USER MOD reduce.3.24.130724 H: found=0, std=0, add=764, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 762 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 24 HIS : no HD1:sc= 0 K(o=-1.2,f=-1.7) USER MOD Set 1.2: B 46 MET CE :methyl 165:sc= -1.19 (180deg=-1.7) USER MOD Set 2.1: A 46 MET CE :methyl 159:sc= -0.479 (180deg=-2.3) USER MOD Set 2.2: B 24 HIS : no HD1:sc= -0.185 K(o=-0.66,f=-4.1!) USER MOD Single : A 5 GLN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 7 LYS NZ :NH3+ 173:sc= 1.31 (180deg=1.07) USER MOD Single : A 8 ASN : amide:sc= -0.0592 K(o=-0.059,f=-0.65) USER MOD Single : A 9 LYS NZ :NH3+ -166:sc= -0.0344 (180deg=-0.261) USER MOD Single : A 12 ASN : amide:sc= -0.0771 X(o=-0.077,f=0) USER MOD Single : A 13 LYS NZ :NH3+ -164:sc= 2.46 (180deg=2.31) USER MOD Single : A 14 LYS NZ :NH3+ 175:sc= 1.84 (180deg=1.66) USER MOD Single : A 15 LYS NZ :NH3+ 164:sc= -0.0745 (180deg=-0.323) USER MOD Single : A 19 GLN : amide:sc= -0.364 X(o=-0.36,f=0) USER MOD Single : A 28 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot -82:sc= 1.17 USER MOD Single : A 40 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00651) USER MOD Single : A 43 ASN : amide:sc=-0.00278 X(o=-0.0028,f=-0.48) USER MOD Single : A 44 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0309) USER MOD Single : B 7 LYS NZ :NH3+ -173:sc= 1.21 (180deg=1.06) USER MOD Single : B 8 ASN : amide:sc= 0 X(o=0,f=-0.062) USER MOD Single : B 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 12 ASN : amide:sc= -0.0606 X(o=-0.061,f=0) USER MOD Single : B 13 LYS NZ :NH3+ -171:sc= 2.42 (180deg=2.4) USER MOD Single : B 14 LYS NZ :NH3+ -175:sc= 2.1 (180deg=1.93) USER MOD Single : B 15 LYS NZ :NH3+ -143:sc= -0.492 (180deg=-2.1!) USER MOD Single : B 19 GLN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : B 28 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 30 LYS NZ :NH3+ -169:sc= 1.84 (180deg=1.27) USER MOD Single : B 35 SER OG : rot -81:sc= 1.1 USER MOD Single : B 40 LYS NZ :NH3+ 147:sc= -0.876 (180deg=-2.45!) USER MOD Single : B 43 ASN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : B 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 59 N GLN A 5 15.779 -13.501 3.757 1.00 0.00 N ATOM 60 CA GLN A 5 16.454 -12.228 3.593 1.00 0.00 C ATOM 61 C GLN A 5 15.790 -11.394 2.511 1.00 0.00 C ATOM 62 O GLN A 5 15.922 -10.170 2.493 1.00 0.00 O ATOM 63 CB GLN A 5 17.955 -12.382 3.372 1.00 0.00 C ATOM 64 CG GLN A 5 18.687 -12.922 4.594 1.00 0.00 C ATOM 65 CD GLN A 5 20.195 -12.938 4.432 1.00 0.00 C ATOM 66 OE1 GLN A 5 20.773 -12.112 3.721 1.00 0.00 O ATOM 67 NE2 GLN A 5 20.843 -13.861 5.080 1.00 0.00 N ATOM 0 HA GLN A 5 16.351 -11.685 4.533 1.00 0.00 H new ATOM 0 HB2 GLN A 5 18.125 -13.051 2.529 1.00 0.00 H new ATOM 0 HB3 GLN A 5 18.377 -11.414 3.101 1.00 0.00 H new ATOM 0 HG2 GLN A 5 18.428 -12.315 5.462 1.00 0.00 H new ATOM 0 HG3 GLN A 5 18.340 -13.935 4.799 1.00 0.00 H new ATOM 0 HE21 GLN A 5 20.335 -14.529 5.660 1.00 0.00 H new ATOM 0 HE22 GLN A 5 21.859 -13.917 5.008 1.00 0.00 H new ATOM 76 N LEU A 6 15.061 -12.062 1.624 1.00 0.00 N ATOM 77 CA LEU A 6 14.236 -11.391 0.627 1.00 0.00 C ATOM 78 C LEU A 6 13.137 -10.623 1.362 1.00 0.00 C ATOM 79 O LEU A 6 12.877 -9.456 1.066 1.00 0.00 O ATOM 80 CB LEU A 6 13.676 -12.445 -0.382 1.00 0.00 C ATOM 81 CG LEU A 6 12.669 -12.007 -1.491 1.00 0.00 C ATOM 82 CD1 LEU A 6 11.252 -11.882 -0.953 1.00 0.00 C ATOM 83 CD2 LEU A 6 13.099 -10.703 -2.162 1.00 0.00 C ATOM 0 H LEU A 6 15.025 -13.080 1.576 1.00 0.00 H new ATOM 0 HA LEU A 6 14.814 -10.676 0.041 1.00 0.00 H new ATOM 0 HB2 LEU A 6 14.531 -12.901 -0.882 1.00 0.00 H new ATOM 0 HB3 LEU A 6 13.194 -13.229 0.202 1.00 0.00 H new ATOM 0 HG LEU A 6 12.675 -12.795 -2.244 1.00 0.00 H new ATOM 0 HD11 LEU A 6 10.583 -11.575 -1.757 1.00 0.00 H new ATOM 0 HD12 LEU A 6 10.927 -12.844 -0.558 1.00 0.00 H new ATOM 0 HD13 LEU A 6 11.229 -11.137 -0.158 1.00 0.00 H new ATOM 0 HD21 LEU A 6 12.373 -10.431 -2.928 1.00 0.00 H new ATOM 0 HD22 LEU A 6 13.153 -9.910 -1.416 1.00 0.00 H new ATOM 0 HD23 LEU A 6 14.078 -10.836 -2.622 1.00 0.00 H new ATOM 95 N LYS A 7 12.538 -11.280 2.354 1.00 0.00 N ATOM 96 CA LYS A 7 11.528 -10.668 3.208 1.00 0.00 C ATOM 97 C LYS A 7 12.101 -9.469 3.900 1.00 0.00 C ATOM 98 O LYS A 7 11.486 -8.428 3.943 1.00 0.00 O ATOM 99 CB LYS A 7 11.037 -11.661 4.256 1.00 0.00 C ATOM 100 CG LYS A 7 9.592 -12.104 4.070 1.00 0.00 C ATOM 101 CD LYS A 7 8.577 -10.997 4.379 1.00 0.00 C ATOM 102 CE LYS A 7 8.502 -10.676 5.861 1.00 0.00 C ATOM 103 NZ LYS A 7 7.461 -9.664 6.154 1.00 0.00 N ATOM 0 H LYS A 7 12.741 -12.252 2.586 1.00 0.00 H new ATOM 0 HA LYS A 7 10.689 -10.366 2.581 1.00 0.00 H new ATOM 0 HB2 LYS A 7 11.680 -12.541 4.236 1.00 0.00 H new ATOM 0 HB3 LYS A 7 11.143 -11.212 5.243 1.00 0.00 H new ATOM 0 HG2 LYS A 7 9.451 -12.441 3.043 1.00 0.00 H new ATOM 0 HG3 LYS A 7 9.395 -12.960 4.716 1.00 0.00 H new ATOM 0 HD2 LYS A 7 8.848 -10.096 3.828 1.00 0.00 H new ATOM 0 HD3 LYS A 7 7.592 -11.302 4.026 1.00 0.00 H new ATOM 0 HE2 LYS A 7 8.290 -11.588 6.420 1.00 0.00 H new ATOM 0 HE3 LYS A 7 9.470 -10.311 6.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 7.359 -9.559 7.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 7.737 -8.752 5.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 6.555 -9.970 5.746 1.00 0.00 H new ATOM 117 N ASN A 8 13.299 -9.629 4.413 1.00 0.00 N ATOM 118 CA ASN A 8 13.996 -8.559 5.109 1.00 0.00 C ATOM 119 C ASN A 8 14.260 -7.358 4.193 1.00 0.00 C ATOM 120 O ASN A 8 14.251 -6.213 4.645 1.00 0.00 O ATOM 121 CB ASN A 8 15.288 -9.048 5.764 1.00 0.00 C ATOM 122 CG ASN A 8 15.065 -10.099 6.844 1.00 0.00 C ATOM 123 OD1 ASN A 8 14.021 -10.126 7.516 1.00 0.00 O ATOM 124 ND2 ASN A 8 16.046 -10.943 7.051 1.00 0.00 N ATOM 0 H ASN A 8 13.823 -10.503 4.362 1.00 0.00 H new ATOM 0 HA ASN A 8 13.333 -8.224 5.907 1.00 0.00 H new ATOM 0 HB2 ASN A 8 15.941 -9.462 4.996 1.00 0.00 H new ATOM 0 HB3 ASN A 8 15.809 -8.196 6.200 1.00 0.00 H new ATOM 0 HD21 ASN A 8 15.965 -11.649 7.782 1.00 0.00 H new ATOM 0 HD22 ASN A 8 16.890 -10.893 6.481 1.00 0.00 H new ATOM 131 N LYS A 9 14.523 -7.617 2.911 1.00 0.00 N ATOM 132 CA LYS A 9 14.700 -6.538 1.935 1.00 0.00 C ATOM 133 C LYS A 9 13.390 -5.799 1.739 1.00 0.00 C ATOM 134 O LYS A 9 13.363 -4.563 1.669 1.00 0.00 O ATOM 135 CB LYS A 9 15.202 -7.059 0.587 1.00 0.00 C ATOM 136 CG LYS A 9 16.588 -7.666 0.633 1.00 0.00 C ATOM 137 CD LYS A 9 17.041 -8.151 -0.735 1.00 0.00 C ATOM 138 CE LYS A 9 18.471 -8.700 -0.695 1.00 0.00 C ATOM 139 NZ LYS A 9 19.461 -7.685 -0.234 1.00 0.00 N ATOM 0 H LYS A 9 14.618 -8.557 2.525 1.00 0.00 H new ATOM 0 HA LYS A 9 15.455 -5.859 2.331 1.00 0.00 H new ATOM 0 HB2 LYS A 9 14.502 -7.808 0.216 1.00 0.00 H new ATOM 0 HB3 LYS A 9 15.201 -6.238 -0.130 1.00 0.00 H new ATOM 0 HG2 LYS A 9 17.296 -6.927 1.009 1.00 0.00 H new ATOM 0 HG3 LYS A 9 16.596 -8.500 1.335 1.00 0.00 H new ATOM 0 HD2 LYS A 9 16.363 -8.927 -1.089 1.00 0.00 H new ATOM 0 HD3 LYS A 9 16.986 -7.329 -1.449 1.00 0.00 H new ATOM 0 HE2 LYS A 9 18.506 -9.564 -0.032 1.00 0.00 H new ATOM 0 HE3 LYS A 9 18.750 -9.049 -1.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 20.423 -8.017 -0.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 19.289 -6.785 -0.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 19.362 -7.544 0.792 1.00 0.00 H new ATOM 153 N ILE A 10 12.314 -6.567 1.663 1.00 0.00 N ATOM 154 CA ILE A 10 10.973 -6.035 1.553 1.00 0.00 C ATOM 155 C ILE A 10 10.658 -5.190 2.778 1.00 0.00 C ATOM 156 O ILE A 10 10.171 -4.073 2.642 1.00 0.00 O ATOM 157 CB ILE A 10 9.926 -7.179 1.382 1.00 0.00 C ATOM 158 CG1 ILE A 10 10.131 -7.872 0.026 1.00 0.00 C ATOM 159 CG2 ILE A 10 8.492 -6.672 1.537 1.00 0.00 C ATOM 160 CD1 ILE A 10 9.191 -9.025 -0.240 1.00 0.00 C ATOM 0 H ILE A 10 12.352 -7.586 1.676 1.00 0.00 H new ATOM 0 HA ILE A 10 10.917 -5.407 0.664 1.00 0.00 H new ATOM 0 HB ILE A 10 10.084 -7.907 2.178 1.00 0.00 H new ATOM 0 HG12 ILE A 10 10.012 -7.133 -0.766 1.00 0.00 H new ATOM 0 HG13 ILE A 10 11.157 -8.236 -0.030 1.00 0.00 H new ATOM 0 HG21 ILE A 10 7.797 -7.502 1.410 1.00 0.00 H new ATOM 0 HG22 ILE A 10 8.364 -6.240 2.530 1.00 0.00 H new ATOM 0 HG23 ILE A 10 8.291 -5.912 0.782 1.00 0.00 H new ATOM 0 HD11 ILE A 10 9.408 -9.453 -1.219 1.00 0.00 H new ATOM 0 HD12 ILE A 10 9.324 -9.788 0.527 1.00 0.00 H new ATOM 0 HD13 ILE A 10 8.162 -8.667 -0.221 1.00 0.00 H new ATOM 172 N GLU A 11 10.988 -5.719 3.960 1.00 0.00 N ATOM 173 CA GLU A 11 10.806 -5.007 5.222 1.00 0.00 C ATOM 174 C GLU A 11 11.512 -3.680 5.180 1.00 0.00 C ATOM 175 O GLU A 11 10.903 -2.648 5.414 1.00 0.00 O ATOM 176 CB GLU A 11 11.338 -5.820 6.407 1.00 0.00 C ATOM 177 CG GLU A 11 10.642 -7.141 6.617 1.00 0.00 C ATOM 178 CD GLU A 11 9.165 -6.980 6.784 1.00 0.00 C ATOM 179 OE1 GLU A 11 8.711 -6.645 7.894 1.00 0.00 O ATOM 180 OE2 GLU A 11 8.420 -7.181 5.817 1.00 0.00 O ATOM 0 H GLU A 11 11.388 -6.651 4.066 1.00 0.00 H new ATOM 0 HA GLU A 11 9.735 -4.853 5.357 1.00 0.00 H new ATOM 0 HB2 GLU A 11 12.402 -6.003 6.258 1.00 0.00 H new ATOM 0 HB3 GLU A 11 11.241 -5.224 7.314 1.00 0.00 H new ATOM 0 HG2 GLU A 11 10.841 -7.794 5.767 1.00 0.00 H new ATOM 0 HG3 GLU A 11 11.055 -7.631 7.499 1.00 0.00 H new ATOM 187 N ASN A 12 12.784 -3.718 4.828 1.00 0.00 N ATOM 188 CA ASN A 12 13.612 -2.523 4.727 1.00 0.00 C ATOM 189 C ASN A 12 13.004 -1.495 3.784 1.00 0.00 C ATOM 190 O ASN A 12 12.853 -0.336 4.141 1.00 0.00 O ATOM 191 CB ASN A 12 15.041 -2.881 4.271 1.00 0.00 C ATOM 192 CG ASN A 12 15.891 -1.652 3.963 1.00 0.00 C ATOM 193 OD1 ASN A 12 16.530 -1.082 4.845 1.00 0.00 O ATOM 194 ND2 ASN A 12 15.931 -1.259 2.707 1.00 0.00 N ATOM 0 H ASN A 12 13.277 -4.582 4.602 1.00 0.00 H new ATOM 0 HA ASN A 12 13.660 -2.080 5.722 1.00 0.00 H new ATOM 0 HB2 ASN A 12 15.529 -3.468 5.049 1.00 0.00 H new ATOM 0 HB3 ASN A 12 14.987 -3.511 3.383 1.00 0.00 H new ATOM 0 HD21 ASN A 12 16.505 -0.459 2.441 1.00 0.00 H new ATOM 0 HD22 ASN A 12 15.388 -1.755 2.000 1.00 0.00 H new ATOM 201 N LYS A 13 12.618 -1.939 2.601 1.00 0.00 N ATOM 202 CA LYS A 13 12.099 -1.038 1.581 1.00 0.00 C ATOM 203 C LYS A 13 10.748 -0.446 1.997 1.00 0.00 C ATOM 204 O LYS A 13 10.492 0.745 1.800 1.00 0.00 O ATOM 205 CB LYS A 13 11.979 -1.772 0.257 1.00 0.00 C ATOM 206 CG LYS A 13 11.833 -0.863 -0.952 1.00 0.00 C ATOM 207 CD LYS A 13 13.028 0.059 -1.107 1.00 0.00 C ATOM 208 CE LYS A 13 14.334 -0.698 -1.232 1.00 0.00 C ATOM 209 NZ LYS A 13 15.470 0.220 -1.363 1.00 0.00 N ATOM 0 H LYS A 13 12.653 -2.919 2.320 1.00 0.00 H new ATOM 0 HA LYS A 13 12.798 -0.210 1.465 1.00 0.00 H new ATOM 0 HB2 LYS A 13 12.861 -2.399 0.121 1.00 0.00 H new ATOM 0 HB3 LYS A 13 11.118 -2.439 0.302 1.00 0.00 H new ATOM 0 HG2 LYS A 13 11.721 -1.469 -1.851 1.00 0.00 H new ATOM 0 HG3 LYS A 13 10.925 -0.268 -0.853 1.00 0.00 H new ATOM 0 HD2 LYS A 13 12.888 0.684 -1.989 1.00 0.00 H new ATOM 0 HD3 LYS A 13 13.080 0.728 -0.248 1.00 0.00 H new ATOM 0 HE2 LYS A 13 14.475 -1.332 -0.357 1.00 0.00 H new ATOM 0 HE3 LYS A 13 14.294 -1.357 -2.