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= -0.112 X(o=-1.8,f=-2.1) USER MOD Set 1.2: B 46 MET CE :methyl -173:sc= -1.7 (180deg=-1.9) USER MOD Set 2.1: A 46 MET CE :methyl 149:sc= -0.889 (180deg=-1.68) USER MOD Set 2.2: B 24 HIS : no HD1:sc= -0.0992 X(o=-0.99,f=-1) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 LYS NZ :NH3+ -163:sc= -0.0497 (180deg=-0.308) USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 9 LYS NZ :NH3+ 162:sc= -0.0541 (180deg=-0.336) USER MOD Single : A 12 ASN : amide:sc= 0.878 K(o=0.88,f=-0.16) USER MOD Single : A 13 LYS NZ :NH3+ -176:sc= 1.16 (180deg=1.11) USER MOD Single : A 14 LYS NZ :NH3+ 170:sc= 1.17 (180deg=0.701) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= -0.437 K(o=-0.44,f=-3!) 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 -83:sc= 1.22 USER MOD Single : A 40 LYS NZ :NH3+ -171:sc= 0.576 (180deg=0.535) USER MOD Single : A 43 ASN : amide:sc= 1.26 K(o=1.3,f=-0.042) USER MOD Single : A 44 LYS NZ :NH3+ -153:sc= 0 (180deg=-0.717) USER MOD Single : B 7 LYS NZ :NH3+ -177:sc= 1.23 (180deg=1.08) USER MOD Single : B 8 ASN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : B 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 12 ASN : amide:sc= -0.0154 X(o=-0.015,f=0) USER MOD Single : B 13 LYS NZ :NH3+ -168:sc= 2.49 (180deg=2.37) USER MOD Single : B 14 LYS NZ :NH3+ 179:sc= 1.37 (180deg=1.31) USER MOD Single : B 15 LYS NZ :NH3+ 167:sc= -0.037 (180deg=-0.247) USER MOD Single : B 19 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : B 28 HIS : no HD1:sc= -0.0613 X(o=-0.061,f=0) USER MOD Single : B 30 LYS NZ :NH3+ -111:sc= 0.572 (180deg=-0.364) USER MOD Single : B 35 SER OG : rot -104:sc= 1.25 USER MOD Single : B 40 LYS NZ :NH3+ -176:sc= 1.28 (180deg=1.13) USER MOD Single : B 43 ASN : amide:sc= 0.068 K(o=0.068,f=-0.59) USER MOD Single : B 44 LYS NZ :NH3+ -169:sc= -0.0109 (180deg=-0.134) USER MOD ----------------------------------------------------------------- ATOM 59 N GLN A 5 16.389 -13.410 3.406 1.00 0.00 N ATOM 60 CA GLN A 5 17.100 -12.235 2.927 1.00 0.00 C ATOM 61 C GLN A 5 16.227 -11.413 1.975 1.00 0.00 C ATOM 62 O GLN A 5 16.261 -10.183 1.984 1.00 0.00 O ATOM 63 CB GLN A 5 18.416 -12.627 2.255 1.00 0.00 C ATOM 64 CG GLN A 5 18.294 -13.501 1.022 1.00 0.00 C ATOM 65 CD GLN A 5 19.633 -13.723 0.357 1.00 0.00 C ATOM 66 OE1 GLN A 5 20.039 -12.957 -0.516 1.00 0.00 O ATOM 67 NE2 GLN A 5 20.329 -14.738 0.758 1.00 0.00 N ATOM 0 HA GLN A 5 17.334 -11.613 3.791 1.00 0.00 H new ATOM 0 HB2 GLN A 5 18.947 -11.716 1.980 1.00 0.00 H new ATOM 0 HB3 GLN A 5 19.034 -13.148 2.986 1.00 0.00 H new ATOM 0 HG2 GLN A 5 17.862 -14.463 1.299 1.00 0.00 H new ATOM 0 HG3 GLN A 5 17.609 -13.036 0.313 1.00 0.00 H new ATOM 0 HE21 GLN A 5 19.962 -15.353 1.484 1.00 0.00 H new ATOM 0 HE22 GLN A 5 21.244 -14.923 0.348 1.00 0.00 H new ATOM 76 N LEU A 6 15.415 -12.106 1.208 1.00 0.00 N ATOM 77 CA LEU A 6 14.531 -11.493 0.233 1.00 0.00 C ATOM 78 C LEU A 6 13.448 -10.691 0.966 1.00 0.00 C ATOM 79 O LEU A 6 13.158 -9.543 0.622 1.00 0.00 O ATOM 80 CB LEU A 6 13.950 -12.618 -0.677 1.00 0.00 C ATOM 81 CG LEU A 6 13.038 -12.241 -1.876 1.00 0.00 C ATOM 82 CD1 LEU A 6 11.640 -11.861 -1.437 1.00 0.00 C ATOM 83 CD2 LEU A 6 13.661 -11.127 -2.704 1.00 0.00 C ATOM 0 H LEU A 6 15.347 -13.123 1.242 1.00 0.00 H new ATOM 0 HA LEU A 6 15.063 -10.790 -0.408 1.00 0.00 H new ATOM 0 HB2 LEU A 6 14.793 -13.184 -1.074 1.00 0.00 H new ATOM 0 HB3 LEU A 6 13.384 -13.295 -0.037 1.00 0.00 H new ATOM 0 HG LEU A 6 12.950 -13.131 -2.499 1.00 0.00 H new ATOM 0 HD11 LEU A 6 11.041 -11.606 -2.311 1.00 0.00 H new ATOM 0 HD12 LEU A 6 11.181 -12.701 -0.915 1.00 0.00 H new ATOM 0 HD13 LEU A 6 11.690 -11.002 -0.768 1.00 0.00 H new ATOM 0 HD21 LEU A 6 13.003 -10.881 -3.537 1.00 0.00 H new ATOM 0 HD22 LEU A 6 13.801 -10.244 -2.080 1.00 0.00 H new ATOM 0 HD23 LEU A 6 14.626 -11.456 -3.089 1.00 0.00 H new ATOM 95 N LYS A 7 12.896 -11.290 1.995 1.00 0.00 N ATOM 96 CA LYS A 7 11.882 -10.661 2.811 1.00 0.00 C ATOM 97 C LYS A 7 12.454 -9.495 3.586 1.00 0.00 C ATOM 98 O LYS A 7 11.752 -8.532 3.861 1.00 0.00 O ATOM 99 CB LYS A 7 11.240 -11.677 3.750 1.00 0.00 C ATOM 100 CG LYS A 7 9.756 -11.897 3.488 1.00 0.00 C ATOM 101 CD LYS A 7 8.922 -10.663 3.822 1.00 0.00 C ATOM 102 CE LYS A 7 8.939 -10.359 5.307 1.00 0.00 C ATOM 103 NZ LYS A 7 8.408 -11.475 6.110 1.00 0.00 N ATOM 0 H LYS A 7 13.139 -12.235 2.292 1.00 0.00 H new ATOM 0 HA LYS A 7 11.108 -10.273 2.149 1.00 0.00 H new ATOM 0 HB2 LYS A 7 11.762 -12.629 3.654 1.00 0.00 H new ATOM 0 HB3 LYS A 7 11.373 -11.343 4.779 1.00 0.00 H new ATOM 0 HG2 LYS A 7 9.609 -12.160 2.441 1.00 0.00 H new ATOM 0 HG3 LYS A 7 9.405 -12.742 4.081 1.00 0.00 H new ATOM 0 HD2 LYS A 7 9.306 -9.805 3.271 1.00 0.00 H new ATOM 0 HD3 LYS A 7 7.894 -10.819 3.494 1.00 0.00 H new ATOM 0 HE2 LYS A 7 9.960 -10.142 5.620 1.00 0.00 H new ATOM 0 HE3 LYS A 7 8.350 -9.463 5.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 8.169 -11.134 7.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 7.554 -11.856 5.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 9.126 -12.224 6.181 1.00 0.00 H new ATOM 117 N ASN A 8 13.729 -9.581 3.922 1.00 0.00 N ATOM 118 CA ASN A 8 14.419 -8.495 4.613 1.00 0.00 C ATOM 119 C ASN A 8 14.454 -7.263 3.713 1.00 0.00 C ATOM 120 O ASN A 8 14.212 -6.147 4.167 1.00 0.00 O ATOM 121 CB ASN A 8 15.845 -8.913 4.993 1.00 0.00 C ATOM 122 CG ASN A 8 16.617 -7.831 5.745 1.00 0.00 C ATOM 123 OD1 ASN A 8 16.046 -7.036 6.504 1.00 0.00 O ATOM 124 ND2 ASN A 8 17.904 -7.771 5.525 1.00 0.00 N ATOM 0 H ASN A 8 14.314 -10.394 3.728 1.00 0.00 H new ATOM 0 HA ASN A 8 13.879 -8.260 5.530 1.00 0.00 H new ATOM 0 HB2 ASN A 8 15.800 -9.811 5.609 1.00 0.00 H new ATOM 0 HB3 ASN A 8 16.392 -9.175 4.087 1.00 0.00 H new ATOM 0 HD21 ASN A 8 18.467 -7.055 5.984 1.00 0.00 H new ATOM 0 HD22 ASN A 8 18.345 -8.440 4.894 1.00 0.00 H new ATOM 131 N LYS A 9 14.720 -7.490 2.420 1.00 0.00 N ATOM 132 CA LYS A 9 14.716 -6.418 1.423 1.00 0.00 C ATOM 133 C LYS A 9 13.332 -5.787 1.350 1.00 0.00 C ATOM 134 O LYS A 9 13.199 -4.559 1.342 1.00 0.00 O ATOM 135 CB LYS A 9 15.088 -6.951 0.031 1.00 0.00 C ATOM 136 CG LYS A 9 16.500 -7.489 -0.131 1.00 0.00 C ATOM 137 CD LYS A 9 17.539 -6.395 0.042 1.00 0.00 C ATOM 138 CE LYS A 9 18.928 -6.872 -0.360 1.00 0.00 C ATOM 139 NZ LYS A 9 19.010 -7.215 -1.805 1.00 0.00 N ATOM 0 H LYS A 9 14.941 -8.411 2.042 1.00 0.00 H new ATOM 0 HA LYS A 9 15.456 -5.677 1.727 1.00 0.00 H new ATOM 0 HB2 LYS A 9 14.388 -7.745 -0.229 1.00 0.00 H new ATOM 0 HB3 LYS A 9 14.943 -6.148 -0.692 1.00 0.00 H new ATOM 0 HG2 LYS A 9 16.676 -8.277 0.601 1.00 0.00 H new ATOM 0 HG3 LYS A 9 16.607 -7.940 -1.117 1.00 0.00 H new ATOM 0 HD2 LYS A 9 17.262 -5.531 -0.561 1.00 0.00 H new ATOM 0 HD3 LYS A 9 17.553 -6.067 1.081 1.00 0.00 H new ATOM 0 HE2 LYS A 9 19.657 -6.095 -0.131 1.00 0.00 H new ATOM 0 HE3 LYS A 9 19.196 -7.745 0.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 20.007 -7.237 -2.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 18.580 -8.149 -1.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 18.500 -6.499 -2.361 1.00 0.00 H new ATOM 153 N ILE A 10 12.315 -6.644 1.302 1.00 0.00 N ATOM 154 CA ILE A 10 10.919 -6.229 1.259 1.00 0.00 C ATOM 155 C ILE A 10 10.576 -5.379 2.473 1.00 0.00 C ATOM 156 O ILE A 10 10.100 -4.251 2.324 1.00 0.00 O ATOM 157 CB ILE A 10 9.973 -7.463 1.181 1.00 0.00 C ATOM 158 CG1 ILE A 10 10.235 -8.215 -0.125 1.00 0.00 C ATOM 159 CG2 ILE A 10 8.500 -7.052 1.288 1.00 0.00 C ATOM 160 CD1 ILE A 10 9.412 -9.453 -0.315 1.00 0.00 C ATOM 0 H ILE A 10 12.440 -7.656 1.292 1.00 0.00 H new ATOM 0 HA ILE A 10 10.775 -5.629 0.360 1.00 0.00 H new ATOM 0 HB ILE A 10 10.183 -8.118 2.026 1.00 0.00 H new ATOM 0 HG12 ILE A 10 10.048 -7.540 -0.960 1.00 0.00 H new ATOM 0 HG13 ILE A 10 11.290 -8.487 -0.165 1.00 0.00 H new ATOM 0 HG21 ILE A 10 7.870 -7.939 1.230 1.00 0.00 H new ATOM 0 HG22 ILE A 10 8.331 -6.549 2.240 1.00 0.00 H new ATOM 0 HG23 ILE A 10 8.251 -6.375 0.471 1.00 0.00 H new ATOM 0 HD11 ILE A 10 9.667 -9.917 -1.268 1.00 0.00 H new ATOM 0 HD12 ILE A 10 9.615 -10.153 0.496 1.00 0.00 H new ATOM 0 HD13 ILE A 10 8.354 -9.191 -0.311 1.00 0.00 H new ATOM 172 N GLU A 11 10.860 -5.910 3.668 1.00 0.00 N ATOM 173 CA GLU A 11 10.593 -5.206 4.918 1.00 0.00 C ATOM 174 C GLU A 11 11.273 -3.866 4.935 1.00 0.00 C ATOM 175 O GLU A 11 10.628 -2.848 5.121 1.00 0.00 O ATOM 176 CB GLU A 11 11.080 -6.016 6.120 1.00 0.00 C ATOM 177 CG GLU A 11 10.270 -7.251 6.409 1.00 0.00 C ATOM 178 CD GLU A 11 8.840 -6.911 6.703 1.00 0.00 C ATOM 179 OE1 GLU A 11 8.578 -6.195 7.691 1.00 0.00 O ATOM 180 OE2 GLU A 11 7.951 -7.306 5.938 1.00 0.00 O ATOM 0 H GLU A 11 11.278 -6.832 3.791 1.00 0.00 H new ATOM 0 HA GLU A 11 9.514 -5.070 4.985 1.00 0.00 H new ATOM 0 HB2 GLU A 11 12.116 -6.308 5.950 1.00 0.00 H new ATOM 0 HB3 GLU A 11 11.070 -5.376 7.002 1.00 0.00 H new ATOM 0 HG2 GLU A 11 10.317 -7.927 5.555 1.00 0.00 H new ATOM 0 HG3 GLU A 11 10.702 -7.781 7.258 1.00 0.00 H new ATOM 187 N ASN A 12 12.555 -3.881 4.687 1.00 0.00 N ATOM 188 CA ASN A 12 13.373 -2.689 4.665 1.00 0.00 C ATOM 189 C ASN A 12 12.866 -1.644 3.676 1.00 0.00 C ATOM 190 O ASN A 12 12.689 -0.491 4.044 1.00 0.00 O ATOM 191 CB ASN A 12 14.836 -3.040 4.362 1.00 0.00 C ATOM 192 CG ASN A 12 15.685 -1.810 4.141 1.00 0.00 C ATOM 193 OD1 ASN A 12 16.253 -1.245 5.073 1.00 0.00 O ATOM 194 ND2 ASN A 12 15.823 -1.419 2.908 1.00 0.00 N ATOM 0 H ASN A 12 13.074 -4.737 4.490 1.00 0.00 H new ATOM 0 HA ASN A 12 13.307 -2.248 5.660 1.00 0.00 H new ATOM 0 HB2 ASN A 12 15.247 -3.619 5.189 1.00 0.00 H new ATOM 0 HB3 ASN A 12 14.880 -3.673 3.476 1.00 0.00 H new ATOM 0 HD21 ASN A 12 16.418 -0.620 2.690 1.00 0.00 H new ATOM 0 HD22 ASN A 12 15.336 -1.912 2.159 1.00 0.00 H new ATOM 201 N LYS A 13 12.601 -2.046 2.435 1.00 0.00 N ATOM 202 CA LYS A 13 12.216 -1.089 1.419 1.00 0.00 C ATOM 203 C LYS A 13 10.821 -0.514 1.725 1.00 0.00 C ATOM 204 O LYS A 13 10.559 0.668 1.489 1.00 0.00 O ATOM 205 CB LYS A 13 12.286 -1.724 0.029 1.00 0.00 C ATOM 206 CG LYS A 13 12.383 -0.717 -1.112 1.00 0.00 C ATOM 207 CD LYS A 13 13.657 0.140 -1.013 1.00 0.00 C ATOM 208 CE LYS A 13 14.950 -0.655 -1.205 1.00 0.00 C ATOM 209 NZ LYS A 13 15.164 -1.076 -2.612 1.00 0.00 N ATOM 0 H LYS A 13 12.647 -3.015 2.119 1.00 0.00 H new ATOM 0 HA LYS A 13 12.920 -0.257 1.429 1.00 0.00 H new ATOM 0 HB2 LYS A 13 13.150 -2.388 -0.012 1.00 0.00 H new ATOM 0 HB3 LYS A 13 11.401 -2.343 -0.121 1.00 0.00 H new ATOM 0 HG2 LYS A 13 12.374 -1.246 -2.065 1.00 0.00 H new ATOM 0 HG3 LYS A 13 11.507 -0.068 -1.099 1.00 0.00 H new ATOM 0 HD2 LYS A 13 13.612 0.930 -1.763 1.00 0.00 H new ATOM 0 HD3 LYS A 13 13.682 0.627 -0.038 1.00 0.00 H new ATOM 0 HE2 LYS A 13 15.795 -0.049 -0.880 1.00 0.00 H new ATOM 0 HE3 LYS A 13 14.926 -1.538 -0.