USER MOD reduce.3.24.130724 H: found=0, std=0, add=764, rem=0, adj=20 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= -0.105 X(o=-1.3,f=-1.4) USER MOD Set 1.2: B 46 MET CE :methyl 169:sc= -1.19 (180deg=-1.35) USER MOD Set 2.1: A 46 MET CE :methyl 159:sc= -1.08 (180deg=-1.72) USER MOD Set 2.2: B 24 HIS : no HD1:sc= -0.284 X(o=-1.4,f=-1.5) USER MOD Set 3.1: B 8 ASN : amide:sc= 1.07 K(o=2.2,f=-5.4) USER MOD Set 3.2: B 9 LYS NZ :NH3+ -149:sc= 1.13 (180deg=-0.353) USER MOD Single : A 5 GLN : amide:sc= -0.798 K(o=-0.8,f=-4.5!) USER MOD Single : A 7 LYS NZ :NH3+ 169:sc= 1.29 (180deg=1.25) USER MOD Single : A 8 ASN : amide:sc=-0.00235 X(o=-0.0023,f=-0.42) USER MOD Single : A 9 LYS NZ :NH3+ -174:sc=-0.00291 (180deg=-0.0983) USER MOD Single : A 12 ASN : amide:sc= 0 X(o=0,f=-0.088) USER MOD Single : A 13 LYS NZ :NH3+ 169:sc= 1.25 (180deg=0.979) USER MOD Single : A 14 LYS NZ :NH3+ 175:sc= 1.28 (180deg=1.25) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= 0.485 X(o=0.48,f=0) USER MOD Single : A 28 HIS : no HD1:sc= 0 X(o=0,f=-0.0048) USER MOD Single : A 30 LYS NZ :NH3+ -164:sc= 1.73 (180deg=1.52) USER MOD Single : A 35 SER OG : rot -83:sc= 1.27 USER MOD Single : A 40 LYS NZ :NH3+ 170:sc=-0.00266 (180deg=-0.145) USER MOD Single : A 43 ASN : amide:sc= 0.63 K(o=0.63,f=-0.31) USER MOD Single : A 44 LYS NZ :NH3+ -171:sc=-0.00857 (180deg=-0.0927) USER MOD Single : B 7 LYS NZ :NH3+ 150:sc= 1.2 (180deg=0.951) USER MOD Single : B 12 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 13 LYS NZ :NH3+ 155:sc= 1.21 (180deg=0.926) USER MOD Single : B 14 LYS NZ :NH3+ -149:sc= 2.04 (180deg=1.08) USER MOD Single : B 15 LYS NZ :NH3+ -142:sc= -0.347 (180deg=-2.14!) USER MOD Single : B 19 GLN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD Single : B 28 HIS : no HD1:sc=-0.000763 X(o=-0.00076,f=-0.041) USER MOD Single : B 30 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0737) USER MOD Single : B 35 SER OG : rot -78:sc= 1.25 USER MOD Single : B 40 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00596) USER MOD Single : B 43 ASN : amide:sc= 1.21 K(o=1.2,f=-0.082) USER MOD Single : B 44 LYS NZ :NH3+ -170:sc=-0.00601 (180deg=-0.0965) USER MOD ----------------------------------------------------------------- ATOM 59 N GLN A 5 15.910 -13.266 3.870 1.00 0.00 N ATOM 60 CA GLN A 5 16.611 -12.023 3.539 1.00 0.00 C ATOM 61 C GLN A 5 15.855 -11.238 2.481 1.00 0.00 C ATOM 62 O GLN A 5 15.883 -10.011 2.474 1.00 0.00 O ATOM 63 CB GLN A 5 18.042 -12.301 3.083 1.00 0.00 C ATOM 64 CG GLN A 5 18.958 -12.784 4.192 1.00 0.00 C ATOM 65 CD GLN A 5 19.331 -11.684 5.186 1.00 0.00 C ATOM 66 OE1 GLN A 5 18.591 -10.723 5.405 1.00 0.00 O ATOM 67 NE2 GLN A 5 20.472 -11.813 5.790 1.00 0.00 N ATOM 0 HA GLN A 5 16.657 -11.418 4.445 1.00 0.00 H new ATOM 0 HB2 GLN A 5 18.021 -13.049 2.290 1.00 0.00 H new ATOM 0 HB3 GLN A 5 18.459 -11.391 2.652 1.00 0.00 H new ATOM 0 HG2 GLN A 5 18.471 -13.599 4.728 1.00 0.00 H new ATOM 0 HG3 GLN A 5 19.868 -13.191 3.751 1.00 0.00 H new ATOM 0 HE21 GLN A 5 21.066 -12.618 5.591 1.00 0.00 H new ATOM 0 HE22 GLN A 5 20.775 -11.110 6.464 1.00 0.00 H new ATOM 76 N LEU A 6 15.175 -11.955 1.600 1.00 0.00 N ATOM 77 CA LEU A 6 14.330 -11.345 0.585 1.00 0.00 C ATOM 78 C LEU A 6 13.169 -10.618 1.279 1.00 0.00 C ATOM 79 O LEU A 6 12.929 -9.440 1.028 1.00 0.00 O ATOM 80 CB LEU A 6 13.853 -12.440 -0.424 1.00 0.00 C ATOM 81 CG LEU A 6 12.980 -12.032 -1.649 1.00 0.00 C ATOM 82 CD1 LEU A 6 11.532 -11.791 -1.267 1.00 0.00 C ATOM 83 CD2 LEU A 6 13.560 -10.812 -2.356 1.00 0.00 C ATOM 0 H LEU A 6 15.193 -12.974 1.568 1.00 0.00 H new ATOM 0 HA LEU A 6 14.881 -10.604 0.006 1.00 0.00 H new ATOM 0 HB2 LEU A 6 14.743 -12.938 -0.809 1.00 0.00 H new ATOM 0 HB3 LEU A 6 13.292 -13.183 0.143 1.00 0.00 H new ATOM 0 HG LEU A 6 12.997 -12.873 -2.342 1.00 0.00 H new ATOM 0 HD11 LEU A 6 10.964 -11.509 -2.154 1.00 0.00 H new ATOM 0 HD12 LEU A 6 11.112 -12.702 -0.841 1.00 0.00 H new ATOM 0 HD13 LEU A 6 11.478 -10.988 -0.532 1.00 0.00 H new ATOM 0 HD21 LEU A 6 12.930 -10.551 -3.206 1.00 0.00 H new ATOM 0 HD22 LEU A 6 13.598 -9.973 -1.661 1.00 0.00 H new ATOM 0 HD23 LEU A 6 14.567 -11.039 -2.707 1.00 0.00 H new ATOM 95 N LYS A 7 12.494 -11.315 2.192 1.00 0.00 N ATOM 96 CA LYS A 7 11.400 -10.732 2.970 1.00 0.00 C ATOM 97 C LYS A 7 11.907 -9.586 3.830 1.00 0.00 C ATOM 98 O LYS A 7 11.216 -8.602 4.031 1.00 0.00 O ATOM 99 CB LYS A 7 10.730 -11.797 3.850 1.00 0.00 C ATOM 100 CG LYS A 7 9.269 -12.075 3.504 1.00 0.00 C ATOM 101 CD LYS A 7 8.325 -10.915 3.882 1.00 0.00 C ATOM 102 CE LYS A 7 8.133 -10.793 5.396 1.00 0.00 C ATOM 103 NZ LYS A 7 7.130 -9.752 5.761 1.00 0.00 N ATOM 0 H LYS A 7 12.687 -12.292 2.413 1.00 0.00 H new ATOM 0 HA LYS A 7 10.659 -10.343 2.272 1.00 0.00 H new ATOM 0 HB2 LYS A 7 11.293 -12.726 3.767 1.00 0.00 H new ATOM 0 HB3 LYS A 7 10.790 -11.480 4.891 1.00 0.00 H new ATOM 0 HG2 LYS A 7 9.186 -12.269 2.435 1.00 0.00 H new ATOM 0 HG3 LYS A 7 8.946 -12.980 4.018 1.00 0.00 H new ATOM 0 HD2 LYS A 7 8.728 -9.980 3.492 1.00 0.00 H new ATOM 0 HD3 LYS A 7 7.356 -11.068 3.406 1.00 0.00 H new ATOM 0 HE2 LYS A 7 7.816 -11.755 5.798 1.00 0.00 H new ATOM 0 HE3 LYS A 7 9.088 -10.552 5.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 6.898 -9.833 6.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 7.524 -8.809 5.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 6.268 -9.887 5.196 1.00 0.00 H new ATOM 117 N ASN A 8 13.125 -9.724 4.305 1.00 0.00 N ATOM 118 CA ASN A 8 13.779 -8.726 5.139 1.00 0.00 C ATOM 119 C ASN A 8 14.020 -7.452 4.314 1.00 0.00 C ATOM 120 O ASN A 8 13.807 -6.348 4.794 1.00 0.00 O ATOM 121 CB ASN A 8 15.107 -9.288 5.667 1.00 0.00 C ATOM 122 CG ASN A 8 15.708 -8.521 6.839 1.00 0.00 C ATOM 123 OD1 ASN A 8 15.490 -7.321 7.019 1.00 0.00 O ATOM 124 ND2 ASN A 8 16.493 -9.208 7.626 1.00 0.00 N ATOM 0 H ASN A 8 13.703 -10.545 4.123 1.00 0.00 H new ATOM 0 HA ASN A 8 13.143 -8.479 5.989 1.00 0.00 H new ATOM 0 HB2 ASN A 8 14.951 -10.323 5.971 1.00 0.00 H new ATOM 0 HB3 ASN A 8 15.830 -9.300 4.851 1.00 0.00 H new ATOM 0 HD21 ASN A 8 16.947 -8.752 8.418 1.00 0.00 H new ATOM 0 HD22 ASN A 8 16.652 -10.200 7.449 1.00 0.00 H new ATOM 131 N LYS A 9 14.441 -7.620 3.050 1.00 0.00 N ATOM 132 CA LYS A 9 14.620 -6.480 2.135 1.00 0.00 C ATOM 133 C LYS A 9 13.271 -5.835 1.836 1.00 0.00 C ATOM 134 O LYS A 9 13.176 -4.622 1.663 1.00 0.00 O ATOM 135 CB LYS A 9 15.288 -6.893 0.808 1.00 0.00 C ATOM 136 CG LYS A 9 16.728 -7.390 0.912 1.00 0.00 C ATOM 137 CD LYS A 9 17.649 -6.343 1.527 1.00 0.00 C ATOM 138 CE LYS A 9 19.110 -6.778 1.481 1.00 0.00 C ATOM 139 NZ LYS A 9 19.339 -8.077 2.148 1.00 0.00 N ATOM 0 H LYS A 9 14.663 -8.527 2.640 1.00 0.00 H new ATOM 0 HA LYS A 9 15.278 -5.769 2.635 1.00 0.00 H new ATOM 0 HB2 LYS A 9 14.686 -7.677 0.349 1.00 0.00 H new ATOM 0 HB3 LYS A 9 15.267 -6.038 0.132 1.00 0.00 H new ATOM 0 HG2 LYS A 9 16.756 -8.297 1.516 1.00 0.00 H new ATOM 0 HG3 LYS A 9 17.093 -7.656 -0.080 1.00 0.00 H new ATOM 0 HD2 LYS A 9 17.534 -5.399 0.994 1.00 0.00 H new ATOM 0 HD3 LYS A 9 17.356 -6.163 2.561 1.00 0.00 H new ATOM 0 HE2 LYS A 9 19.432 -6.846 0.442 1.00 0.00 H new ATOM 0 HE3 LYS A 9 19.727 -6.016 1.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 20.359 -8.277 2.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 18.965 -8.040 3.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 18.854 -8.829 1.619 1.00 0.00 H new ATOM 153 N ILE A 10 12.242 -6.656 1.768 1.00 0.00 N ATOM 154 CA ILE A 10 10.880 -6.183 1.577 1.00 0.00 C ATOM 155 C ILE A 10 10.453 -5.340 2.770 1.00 0.00 C ATOM 156 O ILE A 10 9.920 -4.242 2.599 1.00 0.00 O ATOM 157 CB ILE A 10 9.898 -7.368 1.342 1.00 0.00 C ATOM 158 CG1 ILE A 10 10.208 -8.012 -0.010 1.00 0.00 C ATOM 159 CG2 ILE A 10 8.432 -6.928 1.426 1.00 0.00 C ATOM 160 CD1 ILE A 10 9.358 -9.206 -0.345 1.00 0.00 C ATOM 0 H ILE A 10 12.323 -7.670 1.843 1.00 0.00 H new ATOM 0 HA ILE A 10 10.851 -5.560 0.683 1.00 0.00 H new ATOM 0 HB ILE A 10 10.042 -8.101 2.135 1.00 0.00 H new ATOM 0 HG12 ILE A 10 10.083 -7.263 -0.792 1.00 0.00 H new ATOM 0 HG13 ILE A 10 11.255 -8.313 -0.022 1.00 0.00 H new ATOM 0 HG21 ILE A 10 7.784 -7.788 1.256 1.00 0.00 H new ATOM 0 HG22 ILE A 10 8.233 -6.513 2.414 1.00 0.00 H new ATOM 0 HG23 ILE A 10 8.236 -6.170 0.668 1.00 0.00 H new ATOM 0 HD11 ILE A 10 9.648 -9.597 -1.320 1.00 0.00 H new ATOM 0 HD12 ILE A 10 9.500 -9.978 0.412 1.00 0.00 H new ATOM 0 HD13 ILE A 10 8.309 -8.911 -0.370 1.00 0.00 H new ATOM 172 N GLU A 11 10.717 -5.851 3.971 1.00 0.00 N ATOM 173 CA GLU A 11 10.458 -5.124 5.205 1.00 0.00 C ATOM 174 C GLU A 11 11.208 -3.817 5.186 1.00 0.00 C ATOM 175 O GLU A 11 10.644 -2.769 5.446 1.00 0.00 O ATOM 176 CB GLU A 11 10.884 -5.946 6.430 1.00 0.00 C ATOM 177 CG GLU A 11 10.097 -7.229 6.627 1.00 0.00 C ATOM 178 CD GLU A 11 8.632 -6.961 6.765 1.00 0.00 C ATOM 179 OE1 GLU A 11 8.199 -6.478 7.835 1.00 0.00 O ATOM 180 OE2 GLU A 11 7.864 -7.199 5.803 1.00 0.00 O ATOM 0 H GLU A 11 11.116 -6.779 4.112 1.00 0.00 H new ATOM 0 HA GLU A 11 9.387 -4.936 5.275 1.00 0.00 H new ATOM 0 HB2 GLU A 11 11.942 -6.193 6.337 1.00 0.00 H new ATOM 0 HB3 GLU A 11 10.778 -5.328 7.322 1.00 0.00 H new ATOM 0 HG2 GLU A 11 10.268 -7.895 5.781 1.00 0.00 H new ATOM 0 HG3 GLU A 11 10.458 -7.745 7.516 1.00 0.00 H new ATOM 187 N ASN A 12 12.458 -3.913 4.824 1.00 0.00 N ATOM 188 CA ASN A 12 13.380 -2.796 4.726 1.00 0.00 C ATOM 189 C ASN A 12 12.820 -1.683 3.838 1.00 0.00 C ATOM 190 O ASN A 12 12.687 -0.540 4.267 1.00 0.00 O ATOM 191 CB ASN A 12 14.692 -3.307 4.122 1.00 0.00 C ATOM 192 CG ASN A 12 15.783 -2.275 4.048 1.00 0.00 C ATOM 193 OD1 ASN A 12 15.911 -1.551 3.063 1.00 0.00 O ATOM 194 ND2 ASN A 12 16.606 -2.243 5.049 1.00 0.00 N ATOM 0 H ASN A 12 12.887 -4.805 4.577 1.00 0.00 H new ATOM 0 HA ASN A 12 13.539 -2.384 5.722 1.00 0.00 H new ATOM 0 HB2 ASN A 12 15.046 -4.151 4.714 1.00 0.00 H new ATOM 0 HB3 ASN A 12 14.494 -3.682 3.118 1.00 0.00 H new ATOM 0 HD21 ASN A 12 17.397 -1.599 5.038 1.00 0.00 H new ATOM 0 HD22 ASN A 12 16.463 -2.862 5.847 1.00 0.00 H new ATOM 201 N LYS A 13 12.436 -2.055 2.636 1.00 0.00 N ATOM 202 CA LYS A 13 11.979 -1.111 1.634 1.00 0.00 C ATOM 203 C LYS A 13 10.636 -0.509 2.037 1.00 0.00 C ATOM 204 O LYS A 13 10.402 0.688 1.870 1.00 0.00 O ATOM 205 CB LYS A 13 11.885 -1.827 0.285 1.00 0.00 C ATOM 206 CG LYS A 13 12.156 -0.948 -0.935 1.00 0.00 C ATOM 207 CD LYS A 13 13.532 -0.270 -0.847 1.00 0.00 C ATOM 208 CE LYS A 13 14.653 -1.250 -0.510 1.00 0.00 C ATOM 209 NZ LYS A 13 15.949 -0.566 -0.361 1.00 0.00 N ATOM 0 H LYS A 13 12.431 -3.026 2.323 1.00 0.00 H new ATOM 0 HA LYS A 13 12.690 -0.289 1.551 1.00 0.00 H new ATOM 0 HB2 LYS A 13 12.593 -2.656 0.281 1.00 0.00 H new ATOM 0 HB3 LYS A 13 10.889 -2.258 0.189 1.00 0.00 H new ATOM 0 HG2 LYS A 13 12.105 -1.554 -1.840 1.00 0.00 H new ATOM 0 HG3 LYS A 13 11.379 -0.188 -1.017 1.00 0.00 H new ATOM 0 HD2 LYS A 13 13.754 0.216 -1.797 1.00 0.00 H new ATOM 0 HD3 LYS A 13 13.499 0.512 -0.089 1.00 0.00 H new ATOM 0 HE2 LYS A 13 14.411 -1.776 0.414 1.00 0.00 H new ATOM 0 HE3 LYS A 13 14.727 -2.002 -1.