USER MOD reduce.3.24.130724 H: found=0, std=0, add=613, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 615 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 36 MET CE :methyl -155:sc= 0 (180deg=-0.276) USER MOD Set 1.2: B 51 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 13 LYS NZ :NH3+ 155:sc= 0.73 (180deg=0) USER MOD Set 2.2: A 17 SER OG : rot -30:sc= 0.658 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= -0.124 K(o=-0.12,f=-1.1) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 31:sc= -1.01! USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.205 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 87:sc= 1.28 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -0.022 K(o=-0.022,f=-2.6!) USER MOD Single : A 42 ASN : amide:sc= 0.131 K(o=0.13,f=-1.3) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.0274 USER MOD Single : A 49 GLN : amide:sc= -0.342 K(o=-0.34,f=-4.5!) USER MOD Single : A 51 MET CE :methyl -165:sc= -0.0517 (180deg=-0.436) USER MOD Single : A 53 ASN :FLIP amide:sc= -2.29! C(o=-3.7!,f=-2.3!) USER MOD Single : A 60 ASN : amide:sc= -0.0423 K(o=-0.042,f=-2.2!) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 76:sc= 0.0926 USER MOD Single : B 53 GLN : amide:sc= -0.0333 K(o=-0.033,f=-1.6!) USER MOD Single : B 61 GLN :FLIP amide:sc= -2.9! C(o=-5.4!,f=-2.9!) USER MOD Single : B 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 61 N THR A 5 -0.822 -16.919 -5.694 1.00 0.00 N ATOM 62 CA THR A 5 0.378 -17.684 -6.027 1.00 0.00 C ATOM 63 C THR A 5 1.567 -17.214 -5.185 1.00 0.00 C ATOM 64 O THR A 5 1.460 -16.243 -4.438 1.00 0.00 O ATOM 65 CB THR A 5 0.698 -17.519 -7.522 1.00 0.00 C ATOM 66 OG1 THR A 5 1.475 -18.625 -7.957 1.00 0.00 O ATOM 67 CG2 THR A 5 1.481 -16.223 -7.759 1.00 0.00 C ATOM 0 HA THR A 5 0.194 -18.736 -5.809 1.00 0.00 H new ATOM 0 HB THR A 5 -0.235 -17.474 -8.083 1.00 0.00 H new ATOM 0 HG1 THR A 5 1.680 -18.526 -8.910 1.00 0.00 H new ATOM 0 HG21 THR A 5 1.700 -16.120 -8.822 1.00 0.00 H new ATOM 0 HG22 THR A 5 0.886 -15.372 -7.427 1.00 0.00 H new ATOM 0 HG23 THR A 5 2.414 -16.254 -7.197 1.00 0.00 H new ATOM 75 N GLU A 6 2.695 -17.901 -5.317 1.00 0.00 N ATOM 76 CA GLU A 6 3.895 -17.532 -4.567 1.00 0.00 C ATOM 77 C GLU A 6 4.182 -16.045 -4.751 1.00 0.00 C ATOM 78 O GLU A 6 4.314 -15.301 -3.787 1.00 0.00 O ATOM 79 CB GLU A 6 5.083 -18.365 -5.062 1.00 0.00 C ATOM 80 CG GLU A 6 6.321 -18.078 -4.209 1.00 0.00 C ATOM 81 CD GLU A 6 7.492 -18.936 -4.686 1.00 0.00 C ATOM 82 OE1 GLU A 6 7.395 -19.491 -5.766 1.00 0.00 O ATOM 83 OE2 GLU A 6 8.470 -19.025 -3.957 1.00 0.00 O ATOM 0 H GLU A 6 2.807 -18.709 -5.929 1.00 0.00 H new ATOM 0 HA GLU A 6 3.737 -17.730 -3.507 1.00 0.00 H new ATOM 0 HB2 GLU A 6 4.838 -19.426 -5.015 1.00 0.00 H new ATOM 0 HB3 GLU A 6 5.290 -18.132 -6.107 1.00 0.00 H new ATOM 0 HG2 GLU A 6 6.582 -17.022 -4.275 1.00 0.00 H new ATOM 0 HG3 GLU A 6 6.108 -18.288 -3.161 1.00 0.00 H new ATOM 90 N GLU A 7 4.297 -15.612 -5.993 1.00 0.00 N ATOM 91 CA GLU A 7 4.575 -14.215 -6.264 1.00 0.00 C ATOM 92 C GLU A 7 3.707 -13.312 -5.385 1.00 0.00 C ATOM 93 O GLU A 7 4.208 -12.406 -4.724 1.00 0.00 O ATOM 94 CB GLU A 7 4.295 -13.942 -7.742 1.00 0.00 C ATOM 95 CG GLU A 7 4.405 -12.452 -8.069 1.00 0.00 C ATOM 96 CD GLU A 7 5.846 -11.979 -7.940 1.00 0.00 C ATOM 97 OE1 GLU A 7 6.710 -12.815 -7.743 1.00 0.00 O ATOM 98 OE2 GLU A 7 6.067 -10.782 -8.040 1.00 0.00 O ATOM 0 H GLU A 7 4.203 -16.200 -6.821 1.00 0.00 H new ATOM 0 HA GLU A 7 5.619 -13.999 -6.036 1.00 0.00 H new ATOM 0 HB2 GLU A 7 4.999 -14.503 -8.356 1.00 0.00 H new ATOM 0 HB3 GLU A 7 3.297 -14.298 -7.996 1.00 0.00 H new ATOM 0 HG2 GLU A 7 4.046 -12.269 -9.082 1.00 0.00 H new ATOM 0 HG3 GLU A 7 3.767 -11.879 -7.396 1.00 0.00 H new ATOM 105 N GLN A 8 2.399 -13.536 -5.429 1.00 0.00 N ATOM 106 CA GLN A 8 1.450 -12.716 -4.685 1.00 0.00 C ATOM 107 C GLN A 8 1.886 -12.446 -3.250 1.00 0.00 C ATOM 108 O GLN A 8 2.035 -11.288 -2.856 1.00 0.00 O ATOM 109 CB GLN A 8 0.100 -13.426 -4.673 1.00 0.00 C ATOM 110 CG GLN A 8 -1.013 -12.437 -4.293 1.00 0.00 C ATOM 111 CD GLN A 8 -1.284 -11.464 -5.440 1.00 0.00 C ATOM 112 OE1 GLN A 8 -1.232 -11.848 -6.607 1.00 0.00 O ATOM 113 NE2 GLN A 8 -1.590 -10.223 -5.176 1.00 0.00 N ATOM 0 H GLN A 8 1.970 -14.283 -5.975 1.00 0.00 H new ATOM 0 HA GLN A 8 1.391 -11.749 -5.184 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -0.103 -13.855 -5.654 1.00 0.00 H new ATOM 0 HB3 GLN A 8 0.121 -14.252 -3.963 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -1.924 -12.983 -4.049 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -0.725 -11.883 -3.400 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -1.633 -9.903 -4.208 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -1.786 -9.573 -5.937 1.00 0.00 H new ATOM 122 N ILE A 9 2.067 -13.493 -2.461 1.00 0.00 N ATOM 123 CA ILE A 9 2.442 -13.292 -1.065 1.00 0.00 C ATOM 124 C ILE A 9 3.716 -12.450 -0.968 1.00 0.00 C ATOM 125 O ILE A 9 3.778 -11.479 -0.205 1.00 0.00 O ATOM 126 CB ILE A 9 2.618 -14.640 -0.353 1.00 0.00 C ATOM 127 CG1 ILE A 9 3.424 -15.588 -1.242 1.00 0.00 C ATOM 128 CG2 ILE A 9 1.245 -15.255 -0.085 1.00 0.00 C ATOM 129 CD1 ILE A 9 3.742 -16.887 -0.495 1.00 0.00 C ATOM 0 H ILE A 9 1.965 -14.466 -2.749 1.00 0.00 H new ATOM 0 HA ILE A 9 1.639 -12.750 -0.566 1.00 0.00 H new ATOM 0 HB ILE A 9 3.144 -14.484 0.589 1.00 0.00 H new ATOM 0 HG12 ILE A 9 2.861 -15.812 -2.148 1.00 0.00 H new ATOM 0 HG13 ILE A 9 4.350 -15.105 -1.553 1.00 0.00 H new ATOM 0 HG21 ILE A 9 1.368 -16.213 0.421 1.00 0.00 H new ATOM 0 HG22 ILE A 9 0.662 -14.584 0.546 1.00 0.00 H new ATOM 0 HG23 ILE A 9 0.724 -15.408 -1.030 1.00 0.00 H new ATOM 0 HD11 ILE A 9 4.316 -17.549 -1.144 1.00 0.00 H new ATOM 0 HD12 ILE A 9 4.324 -16.660 0.398 1.00 0.00 H new ATOM 0 HD13 ILE A 9 2.812 -17.378 -0.207 1.00 0.00 H new ATOM 141 N ALA A 10 4.725 -12.806 -1.749 1.00 0.00 N ATOM 142 CA ALA A 10 5.977 -12.066 -1.740 1.00 0.00 C ATOM 143 C ALA A 10 5.737 -10.631 -2.190 1.00 0.00 C ATOM 144 O ALA A 10 6.379 -9.698 -1.709 1.00 0.00 O ATOM 145 CB ALA A 10 6.976 -12.739 -2.682 1.00 0.00 C ATOM 0 H ALA A 10 4.702 -13.597 -2.393 1.00 0.00 H new ATOM 0 HA ALA A 10 6.380 -12.059 -0.727 1.00 0.00 H new ATOM 0 HB1 ALA A 10 7.914 -12.184 -2.675 1.00 0.00 H new ATOM 0 HB2 ALA A 10 7.157 -13.761 -2.350 1.00 0.00 H new ATOM 0 HB3 ALA A 10 6.570 -12.752 -3.694 1.00 0.00 H new ATOM 151 N GLU A 11 4.810 -10.475 -3.123 1.00 0.00 N ATOM 152 CA GLU A 11 4.482 -9.163 -3.665 1.00 0.00 C ATOM 153 C GLU A 11 4.017 -8.214 -2.565 1.00 0.00 C ATOM 154 O GLU A 11 4.478 -7.076 -2.484 1.00 0.00 O ATOM 155 CB GLU A 11 3.380 -9.311 -4.721 1.00 0.00 C ATOM 156 CG GLU A 11 3.336 -8.069 -5.612 1.00 0.00 C ATOM 157 CD GLU A 11 4.574 -8.021 -6.502 1.00 0.00 C ATOM 158 OE1 GLU A 11 5.197 -9.055 -6.677 1.00 0.00 O ATOM 159 OE2 GLU A 11 4.879 -6.948 -6.994 1.00 0.00 O ATOM 0 H GLU A 11 4.270 -11.242 -3.522 1.00 0.00 H new ATOM 0 HA GLU A 11 5.379 -8.742 -4.119 1.00 0.00 H new ATOM 0 HB2 GLU A 11 3.564 -10.197 -5.328 1.00 0.00 H new ATOM 0 HB3 GLU A 11 2.415 -9.453 -4.234 1.00 0.00 H new ATOM 0 HG2 GLU A 11 2.436 -8.084 -6.227 1.00 0.00 H new ATOM 0 HG3 GLU A 11 3.286 -7.171 -4.996 1.00 0.00 H new ATOM 166 N PHE A 12 3.105 -8.677 -1.720 1.00 0.00 N ATOM 167 CA PHE A 12 2.598 -7.845 -0.641 1.00 0.00 C ATOM 168 C PHE A 12 3.721 -7.512 0.346 1.00 0.00 C ATOM 169 O PHE A 12 3.816 -6.383 0.830 1.00 0.00 O ATOM 170 CB PHE A 12 1.411 -8.571 0.043 1.00 0.00 C ATOM 171 CG PHE A 12 1.761 -9.017 1.454 1.00 0.00 C ATOM 172 CD1 PHE A 12 1.935 -8.065 2.463 1.00 0.00 C ATOM 173 CD2 PHE A 12 1.927 -10.376 1.741 1.00 0.00 C ATOM 174 CE1 PHE A 12 2.273 -8.472 3.755 1.00 0.00 C ATOM 175 CE2 PHE A 12 2.270 -10.784 3.034 1.00 0.00 C ATOM 176 CZ PHE A 12 2.444 -9.833 4.042 1.00 0.00 C ATOM 0 H PHE A 12 2.706 -9.615 -1.761 1.00 0.00 H new ATOM 0 HA PHE A 12 2.234 -6.897 -1.036 1.00 0.00 H new ATOM 0 HB2 PHE A 12 0.548 -7.906 0.075 1.00 0.00 H new ATOM 0 HB3 PHE A 12 1.123 -9.438 -0.552 1.00 0.00 H new ATOM 0 HD1 PHE A 12 1.808 -7.015 2.243 1.00 0.00 H new ATOM 0 HD2 PHE A 12 1.790 -11.112 0.962 1.00 0.00 H new ATOM 0 HE1 PHE A 12 2.403 -7.736 4.535 1.00 0.00 H new ATOM 0 HE2 PHE A 12 2.400 -11.834 3.253 1.00 0.00 H new ATOM 0 HZ PHE A 12 2.710 -10.146 5.041 1.00 0.00 H new ATOM 186 N LYS A 13 4.554 -8.505 0.652 1.00 0.00 N ATOM 187 CA LYS A 13 5.639 -8.298 1.597 1.00 0.00 C ATOM 188 C LYS A 13 6.534 -7.162 1.097 1.00 0.00 C ATOM 189 O LYS A 13 6.865 -6.243 1.846 1.00 0.00 O ATOM 190 CB LYS A 13 6.435 -9.612 1.733 1.00 0.00 C ATOM 191 CG LYS A 13 7.069 -9.742 3.125 1.00 0.00 C ATOM 192 CD LYS A 13 8.209 -8.740 3.269 1.00 0.00 C ATOM 193 CE LYS A 13 8.913 -8.973 4.597 1.00 0.00 C ATOM 194 NZ LYS A 13 10.007 -7.972 4.744 1.00 0.00 N ATOM 0 H LYS A 13 4.497 -9.446 0.264 1.00 0.00 H new ATOM 0 HA LYS A 13 5.248 -8.020 2.576 1.00 0.00 H new ATOM 0 HB2 LYS A 13 5.774 -10.460 1.552 1.00 0.00 H new ATOM 0 HB3 LYS A 13 7.214 -9.647 0.972 1.00 0.00 H new ATOM 0 HG2 LYS A 13 6.318 -9.565 3.895 1.00 0.00 H new ATOM 0 HG3 LYS A 13 7.443 -10.755 3.271 1.00 0.00 H new ATOM 0 HD2 LYS A 13 8.914 -8.852 2.445 1.00 0.00 H new ATOM 0 HD3 LYS A 13 7.823 -7.722 3.222 1.00 0.00 H new ATOM 0 HE2 LYS A 13 8.205 -8.881 5.421 1.00 0.00 H new ATOM 0 HE3 LYS A 13 9.319 -9.984 4.