USER MOD reduce.3.24.130724 H: found=0, std=0, add=757, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 760 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 70 GLN : amide:sc= -1.86! C(o=-1.5!,f=-11!) USER MOD Set 1.2: B 102 THR OG1 : rot -170:sc= 0.366 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 154:sc= -0.137 (180deg=-0.6) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.359 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 GLN : amide:sc= -0.458 K(o=-0.46,f=-2.6!) USER MOD Single : A 15 ASN : amide:sc= -0.0911 X(o=-0.091,f=-0.021) USER MOD Single : A 17 MET CE :methyl -156:sc= -1.03 (180deg=-1.4) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -0.932 X(o=-0.93,f=-0.46) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0.0378 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -0.459 K(o=-0.46,f=-1.2) USER MOD Single : A 59 SER OG : rot -94:sc= 0.0147 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= -0.0682 USER MOD Single : A 77 MET CE :methyl -122:sc= -4.25! (180deg=-9.24!) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot -87:sc= 1.22 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 142:sc= -0.429 (180deg=-0.934) USER MOD Single : A 91 GLN :FLIP amide:sc= -0.0368 F(o=-1.2,f=-0.037) USER MOD Single : B 101 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -9.017 2.493 -23.356 1.00 0.00 N ATOM 2 CA MET A 1 -8.452 3.386 -22.305 1.00 0.00 C ATOM 3 C MET A 1 -8.348 2.661 -20.961 1.00 0.00 C ATOM 4 O MET A 1 -9.359 2.255 -20.385 1.00 0.00 O ATOM 5 CB MET A 1 -9.346 4.631 -22.179 1.00 0.00 C ATOM 6 CG MET A 1 -10.772 4.331 -21.742 1.00 0.00 C ATOM 7 SD MET A 1 -11.989 5.347 -22.601 1.00 0.00 S ATOM 8 CE MET A 1 -12.999 4.084 -23.370 1.00 0.00 C ATOM 0 H1 MET A 1 -9.480 3.068 -24.088 1.00 0.00 H new ATOM 0 H2 MET A 1 -8.252 1.935 -23.786 1.00 0.00 H new ATOM 0 H3 MET A 1 -9.714 1.851 -22.928 1.00 0.00 H new ATOM 0 HA MET A 1 -7.444 3.683 -22.593 1.00 0.00 H new ATOM 0 HB2 MET A 1 -8.895 5.318 -21.463 1.00 0.00 H new ATOM 0 HB3 MET A 1 -9.372 5.145 -23.140 1.00 0.00 H new ATOM 0 HG2 MET A 1 -10.990 3.279 -21.923 1.00 0.00 H new ATOM 0 HG3 MET A 1 -10.861 4.494 -20.668 1.00 0.00 H new ATOM 0 HE1 MET A 1 -13.799 4.555 -23.940 1.00 0.00 H new ATOM 0 HE2 MET A 1 -12.383 3.482 -24.038 1.00 0.00 H new ATOM 0 HE3 MET A 1 -13.430 3.444 -22.600 1.00 0.00 H new ATOM 20 N LYS A 2 -7.119 2.498 -20.469 1.00 0.00 N ATOM 21 CA LYS A 2 -6.881 1.822 -19.194 1.00 0.00 C ATOM 22 C LYS A 2 -6.582 2.839 -18.093 1.00 0.00 C ATOM 23 O LYS A 2 -5.440 3.272 -17.928 1.00 0.00 O ATOM 24 CB LYS A 2 -5.717 0.831 -19.323 1.00 0.00 C ATOM 25 CG LYS A 2 -5.480 -0.004 -18.071 1.00 0.00 C ATOM 26 CD LYS A 2 -4.032 0.077 -17.610 1.00 0.00 C ATOM 27 CE LYS A 2 -3.545 -1.256 -17.060 1.00 0.00 C ATOM 28 NZ LYS A 2 -2.158 -1.169 -16.523 1.00 0.00 N ATOM 0 H LYS A 2 -6.273 2.825 -20.935 1.00 0.00 H new ATOM 0 HA LYS A 2 -7.784 1.273 -18.926 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -5.912 0.163 -20.162 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -4.807 1.382 -19.559 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -6.137 0.342 -17.273 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -5.741 -1.043 -18.271 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -3.400 0.380 -18.445 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -3.936 0.845 -16.843 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -4.218 -1.589 -16.270 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -3.581 -2.008 -17.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -1.868 -2.099 -16.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -1.510 -0.876 -17.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -2.127 -0.471 -15.753 1.00 0.00 H new ATOM 42 N GLU A 3 -7.617 3.220 -17.346 1.00 0.00 N ATOM 43 CA GLU A 3 -7.470 4.188 -16.263 1.00 0.00 C ATOM 44 C GLU A 3 -7.582 3.504 -14.901 1.00 0.00 C ATOM 45 O GLU A 3 -8.534 2.759 -14.653 1.00 0.00 O ATOM 46 CB GLU A 3 -8.534 5.282 -16.388 1.00 0.00 C ATOM 47 CG GLU A 3 -7.963 6.650 -16.727 1.00 0.00 C ATOM 48 CD GLU A 3 -8.779 7.380 -17.777 1.00 0.00 C ATOM 49 OE1 GLU A 3 -9.846 7.926 -17.427 1.00 0.00 O ATOM 50 OE2 GLU A 3 -8.349 7.408 -18.951 1.00 0.00 O ATOM 0 H GLU A 3 -8.567 2.872 -17.472 1.00 0.00 H new ATOM 0 HA GLU A 3 -6.481 4.639 -16.340 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -9.250 4.995 -17.159 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -9.085 5.350 -15.450 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -7.918 7.255 -15.822 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -6.940 6.534 -17.084 1.00 0.00 H new ATOM 57 N PRO A 4 -6.605 3.744 -13.998 1.00 0.00 N ATOM 58 CA PRO A 4 -6.597 3.145 -12.653 1.00 0.00 C ATOM 59 C PRO A 4 -7.842 3.505 -11.838 1.00 0.00 C ATOM 60 O PRO A 4 -8.678 4.295 -12.278 1.00 0.00 O ATOM 61 CB PRO A 4 -5.343 3.742 -11.999 1.00 0.00 C ATOM 62 CG PRO A 4 -4.485 4.171 -13.137 1.00 0.00 C ATOM 63 CD PRO A 4 -5.431 4.610 -14.216 1.00 0.00 C ATOM 0 HA PRO A 4 -6.595 2.056 -12.700 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -5.596 4.585 -11.355 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -4.834 3.007 -11.376 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -3.822 4.985 -12.843 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -3.852 3.353 -13.480 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -5.686 5.666 -14.125 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -5.004 4.469 -15.209 1.00 0.00 H new ATOM 71 N GLU A 5 -7.953 2.920 -10.645 1.00 0.00 N ATOM 72 CA GLU A 5 -9.089 3.173 -9.765 1.00 0.00 C ATOM 73 C GLU A 5 -8.623 3.423 -8.337 1.00 0.00 C ATOM 74 O GLU A 5 -8.371 2.489 -7.574 1.00 0.00 O ATOM 75 CB GLU A 5 -10.066 1.998 -9.805 1.00 0.00 C ATOM 76 CG GLU A 5 -11.493 2.378 -9.435 1.00 0.00 C ATOM 77 CD GLU A 5 -12.357 2.691 -10.647 1.00 0.00 C ATOM 78 OE1 GLU A 5 -11.834 3.275 -11.621 1.00 0.00 O ATOM 79 OE2 GLU A 5 -13.559 2.353 -10.618 1.00 0.00 O ATOM 0 H GLU A 5 -7.267 2.266 -10.267 1.00 0.00 H new ATOM 0 HA GLU A 5 -9.601 4.067 -10.120 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -10.062 1.567 -10.806 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -9.717 1.223 -9.123 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -11.947 1.562 -8.873 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -11.473 3.246 -8.776 1.00 0.00 H new ATOM 86 N ILE A 6 -8.513 4.693 -7.986 1.00 0.00 N ATOM 87 CA ILE A 6 -8.076 5.095 -6.652 1.00 0.00 C ATOM 88 C ILE A 6 -9.223 5.004 -5.644 1.00 0.00 C ATOM 89 O ILE A 6 -10.267 5.635 -5.822 1.00 0.00 O ATOM 90 CB ILE A 6 -7.523 6.533 -6.660 1.00 0.00 C ATOM 91 CG1 ILE A 6 -6.403 6.670 -7.696 1.00 0.00 C ATOM 92 CG2 ILE A 6 -7.025 6.920 -5.274 1.00 0.00 C ATOM 93 CD1 ILE A 6 -6.876 7.197 -9.036 1.00 0.00 C ATOM 0 H ILE A 6 -8.722 5.473 -8.610 1.00 0.00 H new ATOM 0 HA ILE A 6 -7.284 4.408 -6.354 1.00 0.00 H new ATOM 0 HB ILE A 6 -8.329 7.213 -6.936 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -5.636 7.337 -7.303 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -5.934 5.697 -7.843 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -6.638 7.939 -5.298 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -7.848 6.861 -4.562 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -6.232 6.237 -4.969 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -6.029 7.268 -9.719 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -7.621 6.519 -9.451 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -7.318 8.184 -8.903 1.00 0.00 H new ATOM 105 N ILE A 7 -9.018 4.215 -4.586 1.00 0.00 N ATOM 106 CA ILE A 7 -10.032 4.040 -3.545 1.00 0.00 C ATOM 107 C ILE A 7 -9.391 3.878 -2.165 1.00 0.00 C ATOM 108 O ILE A 7 -8.381 3.187 -2.016 1.00 0.00 O ATOM 109 CB ILE A 7 -10.934 2.817 -3.824 1.00 0.00 C ATOM 110 CG1 ILE A 7 -10.097 1.537 -3.932 1.00 0.00 C ATOM 111 CG2 ILE A 7 -11.750 3.032 -5.093 1.00 0.00 C ATOM 112 CD1 ILE A 7 -10.523 0.454 -2.964 1.00 0.00 C ATOM 0 H ILE A 7 -8.159 3.688 -4.428 1.00 0.00 H new ATOM 0 HA ILE A 7 -10.644 4.942 -3.557 1.00 0.00 H new ATOM 0 HB ILE A 7 -11.623 2.704 -2.987 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -10.166 1.152 -4.949 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -9.050 1.781 -3.754 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -12.379 2.160 -5.273 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -12.378 3.915 -4.976 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -11.077 3.175 -5.938 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -9.888 -0.422 -3.096 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -10.427 0.821 -1.942 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -11.561 0.182 -3.156 1.00 0.00 H new ATOM 124 N THR A 8 -9.987 4.518 -1.159 1.00 0.00 N ATOM 125 CA THR A 8 -9.478 4.443 0.210 1.00 0.00 C ATOM 126 C THR A 8 -10.284 3.444 1.038 1.00 0.00 C ATOM 127 O THR A 8 -11.512 3.529 1.109 1.00 0.00 O ATOM 128 CB THR A 8 -9.515 5.824 0.877 1.00 0.00 C ATOM 129 OG1 THR A 8 -9.431 6.860 -0.089 1.00 0.00 O ATOM 130 CG2 THR A 8 -8.394 6.036 1.875 1.00 0.00 C ATOM 0 H THR A 8 -10.822 5.094 -1.266 1.00 0.00 H new ATOM 0 HA THR A 8 -8.444 4.101 0.163 1.00 0.00 H new ATOM 0 HB THR A 8 -10.467 5.859 1.406 1.00 0.00 H new ATOM 0 HG1 THR A 8 -9.458 7.730 0.361 1.00 0.00 H new ATOM 0 HG21 THR A 8 -8.478 7.032 2.310 1.00 0.00 H new ATOM 0 HG22 THR A 8 -8.463 5.288 2.665 1.00 0.00 H new ATOM 0 HG23 THR A 8 -7.433 5.941 1.369 1.00 0.00 H new ATOM 138 N VAL A 9 -9.584 2.496 1.662 1.00 0.00 N ATOM 139 CA VAL A 9 -10.231 1.478 2.486 1.00 0.00 C ATOM 140 C VAL A 9 -9.835 1.626 3.954 1.00 0.00 C ATOM 141 O VAL A 9 -8.653 1.749 4.279 1.00 0.00 O ATOM 142 CB VAL A 9 -9.876 0.053 2.005 1.00 0.00 C ATOM 143 CG1 VAL A 9 -10.700 -0.988 2.751 1.00 0.00 C ATOM 144 CG2 VAL A 9 -10.083 -0.075 0.502 1.00 0.00 C ATOM 0 H VAL A 9 -8.569 2.413 1.612 1.00 0.00 H new ATOM 0 HA VAL A 9 -11.306 1.626 2.387 1.00 0.00 H new ATOM 0 HB VAL A 9 -8.823 -0.126 2.221 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -10.434 -1.984 2.397 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -10.496 -0.916 3.819 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -11.760 -0.810 2.571 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -9.827 -1.086 0.184 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -11.126 0.129 0.260 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -9.444 0.641 -0.016 1.00 0.00 H new ATOM 154 N THR A 10 -10.836 1.616 4.835 1.00 0.00 N ATOM 155 CA THR A 10 -10.604 1.750 6.271 1.00 0.00 C ATOM 156 C THR A 10 -10.778 0.406 6.980 1.00 0.00 C ATOM 157 O THR A 10 -11.834 -0.222 6.883 1.00 0.00 O ATOM 158 CB THR A 10 -11.565 2.785 6.869 1.00 0.00 C ATOM 159 OG1 THR A 10 -11.668 3.928 6.034 1.00 0.00 O ATOM 160 CG2 THR A 10 -11.154 3.257 8.247 1.00 0.00 C ATOM 0 H THR A 