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 16.018 -1.667 -2.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 14.341 -1.621 -2.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 15.283 -0.235 -3.212 1.00 0.00 H new ATOM 223 N LYS A 14 9.960 -1.362 2.280 1.00 0.00 N ATOM 224 CA LYS A 14 8.633 -0.979 2.763 1.00 0.00 C ATOM 225 C LYS A 14 8.782 0.089 3.846 1.00 0.00 C ATOM 226 O LYS A 14 8.140 1.123 3.817 1.00 0.00 O ATOM 227 CB LYS A 14 7.966 -2.221 3.383 1.00 0.00 C ATOM 228 CG LYS A 14 6.604 -1.990 4.027 1.00 0.00 C ATOM 229 CD LYS A 14 6.111 -3.242 4.757 1.00 0.00 C ATOM 230 CE LYS A 14 6.929 -3.545 5.999 1.00 0.00 C ATOM 231 NZ LYS A 14 6.527 -4.821 6.634 1.00 0.00 N ATOM 0 H LYS A 14 10.167 -2.352 2.410 1.00 0.00 H new ATOM 0 HA LYS A 14 8.032 -0.590 1.941 1.00 0.00 H new ATOM 0 HB2 LYS A 14 7.856 -2.977 2.606 1.00 0.00 H new ATOM 0 HB3 LYS A 14 8.638 -2.633 4.136 1.00 0.00 H new ATOM 0 HG2 LYS A 14 6.668 -1.159 4.730 1.00 0.00 H new ATOM 0 HG3 LYS A 14 5.882 -1.705 3.262 1.00 0.00 H new ATOM 0 HD2 LYS A 14 5.066 -3.109 5.037 1.00 0.00 H new ATOM 0 HD3 LYS A 14 6.154 -4.095 4.080 1.00 0.00 H new ATOM 0 HE2 LYS A 14 7.986 -3.589 5.735 1.00 0.00 H new ATOM 0 HE3 LYS A 14 6.814 -2.732 6.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 7.215 -5.073 7.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 5.585 -4.715 7.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 6.499 -5.573 5.916 1.00 0.00 H new ATOM 245 N LYS A 15 9.659 -0.190 4.775 1.00 0.00 N ATOM 246 CA LYS A 15 9.931 0.667 5.921 1.00 0.00 C ATOM 247 C LYS A 15 10.555 1.988 5.515 1.00 0.00 C ATOM 248 O LYS A 15 10.167 3.039 6.043 1.00 0.00 O ATOM 249 CB LYS A 15 10.757 -0.092 6.956 1.00 0.00 C ATOM 250 CG LYS A 15 9.949 -1.202 7.616 1.00 0.00 C ATOM 251 CD LYS A 15 10.815 -2.219 8.338 1.00 0.00 C ATOM 252 CE LYS A 15 9.944 -3.228 9.071 1.00 0.00 C ATOM 253 NZ LYS A 15 10.717 -4.211 9.849 1.00 0.00 N ATOM 0 H LYS A 15 10.223 -1.040 4.764 1.00 0.00 H new ATOM 0 HA LYS A 15 8.982 0.933 6.387 1.00 0.00 H new ATOM 0 HB2 LYS A 15 11.638 -0.519 6.477 1.00 0.00 H new ATOM 0 HB3 LYS A 15 11.113 0.602 7.718 1.00 0.00 H new ATOM 0 HG2 LYS A 15 9.248 -0.761 8.325 1.00 0.00 H new ATOM 0 HG3 LYS A 15 9.356 -1.712 6.857 1.00 0.00 H new ATOM 0 HD2 LYS A 15 11.456 -2.734 7.623 1.00 0.00 H new ATOM 0 HD3 LYS A 15 11.470 -1.712 9.046 1.00 0.00 H new ATOM 0 HE2 LYS A 15 9.269 -2.695 9.741 1.00 0.00 H new ATOM 0 HE3 LYS A 15 9.324 -3.756 8.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 10.065 -4.868 10.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 11.343 -4.744 9.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 11.290 -3.716 10.562 1.00 0.00 H new ATOM 267 N GLU A 16 11.491 1.942 4.567 1.00 0.00 N ATOM 268 CA GLU A 16 12.072 3.159 3.999 1.00 0.00 C ATOM 269 C GLU A 16 10.965 4.037 3.402 1.00 0.00 C ATOM 270 O GLU A 16 10.983 5.264 3.537 1.00 0.00 O ATOM 271 CB GLU A 16 13.129 2.849 2.919 1.00 0.00 C ATOM 272 CG GLU A 16 14.447 2.260 3.421 1.00 0.00 C ATOM 273 CD GLU A 16 15.473 2.098 2.304 1.00 0.00 C ATOM 274 OE1 GLU A 16 15.499 2.931 1.364 1.00 0.00 O ATOM 275 OE2 GLU A 16 16.279 1.155 2.332 1.00 0.00 O ATOM 0 H GLU A 16 11.863 1.076 4.176 1.00 0.00 H new ATOM 0 HA GLU A 16 12.573 3.690 4.808 1.00 0.00 H new ATOM 0 HB2 GLU A 16 12.693 2.154 2.201 1.00 0.00 H new ATOM 0 HB3 GLU A 16 13.348 3.770 2.378 1.00 0.00 H new ATOM 0 HG2 GLU A 16 14.858 2.905 4.198 1.00 0.00 H new ATOM 0 HG3 GLU A 16 14.257 1.290 3.880 1.00 0.00 H new ATOM 282 N LEU A 17 9.985 3.387 2.782 1.00 0.00 N ATOM 283 CA LEU A 17 8.849 4.079 2.199 1.00 0.00 C ATOM 284 C LEU A 17 8.000 4.691 3.274 1.00 0.00 C ATOM 285 O LEU A 17 7.613 5.843 3.167 1.00 0.00 O ATOM 286 CB LEU A 17 7.979 3.138 1.388 1.00 0.00 C ATOM 287 CG LEU A 17 6.673 3.741 0.905 1.00 0.00 C ATOM 288 CD1 LEU A 17 6.833 4.637 -0.264 1.00 0.00 C ATOM 289 CD2 LEU A 17 5.618 2.717 0.737 1.00 0.00 C ATOM 0 H LEU A 17 9.959 2.373 2.672 1.00 0.00 H new ATOM 0 HA LEU A 17 9.250 4.853 1.544 1.00 0.00 H new ATOM 0 HB2 LEU A 17 8.547 2.794 0.523 1.00 0.00 H new ATOM 0 HB3 LEU A 17 7.756 2.259 1.993 1.00 0.00 H new ATOM 0 HG LEU A 17 6.325 4.400 1.700 1.00 0.00 H new ATOM 0 HD11 LEU A 17 5.860 5.032 -0.555 1.00 0.00 H new ATOM 0 HD12 LEU A 17 7.496 5.462 -0.002 1.00 0.00 H new ATOM 0 HD13 LEU A 17 7.261 4.077 -1.096 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.701 3.193 0.390 1.00 0.00 H new ATOM 0 HD22 LEU A 17 5.942 1.977 0.005 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.433 2.225 1.692 1.00 0.00 H new ATOM 301 N ILE A 18 7.705 3.907 4.303 1.00 0.00 N ATOM 302 CA ILE A 18 6.874 4.353 5.411 1.00 0.00 C ATOM 303 C ILE A 18 7.444 5.617 6.015 1.00 0.00 C ATOM 304 O ILE A 18 6.713 6.541 6.279 1.00 0.00 O ATOM 305 CB ILE A 18 6.719 3.263 6.509 1.00 0.00 C ATOM 306 CG1 ILE A 18 6.061 2.016 5.921 1.00 0.00 C ATOM 307 CG2 ILE A 18 5.889 3.791 7.702 1.00 0.00 C ATOM 308 CD1 ILE A 18 6.119 0.810 6.821 1.00 0.00 C ATOM 0 H ILE A 18 8.035 2.946 4.392 1.00 0.00 H new ATOM 0 HA ILE A 18 5.881 4.554 5.008 1.00 0.00 H new ATOM 0 HB ILE A 18 7.713 3.004 6.875 1.00 0.00 H new ATOM 0 HG12 ILE A 18 5.018 2.240 5.697 1.00 0.00 H new ATOM 0 HG13 ILE A 18 6.545 1.774 4.975 1.00 0.00 H new ATOM 0 HG21 ILE A 18 5.796 3.009 8.455 1.00 0.00 H new ATOM 0 HG22 ILE A 18 6.388 4.657 8.138 1.00 0.00 H new ATOM 0 HG23 ILE A 18 4.897 4.081 7.355 1.00 0.00 H new ATOM 0 HD11 ILE A 18 5.631 -0.033 6.332 1.00 0.00 H new ATOM 0 HD12 ILE A 18 7.160 0.558 7.025 1.00 0.00 H new ATOM 0 HD13 ILE A 18 5.609 1.031 7.758 1.00 0.00 H new ATOM 320 N GLN A 19 8.758 5.649 6.183 1.00 0.00 N ATOM 321 CA GLN A 19 9.455 6.826 6.692 1.00 0.00 C ATOM 322 C GLN A 19 9.185 8.044 5.809 1.00 0.00 C ATOM 323 O GLN A 19 8.912 9.136 6.305 1.00 0.00 O ATOM 324 CB GLN A 19 10.954 6.563 6.762 1.00 0.00 C ATOM 325 CG GLN A 19 11.340 5.468 7.733 1.00 0.00 C ATOM 326 CD GLN A 19 12.817 5.161 7.711 1.00 0.00 C ATOM 327 OE1 GLN A 19 13.276 4.313 6.962 1.00 0.00 O ATOM 328 NE2 GLN A 19 13.574 5.841 8.529 1.00 0.00 N ATOM 0 H GLN A 19 9.372 4.862 5.971 1.00 0.00 H new ATOM 0 HA GLN A 19 9.080 7.033 7.694 1.00 0.00 H new ATOM 0 HB2 GLN A 19 11.313 6.297 5.768 1.00 0.00 H new ATOM 0 HB3 GLN A 19 11.462 7.484 7.048 1.00 0.00 H new ATOM 0 HG2 GLN A 19 11.050 5.764 8.741 1.00 0.00 H new ATOM 0 HG3 GLN A 19 10.782 4.563 7.494 1.00 0.00 H new ATOM 0 HE21 GLN A 19 13.160 6.543 9.142 1.00 0.00 H new ATOM 0 HE22 GLN A 19 14.579 5.670 8.555 1.00 0.00 H new ATOM 337 N LEU A 20 9.221 7.831 4.509 1.00 0.00 N ATOM 338 CA LEU A 20 8.988 8.889 3.544 1.00 0.00 C ATOM 339 C LEU A 20 7.529 9.349 3.573 1.00 0.00 C ATOM 340 O LEU A 20 7.262 10.551 3.628 1.00 0.00 O ATOM 341 CB LEU A 20 9.399 8.446 2.136 1.00 0.00 C ATOM 342 CG LEU A 20 10.876 8.071 1.949 1.00 0.00 C ATOM 343 CD1 LEU A 20 11.124 7.588 0.539 1.00 0.00 C ATOM 344 CD2 LEU A 20 11.783 9.251 2.268 1.00 0.00 C ATOM 0 H LEU A 20 9.412 6.921 4.091 1.00 0.00 H new ATOM 0 HA LEU A 20 9.610 9.740 3.822 1.00 0.00 H new ATOM 0 HB2 LEU A 20 8.789 7.587 1.855 1.00 0.00 H new ATOM 0 HB3 LEU A 20 9.158 9.249 1.440 1.00 0.00 H new ATOM 0 HG LEU A 20 11.109 7.264 2.643 1.00 0.00 H new ATOM 0 HD11 LEU A 20 12.176 7.326 0.424 1.00 0.00 H new ATOM 0 HD12 LEU A 20 10.508 6.711 0.341 1.00 0.00 H new ATOM 0 HD13 LEU A 20 10.867 8.378 -0.167 1.00 0.00 H new ATOM 0 HD21 LEU A 20 12.824 8.958 2.128 1.00 0.00 H new ATOM 0 HD22 LEU A 20 11.547 10.082 1.603 1.00 0.00 H new ATOM 0 HD23 LEU A 20 11.629 9.559 3.302 1.00 0.00 H new ATOM 356 N VAL A 21 6.586 8.398 3.544 1.00 0.00 N ATOM 357 CA VAL A 21 5.169 8.731 3.636 1.00 0.00 C ATOM 358 C VAL A 21 4.874 9.437 4.981 1.00 0.00 C ATOM 359 O VAL A 21 4.136 10.399 5.035 1.00 0.00 O ATOM 360 CB VAL A 21 4.283 7.454 3.503 1.00 0.00 C ATOM 361 CG1 VAL A 21 2.808 7.797 3.422 1.00 0.00 C ATOM 362 CG2 VAL A 21 4.686 6.643 2.292 1.00 0.00 C ATOM 0 H VAL A 21 6.782 7.401 3.458 1.00 0.00 H new ATOM 0 HA VAL A 21 4.926 9.405 2.814 1.00 0.00 H new ATOM 0 HB VAL A 21 4.445 6.859 4.402 1.00 0.00 H new ATOM 0 HG11 VAL A 21 2.226 6.880 3.330 1.00 0.00 H new ATOM 0 HG12 VAL A 21 2.508 8.329 4.325 1.00 0.00 H new ATOM 0 HG13 VAL A 21 2.629 8.429 2.552 1.00 0.00 H new ATOM 0 HG21 VAL A 21 4.054 5.758 2.220 1.00 0.00 H new ATOM 0 HG22 VAL A 21 4.567 7.248 1.393 1.00 0.00 H new ATOM 0 HG23 VAL A 21 5.728 6.338 2.389 1.00 0.00 H new ATOM 372 N ALA A 22 5.514 8.969 6.036 1.00 0.00 N ATOM 373 CA ALA A 22 5.333 9.495 7.384 1.00 0.00 C ATOM 374 C ALA A 22 5.736 10.960 7.498 1.00 0.00 C ATOM 375 O ALA A 22 4.935 11.806 7.924 1.00 0.00 O ATOM 376 CB ALA A 22 6.135 8.667 8.365 1.00 0.00 C ATOM 0 H ALA A 22 6.184 8.202 5.984 1.00 0.00 H new ATOM 0 HA ALA A 22 4.270 9.433 7.617 1.00 0.00 H new ATOM 0 HB1 ALA A 22 5.998 9.062 9.372 1.00 0.00 H new ATOM 0 HB2 ALA A 22 5.794 7.632 8.332 1.00 0.00 H new ATOM 0 HB3 ALA A 22 7.191 8.710 8.099 1.00 0.00 H new ATOM 382 N ARG A 23 6.950 11.265 7.056 1.00 0.00 N ATOM 383 CA ARG A 23 7.516 12.619 7.161 1.00 0.00 C ATOM 384 C ARG A 23 6.753 13.626 6.314 1.00 0.00 C ATOM 385 O ARG A 23 6.848 14.839 6.540 1.00 0.00 O ATOM 386 CB ARG A 23 9.009 12.629 6.836 1.00 0.00 C ATOM 387 CG ARG A 23 9.347 12.147 5.445 1.00 0.00 C ATOM 388 CD ARG A 23 10.840 11.985 5.263 1.00 0.00 C ATOM 389 NE ARG A 23 11.399 11.025 6.227 1.00 0.00 N ATOM 390 CZ ARG A 23 12.635 10.533 6.198 1.00 0.00 C ATOM 391 NH1 ARG A 23 13.455 10.828 5.192 1.00 0.00 N ATOM 392 NH2 ARG A 23 13.035 9.729 7.171 1.00 0.00 N ATOM 0 H ARG A 23 7.574 10.589 6.615 1.00 0.00 H new ATOM 0 HA ARG A 23 7.404 12.930 8.200 1.00 0.00 H new ATOM 0 HB2 ARG A 23 9.388 13.643 6.958 1.00 0.00 H new ATOM 0 HB3 ARG A 23 9.531 12.004 7.561 1.00 0.00 H new ATOM 0 HG2 ARG A 23 8.851 11.195 5.258 1.00 0.00 H new ATOM 0 HG3 ARG A 23 8.964 12.855 4.710 1.00 0.00 H new ATOM 0 HD2 ARG A 23 11.049 11.647 4.248 1.00 0.00 H new ATOM 0 HD3 ARG A 23 11.329 12.951 5.385 1.00 0.00 H new ATOM 0 HE ARG A 23 10.788 10.710 6.981 1.00 0.00 H new ATOM 0 HH11 ARG A 23 13.137 11.435 4.436 1.00 0.00 H new ATOM 0 HH12 ARG A 23 14.401 10.447 5.177 1.00 0.00 H new ATOM 0 HH21 ARG A 23 12.398 9.493 7.932 1.00 0.00 H new ATOM 0 HH22 ARG A 23 13.980 9.346 7.160 1.00 0.00 H new ATOM 406 N HIS A 24 