 685 CB SER A 61 -15.052 7.758 -6.066 1.00 0.00 C ATOM 686 OG SER A 61 -15.327 6.453 -5.586 1.00 0.00 O ATOM 0 H SER A 61 -16.324 9.232 -4.566 1.00 0.00 H new ATOM 0 HA SER A 61 -16.087 9.145 -7.339 1.00 0.00 H new ATOM 0 HB2 SER A 61 -14.352 7.700 -6.899 1.00 0.00 H new ATOM 0 HB3 SER A 61 -14.567 8.340 -5.282 1.00 0.00 H new ATOM 0 HG SER A 61 -15.639 6.505 -4.658 1.00 0.00 H new ATOM 692 N GLY A 62 -17.840 6.616 -6.117 1.00 0.00 N ATOM 693 CA GLY A 62 -18.815 5.610 -6.490 1.00 0.00 C ATOM 694 C GLY A 62 -18.182 4.255 -6.721 1.00 0.00 C ATOM 695 O GLY A 62 -18.815 3.220 -6.518 1.00 0.00 O ATOM 0 H GLY A 62 -17.579 6.615 -5.131 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -19.568 5.528 -5.706 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -19.332 5.926 -7.396 1.00 0.00 H new ATOM 699 N LYS A 63 -16.922 4.262 -7.148 1.00 0.00 N ATOM 700 CA LYS A 63 -16.199 3.025 -7.406 1.00 0.00 C ATOM 701 C LYS A 63 -16.087 2.189 -6.136 1.00 0.00 C ATOM 702 O LYS A 63 -16.026 0.960 -6.192 1.00 0.00 O ATOM 703 CB LYS A 63 -14.810 3.333 -7.958 1.00 0.00 C ATOM 704 CG LYS A 63 -14.840 3.937 -9.351 1.00 0.00 C ATOM 705 CD LYS A 63 -13.930 5.145 -9.451 1.00 0.00 C ATOM 706 CE LYS A 63 -14.670 6.425 -9.105 1.00 0.00 C ATOM 707 NZ LYS A 63 -13.774 7.614 -9.153 1.00 0.00 N ATOM 0 H LYS A 63 -16.383 5.110 -7.322 1.00 0.00 H new ATOM 0 HA LYS A 63 -16.755 2.450 -8.147 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -14.302 4.020 -7.282 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -14.223 2.415 -7.980 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -14.533 3.188 -10.081 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -15.860 4.227 -9.601 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -13.081 5.020 -8.778 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -13.528 5.217 -10.462 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -15.497 6.565 -9.801 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -15.103 6.336 -8.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -14.234 8.415 -8.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -12.878 7.393 -8.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -13.584 7.866 -10.144 1.00 0.00 H new ATOM 721 N LEU A 64 -16.065 2.864 -4.990 1.00 0.00 N ATOM 722 CA LEU A 64 -15.964 2.188 -3.703 1.00 0.00 C ATOM 723 C LEU A 64 -17.326 2.119 -3.021 1.00 0.00 C ATOM 724 O LEU A 64 -17.991 3.137 -2.837 1.00 0.00 O ATOM 725 CB LEU A 64 -14.967 2.913 -2.797 1.00 0.00 C ATOM 726 CG LEU A 64 -13.503 2.806 -3.227 1.00 0.00 C ATOM 727 CD1 LEU A 64 -12.639 3.748 -2.403 1.00 0.00 C ATOM 728 CD2 LEU A 64 -13.012 1.373 -3.093 1.00 0.00 C ATOM 0 H LEU A 64 -16.116 3.881 -4.928 1.00 0.00 H new ATOM 0 HA LEU A 64 -15.610 1.172 -3.881 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -15.240 3.967 -2.752 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -15.063 2.516 -1.786 1.00 0.00 H new ATOM 0 HG LEU A 64 -13.427 3.097 -4.275 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -11.600 3.660 -2.721 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -12.978 4.774 -2.549 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -12.719 3.486 -1.348 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -11.969 1.315 -3.403 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -13.100 1.054 -2.054 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -13.615 0.721 -3.725 1.00 0.00 H new ATOM 740 N ASN A 65 -17.736 0.912 -2.646 1.00 0.00 N ATOM 741 CA ASN A 65 -19.018 0.713 -1.984 1.00 0.00 C ATOM 742 C ASN A 65 -18.922 -0.390 -0.935 1.00 0.00 C ATOM 743 O ASN A 65 -18.161 -1.343 -1.091 1.00 0.00 O ATOM 744 CB ASN A 65 -20.098 0.365 -3.010 1.00 0.00 C ATOM 745 CG ASN A 65 -20.146 1.359 -4.154 1.00 0.00 C ATOM 746 OD1 ASN A 65 -20.811 2.391 -4.066 1.00 0.00 O ATOM 747 ND2 ASN A 65 -19.443 1.050 -5.238 1.00 0.00 N ATOM 0 H ASN A 65 -17.198 0.057 -2.790 1.00 0.00 H new ATOM 0 HA ASN A 65 -19.289 1.643 -1.484 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -19.911 -0.633 -3.406 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -21.069 0.335 -2.516 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -19.440 1.679 -6.041 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -18.906 0.183 -5.268 1.00 0.00 H new ATOM 754 N ILE A 66 -19.700 -0.254 0.137 1.00 0.00 N ATOM 755 CA ILE A 66 -19.703 -1.237 1.209 1.00 0.00 C ATOM 756 C ILE A 66 -19.880 -2.653 0.673 1.00 0.00 C ATOM 757 O ILE A 66 -20.563 -2.870 -0.327 1.00 0.00 O ATOM 758 CB ILE A 66 -20.806 -0.913 2.221 1.00 0.00 C ATOM 759 CG1 ILE A 66 -20.571 0.488 2.770 1.00 0.00 C ATOM 760 CG2 ILE A 66 -20.838 -1.936 3.352 1.00 0.00 C ATOM 761 CD1 ILE A 66 -19.229 0.650 3.444 1.00 0.00 C ATOM 0 H ILE A 66 -20.336 0.530 0.283 1.00 0.00 H new ATOM 0 HA ILE A 66 -18.734 -1.189 1.706 1.00 0.00 H new ATOM 0 HB ILE A 66 -21.774 -0.956 1.721 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -20.649 1.208 1.955 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -21.359 0.728 3.484 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -21.631 -1.678 4.054 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -21.026 -2.928 2.940 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -19.880 -1.934 3.871 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -19.127 1.671 3.812 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -19.155 -0.046 4.280 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -18.434 0.442 2.727 1.00 0.00 H new ATOM 773 N GLY A 67 -19.250 -3.610 1.343 1.00 0.00 N ATOM 774 CA GLY A 67 -19.336 -4.994 0.919 1.00 0.00 C ATOM 775 C GLY A 67 -18.346 -5.320 -0.182 1.00 0.00 C ATOM 776 O GLY A 67 -18.521 -6.295 -0.913 1.00 0.00 O ATOM 0 H GLY A 67 -18.680 -3.452 2.174 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -19.154 -5.646 1.773 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -20.347 -5.203 0.569 1.00 0.00 H new ATOM 780 N ASP A 68 -17.300 -4.505 -0.299 1.00 0.00 N ATOM 781 CA ASP A 68 -16.279 -4.713 -1.318 1.00 0.00 C ATOM 782 C ASP A 68 -15.028 -5.338 -0.707 1.00 0.00 C ATOM 783 O ASP A 68 -14.940 -5.507 0.509 1.00 0.00 O ATOM 784 CB ASP A 68 -15.925 -3.385 -1.992 1.00 0.00 C ATOM 785 CG ASP A 68 -16.699 -3.168 -3.278 1.00 0.00 C ATOM 786 OD1 ASP A 68 -16.386 -3.843 -4.280 1.00 0.00 O ATOM 787 OD2 ASP A 68 -17.617 -2.322 -3.284 1.00 0.00 O ATOM 0 H ASP A 68 -17.139 -3.695 0.300 1.00 0.00 H new ATOM 0 HA ASP A 68 -16.678 -5.396 -2.068 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -16.130 -2.565 -1.304 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -14.856 -3.362 -2.205 1.00 0.00 H new ATOM 792 N GLN A 69 -14.067 -5.688 -1.556 1.00 0.00 N ATOM 793 CA GLN A 69 -12.828 -6.301 -1.091 1.00 0.00 C ATOM 794 C GLN A 69 -11.609 -5.597 -1.683 1.00 0.00 C ATOM 795 O GLN A 69 -11.318 -5.735 -2.868 1.00 0.00 O ATOM 796 CB GLN A 69 -12.812 -7.782 -1.462 1.00 0.00 C ATOM 797 CG GLN A 69 -13.236 -8.696 -0.329 1.00 0.00 C ATOM 798 CD GLN A 69 -12.133 -8.927 0.679 1.00 0.00 C ATOM 799 OE1 GLN A 69 -12.219 -8.481 1.820 1.00 0.00 O ATOM 800 NE2 GLN A 69 -11.088 -9.631 0.259 1.00 0.00 N ATOM 0 H GLN A 69 -14.122 -5.558 -2.566 1.00 0.00 H new ATOM 0 HA GLN A 69 -12.781 -6.200 -0.007 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -13.473 -7.942 -2.314 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -11.807 -8.057 -1.783 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -14.100 -8.264 0.177 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -13.553 -9.654 -0.740 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -11.061 -9.981 -0.699 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -10.313 -9.821 0.894 1.00 0.00 H new ATOM 809 N ILE A 70 -10.898 -4.844 -0.852 1.00 0.00 N ATOM 810 CA ILE A 70 -9.716 -4.123 -1.307 1.00 0.00 C ATOM 811 C ILE A 70 -8.463 -4.985 -1.184 1.00 0.00 C ATOM 812 O ILE A 70 -8.244 -5.634 -0.164 1.00 0.00 O ATOM 813 CB ILE A 70 -9.516 -2.818 -0.513 1.00 0.00 C ATOM 814 CG1 ILE A 70 -10.809 -1.999 -0.519 1.00 0.00 C ATOM 815 CG2 ILE A 70 -8.364 -2.010 -1.093 1.00 0.00 C ATOM 816 CD1 ILE A 70 -11.034 -1.214 0.755 1.00 0.00 C ATOM 0 H ILE A 70 -11.118 -4.717 0.136 1.00 0.00 H new ATOM 0 HA ILE A 70 -9.878 -3.877 -2.357 1.00 0.00 H new ATOM 0 HB ILE A 70 -9.267 -3.069 0.518 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -10.788 -1.309 -1.362 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -11.654 -2.670 -0.677 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -8.238 -1.092 -0.519 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -7.447 -2.597 -1.044 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -8.581 -1.761 -2.132 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -11.968 -0.658 0.680 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -11.087 -1.900 1.600 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -10.209 -0.518 0.904 1.00 0.00 H new ATOM 828 N MET A 71 -7.644 -4.990 -2.235 1.00 0.00 N ATOM 829 CA MET A 71 -6.414 -5.778 -2.244 1.00 0.00 C ATOM 830 C MET A 71 -5.206 -4.928 -1.864 1.00 0.00 C ATOM 831 O MET A 71 -4.622 -5.103 -0.797 1.00 0.00 O ATOM 832 CB MET A 71 -6.185 -6.402 -3.622 1.00 0.00 C ATOM 833 CG MET A 71 -6.940 -7.699 -3.830 1.00 0.00 C ATOM 834 SD MET A 71 -8.709 -7.442 -4.038 1.00 0.00 S ATOM 835 CE MET A 71 -9.343 -8.923 -3.264 1.00 0.00 C ATOM 0 H MET A 71 -7.810 -4.458 -3.089 1.00 0.00 H new ATOM 0 HA MET A 71 -6.529 -6.569 -1.503 1.00 0.00 H new ATOM 0 HB2 MET A 71 -6.485 -5.689 -4.390 1.00 0.00 H new ATOM 0 HB3 MET A 71 -5.119 -6.585 -3.757 1.00 0.00 H new ATOM 0 HG2 MET A 71 -6.545 -8.209 -4.709 1.00 0.00 H new ATOM 0 HG3 MET A 71 -6.769 -8.356 -2.977 1.00 0.00 H new ATOM 0 HE1 MET A 71 -9.979 -9.458 -3.969 1.00 0.00 H new ATOM 0 HE2 MET A 71 -8.512 -9.563 -2.968 1.00 0.00 H new ATOM 0 HE3 MET A 71 -9.925 -8.653 -2.383 1.00 0.00 H new ATOM 845 N SER A 72 -4.827 -4.015 -2.755 1.00 0.00 N ATOM 846 CA SER A 72 -3.677 -3.149 -2.517 1.00 0.00 C ATOM 847 C SER A 72 -4.030 -1.683 -2.752 1.00 0.00 C ATOM 848 O SER A 72 -4.821 -1.358 -3.637 1.00 0.00 O ATOM 849 CB SER A 72 -2.517 -3.556 -3.427 1.00 0.00 C ATOM 850 OG SER A 72 -1.362 -2.780 -3.159 1.00 0.00 O ATOM 0 H SER A 72 -5.298 -3.857 -3.646 1.00 0.00 H new ATOM 0 HA SER A 72 -3.379 -3.264 -1.475 1.00 0.00 H new ATOM 0 HB2 SER A 72 -2.291 -4.612 -3.283 1.00 0.00 H new ATOM 0 HB3 SER A 72 -2.808 -3.432 -4.470 1.00 0.00 H new ATOM 0 HG SER A 72 -0.560 -3.319 -3.322 1.00 0.00 H new ATOM 856 N ILE A 73 -3.432 -0.803 -1.953 1.00 0.00 N ATOM 857 CA ILE A 73 -3.671 0.625 -2.069 1.00 0.00 C ATOM 858 C ILE A 73 -2.409 1.353 -2.521 1.00 0.00 C ATOM 859 O ILE A 73 -1.433 1.444 -1.777 1.00 0.00 O ATOM 860 CB ILE A 73 -4.148 1.216 -0.730 1.00 0.00 C ATOM 861 CG1 ILE A 73 -5.461 0.562 -0.296 1.00 0.00 C ATOM 862 CG2 ILE A 73 -4.313 2.723 -0.839 1.00 0.00 C ATOM 863 CD1 ILE A 73 -5.401 -0.043 1.088 1.00 0.00 C ATOM 0 H ILE A 73 -2.776 -1.060 -1.216 1.00 0.00 H new ATOM 0 HA ILE A 73 -4.452 0.765 -2.817 1.00 0.00 H new ATOM 0 HB ILE A 73 -3.392 1.009 0.027 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -6.256 1.307 -0.325 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -5.726 -0.215 -1.013 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -4.651 3.122 0.117 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -3.357 3.175 -1.104 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -5.049 2.954 -1.609 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -6.365 -0.489 1.332 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -4.628 -0.811 1.116 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -5.167 0.735 1.815 1.00 0.00 H new ATOM 875 N ASN A 74 -2.434 1.867 -3.745 1.00 0.00 N ATOM 876 CA ASN A 74 -1.293 2.587 -4.298 1.00 0.00 C ATOM 877 C ASN A 74 -0.039 1.715 -4.303 1.00 0.00 C ATOM 878 O ASN A 74 1.081 2.226 -4.332 1.00 0.00 O ATOM 879 CB ASN A 74 -1.035 3.864 -3.498 1.00 0.00 C ATOM 880 CG ASN A 74 -2.121 4.901 -3.699 1.00 0.00 C ATOM 881 OD1 ASN A 74 -2.304 5.421 -4.799 1.00 0.00 O ATOM 882 ND2 ASN A 74 -2.848 5.209 -2.631 1.00 0.00 N ATOM 0 H ASN A 74 -3.234 1.798 -4.375 1.00 0.00 H new ATOM 0 HA ASN A 74 -1.531 2.850 -5.329 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -0.963 3.618 -2.439 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -0.074 4.286 -3.793 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -3.593 5.902 -2.704 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -2.661 4.753 -1.738 1.00 0.00 H new ATOM 889 N GLY A 75 -0.231 0.398 -4.281 1.00 0.00 N ATOM 890 CA GLY A 75 0.900 -0.515 -4.290 1.00 0.00 C ATOM 891 C GLY A 75 0.985 -1.361 -3.033 1.00 0.00 C ATOM 892 O GLY A 75 1.403 -2.518 -3.088 1.00 0.00 O ATOM 0 H GLY A 75 -1.146 -0.052 -4.257 1.00 0.00 H new ATOM 0 HA2 GLY A 75 0.825 -1.170 -5.158 1.00 0.00 H new ATOM 0 HA3 GLY A 75 1.821 0.057 -4.400 1.00 0.00 H new ATOM 896 N THR A 76 0.592 -0.788 -1.901 1.00 0.00 N ATOM 897 CA THR A 76 0.633 -1.503 -0.631 1.00 0.00 C ATOM 898 C THR A 76 -0.344 -2.675 -0.632 1.00 0.00 C ATOM 899 O THR A 76 -1.552 -2.487 -0.494 1.00 0.00 O ATOM 900 CB THR A 76 0.309 -0.556 0.521 1.00 0.00 C ATOM 901 OG1 THR A 76 0.948 0.694 0.336 1.00 0.00 O ATOM 902 CG2 THR A 76 0.731 -1.093 1.873 1.00 0.00 C ATOM 0 H THR A 76 0.242 0.168 -1.837 1.00 0.00 H new ATOM 0 HA THR A 76 1.641 -1.895 -0.497 1.00 0.00 H new ATOM 0 HB THR A 76 -0.776 -0.450 0.513 1.00 0.00 H new ATOM 0 HG1 THR A 76 0.727 1.288 1.083 1.00 0.00 H new ATOM 0 HG21 THR A 76 0.472 -0.372 2.648 1.00 0.00 H new ATOM 0 HG22 THR A 76 0.217 -2.034 2.067 1.00 0.00 H new ATOM 0 HG23 THR A 76 1.808 -1.260 1.878 1.00 0.00 H new ATOM 910 N SER A 77 0.189 -3.880 -0.795 1.00 0.00 N ATOM 911 CA SER A 77 -0.634 -5.085 -0.820 1.00 0.00 C ATOM 912 C SER A 77 -1.234 -5.375 0.552 1.00 0.00 C ATOM 913 O SER A 77 -0.549 -5.294 1.572 1.00 0.00 O ATOM 914 CB SER A 77 0.194 -6.282 -1.290 1.00 0.00 C ATOM 915 OG SER A 77 1.547 -6.158 -0.882 1.00 0.00 O ATOM 0 H SER A 77 1.188 -4.050 -0.912 1.00 0.00 H new ATOM 0 HA SER A 77 -1.452 -4.916 -1.520 1.00 0.00 H new ATOM 0 HB2 SER A 77 -0.228 -7.202 -0.885 1.00 0.00 H new ATOM 0 HB3 SER A 77 0.144 -6.359 -2.376 1.00 0.00 H new ATOM 0 HG SER A 77 2.055 -6.936 -1.193 1.00 0.00 H new ATOM 921 N LEU A 78 -2.520 -5.718 0.565 1.00 0.00 N ATOM 922 CA LEU A 78 -3.220 -6.027 1.809 1.00 0.00 C ATOM 923 C LEU A 78 -3.606 -7.502 1.870 1.00 0.00 C ATOM 924 O LEU A 78 -3.871 -8.039 2.946 1.00 0.00 O ATOM 925 CB LEU A 78 -4.478 -5.168 1.939 1.00 0.00 C ATOM 926 CG LEU A 78 -4.281 -3.677 1.672 1.00 0.00 C ATOM 927 CD1 LEU A 78 -5.616 -2.945 1.733 1.00 0.00 C ATOM 928 CD2 LEU A 78 -3.296 -3.085 2.668 1.00 0.00 C ATOM 0 H LEU A 78 -3.098 -5.789 -0.272 1.00 0.00 H new ATOM 0 HA LEU A 78 -2.543 -5.808 2.634 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -5.230 -5.548 1.248 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -4.879 -5.290 2.945 1.00 0.00 H new ATOM 0 HG LEU A 78 -3.869 -3.554 0.670 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -5.458 -1.884 1.541 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -6.290 -3.354 0.980 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -6.056 -3.073 2.722 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -3.167 -2.022 2.464 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -3.679 -3.216 3.680 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -2.335 -3.592 2.575 1.00 0.00 H new ATOM 940 N VAL A 79 -3.649 -8.151 0.710 1.00 0.00 N ATOM 941 CA VAL A 79 -4.016 -9.558 0.635 1.00 0.00 C ATOM 942 C VAL A 79 -3.116 -10.423 1.516 1.00 0.00 C ATOM 943 O VAL A 79 -2.100 -10.943 1.055 1.00 0.00 O ATOM 944 CB VAL A 79 -3.943 -10.078 -0.813 1.00 0.00 C ATOM 945 CG1 VAL A 79 -4.462 -11.506 -0.897 1.00 0.00 C ATOM 946 CG2 VAL A 79 -4.721 -9.164 -1.751 1.00 0.00 C ATOM 0 H VAL A 79 -3.434 -7.723 -0.190 1.00 0.00 H new ATOM 0 HA VAL A 79 -5.042 -9.630 0.995 1.00 0.00 H new ATOM 0 HB VAL A 79 -2.899 -10.077 -1.126 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -4.402 -11.855 -1.928 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -3.857 -12.151 -0.260 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -5.499 -11.536 -0.563 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -4.657 -9.548 -2.769 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -5.765 -9.129 -1.441 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -4.298 -8.160 -1.715 1.00 0.00 H new ATOM 956 N GLY A 80 -3.498 -10.583 2.782 1.00 0.00 N ATOM 957 CA GLY A 80 -2.711 -11.399 3.691 1.00 0.00 C ATOM 958 C GLY A 80 -2.533 -10.772 5.062 1.00 0.00 C ATOM 959 O GLY A 80 -2.752 -11.426 6.081 1.00 0.00 O ATOM 0 H GLY A 80 -4.333 -10.165 3.192 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -3.191 -12.371 3.804 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -1.730 -11.577 3.251 1.00 0.00 H new ATOM 963 N LEU A 81 -2.122 -9.508 5.092 1.00 0.00 N ATOM 964 CA LEU A 81 -1.903 -8.808 6.356 1.00 0.00 C ATOM 965 C LEU A 81 -3.203 -8.646 7.140 1.00 0.00 C ATOM 966 O LEU A 81 -4.295 -8.735 6.579 1.00 0.00 O ATOM 967 CB LEU A 81 -1.258 -7.436 6.123 1.00 0.00 C ATOM 968 CG LEU A 81 -1.669 -6.719 4.835 1.00 0.00 C ATOM 969 CD1 LEU A 81 -1.794 -5.222 5.076 1.00 0.00 C ATOM 970 CD2 LEU A 81 -0.665 -7.001 3.727 1.00 0.00 C ATOM 0 H LEU A 81 -1.934 -8.948 4.260 1.00 0.00 H new ATOM 0 HA LEU A 81 -1.221 -9.420 6.947 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.501 -6.793 6.969 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -0.175 -7.560 6.118 1.00 0.00 H new ATOM 0 HG LEU A 81 -2.642 -7.098 4.522 