10 -11.818 1.516 4.577 1.00 0.00 H new ATOM 0 HA THR A 10 -9.578 2.087 6.419 1.00 0.00 H new ATOM 0 HB THR A 10 -12.523 2.272 6.948 1.00 0.00 H new ATOM 0 HG1 THR A 10 -12.288 4.572 6.436 1.00 0.00 H new ATOM 0 HG21 THR A 10 -11.876 3.987 8.612 1.00 0.00 H new ATOM 0 HG22 THR A 10 -11.122 2.407 8.928 1.00 0.00 H new ATOM 0 HG23 THR A 10 -10.167 3.717 8.195 1.00 0.00 H new ATOM 168 N LEU A 11 -9.736 -0.026 7.692 1.00 0.00 N ATOM 169 CA LEU A 11 -9.767 -1.296 8.418 1.00 0.00 C ATOM 170 C LEU A 11 -9.069 -1.173 9.774 1.00 0.00 C ATOM 171 O LEU A 11 -8.270 -0.261 9.989 1.00 0.00 O ATOM 172 CB LEU A 11 -9.099 -2.397 7.588 1.00 0.00 C ATOM 173 CG LEU A 11 -9.831 -2.769 6.296 1.00 0.00 C ATOM 174 CD1 LEU A 11 -8.848 -3.252 5.240 1.00 0.00 C ATOM 175 CD2 LEU A 11 -10.887 -3.830 6.568 1.00 0.00 C ATOM 0 H LEU A 11 -8.859 0.486 7.781 1.00 0.00 H new ATOM 0 HA LEU A 11 -10.811 -1.558 8.591 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -8.088 -2.078 7.336 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -9.006 -3.291 8.205 1.00 0.00 H new ATOM 0 HG LEU A 11 -10.328 -1.877 5.916 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -9.390 -3.511 4.330 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -8.130 -2.461 5.022 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -8.319 -4.130 5.610 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -11.397 -4.082 5.638 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -10.410 -4.722 6.974 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -11.611 -3.447 7.287 1.00 0.00 H new ATOM 187 N LYS A 12 -9.375 -2.101 10.683 1.00 0.00 N ATOM 188 CA LYS A 12 -8.775 -2.102 12.017 1.00 0.00 C ATOM 189 C LYS A 12 -7.653 -3.135 12.109 1.00 0.00 C ATOM 190 O LYS A 12 -7.548 -4.030 11.267 1.00 0.00 O ATOM 191 CB LYS A 12 -9.838 -2.397 13.078 1.00 0.00 C ATOM 192 CG LYS A 12 -10.436 -1.151 13.712 1.00 0.00 C ATOM 193 CD LYS A 12 -11.452 -1.506 14.789 1.00 0.00 C ATOM 194 CE LYS A 12 -12.877 -1.424 14.261 1.00 0.00 C ATOM 195 NZ LYS A 12 -13.551 -0.154 14.657 1.00 0.00 N ATOM 0 H LYS A 12 -10.035 -2.861 10.519 1.00 0.00 H new ATOM 0 HA LYS A 12 -8.353 -1.113 12.198 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -10.638 -2.982 12.624 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -9.396 -3.014 13.860 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -9.641 -0.545 14.146 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -10.916 -0.545 12.943 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -11.257 -2.513 15.157 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -11.337 -0.829 15.636 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -12.865 -1.504 13.174 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -13.451 -2.271 14.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -14.519 -0.141 14.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -13.586 -0.089 15.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -13.019 0.655 14.277 1.00 0.00 H new ATOM 209 N LYS A 13 -6.819 -3.006 13.139 1.00 0.00 N ATOM 210 CA LYS A 13 -5.704 -3.926 13.346 1.00 0.00 C ATOM 211 C LYS A 13 -6.125 -5.101 14.231 1.00 0.00 C ATOM 212 O LYS A 13 -6.149 -4.987 15.459 1.00 0.00 O ATOM 213 CB LYS A 13 -4.519 -3.189 13.982 1.00 0.00 C ATOM 214 CG LYS A 13 -3.878 -2.152 13.069 1.00 0.00 C ATOM 215 CD LYS A 13 -2.996 -1.185 13.848 1.00 0.00 C ATOM 216 CE LYS A 13 -1.707 -1.851 14.309 1.00 0.00 C ATOM 217 NZ LYS A 13 -1.399 -1.554 15.737 1.00 0.00 N ATOM 0 H LYS A 13 -6.895 -2.272 13.844 1.00 0.00 H new ATOM 0 HA LYS A 13 -5.401 -4.317 12.375 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -4.856 -2.697 14.894 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -3.764 -3.919 14.274 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -3.282 -2.656 12.308 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -4.657 -1.595 12.547 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -2.758 -0.324 13.223 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -3.542 -0.810 14.713 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -1.789 -2.929 14.173 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -0.881 -1.513 13.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -0.513 -2.028 16.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -1.295 -0.527 15.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -2.174 -1.900 16.338 1.00 0.00 H new ATOM 231 N GLN A 14 -6.450 -6.231 13.599 1.00 0.00 N ATOM 232 CA GLN A 14 -6.863 -7.432 14.333 1.00 0.00 C ATOM 233 C GLN A 14 -5.651 -8.095 14.984 1.00 0.00 C ATOM 234 O GLN A 14 -5.641 -8.345 16.189 1.00 0.00 O ATOM 235 CB GLN A 14 -7.575 -8.435 13.409 1.00 0.00 C ATOM 236 CG GLN A 14 -8.438 -7.794 12.327 1.00 0.00 C ATOM 237 CD GLN A 14 -9.440 -6.789 12.875 1.00 0.00 C ATOM 238 OE1 GLN A 14 -9.688 -6.727 14.080 1.00 0.00 O ATOM 239 NE2 GLN A 14 -10.028 -5.992 11.988 1.00 0.00 N ATOM 0 H GLN A 14 -6.436 -6.341 12.585 1.00 0.00 H new ATOM 0 HA GLN A 14 -7.566 -7.125 15.108 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -6.825 -9.066 12.932 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -8.201 -9.088 14.016 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -7.792 -7.296 11.604 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -8.975 -8.576 11.789 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -9.797 -6.073 10.998 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -10.710 -5.300 12.298 1.00 0.00 H new ATOM 248 N ASN A 15 -4.629 -8.363 14.170 1.00 0.00 N ATOM 249 CA ASN A 15 -3.392 -8.984 14.641 1.00 0.00 C ATOM 250 C ASN A 15 -2.296 -8.861 13.578 1.00 0.00 C ATOM 251 O ASN A 15 -1.588 -9.826 13.279 1.00 0.00 O ATOM 252 CB ASN A 15 -3.632 -10.456 14.997 1.00 0.00 C ATOM 253 CG ASN A 15 -2.561 -11.013 15.915 1.00 0.00 C ATOM 254 OD1 ASN A 15 -2.549 -10.736 17.114 1.00 0.00 O ATOM 255 ND2 ASN A 15 -1.653 -11.806 15.355 1.00 0.00 N ATOM 0 H ASN A 15 -4.636 -8.157 13.171 1.00 0.00 H new ATOM 0 HA ASN A 15 -3.063 -8.462 15.540 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -4.606 -10.556 15.477 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -3.665 -11.047 14.082 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -0.909 -12.211 15.924 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -1.700 -12.010 14.357 1.00 0.00 H new ATOM 262 N GLY A 16 -2.174 -7.661 13.005 1.00 0.00 N ATOM 263 CA GLY A 16 -1.178 -7.415 11.974 1.00 0.00 C ATOM 264 C GLY A 16 -1.803 -7.246 10.600 1.00 0.00 C ATOM 265 O GLY A 16 -2.857 -7.822 10.321 1.00 0.00 O ATOM 0 H GLY A 16 -2.751 -6.853 13.239 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -0.611 -6.519 12.226 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -0.470 -8.244 11.950 1.00 0.00 H new ATOM 269 N MET A 17 -1.155 -6.456 9.739 1.00 0.00 N ATOM 270 CA MET A 17 -1.663 -6.220 8.383 1.00 0.00 C ATOM 271 C MET A 17 -1.635 -7.513 7.569 1.00 0.00 C ATOM 272 O MET A 17 -2.676 -7.988 7.114 1.00 0.00 O ATOM 273 CB MET A 17 -0.849 -5.134 7.665 1.00 0.00 C ATOM 274 CG MET A 17 -0.637 -3.873 8.491 1.00 0.00 C ATOM 275 SD MET A 17 -1.503 -2.442 7.817 1.00 0.00 S ATOM 276 CE MET A 17 -0.124 -1.400 7.339 1.00 0.00 C ATOM 0 H MET A 17 -0.283 -5.972 9.954 1.00 0.00 H new ATOM 0 HA MET A 17 -2.693 -5.875 8.471 1.00 0.00 H new ATOM 0 HB2 MET A 17 0.123 -5.544 7.391 1.00 0.00 H new ATOM 0 HB3 MET A 17 -1.356 -4.868 6.737 1.00 0.00 H new ATOM 0 HG2 MET A 17 -0.978 -4.051 9.511 1.00 0.00 H new ATOM 0 HG3 MET A 17 0.430 -3.654 8.545 1.00 0.00 H new ATOM 0 HE1 MET A 17 -0.447 -0.359 7.312 1.00 0.00 H new ATOM 0 HE2 MET A 17 0.684 -1.511 8.062 1.00 0.00 H new ATOM 0 HE3 MET A 17 0.230 -1.696 6.351 1.00 0.00 H new ATOM 286 N GLY A 18 -0.439 -8.083 7.402 1.00 0.00 N ATOM 287 CA GLY A 18 -0.295 -9.323 6.657 1.00 0.00 C ATOM 288 C GLY A 18 -0.441 -9.143 5.155 1.00 0.00 C ATOM 289 O GLY A 18 -1.440 -9.562 4.571 1.00 0.00 O ATOM 0 H GLY A 18 0.433 -7.705 7.772 1.00 0.00 H new ATOM 0 HA2 GLY A 18 0.682 -9.756 6.871 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -1.042 -10.036 7.005 1.00 0.00 H new ATOM 293 N LEU A 19 0.565 -8.534 4.529 1.00 0.00 N ATOM 294 CA LEU A 19 0.562 -8.315 3.079 1.00 0.00 C ATOM 295 C LEU A 19 1.981 -8.038 2.570 1.00 0.00 C ATOM 296 O LEU A 19 2.929 -7.991 3.357 1.00 0.00 O ATOM 297 CB LEU A 19 -0.385 -7.171 2.702 1.00 0.00 C ATOM 298 CG LEU A 19 0.003 -5.801 3.249 1.00 0.00 C ATOM 299 CD1 LEU A 19 0.777 -5.015 2.200 1.00 0.00 C ATOM 300 CD2 LEU A 19 -1.231 -5.030 3.696 1.00 0.00 C ATOM 0 H LEU A 19 1.396 -8.182 5.003 1.00 0.00 H new ATOM 0 HA LEU A 19 0.200 -9.224 2.599 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -0.439 -7.109 1.615 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -1.386 -7.417 3.058 1.00 0.00 H new ATOM 0 HG LEU A 19 0.645 -5.945 4.118 1.00 0.00 H new ATOM 0 HD11 LEU A 19 1.048 -4.039 2.603 1.00 0.00 H new ATOM 0 HD12 LEU A 19 1.682 -5.560 1.931 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.156 -4.882 1.314 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.931 -4.056 4.083 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.901 -4.893 2.848 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.745 -5.588 4.478 1.00 0.00 H new ATOM 312 N SER A 20 2.124 -7.861 1.256 1.00 0.00 N ATOM 313 CA SER A 20 3.432 -7.597 0.654 1.00 0.00 C ATOM 314 C SER A 20 3.404 -6.348 -0.230 1.00 0.00 C ATOM 315 O SER A 20 2.428 -6.103 -0.941 1.00 0.00 O ATOM 316 CB SER A 20 3.886 -8.805 -0.171 1.00 0.00 C ATOM 317 OG SER A 20 4.033 -9.955 0.645 1.00 0.00 O ATOM 0 H SER A 20 1.353 -7.895 0.590 1.00 0.00 H new ATOM 0 HA SER A 20 4.139 -7.421 1.464 1.00 0.00 H new ATOM 0 HB2 SER A 20 3.160 -9.005 -0.959 1.00 0.00 H new ATOM 0 HB3 SER A 20 4.833 -8.579 -0.661 1.00 0.00 H new ATOM 0 HG SER A 20 4.322 -10.712 0.094 1.00 0.00 H new ATOM 323 N ILE A 21 4.488 -5.565 -0.184 1.00 0.00 N ATOM 324 CA ILE A 21 4.597 -4.342 -0.983 1.00 0.00 C ATOM 325 C ILE A 21 5.948 -4.263 -1.704 1.00 0.00 C ATOM 326 O ILE A 21 6.907 -4.935 -1.319 1.00 0.00 O ATOM 327 CB ILE A 21 4.404 -3.076 -0.116 1.00 0.00 C ATOM 328 CG1 ILE A 21 5.552 -2.917 0.888 1.00 0.00 C ATOM 329 CG2 ILE A 21 3.066 -3.133 0.608 1.00 0.00 C ATOM 330 CD1 ILE A 21 6.728 -2.132 0.346 1.00 0.00 C ATOM 0 H ILE A 21 5.302 -5.758 0.399 1.00 0.00 H new ATOM 0 HA ILE A 21 3.800 -4.383 -1.726 1.00 0.00 H new ATOM 0 HB ILE A 21 4.410 -2.207 -0.774 1.00 0.00 H new ATOM 0 HG12 ILE A 21 5.175 -2.420 1.782 1.00 0.00 H new ATOM 0 HG13 ILE A 21 5.896 -3.905 1.194 1.00 0.00 H new ATOM 0 HG21 ILE A 21 2.942 -2.236 1.215 1.00 0.00 H new ATOM 0 HG22 ILE A 21 2.259 -3.191 -0.123 1.00 0.00 H new ATOM 0 HG23 ILE A 21 3.037 -4.013 1.251 1.00 0.00 H new ATOM 0 HD11 ILE A 21 7.501 -2.060 1.111 1.00 0.00 H new ATOM 0 HD12 ILE A 21 7.131 -2.639 -0.531 1.00 0.00 H new ATOM 0 HD13 ILE A 21 6.400 -1.131 0.067 1.00 0.00 H new ATOM 342 N VAL A 22 6.010 -3.443 -2.758 