USER MOD reduce.3.24.130724 H: found=0, std=0, add=438, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 439 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 26 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 60 ASN : amide:sc= -10.6! C(o=-14!,f=-17!) USER MOD Set 1.3: A 62 GLN : amide:sc= -3.64! C(o=-14!,f=-16!) USER MOD Set 2.1: A 29 SER OG : rot 180:sc= 0.153 USER MOD Set 2.2: A 52 MET CE :methyl -144:sc= -3.13! (180deg=-3.76!) USER MOD Set 3.1: A 28 SER OG : rot 180:sc= -1.39! USER MOD Set 3.2: A 30 SER OG : rot 180:sc= 0.0752 USER MOD Single : A 5 THR OG1 : rot -61:sc= 0.229 USER MOD Single : A 8 GLN : amide:sc= -0.362 K(o=-0.36,f=-2.2!) USER MOD Single : A 13 LYS NZ :NH3+ -133:sc= -0.564 (180deg=-1.69!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -1.83! C(o=-1.8!,f=-1.5!) USER MOD Single : A 24 ASN : amide:sc= -2.46! C(o=-2.5!,f=-1.6!) USER MOD Single : A 34 THR OG1 : rot 90:sc= 1.12 USER MOD Single : A 44 SER OG : rot 42:sc= 0.853 USER MOD Single : A 49 ASN : amide:sc= -0.235 K(o=-0.24,f=-1.5) USER MOD Single : A 53 ASN : amide:sc= -0.814 K(o=-0.81,f=-0.011) USER MOD Single : A 61 HIS : no HD1:sc= -1.79! C(o=-1.8!,f=-2.9!) USER MOD Single : A 66 SER OG : rot 180:sc= 0.118 USER MOD Single : A 72 MET CE :methyl -123:sc= -2.44 (180deg=-5.31!) USER MOD ----------------------------------------------------------------- ATOM 39 N LEU A 4 -15.683 -0.882 -18.972 1.00 0.00 N ATOM 40 CA LEU A 4 -15.013 -0.197 -17.829 1.00 0.00 C ATOM 41 C LEU A 4 -15.690 -0.586 -16.511 1.00 0.00 C ATOM 42 O LEU A 4 -16.007 -1.736 -16.284 1.00 0.00 O ATOM 43 CB LEU A 4 -15.186 1.296 -18.110 1.00 0.00 C ATOM 44 CG LEU A 4 -14.791 1.593 -19.557 1.00 0.00 C ATOM 45 CD1 LEU A 4 -15.981 2.208 -20.296 1.00 0.00 C ATOM 46 CD2 LEU A 4 -13.619 2.577 -19.573 1.00 0.00 C ATOM 0 HA LEU A 4 -13.963 -0.472 -17.735 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -16.221 1.592 -17.936 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -14.569 1.879 -17.427 1.00 0.00 H new ATOM 0 HG LEU A 4 -14.497 0.667 -20.050 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -15.699 2.420 -21.327 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -16.817 1.509 -20.285 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -16.276 3.134 -19.803 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -13.336 2.790 -20.604 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -13.915 3.503 -19.080 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -12.770 2.140 -19.047 1.00 0.00 H new ATOM 58 N THR A 5 -15.912 0.360 -15.637 1.00 0.00 N ATOM 59 CA THR A 5 -16.572 0.034 -14.335 1.00 0.00 C ATOM 60 C THR A 5 -15.830 -1.116 -13.655 1.00 0.00 C ATOM 61 O THR A 5 -14.630 -1.237 -13.773 1.00 0.00 O ATOM 62 CB THR A 5 -18.006 -0.383 -14.690 1.00 0.00 C ATOM 63 OG1 THR A 5 -18.025 -1.753 -15.068 1.00 0.00 O ATOM 64 CG2 THR A 5 -18.530 0.474 -15.846 1.00 0.00 C ATOM 0 H THR A 5 -15.666 1.342 -15.766 1.00 0.00 H new ATOM 0 HA THR A 5 -16.564 0.879 -13.647 1.00 0.00 H new ATOM 0 HB THR A 5 -18.645 -0.237 -13.819 1.00 0.00 H new ATOM 0 HG1 THR A 5 -17.464 -1.881 -15.861 1.00 0.00 H new ATOM 0 HG21 THR A 5 -19.548 0.171 -16.091 1.00 0.00 H new ATOM 0 HG22 THR A 5 -18.524 1.524 -15.552 1.00 0.00 H new ATOM 0 HG23 THR A 5 -17.891 0.338 -16.719 1.00 0.00 H new ATOM 72 N GLU A 6 -16.530 -1.966 -12.949 1.00 0.00 N ATOM 73 CA GLU A 6 -15.837 -3.106 -12.276 1.00 0.00 C ATOM 74 C GLU A 6 -14.825 -3.719 -13.240 1.00 0.00 C ATOM 75 O GLU A 6 -13.765 -4.162 -12.848 1.00 0.00 O ATOM 76 CB GLU A 6 -16.928 -4.122 -11.939 1.00 0.00 C ATOM 77 CG GLU A 6 -18.113 -3.414 -11.275 1.00 0.00 C ATOM 78 CD GLU A 6 -18.586 -4.232 -10.072 1.00 0.00 C ATOM 79 OE1 GLU A 6 -17.740 -4.699 -9.327 1.00 0.00 O ATOM 80 OE2 GLU A 6 -19.787 -4.379 -9.916 1.00 0.00 O ATOM 0 H GLU A 6 -17.540 -1.922 -12.810 1.00 0.00 H new ATOM 0 HA GLU A 6 -15.302 -2.790 -11.380 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -17.258 -4.629 -12.846 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -16.531 -4.888 -11.273 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -17.820 -2.414 -10.956 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -18.927 -3.295 -11.990 1.00 0.00 H new ATOM 87 N GLU A 7 -15.139 -3.729 -14.507 1.00 0.00 N ATOM 88 CA GLU A 7 -14.182 -4.291 -15.496 1.00 0.00 C ATOM 89 C GLU A 7 -12.863 -3.533 -15.378 1.00 0.00 C ATOM 90 O GLU A 7 -11.805 -4.115 -15.231 1.00 0.00 O ATOM 91 CB GLU A 7 -14.827 -4.052 -16.863 1.00 0.00 C ATOM 92 CG GLU A 7 -14.268 -5.054 -17.874 1.00 0.00 C ATOM 93 CD GLU A 7 -15.404 -5.580 -18.753 1.00 0.00 C ATOM 94 OE1 GLU A 7 -16.413 -4.901 -18.851 1.00 0.00 O ATOM 95 OE2 GLU A 7 -15.247 -6.653 -19.311 1.00 0.00 O ATOM 0 H GLU A 7 -16.012 -3.374 -14.896 1.00 0.00 H new ATOM 0 HA GLU A 7 -13.976 -5.350 -15.341 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -15.909 -4.159 -16.790 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -14.629 -3.034 -17.197 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -13.507 -4.577 -18.492 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -13.784 -5.880 -17.353 1.00 0.00 H new ATOM 102 N GLN A 8 -12.926 -2.229 -15.412 1.00 0.00 N ATOM 103 CA GLN A 8 -11.681 -1.425 -15.271 1.00 0.00 C ATOM 104 C GLN A 8 -11.196 -1.514 -13.821 1.00 0.00 C ATOM 105 O GLN A 8 -10.043 -1.781 -13.556 1.00 0.00 O ATOM 106 CB GLN A 8 -12.081 0.011 -15.663 1.00 0.00 C ATOM 107 CG GLN A 8 -12.479 0.830 -14.429 1.00 0.00 C ATOM 108 CD GLN A 8 -12.651 2.297 -14.825 1.00 0.00 C ATOM 109 OE1 GLN A 8 -12.009 2.771 -15.742 1.00 0.00 O ATOM 110 NE2 GLN A 8 -13.498 3.043 -14.168 1.00 0.00 N ATOM 0 H GLN A 8 -13.783 -1.689 -15.531 1.00 0.00 H new ATOM 0 HA GLN A 8 -10.862 -1.776 -15.899 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -11.249 0.497 -16.173 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -12.913 -0.019 -16.367 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -13.407 0.445 -14.007 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -11.716 0.738 -13.656 