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 16.644 -1.224 0.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 16.281 -0.245 -1.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 15.838 0.254 0.269 1.00 0.00 H new ATOM 223 N LYS A 14 9.783 -1.355 2.583 1.00 0.00 N ATOM 224 CA LYS A 14 8.498 -0.979 3.113 1.00 0.00 C ATOM 225 C LYS A 14 8.692 0.076 4.197 1.00 0.00 C ATOM 226 O LYS A 14 8.078 1.125 4.162 1.00 0.00 O ATOM 227 CB LYS A 14 7.843 -2.232 3.710 1.00 0.00 C ATOM 228 CG LYS A 14 6.440 -2.059 4.260 1.00 0.00 C ATOM 229 CD LYS A 14 5.916 -3.367 4.853 1.00 0.00 C ATOM 230 CE LYS A 14 6.648 -3.745 6.122 1.00 0.00 C ATOM 231 NZ LYS A 14 6.280 -5.099 6.600 1.00 0.00 N ATOM 0 H LYS A 14 9.977 -2.353 2.670 1.00 0.00 H new ATOM 0 HA LYS A 14 7.863 -0.566 2.329 1.00 0.00 H new ATOM 0 HB2 LYS A 14 7.816 -3.004 2.941 1.00 0.00 H new ATOM 0 HB3 LYS A 14 8.482 -2.603 4.512 1.00 0.00 H new ATOM 0 HG2 LYS A 14 6.439 -1.283 5.026 1.00 0.00 H new ATOM 0 HG3 LYS A 14 5.773 -1.724 3.466 1.00 0.00 H new ATOM 0 HD2 LYS A 14 4.851 -3.269 5.064 1.00 0.00 H new ATOM 0 HD3 LYS A 14 6.024 -4.167 4.120 1.00 0.00 H new ATOM 0 HE2 LYS A 14 7.723 -3.704 5.945 1.00 0.00 H new ATOM 0 HE3 LYS A 14 6.425 -3.014 6.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 6.867 -5.348 7.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 5.277 -5.109 6.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 6.438 -5.790 5.839 1.00 0.00 H new ATOM 245 N LYS A 15 9.593 -0.205 5.128 1.00 0.00 N ATOM 246 CA LYS A 15 9.886 0.691 6.239 1.00 0.00 C ATOM 247 C LYS A 15 10.510 1.991 5.759 1.00 0.00 C ATOM 248 O LYS A 15 10.241 3.050 6.326 1.00 0.00 O ATOM 249 CB LYS A 15 10.761 -0.001 7.284 1.00 0.00 C ATOM 250 CG LYS A 15 10.057 -1.170 7.969 1.00 0.00 C ATOM 251 CD LYS A 15 10.991 -1.974 8.859 1.00 0.00 C ATOM 252 CE LYS A 15 11.500 -1.163 10.041 1.00 0.00 C ATOM 253 NZ LYS A 15 12.407 -1.946 10.904 1.00 0.00 N ATOM 0 H LYS A 15 10.143 -1.064 5.134 1.00 0.00 H new ATOM 0 HA LYS A 15 8.940 0.948 6.716 1.00 0.00 H new ATOM 0 HB2 LYS A 15 11.672 -0.362 6.806 1.00 0.00 H new ATOM 0 HB3 LYS A 15 11.063 0.727 8.037 1.00 0.00 H new ATOM 0 HG2 LYS A 15 9.228 -0.790 8.567 1.00 0.00 H new ATOM 0 HG3 LYS A 15 9.629 -1.826 7.211 1.00 0.00 H new ATOM 0 HD2 LYS A 15 10.469 -2.858 9.225 1.00 0.00 H new ATOM 0 HD3 LYS A 15 11.838 -2.325 8.270 1.00 0.00 H new ATOM 0 HE2 LYS A 15 12.022 -0.279 9.675 1.00 0.00 H new ATOM 0 HE3 LYS A 15 10.653 -0.812 10.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 12.729 -1.354 11.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 11.902 -2.776 11.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 13.229 -2.260 10.349 1.00 0.00 H new ATOM 267 N GLU A 16 11.344 1.918 4.721 1.00 0.00 N ATOM 268 CA GLU A 16 11.891 3.123 4.108 1.00 0.00 C ATOM 269 C GLU A 16 10.763 4.003 3.598 1.00 0.00 C ATOM 270 O GLU A 16 10.741 5.209 3.833 1.00 0.00 O ATOM 271 CB GLU A 16 12.840 2.806 2.949 1.00 0.00 C ATOM 272 CG GLU A 16 14.172 2.214 3.331 1.00 0.00 C ATOM 273 CD GLU A 16 15.101 2.188 2.146 1.00 0.00 C ATOM 274 OE1 GLU A 16 15.545 3.269 1.713 1.00 0.00 O ATOM 275 OE2 GLU A 16 15.383 1.116 1.593 1.00 0.00 O ATOM 0 H GLU A 16 11.652 1.045 4.292 1.00 0.00 H new ATOM 0 HA GLU A 16 12.461 3.643 4.878 1.00 0.00 H new ATOM 0 HB2 GLU A 16 12.338 2.115 2.273 1.00 0.00 H new ATOM 0 HB3 GLU A 16 13.019 3.725 2.390 1.00 0.00 H new ATOM 0 HG2 GLU A 16 14.618 2.798 4.136 1.00 0.00 H new ATOM 0 HG3 GLU A 16 14.031 1.202 3.711 1.00 0.00 H new ATOM 282 N LEU A 17 9.809 3.375 2.956 1.00 0.00 N ATOM 283 CA LEU A 17 8.678 4.057 2.389 1.00 0.00 C ATOM 284 C LEU A 17 7.762 4.616 3.464 1.00 0.00 C ATOM 285 O LEU A 17 7.276 5.745 3.337 1.00 0.00 O ATOM 286 CB LEU A 17 7.948 3.122 1.387 1.00 0.00 C ATOM 287 CG LEU A 17 6.529 3.487 0.907 1.00 0.00 C ATOM 288 CD1 LEU A 17 5.474 3.143 1.926 1.00 0.00 C ATOM 289 CD2 LEU A 17 6.433 4.927 0.433 1.00 0.00 C ATOM 0 H LEU A 17 9.798 2.365 2.812 1.00 0.00 H new ATOM 0 HA LEU A 17 9.028 4.924 1.830 1.00 0.00 H new ATOM 0 HB2 LEU A 17 8.580 3.033 0.503 1.00 0.00 H new ATOM 0 HB3 LEU A 17 7.895 2.133 1.842 1.00 0.00 H new ATOM 0 HG LEU A 17 6.327 2.864 0.036 1.00 0.00 H new ATOM 0 HD11 LEU A 17 4.492 3.419 1.541 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.497 2.072 2.126 1.00 0.00 H new ATOM 0 HD13 LEU A 17 5.668 3.689 2.849 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.414 5.135 0.105 1.00 0.00 H new ATOM 0 HD22 LEU A 17 6.695 5.598 1.251 1.00 0.00 H new ATOM 0 HD23 LEU A 17 7.121 5.083 -0.398 1.00 0.00 H new ATOM 301 N ILE A 18 7.518 3.843 4.500 1.00 0.00 N ATOM 302 CA ILE A 18 6.638 4.280 5.569 1.00 0.00 C ATOM 303 C ILE A 18 7.174 5.572 6.180 1.00 0.00 C ATOM 304 O ILE A 18 6.435 6.521 6.383 1.00 0.00 O ATOM 305 CB ILE A 18 6.471 3.207 6.671 1.00 0.00 C ATOM 306 CG1 ILE A 18 5.881 1.934 6.078 1.00 0.00 C ATOM 307 CG2 ILE A 18 5.561 3.740 7.776 1.00 0.00 C ATOM 308 CD1 ILE A 18 5.951 0.737 6.995 1.00 0.00 C ATOM 0 H ILE A 18 7.914 2.912 4.627 1.00 0.00 H new ATOM 0 HA ILE A 18 5.654 4.452 5.133 1.00 0.00 H new ATOM 0 HB ILE A 18 7.449 2.976 7.094 1.00 0.00 H new ATOM 0 HG12 ILE A 18 4.839 2.117 5.816 1.00 0.00 H new ATOM 0 HG13 ILE A 18 6.406 1.700 5.152 1.00 0.00 H new ATOM 0 HG21 ILE A 18 5.446 2.981 8.550 1.00 0.00 H new ATOM 0 HG22 ILE A 18 6.003 4.637 8.210 1.00 0.00 H new ATOM 0 HG23 ILE A 18 4.584 3.982 7.358 1.00 0.00 H new ATOM 0 HD11 ILE A 18 5.511 -0.128 6.499 1.00 0.00 H new ATOM 0 HD12 ILE A 18 6.992 0.525 7.238 1.00 0.00 H new ATOM 0 HD13 ILE A 18 5.401 0.948 7.912 1.00 0.00 H new ATOM 320 N GLN A 19 8.476 5.604 6.394 1.00 0.00 N ATOM 321 CA GLN A 19 9.155 6.775 6.920 1.00 0.00 C ATOM 322 C GLN A 19 9.019 7.963 5.961 1.00 0.00 C ATOM 323 O GLN A 19 8.963 9.123 6.390 1.00 0.00 O ATOM 324 CB GLN A 19 10.615 6.460 7.185 1.00 0.00 C ATOM 325 CG GLN A 19 10.823 5.435 8.286 1.00 0.00 C ATOM 326 CD GLN A 19 12.265 5.025 8.427 1.00 0.00 C ATOM 327 OE1 GLN A 19 13.032 5.624 9.186 1.00 0.00 O ATOM 328 NE2 GLN A 19 12.648 4.018 7.701 1.00 0.00 N ATOM 0 H GLN A 19 9.096 4.816 6.207 1.00 0.00 H new ATOM 0 HA GLN A 19 8.684 7.052 7.863 1.00 0.00 H new ATOM 0 HB2 GLN A 19 11.072 6.092 6.266 1.00 0.00 H new ATOM 0 HB3 GLN A 19 11.134 7.380 7.453 1.00 0.00 H new ATOM 0 HG2 GLN A 19 10.471 5.846 9.232 1.00 0.00 H new ATOM 0 HG3 GLN A 19 10.217 4.554 8.077 1.00 0.00 H new ATOM 0 HE21 GLN A 19 11.982 3.550 7.086 1.00 0.00 H new ATOM 0 HE22 GLN A 19 13.615 3.695 7.746 1.00 0.00 H new ATOM 337 N LEU A 20 8.972 7.669 4.672 1.00 0.00 N ATOM 338 CA LEU A 20 8.799 8.687 3.655 1.00 0.00 C ATOM 339 C LEU A 20 7.390 9.286 3.702 1.00 0.00 C ATOM 340 O LEU A 20 7.252 10.507 3.753 1.00 0.00 O ATOM 341 CB LEU A 20 9.130 8.164 2.256 1.00 0.00 C ATOM 342 CG LEU A 20 10.575 7.717 2.017 1.00 0.00 C ATOM 343 CD1 LEU A 20 10.740 7.194 0.607 1.00 0.00 C ATOM 344 CD2 LEU A 20 11.545 8.859 2.269 1.00 0.00 C ATOM 0 H LEU A 20 9.053 6.721 4.305 1.00 0.00 H new ATOM 0 HA LEU A 20 9.510 9.483 3.877 1.00 0.00 H new ATOM 0 HB2 LEU A 20 8.473 7.321 2.043 1.00 0.00 H new ATOM 0 HB3 LEU A 20 8.891 8.945 1.534 1.00 0.00 H new ATOM 0 HG LEU A 20 10.801 6.914 2.719 1.00 0.00 H new ATOM 0 HD11 LEU A 20 11.773 6.881 0.454 1.00 0.00 H new ATOM 0 HD12 LEU A 20 10.076 6.343 0.455 1.00 0.00 H new ATOM 0 HD13 LEU A 20 10.490 7.981 -0.105 1.00 0.00 H new ATOM 0 HD21 LEU A 20 12.564 8.516 2.093 1.00 0.00 H new ATOM 0 HD22 LEU A 20 11.318 9.685 1.595 1.00 0.00 H new ATOM 0 HD23 LEU A 20 11.449 9.197 3.301 1.00 0.00 H new ATOM 356 N VAL A 21 6.334 8.453 3.679 1.00 0.00 N ATOM 357 CA VAL A 21 4.996 8.995 3.819 1.00 0.00 C ATOM 358 C VAL A 21 4.801 9.674 5.194 1.00 0.00 C ATOM 359 O VAL A 21 4.089 10.652 5.311 1.00 0.00 O ATOM 360 CB VAL A 21 3.899 7.936 3.589 1.00 0.00 C ATOM 361 CG1 VAL A 21 4.082 7.225 2.296 1.00 0.00 C ATOM 362 CG2 VAL A 21 3.751 6.963 4.722 1.00 0.00 C ATOM 0 H VAL A 21 6.388 7.440 3.568 1.00 0.00 H new ATOM 0 HA VAL A 21 4.893 9.748 3.038 1.00 0.00 H new ATOM 0 HB VAL A 21 2.964 8.495 3.545 1.00 0.00 H new ATOM 0 HG11 VAL A 21 3.289 6.487 2.171 1.00 0.00 H new ATOM 0 HG12 VAL A 21 4.042 7.943 1.477 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.049 6.723 2.291 1.00 0.00 H new ATOM 0 HG21 VAL A 21 2.961 6.249 4.488 1.00 0.00 H new ATOM 0 HG22 VAL A 21 4.690 6.430 4.869 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.494 7.502 5.634 1.00 0.00 H new ATOM 372 N ALA A 22 5.469 9.154 6.204 1.00 0.00 N ATOM 373 CA ALA A 22 5.382 9.665 7.554 1.00 0.00 C ATOM 374 C ALA A 22 5.894 11.094 7.649 1.00 0.00 C ATOM 375 O ALA A 22 5.233 11.964 8.217 1.00 0.00 O ATOM 376 CB ALA A 22 6.141 8.754 8.488 1.00 0.00 C ATOM 0 H ALA A 22 6.095 8.355 6.107 1.00 0.00 H new ATOM 0 HA ALA A 22 4.333 9.685 7.848 1.00 0.00 H new ATOM 0 HB1 ALA A 22 6.075 9.139 9.505 1.00 0.00 H new ATOM 0 HB2 ALA A 22 5.710 7.754 8.450 1.00 0.00 H new ATOM 0 HB3 ALA A 22 7.187 8.710 8.184 1.00 0.00 H new ATOM 382 N ARG A 23 7.044 11.343 7.040 1.00 0.00 N ATOM 383 CA ARG A 23 7.666 12.664 7.058 1.00 0.00 C ATOM 384 C ARG A 23 6.863 13.686 6.238 1.00 0.00 C ATOM 385 O ARG A 23 7.049 14.890 6.384 1.00 0.00 O ATOM 386 CB ARG A 23 9.146 12.597 6.646 1.00 0.00 C ATOM 387 CG ARG A 23 9.400 12.143 5.234 1.00 0.00 C ATOM 388 CD ARG A 23 10.872 11.846 5.004 1.00 0.00 C ATOM 389 NE ARG A 23 11.349 10.741 5.866 1.00 0.00 N ATOM 390 CZ ARG A 23 12.590 10.213 5.849 1.00 0.00 C ATOM 391 NH1 ARG A 23 13.498 10.647 4.982 1.00 0.00 N ATOM 392 NH2 ARG A 23 12.920 9.261 6.717 1.00 0.00 N ATOM 0 H ARG A 23 7.572 10.641 6.521 1.00 0.00 H new ATOM 0 HA ARG A 23 7.648 13.022 8.087 1.00 0.00 H new ATOM 0 HB2 ARG A 23 9.588 13.585 6.778 1.00 0.00 H new ATOM 0 HB3 ARG A 23 9.665 11.922 7.326 1.00 0.00 H new ATOM 0 HG2 ARG A 23 8.810 11.250 5.025 1.00 0.00 H new ATOM 0 HG3 ARG A 23 9.069 12.913 4.537 1.00 0.00 H new ATOM 0 HD2 ARG A 23 11.032 11.586 3.958 1.00 0.00 H new ATOM 0 HD3 ARG A 23 11.459 12.742 5.203 1.00 0.00 H new ATOM 0 HE ARG A 23 10.683 10.345 6.529 1.00 0.00 H new ATOM 0 HH11 ARG A 23 13.260 11.386 