1.00 0.00 N ATOM 343 CA VAL A 22 7.233 -3.276 -3.548 1.00 0.00 C ATOM 344 C VAL A 22 7.360 -1.845 -4.085 1.00 0.00 C ATOM 345 O VAL A 22 6.358 -1.195 -4.380 1.00 0.00 O ATOM 346 CB VAL A 22 7.262 -4.259 -4.740 1.00 0.00 C ATOM 347 CG1 VAL A 22 8.549 -4.108 -5.539 1.00 0.00 C ATOM 348 CG2 VAL A 22 7.088 -5.695 -4.266 1.00 0.00 C ATOM 0 H VAL A 22 5.223 -2.882 -3.085 1.00 0.00 H new ATOM 0 HA VAL A 22 8.071 -3.485 -2.882 1.00 0.00 H new ATOM 0 HB VAL A 22 6.426 -4.015 -5.395 1.00 0.00 H new ATOM 0 HG11 VAL A 22 8.545 -4.811 -6.372 1.00 0.00 H new ATOM 0 HG12 VAL A 22 8.622 -3.090 -5.923 1.00 0.00 H new ATOM 0 HG13 VAL A 22 9.404 -4.314 -4.895 1.00 0.00 H new ATOM 0 HG21 VAL A 22 7.112 -6.367 -5.124 1.00 0.00 H new ATOM 0 HG22 VAL A 22 7.896 -5.952 -3.581 1.00 0.00 H new ATOM 0 HG23 VAL A 22 6.131 -5.796 -3.753 1.00 0.00 H new ATOM 358 N ALA A 23 8.600 -1.368 -4.219 1.00 0.00 N ATOM 359 CA ALA A 23 8.865 -0.021 -4.727 1.00 0.00 C ATOM 360 C ALA A 23 9.364 -0.067 -6.173 1.00 0.00 C ATOM 361 O ALA A 23 10.038 -1.019 -6.573 1.00 0.00 O ATOM 362 CB ALA A 23 9.880 0.688 -3.842 1.00 0.00 C ATOM 0 H ALA A 23 9.439 -1.898 -3.982 1.00 0.00 H new ATOM 0 HA ALA A 23 7.929 0.537 -4.708 1.00 0.00 H new ATOM 0 HB1 ALA A 23 10.067 1.688 -4.232 1.00 0.00 H new ATOM 0 HB2 ALA A 23 9.489 0.762 -2.827 1.00 0.00 H new ATOM 0 HB3 ALA A 23 10.812 0.122 -3.832 1.00 0.00 H new ATOM 368 N ALA A 24 9.028 0.965 -6.952 1.00 0.00 N ATOM 369 CA ALA A 24 9.442 1.034 -8.354 1.00 0.00 C ATOM 370 C ALA A 24 9.601 2.480 -8.828 1.00 0.00 C ATOM 371 O ALA A 24 8.909 3.383 -8.348 1.00 0.00 O ATOM 372 CB ALA A 24 8.437 0.301 -9.231 1.00 0.00 C ATOM 0 H ALA A 24 8.473 1.760 -6.636 1.00 0.00 H new ATOM 0 HA ALA A 24 10.416 0.551 -8.437 1.00 0.00 H new ATOM 0 HB1 ALA A 24 8.753 0.358 -10.273 1.00 0.00 H new ATOM 0 HB2 ALA A 24 8.381 -0.744 -8.925 1.00 0.00 H new ATOM 0 HB3 ALA A 24 7.456 0.763 -9.124 1.00 0.00 H new ATOM 378 N LYS A 25 10.514 2.688 -9.781 1.00 0.00 N ATOM 379 CA LYS A 25 10.770 4.018 -10.337 1.00 0.00 C ATOM 380 C LYS A 25 10.545 4.027 -11.851 1.00 0.00 C ATOM 381 O LYS A 25 10.199 3.000 -12.441 1.00 0.00 O ATOM 382 CB LYS A 25 12.203 4.460 -10.018 1.00 0.00 C ATOM 383 CG LYS A 25 12.294 5.868 -9.451 1.00 0.00 C ATOM 384 CD LYS A 25 13.738 6.287 -9.219 1.00 0.00 C ATOM 385 CE LYS A 25 13.866 7.800 -9.103 1.00 0.00 C ATOM 386 NZ LYS A 25 15.286 8.248 -9.138 1.00 0.00 N ATOM 0 H LYS A 25 11.090 1.949 -10.184 1.00 0.00 H new ATOM 0 HA LYS A 25 10.071 4.718 -9.879 1.00 0.00 H new ATOM 0 HB2 LYS A 25 12.639 3.761 -9.304 1.00 0.00 H new ATOM 0 HB3 LYS A 25 12.802 4.404 -10.927 1.00 0.00 H new ATOM 0 HG2 LYS A 25 11.817 6.568 -10.137 1.00 0.00 H new ATOM 0 HG3 LYS A 25 11.745 5.918 -8.511 1.00 0.00 H new ATOM 0 HD2 LYS A 25 14.113 5.818 -8.309 1.00 0.00 H new ATOM 0 HD3 LYS A 25 14.359 5.930 -10.041 1.00 0.00 H new ATOM 0 HE2 LYS A 25 13.317 8.273 -9.917 1.00 0.00 H new ATOM 0 HE3 LYS A 25 13.405 8.132 -8.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 15.325 9.284 -9.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 15.805 7.818 -8.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 15.720 7.955 -10.036 1.00 0.00 H new ATOM 400 N GLY A 26 10.749 5.188 -12.480 1.00 0.00 N ATOM 401 CA GLY A 26 10.568 5.299 -13.915 1.00 0.00 C ATOM 402 C GLY A 26 11.326 6.474 -14.492 1.00 0.00 C ATOM 403 O GLY A 26 12.422 6.799 -14.028 1.00 0.00 O ATOM 0 H GLY A 26 11.036 6.050 -12.017 1.00 0.00 H new ATOM 0 HA2 GLY A 26 10.904 4.380 -14.395 1.00 0.00 H new ATOM 0 HA3 GLY A 26 9.507 5.407 -14.139 1.00 0.00 H new ATOM 407 N ALA A 27 10.743 7.123 -15.495 1.00 0.00 N ATOM 408 CA ALA A 27 11.378 8.275 -16.116 1.00 0.00 C ATOM 409 C ALA A 27 10.624 9.556 -15.776 1.00 0.00 C ATOM 410 O ALA A 27 9.398 9.546 -15.641 1.00 0.00 O ATOM 411 CB ALA A 27 11.473 8.095 -17.626 1.00 0.00 C ATOM 0 H ALA A 27 9.838 6.871 -15.892 1.00 0.00 H new ATOM 0 HA ALA A 27 12.390 8.357 -15.719 1.00 0.00 H new ATOM 0 HB1 ALA A 27 11.951 8.969 -18.067 1.00 0.00 H new ATOM 0 HB2 ALA A 27 12.063 7.207 -17.850 1.00 0.00 H new ATOM 0 HB3 ALA A 27 10.472 7.980 -18.042 1.00 0.00 H new ATOM 417 N GLY A 28 11.367 10.655 -15.621 1.00 0.00 N ATOM 418 CA GLY A 28 10.753 11.927 -15.273 1.00 0.00 C ATOM 419 C GLY A 28 9.974 11.834 -13.975 1.00 0.00 C ATOM 420 O GLY A 28 8.967 12.521 -13.789 1.00 0.00 O ATOM 0 H GLY A 28 12.381 10.685 -15.730 1.00 0.00 H new ATOM 0 HA2 GLY A 28 11.525 12.691 -15.181 1.00 0.00 H new ATOM 0 HA3 GLY A 28 10.087 12.242 -16.076 1.00 0.00 H new ATOM 424 N GLN A 29 10.438 10.958 -13.084 1.00 0.00 N ATOM 425 CA GLN A 29 9.789 10.736 -11.803 1.00 0.00 C ATOM 426 C GLN A 29 10.821 10.426 -10.723 1.00 0.00 C ATOM 427 O GLN A 29 11.423 9.349 -10.718 1.00 0.00 O ATOM 428 CB GLN A 29 8.775 9.598 -11.937 1.00 0.00 C ATOM 429 CG GLN A 29 7.795 9.524 -10.779 1.00 0.00 C ATOM 430 CD GLN A 29 7.988 8.296 -9.909 1.00 0.00 C ATOM 431 OE1 GLN A 29 7.038 7.802 -9.303 1.00 0.00 O ATOM 432 NE2 GLN A 29 9.217 7.794 -9.834 1.00 0.00 N ATOM 0 H GLN A 29 11.270 10.388 -13.234 1.00 0.00 H new ATOM 0 HA GLN A 29 9.263 11.643 -11.505 1.00 0.00 H new ATOM 0 HB2 GLN A 29 8.219 9.724 -12.866 1.00 0.00 H new ATOM 0 HB3 GLN A 29 9.310 8.651 -12.012 1.00 0.00 H new ATOM 0 HG2 GLN A 29 7.902 10.417 -10.164 1.00 0.00 H new ATOM 0 HG3 GLN A 29 6.778 9.527 -11.172 1.00 0.00 H new ATOM 0 HE21 GLN A 29 9.979 8.232 -10.351 1.00 0.00 H new ATOM 0 HE22 GLN A 29 9.398 6.971 -9.259 1.00 0.00 H new ATOM 441 N ASP A 30 11.022 11.380 -9.809 1.00 0.00 N ATOM 442 CA ASP A 30 11.984 11.214 -8.721 1.00 0.00 C ATOM 443 C ASP A 30 11.309 10.674 -7.456 1.00 0.00 C ATOM 444 O ASP A 30 11.773 10.922 -6.341 1.00 0.00 O ATOM 445 CB ASP A 30 12.681 12.546 -8.418 1.00 0.00 C ATOM 446 CG ASP A 30 14.160 12.375 -8.118 1.00 0.00 C ATOM 447 OD1 ASP A 30 14.528 11.359 -7.488 1.00 0.00 O ATOM 448 OD2 ASP A 30 14.950 13.259 -8.511 1.00 0.00 O ATOM 0 H ASP A 30 10.531 12.274 -9.803 1.00 0.00 H new ATOM 0 HA ASP A 30 12.729 10.486 -9.043 1.00 0.00 H new ATOM 0 HB2 ASP A 30 12.562 13.216 -9.269 1.00 0.00 H new ATOM 0 HB3 ASP A 30 12.194 13.022 -7.567 1.00 0.00 H new ATOM 453 N LYS A 31 10.217 9.931 -7.637 1.00 0.00 N ATOM 454 CA LYS A 31 9.483 9.349 -6.519 1.00 0.00 C ATOM 455 C LYS A 31 9.536 7.822 -6.583 1.00 0.00 C ATOM 456 O LYS A 31 10.349 7.256 -7.315 1.00 0.00 O ATOM 457 CB LYS A 31 8.031 9.840 -6.528 1.00 0.00 C ATOM 458 CG LYS A 31 7.907 11.356 -6.529 1.00 0.00 C ATOM 459 CD LYS A 31 7.267 11.867 -7.811 1.00 0.00 C ATOM 460 CE LYS A 31 6.695 13.266 -7.634 1.00 0.00 C ATOM 461 NZ LYS A 31 5.420 13.444 -8.386 1.00 0.00 N ATOM 0 H LYS A 31 9.822 9.719 -8.553 1.00 0.00 H new ATOM 0 HA LYS A 31 9.951 9.668 -5.588 1.00 0.00 H new ATOM 0 HB2 LYS A 31 7.526 9.441 -7.407 1.00 0.00 H new ATOM 0 HB3 LYS A 31 7.515 9.441 -5.655 1.00 0.00 H new ATOM 0 HG2 LYS A 31 7.311 11.673 -5.673 1.00 0.00 H new ATOM 0 HG3 LYS A 31 8.895 11.802 -6.412 1.00 0.00 H new ATOM 0 HD2 LYS A 31 8.008 11.875 -8.610 1.00 0.00 H new ATOM 0 HD3 LYS A 31 6.474 11.186 -8.119 1.00 0.00 H new ATOM 0 HE2 LYS A 31 6.521 13.456 -6.575 1.00 0.00 H new ATOM 0 HE3 LYS A 31 7.423 14.002 -7.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 5.063 14.410 -8.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 5.590 13.288 -9.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 4.716 12.759 -8.044 1.00 0.00 H new ATOM 475 N LEU A 32 8.674 7.157 -5.812 1.00 0.00 N ATOM 476 CA LEU A 32 8.639 5.698 -5.788 1.00 0.00 C ATOM 477 C LEU A 32 7.212 5.185 -5.618 1.00 0.00 C ATOM 478 O LEU A 32 6.446 5.714 -4.808 1.00 0.00 O ATOM 479 CB LEU A 32 9.526 5.167 -4.656 1.00 0.00 C ATOM 480 CG LEU A 32 10.620 4.183 -5.086 1.00 0.00 C ATOM 481 CD1 LEU A 32 11.458 4.765 -6.218 1.00 0.00 C ATOM 482 CD2 LEU A 32 11.502 3.819 -3.898 1.00 0.00 C ATOM 0 H LEU A 32 7.994 7.606 -5.199 1.00 0.00 H new ATOM 0 HA LEU A 32 9.020 5.335 -6.743 1.00 0.00 H new ATOM 0 HB2 LEU A 32 9.998 6.014 -4.159 1.00 0.00 H new ATOM 0 HB3 LEU A 32 8.890 4.678 -3.918 1.00 0.00 H new ATOM 0 HG LEU A 32 10.140 3.276 -5.453 1.00 0.00 H new ATOM 0 HD11 LEU A 32 12.228 4.049 -6.506 1.00 0.00 H new ATOM 0 HD12 LEU A 32 10.817 4.974 -7.075 1.00 0.00 H new ATOM 0 HD13 LEU A 32 11.929 5.689 -5.884 1.00 0.00 H new ATOM 0 HD21 LEU A 32 12.274 3.120 -4.219 1.00 0.00 H new ATOM 0 HD22 LEU A 32 11.970 4.720 -3.503 1.00 0.00 H new ATOM 0 HD23 LEU A 32 10.893 3.356 -3.121 1.00 0.00 H new ATOM 494 N GLY A 33 6.862 4.154 -6.387 1.00 0.00 N ATOM 495 CA GLY A 33 5.528 3.583 -6.309 1.00 0.00 C ATOM 496 C GLY A 33 5.475 2.339 -5.440 1.00 0.00 C ATOM 497 O GLY A 33 6.106 1.330 -5.760 1.00 0.00 O ATOM 0 H GLY A 33 7.480 3.705 -7.063 1.00 0.00 H new ATOM 0 HA2 GLY A 33 4.840 4.329 -5.911 1.00 0.00 H new ATOM 0 HA3 GLY A 33 5.184 3.335 -7.313 1.00 0.00 H new ATOM 501 N ILE A 34 4.720 2.408 -4.341 1.00 0.00 N ATOM 502 CA ILE A 34 4.587 1.274 -3.426 1.00 0.00 C ATOM 503 C ILE A 34 3.483 0.331 -3.900 1.00 0.00 C ATOM 504 O ILE A 34 2.348 0.382 -3.424 1.00 0.00 O ATOM 505 CB ILE A 34 4.296 1.734 -1.977 1.00 0.00 C ATOM 506 CG1 ILE A 34 5.471 2.548 -1.425 1.00 0.00 C ATOM 507 CG2 ILE A 34 4.020 0.536 -1.074 1.00 0.00 C ATOM 508 CD1 ILE A 34 5.671 3.881 -2.113 1.00 0.00 C ATOM 0 H ILE A 34 4.193 3.236 -4.064 1.00 0.00 H new ATOM 0 HA ILE A 34 5.540 0.745 -3.426 1.00 0.00 H new ATOM 0 HB ILE A 34 3.408 2.366 -1.995 1.00 0.00 H new ATOM 0 HG12 ILE A 34 5.313 2.720 -0.360 1.00 0.00 H new ATOM 0 HG13 ILE A 34 6.384 1.960 -1.521 1.00 0.00 H new ATOM 0 HG21 ILE A 34 3.818 0.883 -0.061 1.00 0.00 H new ATOM 0 HG22 ILE A 34 3.155 -0.011 -1.449 1.00 0.00 H new ATOM 0 HG23 ILE A 34 4.889 -0.121 -1.066 1.00 0.00 H new ATOM 0 HD11 ILE A 34 6.521 4.397 -1.666 1.00 0.00 H new ATOM 0 HD12 ILE A 34 5.862 3.718 -3.174 1.00 0.00 H new ATOM 0 HD13 ILE A 34 4.774 4.489 -1.995 1.00 0.00 H new ATOM 520 N TYR A 35 3.832 -0.523 -4.852 1.00 0.00 N ATOM 521 CA TYR A 35 2.892 -1.486 -5.414 1.00 0.00 C ATOM 522 C TYR A 35 2.731 -2.697 -4.497 1.00 0.00 C ATOM 523 O TYR A 35 3.683 -3.122 -3.845 1.00 0.00 O ATOM 524 CB TYR A 35 3.375 -1.935 -6.794 1.00 0.00 C ATOM 525 CG TYR A 35 3.467 -0.807 -7.798 1.00 0.00 C ATOM 526 CD1 TYR A 35 2.325 -0.303 -8.405 1.00 0.00 C ATOM 527 CD2 TYR A 35 4.693 -0.245 -8.137 1.00 0.00 C ATOM 528 CE1 TYR A 35 2.399 0.725 -9.323 1.00 0.00 C ATOM 529 CE2 TYR A 35 4.776 0.786 -9.054 1.00 0.00 C ATOM 530 CZ TYR A 35 3.626 1.267 -9.645 1.00 0.00 C ATOM 531 OH TYR A 35 3.705 2.290 -10.562 1.00 0.00 O ATOM 0 H TYR A 35 4.768 -0.569 -5.255 1.00 0.00 H new ATOM 0 HA TYR A 35 1.920 -1.002 -5.509 1.00 0.00 H new ATOM 0 HB2 TYR A 35 4.355 -2.402 -6.693 1.00 0.00 H new ATOM 0 HB3 TYR A 35 2.697 -2.697 -7.177 1.00 0.00 H new ATOM 0 HD1 TYR A 35 1.362 -0.723 -8.155 1.00 0.00 H new ATOM 0 HD2 TYR A 35 5.595 -0.620 -7.676 1.00 0.00 H new ATOM 0 HE1 TYR A 35 1.500 1.103 -9.787 1.00 0.00 H new ATOM 0 