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 16.299 -0.301 -1.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 15.229 0.978 -2.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 15.689 0.636 -0.435 1.00 0.00 H new ATOM 223 N LYS A 14 9.911 -1.295 2.557 1.00 0.00 N ATOM 224 CA LYS A 14 8.630 -0.940 3.114 1.00 0.00 C ATOM 225 C LYS A 14 8.832 0.147 4.154 1.00 0.00 C ATOM 226 O LYS A 14 8.191 1.183 4.105 1.00 0.00 O ATOM 227 CB LYS A 14 8.042 -2.201 3.767 1.00 0.00 C ATOM 228 CG LYS A 14 6.670 -2.067 4.402 1.00 0.00 C ATOM 229 CD LYS A 14 6.210 -3.399 5.002 1.00 0.00 C ATOM 230 CE LYS A 14 7.037 -3.803 6.209 1.00 0.00 C ATOM 231 NZ LYS A 14 6.703 -5.174 6.690 1.00 0.00 N ATOM 0 H LYS A 14 10.117 -2.291 2.638 1.00 0.00 H new ATOM 0 HA LYS A 14 7.952 -0.568 2.346 1.00 0.00 H new ATOM 0 HB2 LYS A 14 7.991 -2.983 3.010 1.00 0.00 H new ATOM 0 HB3 LYS A 14 8.738 -2.543 4.532 1.00 0.00 H new ATOM 0 HG2 LYS A 14 6.698 -1.304 5.180 1.00 0.00 H new ATOM 0 HG3 LYS A 14 5.950 -1.733 3.654 1.00 0.00 H new ATOM 0 HD2 LYS A 14 5.162 -3.322 5.292 1.00 0.00 H new ATOM 0 HD3 LYS A 14 6.274 -4.178 4.243 1.00 0.00 H new ATOM 0 HE2 LYS A 14 8.096 -3.758 5.953 1.00 0.00 H new ATOM 0 HE3 LYS A 14 6.873 -3.088 7.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 7.350 -5.439 7.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 5.723 -5.190 7.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 6.803 -5.851 5.907 1.00 0.00 H new ATOM 245 N LYS A 15 9.776 -0.088 5.056 1.00 0.00 N ATOM 246 CA LYS A 15 10.088 0.841 6.122 1.00 0.00 C ATOM 247 C LYS A 15 10.621 2.162 5.584 1.00 0.00 C ATOM 248 O LYS A 15 10.241 3.225 6.087 1.00 0.00 O ATOM 249 CB LYS A 15 11.043 0.215 7.140 1.00 0.00 C ATOM 250 CG LYS A 15 10.425 -0.972 7.868 1.00 0.00 C ATOM 251 CD LYS A 15 11.379 -1.626 8.857 1.00 0.00 C ATOM 252 CE LYS A 15 11.668 -0.726 10.068 1.00 0.00 C ATOM 253 NZ LYS A 15 10.433 -0.364 10.815 1.00 0.00 N ATOM 0 H LYS A 15 10.346 -0.934 5.064 1.00 0.00 H new ATOM 0 HA LYS A 15 9.157 1.066 6.642 1.00 0.00 H new ATOM 0 HB2 LYS A 15 11.951 -0.108 6.631 1.00 0.00 H new ATOM 0 HB3 LYS A 15 11.338 0.970 7.869 1.00 0.00 H new ATOM 0 HG2 LYS A 15 9.532 -0.641 8.398 1.00 0.00 H new ATOM 0 HG3 LYS A 15 10.105 -1.713 7.136 1.00 0.00 H new ATOM 0 HD2 LYS A 15 10.953 -2.569 9.201 1.00 0.00 H new ATOM 0 HD3 LYS A 15 12.315 -1.865 8.352 1.00 0.00 H new ATOM 0 HE2 LYS A 15 12.359 -1.236 10.739 1.00 0.00 H new ATOM 0 HE3 LYS A 15 12.165 0.184 9.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 10.690 0.004 11.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 9.910 0.365 10.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 9.835 -1.207 10.926 1.00 0.00 H new ATOM 267 N GLU A 16 11.478 2.095 4.545 1.00 0.00 N ATOM 268 CA GLU A 16 11.989 3.300 3.867 1.00 0.00 C ATOM 269 C GLU A 16 10.817 4.160 3.389 1.00 0.00 C ATOM 270 O GLU A 16 10.805 5.381 3.556 1.00 0.00 O ATOM 271 CB GLU A 16 12.880 2.956 2.641 1.00 0.00 C ATOM 272 CG GLU A 16 14.245 2.344 2.925 1.00 0.00 C ATOM 273 CD GLU A 16 15.073 2.201 1.645 1.00 0.00 C ATOM 274 OE1 GLU A 16 15.511 3.242 1.083 1.00 0.00 O ATOM 275 OE2 GLU A 16 15.275 1.080 1.152 1.00 0.00 O ATOM 0 H GLU A 16 11.830 1.219 4.159 1.00 0.00 H new ATOM 0 HA GLU A 16 12.599 3.839 4.592 1.00 0.00 H new ATOM 0 HB2 GLU A 16 12.326 2.267 2.003 1.00 0.00 H new ATOM 0 HB3 GLU A 16 13.032 3.870 2.066 1.00 0.00 H new ATOM 0 HG2 GLU A 16 14.783 2.967 3.640 1.00 0.00 H new ATOM 0 HG3 GLU A 16 14.117 1.366 3.388 1.00 0.00 H new ATOM 282 N LEU A 17 9.825 3.499 2.837 1.00 0.00 N ATOM 283 CA LEU A 17 8.644 4.145 2.325 1.00 0.00 C ATOM 284 C LEU A 17 7.771 4.689 3.441 1.00 0.00 C ATOM 285 O LEU A 17 7.250 5.804 3.331 1.00 0.00 O ATOM 286 CB LEU A 17 7.881 3.175 1.374 1.00 0.00 C ATOM 287 CG LEU A 17 6.430 3.504 0.969 1.00 0.00 C ATOM 288 CD1 LEU A 17 5.444 3.146 2.043 1.00 0.00 C ATOM 289 CD2 LEU A 17 6.270 4.935 0.472 1.00 0.00 C ATOM 0 H LEU A 17 9.818 2.485 2.731 1.00 0.00 H new ATOM 0 HA LEU A 17 8.943 5.014 1.739 1.00 0.00 H new ATOM 0 HB2 LEU A 17 8.465 3.087 0.458 1.00 0.00 H new ATOM 0 HB3 LEU A 17 7.875 2.192 1.844 1.00 0.00 H new ATOM 0 HG LEU A 17 6.196 2.866 0.117 1.00 0.00 H new ATOM 0 HD11 LEU A 17 4.437 3.397 1.710 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.503 2.077 2.249 1.00 0.00 H new ATOM 0 HD13 LEU A 17 5.676 3.704 2.950 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.229 5.112 0.201 1.00 0.00 H new ATOM 0 HD22 LEU A 17 6.562 5.629 1.260 1.00 0.00 H new ATOM 0 HD23 LEU A 17 6.904 5.090 -0.401 1.00 0.00 H new ATOM 301 N ILE A 18 7.594 3.913 4.494 1.00 0.00 N ATOM 302 CA ILE A 18 6.757 4.334 5.604 1.00 0.00 C ATOM 303 C ILE A 18 7.300 5.642 6.182 1.00 0.00 C ATOM 304 O ILE A 18 6.549 6.567 6.464 1.00 0.00 O ATOM 305 CB ILE A 18 6.686 3.269 6.729 1.00 0.00 C ATOM 306 CG1 ILE A 18 6.145 1.953 6.178 1.00 0.00 C ATOM 307 CG2 ILE A 18 5.779 3.769 7.855 1.00 0.00 C ATOM 308 CD1 ILE A 18 6.320 0.776 7.109 1.00 0.00 C ATOM 0 H ILE A 18 8.016 2.991 4.605 1.00 0.00 H new ATOM 0 HA ILE A 18 5.747 4.473 5.217 1.00 0.00 H new ATOM 0 HB ILE A 18 7.690 3.101 7.119 1.00 0.00 H new ATOM 0 HG12 ILE A 18 5.084 2.073 5.957 1.00 0.00 H new ATOM 0 HG13 ILE A 18 6.645 1.734 5.235 1.00 0.00 H new ATOM 0 HG21 ILE A 18 5.731 3.018 8.644 1.00 0.00 H new ATOM 0 HG22 ILE A 18 6.181 4.697 8.261 1.00 0.00 H new ATOM 0 HG23 ILE A 18 4.778 3.948 7.463 1.00 0.00 H new ATOM 0 HD11 ILE A 18 5.910 -0.120 6.644 1.00 0.00 H new ATOM 0 HD12 ILE A 18 7.381 0.627 7.311 1.00 0.00 H new ATOM 0 HD13 ILE A 18 5.796 0.971 8.045 1.00 0.00 H new ATOM 320 N GLN A 19 8.618 5.716 6.286 1.00 0.00 N ATOM 321 CA GLN A 19 9.307 6.903 6.768 1.00 0.00 C ATOM 322 C GLN A 19 9.040 8.099 5.832 1.00 0.00 C ATOM 323 O GLN A 19 8.938 9.245 6.281 1.00 0.00 O ATOM 324 CB GLN A 19 10.810 6.618 6.908 1.00 0.00 C ATOM 325 CG GLN A 19 11.125 5.553 7.962 1.00 0.00 C ATOM 326 CD GLN A 19 12.584 5.103 7.981 1.00 0.00 C ATOM 327 OE1 GLN A 19 12.887 3.953 8.322 1.00 0.00 O ATOM 328 NE2 GLN A 19 13.494 5.980 7.647 1.00 0.00 N ATOM 0 H GLN A 19 9.243 4.950 6.037 1.00 0.00 H new ATOM 0 HA GLN A 19 8.921 7.166 7.753 1.00 0.00 H new ATOM 0 HB2 GLN A 19 11.203 6.294 5.944 1.00 0.00 H new ATOM 0 HB3 GLN A 19 11.326 7.542 7.169 1.00 0.00 H new ATOM 0 HG2 GLN A 19 10.864 5.943 8.946 1.00 0.00 H new ATOM 0 HG3 GLN A 19 10.491 4.684 7.785 1.00 0.00 H new ATOM 0 HE21 GLN A 19 13.217 6.922 7.370 1.00 0.00 H new ATOM 0 HE22 GLN A 19 14.481 5.723 7.664 1.00 0.00 H new ATOM 337 N LEU A 20 8.894 7.816 4.545 1.00 0.00 N ATOM 338 CA LEU A 20 8.594 8.838 3.556 1.00 0.00 C ATOM 339 C LEU A 20 7.167 9.371 3.721 1.00 0.00 C ATOM 340 O LEU A 20 6.970 10.589 3.801 1.00 0.00 O ATOM 341 CB LEU A 20 8.830 8.336 2.128 1.00 0.00 C ATOM 342 CG LEU A 20 10.273 7.968 1.769 1.00 0.00 C ATOM 343 CD1 LEU A 20 10.342 7.439 0.357 1.00 0.00 C ATOM 344 CD2 LEU A 20 11.193 9.167 1.917 1.00 0.00 C ATOM 0 H LEU A 20 8.980 6.875 4.160 1.00 0.00 H new ATOM 0 HA LEU A 20 9.284 9.664 3.730 1.00 0.00 H new ATOM 0 HB2 LEU A 20 8.203 7.460 1.965 1.00 0.00 H new ATOM 0 HB3 LEU A 20 8.490 9.105 1.434 1.00 0.00 H new ATOM 0 HG LEU A 20 10.605 7.192 2.459 1.00 0.00 H new ATOM 0 HD11 LEU A 20 11.373 7.181 0.115 1.00 0.00 H new ATOM 0 HD12 LEU A 20 9.716 6.551 0.270 1.00 0.00 H new ATOM 0 HD13 LEU A 20 9.987 8.202 -0.335 1.00 0.00 H new ATOM 0 HD21 LEU A 20 12.211 8.879 1.656 1.00 0.00 H new ATOM 0 HD22 LEU A 20 10.860 9.965 1.253 1.00 0.00 H new ATOM 0 HD23 LEU A 20 11.169 9.519 2.948 1.00 0.00 H new ATOM 356 N VAL A 21 6.157 8.481 3.764 1.00 0.00 N ATOM 357 CA VAL A 21 4.799 8.942 4.013 1.00 0.00 C ATOM 358 C VAL A 21 4.669 9.611 5.406 1.00 0.00 C ATOM 359 O VAL A 21 3.831 10.490 5.618 1.00 0.00 O ATOM 360 CB VAL A 21 3.742 7.836 3.838 1.00 0.00 C ATOM 361 CG1 VAL A 21 3.936 7.055 2.581 1.00 0.00 C ATOM 362 CG2 VAL A 21 3.576 6.949 5.034 1.00 0.00 C ATOM 0 H VAL A 21 6.259 7.475 3.633 1.00 0.00 H new ATOM 0 HA VAL A 21 4.597 9.693 3.249 1.00 0.00 H new ATOM 0 HB VAL A 21 2.796 8.369 3.744 1.00 0.00 H new ATOM 0 HG11 VAL A 21 3.165 6.288 2.506 1.00 0.00 H new ATOM 0 HG12 VAL A 21 3.867 7.724 1.723 1.00 0.00 H new ATOM 0 HG13 VAL A 21 4.918 6.582 2.595 1.00 0.00 H new ATOM 0 HG21 VAL A 21 2.813 6.198 4.827 1.00 0.00 H new ATOM 0 HG22 VAL A 21 4.522 6.454 5.254 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.272 7.548 5.892 1.00 0.00 H new ATOM 372 N ALA A 22 5.474 9.159 6.348 1.00 0.00 N ATOM 373 CA ALA A 22 5.489 9.703 7.686 1.00 0.00 C ATOM 374 C ALA A 22 5.966 11.157 7.691 1.00 0.00 C ATOM 375 O ALA A 22 5.281 12.038 8.242 1.00 0.00 O ATOM 376 CB ALA A 22 6.351 8.843 8.574 1.00 0.00 C ATOM 0 H ALA A 22 6.139 8.399 6.202 1.00 0.00 H new ATOM 0 HA ALA A 22 4.471 9.700 8.075 1.00 0.00 H new ATOM 0 HB1 ALA A 22 6.360 9.256 9.583 1.00 0.00 H new ATOM 0 HB2 ALA A 22 5.949 7.830 8.600 1.00 0.00 H new ATOM 0 HB3 ALA A 22 7.368 8.820 8.182 1.00 0.00 H new ATOM 382 N ARG A 23 7.107 11.420 7.032 1.00 0.00 N ATOM 383 CA ARG A 23 7.680 12.780 6.937 1.00 0.00 C ATOM 384 C ARG A 23 6.790 13.718 6.129 1.00 0.00 C ATOM 385 O ARG A 23 6.969 14.936 6.147 1.00 0.00 O ATOM 386 CB ARG A 23 9.111 12.783 6.399 1.00 0.00 C ATOM 387 CG ARG A 23 9.274 12.209 5.012 1.00 0.00 C ATOM 388 CD ARG A 23 10.711 12.313 4.532 1.00 0.00 C ATOM 389 NE ARG A 23 11.653 11.730 5.490 1.00 0.00 N ATOM 390 CZ ARG A 23 12.805 11.134 5.187 1.00 0.00 C ATOM 391 NH1 ARG A 23 13.171 10.969 3.917 1.00 0.00 N ATOM 392 NH2 ARG A 23 13.591 10.716 6.161 1.00 0.00 N ATOM 0 H ARG A 23 7.656 10.706 6.553 1.00 0.00 H new ATOM 0 HA ARG A 23 7.724 13.158 7.958 1.00 0.00 H new ATOM 0 HB2 ARG A 23 9.480 13.809 6.397 1.00 0.00 H new ATOM 0 HB3 ARG A 23 9.742 12.219 7.086 1.00 0.00 H new ATOM 0 HG2 ARG A 23 8.964 11.164 5.011 1.00 0.00 H new ATOM 0 HG3 ARG A 23 8.619 12.737 4.319 1.00 0.00 H new ATOM 0 HD2 ARG A 23 10.810 11.806 3.572 1.00 0.00 H new ATOM 0 HD3 ARG A 23 10.963 13.361 4.367 1.00 0.00 H new ATOM 0 HE ARG A 23 11.405 11.785 6.478 1.00 0.00 H new ATOM 0 HH11 ARG A 23 12.567 11.300 3.165 1.00 0.00 H new ATOM 0 HH12 ARG