5.999 13.115 5.344 1.00 0.00 N ATOM 407 CA HIS A 24 5.132 13.919 4.492 1.00 0.00 C ATOM 408 C HIS A 24 4.155 14.759 5.336 1.00 0.00 C ATOM 409 O HIS A 24 3.817 15.891 4.974 1.00 0.00 O ATOM 410 CB HIS A 24 4.349 12.999 3.516 1.00 0.00 C ATOM 411 CG HIS A 24 3.216 13.676 2.788 1.00 0.00 C ATOM 412 ND1 HIS A 24 1.881 13.460 3.069 1.00 0.00 N ATOM 413 CD2 HIS A 24 3.242 14.590 1.801 1.00 0.00 C ATOM 414 CE1 HIS A 24 1.162 14.240 2.264 1.00 0.00 C ATOM 415 NE2 HIS A 24 1.941 14.950 1.470 1.00 0.00 N ATOM 0 H HIS A 24 5.974 12.119 5.126 1.00 0.00 H new ATOM 0 HA HIS A 24 5.754 14.604 3.915 1.00 0.00 H new ATOM 0 HB2 HIS A 24 5.045 12.595 2.781 1.00 0.00 H new ATOM 0 HB3 HIS A 24 3.950 12.153 4.076 1.00 0.00 H new ATOM 0 HD2 HIS A 24 4.135 14.983 1.338 1.00 0.00 H new ATOM 0 HE1 HIS A 24 0.083 14.286 2.261 1.00 0.00 H new ATOM 0 HE2 HIS A 24 1.649 15.623 0.761 1.00 0.00 H new ATOM 423 N GLY A 25 3.728 14.222 6.455 1.00 0.00 N ATOM 424 CA GLY A 25 2.791 14.947 7.268 1.00 0.00 C ATOM 425 C GLY A 25 1.907 14.057 8.085 1.00 0.00 C ATOM 426 O GLY A 25 0.976 14.531 8.734 1.00 0.00 O ATOM 0 H GLY A 25 4.008 13.309 6.813 1.00 0.00 H new ATOM 0 HA2 GLY A 25 3.338 15.615 7.933 1.00 0.00 H new ATOM 0 HA3 GLY A 25 2.172 15.573 6.626 1.00 0.00 H new ATOM 430 N LEU A 26 2.146 12.773 8.020 1.00 0.00 N ATOM 431 CA LEU A 26 1.434 11.826 8.797 1.00 0.00 C ATOM 432 C LEU A 26 1.772 11.924 10.250 1.00 0.00 C ATOM 433 O LEU A 26 2.914 12.206 10.635 1.00 0.00 O ATOM 434 CB LEU A 26 1.717 10.423 8.322 1.00 0.00 C ATOM 435 CG LEU A 26 0.953 9.944 7.102 1.00 0.00 C ATOM 436 CD1 LEU A 26 1.256 10.744 5.850 1.00 0.00 C ATOM 437 CD2 LEU A 26 1.155 8.459 6.906 1.00 0.00 C ATOM 0 H LEU A 26 2.855 12.362 7.412 1.00 0.00 H new ATOM 0 HA LEU A 26 0.375 12.053 8.672 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.783 10.346 8.106 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.508 9.738 9.144 1.00 0.00 H new ATOM 0 HG LEU A 26 -0.106 10.120 7.293 1.00 0.00 H new ATOM 0 HD11 LEU A 26 0.676 10.348 5.016 1.00 0.00 H new ATOM 0 HD12 LEU A 26 0.991 11.789 6.013 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.319 10.671 5.620 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.601 8.129 6.027 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.216 8.252 6.765 1.00 0.00 H new ATOM 0 HD23 LEU A 26 0.794 7.924 7.784 1.00 0.00 H new ATOM 449 N ASP A 27 0.782 11.692 11.043 1.00 0.00 N ATOM 450 CA ASP A 27 0.933 11.670 12.478 1.00 0.00 C ATOM 451 C ASP A 27 1.424 10.320 12.896 1.00 0.00 C ATOM 452 O ASP A 27 1.403 9.391 12.091 1.00 0.00 O ATOM 453 CB ASP A 27 -0.381 11.996 13.188 1.00 0.00 C ATOM 454 CG ASP A 27 -0.744 13.453 13.101 1.00 0.00 C ATOM 455 OD1 ASP A 27 -0.170 14.253 13.850 1.00 0.00 O ATOM 456 OD2 ASP A 27 -1.618 13.830 12.289 1.00 0.00 O ATOM 0 H ASP A 27 -0.169 11.509 10.721 1.00 0.00 H new ATOM 0 HA ASP A 27 1.655 12.435 12.763 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -1.182 11.400 12.751 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -0.304 11.707 14.236 1.00 0.00 H new ATOM 461 N HIS A 28 1.821 10.187 14.151 1.00 0.00 N ATOM 462 CA HIS A 28 2.372 8.924 14.664 1.00 0.00 C ATOM 463 C HIS A 28 1.377 7.797 14.476 1.00 0.00 C ATOM 464 O HIS A 28 1.725 6.724 13.997 1.00 0.00 O ATOM 465 CB HIS A 28 2.774 9.044 16.144 1.00 0.00 C ATOM 466 CG HIS A 28 3.839 10.068 16.413 1.00 0.00 C ATOM 467 ND1 HIS A 28 5.191 9.820 16.316 1.00 0.00 N ATOM 468 CD2 HIS A 28 3.728 11.371 16.763 1.00 0.00 C ATOM 469 CE1 HIS A 28 5.844 10.943 16.602 1.00 0.00 C ATOM 470 NE2 HIS A 28 4.999 11.923 16.878 1.00 0.00 N ATOM 0 H HIS A 28 1.775 10.936 14.842 1.00 0.00 H new ATOM 0 HA HIS A 28 3.272 8.698 14.092 1.00 0.00 H new ATOM 0 HB2 HIS A 28 1.889 9.294 16.730 1.00 0.00 H new ATOM 0 HB3 HIS A 28 3.124 8.073 16.494 1.00 0.00 H new ATOM 0 HD2 HIS A 28 2.800 11.898 16.927 1.00 0.00 H new ATOM 0 HE1 HIS A 28 6.919 11.042 16.608 1.00 0.00 H new ATOM 0 HE2 HIS A 28 5.232 12.885 17.124 1.00 0.00 H new ATOM 478 N ASP A 29 0.125 8.087 14.788 1.00 0.00 N ATOM 479 CA ASP A 29 -0.971 7.140 14.640 1.00 0.00 C ATOM 480 C ASP A 29 -1.171 6.772 13.180 1.00 0.00 C ATOM 481 O ASP A 29 -1.398 5.618 12.847 1.00 0.00 O ATOM 482 CB ASP A 29 -2.252 7.730 15.218 1.00 0.00 C ATOM 483 CG ASP A 29 -3.447 6.823 15.057 1.00 0.00 C ATOM 484 OD1 ASP A 29 -3.467 5.731 15.676 1.00 0.00 O ATOM 485 OD2 ASP A 29 -4.387 7.195 14.324 1.00 0.00 O ATOM 0 H ASP A 29 -0.163 8.994 15.155 1.00 0.00 H new ATOM 0 HA ASP A 29 -0.721 6.232 15.188 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -2.103 7.940 16.277 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -2.458 8.683 14.730 1.00 0.00 H new ATOM 490 N LYS A 30 -1.007 7.754 12.311 1.00 0.00 N ATOM 491 CA LYS A 30 -1.150 7.551 10.876 1.00 0.00 C ATOM 492 C LYS A 30 -0.082 6.605 10.361 1.00 0.00 C ATOM 493 O LYS A 30 -0.366 5.724 9.562 1.00 0.00 O ATOM 494 CB LYS A 30 -1.079 8.879 10.126 1.00 0.00 C ATOM 495 CG LYS A 30 -2.259 9.808 10.346 1.00 0.00 C ATOM 496 CD LYS A 30 -3.547 9.208 9.814 1.00 0.00 C ATOM 497 CE LYS A 30 -4.701 10.176 9.963 1.00 0.00 C ATOM 498 NZ LYS A 30 -5.952 9.618 9.431 1.00 0.00 N ATOM 0 H LYS A 30 -0.772 8.711 12.576 1.00 0.00 H new ATOM 0 HA LYS A 30 -2.129 7.106 10.698 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -0.168 9.398 10.424 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -0.994 8.672 9.059 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -2.366 10.016 11.411 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -2.070 10.761 9.853 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -3.423 8.945 8.764 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -3.771 8.285 10.350 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -4.833 10.425 11.016 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -4.466 11.104 9.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -6.719 10.310 9.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -5.834 9.403 8.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -6.189 8.745 9.945 1.00 0.00 H new ATOM 512 N VAL A 31 1.141 6.780 10.849 1.00 0.00 N ATOM 513 CA VAL A 31 2.255 5.929 10.479 1.00 0.00 C ATOM 514 C VAL A 31 1.964 4.501 10.913 1.00 0.00 C ATOM 515 O VAL A 31 2.210 3.554 10.171 1.00 0.00 O ATOM 516 CB VAL A 31 3.576 6.412 11.139 1.00 0.00 C ATOM 517 CG1 VAL A 31 4.761 5.573 10.687 1.00 0.00 C ATOM 518 CG2 VAL A 31 3.814 7.875 10.843 1.00 0.00 C ATOM 0 H VAL A 31 1.383 7.517 11.512 1.00 0.00 H new ATOM 0 HA VAL A 31 2.378 5.975 9.397 1.00 0.00 H new ATOM 0 HB VAL A 31 3.474 6.288 12.217 1.00 0.00 H new ATOM 0 HG11 VAL A 31 5.669 5.937 11.167 1.00 0.00 H new ATOM 0 HG12 VAL A 31 4.597 4.532 10.964 1.00 0.00 H new ATOM 0 HG13 VAL A 31 4.868 5.648 9.605 1.00 0.00 H new ATOM 0 HG21 VAL A 31 4.744 8.195 11.314 1.00 0.00 H new ATOM 0 HG22 VAL A 31 3.884 8.021 9.765 1.00 0.00 H new ATOM 0 HG23 VAL A 31 2.986 8.465 11.237 1.00 0.00 H new ATOM 528 N LEU A 32 1.414 4.361 12.102 1.00 0.00 N ATOM 529 CA LEU A 32 1.050 3.064 12.646 1.00 0.00 C ATOM 530 C LEU A 32 0.001 2.400 11.782 1.00 0.00 C ATOM 531 O LEU A 32 0.177 1.261 11.366 1.00 0.00 O ATOM 532 CB LEU A 32 0.544 3.204 14.070 1.00 0.00 C ATOM 533 CG LEU A 32 1.501 3.869 15.047 1.00 0.00 C ATOM 534 CD1 LEU A 32 0.878 3.947 16.412 1.00 0.00 C ATOM 535 CD2 LEU A 32 2.837 3.138 15.097 1.00 0.00 C ATOM 0 H LEU A 32 1.205 5.144 12.722 1.00 0.00 H new ATOM 0 HA LEU A 32 1.942 2.437 12.655 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -0.384 3.776 14.052 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.299 2.212 14.448 1.00 0.00 H new ATOM 0 HG LEU A 32 1.697 4.882 14.697 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.573 4.425 17.102 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.041 4.531 16.360 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.649 2.942 16.766 1.00 0.00 H new ATOM 0 HD21 LEU A 32 3.499 3.638 15.804 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.677 2.108 15.416 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.293 3.145 14.107 1.00 0.00 H new ATOM 547 N LEU A 33 -1.057 3.136 11.474 1.00 0.00 N ATOM 548 CA LEU A 33 -2.147 2.634 10.637 1.00 0.00 C ATOM 549 C LEU A 33 -1.621 2.228 9.277 1.00 0.00 C ATOM 550 O LEU A 33 -1.893 1.125 8.797 1.00 0.00 O ATOM 551 CB LEU A 33 -3.221 3.705 10.444 1.00 0.00 C ATOM 552 CG LEU A 33 -3.886 4.265 11.696 1.00 0.00 C ATOM 553 CD1 LEU A 33 -4.805 5.411 11.327 1.00 0.00 C ATOM 554 CD2 LEU A 33 -4.663 3.187 12.419 1.00 0.00 C ATOM 0 H LEU A 33 -1.188 4.096 11.794 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.581 1.771 11.141 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -2.773 4.537 9.900 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.001 3.289 9.806 1.00 0.00 H new ATOM 0 HG LEU A 33 -3.107 4.633 12.364 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.276 5.805 12.228 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.227 6.200 10.845 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -5.574 5.054 10.642 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.129 3.609 13.309 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -5.434 2.790 11.759 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -3.986 2.384 12.710 1.00 0.00 H new ATOM 566 N PHE A 34 -0.850 3.114 8.680 1.00 0.00 N ATOM 567 CA PHE A 34 -0.289 2.889 7.377 1.00 0.00 C ATOM 568 C PHE A 34 0.621 1.672 7.371 1.00 0.00 C ATOM 569 O PHE A 34 0.418 0.765 6.582 1.00 0.00 O ATOM 570 CB PHE A 34 0.449 4.143 6.886 1.00 0.00 C ATOM 571 CG PHE A 34 1.093 3.989 5.542 1.00 0.00 C ATOM 572 CD1 PHE A 34 0.320 3.909 4.399 1.00 0.00 C ATOM 573 CD2 PHE A 34 2.469 3.901 5.424 1.00 0.00 C ATOM 574 CE1 PHE A 34 0.905 3.751 3.165 1.00 0.00 C ATOM 575 CE2 PHE A 34 3.061 3.740 4.194 1.00 0.00 C ATOM 576 CZ PHE A 34 2.281 3.664 3.063 1.00 0.00 C ATOM 0 H PHE A 34 -0.598 4.012 9.093 1.00 0.00 H new ATOM 0 HA PHE A 34 -1.106 2.685 6.685 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -0.256 4.973 6.846 1.00 0.00 H new ATOM 0 HB3 PHE A 34 1.214 4.409 7.615 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -0.755 3.971 4.476 1.00 0.00 H new ATOM 0 HD2 PHE A 34 3.085 3.960 6.309 1.00 0.00 H new ATOM 0 HE1 PHE A 34 0.292 3.695 2.278 1.00 0.00 H new ATOM 0 HE2 PHE A 34 4.136 3.673 4.115 1.00 0.00 H new ATOM 0 HZ PHE A 34 2.744 3.536 2.096 1.00 0.00 H new ATOM 586 N SER A 35 1.576 1.630 8.288 1.00 0.00 N ATOM 587 CA SER A 35 2.537 0.543 8.340 1.00 0.00 C ATOM 588 C SER A 35 1.872 -0.815 8.567 1.00 0.00 C ATOM 589 O SER A 