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -2.087 -4.728 4.150 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -2.549 -5.038 5.840 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -0.835 -4.826 5.411 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.972 -6.484 2.818 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.321 -6.648 4.030 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -0.624 -8.074 3.538 1.00 0.00 H new ATOM 982 N PRO A 82 -3.096 -8.409 8.462 1.00 0.00 N ATOM 983 CA PRO A 82 -4.260 -8.239 9.342 1.00 0.00 C ATOM 984 C PRO A 82 -5.081 -6.999 8.998 1.00 0.00 C ATOM 985 O PRO A 82 -4.783 -6.291 8.039 1.00 0.00 O ATOM 986 CB PRO A 82 -3.644 -8.099 10.737 1.00 0.00 C ATOM 987 CG PRO A 82 -2.246 -7.647 10.491 1.00 0.00 C ATOM 988 CD PRO A 82 -1.827 -8.297 9.206 1.00 0.00 C ATOM 0 HA PRO A 82 -4.955 -9.073 9.250 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -4.193 -7.377 11.341 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -3.665 -9.046 11.276 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -2.194 -6.561 10.415 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -1.590 -7.941 11.310 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -1.096 -7.694 8.668 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -1.372 -9.273 9.377 1.00 0.00 H new ATOM 996 N LEU A 83 -6.121 -6.751 9.788 1.00 0.00 N ATOM 997 CA LEU A 83 -7.000 -5.606 9.574 1.00 0.00 C ATOM 998 C LEU A 83 -6.374 -4.312 10.081 1.00 0.00 C ATOM 999 O LEU A 83 -6.337 -3.310 9.367 1.00 0.00 O ATOM 1000 CB LEU A 83 -8.342 -5.841 10.270 1.00 0.00 C ATOM 1001 CG LEU A 83 -9.423 -4.792 9.993 1.00 0.00 C ATOM 1002 CD1 LEU A 83 -9.370 -3.679 11.027 1.00 0.00 C ATOM 1003 CD2 LEU A 83 -9.294 -4.223 8.586 1.00 0.00 C ATOM 0 H LEU A 83 -6.377 -7.331 10.587 1.00 0.00 H new ATOM 0 HA LEU A 83 -7.156 -5.503 8.500 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -8.722 -6.817 9.968 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -8.171 -5.885 11.346 1.00 0.00 H new ATOM 0 HG LEU A 83 -10.392 -5.286 10.067 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -10.146 -2.945 10.811 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -9.532 -4.097 12.020 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -8.394 -3.196 10.992 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -10.075 -3.481 8.420 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -8.317 -3.753 8.472 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -9.397 -5.027 7.857 1.00 0.00 H new ATOM 1015 N SER A 84 -5.886 -4.333 11.317 1.00 0.00 N ATOM 1016 CA SER A 84 -5.269 -3.150 11.910 1.00 0.00 C ATOM 1017 C SER A 84 -4.174 -2.604 11.000 1.00 0.00 C ATOM 1018 O SER A 84 -4.045 -1.391 10.819 1.00 0.00 O ATOM 1019 CB SER A 84 -4.687 -3.486 13.283 1.00 0.00 C ATOM 1020 OG SER A 84 -5.675 -3.390 14.295 1.00 0.00 O ATOM 0 H SER A 84 -5.905 -5.151 11.926 1.00 0.00 H new ATOM 0 HA SER A 84 -6.038 -2.386 12.029 1.00 0.00 H new ATOM 0 HB2 SER A 84 -4.274 -4.494 13.269 1.00 0.00 H new ATOM 0 HB3 SER A 84 -3.864 -2.807 13.508 1.00 0.00 H new ATOM 0 HG SER A 84 -5.277 -3.611 15.163 1.00 0.00 H new ATOM 1026 N THR A 85 -3.395 -3.510 10.425 1.00 0.00 N ATOM 1027 CA THR A 85 -2.316 -3.124 9.530 1.00 0.00 C ATOM 1028 C THR A 85 -2.859 -2.431 8.285 1.00 0.00 C ATOM 1029 O THR A 85 -2.371 -1.372 7.903 1.00 0.00 O ATOM 1030 CB THR A 85 -1.489 -4.348 9.139 1.00 0.00 C ATOM 1031 OG1 THR A 85 -0.819 -4.884 10.268 1.00 0.00 O ATOM 1032 CG2 THR A 85 -0.439 -4.058 8.084 1.00 0.00 C ATOM 0 H THR A 85 -3.491 -4.516 10.563 1.00 0.00 H new ATOM 0 HA THR A 85 -1.674 -2.418 10.057 1.00 0.00 H new ATOM 0 HB THR A 85 -2.208 -5.056 8.728 1.00 0.00 H new ATOM 0 HG1 THR A 85 -0.348 -5.704 10.010 1.00 0.00 H new ATOM 0 HG21 THR A 85 0.109 -4.972 7.856 1.00 0.00 H new ATOM 0 HG22 THR A 85 -0.924 -3.690 7.180 1.00 0.00 H new ATOM 0 HG23 THR A 85 0.253 -3.303 8.457 1.00 0.00 H new ATOM 1040 N CYS A 86 -3.872 -3.030 7.656 1.00 0.00 N ATOM 1041 CA CYS A 86 -4.465 -2.454 6.450 1.00 0.00 C ATOM 1042 C CYS A 86 -4.939 -1.026 6.695 1.00 0.00 C ATOM 1043 O CYS A 86 -4.558 -0.100 5.975 1.00 0.00 O ATOM 1044 CB CYS A 86 -5.637 -3.310 5.971 1.00 0.00 C ATOM 1045 SG CYS A 86 -5.180 -4.998 5.512 1.00 0.00 S ATOM 0 H CYS A 86 -4.295 -3.907 7.959 1.00 0.00 H new ATOM 0 HA CYS A 86 -3.694 -2.434 5.679 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -6.389 -3.350 6.759 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -6.100 -2.824 5.112 1.00 0.00 H new ATOM 0 HG CYS A 86 -5.277 -5.772 6.552 1.00 0.00 H new ATOM 1051 N GLN A 87 -5.769 -0.844 7.718 1.00 0.00 N ATOM 1052 CA GLN A 87 -6.282 0.478 8.049 1.00 0.00 C ATOM 1053 C GLN A 87 -5.141 1.485 8.109 1.00 0.00 C ATOM 1054 O GLN A 87 -5.217 2.561 7.516 1.00 0.00 O ATOM 1055 CB GLN A 87 -7.036 0.442 9.379 1.00 0.00 C ATOM 1056 CG GLN A 87 -8.417 -0.184 9.268 1.00 0.00 C ATOM 1057 CD GLN A 87 -9.088 -0.374 10.614 1.00 0.00 C ATOM 1058 OE1 GLN A 87 -10.231 0.036 10.814 1.00 0.00 O ATOM 1059 NE2 GLN A 87 -8.380 -1.004 11.543 1.00 0.00 N ATOM 0 H GLN A 87 -6.098 -1.592 8.328 1.00 0.00 H new ATOM 0 HA GLN A 87 -6.978 0.787 7.269 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -6.448 -0.117 10.107 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -7.134 1.458 9.761 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -9.047 0.446 8.639 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -8.334 -1.150 8.770 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -7.436 -1.327 11.333 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -8.780 -1.165 12.467 1.00 0.00 H new ATOM 1068 N SER A 88 -4.073 1.120 8.814 1.00 0.00 N ATOM 1069 CA SER A 88 -2.909 1.985 8.931 1.00 0.00 C ATOM 1070 C SER A 88 -2.361 2.336 7.550 1.00 0.00 C ATOM 1071 O SER A 88 -1.881 3.449 7.322 1.00 0.00 O ATOM 1072 CB SER A 88 -1.823 1.307 9.769 1.00 0.00 