A 23 14.055 10.511 3.696 1.00 0.00 H new ATOM 0 HH21 ARG A 23 13.314 10.851 7.133 1.00 0.00 H new ATOM 0 HH22 ARG A 23 14.476 10.258 5.942 1.00 0.00 H new ATOM 406 N HIS A 24 5.898 13.134 5.349 1.00 0.00 N ATOM 407 CA HIS A 24 4.862 13.878 4.654 1.00 0.00 C ATOM 408 C HIS A 24 4.033 14.703 5.662 1.00 0.00 C ATOM 409 O HIS A 24 3.667 15.846 5.388 1.00 0.00 O ATOM 410 CB HIS A 24 3.967 12.898 3.860 1.00 0.00 C ATOM 411 CG HIS A 24 2.620 13.426 3.464 1.00 0.00 C ATOM 412 ND1 HIS A 24 1.450 12.996 4.038 1.00 0.00 N ATOM 413 CD2 HIS A 24 2.269 14.358 2.554 1.00 0.00 C ATOM 414 CE1 HIS A 24 0.451 13.666 3.482 1.00 0.00 C ATOM 415 NE2 HIS A 24 0.895 14.510 2.571 1.00 0.00 N ATOM 0 H HIS A 24 5.871 12.129 5.179 1.00 0.00 H new ATOM 0 HA HIS A 24 5.320 14.574 3.951 1.00 0.00 H new ATOM 0 HB2 HIS A 24 4.499 12.598 2.957 1.00 0.00 H new ATOM 0 HB3 HIS A 24 3.823 11.999 4.459 1.00 0.00 H new ATOM 0 HD2 HIS A 24 2.952 14.898 1.915 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -0.590 13.538 3.741 1.00 0.00 H new ATOM 0 HE2 HIS A 24 0.339 15.144 1.997 1.00 0.00 H new ATOM 423 N GLY A 25 3.769 14.125 6.812 1.00 0.00 N ATOM 424 CA GLY A 25 3.014 14.826 7.818 1.00 0.00 C ATOM 425 C GLY A 25 1.996 13.956 8.498 1.00 0.00 C ATOM 426 O GLY A 25 0.905 14.418 8.839 1.00 0.00 O ATOM 0 H GLY A 25 4.063 13.183 7.069 1.00 0.00 H new ATOM 0 HA2 GLY A 25 3.699 15.227 8.565 1.00 0.00 H new ATOM 0 HA3 GLY A 25 2.509 15.676 7.359 1.00 0.00 H new ATOM 430 N LEU A 26 2.322 12.699 8.700 1.00 0.00 N ATOM 431 CA LEU A 26 1.401 11.814 9.374 1.00 0.00 C ATOM 432 C LEU A 26 1.621 11.828 10.842 1.00 0.00 C ATOM 433 O LEU A 26 2.724 12.105 11.317 1.00 0.00 O ATOM 434 CB LEU A 26 1.477 10.366 8.877 1.00 0.00 C ATOM 435 CG LEU A 26 0.937 10.088 7.501 1.00 0.00 C ATOM 436 CD1 LEU A 26 0.971 8.603 7.172 1.00 0.00 C ATOM 437 CD2 LEU A 26 -0.445 10.688 7.292 1.00 0.00 C ATOM 0 H LEU A 26 3.203 12.272 8.413 1.00 0.00 H new ATOM 0 HA LEU A 26 0.408 12.197 9.139 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.521 10.054 8.901 1.00 0.00 H new ATOM 0 HB3 LEU A 26 0.940 9.736 9.586 1.00 0.00 H new ATOM 0 HG LEU A 26 1.600 10.587 6.795 1.00 0.00 H new ATOM 0 HD11 LEU A 26 0.573 8.443 6.170 1.00 0.00 H new ATOM 0 HD12 LEU A 26 1.999 8.244 7.215 1.00 0.00 H new ATOM 0 HD13 LEU A 26 0.365 8.056 7.895 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -0.792 10.460 6.284 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.139 10.265 8.019 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.396 11.769 7.423 1.00 0.00 H new ATOM 449 N ASP A 27 0.568 11.567 11.546 1.00 0.00 N ATOM 450 CA ASP A 27 0.609 11.390 12.978 1.00 0.00 C ATOM 451 C ASP A 27 1.169 10.019 13.228 1.00 0.00 C ATOM 452 O ASP A 27 1.221 9.208 12.293 1.00 0.00 O ATOM 453 CB ASP A 27 -0.807 11.453 13.564 1.00 0.00 C ATOM 454 CG ASP A 27 -1.475 12.786 13.395 1.00 0.00 C ATOM 455 OD1 ASP A 27 -2.071 13.027 12.324 1.00 0.00 O ATOM 456 OD2 ASP A 27 -1.411 13.610 14.328 1.00 0.00 O ATOM 0 H ASP A 27 -0.364 11.467 11.145 1.00 0.00 H new ATOM 0 HA ASP A 27 1.212 12.171 13.440 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -1.421 10.687 13.090 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -0.761 11.212 14.626 1.00 0.00 H new ATOM 461 N HIS A 28 1.543 9.718 14.449 1.00 0.00 N ATOM 462 CA HIS A 28 2.094 8.403 14.749 1.00 0.00 C ATOM 463 C HIS A 28 1.081 7.334 14.474 1.00 0.00 C ATOM 464 O HIS A 28 1.396 6.331 13.868 1.00 0.00 O ATOM 465 CB HIS A 28 2.620 8.294 16.177 1.00 0.00 C ATOM 466 CG HIS A 28 3.853 9.091 16.414 1.00 0.00 C ATOM 467 ND1 HIS A 28 5.123 8.607 16.220 1.00 0.00 N ATOM 468 CD2 HIS A 28 4.000 10.365 16.831 1.00 0.00 C ATOM 469 CE1 HIS A 28 5.984 9.567 16.515 1.00 0.00 C ATOM 470 NE2 HIS A 28 5.353 10.666 16.893 1.00 0.00 N ATOM 0 H HIS A 28 1.480 10.351 15.246 1.00 0.00 H new ATOM 0 HA HIS A 28 2.950 8.261 14.090 1.00 0.00 H new ATOM 0 HB2 HIS A 28 1.844 8.624 16.868 1.00 0.00 H new ATOM 0 HB3 HIS A 28 2.824 7.247 16.402 1.00 0.00 H new ATOM 0 HD2 HIS A 28 3.195 11.042 17.077 1.00 0.00 H new ATOM 0 HE1 HIS A 28 7.058 9.467 16.455 1.00 0.00 H new ATOM 0 HE2 HIS A 28 5.774 11.552 17.172 1.00 0.00 H new ATOM 478 N ASP A 29 -0.163 7.605 14.847 1.00 0.00 N ATOM 479 CA ASP A 29 -1.264 6.680 14.618 1.00 0.00 C ATOM 480 C ASP A 29 -1.413 6.412 13.141 1.00 0.00 C ATOM 481 O ASP A 29 -1.602 5.287 12.735 1.00 0.00 O ATOM 482 CB ASP A 29 -2.600 7.206 15.176 1.00 0.00 C ATOM 483 CG ASP A 29 -2.629 7.370 16.679 1.00 0.00 C ATOM 484 OD1 ASP A 29 -2.595 6.359 17.406 1.00 0.00 O ATOM 485 OD2 ASP A 29 -2.730 8.535 17.174 1.00 0.00 O ATOM 0 H ASP A 29 -0.436 8.469 15.315 1.00 0.00 H new ATOM 0 HA ASP A 29 -1.022 5.759 15.148 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -2.819 8.168 14.714 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -3.397 6.523 14.882 1.00 0.00 H new ATOM 490 N LYS A 30 -1.265 7.460 12.340 1.00 0.00 N ATOM 491 CA LYS A 30 -1.343 7.341 10.889 1.00 0.00 C ATOM 492 C LYS A 30 -0.237 6.440 10.364 1.00 0.00 C ATOM 493 O LYS A 30 -0.503 5.505 9.619 1.00 0.00 O ATOM 494 CB LYS A 30 -1.276 8.719 10.219 1.00 0.00 C ATOM 495 CG LYS A 30 -2.523 9.563 10.384 1.00 0.00 C ATOM 496 CD LYS A 30 -3.692 8.973 9.615 1.00 0.00 C ATOM 497 CE LYS A 30 -4.904 9.878 9.678 1.00 0.00 C ATOM 498 NZ LYS A 30 -6.034 9.329 8.914 1.00 0.00 N ATOM 0 H LYS A 30 -1.089 8.408 12.673 1.00 0.00 H new ATOM 0 HA LYS A 30 -2.304 6.890 10.641 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -0.426 9.266 10.628 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -1.084 8.582 9.155 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -2.779 9.635 11.441 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -2.328 10.577 10.033 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -3.405 8.818 8.575 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -3.944 7.995 10.025 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -5.201 10.017 10.718 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -4.644 10.862 9.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -6.845 9.976 8.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -5.759 9.220 7.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -6.298 8.402 9.303 1.00 0.00 H new ATOM 512 N VAL A 31 0.986 6.708 10.799 1.00 0.00 N ATOM 513 CA VAL A 31 2.156 5.928 10.408 1.00 0.00 C ATOM 514 C VAL A 31 1.967 4.462 10.806 1.00 0.00 C ATOM 515 O VAL A 31 2.211 3.545 10.008 1.00 0.00 O ATOM 516 CB VAL A 31 3.450 6.487 11.079 1.00 0.00 C ATOM 517 CG1 VAL A 31 4.680 5.681 10.697 1.00 0.00 C ATOM 518 CG2 VAL A 31 3.651 7.948 10.725 1.00 0.00 C ATOM 0 H VAL A 31 1.198 7.476 11.436 1.00 0.00 H new ATOM 0 HA VAL A 31 2.265 6.002 9.326 1.00 0.00 H new ATOM 0 HB VAL A 31 3.317 6.399 12.157 1.00 0.00 H new ATOM 0 HG11 VAL A 31 5.558 6.104 11.185 1.00 0.00 H new ATOM 0 HG12 VAL A 31 4.550 4.647 11.015 1.00 0.00 H new ATOM 0 HG13 VAL A 31 4.815 5.714 9.616 1.00 0.00 H new ATOM 0 HG21 VAL A 31 4.558 8.317 11.203 1.00 0.00 H new ATOM 0 HG22 VAL A 31 3.743 8.051 9.644 1.00 0.00 H new ATOM 0 HG23 VAL A 31 2.796 8.528 11.073 1.00 0.00 H new ATOM 528 N LEU A 32 1.497 4.255 12.016 1.00 0.00 N ATOM 529 CA LEU A 32 1.275 2.931 12.556 1.00 0.00 C ATOM 530 C LEU A 32 0.176 2.194 11.803 1.00 0.00 C ATOM 531 O LEU A 32 0.400 1.098 11.311 1.00 0.00 O ATOM 532 CB LEU A 32 0.956 3.004 14.046 1.00 0.00 C ATOM 533 CG LEU A 32 2.023 3.673 14.915 1.00 0.00 C ATOM 534 CD1 LEU A 32 1.625 3.668 16.367 1.00 0.00 C ATOM 535 CD2 LEU A 32 3.383 3.033 14.718 1.00 0.00 C ATOM 0 H LEU A 32 1.256 5.008 12.660 1.00 0.00 H new ATOM 0 HA LEU A 32 2.197 2.364 12.427 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.018 3.544 14.173 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.794 1.991 14.415 1.00 0.00 H new ATOM 0 HG LEU A 32 2.101 4.712 14.594 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.403 4.150 16.959 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.687 4.210 16.489 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.496 2.640 16.705 1.00 0.00 H new ATOM 0 HD21 LEU A 32 4.116 3.534 15.351 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.331 1.978 14.988 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.681 3.126 13.674 1.00 0.00 H new ATOM 547 N LEU A 33 -0.985 2.809 11.669 1.00 0.00 N ATOM 548 CA LEU A 33 -2.109 2.176 10.975 1.00 0.00 C ATOM 549 C LEU A 33 -1.750 1.858 9.527 1.00 0.00 C ATOM 550 O LEU A 33 -2.077 0.774 9.027 1.00 0.00 O ATOM 551 CB LEU A 33 -3.365 3.050 11.039 1.00 0.00 C ATOM 552 CG LEU A 33 -3.936 3.331 12.439 1.00 0.00 C ATOM 553 CD1 LEU A 33 -5.108 4.298 12.355 1.00 0.00 C ATOM 554 CD2 LEU A 33 -4.360 2.038 13.127 1.00 0.00 C ATOM 0 H LEU A 33 -1.181 3.743 12.028 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.325 1.238 11.487 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.140 4.005 10.564 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.143 2.573 10.443 1.00 0.00 H new ATOM 0 HG LEU A 33 -3.149 3.791 13.037 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.498 4.484 13.355 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.774 5.238 11.915 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -5.893 3.866 11.734 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.760 2.266 14.115 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -5.126 1.543 12.531 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -3.497 1.380 13.228 1.00 0.00 H new ATOM 566 N PHE A 34 -1.047 2.783 8.882 1.00 0.00 N ATOM 567 CA PHE A 34 -0.597 2.600 7.516 1.00 0.00 C ATOM 568 C PHE A 34 0.343 1.418 7.408 1.00 0.00 C ATOM 569 O PHE A 34 0.110 0.518 6.621 1.00 0.00 O ATOM 570 CB PHE A 34 0.084 3.875 6.990 1.00 0.00 C ATOM 571 CG PHE A 34 0.758 3.718 5.652 1.00 0.00 C ATOM 572 CD1 PHE A 34 0.019 3.643 4.487 1.00 0.00 C ATOM 573 CD2 PHE A 34 2.141 3.624 5.569 1.00 0.00 C ATOM 574 CE1 PHE A 34 0.644 3.486 3.269 1.00 0.00 C ATOM 575 CE2 PHE A 34 2.764 3.465 4.353 1.00 0.00 C ATOM 576 CZ PHE A 34 2.018 3.394 3.208 1.00 0.00 C ATOM 0 H PHE A 34 -0.776 3.676 9.294 1.00 0.00 H new ATOM 0 HA PHE A 34 -1.473 2.397 6.901 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -0.662 4.666 6.916 1.00 0.00 H new ATOM 0 HB3 PHE A 34 0.825 4.203 7.719 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -1.058 3.708 4.531 1.00 0.00 H new ATOM 0 HD2 PHE A 34 2.734 3.676 6.470 1.00 0.00 H new ATOM 0 HE1 PHE A 34 0.058 3.435 2.363 1.00 0.00 H new ATOM 0 HE2 PHE A 34 3.841 3.396 4.302 1.00 0.00 H new ATOM 0 HZ PHE A 34 2.507 3.266 2.254 1.00 0.00 H new ATOM 586 N SER