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -14.037 2.646 -13.398 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -13.620 4.023 -14.424 1.00 0.00 H new ATOM 119 N ILE A 9 -12.082 -1.308 -12.883 1.00 0.00 N ATOM 120 CA ILE A 9 -11.693 -1.393 -11.449 1.00 0.00 C ATOM 121 C ILE A 9 -11.034 -2.743 -11.170 1.00 0.00 C ATOM 122 O ILE A 9 -9.856 -2.817 -10.891 1.00 0.00 O ATOM 123 CB ILE A 9 -13.006 -1.273 -10.675 1.00 0.00 C ATOM 124 CG1 ILE A 9 -13.669 0.069 -10.995 1.00 0.00 C ATOM 125 CG2 ILE A 9 -12.721 -1.356 -9.176 1.00 0.00 C ATOM 126 CD1 ILE A 9 -15.165 -0.016 -10.689 1.00 0.00 C ATOM 0 H ILE A 9 -13.063 -1.084 -13.051 1.00 0.00 H new ATOM 0 HA ILE A 9 -10.980 -0.619 -11.165 1.00 0.00 H new ATOM 0 HB ILE A 9 -13.674 -2.084 -10.965 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -13.211 0.863 -10.405 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -13.515 0.322 -12.044 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -13.656 -1.271 -8.623 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -12.250 -2.312 -8.948 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -12.053 -0.545 -8.887 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -15.638 0.939 -10.917 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -15.617 -0.799 -11.298 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -15.308 -0.249 -9.634 1.00 0.00 H new ATOM 138 N ALA A 10 -11.786 -3.813 -11.247 1.00 0.00 N ATOM 139 CA ALA A 10 -11.192 -5.158 -10.991 1.00 0.00 C ATOM 140 C ALA A 10 -9.809 -5.247 -11.639 1.00 0.00 C ATOM 141 O ALA A 10 -8.844 -5.655 -11.019 1.00 0.00 O ATOM 142 CB ALA A 10 -12.157 -6.148 -11.643 1.00 0.00 C ATOM 0 H ALA A 10 -12.780 -3.812 -11.475 1.00 0.00 H new ATOM 0 HA ALA A 10 -11.062 -5.361 -9.928 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -11.789 -7.164 -11.498 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -13.142 -6.050 -11.187 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -12.229 -5.937 -12.710 1.00 0.00 H new ATOM 148 N GLU A 11 -9.701 -4.852 -12.879 1.00 0.00 N ATOM 149 CA GLU A 11 -8.378 -4.899 -13.562 1.00 0.00 C ATOM 150 C GLU A 11 -7.392 -3.985 -12.832 1.00 0.00 C ATOM 151 O GLU A 11 -6.249 -4.334 -12.613 1.00 0.00 O ATOM 152 CB GLU A 11 -8.641 -4.387 -14.978 1.00 0.00 C ATOM 153 CG GLU A 11 -9.422 -5.440 -15.767 1.00 0.00 C ATOM 154 CD GLU A 11 -8.485 -6.586 -16.154 1.00 0.00 C ATOM 155 OE1 GLU A 11 -8.192 -7.402 -15.295 1.00 0.00 O ATOM 156 OE2 GLU A 11 -8.078 -6.628 -17.303 1.00 0.00 O ATOM 0 H GLU A 11 -10.471 -4.499 -13.447 1.00 0.00 H new ATOM 0 HA GLU A 11 -7.946 -5.900 -13.572 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -9.204 -3.455 -14.940 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -7.697 -4.169 -15.478 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -10.250 -5.819 -15.168 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -9.855 -4.992 -16.661 1.00 0.00 H new ATOM 163 N PHE A 12 -7.833 -2.819 -12.445 1.00 0.00 N ATOM 164 CA PHE A 12 -6.931 -1.883 -11.719 1.00 0.00 C ATOM 165 C PHE A 12 -6.518 -2.499 -10.381 1.00 0.00 C ATOM 166 O PHE A 12 -5.350 -2.577 -10.059 1.00 0.00 O ATOM 167 CB PHE A 12 -7.765 -0.619 -11.500 1.00 0.00 C ATOM 168 CG PHE A 12 -7.909 0.120 -12.810 1.00 0.00 C ATOM 169 CD1 PHE A 12 -6.785 0.331 -13.618 1.00 0.00 C ATOM 170 CD2 PHE A 12 -9.163 0.592 -13.218 1.00 0.00 C ATOM 171 CE1 PHE A 12 -6.915 1.016 -14.833 1.00 0.00 C ATOM 172 CE2 PHE A 12 -9.292 1.276 -14.432 1.00 0.00 C ATOM 173 CZ PHE A 12 -8.168 1.488 -15.239 1.00 0.00 C ATOM 0 H PHE A 12 -8.780 -2.475 -12.601 1.00 0.00 H new ATOM 0 HA PHE A 12 -6.015 -1.670 -12.270 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -8.748 -0.882 -11.108 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -7.287 0.022 -10.759 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -5.818 -0.034 -13.305 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -10.030 0.428 -12.596 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -6.048 1.180 -15.456 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -10.259 1.640 -14.746 1.00 0.00 H new ATOM 0 HZ PHE A 12 -8.268 2.016 -16.176 1.00 0.00 H new ATOM 183 N LYS A 13 -7.472 -2.943 -9.606 1.00 0.00 N ATOM 184 CA LYS A 13 -7.141 -3.565 -8.292 1.00 0.00 C ATOM 185 C LYS A 13 -5.921 -4.473 -8.449 1.00 0.00 C ATOM 186 O LYS A 13 -4.938 -4.334 -7.749 1.00 0.00 O ATOM 187 CB LYS A 13 -8.376 -4.384 -7.916 1.00 0.00 C ATOM 188 CG LYS A 13 -9.335 -3.516 -7.098 1.00 0.00 C ATOM 189 CD LYS A 13 -10.078 -4.390 -6.086 1.00 0.00 C ATOM 190 CE LYS A 13 -9.153 -4.709 -4.910 1.00 0.00 C ATOM 191 NZ LYS A 13 -8.787 -6.142 -5.088 1.00 0.00 N ATOM 0 H LYS A 13 -8.467 -2.901 -9.827 1.00 0.00 H new ATOM 0 HA LYS A 13 -6.901 -2.827 -7.527 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -8.874 -4.745 -8.816 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -8.082 -5.262 -7.340 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -8.781 -2.732 -6.580 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -10.047 -3.020 -7.758 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -10.971 -3.875 -5.731 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -10.410 -5.313 -6.561 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -8.269 -4.071 -4.918 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -9.655 -4.545 -3.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -8.894 -6.643 -4.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -9.411 -6.574 -5.