C ATOM 1073 OG SER A 88 -0.752 2.196 10.035 1.00 0.00 O ATOM 0 H SER A 88 -3.992 0.233 9.311 1.00 0.00 H new ATOM 0 HA SER A 88 -3.215 2.905 9.429 1.00 0.00 H new ATOM 0 HB2 SER A 88 -2.250 0.957 10.709 1.00 0.00 H new ATOM 0 HB3 SER A 88 -1.448 0.429 9.242 1.00 0.00 H new ATOM 0 HG SER A 88 -0.073 1.738 10.573 1.00 0.00 H new ATOM 1079 N ILE A 89 -2.445 1.378 6.629 1.00 0.00 N ATOM 1080 CA ILE A 89 -1.965 1.582 5.267 1.00 0.00 C ATOM 1081 C ILE A 89 -2.681 2.754 4.609 1.00 0.00 C ATOM 1082 O ILE A 89 -2.048 3.623 4.009 1.00 0.00 O ATOM 1083 CB ILE A 89 -2.180 0.329 4.391 1.00 0.00 C ATOM 1084 CG1 ILE A 89 -1.599 -0.916 5.067 1.00 0.00 C ATOM 1085 CG2 ILE A 89 -1.570 0.529 3.010 1.00 0.00 C ATOM 1086 CD1 ILE A 89 -0.100 -1.056 4.922 1.00 0.00 C ATOM 0 H ILE A 89 -2.841 0.454 6.803 1.00 0.00 H new ATOM 0 HA ILE A 89 -0.897 1.789 5.342 1.00 0.00 H new ATOM 0 HB ILE A 89 -3.253 0.177 4.272 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -1.850 -0.891 6.127 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -2.078 -1.801 4.647 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -1.732 -0.365 2.408 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -2.041 1.384 2.525 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -0.500 0.712 3.108 1.00 0.00 H new ATOM 0 HD11 ILE A 89 0.231 -1.963 5.428 1.00 0.00 H new ATOM 0 HD12 ILE A 89 0.159 -1.115 3.865 1.00 0.00 H new ATOM 0 HD13 ILE A 89 0.391 -0.191 5.368 1.00 0.00 H new ATOM 1098 N ILE A 90 -4.004 2.762 4.709 1.00 0.00 N ATOM 1099 CA ILE A 90 -4.804 3.809 4.109 1.00 0.00 C ATOM 1100 C ILE A 90 -4.585 5.162 4.786 1.00 0.00 C ATOM 1101 O ILE A 90 -4.333 6.159 4.112 1.00 0.00 O ATOM 1102 CB ILE A 90 -6.295 3.449 4.157 1.00 0.00 C ATOM 1103 CG1 ILE A 90 -6.519 2.035 3.614 1.00 0.00 C ATOM 1104 CG2 ILE A 90 -7.089 4.457 3.357 1.00 0.00 C ATOM 1105 CD1 ILE A 90 -7.855 1.441 4.003 1.00 0.00 C ATOM 0 H ILE A 90 -4.542 2.050 5.203 1.00 0.00 H new ATOM 0 HA ILE A 90 -4.482 3.894 3.071 1.00 0.00 H new ATOM 0 HB ILE A 90 -6.635 3.474 5.192 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -6.443 2.056 2.527 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -5.723 1.385 3.977 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -8.147 4.198 3.393 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -6.944 5.452 3.779 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -6.749 4.449 2.321 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -7.944 0.439 3.583 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -7.927 1.387 5.089 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -8.658 2.068 3.617 1.00 0.00 H new ATOM 1117 N LYS A 91 -4.683 5.203 6.112 1.00 0.00 N ATOM 1118 CA LYS A 91 -4.491 6.460 6.831 1.00 0.00 C ATOM 1119 C LYS A 91 -3.088 7.012 6.606 1.00 0.00 C ATOM 1120 O LYS A 91 -2.838 8.202 6.800 1.00 0.00 O ATOM 1121 CB LYS A 91 -4.760 6.305 8.328 1.00 0.00 C ATOM 1122 CG LYS A 91 -4.158 5.060 8.950 1.00 0.00 C ATOM 1123 CD LYS A 91 -5.141 4.409 9.906 1.00 0.00 C ATOM 1124 CE LYS A 91 -4.482 4.035 11.223 1.00 0.00 C ATOM 1125 NZ LYS A 91 -4.980 2.732 11.746 1.00 0.00 N ATOM 0 H LYS A 91 -4.890 4.397 6.702 1.00 0.00 H new ATOM 0 HA LYS A 91 -5.215 7.169 6.430 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -4.369 7.180 8.847 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -5.838 6.292 8.491 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -3.882 4.353 8.167 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -3.243 5.319 9.482 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -5.970 5.091 10.095 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -5.561 3.516 9.443 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -3.402 3.982 11.086 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -4.672 4.817 11.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -4.666 2.610 12.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -6.019 2.718 11.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -4.603 1.957 11.164 1.00 0.00 H new ATOM 1139 N GLY A 92 -2.179 6.140 6.190 1.00 0.00 N ATOM 1140 CA GLY A 92 -0.812 6.556 5.937 1.00 0.00 C ATOM 1141 C GLY A 92 -0.663 7.301 4.622 1.00 0.00 C ATOM 1142 O GLY A 92 0.280 8.071 4.443 1.00 0.00 O ATOM 0 H GLY A 92 -2.363 5.151 6.023 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -0.473 7.195 6.753 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -0.165 5.679 5.929 1.00 0.00 H new ATOM 1146 N LEU A 93 -1.594 7.070 3.699 1.00 0.00 N ATOM 1147 CA LEU A 93 -1.557 7.728 2.395 1.00 0.00 C ATOM 1148 C LEU A 93 -2.735 8.680 2.223 1.00 0.00 C ATOM 1149 O LEU A 93 -3.373 8.712 1.171 1.00 0.00 O ATOM 1150 CB LEU A 93 -1.555 6.687 1.275 1.00 0.00 C ATOM 1151 CG LEU A 93 -2.726 5.708 1.312 1.00 0.00 C ATOM 1152 CD1 LEU A 93 -3.725 6.025 0.212 1.00 0.00 C ATOM 1153 CD2 LEU A 93 -2.229 4.275 1.190 1.00 0.00 C ATOM 0 H LEU A 93 -2.381 6.434 3.829 1.00 0.00 H new ATOM 0 HA LEU A 93 -0.638 8.312 2.341 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -1.562 7.205 0.316 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -0.625 6.121 1.325 1.00 0.00 H new ATOM 0 HG LEU A 93 -3.231 5.814 2.272 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -4.552 5.316 0.256 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -4.107 7.037 0.348 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -3.234 5.950 -0.758 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -3.078 3.592 1.218 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -1.697 4.154 0.247 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -1.556 4.052 2.018 1.00 0.00 H new ATOM 1165 N LYS A 94 -3.016 9.459 3.260 1.00 0.00 N ATOM 1166 CA LYS A 94 -4.110 10.420 3.220 1.00 0.00 C ATOM 1167 C LYS A 94 -3.643 11.767 2.661 1.00 0.00 C ATOM 1168 O LYS A 94 -4.461 12.635 2.353 1.00 0.00 O ATOM 1169 CB LYS A 94 -4.703 