4.321 1.00 0.00 H new ATOM 0 HH12 ARG A 23 14.434 10.241 4.977 1.00 0.00 H new ATOM 0 HH21 ARG A 23 12.234 8.930 7.396 1.00 0.00 H new ATOM 0 HH22 ARG A 23 13.859 8.862 6.704 1.00 0.00 H new ATOM 406 N HIS A 24 5.991 13.181 5.356 1.00 0.00 N ATOM 407 CA HIS A 24 5.077 14.019 4.562 1.00 0.00 C ATOM 408 C HIS A 24 4.154 14.852 5.484 1.00 0.00 C ATOM 409 O HIS A 24 3.784 15.988 5.156 1.00 0.00 O ATOM 410 CB HIS A 24 4.226 13.129 3.610 1.00 0.00 C ATOM 411 CG HIS A 24 3.125 13.849 2.855 1.00 0.00 C ATOM 412 ND1 HIS A 24 1.820 13.948 3.297 1.00 0.00 N ATOM 413 CD2 HIS A 24 3.155 14.492 1.667 1.00 0.00 C ATOM 414 CE1 HIS A 24 1.123 14.625 2.395 1.00 0.00 C ATOM 415 NE2 HIS A 24 1.884 14.987 1.376 1.00 0.00 N ATOM 0 H HIS A 24 5.898 12.182 5.171 1.00 0.00 H new ATOM 0 HA HIS A 24 5.674 14.708 3.964 1.00 0.00 H new ATOM 0 HB2 HIS A 24 4.893 12.660 2.886 1.00 0.00 H new ATOM 0 HB3 HIS A 24 3.777 12.327 4.196 1.00 0.00 H new ATOM 0 HD2 HIS A 24 4.027 14.605 1.040 1.00 0.00 H new ATOM 0 HE1 HIS A 24 0.071 14.851 2.481 1.00 0.00 H new ATOM 0 HE2 HIS A 24 1.601 15.516 0.551 1.00 0.00 H new ATOM 423 N GLY A 25 3.800 14.304 6.625 1.00 0.00 N ATOM 424 CA GLY A 25 2.921 15.030 7.510 1.00 0.00 C ATOM 425 C GLY A 25 2.128 14.143 8.427 1.00 0.00 C ATOM 426 O GLY A 25 1.531 14.631 9.393 1.00 0.00 O ATOM 0 H GLY A 25 4.097 13.385 6.954 1.00 0.00 H new ATOM 0 HA2 GLY A 25 3.512 15.722 8.109 1.00 0.00 H new ATOM 0 HA3 GLY A 25 2.234 15.631 6.914 1.00 0.00 H new ATOM 430 N LEU A 26 2.106 12.849 8.129 1.00 0.00 N ATOM 431 CA LEU A 26 1.409 11.874 8.929 1.00 0.00 C ATOM 432 C LEU A 26 1.780 11.919 10.386 1.00 0.00 C ATOM 433 O LEU A 26 2.945 12.104 10.756 1.00 0.00 O ATOM 434 CB LEU A 26 1.651 10.474 8.412 1.00 0.00 C ATOM 435 CG LEU A 26 0.808 10.005 7.242 1.00 0.00 C ATOM 436 CD1 LEU A 26 1.072 10.776 5.977 1.00 0.00 C ATOM 437 CD2 LEU A 26 0.987 8.527 7.046 1.00 0.00 C ATOM 0 H LEU A 26 2.578 12.453 7.316 1.00 0.00 H new ATOM 0 HA LEU A 26 0.354 12.134 8.844 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.699 10.399 8.123 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.497 9.779 9.238 1.00 0.00 H new ATOM 0 HG LEU A 26 -0.235 10.204 7.487 1.00 0.00 H new ATOM 0 HD11 LEU A 26 0.438 10.392 5.178 1.00 0.00 H new ATOM 0 HD12 LEU A 26 0.851 11.831 6.141 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.119 10.664 5.695 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.379 8.195 6.204 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.036 8.311 6.843 1.00 0.00 H new ATOM 0 HD23 LEU A 26 0.676 8.000 7.948 1.00 0.00 H new ATOM 449 N ASP A 27 0.783 11.736 11.196 1.00 0.00 N ATOM 450 CA ASP A 27 0.942 11.683 12.635 1.00 0.00 C ATOM 451 C ASP A 27 1.427 10.287 12.962 1.00 0.00 C ATOM 452 O ASP A 27 1.386 9.410 12.092 1.00 0.00 O ATOM 453 CB ASP A 27 -0.398 11.890 13.349 1.00 0.00 C ATOM 454 CG ASP A 27 -1.217 13.052 12.855 1.00 0.00 C ATOM 455 OD1 ASP A 27 -1.035 14.182 13.332 1.00 0.00 O ATOM 456 OD2 ASP A 27 -2.099 12.839 11.991 1.00 0.00 O ATOM 0 H ASP A 27 -0.180 11.617 10.882 1.00 0.00 H new ATOM 0 HA ASP A 27 1.632 12.463 12.958 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -0.990 10.980 13.247 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -0.206 12.028 14.413 1.00 0.00 H new ATOM 461 N HIS A 28 1.819 10.039 14.191 1.00 0.00 N ATOM 462 CA HIS A 28 2.332 8.722 14.561 1.00 0.00 C ATOM 463 C HIS A 28 1.235 7.664 14.435 1.00 0.00 C ATOM 464 O HIS A 28 1.494 6.539 14.001 1.00 0.00 O ATOM 465 CB HIS A 28 2.916 8.724 15.975 1.00 0.00 C ATOM 466 CG HIS A 28 3.659 7.460 16.322 1.00 0.00 C ATOM 467 ND1 HIS A 28 3.302 6.601 17.340 1.00 0.00 N ATOM 468 CD2 HIS A 28 4.777 6.932 15.767 1.00 0.00 C ATOM 469 CE1 HIS A 28 4.188 5.611 17.374 1.00 0.00 C ATOM 470 NE2 HIS A 28 5.109 5.762 16.437 1.00 0.00 N ATOM 0 H HIS A 28 1.797 10.719 14.951 1.00 0.00 H new ATOM 0 HA HIS A 28 3.138 8.474 13.870 1.00 0.00 H new ATOM 0 HB2 HIS A 28 3.592 9.573 16.079 1.00 0.00 H new ATOM 0 HB3 HIS A 28 2.108 8.870 16.693 1.00 0.00 H new ATOM 0 HD2 HIS A 28 5.323 7.354 14.936 1.00 0.00 H new ATOM 0 HE1 HIS A 28 4.160 4.790 18.075 1.00 0.00 H new ATOM 0 HE2 HIS A 28 5.900 5.146 16.246 1.00 0.00 H new ATOM 478 N ASP A 29 0.005 8.052 14.764 1.00 0.00 N ATOM 479 CA ASP A 29 -1.146 7.152 14.665 1.00 0.00 C ATOM 480 C ASP A 29 -1.354 6.742 13.219 1.00 0.00 C ATOM 481 O ASP A 29 -1.642 5.590 12.926 1.00 0.00 O ATOM 482 CB ASP A 29 -2.437 7.792 15.230 1.00 0.00 C ATOM 483 CG ASP A 29 -2.972 8.966 14.420 1.00 0.00 C ATOM 484 OD1 ASP A 29 -2.471 10.077 14.570 1.00 0.00 O ATOM 485 OD2 ASP A 29 -3.896 8.787 13.604 1.00 0.00 O ATOM 0 H ASP A 29 -0.223 8.987 15.103 1.00 0.00 H new ATOM 0 HA ASP A 29 -0.931 6.271 15.270 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -3.210 7.026 15.289 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -2.244 8.129 16.249 1.00 0.00 H new ATOM 490 N LYS A 30 -1.129 7.685 12.320 1.00 0.00 N ATOM 491 CA LYS A 30 -1.264 7.459 10.891 1.00 0.00 C ATOM 492 C LYS A 30 -0.230 6.466 10.428 1.00 0.00 C ATOM 493 O LYS A 30 -0.523 5.575 9.642 1.00 0.00 O ATOM 494 CB LYS A 30 -1.066 8.753 10.118 1.00 0.00 C ATOM 495 CG LYS A 30 -2.007 9.865 10.486 1.00 0.00 C ATOM 496 CD LYS A 30 -3.446 9.488 10.270 1.00 0.00 C ATOM 497 CE LYS A 30 -4.362 10.611 10.711 1.00 0.00 C ATOM 498 NZ LYS A 30 -4.090 11.027 12.114 1.00 0.00 N ATOM 0 H LYS A 30 -0.846 8.634 12.562 1.00 0.00 H new ATOM 0 HA LYS A 30 -2.267 7.076 10.706 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -0.043 9.097 10.272 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -1.175 8.543 9.054 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -1.857 10.134 11.532 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -1.772 10.749 9.893 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -3.615 9.266 9.216 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -3.678 8.581 10.829 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -4.235 11.466 10.047 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -5.400 10.290 10.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -4.889 11.590 12.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -3.968 10.183 12.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -3.222 11.600 12.144 1.00 0.00 H new ATOM 512 N VAL A 31 0.972 6.610 10.953 1.00 0.00 N ATOM 513 CA VAL A 31 2.081 5.754 10.603 1.00 0.00 C ATOM 514 C VAL A 31 1.796 4.328 11.066 1.00 0.00 C ATOM 515 O VAL A 31 2.065 3.369 10.347 1.00 0.00 O ATOM 516 CB VAL A 31 3.409 6.286 11.206 1.00 0.00 C ATOM 517 CG1 VAL A 31 4.578 5.398 10.845 1.00 0.00 C ATOM 518 CG2 VAL A 31 3.663 7.703 10.731 1.00 0.00 C ATOM 0 H VAL A 31 1.204 7.329 11.638 1.00 0.00 H new ATOM 0 HA VAL A 31 2.196 5.753 9.519 1.00 0.00 H new ATOM 0 HB VAL A 31 3.310 6.281 12.292 1.00 0.00 H new ATOM 0 HG11 VAL A 31 5.490 5.801 11.284 1.00 0.00 H new ATOM 0 HG12 VAL A 31 4.404 4.393 11.229 1.00 0.00 H new ATOM 0 HG13 VAL A 31 4.684 5.359 9.761 1.00 0.00 H new ATOM 0 HG21 VAL A 31 4.597 8.068 11.159 1.00 0.00 H new ATOM 0 HG22 VAL A 31 3.733 7.715 9.643 1.00 0.00 H new ATOM 0 HG23 VAL A 31 2.842 8.346 11.049 1.00 0.00 H new ATOM 528 N LEU A 32 1.206 4.208 12.242 1.00 0.00 N ATOM 529 CA LEU A 32 0.799 2.917 12.790 1.00 0.00 C ATOM 530 C LEU A 32 -0.244 2.280 11.912 1.00 0.00 C ATOM 531 O LEU A 32 -0.111 1.125 11.550 1.00 0.00 O ATOM 532 CB LEU A 32 0.268 3.080 14.208 1.00 0.00 C ATOM 533 CG LEU A 32 1.250 3.667 15.218 1.00 0.00 C ATOM 534 CD1 LEU A 32 0.607 3.762 16.573 1.00 0.00 C ATOM 535 CD2 LEU A 32 2.526 2.842 15.285 1.00 0.00 C ATOM 0 H LEU A 32 0.993 5.001 12.848 1.00 0.00 H new ATOM 0 HA LEU A 32 1.673 2.267 12.822 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -0.615 3.718 14.175 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.057 2.104 14.569 1.00 0.00 H new ATOM 0 HG LEU A 32 1.520 4.670 14.888 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.318 4.182 17.284 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.271 4.405 16.515 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.307 2.768 16.904 1.00 0.00 H new ATOM 0 HD21 LEU A 32 3.207 3.284 16.013 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.285 1.823 15.586 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.002 2.828 14.305 1.00 0.00 H new ATOM 547 N LEU A 33 -1.247 3.048 11.538 1.00 0.00 N ATOM 548 CA LEU A 33 -2.330 2.562 10.688 1.00 0.00 C ATOM 549 C LEU A 33 -1.818 2.177 9.308 1.00 0.00 C ATOM 550 O LEU A 33 -2.181 1.131 8.768 1.00 0.00 O ATOM 551 CB LEU A 33 -3.413 3.619 10.547 1.00 0.00 C ATOM 552 CG LEU A 33 -4.080 4.095 11.841 1.00 0.00 C ATOM 553 CD1 LEU A 33 -4.983 5.285 11.564 1.00 0.00 C ATOM 554 CD2 LEU A 33 -4.868 2.968 12.494 1.00 0.00 C ATOM 0 H LEU A 33 -1.340 4.026 11.811 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.748 1.676 11.165 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -2.980 4.486 10.048 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.188 3.227 9.889 1.00 0.00 H new ATOM 0 HG LEU A 33 -3.297 4.405 12.533 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.450 5.612 12.493 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.392 6.101 11.148 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -5.756 4.997 10.851 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.332 3.332 13.411 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -5.642 2.621 11.809 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -4.196 2.143 12.730 1.00 0.00 H new ATOM 566 N PHE A 34 -0.973 3.007 8.757 1.00 0.00 N ATOM 567 CA PHE A 34 -0.429 2.771 7.451 1.00 0.00 C ATOM 568 C PHE A 34 0.462 1.533 7.440 1.00 0.00 C ATOM 569 O PHE A 34 0.277 0.657 6.614 1.00 0.00 O ATOM 570 CB PHE A 34 0.317 4.009 6.940 1.00 0.00 C ATOM 571 CG PHE A 34 0.919 3.841 5.576 1.00 0.00 C ATOM 572 CD1 PHE A 34 0.120 3.835 4.446 1.00 0.00 C ATOM 573 CD2 PHE A 34 2.279 3.674 5.427 1.00 0.00 C ATOM 574 CE1 PHE A 34 0.672 3.670 3.197 1.00 0.00 C ATOM 575 CE2 PHE A 34 2.834 3.508 4.185 1.00 0.00 C ATOM 576 CZ PHE A 34 2.031 3.505 3.071 1.00 0.00 C ATOM 0 H PHE A 34 -0.644 3.864 9.202 1.00 0.00 H new ATOM 0 HA PHE A 34 -1.257 2.579 6.769 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -0.372 4.853 6.920 1.00 0.00 H new ATOM 0 HB3 PHE A 34 1.108 4.261 7.646 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -0.948 3.961 4.546 1.00 0.00 H new ATOM 0 HD2 PHE A 34 2.915 3.674 6.300 1.00 0.00 H new ATOM 0 HE1 PHE A 34 0.041 3.670 2.320 1.00 0.00 H new ATOM 0 HE2 PHE A 34 3.901 3.380 4.082 1.00 0.00 H new ATOM 0 HZ PHE A 34 2.469 3.373 2.093 1.00 0.00 