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -7.799 -6.211 -5.407 1.00 0.00 H new ATOM 205 N GLU A 14 -5.969 -5.391 -9.375 1.00 0.00 N ATOM 206 CA GLU A 14 -4.798 -6.287 -9.582 1.00 0.00 C ATOM 207 C GLU A 14 -3.549 -5.436 -9.819 1.00 0.00 C ATOM 208 O GLU A 14 -2.503 -5.669 -9.243 1.00 0.00 O ATOM 209 CB GLU A 14 -5.138 -7.108 -10.828 1.00 0.00 C ATOM 210 CG GLU A 14 -4.098 -8.216 -11.009 1.00 0.00 C ATOM 211 CD GLU A 14 -4.787 -9.580 -10.931 1.00 0.00 C ATOM 212 OE1 GLU A 14 -5.217 -9.944 -9.849 1.00 0.00 O ATOM 213 OE2 GLU A 14 -4.872 -10.237 -11.956 1.00 0.00 O ATOM 0 H GLU A 14 -6.763 -5.558 -9.993 1.00 0.00 H new ATOM 0 HA GLU A 14 -4.599 -6.929 -8.724 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -6.133 -7.541 -10.730 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -5.156 -6.464 -11.707 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -3.596 -8.105 -11.970 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -3.331 -8.139 -10.238 1.00 0.00 H new ATOM 220 N ALA A 15 -3.659 -4.436 -10.653 1.00 0.00 N ATOM 221 CA ALA A 15 -2.488 -3.556 -10.917 1.00 0.00 C ATOM 222 C ALA A 15 -2.104 -2.814 -9.636 1.00 0.00 C ATOM 223 O ALA A 15 -0.954 -2.781 -9.247 1.00 0.00 O ATOM 224 CB ALA A 15 -2.961 -2.574 -11.988 1.00 0.00 C ATOM 0 H ALA A 15 -4.509 -4.192 -11.161 1.00 0.00 H new ATOM 0 HA ALA A 15 -1.610 -4.113 -11.243 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -2.150 -1.889 -12.237 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -3.258 -3.124 -12.881 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -3.812 -2.007 -11.611 1.00 0.00 H new ATOM 230 N PHE A 16 -3.063 -2.228 -8.970 1.00 0.00 N ATOM 231 CA PHE A 16 -2.750 -1.500 -7.708 1.00 0.00 C ATOM 232 C PHE A 16 -1.821 -2.352 -6.844 1.00 0.00 C ATOM 233 O PHE A 16 -0.731 -1.943 -6.496 1.00 0.00 O ATOM 234 CB PHE A 16 -4.098 -1.304 -7.011 1.00 0.00 C ATOM 235 CG PHE A 16 -3.861 -0.890 -5.577 1.00 0.00 C ATOM 236 CD1 PHE A 16 -3.449 0.416 -5.284 1.00 0.00 C ATOM 237 CD2 PHE A 16 -4.052 -1.813 -4.542 1.00 0.00 C ATOM 238 CE1 PHE A 16 -3.228 0.798 -3.954 1.00 0.00 C ATOM 239 CE2 PHE A 16 -3.831 -1.430 -3.214 1.00 0.00 C ATOM 240 CZ PHE A 16 -3.419 -0.125 -2.920 1.00 0.00 C ATOM 0 H PHE A 16 -4.045 -2.222 -9.244 1.00 0.00 H new ATOM 0 HA PHE A 16 -2.249 -0.549 -7.888 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -4.682 -0.544 -7.530 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -4.676 -2.228 -7.045 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -3.302 1.128 -6.082 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -4.370 -2.820 -4.768 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -2.910 1.805 -3.727 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -3.978 -2.142 -2.415 1.00 0.00 H new ATOM 0 HZ PHE A 16 -3.249 0.169 -1.895 1.00 0.00 H new ATOM 250 N ALA A 17 -2.241 -3.541 -6.503 1.00 0.00 N ATOM 251 CA ALA A 17 -1.378 -4.422 -5.670 1.00 0.00 C ATOM 252 C ALA A 17 0.034 -4.462 -6.258 1.00 0.00 C ATOM 253 O ALA A 17 1.012 -4.280 -5.562 1.00 0.00 O ATOM 254 CB ALA A 17 -2.031 -5.803 -5.743 1.00 0.00 C ATOM 0 H ALA A 17 -3.143 -3.938 -6.766 1.00 0.00 H new ATOM 0 HA ALA A 17 -1.291 -4.072 -4.641 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -1.451 -6.511 -5.152 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -3.046 -5.747 -5.349 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -2.062 -6.136 -6.780 1.00 0.00 H new ATOM 260 N LEU A 18 0.144 -4.689 -7.539 1.00 0.00 N ATOM 261 CA LEU A 18 1.493 -4.730 -8.171 1.00 0.00 C ATOM 262 C LEU A 18 2.274 -3.465 -7.807 1.00 0.00 C ATOM 263 O LEU A 18 3.473 -3.497 -7.612 1.00 0.00 O ATOM 264 CB LEU A 18 1.226 -4.783 -9.675 1.00 0.00 C ATOM 265 CG LEU A 18 2.471 -5.299 -10.397 1.00 0.00 C ATOM 266 CD1 LEU A 18 2.052 -6.230 -11.537 1.00 0.00 C ATOM 267 CD2 LEU A 18 3.256 -4.115 -10.970 1.00 0.00 C ATOM 0 H LEU A 18 -0.639 -4.847 -8.173 1.00 0.00 H new ATOM 0 HA LEU A 18 2.085 -5.582 -7.836 1.00 0.00 H new ATOM 0 HB2 LEU A 18 0.377 -5.435 -9.881 1.00 0.00 H new ATOM 0 HB3 LEU A 18 0.964 -3.791 -10.044 1.00 0.00 H new ATOM 0 HG LEU A 18 3.098 -5.846 -9.693 1.00 0.00 H new ATOM 0 HD11 LEU A 18 2.940 -6.598 -12.051 1.00 0.00 H new ATOM 0 HD12 LEU A 18 1.492 -7.073 -11.131 1.00 0.00 H new ATOM 0 HD13 LEU A 18 1.425 -5.683 -12.241 1.00 0.00 H new ATOM 0 HD21 LEU A 18 4.144 -4.482 -11.485 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.628 -3.569 -11.674 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.555 -3.451 -10.159 1.00 0.00 H new ATOM 279 N PHE A 19 1.599 -2.351 -7.706 1.00 0.00 N ATOM 280 CA PHE A 19 2.299 -1.084 -7.347 1.00 0.00 C ATOM 281 C PHE A 19 2.596 -1.061 -5.845 1.00 0.00 C ATOM 282 O PHE A 19 3.671 -0.690 -5.420 1.00 0.00 O ATOM 283 CB PHE A 19 1.317 0.033 -7.714 1.00 0.00 C ATOM 284 CG PHE A 19 1.222 0.176 -9.218 1.00 0.00 C ATOM 285 CD1 PHE A 19 1.812 -0.775 -10.062 1.00 0.00 C ATOM 286 CD2 PHE A 19 0.539 1.268 -9.770 1.00 0.00 C ATOM 287 CE1 PHE A 19 1.720 -0.635 -11.452 1.00 0.00 C ATOM 288 CE2 PHE A 19 0.446 1.408 -11.159 1.00 0.00 C ATOM 289 CZ PHE A 19 1.037 0.458 -12.001 1.00 0.00 C ATOM 0 H PHE A 19 0.594 -2.264 -7.857 1.00 0.00 H new ATOM 0 HA PHE A 19 3.251 -0.975 -7.867 1.00 0.00 H new ATOM 0 HB2 PHE A 19 0.333 -0.188 -7.300 1.00 0.00 H new ATOM 0 HB3 PHE A 19 1.645 0.974 -7.272 1.00 0.00 H new ATOM 0 HD1 PHE A 19 2.339 -1.618 -9.639 1.00 0.00 H new ATOM 0 HD2 PHE A 19 0.084 2.003 -9.122 1.00 0.00 H new ATOM 0 HE1 PHE A 19 2.175 -1.369 -12.100 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -0.082 2.250 -11.582 1.00 0.00 H new ATOM 0 HZ PHE A 19 0.966 0.568 -13.073 1.00 0.00 H new ATOM 299 N ASP A 20 1.647 -1.458 -5.041 1.00 0.00 N ATOM 300 CA ASP A 20 1.870 -1.462 -3.566 1.00 0.00 C ATOM 301 C ASP A 20 2.975 -2.456 -3.202 1.00 0.00 C ATOM 302 O ASP A 20 3.558 -2.383 -2.138 1.00 0.00 O ATOM 303 CB ASP A 20 0.529 -1.898 -2.966 1.00 0.00 C ATOM 304 CG ASP A 20 0.738 -2.389 -1.531 1.00 0.00 C ATOM 305 OD1 ASP A 20 1.626 -1.873 -0.871 1.00 0.00 O ATOM 306 OD2 ASP A 20 0.006 -3.273 -1.116 1.00 0.00 O ATOM 0 H ASP A 20 0.727 -1.780 -5.341 1.00 0.00 H new ATOM 0 HA ASP A 20 2.186 -0.489 -3.191 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -0.173 -1.064 -2.976 1.00 0.00 H new ATOM 0 HB3 ASP A 20 0.090 -2.691 -3.571 1.00 0.00 H new ATOM 311 N LYS A 21 3.269 -3.384 -4.075 1.00 0.00 N ATOM 312 CA LYS A 21 4.337 -4.383 -3.773 1.00 0.00 C ATOM 313 C LYS A 21 4.225 -4.838 -2.317 1.00 0.00 C ATOM 314 O LYS A 21 5.177 -4.784 -1.563 1.00 0.00 O ATOM 315 CB LYS A 21 5.653 -3.640 -4.006 1.00 0.00 C ATOM 316 CG LYS A 21 6.218 -4.019 -5.376 1.00 0.00 C ATOM 317 CD LYS A 21 6.349 -5.540 -5.472 1.00 0.00 C ATOM 318 CE LYS A 21 7.622 -5.897 -6.242 1.00 0.00 C ATOM 319 NZ LYS A 21 7.250 -5.768 -7.679 1.00 0.00 N ATOM 0 H LYS A 21 2.817 -3.493 -4.983 1.00 0.00 H new ATOM 0 HA LYS A 21 4.262 -5.275 -4.395 1.00 0.00 H new ATOM 0 HB2 LYS A 21 5.489 -2.564 -3.954 1.00 0.00 H new ATOM 0 HB3 LYS A 21 6.369 -3.892 -3.223 1.00 0.00 H new ATOM 0 HG2 LYS A 21 5.564 -3.649 -6.166 1.00 0.00 H new ATOM 0 HG3 LYS A 21 7.191 -3.550 -5.522 1.00 0.00 H new ATOM 0 HD2 LYS A 21 6.381 -5.976 -4.474 1.00 0.00 H new ATOM 0 HD3 LYS A 21 5.478 -5.959 -5.975 1.00 0.00 H new ATOM 0 HE2 LYS A 21 8.441 -5.226 -5.984 1.00 0.00 H new ATOM 0 HE3 LYS A 21 7.954 -6.909 -6.