10.613 4.619 1.00 0.00 C ATOM 1170 CG LYS A 94 -3.792 11.368 5.575 1.00 0.00 C ATOM 1171 CD LYS A 94 -4.313 12.768 5.856 1.00 0.00 C ATOM 1172 CE LYS A 94 -4.130 13.147 7.318 1.00 0.00 C ATOM 1173 NZ LYS A 94 -5.210 14.054 7.796 1.00 0.00 N ATOM 0 H LYS A 94 -2.500 9.444 4.140 1.00 0.00 H new ATOM 0 HA LYS A 94 -4.879 10.022 2.558 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -5.647 11.150 4.532 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -4.930 9.636 5.045 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -3.708 10.816 6.511 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -2.790 11.430 5.151 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -3.790 13.486 5.225 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -5.370 12.824 5.594 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -4.118 12.244 7.928 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -3.163 13.633 7.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -5.336 13.933 8.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -4.950 15.040 7.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -6.099 13.823 7.308 1.00 0.00 H new ATOM 1187 N ASN A 95 -2.327 11.941 2.547 1.00 0.00 N ATOM 1188 CA ASN A 95 -1.762 13.187 2.043 1.00 0.00 C ATOM 1189 C ASN A 95 -1.488 13.119 0.541 1.00 0.00 C ATOM 1190 O ASN A 95 -0.481 13.642 0.062 1.00 0.00 O ATOM 1191 CB ASN A 95 -0.470 13.521 2.791 1.00 0.00 C ATOM 1192 CG ASN A 95 0.599 12.463 2.600 1.00 0.00 C ATOM 1193 OD1 ASN A 95 1.463 12.585 1.729 1.00 0.00 O ATOM 1194 ND2 ASN A 95 0.548 11.416 3.414 1.00 0.00 N ATOM 0 H ASN A 95 -1.635 11.235 2.797 1.00 0.00 H new ATOM 0 HA ASN A 95 -2.497 13.973 2.214 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -0.091 14.483 2.445 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -0.686 13.627 3.854 1.00 0.00 H new ATOM 0 HD21 ASN A 95 1.241 10.672 3.332 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -0.184 11.355 4.121 1.00 0.00 H new ATOM 1201 N GLN A 96 -2.390 12.486 -0.201 1.00 0.00 N ATOM 1202 CA GLN A 96 -2.240 12.372 -1.650 1.00 0.00 C ATOM 1203 C GLN A 96 -3.484 12.889 -2.362 1.00 0.00 C ATOM 1204 O GLN A 96 -4.596 12.786 -1.843 1.00 0.00 O ATOM 1205 CB GLN A 96 -1.964 10.923 -2.060 1.00 0.00 C ATOM 1206 CG GLN A 96 -2.717 9.899 -1.231 1.00 0.00 C ATOM 1207 CD GLN A 96 -2.648 8.507 -1.825 1.00 0.00 C ATOM 1208 OE1 GLN A 96 -3.665 7.931 -2.213 1.00 0.00 O ATOM 1209 NE2 GLN A 96 -1.441 7.954 -1.900 1.00 0.00 N ATOM 0 H GLN A 96 -3.230 12.045 0.174 1.00 0.00 H new ATOM 0 HA GLN A 96 -1.387 12.983 -1.946 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -2.231 10.795 -3.109 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -0.895 10.729 -1.977 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -2.306 9.880 -0.222 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -3.760 10.202 -1.145 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -0.624 8.466 -1.567 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -1.332 7.018 -2.291 1.00 0.00 H new ATOM 1218 N SER A 97 -3.290 13.454 -3.549 1.00 0.00 N ATOM 1219 CA SER A 97 -4.398 13.998 -4.326 1.00 0.00 C ATOM 1220 C SER A 97 -5.112 12.912 -5.129 1.00 0.00 C ATOM 1221 O SER A 97 -6.171 13.154 -5.709 1.00 0.00 O ATOM 1222 CB SER A 97 -3.893 15.100 -5.260 1.00 0.00 C ATOM 1223 OG SER A 97 -4.831 15.365 -6.290 1.00 0.00 O ATOM 0 H SER A 97 -2.377 13.547 -3.994 1.00 0.00 H new ATOM 0 HA SER A 97 -5.120 14.420 -3.626 1.00 0.00 H new ATOM 0 HB2 SER A 97 -3.709 16.010 -4.688 1.00 0.00 H new ATOM 0 HB3 SER A 97 -2.941 14.801 -5.699 1.00 0.00 H new ATOM 0 HG SER A 97 -5.641 14.835 -6.139 1.00 0.00 H new ATOM 1229 N ARG A 98 -4.534 11.717 -5.160 1.00 0.00 N ATOM 1230 CA ARG A 98 -5.123 10.601 -5.893 1.00 0.00 C ATOM 1231 C ARG A 98 -4.825 9.279 -5.194 1.00 0.00 C ATOM 1232 O ARG A 98 -3.733 9.081 -4.661 1.00 0.00 O ATOM 1233 CB ARG A 98 -4.595 10.565 -7.327 1.00 0.00 C ATOM 1234 CG ARG A 98 -5.612 10.053 -8.335 1.00 0.00 C ATOM 1235 CD ARG A 98 -5.619 10.897 -9.601 1.00 0.00 C ATOM 1236 NE ARG A 98 -5.716 12.324 -9.308 1.00 0.00 N ATOM 1237 CZ ARG A 98 -5.394 13.281 -10.175 1.00 0.00 C ATOM 1238 NH1 ARG A 98 -4.955 12.968 -11.388 1.00 0.00 N ATOM 1239 NH2 ARG A 98 -5.511 14.556 -9.828 1.00 0.00 N ATOM 0 H ARG A 98 -3.658 11.495 -4.686 1.00 0.00 H new ATOM 0 HA ARG A 98 -6.203 10.745 -5.919 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -4.282 11.568 -7.616 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -3.708 9.932 -7.364 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -5.384 9.018 -8.588 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -6.605 10.060 -7.886 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -4.709 10.705 -10.169 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -6.457 10.599 -10.231 1.00 0.00 H new ATOM 0 HE ARG A 98 -6.050 12.604 -8.386 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -4.863 11.989 -11.660 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -4.710 13.706 -12.048 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -5.848 14.802 -8.897 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -5.264 15.290 -10.492 1.00 0.00 H new ATOM 1253 N VAL A 99 -5.803 8.377 -5.195 1.00 0.00 N ATOM 1254 CA VAL A 99 -5.639 7.079 -4.553 1.00 0.00 C ATOM 1255 C VAL A 99 -5.990 5.940 -5.505 1.00 0.00 C ATOM 1256 O VAL A 99 -7.164 5.677 -5.769 1.00 0.00 O ATOM 1257 CB VAL A 99 -6.515 6.961 -3.291 1.00 0.00 C ATOM 1258 CG1 VAL A 99 -6.110 5.745 -2.471 1.00 0.00 C ATOM 1259 CG2 VAL A 99 -6.427 8.231 -2.454 1.00 0.00 C ATOM 0 H VAL A 99 -6.713 8.521 -5.632 1.00 0.00 H new ATOM 0 HA VAL A 99 -4.589 7.001 -4.270 1.00 0.00 H new ATOM 0 HB VAL A 99 -7.551 6.832 -3.604 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -6.740 5.678 -1.584 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -6.233 4.844 -3.072 