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 10.210 -7.826 5.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 10.862 -8.320 4.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 9.713 -7.071 4.316 1.00 0.00 H new ATOM 208 N GLU A 14 6.895 -7.213 -0.179 1.00 0.00 N ATOM 209 CA GLU A 14 7.734 -6.171 -0.755 1.00 0.00 C ATOM 210 C GLU A 14 7.067 -4.808 -0.610 1.00 0.00 C ATOM 211 O GLU A 14 7.650 -3.880 -0.049 1.00 0.00 O ATOM 212 CB GLU A 14 7.980 -6.461 -2.234 1.00 0.00 C ATOM 213 CG GLU A 14 8.865 -7.701 -2.374 1.00 0.00 C ATOM 214 CD GLU A 14 9.047 -8.052 -3.845 1.00 0.00 C ATOM 215 OE1 GLU A 14 8.484 -7.355 -4.672 1.00 0.00 O ATOM 216 OE2 GLU A 14 9.742 -9.016 -4.124 1.00 0.00 O ATOM 0 H GLU A 14 6.625 -7.953 -0.826 1.00 0.00 H new ATOM 0 HA GLU A 14 8.685 -6.159 -0.222 1.00 0.00 H new ATOM 0 HB2 GLU A 14 7.031 -6.619 -2.747 1.00 0.00 H new ATOM 0 HB3 GLU A 14 8.459 -5.604 -2.708 1.00 0.00 H new ATOM 0 HG2 GLU A 14 9.836 -7.518 -1.913 1.00 0.00 H new ATOM 0 HG3 GLU A 14 8.414 -8.541 -1.845 1.00 0.00 H new ATOM 223 N ALA A 15 5.841 -4.696 -1.107 1.00 0.00 N ATOM 224 CA ALA A 15 5.108 -3.438 -1.025 1.00 0.00 C ATOM 225 C ALA A 15 5.010 -2.974 0.426 1.00 0.00 C ATOM 226 O ALA A 15 5.205 -1.794 0.729 1.00 0.00 O ATOM 227 CB ALA A 15 3.707 -3.624 -1.615 1.00 0.00 C ATOM 0 H ALA A 15 5.337 -5.454 -1.567 1.00 0.00 H new ATOM 0 HA ALA A 15 5.641 -2.677 -1.595 1.00 0.00 H new ATOM 0 HB1 ALA A 15 3.159 -2.684 -1.554 1.00 0.00 H new ATOM 0 HB2 ALA A 15 3.789 -3.929 -2.658 1.00 0.00 H new ATOM 0 HB3 ALA A 15 3.175 -4.392 -1.053 1.00 0.00 H new ATOM 233 N PHE A 16 4.734 -3.911 1.321 1.00 0.00 N ATOM 234 CA PHE A 16 4.633 -3.589 2.740 1.00 0.00 C ATOM 235 C PHE A 16 5.939 -2.964 3.242 1.00 0.00 C ATOM 236 O PHE A 16 5.933 -1.909 3.876 1.00 0.00 O ATOM 237 CB PHE A 16 4.302 -4.884 3.517 1.00 0.00 C ATOM 238 CG PHE A 16 4.992 -4.894 4.869 1.00 0.00 C ATOM 239 CD1 PHE A 16 4.756 -3.868 5.788 1.00 0.00 C ATOM 240 CD2 PHE A 16 5.908 -5.911 5.173 1.00 0.00 C ATOM 241 CE1 PHE A 16 5.435 -3.857 7.010 1.00 0.00 C ATOM 242 CE2 PHE A 16 6.579 -5.903 6.397 1.00 0.00 C ATOM 243 CZ PHE A 16 6.347 -4.875 7.313 1.00 0.00 C ATOM 0 H PHE A 16 4.577 -4.893 1.095 1.00 0.00 H new ATOM 0 HA PHE A 16 3.839 -2.859 2.900 1.00 0.00 H new ATOM 0 HB2 PHE A 16 3.224 -4.966 3.654 1.00 0.00 H new ATOM 0 HB3 PHE A 16 4.616 -5.752 2.937 1.00 0.00 H new ATOM 0 HD1 PHE A 16 4.050 -3.085 5.555 1.00 0.00 H new ATOM 0 HD2 PHE A 16 6.094 -6.701 4.460 1.00 0.00 H new ATOM 0 HE1 PHE A 16 5.256 -3.063 7.720 1.00 0.00 H new ATOM 0 HE2 PHE A 16 7.277 -6.692 6.635 1.00 0.00 H new ATOM 0 HZ PHE A 16 6.872 -4.865 8.257 1.00 0.00 H new ATOM 253 N SER A 17 7.046 -3.631 2.960 1.00 0.00 N ATOM 254 CA SER A 17 8.350 -3.149 3.392 1.00 0.00 C ATOM 255 C SER A 17 8.616 -1.740 2.873 1.00 0.00 C ATOM 256 O SER A 17 9.258 -0.936 3.550 1.00 0.00 O ATOM 257 CB SER A 17 9.445 -4.087 2.880 1.00 0.00 C ATOM 258 OG SER A 17 9.357 -5.331 3.564 1.00 0.00 O ATOM 0 H SER A 17 7.069 -4.505 2.435 1.00 0.00 H new ATOM 0 HA SER A 17 8.356 -3.126 4.482 1.00 0.00 H new ATOM 0 HB2 SER A 17 9.335 -4.241 1.806 1.00 0.00 H new ATOM 0 HB3 SER A 17 10.426 -3.640 3.039 1.00 0.00 H new ATOM 0 HG SER A 17 9.002 -5.184 4.466 1.00 0.00 H new ATOM 264 N LEU A 18 8.130 -1.444 1.671 1.00 0.00 N ATOM 265 CA LEU A 18 8.345 -0.123 1.085 1.00 0.00 C ATOM 266 C LEU A 18 7.617 0.957 1.878 1.00 0.00 C ATOM 267 O LEU A 18 8.162 2.033 2.126 1.00 0.00 O ATOM 268 CB LEU A 18 7.858 -0.099 -0.368 1.00 0.00 C ATOM 269 CG LEU A 18 8.745 -1.002 -1.244 1.00 0.00 C ATOM 270 CD1 LEU A 18 8.153 -1.087 -2.658 1.00 0.00 C ATOM 271 CD2 LEU A 18 10.182 -0.448 -1.314 1.00 0.00 C ATOM 0 H LEU A 18 7.593 -2.089 1.091 1.00 0.00 H new ATOM 0 HA LEU A 18 9.415 0.082 1.116 1.00 0.00 H new ATOM 0 HB2 LEU A 18 6.823 -0.437 -0.417 1.00 0.00 H new ATOM 0 HB3 LEU A 18 7.879 0.922 -0.749 1.00 0.00 H new ATOM 0 HG LEU A 18 8.778 -1.997 -0.800 1.00 0.00 H new ATOM 0 HD11 LEU A 18 8.782 -1.726 -3.278 1.00 0.00 H new ATOM 0 HD12 LEU A 18 7.148 -1.506 -2.607 1.00 0.00 H new ATOM 0 HD13 LEU A 18 8.109 -0.089 -3.094 1.00 0.00 H new ATOM 0 HD21 LEU A 18 10.793 -1.100 -1.938 1.00 0.00 H new ATOM 0 HD22 LEU A 18 10.165 0.554 -1.744 1.00 0.00 H new ATOM 0 HD23 LEU A 18 10.605 -0.405 -0.310 1.00 0.00 H new ATOM 283 N PHE A 19 6.376 0.678 2.262 1.00 0.00 N ATOM 284 CA PHE A 19 5.592 1.655 3.009 1.00 0.00 C ATOM 285 C PHE A 19 6.148 1.876 4.412 1.00 0.00 C ATOM 286 O PHE A 19 6.334 3.012 4.836 1.00 0.00 O ATOM 287 CB PHE A 19 4.145 1.200 3.102 1.00 0.00 C ATOM 288 CG PHE A 19 3.538 1.156 1.720 1.00 0.00 C ATOM 289 CD1 PHE A 19 3.381 2.335 0.977 1.00 0.00 C ATOM 290 CD2 PHE A 19 3.130 -0.066 1.179 1.00 0.00 C ATOM 291 CE1 PHE A 19 2.818 2.283 -0.305 1.00 0.00 C ATOM 292 CE2 PHE A 19 2.571 -0.118 -0.095 1.00 0.00 C ATOM 293 CZ PHE A 19 2.412 1.055 -0.840 1.00 0.00 C ATOM 0 H PHE A 19 5.897 -0.202 2.072 1.00 0.00 H new ATOM 0 HA PHE A 19 5.649 2.601 2.471 1.00 0.00 H new ATOM 0 HB2 PHE A 19 4.092 0.215 3.565 1.00 0.00 H new ATOM 0 HB3 PHE A 19 3.579 1.881 3.737 1.00 0.00 H new ATOM 0 HD1 PHE A 19 3.694 3.282 1.392 1.00 0.00 H new ATOM 0 HD2 PHE A 19 3.249 -0.974 1.752 1.00 0.00 H new ATOM 0 HE1 PHE A 19 2.697 3.189 -0.880 1.00 0.00 H new ATOM 0 HE2 PHE A 19 2.260 -1.066 -0.509 1.00 0.00 H new ATOM 0 HZ PHE A 19 1.976 1.013 -1.827 1.00 0.00 H new ATOM 303 N ASP A 20 6.406 0.793 5.135 1.00 0.00 N ATOM 304 CA ASP A 20 6.937 0.912 6.490 1.00 0.00 C ATOM 305 C ASP A 20 8.318 1.572 6.466 1.00 0.00 C ATOM 306 O ASP A 20 9.342 0.894 6.548 1.00 0.00 O ATOM 307 CB ASP A 20 7.051 -0.479 7.118 1.00 0.00 C ATOM 308 CG ASP A 20 7.230 -0.366 8.627 1.00 0.00 C ATOM 309 OD1 ASP A 20 6.995 0.705 9.155 1.00 0.00 O ATOM 310 OD2 ASP A 20 7.602 -1.357 9.230 1.00 0.00 O ATOM 0 H ASP A 20 6.260 -0.164 4.814 1.00 0.00 H new ATOM 0 HA ASP A 20 6.260 1.530 7.079 1.00 0.00 H new ATOM 0 HB2 ASP A 20 6.157 -1.061 6.894 1.00 0.00 H new ATOM 0 HB3 ASP A 20 7.896 -1.013 6.684 1.00 0.00 H new ATOM 315 N LYS A 21 8.340 2.903 6.338 1.00 0.00 N ATOM 316 CA LYS A 21 9.608 3.629 6.291 1.00 0.00 C ATOM 317 C LYS A 21 10.380 3.441 7.591 1.00 0.00 C ATOM 318 O LYS A 21 11.552 3.062 7.573 1.00 0.00 O ATOM 319 CB LYS A 21 9.366 5.128 6.071 1.00 0.00 C ATOM 320 CG LYS A 21 8.352 5.369 4.940 1.00 0.00 C ATOM 321 CD LYS A 21 8.773 4.666 3.642 1.00 0.00 C ATOM 322 CE LYS A 21 10.159 5.157 3.210 1.00 0.00 C ATOM 323 NZ LYS A 21 10.366 4.840 1.770 1.00 0.00 N ATOM 0 H LYS A 21 7.508 3.489 6.266 1.00 0.00 H new ATOM 0 HA LYS A 21 10.189 3.229 5.460 1.00 0.00 H new ATOM 0 HB2 LYS A 21 9.000 5.579 6.993 1.00 0.00 H new ATOM 0 HB3 LYS A 21 10.308 5.619 5.829 1.00 0.00 H new ATOM 0 HG2 LYS A 21 7.371 5.008 5.248 1.00 0.00 H new ATOM 0 HG3 LYS A 21 8.256 6.440 4.759 1.00 0.00 H new ATOM 0 HD2 LYS A 21 8.790 3.586 3.792 1.00 0.00 H new ATOM 0 HD3 LYS A 21 8.045 4.867 2.856 1.00 0.00 H new ATOM 0 HE2 LYS A 21 10.244 6.231 3.374 1.00 0.00 H new ATOM 0 HE3 LYS A 21 10.931 4.680 3.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 11.306 5.172 1.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 10.301 3.812 1.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 9.636 5.315 1.202 1.00 0.00 H new ATOM 337 N ASP A 22 9.732 3.720 8.717 1.00 0.00 N ATOM 338 CA ASP A 22 10.392 3.583 10.004 1.00 0.00 C ATOM 339 C ASP A 22 10.762 2.125 10.242 1.00 0.00 C ATOM 340 O ASP A 22 11.602 1.813 11.085 1.00 0.00 O ATOM 341 CB ASP A 22 9.467 4.081 11.115 1.00 0.00 C ATOM 342 CG ASP A 22 8.260 3.160 11.243 1.00 0.00 C ATOM 343 OD1 ASP A 22 7.908 2.539 10.258 1.00 0.00 O ATOM 344 OD2 ASP A 22 7.705 3.093 12.325 1.00 0.00 O ATOM 0 H ASP A 22 8.764 4.038 8.763 1.00 0.00 H new ATOM 0 HA ASP A 22 11.302 4.182 10.007 1.00 0.00 H new ATOM 0 HB2 ASP A 22 10.008 4.118 12.060 1.00 0.00 H new ATOM 0 HB3 ASP A 22 9.138 5.097 10.897 1.00 0.00 H new ATOM 349 N GLY A 23 10.140 1.237 9.473 1.00 0.00 N ATOM 350 CA GLY A 23 10.420 -0.192 9.581 1.00 0.00 C ATOM 351 C GLY A 23 10.095 -0.735 10.971 1.00 0.00 C ATOM 352 O GLY A 23 10.862 -1.521 11.525 1.00 0.00 O ATOM 0 H GLY A 23 9.441 1.480 8.771 1.00 0.00 H new ATOM 0 HA2 GLY A 23 9.838 -0.733 8.835 1.00 0.00 H new ATOM 0 HA3 GLY A 23 11.471 -0.373 9.358 1.00 0.00 H new ATOM 356 N ASP A 24 8.960 -0.321 11.538 1.00 0.00 N ATOM 357 CA ASP A 24 8.570 -0.798 12.871 1.00 0.00 C ATOM 358 C ASP A 24 7.657 -2.023 12.774 1.00 0.00 C ATOM 359 O ASP A 24 7.255 -2.595 13.789 1.00 0.00 O ATOM 360 CB ASP A 24 7.863 0.321 13.640 1.00 0.00 C ATOM 361 CG ASP A 24 6.469 0.573 13.072 1.00 0.00 C ATOM 362 OD1 ASP A 24 6.143 -0.026 12.065 1.00 0.00 O ATOM 363 OD2 ASP A 24 5.748 1.365 13.658 1.00 0.00 O ATOM 0 H ASP A 24 8.304 0.331 11.107 1.00 0.00 H new ATOM 0 HA ASP A 24 9.474 -1.090 13.406 1.00 0.00 H new ATOM 0 HB2 ASP A 24 7.788 0.053 14.694 1.00 0.00 