HE2 TYR A 35 5.736 1.213 -9.306 1.00 0.00 H new ATOM 0 HH TYR A 35 4.641 2.558 -10.674 1.00 0.00 H new ATOM 541 N VAL A 36 1.522 -3.253 -4.457 1.00 0.00 N ATOM 542 CA VAL A 36 1.239 -4.418 -3.623 1.00 0.00 C ATOM 543 C VAL A 36 1.645 -5.708 -4.333 1.00 0.00 C ATOM 544 O VAL A 36 1.179 -5.994 -5.437 1.00 0.00 O ATOM 545 CB VAL A 36 -0.257 -4.503 -3.246 1.00 0.00 C ATOM 546 CG1 VAL A 36 -0.495 -5.616 -2.235 1.00 0.00 C ATOM 547 CG2 VAL A 36 -0.759 -3.171 -2.702 1.00 0.00 C ATOM 0 H VAL A 36 0.723 -2.915 -4.993 1.00 0.00 H new ATOM 0 HA VAL A 36 1.825 -4.301 -2.711 1.00 0.00 H new ATOM 0 HB VAL A 36 -0.819 -4.734 -4.151 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -1.555 -5.658 -1.983 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -0.185 -6.569 -2.664 1.00 0.00 H new ATOM 0 HG13 VAL A 36 0.084 -5.418 -1.333 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -1.815 -3.258 -2.444 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -0.189 -2.903 -1.812 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.633 -2.398 -3.460 1.00 0.00 H new ATOM 557 N LYS A 37 2.510 -6.484 -3.685 1.00 0.00 N ATOM 558 CA LYS A 37 2.979 -7.751 -4.242 1.00 0.00 C ATOM 559 C LYS A 37 1.971 -8.869 -3.975 1.00 0.00 C ATOM 560 O LYS A 37 1.685 -9.677 -4.860 1.00 0.00 O ATOM 561 CB LYS A 37 4.340 -8.118 -3.645 1.00 0.00 C ATOM 562 CG LYS A 37 5.015 -9.296 -4.331 1.00 0.00 C ATOM 563 CD LYS A 37 6.014 -8.839 -5.383 1.00 0.00 C ATOM 564 CE LYS A 37 6.389 -9.973 -6.326 1.00 0.00 C ATOM 565 NZ LYS A 37 7.772 -9.822 -6.862 1.00 0.00 N ATOM 0 H LYS A 37 2.902 -6.257 -2.771 1.00 0.00 H new ATOM 0 HA LYS A 37 3.083 -7.632 -5.321 1.00 0.00 H new ATOM 0 HB2 LYS A 37 4.997 -7.251 -3.703 1.00 0.00 H new ATOM 0 HB3 LYS A 37 4.212 -8.350 -2.588 1.00 0.00 H new ATOM 0 HG2 LYS A 37 5.525 -9.907 -3.586 1.00 0.00 H new ATOM 0 HG3 LYS A 37 4.259 -9.927 -4.798 1.00 0.00 H new ATOM 0 HD2 LYS A 37 5.590 -8.014 -5.955 1.00 0.00 H new ATOM 0 HD3 LYS A 37 6.911 -8.459 -4.894 1.00 0.00 H new ATOM 0 HE2 LYS A 37 6.306 -10.924 -5.800 1.00 0.00 H new ATOM 0 HE3 LYS A 37 5.681 -10.004 -7.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 7.986 -10.615 -7.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 7.845 -8.927 -7.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 8.451 -9.818 -6.074 1.00 0.00 H new ATOM 579 N SER A 38 1.436 -8.911 -2.751 1.00 0.00 N ATOM 580 CA SER A 38 0.459 -9.930 -2.374 1.00 0.00 C ATOM 581 C SER A 38 -0.192 -9.599 -1.028 1.00 0.00 C ATOM 582 O SER A 38 0.127 -8.583 -0.408 1.00 0.00 O ATOM 583 CB SER A 38 1.121 -11.310 -2.310 1.00 0.00 C ATOM 584 OG SER A 38 0.155 -12.340 -2.428 1.00 0.00 O ATOM 0 H SER A 38 1.664 -8.251 -2.007 1.00 0.00 H new ATOM 0 HA SER A 38 -0.319 -9.945 -3.137 1.00 0.00 H new ATOM 0 HB2 SER A 38 1.856 -11.402 -3.109 1.00 0.00 H new ATOM 0 HB3 SER A 38 1.659 -11.416 -1.368 1.00 0.00 H new ATOM 0 HG SER A 38 0.600 -13.212 -2.386 1.00 0.00 H new ATOM 590 N VAL A 39 -1.103 -10.466 -0.583 1.00 0.00 N ATOM 591 CA VAL A 39 -1.798 -10.274 0.687 1.00 0.00 C ATOM 592 C VAL A 39 -1.795 -11.563 1.504 1.00 0.00 C ATOM 593 O VAL A 39 -2.143 -12.629 0.996 1.00 0.00 O ATOM 594 CB VAL A 39 -3.258 -9.813 0.475 1.00 0.00 C ATOM 595 CG1 VAL A 39 -3.885 -9.382 1.794 1.00 0.00 C ATOM 596 CG2 VAL A 39 -3.327 -8.683 -0.542 1.00 0.00 C ATOM 0 H VAL A 39 -1.376 -11.310 -1.087 1.00 0.00 H new ATOM 0 HA VAL A 39 -1.262 -9.495 1.229 1.00 0.00 H new ATOM 0 HB VAL A 39 -3.825 -10.659 0.085 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -4.912 -9.062 1.621 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -3.879 -10.220 2.491 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -3.313 -8.555 2.216 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -4.364 -8.376 -0.674 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -2.740 -7.836 -0.186 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -2.926 -9.027 -1.495 1.00 0.00 H new ATOM 606 N VAL A 40 -1.397 -11.459 2.770 1.00 0.00 N ATOM 607 CA VAL A 40 -1.348 -12.620 3.655 1.00 0.00 C ATOM 608 C VAL A 40 -2.726 -12.918 4.245 1.00 0.00 C ATOM 609 O VAL A 40 -3.389 -12.026 4.780 1.00 0.00 O ATOM 610 CB VAL A 40 -0.334 -12.419 4.805 1.00 0.00 C ATOM 611 CG1 VAL A 40 -0.160 -13.704 5.600 1.00 0.00 C ATOM 612 CG2 VAL A 40 1.008 -11.939 4.267 1.00 0.00 C ATOM 0 H VAL A 40 -1.104 -10.584 3.205 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.024 -13.466 3.048 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.728 -11.653 5.472 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.558 -13.540 6.404 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -1.119 -14.002 6.024 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.206 -14.492 4.942 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.705 -11.805 5.094 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.407 -12.678 3.573 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.874 -10.990 3.748 1.00 0.00 H new ATOM 622 N LYS A 41 -3.149 -14.178 4.142 1.00 0.00 N ATOM 623 CA LYS A 41 -4.447 -14.604 4.662 1.00 0.00 C ATOM 624 C LYS A 41 -4.544 -14.360 6.164 1.00 0.00 C ATOM 625 O LYS A 41 -3.601 -14.632 6.909 1.00 0.00 O ATOM 626 CB LYS A 41 -4.683 -16.088 4.364 1.00 0.00 C ATOM 627 CG LYS A 41 -5.728 -16.337 3.288 1.00 0.00 C ATOM 628 CD LYS A 41 -7.099 -16.609 3.891 1.00 0.00 C ATOM 629 CE LYS A 41 -8.217 -16.091 2.997 1.00 0.00 C ATOM 630 NZ LYS A 41 -8.970 -17.198 2.342 1.00 0.00 N ATOM 0 H LYS A 41 -2.609 -14.923 3.702 1.00 0.00 H new ATOM 0 HA LYS A 41 -5.215 -14.012 4.164 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -3.741 -16.542 4.055 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -4.992 -16.589 5.281 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -5.785 -15.471 2.628 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -5.425 -17.186 2.675 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -7.223 -17.681 4.046 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -7.167 -16.136 4.871 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -8.904 -15.487 3.590 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -7.796 -15.438 2.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -9.721 -16.800 1.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -8.321 -17.760 1.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -9.394 -17.808 3.070 1.00 0.00 H new ATOM 644 N GLY A 42 -5.691 -13.845 6.600 1.00 0.00 N ATOM 645 CA GLY A 42 -5.896 -13.568 8.012 1.00 0.00 C ATOM 646 C GLY A 42 -5.881 -12.082 8.326 1.00 0.00 C ATOM 647 O GLY A 42 -6.496 -11.646 9.301 1.00 0.00 O ATOM 0 H GLY A 42 -6.483 -13.614 6.000 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -6.850 -13.992 8.327 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -5.119 -14.066 8.592 1.00 0.00 H new ATOM 651 N GLY A 43 -5.179 -11.302 7.501 1.00 0.00 N ATOM 652 CA GLY A 43 -5.103 -9.866 7.715 1.00 0.00 C ATOM 653 C GLY A 43 -6.446 -9.172 7.539 1.00 0.00 C ATOM 654 O GLY A 43 -7.349 -9.703 6.887 1.00 0.00 O ATOM 0 H GLY A 43 -4.663 -11.641 6.689 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -4.728 -9.672 8.720 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -4.383 -9.437 7.018 1.00 0.00 H new ATOM 658 N ALA A 44 -6.572 -7.980 8.126 1.00 0.00 N ATOM 659 CA ALA A 44 -7.807 -7.194 8.047 1.00 0.00 C ATOM 660 C ALA A 44 -8.225 -6.927 6.598 1.00 0.00 C ATOM 661 O ALA A 44 -9.413 -6.969 6.271 1.00 0.00 O ATOM 662 CB ALA A 44 -7.638 -5.878 8.794 1.00 0.00 C ATOM 0 H ALA A 44 -5.829 -7.535 8.665 1.00 0.00 H new ATOM 0 HA ALA A 44 -8.599 -7.779 8.515 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -8.561 -5.302 8.729 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -7.409 -6.080 9.840 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -6.823 -5.309 8.348 1.00 0.00 H new ATOM 668 N ALA A 45 -7.245 -6.654 5.734 1.00 0.00 N ATOM 669 CA ALA A 45 -7.519 -6.385 4.323 1.00 0.00 C ATOM 670 C ALA A 45 -7.880 -7.668 3.576 1.00 0.00 C ATOM 671 O ALA A 45 -8.772 -7.670 2.726 1.00 0.00 O ATOM 672 CB ALA A 45 -6.322 -5.711 3.665 1.00 0.00 C ATOM 0 H ALA A 45 -6.258 -6.614 5.987 1.00 0.00 H new ATOM 0 HA ALA A 45 -8.374 -5.711 4.272 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -6.544 -5.519 2.615 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -6.112 -4.768 4.170 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -5.452 -6.363 3.738 1.00 0.00 H new ATOM 678 N ASP A 46 -7.182 -8.758 3.902 1.00 0.00 N ATOM 679 CA ASP A 46 -7.430 -10.051 3.264 1.00 0.00 C ATOM 680 C ASP A 46 -8.865 -10.515 3.508 1.00 0.00 C ATOM 681 O ASP A 46 -9.502 -11.079 2.618 1.00 0.00 O ATOM 682 CB ASP A 46 -6.447 -11.104 3.784 1.00 0.00 C ATOM 683 CG ASP A 46 -6.245 -12.241 2.802 1.00 0.00 C ATOM 684 OD1 ASP A 46 -7.111 -13.140 2.750 1.00 0.00 O ATOM 685 OD2 ASP A 46 -5.223 -12.233 2.085 1.00 0.00 O ATOM 0 H ASP A 46 -6.442 -8.770 4.603 1.00 0.00 H new ATOM 0 HA ASP A 46 -7.283 -9.928 2.191 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -5.487 -10.631 3.990 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -6.814 -11.505 4.729 1.00 0.00 H new ATOM 690 N VAL A 47 -9.366 -10.275 4.719 1.00 0.00 N ATOM 691 CA VAL A 47 -10.727 -10.669 5.079 1.00 0.00 C ATOM 692 C VAL A 47 -11.764 -9.764 4.410 1.00 0.00 C ATOM 693 O VAL A 47 -12.817 -10.234 3.976 1.00 0.00 O ATOM 694 CB VAL A 47 -10.943 -10.633 6.607 1.00 0.00 C ATOM 695 CG1 VAL A 47 -12.319 -11.178 6.969 1.00 0.00 C ATOM 696 CG2 VAL A 47 -9.846 -11.410 7.324 1.00 0.00 C ATOM 0 H VAL A 47 -8.850 -9.810 5.466 1.00 0.00 H new ATOM 0 HA VAL A 47 -10.858 -11.691 4.725 1.00 0.00 H new ATOM 0 HB VAL A 47 -10.893 -9.595 6.935 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -12.451 -11.144 8.050 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -13.088 -10.572 6.490 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -12.404 -12.209 6.626 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -10.017 -11.372 8.400 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -9.858 -12.448 6.991 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -8.877 -10.967 7.095 1.00 0.00 H new ATOM 706 N ASP A 48 -11.461 -8.467 4.333 1.00 0.00 N ATOM 707 CA ASP A 48 -12.371 -7.499 3.721 1.00 0.00 C ATOM 708 C ASP A 48 -12.657 -7.851 2.261 1.00 0.00 C ATOM 709 O ASP A 48 -13.803 -7.781 1.812 1.00 0.00 O ATOM 710 CB ASP A 48 -11.789 -6.084 3.814 1.00 0.00 C ATOM 711 CG ASP A 48 -12.835 -5.039 4.170 1.00 0.00 C ATOM 712 OD1 ASP A 48 -13.645 -5.291 5.088 1.00 0.00 O ATOM 713 OD2 ASP A 48 -12.837 -3.964 3.534 1.00 0.00 O ATOM 0 H ASP A 48 -10.593 -8.064 4.687 1.00 0.00 H new ATOM 0 HA ASP A 48 -13.312 -7.535 4.270 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -10.998 -6.070 4.564 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -11.330 -5.822 2.861 1.00 0.00 H new ATOM 718 N GLY A 49 -11.613 -8.231 1.523 1.00 0.00 N ATOM 719 CA GLY A 