H new ATOM 586 N SER A 35 1.383 1.443 8.391 1.00 0.00 N ATOM 587 CA SER A 35 2.325 0.331 8.443 1.00 0.00 C ATOM 588 C SER A 35 1.627 -1.027 8.590 1.00 0.00 C ATOM 589 O SER A 35 1.999 -1.994 7.921 1.00 0.00 O ATOM 590 CB SER A 35 3.357 0.551 9.555 1.00 0.00 C ATOM 591 OG SER A 35 2.723 0.819 10.795 1.00 0.00 O ATOM 0 H SER A 35 1.498 2.128 9.138 1.00 0.00 H new ATOM 0 HA SER A 35 2.846 0.306 7.486 1.00 0.00 H new ATOM 0 HB2 SER A 35 3.988 -0.333 9.649 1.00 0.00 H new ATOM 0 HB3 SER A 35 4.010 1.382 9.290 1.00 0.00 H new ATOM 0 HG SER A 35 2.493 1.770 10.846 1.00 0.00 H new ATOM 597 N ARG A 36 0.595 -1.080 9.426 1.00 0.00 N ATOM 598 CA ARG A 36 -0.125 -2.322 9.664 1.00 0.00 C ATOM 599 C ARG A 36 -0.938 -2.747 8.453 1.00 0.00 C ATOM 600 O ARG A 36 -0.964 -3.936 8.103 1.00 0.00 O ATOM 601 CB ARG A 36 -1.003 -2.226 10.916 1.00 0.00 C ATOM 602 CG ARG A 36 -1.976 -1.075 10.899 1.00 0.00 C ATOM 603 CD ARG A 36 -2.675 -0.908 12.216 1.00 0.00 C ATOM 604 NE ARG A 36 -3.681 -1.946 12.431 1.00 0.00 N ATOM 605 CZ ARG A 36 -4.144 -2.328 13.616 1.00 0.00 C ATOM 606 NH1 ARG A 36 -3.425 -2.113 14.723 1.00 0.00 N ATOM 607 NH2 ARG A 36 -5.286 -3.003 13.691 1.00 0.00 N ATOM 0 H ARG A 36 0.241 -0.278 9.948 1.00 0.00 H new ATOM 0 HA ARG A 36 0.622 -3.097 9.839 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -1.560 -3.156 11.029 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -0.360 -2.131 11.791 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -1.445 -0.156 10.652 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -2.715 -1.237 10.115 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -1.943 -0.939 13.023 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -3.150 0.072 12.254 1.00 0.00 H new ATOM 0 HE ARG A 36 -4.057 -2.414 11.606 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -2.516 -1.654 14.660 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -3.785 -2.408 15.630 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -5.803 -3.226 12.841 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -5.645 -3.298 14.599 1.00 0.00 H new ATOM 621 N ASP A 37 -1.578 -1.790 7.791 1.00 0.00 N ATOM 622 CA ASP A 37 -2.392 -2.129 6.635 1.00 0.00 C ATOM 623 C ASP A 37 -1.509 -2.455 5.456 1.00 0.00 C ATOM 624 O ASP A 37 -1.789 -3.379 4.695 1.00 0.00 O ATOM 625 CB ASP A 37 -3.373 -1.022 6.276 1.00 0.00 C ATOM 626 CG ASP A 37 -4.412 -1.503 5.288 1.00 0.00 C ATOM 627 OD1 ASP A 37 -5.112 -2.497 5.589 1.00 0.00 O ATOM 628 OD2 ASP A 37 -4.593 -0.880 4.239 1.00 0.00 O ATOM 0 H ASP A 37 -1.550 -0.798 8.028 1.00 0.00 H new ATOM 0 HA ASP A 37 -2.982 -3.007 6.897 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -3.866 -0.664 7.180 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -2.831 -0.176 5.853 1.00 0.00 H new ATOM 633 N LEU A 38 -0.423 -1.711 5.331 1.00 0.00 N ATOM 634 CA LEU A 38 0.580 -1.933 4.300 1.00 0.00 C ATOM 635 C LEU A 38 1.200 -3.313 4.439 1.00 0.00 C ATOM 636 O LEU A 38 1.331 -4.036 3.455 1.00 0.00 O ATOM 637 CB LEU A 38 1.659 -0.835 4.362 1.00 0.00 C ATOM 638 CG LEU A 38 2.904 -1.016 3.486 1.00 0.00 C ATOM 639 CD1 LEU A 38 2.542 -1.191 2.037 1.00 0.00 C ATOM 640 CD2 LEU A 38 3.823 0.169 3.648 1.00 0.00 C ATOM 0 H LEU A 38 -0.210 -0.927 5.948 1.00 0.00 H new ATOM 0 HA LEU A 38 0.094 -1.883 3.326 1.00 0.00 H new ATOM 0 HB2 LEU A 38 1.192 0.112 4.091 1.00 0.00 H new ATOM 0 HB3 LEU A 38 1.987 -0.744 5.398 1.00 0.00 H new ATOM 0 HG LEU A 38 3.414 -1.922 3.814 1.00 0.00 H new ATOM 0 HD11 LEU A 38 3.450 -1.316 1.448 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.911 -2.073 1.923 1.00 0.00 H new ATOM 0 HD13 LEU A 38 2.002 -0.311 1.688 1.00 0.00 H new ATOM 0 HD21 LEU A 38 4.705 0.033 3.023 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.301 1.078 3.347 1.00 0.00 H new ATOM 0 HD23 LEU A 38 4.127 0.254 4.691 1.00 0.00 H new ATOM 652 N ASP A 39 1.560 -3.682 5.667 1.00 0.00 N ATOM 653 CA ASP A 39 2.141 -5.000 5.938 1.00 0.00 C ATOM 654 C ASP A 39 1.190 -6.085 5.479 1.00 0.00 C ATOM 655 O ASP A 39 1.565 -6.965 4.716 1.00 0.00 O ATOM 656 CB ASP A 39 2.457 -5.173 7.431 1.00 0.00 C ATOM 657 CG ASP A 39 3.115 -6.505 7.750 1.00 0.00 C ATOM 658 OD1 ASP A 39 4.345 -6.624 7.577 1.00 0.00 O ATOM 659 OD2 ASP A 39 2.425 -7.441 8.188 1.00 0.00 O ATOM 0 H ASP A 39 1.461 -3.089 6.491 1.00 0.00 H new ATOM 0 HA ASP A 39 3.077 -5.080 5.385 1.00 0.00 H new ATOM 0 HB2 ASP A 39 3.112 -4.364 7.754 1.00 0.00 H new ATOM 0 HB3 ASP A 39 1.534 -5.084 8.004 1.00 0.00 H new ATOM 664 N LYS A 40 -0.063 -5.958 5.882 1.00 0.00 N ATOM 665 CA LYS A 40 -1.088 -6.918 5.516 1.00 0.00 C ATOM 666 C LYS A 40 -1.397 -6.912 4.026 1.00 0.00 C ATOM 667 O LYS A 40 -1.704 -7.950 3.468 1.00 0.00 O ATOM 668 CB LYS A 40 -2.353 -6.717 6.330 1.00 0.00 C ATOM 669 CG LYS A 40 -2.181 -7.045 7.792 1.00 0.00 C ATOM 670 CD LYS A 40 -3.468 -6.860 8.563 1.00 0.00 C ATOM 671 CE LYS A 40 -3.297 -7.275 10.016 1.00 0.00 C ATOM 672 NZ LYS A 40 -2.302 -6.453 10.731 1.00 0.00 N ATOM 0 H LYS A 40 -0.396 -5.192 6.468 1.00 0.00 H new ATOM 0 HA LYS A 40 -0.681 -7.901 5.751 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -2.678 -5.681 6.233 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -3.146 -7.340 5.916 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -1.840 -8.075 7.896 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -1.406 -6.408 8.219 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -3.779 -5.817 8.513 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -4.260 -7.451 8.103 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -4.257 -7.200 10.526 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -2.995 -8.321 10.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -2.346 -6.662 11.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -1.350 -6.671 10.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -2.508 -5.445 10.575 1.00 0.00 H new ATOM 686 N LEU A 41 -1.308 -5.752 3.388 1.00 0.00 N ATOM 687 CA LEU A 41 -1.535 -5.650 1.948 1.00 0.00 C ATOM 688 C LEU A 41 -0.454 -6.415 1.214 1.00 0.00 C ATOM 689 O LEU A 41 -0.723 -7.129 0.250 1.00 0.00 O ATOM 690 CB LEU A 41 -1.559 -4.181 1.488 1.00 0.00 C ATOM 691 CG LEU A 41 -1.681 -3.931 -0.030 1.00 0.00 C ATOM 692 CD1 LEU A 41 -2.965 -4.518 -0.602 1.00 0.00 C ATOM 693 CD2 LEU A 41 -1.586 -2.449 -0.339 1.00 0.00 C ATOM 0 H LEU A 41 -1.080 -4.868 3.843 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.509 -6.082 1.718 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -2.393 -3.683 1.983 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -0.647 -3.700 1.840 1.00 0.00 H new ATOM 0 HG LEU A 41 -0.847 -4.442 -0.511 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -3.010 -4.319 -1.673 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.980 -5.595 -0.432 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -3.824 -4.061 -0.111 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.674 -2.295 -1.414 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.390 -1.919 0.171 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -0.625 -2.067 0.004 1.00 0.00 H new ATOM 705 N ILE A 42 0.755 -6.290 1.703 1.00 0.00 N ATOM 706 CA ILE A 42 1.872 -6.993 1.141 1.00 0.00 C ATOM 707 C ILE A 42 1.705 -8.490 1.362 1.00 0.00 C ATOM 708 O ILE A 42 1.706 -9.252 0.398 1.00 0.00 O ATOM 709 CB ILE A 42 3.226 -6.465 1.696 1.00 0.00 C ATOM 710 CG1 ILE A 42 3.421 -5.015 1.248 1.00 0.00 C ATOM 711 CG2 ILE A 42 4.389 -7.324 1.227 1.00 0.00 C ATOM 712 CD1 ILE A 42 4.702 -4.377 1.712 1.00 0.00 C ATOM 0 H ILE A 42 0.988 -5.698 2.500 1.00 0.00 H new ATOM 0 HA ILE A 42 1.894 -6.808 0.067 1.00 0.00 H new ATOM 0 HB ILE A 42 3.201 -6.514 2.785 1.00 0.00 H new ATOM 0 HG12 ILE A 42 3.387 -4.979 0.159 1.00 0.00 H new ATOM 0 HG13 ILE A 42 2.583 -4.421 1.613 1.00 0.00 H new ATOM 0 HG21 ILE A 42 5.320 -6.928 1.632 1.00 0.00 H new ATOM 0 HG22 ILE A 42 4.248 -8.348 1.574 1.00 0.00 H new ATOM 0 HG23 ILE A 42 4.434 -7.313 0.138 1.00 0.00 H new ATOM 0 HD11 ILE A 42 4.751 -3.351 1.346 1.00 0.00 H new ATOM 0 HD12 ILE A 42 4.734 -4.375 2.802 1.00 0.00 H new ATOM 0 HD13 ILE A 42 5.551 -4.941 1.325 1.00 0.00 H new ATOM 724 N ASN A 43 1.481 -8.888 2.620 1.00 0.00 N ATOM 725 CA ASN A 43 1.255 -10.312 3.002 1.00 0.00 C ATOM 726 C ASN A 43 0.149 -10.925 2.156 1.00 0.00 C ATOM 727 O ASN A 43 0.237 -12.081 1.732 1.00 0.00 O ATOM 728 CB ASN A 43 0.845 -10.452 4.482 1.00 0.00 C ATOM 729 CG ASN A 43 1.870 -9.948 5.474 1.00 0.00 C ATOM 730 OD1 ASN A 43 3.080 -9.987 5.233 1.00 0.00 O ATOM 731 ND2 ASN A 43 1.395 -9.484 6.609 1.00 0.00 N ATOM 0 H ASN A 43 1.449 -8.244 3.410 1.00 0.00 H new ATOM 0 HA ASN A 43 2.200 -10.830 2.836 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -0.088 -9.911 4.639 1.00 0.00 H new ATOM 0 HB3 ASN A 43 0.644 -11.503 4.691 1.00 0.00 H new ATOM 0 HD21 ASN A 43 2.033 -9.140 7.326 1.00 0.00 H new ATOM 0 HD22 ASN A 43 0.388 -9.468 6.772 1.00 0.00 H new ATOM 738 N LYS A 44 -0.877 -10.122 1.895 1.00 0.00 N ATOM 739 CA LYS A 44 -2.031 -10.512 1.093 1.00 0.00 C ATOM 740 C LYS A 44 -1.600 -10.948 -0.297 1.00 0.00 C ATOM 741 O LYS A 44 -2.120 -11.919 -0.842 1.00 0.00 O ATOM 742 CB LYS A 44 -3.016 -9.337 0.976 1.00 0.00 C ATOM 743 CG LYS A 44 -4.289 -9.644 0.196 1.00 0.00 C ATOM 744 CD LYS A 44 -5.088 -8.384 -0.114 1.00 0.00 C ATOM 745 CE LYS A 44 -5.600 -7.686 1.139 1.00 0.00 C ATOM 746 NZ LYS A 44 -6.527 -8.526 1.922 1.00 0.00 N ATOM 0 H LYS A 44 -0.931 -9.164 2.241 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.520 -11.350 1.590 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -3.291 -9.011 1.979 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -2.506 -8.501 0.498 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -4.031 -10.147 -0.736 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -4.908 -10.334 0.770 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -4.463 -7.693 -0.679 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -5.934 -8.643 -0.751 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -4.753 -7.406 1.765 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -6.105 -6.763 0.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -6.961 -7.955 2.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -7.270 -8.898 1.