A 35 1.373 1.411 8.235 1.00 0.00 N ATOM 587 CA SER A 35 2.387 0.382 8.181 1.00 0.00 C ATOM 588 C SER A 35 1.824 -1.009 8.456 1.00 0.00 C ATOM 589 O SER A 35 2.249 -1.977 7.840 1.00 0.00 O ATOM 590 CB SER A 35 3.544 0.727 9.112 1.00 0.00 C ATOM 591 OG SER A 35 3.091 1.030 10.416 1.00 0.00 O ATOM 0 H SER A 35 1.527 2.115 8.957 1.00 0.00 H new ATOM 0 HA SER A 35 2.771 0.350 7.161 1.00 0.00 H new ATOM 0 HB2 SER A 35 4.240 -0.111 9.154 1.00 0.00 H new ATOM 0 HB3 SER A 35 4.093 1.578 8.710 1.00 0.00 H new ATOM 0 HG SER A 35 2.790 1.962 10.449 1.00 0.00 H new ATOM 597 N ARG A 36 0.840 -1.084 9.342 1.00 0.00 N ATOM 598 CA ARG A 36 0.199 -2.350 9.681 1.00 0.00 C ATOM 599 C ARG A 36 -0.569 -2.888 8.500 1.00 0.00 C ATOM 600 O ARG A 36 -0.428 -4.051 8.137 1.00 0.00 O ATOM 601 CB ARG A 36 -0.733 -2.179 10.882 1.00 0.00 C ATOM 602 CG ARG A 36 0.003 -1.759 12.122 1.00 0.00 C ATOM 603 CD ARG A 36 -0.922 -1.408 13.269 1.00 0.00 C ATOM 604 NE ARG A 36 -1.737 -2.530 13.754 1.00 0.00 N ATOM 605 CZ ARG A 36 -2.736 -2.383 14.645 1.00 0.00 C ATOM 606 NH1 ARG A 36 -3.000 -1.182 15.145 1.00 0.00 N ATOM 607 NH2 ARG A 36 -3.430 -3.433 15.064 1.00 0.00 N ATOM 0 H ARG A 36 0.465 -0.278 9.843 1.00 0.00 H new ATOM 0 HA ARG A 36 0.978 -3.065 9.945 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -1.494 -1.436 10.645 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -1.253 -3.118 11.072 1.00 0.00 H new ATOM 0 HG2 ARG A 36 0.669 -2.564 12.433 1.00 0.00 H new ATOM 0 HG3 ARG A 36 0.630 -0.898 11.892 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -0.326 -1.023 14.096 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -1.585 -0.603 12.952 1.00 0.00 H new ATOM 0 HE ARG A 36 -1.537 -3.465 13.399 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -2.447 -0.376 14.854 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -3.756 -1.065 15.820 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -3.209 -4.364 14.711 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -4.184 -3.309 15.739 1.00 0.00 H new ATOM 621 N ASP A 37 -1.341 -2.029 7.867 1.00 0.00 N ATOM 622 CA ASP A 37 -2.178 -2.452 6.753 1.00 0.00 C ATOM 623 C ASP A 37 -1.324 -2.695 5.521 1.00 0.00 C ATOM 624 O ASP A 37 -1.617 -3.564 4.716 1.00 0.00 O ATOM 625 CB ASP A 37 -3.261 -1.426 6.481 1.00 0.00 C ATOM 626 CG ASP A 37 -4.428 -2.004 5.676 1.00 0.00 C ATOM 627 OD1 ASP A 37 -4.977 -3.070 6.083 1.00 0.00 O ATOM 628 OD2 ASP A 37 -4.878 -1.370 4.696 1.00 0.00 O ATOM 0 H ASP A 37 -1.409 -1.038 8.100 1.00 0.00 H new ATOM 0 HA ASP A 37 -2.669 -3.389 7.015 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -3.635 -1.037 7.428 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -2.831 -0.584 5.938 1.00 0.00 H new ATOM 633 N LEU A 38 -0.243 -1.933 5.412 1.00 0.00 N ATOM 634 CA LEU A 38 0.760 -2.098 4.362 1.00 0.00 C ATOM 635 C LEU A 38 1.434 -3.451 4.492 1.00 0.00 C ATOM 636 O LEU A 38 1.570 -4.182 3.516 1.00 0.00 O ATOM 637 CB LEU A 38 1.794 -0.959 4.455 1.00 0.00 C ATOM 638 CG LEU A 38 3.093 -1.095 3.652 1.00 0.00 C ATOM 639 CD1 LEU A 38 2.831 -1.279 2.179 1.00 0.00 C ATOM 640 CD2 LEU A 38 3.965 0.117 3.877 1.00 0.00 C ATOM 0 H LEU A 38 -0.033 -1.172 6.058 1.00 0.00 H new ATOM 0 HA LEU A 38 0.276 -2.053 3.386 1.00 0.00 H new ATOM 0 HB2 LEU A 38 1.304 -0.037 4.142 1.00 0.00 H new ATOM 0 HB3 LEU A 38 2.062 -0.837 5.504 1.00 0.00 H new ATOM 0 HG LEU A 38 3.608 -1.988 4.005 1.00 0.00 H new ATOM 0 HD11 LEU A 38 3.779 -1.371 1.649 1.00 0.00 H new ATOM 0 HD12 LEU A 38 2.240 -2.182 2.025 1.00 0.00 H new ATOM 0 HD13 LEU A 38 2.284 -0.417 1.796 1.00 0.00 H new ATOM 0 HD21 LEU A 38 4.886 0.014 3.304 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.434 1.012 3.553 1.00 0.00 H new ATOM 0 HD23 LEU A 38 4.205 0.201 4.937 1.00 0.00 H new ATOM 652 N ASP A 39 1.828 -3.770 5.712 1.00 0.00 N ATOM 653 CA ASP A 39 2.455 -5.043 6.052 1.00 0.00 C ATOM 654 C ASP A 39 1.542 -6.176 5.610 1.00 0.00 C ATOM 655 O ASP A 39 1.942 -7.070 4.863 1.00 0.00 O ATOM 656 CB ASP A 39 2.649 -5.093 7.571 1.00 0.00 C ATOM 657 CG ASP A 39 3.428 -6.272 8.060 1.00 0.00 C ATOM 658 OD1 ASP A 39 4.670 -6.200 8.068 1.00 0.00 O ATOM 659 OD2 ASP A 39 2.831 -7.268 8.505 1.00 0.00 O ATOM 0 H ASP A 39 1.721 -3.144 6.510 1.00 0.00 H new ATOM 0 HA ASP A 39 3.419 -5.144 5.553 1.00 0.00 H new ATOM 0 HB2 ASP A 39 3.155 -4.182 7.890 1.00 0.00 H new ATOM 0 HB3 ASP A 39 1.670 -5.097 8.049 1.00 0.00 H new ATOM 664 N LYS A 40 0.292 -6.056 6.015 1.00 0.00 N ATOM 665 CA LYS A 40 -0.766 -7.002 5.694 1.00 0.00 C ATOM 666 C LYS A 40 -1.031 -7.086 4.184 1.00 0.00 C ATOM 667 O LYS A 40 -1.285 -8.168 3.655 1.00 0.00 O ATOM 668 CB LYS A 40 -2.037 -6.597 6.428 1.00 0.00 C ATOM 669 CG LYS A 40 -1.961 -6.781 7.943 1.00 0.00 C ATOM 670 CD LYS A 40 -3.104 -6.071 8.677 1.00 0.00 C ATOM 671 CE LYS A 40 -4.479 -6.458 8.154 1.00 0.00 C ATOM 672 NZ LYS A 40 -4.737 -7.912 8.242 1.00 0.00 N ATOM 0 H LYS A 40 -0.027 -5.278 6.592 1.00 0.00 H new ATOM 0 HA LYS A 40 -0.444 -7.992 6.017 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -2.254 -5.552 6.209 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -2.871 -7.183 6.042 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -1.987 -7.845 8.179 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -1.007 -6.398 8.305 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -3.047 -6.306 9.740 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -2.975 -4.993 8.581 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -5.242 -5.923 8.720 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -4.571 -6.139 7.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -5.705 -8.113 7.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -4.059 -8.422 7.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -4.628 -8.225 9.228 1.00 0.00 H new ATOM 686 N LEU A 41 -0.986 -5.947 3.510 1.00 0.00 N ATOM 687 CA LEU A 41 -1.196 -5.867 2.069 1.00 0.00 C ATOM 688 C LEU A 41 -0.109 -6.602 1.306 1.00 0.00 C ATOM 689 O LEU A 41 -0.385 -7.279 0.320 1.00 0.00 O ATOM 690 CB LEU A 41 -1.286 -4.401 1.600 1.00 0.00 C ATOM 691 CG LEU A 41 -1.344 -4.165 0.078 1.00 0.00 C ATOM 692 CD1 LEU A 41 -2.506 -4.903 -0.563 1.00 0.00 C ATOM 693 CD2 LEU A 41 -1.422 -2.683 -0.227 1.00 0.00 C ATOM 0 H LEU A 41 -0.802 -5.045 3.949 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.147 -6.355 1.854 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -2.173 -3.954 2.048 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -0.424 -3.863 1.995 1.00 0.00 H new ATOM 0 HG LEU A 41 -0.425 -4.565 -0.351 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -2.512 -4.711 -1.636 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.399 -5.973 -0.387 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -3.443 -4.555 -0.127 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.462 -2.535 -1.306 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.318 -2.264 0.230 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -0.542 -2.182 0.175 1.00 0.00 H new ATOM 705 N ILE A 42 1.101 -6.483 1.764 1.00 0.00 N ATOM 706 CA ILE A 42 2.203 -7.162 1.123 1.00 0.00 C ATOM 707 C ILE A 42 2.052 -8.657 1.333 1.00 0.00 C ATOM 708 O ILE A 42 2.015 -9.416 0.369 1.00 0.00 O ATOM 709 CB ILE A 42 3.570 -6.648 1.639 1.00 0.00 C ATOM 710 CG1 ILE A 42 3.686 -5.149 1.369 1.00 0.00 C ATOM 711 CG2 ILE A 42 4.711 -7.386 0.960 1.00 0.00 C ATOM 712 CD1 ILE A 42 4.957 -4.524 1.873 1.00 0.00 C ATOM 0 H ILE A 42 1.357 -5.924 2.578 1.00 0.00 H new ATOM 0 HA ILE A 42 2.180 -6.948 0.054 1.00 0.00 H new ATOM 0 HB ILE A 42 3.632 -6.831 2.712 1.00 0.00 H new ATOM 0 HG12 ILE A 42 3.613 -4.979 0.295 1.00 0.00 H new ATOM 0 HG13 ILE A 42 2.838 -4.642 1.830 1.00 0.00 H new ATOM 0 HG21 ILE A 42 5.662 -7.010 1.336 1.00 0.00 H new ATOM 0 HG22 ILE A 42 4.632 -8.452 1.173 1.00 0.00 H new ATOM 0 HG23 ILE A 42 4.658 -7.226 -0.117 1.00 0.00 H new ATOM 0 HD11 ILE A 42 4.956 -3.459 1.639 1.00 0.00 H new ATOM 0 HD12 ILE A 42 5.025 -4.659 2.952 1.00 0.00 H new ATOM 0 HD13 ILE A 42 5.812 -5.000 1.393 1.00 0.00 H new ATOM 724 N ASN A 43 1.869 -9.051 2.587 1.00 0.00 N ATOM 725 CA ASN A 43 1.657 -10.463 2.990 1.00 0.00 C ATOM 726 C ASN A 43 0.498 -11.085 2.223 1.00 0.00 C ATOM 727 O ASN A 43 0.513 -12.269 1.902 1.00 0.00 O ATOM 728 CB ASN A 43 1.357 -10.576 4.494 1.00 0.00 C ATOM 729 CG ASN A 43 2.470 -10.064 5.380 1.00 0.00 C ATOM 730 OD1 ASN A 43 3.647 -10.092 5.015 1.00 0.00 O ATOM 731 ND2 ASN A 43 2.112 -9.594 6.551 1.00 0.00 N ATOM 0 H ASN A 43 1.861 -8.402 3.374 1.00 0.00 H new ATOM 0 HA ASN A 43 2.580 -10.996 2.760 1.00 0.00 H new ATOM 0 HB2 ASN A 43 0.445 -10.021 4.715 1.00 0.00 H new ATOM 0 HB3 ASN A 43 1.162 -11.620 4.738 1.00 0.00 H new ATOM 0 HD21 ASN A 43 2.818 -9.235 7.194 1.00 0.00 H new ATOM 0 HD22 ASN A 43 1.128 -9.587 6.818 1.00 0.00 H new ATOM 738 N LYS A 44 -0.488 -10.258 1.916 1.00 0.00 N ATOM 739 CA LYS A 44 -1.672 -10.641 1.150 1.00 0.00 C ATOM 740 C LYS A 44 -1.257 -11.200 -0.202 1.00 0.00 C ATOM 741 O LYS A 44 -1.697 -12.265 -0.615 1.00 0.00 O ATOM 742 CB LYS A 44 -2.548 -9.391 0.949 1.00 0.00 C ATOM 743 CG LYS A 44 -3.831 -9.587 0.152 1.00 0.00 C ATOM 744 CD LYS A 44 -4.560 -8.251 -0.099 1.00 0.00 C ATOM 745 CE LYS A 44 -4.958 -7.546 1.199 1.00 0.00 C ATOM 746 NZ LYS A 44 -5.738 -6.298 0.960 1.00 0.00 N ATOM 0 H LYS A 44 -0.491 -9.278 2.197 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.230 -11.408 1.688 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -2.812 -8.997 1.930 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -1.948 -8.630 0.450 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -3.597 -10.058 -0.803 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -4.492 -10.266 0.690 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -3.915 -7.594 -0.682 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -5.453 -8.435 -0.697 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -5.549 -8.227 1.811 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -4.059 -7.305 1.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -5.836 -5.773 1.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -5.242 -5.706 0.