35 2.201 -1.786 7.885 1.00 0.00 O ATOM 590 CB SER A 35 3.628 0.814 9.392 1.00 0.00 C ATOM 591 OG SER A 35 3.072 1.037 10.677 1.00 0.00 O ATOM 0 H SER A 35 1.705 2.340 9.008 1.00 0.00 H new ATOM 0 HA SER A 35 3.014 0.498 7.361 1.00 0.00 H new ATOM 0 HB2 SER A 35 4.312 -0.033 9.433 1.00 0.00 H new ATOM 0 HB3 SER A 35 4.214 1.683 9.093 1.00 0.00 H new ATOM 0 HG SER A 35 2.787 1.972 10.752 1.00 0.00 H new ATOM 597 N ARG A 36 0.897 -0.870 9.474 1.00 0.00 N ATOM 598 CA ARG A 36 0.260 -2.127 9.796 1.00 0.00 C ATOM 599 C ARG A 36 -0.653 -2.598 8.667 1.00 0.00 C ATOM 600 O ARG A 36 -0.749 -3.805 8.393 1.00 0.00 O ATOM 601 CB ARG A 36 -0.485 -2.062 11.149 1.00 0.00 C ATOM 602 CG ARG A 36 -1.681 -1.129 11.192 1.00 0.00 C ATOM 603 CD ARG A 36 -2.250 -1.027 12.594 1.00 0.00 C ATOM 604 NE ARG A 36 -2.741 -2.324 13.095 1.00 0.00 N ATOM 605 CZ ARG A 36 -3.161 -2.562 14.350 1.00 0.00 C ATOM 606 NH1 ARG A 36 -3.158 -1.592 15.262 1.00 0.00 N ATOM 607 NH2 ARG A 36 -3.582 -3.777 14.684 1.00 0.00 N ATOM 0 H ARG A 36 0.541 -0.064 9.988 1.00 0.00 H new ATOM 0 HA ARG A 36 1.049 -2.871 9.904 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -0.820 -3.066 11.408 1.00 0.00 H new ATOM 0 HB3 ARG A 36 0.222 -1.754 11.919 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -1.385 -0.139 10.844 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -2.451 -1.490 10.510 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -1.483 -0.647 13.268 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -3.066 -0.305 12.601 1.00 0.00 H new ATOM 0 HE ARG A 36 -2.764 -3.103 12.437 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -2.835 -0.657 15.012 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -3.479 -1.783 16.211 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -3.586 -4.524 13.990 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -3.902 -3.963 15.635 1.00 0.00 H new ATOM 621 N ASP A 37 -1.287 -1.665 7.977 1.00 0.00 N ATOM 622 CA ASP A 37 -2.199 -2.040 6.909 1.00 0.00 C ATOM 623 C ASP A 37 -1.409 -2.413 5.664 1.00 0.00 C ATOM 624 O ASP A 37 -1.755 -3.366 4.947 1.00 0.00 O ATOM 625 CB ASP A 37 -3.208 -0.936 6.625 1.00 0.00 C ATOM 626 CG ASP A 37 -4.463 -1.477 5.983 1.00 0.00 C ATOM 627 OD1 ASP A 37 -5.257 -2.158 6.694 1.00 0.00 O ATOM 628 OD2 ASP A 37 -4.708 -1.218 4.801 1.00 0.00 O ATOM 0 H ASP A 37 -1.191 -0.661 8.132 1.00 0.00 H new ATOM 0 HA ASP A 37 -2.771 -2.911 7.228 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -3.465 -0.430 7.555 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -2.757 -0.190 5.970 1.00 0.00 H new ATOM 633 N LEU A 38 -0.319 -1.688 5.451 1.00 0.00 N ATOM 634 CA LEU A 38 0.634 -1.941 4.371 1.00 0.00 C ATOM 635 C LEU A 38 1.290 -3.308 4.539 1.00 0.00 C ATOM 636 O LEU A 38 1.428 -4.060 3.571 1.00 0.00 O ATOM 637 CB LEU A 38 1.696 -0.819 4.352 1.00 0.00 C ATOM 638 CG LEU A 38 2.938 -1.007 3.470 1.00 0.00 C ATOM 639 CD1 LEU A 38 2.572 -1.251 2.032 1.00 0.00 C ATOM 640 CD2 LEU A 38 3.837 0.208 3.577 1.00 0.00 C ATOM 0 H LEU A 38 -0.065 -0.891 6.034 1.00 0.00 H new ATOM 0 HA LEU A 38 0.104 -1.945 3.419 1.00 0.00 H new ATOM 0 HB2 LEU A 38 1.202 0.101 4.039 1.00 0.00 H new ATOM 0 HB3 LEU A 38 2.036 -0.666 5.376 1.00 0.00 H new ATOM 0 HG LEU A 38 3.469 -1.888 3.830 1.00 0.00 H new ATOM 0 HD11 LEU A 38 3.480 -1.379 1.442 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.962 -2.152 1.959 1.00 0.00 H new ATOM 0 HD13 LEU A 38 2.008 -0.400 1.651 1.00 0.00 H new ATOM 0 HD21 LEU A 38 4.716 0.067 2.948 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.293 1.093 3.247 1.00 0.00 H new ATOM 0 HD23 LEU A 38 4.149 0.339 4.613 1.00 0.00 H new ATOM 652 N ASP A 39 1.672 -3.630 5.767 1.00 0.00 N ATOM 653 CA ASP A 39 2.303 -4.914 6.075 1.00 0.00 C ATOM 654 C ASP A 39 1.388 -6.064 5.672 1.00 0.00 C ATOM 655 O ASP A 39 1.824 -7.031 5.028 1.00 0.00 O ATOM 656 CB ASP A 39 2.643 -5.009 7.563 1.00 0.00 C ATOM 657 CG ASP A 39 3.373 -6.280 7.915 1.00 0.00 C ATOM 658 OD1 ASP A 39 4.622 -6.302 7.835 1.00 0.00 O ATOM 659 OD2 ASP A 39 2.719 -7.280 8.283 1.00 0.00 O ATOM 0 H ASP A 39 1.556 -3.017 6.574 1.00 0.00 H new ATOM 0 HA ASP A 39 3.229 -4.983 5.505 1.00 0.00 H new ATOM 0 HB2 ASP A 39 3.256 -4.153 7.846 1.00 0.00 H new ATOM 0 HB3 ASP A 39 1.724 -4.950 8.146 1.00 0.00 H new ATOM 664 N LYS A 40 0.106 -5.932 6.006 1.00 0.00 N ATOM 665 CA LYS A 40 -0.885 -6.938 5.639 1.00 0.00 C ATOM 666 C LYS A 40 -1.036 -7.017 4.134 1.00 0.00 C ATOM 667 O LYS A 40 -1.116 -8.098 3.584 1.00 0.00 O ATOM 668 CB LYS A 40 -2.252 -6.633 6.230 1.00 0.00 C ATOM 669 CG LYS A 40 -2.339 -6.680 7.744 1.00 0.00 C ATOM 670 CD LYS A 40 -3.756 -6.358 8.225 1.00 0.00 C ATOM 671 CE LYS A 40 -4.169 -4.948 7.828 1.00 0.00 C ATOM 672 NZ LYS A 40 -5.545 -4.609 8.229 1.00 0.00 N ATOM 0 H LYS A 40 -0.269 -5.140 6.529 1.00 0.00 H new ATOM 0 HA LYS A 40 -0.523 -7.886 6.039 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -2.558 -5.641 5.897 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -2.971 -7.343 5.821 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -2.048 -7.669 8.098 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -1.635 -5.968 8.174 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -4.458 -7.077 7.802 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -3.807 -6.462 9.309 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -3.480 -4.234 8.280 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -4.076 -4.840 6.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -5.818 -3.701 7.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -6.194 -5.354 7.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -5.596 -4.532 9.265 1.00 0.00 H new ATOM 686 N LEU A 41 -1.060 -5.852 3.482 1.00 0.00 N ATOM 687 CA LEU A 41 -1.230 -5.764 2.031 1.00 0.00 C ATOM 688 C LEU A 41 -0.153 -6.539 1.302 1.00 0.00 C ATOM 689 O LEU A 41 -0.437 -7.268 0.351 1.00 0.00 O ATOM 690 CB LEU A 41 -1.248 -4.301 1.566 1.00 0.00 C ATOM 691 CG LEU A 41 -1.372 -4.076 0.055 1.00 0.00 C ATOM 692 CD1 LEU A 41 -2.606 -4.764 -0.500 1.00 0.00 C ATOM 693 CD2 LEU A 41 -1.410 -2.597 -0.253 1.00 0.00 C ATOM 0 H LEU A 41 -0.963 -4.947 3.943 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.193 -6.213 1.787 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -2.079 -3.795 2.058 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -0.333 -3.820 1.911 1.00 0.00 H new ATOM 0 HG LEU A 41 -0.497 -4.513 -0.426 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -2.669 -4.588 -1.574 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.541 -5.836 -0.311 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -3.496 -4.363 -0.014 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.498 -2.452 -1.330 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.266 -2.143 0.246 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -0.493 -2.128 0.102 1.00 0.00 H new ATOM 705 N ILE A 42 1.057 -6.401 1.762 1.00 0.00 N ATOM 706 CA ILE A 42 2.160 -7.108 1.172 1.00 0.00 C ATOM 707 C ILE A 42 2.016 -8.597 1.417 1.00 0.00 C ATOM 708 O ILE A 42 1.950 -9.365 0.465 1.00 0.00 O ATOM 709 CB ILE A 42 3.516 -6.572 1.675 1.00 0.00 C ATOM 710 CG1 ILE A 42 3.643 -5.109 1.270 1.00 0.00 C ATOM 711 CG2 ILE A 42 4.674 -7.382 1.098 1.00 0.00 C ATOM 712 CD1 ILE A 42 4.899 -4.442 1.728 1.00 0.00 C ATOM 0 H ILE A 42 1.307 -5.802 2.549 1.00 0.00 H new ATOM 0 HA ILE A 42 2.140 -6.937 0.096 1.00 0.00 H new ATOM 0 HB ILE A 42 3.558 -6.664 2.760 1.00 0.00 H new ATOM 0 HG12 ILE A 42 3.587 -5.040 0.184 1.00 0.00 H new ATOM 0 HG13 ILE A 42 2.790 -4.560 1.669 1.00 0.00 H new ATOM 0 HG21 ILE A 42 5.618 -6.983 1.469 1.00 0.00 H new ATOM 0 HG22 ILE A 42 4.576 -8.424 1.402 1.00 0.00 H new ATOM 0 HG23 ILE A 42 4.656 -7.319 0.010 1.00 0.00 H new ATOM 0 HD11 ILE A 42 4.902 -3.404 1.394 1.00 0.00 H new ATOM 0 HD12 ILE A 42 4.952 -4.473 2.816 1.00 0.00 H new ATOM 0 HD13 ILE A 42 5.761 -4.961 1.308 1.00 0.00 H new ATOM 724 N ASN A 43 1.864 -8.990 2.686 1.00 0.00 N ATOM 725 CA ASN A 43 1.728 -10.416 3.071 1.00 0.00 C ATOM 726 C ASN A 43 0.565 -11.099 2.361 1.00 0.00 C ATOM 727 O ASN A 43 0.616 -12.302 2.076 1.00 0.00 O ATOM 728 CB ASN A 43 1.601 -10.591 4.592 1.00 0.00 C ATOM 729 CG ASN A 43 2.922 -10.440 5.334 1.00 0.00 C ATOM 730 OD1 ASN A 43 3.643 -11.415 5.536 1.00 0.00 O ATOM 731 ND2 ASN A 43 3.240 -9.252 5.766 1.00 0.00 N ATOM 0 H ASN A 43 1.831 -8.344 3.474 1.00 0.00 H new ATOM 0 HA ASN A 43 2.648 -10.903 2.748 1.00 0.00 H new ATOM 0 HB2 ASN A 43 0.892 -9.858 4.976 1.00 0.00 H new ATOM 0 HB3 ASN A 43 1.186 -11.577 4.803 1.00 0.00 H new ATOM 0 HD21 ASN A 43 4.106 -9.114 6.286 1.00 0.00 H new ATOM 0 HD22 ASN A 43 2.623 -8.461 5.584 1.00 0.00 H new ATOM 738 N LYS A 44 -0.457 -10.319 2.074 1.00 0.00 N ATOM 739 CA LYS A 44 -1.642 -10.739 1.329 1.00 0.00 C ATOM 740 C LYS A 44 -1.234 -11.265 -0.042 1.00 0.00 C ATOM 741 O LYS A 44 -1.605 -12.361 -0.440 1.00 0.00 O ATOM 742 CB LYS A 44 -2.535 -9.516 1.159 1.00 0.00 C ATOM 743 CG LYS A 44 -3.869 -9.731 0.461 1.00 0.00 C ATOM 744 CD LYS A 44 -4.566 -8.389 0.220 1.00 0.00 C ATOM 745 CE LYS A 44 -4.690 -7.563 1.506 1.00 0.00 C ATOM 746 NZ LYS A 44 -5.284 -6.232 1.264 1.00 0.00 N ATOM 0 H LYS A 44 -0.494 -9.340 2.360 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.166 -11.532 1.863 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -2.732 -9.100 2.147 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -1.977 -8.763 0.601 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -3.712 -10.242 -0.489 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -4.505 -10.375 1.068 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -4.008 -7.820 -0.523 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -5.559 -8.566 -0.194 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -5.302 -8.106 2.226 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -3.704 -7.442 1.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -4.949 -5.566 1.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -5.001 -5.891 0.