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -5.067 5.841 -2.169 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -7.053 8.127 -1.568 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -5.393 8.396 -2.151 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -6.772 9.080 -3.044 1.00 0.00 H new ATOM 1269 N LYS A 100 -4.965 5.261 -6.008 1.00 0.00 N ATOM 1270 CA LYS A 100 -5.156 4.145 -6.919 1.00 0.00 C ATOM 1271 C LYS A 100 -5.308 2.845 -6.140 1.00 0.00 C ATOM 1272 O LYS A 100 -4.320 2.240 -5.724 1.00 0.00 O ATOM 1273 CB LYS A 100 -3.969 4.038 -7.871 1.00 0.00 C ATOM 1274 CG LYS A 100 -4.218 3.110 -9.043 1.00 0.00 C ATOM 1275 CD LYS A 100 -3.856 3.760 -10.371 1.00 0.00 C ATOM 1276 CE LYS A 100 -5.087 3.989 -11.234 1.00 0.00 C ATOM 1277 NZ LYS A 100 -5.210 2.965 -12.308 1.00 0.00 N ATOM 0 H LYS A 100 -3.989 5.468 -5.797 1.00 0.00 H new ATOM 0 HA LYS A 100 -6.064 4.320 -7.496 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -3.725 5.031 -8.249 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -3.099 3.686 -7.317 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -3.634 2.199 -8.914 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -5.268 2.817 -9.057 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -3.357 4.712 -10.187 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -3.148 3.127 -10.906 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -5.979 3.967 -10.608 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -5.037 4.981 -11.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -6.061 3.156 -12.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -4.371 3.003 -12.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -5.284 2.020 -11.880 1.00 0.00 H new ATOM 1291 N LEU A 101 -6.548 2.424 -5.935 1.00 0.00 N ATOM 1292 CA LEU A 101 -6.826 1.202 -5.192 1.00 0.00 C ATOM 1293 C LEU A 101 -7.175 0.053 -6.128 1.00 0.00 C ATOM 1294 O LEU A 101 -7.664 0.264 -7.236 1.00 0.00 O ATOM 1295 CB LEU A 101 -7.977 1.418 -4.200 1.00 0.00 C ATOM 1296 CG LEU A 101 -8.194 2.864 -3.739 1.00 0.00 C ATOM 1297 CD1 LEU A 101 -9.664 3.245 -3.849 1.00 0.00 C ATOM 1298 CD2 LEU A 101 -7.699 3.049 -2.312 1.00 0.00 C ATOM 0 H LEU A 101 -7.378 2.911 -6.273 1.00 0.00 H new ATOM 0 HA LEU A 101 -5.921 0.944 -4.643 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -8.899 1.060 -4.658 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -7.796 0.799 -3.321 1.00 0.00 H new ATOM 0 HG LEU A 101 -7.619 3.523 -4.390 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -9.799 4.275 -3.518 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -9.987 3.152 -4.886 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -10.260 2.581 -3.222 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -7.861 4.081 -2.002 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -8.246 2.380 -1.648 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -6.635 2.818 -2.263 1.00 0.00 H new ATOM 1310 N ASN A 102 -6.936 -1.164 -5.661 1.00 0.00 N ATOM 1311 CA ASN A 102 -7.243 -2.360 -6.433 1.00 0.00 C ATOM 1312 C ASN A 102 -8.160 -3.259 -5.615 1.00 0.00 C ATOM 1313 O ASN A 102 -7.703 -3.988 -4.739 1.00 0.00 O ATOM 1314 CB ASN A 102 -5.960 -3.104 -6.808 1.00 0.00 C ATOM 1315 CG ASN A 102 -5.607 -2.937 -8.274 1.00 0.00 C ATOM 1316 OD1 ASN A 102 -4.464 -2.639 -8.618 1.00 0.00 O ATOM 1317 ND2 ASN A 102 -6.591 -3.128 -9.143 1.00 0.00 N ATOM 0 H ASN A 102 -6.528 -1.350 -4.745 1.00 0.00 H new ATOM 0 HA ASN A 102 -7.745 -2.073 -7.357 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -5.137 -2.738 -6.194 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -6.078 -4.164 -6.583 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -6.415 -3.029 -10.143 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -7.524 -3.374 -8.811 1.00 0.00 H new ATOM 1324 N ILE A 103 -9.458 -3.175 -5.876 1.00 0.00 N ATOM 1325 CA ILE A 103 -10.430 -3.960 -5.126 1.00 0.00 C ATOM 1326 C ILE A 103 -11.260 -4.871 -6.029 1.00 0.00 C ATOM 1327 O ILE A 103 -11.182 -4.794 -7.255 1.00 0.00 O ATOM 1328 CB ILE A 103 -11.360 -3.041 -4.294 1.00 0.00 C ATOM 1329 CG1 ILE A 103 -12.557 -2.551 -5.113 1.00 0.00 C ATOM 1330 CG2 ILE A 103 -10.583 -1.847 -3.757 1.00 0.00 C ATOM 1331 CD1 ILE A 103 -13.709 -2.108 -4.247 1.00 0.00 C ATOM 0 H ILE A 103 -9.860 -2.575 -6.596 1.00 0.00 H new ATOM 0 HA ILE A 103 -9.863 -4.598 -4.448 1.00 0.00 H new ATOM 0 HB ILE A 103 -11.740 -3.633 -3.462 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -12.244 -1.722 -5.747 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -12.891 -3.350 -5.775 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -11.250 -1.211 -3.175 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -9.770 -2.198 -3.122 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -10.172 -1.276 -4.590 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -14.530 -1.770 -4.879 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -14.044 -2.943 -3.632 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -13.387 -1.290 -3.603 1.00 0.00 H new ATOM 1343 N VAL A 104 -12.062 -5.725 -5.401 1.00 0.00 N ATOM 1344 CA VAL A 104 -12.924 -6.652 -6.122 1.00 0.00 C ATOM 1345 C VAL A 104 -14.372 -6.504 -5.665 1.00 0.00 C ATOM 1346 O VAL A 104 -14.656 -6.495 -4.467 1.00 0.00 O ATOM 1347 CB VAL A 104 -12.487 -8.117 -5.929 1.00 0.00 C ATOM 1348 CG1 VAL A 104 -11.255 -8.427 -6.764 1.00 0.00 C ATOM 1349 CG2 VAL A 104 -12.232 -8.424 -4.461 1.00 0.00 C ATOM 0 H VAL A 104 -12.132 -5.793 -4.386 1.00 0.00 H new ATOM 0 HA VAL A 104 -12.839 -6.402 -7.180 1.00 0.00 H new ATOM 0 HB VAL A 104 -13.301 -8.756 -6.270 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -10.965 -9.467 -6.612 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -11.479 -8.263 -7.818 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -10.437 -7.774 -6.462 