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -6.003 -9.318 2.347 1.00 0.00 H new ATOM 760 N PHE A 45 -0.663 -10.243 -0.861 1.00 0.00 N ATOM 761 CA PHE A 45 -0.177 -10.560 -2.171 1.00 0.00 C ATOM 762 C PHE A 45 0.907 -11.610 -2.152 1.00 0.00 C ATOM 763 O PHE A 45 0.941 -12.477 -3.019 1.00 0.00 O ATOM 764 CB PHE A 45 0.231 -9.310 -2.944 1.00 0.00 C ATOM 765 CG PHE A 45 -0.963 -8.598 -3.490 1.00 0.00 C ATOM 766 CD1 PHE A 45 -1.647 -7.658 -2.743 1.00 0.00 C ATOM 767 CD2 PHE A 45 -1.423 -8.906 -4.750 1.00 0.00 C ATOM 768 CE1 PHE A 45 -2.772 -7.040 -3.250 1.00 0.00 C ATOM 769 CE2 PHE A 45 -2.538 -8.295 -5.263 1.00 0.00 C ATOM 770 CZ PHE A 45 -3.219 -7.360 -4.511 1.00 0.00 C ATOM 0 H PHE A 45 -0.216 -9.435 -0.427 1.00 0.00 H new ATOM 0 HA PHE A 45 -1.011 -11.005 -2.713 1.00 0.00 H new ATOM 0 HB2 PHE A 45 0.789 -8.640 -2.289 1.00 0.00 H new ATOM 0 HB3 PHE A 45 0.898 -9.586 -3.761 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -1.298 -7.405 -1.753 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -0.898 -9.640 -5.343 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -3.300 -6.307 -2.658 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -2.883 -8.545 -6.255 1.00 0.00 H new ATOM 0 HZ PHE A 45 -4.100 -6.881 -4.911 1.00 0.00 H new ATOM 780 N MET A 46 1.747 -11.578 -1.127 1.00 0.00 N ATOM 781 CA MET A 46 2.866 -12.531 -1.007 1.00 0.00 C ATOM 782 C MET A 46 2.313 -13.934 -0.800 1.00 0.00 C ATOM 783 O MET A 46 2.945 -14.925 -1.155 1.00 0.00 O ATOM 784 CB MET A 46 3.755 -12.202 0.197 1.00 0.00 C ATOM 785 CG MET A 46 4.237 -10.775 0.267 1.00 0.00 C ATOM 786 SD MET A 46 5.536 -10.535 1.481 1.00 0.00 S ATOM 787 CE MET A 46 6.855 -11.374 0.647 1.00 0.00 C ATOM 0 H MET A 46 1.684 -10.907 -0.362 1.00 0.00 H new ATOM 0 HA MET A 46 3.456 -12.465 -1.921 1.00 0.00 H new ATOM 0 HB2 MET A 46 3.202 -12.427 1.109 1.00 0.00 H new ATOM 0 HB3 MET A 46 4.623 -12.861 0.179 1.00 0.00 H new ATOM 0 HG2 MET A 46 4.603 -10.472 -0.714 1.00 0.00 H new ATOM 0 HG3 MET A 46 3.396 -10.124 0.508 1.00 0.00 H new ATOM 0 HE1 MET A 46 7.811 -11.029 1.040 1.00 0.00 H new ATOM 0 HE2 MET A 46 6.762 -12.448 0.808 1.00 0.00 H new ATOM 0 HE3 MET A 46 6.804 -11.162 -0.421 1.00 0.00 H new ATOM 1151 N LEU B 6 9.833 14.717 -2.444 1.00 0.00 N ATOM 1152 CA LEU B 6 9.536 13.816 -1.350 1.00 0.00 C ATOM 1153 C LEU B 6 8.643 12.710 -1.909 1.00 0.00 C ATOM 1154 O LEU B 6 8.917 11.529 -1.732 1.00 0.00 O ATOM 1155 CB LEU B 6 8.883 14.630 -0.186 1.00 0.00 C ATOM 1156 CG LEU B 6 8.533 13.922 1.148 1.00 0.00 C ATOM 1157 CD1 LEU B 6 7.278 13.088 1.042 1.00 0.00 C ATOM 1158 CD2 LEU B 6 9.694 13.075 1.637 1.00 0.00 C ATOM 0 HA LEU B 6 10.426 13.348 -0.929 1.00 0.00 H new ATOM 0 HB2 LEU B 6 9.555 15.455 0.050 1.00 0.00 H new ATOM 0 HB3 LEU B 6 7.963 15.069 -0.572 1.00 0.00 H new ATOM 0 HG LEU B 6 8.341 14.707 1.879 1.00 0.00 H new ATOM 0 HD11 LEU B 6 7.075 12.613 2.002 1.00 0.00 H new ATOM 0 HD12 LEU B 6 6.438 13.727 0.769 1.00 0.00 H new ATOM 0 HD13 LEU B 6 7.414 12.322 0.279 1.00 0.00 H new ATOM 0 HD21 LEU B 6 9.421 12.590 2.574 1.00 0.00 H new ATOM 0 HD22 LEU B 6 9.930 12.316 0.891 1.00 0.00 H new ATOM 0 HD23 LEU B 6 10.565 13.710 1.797 1.00 0.00 H new ATOM 1170 N LYS B 7 7.620 13.120 -2.651 1.00 0.00 N ATOM 1171 CA LYS B 7 6.735 12.207 -3.357 1.00 0.00 C ATOM 1172 C LYS B 7 7.499 11.399 -4.371 1.00 0.00 C ATOM 1173 O LYS B 7 7.217 10.235 -4.588 1.00 0.00 O ATOM 1174 CB LYS B 7 5.604 12.984 -4.025 1.00 0.00 C ATOM 1175 CG LYS B 7 4.311 12.873 -3.268 1.00 0.00 C ATOM 1176 CD LYS B 7 3.685 11.506 -3.490 1.00 0.00 C ATOM 1177 CE LYS B 7 2.885 11.458 -4.779 1.00 0.00 C ATOM 1178 NZ LYS B 7 2.172 10.181 -4.931 1.00 0.00 N ATOM 0 H LYS B 7 7.382 14.103 -2.779 1.00 0.00 H new ATOM 0 HA LYS B 7 6.302 11.515 -2.635 1.00 0.00 H new ATOM 0 HB2 LYS B 7 5.886 14.034 -4.106 1.00 0.00 H new ATOM 0 HB3 LYS B 7 5.461 12.613 -5.040 1.00 0.00 H new ATOM 0 HG2 LYS B 7 4.490 13.030 -2.204 1.00 0.00 H new ATOM 0 HG3 LYS B 7 3.623 13.653 -3.594 1.00 0.00 H new ATOM 0 HD2 LYS B 7 4.467 10.748 -3.519 1.00 0.00 H new ATOM 0 HD3 LYS B 7 3.036 11.262 -2.649 1.00 0.00 H new ATOM 0 HE2 LYS B 7 2.168 12.279 -4.793 1.00 0.00 H new ATOM 0 HE3 LYS B 7 3.553 11.605 -5.627 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 1.299 10.334 -5.475 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 2.779 9.502 -5.434 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 1.934 9.803 -3.992 1.00 0.00 H new ATOM 1192 N ASN B 8 8.474 12.037 -4.964 1.00 0.00 N ATOM 1193 CA ASN B 8 9.383 11.420 -5.920 1.00 0.00 C ATOM 1194 C ASN B 8 10.056 10.182 -5.318 1.00 0.00 C ATOM 1195 O ASN B 8 10.039 9.091 -5.914 1.00 0.00 O ATOM 1196 CB ASN B 8 10.440 12.451 -6.333 1.00 0.00 C ATOM 1197 CG ASN B 8 11.594 11.906 -7.140 1.00 0.00 C ATOM 1198 OD1 ASN B 8 12.598 11.457 -6.577 1.00 0.00 O ATOM 1199 ND2 ASN B 8 11.506 12.013 -8.423 1.00 0.00 N ATOM 0 H ASN B 8 8.670 13.024 -4.798 1.00 0.00 H new ATOM 0 HA ASN B 8 8.818 11.097 -6.794 1.00 0.00 H new ATOM 0 HB2 ASN B 8 9.952 13.235 -6.912 1.00 0.00 H new ATOM 0 HB3 ASN B 8 10.837 12.920 -5.433 1.00 0.00 H new ATOM 0 HD21 ASN B 8 12.285 11.721 -9.014 1.00 0.00 H new ATOM 0 HD22 ASN B 8 10.658 12.389 -8.846 1.00 0.00 H new ATOM 1206 N LYS B 9 10.611 10.353 -4.125 1.00 0.00 N ATOM 1207 CA LYS B 9 11.285 9.273 -3.434 1.00 0.00 C ATOM 1208 C LYS B 9 10.286 8.224 -2.991 1.00 0.00 C ATOM 1209 O LYS B 9 10.582 7.037 -3.023 1.00 0.00 O ATOM 1210 CB LYS B 9 12.102 9.798 -2.246 1.00 0.00 C ATOM 1211 CG LYS B 9 13.185 10.797 -2.637 1.00 0.00 C ATOM 1212 CD LYS B 9 14.215 10.181 -3.574 1.00 0.00 C ATOM 1213 CE LYS B 9 15.228 11.210 -4.053 1.00 0.00 C ATOM 1214 NZ LYS B 9 14.587 12.291 -4.832 1.00 0.00 N ATOM 0 H LYS B 9 10.605 11.237 -3.617 1.00 0.00 H new ATOM 0 HA LYS B 9 11.983 8.807 -4.129 1.00 0.00 H new ATOM 0 HB2 LYS B 9 11.426 10.270 -1.533 1.00 0.00 H new ATOM 0 HB3 LYS B 9 12.566 8.954 -1.735 1.00 0.00 H new ATOM 0 HG2 LYS B 9 12.726 11.660 -3.119 1.00 0.00 H new ATOM 0 HG3 LYS B 9 13.684 11.162 -1.739 1.00 0.00 H new ATOM 0 HD2 LYS B 9 14.734 9.371 -3.062 1.00 0.00 H new ATOM 0 HD3 LYS B 9 13.708 9.742 -4.433 1.00 0.00 H new ATOM 0 HE2 LYS B 9 15.745 11.638 -3.194 1.00 0.00 H new ATOM 0 HE3 LYS B 9 15.983 10.718 -4.667 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 15.254 12.646 -5.547 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 13.737 11.922 -5.304 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 14.319 13.067 -4.194 1.00 0.00 H new ATOM 1228 N ILE B 10 9.097 8.674 -2.607 1.00 0.00 N ATOM 1229 CA ILE B 10 8.010 7.781 -2.226 1.00 0.00 C ATOM 1230 C ILE B 10 7.650 6.854 -3.372 1.00 0.00 C ATOM 1231 O ILE B 10 7.627 5.636 -3.198 1.00 0.00 O ATOM 1232 CB ILE B 10 6.757 8.576 -1.748 1.00 0.00 C ATOM 1233 CG1 ILE B 10 7.054 9.230 -0.402 1.00 0.00 C ATOM 1234 CG2 ILE B 10 5.499 7.698 -1.675 1.00 0.00 C ATOM 1235 CD1 ILE B 10 5.923 10.047 0.155 1.00 0.00 C ATOM 0 H ILE B 10 8.860 9.665 -2.551 1.00 0.00 H new ATOM 0 HA ILE B 10 8.358 7.177 -1.388 1.00 0.00 H new ATOM 0 HB ILE B 10 6.545 9.349 -2.486 1.00 0.00 H new ATOM 0 HG12 ILE B 10 7.312 8.452 0.317 1.00 0.00 H new ATOM 0 HG13 ILE B 10 7.930 9.870 -0.508 1.00 0.00 H new ATOM 0 HG21 ILE B 10 4.655 8.299 -1.337 1.00 0.00 H new ATOM 0 HG22 ILE B 10 5.282 7.290 -2.662 1.00 0.00 H new ATOM 0 HG23 ILE B 10 5.666 6.880 -0.974 1.00 0.00 H new ATOM 0 HD11 ILE B 10 6.220 10.475 1.112 1.00 0.00 H new ATOM 0 HD12 ILE B 10 5.677 10.850 -0.540 1.00 0.00 H new ATOM 0 HD13 ILE B 10 5.050 9.410 0.298 1.00 0.00 H new ATOM 1247 N GLU B 11 7.416 7.435 -4.544 1.00 0.00 N ATOM 1248 CA GLU B 11 7.069 6.680 -5.733 1.00 0.00 C ATOM 1249 C GLU B 11 8.140 5.668 -6.060 1.00 0.00 C ATOM 1250 O GLU B 11 7.845 4.501 -6.268 1.00 0.00 O ATOM 1251 CB GLU B 11 6.841 7.606 -6.926 1.00 0.00 C ATOM 1252 CG GLU B 11 5.693 8.578 -6.737 1.00 0.00 C ATOM 1253 CD GLU B 11 4.408 7.880 -6.399 1.00 0.00 C ATOM 1254 OE1 GLU B 11 3.975 7.008 -7.162 1.00 0.00 O ATOM 1255 OE2 GLU B 11 3.807 8.188 -5.364 1.00 0.00 O ATOM 0 H GLU B 11 7.463 8.443 -4.692 1.00 0.00 H new ATOM 0 HA GLU B 11 6.140 6.150 -5.526 1.00 0.00 H new ATOM 0 HB2 GLU B 11 7.754 8.170 -7.116 1.00 0.00 H new ATOM 0 HB3 GLU B 11 6.650 7.001 -7.812 1.00 0.00 H new ATOM 0 HG2 GLU B 11 5.942 9.281 -5.943 1.00 0.00 H new ATOM 0 HG3 GLU B 11 5.559 9.161 -7.648 1.00 0.00 H new ATOM 1262 N ASN B 12 9.380 6.108 -6.053 1.00 0.00 N ATOM 1263 CA ASN B 12 10.493 5.233 -6.376 1.00 0.00 C ATOM 1264 C ASN B 12 10.667 4.119 -5.350 1.00 0.00 C ATOM 1265 O ASN B 12 10.844 2.970 -5.719 1.00 0.00 O ATOM 1266 CB ASN B 12 11.802 6.017 -6.573 1.00 0.00 C ATOM 1267 CG ASN B 12 13.000 5.102 -6.814 1.00 0.00 C ATOM 1268 OD1 ASN B 12 13.244 4.660 -7.935 1.00 0.00 O ATOM 1269 ND2 ASN B 12 13.777 4.863 -5.793 1.00 0.00 N ATOM 0 H ASN B 12 9.646 7.067 -5.827 1.00 0.00 H new ATOM 0 HA ASN B 12 10.247 4.760 -7.327 1.00 0.00 H new ATOM 0 HB2 ASN B 12 11.691 6.696 -7.418 1.00 0.00 H new ATOM 0 HB3 ASN B 12 11.990 6.632 -5.693 1.00 0.00 H new ATOM 0 HD21 ASN B 12 14.615 4.294 -5.912 1.00 0.00 H new ATOM 0 HD22 ASN B 12 13.546 5.245 -4.876 1.00 0.00 H new ATOM 1276 N LYS B 13 10.564 4.459 -4.074 1.00 0.00 N ATOM 1277 CA LYS B 13 10.746 3.493 -2.986 1.00 0.00 C ATOM 1278 C LYS B 13 9.648 2.432 -3.048 1.00 0.00 C ATOM 1279 O LYS B 13 9.905 1.235 -2.895 1.00 0.00 O ATOM 1280 CB LYS B 13 10.700 4.221 -1.642 1.00 0.00 C ATOM 1281 CG LYS B 13 11.195 3.412 -0.449 1.00 0.00 C ATOM 1282 CD LYS B 13 12.663 3.017 -0.597 1.00 0.00 C ATOM 1283 CE LYS B 13 13.560 4.218 -0.847 1.00 0.00 C ATOM 1284 NZ LYS B 13 14.985 3.855 -0.831 1.00 0.00 N ATOM 0 H LYS B 13 10.353 5.406 -3.758 1.00 0.00 H new ATOM 0 HA LYS B 13 11.714 3.004 -3.093 1.00 0.00 H new ATOM 0 HB2 LYS B 13 11.298 5.129 -1.718 1.00 0.00 H new ATOM 0 HB3 LYS B 13 9.673 4.531 -1.450 1.00 0.00 H new ATOM 0 HG2 LYS B 13 11.066 3.995 0.463 1.00 0.00 H new ATOM 0 HG3 LYS B 13 10.587 2.514 -0.342 1.00 0.00 H new ATOM 0 HD2 LYS B 13 12.991 2.502 0.306 1.00 0.00 H new ATOM 0 HD3 LYS B 13 12.766 2.311 -1.421 1.00 0.00 H new ATOM 0 HE2 LYS B 13 13.310 4.663 -1.810 1.00 0.00 H new ATOM 0 HE3 LYS B 13 13.371 4.976 -0.087 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 15.524 4.541 -1.396 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 15.334 3.863 0.149 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 15.106 2.904 -1.234 1.00 0.00 H new ATOM 1298 N LYS B 14 8.434 2.905 -3.280 1.00 0.00 N ATOM 1299 CA LYS B 14 7.256 2.100 -3.489 1.00 0.00 C ATOM 1300 C LYS B 14 7.529 1.107 -4.616 1.00 0.00 C ATOM 1301 O LYS B 14 7.353 -0.088 -4.454 1.00 0.00 O ATOM 1302 CB LYS B 14 6.125 3.039 -3.910 1.00 0.00 C ATOM 1303 CG LYS B 14 4.774 2.399 -4.136 1.00 0.00 C ATOM 1304 CD LYS B 14 3.823 3.358 -4.846 1.00 0.00 C ATOM 1305 CE LYS B 14 4.225 3.513 -6.300 1.00 0.00 C ATOM 1306 NZ LYS B 14 3.367 4.451 -7.053 1.00 0.00 N ATOM 0 H LYS B 14 8.242 3.906 -3.329 