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -6.681 -6.542 0.597 1.00 0.00 H new ATOM 760 N PHE A 45 -0.379 -10.499 -0.846 1.00 0.00 N ATOM 761 CA PHE A 45 0.097 -10.877 -2.141 1.00 0.00 C ATOM 762 C PHE A 45 1.194 -11.916 -2.065 1.00 0.00 C ATOM 763 O PHE A 45 1.255 -12.813 -2.904 1.00 0.00 O ATOM 764 CB PHE A 45 0.513 -9.636 -2.921 1.00 0.00 C ATOM 765 CG PHE A 45 -0.672 -8.907 -3.484 1.00 0.00 C ATOM 766 CD1 PHE A 45 -1.426 -8.035 -2.702 1.00 0.00 C ATOM 767 CD2 PHE A 45 -1.057 -9.124 -4.791 1.00 0.00 C ATOM 768 CE1 PHE A 45 -2.525 -7.394 -3.229 1.00 0.00 C ATOM 769 CE2 PHE A 45 -2.156 -8.489 -5.316 1.00 0.00 C ATOM 770 CZ PHE A 45 -2.891 -7.621 -4.534 1.00 0.00 C ATOM 0 H PHE A 45 0.033 -9.639 -0.485 1.00 0.00 H new ATOM 0 HA PHE A 45 -0.717 -11.357 -2.684 1.00 0.00 H new ATOM 0 HB2 PHE A 45 1.074 -8.968 -2.268 1.00 0.00 H new ATOM 0 HB3 PHE A 45 1.181 -9.924 -3.732 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -1.146 -7.860 -1.674 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -0.487 -9.802 -5.409 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -3.099 -6.714 -2.617 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -2.445 -8.669 -6.341 1.00 0.00 H new ATOM 0 HZ PHE A 45 -3.754 -7.120 -4.948 1.00 0.00 H new ATOM 780 N MET A 46 2.010 -11.842 -1.027 1.00 0.00 N ATOM 781 CA MET A 46 3.129 -12.781 -0.857 1.00 0.00 C ATOM 782 C MET A 46 2.590 -14.177 -0.559 1.00 0.00 C ATOM 783 O MET A 46 3.196 -15.186 -0.918 1.00 0.00 O ATOM 784 CB MET A 46 4.039 -12.367 0.305 1.00 0.00 C ATOM 785 CG MET A 46 4.569 -10.952 0.258 1.00 0.00 C ATOM 786 SD MET A 46 5.693 -10.571 1.622 1.00 0.00 S ATOM 787 CE MET A 46 7.061 -11.644 1.241 1.00 0.00 C ATOM 0 H MET A 46 1.927 -11.146 -0.286 1.00 0.00 H new ATOM 0 HA MET A 46 3.704 -12.774 -1.783 1.00 0.00 H new ATOM 0 HB2 MET A 46 3.488 -12.497 1.236 1.00 0.00 H new ATOM 0 HB3 MET A 46 4.887 -13.051 0.338 1.00 0.00 H new ATOM 0 HG2 MET A 46 5.088 -10.796 -0.688 1.00 0.00 H new ATOM 0 HG3 MET A 46 3.731 -10.255 0.280 1.00 0.00 H new ATOM 0 HE1 MET A 46 7.959 -11.279 1.738 1.00 0.00 H new ATOM 0 HE2 MET A 46 6.839 -12.653 1.588 1.00 0.00 H new ATOM 0 HE3 MET A 46 7.223 -11.658 0.163 1.00 0.00 H new ATOM 1151 N LEU B 6 8.609 14.948 -2.823 1.00 0.00 N ATOM 1152 CA LEU B 6 8.509 14.053 -1.695 1.00 0.00 C ATOM 1153 C LEU B 6 7.634 12.877 -2.128 1.00 0.00 C ATOM 1154 O LEU B 6 7.982 11.717 -1.927 1.00 0.00 O ATOM 1155 CB LEU B 6 7.935 14.824 -0.466 1.00 0.00 C ATOM 1156 CG LEU B 6 7.739 14.075 0.883 1.00 0.00 C ATOM 1157 CD1 LEU B 6 6.504 13.195 0.879 1.00 0.00 C ATOM 1158 CD2 LEU B 6 8.977 13.263 1.243 1.00 0.00 C ATOM 0 HA LEU B 6 9.481 13.668 -1.386 1.00 0.00 H new ATOM 0 HB2 LEU B 6 8.592 15.672 -0.276 1.00 0.00 H new ATOM 0 HB3 LEU B 6 6.967 15.230 -0.758 1.00 0.00 H new ATOM 0 HG LEU B 6 7.589 14.837 1.648 1.00 0.00 H new ATOM 0 HD11 LEU B 6 6.411 12.694 1.842 1.00 0.00 H new ATOM 0 HD12 LEU B 6 5.621 13.809 0.703 1.00 0.00 H new ATOM 0 HD13 LEU B 6 6.591 12.449 0.089 1.00 0.00 H new ATOM 0 HD21 LEU B 6 8.813 12.750 2.190 1.00 0.00 H new ATOM 0 HD22 LEU B 6 9.170 12.529 0.461 1.00 0.00 H new ATOM 0 HD23 LEU B 6 9.835 13.929 1.335 1.00 0.00 H new ATOM 1170 N LYS B 7 6.525 13.202 -2.781 1.00 0.00 N ATOM 1171 CA LYS B 7 5.624 12.208 -3.341 1.00 0.00 C ATOM 1172 C LYS B 7 6.336 11.426 -4.429 1.00 0.00 C ATOM 1173 O LYS B 7 6.099 10.251 -4.603 1.00 0.00 O ATOM 1174 CB LYS B 7 4.359 12.884 -3.880 1.00 0.00 C ATOM 1175 CG LYS B 7 3.084 12.409 -3.201 1.00 0.00 C ATOM 1176 CD LYS B 7 2.666 10.999 -3.636 1.00 0.00 C ATOM 1177 CE LYS B 7 2.065 10.993 -5.031 1.00 0.00 C ATOM 1178 NZ LYS B 7 1.552 9.660 -5.403 1.00 0.00 N ATOM 0 H LYS B 7 6.226 14.165 -2.936 1.00 0.00 H new ATOM 0 HA LYS B 7 5.323 11.511 -2.559 1.00 0.00 H new ATOM 0 HB2 LYS B 7 4.450 13.963 -3.752 1.00 0.00 H new ATOM 0 HB3 LYS B 7 4.283 12.695 -4.951 1.00 0.00 H new ATOM 0 HG2 LYS B 7 3.227 12.423 -2.120 1.00 0.00 H new ATOM 0 HG3 LYS B 7 2.277 13.107 -3.425 1.00 0.00 H new ATOM 0 HD2 LYS B 7 3.533 10.339 -3.611 1.00 0.00 H new ATOM 0 HD3 LYS B 7 1.941 10.600 -2.926 1.00 0.00 H new ATOM 0 HE2 LYS B 7 1.255 11.721 -5.081 1.00 0.00 H new ATOM 0 HE3 LYS B 7 2.819 11.306 -5.753 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 1.259 9.667 -6.401 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 2.299 8.950 -5.266 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 0.736 9.423 -4.804 1.00 0.00 H new ATOM 1192 N ASN B 8 7.228 12.106 -5.124 1.00 0.00 N ATOM 1193 CA ASN B 8 8.087 11.517 -6.162 1.00 0.00 C ATOM 1194 C ASN B 8 8.936 10.402 -5.554 1.00 0.00 C ATOM 1195 O ASN B 8 9.039 9.312 -6.110 1.00 0.00 O ATOM 1196 CB ASN B 8 9.015 12.602 -6.716 1.00 0.00 C ATOM 1197 CG ASN B 8 9.929 12.154 -7.831 1.00 0.00 C ATOM 1198 OD1 ASN B 8 11.008 11.607 -7.599 1.00 0.00 O ATOM 1199 ND2 ASN B 8 9.554 12.460 -9.027 1.00 0.00 N ATOM 0 H ASN B 8 7.387 13.104 -4.988 1.00 0.00 H new ATOM 0 HA ASN B 8 7.466 11.109 -6.960 1.00 0.00 H new ATOM 0 HB2 ASN B 8 8.405 13.430 -7.077 1.00 0.00 H new ATOM 0 HB3 ASN B 8 9.625 12.988 -5.900 1.00 0.00 H new ATOM 0 HD21 ASN B 8 10.159 12.249 -9.821 1.00 0.00 H new ATOM 0 HD22 ASN B 8 8.653 12.913 -9.179 1.00 0.00 H new ATOM 1206 N LYS B 9 9.524 10.685 -4.396 1.00 0.00 N ATOM 1207 CA LYS B 9 10.335 9.711 -3.687 1.00 0.00 C ATOM 1208 C LYS B 9 9.469 8.589 -3.157 1.00 0.00 C ATOM 1209 O LYS B 9 9.891 7.438 -3.108 1.00 0.00 O ATOM 1210 CB LYS B 9 11.123 10.358 -2.549 1.00 0.00 C ATOM 1211 CG LYS B 9 12.095 11.440 -2.991 1.00 0.00 C ATOM 1212 CD LYS B 9 13.071 10.935 -4.041 1.00 0.00 C ATOM 1213 CE LYS B 9 14.112 11.988 -4.367 1.00 0.00 C ATOM 1214 NZ LYS B 9 15.014 11.564 -5.459 1.00 0.00 N ATOM 0 H LYS B 9 9.451 11.589 -3.929 1.00 0.00 H new ATOM 0 HA LYS B 9 11.053 9.299 -4.396 1.00 0.00 H new ATOM 0 HB2 LYS B 9 10.420 10.788 -1.836 1.00 0.00 H new ATOM 0 HB3 LYS B 9 11.678 9.582 -2.021 1.00 0.00 H new ATOM 0 HG2 LYS B 9 11.537 12.286 -3.392 1.00 0.00 H new ATOM 0 HG3 LYS B 9 12.649 11.804 -2.126 1.00 0.00 H new ATOM 0 HD2 LYS B 9 13.563 10.032 -3.681 1.00 0.00 H new ATOM 0 HD3 LYS B 9 12.528 10.663 -4.946 1.00 0.00 H new ATOM 0 HE2 LYS B 9 13.612 12.915 -4.650 1.00 0.00 H new ATOM 0 HE3 LYS B 9 14.700 12.203 -3.475 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 15.708 12.315 -5.647 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 15.512 10.694 -5.180 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 14.457 11.384 -6.319 1.00 0.00 H new ATOM 1228 N ILE B 10 8.257 8.930 -2.772 1.00 0.00 N ATOM 1229 CA ILE B 10 7.288 7.952 -2.336 1.00 0.00 C ATOM 1230 C ILE B 10 6.963 7.010 -3.477 1.00 0.00 C ATOM 1231 O ILE B 10 7.011 5.802 -3.300 1.00 0.00 O ATOM 1232 CB ILE B 10 6.015 8.627 -1.766 1.00 0.00 C ATOM 1233 CG1 ILE B 10 6.363 9.293 -0.434 1.00 0.00 C ATOM 1234 CG2 ILE B 10 4.855 7.637 -1.616 1.00 0.00 C ATOM 1235 CD1 ILE B 10 5.226 10.031 0.205 1.00 0.00 C ATOM 0 H ILE B 10 7.918 9.892 -2.753 1.00 0.00 H new ATOM 0 HA ILE B 10 7.720 7.370 -1.522 1.00 0.00 H new ATOM 0 HB ILE B 10 5.672 9.385 -2.471 1.00 0.00 H new ATOM 0 HG12 ILE B 10 6.719 8.530 0.258 1.00 0.00 H new ATOM 0 HG13 ILE B 10 7.187 9.988 -0.594 1.00 0.00 H new ATOM 0 HG21 ILE B 10 3.985 8.155 -1.213 1.00 0.00 H new ATOM 0 HG22 ILE B 10 4.608 7.216 -2.590 1.00 0.00 H new ATOM 0 HG23 ILE B 10 5.146 6.835 -0.937 1.00 0.00 H new ATOM 0 HD11 ILE B 10 5.560 10.472 1.144 1.00 0.00 H new ATOM 0 HD12 ILE B 10 4.882 10.820 -0.464 1.00 0.00 H new ATOM 0 HD13 ILE B 10 4.407 9.339 0.401 1.00 0.00 H new ATOM 1247 N GLU B 11 6.692 7.575 -4.654 1.00 0.00 N ATOM 1248 CA GLU B 11 6.461 6.806 -5.873 1.00 0.00 C ATOM 1249 C GLU B 11 7.651 5.904 -6.125 1.00 0.00 C ATOM 1250 O GLU B 11 7.501 4.702 -6.323 1.00 0.00 O ATOM 1251 CB GLU B 11 6.261 7.740 -7.077 1.00 0.00 C ATOM 1252 CG GLU B 11 5.039 8.634 -6.984 1.00 0.00 C ATOM 1253 CD GLU B 11 3.764 7.859 -6.976 1.00 0.00 C ATOM 1254 OE1 GLU B 11 3.249 7.506 -8.058 1.00 0.00 O ATOM 1255 OE2 GLU B 11 3.230 7.582 -5.893 1.00 0.00 O ATOM 0 H GLU B 11 6.627 8.584 -4.787 1.00 0.00 H new ATOM 0 HA GLU B 11 5.558 6.208 -5.746 1.00 0.00 H new ATOM 0 HB2 GLU B 11 7.146 8.366 -7.186 1.00 0.00 H new ATOM 0 HB3 GLU B 11 6.185 7.136 -7.981 1.00 0.00 H new ATOM 0 HG2 GLU B 11 5.101 9.235 -6.077 1.00 0.00 H new ATOM 0 HG3 GLU B 11 5.034 9.326 -7.826 1.00 0.00 H new ATOM 1262 N ASN B 12 8.824 6.497 -6.061 1.00 0.00 N ATOM 1263 CA ASN B 12 10.090 5.804 -6.243 1.00 0.00 C ATOM 1264 C ASN B 12 10.245 4.613 -5.298 1.00 0.00 C ATOM 1265 O ASN B 12 10.512 3.493 -5.742 1.00 0.00 O ATOM 1266 CB ASN B 12 11.274 6.781 -6.053 1.00 0.00 C ATOM 1267 CG ASN B 12 12.623 6.075 -5.996 1.00 0.00 C ATOM 1268 OD1 ASN B 12 13.261 5.840 -7.022 1.00 0.00 O ATOM 1269 ND2 ASN B 12 13.086 5.787 -4.810 1.00 0.00 N ATOM 0 H ASN B 12 8.931 7.495 -5.877 1.00 0.00 H new ATOM 0 HA ASN B 12 10.094 5.417 -7.262 1.00 0.00 H new ATOM 0 HB2 ASN B 12 11.280 7.500 -6.872 1.00 0.00 H new ATOM 0 HB3 ASN B 12 11.127 7.347 -5.133 1.00 0.00 H new ATOM 0 HD21 ASN B 12 14.004 5.353 -4.712 1.00 0.00 H new ATOM 0 HD22 ASN B 12 12.530 5.996 -3.981 1.00 0.00 H new ATOM 1276 N LYS B 13 10.054 4.854 -4.019 1.00 0.00 N ATOM 1277 CA LYS B 13 10.272 3.847 -2.997 1.00 0.00 C ATOM 1278 C LYS B 13 9.213 2.764 -3.085 1.00 0.00 C ATOM 1279 O LYS B 13 9.512 1.579 -2.940 1.00 0.00 O ATOM 1280 CB LYS B 13 10.257 4.492 -1.621 1.00 0.00 C ATOM 1281 CG LYS B 13 10.894 3.651 -0.525 1.00 0.00 C ATOM 1282 CD LYS B 13 12.371 3.389 -0.802 1.00 0.00 C ATOM 1283 CE LYS B 13 13.170 4.674 -0.928 1.00 0.00 C ATOM 1284 NZ LYS B 13 14.589 4.412 -1.225 1.00 0.00 N ATOM 0 H LYS B 13 9.743 5.755 -3.655 1.00 0.00 H new ATOM 0 HA LYS B 13 11.247 3.387 -3.160 1.00 0.00 H new ATOM 0 HB2 LYS B 13 10.776 5.449 -1.676 1.00 0.00 H new ATOM 0 HB3 LYS B 13 9.224 4.705 -1.344 1.00 0.00 H new ATOM 0 HG2 LYS B 13 10.788 4.161 0.433 1.00 0.00 H new ATOM 0 HG3 LYS B 13 10.365 2.701 -0.441 1.00 0.00 H new ATOM 0 HD2 LYS B 13 12.787 2.782 0.002 1.00 0.00 H new ATOM 0 HD3 LYS B 13 12.469 2.811 -1.721 1.00 0.00 H new ATOM 0 HE2 LYS B 13 12.742 5.292 -1.718 1.00 0.00 H new ATOM 0 HE3 LYS B 13 13.092 5.242 -0.001 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 15.128 5.298 -1.153 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 14.965 3.722 -0.544 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 14.677 4.031 -2.189 1.00 0.00 H new ATOM 1298 N LYS B 14 7.987 3.193 -3.329 1.00 0.00 N ATOM 1299 CA LYS B 14 6.853 2.332 -3.550 1.00 0.00 C ATOM 1300 C LYS B 14 7.197 1.365 -4.673 1.00 0.00 C ATOM 1301 O LYS B 14 7.085 0.169 -4.517 1.00 0.00 O ATOM 1302 CB LYS B 14 5.659 3.216 -3.953 1.00 0.00 C ATOM 1303 CG LYS B 14 4.329 2.521 -4.162 1.00 0.00 C ATOM 1304 CD LYS B 14 3.253 3.516 -4.616 1.00 0.00 C ATOM 1305 CE LYS B 14 3.477 3.961 -6.046 1.00 0.00 C ATOM 1306 NZ LYS B 14 2.550 5.044 -6.470 1.00 0.00 N ATOM 0 H LYS B 14 7.753 4.184 -3.379 1.00 0.00 H new ATOM 0 HA LYS B 14 6.602 1.764 -2.654 1.00 