49 -11.779 -8.589 0.124 1.00 0.00 C ATOM 720 C GLY A 49 -12.038 -7.386 -0.769 1.00 0.00 C ATOM 721 O GLY A 49 -12.806 -7.478 -1.728 1.00 0.00 O ATOM 0 H GLY A 49 -10.656 -8.297 1.870 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -10.884 -9.106 -0.222 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -12.608 -9.290 0.030 1.00 0.00 H new ATOM 725 N ARG A 50 -11.394 -6.259 -0.461 1.00 0.00 N ATOM 726 CA ARG A 50 -11.561 -5.041 -1.253 1.00 0.00 C ATOM 727 C ARG A 50 -10.407 -4.870 -2.239 1.00 0.00 C ATOM 728 O ARG A 50 -10.624 -4.572 -3.415 1.00 0.00 O ATOM 729 CB ARG A 50 -11.661 -3.812 -0.344 1.00 0.00 C ATOM 730 CG ARG A 50 -13.036 -3.631 0.283 1.00 0.00 C ATOM 731 CD ARG A 50 -13.336 -2.168 0.571 1.00 0.00 C ATOM 732 NE ARG A 50 -14.772 -1.923 0.716 1.00 0.00 N ATOM 733 CZ ARG A 50 -15.629 -1.854 -0.308 1.00 0.00 C ATOM 734 NH1 ARG A 50 -15.205 -2.025 -1.558 1.00 0.00 N ATOM 735 NH2 ARG A 50 -16.917 -1.617 -0.078 1.00 0.00 N ATOM 0 H ARG A 50 -10.755 -6.165 0.328 1.00 0.00 H new ATOM 0 HA ARG A 50 -12.489 -5.135 -1.817 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -10.917 -3.895 0.448 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -11.414 -2.921 -0.922 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -13.797 -4.033 -0.386 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -13.091 -4.203 1.209 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -12.822 -1.865 1.483 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -12.942 -1.551 -0.237 1.00 0.00 H new ATOM 0 HE ARG A 50 -15.142 -1.797 1.658 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -14.219 -2.210 -1.741 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -15.866 -1.971 -2.333 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -17.249 -1.488 0.878 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -17.573 -1.564 -0.857 1.00 0.00 H new ATOM 749 N LEU A 51 -9.181 -5.066 -1.754 1.00 0.00 N ATOM 750 CA LEU A 51 -7.991 -4.941 -2.593 1.00 0.00 C ATOM 751 C LEU A 51 -7.468 -6.318 -3.001 1.00 0.00 C ATOM 752 O LEU A 51 -7.939 -7.344 -2.502 1.00 0.00 O ATOM 753 CB LEU A 51 -6.895 -4.157 -1.861 1.00 0.00 C ATOM 754 CG LEU A 51 -6.331 -4.831 -0.605 1.00 0.00 C ATOM 755 CD1 LEU A 51 -5.209 -5.796 -0.969 1.00 0.00 C ATOM 756 CD2 LEU A 51 -5.836 -3.785 0.383 1.00 0.00 C ATOM 0 H LEU A 51 -8.987 -5.312 -0.783 1.00 0.00 H new ATOM 0 HA LEU A 51 -8.270 -4.395 -3.494 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -6.075 -3.978 -2.556 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -7.295 -3.182 -1.581 1.00 0.00 H new ATOM 0 HG LEU A 51 -7.131 -5.401 -0.133 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -4.823 -6.263 -0.063 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -5.594 -6.565 -1.639 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -4.407 -5.250 -1.466 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -5.439 -4.280 1.269 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -5.051 -3.188 -0.082 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -6.663 -3.136 0.670 1.00 0.00 H new ATOM 768 N ALA A 52 -6.492 -6.334 -3.910 1.00 0.00 N ATOM 769 CA ALA A 52 -5.904 -7.584 -4.387 1.00 0.00 C ATOM 770 C ALA A 52 -4.399 -7.437 -4.618 1.00 0.00 C ATOM 771 O ALA A 52 -3.808 -6.406 -4.292 1.00 0.00 O ATOM 772 CB ALA A 52 -6.594 -8.031 -5.668 1.00 0.00 C ATOM 0 H ALA A 52 -6.093 -5.495 -4.330 1.00 0.00 H new ATOM 0 HA ALA A 52 -6.052 -8.343 -3.619 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -6.148 -8.963 -6.015 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -7.655 -8.186 -5.474 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -6.473 -7.264 -6.433 1.00 0.00 H new ATOM 778 N ALA A 53 -3.787 -8.477 -5.189 1.00 0.00 N ATOM 779 CA ALA A 53 -2.354 -8.464 -5.472 1.00 0.00 C ATOM 780 C ALA A 53 -2.061 -7.736 -6.783 1.00 0.00 C ATOM 781 O ALA A 53 -2.937 -7.609 -7.642 1.00 0.00 O ATOM 782 CB ALA A 53 -1.809 -9.884 -5.523 1.00 0.00 C ATOM 0 H ALA A 53 -4.263 -9.337 -5.463 1.00 0.00 H new ATOM 0 HA ALA A 53 -1.856 -7.926 -4.666 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -0.740 -9.856 -5.735 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -1.976 -10.373 -4.563 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -2.320 -10.442 -6.308 1.00 0.00 H new ATOM 788 N GLY A 54 -0.826 -7.257 -6.928 1.00 0.00 N ATOM 789 CA GLY A 54 -0.438 -6.542 -8.135 1.00 0.00 C ATOM 790 C GLY A 54 -1.109 -5.183 -8.253 1.00 0.00 C ATOM 791 O GLY A 54 -1.360 -4.704 -9.361 1.00 0.00 O ATOM 0 H GLY A 54 -0.087 -7.351 -6.231 1.00 0.00 H new ATOM 0 HA2 GLY A 54 0.644 -6.410 -8.142 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -0.692 -7.145 -9.007 1.00 0.00 H new ATOM 795 N ASP A 55 -1.398 -4.560 -7.110 1.00 0.00 N ATOM 796 CA ASP A 55 -2.042 -3.249 -7.089 1.00 0.00 C ATOM 797 C ASP A 55 -1.028 -2.151 -6.762 1.00 0.00 C ATOM 798 O ASP A 55 0.164 -2.424 -6.610 1.00 0.00 O ATOM 799 CB ASP A 55 -3.184 -3.237 -6.065 1.00 0.00 C ATOM 800 CG ASP A 55 -4.534 -3.531 -6.693 1.00 0.00 C ATOM 801 OD1 ASP A 55 -4.891 -2.856 -7.683 1.00 0.00 O ATOM 802 OD2 ASP A 55 -5.237 -4.434 -6.191 1.00 0.00 O ATOM 0 H ASP A 55 -1.196 -4.944 -6.187 1.00 0.00 H new ATOM 0 HA ASP A 55 -2.452 -3.053 -8.080 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -2.980 -3.975 -5.290 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -3.219 -2.263 -5.577 1.00 0.00 H new ATOM 807 N GLN A 56 -1.505 -0.910 -6.652 1.00 0.00 N ATOM 808 CA GLN A 56 -0.636 0.226 -6.338 1.00 0.00 C ATOM 809 C GLN A 56 -1.156 0.992 -5.121 1.00 0.00 C ATOM 810 O GLN A 56 -2.354 0.993 -4.847 1.00 0.00 O ATOM 811 CB GLN A 56 -0.534 1.169 -7.541 1.00 0.00 C ATOM 812 CG GLN A 56 0.440 2.320 -7.329 1.00 0.00 C ATOM 813 CD GLN A 56 0.525 3.258 -8.521 1.00 0.00 C ATOM 814 OE1 GLN A 56 -0.199 3.105 -9.506 1.00 0.00 O ATOM 815 NE2 GLN A 56 1.415 4.241 -8.435 1.00 0.00 N ATOM 0 H GLN A 56 -2.488 -0.666 -6.776 1.00 0.00 H new ATOM 0 HA GLN A 56 0.355 -0.163 -6.105 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -0.224 0.597 -8.416 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -1.522 1.575 -7.759 1.00 0.00 H new ATOM 0 HG2 GLN A 56 0.136 2.887 -6.449 1.00 0.00 H new ATOM 0 HG3 GLN A 56 1.431 1.916 -7.121 1.00 0.00 H new ATOM 0 HE21 GLN A 56 1.995 4.332 -7.601 1.00 0.00 H new ATOM 0 HE22 GLN A 56 1.518 4.904 -9.203 1.00 0.00 H new ATOM 824 N LEU A 57 -0.246 1.648 -4.400 1.00 0.00 N ATOM 825 CA LEU A 57 -0.617 2.424 -3.214 1.00 0.00 C ATOM 826 C LEU A 57 -0.415 3.918 -3.449 1.00 0.00 C ATOM 827 O LEU A 57 0.541 4.329 -4.111 1.00 0.00 O ATOM 828 CB LEU A 57 0.198 1.973 -1.997 1.00 0.00 C ATOM 829 CG LEU A 57 -0.607 1.774 -0.711 1.00 0.00 C ATOM 830 CD1 LEU A 57 0.237 1.073 0.343 1.00 0.00 C ATOM 831 CD2 LEU A 57 -1.117 3.109 -0.187 1.00 0.00 C ATOM 0 H LEU A 57 0.751 1.658 -4.615 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.674 2.245 -3.019 1.00 0.00 H new ATOM 0 HB2 LEU A 57 0.699 1.036 -2.242 1.00 0.00 H new ATOM 0 HB3 LEU A 57 0.978 2.711 -1.808 1.00 0.00 H new ATOM 0 HG LEU A 57 -1.467 1.144 -0.938 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -0.351 0.940 1.251 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.552 0.099 -0.032 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.116 1.677 0.566 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -1.687 2.947 0.728 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.272 3.764 0.023 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.758 3.573 -0.937 1.00 0.00 H new ATOM 843 N LEU A 58 -1.323 4.725 -2.901 1.00 0.00 N ATOM 844 CA LEU A 58 -1.251 6.176 -3.047 1.00 0.00 C ATOM 845 C LEU A 58 -1.016 6.860 -1.700 1.00 0.00 C ATOM 846 O LEU A 58 -0.074 7.640 -1.553 1.00 0.00 O ATOM 847 CB LEU A 58 -2.535 6.714 -3.684 1.00 0.00 C ATOM 848 CG LEU A 58 -2.395 7.154 -5.144 1.00 0.00 C ATOM 849 CD1 LEU A 58 -3.719 7.008 -5.875 1.00 0.00 C ATOM 850 CD2 LEU A 58 -1.893 8.589 -5.224 1.00 0.00 C ATOM 0 H LEU A 58 -2.117 4.397 -2.352 1.00 0.00 H new ATOM 0 HA LEU A 58 -0.406 6.400 -3.697 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -3.304 5.943 -3.624 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -2.887 7.562 -3.096 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.663 6.508 -5.629 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -3.600 7.325 -6.911 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -4.036 5.965 -5.849 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -4.473 7.628 -5.390 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -1.800 8.884 -6.269 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.599 9.250 -4.722 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.920 8.662 -4.738 1.00 0.00 H new ATOM 862 N SER A 59 -1.880 6.575 -0.721 1.00 0.00 N ATOM 863 CA SER A 59 -1.755 7.184 0.603 1.00 0.00 C ATOM 864 C SER A 59 -2.056 6.186 1.722 1.00 0.00 C ATOM 865 O SER A 59 -2.793 5.216 1.529 1.00 0.00 O ATOM 866 CB SER A 59 -2.692 8.391 0.722 1.00 0.00 C ATOM 867 OG SER A 59 -4.052 7.995 0.658 1.00 0.00 O ATOM 0 H SER A 59 -2.666 5.932 -0.820 1.00 0.00 H new ATOM 0 HA SER A 59 -0.721 7.510 0.714 1.00 0.00 H new ATOM 0 HB2 SER A 59 -2.505 8.908 1.663 1.00 0.00 H new ATOM 0 HB3 SER A 59 -2.479 9.100 -0.078 1.00 0.00 H new ATOM 0 HG SER A 59 -4.373 8.074 -0.265 1.00 0.00 H new ATOM 873 N VAL A 60 -1.481 6.447 2.897 1.00 0.00 N ATOM 874 CA VAL A 60 -1.679 5.596 4.066 1.00 0.00 C ATOM 875 C VAL A 60 -2.022 6.440 5.290 1.00 0.00 C ATOM 876 O VAL A 60 -1.190 7.210 5.775 1.00 0.00 O ATOM 877 CB VAL A 60 -0.426 4.748 4.371 1.00 0.00 C ATOM 878 CG1 VAL A 60 -0.655 3.861 5.591 1.00 0.00 C ATOM 879 CG2 VAL A 60 -0.038 3.914 3.159 1.00 0.00 C ATOM 0 H VAL A 60 -0.871 7.247 3.062 1.00 0.00 H new ATOM 0 HA VAL A 60 -2.507 4.924 3.838 1.00 0.00 H new ATOM 0 HB VAL A 60 0.398 5.424 4.598 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.242 3.273 5.787 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.876 4.484 6.458 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -1.494 3.192 5.402 1.00 0.00 H new ATOM 0 HG21 VAL A 60 0.847 3.323 3.393 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -0.860 3.248 2.897 1.00 0.00 H new ATOM 0 HG23 VAL A 60 0.177 4.573 2.318 1.00 0.00 H new ATOM 889 N ASP A 61 -3.255 6.297 5.778 1.00 0.00 N ATOM 890 CA ASP A 61 -3.722 7.050 6.944 1.00 0.00 C ATOM 891 C ASP A 61 -3.592 8.560 6.711 1.00 0.00 C ATOM 892 O ASP A 61 -3.294 9.320 7.636 1.00 0.00 O ATOM 893 CB ASP A 61 -2.938 6.634 8.196 1.00 0.00 C ATOM 894 CG ASP A 61 -3.523 5.407 8.871 1.00 0.00 C ATOM 895 OD1 ASP A 61 -3.531 4.328 8.241 1.00 0.00 O ATOM 896 OD2 ASP A 61 -3.972 5.526 10.030 1.00 0.00 O ATOM 0 H ASP A 61 -3.951 5.665 5.383 1.00 0.00 H new ATOM 0 HA ASP A 61 -4.776 6.820 7.097 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -1.902 6.434 7.922 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -2.926 