H new ATOM 0 HB3 ASP A 24 8.454 1.235 13.585 1.00 0.00 H new ATOM 368 N GLY A 25 7.330 -2.420 11.543 1.00 0.00 N ATOM 369 CA GLY A 25 6.461 -3.580 11.311 1.00 0.00 C ATOM 370 C GLY A 25 5.020 -3.154 11.032 1.00 0.00 C ATOM 371 O GLY A 25 4.115 -3.985 10.976 1.00 0.00 O ATOM 0 H GLY A 25 7.652 -1.958 10.692 1.00 0.00 H new ATOM 0 HA2 GLY A 25 6.840 -4.157 10.468 1.00 0.00 H new ATOM 0 HA3 GLY A 25 6.486 -4.234 12.182 1.00 0.00 H new ATOM 375 N THR A 26 4.819 -1.851 10.862 1.00 0.00 N ATOM 376 CA THR A 26 3.489 -1.307 10.589 1.00 0.00 C ATOM 377 C THR A 26 3.590 -0.137 9.615 1.00 0.00 C ATOM 378 O THR A 26 4.669 0.418 9.404 1.00 0.00 O ATOM 379 CB THR A 26 2.843 -0.836 11.903 1.00 0.00 C ATOM 380 OG1 THR A 26 3.841 -0.245 12.727 1.00 0.00 O ATOM 381 CG2 THR A 26 2.212 -2.026 12.634 1.00 0.00 C ATOM 0 H THR A 26 5.559 -1.150 10.908 1.00 0.00 H new ATOM 0 HA THR A 26 2.872 -2.086 10.142 1.00 0.00 H new ATOM 0 HB THR A 26 2.065 -0.105 11.682 1.00 0.00 H new ATOM 0 HG1 THR A 26 4.526 0.171 12.163 1.00 0.00 H new ATOM 0 HG21 THR A 26 1.757 -1.683 13.563 1.00 0.00 H new ATOM 0 HG22 THR A 26 1.448 -2.478 12.001 1.00 0.00 H new ATOM 0 HG23 THR A 26 2.981 -2.765 12.858 1.00 0.00 H new ATOM 389 N ILE A 27 2.451 0.247 9.041 1.00 0.00 N ATOM 390 CA ILE A 27 2.402 1.377 8.113 1.00 0.00 C ATOM 391 C ILE A 27 1.547 2.479 8.721 1.00 0.00 C ATOM 392 O ILE A 27 0.495 2.210 9.302 1.00 0.00 O ATOM 393 CB ILE A 27 1.828 0.945 6.765 1.00 0.00 C ATOM 394 CG1 ILE A 27 2.786 -0.045 6.092 1.00 0.00 C ATOM 395 CG2 ILE A 27 1.626 2.175 5.871 1.00 0.00 C ATOM 396 CD1 ILE A 27 2.092 -0.693 4.885 1.00 0.00 C ATOM 0 H ILE A 27 1.551 -0.206 9.201 1.00 0.00 H new ATOM 0 HA ILE A 27 3.413 1.747 7.944 1.00 0.00 H new ATOM 0 HB ILE A 27 0.865 0.458 6.919 1.00 0.00 H new ATOM 0 HG12 ILE A 27 3.691 0.470 5.771 1.00 0.00 H new ATOM 0 HG13 ILE A 27 3.092 -0.812 6.804 1.00 0.00 H new ATOM 0 HG21 ILE A 27 1.216 1.863 4.910 1.00 0.00 H new ATOM 0 HG22 ILE A 27 0.934 2.866 6.353 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.584 2.671 5.713 1.00 0.00 H new ATOM 0 HD11 ILE A 27 2.774 -1.396 4.408 1.00 0.00 H new ATOM 0 HD12 ILE A 27 1.200 -1.223 5.219 1.00 0.00 H new ATOM 0 HD13 ILE A 27 1.809 0.080 4.170 1.00 0.00 H new ATOM 408 N THR A 28 2.012 3.720 8.600 1.00 0.00 N ATOM 409 CA THR A 28 1.295 4.868 9.161 1.00 0.00 C ATOM 410 C THR A 28 0.890 5.851 8.068 1.00 0.00 C ATOM 411 O THR A 28 1.334 5.747 6.925 1.00 0.00 O ATOM 412 CB THR A 28 2.191 5.575 10.189 1.00 0.00 C ATOM 413 OG1 THR A 28 2.576 4.645 11.192 1.00 0.00 O ATOM 414 CG2 THR A 28 1.433 6.739 10.838 1.00 0.00 C ATOM 0 H THR A 28 2.880 3.959 8.120 1.00 0.00 H new ATOM 0 HA THR A 28 0.388 4.507 9.645 1.00 0.00 H new ATOM 0 HB THR A 28 3.075 5.965 9.685 1.00 0.00 H new ATOM 0 HG1 THR A 28 3.149 5.092 11.849 1.00 0.00 H new ATOM 0 HG21 THR A 28 2.078 7.233 11.565 1.00 0.00 H new ATOM 0 HG22 THR A 28 1.138 7.454 10.070 1.00 0.00 H new ATOM 0 HG23 THR A 28 0.544 6.359 11.341 1.00 0.00 H new ATOM 422 N THR A 29 0.041 6.803 8.437 1.00 0.00 N ATOM 423 CA THR A 29 -0.433 7.811 7.496 1.00 0.00 C ATOM 424 C THR A 29 0.729 8.640 6.969 1.00 0.00 C ATOM 425 O THR A 29 0.823 8.912 5.771 1.00 0.00 O ATOM 426 CB THR A 29 -1.441 8.732 8.196 1.00 0.00 C ATOM 427 OG1 THR A 29 -0.790 9.418 9.257 1.00 0.00 O ATOM 428 CG2 THR A 29 -2.603 7.904 8.761 1.00 0.00 C ATOM 0 H THR A 29 -0.333 6.898 9.381 1.00 0.00 H new ATOM 0 HA THR A 29 -0.913 7.307 6.657 1.00 0.00 H new ATOM 0 HB THR A 29 -1.832 9.451 7.476 1.00 0.00 H new ATOM 0 HG1 THR A 29 -1.430 10.009 9.706 1.00 0.00 H new ATOM 0 HG21 THR A 29 -3.314 8.565 9.256 1.00 0.00 H new ATOM 0 HG22 THR A 29 -3.103 7.377 7.948 1.00 0.00 H new ATOM 0 HG23 THR A 29 -2.218 7.181 9.480 1.00 0.00 H new ATOM 436 N LYS A 30 1.606 9.041 7.876 1.00 0.00 N ATOM 437 CA LYS A 30 2.765 9.843 7.507 1.00 0.00 C ATOM 438 C LYS A 30 3.728 9.036 6.641 1.00 0.00 C ATOM 439 O LYS A 30 4.253 9.538 5.646 1.00 0.00 O ATOM 440 CB LYS A 30 3.474 10.339 8.771 1.00 0.00 C ATOM 441 CG LYS A 30 2.576 11.349 9.496 1.00 0.00 C ATOM 442 CD LYS A 30 3.267 11.817 10.779 1.00 0.00 C ATOM 443 CE LYS A 30 2.380 12.838 11.500 1.00 0.00 C ATOM 444 NZ LYS A 30 3.194 13.573 12.511 1.00 0.00 N ATOM 0 H LYS A 30 1.539 8.826 8.871 1.00 0.00 H new ATOM 0 HA LYS A 30 2.426 10.701 6.927 1.00 0.00 H new ATOM 0 HB2 LYS A 30 3.700 9.499 9.428 1.00 0.00 H new ATOM 0 HB3 LYS A 30 4.425 10.803 8.509 1.00 0.00 H new ATOM 0 HG2 LYS A 30 2.373 12.202 8.848 1.00 0.00 H new ATOM 0 HG3 LYS A 30 1.615 10.893 9.733 1.00 0.00 H new ATOM 0 HD2 LYS A 30 3.461 10.965 11.431 1.00 0.00 H new ATOM 0 HD3 LYS A 30 4.233 12.263 10.542 1.00 0.00 H new ATOM 0 HE2 LYS A 30 1.954 13.538 10.781 1.00 0.00 H new ATOM 0 HE3 LYS A 30 1.546 12.333 11.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 2.594 14.267 13.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 3.580 12.899 13.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 3.976 14.067 12.035 1.00 0.00 H new ATOM 458 N GLU A 31 3.944 7.777 7.015 1.00 0.00 N ATOM 459 CA GLU A 31 4.834 6.909 6.251 1.00 0.00 C ATOM 460 C GLU A 31 4.352 6.814 4.809 1.00 0.00 C ATOM 461 O GLU A 31 5.082 7.144 3.872 1.00 0.00 O ATOM 462 CB GLU A 31 4.866 5.515 6.892 1.00 0.00 C ATOM 463 CG GLU A 31 5.687 5.567 8.181 1.00 0.00 C ATOM 464 CD GLU A 31 5.669 4.209 8.870 1.00 0.00 C ATOM 465 OE1 GLU A 31 5.147 3.276 8.286 1.00 0.00 O ATOM 466 OE2 GLU A 31 6.177 4.122 9.975 1.00 0.00 O ATOM 0 H GLU A 31 3.520 7.340 7.833 1.00 0.00 H new ATOM 0 HA GLU A 31 5.841 7.327 6.257 1.00 0.00 H new ATOM 0 HB2 GLU A 31 3.852 5.178 7.107 1.00 0.00 H new ATOM 0 HB3 GLU A 31 5.301 4.794 6.200 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.714 5.855 7.956 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.282 6.327 8.849 1.00 0.00 H new ATOM 473 N LEU A 32 3.111 6.383 4.639 1.00 0.00 N ATOM 474 CA LEU A 32 2.528 6.271 3.305 1.00 0.00 C ATOM 475 C LEU A 32 2.473 7.631 2.631 1.00 0.00 C ATOM 476 O LEU A 32 2.835 7.769 1.461 1.00 0.00 O ATOM 477 CB LEU A 32 1.118 5.676 3.431 1.00 0.00 C ATOM 478 CG LEU A 32 0.311 5.834 2.137 1.00 0.00 C ATOM 479 CD1 LEU A 32 1.028 5.110 1.007 1.00 0.00 C ATOM 480 CD2 LEU A 32 -1.076 5.216 2.334 1.00 0.00 C ATOM 0 H LEU A 32 2.490 6.106 5.400 1.00 0.00 H new ATOM 0 HA LEU A 32 3.147 5.619 2.689 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.192 4.619 3.685 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.590 6.165 4.250 1.00 0.00 H new ATOM 0 HG LEU A 32 0.212 6.891 1.890 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.457 5.220 0.085 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.021 5.539 0.873 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.120 4.052 1.253 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -1.656 5.325 1.418 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -0.972 4.158 2.575 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.589 5.725 3.150 1.00 0.00 H new ATOM 492 N GLY A 33 2.019 8.632 3.367 1.00 0.00 N ATOM 493 CA GLY A 33 1.919 9.970 2.813 1.00 0.00 C ATOM 494 C GLY A 33 3.233 10.369 2.168 1.00 0.00 C ATOM 495 O GLY A 33 3.254 10.928 1.072 1.00 0.00 O ATOM 0 H GLY A 33 1.717 8.545 4.338 1.00 0.00 H new ATOM 0 HA2 GLY A 33 1.117 10.007 2.075 1.00 0.00 H new ATOM 0 HA3 GLY A 33 1.661 10.679 3.600 1.00 0.00 H new ATOM 499 N THR A 34 4.329 10.071 2.849 1.00 0.00 N ATOM 500 CA THR A 34 5.644 10.399 2.321 1.00 0.00 C ATOM 501 C THR A 34 5.854 9.699 0.989 1.00 0.00 C ATOM 502 O THR A 34 6.294 10.312 0.015 1.00 0.00 O ATOM 503 CB THR A 34 6.730 9.976 3.311 1.00 0.00 C ATOM 504 OG1 THR A 34 6.401 10.466 4.605 1.00 0.00 O ATOM 505 CG2 THR A 34 8.084 10.543 2.876 1.00 0.00 C ATOM 0 H THR A 34 4.335 9.608 3.758 1.00 0.00 H new ATOM 0 HA THR A 34 5.706 11.477 2.171 1.00 0.00 H new ATOM 0 HB THR A 34 6.793 8.888 3.335 1.00 0.00 H new ATOM 0 HG1 THR A 34 5.815 9.825 5.058 1.00 0.00 H new ATOM 0 HG21 THR A 34 8.852 10.237 3.587 1.00 0.00 H new ATOM 0 HG22 THR A 34 8.335 10.165 1.885 1.00 0.00 H new ATOM 0 HG23 THR A 34 8.030 11.631 2.846 1.00 0.00 H new ATOM 513 N VAL A 35 5.542 8.409 0.939 1.00 0.00 N ATOM 514 CA VAL A 35 5.700 7.634 -0.290 1.00 0.00 C ATOM 515 C VAL A 35 4.841 8.221 -1.407 1.00 0.00 C ATOM 516 O VAL A 35 5.252 8.268 -2.565 1.00 0.00 O ATOM 517 CB VAL A 35 5.272 6.180 -0.036 1.00 0.00 C ATOM 518 CG1 VAL A 35 5.460 5.348 -1.306 1.00 0.00 C ATOM 519 CG2 VAL A 35 6.120 5.584 1.090 1.00 0.00 C ATOM 0 H VAL A 35 5.179 7.878 1.731 1.00 0.00 H new ATOM 0 HA VAL A 35 6.747 7.668 -0.593 1.00 0.00 H new ATOM 0 HB VAL A 35 4.220 6.166 0.250 1.00 0.00 H new ATOM 0 HG11 VAL A 35 5.154 4.319 -1.116 1.00 0.00 H new ATOM 0 HG12 VAL A 35 4.851 5.765 -2.108 1.00 0.00 H new ATOM 0 HG13 VAL A 35 6.509 5.366 -1.601 1.00 0.00 H new ATOM 0 HG21 VAL A 35 5.815 4.553 1.269 1.00 0.00 H new ATOM 0 HG22 VAL A 35 7.172 5.607 0.805 1.00 0.00 H new ATOM 0 HG23 VAL A 35 5.978 6.167 2.000 1.00 0.00 H new ATOM 529 N MET A 36 3.660 8.696 -1.040 1.00 0.00 N ATOM 530 CA MET A 36 2.771 9.302 -2.023 1.00 0.00 C ATOM 531 C MET A 36 3.360 