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 8.073 -5.997 -8.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 6.473 -6.424 -7.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 6.945 -4.793 -7.872 1.00 0.00 H new ATOM 333 N ASP A 22 3.066 -5.278 -1.915 1.00 0.00 N ATOM 334 CA ASP A 22 2.886 -5.727 -0.505 1.00 0.00 C ATOM 335 C ASP A 22 1.439 -6.178 -0.262 1.00 0.00 C ATOM 336 O ASP A 22 1.172 -6.994 0.597 1.00 0.00 O ATOM 337 CB ASP A 22 3.218 -4.492 0.337 1.00 0.00 C ATOM 338 CG ASP A 22 2.675 -4.668 1.756 1.00 0.00 C ATOM 339 OD1 ASP A 22 2.445 -5.800 2.146 1.00 0.00 O ATOM 340 OD2 ASP A 22 2.499 -3.664 2.428 1.00 0.00 O ATOM 0 H ASP A 22 2.234 -5.347 -2.502 1.00 0.00 H new ATOM 0 HA ASP A 22 3.519 -6.579 -0.256 1.00 0.00 H new ATOM 0 HB2 ASP A 22 4.297 -4.341 0.367 1.00 0.00 H new ATOM 0 HB3 ASP A 22 2.785 -3.602 -0.120 1.00 0.00 H new ATOM 345 N ASN A 23 0.504 -5.653 -1.011 1.00 0.00 N ATOM 346 CA ASN A 23 -0.926 -6.047 -0.827 1.00 0.00 C ATOM 347 C ASN A 23 -1.464 -5.459 0.477 1.00 0.00 C ATOM 348 O ASN A 23 -2.480 -5.884 0.989 1.00 0.00 O ATOM 349 CB ASN A 23 -0.935 -7.573 -0.760 1.00 0.00 C ATOM 350 CG ASN A 23 0.081 -8.150 -1.750 1.00 0.00 C ATOM 351 OD1 ASN A 23 0.801 -9.075 -1.431 1.00 0.00 O ATOM 352 ND2 ASN A 23 0.169 -7.638 -2.947 1.00 0.00 N ATOM 0 H ASN A 23 0.670 -4.965 -1.746 1.00 0.00 H new ATOM 0 HA ASN A 23 -1.554 -5.679 -1.639 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -0.696 -7.902 0.251 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -1.932 -7.949 -0.990 1.00 0.00 H new ATOM 0 HD21 ASN A 23 0.842 -8.014 -3.614 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -0.435 -6.861 -3.215 1.00 0.00 H new ATOM 359 N ASN A 24 -0.794 -4.478 1.010 1.00 0.00 N ATOM 360 CA ASN A 24 -1.264 -3.851 2.277 1.00 0.00 C ATOM 361 C ASN A 24 -2.369 -2.833 1.971 1.00 0.00 C ATOM 362 O ASN A 24 -2.773 -2.064 2.821 1.00 0.00 O ATOM 363 CB ASN A 24 -0.025 -3.162 2.847 1.00 0.00 C ATOM 364 CG ASN A 24 -0.445 -2.127 3.889 1.00 0.00 C ATOM 365 OD1 ASN A 24 0.067 -1.025 3.908 1.00 0.00 O ATOM 366 ND2 ASN A 24 -1.361 -2.439 4.763 1.00 0.00 N ATOM 0 H ASN A 24 0.062 -4.081 0.622 1.00 0.00 H new ATOM 0 HA ASN A 24 -1.685 -4.571 2.979 1.00 0.00 H new ATOM 0 HB2 ASN A 24 0.637 -3.900 3.300 1.00 0.00 H new ATOM 0 HB3 ASN A 24 0.535 -2.679 2.046 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -1.649 -1.757 5.465 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -1.789 -3.365 4.745 1.00 0.00 H new ATOM 373 N GLY A 25 -2.860 -2.825 0.762 1.00 0.00 N ATOM 374 CA GLY A 25 -3.938 -1.863 0.399 1.00 0.00 C ATOM 375 C GLY A 25 -3.381 -0.438 0.413 1.00 0.00 C ATOM 376 O GLY A 25 -4.108 0.521 0.577 1.00 0.00 O ATOM 0 H GLY A 25 -2.560 -3.444 0.009 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -4.333 -2.100 -0.589 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -4.766 -1.947 1.102 1.00 0.00 H new ATOM 380 N SER A 26 -2.096 -0.291 0.241 1.00 0.00 N ATOM 381 CA SER A 26 -1.498 1.075 0.243 1.00 0.00 C ATOM 382 C SER A 26 -0.180 1.079 -0.537 1.00 0.00 C ATOM 383 O SER A 26 0.633 0.185 -0.408 1.00 0.00 O ATOM 384 CB SER A 26 -1.257 1.399 1.718 1.00 0.00 C ATOM 385 OG SER A 26 0.107 1.750 1.911 1.00 0.00 O ATOM 0 H SER A 26 -1.435 -1.055 0.099 1.00 0.00 H new ATOM 0 HA SER A 26 -2.146 1.811 -0.233 1.00 0.00 H new ATOM 0 HB2 SER A 26 -1.902 2.220 2.031 1.00 0.00 H new ATOM 0 HB3 SER A 26 -1.513 0.539 2.337 1.00 0.00 H new ATOM 0 HG SER A 26 0.260 1.959 2.856 1.00 0.00 H new ATOM 391 N ILE A 27 0.034 2.080 -1.345 1.00 0.00 N ATOM 392 CA ILE A 27 1.296 2.147 -2.136 1.00 0.00 C ATOM 393 C ILE A 27 2.250 3.175 -1.513 1.00 0.00 C ATOM 394 O ILE A 27 1.911 4.331 -1.349 1.00 0.00 O ATOM 395 CB ILE A 27 0.847 2.570 -3.545 1.00 0.00 C ATOM 396 CG1 ILE A 27 0.631 1.320 -4.400 1.00 0.00 C ATOM 397 CG2 ILE A 27 1.907 3.454 -4.213 1.00 0.00 C ATOM 398 CD1 ILE A 27 -0.653 1.477 -5.217 1.00 0.00 C ATOM 0 H ILE A 27 -0.611 2.856 -1.492 1.00 0.00 H new ATOM 0 HA ILE A 27 1.839 1.202 -2.157 1.00 0.00 H new ATOM 0 HB ILE A 27 -0.080 3.137 -3.459 1.00 0.00 H new ATOM 0 HG12 ILE A 27 1.482 1.170 -5.065 1.00 0.00 H new ATOM 0 HG13 ILE A 27 0.564 0.438 -3.763 1.00 0.00 H new ATOM 0 HG21 ILE A 27 1.567 3.741 -5.208 1.00 0.00 H new ATOM 0 HG22 ILE A 27 2.065 4.349 -3.612 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.843 2.901 -4.294 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -0.808 0.587 -5.827 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -1.500 1.607 -4.543 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -0.568 2.350 -5.865 1.00 0.00 H new ATOM 410 N SER A 28 3.438 2.764 -1.170 1.00 0.00 N ATOM 411 CA SER A 28 4.413 3.716 -0.565 1.00 0.00 C ATOM 412 C SER A 28 5.479 4.102 -1.593 1.00 0.00 C ATOM 413 O SER A 28 5.709 3.398 -2.556 1.00 0.00 O ATOM 414 CB SER A 28 5.038 2.953 0.605 1.00 0.00 C ATOM 415 OG SER A 28 6.397 2.657 0.306 1.00 0.00 O ATOM 0 H SER A 28 3.778 1.809 -1.282 1.00 0.00 H new ATOM 0 HA SER A 28 3.941 4.642 -0.237 1.00 0.00 H new ATOM 0 HB2 SER A 28 4.976 3.548 1.516 1.00 0.00 H new ATOM 0 HB3 SER A 28 4.486 2.031 0.789 1.00 0.00 H new ATOM 0 HG SER A 28 6.798 2.170 1.056 1.00 0.00 H new ATOM 421 N SER A 29 6.131 5.215 -1.400 1.00 0.00 N ATOM 422 CA SER A 29 7.179 5.644 -2.370 1.00 0.00 C ATOM 423 C SER A 29 8.048 4.449 -2.774 1.00 0.00 C ATOM 424 O SER