0.00 H new ATOM 0 HB2 LYS B 14 5.526 3.977 -3.184 1.00 0.00 H new ATOM 0 HB3 LYS B 14 5.918 3.736 -4.875 1.00 0.00 H new ATOM 0 HG2 LYS B 14 4.439 1.734 -4.908 1.00 0.00 H new ATOM 0 HG3 LYS B 14 4.017 2.040 -3.235 1.00 0.00 H new ATOM 0 HD2 LYS B 14 2.269 3.055 -4.527 1.00 0.00 H new ATOM 0 HD3 LYS B 14 3.259 4.385 -3.958 1.00 0.00 H new ATOM 0 HE2 LYS B 14 4.505 4.306 -6.156 1.00 0.00 H new ATOM 0 HE3 LYS B 14 3.355 3.105 -6.710 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 2.693 5.248 -7.480 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 1.567 4.741 -6.314 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 2.740 5.902 -5.913 1.00 0.00 H new ATOM 1320 N LYS B 15 7.683 1.914 -5.780 1.00 0.00 N ATOM 1321 CA LYS B 15 8.075 1.129 -6.940 1.00 0.00 C ATOM 1322 C LYS B 15 9.245 0.204 -6.630 1.00 0.00 C ATOM 1323 O LYS B 15 9.239 -0.946 -7.057 1.00 0.00 O ATOM 1324 CB LYS B 15 8.360 2.029 -8.146 1.00 0.00 C ATOM 1325 CG LYS B 15 7.107 2.741 -8.656 1.00 0.00 C ATOM 1326 CD LYS B 15 7.377 3.766 -9.766 1.00 0.00 C ATOM 1327 CE LYS B 15 7.664 3.154 -11.154 1.00 0.00 C ATOM 1328 NZ LYS B 15 8.942 2.390 -11.251 1.00 0.00 N ATOM 0 H LYS B 15 7.816 2.919 -5.897 1.00 0.00 H new ATOM 0 HA LYS B 15 7.233 0.489 -7.203 1.00 0.00 H new ATOM 0 HB2 LYS B 15 9.109 2.772 -7.872 1.00 0.00 H new ATOM 0 HB3 LYS B 15 8.785 1.429 -8.950 1.00 0.00 H new ATOM 0 HG2 LYS B 15 6.404 1.995 -9.028 1.00 0.00 H new ATOM 0 HG3 LYS B 15 6.623 3.246 -7.820 1.00 0.00 H new ATOM 0 HD2 LYS B 15 6.515 4.428 -9.847 1.00 0.00 H new ATOM 0 HD3 LYS B 15 8.227 4.383 -9.473 1.00 0.00 H new ATOM 0 HE2 LYS B 15 6.840 2.492 -11.420 1.00 0.00 H new ATOM 0 HE3 LYS B 15 7.680 3.956 -11.892 1.00 0.00 H new ATOM 0 HZ1 LYS B 15 9.372 2.549 -12.185 1.00 0.00 H new ATOM 0 HZ2 LYS B 15 9.596 2.712 -10.510 1.00 0.00 H new ATOM 0 HZ3 LYS B 15 8.750 1.375 -11.126 1.00 0.00 H new ATOM 1342 N GLU B 16 10.229 0.692 -5.855 1.00 0.00 N ATOM 1343 CA GLU B 16 11.355 -0.152 -5.419 1.00 0.00 C ATOM 1344 C GLU B 16 10.829 -1.369 -4.666 1.00 0.00 C ATOM 1345 O GLU B 16 11.289 -2.493 -4.863 1.00 0.00 O ATOM 1346 CB GLU B 16 12.329 0.598 -4.491 1.00 0.00 C ATOM 1347 CG GLU B 16 13.181 1.685 -5.110 1.00 0.00 C ATOM 1348 CD GLU B 16 14.186 2.213 -4.105 1.00 0.00 C ATOM 1349 OE1 GLU B 16 15.087 1.445 -3.700 1.00 0.00 O ATOM 1350 OE2 GLU B 16 14.068 3.359 -3.653 1.00 0.00 O ATOM 0 H GLU B 16 10.268 1.655 -5.521 1.00 0.00 H new ATOM 0 HA GLU B 16 11.892 -0.447 -6.320 1.00 0.00 H new ATOM 0 HB2 GLU B 16 11.749 1.044 -3.683 1.00 0.00 H new ATOM 0 HB3 GLU B 16 12.996 -0.136 -4.038 1.00 0.00 H new ATOM 0 HG2 GLU B 16 13.703 1.293 -5.983 1.00 0.00 H new ATOM 0 HG3 GLU B 16 12.545 2.499 -5.458 1.00 0.00 H new ATOM 1357 N LEU B 17 9.843 -1.125 -3.838 1.00 0.00 N ATOM 1358 CA LEU B 17 9.227 -2.141 -3.032 1.00 0.00 C ATOM 1359 C LEU B 17 8.393 -3.081 -3.870 1.00 0.00 C ATOM 1360 O LEU B 17 8.446 -4.290 -3.666 1.00 0.00 O ATOM 1361 CB LEU B 17 8.426 -1.478 -1.877 1.00 0.00 C ATOM 1362 CG LEU B 17 7.439 -2.324 -1.054 1.00 0.00 C ATOM 1363 CD1 LEU B 17 6.144 -2.569 -1.776 1.00 0.00 C ATOM 1364 CD2 LEU B 17 8.075 -3.603 -0.534 1.00 0.00 C ATOM 0 H LEU B 17 9.442 -0.197 -3.706 1.00 0.00 H new ATOM 0 HA LEU B 17 10.001 -2.761 -2.580 1.00 0.00 H new ATOM 0 HB2 LEU B 17 9.149 -1.052 -1.182 1.00 0.00 H new ATOM 0 HB3 LEU B 17 7.866 -0.646 -2.304 1.00 0.00 H new ATOM 0 HG LEU B 17 7.181 -1.731 -0.176 1.00 0.00 H new ATOM 0 HD11 LEU B 17 5.486 -3.171 -1.149 1.00 0.00 H new ATOM 0 HD12 LEU B 17 5.664 -1.615 -1.996 1.00 0.00 H new ATOM 0 HD13 LEU B 17 6.342 -3.099 -2.708 1.00 0.00 H new ATOM 0 HD21 LEU B 17 7.340 -4.167 0.041 1.00 0.00 H new ATOM 0 HD22 LEU B 17 8.419 -4.206 -1.374 1.00 0.00 H new ATOM 0 HD23 LEU B 17 8.922 -3.354 0.105 1.00 0.00 H new ATOM 1376 N ILE B 18 7.623 -2.533 -4.795 1.00 0.00 N ATOM 1377 CA ILE B 18 6.765 -3.335 -5.659 1.00 0.00 C ATOM 1378 C ILE B 18 7.602 -4.383 -6.376 1.00 0.00 C ATOM 1379 O ILE B 18 7.239 -5.551 -6.434 1.00 0.00 O ATOM 1380 CB ILE B 18 6.003 -2.457 -6.698 1.00 0.00 C ATOM 1381 CG1 ILE B 18 5.067 -1.490 -5.978 1.00 0.00 C ATOM 1382 CG2 ILE B 18 5.205 -3.329 -7.683 1.00 0.00 C ATOM 1383 CD1 ILE B 18 4.485 -0.418 -6.867 1.00 0.00 C ATOM 0 H ILE B 18 7.573 -1.529 -4.970 1.00 0.00 H new ATOM 0 HA ILE B 18 6.018 -3.822 -5.032 1.00 0.00 H new ATOM 0 HB ILE B 18 6.739 -1.889 -7.268 1.00 0.00 H new ATOM 0 HG12 ILE B 18 4.251 -2.057 -5.529 1.00 0.00 H new ATOM 0 HG13 ILE B 18 5.611 -1.014 -5.162 1.00 0.00 H new ATOM 0 HG21 ILE B 18 4.684 -2.689 -8.396 1.00 0.00 H new ATOM 0 HG22 ILE B 18 5.887 -3.989 -8.219 1.00 0.00 H new ATOM 0 HG23 ILE B 18 4.478 -3.927 -7.133 1.00 0.00 H new ATOM 0 HD11 ILE B 18 3.832 0.227 -6.279 1.00 0.00 H new ATOM 0 HD12 ILE B 18 5.292 0.177 -7.296 1.00 0.00 H new ATOM 0 HD13 ILE B 18 3.911 -0.882 -7.669 1.00 0.00 H new ATOM 1395 N GLN B 19 8.758 -3.949 -6.846 1.00 0.00 N ATOM 1396 CA GLN B 19 9.713 -4.806 -7.526 1.00 0.00 C ATOM 1397 C GLN B 19 10.221 -5.911 -6.591 1.00 0.00 C ATOM 1398 O GLN B 19 10.445 -7.050 -7.019 1.00 0.00 O ATOM 1399 CB GLN B 19 10.872 -3.967 -8.056 1.00 0.00 C ATOM 1400 CG GLN B 19 10.437 -2.923 -9.069 1.00 0.00 C ATOM 1401 CD GLN B 19 11.549 -1.980 -9.488 1.00 0.00 C ATOM 1402 OE1 GLN B 19 12.480 -1.689 -8.716 1.00 0.00 O ATOM 1403 NE2 GLN B 19 11.455 -1.472 -10.688 1.00 0.00 N ATOM 0 H GLN B 19 9.064 -2.979 -6.765 1.00 0.00 H new ATOM 0 HA GLN B 19 9.215 -5.289 -8.366 1.00 0.00 H new ATOM 0 HB2 GLN B 19 11.365 -3.470 -7.220 1.00 0.00 H new ATOM 0 HB3 GLN B 19 11.609 -4.626 -8.515 1.00 0.00 H new ATOM 0 HG2 GLN B 19 10.048 -3.428 -9.953 1.00 0.00 H new ATOM 0 HG3 GLN B 19 9.618 -2.340 -8.648 1.00 0.00 H new ATOM 0 HE21 GLN B 19 10.677 -1.734 -11.293 1.00 0.00 H new ATOM 0 HE22 GLN B 19 12.160 -0.813 -11.020 1.00 0.00 H new ATOM 1412 N LEU B 20 10.366 -5.586 -5.318 1.00 0.00 N ATOM 1413 CA LEU B 20 10.804 -6.552 -4.329 1.00 0.00 C ATOM 1414 C LEU B 20 9.705 -7.565 -4.026 1.00 0.00 C ATOM 1415 O LEU B 20 9.963 -8.768 -4.012 1.00 0.00 O ATOM 1416 CB LEU B 20 11.306 -5.879 -3.047 1.00 0.00 C ATOM 1417 CG LEU B 20 12.561 -5.005 -3.189 1.00 0.00 C ATOM 1418 CD1 LEU B 20 12.952 -4.424 -1.852 1.00 0.00 C ATOM 1419 CD2 LEU B 20 13.721 -5.802 -3.768 1.00 0.00 C ATOM 0 H LEU B 20 10.185 -4.654 -4.945 1.00 0.00 H new ATOM 0 HA LEU B 20 11.650 -7.089 -4.759 1.00 0.00 H new ATOM 0 HB2 LEU B 20 10.502 -5.262 -2.646 1.00 0.00 H new ATOM 0 HB3 LEU B 20 11.510 -6.655 -2.309 1.00 0.00 H new ATOM 0 HG LEU B 20 12.326 -4.192 -3.876 1.00 0.00 H new ATOM 0 HD11 LEU B 20 13.843 -3.807 -1.970 1.00 0.00 H new ATOM 0 HD12 LEU B 20 12.135 -3.812 -1.468 1.00 0.00 H new ATOM 0 HD13 LEU B 20 13.160 -5.232 -1.151 1.00 0.00 H new ATOM 0 HD21 LEU B 20 14.596 -5.158 -3.857 1.00 0.00 H new ATOM 0 HD22 LEU B 20 13.952 -6.639 -3.109 1.00 0.00 H new ATOM 0 HD23 LEU B 20 13.447 -6.180 -4.753 1.00 0.00 H new ATOM 1431 N VAL B 21 8.477 -7.086 -3.791 1.00 0.00 N ATOM 1432 CA VAL B 21 7.336 -7.998 -3.589 1.00 0.00 C ATOM 1433 C VAL B 21 7.128 -8.877 -4.839 1.00 0.00 C ATOM 1434 O VAL B 21 6.817 -10.065 -4.742 1.00 0.00 O ATOM 1435 CB VAL B 21 6.027 -7.229 -3.301 1.00 0.00 C ATOM 1436 CG1 VAL B 21 4.897 -8.182 -2.932 1.00 0.00 C ATOM 1437 CG2 VAL B 21 6.241 -6.214 -2.215 1.00 0.00 C ATOM 0 H VAL B 21 8.247 -6.094 -3.736 1.00 0.00 H new ATOM 0 HA VAL B 21 7.572 -8.618 -2.725 1.00 0.00 H new ATOM 0 HB VAL B 21 5.737 -6.706 -4.212 1.00 0.00 H new ATOM 0 HG11 VAL B 21 3.989 -7.611 -2.735 1.00 0.00 H new ATOM 0 HG12 VAL B 21 4.720 -8.873 -3.756 1.00 0.00 H new ATOM 0 HG13 VAL B 21 5.172 -8.745 -2.040 1.00 0.00 H new ATOM 0 HG21 VAL B 21 5.309 -5.682 -2.025 1.00 0.00 H new ATOM 0 HG22 VAL B 21 6.563 -6.718 -1.304 1.00 0.00 H new ATOM 0 HG23 VAL B 21 7.007 -5.504 -2.526 1.00 0.00 H new ATOM 1447 N ALA B 22 7.337 -8.283 -5.997 1.00 0.00 N ATOM 1448 CA ALA B 22 7.189 -8.966 -7.266 1.00 0.00 C ATOM 1449 C ALA B 22 8.173 -10.123 -7.393 1.00 0.00 C ATOM 1450 O ALA B 22 7.776 -11.262 -7.687 1.00 0.00 O ATOM 1451 CB ALA B 22 7.369 -7.989 -8.412 1.00 0.00 C ATOM 0 H ALA B 22 7.616 -7.306 -6.084 1.00 0.00 H new ATOM 0 HA ALA B 22 6.182 -9.380 -7.309 1.00 0.00 H new ATOM 0 HB1 ALA B 22 7.255 -8.515 -9.360 1.00 0.00 H new ATOM 0 HB2 ALA B 22 6.618 -7.203 -8.341 1.00 0.00 H new ATOM 0 HB3 ALA B 22 8.364 -7.546 -8.360 1.00 0.00 H new ATOM 1457 N ARG B 23 9.449 -9.848 -7.096 1.00 0.00 N ATOM 1458 CA ARG B 23 10.510 -10.850 -7.223 1.00 0.00 C ATOM 1459 C ARG B 23 10.439 -11.904 -6.118 1.00 0.00 C ATOM 1460 O ARG B 23 11.202 -12.875 -6.128 1.00 0.00 O ATOM 1461 CB ARG B 23 11.901 -10.211 -7.257 1.00 0.00 C ATOM 1462 CG ARG B 23 12.306 -9.523 -5.967 1.00 0.00 C ATOM 1463 CD ARG B 23 13.695 -8.935 -6.068 1.00 0.00 C ATOM 1464 NE ARG B 23 14.688 -9.971 -6.357 1.00 0.00 N ATOM 1465 CZ ARG B 23 15.827 -9.769 -7.027 1.00 0.00 C ATOM 1466 NH1 ARG B 23 16.185 -8.541 -7.401 1.00 0.00 N ATOM 1467 NH2 ARG B 23 16.609 -10.797 -7.307 1.00 0.00 N ATOM 0 H ARG B 23 9.770 -8.938 -6.766 1.00 0.00 H new ATOM 0 HA ARG B 23 10.343 -11.349 -8.177 1.00 0.00 H new ATOM 0 HB2 ARG B 23 12.636 -10.982 -7.490 1.00 0.00 H new ATOM 0 HB3 ARG B 23 11.934 -9.484 -8.068 1.00 0.00 H new ATOM 0 HG2 ARG B 23 11.591 -8.734 -5.734 1.00 0.00 H new ATOM 0 HG3 ARG B 23 12.271 -10.238 -5.145 1.00 0.00 H new ATOM 0 HD2 ARG B 23 13.716 -8.178 -6.852 1.00 0.00 H new ATOM 0 HD3 ARG B 23 13.950 -8.434 -5.134 1.00 0.00 H new ATOM 0 HE ARG B 23 14.497 -10.916 -6.023 1.00 0.00 H new ATOM 0 HH11 ARG B 23 15.588 -7.745 -7.176 1.00 0.00 H new ATOM 0 HH12 ARG B 23 17.056 -8.397 -7.912 1.00 0.00 H new ATOM 0 HH21 ARG B 23 16.342 -11.736 -7.012 1.00 0.00 H new ATOM 0 HH22 ARG B 23 17.480 -10.651 -7.818 1.00 0.00 H new ATOM 1481 N HIS B 24 9.561 -11.686 -5.147 1.00 0.00 N ATOM 1482 CA HIS B 24 9.291 -12.680 -4.128 1.00 0.00 C ATOM 1483 C HIS B 24 8.674 -13.908 -4.793 1.00 0.00 C ATOM 1484 O HIS B 24 9.015 -15.056 -4.467 1.00 0.00 O ATOM 1485 CB HIS B 24 8.350 -12.103 -3.035 1.00 0.00 C ATOM 1486 CG HIS B 24 7.749 -13.136 -2.110 1.00 0.00 C ATOM 1487 ND1 HIS B 24 8.389 -13.740 -1.044 1.00 0.00 N ATOM 1488 CD2 HIS B 24 6.540 -13.684 -2.162 1.00 0.00 C ATOM 1489 CE1 HIS B 24 7.545 -14.626 -0.511 1.00 0.00 C ATOM 1490 NE2 HIS B 24 6.399 -14.630 -1.155 1.00 0.00 N ATOM 0 H HIS B 24 9.024 -10.824 -5.048 1.00 0.00 H new ATOM 0 HA HIS B 24 10.221 -12.966 -3.637 1.00 0.00 H new ATOM 0 HB2 HIS B 24 8.908 -11.382 -2.438 1.00 0.00 H new ATOM 0 HB3 HIS B 24 7.542 -11.557 -3.522 1.00 0.00 H new ATOM 0 HD2 HIS B 24 5.777 -13.431 -2.883 1.00 0.00 H new ATOM 0 