10.607 -2.574 1.00 0.00 C ATOM 532 O MET A 36 3.252 10.887 -3.768 1.00 0.00 O ATOM 533 CB MET A 36 1.389 9.561 -1.414 1.00 0.00 C ATOM 534 CG MET A 36 0.753 8.228 -0.984 1.00 0.00 C ATOM 535 SD MET A 36 -1.047 8.324 -1.160 1.00 0.00 S ATOM 536 CE MET A 36 -1.149 7.528 -2.781 1.00 0.00 C ATOM 0 H MET A 36 3.298 8.675 -0.086 1.00 0.00 H new ATOM 0 HA MET A 36 2.664 8.601 -2.851 1.00 0.00 H new ATOM 0 HB2 MET A 36 1.478 10.226 -0.555 1.00 0.00 H new ATOM 0 HB3 MET A 36 0.749 10.063 -2.140 1.00 0.00 H new ATOM 0 HG2 MET A 36 1.145 7.414 -1.594 1.00 0.00 H new ATOM 0 HG3 MET A 36 1.015 8.006 0.050 1.00 0.00 H new ATOM 0 HE1 MET A 36 -2.056 7.854 -3.290 1.00 0.00 H new ATOM 0 HE2 MET A 36 -0.279 7.804 -3.377 1.00 0.00 H new ATOM 0 HE3 MET A 36 -1.174 6.446 -2.654 1.00 0.00 H new ATOM 546 N ARG A 37 3.969 11.402 -1.700 1.00 0.00 N ATOM 547 CA ARG A 37 4.561 12.670 -2.126 1.00 0.00 C ATOM 548 C ARG A 37 5.798 12.426 -2.995 1.00 0.00 C ATOM 549 O ARG A 37 5.921 12.975 -4.090 1.00 0.00 O ATOM 550 CB ARG A 37 4.934 13.510 -0.892 1.00 0.00 C ATOM 551 CG ARG A 37 4.858 15.009 -1.214 1.00 0.00 C ATOM 552 CD ARG A 37 5.867 15.367 -2.306 1.00 0.00 C ATOM 553 NE ARG A 37 6.110 16.805 -2.302 1.00 0.00 N ATOM 554 CZ ARG A 37 6.948 17.364 -3.166 1.00 0.00 C ATOM 555 NH1 ARG A 37 7.574 16.628 -4.045 1.00 0.00 N ATOM 556 NH2 ARG A 37 7.143 18.649 -3.133 1.00 0.00 N ATOM 0 H ARG A 37 4.066 11.197 -0.706 1.00 0.00 H new ATOM 0 HA ARG A 37 3.829 13.215 -2.722 1.00 0.00 H new ATOM 0 HB2 ARG A 37 4.260 13.275 -0.068 1.00 0.00 H new ATOM 0 HB3 ARG A 37 5.941 13.254 -0.562 1.00 0.00 H new ATOM 0 HG2 ARG A 37 3.851 15.267 -1.541 1.00 0.00 H new ATOM 0 HG3 ARG A 37 5.061 15.592 -0.316 1.00 0.00 H new ATOM 0 HD2 ARG A 37 6.801 14.831 -2.141 1.00 0.00 H new ATOM 0 HD3 ARG A 37 5.489 15.056 -3.280 1.00 0.00 H new ATOM 0 HE ARG A 37 5.627 17.392 -1.622 1.00 0.00 H new ATOM 0 HH11 ARG A 37 7.419 15.620 -4.069 1.00 0.00 H new ATOM 0 HH12 ARG A 37 8.217 17.061 -4.707 1.00 0.00 H new ATOM 0 HH21 ARG A 37 6.653 19.222 -2.446 1.00 0.00 H new ATOM 0 HH22 ARG A 37 7.786 19.084 -3.794 1.00 0.00 H new ATOM 570 N SER A 38 6.710 11.600 -2.497 1.00 0.00 N ATOM 571 CA SER A 38 7.937 11.306 -3.232 1.00 0.00 C ATOM 572 C SER A 38 7.619 10.837 -4.645 1.00 0.00 C ATOM 573 O SER A 38 8.444 10.963 -5.550 1.00 0.00 O ATOM 574 CB SER A 38 8.737 10.224 -2.506 1.00 0.00 C ATOM 575 OG SER A 38 9.660 9.637 -3.415 1.00 0.00 O ATOM 0 H SER A 38 6.627 11.126 -1.598 1.00 0.00 H new ATOM 0 HA SER A 38 8.528 12.220 -3.288 1.00 0.00 H new ATOM 0 HB2 SER A 38 9.268 10.655 -1.657 1.00 0.00 H new ATOM 0 HB3 SER A 38 8.065 9.463 -2.109 1.00 0.00 H new ATOM 0 HG SER A 38 10.177 8.943 -2.954 1.00 0.00 H new ATOM 581 N LEU A 39 6.417 10.305 -4.833 1.00 0.00 N ATOM 582 CA LEU A 39 5.999 9.827 -6.150 1.00 0.00 C ATOM 583 C LEU A 39 5.456 10.974 -7.002 1.00 0.00 C ATOM 584 O LEU A 39 5.403 10.876 -8.227 1.00 0.00 O ATOM 585 CB LEU A 39 4.932 8.746 -5.978 1.00 0.00 C ATOM 586 CG LEU A 39 5.571 7.477 -5.388 1.00 0.00 C ATOM 587 CD1 LEU A 39 4.469 6.563 -4.849 1.00 0.00 C ATOM 588 CD2 LEU A 39 6.378 6.721 -6.463 1.00 0.00 C ATOM 0 H LEU A 39 5.718 10.193 -4.098 1.00 0.00 H new ATOM 0 HA LEU A 39 6.865 9.409 -6.664 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.139 9.105 -5.321 1.00 0.00 H new ATOM 0 HB3 LEU A 39 4.471 8.520 -6.940 1.00 0.00 H new ATOM 0 HG LEU A 39 6.247 7.767 -4.584 1.00 0.00 H new ATOM 0 HD11 LEU A 39 4.916 5.662 -4.430 1.00 0.00 H new ATOM 0 HD12 LEU A 39 3.910 7.086 -4.073 1.00 0.00 H new ATOM 0 HD13 LEU A 39 3.794 6.289 -5.660 1.00 0.00 H new ATOM 0 HD21 LEU A 39 6.821 5.827 -6.024 1.00 0.00 H new ATOM 0 HD22 LEU A 39 5.716 6.434 -7.280 1.00 0.00 H new ATOM 0 HD23 LEU A 39 7.168 7.367 -6.846 1.00 0.00 H new ATOM 600 N GLY A 40 5.067 12.068 -6.348 1.00 0.00 N ATOM 601 CA GLY A 40 4.548 13.231 -7.067 1.00 0.00 C ATOM 602 C GLY A 40 3.053 13.099 -7.370 1.00 0.00 C ATOM 603 O GLY A 40 2.537 13.754 -8.276 1.00 0.00 O ATOM 0 H GLY A 40 5.100 12.173 -5.334 1.00 0.00 H new ATOM 0 HA2 GLY A 40 4.720 14.130 -6.474 1.00 0.00 H new ATOM 0 HA3 GLY A 40 5.097 13.355 -8.000 1.00 0.00 H new ATOM 607 N GLN A 41 2.351 12.254 -6.606 1.00 0.00 N ATOM 608 CA GLN A 41 0.908 12.057 -6.804 1.00 0.00 C ATOM 609 C GLN A 41 0.116 12.681 -5.655 1.00 0.00 C ATOM 610 O GLN A 41 0.565 12.692 -4.510 1.00 0.00 O ATOM 611 CB GLN A 41 0.592 10.562 -6.906 1.00 0.00 C ATOM 612 CG GLN A 41 -0.915 10.364 -7.092 1.00 0.00 C ATOM 613 CD GLN A 41 -1.216 8.905 -7.405 1.00 0.00 C ATOM 614 OE1 GLN A 41 -0.319 8.149 -7.774 1.00 0.00 O ATOM 615 NE2 GLN A 41 -2.432 8.459 -7.279 1.00 0.00 N ATOM 0 H GLN A 41 2.753 11.699 -5.851 1.00 0.00 H new ATOM 0 HA GLN A 41 0.617 12.548 -7.732 1.00 0.00 H new ATOM 0 HB2 GLN A 41 1.132 10.123 -7.745 1.00 0.00 H new ATOM 0 HB3 GLN A 41 0.928 10.047 -6.006 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -1.444 10.667 -6.188 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -1.276 11.000 -7.901 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -3.176 9.086 -6.973 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -2.641 7.482 -7.486 1.00 0.00 H new ATOM 624 N ASN A 42 -1.065 13.210 -5.980 1.00 0.00 N ATOM 625 CA ASN A 42 -1.928 13.854 -4.987 1.00 0.00 C ATOM 626 C ASN A 42 -1.845 13.133 -3.628 1.00 0.00 C ATOM 627 O ASN A 42 -2.475 12.092 -3.441 1.00 0.00 O ATOM 628 CB ASN A 42 -3.380 13.841 -5.488 1.00 0.00 C ATOM 629 CG ASN A 42 -3.697 12.495 -6.132 1.00 0.00 C ATOM 630 OD1 ASN A 42 -3.838 12.403 -7.349 1.00 0.00 O ATOM 631 ND2 ASN A 42 -3.823 11.437 -5.381 1.00 0.00 N ATOM 0 H ASN A 42 -1.447 13.205 -6.926 1.00 0.00 H new ATOM 0 HA ASN A 42 -1.589 14.881 -4.850 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -4.062 14.026 -4.658 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -3.532 14.644 -6.210 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -4.038 10.534 -5.804 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -3.706 11.512 -4.370 1.00 0.00 H new ATOM 638 N PRO A 43 -1.086 13.655 -2.682 1.00 0.00 N ATOM 639 CA PRO A 43 -0.937 13.021 -1.340 1.00 0.00 C ATOM 640 C PRO A 43 -2.113 13.342 -0.417 1.00 0.00 C ATOM 641 O PRO A 43 -3.146 12.675 -0.459 1.00 0.00 O ATOM 642 CB PRO A 43 0.381 13.608 -0.813 1.00 0.00 C ATOM 643 CG PRO A 43 0.512 14.953 -1.470 1.00 0.00 C ATOM 644 CD PRO A 43 -0.290 14.898 -2.785 1.00 0.00 C ATOM 0 HA PRO A 43 -0.925 11.932 -1.390 1.00 0.00 H new ATOM 0 HB2 PRO A 43 0.363 13.702 0.273 1.00 0.00 H new ATOM 0 HB3 PRO A 43 1.225 12.965 -1.063 1.00 0.00 H new ATOM 0 HG2 PRO A 43 0.129 15.738 -0.818 1.00 0.00 H new ATOM 0 HG3 PRO A 43 1.559 15.185 -1.667 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -0.932 15.772 -2.895 1.00 0.00 H new ATOM 0 HD3 PRO A 43 0.370 14.876 -3.652 1.00 0.00 H new ATOM 652 N THR A 44 -1.943 14.360 0.418 1.00 0.00 N ATOM 653 CA THR A 44 -2.993 14.759 1.352 1.00 0.00 C ATOM 654 C THR A 44 -3.195 13.688 2.419 1.00 0.00 C ATOM 655 O THR A 44 -3.666 12.591 2.134 1.00 0.00 O ATOM 656 CB THR A 44 -4.305 15.011 0.598 1.00 0.00 C ATOM 657 OG1 THR A 44 -4.016 15.637 -0.646 1.00 0.00 O ATOM 658 CG2 THR A 44 -5.214 15.921 1.429 1.00 0.00 C ATOM 0 H THR A 44 -1.094 14.923 0.469 1.00 0.00 H new ATOM 0 HA THR A 44 -2.687 15.683 1.843 1.00 0.00 H new ATOM 0 HB THR A 44 -4.812 14.062 0.424 1.00 0.00 H new ATOM 0 HG1 THR A 44 -4.851 15.799 -1.133 1.00 0.00 H new ATOM 0 HG21 THR A 44 -6.144 16.097 0.889 1.00 0.00 H new ATOM 0 HG22 THR A 44 -5.433 15.443 2.384 1.00 0.00 H new ATOM 0 HG23 THR A 44 -4.712 16.872 1.607 1.00 0.00 H new ATOM 666 N GLU A 45 -2.833 14.027 3.652 1.00 0.00 N ATOM 667 CA GLU A 45 -2.975 13.094 4.768 1.00 0.00 C ATOM 668 C GLU A 45 -4.453 12.858 5.078 1.00 0.00 C ATOM 669 O GLU A 45 -4.903 11.724 5.142 1.00 0.00 O ATOM 670 CB GLU A 45 -2.250 13.638 6.013 1.00 0.00 C ATOM 671 CG GLU A 45 -2.238 15.167 5.971 1.00 0.00 C ATOM 672 CD GLU A 45 -1.769 15.725 7.309 1.00 0.00 C ATOM 673 OE1 GLU A 45 -0.795 15.212 7.831 1.00 0.00 O ATOM 674 OE2 GLU A 45 -2.392 16.656 7.790 1.00 0.00 O ATOM 0 H GLU A 45 -2.441 14.934 3.905 1.00 0.00 H new ATOM 0 HA GLU A 45 -2.522 12.143 4.487 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -2.750 13.293 6.918 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -1.229 13.257 6.048 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -1.579 15.511 5.174 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -3.236 15.540 5.743 1.00 0.00 H new ATOM 681 N ALA A 46 -5.192 13.944 5.285 1.00 0.00 N ATOM 682 CA ALA A 46 -6.615 13.840 5.616 1.00 0.00 C ATOM 683 C ALA A 46 -7.252 12.715 4.804 1.00 0.00 C ATOM 684 O ALA A 46 -7.972 11.868 5.342 1.00 0.00 O ATOM 685 CB ALA A 46 -7.306 15.167 5.299 1.00 0.00 C ATOM 0 H ALA A 46 -4.836 14.898 5.231 1.00 0.00 H new ATOM 0 HA ALA A 46 -6.728 13.618 6.677 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -8.366 15.093 5.544 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -6.852 15.964 5.888 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -7.194 15.391 4.238 1.00 0.00 H new ATOM 691 N