A 29 8.399 4.287 -3.926 1.00 0.00 O ATOM 425 CB SER A 29 8.011 6.682 -1.619 1.00 0.00 C ATOM 426 OG SER A 29 7.224 7.257 -0.585 1.00 0.00 O ATOM 0 H SER A 29 5.984 5.847 -0.613 1.00 0.00 H new ATOM 0 HA SER A 29 6.752 6.050 -3.287 1.00 0.00 H new ATOM 0 HB2 SER A 29 8.901 6.215 -1.197 1.00 0.00 H new ATOM 0 HB3 SER A 29 8.352 7.457 -2.305 1.00 0.00 H new ATOM 0 HG SER A 29 7.756 7.922 -0.100 1.00 0.00 H new ATOM 432 N SER A 30 8.398 3.613 -1.836 1.00 0.00 N ATOM 433 CA SER A 30 9.246 2.432 -2.166 1.00 0.00 C ATOM 434 C SER A 30 8.442 1.409 -2.974 1.00 0.00 C ATOM 435 O SER A 30 8.945 0.798 -3.896 1.00 0.00 O ATOM 436 CB SER A 30 9.653 1.847 -0.815 1.00 0.00 C ATOM 437 OG SER A 30 9.762 2.897 0.137 1.00 0.00 O ATOM 0 H SER A 30 8.134 3.696 -0.854 1.00 0.00 H new ATOM 0 HA SER A 30 10.111 2.703 -2.771 1.00 0.00 H new ATOM 0 HB2 SER A 30 8.915 1.116 -0.485 1.00 0.00 H new ATOM 0 HB3 SER A 30 10.604 1.322 -0.905 1.00 0.00 H new ATOM 0 HG SER A 30 10.021 2.525 1.006 1.00 0.00 H new ATOM 443 N GLU A 31 7.197 1.217 -2.636 1.00 0.00 N ATOM 444 CA GLU A 31 6.365 0.231 -3.384 1.00 0.00 C ATOM 445 C GLU A 31 6.152 0.701 -4.826 1.00 0.00 C ATOM 446 O GLU A 31 6.669 0.123 -5.760 1.00 0.00 O ATOM 447 CB GLU A 31 5.034 0.180 -2.632 1.00 0.00 C ATOM 448 CG GLU A 31 5.298 0.083 -1.128 1.00 0.00 C ATOM 449 CD GLU A 31 4.076 -0.519 -0.432 1.00 0.00 C ATOM 450 OE1 GLU A 31 2.992 0.009 -0.620 1.00 0.00 O ATOM 451 OE2 GLU A 31 4.243 -1.497 0.276 1.00 0.00 O ATOM 0 H GLU A 31 6.719 1.700 -1.875 1.00 0.00 H new ATOM 0 HA GLU A 31 6.838 -0.749 -3.438 1.00 0.00 H new ATOM 0 HB2 GLU A 31 4.446 1.071 -2.852 1.00 0.00 H new ATOM 0 HB3 GLU A 31 4.449 -0.677 -2.965 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.177 -0.535 -0.942 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.511 1.072 -0.721 1.00 0.00 H new ATOM 458 N LEU A 32 5.391 1.745 -5.014 1.00 0.00 N ATOM 459 CA LEU A 32 5.145 2.249 -6.396 1.00 0.00 C ATOM 460 C LEU A 32 6.472 2.427 -7.140 1.00 0.00 C ATOM 461 O LEU A 32 6.549 2.254 -8.339 1.00 0.00 O ATOM 462 CB LEU A 32 4.450 3.597 -6.209 1.00 0.00 C ATOM 463 CG LEU A 32 3.117 3.593 -6.959 1.00 0.00 C ATOM 464 CD1 LEU A 32 2.507 4.995 -6.925 1.00 0.00 C ATOM 465 CD2 LEU A 32 3.351 3.175 -8.412 1.00 0.00 C ATOM 0 H LEU A 32 4.929 2.270 -4.271 1.00 0.00 H new ATOM 0 HA LEU A 32 4.542 1.558 -6.985 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.282 3.788 -5.149 1.00 0.00 H new ATOM 0 HB3 LEU A 32 5.086 4.401 -6.581 1.00 0.00 H new ATOM 0 HG LEU A 32 2.435 2.889 -6.483 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.557 4.992 -7.460 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.340 5.294 -5.890 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.189 5.700 -7.401 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.401 3.172 -8.947 1.00 0.00 H new ATOM 0 HD22 LEU A 32 4.033 3.879 -8.888 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.785 2.176 -8.438 1.00 0.00 H new ATOM 477 N ALA A 33 7.515 2.771 -6.436 1.00 0.00 N ATOM 478 CA ALA A 33 8.835 2.960 -7.105 1.00 0.00 C ATOM 479 C ALA A 33 9.377 1.613 -7.594 1.00 0.00 C ATOM 480 O ALA A 33 10.098 1.542 -8.570 1.00 0.00 O ATOM 481 CB ALA A 33 9.746 3.545 -6.025 1.00 0.00 C ATOM 0 H ALA A 33 7.512 2.929 -5.428 1.00 0.00 H new ATOM 0 HA ALA A 33 8.767 3.611 -7.977 1.00 0.00 H new ATOM 0 HB1 ALA A 33 10.740 3.714 -6.440 1.00 0.00 H new ATOM 0 HB2 ALA A 33 9.334 4.491 -5.675 1.00 0.00 H new ATOM 0 HB3 ALA A 33 9.815 2.848 -5.190 1.00 0.00 H new ATOM 487 N THR A 34 9.036 0.547 -6.925 1.00 0.00 N ATOM 488 CA THR A 34 9.532 -0.793 -7.354 1.00 0.00 C ATOM 489 C THR A 34 9.049 -1.108 -8.773 1.00 0.00 C ATOM 490 O THR A 34 9.542 -2.010 -9.420 1.00 0.00 O ATOM 491 CB THR A 34 8.930 -1.778 -6.351 1.00 0.00 C ATOM 492 OG1 THR A 34 9.334 -1.421 -5.037 1.00 0.00 O ATOM 493 CG2 THR A 34 9.415 -3.193 -6.669 1.00 0.00 C ATOM 0 H THR A 34 8.436 0.544 -6.100 1.00 0.00 H new ATOM 0 HA THR A 34 10.621 -0.844 -7.372 1.00 0.00 H new ATOM 0 HB THR A 34 7.843 -1.745 -6.418 1.00 0.00 H new ATOM 0 HG1 THR A 34 8.687 -0.792 -4.655 1.00 0.00 H new ATOM 0 HG21 THR A 34 8.985 -3.894 -5.954 1.00 0.00 H new ATOM 0 HG22 THR A 34 9.103 -3.466 -7.677 1.00 0.00 H new ATOM 0 HG23 THR A 34 10.502 -3.228 -6.603 1.00 0.00 H new ATOM 501 N VAL A 35 8.089 -0.370 -9.260 1.00 0.00 N ATOM 502 CA VAL A 35 7.577 -0.629 -10.637 1.00 0.00 C ATOM 503 C VAL A 35 8.734 -0.632 -11.640 1.00 0.00 C ATOM 504 O VAL A 35 8.926 -1.578 -12.378 1.00 0.00 O ATOM 505 CB VAL A 35 6.617 0.526 -10.926 1.00 0.00 C ATOM 506 CG1 VAL A 35 6.045 0.374 -12.337 1.00 0.00 C ATOM 507 CG2 VAL A 35 5.474 0.503 -9.908 1.00 0.00 C ATOM 0 H VAL A 35 7.638 0.400 -8.766 1.00 0.00 H new ATOM 0 HA VAL A 35 7.085 -1.598 -10.720 1.00 0.00 H new ATOM 0 HB VAL A 35 7.153 1.472 -10.852 1.00 0.00 H new ATOM 0 HG11 VAL A 35 5.361 1.197 -12.543 1.00 0.00 H new ATOM 0 HG12 VAL A 35 6.858 0.388 -13.063 1.00 0.00 H new ATOM 0 HG13 VAL A 35 5.508 -0.572 -12.412 1.00 0.00 H new ATOM 0 HG21 VAL A 35 4.788 1.325 -10.112 1.00 0.00 H new ATOM 0 HG22 VAL A 35 4.938 -0.443 -9.984 1.00 0.00 H new ATOM 0 HG23 VAL A 35 5.880 0.610 -8.902 1.00 0.00 H new ATOM 639 N SER A 44 13.866 6.964 -8.709 1.00 0.00 N ATOM 640 CA SER A 44 14.423 8.104 -7.922 1.00 0.00 C ATOM 641 C SER A 44 13.287 8.881 -7.253 1.00 0.00 C ATOM 642 O SER A 44 12.209 9.003 -7.799 1.00 0.00 O ATOM 643 CB SER A 44 15.150 8.982 -8.942 1.00 0.00 C ATOM 644 OG SER A 44 15.575 8.177 -10.034 1.00 0.00 O ATOM 0 HA SER A 44 15.093 7.771 -7.130 1.00 0.00 H new ATOM 0 HB2 SER A 44 14.489 9.774 -9.294 1.00 0.00 H new ATOM 0 HB3 SER A 44 16.008 9.466 -8.476 1.00 0.00 H new ATOM 0 HG SER A 44 14.862 7.548 -10.274 1.00 0.00 H new ATOM 650 N GLU A 45 13.523 9.395 -6.072 1.00 0.00 N ATOM 651 CA GLU A 45 12.463 10.162 -5.347 1.00 0.00 C ATOM 652 C GLU A 45 11.594 10.953 -6.328 1.00 0.00 C ATOM 653 O GLU A 45 10.382 10.917 -6.265 1.00 0.00 O ATOM 654 CB GLU A 45 13.226 11.111 -4.423 1.00 0.00 C ATOM 655 CG GLU A 45 14.277 11.876 -5.228 1.00 0.00 C ATOM 656 CD GLU A 45 