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -11.925 -9.465 -4.355 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -11.443 -7.773 -4.085 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -13.145 -8.255 -3.890 1.00 0.00 H new ATOM 1359 N ARG A 105 -15.283 -6.385 -6.626 1.00 0.00 N ATOM 1360 CA ARG A 105 -16.701 -6.236 -6.318 1.00 0.00 C ATOM 1361 C ARG A 105 -17.371 -7.598 -6.169 1.00 0.00 C ATOM 1362 O ARG A 105 -17.181 -8.488 -6.999 1.00 0.00 O ATOM 1363 CB ARG A 105 -17.398 -5.421 -7.410 1.00 0.00 C ATOM 1364 CG ARG A 105 -17.883 -4.060 -6.937 1.00 0.00 C ATOM 1365 CD ARG A 105 -19.242 -3.712 -7.525 1.00 0.00 C ATOM 1366 NE ARG A 105 -20.227 -3.415 -6.489 1.00 0.00 N ATOM 1367 CZ ARG A 105 -20.868 -4.349 -5.787 1.00 0.00 C ATOM 1368 NH1 ARG A 105 -20.625 -5.636 -6.005 1.00 0.00 N ATOM 1369 NH2 ARG A 105 -21.751 -3.996 -4.863 1.00 0.00 N ATOM 0 H ARG A 105 -15.065 -6.389 -7.622 1.00 0.00 H new ATOM 0 HA ARG A 105 -16.790 -5.706 -5.370 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -16.710 -5.283 -8.244 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -18.248 -5.989 -7.789 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -17.945 -4.054 -5.849 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -17.158 -3.297 -7.220 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -19.141 -2.852 -8.186 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -19.597 -4.543 -8.135 1.00 0.00 H new ATOM 0 HE ARG A 105 -20.437 -2.437 -6.291 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -19.945 -5.914 -6.713 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -21.118 -6.347 -5.465 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -21.940 -3.009 -4.689 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -22.241 -4.712 -4.326 1.00 0.00 H new ATOM 1384 N PRO B -3 -15.225 2.916 14.051 1.00 0.00 N ATOM 1385 CA PRO B -3 -14.435 1.730 13.716 1.00 0.00 C ATOM 1386 C PRO B -3 -13.149 2.073 12.968 1.00 0.00 C ATOM 1387 O PRO B -3 -12.814 1.435 11.971 1.00 0.00 O ATOM 1388 CB PRO B -3 -15.385 0.954 12.811 1.00 0.00 C ATOM 1389 CG PRO B -3 -16.140 2.013 12.082 1.00 0.00 C ATOM 1390 CD PRO B -3 -16.269 3.176 13.037 1.00 0.00 C ATOM 0 H2 PRO B -3 -14.610 3.727 14.123 1.00 0.00 H new ATOM 0 H3 PRO B -3 -15.660 2.789 14.965 1.00 0.00 H new ATOM 0 HA PRO B -3 -14.103 1.186 14.600 1.00 0.00 H new ATOM 0 HB2 PRO B -3 -14.841 0.307 12.123 1.00 0.00 H new ATOM 0 HB3 PRO B -3 -16.053 0.315 13.389 1.00 0.00 H new ATOM 0 HG2 PRO B -3 -15.614 2.311 11.175 1.00 0.00 H new ATOM 0 HG3 PRO B -3 -17.121 1.650 11.776 1.00 0.00 H new ATOM 0 HD2 PRO B -3 -16.108 4.128 12.532 1.00 0.00 H new ATOM 0 HD3 PRO B -3 -17.261 3.217 13.486 1.00 0.00 H new ATOM 1398 N VAL B -2 -12.432 3.084 13.451 1.00 0.00 N ATOM 1399 CA VAL B -2 -11.186 3.506 12.819 1.00 0.00 C ATOM 1400 C VAL B -2 -11.399 3.810 11.339 1.00 0.00 C ATOM 1401 O VAL B -2 -11.232 2.938 10.485 1.00 0.00 O ATOM 1402 CB VAL B -2 -10.091 2.433 12.965 1.00 0.00 C ATOM 1403 CG1 VAL B -2 -8.762 2.947 12.431 1.00 0.00 C ATOM 1404 CG2 VAL B -2 -9.959 1.999 14.416 1.00 0.00 C ATOM 0 H VAL B -2 -12.692 3.625 14.276 1.00 0.00 H new ATOM 0 HA VAL B -2 -10.861 4.413 13.329 1.00 0.00 H new ATOM 0 HB VAL B -2 -10.380 1.564 12.375 1.00 0.00 H new ATOM 0 HG11 VAL B -2 -8.001 2.174 12.543 1.00 0.00 H new ATOM 0 HG12 VAL B -2 -8.868 3.202 11.376 1.00 0.00 H new ATOM 0 HG13 VAL B -2 -8.464 3.834 12.990 1.00 0.00 H new ATOM 0 HG21 VAL B -2 -9.181 1.241 14.500 1.00 0.00 H new ATOM 0 HG22 VAL B -2 -9.695 2.860 15.031 1.00 0.00 H new ATOM 0 HG23 VAL B -2 -10.907 1.585 14.760 1.00 0.00 H new ATOM 1414 N TYR B -1 -11.776 5.050 11.045 1.00 0.00 N ATOM 1415 CA TYR B -1 -12.023 5.475 9.671 1.00 0.00 C ATOM 1416 C TYR B -1 -10.722 5.833 8.959 1.00 0.00 C ATOM 1417 O TYR B -1 -9.792 6.361 9.569 1.00 0.00 O ATOM 1418 CB TYR B -1 -12.970 6.677 9.661 1.00 0.00 C ATOM 1419 CG TYR B -1 -14.375 6.338 9.223 1.00 0.00 C ATOM 1420 CD1 TYR B -1 -14.724 6.353 7.881 1.00 0.00 C ATOM 1421 CD2 TYR B -1 -15.352 6.004 10.152 1.00 0.00 C ATOM 1422 CE1 TYR B -1 -16.007 6.044 7.473 1.00 0.00 C ATOM 1423 CE2 TYR B -1 -16.638 5.693 9.752 1.00 0.00 C ATOM 1424 CZ TYR B -1 -16.961 5.715 8.413 1.00 0.00 C ATOM 1425 OH TYR B -1 -18.240 5.406 8.012 1.00 0.00 O ATOM 0 H TYR B -1 -11.918 5.781 11.742 1.00 0.00 H new ATOM 0 HA TYR B -1 -12.483 4.644 9.137 1.00 0.00 H new ATOM 0 HB2 TYR B -1 -13.005 7.109 10.661 1.00 0.00 H new ATOM 0 HB3 TYR B -1 -12.566 7.441 8.997 1.00 0.00 H new ATOM 0 HD1 TYR B -1 -13.980 6.611 7.142 1.00 0.00 H new ATOM 0 HD2 TYR B -1 -15.103 5.987 11.203 1.00 0.00 H new ATOM 0 HE1 TYR B -1 -16.262 6.060 6.424 1.00 0.00 H new ATOM 0 HE2 TYR B -1 -17.386 5.434 10.486 1.00 0.00 H new ATOM 0 HH TYR B -1 -18.787 5.196 8.797 1.00 0.00 H new ATOM 1435 N ILE B 0 -10.671 5.552 7.660 1.00 0.00 N ATOM 1436 CA ILE B 0 -9.492 5.853 6.855 1.00 0.00 C ATOM 1437 C ILE B 0 -9.847 6.784 5.705 1.00 0.00 C ATOM 1438 O ILE B 0 -11.024 7.197 5.622 1.00 0.00 O ATOM 1439 CB ILE B 0 -8.842 4.574 6.287 1.00 0.00 C ATOM 1440 CG1 ILE B 0 -9.823 3.814 5.389 1.00 0.00 C ATOM 1441 CG2 ILE B 0 -8.361 3.679 7.422 1.00 0.00 C ATOM 1442 CD1 ILE B 0 -10.059 4.468 4.042 1.00 0.00 C ATOM 1443 OXT ILE B 0 -8.949 7.088 4.893 1.00 0.00 O ATOM 0 H ILE B 0 -11.434 5.116 7.142 1.00 0.00 H new ATOM 0 HA ILE B 0 -8.776 6.342 7.516 1.00 0.00 H new ATOM 0 HB ILE B 0 -7.984 4.867 5.681 1.00 0.00 H new ATOM 0 HG12 ILE B 0 -9.446 2.804 5.230 1.00 0.00 H new ATOM 0 HG13 ILE B 0 -10.777 3.720 5.908 1.00 0.00 H new ATOM 0 HG21 ILE B 0 -7.904 2.780 7.008 1.00 0.00 H new ATOM 0 HG22 ILE B 0 -7.626 4.216 8.022 1.00 0.00 H new ATOM 0 HG23 ILE B 0 -9.208 3.400 8.049 1.00 0.00 H new ATOM 0 HD11 ILE B 0 -10.765 3.870 3.466 1.00 0.00 H new ATOM 0 HD12 ILE B 0 -10.467 5.468 4.190 1.00 0.00 H new ATOM 0 HD13 ILE B 0 -9.115 4.537 3.501 1.00 0.00 H new