7.462 8.904 1.00 0.00 H new ATOM 901 N GLY A 62 -3.819 8.987 5.467 1.00 0.00 N ATOM 902 CA GLY A 62 -3.723 10.397 5.127 1.00 0.00 C ATOM 903 C GLY A 62 -2.287 10.874 4.964 1.00 0.00 C ATOM 904 O GLY A 62 -1.980 12.033 5.251 1.00 0.00 O ATOM 0 H GLY A 62 -4.068 8.378 4.688 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -4.268 10.579 4.201 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -4.210 10.986 5.904 1.00 0.00 H new ATOM 908 N ARG A 63 -1.407 9.986 4.497 1.00 0.00 N ATOM 909 CA ARG A 63 0.000 10.329 4.292 1.00 0.00 C ATOM 910 C ARG A 63 0.449 9.942 2.886 1.00 0.00 C ATOM 911 O ARG A 63 -0.057 8.979 2.309 1.00 0.00 O ATOM 912 CB ARG A 63 0.886 9.635 5.330 1.00 0.00 C ATOM 913 CG ARG A 63 0.808 10.261 6.715 1.00 0.00 C ATOM 914 CD ARG A 63 1.810 9.635 7.674 1.00 0.00 C ATOM 915 NE ARG A 63 2.628 10.645 8.352 1.00 0.00 N ATOM 916 CZ ARG A 63 3.689 11.246 7.802 1.00 0.00 C ATOM 917 NH1 ARG A 63 4.062 10.950 6.559 1.00 0.00 N ATOM 918 NH2 ARG A 63 4.376 12.148 8.497 1.00 0.00 N ATOM 0 H ARG A 63 -1.645 9.024 4.254 1.00 0.00 H new ATOM 0 HA ARG A 63 0.102 11.408 4.410 1.00 0.00 H new ATOM 0 HB2 ARG A 63 0.598 8.586 5.398 1.00 0.00 H new ATOM 0 HB3 ARG A 63 1.920 9.660 4.987 1.00 0.00 H new ATOM 0 HG2 ARG A 63 0.996 11.332 6.641 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -0.200 10.141 7.112 1.00 0.00 H new ATOM 0 HD2 ARG A 63 1.278 9.041 8.417 1.00 0.00 H new ATOM 0 HD3 ARG A 63 2.459 8.952 7.125 1.00 0.00 H new ATOM 0 HE ARG A 63 2.372 10.906 9.304 1.00 0.00 H new ATOM 0 HH11 ARG A 63 3.538 10.261 6.020 1.00 0.00 H new ATOM 0 HH12 ARG A 63 4.872 11.412 6.146 1.00 0.00 H new ATOM 0 HH21 ARG A 63 4.094 12.381 9.449 1.00 0.00 H new ATOM 0 HH22 ARG A 63 5.185 12.606 8.078 1.00 0.00 H new ATOM 932 N SER A 64 1.401 10.699 2.341 1.00 0.00 N ATOM 933 CA SER A 64 1.918 10.437 0.999 1.00 0.00 C ATOM 934 C SER A 64 3.143 9.527 1.048 1.00 0.00 C ATOM 935 O SER A 64 4.065 9.752 1.836 1.00 0.00 O ATOM 936 CB SER A 64 2.272 11.753 0.301 1.00 0.00 C ATOM 937 OG SER A 64 2.601 11.538 -1.062 1.00 0.00 O ATOM 0 H SER A 64 1.829 11.498 2.808 1.00 0.00 H new ATOM 0 HA SER A 64 1.138 9.929 0.432 1.00 0.00 H new ATOM 0 HB2 SER A 64 1.431 12.442 0.370 1.00 0.00 H new ATOM 0 HB3 SER A 64 3.113 12.224 0.811 1.00 0.00 H new ATOM 0 HG SER A 64 2.821 12.394 -1.484 1.00 0.00 H new ATOM 943 N LEU A 65 3.148 8.502 0.196 1.00 0.00 N ATOM 944 CA LEU A 65 4.264 7.556 0.135 1.00 0.00 C ATOM 945 C LEU A 65 5.094 7.750 -1.134 1.00 0.00 C ATOM 946 O LEU A 65 6.292 7.464 -1.142 1.00 0.00 O ATOM 947 CB LEU A 65 3.761 6.111 0.197 1.00 0.00 C ATOM 948 CG LEU A 65 2.592 5.861 1.151 1.00 0.00 C ATOM 949 CD1 LEU A 65 1.350 5.458 0.370 1.00 0.00 C ATOM 950 CD2 LEU A 65 2.958 4.793 2.174 1.00 0.00 C ATOM 0 H LEU A 65 2.393 8.305 -0.461 1.00 0.00 H new ATOM 0 HA LEU A 65 4.897 7.753 1.000 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.461 5.806 -0.805 1.00 0.00 H new ATOM 0 HB3 LEU A 65 4.591 5.468 0.491 1.00 0.00 H new ATOM 0 HG LEU A 65 2.375 6.785 1.687 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.526 5.283 1.062 1.00 0.00 H new ATOM 0 HD12 LEU A 65 1.080 6.256 -0.322 1.00 0.00 H new ATOM 0 HD13 LEU A 65 1.553 4.545 -0.191 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.115 4.628 2.845 1.00 0.00 H new ATOM 0 HD22 LEU A 65 3.200 3.863 1.659 1.00 0.00 H new ATOM 0 HD23 LEU A 65 3.822 5.123 2.751 1.00 0.00 H new ATOM 962 N VAL A 66 4.458 8.225 -2.207 1.00 0.00 N ATOM 963 CA VAL A 66 5.152 8.442 -3.472 1.00 0.00 C ATOM 964 C VAL A 66 6.275 9.462 -3.312 1.00 0.00 C ATOM 965 O VAL A 66 6.042 10.673 -3.308 1.00 0.00 O ATOM 966 CB VAL A 66 4.176 8.895 -4.581 1.00 0.00 C ATOM 967 CG1 VAL A 66 4.927 9.340 -5.830 1.00 0.00 C ATOM 968 CG2 VAL A 66 3.207 7.771 -4.909 1.00 0.00 C ATOM 0 H VAL A 66 3.467 8.465 -2.223 1.00 0.00 H new ATOM 0 HA VAL A 66 5.587 7.488 -3.770 1.00 0.00 H new ATOM 0 HB VAL A 66 3.612 9.752 -4.213 1.00 0.00 H new ATOM 0 HG11 VAL A 66 4.213 9.653 -6.592 1.00 0.00 H new ATOM 0 HG12 VAL A 66 5.582 10.175 -5.582 1.00 0.00 H new ATOM 0 HG13 VAL A 66 5.524 8.511 -6.210 1.00 0.00 H new ATOM 0 HG21 VAL A 66 2.522 8.098 -5.692 1.00 0.00 H new ATOM 0 HG22 VAL A 66 3.764 6.900 -5.255 1.00 0.00 H new ATOM 0 HG23 VAL A 66 2.639 7.508 -4.016 1.00 0.00 H new ATOM 978 N GLY A 67 7.496 8.951 -3.174 1.00 0.00 N ATOM 979 CA GLY A 67 8.656 9.811 -3.008 1.00 0.00 C ATOM 980 C GLY A 67 9.683 9.239 -2.043 1.00 0.00 C ATOM 981 O GLY A 67 10.886 9.410 -2.242 1.00 0.00 O ATOM 0 H GLY A 67 7.703 7.952 -3.174 1.00 0.00 H new ATOM 0 HA2 GLY A 67 9.126 9.970 -3.979 1.00 0.00 H new ATOM 0 HA3 GLY A 67 8.330 10.787 -2.648 1.00 0.00 H new ATOM 985 N LEU A 68 9.209 8.557 -0.999 1.00 0.00 N ATOM 986 CA LEU A 68 10.101 7.958 -0.003 1.00 0.00 C ATOM 987 C LEU A 68 10.519 6.549 -0.416 1.00 0.00 C ATOM 988 O LEU A 68 9.937 5.955 -1.326 1.00 0.00 O ATOM 989 CB LEU A 68 9.440 7.930 1.385 1.00 0.00 C ATOM 990 CG LEU A 68 7.966 7.513 1.418 1.00 0.00 C ATOM 991 CD1 LEU A 68 7.791 6.102 0.880 1.00 0.00 C ATOM 992 CD2 LEU A 68 7.417 7.613 2.832 1.00 0.00 C ATOM 0 H LEU A 68 8.216 8.406 -0.821 1.00 0.00 H new ATOM 0 HA LEU A 68 10.995 8.580 0.053 1.00 0.00 H new ATOM 0 HB2 LEU A 68 10.004 7.248 2.021 1.00 0.00 H new ATOM 0 HB3 LEU A 68 9.526 8.923 1.827 1.00 0.00 H new ATOM 0 HG LEU A 68 7.405 8.194 0.778 1.00 0.00 H new ATOM 0 HD11 LEU A 68 6.737 5.828 0.913 1.00 0.00 H new ATOM 0 HD12 LEU A 68 8.145 6.059 -0.150 1.00 0.00 H new ATOM 0 HD13 LEU A 68 8.366 5.406 1.491 1.00 0.00 H new ATOM 0 HD21 LEU A 68 6.369 7.313 2.837 1.00 0.00 H new ATOM 0 HD22 LEU A 68 7.986 6.956 3.490 1.00 0.00 H new ATOM 0 HD23 LEU A 68 7.502 8.641 3.183 1.00 0.00 H new ATOM 1004 N SER A 69 11.537 6.023 0.263 1.00 0.00 N ATOM 1005 CA SER A 69 12.045 4.684 -0.020 1.00 0.00 C ATOM 1006 C SER A 69 11.068 3.621 0.469 1.00 0.00 C ATOM 1007 O SER A 69 10.209 3.895 1.308 1.00 0.00 O ATOM 1008 CB SER A 69 13.410 4.487 0.643 1.00 0.00 C ATOM 1009 OG SER A 69 13.908 3.180 0.414 1.00 0.00 O ATOM 0 H SER A 69 12.027 6.507 1.016 1.00 0.00 H new ATOM 0 HA SER A 69 12.155 4.580 -1.099 1.00 0.00 H new ATOM 0 HB2 SER A 69 14.115 5.221 0.254 1.00 0.00 H new ATOM 0 HB3 SER A 69 13.325 4.664 1.715 1.00 0.00 H new ATOM 0 HG SER A 69 14.782 3.082 0.847 1.00 0.00 H new ATOM 1015 N GLN A 70 11.209 2.406 -0.059 1.00 0.00 N ATOM 1016 CA GLN A 70 10.338 1.299 0.325 1.00 0.00 C ATOM 1017 C GLN A 70 10.320 1.115 1.841 1.00 0.00 C ATOM 1018 O GLN A 70 9.256 0.934 2.437 1.00 0.00 O ATOM 1019 CB GLN A 70 10.779 0.002 -0.354 1.00 0.00 C ATOM 1020 CG GLN A 70 9.618 -0.920 -0.683 1.00 0.00 C ATOM 1021 CD GLN A 70 10.070 -2.272 -1.193 1.00 0.00 C ATOM 1022 OE1 GLN A 70 10.092 -2.519 -2.394 1.00 0.00 O ATOM 1023 NE2 GLN A 70 10.433 -3.158 -0.281 1.00 0.00 N ATOM 0 H GLN A 70 11.917 2.165 -0.752 1.00 0.00 H new ATOM 0 HA GLN A 70 9.328 1.542 -0.005 1.00 0.00 H new ATOM 0 HB2 GLN A 70 11.316 0.243 -1.272 1.00 0.00 H new ATOM 0 HB3 GLN A 70 11.479 -0.522 0.296 1.00 0.00 H new ATOM 0 HG2 GLN A 70 9.006 -1.059 0.208 1.00 0.00 H new ATOM 0 HG3 GLN A 70 8.985 -0.446 -1.434 1.00 0.00 H new ATOM 0 HE21 GLN A 70 10.400 -2.914 0.709 1.00 0.00 H new ATOM 0 HE22 GLN A 70 10.746 -4.086 -0.567 1.00 0.00 H new ATOM 1032 N GLU A 71 11.501 1.174 2.460 1.00 0.00 N ATOM 1033 CA GLU A 71 11.616 1.027 3.908 1.00 0.00 C ATOM 1034 C GLU A 71 10.846 2.136 4.627 1.00 0.00 C ATOM 1035 O GLU A 71 10.190 1.887 5.638 1.00 0.00 O ATOM 1036 CB GLU A 71 13.086 1.047 4.334 1.00 0.00 C ATOM 1037 CG GLU A 71 13.859 -0.202 3.936 1.00 0.00 C ATOM 1038 CD GLU A 71 13.528 -1.405 4.803 1.00 0.00 C ATOM 1039 OE1 GLU A 71 13.359 -1.230 6.029 1.00 0.00 O ATOM 1040 OE2 GLU A 71 13.440 -2.523 4.254 1.00 0.00 O ATOM 0 H GLU A 71 12.389 1.322 1.980 1.00 0.00 H new ATOM 0 HA GLU A 71 11.183 0.066 4.187 1.00 0.00 H new ATOM 0 HB2 GLU A 71 13.570 1.918 3.893 1.00 0.00 H new ATOM 0 HB3 GLU A 71 13.139 1.166 5.416 1.00 0.00 H new ATOM 0 HG2 GLU A 71 13.642 -0.441 2.895 1.00 0.00 H new ATOM 0 HG3 GLU A 71 14.928 0.003 4.000 1.00 0.00 H new ATOM 1047 N ARG A 72 10.916 3.358 4.091 1.00 0.00 N ATOM 1048 CA ARG A 72 10.211 4.496 4.677 1.00 0.00 C ATOM 1049 C ARG A 72 8.699 4.362 4.478 1.00 0.00 C ATOM 1050 O ARG A 72 7.917 4.747 5.348 1.00 0.00 O ATOM 1051 CB ARG A 72 10.704 5.810 4.059 1.00 0.00 C ATOM 1052 CG ARG A 72 11.792 6.497 4.870 1.00 0.00 C ATOM 1053 CD ARG A 72 11.204 7.309 6.013 1.00 0.00 C ATOM 1054 NE ARG A 72 11.207 8.746 5.728 1.00 0.00 N ATOM 1055 CZ ARG A 72 12.286 9.529 5.826 1.00 0.00 C ATOM 1056 NH1 ARG A 72 13.462 9.019 6.183 1.00 0.00 N ATOM 1057 NH2 ARG A 72 12.186 10.829 5.562 1.00 0.00 N ATOM 0 H ARG A 72 11.454 3.582 3.254 1.00 0.00 H new ATOM 0 HA ARG A 72 10.421 4.507 5.746 1.00 0.00 H new ATOM 0 HB2 ARG A 72 11.082 5.610 3.056 1.00 0.00 H new ATOM 0 HB3 ARG A 72 9.859 6.490 3.952 1.00 0.00 H new ATOM 0 HG2 ARG A 72 12.478 5.749 5.268 1.00 0.00 H new ATOM 0 HG3 ARG A 72 12.375 7.150 4.220 1.00 0.00 H new ATOM 0 HD2 ARG A 72 10.182 6.980 6.203 1.00 0.00 H new ATOM 0 HD3 ARG A 72 11.774 7.119 6.922 1.00 0.00 H new ATOM 0 HE ARG A 72 10.330 9.177 5.436 1.00 0.00 H new ATOM 0 HH11 ARG A 72 13.546 8.023 6.385 1.00 0.00 H new ATOM 0 HH12 ARG A 72 14.280 9.624 6.255 1.00 0.00 H new ATOM 0 HH21 ARG A 72 11.288 11.226 5.286 1.00 0.00 H new ATOM 0 HH22 ARG A 72 13.007 11.429 5.636 1.00 0.00 H new ATOM 1071 N ALA A 73 8.294 3.814 3.329 1.00 0.00 N ATOM 1072 CA ALA A 73 6.877 3.632 3.021 1.00 0.00 C ATOM 1073 C ALA A 73 6.263 2.515 3.863 1.00 0.00 C ATOM 1074 O ALA A 73 5.336 2.752 4.641 1.00 0.00 O ATOM 1075 CB ALA A 73 6.685 3.342 1.538 1.00 0.00 C ATOM 0 H ALA A 73 8.928 3.490 2.599 1.00 0.00 H new ATOM 0 HA ALA A 73 6.362 4.561 3.268 1.00 0.00 H new ATOM 0 HB1 ALA A 73 5.624 3.209 1.328 1.00 0.00 H new ATOM 0 HB2 ALA A 73 7.070 4.176 0.951 1.00 0.00 H new ATOM 0 HB3 ALA A 73 7.224 2.433 1.272 1.00 0.00 H new ATOM 1081 N ALA A 74 6.790 1.299 3.703 1.00 0.00 N ATOM 1082 CA ALA A 74 6.300 0.140 4.448 1.00 0.00 C ATOM 1083 C ALA A 74 6.314 0.401 5.953 1.00 0.00 C ATOM 1084 O ALA A 74 5.387 0.009 6.666 1.00 0.00 O ATOM 1085 CB ALA A 74 7.132 -1.092 4.119 1.00 0.00 C ATOM 0 H ALA A 74 7.557 1.093 3.063 1.00 0.00 H new ATOM 0 HA ALA A 74 5.268 -0.039 4.147 1.00 0.00 H new ATOM 0 HB1 ALA A 74 6.755 -1.946 4.681 1.00 0.00 H new ATOM 0 HB2 ALA A 74 7.065 -1.302 3.052 1.00 0.00 H new ATOM 0 HB3 ALA A 74 8.173 -0.911 4.388 1.00 0.00 H new ATOM 1091 N GLU A 75 7.364 1.070 6.430 1.00 0.00 N ATOM 1092 CA GLU A 75 7.489 1.387 7.849 1.00 0.00 C ATOM 1093 C GLU A 75 6.350 2.300 8.305 1.00 0.00 C ATOM 1094 O GLU A 75 5.685 2.021 9.302 1.00 0.00 O ATOM 1095 CB GLU A 75 8.838 2.051 8.138 1.00 0.00 C ATOM 1096 CG GLU A 75 9.044 2.393 9.607 1.00 0.00 C ATOM 1097 CD GLU A 75 10.383 1.925 10.145 1.00 0.00 C ATOM 1098 OE1 GLU A 75 10.681 0.716 10.033 1.00 0.00 O ATOM 1099 OE2 GLU A 75 11.130 2.766 10.686 