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -6.321 -6.301 1.309 1.00 0.00 H new ATOM 760 N PHE A 45 -0.428 -10.490 -0.725 1.00 0.00 N ATOM 761 CA PHE A 45 0.027 -10.831 -2.051 1.00 0.00 C ATOM 762 C PHE A 45 1.122 -11.870 -2.037 1.00 0.00 C ATOM 763 O PHE A 45 1.278 -12.640 -2.983 1.00 0.00 O ATOM 764 CB PHE A 45 0.443 -9.587 -2.814 1.00 0.00 C ATOM 765 CG PHE A 45 -0.728 -8.849 -3.355 1.00 0.00 C ATOM 766 CD1 PHE A 45 -1.480 -8.005 -2.556 1.00 0.00 C ATOM 767 CD2 PHE A 45 -1.104 -9.036 -4.662 1.00 0.00 C ATOM 768 CE1 PHE A 45 -2.579 -7.356 -3.060 1.00 0.00 C ATOM 769 CE2 PHE A 45 -2.202 -8.398 -5.171 1.00 0.00 C ATOM 770 CZ PHE A 45 -2.944 -7.552 -4.368 1.00 0.00 C ATOM 0 H PHE A 45 -0.068 -9.602 -0.376 1.00 0.00 H new ATOM 0 HA PHE A 45 -0.815 -11.284 -2.575 1.00 0.00 H new ATOM 0 HB2 PHE A 45 1.012 -8.931 -2.155 1.00 0.00 H new ATOM 0 HB3 PHE A 45 1.105 -9.868 -3.633 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -1.199 -7.856 -1.524 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -0.527 -9.694 -5.295 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -3.154 -6.694 -2.430 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -2.489 -8.555 -6.200 1.00 0.00 H new ATOM 0 HZ PHE A 45 -3.810 -7.046 -4.770 1.00 0.00 H new ATOM 780 N MET A 46 1.858 -11.918 -0.954 1.00 0.00 N ATOM 781 CA MET A 46 2.925 -12.899 -0.797 1.00 0.00 C ATOM 782 C MET A 46 2.317 -14.266 -0.540 1.00 0.00 C ATOM 783 O MET A 46 2.984 -15.285 -0.684 1.00 0.00 O ATOM 784 CB MET A 46 3.814 -12.544 0.388 1.00 0.00 C ATOM 785 CG MET A 46 4.267 -11.112 0.416 1.00 0.00 C ATOM 786 SD MET A 46 5.449 -10.777 1.708 1.00 0.00 S ATOM 787 CE MET A 46 6.866 -11.422 0.891 1.00 0.00 C ATOM 0 H MET A 46 1.743 -11.289 -0.159 1.00 0.00 H new ATOM 0 HA MET A 46 3.521 -12.905 -1.709 1.00 0.00 H new ATOM 0 HB2 MET A 46 3.274 -12.760 1.310 1.00 0.00 H new ATOM 0 HB3 MET A 46 4.692 -13.190 0.375 1.00 0.00 H new ATOM 0 HG2 MET A 46 4.709 -10.858 -0.547 1.00 0.00 H new ATOM 0 HG3 MET A 46 3.400 -10.465 0.549 1.00 0.00 H new ATOM 0 HE1 MET A 46 7.751 -10.871 1.208 1.00 0.00 H new ATOM 0 HE2 MET A 46 6.984 -12.475 1.145 1.00 0.00 H new ATOM 0 HE3 MET A 46 6.742 -11.320 -0.187 1.00 0.00 H new ATOM 1151 N LEU B 6 10.003 14.981 -1.993 1.00 0.00 N ATOM 1152 CA LEU B 6 9.654 13.945 -1.042 1.00 0.00 C ATOM 1153 C LEU B 6 8.672 12.951 -1.681 1.00 0.00 C ATOM 1154 O LEU B 6 8.844 11.740 -1.572 1.00 0.00 O ATOM 1155 CB LEU B 6 9.088 14.634 0.237 1.00 0.00 C ATOM 1156 CG LEU B 6 8.634 13.781 1.442 1.00 0.00 C ATOM 1157 CD1 LEU B 6 7.267 13.175 1.220 1.00 0.00 C ATOM 1158 CD2 LEU B 6 9.654 12.701 1.763 1.00 0.00 C ATOM 0 HA LEU B 6 10.527 13.360 -0.753 1.00 0.00 H new ATOM 0 HB2 LEU B 6 9.852 15.323 0.598 1.00 0.00 H new ATOM 0 HB3 LEU B 6 8.235 15.238 -0.072 1.00 0.00 H new ATOM 0 HG LEU B 6 8.561 14.451 2.299 1.00 0.00 H new ATOM 0 HD11 LEU B 6 6.986 12.583 2.091 1.00 0.00 H new ATOM 0 HD12 LEU B 6 6.537 13.970 1.070 1.00 0.00 H new ATOM 0 HD13 LEU B 6 7.292 12.534 0.339 1.00 0.00 H new ATOM 0 HD21 LEU B 6 9.308 12.116 2.615 1.00 0.00 H new ATOM 0 HD22 LEU B 6 9.776 12.047 0.899 1.00 0.00 H new ATOM 0 HD23 LEU B 6 10.611 13.164 2.005 1.00 0.00 H new ATOM 1170 N LYS B 7 7.676 13.475 -2.373 1.00 0.00 N ATOM 1171 CA LYS B 7 6.679 12.649 -3.049 1.00 0.00 C ATOM 1172 C LYS B 7 7.328 11.836 -4.159 1.00 0.00 C ATOM 1173 O LYS B 7 6.943 10.690 -4.408 1.00 0.00 O ATOM 1174 CB LYS B 7 5.565 13.523 -3.605 1.00 0.00 C ATOM 1175 CG LYS B 7 4.170 13.114 -3.160 1.00 0.00 C ATOM 1176 CD LYS B 7 3.673 11.802 -3.783 1.00 0.00 C ATOM 1177 CE LYS B 7 3.367 11.951 -5.261 1.00 0.00 C ATOM 1178 NZ LYS B 7 2.623 10.784 -5.781 1.00 0.00 N ATOM 0 H LYS B 7 7.532 14.479 -2.485 1.00 0.00 H new ATOM 0 HA LYS B 7 6.248 11.956 -2.326 1.00 0.00 H new ATOM 0 HB2 LYS B 7 5.743 14.555 -3.302 1.00 0.00 H new ATOM 0 HB3 LYS B 7 5.608 13.498 -4.694 1.00 0.00 H new ATOM 0 HG2 LYS B 7 4.161 13.015 -2.075 1.00 0.00 H new ATOM 0 HG3 LYS B 7 3.471 13.911 -3.413 1.00 0.00 H new ATOM 0 HD2 LYS B 7 4.428 11.028 -3.646 1.00 0.00 H new ATOM 0 HD3 LYS B 7 2.777 11.470 -3.260 1.00 0.00 H new ATOM 0 HE2 LYS B 7 2.784 12.857 -5.423 1.00 0.00 H new ATOM 0 HE3 LYS B 7 4.298 12.067 -5.816 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 2.475 10.895 -6.804 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 3.168 9.917 -5.602 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 1.702 10.718 -5.303 1.00 0.00 H new ATOM 1192 N ASN B 8 8.322 12.432 -4.799 1.00 0.00 N ATOM 1193 CA ASN B 8 9.107 11.764 -5.834 1.00 0.00 C ATOM 1194 C ASN B 8 9.808 10.546 -5.228 1.00 0.00 C ATOM 1195 O ASN B 8 9.790 9.443 -5.794 1.00 0.00 O ATOM 1196 CB ASN B 8 10.164 12.727 -6.400 1.00 0.00 C ATOM 1197 CG ASN B 8 11.040 12.096 -7.468 1.00 0.00 C ATOM 1198 OD1 ASN B 8 10.587 11.262 -8.262 1.00 0.00 O ATOM 1199 ND2 ASN B 8 12.298 12.457 -7.482 1.00 0.00 N ATOM 0 H ASN B 8 8.610 13.394 -4.618 1.00 0.00 H new ATOM 0 HA ASN B 8 8.443 11.450 -6.639 1.00 0.00 H new ATOM 0 HB2 ASN B 8 9.663 13.600 -6.819 1.00 0.00 H new ATOM 0 HB3 ASN B 8 10.795 13.082 -5.585 1.00 0.00 H new ATOM 0 HD21 ASN B 8 12.938 12.048 -8.162 1.00 0.00 H new ATOM 0 HD22 ASN B 8 12.638 13.148 -6.813 1.00 0.00 H new ATOM 1206 N LYS B 9 10.392 10.754 -4.051 1.00 0.00 N ATOM 1207 CA LYS B 9 11.080 9.699 -3.332 1.00 0.00 C ATOM 1208 C LYS B 9 10.098 8.617 -2.902 1.00 0.00 C ATOM 1209 O LYS B 9 10.421 7.434 -2.954 1.00 0.00 O ATOM 1210 CB LYS B 9 11.828 10.252 -2.113 1.00 0.00 C ATOM 1211 CG LYS B 9 12.862 11.330 -2.429 1.00 0.00 C ATOM 1212 CD LYS B 9 13.960 10.839 -3.364 1.00 0.00 C ATOM 1213 CE LYS B 9 15.001 11.927 -3.589 1.00 0.00 C ATOM 1214 NZ LYS B 9 16.085 11.498 -4.499 1.00 0.00 N ATOM 0 H LYS B 9 10.399 11.656 -3.575 1.00 0.00 H new ATOM 0 HA LYS B 9 11.814 9.260 -4.008 1.00 0.00 H new ATOM 0 HB2 LYS B 9 11.100 10.661 -1.413 1.00 0.00 H new ATOM 0 HB3 LYS B 9 12.328 9.427 -1.606 1.00 0.00 H new ATOM 0 HG2 LYS B 9 12.361 12.186 -2.882 1.00 0.00 H new ATOM 0 HG3 LYS B 9 13.312 11.679 -1.500 1.00 0.00 H new ATOM 0 HD2 LYS B 9 14.436 9.955 -2.941 1.00 0.00 H new ATOM 0 HD3 LYS B 9 13.526 10.541 -4.318 1.00 0.00 H new ATOM 0 HE2 LYS B 9 14.514 12.811 -4.001 1.00 0.00 H new ATOM 0 HE3 LYS B 9 15.430 12.218 -2.630 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 16.766 12.275 -4.618 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 16.570 10.671 -4.096 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 15.682 11.246 -5.424 1.00 0.00 H new ATOM 1228 N ILE B 10 8.899 9.031 -2.484 1.00 0.00 N ATOM 1229 CA ILE B 10 7.831 8.099 -2.116 1.00 0.00 C ATOM 1230 C ILE B 10 7.498 7.189 -3.286 1.00 0.00 C ATOM 1231 O ILE B 10 7.476 5.970 -3.127 1.00 0.00 O ATOM 1232 CB ILE B 10 6.545 8.834 -1.626 1.00 0.00 C ATOM 1233 CG1 ILE B 10 6.820 9.544 -0.299 1.00 0.00 C ATOM 1234 CG2 ILE B 10 5.352 7.872 -1.494 1.00 0.00 C ATOM 1235 CD1 ILE B 10 5.630 10.283 0.263 1.00 0.00 C ATOM 0 H ILE B 10 8.643 10.014 -2.392 1.00 0.00 H new ATOM 0 HA ILE B 10 8.201 7.501 -1.283 1.00 0.00 H new ATOM 0 HB ILE B 10 6.277 9.577 -2.377 1.00 0.00 H new ATOM 0 HG12 ILE B 10 7.155 8.808 0.432 1.00 0.00 H new ATOM 0 HG13 ILE B 10 7.639 10.249 -0.440 1.00 0.00 H new ATOM 0 HG21 ILE B 10 4.477 8.423 -1.150 1.00 0.00 H new ATOM 0 HG22 ILE B 10 5.139 7.421 -2.463 1.00 0.00 H new ATOM 0 HG23 ILE B 10 5.593 7.089 -0.775 1.00 0.00 H new ATOM 0 HD11 ILE B 10 5.908 10.758 1.204 1.00 0.00 H new ATOM 0 HD12 ILE B 10 5.306 11.044 -0.447 1.00 0.00 H new ATOM 0 HD13 ILE B 10 4.815 9.581 0.438 1.00 0.00 H new ATOM 1247 N GLU B 11 7.278 7.781 -4.457 1.00 0.00 N ATOM 1248 CA GLU B 11 6.984 7.012 -5.662 1.00 0.00 C ATOM 1249 C GLU B 11 8.084 6.010 -5.923 1.00 0.00 C ATOM 1250 O GLU B 11 7.821 4.821 -6.057 1.00 0.00 O ATOM 1251 CB GLU B 11 6.818 7.920 -6.882 1.00 0.00 C ATOM 1252 CG GLU B 11 5.606 8.826 -6.830 1.00 0.00 C ATOM 1253 CD GLU B 11 4.316 8.055 -6.742 1.00 0.00 C ATOM 1254 OE1 GLU B 11 4.044 7.185 -7.609 1.00 0.00 O ATOM 1255 OE2 GLU B 11 3.548 8.288 -5.812 1.00 0.00 O ATOM 0 H GLU B 11 7.298 8.791 -4.597 1.00 0.00 H new ATOM 0 HA GLU B 11 6.043 6.488 -5.496 1.00 0.00 H new ATOM 0 HB2 GLU B 11 7.712 8.535 -6.985 1.00 0.00 H new ATOM 0 HB3 GLU B 11 6.754 7.299 -7.775 1.00 0.00 H new ATOM 0 HG2 GLU B 11 5.689 9.490 -5.969 1.00 0.00 H new ATOM 0 HG3 GLU B 11 5.589 9.457 -7.719 1.00 0.00 H new ATOM 1262 N ASN B 12 9.308 6.497 -5.924 1.00 0.00 N ATOM 1263 CA ASN B 12 10.482 5.677 -6.184 1.00 0.00 C ATOM 1264 C ASN B 12 10.592 4.522 -5.191 1.00 0.00 C ATOM 1265 O ASN B 12 10.769 3.386 -5.583 1.00 0.00 O ATOM 1266 CB ASN B 12 11.760 6.536 -6.132 1.00 0.00 C ATOM 1267 CG ASN B 12 13.021 5.751 -6.469 1.00 0.00 C ATOM 1268 OD1 ASN B 12 13.406 5.653 -7.637 1.00 0.00 O ATOM 1269 ND2 ASN B 12 13.683 5.216 -5.476 1.00 0.00 N ATOM 0 H ASN B 12 9.521 7.478 -5.744 1.00 0.00 H new ATOM 0 HA ASN B 12 10.372 5.255 -7.183 1.00 0.00 H new ATOM 0 HB2 ASN B 12 11.660 7.368 -6.829 1.00 0.00 H new ATOM 0 HB3 ASN B 12 11.862 6.965 -5.135 1.00 0.00 H new ATOM 0 HD21 ASN B 12 14.544 4.700 -5.656 1.00 0.00 H new ATOM 0 HD22 ASN B 12 13.338 5.315 -4.521 1.00 0.00 H new ATOM 1276 N LYS B 13 10.429 4.825 -3.920 1.00 0.00 N ATOM 1277 CA LYS B 13 10.603 3.851 -2.849 1.00 0.00 C ATOM 1278 C LYS B 13 9.519 2.776 -2.895 1.00 0.00 C ATOM 1279 O LYS B 13 9.799 1.586 -2.752 1.00 0.00 O ATOM 1280 CB LYS B 13 10.581 4.557 -1.503 1.00 0.00 C ATOM 1281 CG LYS B 13 11.105 3.723 -0.351 1.00 0.00 C ATOM 1282 CD LYS B 13 12.549 3.330 -0.562 1.00 0.00 C ATOM 1283 CE LYS B 13 13.445 4.535 -0.727 1.00 0.00 C ATOM 1284 NZ LYS B 13 14.832 4.143 -0.970 1.00 0.00 N ATOM 0 H LYS B 13 10.171 5.756 -3.594 1.00 0.00 H new ATOM 0 HA LYS B 13 11.567 3.361 -2.987 1.00 0.00 H new ATOM 0 HB2 LYS B 13 11.174 5.469 -1.575 1.00 0.00 H new ATOM 0 HB3 LYS B 13 9.557 4.859 -1.281 1.00 0.00 H new ATOM 0 HG2 LYS B 13 11.012 4.285 0.578 1.00 0.00 H new ATOM 0 HG3 LYS B 13 10.495 2.826 -0.243 1.00 0.00 H new ATOM 0 HD2 LYS B 13 12.891 2.737 0.286 1.00 0.00 H new ATOM 0 HD3 LYS B 13 12.627 2.697 -1.446 1.00 0.00 H new ATOM 0 HE2 LYS B 13 13.087 5.144 -1.557 1.00 0.00 H new ATOM 0 HE3 LYS B 13 13.392 5.154 0.169 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 15.449 4.975 -0.877 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 15.116 3.422 -0.276 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 14.919 3.753 -1.930 1.00 0.00 H new ATOM 1298 N LYS B 14 8.294 3.222 -3.079 1.00 0.00 N ATOM 1299 CA LYS B 14 7.140 2.386 -3.241 1.00 0.00 C ATOM 1300 C LYS B 14 7.366 1.432 -4.413 1.00 0.00 C ATOM 1301 O LYS B 14 7.155 0.235 -4.293 1.00 0.00 O ATOM 1302 CB LYS B 14 5.927 3.309 -3.475 1.00 0.00 C ATOM 1303 CG LYS B 14 4.632 2.620 -3.890 1.00 0.00 C ATOM 1304 CD LYS B 14 3.554 3.636 -4.300 1.00 0.00 C ATOM 1305 CE LYS B 14 3.884 4.324 -5.614 1.00 0.00 C ATOM 1306 NZ LYS B 14 2.878 5.358 -5.982 1.00 0.00 N ATOM 0 H LYS B 14 8.074 4.217 -3.120 1.00 0.00 H new ATOM 0 HA LYS B 14 6.958 1.775 -2.357 1.00 0.00 H new ATOM 0 HB2 LYS B 14 5.740 3.869 -2.559 1.00 0.00 H new ATOM 