15.302 12.493 -4.274 1.00 0.00 C ATOM 657 OE1 GLU A 45 15.672 11.827 -3.321 1.00 0.00 O ATOM 658 OE2 GLU A 45 15.699 13.622 -4.513 1.00 0.00 O ATOM 0 H GLU A 45 14.410 9.316 -5.575 1.00 0.00 H new ATOM 0 HA GLU A 45 11.789 9.504 -4.798 1.00 0.00 H new ATOM 0 HB2 GLU A 45 12.535 11.810 -3.952 1.00 0.00 H new ATOM 0 HB3 GLU A 45 13.705 10.548 -3.622 1.00 0.00 H new ATOM 0 HG2 GLU A 45 14.774 11.204 -5.928 1.00 0.00 H new ATOM 0 HG3 GLU A 45 13.800 12.657 -5.820 1.00 0.00 H new ATOM 665 N ALA A 46 12.201 11.660 -7.243 1.00 0.00 N ATOM 666 CA ALA A 46 11.396 12.439 -8.226 1.00 0.00 C ATOM 667 C ALA A 46 10.263 11.569 -8.771 1.00 0.00 C ATOM 668 O ALA A 46 9.113 11.962 -8.780 1.00 0.00 O ATOM 669 CB ALA A 46 12.378 12.805 -9.339 1.00 0.00 C ATOM 0 H ALA A 46 13.213 11.732 -7.352 1.00 0.00 H new ATOM 0 HA ALA A 46 10.938 13.324 -7.785 1.00 0.00 H new ATOM 0 HB1 ALA A 46 11.861 13.382 -10.105 1.00 0.00 H new ATOM 0 HB2 ALA A 46 13.192 13.399 -8.925 1.00 0.00 H new ATOM 0 HB3 ALA A 46 12.782 11.895 -9.782 1.00 0.00 H new ATOM 675 N GLU A 47 10.577 10.382 -9.217 1.00 0.00 N ATOM 676 CA GLU A 47 9.517 9.480 -9.752 1.00 0.00 C ATOM 677 C GLU A 47 8.802 8.780 -8.595 1.00 0.00 C ATOM 678 O GLU A 47 7.594 8.642 -8.588 1.00 0.00 O ATOM 679 CB GLU A 47 10.262 8.463 -10.616 1.00 0.00 C ATOM 680 CG GLU A 47 11.064 9.197 -11.693 1.00 0.00 C ATOM 681 CD GLU A 47 10.116 9.686 -12.790 1.00 0.00 C ATOM 682 OE1 GLU A 47 9.831 8.911 -13.689 1.00 0.00 O ATOM 683 OE2 GLU A 47 9.692 10.827 -12.713 1.00 0.00 O ATOM 0 H GLU A 47 11.522 9.998 -9.234 1.00 0.00 H new ATOM 0 HA GLU A 47 8.759 10.017 -10.322 1.00 0.00 H new ATOM 0 HB2 GLU A 47 10.929 7.863 -9.997 1.00 0.00 H new ATOM 0 HB3 GLU A 47 9.554 7.776 -11.080 1.00 0.00 H new ATOM 0 HG2 GLU A 47 11.595 10.041 -11.254 1.00 0.00 H new ATOM 0 HG3 GLU A 47 11.817 8.532 -12.117 1.00 0.00 H new ATOM 690 N VAL A 48 9.542 8.348 -7.611 1.00 0.00 N ATOM 691 CA VAL A 48 8.913 7.667 -6.443 1.00 0.00 C ATOM 692 C VAL A 48 7.873 8.590 -5.815 1.00 0.00 C ATOM 693 O VAL A 48 6.689 8.319 -5.825 1.00 0.00 O ATOM 694 CB VAL A 48 10.063 7.431 -5.463 1.00 0.00 C ATOM 695 CG1 VAL A 48 9.594 6.531 -4.322 1.00 0.00 C ATOM 696 CG2 VAL A 48 11.226 6.759 -6.190 1.00 0.00 C ATOM 0 H VAL A 48 10.557 8.437 -7.565 1.00 0.00 H new ATOM 0 HA VAL A 48 8.410 6.740 -6.718 1.00 0.00 H new ATOM 0 HB VAL A 48 10.389 8.389 -5.058 1.00 0.00 H new ATOM 0 HG11 VAL A 48 10.417 6.366 -3.627 1.00 0.00 H new ATOM 0 HG12 VAL A 48 8.767 7.009 -3.798 1.00 0.00 H new ATOM 0 HG13 VAL A 48 9.263 5.574 -4.726 1.00 0.00 H new ATOM 0 HG21 VAL A 48 12.045 6.592 -5.490 1.00 0.00 H new ATOM 0 HG22 VAL A 48 10.897 5.804 -6.598 1.00 0.00 H new ATOM 0 HG23 VAL A 48 11.568 7.402 -7.001 1.00 0.00 H new ATOM 706 N ASN A 49 8.320 9.686 -5.273 1.00 0.00 N ATOM 707 CA ASN A 49 7.385 10.653 -4.640 1.00 0.00 C ATOM 708 C ASN A 49 6.330 11.106 -5.658 1.00 0.00 C ATOM 709 O ASN A 49 5.154 11.167 -5.361 1.00 0.00 O ATOM 710 CB ASN A 49 8.291 11.814 -4.218 1.00 0.00 C ATOM 711 CG ASN A 49 7.496 13.123 -4.173 1.00 0.00 C ATOM 712 OD1 ASN A 49 7.269 13.745 -5.192 1.00 0.00 O ATOM 713 ND2 ASN A 49 7.062 13.570 -3.026 1.00 0.00 N ATOM 0 H ASN A 49 9.303 9.955 -5.241 1.00 0.00 H new ATOM 0 HA ASN A 49 6.833 10.236 -3.797 1.00 0.00 H new ATOM 0 HB2 ASN A 49 8.722 11.609 -3.238 1.00 0.00 H new ATOM 0 HB3 ASN A 49 9.121 11.909 -4.918 1.00 0.00 H new ATOM 0 HD21 ASN A 49 6.533 14.441 -2.985 1.00 0.00 H new ATOM 0 HD22 ASN A 49 7.252 13.048 -2.170 1.00 0.00 H new ATOM 720 N ASP A 50 6.743 11.423 -6.855 1.00 0.00 N ATOM 721 CA ASP A 50 5.761 11.871 -7.886 1.00 0.00 C ATOM 722 C ASP A 50 4.665 10.818 -8.063 1.00 0.00 C ATOM 723 O ASP A 50 3.511 11.054 -7.762 1.00 0.00 O ATOM 724 CB ASP A 50 6.575 12.020 -9.172 1.00 0.00 C ATOM 725 CG ASP A 50 5.625 12.173 -10.361 1.00 0.00 C ATOM 726 OD1 ASP A 50 5.201 11.158 -10.890 1.00 0.00 O ATOM 727 OD2 ASP A 50 5.338 13.302 -10.724 1.00 0.00 O ATOM 0 H ASP A 50 7.715 11.392 -7.164 1.00 0.00 H new ATOM 0 HA ASP A 50 5.266 12.802 -7.608 1.00 0.00 H new ATOM 0 HB2 ASP A 50 7.230 12.888 -9.102 1.00 0.00 H new ATOM 0 HB3 ASP A 50 7.215 11.149 -9.313 1.00 0.00 H new ATOM 732 N LEU A 51 5.013 9.660 -8.550 1.00 0.00 N ATOM 733 CA LEU A 51 3.986 8.595 -8.745 1.00 0.00 C ATOM 734 C LEU A 51 3.065 8.521 -7.525 1.00 0.00 C ATOM 735 O LEU A 51 1.858 8.596 -7.640 1.00 0.00 O ATOM 736 CB LEU A 51 4.784 7.299 -8.895 1.00 0.00 C ATOM 737 CG LEU A 51 4.665 6.791 -10.333 1.00 0.00 C ATOM 738 CD1 LEU A 51 3.205 6.449 -10.636 1.00 0.00 C ATOM 739 CD2 LEU A 51 5.145 7.877 -11.298 1.00 0.00 C ATOM 0 H LEU A 51 5.962 9.404 -8.822 1.00 0.00 H new ATOM 0 HA LEU A 51 3.351 8.785 -9.611 1.00 0.00 H new ATOM 0 HB2 LEU A 51 5.831 7.473 -8.645 1.00 0.00 H new ATOM 0 HB3 LEU A 51 4.411 6.547 -8.200 1.00 0.00 H new ATOM 0 HG LEU A 51 5.279 5.899 -10.454 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.121 6.087 -11.661 1.00 0.00 H new ATOM 0 HD12 LEU A 51 2.862 5.675 -9.949 1.00 0.00 H new ATOM 0 HD13 LEU A 51 2.590 7.341 -10.515 1.00 0.00 H new ATOM 0 HD21 LEU A 51 5.061 7.516 -12.323 1.00 0.00 H new ATOM 0 HD22 LEU A 51 4.531 8.769 -11.176 1.00 0.00 H new ATOM 0 HD23 LEU A 51 6.186 8.120 -11.083 1.00 0.00 H new ATOM 751 N MET A 52 3.626 8.374 -6.356 1.00 0.00 N ATOM 752 CA MET A 52 2.782 8.295 -5.129 1.00 0.00 C ATOM 753 C MET A 52 2.009 9.603 -4.933 1.00 0.00 C ATOM 754 O MET A 52 0.832 9.599 -4.629 1.00 0.00 O ATOM 755 CB MET A 52 3.769 8.078 -3.982 1.00 0.00 C ATOM 756 CG MET A 52 3.040 8.223 -2.645 1.00 0.00 C ATOM 757 SD MET A 52 3.059 9.959 -2.133 1.00 0.00 S ATOM 758 CE MET A 52 4.817 10.056 -1.722 1.00 0.00 C ATOM 0 H MET A 52 4.631 8.305 -6.197 1.00 0.00 H new ATOM 0 HA MET A 52 2.043 7.496 -5.187 1.00 0.00 H new ATOM 0 HB2 MET A 52 4.218 7.088 -4.058 1.00 0.00 H new ATOM 0 HB3 MET A 52 4.581 8.802 -4.046 1.00 0.00 H new ATOM 0 HG2 MET A 52 2.012 7.872 -2.739 1.00 0.00 H new ATOM 0 HG3 MET A 52 3.521 7.604 -1.887 1.00 0.00 H new ATOM 0 HE1 MET A 52 4.953 10.707 -0.859 1.00 0.00 H new ATOM 0 HE2 MET A 52 5.191 9.060 -1.487 1.00 0.00 H new ATOM 0 HE3 MET A 52 5.368 10.460 -2.572 1.00 0.00 H new ATOM 768 N ASN A 53 2.660 10.721 -5.102 1.00 0.00 N ATOM 769 CA ASN A 53 1.962 12.027 -4.923 1.00 0.00 C ATOM 770 C ASN A 53 0.943 12.244 -6.046 1.00 0.00 C ATOM 771 O ASN A 53 -0.140 12.746 -5.824 1.00 0.00 O ATOM 772 CB ASN A 53 3.068 13.081 -4.991 1.00 0.00 C ATOM 773 CG ASN A 53 2.620 14.339 -4.245 1.00 0.00 C ATOM 774 OD1 ASN A 53 3.438 15.124 -3.808 1.00 0.00 O ATOM 775 ND2 ASN A 53 1.345 14.567 -4.081 1.00 0.00 N ATOM 0 H ASN A 53 3.646 10.787 -5.356 1.00 0.00 H new ATOM 0 HA ASN A 53 1.411 12.074 -3.983 1.00 0.00 H new ATOM 0 HB2 ASN A 53 3.985 12.691 -4.549 1.00 0.00 H new ATOM 0 HB3 ASN A 53 3.292 13.322 -6.030 1.00 0.00 H new ATOM 0 HD21 ASN A 53 1.036 15.404 -3.586 1.00 0.00 H new ATOM 0 HD22 ASN A 53 0.658 13.908 -4.448 1.00 0.00 H new ATOM 782 N GLU A 54 1.282 11.870 -7.249 1.00 0.00 N ATOM 783 CA GLU A 54 0.331 12.058 -8.383 1.00 0.00 C ATOM 784 C GLU A 54 -1.020 11.421 -8.050 1.00 0.00 C ATOM 785 O GLU A 54 -2.028 11.732 -8.651 1.00 0.00 O ATOM 786 CB GLU A 54 0.983 11.345 -9.568 1.00 0.00 C ATOM 787 CG GLU A 54 1.925 12.311 -10.292 1.00 0.00 C ATOM 788 CD GLU A 54 1.108 13.244 -11.188 1.00 0.00 C ATOM 789 OE1 GLU A 54 0.024 12.853 -11.585 1.00 0.00 O ATOM 790 OE2 GLU A 54 1.583 14.335 -11.461 1.00 0.00 O ATOM 0 H GLU A 54 2.175 11.443 -7.496 1.00 0.00 H new ATOM 0 HA GLU A 54 0.142 13.110 -8.594 1.00 0.00 H new ATOM 0 HB2 GLU A 54 1.537 10.473 -9.221 1.00 0.00 H new ATOM 0 HB3 GLU A 54 0.217 10.984 -10.255 1.00 0.00 H new ATOM 0 HG2 GLU A 54 2.495 12.892 -9.567 1.00 0.00 H new ATOM 0 HG3 GLU A 54 2.646 11.753 -10.890 1.00 0.00 H new ATOM 797 N ILE A 55 -1.048 10.532 -7.095 1.00 0.00 N ATOM 798 CA ILE A 55 -2.334 9.876 -6.723 1.00 0.00 C ATOM 799 C ILE A 55 -2.619 10.076 -5.232 1.00 0.00 C ATOM 800 O ILE A 55 -3.699 9.795 -4.753 1.00 0.00 O ATOM 801 CB ILE A 55 -2.128 8.394 -7.036 1.00 0.00 C ATOM 802 CG1 ILE A 55 -1.911 8.217 -8.541 1.00 0.00 C ATOM 803 CG2 ILE A 55 -3.363 7.603 -6.603 1.00 0.00 C ATOM 804 CD1 ILE A 55 -0.742 7.261 -8.781 1.00 0.00 C ATOM 0 H ILE A 55 -0.236 10.231 -6.556 1.00 0.00 H new ATOM 0 HA ILE A 55 -3.182 10.293 -7.266 1.00 0.00 H new ATOM 0 HB ILE A 55 -1.255 8.027 -6.496 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -2.816 7.825 -9.006 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -1.706 9.182 -9.005 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -3.215 6.546 -6.827 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -3.518 7.729 -5.532 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -4.237 7.969 -7.142 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -0.589 7.136 -9.853 1.00 0.00 H new ATOM 0 HD12 ILE A 55 0.162 7.671 -8.330 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -0.965 6.294 -8.331 1.00 0.00 H new ATOM 816 N ASP A 56 -1.657 10.562 -4.495 1.00 0.00 N ATOM 817 CA ASP A 56 -1.873 10.780 -3.035 1.00 0.00 C ATOM 818 C ASP A 56 -3.001 11.791 -2.812 1.00 0.00 C ATOM 819 O ASP A 56 -2.762 12.945 -2.513 1.00 0.00 O ATOM 820 CB ASP A 56 -0.546 11.334 -2.516 1.00 0.00 C ATOM 821 CG ASP A 56 -0.367 10.941 -1.049 1.00 0.00 C ATOM 822 OD1 ASP A 56 -1.333 10.494 -0.454 1.00 0.00 O ATOM 823 OD2 ASP A 56 0.733 11.095 -0.545 1.00 0.00 O ATOM 0 H ASP A 56 -0.732 10.817 -4.840 1.00 0.00 H new ATOM 0 HA ASP A 56 -2.161 9.864 -2.519 1.00 0.00 H new ATOM 0 HB2 ASP A 56 0.280 10.945 -3.111 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -0.528 12.419 -2.617 1.00 0.00 H new ATOM 828 N VAL A 57 -4.226 11.367 -2.955 1.00 0.00 N ATOM 829 CA VAL A 57 -5.367 12.305 -2.751 1.00 0.00 C ATOM 830 C VAL A 57 -5.326 12.888 -1.336 1.00 0.00 C ATOM 831 O VAL A 57 -5.684 14.029 -1.114 1.00 0.00 O ATOM 832 CB VAL A 57 -6.620 11.449 -2.941 1.00 0.00 C ATOM 833 CG1 VAL A 57 -6.676 10.937 -4.382 1.00 0.00 C ATOM 834 CG2 VAL A 57 -6.574 10.260 -1.981 1.00 0.00 C ATOM 0 H VAL A 57 -4.487 10.413 -3.204 1.00 0.00 H new ATOM 0 HA VAL A 57 -5.339 13.147 -3.442 1.00 0.00 H new ATOM 0 HB VAL A 57 -7.505 12.051 -2.735 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -7.569 10.327 -4.517 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -6.708 11.784 -5.068 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -5.791 10.335 -4.589 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -7.467 9.649 -2.115 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -5.688 9.659 -2.188 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -6.534 10.623 -0.954 1.00 0.00 H new ATOM 844 N ASP A 58 -4.894 12.115 -0.378 1.00 0.00 N ATOM 845 CA ASP A 58 -4.831 12.626 1.022 1.00 0.00 C ATOM 846 C ASP A 58 -3.449 13.220 1.309 1.00 0.00 C ATOM 847 O ASP A 58 -3.313 14.163 2.063 1.00 0.00 O ATOM 848 CB ASP A 58 -5.082 11.401 1.901 1.00 0.00 C ATOM 849 CG ASP A 58 -6.266 10.608 1.347 1.00 0.00 C ATOM 850 OD1 ASP A 58 -7.390 11.034 1.557 1.00 0.00 O ATOM 851 OD2 ASP A 58 -6.029 9.587 0.722 1.00 0.00 O ATOM 0 H ASP A 58 -4.582 11.152 -0.503 1.00 0.00 H new ATOM 0 HA ASP A 58 -5.559 13.416 1.206 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -4.192 10.773 1.930 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.286 11.711 2.926 1.00 0.00 H new ATOM 856 N GLY A 59 -2.423 12.675 0.716 1.00 0.00 N ATOM 857 CA GLY A 59 -1.053 13.210 0.957 1.00 0.00 C ATOM 858 C GLY A 59 -0.434 12.505 2.166 1.00 0.00 C ATOM 859 O GLY A 59 -0.026 13.134 3.122 1.00 0.00 O ATOM 0 H GLY A 59 -2.474 11.883 0.075 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -0.431 13.056 0.075 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -1.097 14.285 1.133 1.00 0.00 H new ATOM 863 N ASN A 60 -0.361 11.202 2.131 1.00 0.00 N ATOM 864 CA ASN A 60 0.233 10.457 3.279 1.00 0.00 C ATOM 865 C ASN A 60 1.461 9.669 2.818 1.00 0.00 C ATOM 866 O ASN A 60 1.706 8.566 3.266 1.00 0.00 O ATOM 867 CB ASN A 60 -0.870 9.508 3.748 1.00 0.00 C ATOM 868 CG ASN A 60 -1.376 8.685 2.561 1.00 0.00 C ATOM 869 OD1 ASN A 60 -1.612 9.216 1.495 1.00 0.00 O ATOM 870 ND2 ASN A 60 -1.552 7.399 2.703 1.00 0.00 N ATOM 0 H ASN