1.00 0.00 H new ATOM 0 HA LYS B 14 6.989 1.556 -2.583 1.00 0.00 H new ATOM 0 HB2 LYS B 14 6.016 3.808 -3.145 1.00 0.00 H new ATOM 0 HB3 LYS B 14 6.423 3.543 -4.829 1.00 0.00 H new ATOM 0 HG2 LYS B 14 4.892 1.493 -4.730 1.00 0.00 H new ATOM 0 HG3 LYS B 14 4.346 2.099 -3.180 1.00 0.00 H new ATOM 0 HD2 LYS B 14 2.802 2.983 -4.781 1.00 0.00 H new ATOM 0 HD3 LYS B 14 3.838 4.329 -4.351 1.00 0.00 H new ATOM 0 HE2 LYS B 14 5.257 3.859 -6.348 1.00 0.00 H new ATOM 0 HE3 LYS B 14 4.193 2.537 -6.783 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 3.314 4.151 -8.048 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 2.412 4.454 -6.642 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 3.770 5.408 -7.001 1.00 0.00 H new ATOM 1320 N LYS B 15 7.997 1.630 -5.746 1.00 0.00 N ATOM 1321 CA LYS B 15 8.318 0.827 -6.922 1.00 0.00 C ATOM 1322 C LYS B 15 9.404 -0.194 -6.622 1.00 0.00 C ATOM 1323 O LYS B 15 9.264 -1.361 -6.990 1.00 0.00 O ATOM 1324 CB LYS B 15 8.696 1.723 -8.102 1.00 0.00 C ATOM 1325 CG LYS B 15 7.535 2.584 -8.594 1.00 0.00 C ATOM 1326 CD LYS B 15 7.947 3.685 -9.588 1.00 0.00 C ATOM 1327 CE LYS B 15 8.314 3.172 -10.994 1.00 0.00 C ATOM 1328 NZ LYS B 15 9.586 2.413 -11.046 1.00 0.00 N ATOM 0 H LYS B 15 8.165 2.628 -5.872 1.00 0.00 H new ATOM 0 HA LYS B 15 7.425 0.268 -7.200 1.00 0.00 H new ATOM 0 HB2 LYS B 15 9.522 2.370 -7.809 1.00 0.00 H new ATOM 0 HB3 LYS B 15 9.053 1.101 -8.923 1.00 0.00 H new ATOM 0 HG2 LYS B 15 6.794 1.940 -9.068 1.00 0.00 H new ATOM 0 HG3 LYS B 15 7.051 3.048 -7.735 1.00 0.00 H new ATOM 0 HD2 LYS B 15 7.129 4.400 -9.678 1.00 0.00 H new ATOM 0 HD3 LYS B 15 8.800 4.226 -9.178 1.00 0.00 H new ATOM 0 HE2 LYS B 15 7.508 2.536 -11.359 1.00 0.00 H new ATOM 0 HE3 LYS B 15 8.382 4.022 -11.673 1.00 0.00 H new ATOM 0 HZ1 LYS B 15 10.091 2.642 -11.926 1.00 0.00 H new ATOM 0 HZ2 LYS B 15 10.177 2.670 -10.230 1.00 0.00 H new ATOM 0 HZ3 LYS B 15 9.383 1.393 -11.018 1.00 0.00 H new ATOM 1342 N GLU B 16 10.462 0.234 -5.918 1.00 0.00 N ATOM 1343 CA GLU B 16 11.539 -0.672 -5.506 1.00 0.00 C ATOM 1344 C GLU B 16 10.978 -1.833 -4.701 1.00 0.00 C ATOM 1345 O GLU B 16 11.390 -2.987 -4.877 1.00 0.00 O ATOM 1346 CB GLU B 16 12.621 0.042 -4.673 1.00 0.00 C ATOM 1347 CG GLU B 16 13.413 1.098 -5.408 1.00 0.00 C ATOM 1348 CD GLU B 16 14.600 1.559 -4.600 1.00 0.00 C ATOM 1349 OE1 GLU B 16 15.685 0.937 -4.714 1.00 0.00 O ATOM 1350 OE2 GLU B 16 14.490 2.523 -3.821 1.00 0.00 O ATOM 0 H GLU B 16 10.593 1.202 -5.623 1.00 0.00 H new ATOM 0 HA GLU B 16 12.004 -1.040 -6.421 1.00 0.00 H new ATOM 0 HB2 GLU B 16 12.144 0.505 -3.809 1.00 0.00 H new ATOM 0 HB3 GLU B 16 13.314 -0.707 -4.290 1.00 0.00 H new ATOM 0 HG2 GLU B 16 13.754 0.699 -6.363 1.00 0.00 H new ATOM 0 HG3 GLU B 16 12.769 1.949 -5.629 1.00 0.00 H new ATOM 1357 N LEU B 17 10.024 -1.520 -3.853 1.00 0.00 N ATOM 1358 CA LEU B 17 9.367 -2.490 -3.016 1.00 0.00 C ATOM 1359 C LEU B 17 8.493 -3.425 -3.832 1.00 0.00 C ATOM 1360 O LEU B 17 8.496 -4.636 -3.598 1.00 0.00 O ATOM 1361 CB LEU B 17 8.578 -1.766 -1.888 1.00 0.00 C ATOM 1362 CG LEU B 17 7.559 -2.569 -1.047 1.00 0.00 C ATOM 1363 CD1 LEU B 17 6.253 -2.781 -1.767 1.00 0.00 C ATOM 1364 CD2 LEU B 17 8.149 -3.864 -0.520 1.00 0.00 C ATOM 0 H LEU B 17 9.680 -0.568 -3.726 1.00 0.00 H new ATOM 0 HA LEU B 17 10.121 -3.119 -2.543 1.00 0.00 H new ATOM 0 HB2 LEU B 17 9.307 -1.338 -1.200 1.00 0.00 H new ATOM 0 HB3 LEU B 17 8.043 -0.933 -2.344 1.00 0.00 H new ATOM 0 HG LEU B 17 7.326 -1.956 -0.176 1.00 0.00 H new ATOM 0 HD11 LEU B 17 5.575 -3.350 -1.131 1.00 0.00 H new ATOM 0 HD12 LEU B 17 5.806 -1.815 -2.001 1.00 0.00 H new ATOM 0 HD13 LEU B 17 6.432 -3.332 -2.691 1.00 0.00 H new ATOM 0 HD21 LEU B 17 7.398 -4.395 0.065 1.00 0.00 H new ATOM 0 HD22 LEU B 17 8.464 -4.487 -1.357 1.00 0.00 H new ATOM 0 HD23 LEU B 17 9.009 -3.642 0.111 1.00 0.00 H new ATOM 1376 N ILE B 18 7.739 -2.873 -4.765 1.00 0.00 N ATOM 1377 CA ILE B 18 6.845 -3.673 -5.585 1.00 0.00 C ATOM 1378 C ILE B 18 7.643 -4.733 -6.321 1.00 0.00 C ATOM 1379 O ILE B 18 7.250 -5.886 -6.373 1.00 0.00 O ATOM 1380 CB ILE B 18 6.047 -2.819 -6.600 1.00 0.00 C ATOM 1381 CG1 ILE B 18 5.220 -1.770 -5.854 1.00 0.00 C ATOM 1382 CG2 ILE B 18 5.130 -3.725 -7.439 1.00 0.00 C ATOM 1383 CD1 ILE B 18 4.647 -0.681 -6.730 1.00 0.00 C ATOM 0 H ILE B 18 7.727 -1.875 -4.974 1.00 0.00 H new ATOM 0 HA ILE B 18 6.121 -4.140 -4.918 1.00 0.00 H new ATOM 0 HB ILE B 18 6.742 -2.310 -7.268 1.00 0.00 H new ATOM 0 HG12 ILE B 18 4.401 -2.272 -5.338 1.00 0.00 H new ATOM 0 HG13 ILE B 18 5.845 -1.311 -5.088 1.00 0.00 H new ATOM 0 HG21 ILE B 18 4.571 -3.118 -8.151 1.00 0.00 H new ATOM 0 HG22 ILE B 18 5.734 -4.454 -7.979 1.00 0.00 H new ATOM 0 HG23 ILE B 18 4.434 -4.246 -6.782 1.00 0.00 H new ATOM 0 HD11 ILE B 18 4.077 0.017 -6.117 1.00 0.00 H new ATOM 0 HD12 ILE B 18 5.458 -0.149 -7.226 1.00 0.00 H new ATOM 0 HD13 ILE B 18 3.992 -1.124 -7.480 1.00 0.00 H new ATOM 1395 N GLN B 19 8.802 -4.329 -6.826 1.00 0.00 N ATOM 1396 CA GLN B 19 9.708 -5.232 -7.511 1.00 0.00 C ATOM 1397 C GLN B 19 10.144 -6.350 -6.573 1.00 0.00 C ATOM 1398 O GLN B 19 10.274 -7.497 -6.982 1.00 0.00 O ATOM 1399 CB GLN B 19 10.941 -4.492 -7.994 1.00 0.00 C ATOM 1400 CG GLN B 19 10.658 -3.317 -8.910 1.00 0.00 C ATOM 1401 CD GLN B 19 11.918 -2.587 -9.322 1.00 0.00 C ATOM 1402 OE1 GLN B 19 12.987 -3.312 -9.504 1.00 0.00 O flip ATOM 1403 NE2 GLN B 19 11.906 -1.373 -9.523 1.00 0.00 N flip ATOM 0 H GLN B 19 9.137 -3.367 -6.771 1.00 0.00 H new ATOM 0 HA GLN B 19 9.180 -5.651 -8.368 1.00 0.00 H new ATOM 0 HB2 GLN B 19 11.496 -4.134 -7.127 1.00 0.00 H new ATOM 0 HB3 GLN B 19 11.588 -5.196 -8.518 1.00 0.00 H new ATOM 0 HG2 GLN B 19 10.140 -3.672 -9.801 1.00 0.00 H new ATOM 0 HG3 GLN B 19 9.987 -2.621 -8.406 1.00 0.00 H new ATOM 0 HE21 GLN B 19 11.051 -0.839 -9.370 1.00 0.00 H new ATOM 0 HE22 GLN B 19 12.752 -0.901 -9.843 1.00 0.00 H new ATOM 1412 N LEU B 20 10.344 -6.004 -5.312 1.00 0.00 N ATOM 1413 CA LEU B 20 10.762 -6.956 -4.303 1.00 0.00 C ATOM 1414 C LEU B 20 9.667 -7.971 -4.004 1.00 0.00 C ATOM 1415 O LEU B 20 9.925 -9.179 -4.050 1.00 0.00 O ATOM 1416 CB LEU B 20 11.242 -6.263 -3.024 1.00 0.00 C ATOM 1417 CG LEU B 20 12.488 -5.381 -3.156 1.00 0.00 C ATOM 1418 CD1 LEU B 20 12.835 -4.748 -1.826 1.00 0.00 C ATOM 1419 CD2 LEU B 20 13.672 -6.181 -3.684 1.00 0.00 C ATOM 0 H LEU B 20 10.220 -5.054 -4.962 1.00 0.00 H new ATOM 0 HA LEU B 20 11.613 -7.499 -4.714 1.00 0.00 H new ATOM 0 HB2 LEU B 20 10.427 -5.649 -2.641 1.00 0.00 H new ATOM 0 HB3 LEU B 20 11.443 -7.029 -2.275 1.00 0.00 H new ATOM 0 HG LEU B 20 12.264 -4.591 -3.872 1.00 0.00 H new ATOM 0 HD11 LEU B 20 13.722 -4.125 -1.940 1.00 0.00 H new ATOM 0 HD12 LEU B 20 12.001 -4.133 -1.487 1.00 0.00 H new ATOM 0 HD13 LEU B 20 13.032 -5.529 -1.092 1.00 0.00 H new ATOM 0 HD21 LEU B 20 14.542 -5.530 -3.768 1.00 0.00 H new ATOM 0 HD22 LEU B 20 13.894 -6.998 -2.997 1.00 0.00 H new ATOM 0 HD23 LEU B 20 13.428 -6.588 -4.665 1.00 0.00 H new ATOM 1431 N VAL B 21 8.433 -7.512 -3.710 1.00 0.00 N ATOM 1432 CA VAL B 21 7.351 -8.444 -3.486 1.00 0.00 C ATOM 1433 C VAL B 21 7.050 -9.261 -4.764 1.00 0.00 C ATOM 1434 O VAL B 21 6.616 -10.408 -4.695 1.00 0.00 O ATOM 1435 CB VAL B 21 6.061 -7.743 -2.990 1.00 0.00 C ATOM 1436 CG1 VAL B 21 6.338 -6.748 -1.903 1.00 0.00 C ATOM 1437 CG2 VAL B 21 5.233 -7.144 -4.100 1.00 0.00 C ATOM 0 H VAL B 21 8.182 -6.527 -3.628 1.00 0.00 H new ATOM 0 HA VAL B 21 7.683 -9.121 -2.699 1.00 0.00 H new ATOM 0 HB VAL B 21 5.450 -8.536 -2.559 1.00 0.00 H new ATOM 0 HG11 VAL B 21 5.404 -6.283 -1.588 1.00 0.00 H new ATOM 0 HG12 VAL B 21 6.795 -7.255 -1.053 1.00 0.00 H new ATOM 0 HG13 VAL B 21 7.017 -5.981 -2.276 1.00 0.00 H new ATOM 0 HG21 VAL B 21 4.346 -6.671 -3.678 1.00 0.00 H new ATOM 0 HG22 VAL B 21 5.823 -6.399 -4.633 1.00 0.00 H new ATOM 0 HG23 VAL B 21 4.930 -7.929 -4.792 1.00 0.00 H new ATOM 1447 N ALA B 22 7.312 -8.670 -5.916 1.00 0.00 N ATOM 1448 CA ALA B 22 7.077 -9.319 -7.176 1.00 0.00 C ATOM 1449 C ALA B 22 8.078 -10.437 -7.409 1.00 0.00 C ATOM 1450 O ALA B 22 7.717 -11.508 -7.899 1.00 0.00 O ATOM 1451 CB ALA B 22 7.095 -8.313 -8.302 1.00 0.00 C ATOM 0 H ALA B 22 7.693 -7.727 -5.995 1.00 0.00 H new ATOM 0 HA ALA B 22 6.086 -9.772 -7.150 1.00 0.00 H new ATOM 0 HB1 ALA B 22 6.915 -8.823 -9.248 1.00 0.00 H new ATOM 0 HB2 ALA B 22 6.316 -7.569 -8.137 1.00 0.00 H new ATOM 0 HB3 ALA B 22 8.067 -7.820 -8.334 1.00 0.00 H new ATOM 1457 N ARG B 23 9.329 -10.216 -7.004 1.00 0.00 N ATOM 1458 CA ARG B 23 10.366 -11.227 -7.154 1.00 0.00 C ATOM 1459 C ARG B 23 10.308 -12.263 -6.041 1.00 0.00 C ATOM 1460 O ARG B 23 11.125 -13.194 -5.985 1.00 0.00 O ATOM 1461 CB ARG B 23 11.758 -10.618 -7.335 1.00 0.00 C ATOM 1462 CG ARG B 23 12.239 -9.757 -6.200 1.00 0.00 C ATOM 1463 CD ARG B 23 13.492 -8.988 -6.592 1.00 0.00 C ATOM 1464 NE ARG B 23 13.247 -8.109 -7.764 1.00 0.00 N ATOM 1465 CZ ARG B 23 14.144 -7.281 -8.331 1.00 0.00 C ATOM 1466 NH1 ARG B 23 15.357 -7.131 -7.806 1.00 0.00 N ATOM 1467 NH2 ARG B 23 13.819 -6.601 -9.429 1.00 0.00 N ATOM 0 H ARG B 23 9.644 -9.348 -6.571 1.00 0.00 H new ATOM 0 HA ARG B 23 10.159 -11.760 -8.082 1.00 0.00 H new ATOM 0 HB2 ARG B 23 12.473 -11.427 -7.483 1.00 0.00 H new ATOM 0 HB3 ARG B 23 11.759 -10.021 -8.247 1.00 0.00 H new ATOM 0 HG2 ARG B 23 11.454 -9.058 -5.911 1.00 0.00 H new ATOM 0 HG3 ARG B 23 12.447 -10.379 -5.330 1.00 0.00 H new ATOM 0 HD2 ARG B 23 13.829 -8.386 -5.748 1.00 0.00 H new ATOM 0 HD3 ARG B 23 14.293 -9.690 -6.823 1.00 0.00 H new ATOM 0 HE ARG B 23 12.315 -8.135 -8.177 1.00 0.00 H new ATOM 0 HH11 ARG B 23 15.616 -7.646 -6.965 1.00 0.00 H new ATOM 0 HH12 ARG B 23 16.028 -6.501 -8.245 1.00 0.00 H new ATOM 0 HH21 ARG B 23 12.891 -6.708 -9.839 1.00 0.00 H new ATOM 0 HH22 ARG B 23 14.498 -5.973 -9.860 1.00 0.00 H new ATOM 1481 N HIS B 24 9.345 -12.088 -5.139 1.00 0.00 N ATOM 1482 CA HIS B 24 9.003 -13.125 -4.189 1.00 0.00 C ATOM 1483 C HIS B 24 8.350 -14.243 -4.988 1.00 0.00 C ATOM 1484 O HIS B 24 8.518 -15.421 -4.694 1.00 0.00 O ATOM 1485 CB HIS B 24 8.027 -12.597 -3.096 1.00 0.00 C ATOM 1486 CG HIS B 24 7.450 -13.674 -2.187 1.00 0.00 C ATOM 1487 ND1 HIS B 24 6.329 -14.433 -2.479 1.00 0.00 N ATOM 1488 CD2 HIS B 24 7.884 -14.120 -0.991 1.00 0.00 C ATOM 1489 CE1 HIS B 24 6.135 -15.289 -1.475 1.00 0.00 C ATOM 1490 NE2 HIS B 24 7.055 -15.144 -0.544 1.00 0.00 N ATOM 0 H HIS B 24 8.792 -11.235 -5.052 1.00 0.00 H new ATOM 0 HA HIS B 24 9.894 -13.474 -3.667 1.00 0.00 H new ATOM 0 HB2 HIS B 24 8.552 -11.865 -2.482 1.00 0.00 H new ATOM 0 HB3 HIS B 24 7.205 -12.073 -3.584 1.00 0.00 H new ATOM 0 HD2 HIS B 