0 HB3 LYS B 14 6.191 4.035 -4.244 1.00 0.00 H new ATOM 0 HG2 LYS B 14 4.830 1.944 -4.722 1.00 0.00 H new ATOM 0 HG3 LYS B 14 4.263 2.011 -3.065 1.00 0.00 H new ATOM 0 HD2 LYS B 14 2.594 3.128 -4.389 1.00 0.00 H new ATOM 0 HD3 LYS B 14 3.447 4.386 -3.516 1.00 0.00 H new ATOM 0 HE2 LYS B 14 4.868 4.788 -5.541 1.00 0.00 H new ATOM 0 HE3 LYS B 14 3.941 3.578 -6.407 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 3.156 5.810 -6.876 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 1.946 4.911 -6.095 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 2.828 6.076 -5.232 1.00 0.00 H new ATOM 1320 N LYS B 15 7.856 1.976 -5.519 1.00 0.00 N ATOM 1321 CA LYS B 15 8.159 1.190 -6.704 1.00 0.00 C ATOM 1322 C LYS B 15 9.290 0.213 -6.441 1.00 0.00 C ATOM 1323 O LYS B 15 9.218 -0.939 -6.876 1.00 0.00 O ATOM 1324 CB LYS B 15 8.468 2.094 -7.890 1.00 0.00 C ATOM 1325 CG LYS B 15 7.263 2.905 -8.344 1.00 0.00 C ATOM 1326 CD LYS B 15 7.623 3.923 -9.411 1.00 0.00 C ATOM 1327 CE LYS B 15 8.096 3.263 -10.704 1.00 0.00 C ATOM 1328 NZ LYS B 15 7.070 2.376 -11.287 1.00 0.00 N ATOM 0 H LYS B 15 8.054 2.972 -5.618 1.00 0.00 H new ATOM 0 HA LYS B 15 7.275 0.604 -6.955 1.00 0.00 H new ATOM 0 HB2 LYS B 15 9.277 2.773 -7.622 1.00 0.00 H new ATOM 0 HB3 LYS B 15 8.825 1.486 -8.721 1.00 0.00 H new ATOM 0 HG2 LYS B 15 6.499 2.231 -8.731 1.00 0.00 H new ATOM 0 HG3 LYS B 15 6.830 3.419 -7.486 1.00 0.00 H new ATOM 0 HD2 LYS B 15 6.755 4.548 -9.621 1.00 0.00 H new ATOM 0 HD3 LYS B 15 8.406 4.581 -9.034 1.00 0.00 H new ATOM 0 HE2 LYS B 15 8.360 4.034 -11.428 1.00 0.00 H new ATOM 0 HE3 LYS B 15 9.001 2.688 -10.506 1.00 0.00 H new ATOM 0 HZ1 LYS B 15 7.340 2.126 -12.260 1.00 0.00 H new ATOM 0 HZ2 LYS B 15 6.994 1.511 -10.715 1.00 0.00 H new ATOM 0 HZ3 LYS B 15 6.153 2.866 -11.297 1.00 0.00 H new ATOM 1342 N GLU B 16 10.321 0.670 -5.710 1.00 0.00 N ATOM 1343 CA GLU B 16 11.419 -0.196 -5.299 1.00 0.00 C ATOM 1344 C GLU B 16 10.880 -1.404 -4.550 1.00 0.00 C ATOM 1345 O GLU B 16 11.259 -2.539 -4.834 1.00 0.00 O ATOM 1346 CB GLU B 16 12.443 0.518 -4.393 1.00 0.00 C ATOM 1347 CG GLU B 16 13.319 1.577 -5.033 1.00 0.00 C ATOM 1348 CD GLU B 16 14.460 1.959 -4.105 1.00 0.00 C ATOM 1349 OE1 GLU B 16 15.465 1.215 -4.063 1.00 0.00 O ATOM 1350 OE2 GLU B 16 14.381 2.970 -3.378 1.00 0.00 O ATOM 0 H GLU B 16 10.409 1.636 -5.396 1.00 0.00 H new ATOM 0 HA GLU B 16 11.928 -0.497 -6.214 1.00 0.00 H new ATOM 0 HB2 GLU B 16 11.899 0.982 -3.570 1.00 0.00 H new ATOM 0 HB3 GLU B 16 13.094 -0.240 -3.957 1.00 0.00 H new ATOM 0 HG2 GLU B 16 13.719 1.205 -5.976 1.00 0.00 H new ATOM 0 HG3 GLU B 16 12.722 2.459 -5.266 1.00 0.00 H new ATOM 1357 N LEU B 17 9.963 -1.152 -3.625 1.00 0.00 N ATOM 1358 CA LEU B 17 9.376 -2.197 -2.820 1.00 0.00 C ATOM 1359 C LEU B 17 8.605 -3.172 -3.668 1.00 0.00 C ATOM 1360 O LEU B 17 8.739 -4.393 -3.485 1.00 0.00 O ATOM 1361 CB LEU B 17 8.531 -1.598 -1.656 1.00 0.00 C ATOM 1362 CG LEU B 17 7.474 -2.490 -0.946 1.00 0.00 C ATOM 1363 CD1 LEU B 17 6.203 -2.604 -1.743 1.00 0.00 C ATOM 1364 CD2 LEU B 17 8.028 -3.849 -0.535 1.00 0.00 C ATOM 0 H LEU B 17 9.611 -0.217 -3.418 1.00 0.00 H new ATOM 0 HA LEU B 17 10.180 -2.768 -2.356 1.00 0.00 H new ATOM 0 HB2 LEU B 17 9.226 -1.245 -0.894 1.00 0.00 H new ATOM 0 HB3 LEU B 17 8.012 -0.722 -2.045 1.00 0.00 H new ATOM 0 HG LEU B 17 7.217 -1.980 -0.018 1.00 0.00 H new ATOM 0 HD11 LEU B 17 5.494 -3.236 -1.209 1.00 0.00 H new ATOM 0 HD12 LEU B 17 5.771 -1.613 -1.883 1.00 0.00 H new ATOM 0 HD13 LEU B 17 6.422 -3.046 -2.715 1.00 0.00 H new ATOM 0 HD21 LEU B 17 7.245 -4.428 -0.044 1.00 0.00 H new ATOM 0 HD22 LEU B 17 8.374 -4.384 -1.420 1.00 0.00 H new ATOM 0 HD23 LEU B 17 8.861 -3.709 0.153 1.00 0.00 H new ATOM 1376 N ILE B 18 7.812 -2.654 -4.595 1.00 0.00 N ATOM 1377 CA ILE B 18 7.001 -3.502 -5.444 1.00 0.00 C ATOM 1378 C ILE B 18 7.897 -4.489 -6.168 1.00 0.00 C ATOM 1379 O ILE B 18 7.575 -5.647 -6.279 1.00 0.00 O ATOM 1380 CB ILE B 18 6.167 -2.699 -6.472 1.00 0.00 C ATOM 1381 CG1 ILE B 18 5.300 -1.670 -5.748 1.00 0.00 C ATOM 1382 CG2 ILE B 18 5.273 -3.664 -7.248 1.00 0.00 C ATOM 1383 CD1 ILE B 18 4.672 -0.642 -6.651 1.00 0.00 C ATOM 0 H ILE B 18 7.716 -1.655 -4.775 1.00 0.00 H new ATOM 0 HA ILE B 18 6.293 -4.027 -4.802 1.00 0.00 H new ATOM 0 HB ILE B 18 6.836 -2.179 -7.158 1.00 0.00 H new ATOM 0 HG12 ILE B 18 4.510 -2.193 -5.208 1.00 0.00 H new ATOM 0 HG13 ILE B 18 5.910 -1.158 -5.003 1.00 0.00 H new ATOM 0 HG21 ILE B 18 4.681 -3.107 -7.975 1.00 0.00 H new ATOM 0 HG22 ILE B 18 5.892 -4.395 -7.768 1.00 0.00 H new ATOM 0 HG23 ILE B 18 4.607 -4.179 -6.556 1.00 0.00 H new ATOM 0 HD11 ILE B 18 4.074 0.048 -6.056 1.00 0.00 H new ATOM 0 HD12 ILE B 18 5.454 -0.089 -7.172 1.00 0.00 H new ATOM 0 HD13 ILE B 18 4.033 -1.140 -7.380 1.00 0.00 H new ATOM 1395 N GLN B 19 9.059 -4.015 -6.575 1.00 0.00 N ATOM 1396 CA GLN B 19 10.057 -4.833 -7.237 1.00 0.00 C ATOM 1397 C GLN B 19 10.531 -5.998 -6.348 1.00 0.00 C ATOM 1398 O GLN B 19 10.764 -7.097 -6.857 1.00 0.00 O ATOM 1399 CB GLN B 19 11.220 -3.966 -7.694 1.00 0.00 C ATOM 1400 CG GLN B 19 10.805 -2.960 -8.748 1.00 0.00 C ATOM 1401 CD GLN B 19 11.849 -1.911 -9.035 1.00 0.00 C ATOM 1402 OE1 GLN B 19 13.059 -2.149 -8.913 1.00 0.00 O ATOM 1403 NE2 GLN B 19 11.394 -0.746 -9.403 1.00 0.00 N ATOM 0 H GLN B 19 9.339 -3.042 -6.454 1.00 0.00 H new ATOM 0 HA GLN B 19 9.597 -5.285 -8.115 1.00 0.00 H new ATOM 0 HB2 GLN B 19 11.637 -3.439 -6.836 1.00 0.00 H new ATOM 0 HB3 GLN B 19 12.010 -4.602 -8.093 1.00 0.00 H new ATOM 0 HG2 GLN B 19 10.573 -3.491 -9.672 1.00 0.00 H new ATOM 0 HG3 GLN B 19 9.888 -2.467 -8.425 1.00 0.00 H new ATOM 0 HE21 GLN B 19 10.389 -0.595 -9.490 1.00 0.00 H new ATOM 0 HE22 GLN B 19 12.043 0.015 -9.604 1.00 0.00 H new ATOM 1412 N LEU B 20 10.634 -5.775 -5.034 1.00 0.00 N ATOM 1413 CA LEU B 20 11.025 -6.855 -4.123 1.00 0.00 C ATOM 1414 C LEU B 20 9.881 -7.840 -3.904 1.00 0.00 C ATOM 1415 O LEU B 20 10.072 -9.048 -4.020 1.00 0.00 O ATOM 1416 CB LEU B 20 11.569 -6.394 -2.746 1.00 0.00 C ATOM 1417 CG LEU B 20 12.918 -5.656 -2.672 1.00 0.00 C ATOM 1418 CD1 LEU B 20 13.957 -6.202 -3.638 1.00 0.00 C ATOM 1419 CD2 LEU B 20 12.773 -4.158 -2.745 1.00 0.00 C ATOM 0 H LEU B 20 10.456 -4.877 -4.585 1.00 0.00 H new ATOM 0 HA LEU B 20 11.856 -7.340 -4.635 1.00 0.00 H new ATOM 0 HB2 LEU B 20 10.817 -5.745 -2.298 1.00 0.00 H new ATOM 0 HB3 LEU B 20 11.645 -7.278 -2.112 1.00 0.00 H new ATOM 0 HG LEU B 20 13.311 -5.867 -1.677 1.00 0.00 H new ATOM 0 HD11 LEU B 20 14.883 -5.637 -3.534 1.00 0.00 H new ATOM 0 HD12 LEU B 20 14.145 -7.252 -3.414 1.00 0.00 H new ATOM 0 HD13 LEU B 20 13.588 -6.109 -4.660 1.00 0.00 H new ATOM 0 HD21 LEU B 20 13.758 -3.694 -2.688 1.00 0.00 H new ATOM 0 HD22 LEU B 20 12.297 -3.884 -3.686 1.00 0.00 H new ATOM 0 HD23 LEU B 20 12.160 -3.811 -1.914 1.00 0.00 H new ATOM 1431 N VAL B 21 8.689 -7.346 -3.587 1.00 0.00 N ATOM 1432 CA VAL B 21 7.562 -8.257 -3.388 1.00 0.00 C ATOM 1433 C VAL B 21 7.135 -8.973 -4.699 1.00 0.00 C ATOM 1434 O VAL B 21 6.707 -10.129 -4.682 1.00 0.00 O ATOM 1435 CB VAL B 21 6.376 -7.583 -2.631 1.00 0.00 C ATOM 1436 CG1 VAL B 21 5.967 -6.280 -3.237 1.00 0.00 C ATOM 1437 CG2 VAL B 21 5.189 -8.515 -2.454 1.00 0.00 C ATOM 0 H VAL B 21 8.479 -6.355 -3.465 1.00 0.00 H new ATOM 0 HA VAL B 21 7.915 -9.049 -2.728 1.00 0.00 H new ATOM 0 HB VAL B 21 6.756 -7.360 -1.634 1.00 0.00 H new ATOM 0 HG11 VAL B 21 5.138 -5.858 -2.668 1.00 0.00 H new ATOM 0 HG12 VAL B 21 6.810 -5.589 -3.217 1.00 0.00 H new ATOM 0 HG13 VAL B 21 5.654 -6.441 -4.269 1.00 0.00 H new ATOM 0 HG21 VAL B 21 4.394 -7.994 -1.921 1.00 0.00 H new ATOM 0 HG22 VAL B 21 4.825 -8.830 -3.432 1.00 0.00 H new ATOM 0 HG23 VAL B 21 5.496 -9.390 -1.882 1.00 0.00 H new ATOM 1447 N ALA B 22 7.316 -8.311 -5.817 1.00 0.00 N ATOM 1448 CA ALA B 22 7.023 -8.889 -7.121 1.00 0.00 C ATOM 1449 C ALA B 22 7.905 -10.101 -7.397 1.00 0.00 C ATOM 1450 O ALA B 22 7.414 -11.158 -7.793 1.00 0.00 O ATOM 1451 CB ALA B 22 7.175 -7.864 -8.235 1.00 0.00 C ATOM 0 H ALA B 22 7.671 -7.355 -5.856 1.00 0.00 H new ATOM 0 HA ALA B 22 5.983 -9.215 -7.100 1.00 0.00 H new ATOM 0 HB1 ALA B 22 6.948 -8.332 -9.193 1.00 0.00 H new ATOM 0 HB2 ALA B 22 6.487 -7.036 -8.064 1.00 0.00 H new ATOM 0 HB3 ALA B 22 8.198 -7.489 -8.247 1.00 0.00 H new ATOM 1457 N ARG B 23 9.204 -9.969 -7.114 1.00 0.00 N ATOM 1458 CA ARG B 23 10.163 -11.045 -7.373 1.00 0.00 C ATOM 1459 C ARG B 23 10.022 -12.182 -6.362 1.00 0.00 C ATOM 1460 O ARG B 23 10.593 -13.249 -6.546 1.00 0.00 O ATOM 1461 CB ARG B 23 11.610 -10.525 -7.420 1.00 0.00 C ATOM 1462 CG ARG B 23 12.080 -9.883 -6.132 1.00 0.00 C ATOM 1463 CD ARG B 23 13.490 -9.334 -6.229 1.00 0.00 C ATOM 1464 NE ARG B 23 14.493 -10.386 -6.404 1.00 0.00 N ATOM 1465 CZ ARG B 23 15.809 -10.208 -6.252 1.00 0.00 C ATOM 1466 NH1 ARG B 23 16.282 -9.002 -5.958 1.00 0.00 N ATOM 1467 NH2 ARG B 23 16.649 -11.227 -6.409 1.00 0.00 N ATOM 0 H ARG B 23 9.615 -9.129 -6.706 1.00 0.00 H new ATOM 0 HA ARG B 23 9.927 -11.446 -8.359 1.00 0.00 H new ATOM 0 HB2 ARG B 23 12.275 -11.354 -7.663 1.00 0.00 H new ATOM 0 HB3 ARG B 23 11.697 -9.799 -8.228 1.00 0.00 H new ATOM 0 HG2 ARG B 23 11.398 -9.076 -5.864 1.00 0.00 H new ATOM 0 HG3 ARG B 23 12.036 -10.618 -5.328 1.00 0.00 H new ATOM 0 HD2 ARG B 23 13.548 -8.639 -7.066 1.00 0.00 H new ATOM 0 HD3 ARG B 23 13.718 -8.766 -5.327 1.00 0.00 H new ATOM 0 HE ARG B 23 14.165 -11.318 -6.659 1.00 0.00 H new ATOM 0 HH11 ARG B 23 15.642 -8.216 -5.849 1.00 0.00 H new ATOM 0 HH12 ARG B 23 17.286 -8.862 -5.841 1.00 0.00 H new ATOM 0 HH21 ARG B 23 16.290 -12.152 -6.647 1.00 0.00 H new ATOM 0 HH22 ARG B 23 17.652 -11.084 -6.291 1.00 0.00 H new ATOM 1481 N HIS B 24 9.271 -11.935 -5.287 1.00 0.00 N ATOM 1482 CA HIS B 24 8.971 -12.967 -4.294 1.00 0.00 C ATOM 1483 C HIS B 24 8.253 -14.143 -4.957 1.00 0.00 C ATOM 1484 O HIS B 24 8.575 -15.305 -4.710 1.00 0.00 O ATOM 1485 CB HIS B 24 8.099 -12.385 -3.143 1.00 0.00 C ATOM 1486 CG HIS B 24 7.512 -13.418 -2.193 1.00 0.00 C ATOM 1487 ND1 HIS B 24 6.301 -14.063 -2.396 1.00 0.00 N ATOM 1488 CD2 HIS B 24 7.999 -13.919 -1.038 1.00 0.00 C ATOM 1489 CE1 HIS B 24 6.111 -14.910 -1.383 1.00 0.00 C ATOM 1490 NE2 HIS B 24 7.110 -14.863 -0.529 1.00 0.00 N ATOM 0 H HIS B 24 8.858 -11.025 -5.082 1.00 0.00 H new ATOM 0 HA HIS B 24 9.911 -13.320 -3.869 1.00 0.00 H new ATOM 0 HB2 HIS B 24 8.705 -11.687 -2.566 1.00 0.00 H new ATOM 0 HB3 HIS B 24 7.282 -11.811 -3.581 1.00 0.00 H new ATOM 0 HD2 HIS B 24 8.934 -13.632 -0.579 1.00 0.00 H new ATOM 0 HE1 HIS B 24 5.248 -15.551 -1.278 1.00 0.00 H new