GLU A 47 -6.951 12.696 3.516 1.00 0.00 N ATOM 692 CA GLU A 47 -7.465 11.657 2.637 1.00 0.00 C ATOM 693 C GLU A 47 -7.011 10.279 3.139 1.00 0.00 C ATOM 694 O GLU A 47 -7.829 9.393 3.391 1.00 0.00 O ATOM 695 CB GLU A 47 -6.935 11.908 1.212 1.00 0.00 C ATOM 696 CG GLU A 47 -7.954 11.445 0.165 1.00 0.00 C ATOM 697 CD GLU A 47 -8.192 9.945 0.294 1.00 0.00 C ATOM 698 OE1 GLU A 47 -7.236 9.231 0.549 1.00 0.00 O ATOM 699 OE2 GLU A 47 -9.328 9.533 0.137 1.00 0.00 O ATOM 0 H GLU A 47 -6.356 13.385 3.057 1.00 0.00 H new ATOM 0 HA GLU A 47 -8.555 11.679 2.630 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -6.726 12.969 1.078 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -5.994 11.377 1.070 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -8.893 11.983 0.297 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -7.591 11.679 -0.836 1.00 0.00 H new ATOM 706 N LEU A 48 -5.696 10.118 3.286 1.00 0.00 N ATOM 707 CA LEU A 48 -5.137 8.849 3.758 1.00 0.00 C ATOM 708 C LEU A 48 -5.688 8.530 5.152 1.00 0.00 C ATOM 709 O LEU A 48 -6.222 7.446 5.391 1.00 0.00 O ATOM 710 CB LEU A 48 -3.601 8.951 3.802 1.00 0.00 C ATOM 711 CG LEU A 48 -2.990 8.592 2.436 1.00 0.00 C ATOM 712 CD1 LEU A 48 -3.711 9.347 1.313 1.00 0.00 C ATOM 713 CD2 LEU A 48 -1.508 8.986 2.445 1.00 0.00 C ATOM 0 H LEU A 48 -5.004 10.841 3.088 1.00 0.00 H new ATOM 0 HA LEU A 48 -5.421 8.047 3.076 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -3.307 9.963 4.082 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -3.209 8.282 4.568 1.00 0.00 H new ATOM 0 HG LEU A 48 -3.098 7.522 2.260 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.267 9.082 0.353 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -4.767 9.076 1.312 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.612 10.420 1.475 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -1.060 8.738 1.483 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -1.418 10.058 2.622 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.992 8.443 3.237 1.00 0.00 H new ATOM 725 N GLN A 49 -5.559 9.485 6.060 1.00 0.00 N ATOM 726 CA GLN A 49 -6.049 9.317 7.421 1.00 0.00 C ATOM 727 C GLN A 49 -7.463 8.753 7.404 1.00 0.00 C ATOM 728 O GLN A 49 -7.869 8.027 8.313 1.00 0.00 O ATOM 729 CB GLN A 49 -6.050 10.672 8.135 1.00 0.00 C ATOM 730 CG GLN A 49 -4.607 11.148 8.347 1.00 0.00 C ATOM 731 CD GLN A 49 -4.599 12.542 8.970 1.00 0.00 C ATOM 732 OE1 GLN A 49 -5.035 13.506 8.343 1.00 0.00 O ATOM 733 NE2 GLN A 49 -4.125 12.706 10.173 1.00 0.00 N ATOM 0 H GLN A 49 -5.118 10.387 5.879 1.00 0.00 H new ATOM 0 HA GLN A 49 -5.395 8.623 7.950 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -6.601 11.404 7.545 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -6.560 10.587 9.095 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -4.077 10.449 8.994 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -4.078 11.164 7.394 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -3.764 11.906 10.692 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -4.115 13.634 10.595 1.00 0.00 H new ATOM 742 N ASP A 50 -8.202 9.080 6.352 1.00 0.00 N ATOM 743 CA ASP A 50 -9.568 8.597 6.209 1.00 0.00 C ATOM 744 C ASP A 50 -9.594 7.165 5.664 1.00 0.00 C ATOM 745 O ASP A 50 -10.362 6.330 6.140 1.00 0.00 O ATOM 746 CB ASP A 50 -10.344 9.526 5.273 1.00 0.00 C ATOM 747 CG ASP A 50 -11.839 9.244 5.378 1.00 0.00 C ATOM 748 OD1 ASP A 50 -12.343 9.233 6.488 1.00 0.00 O ATOM 749 OD2 ASP A 50 -12.456 9.047 4.345 1.00 0.00 O ATOM 0 H ASP A 50 -7.880 9.675 5.589 1.00 0.00 H new ATOM 0 HA ASP A 50 -10.037 8.592 7.193 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -10.143 10.566 5.531 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -10.010 9.382 4.246 1.00 0.00 H new ATOM 754 N MET A 51 -8.754 6.888 4.667 1.00 0.00 N ATOM 755 CA MET A 51 -8.698 5.550 4.075 1.00 0.00 C ATOM 756 C MET A 51 -8.157 4.533 5.073 1.00 0.00 C ATOM 757 O MET A 51 -8.704 3.439 5.217 1.00 0.00 O ATOM 758 CB MET A 51 -7.808 5.567 2.832 1.00 0.00 C ATOM 759 CG MET A 51 -8.484 6.379 1.727 1.00 0.00 C ATOM 760 SD MET A 51 -9.962 5.503 1.146 1.00 0.00 S ATOM 761 CE MET A 51 -11.105 6.909 1.143 1.00 0.00 C ATOM 0 H MET A 51 -8.109 7.563 4.255 1.00 0.00 H new ATOM 0 HA MET A 51 -9.711 5.260 3.798 1.00 0.00 H new ATOM 0 HB2 MET A 51 -6.837 6.000 3.073 1.00 0.00 H new ATOM 0 HB3 MET A 51 -7.626 4.549 2.489 1.00 0.00 H new ATOM 0 HG2 MET A 51 -8.757 7.365 2.102 1.00 0.00 H new ATOM 0 HG3 MET A 51 -7.791 6.533 0.900 1.00 0.00 H new ATOM 0 HE1 MET A 51 -12.130 6.545 1.073 1.00 0.00 H new ATOM 0 HE2 MET A 51 -10.984 7.478 2.065 1.00 0.00 H new ATOM 0 HE3 MET A 51 -10.889 7.551 0.289 1.00 0.00 H new ATOM 771 N ILE A 52 -7.088 4.904 5.768 1.00 0.00 N ATOM 772 CA ILE A 52 -6.494 4.012 6.757 1.00 0.00 C ATOM 773 C ILE A 52 -7.475 3.791 7.904 1.00 0.00 C ATOM 774 O ILE A 52 -7.655 2.667 8.366 1.00 0.00 O ATOM 775 CB ILE A 52 -5.162 4.590 7.280 1.00 0.00 C ATOM 776 CG1 ILE A 52 -4.061 4.316 6.239 1.00 0.00 C ATOM 777 CG2 ILE A 52 -4.789 3.936 8.620 1.00 0.00 C ATOM 778 CD1 ILE A 52 -2.770 5.036 6.623 1.00 0.00 C ATOM 0 H ILE A 52 -6.620 5.804 5.668 1.00 0.00 H new ATOM 0 HA ILE A 52 -6.280 3.052 6.286 1.00 0.00 H new ATOM 0 HB ILE A 52 -5.266 5.664 7.437 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -3.879 3.244 6.168 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -4.391 4.649 5.255 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -3.848 4.352 8.978 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -5.574 4.131 9.351 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -4.681 2.860 8.482 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -2.003 4.831 5.876 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -2.952 6.110 6.671 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -2.432 4.682 7.597 1.00 0.00 H new ATOM 790 N ASN A 53 -8.100 4.872 8.353 1.00 0.00 N ATOM 791 CA ASN A 53 -9.053 4.795 9.456 1.00 0.00 C ATOM 792 C ASN A 53 -10.220 3.870 9.105 1.00 0.00 C ATOM 793 O ASN A 53 -10.695 3.112 9.950 1.00 0.00 O ATOM 794 CB ASN A 53 -9.583 6.199 9.775 1.00 0.00 C ATOM 795 CG ASN A 53 -8.568 6.974 10.613 1.00 0.00 C ATOM 796 OD1 ASN A 53 -7.314 6.618 10.601 1.00 0.00 O flip ATOM 797 ND2 ASN A 53 -8.928 7.933 11.294 1.00 0.00 N flip ATOM 0 H ASN A 53 -7.966 5.809 7.973 1.00 0.00 H new ATOM 0 HA ASN A 53 -8.542 4.387 10.328 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -9.786 6.737 8.849 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -10.528 6.124 10.314 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -9.909 8.212 11.304 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -8.245 8.449 11.849 1.00 0.00 H new ATOM 804 N GLU A 54 -10.684 3.945 7.863 1.00 0.00 N ATOM 805 CA GLU A 54 -11.806 3.116 7.429 1.00 0.00 C ATOM 806 C GLU A 54 -11.441 1.629 7.430 1.00 0.00 C ATOM 807 O GLU A 54 -12.257 0.786 7.808 1.00 0.00 O ATOM 808 CB GLU A 54 -12.250 3.531 6.023 1.00 0.00 C ATOM 809 CG GLU A 54 -13.495 2.732 5.620 1.00 0.00 C ATOM 810 CD GLU A 54 -14.006 3.210 4.266 1.00 0.00 C ATOM 811 OE1 GLU A 54 -13.285 3.940 3.606 1.00 0.00 O ATOM 812 OE2 GLU A 54 -15.112 2.840 3.910 1.00 0.00 O ATOM 0 H GLU A 54 -10.307 4.563 7.145 1.00 0.00 H new ATOM 0 HA GLU A 54 -12.622 3.267 8.135 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -12.468 4.599 6.000 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -11.445 3.354 5.309 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -13.256 1.670 5.573 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -14.273 2.851 6.374 1.00 0.00 H new ATOM 819 N VAL A 55 -10.222 1.305 6.989 1.00 0.00 N ATOM 820 CA VAL A 55 -9.779 -0.096 6.928 1.00 0.00 C ATOM 821 C VAL A 55 -8.919 -0.474 8.137 1.00 0.00 C ATOM 822 O VAL A 55 -8.137 -1.425 8.072 1.00 0.00 O ATOM 823 CB VAL A 55 -8.979 -0.333 5.641 1.00 0.00 C ATOM 824 CG1 VAL A 55 -9.777 0.180 4.442 1.00 0.00 C ATOM 825 CG2 VAL A 55 -7.650 0.420 5.721 1.00 0.00 C ATOM 0 H VAL A 55 -9.529 1.983 6.672 1.00 0.00 H new ATOM 0 HA VAL A 55 -10.670 -0.724 6.937 1.00 0.00 H new ATOM 0 HB VAL A 55 -8.789 -1.400 5.525 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -9.208 0.012 3.527 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -10.726 -0.352 4.382 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -9.966 1.247 4.560 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -7.081 0.252 4.807 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -7.843 1.486 5.838 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -7.078 0.059 6.576 1.00 0.00 H new ATOM 835 N ASP A 56 -9.057 0.263 9.238 1.00 0.00 N ATOM 836 CA ASP A 56 -8.272 -0.030 10.443 1.00 0.00 C ATOM 837 C ASP A 56 -9.003 -1.060 11.309 1.00 0.00 C ATOM 838 O ASP A 56 -10.070 -0.782 11.857 1.00 0.00 O ATOM 839 CB ASP A 56 -8.039 1.258 11.247 1.00 0.00 C ATOM 840 CG ASP A 56 -6.797 1.118 12.123 1.00 0.00 C ATOM 841 OD1 ASP A 56 -6.865 0.406 13.104 1.00 0.00 O ATOM 842 OD2 ASP A 56 -5.790 1.718 11.785 1.00 0.00 O ATOM 0 H ASP A 56 -9.693 1.056 9.324 1.00 0.00 H new ATOM 0 HA ASP A 56 -7.308 -0.440 