24 8.745 -13.740 -0.460 1.00 0.00 H new ATOM 0 HE1 HIS B 24 5.329 -16.007 -1.431 1.00 0.00 H new ATOM 0 HE2 HIS B 24 7.142 -15.672 0.324 1.00 0.00 H new ATOM 1498 N GLY B 25 7.631 -13.846 -6.019 1.00 0.00 N ATOM 1499 CA GLY B 25 7.003 -14.784 -6.888 1.00 0.00 C ATOM 1500 C GLY B 25 5.588 -14.405 -7.221 1.00 0.00 C ATOM 1501 O GLY B 25 4.687 -15.239 -7.137 1.00 0.00 O ATOM 0 H GLY B 25 7.474 -12.869 -6.265 1.00 0.00 H new ATOM 0 HA2 GLY B 25 7.580 -14.863 -7.809 1.00 0.00 H new ATOM 0 HA3 GLY B 25 7.011 -15.769 -6.421 1.00 0.00 H new ATOM 1505 N LEU B 26 5.368 -13.158 -7.570 1.00 0.00 N ATOM 1506 CA LEU B 26 4.044 -12.743 -7.940 1.00 0.00 C ATOM 1507 C LEU B 26 3.819 -12.918 -9.385 1.00 0.00 C ATOM 1508 O LEU B 26 4.723 -12.732 -10.208 1.00 0.00 O ATOM 1509 CB LEU B 26 3.724 -11.292 -7.570 1.00 0.00 C ATOM 1510 CG LEU B 26 3.623 -10.978 -6.109 1.00 0.00 C ATOM 1511 CD1 LEU B 26 3.147 -9.555 -5.867 1.00 0.00 C ATOM 1512 CD2 LEU B 26 2.784 -11.991 -5.366 1.00 0.00 C ATOM 0 H LEU B 26 6.079 -12.427 -7.604 1.00 0.00 H new ATOM 0 HA LEU B 26 3.377 -13.386 -7.366 1.00 0.00 H new ATOM 0 HB2 LEU B 26 4.493 -10.653 -8.003 1.00 0.00 H new ATOM 0 HB3 LEU B 26 2.780 -11.020 -8.043 1.00 0.00 H new ATOM 0 HG LEU B 26 4.631 -11.049 -5.701 1.00 0.00 H new ATOM 0 HD11 LEU B 26 3.088 -9.369 -4.795 1.00 0.00 H new ATOM 0 HD12 LEU B 26 3.849 -8.855 -6.319 1.00 0.00 H new ATOM 0 HD13 LEU B 26 2.162 -9.420 -6.314 1.00 0.00 H new ATOM 0 HD21 LEU B 26 2.739 -11.722 -4.311 1.00 0.00 H new ATOM 0 HD22 LEU B 26 1.776 -12.003 -5.781 1.00 0.00 H new ATOM 0 HD23 LEU B 26 3.231 -12.980 -5.470 1.00 0.00 H new ATOM 1524 N ASP B 27 2.621 -13.273 -9.696 1.00 0.00 N ATOM 1525 CA ASP B 27 2.196 -13.348 -11.064 1.00 0.00 C ATOM 1526 C ASP B 27 1.934 -11.958 -11.530 1.00 0.00 C ATOM 1527 O ASP B 27 1.797 -11.056 -10.691 1.00 0.00 O ATOM 1528 CB ASP B 27 0.946 -14.212 -11.233 1.00 0.00 C ATOM 1529 CG ASP B 27 1.227 -15.662 -10.997 1.00 0.00 C ATOM 1530 OD1 ASP B 27 1.916 -16.296 -11.839 1.00 0.00 O ATOM 1531 OD2 ASP B 27 0.797 -16.202 -9.963 1.00 0.00 O ATOM 0 H ASP B 27 1.903 -13.521 -9.015 1.00 0.00 H new ATOM 0 HA ASP B 27 2.978 -13.820 -11.659 1.00 0.00 H new ATOM 0 HB2 ASP B 27 0.176 -13.875 -10.539 1.00 0.00 H new ATOM 0 HB3 ASP B 27 0.548 -14.080 -12.239 1.00 0.00 H new ATOM 1536 N HIS B 28 1.846 -11.768 -12.830 1.00 0.00 N ATOM 1537 CA HIS B 28 1.650 -10.436 -13.412 1.00 0.00 C ATOM 1538 C HIS B 28 0.489 -9.694 -12.767 1.00 0.00 C ATOM 1539 O HIS B 28 0.619 -8.536 -12.388 1.00 0.00 O ATOM 1540 CB HIS B 28 1.507 -10.495 -14.950 1.00 0.00 C ATOM 1541 CG HIS B 28 0.414 -11.372 -15.511 1.00 0.00 C ATOM 1542 ND1 HIS B 28 0.564 -12.715 -15.778 1.00 0.00 N ATOM 1543 CD2 HIS B 28 -0.848 -11.056 -15.899 1.00 0.00 C ATOM 1544 CE1 HIS B 28 -0.572 -13.164 -16.307 1.00 0.00 C ATOM 1545 NE2 HIS B 28 -1.468 -12.196 -16.404 1.00 0.00 N ATOM 0 H HIS B 28 1.906 -12.519 -13.517 1.00 0.00 H new ATOM 0 HA HIS B 28 2.552 -9.863 -13.194 1.00 0.00 H new ATOM 0 HB2 HIS B 28 1.344 -9.480 -15.313 1.00 0.00 H new ATOM 0 HB3 HIS B 28 2.457 -10.833 -15.364 1.00 0.00 H new ATOM 0 HD2 HIS B 28 -1.299 -10.077 -15.827 1.00 0.00 H new ATOM 0 HE1 HIS B 28 -0.740 -14.185 -16.616 1.00 0.00 H new ATOM 0 HE2 HIS B 28 -2.416 -12.269 -16.772 1.00 0.00 H new ATOM 1553 N ASP B 29 -0.596 -10.412 -12.585 1.00 0.00 N ATOM 1554 CA ASP B 29 -1.822 -9.904 -11.953 1.00 0.00 C ATOM 1555 C ASP B 29 -1.529 -9.363 -10.581 1.00 0.00 C ATOM 1556 O ASP B 29 -1.951 -8.277 -10.234 1.00 0.00 O ATOM 1557 CB ASP B 29 -2.860 -11.006 -11.764 1.00 0.00 C ATOM 1558 CG ASP B 29 -3.231 -11.750 -13.000 1.00 0.00 C ATOM 1559 OD1 ASP B 29 -2.586 -12.775 -13.290 1.00 0.00 O ATOM 1560 OD2 ASP B 29 -4.206 -11.360 -13.679 1.00 0.00 O ATOM 0 H ASP B 29 -0.666 -11.388 -12.874 1.00 0.00 H new ATOM 0 HA ASP B 29 -2.204 -9.128 -12.617 1.00 0.00 H new ATOM 0 HB2 ASP B 29 -2.480 -11.718 -11.031 1.00 0.00 H new ATOM 0 HB3 ASP B 29 -3.762 -10.564 -11.341 1.00 0.00 H new ATOM 1565 N LYS B 30 -0.786 -10.137 -9.817 1.00 0.00 N ATOM 1566 CA LYS B 30 -0.466 -9.810 -8.450 1.00 0.00 C ATOM 1567 C LYS B 30 0.339 -8.520 -8.360 1.00 0.00 C ATOM 1568 O LYS B 30 0.052 -7.674 -7.531 1.00 0.00 O ATOM 1569 CB LYS B 30 0.260 -10.982 -7.774 1.00 0.00 C ATOM 1570 CG LYS B 30 -0.605 -12.218 -7.536 1.00 0.00 C ATOM 1571 CD LYS B 30 -1.722 -11.962 -6.528 1.00 0.00 C ATOM 1572 CE LYS B 30 -2.571 -13.209 -6.281 1.00 0.00 C ATOM 1573 NZ LYS B 30 -1.804 -14.310 -5.653 1.00 0.00 N ATOM 0 H LYS B 30 -0.385 -11.019 -10.135 1.00 0.00 H new ATOM 0 HA LYS B 30 -1.399 -9.639 -7.913 1.00 0.00 H new ATOM 0 HB2 LYS B 30 1.114 -11.266 -8.389 1.00 0.00 H new ATOM 0 HB3 LYS B 30 0.656 -10.643 -6.817 1.00 0.00 H new ATOM 0 HG2 LYS B 30 -1.040 -12.541 -8.482 1.00 0.00 H new ATOM 0 HG3 LYS B 30 0.023 -13.034 -7.179 1.00 0.00 H new ATOM 0 HD2 LYS B 30 -1.289 -11.626 -5.586 1.00 0.00 H new ATOM 0 HD3 LYS B 30 -2.360 -11.156 -6.891 1.00 0.00 H new ATOM 0 HE2 LYS B 30 -3.414 -12.948 -5.641 1.00 0.00 H new ATOM 0 HE3 LYS B 30 -2.985 -13.555 -7.228 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 -2.456 -15.069 -5.370 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 -1.112 -14.683 -6.334 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 -1.305 -13.951 -4.814 1.00 0.00 H new ATOM 1587 N VAL B 31 1.305 -8.363 -9.249 1.00 0.00 N ATOM 1588 CA VAL B 31 2.132 -7.162 -9.292 1.00 0.00 C ATOM 1589 C VAL B 31 1.252 -5.956 -9.646 1.00 0.00 C ATOM 1590 O VAL B 31 1.340 -4.903 -9.020 1.00 0.00 O ATOM 1591 CB VAL B 31 3.266 -7.290 -10.342 1.00 0.00 C ATOM 1592 CG1 VAL B 31 4.293 -6.176 -10.200 1.00 0.00 C ATOM 1593 CG2 VAL B 31 3.909 -8.661 -10.280 1.00 0.00 C ATOM 0 H VAL B 31 1.540 -9.057 -9.958 1.00 0.00 H new ATOM 0 HA VAL B 31 2.589 -7.028 -8.311 1.00 0.00 H new ATOM 0 HB VAL B 31 2.818 -7.180 -11.330 1.00 0.00 H new ATOM 0 HG11 VAL B 31 5.071 -6.300 -10.953 1.00 0.00 H new ATOM 0 HG12 VAL B 31 3.805 -5.211 -10.339 1.00 0.00 H new ATOM 0 HG13 VAL B 31 4.740 -6.217 -9.207 1.00 0.00 H new ATOM 0 HG21 VAL B 31 4.701 -8.725 -11.026 1.00 0.00 H new ATOM 0 HG22 VAL B 31 4.331 -8.820 -9.288 1.00 0.00 H new ATOM 0 HG23 VAL B 31 3.158 -9.425 -10.482 1.00 0.00 H new ATOM 1603 N LEU B 32 0.379 -6.147 -10.629 1.00 0.00 N ATOM 1604 CA LEU B 32 -0.571 -5.124 -11.081 1.00 0.00 C ATOM 1605 C LEU B 32 -1.484 -4.706 -9.977 1.00 0.00 C ATOM 1606 O LEU B 32 -1.480 -3.554 -9.595 1.00 0.00 O ATOM 1607 CB LEU B 32 -1.380 -5.644 -12.260 1.00 0.00 C ATOM 1608 CG LEU B 32 -0.569 -6.036 -13.488 1.00 0.00 C ATOM 1609 CD1 LEU B 32 -1.466 -6.627 -14.532 1.00 0.00 C ATOM 1610 CD2 LEU B 32 0.197 -4.847 -14.046 1.00 0.00 C ATOM 0 H LEU B 32 0.306 -7.025 -11.143 1.00 0.00 H new ATOM 0 HA LEU B 32 0.000 -4.250 -11.395 1.00 0.00 H new ATOM 0 HB2 LEU B 32 -1.952 -6.512 -11.932 1.00 0.00 H new ATOM 0 HB3 LEU B 32 -2.100 -4.879 -12.550 1.00 0.00 H new ATOM 0 HG LEU B 32 0.162 -6.787 -13.188 1.00 0.00 H new ATOM 0 HD11 LEU B 32 -0.875 -6.903 -15.405 1.00 0.00 H new ATOM 0 HD12 LEU B 32 -1.957 -7.514 -14.130 1.00 0.00 H new ATOM 0 HD13 LEU B 32 -2.220 -5.895 -14.821 1.00 0.00 H new ATOM 0 HD21 LEU B 32 0.766 -5.159 -14.922 1.00 0.00 H new ATOM 0 HD22 LEU B 32 -0.505 -4.063 -14.330 1.00 0.00 H new ATOM 0 HD23 LEU B 32 0.880 -4.465 -13.287 1.00 0.00 H new ATOM 1622 N LEU B 33 -2.204 -5.649 -9.426 1.00 0.00 N ATOM 1623 CA LEU B 33 -3.187 -5.377 -8.394 1.00 0.00 C ATOM 1624 C LEU B 33 -2.553 -4.781 -7.144 1.00 0.00 C ATOM 1625 O LEU B 33 -3.146 -3.921 -6.490 1.00 0.00 O ATOM 1626 CB LEU B 33 -3.978 -6.631 -8.075 1.00 0.00 C ATOM 1627 CG LEU B 33 -4.742 -7.255 -9.250 1.00 0.00 C ATOM 1628 CD1 LEU B 33 -5.412 -8.548 -8.830 1.00 0.00 C ATOM 1629 CD2 LEU B 33 -5.760 -6.279 -9.823 1.00 0.00 C ATOM 0 H LEU B 33 -2.129 -6.635 -9.678 1.00 0.00 H new ATOM 0 HA LEU B 33 -3.877 -4.626 -8.779 1.00 0.00 H new ATOM 0 HB2 LEU B 33 -3.293 -7.378 -7.674 1.00 0.00 H new ATOM 0 HB3 LEU B 33 -4.692 -6.397 -7.285 1.00 0.00 H new ATOM 0 HG LEU B 33 -4.021 -7.484 -10.034 1.00 0.00 H new ATOM 0 HD11 LEU B 33 -5.948 -8.973 -9.679 1.00 0.00 H new ATOM 0 HD12 LEU B 33 -4.656 -9.255 -8.487 1.00 0.00 H new ATOM 0 HD13 LEU B 33 -6.115 -8.348 -8.021 1.00 0.00 H new ATOM 0 HD21 LEU B 33 -6.286 -6.748 -10.654 1.00 0.00 H new ATOM 0 HD22 LEU B 33 -6.476 -6.004 -9.049 1.00 0.00 H new ATOM 0 HD23 LEU B 33 -5.247 -5.385 -10.177 1.00 0.00 H new ATOM 1641 N PHE B 34 -1.349 -5.198 -6.839 1.00 0.00 N ATOM 1642 CA PHE B 34 -0.648 -4.653 -5.710 1.00 0.00 C ATOM 1643 C PHE B 34 -0.178 -3.231 -5.999 1.00 0.00 C ATOM 1644 O PHE B 34 -0.451 -2.343 -5.223 1.00 0.00 O ATOM 1645 CB PHE B 34 0.520 -5.559 -5.300 1.00 0.00 C ATOM 1646 CG PHE B 34 1.349 -5.035 -4.164 1.00 0.00 C ATOM 1647 CD1 PHE B 34 0.868 -5.059 -2.867 1.00 0.00 C ATOM 1648 CD2 PHE B 34 2.607 -4.512 -4.399 1.00 0.00 C ATOM 1649 CE1 PHE B 34 1.629 -4.573 -1.832 1.00 0.00 C ATOM 1650 CE2 PHE B 34 3.367 -4.024 -3.366 1.00 0.00 C ATOM 1651 CZ PHE B 34 2.880 -4.054 -2.085 1.00 0.00 C ATOM 0 H PHE B 34 -0.837 -5.912 -7.358 1.00 0.00 H new ATOM 0 HA PHE B 34 -1.339 -4.608 -4.868 1.00 0.00 H new ATOM 0 HB2 PHE B 34 0.125 -6.536 -5.023 1.00 0.00 H new ATOM 0 HB3 PHE B 34 1.166 -5.710 -6.165 1.00 0.00 H new ATOM 0 HD1 PHE B 34 -0.113 -5.463 -2.667 1.00 0.00 H new ATOM 0 HD2 PHE B 34 2.996 -4.487 -5.406 1.00 0.00 H new ATOM 0 HE1 PHE B 34 1.248 -4.598 -0.822 1.00 0.00 H new ATOM 0 HE2 PHE B 34 4.348 -3.617 -3.562 1.00 0.00 H new ATOM 0 HZ PHE B 34 3.478 -3.670 -1.272 1.00 0.00 H new ATOM 1661 N SER B 35 0.477 -3.016 -7.138 1.00 0.00 N ATOM 1662 CA SER B 35 1.030 -1.706 -7.467 1.00 0.00 C ATOM 1663 C SER B 35 -0.040 -0.605 -7.506 1.00 0.00 C ATOM 1664 O SER B 35 0.191 0.502 -7.014 1.00 0.00 O ATOM 1665 CB SER B 35 1.863 -1.756 -8.764 1.00 0.00 C ATOM 1666 OG SER B 35 1.138 -2.335 -9.829 1.00 0.00 O ATOM 0 H SER B 35 0.637 -3.732 -7.847 1.00 0.00 H new ATOM 0 HA SER B 35 1.707 -1.437 -6.656 1.00 0.00 H new ATOM 0 HB2 SER B 35 2.169 -0.747 -9.039 1.00 0.00 H new ATOM 0 HB3 SER B 35 2.774 -2.329 -8.590 1.00 0.00 H new ATOM 0 HG SER B 35 1.128 -3.310 -9.726 1.00 0.00 H new ATOM 1672 N ARG B 36 -1.201 -0.915 -8.056 1.00 0.00 N ATOM 1673 CA ARG B 36 -2.311 0.037 -8.091 1.00 0.00 C ATOM 1674 C ARG B 36 -2.874 0.302 -6.699 1.00 0.00 C ATOM 1675 O ARG B 36 -3.029 1.449 -6.294 1.00 0.00 O ATOM 1676 CB ARG B 36 -3.428 -0.433 -9.033 1.00 0.00 C ATOM 1677 CG ARG B 36 -3.752 -1.900 -8.889 1.00 0.00 C ATOM 1678 CD ARG B 36 -4.969 -2.325 -9.645 1.00 0.00 C ATOM 1679 NE ARG B 36 -6.186 -2.096 -8.843 1.00 0.00 N ATOM 1680 CZ ARG B 36 -7.444 -2.116 -9.284 1.00 