ATOM 0 HE2 HIS B 24 7.213 -15.406 0.329 1.00 0.00 H new ATOM 1498 N GLY B 25 7.318 -13.827 -5.822 1.00 0.00 N ATOM 1499 CA GLY B 25 6.539 -14.858 -6.444 1.00 0.00 C ATOM 1500 C GLY B 25 5.371 -14.309 -7.210 1.00 0.00 C ATOM 1501 O GLY B 25 4.785 -15.015 -8.031 1.00 0.00 O ATOM 0 H GLY B 25 7.084 -12.875 -6.105 1.00 0.00 H new ATOM 0 HA2 GLY B 25 7.174 -15.433 -7.118 1.00 0.00 H new ATOM 0 HA3 GLY B 25 6.178 -15.547 -5.681 1.00 0.00 H new ATOM 1505 N LEU B 26 5.023 -13.049 -6.933 1.00 0.00 N ATOM 1506 CA LEU B 26 3.942 -12.366 -7.596 1.00 0.00 C ATOM 1507 C LEU B 26 4.066 -12.405 -9.094 1.00 0.00 C ATOM 1508 O LEU B 26 5.134 -12.164 -9.659 1.00 0.00 O ATOM 1509 CB LEU B 26 3.868 -10.928 -7.127 1.00 0.00 C ATOM 1510 CG LEU B 26 3.149 -10.661 -5.812 1.00 0.00 C ATOM 1511 CD1 LEU B 26 3.761 -11.383 -4.649 1.00 0.00 C ATOM 1512 CD2 LEU B 26 3.021 -9.175 -5.567 1.00 0.00 C ATOM 0 H LEU B 26 5.498 -12.480 -6.232 1.00 0.00 H new ATOM 0 HA LEU B 26 3.025 -12.892 -7.331 1.00 0.00 H new ATOM 0 HB2 LEU B 26 4.886 -10.549 -7.038 1.00 0.00 H new ATOM 0 HB3 LEU B 26 3.377 -10.344 -7.905 1.00 0.00 H new ATOM 0 HG LEU B 26 2.144 -11.073 -5.905 1.00 0.00 H new ATOM 0 HD11 LEU B 26 3.203 -11.151 -3.742 1.00 0.00 H new ATOM 0 HD12 LEU B 26 3.729 -12.457 -4.830 1.00 0.00 H new ATOM 0 HD13 LEU B 26 4.797 -11.066 -4.528 1.00 0.00 H new ATOM 0 HD21 LEU B 26 2.504 -9.005 -4.622 1.00 0.00 H new ATOM 0 HD22 LEU B 26 4.014 -8.727 -5.524 1.00 0.00 H new ATOM 0 HD23 LEU B 26 2.453 -8.720 -6.378 1.00 0.00 H new ATOM 1524 N ASP B 27 2.970 -12.705 -9.716 1.00 0.00 N ATOM 1525 CA ASP B 27 2.898 -12.796 -11.166 1.00 0.00 C ATOM 1526 C ASP B 27 2.627 -11.399 -11.697 1.00 0.00 C ATOM 1527 O ASP B 27 2.489 -10.463 -10.902 1.00 0.00 O ATOM 1528 CB ASP B 27 1.754 -13.732 -11.578 1.00 0.00 C ATOM 1529 CG ASP B 27 1.918 -14.331 -12.966 1.00 0.00 C ATOM 1530 OD1 ASP B 27 1.700 -13.628 -13.972 1.00 0.00 O ATOM 1531 OD2 ASP B 27 2.255 -15.531 -13.067 1.00 0.00 O ATOM 0 H ASP B 27 2.087 -12.897 -9.243 1.00 0.00 H new ATOM 0 HA ASP B 27 3.830 -13.193 -11.569 1.00 0.00 H new ATOM 0 HB2 ASP B 27 1.679 -14.540 -10.851 1.00 0.00 H new ATOM 0 HB3 ASP B 27 0.815 -13.181 -11.540 1.00 0.00 H new ATOM 1536 N HIS B 28 2.474 -11.263 -12.992 1.00 0.00 N ATOM 1537 CA HIS B 28 2.253 -9.966 -13.625 1.00 0.00 C ATOM 1538 C HIS B 28 0.976 -9.334 -13.113 1.00 0.00 C ATOM 1539 O HIS B 28 0.924 -8.128 -12.876 1.00 0.00 O ATOM 1540 CB HIS B 28 2.212 -10.089 -15.160 1.00 0.00 C ATOM 1541 CG HIS B 28 3.540 -10.398 -15.803 1.00 0.00 C ATOM 1542 ND1 HIS B 28 3.951 -9.869 -17.007 1.00 0.00 N ATOM 1543 CD2 HIS B 28 4.540 -11.215 -15.399 1.00 0.00 C ATOM 1544 CE1 HIS B 28 5.153 -10.365 -17.294 1.00 0.00 C ATOM 1545 NE2 HIS B 28 5.564 -11.193 -16.343 1.00 0.00 N ATOM 0 H HIS B 28 2.498 -12.045 -13.647 1.00 0.00 H new ATOM 0 HA HIS B 28 3.093 -9.323 -13.362 1.00 0.00 H new ATOM 0 HB2 HIS B 28 1.503 -10.871 -15.429 1.00 0.00 H new ATOM 0 HB3 HIS B 28 1.831 -9.156 -15.576 1.00 0.00 H new ATOM 0 HD2 HIS B 28 4.544 -11.794 -14.487 1.00 0.00 H new ATOM 0 HE1 HIS B 28 5.718 -10.125 -18.183 1.00 0.00 H new ATOM 0 HE2 HIS B 28 6.445 -11.706 -16.310 1.00 0.00 H new ATOM 1553 N ASP B 29 -0.026 -10.165 -12.869 1.00 0.00 N ATOM 1554 CA ASP B 29 -1.311 -9.682 -12.383 1.00 0.00 C ATOM 1555 C ASP B 29 -1.180 -9.224 -10.947 1.00 0.00 C ATOM 1556 O ASP B 29 -1.699 -8.191 -10.565 1.00 0.00 O ATOM 1557 CB ASP B 29 -2.406 -10.760 -12.491 1.00 0.00 C ATOM 1558 CG ASP B 29 -2.160 -11.955 -11.592 1.00 0.00 C ATOM 1559 OD1 ASP B 29 -1.385 -12.842 -11.977 1.00 0.00 O ATOM 1560 OD2 ASP B 29 -2.704 -12.009 -10.476 1.00 0.00 O ATOM 0 H ASP B 29 0.025 -11.175 -12.999 1.00 0.00 H new ATOM 0 HA ASP B 29 -1.608 -8.842 -13.011 1.00 0.00 H new ATOM 0 HB2 ASP B 29 -3.369 -10.316 -12.239 1.00 0.00 H new ATOM 0 HB3 ASP B 29 -2.472 -11.099 -13.525 1.00 0.00 H new ATOM 1565 N LYS B 30 -0.422 -9.970 -10.180 1.00 0.00 N ATOM 1566 CA LYS B 30 -0.209 -9.694 -8.784 1.00 0.00 C ATOM 1567 C LYS B 30 0.469 -8.366 -8.588 1.00 0.00 C ATOM 1568 O LYS B 30 0.113 -7.619 -7.691 1.00 0.00 O ATOM 1569 CB LYS B 30 0.591 -10.809 -8.154 1.00 0.00 C ATOM 1570 CG LYS B 30 -0.175 -12.099 -7.986 1.00 0.00 C ATOM 1571 CD LYS B 30 -1.145 -12.005 -6.822 1.00 0.00 C ATOM 1572 CE LYS B 30 -2.179 -13.112 -6.862 1.00 0.00 C ATOM 1573 NZ LYS B 30 -3.037 -13.037 -8.063 1.00 0.00 N ATOM 0 H LYS B 30 0.071 -10.798 -10.515 1.00 0.00 H new ATOM 0 HA LYS B 30 -1.180 -9.639 -8.291 1.00 0.00 H new ATOM 0 HB2 LYS B 30 1.473 -11.000 -8.766 1.00 0.00 H new ATOM 0 HB3 LYS B 30 0.946 -10.480 -7.177 1.00 0.00 H new ATOM 0 HG2 LYS B 30 -0.721 -12.325 -8.902 1.00 0.00 H new ATOM 0 HG3 LYS B 30 0.521 -12.921 -7.819 1.00 0.00 H new ATOM 0 HD2 LYS B 30 -0.593 -12.057 -5.884 1.00 0.00 H new ATOM 0 HD3 LYS B 30 -1.647 -11.038 -6.844 1.00 0.00 H new ATOM 0 HE2 LYS B 30 -1.675 -14.078 -6.839 1.00 0.00 H new ATOM 0 HE3 LYS B 30 -2.802 -13.056 -5.969 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 -4.003 -12.771 -7.784 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 -2.657 -12.324 -8.717 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 -3.056 -13.964 -8.534 1.00 0.00 H new ATOM 1587 N VAL B 31 1.403 -8.052 -9.464 1.00 0.00 N ATOM 1588 CA VAL B 31 2.104 -6.791 -9.394 1.00 0.00 C ATOM 1589 C VAL B 31 1.127 -5.647 -9.706 1.00 0.00 C ATOM 1590 O VAL B 31 1.192 -4.583 -9.100 1.00 0.00 O ATOM 1591 CB VAL B 31 3.320 -6.755 -10.367 1.00 0.00 C ATOM 1592 CG1 VAL B 31 4.137 -5.484 -10.205 1.00 0.00 C ATOM 1593 CG2 VAL B 31 4.184 -7.979 -10.174 1.00 0.00 C ATOM 0 H VAL B 31 1.692 -8.656 -10.233 1.00 0.00 H new ATOM 0 HA VAL B 31 2.496 -6.670 -8.384 1.00 0.00 H new ATOM 0 HB VAL B 31 2.930 -6.759 -11.385 1.00 0.00 H new ATOM 0 HG11 VAL B 31 4.975 -5.499 -10.902 1.00 0.00 H new ATOM 0 HG12 VAL B 31 3.508 -4.618 -10.413 1.00 0.00 H new ATOM 0 HG13 VAL B 31 4.515 -5.422 -9.184 1.00 0.00 H new ATOM 0 HG21 VAL B 31 5.029 -7.940 -10.861 1.00 0.00 H new ATOM 0 HG22 VAL B 31 4.551 -8.007 -9.148 1.00 0.00 H new ATOM 0 HG23 VAL B 31 3.596 -8.875 -10.374 1.00 0.00 H new ATOM 1603 N LEU B 32 0.187 -5.907 -10.608 1.00 0.00 N ATOM 1604 CA LEU B 32 -0.815 -4.919 -10.998 1.00 0.00 C ATOM 1605 C LEU B 32 -1.802 -4.655 -9.870 1.00 0.00 C ATOM 1606 O LEU B 32 -2.033 -3.498 -9.508 1.00 0.00 O ATOM 1607 CB LEU B 32 -1.549 -5.357 -12.263 1.00 0.00 C ATOM 1608 CG LEU B 32 -0.678 -5.563 -13.502 1.00 0.00 C ATOM 1609 CD1 LEU B 32 -1.519 -6.021 -14.664 1.00 0.00 C ATOM 1610 CD2 LEU B 32 0.079 -4.291 -13.862 1.00 0.00 C ATOM 0 H LEU B 32 0.097 -6.803 -11.088 1.00 0.00 H new ATOM 0 HA LEU B 32 -0.292 -3.986 -11.210 1.00 0.00 H new ATOM 0 HB2 LEU B 32 -2.073 -6.289 -12.052 1.00 0.00 H new ATOM 0 HB3 LEU B 32 -2.308 -4.611 -12.496 1.00 0.00 H new ATOM 0 HG LEU B 32 0.055 -6.336 -13.273 1.00 0.00 H new ATOM 0 HD11 LEU B 32 -0.884 -6.163 -15.539 1.00 0.00 H new ATOM 0 HD12 LEU B 32 -2.006 -6.963 -14.412 1.00 0.00 H new ATOM 0 HD13 LEU B 32 -2.276 -5.269 -14.884 1.00 0.00 H new ATOM 0 HD21 LEU B 32 0.690 -4.469 -14.747 1.00 0.00 H new ATOM 0 HD22 LEU B 32 -0.632 -3.490 -14.067 1.00 0.00 H new ATOM 0 HD23 LEU B 32 0.722 -4.002 -13.030 1.00 0.00 H new ATOM 1622 N LEU B 33 -2.368 -5.720 -9.300 1.00 0.00 N ATOM 1623 CA LEU B 33 -3.304 -5.570 -8.183 1.00 0.00 C ATOM 1624 C LEU B 33 -2.621 -4.947 -6.975 1.00 0.00 C ATOM 1625 O LEU B 33 -3.169 -4.047 -6.343 1.00 0.00 O ATOM 1626 CB LEU B 33 -3.998 -6.892 -7.768 1.00 0.00 C ATOM 1627 CG LEU B 33 -5.141 -7.452 -8.640 1.00 0.00 C ATOM 1628 CD1 LEU B 33 -6.219 -6.422 -8.899 1.00 0.00 C ATOM 1629 CD2 LEU B 33 -4.650 -8.086 -9.921 1.00 0.00 C ATOM 0 H LEU B 33 -2.198 -6.684 -9.588 1.00 0.00 H new ATOM 0 HA LEU B 33 -4.085 -4.904 -8.549 1.00 0.00 H new ATOM 0 HB2 LEU B 33 -3.228 -7.660 -7.705 1.00 0.00 H new ATOM 0 HB3 LEU B 33 -4.392 -6.753 -6.761 1.00 0.00 H new ATOM 0 HG LEU B 33 -5.595 -8.254 -8.057 1.00 0.00 H new ATOM 0 HD11 LEU B 33 -7.002 -6.862 -9.517 1.00 0.00 H new ATOM 0 HD12 LEU B 33 -6.646 -6.095 -7.951 1.00 0.00 H new ATOM 0 HD13 LEU B 33 -5.787 -5.565 -9.417 1.00 0.00 H new ATOM 0 HD21 LEU B 33 -5.500 -8.461 -10.491 1.00 0.00 H new ATOM 0 HD22 LEU B 33 -4.116 -7.343 -10.513 1.00 0.00 H new ATOM 0 HD23 LEU B 33 -3.979 -8.912 -9.684 1.00 0.00 H new ATOM 1641 N PHE B 34 -1.411 -5.394 -6.683 1.00 0.00 N ATOM 1642 CA PHE B 34 -0.679 -4.898 -5.535 1.00 0.00 C ATOM 1643 C PHE B 34 -0.366 -3.413 -5.656 1.00 0.00 C ATOM 1644 O PHE B 34 -0.682 -2.645 -4.759 1.00 0.00 O ATOM 1645 CB PHE B 34 0.609 -5.703 -5.299 1.00 0.00 C ATOM 1646 CG PHE B 34 1.439 -5.182 -4.163 1.00 0.00 C ATOM 1647 CD1 PHE B 34 1.058 -5.407 -2.854 1.00 0.00 C ATOM 1648 CD2 PHE B 34 2.590 -4.453 -4.407 1.00 0.00 C ATOM 1649 CE1 PHE B 34 1.806 -4.912 -1.815 1.00 0.00 C ATOM 1650 CE2 PHE B 34 3.340 -3.961 -3.366 1.00 0.00 C ATOM 1651 CZ PHE B 34 2.947 -4.190 -2.074 1.00 0.00 C ATOM 0 H PHE B 34 -0.916 -6.101 -7.227 1.00 0.00 H new ATOM 0 HA PHE B 34 -1.328 -5.030 -4.669 1.00 0.00 H new ATOM 0 HB2 PHE B 34 0.348 -6.742 -5.101 1.00 0.00 H new ATOM 0 HB3 PHE B 34 1.207 -5.693 -6.210 1.00 0.00 H new ATOM 0 HD1 PHE B 34 0.164 -5.977 -2.647 1.00 0.00 H new ATOM 0 HD2 PHE B 34 2.901 -4.269 -5.425 1.00 0.00 H new ATOM 0 HE1 PHE B 34 1.499 -5.090 -0.795 1.00 0.00 H new ATOM 0 HE2 PHE B 34 4.238 -3.395 -3.566 1.00 0.00 H new ATOM 0 HZ PHE B 34 3.536 -3.802 -1.256 1.00 0.00 H new ATOM 1661 N SER B 35 0.218 -3.017 -6.773 1.00 0.00 N ATOM 1662 CA SER B 35 0.658 -1.644 -6.967 1.00 0.00 C ATOM 1663 C SER B 35 -0.487 -0.637 -6.873 1.00 0.00 C ATOM 1664 O SER B 35 -0.310 0.452 -6.341 1.00 0.00 O ATOM 1665 CB SER B 35 1.405 -1.516 -8.290 1.00 0.00 C ATOM 1666 OG SER B 35 0.618 -2.020 -9.358 1.00 0.00 O ATOM 0 H SER B 35 0.400 -3.632 -7.566 1.00 0.00 H new ATOM 0 HA SER B 35 1.339 -1.401 -6.152 1.00 0.00 H new ATOM 0 HB2 SER B 35 1.652 -0.471 -8.475 1.00 0.00 H new ATOM 0 HB3 SER B 35 2.347 -2.061 -8.236 1.00 0.00 H new ATOM 0 HG SER B 35 0.956 -2.900 -9.627 1.00 0.00 H new ATOM 1672 N ARG B 36 -1.662 -1.019 -7.350 1.00 0.00 N ATOM 1673 CA ARG B 36 -2.807 -0.125 -7.329 1.00 0.00 C ATOM 1674 C ARG B 36 -3.431 -0.056 -5.932 1.00 0.00 C ATOM 1675 O ARG B 36 -3.854 1.010 -5.482 1.00 0.00 O ATOM 1676 CB ARG B 36 -3.843 -0.534 -8.393 1.00 0.00 C ATOM 1677 CG ARG B 36 -4.459 -1.898 -8.178 1.00 0.00 C ATOM 1678 CD ARG B 36 -5.297 -2.337 -9.354 1.00 0.00 C ATOM 1679 NE ARG B 36 -6.463 -1.470 -9.589 1.00 0.00 N ATOM 1680 CZ ARG B 36 -7.274 -1.569 -10.661 1.00 0.00 C ATOM 1681 NH1 ARG B 36 -7.029 -2.479 -11.604 1.00 0.00 