10.143 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -7.920 2.102 10.568 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -8.909 1.469 11.869 1.00 0.00 H new ATOM 847 N ALA A 57 -8.430 -2.257 11.404 1.00 0.00 N ATOM 848 CA ALA A 57 -9.038 -3.340 12.177 1.00 0.00 C ATOM 849 C ALA A 57 -9.097 -3.033 13.676 1.00 0.00 C ATOM 850 O ALA A 57 -10.149 -3.175 14.301 1.00 0.00 O ATOM 851 CB ALA A 57 -8.245 -4.630 11.959 1.00 0.00 C ATOM 0 H ALA A 57 -7.547 -2.503 10.957 1.00 0.00 H new ATOM 0 HA ALA A 57 -10.063 -3.452 11.824 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -8.698 -5.437 12.535 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -8.256 -4.889 10.900 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -7.216 -4.484 12.286 1.00 0.00 H new ATOM 857 N ASP A 58 -7.967 -2.631 14.258 1.00 0.00 N ATOM 858 CA ASP A 58 -7.914 -2.338 15.694 1.00 0.00 C ATOM 859 C ASP A 58 -8.180 -0.858 15.979 1.00 0.00 C ATOM 860 O ASP A 58 -8.258 -0.446 17.136 1.00 0.00 O ATOM 861 CB ASP A 58 -6.532 -2.705 16.242 1.00 0.00 C ATOM 862 CG ASP A 58 -6.336 -4.215 16.206 1.00 0.00 C ATOM 863 OD1 ASP A 58 -7.324 -4.919 16.086 1.00 0.00 O ATOM 864 OD2 ASP A 58 -5.199 -4.646 16.302 1.00 0.00 O ATOM 0 H ASP A 58 -7.084 -2.501 13.765 1.00 0.00 H new ATOM 0 HA ASP A 58 -8.690 -2.929 16.181 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -5.757 -2.216 15.652 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -6.430 -2.342 17.265 1.00 0.00 H new ATOM 869 N GLY A 59 -8.295 -0.062 14.924 1.00 0.00 N ATOM 870 CA GLY A 59 -8.529 1.371 15.090 1.00 0.00 C ATOM 871 C GLY A 59 -7.252 2.054 15.568 1.00 0.00 C ATOM 872 O GLY A 59 -7.288 3.152 16.123 1.00 0.00 O ATOM 0 H GLY A 59 -8.232 -0.376 13.956 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -8.853 1.807 14.145 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -9.331 1.536 15.809 1.00 0.00 H new ATOM 876 N ASN A 60 -6.126 1.379 15.357 1.00 0.00 N ATOM 877 CA ASN A 60 -4.827 1.899 15.773 1.00 0.00 C ATOM 878 C ASN A 60 -4.359 2.992 14.823 1.00 0.00 C ATOM 879 O ASN A 60 -3.516 3.818 15.173 1.00 0.00 O ATOM 880 CB ASN A 60 -3.803 0.756 15.785 1.00 0.00 C ATOM 881 CG ASN A 60 -4.011 -0.123 17.012 1.00 0.00 C ATOM 882 OD1 ASN A 60 -4.718 0.261 17.940 1.00 0.00 O ATOM 883 ND2 ASN A 60 -3.429 -1.287 17.077 1.00 0.00 N ATOM 0 H ASN A 60 -6.087 0.468 14.899 1.00 0.00 H new ATOM 0 HA ASN A 60 -4.921 2.324 16.773 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -3.903 0.158 14.879 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -2.792 1.164 15.788 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -3.561 -1.878 17.898 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -2.842 -1.607 16.307 1.00 0.00 H new ATOM 890 N GLY A 61 -4.911 2.983 13.618 1.00 0.00 N ATOM 891 CA GLY A 61 -4.548 3.970 12.609 1.00 0.00 C ATOM 892 C GLY A 61 -3.345 3.501 11.791 1.00 0.00 C ATOM 893 O GLY A 61 -2.667 4.303 11.150 1.00 0.00 O ATOM 0 H GLY A 61 -5.610 2.305 13.315 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -5.396 4.147 11.947 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -4.316 4.920 13.091 1.00 0.00 H new ATOM 897 N THR A 62 -3.091 2.191 11.813 1.00 0.00 N ATOM 898 CA THR A 62 -1.969 1.618 11.064 1.00 0.00 C ATOM 899 C THR A 62 -2.416 0.389 10.280 1.00 0.00 C ATOM 900 O THR A 62 -3.369 -0.291 10.665 1.00 0.00 O ATOM 901 CB THR A 62 -0.855 1.222 12.031 1.00 0.00 C ATOM 902 OG1 THR A 62 -1.334 0.213 12.911 1.00 0.00 O ATOM 903 CG2 THR A 62 -0.425 2.447 12.837 1.00 0.00 C ATOM 0 H THR A 62 -3.642 1.511 12.337 1.00 0.00 H new ATOM 0 HA THR A 62 -1.603 2.368 10.363 1.00 0.00 H new ATOM 0 HB THR A 62 -0.001 0.840 11.472 1.00 0.00 H new ATOM 0 HG1 THR A 62 -0.621 -0.045 13.532 1.00 0.00 H new ATOM 0 HG21 THR A 62 0.370 2.167 13.528 1.00 0.00 H new ATOM 0 HG22 THR A 62 -0.061 3.219 12.159 1.00 0.00 H new ATOM 0 HG23 THR A 62 -1.277 2.830 13.400 1.00 0.00 H new ATOM 911 N ILE A 63 -1.714 0.100 9.180 1.00 0.00 N ATOM 912 CA ILE A 63 -2.038 -1.062 8.346 1.00 0.00 C ATOM 913 C ILE A 63 -0.973 -2.138 8.520 1.00 0.00 C ATOM 914 O ILE A 63 0.203 -1.916 8.221 1.00 0.00 O ATOM 915 CB ILE A 63 -2.113 -0.657 6.871 1.00 0.00 C ATOM 916 CG1 ILE A 63 -2.921 0.639 6.738 1.00 0.00 C ATOM 917 CG2 ILE A 63 -2.777 -1.769 6.056 1.00 0.00 C ATOM 918 CD1 ILE A 63 -4.289 0.483 7.416 1.00 0.00 C ATOM 0 H ILE A 63 -0.922 0.651 8.848 1.00 0.00 H new ATOM 0 HA ILE A 63 -3.007 -1.452 8.658 1.00 0.00 H new ATOM 0 HB ILE A 63 -1.104 -0.496 6.491 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -2.374 1.465 7.192 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -3.055 0.886 5.685 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -2.826 -1.472 5.008 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -2.193 -2.685 6.147 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -3.785 -1.943 6.432 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -4.853 1.410 7.315 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -4.839 -0.330 6.942 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -4.148 0.258 8.473 1.00 0.00 H new ATOM 930 N ASP A 64 -1.386 -3.299 9.027 1.00 0.00 N ATOM 931 CA ASP A 64 -0.460 -4.401 9.258 1.00 0.00 C ATOM 932 C ASP A 64 -0.284 -5.253 7.994 1.00 0.00 C ATOM 933 O ASP A 64 -0.817 -4.931 6.932 1.00 0.00 O ATOM 934 CB ASP A 64 -0.969 -5.258 10.420 1.00 0.00 C ATOM 935 CG ASP A 64 -0.787 -4.515 11.737 1.00 0.00 C ATOM 936 OD1 ASP A 64 0.330 -4.477 12.224 1.00 0.00 O ATOM 937 OD2 ASP A 64 -1.770 -4.005 12.244 1.00 0.00 O ATOM 0 H ASP A 64 -2.353 -3.498 9.284 1.00 0.00 H new ATOM 0 HA ASP A 64 0.517 -3.990 9.514 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -2.022 -5.498 10.271 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -0.428 -6.204 10.449 1.00 0.00 H new ATOM 942 N PHE A 65 0.500 -6.318 8.123 1.00 0.00 N ATOM 943 CA PHE A 65 0.804 -7.211 6.996 1.00 0.00 C ATOM 944 C PHE A 65 -0.454 -7.850 6.376 1.00 0.00 C ATOM 945 O PHE A 65 -0.558 -7.963 5.153 1.00 0.00 O ATOM 946 CB PHE A 65 1.780 -8.324 7.462 1.00 0.00 C ATOM 947 CG PHE A 65 2.550 -7.867 8.681 1.00 0.00 C ATOM 948 CD1 PHE A 65 3.501 -6.853 8.550 1.00 0.00 C ATOM 949 CD2 PHE A 65 2.319 -8.454 9.934 1.00 0.00 C ATOM 950 CE1 PHE A 65 4.226 -6.422 9.666 1.00 0.00 C ATOM 951 CE2 PHE A 65 3.044 -8.022 11.052 1.00 0.00 C ATOM 952 CZ PHE A 65 3.998 -7.005 10.919 1.00 0.00 C ATOM 0 H PHE A 65 0.942 -6.590 9.001 1.00 0.00 H new ATOM 0 HA PHE A 65 1.264 -6.599 6.220 1.00 0.00 H new ATOM 0 HB2 PHE A 65 1.223 -9.232 7.694 1.00 0.00 H new ATOM 0 HB3 PHE A 65 2.472 -8.571 6.657 1.00 0.00 H new ATOM 0 HD1 PHE A 65 3.677 -6.401 7.585 1.00 0.00 H new ATOM 0 HD2 PHE A 65 1.583 -9.238 10.037 1.00 0.00 H new ATOM 0 HE1 PHE A 65 4.962 -5.639 9.561 1.00 0.00 H new ATOM 0 HE2 PHE A 65 2.867 -8.473 12.017 1.00 0.00 H new ATOM 0 HZ PHE A 65 4.557 -6.671 11.781 1.00 0.00 H new ATOM 962 N PRO A 66 -1.371 -8.306 7.188 1.00 0.00 N ATOM 963 CA PRO A 66 -2.610 -9.007 6.713 1.00 0.00 C ATOM 964 C PRO A 66 -3.569 -8.084 5.957 1.00 0.00 C ATOM 965 O PRO A 66 -3.969 -8.369 4.829 1.00 0.00 O ATOM 966 CB PRO A 66 -3.273 -9.521 8.011 1.00 0.00 C ATOM 967 CG PRO A 66 -2.271 -9.303 9.105 1.00 0.00 C ATOM 968 CD PRO A 66 -1.349 -8.187 8.643 1.00 0.00 C ATOM 0 HA PRO A 66 -2.364 -9.797 6.003 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -4.198 -8.981 8.216 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -3.532 -10.576 7.925 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -2.769 -9.032 10.036 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -1.706 -10.215 9.299 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -1.705 -7.211 8.971 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -0.341 -8.309 9.040 1.00 0.00 H new ATOM 976 N GLU A 67 -3.940 -6.989 6.609 1.00 0.00 N ATOM 977 CA GLU A 67 -4.869 -6.034 6.020 1.00 0.00 C ATOM 978 C GLU A 67 -4.385 -5.626 4.643 1.00 0.00 C ATOM 979 O GLU A 67 -5.161 -5.583 3.685 1.00 0.00 O ATOM 980 CB GLU A 67 -4.978 -4.793 6.912 1.00 0.00 C ATOM 981 CG GLU A 67 -5.575 -5.184 8.264 1.00 0.00 C ATOM 982 CD GLU A 67 -7.024 -5.624 8.091 1.00 0.00 C ATOM 983 OE1 GLU A 67 -7.611 -5.280 7.079 1.00 0.00 O ATOM 984 OE2 GLU A 67 -7.527 -6.295 8.977 1.00 0.00 O ATOM 0 H GLU A 67 -3.613 -6.741 7.543 1.00 0.00 H new ATOM 0 HA GLU A 67 -5.849 -6.503 5.934 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -3.994 -4.347 7.053 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -5.603 -4.041 6.431 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -4.992 -5.992 8.707 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -5.523 -4.339 8.951 1.00 0.00 H new ATOM 991 N PHE A 68 -3.098 -5.339 4.550 1.00 0.00 N ATOM 992 CA PHE A 68 -2.516 -4.947 3.273 1.00 0.00 C ATOM 993 C PHE A 68 -2.625 -6.087 2.273 1.00 0.00 C ATOM 994 O PHE A 68 -3.074 -5.900 1.150 1.00 0.00 O ATOM 995 CB PHE A 68 -1.053 -4.560 3.443 1.00 0.00 C ATOM 996 CG PHE A 68 -0.521 -4.054 2.120 1.00 0.00 C ATOM 997 CD1 PHE A 68 -0.117 -4.962 1.133 1.00 0.00 C ATOM 998 CD2 PHE A 68 -0.430 -2.677 1.881 1.00 0.00 C ATOM 