0.00 C ATOM 1681 NH1 ARG B 36 -7.712 -2.370 -10.555 1.00 0.00 N ATOM 1682 NH2 ARG B 36 -8.431 -1.909 -8.430 1.00 0.00 N ATOM 0 H ARG B 36 -1.405 -1.817 -8.486 1.00 0.00 H new ATOM 0 HA ARG B 36 -1.907 0.973 -8.477 1.00 0.00 H new ATOM 0 HB2 ARG B 36 -4.327 0.151 -8.839 1.00 0.00 H new ATOM 0 HB3 ARG B 36 -3.134 -0.232 -10.063 1.00 0.00 H new ATOM 0 HG2 ARG B 36 -2.899 -2.486 -9.232 1.00 0.00 H new ATOM 0 HG3 ARG B 36 -3.893 -2.130 -7.833 1.00 0.00 H new ATOM 0 HD2 ARG B 36 -5.034 -1.770 -10.581 1.00 0.00 H new ATOM 0 HD3 ARG B 36 -4.892 -3.381 -9.905 1.00 0.00 H new ATOM 0 HE ARG B 36 -6.051 -1.903 -7.851 1.00 0.00 H new ATOM 0 HH11 ARG B 36 -6.952 -2.553 -11.210 1.00 0.00 H new ATOM 0 HH12 ARG B 36 -8.679 -2.382 -10.880 1.00 0.00 H new ATOM 0 HH21 ARG B 36 -8.226 -1.736 -7.446 1.00 0.00 H new ATOM 0 HH22 ARG B 36 -9.398 -1.922 -8.755 1.00 0.00 H new ATOM 1696 N ASP B 37 -3.137 -0.749 -5.957 1.00 0.00 N ATOM 1697 CA ASP B 37 -3.771 -0.608 -4.662 1.00 0.00 C ATOM 1698 C ASP B 37 -2.844 -0.107 -3.582 1.00 0.00 C ATOM 1699 O ASP B 37 -3.281 0.553 -2.640 1.00 0.00 O ATOM 1700 CB ASP B 37 -4.531 -1.859 -4.280 1.00 0.00 C ATOM 1701 CG ASP B 37 -5.916 -1.862 -4.902 1.00 0.00 C ATOM 1702 OD1 ASP B 37 -6.056 -2.184 -6.112 1.00 0.00 O ATOM 1703 OD2 ASP B 37 -6.898 -1.527 -4.191 1.00 0.00 O ATOM 0 H ASP B 37 -2.923 -1.710 -6.225 1.00 0.00 H new ATOM 0 HA ASP B 37 -4.509 0.188 -4.762 1.00 0.00 H new ATOM 0 HB2 ASP B 37 -3.979 -2.739 -4.608 1.00 0.00 H new ATOM 0 HB3 ASP B 37 -4.615 -1.921 -3.195 1.00 0.00 H new ATOM 1708 N LEU B 38 -1.570 -0.395 -3.727 1.00 0.00 N ATOM 1709 CA LEU B 38 -0.548 0.154 -2.854 1.00 0.00 C ATOM 1710 C LEU B 38 -0.508 1.656 -3.037 1.00 0.00 C ATOM 1711 O LEU B 38 -0.482 2.411 -2.070 1.00 0.00 O ATOM 1712 CB LEU B 38 0.822 -0.469 -3.188 1.00 0.00 C ATOM 1713 CG LEU B 38 2.068 0.205 -2.600 1.00 0.00 C ATOM 1714 CD1 LEU B 38 2.007 0.280 -1.099 1.00 0.00 C ATOM 1715 CD2 LEU B 38 3.310 -0.533 -3.029 1.00 0.00 C ATOM 0 H LEU B 38 -1.210 -1.016 -4.452 1.00 0.00 H new ATOM 0 HA LEU B 38 -0.782 -0.078 -1.815 1.00 0.00 H new ATOM 0 HB2 LEU B 38 0.811 -1.506 -2.853 1.00 0.00 H new ATOM 0 HB3 LEU B 38 0.929 -0.486 -4.273 1.00 0.00 H new ATOM 0 HG LEU B 38 2.101 1.225 -2.983 1.00 0.00 H new ATOM 0 HD11 LEU B 38 2.908 0.764 -0.722 1.00 0.00 H new ATOM 0 HD12 LEU B 38 1.132 0.857 -0.799 1.00 0.00 H new ATOM 0 HD13 LEU B 38 1.936 -0.727 -0.687 1.00 0.00 H new ATOM 0 HD21 LEU B 38 4.188 -0.045 -2.605 1.00 0.00 H new ATOM 0 HD22 LEU B 38 3.261 -1.563 -2.676 1.00 0.00 H new ATOM 0 HD23 LEU B 38 3.380 -0.525 -4.117 1.00 0.00 H new ATOM 1727 N ASP B 39 -0.564 2.071 -4.287 1.00 0.00 N ATOM 1728 CA ASP B 39 -0.541 3.476 -4.651 1.00 0.00 C ATOM 1729 C ASP B 39 -1.744 4.186 -4.032 1.00 0.00 C ATOM 1730 O ASP B 39 -1.618 5.263 -3.443 1.00 0.00 O ATOM 1731 CB ASP B 39 -0.573 3.606 -6.172 1.00 0.00 C ATOM 1732 CG ASP B 39 -0.356 5.008 -6.664 1.00 0.00 C ATOM 1733 OD1 ASP B 39 -1.336 5.775 -6.798 1.00 0.00 O ATOM 1734 OD2 ASP B 39 0.798 5.359 -6.968 1.00 0.00 O ATOM 0 H ASP B 39 -0.627 1.439 -5.085 1.00 0.00 H new ATOM 0 HA ASP B 39 0.371 3.939 -4.274 1.00 0.00 H new ATOM 0 HB2 ASP B 39 0.193 2.958 -6.599 1.00 0.00 H new ATOM 0 HB3 ASP B 39 -1.535 3.247 -6.538 1.00 0.00 H new ATOM 1739 N LYS B 40 -2.897 3.539 -4.123 1.00 0.00 N ATOM 1740 CA LYS B 40 -4.135 4.060 -3.556 1.00 0.00 C ATOM 1741 C LYS B 40 -4.045 4.175 -2.030 1.00 0.00 C ATOM 1742 O LYS B 40 -4.475 5.185 -1.454 1.00 0.00 O ATOM 1743 CB LYS B 40 -5.322 3.174 -3.932 1.00 0.00 C ATOM 1744 CG LYS B 40 -5.572 3.052 -5.429 1.00 0.00 C ATOM 1745 CD LYS B 40 -6.747 2.134 -5.719 1.00 0.00 C ATOM 1746 CE LYS B 40 -6.908 1.861 -7.214 1.00 0.00 C ATOM 1747 NZ LYS B 40 -7.147 3.092 -8.006 1.00 0.00 N ATOM 0 H LYS B 40 -3.002 2.639 -4.591 1.00 0.00 H new ATOM 0 HA LYS B 40 -4.286 5.056 -3.972 1.00 0.00 H new ATOM 0 HB2 LYS B 40 -5.159 2.177 -3.522 1.00 0.00 H new ATOM 0 HB3 LYS B 40 -6.220 3.571 -3.458 1.00 0.00 H new ATOM 0 HG2 LYS B 40 -5.766 4.039 -5.849 1.00 0.00 H new ATOM 0 HG3 LYS B 40 -4.678 2.667 -5.919 1.00 0.00 H new ATOM 0 HD2 LYS B 40 -6.608 1.190 -5.192 1.00 0.00 H new ATOM 0 HD3 LYS B 40 -7.662 2.583 -5.332 1.00 0.00 H new ATOM 0 HE2 LYS B 40 -6.011 1.365 -7.586 1.00 0.00 H new ATOM 0 HE3 LYS B 40 -7.739 1.172 -7.364 1.00 0.00 H new ATOM 0 HZ1 LYS B 40 -7.282 2.841 -9.006 1.00 0.00 H new ATOM 0 HZ2 LYS B 40 -7.999 3.573 -7.652 1.00 0.00 H new ATOM 0 HZ3 LYS B 40 -6.328 3.727 -7.916 1.00 0.00 H new ATOM 1761 N LEU B 41 -3.481 3.149 -1.382 1.00 0.00 N ATOM 1762 CA LEU B 41 -3.314 3.142 0.074 1.00 0.00 C ATOM 1763 C LEU B 41 -2.396 4.270 0.515 1.00 0.00 C ATOM 1764 O LEU B 41 -2.649 4.936 1.524 1.00 0.00 O ATOM 1765 CB LEU B 41 -2.769 1.787 0.572 1.00 0.00 C ATOM 1766 CG LEU B 41 -2.476 1.692 2.086 1.00 0.00 C ATOM 1767 CD1 LEU B 41 -3.725 1.941 2.912 1.00 0.00 C ATOM 1768 CD2 LEU B 41 -1.856 0.353 2.445 1.00 0.00 C ATOM 0 H LEU B 41 -3.132 2.311 -1.846 1.00 0.00 H new ATOM 0 HA LEU B 41 -4.298 3.295 0.518 1.00 0.00 H new ATOM 0 HB2 LEU B 41 -3.488 1.010 0.311 1.00 0.00 H new ATOM 0 HB3 LEU B 41 -1.850 1.566 0.029 1.00 0.00 H new ATOM 0 HG LEU B 41 -1.755 2.475 2.324 1.00 0.00 H new ATOM 0 HD11 LEU B 41 -3.481 1.866 3.972 1.00 0.00 H new ATOM 0 HD12 LEU B 41 -4.110 2.938 2.698 1.00 0.00 H new ATOM 0 HD13 LEU B 41 -4.482 1.198 2.660 1.00 0.00 H new ATOM 0 HD21 LEU B 41 -1.662 0.318 3.517 1.00 0.00 H new ATOM 0 HD22 LEU B 41 -2.542 -0.450 2.174 1.00 0.00 H new ATOM 0 HD23 LEU B 41 -0.919 0.229 1.902 1.00 0.00 H new ATOM 1780 N ILE B 42 -1.351 4.492 -0.250 1.00 0.00 N ATOM 1781 CA ILE B 42 -0.410 5.554 0.047 1.00 0.00 C ATOM 1782 C ILE B 42 -1.101 6.901 -0.053 1.00 0.00 C ATOM 1783 O ILE B 42 -1.133 7.650 0.913 1.00 0.00 O ATOM 1784 CB ILE B 42 0.851 5.500 -0.870 1.00 0.00 C ATOM 1785 CG1 ILE B 42 1.638 4.214 -0.602 1.00 0.00 C ATOM 1786 CG2 ILE B 42 1.742 6.723 -0.663 1.00 0.00 C ATOM 1787 CD1 ILE B 42 2.900 4.068 -1.421 1.00 0.00 C ATOM 0 H ILE B 42 -1.129 3.951 -1.086 1.00 0.00 H new ATOM 0 HA ILE B 42 -0.058 5.410 1.068 1.00 0.00 H new ATOM 0 HB ILE B 42 0.517 5.505 -1.908 1.00 0.00 H new ATOM 0 HG12 ILE B 42 1.900 4.177 0.455 1.00 0.00 H new ATOM 0 HG13 ILE B 42 0.991 3.359 -0.800 1.00 0.00 H new ATOM 0 HG21 ILE B 42 2.612 6.654 -1.317 1.00 0.00 H new ATOM 0 HG22 ILE B 42 1.180 7.627 -0.900 1.00 0.00 H new ATOM 0 HG23 ILE B 42 2.071 6.762 0.375 1.00 0.00 H new ATOM 0 HD11 ILE B 42 3.393 3.130 -1.166 1.00 0.00 H new ATOM 0 HD12 ILE B 42 2.648 4.069 -2.481 1.00 0.00 H new ATOM 0 HD13 ILE B 42 3.571 4.900 -1.207 1.00 0.00 H new ATOM 1799 N ASN B 43 -1.723 7.163 -1.194 1.00 0.00 N ATOM 1800 CA ASN B 43 -2.433 8.433 -1.437 1.00 0.00 C ATOM 1801 C ASN B 43 -3.516 8.693 -0.405 1.00 0.00 C ATOM 1802 O ASN B 43 -3.727 9.837 -0.003 1.00 0.00 O ATOM 1803 CB ASN B 43 -3.001 8.512 -2.858 1.00 0.00 C ATOM 1804 CG ASN B 43 -1.926 8.785 -3.914 1.00 0.00 C ATOM 1805 OD1 ASN B 43 -1.628 9.938 -4.233 1.00 0.00 O ATOM 1806 ND2 ASN B 43 -1.350 7.757 -4.468 1.00 0.00 N ATOM 0 H ASN B 43 -1.756 6.513 -1.979 1.00 0.00 H new ATOM 0 HA ASN B 43 -1.688 9.222 -1.334 1.00 0.00 H new ATOM 0 HB2 ASN B 43 -3.506 7.576 -3.095 1.00 0.00 H new ATOM 0 HB3 ASN B 43 -3.753 9.300 -2.900 1.00 0.00 H new ATOM 0 HD21 ASN B 43 -0.635 7.896 -5.182 1.00 0.00 H new ATOM 0 HD22 ASN B 43 -1.613 6.812 -4.188 1.00 0.00 H new ATOM 1813 N LYS B 44 -4.153 7.619 0.055 1.00 0.00 N ATOM 1814 CA LYS B 44 -5.177 7.666 1.106 1.00 0.00 C ATOM 1815 C LYS B 44 -4.625 8.376 2.348 1.00 0.00 C ATOM 1816 O LYS B 44 -5.275 9.256 2.926 1.00 0.00 O ATOM 1817 CB LYS B 44 -5.559 6.232 1.490 1.00 0.00 C ATOM 1818 CG LYS B 44 -6.630 6.119 2.577 1.00 0.00 C ATOM 1819 CD LYS B 44 -6.742 4.698 3.116 1.00 0.00 C ATOM 1820 CE LYS B 44 -7.248 3.718 2.070 1.00 0.00 C ATOM 1821 NZ LYS B 44 -8.634 4.004 1.638 1.00 0.00 N ATOM 0 H LYS B 44 -3.973 6.677 -0.294 1.00 0.00 H new ATOM 0 HA LYS B 44 -6.047 8.209 0.735 1.00 0.00 H new ATOM 0 HB2 LYS B 44 -5.912 5.714 0.598 1.00 0.00 H new ATOM 0 HB3 LYS B 44 -4.663 5.711 1.828 1.00 0.00 H new ATOM 0 HG2 LYS B 44 -6.392 6.800 3.394 1.00 0.00 H new ATOM 0 HG3 LYS B 44 -7.593 6.431 2.172 1.00 0.00 H new ATOM 0 HD2 LYS B 44 -5.766 4.371 3.474 1.00 0.00 H new ATOM 0 HD3 LYS B 44 -7.415 4.690 3.973 1.00 0.00 H new ATOM 0 HE2 LYS B 44 -6.589 3.747 1.202 1.00 0.00 H new ATOM 0 HE3 LYS B 44 -7.200 2.706 2.473 1.00 0.00 H new ATOM 0 HZ1 LYS B 44 -8.986 3.216 1.058 1.00 0.00 H new ATOM 0 HZ2 LYS B 44 -9.242 4.117 2.474 1.00 0.00 H new ATOM 0 HZ3 LYS B 44 -8.649 4.880 1.078 1.00 0.00 H new ATOM 1835 N PHE B 45 -3.420 8.000 2.721 1.00 0.00 N ATOM 1836 CA PHE B 45 -2.757 8.541 3.887 1.00 0.00 C ATOM 1837 C PHE B 45 -2.040 9.840 3.603 1.00 0.00 C ATOM 1838 O PHE B 45 -1.830 10.645 4.500 1.00 0.00 O ATOM 1839 CB PHE B 45 -1.816 7.521 4.498 1.00 0.00 C ATOM 1840 CG PHE B 45 -2.513 6.552 5.395 1.00 0.00 C ATOM 1841 CD1 PHE B 45 -3.063 5.383 4.899 1.00 0.00 C ATOM 1842 CD2 PHE B 45 -2.627 6.827 6.749 1.00 0.00 C ATOM 1843 CE1 PHE B 45 -3.714 4.501 5.736 1.00 0.00 C ATOM 1844 CE2 PHE B 45 -3.277 5.949 7.591 1.00 0.00 C ATOM 1845 CZ PHE B 45 -3.822 4.783 7.082 1.00 0.00 C ATOM 0 H PHE B 45 -2.869 7.304 2.219 1.00 0.00 H new ATOM 0 HA PHE B 45 -3.538 8.770 4.612 1.00 0.00 H new ATOM 0 HB2 PHE B 45 -1.314 6.974 3.700 1.00 0.00 H new ATOM 0 HB3 PHE B 45 -1.043 8.041 5.064 1.00 0.00 H new ATOM 0 HD1 PHE B 45 -2.982 5.159 3.846 1.00 0.00 H new ATOM 0 HD2 PHE B 45 -2.203 7.737 7.148 1.00 0.00 H new ATOM 0 HE1 PHE B 45 -4.139 3.591 5.338 1.00 0.00 H new ATOM 0 HE2 PHE B 45 -3.360 6.171 8.645 1.00 0.00 H new ATOM 0 HZ PHE B 45 -4.332 4.094 7.739 1.00 0.00 H new ATOM 1855 N MET B 46 -1.697 10.069 2.349 1.00 0.00 N ATOM 1856 CA MET B 46 -1.035 11.314 1.959 1.00 0.00 C ATOM 1857 C MET B 46 -2.066 12.442 1.857 1.00 0.00 C ATOM 1858 O MET B 46 -1.735 13.581 1.518 1.00 0.00 O ATOM 1859 CB MET B 46 -0.341 11.179 0.611 1.00 0.00 C ATOM 1860 CG MET B 46 0.611 10.016 0.514 1.00 0.00 C ATOM 1861 SD MET B 46 1.828 10.241 -0.765 1.00 0.00 S ATOM 1862 CE MET B 46 2.799 11.494 0.043 1.00 0.00 C ATOM 0 H MET B 46 -1.862 9.417 1.582 1.00 0.00 H new ATOM 0 HA MET B 46 -0.290 11.540 2.722 1.00 0.00 H new ATOM 0 HB2 MET B 46 -1.099 11.078 -0.166 1.00 0.00 H new ATOM 0 HB3 MET B 46 0.206 12.099 0.404 1.00 0.00 H new ATOM 0 HG2 MET B 46 1.114 9.881 1.471 1.00 0.00 H new ATOM 0 HG3 MET B 46 0.047 9.104 0.319 1.00 0.00 H new ATOM 0 HE1 MET B 46 3.730 11.642 -0.505 1.00 0.00 H new ATOM 0 HE2 MET B 46 2.239 12.429 0.067 1.00 0.00 H new ATOM 0 HE3 MET B 46 3.024 11.179 1.062 1.00 0.00 H new