HE1 HIS B 24 7.773 -15.256 0.336 1.00 0.00 H new ATOM 0 HE2 HIS B 24 5.580 -15.205 -0.957 1.00 0.00 H new ATOM 1498 N GLY B 25 7.798 -13.651 -5.737 1.00 0.00 N ATOM 1499 CA GLY B 25 7.151 -14.706 -6.448 1.00 0.00 C ATOM 1500 C GLY B 25 5.766 -14.323 -6.867 1.00 0.00 C ATOM 1501 O GLY B 25 4.824 -15.106 -6.707 1.00 0.00 O ATOM 0 H GLY B 25 7.523 -12.712 -6.024 1.00 0.00 H new ATOM 0 HA2 GLY B 25 7.739 -14.966 -7.328 1.00 0.00 H new ATOM 0 HA3 GLY B 25 7.108 -15.596 -5.820 1.00 0.00 H new ATOM 1505 N LEU B 26 5.617 -13.118 -7.381 1.00 0.00 N ATOM 1506 CA LEU B 26 4.331 -12.678 -7.849 1.00 0.00 C ATOM 1507 C LEU B 26 4.173 -12.876 -9.308 1.00 0.00 C ATOM 1508 O LEU B 26 5.132 -12.731 -10.086 1.00 0.00 O ATOM 1509 CB LEU B 26 4.030 -11.222 -7.530 1.00 0.00 C ATOM 1510 CG LEU B 26 3.723 -10.886 -6.093 1.00 0.00 C ATOM 1511 CD1 LEU B 26 3.248 -9.452 -5.941 1.00 0.00 C ATOM 1512 CD2 LEU B 26 2.765 -11.879 -5.458 1.00 0.00 C ATOM 0 H LEU B 26 6.368 -12.435 -7.482 1.00 0.00 H new ATOM 0 HA LEU B 26 3.620 -13.302 -7.307 1.00 0.00 H new ATOM 0 HB2 LEU B 26 4.885 -10.623 -7.843 1.00 0.00 H new ATOM 0 HB3 LEU B 26 3.182 -10.910 -8.140 1.00 0.00 H new ATOM 0 HG LEU B 26 4.660 -10.972 -5.542 1.00 0.00 H new ATOM 0 HD11 LEU B 26 3.037 -9.248 -4.891 1.00 0.00 H new ATOM 0 HD12 LEU B 26 4.024 -8.772 -6.294 1.00 0.00 H new ATOM 0 HD13 LEU B 26 2.342 -9.305 -6.529 1.00 0.00 H new ATOM 0 HD21 LEU B 26 2.576 -11.592 -4.423 1.00 0.00 H new ATOM 0 HD22 LEU B 26 1.825 -11.882 -6.011 1.00 0.00 H new ATOM 0 HD23 LEU B 26 3.205 -12.876 -5.484 1.00 0.00 H new ATOM 1524 N ASP B 27 2.975 -13.220 -9.679 1.00 0.00 N ATOM 1525 CA ASP B 27 2.599 -13.292 -11.076 1.00 0.00 C ATOM 1526 C ASP B 27 2.513 -11.862 -11.557 1.00 0.00 C ATOM 1527 O ASP B 27 2.398 -10.943 -10.727 1.00 0.00 O ATOM 1528 CB ASP B 27 1.207 -13.925 -11.287 1.00 0.00 C ATOM 1529 CG ASP B 27 0.995 -15.284 -10.668 1.00 0.00 C ATOM 1530 OD1 ASP B 27 1.702 -16.240 -11.031 1.00 0.00 O ATOM 1531 OD2 ASP B 27 0.110 -15.427 -9.795 1.00 0.00 O ATOM 0 H ASP B 27 2.226 -13.460 -9.029 1.00 0.00 H new ATOM 0 HA ASP B 27 3.328 -13.903 -11.608 1.00 0.00 H new ATOM 0 HB2 ASP B 27 0.456 -13.244 -10.886 1.00 0.00 H new ATOM 0 HB3 ASP B 27 1.025 -14.004 -12.359 1.00 0.00 H new ATOM 1536 N HIS B 28 2.525 -11.646 -12.847 1.00 0.00 N ATOM 1537 CA HIS B 28 2.434 -10.284 -13.369 1.00 0.00 C ATOM 1538 C HIS B 28 1.142 -9.593 -12.940 1.00 0.00 C ATOM 1539 O HIS B 28 1.150 -8.402 -12.647 1.00 0.00 O ATOM 1540 CB HIS B 28 2.637 -10.210 -14.888 1.00 0.00 C ATOM 1541 CG HIS B 28 4.054 -10.445 -15.326 1.00 0.00 C ATOM 1542 ND1 HIS B 28 5.027 -9.467 -15.328 1.00 0.00 N ATOM 1543 CD2 HIS B 28 4.661 -11.570 -15.772 1.00 0.00 C ATOM 1544 CE1 HIS B 28 6.160 -10.003 -15.762 1.00 0.00 C ATOM 1545 NE2 HIS B 28 5.999 -11.289 -16.046 1.00 0.00 N ATOM 0 H HIS B 28 2.595 -12.376 -13.556 1.00 0.00 H new ATOM 0 HA HIS B 28 3.263 -9.736 -12.921 1.00 0.00 H new ATOM 0 HB2 HIS B 28 1.992 -10.947 -15.367 1.00 0.00 H new ATOM 0 HB3 HIS B 28 2.316 -9.229 -15.240 1.00 0.00 H new ATOM 0 HD2 HIS B 28 4.185 -12.531 -15.896 1.00 0.00 H new ATOM 0 HE1 HIS B 28 7.090 -9.464 -15.870 1.00 0.00 H new ATOM 0 HE2 HIS B 28 6.706 -11.937 -16.393 1.00 0.00 H new ATOM 1553 N ASP B 29 0.050 -10.362 -12.826 1.00 0.00 N ATOM 1554 CA ASP B 29 -1.233 -9.805 -12.386 1.00 0.00 C ATOM 1555 C ASP B 29 -1.119 -9.322 -10.954 1.00 0.00 C ATOM 1556 O ASP B 29 -1.633 -8.278 -10.607 1.00 0.00 O ATOM 1557 CB ASP B 29 -2.393 -10.823 -12.487 1.00 0.00 C ATOM 1558 CG ASP B 29 -2.315 -11.962 -11.473 1.00 0.00 C ATOM 1559 OD1 ASP B 29 -1.617 -12.931 -11.723 1.00 0.00 O ATOM 1560 OD2 ASP B 29 -2.936 -11.876 -10.393 1.00 0.00 O ATOM 0 H ASP B 29 0.030 -11.361 -13.030 1.00 0.00 H new ATOM 0 HA ASP B 29 -1.464 -8.975 -13.054 1.00 0.00 H new ATOM 0 HB2 ASP B 29 -3.337 -10.296 -12.352 1.00 0.00 H new ATOM 0 HB3 ASP B 29 -2.404 -11.246 -13.492 1.00 0.00 H new ATOM 1565 N LYS B 30 -0.391 -10.064 -10.159 1.00 0.00 N ATOM 1566 CA LYS B 30 -0.201 -9.770 -8.755 1.00 0.00 C ATOM 1567 C LYS B 30 0.499 -8.448 -8.586 1.00 0.00 C ATOM 1568 O LYS B 30 0.089 -7.636 -7.788 1.00 0.00 O ATOM 1569 CB LYS B 30 0.601 -10.874 -8.104 1.00 0.00 C ATOM 1570 CG LYS B 30 -0.063 -12.227 -8.133 1.00 0.00 C ATOM 1571 CD LYS B 30 -1.378 -12.253 -7.393 1.00 0.00 C ATOM 1572 CE LYS B 30 -2.025 -13.619 -7.512 1.00 0.00 C ATOM 1573 NZ LYS B 30 -2.160 -14.066 -8.932 1.00 0.00 N ATOM 0 H LYS B 30 0.096 -10.904 -10.471 1.00 0.00 H new ATOM 0 HA LYS B 30 -1.176 -9.708 -8.273 1.00 0.00 H new ATOM 0 HB2 LYS B 30 1.568 -10.947 -8.602 1.00 0.00 H new ATOM 0 HB3 LYS B 30 0.797 -10.601 -7.067 1.00 0.00 H new ATOM 0 HG2 LYS B 30 -0.229 -12.522 -9.169 1.00 0.00 H new ATOM 0 HG3 LYS B 30 0.609 -12.965 -7.695 1.00 0.00 H new ATOM 0 HD2 LYS B 30 -1.216 -12.011 -6.343 1.00 0.00 H new ATOM 0 HD3 LYS B 30 -2.045 -11.491 -7.797 1.00 0.00 H new ATOM 0 HE2 LYS B 30 -1.432 -14.348 -6.960 1.00 0.00 H new ATOM 0 HE3 LYS B 30 -3.011 -13.592 -7.047 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 -2.768 -14.908 -8.974 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 -2.585 -13.303 -9.497 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 -1.221 -14.298 -9.314 1.00 0.00 H new ATOM 1587 N VAL B 31 1.538 -8.239 -9.368 1.00 0.00 N ATOM 1588 CA VAL B 31 2.285 -6.992 -9.355 1.00 0.00 C ATOM 1589 C VAL B 31 1.364 -5.821 -9.732 1.00 0.00 C ATOM 1590 O VAL B 31 1.404 -4.755 -9.108 1.00 0.00 O ATOM 1591 CB VAL B 31 3.477 -7.056 -10.343 1.00 0.00 C ATOM 1592 CG1 VAL B 31 4.374 -5.836 -10.217 1.00 0.00 C ATOM 1593 CG2 VAL B 31 4.266 -8.334 -10.146 1.00 0.00 C ATOM 0 H VAL B 31 1.891 -8.928 -10.032 1.00 0.00 H new ATOM 0 HA VAL B 31 2.673 -6.837 -8.348 1.00 0.00 H new ATOM 0 HB VAL B 31 3.070 -7.057 -11.354 1.00 0.00 H new ATOM 0 HG11 VAL B 31 5.199 -5.916 -10.925 1.00 0.00 H new ATOM 0 HG12 VAL B 31 3.797 -4.936 -10.432 1.00 0.00 H new ATOM 0 HG13 VAL B 31 4.770 -5.779 -9.203 1.00 0.00 H new ATOM 0 HG21 VAL B 31 5.098 -8.360 -10.849 1.00 0.00 H new ATOM 0 HG22 VAL B 31 4.651 -8.371 -9.127 1.00 0.00 H new ATOM 0 HG23 VAL B 31 3.617 -9.193 -10.320 1.00 0.00 H new ATOM 1603 N LEU B 32 0.512 -6.043 -10.724 1.00 0.00 N ATOM 1604 CA LEU B 32 -0.436 -5.028 -11.182 1.00 0.00 C ATOM 1605 C LEU B 32 -1.451 -4.709 -10.083 1.00 0.00 C ATOM 1606 O LEU B 32 -1.674 -3.552 -9.740 1.00 0.00 O ATOM 1607 CB LEU B 32 -1.171 -5.510 -12.436 1.00 0.00 C ATOM 1608 CG LEU B 32 -0.293 -5.915 -13.621 1.00 0.00 C ATOM 1609 CD1 LEU B 32 -1.143 -6.347 -14.787 1.00 0.00 C ATOM 1610 CD2 LEU B 32 0.652 -4.795 -14.024 1.00 0.00 C ATOM 0 H LEU B 32 0.456 -6.925 -11.233 1.00 0.00 H new ATOM 0 HA LEU B 32 0.124 -4.124 -11.422 1.00 0.00 H new ATOM 0 HB2 LEU B 32 -1.792 -6.363 -12.162 1.00 0.00 H new ATOM 0 HB3 LEU B 32 -1.844 -4.718 -12.764 1.00 0.00 H new ATOM 0 HG LEU B 32 0.319 -6.761 -13.308 1.00 0.00 H new ATOM 0 HD11 LEU B 32 -0.500 -6.631 -15.620 1.00 0.00 H new ATOM 0 HD12 LEU B 32 -1.756 -7.199 -14.494 1.00 0.00 H new ATOM 0 HD13 LEU B 32 -1.789 -5.523 -15.091 1.00 0.00 H new ATOM 0 HD21 LEU B 32 1.260 -5.118 -14.869 1.00 0.00 H new ATOM 0 HD22 LEU B 32 0.074 -3.916 -14.309 1.00 0.00 H new ATOM 0 HD23 LEU B 32 1.301 -4.546 -13.184 1.00 0.00 H new ATOM 1622 N LEU B 33 -2.036 -5.748 -9.517 1.00 0.00 N ATOM 1623 CA LEU B 33 -3.026 -5.612 -8.449 1.00 0.00 C ATOM 1624 C LEU B 33 -2.417 -5.020 -7.194 1.00 0.00 C ATOM 1625 O LEU B 33 -3.058 -4.236 -6.492 1.00 0.00 O ATOM 1626 CB LEU B 33 -3.673 -6.956 -8.112 1.00 0.00 C ATOM 1627 CG LEU B 33 -4.865 -7.438 -8.959 1.00 0.00 C ATOM 1628 CD1 LEU B 33 -4.566 -7.436 -10.439 1.00 0.00 C ATOM 1629 CD2 LEU B 33 -5.255 -8.829 -8.518 1.00 0.00 C ATOM 0 H LEU B 33 -1.842 -6.714 -9.781 1.00 0.00 H new ATOM 0 HA LEU B 33 -3.793 -4.932 -8.821 1.00 0.00 H new ATOM 0 HB2 LEU B 33 -2.897 -7.719 -8.169 1.00 0.00 H new ATOM 0 HB3 LEU B 33 -4.002 -6.913 -7.074 1.00 0.00 H new ATOM 0 HG LEU B 33 -5.687 -6.740 -8.800 1.00 0.00 H new ATOM 0 HD11 LEU B 33 -5.441 -7.785 -10.987 1.00 0.00 H new ATOM 0 HD12 LEU B 33 -4.317 -6.424 -10.759 1.00 0.00 H new ATOM 0 HD13 LEU B 33 -3.724 -8.098 -10.641 1.00 0.00 H new ATOM 0 HD21 LEU B 33 -6.099 -9.176 -9.114 1.00 0.00 H new ATOM 0 HD22 LEU B 33 -4.411 -9.505 -8.656 1.00 0.00 H new ATOM 0 HD23 LEU B 33 -5.537 -8.811 -7.465 1.00 0.00 H new ATOM 1641 N PHE B 34 -1.193 -5.400 -6.909 1.00 0.00 N ATOM 1642 CA PHE B 34 -0.501 -4.916 -5.742 1.00 0.00 C ATOM 1643 C PHE B 34 -0.177 -3.443 -5.871 1.00 0.00 C ATOM 1644 O PHE B 34 -0.482 -2.674 -4.978 1.00 0.00 O ATOM 1645 CB PHE B 34 0.768 -5.737 -5.462 1.00 0.00 C ATOM 1646 CG PHE B 34 1.554 -5.247 -4.284 1.00 0.00 C ATOM 1647 CD1 PHE B 34 1.104 -5.469 -2.994 1.00 0.00 C ATOM 1648 CD2 PHE B 34 2.725 -4.535 -4.469 1.00 0.00 C ATOM 1649 CE1 PHE B 34 1.813 -5.002 -1.914 1.00 0.00 C ATOM 1650 CE2 PHE B 34 3.433 -4.063 -3.393 1.00 0.00 C ATOM 1651 CZ PHE B 34 2.975 -4.293 -2.116 1.00 0.00 C ATOM 0 H PHE B 34 -0.653 -6.051 -7.479 1.00 0.00 H new ATOM 0 HA PHE B 34 -1.169 -5.039 -4.890 1.00 0.00 H new ATOM 0 HB2 PHE B 34 0.488 -6.777 -5.294 1.00 0.00 H new ATOM 0 HB3 PHE B 34 1.405 -5.718 -6.346 1.00 0.00 H new ATOM 0 HD1 PHE B 34 0.186 -6.015 -2.835 1.00 0.00 H new ATOM 0 HD2 PHE B 34 3.085 -4.349 -5.470 1.00 0.00 H new ATOM 0 HE1 PHE B 34 1.460 -5.190 -0.911 1.00 0.00 H new ATOM 0 HE2 PHE B 34 4.349 -3.512 -3.548 1.00 0.00 H new ATOM 0 HZ PHE B 34 3.529 -3.916 -1.269 1.00 0.00 H new ATOM 1661 N SER B 35 0.389 -3.051 -7.001 1.00 0.00 N ATOM 1662 CA SER B 35 0.791 -1.674 -7.213 1.00 0.00 C ATOM 1663 C SER B 35 -0.390 -0.701 -7.101 1.00 0.00 C ATOM 1664 O SER B 35 -0.286 0.337 -6.445 1.00 0.00 O ATOM 1665 CB SER B 35 1.537 -1.529 -8.548 1.00 0.00 C ATOM 1666 OG SER B 35 0.805 -2.104 -9.617 1.00 0.00 O ATOM 0 H SER B 35 0.580 -3.672 -7.787 1.00 0.00 H new ATOM 0 HA SER B 35 1.481 -1.402 -6.414 1.00 0.00 H new ATOM 0 HB2 SER B 35 1.715 -0.474 -8.754 1.00 0.00 H new ATOM 0 HB3 SER B 35 2.513 -2.009 -8.475 1.00 0.00 H new ATOM 0 HG SER B 35 0.944 -3.074 -9.624 1.00 0.00 H new ATOM 1672 N ARG B 36 -1.522 -1.069 -7.679 1.00 0.00 N ATOM 1673 CA ARG B 36 -2.705 -0.217 -7.649 1.00 0.00 C ATOM 1674 C ARG B 36 -3.383 -0.219 -6.267 1.00 0.00 C ATOM 1675 O ARG B 36 -4.041 0.752 -5.884 1.00 0.00 O ATOM 1676 CB ARG B 36 -3.681 -0.599 -8.776 1.00 0.00 C ATOM 1677 CG ARG B 36 -4.224 -2.013 -8.699 1.00 0.00 C ATOM 1678 CD ARG B 36 -4.868 -2.441 -10.012 1.00 0.00 C ATOM 1679 NE ARG B 36 -6.017 -1.616 -10.402 1.00 0.00 N ATOM 1680 CZ ARG B 36 -6.299 -1.234 -11.661 1.00 0.00 C ATOM 1681 NH1 ARG B 