999 CE1 PHE A 68 0.378 -4.494 -0.091 1.00 0.00 C ATOM 1000 CE2 PHE A 68 0.067 -2.209 0.659 1.00 0.00 C ATOM 1001 CZ PHE A 68 0.471 -3.118 -0.328 1.00 0.00 C ATOM 0 H PHE A 68 -2.442 -5.368 5.330 1.00 0.00 H new ATOM 0 HA PHE A 68 -3.068 -4.084 2.900 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -0.954 -3.790 4.208 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -0.473 -5.420 3.778 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -0.187 -6.024 1.316 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -0.744 -1.976 2.640 1.00 0.00 H new ATOM 0 HE1 PHE A 68 0.688 -5.195 -0.852 1.00 0.00 H new ATOM 0 HE2 PHE A 68 0.139 -1.147 0.477 1.00 0.00 H new ATOM 0 HZ PHE A 68 0.854 -2.757 -1.271 1.00 0.00 H new ATOM 1011 N LEU A 69 -2.235 -7.274 2.701 1.00 0.00 N ATOM 1012 CA LEU A 69 -2.304 -8.443 1.828 1.00 0.00 C ATOM 1013 C LEU A 69 -3.719 -8.611 1.291 1.00 0.00 C ATOM 1014 O LEU A 69 -3.916 -9.022 0.154 1.00 0.00 O ATOM 1015 CB LEU A 69 -1.855 -9.680 2.620 1.00 0.00 C ATOM 1016 CG LEU A 69 -2.101 -10.997 1.856 1.00 0.00 C ATOM 1017 CD1 LEU A 69 -3.594 -11.393 1.839 1.00 0.00 C ATOM 1018 CD2 LEU A 69 -1.529 -10.862 0.440 1.00 0.00 C ATOM 0 H LEU A 69 -1.871 -7.458 3.636 1.00 0.00 H new ATOM 0 HA LEU A 69 -1.641 -8.313 0.973 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.794 -9.592 2.852 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.388 -9.711 3.570 1.00 0.00 H new ATOM 0 HG LEU A 69 -1.588 -11.807 2.375 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -3.717 -12.326 1.290 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -3.947 -11.525 2.862 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -4.173 -10.608 1.353 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -1.697 -11.788 -0.110 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -2.024 -10.039 -0.075 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -0.459 -10.663 0.497 1.00 0.00 H new ATOM 1030 N THR A 70 -4.716 -8.305 2.101 1.00 0.00 N ATOM 1031 CA THR A 70 -6.096 -8.456 1.652 1.00 0.00 C ATOM 1032 C THR A 70 -6.559 -7.308 0.748 1.00 0.00 C ATOM 1033 O THR A 70 -6.780 -7.496 -0.449 1.00 0.00 O ATOM 1034 CB THR A 70 -6.997 -8.546 2.873 1.00 0.00 C ATOM 1035 OG1 THR A 70 -6.610 -9.677 3.641 1.00 0.00 O ATOM 1036 CG2 THR A 70 -8.449 -8.698 2.434 1.00 0.00 C ATOM 0 H THR A 70 -4.606 -7.957 3.054 1.00 0.00 H new ATOM 0 HA THR A 70 -6.155 -9.366 1.054 1.00 0.00 H new ATOM 0 HB THR A 70 -6.902 -7.639 3.470 1.00 0.00 H new ATOM 0 HG1 THR A 70 -5.782 -9.476 4.126 1.00 0.00 H new ATOM 0 HG21 THR A 70 -9.090 -8.762 3.313 1.00 0.00 H new ATOM 0 HG22 THR A 70 -8.740 -7.835 1.835 1.00 0.00 H new ATOM 0 HG23 THR A 70 -8.556 -9.605 1.840 1.00 0.00 H new ATOM 1205 N ALA B 48 -10.007 5.264 -3.569 1.00 0.00 N ATOM 1206 CA ALA B 48 -9.314 4.493 -2.541 1.00 0.00 C ATOM 1207 C ALA B 48 -8.472 3.360 -3.136 1.00 0.00 C ATOM 1208 O ALA B 48 -7.272 3.257 -2.866 1.00 0.00 O ATOM 1209 CB ALA B 48 -10.352 3.904 -1.585 1.00 0.00 C ATOM 0 HA ALA B 48 -8.635 5.164 -2.015 1.00 0.00 H new ATOM 0 HB1 ALA B 48 -9.847 3.325 -0.812 1.00 0.00 H new ATOM 0 HB2 ALA B 48 -10.920 4.711 -1.122 1.00 0.00 H new ATOM 0 HB3 ALA B 48 -11.030 3.255 -2.139 1.00 0.00 H new ATOM 1215 N ALA B 49 -9.103 2.507 -3.936 1.00 0.00 N ATOM 1216 CA ALA B 49 -8.396 1.385 -4.545 1.00 0.00 C ATOM 1217 C ALA B 49 -7.318 1.878 -5.499 1.00 0.00 C ATOM 1218 O ALA B 49 -6.224 1.318 -5.561 1.00 0.00 O ATOM 1219 CB ALA B 49 -9.380 0.498 -5.311 1.00 0.00 C ATOM 0 H ALA B 49 -10.092 2.569 -4.176 1.00 0.00 H new ATOM 0 HA ALA B 49 -7.926 0.809 -3.748 1.00 0.00 H new ATOM 0 HB1 ALA B 49 -8.843 -0.336 -5.762 1.00 0.00 H new ATOM 0 HB2 ALA B 49 -10.135 0.115 -4.624 1.00 0.00 H new ATOM 0 HB3 ALA B 49 -9.864 1.083 -6.093 1.00 0.00 H new ATOM 1225 N LEU B 50 -7.636 2.929 -6.241 1.00 0.00 N ATOM 1226 CA LEU B 50 -6.688 3.492 -7.196 1.00 0.00 C ATOM 1227 C LEU B 50 -5.470 4.035 -6.452 1.00 0.00 C ATOM 1228 O LEU B 50 -4.336 3.871 -6.891 1.00 0.00 O ATOM 1229 CB LEU B 50 -7.365 4.616 -7.993 1.00 0.00 C ATOM 1230 CG LEU B 50 -6.757 4.734 -9.405 1.00 0.00 C ATOM 1231 CD1 LEU B 50 -5.234 4.880 -9.319 1.00 0.00 C ATOM 1232 CD2 LEU B 50 -7.120 3.492 -10.252 1.00 0.00 C ATOM 0 H LEU B 50 -8.536 3.407 -6.202 1.00 0.00 H new ATOM 0 HA LEU B 50 -6.363 2.714 -7.887 1.00 0.00 H new ATOM 0 HB2 LEU B 50 -8.435 4.420 -8.069 1.00 0.00 H new ATOM 0 HB3 LEU B 50 -7.251 5.562 -7.464 1.00 0.00 H new ATOM 0 HG LEU B 50 -7.170 5.621 -9.885 1.00 0.00 H new ATOM 0 HD11 LEU B 50 -4.819 4.962 -10.324 1.00 0.00 H new ATOM 0 HD12 LEU B 50 -4.986 5.776 -8.750 1.00 0.00 H new ATOM 0 HD13 LEU B 50 -4.812 4.006 -8.823 1.00 0.00 H new ATOM 0 HD21 LEU B 50 -6.684 3.590 -11.246 1.00 0.00 H new ATOM 0 HD22 LEU B 50 -6.728 2.596 -9.770 1.00 0.00 H new ATOM 0 HD23 LEU B 50 -8.204 3.414 -10.337 1.00 0.00 H new ATOM 1244 N SER B 51 -5.718 4.686 -5.323 1.00 0.00 N ATOM 1245 CA SER B 51 -4.637 5.251 -4.533 1.00 0.00 C ATOM 1246 C SER B 51 -3.662 4.160 -4.119 1.00 0.00 C ATOM 1247 O SER B 51 -2.446 4.310 -4.252 1.00 0.00 O ATOM 1248 CB SER B 51 -5.217 5.916 -3.291 1.00 0.00 C ATOM 1249 OG SER B 51 -4.165 6.505 -2.537 1.00 0.00 O ATOM 0 H SER B 51 -6.651 4.834 -4.938 1.00 0.00 H new ATOM 0 HA SER B 51 -4.104 5.989 -5.132 1.00 0.00 H new ATOM 0 HB2 SER B 51 -5.944 6.676 -3.578 1.00 0.00 H new ATOM 0 HB3 SER B 51 -5.747 5.181 -2.685 1.00 0.00 H new ATOM 0 HG SER B 51 -4.536 6.935 -1.738 1.00 0.00 H new ATOM 1255 N TRP B 52 -4.210 3.057 -3.631 1.00 0.00 N ATOM 1256 CA TRP B 52 -3.389 1.934 -3.207 1.00 0.00 C ATOM 1257 C TRP B 52 -2.697 1.283 -4.409 1.00 0.00 C ATOM 1258 O TRP B 52 -1.502 0.989 -4.364 1.00 0.00 O ATOM 1259 CB TRP B 52 -4.263 0.902 -2.475 1.00 0.00 C ATOM 1260 CG TRP B 52 -4.416 1.272 -1.028 1.00 0.00 C ATOM 1261 CD1 TRP B 52 -5.589 1.548 -0.413 1.00 0.00 C ATOM 1262 CD2 TRP B 52 -3.379 1.406 -0.010 1.00 0.00 C ATOM 1263 NE1 TRP B 52 -5.340 1.830 0.920 1.00 0.00 N ATOM 1264 CE2 TRP B 52 -3.992 1.756 1.217 1.00 0.00 C ATOM 1265 CE3 TRP B 52 -1.980 1.253 -0.033 1.00 0.00 C ATOM 1266 CZ2 TRP B 52 -3.242 1.947 2.381 1.00 0.00 C ATOM 1267 CZ3 TRP B 52 -1.223 1.448 1.134 1.00 0.00 C ATOM 1268 CH2 TRP B 52 -1.851 1.791 2.339 1.00 0.00 C ATOM 0 H TRP B 52 -5.214 2.916 -3.519 1.00 0.00 H new ATOM 0 HA TRP B 52 -2.619 2.300 -2.528 1.00 0.00 H new ATOM 0 HB2 TRP B 52 -5.244 0.847 -2.948 1.00 0.00 H new ATOM 0 HB3 TRP B 52 -3.813 -0.088 -2.558 1.00 0.00 H new ATOM 0 HD1 TRP B 52 -6.561 1.548 -0.884 1.00 0.00 H new ATOM 0 HE1 TRP B 52 -6.063 2.064 1.600 1.00 0.00 H new ATOM 0 HE3 TRP B 52 -1.485 0.984 -0.954 1.00 0.00 H new ATOM 0 HZ2 TRP B 52 -3.732 2.213 3.306 1.00 0.00 H new ATOM 0 HZ3 TRP B 52 -0.150 1.333 1.102 1.00 0.00 H new ATOM 0 HH2 TRP B 52 -1.263 1.935 3.234 1.00 0.00 H new ATOM 1279 N GLN B 53 -3.459 1.055 -5.473 1.00 0.00 N ATOM 1280 CA GLN B 53 -2.912 0.425 -6.675 1.00 0.00 C ATOM 1281 C GLN B 53 -1.841 1.298 -7.329 1.00 0.00 C ATOM 1282 O GLN B 53 -0.774 0.808 -7.701 1.00 0.00 O ATOM 1283 CB GLN B 53 -4.040 0.160 -7.678 1.00 0.00 C ATOM 1284 CG GLN B 53 -3.471 -0.528 -8.920 1.00 0.00 C ATOM 1285 CD GLN B 53 -4.602 -0.966 -9.844 1.00 0.00 C ATOM 1286 OE1 GLN B 53 -5.747 -1.096 -9.411 1.00 0.00 O ATOM 1287 NE2 GLN B 53 -4.353 -1.194 -11.102 1.00 0.00 N ATOM 0 H GLN B 53 -4.449 1.294 -5.531 1.00 0.00 H new ATOM 0 HA GLN B 53 -2.447 -0.516 -6.379 1.00 0.00 H new ATOM 0 HB2 GLN B 53 -4.806 -0.467 -7.222 1.00 0.00 H new ATOM 0 HB3 GLN B 53 -4.520 1.098 -7.957 1.00 0.00 H new ATOM 0 HG2 GLN B 53 -2.803 0.153 -9.448 1.00 0.00 H new ATOM 0 HG3 GLN B 53 -2.877 -1.393 -8.625 1.00 0.00 H new ATOM 0 HE21 GLN B 53 -3.405 -1.087 -11.462 1.00 0.00 H new ATOM 0 HE22 GLN B 53 -5.106 -1.480 -11.727 1.00 0.00 H new ATOM 1296 N ALA B 54 -2.131 2.587 -7.479 1.00 0.00 N ATOM 1297 CA ALA B 54 -1.185 3.507 -8.103 1.00 0.00 C ATOM 1298 C ALA B 54 0.111 3.591 -7.300 1.00 0.00 C ATOM 1299 O ALA B 54 1.201 3.645 -7.870 1.00 0.00 O ATOM 1300 CB ALA B 54 -1.807 4.899 -8.213 1.00 0.00 C ATOM 0 H ALA B 54 -3.007 3.016 -7.180 1.00 0.00 H new ATOM 0 HA ALA B 54 -0.952 3.128 -9.098 1.00 0.00 H new ATOM 0 HB1 ALA B 54 -1.095 5.580 -8.680 1.00 0.00 H new ATOM 0 HB2 ALA B 54 -2.711 4.847 -8.820 1.00 0.00 H new ATOM 0 HB3 ALA B 54 -2.059 5.264 -7.218 1.00 0.00 H new ATOM 1306 N ALA B 55 -0.011 3.604 -5.977 1.00 0.00 N ATOM 1307 CA ALA B 55 1.165 3.685 -5.115 1.00 0.00 C ATOM 1308 C ALA B 55 2.044 2.446 -5.277 1.00 0.00 C ATOM 1309 O ALA B 55 3.266 2.549 -5.376 1.00 0.00 O ATOM 1310 CB ALA B 55 0.727 3.822 -3.655 1.00 0.00 C ATOM 0 H ALA B 55 -0.901 3.560 -5.481 1.00 0.00 H new ATOM 0 HA ALA B 55 1.746 4.560 -5.405 1.00 0.00 H new ATOM 0 HB1 ALA B 55 1.607 3.882 -3.015 1.00 0.00 H new ATOM 0 HB2 ALA B 55 0.131 4.727 -3.537 1.00 0.00 H new ATOM 0 HB3 ALA B 55 0.131 2.955 -3.371 1.00 0.00 H new ATOM 1316 N ILE B 56 1.411 1.279 -5.299 1.00 0.00 N ATOM 1317 CA ILE B 56 2.139 0.022 -5.447 1.00 0.00 C ATOM 1318 C ILE B 56 2.814 -0.052 -6.814 1.00 0.00 C ATOM 1319 O ILE B 56 3.974 -0.452 -6.926 1.00 0.00 O ATOM 1320 CB ILE B 56 1.168 -1.151 -5.284 