1.00 0.00 O ATOM 0 H GLU A 75 8.138 1.401 5.854 1.00 0.00 H new ATOM 0 HA GLU A 75 7.431 0.452 8.407 1.00 0.00 H new ATOM 0 HB2 GLU A 75 9.638 1.387 7.812 1.00 0.00 H new ATOM 0 HB3 GLU A 75 8.920 2.963 7.546 1.00 0.00 H new ATOM 0 HG2 GLU A 75 8.964 3.472 9.737 1.00 0.00 H new ATOM 0 HG3 GLU A 75 8.245 1.941 10.195 1.00 0.00 H new ATOM 1106 N LEU A 76 6.127 3.385 7.563 1.00 0.00 N ATOM 1107 CA LEU A 76 5.061 4.332 7.889 1.00 0.00 C ATOM 1108 C LEU A 76 3.699 3.634 7.950 1.00 0.00 C ATOM 1109 O LEU A 76 2.829 4.030 8.725 1.00 0.00 O ATOM 1110 CB LEU A 76 5.018 5.466 6.859 1.00 0.00 C ATOM 1111 CG LEU A 76 6.006 6.611 7.100 1.00 0.00 C ATOM 1112 CD1 LEU A 76 6.210 7.412 5.823 1.00 0.00 C ATOM 1113 CD2 LEU A 76 5.518 7.511 8.227 1.00 0.00 C ATOM 0 H LEU A 76 6.669 3.629 6.734 1.00 0.00 H new ATOM 0 HA LEU A 76 5.278 4.750 8.872 1.00 0.00 H new ATOM 0 HB2 LEU A 76 5.210 5.045 5.872 1.00 0.00 H new ATOM 0 HB3 LEU A 76 4.009 5.878 6.839 1.00 0.00 H new ATOM 0 HG LEU A 76 6.964 6.185 7.396 1.00 0.00 H new ATOM 0 HD11 LEU A 76 6.915 8.222 6.010 1.00 0.00 H new ATOM 0 HD12 LEU A 76 6.605 6.760 5.044 1.00 0.00 H new ATOM 0 HD13 LEU A 76 5.256 7.828 5.498 1.00 0.00 H new ATOM 0 HD21 LEU A 76 6.233 8.319 8.383 1.00 0.00 H new ATOM 0 HD22 LEU A 76 4.548 7.932 7.963 1.00 0.00 H new ATOM 0 HD23 LEU A 76 5.423 6.928 9.143 1.00 0.00 H new ATOM 1125 N MET A 77 3.521 2.596 7.129 1.00 0.00 N ATOM 1126 CA MET A 77 2.265 1.850 7.092 1.00 0.00 C ATOM 1127 C MET A 77 2.076 1.006 8.351 1.00 0.00 C ATOM 1128 O MET A 77 1.092 1.176 9.070 1.00 0.00 O ATOM 1129 CB MET A 77 2.212 0.953 5.854 1.00 0.00 C ATOM 1130 CG MET A 77 2.009 1.712 4.554 1.00 0.00 C ATOM 1131 SD MET A 77 2.898 0.970 3.172 1.00 0.00 S ATOM 1132 CE MET A 77 1.988 -0.560 2.975 1.00 0.00 C ATOM 0 H MET A 77 4.232 2.255 6.482 1.00 0.00 H new ATOM 0 HA MET A 77 1.454 2.577 7.045 1.00 0.00 H new ATOM 0 HB2 MET A 77 3.139 0.383 5.790 1.00 0.00 H new ATOM 0 HB3 MET A 77 1.403 0.233 5.973 1.00 0.00 H new ATOM 0 HG2 MET A 77 0.945 1.747 4.320 1.00 0.00 H new ATOM 0 HG3 MET A 77 2.341 2.742 4.683 1.00 0.00 H new ATOM 0 HE1 MET A 77 2.669 -1.405 3.081 1.00 0.00 H new ATOM 0 HE2 MET A 77 1.212 -0.622 3.738 1.00 0.00 H new ATOM 0 HE3 MET A 77 1.529 -0.586 1.987 1.00 0.00 H new ATOM 1142 N THR A 78 3.014 0.095 8.620 1.00 0.00 N ATOM 1143 CA THR A 78 2.920 -0.760 9.806 1.00 0.00 C ATOM 1144 C THR A 78 2.884 0.084 11.079 1.00 0.00 C ATOM 1145 O THR A 78 2.219 -0.272 12.054 1.00 0.00 O ATOM 1146 CB THR A 78 4.082 -1.762 9.859 1.00 0.00 C ATOM 1147 OG1 THR A 78 4.046 -2.515 11.061 1.00 0.00 O ATOM 1148 CG2 THR A 78 5.455 -1.125 9.760 1.00 0.00 C ATOM 0 H THR A 78 3.838 -0.069 8.041 1.00 0.00 H new ATOM 0 HA THR A 78 1.990 -1.324 9.738 1.00 0.00 H new ATOM 0 HB THR A 78 3.938 -2.396 8.984 1.00 0.00 H new ATOM 0 HG1 THR A 78 4.794 -3.148 11.073 1.00 0.00 H new ATOM 0 HG21 THR A 78 6.220 -1.900 9.805 1.00 0.00 H new ATOM 0 HG22 THR A 78 5.539 -0.587 8.816 1.00 0.00 H new ATOM 0 HG23 THR A 78 5.594 -0.430 10.588 1.00 0.00 H new ATOM 1156 N ARG A 79 3.596 1.208 11.056 1.00 0.00 N ATOM 1157 CA ARG A 79 3.650 2.111 12.200 1.00 0.00 C ATOM 1158 C ARG A 79 2.484 3.113 12.183 1.00 0.00 C ATOM 1159 O ARG A 79 2.694 4.323 12.295 1.00 0.00 O ATOM 1160 CB ARG A 79 4.992 2.854 12.219 1.00 0.00 C ATOM 1161 CG ARG A 79 6.185 1.955 12.515 1.00 0.00 C ATOM 1162 CD ARG A 79 7.498 2.712 12.400 1.00 0.00 C ATOM 1163 NE ARG A 79 7.761 3.543 13.574 1.00 0.00 N ATOM 1164 CZ ARG A 79 8.264 3.081 14.723 1.00 0.00 C ATOM 1165 NH1 ARG A 79 8.541 1.788 14.869 1.00 0.00 N ATOM 1166 NH2 ARG A 79 8.482 3.919 15.731 1.00 0.00 N ATOM 0 H ARG A 79 4.145 1.515 10.253 1.00 0.00 H new ATOM 0 HA ARG A 79 3.558 1.513 13.106 1.00 0.00 H new ATOM 0 HB2 ARG A 79 5.143 3.338 11.254 1.00 0.00 H new ATOM 0 HB3 ARG A 79 4.949 3.644 12.968 1.00 0.00 H new ATOM 0 HG2 ARG A 79 6.089 1.541 13.519 1.00 0.00 H new ATOM 0 HG3 ARG A 79 6.188 1.113 11.822 1.00 0.00 H new ATOM 0 HD2 ARG A 79 8.315 2.002 12.269 1.00 0.00 H new ATOM 0 HD3 ARG A 79 7.476 3.340 11.510 1.00 0.00 H new ATOM 0 HE ARG A 79 7.547 4.538 13.512 1.00 0.00 H new ATOM 0 HH11 ARG A 79 8.370 1.140 14.100 1.00 0.00 H new ATOM 0 HH12 ARG A 79 8.925 1.445 15.750 1.00 0.00 H new ATOM 0 HH21 ARG A 79 8.266 4.910 15.626 1.00 0.00 H new ATOM 0 HH22 ARG A 79 8.866 3.571 16.610 1.00 0.00 H new ATOM 1180 N THR A 80 1.255 2.601 12.052 1.00 0.00 N ATOM 1181 CA THR A 80 0.058 3.449 12.036 1.00 0.00 C ATOM 1182 C THR A 80 -0.767 3.256 13.312 1.00 0.00 C ATOM 1183 O THR A 80 -0.390 2.480 14.194 1.00 0.00 O ATOM 1184 CB THR A 80 -0.811 3.144 10.810 1.00 0.00 C ATOM 1185 OG1 THR A 80 -0.920 1.743 10.599 1.00 0.00 O ATOM 1186 CG2 THR A 80 -0.290 3.776 9.537 1.00 0.00 C ATOM 0 H THR A 80 1.063 1.604 11.956 1.00 0.00 H new ATOM 0 HA THR A 80 0.390 4.486 11.985 1.00 0.00 H new ATOM 0 HB THR A 80 -1.787 3.576 11.032 1.00 0.00 H new ATOM 0 HG1 THR A 80 -0.170 1.436 10.048 1.00 0.00 H new ATOM 0 HG21 THR A 80 -0.950 3.521 8.708 1.00 0.00 H new ATOM 0 HG22 THR A 80 -0.257 4.859 9.655 1.00 0.00 H new ATOM 0 HG23 THR A 80 0.713 3.403 9.330 1.00 0.00 H new ATOM 1194 N SER A 81 -1.898 3.965 13.402 1.00 0.00 N ATOM 1195 CA SER A 81 -2.781 3.868 14.565 1.00 0.00 C ATOM 1196 C SER A 81 -3.683 2.633 14.463 1.00 0.00 C ATOM 1197 O SER A 81 -3.529 1.819 13.550 1.00 0.00 O ATOM 1198 CB SER A 81 -3.629 5.141 14.696 1.00 0.00 C ATOM 1199 OG SER A 81 -3.172 5.951 15.767 1.00 0.00 O ATOM 0 H SER A 81 -2.221 4.611 12.682 1.00 0.00 H new ATOM 0 HA SER A 81 -2.163 3.765 15.457 1.00 0.00 H new ATOM 0 HB2 SER A 81 -3.588 5.706 13.765 1.00 0.00 H new ATOM 0 HB3 SER A 81 -4.672 4.871 14.859 1.00 0.00 H new ATOM 0 HG SER A 81 -3.727 6.756 15.828 1.00 0.00 H new ATOM 1205 N SER A 82 -4.622 2.498 15.404 1.00 0.00 N ATOM 1206 CA SER A 82 -5.545 1.361 15.417 1.00 0.00 C ATOM 1207 C SER A 82 -6.240 1.196 14.063 1.00 0.00 C ATOM 1208 O SER A 82 -6.359 0.081 13.550 1.00 0.00 O ATOM 1209 CB SER A 82 -6.590 1.534 16.524 1.00 0.00 C ATOM 1210 OG SER A 82 -7.345 2.719 16.336 1.00 0.00 O ATOM 0 H SER A 82 -4.762 3.162 16.166 1.00 0.00 H new ATOM 0 HA SER A 82 -4.962 0.461 15.614 1.00 0.00 H new ATOM 0 HB2 SER A 82 -7.258 0.672 16.535 1.00 0.00 H new ATOM 0 HB3 SER A 82 -6.094 1.566 17.494 1.00 0.00 H new ATOM 0 HG SER A 82 -8.005 2.804 17.055 1.00 0.00 H new ATOM 1216 N VAL A 83 -6.694 2.311 13.489 1.00 0.00 N ATOM 1217 CA VAL A 83 -7.371 2.286 12.196 1.00 0.00 C ATOM 1218 C VAL A 83 -6.378 2.515 11.058 1.00 0.00 C ATOM 1219 O VAL A 83 -5.468 3.336 11.174 1.00 0.00 O ATOM 1220 CB VAL A 83 -8.490 3.349 12.116 1.00 0.00 C ATOM 1221 CG1 VAL A 83 -9.295 3.190 10.834 1.00 0.00 C ATOM 1222 CG2 VAL A 83 -9.400 3.261 13.330 1.00 0.00 C ATOM 0 H VAL A 83 -6.604 3.240 13.900 1.00 0.00 H new ATOM 0 HA VAL A 83 -7.821 1.299 12.093 1.00 0.00 H new ATOM 0 HB VAL A 83 -8.023 4.334 12.106 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -10.077 3.949 10.799 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -8.636 3.308 9.974 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -9.749 2.199 10.810 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -10.181 4.017 13.255 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -9.856 2.272 13.372 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -8.817 3.431 14.235 1.00 0.00 H new ATOM 1232 N VAL A 84 -6.563 1.782 9.962 1.00 0.00 N ATOM 1233 CA VAL A 84 -5.687 1.902 8.800 1.00 0.00 C ATOM 1234 C VAL A 84 -6.474 2.320 7.560 1.00 0.00 C ATOM 1235 O VAL A 84 -7.406 1.628 7.144 1.00 0.00 O ATOM 1236 CB VAL A 84 -4.947 0.581 8.501 1.00 0.00 C ATOM 1237 CG1 VAL A 84 -3.901 0.794 7.416 1.00 0.00 C ATOM 1238 CG2 VAL A 84 -4.307 0.021 9.765 1.00 0.00 C ATOM 0 H VAL A 84 -7.312 1.098 9.855 1.00 0.00 H new ATOM 0 HA VAL A 84 -4.952 2.670 9.043 1.00 0.00 H new ATOM 0 HB VAL A 84 -5.674 -0.147 8.141 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -3.387 -0.146 7.216 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -4.387 1.143 6.505 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -3.178 1.539 7.749 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -3.791 -0.910 9.530 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -3.592 0.742 10.161 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -5.079 -0.170 10.510 1.00 0.00 H new ATOM 1248 N THR A 85 -6.089 3.453 6.974 1.00 0.00 N ATOM 1249 CA THR A 85 -6.753 3.965 5.779 1.00 0.00 C ATOM 1250 C THR A 85 -5.812 3.922 4.575 1.00 0.00 C ATOM 1251 O THR A 85 -5.207 4.932 4.207 1.00 0.00 O ATOM 1252 CB THR A 85 -7.257 5.395 6.011 1.00 0.00 C ATOM 1253 OG1 THR A 85 -7.542 5.618 7.382 1.00 0.00 O ATOM 1254 CG2 THR A 85 -8.510 5.717 5.226 1.00 0.00 C ATOM 0 H THR A 85 -5.320 4.033 7.309 1.00 0.00 H new ATOM 0 HA THR A 85 -7.610 3.325 5.568 1.00 0.00 H new ATOM 0 HB THR A 85 -6.450 6.043 5.669 1.00 0.00 H new ATOM 0 HG1 THR A 85 -7.860 6.537 7.505 1.00 0.00 H new ATOM 0 HG21 THR A 85 -8.816 6.742 5.433 1.00 0.00 H new ATOM 0 HG22 THR A 85 -8.310 5.606 4.160 1.00 0.00 H new ATOM 0 HG23 THR A 85 -9.308 5.034 5.518 1.00 0.00 H new ATOM 1262 N LEU A 86 -5.694 2.743 3.968 1.00 0.00 N ATOM 1263 CA LEU A 86 -4.830 2.557 2.806 1.00 0.00 C ATOM 1264 C LEU A 86 -5.596 2.815 1.509 1.00 0.00 C ATOM 1265 O LEU A 86 -6.604 2.159 1.232 1.00 0.00 O ATOM 1266 CB LEU A 86 -4.255 1.137 2.793 1.00 0.00 C ATOM 1267 CG LEU A 86 -2.732 1.049 2.675 1.00 0.00 C ATOM 1268 CD1 LEU A 86 -2.089 1.010 4.055 1.00 0.00 C ATOM 1269 CD2 LEU A 86 -2.338 -0.176 1.859 1.00 0.00 C ATOM 0 H LEU A 86 -6.188 1.901 4.263 1.00 0.00 H new ATOM 0 HA LEU A 86 -4.013 3.275 2.876 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -4.562 0.630 3.708 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -4.700 0.590 1.961 1.00 0.00 H new ATOM 0 HG LEU A 86 -2.370 1.938 2.159 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -1.006 0.947 3.950 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -2.349 1.916 4.603 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -2.452 0.139 4.601 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -1.252 -0.228 1.782 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -2.710 -1.075 2.350 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -2.769 -0.102 0.861 1.00 0.00 H new ATOM 1281 N GLU A 87 -5.108 3.767 0.717 1.00 0.00 N ATOM 1282 CA GLU A 87 -5.740 4.107 -0.553 1.00 0.00 C ATOM 1283 C GLU A 87 -4.939 3.536 -1.721 1.00 0.00 C ATOM 1284 O GLU A 87 -3.886 4.067 -2.080 1.00 0.00 O ATOM 1285 CB GLU A 87 -5.871 5.627 -0.695 1.00 0.00 C ATOM 1286 CG GLU A 87 -6.829 6.058 -1.797 1.00 0.00 C ATOM 1287 CD GLU A 87 -6.749 7.543 -2.102 1.00 0.00 C ATOM 1288 OE1 GLU A 87 -5.622 8.067 -2.232 1.00 0.00 O ATOM 1289 OE2 GLU A 87 -7.816 8.182 -2.214 1.00 0.00 O ATOM 0 H GLU A 87 -4.276 4.316 0.934 1.00 0.00 H new ATOM 0 HA GLU A 87 -6.737 3.667 -0.568 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -6.211 