36 -5.422 -1.429 -12.646 1.00 0.00 N ATOM 1682 NH2 ARG B 36 -7.447 -0.627 -11.920 1.00 0.00 N ATOM 0 H ARG B 36 -1.649 -1.951 -8.175 1.00 0.00 H new ATOM 0 HA ARG B 36 -2.381 0.808 -7.827 1.00 0.00 H new ATOM 0 HB2 ARG B 36 -4.519 0.098 -8.762 1.00 0.00 H new ATOM 0 HB3 ARG B 36 -3.176 -0.471 -9.733 1.00 0.00 H new ATOM 0 HG2 ARG B 36 -3.416 -2.700 -8.449 1.00 0.00 H new ATOM 0 HG3 ARG B 36 -4.958 -2.078 -7.895 1.00 0.00 H new ATOM 0 HD2 ARG B 36 -4.119 -2.403 -10.803 1.00 0.00 H new ATOM 0 HD3 ARG B 36 -5.189 -3.479 -9.927 1.00 0.00 H new ATOM 0 HE ARG B 36 -6.650 -1.309 -9.663 1.00 0.00 H new ATOM 0 HH11 ARG B 36 -4.525 -1.873 -12.450 1.00 0.00 H new ATOM 0 HH12 ARG B 36 -5.648 -1.135 -13.596 1.00 0.00 H new ATOM 0 HH21 ARG B 36 -8.112 -0.451 -11.167 1.00 0.00 H new ATOM 0 HH22 ARG B 36 -7.666 -0.335 -12.873 1.00 0.00 H new ATOM 1696 N ASP B 37 -3.205 -1.291 -5.508 1.00 0.00 N ATOM 1697 CA ASP B 37 -3.794 -1.362 -4.161 1.00 0.00 C ATOM 1698 C ASP B 37 -2.904 -0.593 -3.199 1.00 0.00 C ATOM 1699 O ASP B 37 -3.375 0.147 -2.331 1.00 0.00 O ATOM 1700 CB ASP B 37 -3.904 -2.807 -3.701 1.00 0.00 C ATOM 1701 CG ASP B 37 -4.946 -3.014 -2.611 1.00 0.00 C ATOM 1702 OD1 ASP B 37 -4.712 -2.681 -1.447 1.00 0.00 O ATOM 1703 OD2 ASP B 37 -6.036 -3.543 -2.926 1.00 0.00 O ATOM 0 H ASP B 37 -2.670 -2.113 -5.787 1.00 0.00 H new ATOM 0 HA ASP B 37 -4.794 -0.929 -4.183 1.00 0.00 H new ATOM 0 HB2 ASP B 37 -4.153 -3.435 -4.556 1.00 0.00 H new ATOM 0 HB3 ASP B 37 -2.933 -3.139 -3.334 1.00 0.00 H new ATOM 1708 N LEU B 38 -1.614 -0.758 -3.384 1.00 0.00 N ATOM 1709 CA LEU B 38 -0.600 -0.067 -2.609 1.00 0.00 C ATOM 1710 C LEU B 38 -0.708 1.431 -2.817 1.00 0.00 C ATOM 1711 O LEU B 38 -0.683 2.198 -1.858 1.00 0.00 O ATOM 1712 CB LEU B 38 0.794 -0.590 -3.007 1.00 0.00 C ATOM 1713 CG LEU B 38 2.019 0.166 -2.485 1.00 0.00 C ATOM 1714 CD1 LEU B 38 2.013 0.280 -0.983 1.00 0.00 C ATOM 1715 CD2 LEU B 38 3.281 -0.524 -2.940 1.00 0.00 C ATOM 0 H LEU B 38 -1.230 -1.387 -4.089 1.00 0.00 H new ATOM 0 HA LEU B 38 -0.754 -0.264 -1.548 1.00 0.00 H new ATOM 0 HB2 LEU B 38 0.871 -1.624 -2.672 1.00 0.00 H new ATOM 0 HB3 LEU B 38 0.848 -0.603 -4.096 1.00 0.00 H new ATOM 0 HG LEU B 38 1.981 1.176 -2.894 1.00 0.00 H new ATOM 0 HD11 LEU B 38 2.900 0.823 -0.656 1.00 0.00 H new ATOM 0 HD12 LEU B 38 1.120 0.816 -0.662 1.00 0.00 H new ATOM 0 HD13 LEU B 38 2.015 -0.717 -0.542 1.00 0.00 H new ATOM 0 HD21 LEU B 38 4.148 0.019 -2.565 1.00 0.00 H new ATOM 0 HD22 LEU B 38 3.297 -1.544 -2.555 1.00 0.00 H new ATOM 0 HD23 LEU B 38 3.311 -0.547 -4.029 1.00 0.00 H new ATOM 1727 N ASP B 39 -0.865 1.834 -4.065 1.00 0.00 N ATOM 1728 CA ASP B 39 -1.006 3.244 -4.424 1.00 0.00 C ATOM 1729 C ASP B 39 -2.213 3.847 -3.714 1.00 0.00 C ATOM 1730 O ASP B 39 -2.146 4.952 -3.163 1.00 0.00 O ATOM 1731 CB ASP B 39 -1.166 3.385 -5.933 1.00 0.00 C ATOM 1732 CG ASP B 39 -1.151 4.814 -6.382 1.00 0.00 C ATOM 1733 OD1 ASP B 39 -0.062 5.415 -6.407 1.00 0.00 O ATOM 1734 OD2 ASP B 39 -2.198 5.364 -6.728 1.00 0.00 O ATOM 0 H ASP B 39 -0.899 1.198 -4.862 1.00 0.00 H new ATOM 0 HA ASP B 39 -0.109 3.778 -4.111 1.00 0.00 H new ATOM 0 HB2 ASP B 39 -0.363 2.843 -6.432 1.00 0.00 H new ATOM 0 HB3 ASP B 39 -2.103 2.921 -6.240 1.00 0.00 H new ATOM 1739 N LYS B 40 -3.286 3.072 -3.677 1.00 0.00 N ATOM 1740 CA LYS B 40 -4.494 3.409 -3.039 1.00 0.00 C ATOM 1741 C LYS B 40 -4.289 3.600 -1.543 1.00 0.00 C ATOM 1742 O LYS B 40 -4.762 4.582 -0.968 1.00 0.00 O ATOM 1743 CB LYS B 40 -5.431 2.264 -3.274 1.00 0.00 C ATOM 1744 CG LYS B 40 -6.753 2.425 -2.622 1.00 0.00 C ATOM 1745 CD LYS B 40 -7.665 1.215 -2.800 1.00 0.00 C ATOM 1746 CE LYS B 40 -8.346 1.137 -4.174 1.00 0.00 C ATOM 1747 NZ LYS B 40 -7.418 0.905 -5.298 1.00 0.00 N ATOM 0 H LYS B 40 -3.312 2.153 -4.120 1.00 0.00 H new ATOM 0 HA LYS B 40 -4.886 4.345 -3.436 1.00 0.00 H new ATOM 0 HB2 LYS B 40 -5.579 2.143 -4.347 1.00 0.00 H new ATOM 0 HB3 LYS B 40 -4.967 1.347 -2.910 1.00 0.00 H new ATOM 0 HG2 LYS B 40 -6.606 2.607 -1.557 1.00 0.00 H new ATOM 0 HG3 LYS B 40 -7.247 3.307 -3.030 1.00 0.00 H new ATOM 0 HD2 LYS B 40 -7.081 0.308 -2.644 1.00 0.00 H new ATOM 0 HD3 LYS B 40 -8.433 1.236 -2.027 1.00 0.00 H new ATOM 0 HE2 LYS B 40 -9.084 0.335 -4.156 1.00 0.00 H new ATOM 0 HE3 LYS B 40 -8.888 2.066 -4.351 1.00 0.00 H new ATOM 0 HZ1 LYS B 40 -7.892 0.336 -6.028 1.00 0.00 H new ATOM 0 HZ2 LYS B 40 -7.130 1.818 -5.704 1.00 0.00 H new ATOM 0 HZ3 LYS B 40 -6.577 0.398 -4.955 1.00 0.00 H new ATOM 1761 N LEU B 41 -3.576 2.662 -0.930 1.00 0.00 N ATOM 1762 CA LEU B 41 -3.330 2.675 0.501 1.00 0.00 C ATOM 1763 C LEU B 41 -2.504 3.882 0.876 1.00 0.00 C ATOM 1764 O LEU B 41 -2.745 4.523 1.903 1.00 0.00 O ATOM 1765 CB LEU B 41 -2.619 1.391 0.941 1.00 0.00 C ATOM 1766 CG LEU B 41 -2.326 1.263 2.436 1.00 0.00 C ATOM 1767 CD1 LEU B 41 -3.606 1.332 3.243 1.00 0.00 C ATOM 1768 CD2 LEU B 41 -1.595 -0.028 2.724 1.00 0.00 C ATOM 0 H LEU B 41 -3.153 1.871 -1.415 1.00 0.00 H new ATOM 0 HA LEU B 41 -4.290 2.729 1.014 1.00 0.00 H new ATOM 0 HB2 LEU B 41 -3.228 0.540 0.637 1.00 0.00 H new ATOM 0 HB3 LEU B 41 -1.676 1.318 0.399 1.00 0.00 H new ATOM 0 HG LEU B 41 -1.689 2.098 2.729 1.00 0.00 H new ATOM 0 HD11 LEU B 41 -3.373 1.239 4.304 1.00 0.00 H new ATOM 0 HD12 LEU B 41 -4.099 2.287 3.062 1.00 0.00 H new ATOM 0 HD13 LEU B 41 -4.269 0.520 2.944 1.00 0.00 H new ATOM 0 HD21 LEU B 41 -1.395 -0.102 3.793 1.00 0.00 H new ATOM 0 HD22 LEU B 41 -2.210 -0.872 2.411 1.00 0.00 H new ATOM 0 HD23 LEU B 41 -0.653 -0.042 2.176 1.00 0.00 H new ATOM 1780 N ILE B 42 -1.568 4.207 0.030 1.00 0.00 N ATOM 1781 CA ILE B 42 -0.722 5.349 0.262 1.00 0.00 C ATOM 1782 C ILE B 42 -1.536 6.623 0.144 1.00 0.00 C ATOM 1783 O ILE B 42 -1.610 7.387 1.095 1.00 0.00 O ATOM 1784 CB ILE B 42 0.526 5.361 -0.664 1.00 0.00 C ATOM 1785 CG1 ILE B 42 1.412 4.154 -0.337 1.00 0.00 C ATOM 1786 CG2 ILE B 42 1.314 6.656 -0.508 1.00 0.00 C ATOM 1787 CD1 ILE B 42 2.664 4.051 -1.169 1.00 0.00 C ATOM 0 H ILE B 42 -1.369 3.697 -0.831 1.00 0.00 H new ATOM 0 HA ILE B 42 -0.331 5.282 1.277 1.00 0.00 H new ATOM 0 HB ILE B 42 0.194 5.299 -1.700 1.00 0.00 H new ATOM 0 HG12 ILE B 42 1.693 4.201 0.715 1.00 0.00 H new ATOM 0 HG13 ILE B 42 0.827 3.244 -0.470 1.00 0.00 H new ATOM 0 HG21 ILE B 42 2.181 6.636 -1.168 1.00 0.00 H new ATOM 0 HG22 ILE B 42 0.679 7.502 -0.769 1.00 0.00 H new ATOM 0 HG23 ILE B 42 1.646 6.757 0.525 1.00 0.00 H new ATOM 0 HD11 ILE B 42 3.229 3.168 -0.869 1.00 0.00 H new ATOM 0 HD12 ILE B 42 2.395 3.969 -2.222 1.00 0.00 H new ATOM 0 HD13 ILE B 42 3.275 4.941 -1.019 1.00 0.00 H new ATOM 1799 N ASN B 43 -2.216 6.801 -0.988 1.00 0.00 N ATOM 1800 CA ASN B 43 -3.086 7.976 -1.228 1.00 0.00 C ATOM 1801 C ASN B 43 -4.120 8.141 -0.127 1.00 0.00 C ATOM 1802 O ASN B 43 -4.478 9.259 0.220 1.00 0.00 O ATOM 1803 CB ASN B 43 -3.805 7.899 -2.584 1.00 0.00 C ATOM 1804 CG ASN B 43 -2.895 8.105 -3.779 1.00 0.00 C ATOM 1805 OD1 ASN B 43 -1.913 8.856 -3.718 1.00 0.00 O ATOM 1806 ND2 ASN B 43 -3.206 7.446 -4.866 1.00 0.00 N ATOM 0 H ASN B 43 -2.187 6.144 -1.768 1.00 0.00 H new ATOM 0 HA ASN B 43 -2.424 8.842 -1.233 1.00 0.00 H new ATOM 0 HB2 ASN B 43 -4.288 6.926 -2.672 1.00 0.00 H new ATOM 0 HB3 ASN B 43 -4.594 8.650 -2.608 1.00 0.00 H new ATOM 0 HD21 ASN B 43 -2.631 7.542 -5.703 1.00 0.00 H new ATOM 0 HD22 ASN B 43 -4.024 6.836 -4.876 1.00 0.00 H new ATOM 1813 N LYS B 44 -4.570 7.018 0.425 1.00 0.00 N ATOM 1814 CA LYS B 44 -5.517 6.991 1.535 1.00 0.00 C ATOM 1815 C LYS B 44 -4.926 7.736 2.725 1.00 0.00 C ATOM 1816 O LYS B 44 -5.499 8.709 3.215 1.00 0.00 O ATOM 1817 CB LYS B 44 -5.800 5.534 1.943 1.00 0.00 C ATOM 1818 CG LYS B 44 -6.813 5.363 3.072 1.00 0.00 C ATOM 1819 CD LYS B 44 -6.878 3.913 3.568 1.00 0.00 C ATOM 1820 CE LYS B 44 -7.271 2.927 2.469 1.00 0.00 C ATOM 1821 NZ LYS B 44 -7.344 1.533 2.981 1.00 0.00 N ATOM 0 H LYS B 44 -4.284 6.091 0.111 1.00 0.00 H new ATOM 0 HA LYS B 44 -6.446 7.469 1.224 1.00 0.00 H new ATOM 0 HB2 LYS B 44 -6.159 4.991 1.068 1.00 0.00 H new ATOM 0 HB3 LYS B 44 -4.862 5.068 2.244 1.00 0.00 H new ATOM 0 HG2 LYS B 44 -6.547 6.019 3.901 1.00 0.00 H new ATOM 0 HG3 LYS B 44 -7.799 5.672 2.725 1.00 0.00 H new ATOM 0 HD2 LYS B 44 -5.907 3.629 3.974 1.00 0.00 H new ATOM 0 HD3 LYS B 44 -7.597 3.845 4.384 1.00 0.00 H new ATOM 0 HE2 LYS B 44 -8.237 3.213 2.052 1.00 0.00 H new ATOM 0 HE3 LYS B 44 -6.546 2.979 1.657 1.00 0.00 H new ATOM 0 HZ1 LYS B 44 -7.613 0.893 2.207 1.00 0.00 H new ATOM 0 HZ2 LYS B 44 -6.416 1.252 3.356 1.00 0.00 H new ATOM 0 HZ3 LYS B 44 -8.054 1.478 3.739 1.00 0.00 H new ATOM 1835 N PHE B 45 -3.750 7.315 3.136 1.00 0.00 N ATOM 1836 CA PHE B 45 -3.094 7.897 4.285 1.00 0.00 C ATOM 1837 C PHE B 45 -2.495 9.254 4.005 1.00 0.00 C ATOM 1838 O PHE B 45 -2.411 10.086 4.901 1.00 0.00 O ATOM 1839 CB PHE B 45 -2.098 6.934 4.915 1.00 0.00 C ATOM 1840 CG PHE B 45 -2.773 5.930 5.801 1.00 0.00 C ATOM 1841 CD1 PHE B 45 -3.342 4.778 5.281 1.00 0.00 C ATOM 1842 CD2 PHE B 45 -2.864 6.160 7.163 1.00 0.00 C ATOM 1843 CE1 PHE B 45 -3.981 3.875 6.104 1.00 0.00 C ATOM 1844 CE2 PHE B 45 -3.504 5.264 7.989 1.00 0.00 C ATOM 1845 CZ PHE B 45 -4.063 4.117 7.460 1.00 0.00 C ATOM 0 H PHE B 45 -3.225 6.565 2.686 1.00 0.00 H new ATOM 0 HA PHE B 45 -3.874 8.075 5.025 1.00 0.00 H new ATOM 0 HB2 PHE B 45 -1.550 6.414 4.130 1.00 0.00 H new ATOM 0 HB3 PHE B 45 -1.367 7.497 5.495 1.00 0.00 H new ATOM 0 HD1 PHE B 45 -3.284 4.586 4.220 1.00 0.00 H new ATOM 0 HD2 PHE B 45 -2.427 7.054 7.583 1.00 0.00 H new ATOM 0 HE1 PHE B 45 -4.417 2.979 5.688 1.00 0.00 H new ATOM 0 HE2 PHE B 45 -3.569 5.458 9.050 1.00 0.00 H new ATOM 0 HZ PHE B 45 -4.563 3.411 8.106 1.00 0.00 H new ATOM 1855 N MET B 46 -2.120 9.504 2.766 1.00 0.00 N ATOM 1856 CA MET B 46 -1.614 10.819 2.404 1.00 0.00 C ATOM 1857 C MET B 46 -2.794 11.798 2.379 1.00 0.00 C ATOM 1858 O MET B 46 -2.632 13.006 2.539 1.00 0.00 O ATOM 1859 CB MET B 46 -0.959 10.823 1.017 1.00 0.00 C ATOM 1860 CG MET B 46 0.111 9.773 0.822 1.00 0.00 C ATOM 1861 SD MET B 46 1.309 10.218 -0.426 1.00 0.00 S ATOM 1862 CE MET B 46 2.150 11.529 0.444 1.00 0.00 C ATOM 0 H MET B 46 -2.154 8.829 2.002 1.00 0.00 H new ATOM 0 HA MET B 46 -0.860 11.106 3.137 1.00 0.00 H new ATOM 0 HB2 MET B 46 -1.733 10.678 0.264 1.00 0.00 H new ATOM 0 HB3 MET B 46 -0.522 11.806 0.839 1.00 0.00 H new ATOM 0 HG2 MET B 46 0.626 9.607 1.768 1.00 0.00 H new ATOM 0 HG3 MET B 46 -0.360 8.830 0.545 1.00 0.00 H new ATOM 0 HE1 MET B 46 3.092 11.753 -0.057 1.00 0.00 H new ATOM 0 HE2 MET B 46 1.523 12.420 0.453 1.00 0.00 H new ATOM 0 HE3 MET B 46 2.350 11.216 1.469 1.00 0.00 H new