1.00 0.00 C ATOM 1321 CG1 ILE B 56 0.664 -1.194 -3.839 1.00 0.00 C ATOM 1322 CG2 ILE B 56 1.876 -2.471 -5.611 1.00 0.00 C ATOM 1323 CD1 ILE B 56 -0.529 -2.148 -3.742 1.00 0.00 C ATOM 0 H ILE B 56 0.400 1.176 -5.217 1.00 0.00 H new ATOM 0 HA ILE B 56 2.910 -0.030 -4.679 1.00 0.00 H new ATOM 0 HB ILE B 56 0.329 -1.016 -5.967 1.00 0.00 H new ATOM 0 HG12 ILE B 56 1.462 -1.524 -3.174 1.00 0.00 H new ATOM 0 HG13 ILE B 56 0.372 -0.195 -3.515 1.00 0.00 H new ATOM 0 HG21 ILE B 56 1.176 -3.298 -5.492 1.00 0.00 H new ATOM 0 HG22 ILE B 56 2.236 -2.446 -6.639 1.00 0.00 H new ATOM 0 HG23 ILE B 56 2.719 -2.609 -4.934 1.00 0.00 H new ATOM 0 HD11 ILE B 56 -0.888 -2.179 -2.713 1.00 0.00 H new ATOM 0 HD12 ILE B 56 -1.329 -1.798 -4.395 1.00 0.00 H new ATOM 0 HD13 ILE B 56 -0.221 -3.148 -4.049 1.00 0.00 H new ATOM 1335 N ASP B 57 2.074 0.327 -7.849 1.00 0.00 N ATOM 1336 CA ASP B 57 2.597 0.293 -9.211 1.00 0.00 C ATOM 1337 C ASP B 57 3.789 1.234 -9.357 1.00 0.00 C ATOM 1338 O ASP B 57 4.845 0.844 -9.859 1.00 0.00 O ATOM 1339 CB ASP B 57 1.494 0.697 -10.191 1.00 0.00 C ATOM 1340 CG ASP B 57 2.018 0.660 -11.622 1.00 0.00 C ATOM 1341 OD1 ASP B 57 3.207 0.458 -11.795 1.00 0.00 O ATOM 1342 OD2 ASP B 57 1.217 0.837 -12.526 1.00 0.00 O ATOM 0 H ASP B 57 1.113 0.660 -7.773 1.00 0.00 H new ATOM 0 HA ASP B 57 2.931 -0.721 -9.432 1.00 0.00 H new ATOM 0 HB2 ASP B 57 0.644 0.022 -10.090 1.00 0.00 H new ATOM 0 HB3 ASP B 57 1.136 1.699 -9.953 1.00 0.00 H new ATOM 1347 N ALA B 58 3.615 2.474 -8.914 1.00 0.00 N ATOM 1348 CA ALA B 58 4.683 3.464 -8.998 1.00 0.00 C ATOM 1349 C ALA B 58 5.830 3.096 -8.058 1.00 0.00 C ATOM 1350 O ALA B 58 7.003 3.285 -8.387 1.00 0.00 O ATOM 1351 CB ALA B 58 4.135 4.851 -8.650 1.00 0.00 C ATOM 0 H ALA B 58 2.750 2.817 -8.495 1.00 0.00 H new ATOM 0 HA ALA B 58 5.067 3.480 -10.018 1.00 0.00 H new ATOM 0 HB1 ALA B 58 4.937 5.586 -8.715 1.00 0.00 H new ATOM 0 HB2 ALA B 58 3.343 5.116 -9.351 1.00 0.00 H new ATOM 0 HB3 ALA B 58 3.734 4.840 -7.637 1.00 0.00 H new ATOM 1357 N ALA B 59 5.484 2.566 -6.888 1.00 0.00 N ATOM 1358 CA ALA B 59 6.491 2.173 -5.909 1.00 0.00 C ATOM 1359 C ALA B 59 7.436 1.143 -6.516 1.00 0.00 C ATOM 1360 O ALA B 59 8.659 1.267 -6.425 1.00 0.00 O ATOM 1361 CB ALA B 59 5.809 1.580 -4.675 1.00 0.00 C ATOM 0 H ALA B 59 4.521 2.400 -6.597 1.00 0.00 H new ATOM 0 HA ALA B 59 7.063 3.054 -5.618 1.00 0.00 H new ATOM 0 HB1 ALA B 59 6.565 1.288 -3.946 1.00 0.00 H new ATOM 0 HB2 ALA B 59 5.147 2.324 -4.232 1.00 0.00 H new ATOM 0 HB3 ALA B 59 5.228 0.705 -4.966 1.00 0.00 H new ATOM 1367 N ARG B 60 6.855 0.132 -7.146 1.00 0.00 N ATOM 1368 CA ARG B 60 7.639 -0.918 -7.780 1.00 0.00 C ATOM 1369 C ARG B 60 8.451 -0.353 -8.940 1.00 0.00 C ATOM 1370 O ARG B 60 9.607 -0.726 -9.138 1.00 0.00 O ATOM 1371 CB ARG B 60 6.719 -2.026 -8.282 1.00 0.00 C ATOM 1372 CG ARG B 60 7.560 -3.154 -8.872 1.00 0.00 C ATOM 1373 CD ARG B 60 6.646 -4.331 -9.205 1.00 0.00 C ATOM 1374 NE ARG B 60 7.407 -5.397 -9.853 1.00 0.00 N ATOM 1375 CZ ARG B 60 8.051 -6.322 -9.148 1.00 0.00 C ATOM 1376 NH1 ARG B 60 8.053 -6.267 -7.845 1.00 0.00 N ATOM 1377 NH2 ARG B 60 8.687 -7.281 -9.761 1.00 0.00 N ATOM 0 H ARG B 60 5.845 0.017 -7.232 1.00 0.00 H new ATOM 0 HA ARG B 60 8.326 -1.330 -7.041 1.00 0.00 H new ATOM 0 HB2 ARG B 60 6.106 -2.404 -7.463 1.00 0.00 H new ATOM 0 HB3 ARG B 60 6.037 -1.634 -9.036 1.00 0.00 H new ATOM 0 HG2 ARG B 60 8.074 -2.811 -9.770 1.00 0.00 H new ATOM 0 HG3 ARG B 60 8.328 -3.462 -8.163 1.00 0.00 H new ATOM 0 HD2 ARG B 60 6.182 -4.709 -8.294 1.00 0.00 H new ATOM 0 HD3 ARG B 60 5.840 -4.000 -9.860 1.00 0.00 H new ATOM 0 HE ARG B 60 7.445 -5.432 -10.872 1.00 0.00 H new ATOM 0 HH11 ARG B 60 7.560 -5.514 -7.366 1.00 0.00 H new ATOM 0 HH12 ARG B 60 8.547 -6.977 -7.305 1.00 0.00 H new ATOM 0 HH21 ARG B 60 8.690 -7.321 -10.780 1.00 0.00 H new ATOM 0 HH22 ARG B 60 9.182 -7.991 -9.221 1.00 0.00 H new ATOM 1391 N GLN B 61 7.842 0.548 -9.705 1.00 0.00 N ATOM 1392 CA GLN B 61 8.531 1.148 -10.842 1.00 0.00 C ATOM 1393 C GLN B 61 9.857 1.743 -10.387 1.00 0.00 C ATOM 1394 O GLN B 61 10.888 1.564 -11.038 1.00 0.00 O ATOM 1395 CB GLN B 61 7.656 2.245 -11.457 1.00 0.00 C ATOM 1396 CG GLN B 61 8.417 2.964 -12.584 1.00 0.00 C ATOM 1397 CD GLN B 61 9.314 4.057 -12.009 1.00 0.00 C ATOM 1398 OE1 GLN B 61 10.609 3.956 -12.122 1.00 0.00 O flip ATOM 1399 NE2 GLN B 61 8.822 5.029 -11.439 1.00 0.00 N flip ATOM 0 H GLN B 61 6.887 0.875 -9.562 1.00 0.00 H new ATOM 0 HA GLN B 61 8.722 0.379 -11.591 1.00 0.00 H new ATOM 0 HB2 GLN B 61 6.737 1.810 -11.849 1.00 0.00 H new ATOM 0 HB3 GLN B 61 7.366 2.962 -10.689 1.00 0.00 H new ATOM 0 HG2 GLN B 61 9.019 2.246 -13.140 1.00 0.00 H new ATOM 0 HG3 GLN B 61 7.709 3.400 -13.289 1.00 0.00 H new ATOM 0 HE21 GLN B 61 7.809 5.109 -11.350 1.00 0.00 H new ATOM 0 HE22 GLN B 61 9.427 5.755 -11.055 1.00 0.00 H new ATOM 1408 N ALA B 62 9.825 2.438 -9.256 1.00 0.00 N ATOM 1409 CA ALA B 62 11.033 3.037 -8.711 1.00 0.00 C ATOM 1410 C ALA B 62 12.002 1.948 -8.267 1.00 0.00 C ATOM 1411 O ALA B 62 13.214 2.072 -8.440 1.00 0.00 O ATOM 1412 CB ALA B 62 10.685 3.933 -7.522 1.00 0.00 C ATOM 0 H ALA B 62 8.983 2.599 -8.704 1.00 0.00 H new ATOM 0 HA ALA B 62 11.505 3.641 -9.486 1.00 0.00 H new ATOM 0 HB1 ALA B 62 11.597 4.376 -7.121 1.00 0.00 H new ATOM 0 HB2 ALA B 62 10.010 4.724 -7.848 1.00 0.00 H new ATOM 0 HB3 ALA B 62 10.200 3.338 -6.748 1.00 0.00 H new ATOM 1418 N LYS B 63 11.457 0.879 -7.697 1.00 0.00 N ATOM 1419 CA LYS B 63 12.286 -0.230 -7.237 1.00 0.00 C ATOM 1420 C LYS B 63 13.027 -0.862 -8.406 1.00 0.00 C ATOM 1421 O LYS B 63 14.229 -1.114 -8.326 1.00 0.00 O ATOM 1422 CB LYS B 63 11.408 -1.284 -6.544 1.00 0.00 C ATOM 1423 CG LYS B 63 12.239 -2.509 -6.126 1.00 0.00 C ATOM 1424 CD LYS B 63 13.344 -2.089 -5.151 1.00 0.00 C ATOM 1425 CE LYS B 63 13.890 -3.318 -4.422 1.00 0.00 C ATOM 1426 NZ LYS B 63 14.999 -2.895 -3.522 1.00 0.00 N ATOM 0 H LYS B 63 10.456 0.757 -7.543 1.00 0.00 H new ATOM 0 HA LYS B 63 13.019 0.153 -6.527 1.00 0.00 H new ATOM 0 HB2 LYS B 63 10.933 -0.846 -5.666 1.00 0.00 H new ATOM 0 HB3 LYS B 63 10.609 -1.595 -7.217 1.00 0.00 H new ATOM 0 HG2 LYS B 63 11.594 -3.253 -5.658 1.00 0.00 H new ATOM 0 HG3 LYS B 63 12.679 -2.977 -7.007 1.00 0.00 H new ATOM 0 HD2 LYS B 63 14.148 -1.589 -5.692 1.00 0.00 H new ATOM 0 HD3 LYS B 63 12.951 -1.372 -4.430 1.00 0.00 H new ATOM 0 HE2 LYS B 63 13.098 -3.796 -3.845 1.00 0.00 H new ATOM 0 HE3 LYS B 63 14.249 -4.054 -5.141 1.00 0.00 H new ATOM 0 HZ1 LYS B 63 15.376 -3.725 -3.022 1.00 0.00 H new ATOM 0 HZ2 LYS B 63 15.755 -2.457 -4.085 1.00 0.00 H new ATOM 0 HZ3 LYS B 63 14.641 -2.207 -2.829 1.00 0.00 H new ATOM 1440 N LEU B 64 12.302 -1.127 -9.485 1.00 0.00 N ATOM 1441 CA LEU B 64 12.906 -1.747 -10.660 1.00 0.00 C ATOM 1442 C LEU B 64 13.976 -0.846 -11.269 1.00 0.00 C ATOM 1443 O LEU B 64 15.075 -1.303 -11.587 1.00 0.00 O ATOM 1444 CB LEU B 64 11.817 -2.043 -11.700 1.00 0.00 C ATOM 1445 CG LEU B 64 12.433 -2.650 -12.971 1.00 0.00 C ATOM 1446 CD1 LEU B 64 13.228 -3.917 -12.626 1.00 0.00 C ATOM 1447 CD2 LEU B 64 11.310 -2.997 -13.959 1.00 0.00 C ATOM 0 H LEU B 64 11.306 -0.926 -9.573 1.00 0.00 H new ATOM 0 HA LEU B 64 13.383 -2.677 -10.353 1.00 0.00 H new ATOM 0 HB2 LEU B 64 11.083 -2.731 -11.280 1.00 0.00 H new ATOM 0 HB3 LEU B 64 11.286 -1.125 -11.950 1.00 0.00 H new ATOM 0 HG LEU B 64 13.111 -1.925 -13.422 1.00 0.00 H new ATOM 0 HD11 LEU B 64 13.658 -4.336 -13.536 1.00 0.00 H new ATOM 0 HD12 LEU B 64 14.027 -3.666 -11.929 1.00 0.00 H new ATOM 0 HD13 LEU B 64 12.564 -4.650 -12.168 1.00 0.00 H new ATOM 0 HD21 LEU B 64 11.741 -3.428 -14.863 1.00 0.00 H new ATOM 0 HD22 LEU B 64 10.632 -3.717 -13.501 1.00 0.00 H new ATOM 0 HD23 LEU B 64 10.759 -2.092 -14.216 1.00 0.00 H new ATOM 1459 N MET B 65 13.646 0.428 -11.433 1.00 0.00 N ATOM 1460 CA MET B 65 14.583 1.388 -12.014 1.00 0.00 C ATOM 1461 C MET B 65 15.762 1.640 -11.072 1.00 0.00 C ATOM 1462 O MET B 65 16.897 1.806 -11.519 1.00 0.00 O ATOM 1463 CB MET B 65 13.854 2.702 -12.319 1.00 0.00 C ATOM 1464 CG MET B 65 13.050 2.555 -13.617 1.00 0.00 C ATOM 1465 SD MET B 65 14.187 2.482 -15.029 1.00 0.00 S ATOM 1466 CE MET B 65 13.389 3.740 -16.062 1.00 0.00 C ATOM 0 H MET B 65 12.742 0.822 -11.174 1.00 0.00 H new ATOM 0 HA MET B 65 14.977 0.972 -12.941 1.00 0.00 H new ATOM 0 HB2 MET B 65 13.189 2.961 -11.495 1.00 0.00 H new ATOM 0 HB3 MET B 65 14.574 3.515 -12.415 1.00 0.00 H new ATOM 0 HG2 MET B 65 12.441 1.652 -13.580 1.00 0.00 H new ATOM 0 HG3 MET B 65 12.366 3.396 -13.731 1.00 0.00 H new ATOM 0 HE1 MET B 65 13.943 3.850 -16.994 1.00 0.00 H new ATOM 0 HE2 MET B 65 12.366 3.435 -16.282 1.00 0.00 H new ATOM 0 HE3 MET B 65 13.378 4.692 -15.532 1.00 0.00 H new ATOM 1476 N GLY B 66 15.483 1.666 -9.769 1.00 0.00 N ATOM 1477 CA GLY B 66 16.527 1.898 -8.767 1.00 0.00 C ATOM 1478 C GLY B 66 16.543 3.350 -8.290 1.00 0.00 C ATOM 1479 O GLY B 66 17.428 3.750 -7.533 1.00 0.00 O ATOM 0 H GLY B 66 14.549 1.530 -9.383 1.00 0.00 H new ATOM 0 HA2 GLY B 66 16.366 1.237 -7.915 1.00 0.00 H new ATOM 0 HA3 GLY B 66 17.499 1.643 -9.189 1.00 0.00 H new