N ATOM 1682 NH2 ARG B 36 -8.330 -0.779 -10.781 1.00 0.00 N ATOM 0 H ARG B 36 -1.846 -1.937 -7.754 1.00 0.00 H new ATOM 0 HA ARG B 36 -2.457 0.877 -7.577 1.00 0.00 H new ATOM 0 HB2 ARG B 36 -4.639 0.211 -8.412 1.00 0.00 H new ATOM 0 HB3 ARG B 36 -3.365 -0.516 -9.373 1.00 0.00 H new ATOM 0 HG2 ARG B 36 -3.669 -2.628 -8.004 1.00 0.00 H new ATOM 0 HG3 ARG B 36 -5.077 -1.878 -7.281 1.00 0.00 H new ATOM 0 HD2 ARG B 36 -4.676 -2.351 -10.250 1.00 0.00 H new ATOM 0 HD3 ARG B 36 -5.639 -3.358 -9.187 1.00 0.00 H new ATOM 0 HE ARG B 36 -6.670 -0.749 -8.898 1.00 0.00 H new ATOM 0 HH11 ARG B 36 -6.226 -3.102 -11.515 1.00 0.00 H new ATOM 0 HH12 ARG B 36 -7.644 -2.552 -12.414 1.00 0.00 H new ATOM 0 HH21 ARG B 36 -8.535 -0.089 -10.059 1.00 0.00 H new ATOM 0 HH22 ARG B 36 -8.938 -0.861 -11.596 1.00 0.00 H new ATOM 1696 N ASP B 37 -3.430 -1.178 -5.222 1.00 0.00 N ATOM 1697 CA ASP B 37 -4.037 -1.228 -3.894 1.00 0.00 C ATOM 1698 C ASP B 37 -3.110 -0.521 -2.913 1.00 0.00 C ATOM 1699 O ASP B 37 -3.542 0.122 -1.962 1.00 0.00 O ATOM 1700 CB ASP B 37 -4.288 -2.681 -3.477 1.00 0.00 C ATOM 1701 CG ASP B 37 -5.469 -2.823 -2.541 1.00 0.00 C ATOM 1702 OD1 ASP B 37 -6.598 -2.489 -2.954 1.00 0.00 O ATOM 1703 OD2 ASP B 37 -5.325 -3.337 -1.418 1.00 0.00 O ATOM 0 H ASP B 37 -3.021 -2.057 -5.538 1.00 0.00 H new ATOM 0 HA ASP B 37 -5.003 -0.723 -3.902 1.00 0.00 H new ATOM 0 HB2 ASP B 37 -4.460 -3.286 -4.367 1.00 0.00 H new ATOM 0 HB3 ASP B 37 -3.395 -3.075 -2.992 1.00 0.00 H new ATOM 1708 N LEU B 38 -1.828 -0.625 -3.197 1.00 0.00 N ATOM 1709 CA LEU B 38 -0.783 0.073 -2.476 1.00 0.00 C ATOM 1710 C LEU B 38 -0.883 1.571 -2.732 1.00 0.00 C ATOM 1711 O LEU B 38 -0.866 2.373 -1.803 1.00 0.00 O ATOM 1712 CB LEU B 38 0.581 -0.472 -2.942 1.00 0.00 C ATOM 1713 CG LEU B 38 1.852 0.269 -2.513 1.00 0.00 C ATOM 1714 CD1 LEU B 38 1.958 0.378 -1.016 1.00 0.00 C ATOM 1715 CD2 LEU B 38 3.066 -0.440 -3.066 1.00 0.00 C ATOM 0 H LEU B 38 -1.475 -1.211 -3.954 1.00 0.00 H new ATOM 0 HA LEU B 38 -0.892 -0.091 -1.404 1.00 0.00 H new ATOM 0 HB2 LEU B 38 0.664 -1.501 -2.592 1.00 0.00 H new ATOM 0 HB3 LEU B 38 0.569 -0.506 -4.031 1.00 0.00 H new ATOM 0 HG LEU B 38 1.801 1.281 -2.914 1.00 0.00 H new ATOM 0 HD11 LEU B 38 2.873 0.910 -0.754 1.00 0.00 H new ATOM 0 HD12 LEU B 38 1.097 0.924 -0.629 1.00 0.00 H new ATOM 0 HD13 LEU B 38 1.981 -0.620 -0.579 1.00 0.00 H new ATOM 0 HD21 LEU B 38 3.968 0.090 -2.759 1.00 0.00 H new ATOM 0 HD22 LEU B 38 3.097 -1.460 -2.684 1.00 0.00 H new ATOM 0 HD23 LEU B 38 3.011 -0.461 -4.154 1.00 0.00 H new ATOM 1727 N ASP B 39 -1.019 1.924 -3.996 1.00 0.00 N ATOM 1728 CA ASP B 39 -1.088 3.321 -4.426 1.00 0.00 C ATOM 1729 C ASP B 39 -2.254 4.046 -3.765 1.00 0.00 C ATOM 1730 O ASP B 39 -2.092 5.155 -3.256 1.00 0.00 O ATOM 1731 CB ASP B 39 -1.197 3.405 -5.954 1.00 0.00 C ATOM 1732 CG ASP B 39 -1.166 4.816 -6.486 1.00 0.00 C ATOM 1733 OD1 ASP B 39 -0.056 5.397 -6.616 1.00 0.00 O ATOM 1734 OD2 ASP B 39 -2.225 5.356 -6.831 1.00 0.00 O ATOM 0 H ASP B 39 -1.086 1.253 -4.761 1.00 0.00 H new ATOM 0 HA ASP B 39 -0.168 3.815 -4.113 1.00 0.00 H new ATOM 0 HB2 ASP B 39 -0.378 2.840 -6.400 1.00 0.00 H new ATOM 0 HB3 ASP B 39 -2.124 2.927 -6.270 1.00 0.00 H new ATOM 1739 N LYS B 40 -3.410 3.386 -3.718 1.00 0.00 N ATOM 1740 CA LYS B 40 -4.605 3.981 -3.124 1.00 0.00 C ATOM 1741 C LYS B 40 -4.400 4.211 -1.619 1.00 0.00 C ATOM 1742 O LYS B 40 -4.836 5.216 -1.072 1.00 0.00 O ATOM 1743 CB LYS B 40 -5.850 3.087 -3.334 1.00 0.00 C ATOM 1744 CG LYS B 40 -5.995 1.954 -2.325 1.00 0.00 C ATOM 1745 CD LYS B 40 -7.157 1.041 -2.582 1.00 0.00 C ATOM 1746 CE LYS B 40 -7.345 0.121 -1.385 1.00 0.00 C ATOM 1747 NZ LYS B 40 -8.289 -0.974 -1.647 1.00 0.00 N ATOM 0 H LYS B 40 -3.544 2.443 -4.083 1.00 0.00 H new ATOM 0 HA LYS B 40 -4.772 4.935 -3.624 1.00 0.00 H new ATOM 0 HB2 LYS B 40 -6.742 3.712 -3.289 1.00 0.00 H new ATOM 0 HB3 LYS B 40 -5.810 2.660 -4.336 1.00 0.00 H new ATOM 0 HG2 LYS B 40 -5.078 1.364 -2.325 1.00 0.00 H new ATOM 0 HG3 LYS B 40 -6.099 2.382 -1.328 1.00 0.00 H new ATOM 0 HD2 LYS B 40 -8.062 1.624 -2.753 1.00 0.00 H new ATOM 0 HD3 LYS B 40 -6.981 0.454 -3.483 1.00 0.00 H new ATOM 0 HE2 LYS B 40 -6.380 -0.298 -1.101 1.00 0.00 H new ATOM 0 HE3 LYS B 40 -7.701 0.705 -0.537 1.00 0.00 H new ATOM 0 HZ1 LYS B 40 -8.429 -1.527 -0.778 1.00 0.00 H new ATOM 0 HZ2 LYS B 40 -9.200 -0.580 -1.957 1.00 0.00 H new ATOM 0 HZ3 LYS B 40 -7.907 -1.591 -2.392 1.00 0.00 H new ATOM 1761 N LEU B 41 -3.712 3.266 -0.967 1.00 0.00 N ATOM 1762 CA LEU B 41 -3.476 3.308 0.462 1.00 0.00 C ATOM 1763 C LEU B 41 -2.560 4.447 0.780 1.00 0.00 C ATOM 1764 O LEU B 41 -2.721 5.141 1.782 1.00 0.00 O ATOM 1765 CB LEU B 41 -2.871 1.976 0.939 1.00 0.00 C ATOM 1766 CG LEU B 41 -2.507 1.876 2.425 1.00 0.00 C ATOM 1767 CD1 LEU B 41 -3.730 2.072 3.306 1.00 0.00 C ATOM 1768 CD2 LEU B 41 -1.837 0.550 2.722 1.00 0.00 C ATOM 0 H LEU B 41 -3.306 2.451 -1.427 1.00 0.00 H new ATOM 0 HA LEU B 41 -4.422 3.457 0.982 1.00 0.00 H new ATOM 0 HB2 LEU B 41 -3.578 1.179 0.708 1.00 0.00 H new ATOM 0 HB3 LEU B 41 -1.971 1.783 0.355 1.00 0.00 H new ATOM 0 HG LEU B 41 -1.802 2.676 2.652 1.00 0.00 H new ATOM 0 HD11 LEU B 41 -3.440 1.995 4.354 1.00 0.00 H new ATOM 0 HD12 LEU B 41 -4.159 3.057 3.119 1.00 0.00 H new ATOM 0 HD13 LEU B 41 -4.470 1.305 3.078 1.00 0.00 H new ATOM 0 HD21 LEU B 41 -1.586 0.498 3.782 1.00 0.00 H new ATOM 0 HD22 LEU B 41 -2.515 -0.265 2.469 1.00 0.00 H new ATOM 0 HD23 LEU B 41 -0.927 0.461 2.129 1.00 0.00 H new ATOM 1780 N ILE B 42 -1.650 4.673 -0.106 1.00 0.00 N ATOM 1781 CA ILE B 42 -0.704 5.729 0.069 1.00 0.00 C ATOM 1782 C ILE B 42 -1.374 7.056 -0.155 1.00 0.00 C ATOM 1783 O ILE B 42 -1.334 7.903 0.719 1.00 0.00 O ATOM 1784 CB ILE B 42 0.557 5.553 -0.805 1.00 0.00 C ATOM 1785 CG1 ILE B 42 1.291 4.297 -0.345 1.00 0.00 C ATOM 1786 CG2 ILE B 42 1.475 6.778 -0.710 1.00 0.00 C ATOM 1787 CD1 ILE B 42 2.549 3.999 -1.093 1.00 0.00 C ATOM 0 H ILE B 42 -1.539 4.137 -0.967 1.00 0.00 H new ATOM 0 HA ILE B 42 -0.346 5.693 1.098 1.00 0.00 H new ATOM 0 HB ILE B 42 0.261 5.452 -1.849 1.00 0.00 H new ATOM 0 HG12 ILE B 42 1.530 4.400 0.714 1.00 0.00 H new ATOM 0 HG13 ILE B 42 0.618 3.445 -0.439 1.00 0.00 H new ATOM 0 HG21 ILE B 42 2.354 6.624 -1.336 1.00 0.00 H new ATOM 0 HG22 ILE B 42 0.937 7.663 -1.051 1.00 0.00 H new ATOM 0 HG23 ILE B 42 1.787 6.919 0.325 1.00 0.00 H new ATOM 0 HD11 ILE B 42 3.001 3.090 -0.697 1.00 0.00 H new ATOM 0 HD12 ILE B 42 2.320 3.860 -2.150 1.00 0.00 H new ATOM 0 HD13 ILE B 42 3.246 4.830 -0.979 1.00 0.00 H new ATOM 1799 N ASN B 43 -2.072 7.198 -1.278 1.00 0.00 N ATOM 1800 CA ASN B 43 -2.786 8.447 -1.604 1.00 0.00 C ATOM 1801 C ASN B 43 -3.776 8.810 -0.506 1.00 0.00 C ATOM 1802 O ASN B 43 -3.963 9.991 -0.180 1.00 0.00 O ATOM 1803 CB ASN B 43 -3.519 8.353 -2.942 1.00 0.00 C ATOM 1804 CG ASN B 43 -2.604 8.172 -4.135 1.00 0.00 C ATOM 1805 OD1 ASN B 43 -1.449 8.603 -4.132 1.00 0.00 O ATOM 1806 ND2 ASN B 43 -3.109 7.556 -5.160 1.00 0.00 N ATOM 0 H ASN B 43 -2.164 6.467 -1.984 1.00 0.00 H new ATOM 0 HA ASN B 43 -2.031 9.230 -1.682 1.00 0.00 H new ATOM 0 HB2 ASN B 43 -4.218 7.518 -2.903 1.00 0.00 H new ATOM 0 HB3 ASN B 43 -4.110 9.257 -3.085 1.00 0.00 H new ATOM 0 HD21 ASN B 43 -2.546 7.415 -5.999 1.00 0.00 H new ATOM 0 HD22 ASN B 43 -4.069 7.213 -5.127 1.00 0.00 H new ATOM 1813 N LYS B 44 -4.386 7.781 0.078 1.00 0.00 N ATOM 1814 CA LYS B 44 -5.296 7.922 1.205 1.00 0.00 C ATOM 1815 C LYS B 44 -4.603 8.659 2.357 1.00 0.00 C ATOM 1816 O LYS B 44 -5.103 9.678 2.837 1.00 0.00 O ATOM 1817 CB LYS B 44 -5.750 6.536 1.685 1.00 0.00 C ATOM 1818 CG LYS B 44 -6.740 6.554 2.846 1.00 0.00 C ATOM 1819 CD LYS B 44 -7.014 5.153 3.376 1.00 0.00 C ATOM 1820 CE LYS B 44 -7.704 4.269 2.345 1.00 0.00 C ATOM 1821 NZ LYS B 44 -9.038 4.780 1.965 1.00 0.00 N ATOM 0 H LYS B 44 -4.259 6.815 -0.224 1.00 0.00 H new ATOM 0 HA LYS B 44 -6.164 8.498 0.883 1.00 0.00 H new ATOM 0 HB2 LYS B 44 -6.204 6.007 0.847 1.00 0.00 H new ATOM 0 HB3 LYS B 44 -4.871 5.965 1.984 1.00 0.00 H new ATOM 0 HG2 LYS B 44 -6.347 7.176 3.650 1.00 0.00 H new ATOM 0 HG3 LYS B 44 -7.675 7.009 2.519 1.00 0.00 H new ATOM 0 HD2 LYS B 44 -6.074 4.691 3.677 1.00 0.00 H new ATOM 0 HD3 LYS B 44 -7.636 5.220 4.268 1.00 0.00 H new ATOM 0 HE2 LYS B 44 -7.079 4.198 1.455 1.00 0.00 H new ATOM 0 HE3 LYS B 44 -7.805 3.260 2.745 1.00 0.00 H new ATOM 0 HZ1 LYS B 44 -9.541 4.058 1.411 1.00 0.00 H new ATOM 0 HZ2 LYS B 44 -9.583 5.000 2.823 1.00 0.00 H new ATOM 0 HZ3 LYS B 44 -8.930 5.642 1.393 1.00 0.00 H new ATOM 1835 N PHE B 45 -3.433 8.162 2.750 1.00 0.00 N ATOM 1836 CA PHE B 45 -2.672 8.744 3.849 1.00 0.00 C ATOM 1837 C PHE B 45 -1.963 10.033 3.461 1.00 0.00 C ATOM 1838 O PHE B 45 -1.662 10.869 4.314 1.00 0.00 O ATOM 1839 CB PHE B 45 -1.708 7.743 4.469 1.00 0.00 C ATOM 1840 CG PHE B 45 -2.382 6.759 5.381 1.00 0.00 C ATOM 1841 CD1 PHE B 45 -2.951 5.599 4.891 1.00 0.00 C ATOM 1842 CD2 PHE B 45 -2.462 7.016 6.736 1.00 0.00 C ATOM 1843 CE1 PHE B 45 -3.576 4.708 5.738 1.00 0.00 C ATOM 1844 CE2 PHE B 45 -3.085 6.133 7.586 1.00 0.00 C ATOM 1845 CZ PHE B 45 -3.648 4.979 7.086 1.00 0.00 C ATOM 0 H PHE B 45 -2.990 7.351 2.319 1.00 0.00 H new ATOM 0 HA PHE B 45 -3.404 9.010 4.611 1.00 0.00 H new ATOM 0 HB2 PHE B 45 -1.197 7.200 3.674 1.00 0.00 H new ATOM 0 HB3 PHE B 45 -0.944 8.283 5.029 1.00 0.00 H new ATOM 0 HD1 PHE B 45 -2.906 5.388 3.833 1.00 0.00 H new ATOM 0 HD2 PHE B 45 -2.029 7.923 7.133 1.00 0.00 H new ATOM 0 HE1 PHE B 45 -4.008 3.800 5.345 1.00 0.00 H new ATOM 0 HE2 PHE B 45 -3.133 6.344 8.644 1.00 0.00 H new ATOM 0 HZ PHE B 45 -4.145 4.288 7.751 1.00 0.00 H new ATOM 1855 N MET B 46 -1.713 10.196 2.171 1.00 0.00 N ATOM 1856 CA MET B 46 -1.141 11.436 1.616 1.00 0.00 C ATOM 1857 C MET B 46 -2.206 12.531 1.630 1.00 0.00 C ATOM 1858 O MET B 46 -1.926 13.688 1.329 1.00 0.00 O ATOM 1859 CB MET B 46 -0.667 11.215 0.170 1.00 0.00 C ATOM 1860 CG MET B 46 0.433 10.177 0.008 1.00 0.00 C ATOM 1861 SD MET B 46 1.984 10.627 0.779 1.00 0.00 S ATOM 1862 CE MET B 46 2.454 11.980 -0.271 1.00 0.00 C ATOM 0 H MET B 46 -1.897 9.478 1.470 1.00 0.00 H new ATOM 0 HA MET B 46 -0.287 11.731 2.226 1.00 0.00 H new ATOM 0 HB2 MET B 46 -1.522 10.914 -0.435 1.00 0.00 H new ATOM 0 HB3 MET B 46 -0.312 12.165 -0.230 1.00 0.00 H new ATOM 0 HG2 MET B 46 0.091 9.232 0.430 1.00 0.00 H new ATOM 0 HG3 MET B 46 0.604 10.008 -1.055 1.00 0.00 H new ATOM 0 HE1 MET B 46 3.462 12.307 -0.014 1.00 0.00 H new ATOM 0 HE2 MET B 46 2.431 11.658 -1.312 1.00 0.00 H new ATOM 0 HE3 MET B 46 1.758 12.807 -0.132 1.00 0.00 H new