6.044 0.253 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -4.887 6.051 -0.895 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -6.610 5.494 -2.703 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -7.848 5.807 -1.504 1.00 0.00 H new ATOM 1296 N VAL A 88 -5.442 2.450 -2.306 1.00 0.00 N ATOM 1297 CA VAL A 88 -4.768 1.807 -3.431 1.00 0.00 C ATOM 1298 C VAL A 88 -5.435 2.154 -4.760 1.00 0.00 C ATOM 1299 O VAL A 88 -6.514 2.749 -4.795 1.00 0.00 O ATOM 1300 CB VAL A 88 -4.727 0.270 -3.280 1.00 0.00 C ATOM 1301 CG1 VAL A 88 -3.778 -0.136 -2.163 1.00 0.00 C ATOM 1302 CG2 VAL A 88 -6.121 -0.290 -3.044 1.00 0.00 C ATOM 0 H VAL A 88 -6.311 1.999 -2.020 1.00 0.00 H new ATOM 0 HA VAL A 88 -3.748 2.190 -3.428 1.00 0.00 H new ATOM 0 HB VAL A 88 -4.351 -0.153 -4.212 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -3.764 -1.222 -2.074 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -2.774 0.222 -2.391 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -4.115 0.301 -1.223 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -6.065 -1.374 -2.941 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -6.536 0.140 -2.133 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -6.762 -0.038 -3.889 1.00 0.00 H new ATOM 1312 N ALA A 89 -4.778 1.768 -5.854 1.00 0.00 N ATOM 1313 CA ALA A 89 -5.288 2.025 -7.196 1.00 0.00 C ATOM 1314 C ALA A 89 -5.628 0.720 -7.911 1.00 0.00 C ATOM 1315 O ALA A 89 -4.750 0.059 -8.464 1.00 0.00 O ATOM 1316 CB ALA A 89 -4.272 2.829 -7.997 1.00 0.00 C ATOM 0 H ALA A 89 -3.886 1.273 -5.834 1.00 0.00 H new ATOM 0 HA ALA A 89 -6.206 2.607 -7.110 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -4.663 3.015 -8.997 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -4.085 3.780 -7.498 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -3.340 2.268 -8.070 1.00 0.00 H new ATOM 1322 N LYS A 90 -6.910 0.359 -7.892 1.00 0.00 N ATOM 1323 CA LYS A 90 -7.381 -0.865 -8.534 1.00 0.00 C ATOM 1324 C LYS A 90 -7.147 -0.816 -10.042 1.00 0.00 C ATOM 1325 O LYS A 90 -7.555 0.135 -10.713 1.00 0.00 O ATOM 1326 CB LYS A 90 -8.869 -1.083 -8.235 1.00 0.00 C ATOM 1327 CG LYS A 90 -9.233 -2.533 -7.947 1.00 0.00 C ATOM 1328 CD LYS A 90 -10.717 -2.689 -7.641 1.00 0.00 C ATOM 1329 CE LYS A 90 -11.118 -1.940 -6.375 1.00 0.00 C ATOM 1330 NZ LYS A 90 -11.647 -0.575 -6.667 1.00 0.00 N ATOM 0 H LYS A 90 -7.644 0.901 -7.436 1.00 0.00 H new ATOM 0 HA LYS A 90 -6.813 -1.702 -8.128 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -9.151 -0.471 -7.379 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -9.456 -0.733 -9.084 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -8.971 -3.152 -8.805 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -8.647 -2.895 -7.102 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -11.302 -2.319 -8.483 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -10.955 -3.747 -7.528 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -11.875 -2.514 -5.841 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -10.255 -1.859 -5.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -12.435 -0.363 -6.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -10.891 0.126 -6.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -11.984 -0.536 -7.650 1.00 0.00 H new ATOM 1344 N GLN A 91 -6.481 -1.843 -10.566 1.00 0.00 N ATOM 1345 CA GLN A 91 -6.186 -1.916 -11.996 1.00 0.00 C ATOM 1346 C GLN A 91 -6.145 -3.362 -12.481 1.00 0.00 C ATOM 1347 O GLN A 91 -6.162 -4.301 -11.681 1.00 0.00 O ATOM 1348 CB GLN A 91 -4.847 -1.237 -12.291 1.00 0.00 C ATOM 1349 CG GLN A 91 -3.651 -1.963 -11.692 1.00 0.00 C ATOM 1350 CD GLN A 91 -2.664 -1.020 -11.031 1.00 0.00 C ATOM 1351 OE1 GLN A 91 -2.588 -1.070 -9.706 1.00 0.00 O flip ATOM 1352 NE2 GLN A 91 -1.976 -0.254 -11.705 1.00 0.00 N flip ATOM 0 H GLN A 91 -6.136 -2.635 -10.023 1.00 0.00 H new ATOM 0 HA GLN A 91 -6.984 -1.399 -12.529 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -4.715 -1.166 -13.371 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -4.873 -0.218 -11.906 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -4.002 -2.688 -10.958 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -3.142 -2.524 -12.476 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -2.066 -0.248 -12.721 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -1.316 0.375 -11.248 1.00 0.00 H new ATOM 1361 N GLY A 92 -6.081 -3.529 -13.800 1.00 0.00 N ATOM 1362 CA GLY A 92 -6.028 -4.859 -14.383 1.00 0.00 C ATOM 1363 C GLY A 92 -4.629 -5.422 -14.483 1.00 0.00 C ATOM 1364 O GLY A 92 -4.439 -6.585 -14.841 1.00 0.00 O ATOM 0 H GLY A 92 -6.065 -2.765 -14.476 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -6.640 -5.534 -13.784 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -6.470 -4.828 -15.379 1.00 0.00 H new ATOM 1368 N ALA A 93 -3.666 -4.584 -14.169 1.00 0.00 N ATOM 1369 CA ALA A 93 -2.250 -4.947 -14.211 1.00 0.00 C ATOM 1370 C ALA A 93 -1.757 -5.136 -15.648 1.00 0.00 C ATOM 1371 O ALA A 93 -2.563 -4.941 -16.586 1.00 0.00 O ATOM 1372 CB ALA A 93 -2.000 -6.206 -13.385 1.00 0.00 C ATOM 1373 OXT ALA A 93 -0.562 -5.460 -15.826 1.00 0.00 O ATOM 0 H ALA A 93 -3.835 -3.622 -13.874 1.00 0.00 H new ATOM 0 HA ALA A 93 -1.683 -4.124 -13.777 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -0.942 -6.464 -13.426 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -2.290 -6.026 -12.350 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -2.590 -7.029 -13.789 1.00 0.00 H new TER 1379 ALA A 93 ATOM 1380 N LEU B 99 16.030 -6.425 -5.947 1.00 0.00 N ATOM 1381 CA LEU B 99 15.000 -7.238 -5.241 1.00 0.00 C ATOM 1382 C LEU B 99 14.190 -6.373 -4.274 1.00 0.00 C ATOM 1383 O LEU B 99 14.570 -6.199 -3.114 1.00 0.00 O ATOM 1384 CB LEU B 99 15.699 -8.373 -4.481 1.00 0.00 C ATOM 1385 CG LEU B 99 16.597 -9.279 -5.332 1.00 0.00 C ATOM 1386 CD1 LEU B 99 18.044 -9.187 -4.865 1.00 0.00 C ATOM 1387 CD2 LEU B 99 16.106 -10.720 -5.279 1.00 0.00 C ATOM 0 HA LEU B 99 14.308 -7.654 -5.974 1.00 0.00 H new ATOM 0 HB2 LEU B 99 16.302 -7.937 -3.685 1.00 0.00 H new ATOM 0 HB3 LEU B 99 14.938 -8.990 -4.003 1.00 0.00 H new ATOM 0 HG LEU B 99 16.549 -8.939 -6.366 1.00 0.00 H new ATOM 0 HD11 LEU B 99 18.667 -9.836 -5.480 1.00 0.00 H new ATOM 0 HD12 LEU B 99 18.391 -8.158 -4.957 1.00 0.00 H new ATOM 0 HD13 LEU B 99 18.111 -9.501 -3.823 1.00 0.00 H new ATOM 0 HD21 LEU B 99 16.755 -11.348 -5.889 1.00 0.00 H new ATOM 0 HD22 LEU B 99 16.124 -11.073 -4.248 1.00 0.00 H new ATOM 0 HD23 LEU B 99 15.087 -10.772 -5.663 1.00 0.00 H new ATOM 1401 N PHE B 100 13.077 -5.826 -4.761 1.00 0.00 N ATOM 1402 CA PHE B 100 12.221 -4.973 -3.941 1.00 0.00 C ATOM 1403 C PHE B 100 10.969 -5.723 -3.489 1.00 0.00 C ATOM 1404 O PHE B 100 10.159 -6.145 -4.317 1.00 0.00 O ATOM 1405 CB PHE B 100 11.820 -3.714 -4.720 1.00 0.00 C ATOM 1406 CG PHE B 100 12.988 -2.896 -5.200 1.00 0.00 C ATOM 1407 CD1 PHE B 100 13.877 -2.335 -4.297 1.00 0.00 C ATOM 1408 CD2 PHE B 100 13.197 -2.692 -6.555 1.00 0.00 C ATOM 1409 CE1 PHE B 100 14.952 -1.587 -4.736 1.00 0.00 C ATOM 1410 CE2 PHE B 100 14.270 -1.944 -7.000 1.00 0.00 C ATOM 1411 CZ PHE B 100 15.149 -1.392 -6.089 1.00 0.00 C ATOM 0 H PHE B 100 12.748 -5.959 -5.717 1.00 0.00 H new ATOM 0 HA PHE B 100 12.787 -4.682 -3.056 1.00 0.00 H new ATOM 0 HB2 PHE B 100 11.217 -4.007 -5.579 1.00 0.00 H new ATOM 0 HB3 PHE B 100 11.189 -3.091 -4.085 1.00 0.00 H new ATOM 0 HD1 PHE B 100 13.728 -2.484 -3.238 1.00 0.00 H new ATOM 0 HD2 PHE B 100 12.513 -3.123 -7.271 1.00 0.00 H new ATOM 0 HE1 PHE B 100 15.638 -1.155 -4.022 1.00 0.00 H new ATOM 0 HE2 PHE B 100 14.421 -1.791 -8.058 1.00 0.00 H new ATOM 0 HZ PHE B 100 15.990 -0.808 -6.434 1.00 0.00 H new ATOM 1421 N SER B 101 10.818 -5.885 -2.173 1.00 0.00 N ATOM 1422 CA SER B 101 9.657 -6.580 -1.612 1.00 0.00 C ATOM 1423 C SER B 101 9.658 -6.544 -0.079 1.00 0.00 C ATOM 1424 O SER B 101 10.574 -7.061 0.564 1.00 0.00 O ATOM 1425 CB SER B 101 9.615 -8.032 -2.104 1.00 0.00 C ATOM 1426 OG SER B 101 8.620 -8.778 -1.419 1.00 0.00 O ATOM 0 H SER B 101 11.483 -5.546 -1.478 1.00 0.00 H new ATOM 0 HA SER B 101 8.765 -6.057 -1.957 1.00 0.00 H new ATOM 0 HB2 SER B 101 9.414 -8.050 -3.175 1.00 0.00 H new ATOM 0 HB3 SER B 101 10.589 -8.498 -1.955 1.00 0.00 H new ATOM 0 HG SER B 101 8.614 -9.699 -1.753 1.00 0.00 H new ATOM 1432 N THR B 102 8.612 -5.943 0.496 1.00 0.00 N ATOM 1433 CA THR B 102 8.469 -5.853 1.951 1.00 0.00 C ATOM 1434 C THR B 102 7.153 -6.498 2.398 1.00 0.00 C ATOM 1435 O THR B 102 6.225 -6.645 1.601 1.00 0.00 O ATOM 1436 CB THR B 102 8.534 -4.390 2.416 1.00 0.00 C ATOM 1437 OG1 THR B 102 9.834 -3.861 2.213 1.00 0.00 O ATOM 1438 CG2 THR B 102 8.191 -4.202 3.882 1.00 0.00 C ATOM 0 H THR B 102 7.850 -5.511 -0.026 1.00 0.00 H new ATOM 0 HA THR B 102 9.297 -6.394 2.410 1.00 0.00 H new ATOM 0 HB THR B 102 7.788 -3.866 1.818 1.00 0.00 H new ATOM 0 HG1 THR B 102 9.905 -2.989 2.654 1.00 0.00 H new ATOM 0 HG21 THR B 102 8.258 -3.145 4.139 1.00 0.00 H new ATOM 0 HG22 THR B 102 7.177 -4.557 4.067 1.00 0.00 H new ATOM 0 HG23 THR B 102 8.891 -4.769 4.495 1.00 0.00 H new ATOM 1446 N GLU B 103 7.081 -6.877 3.675 1.00 0.00 N ATOM 1447 CA GLU B 103 5.884 -7.503 4.228 1.00 0.00 C ATOM 1448 C GLU B 103 5.353 -6.685 5.407 1.00 0.00 C ATOM 1449 O GLU B 103 5.720 -6.918 6.561 1.00 0.00 O ATOM 1450 CB GLU B 103 6.175 -8.954 4.655 1.00 0.00 C ATOM 1451 CG GLU B 103 7.418 -9.117 5.522 1.00 0.00 C ATOM 1452 CD GLU B 103 7.347 -10.321 6.447 1.00 0.00 C ATOM 1453 OE1 GLU B 103 6.256 -10.597 6.993 1.00 0.00 O ATOM 1454 OE2 GLU B 103 8.389 -10.987 6.631 1.00 0.00 O ATOM 0 H GLU B 103 7.841 -6.760 4.345 1.00 0.00 H new ATOM 0 HA GLU B 103 5.117 -7.528 3.453 1.00 0.00 H new ATOM 0 HB2 GLU B 103 5.313 -9.339 5.200 1.00 0.00 H new ATOM 0 HB3 GLU B 103 6.287 -9.568 3.761 1.00 0.00 H new ATOM 0 HG2 GLU B 103 8.293 -9.212 4.878 1.00 0.00 H new ATOM 0 HG3 GLU B 103 7.558 -8.216 6.119 1.00 0.00 H new ATOM 1461 N VAL B 104 4.494 -5.712 5.097 1.00 0.00 N ATOM 1462 CA VAL B 104 3.914 -4.840 6.115 1.00 0.00 C ATOM 1463 C VAL B 104 2.705 -5.492 6.798 1.00 0.00 C ATOM 1464 O VAL B 104 2.480 -5.206 7.994 1.00 0.00 O ATOM 1465 CB VAL B 104 3.512 -3.471 5.507 1.00 0.00 C ATOM 1466 CG1 VAL B 104 2.311 -3.610 4.577 1.00 0.00 C ATOM 1467 CG2 VAL B 104 3.235 -2.451 6.605 1.00 0.00 C ATOM 1468 OXT VAL B 104 2.000 -6.289 6.139 1.00 0.00 O ATOM 0 H VAL B 104 4.185 -5.509 4.146 1.00 0.00 H new ATOM 0 HA VAL B 104 4.680 -4.676 6.873 1.00 0.00 H new ATOM 0 HB VAL B 104 4.352 -3.111 4.912 1.00 0.00 H new ATOM 0 HG11 VAL B 104 2.054 -2.634 4.167 1.00 0.00 H new ATOM 0 HG12 VAL B 104 2.558 -4.292 3.763 1.00 0.00 H new ATOM 0 HG13 VAL B 104 1.462 -4.004 5.136 1.00 0.00 H new ATOM 0 HG21 VAL B 104 2.955 -1.499 6.155 1.00 0.00 H new ATOM 0 HG22 VAL B 104 2.421 -2.808 7.236 1.00 0.00 H new ATOM 0 HG23 VAL B 104 4.131 -2.316 7.211 1.00 0.00 H new TER 1478 VAL B 104