A 60 -0.686 10.621 1.358 1.00 0.00 H new ATOM 0 HA ASN A 60 0.564 11.122 4.077 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -0.489 8.847 4.526 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -1.691 10.076 4.186 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -1.888 6.840 1.918 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -1.354 6.953 3.599 1.00 0.00 H new ATOM 877 N HIS A 61 2.233 10.225 1.926 1.00 0.00 N ATOM 878 CA HIS A 61 3.447 9.509 1.434 1.00 0.00 C ATOM 879 C HIS A 61 3.047 8.210 0.730 1.00 0.00 C ATOM 880 O HIS A 61 3.876 7.374 0.431 1.00 0.00 O ATOM 881 CB HIS A 61 4.269 9.210 2.689 1.00 0.00 C ATOM 882 CG HIS A 61 4.341 10.444 3.547 1.00 0.00 C ATOM 883 ND1 HIS A 61 3.971 11.693 3.074 1.00 0.00 N ATOM 884 CD2 HIS A 61 4.736 10.635 4.847 1.00 0.00 C ATOM 885 CE1 HIS A 61 4.149 12.573 4.077 1.00 0.00 C ATOM 886 NE2 HIS A 61 4.615 11.981 5.180 1.00 0.00 N ATOM 0 H HIS A 61 2.077 11.145 1.515 1.00 0.00 H new ATOM 0 HA HIS A 61 4.010 10.100 0.711 1.00 0.00 H new ATOM 0 HB2 HIS A 61 3.815 8.392 3.248 1.00 0.00 H new ATOM 0 HB3 HIS A 61 5.273 8.888 2.411 1.00 0.00 H new ATOM 0 HD2 HIS A 61 5.087 9.859 5.511 1.00 0.00 H new ATOM 0 HE1 HIS A 61 3.940 13.630 3.999 1.00 0.00 H new ATOM 0 HE2 HIS A 61 4.835 12.421 6.074 1.00 0.00 H new ATOM 894 N GLN A 62 1.782 8.035 0.459 1.00 0.00 N ATOM 895 CA GLN A 62 1.330 6.792 -0.229 1.00 0.00 C ATOM 896 C GLN A 62 -0.134 6.925 -0.652 1.00 0.00 C ATOM 897 O GLN A 62 -0.846 7.796 -0.195 1.00 0.00 O ATOM 898 CB GLN A 62 1.487 5.675 0.804 1.00 0.00 C ATOM 899 CG GLN A 62 0.996 6.161 2.171 1.00 0.00 C ATOM 900 CD GLN A 62 -0.050 5.185 2.713 1.00 0.00 C ATOM 901 OE1 GLN A 62 -0.938 4.768 1.997 1.00 0.00 O ATOM 902 NE2 GLN A 62 0.018 4.800 3.958 1.00 0.00 N ATOM 0 H GLN A 62 1.042 8.699 0.684 1.00 0.00 H new ATOM 0 HA GLN A 62 1.908 6.592 -1.131 1.00 0.00 H new ATOM 0 HB2 GLN A 62 0.919 4.798 0.494 1.00 0.00 H new ATOM 0 HB3 GLN A 62 2.532 5.372 0.869 1.00 0.00 H new ATOM 0 HG2 GLN A 62 1.833 6.236 2.865 1.00 0.00 H new ATOM 0 HG3 GLN A 62 0.566 7.159 2.081 1.00 0.00 H new ATOM 0 HE21 GLN A 62 0.763 5.150 4.560 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -0.674 4.149 4.329 1.00 0.00 H new ATOM 911 N ILE A 63 -0.586 6.067 -1.522 1.00 0.00 N ATOM 912 CA ILE A 63 -2.000 6.142 -1.977 1.00 0.00 C ATOM 913 C ILE A 63 -2.667 4.768 -1.867 1.00 0.00 C ATOM 914 O ILE A 63 -2.017 3.744 -1.937 1.00 0.00 O ATOM 915 CB ILE A 63 -1.915 6.581 -3.437 1.00 0.00 C ATOM 916 CG1 ILE A 63 -1.409 5.417 -4.293 1.00 0.00 C ATOM 917 CG2 ILE A 63 -0.951 7.761 -3.563 1.00 0.00 C ATOM 918 CD1 ILE A 63 -2.584 4.510 -4.662 1.00 0.00 C ATOM 0 H ILE A 63 -0.036 5.316 -1.938 1.00 0.00 H new ATOM 0 HA ILE A 63 -2.594 6.829 -1.375 1.00 0.00 H new ATOM 0 HB ILE A 63 -2.904 6.883 -3.781 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -0.930 5.796 -5.196 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -0.655 4.850 -3.747 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.892 8.073 -4.606 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -1.311 8.592 -2.956 1.00 0.00 H new ATOM 0 HG23 ILE A 63 0.038 7.461 -3.217 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -2.226 3.680 -5.272 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -3.043 4.121 -3.753 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -3.322 5.082 -5.225 1.00 0.00 H new ATOM 930 N GLU A 64 -3.961 4.740 -1.705 1.00 0.00 N ATOM 931 CA GLU A 64 -4.671 3.434 -1.599 1.00 0.00 C ATOM 932 C GLU A 64 -5.179 3.010 -2.979 1.00 0.00 C ATOM 933 O GLU A 64 -4.910 3.655 -3.972 1.00 0.00 O ATOM 934 CB GLU A 64 -5.841 3.691 -0.650 1.00 0.00 C ATOM 935 CG GLU A 64 -5.308 3.959 0.758 1.00 0.00 C ATOM 936 CD GLU A 64 -6.292 4.850 1.517 1.00 0.00 C ATOM 937 OE1 GLU A 64 -6.570 5.936 1.034 1.00 0.00 O ATOM 938 OE2 GLU A 64 -6.752 4.433 2.567 1.00 0.00 O ATOM 0 H GLU A 64 -4.558 5.565 -1.641 1.00 0.00 H new ATOM 0 HA GLU A 64 -4.025 2.636 -1.233 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -6.424 4.544 -0.998 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -6.510 2.830 -0.639 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -5.168 3.018 1.290 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -4.332 4.442 0.703 1.00 0.00 H new ATOM 945 N PHE A 65 -5.911 1.932 -3.054 1.00 0.00 N ATOM 946 CA PHE A 65 -6.426 1.484 -4.379 1.00 0.00 C ATOM 947 C PHE A 65 -7.334 2.558 -4.986 1.00 0.00 C ATOM 948 O PHE A 65 -6.983 3.197 -5.955 1.00 0.00 O ATOM 949 CB PHE A 65 -7.221 0.212 -4.100 1.00 0.00 C ATOM 950 CG PHE A 65 -8.013 -0.140 -5.334 1.00 0.00 C ATOM 951 CD1 PHE A 65 -7.345 -0.444 -6.525 1.00 0.00 C ATOM 952 CD2 PHE A 65 -9.411 -0.144 -5.292 1.00 0.00 C ATOM 953 CE1 PHE A 65 -8.074 -0.756 -7.675 1.00 0.00 C ATOM 954 CE2 PHE A 65 -10.141 -0.455 -6.444 1.00 0.00 C ATOM 955 CZ PHE A 65 -9.473 -0.760 -7.635 1.00 0.00 C ATOM 0 H PHE A 65 -6.173 1.346 -2.261 1.00 0.00 H new ATOM 0 HA PHE A 65 -5.618 1.307 -5.089 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -6.549 -0.604 -3.836 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -7.889 0.362 -3.252 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -6.265 -0.437 -6.555 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -9.926 0.092 -4.372 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -7.559 -0.994 -8.594 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -11.221 -0.460 -6.414 1.00 0.00 H new ATOM 0 HZ PHE A 65 -10.037 -0.999 -8.524 1.00 0.00 H new ATOM 965 N SER A 66 -8.501 2.747 -4.422 1.00 0.00 N ATOM 966 CA SER A 66 -9.448 3.775 -4.956 1.00 0.00 C ATOM 967 C SER A 66 -8.684 4.989 -5.493 1.00 0.00 C ATOM 968 O SER A 66 -8.987 5.503 -6.552 1.00 0.00 O ATOM 969 CB SER A 66 -10.311 4.173 -3.760 1.00 0.00 C ATOM 970 OG SER A 66 -10.560 3.026 -2.958 1.00 0.00 O ATOM 0 H SER A 66 -8.840 2.231 -3.610 1.00 0.00 H new ATOM 0 HA SER A 66 -10.043 3.391 -5.784 1.00 0.00 H new ATOM 0 HB2 SER A 66 -9.806 4.940 -3.172 1.00 0.00 H new ATOM 0 HB3 SER A 66 -11.252 4.602 -4.103 1.00 0.00 H new ATOM 0 HG SER A 66 -11.112 3.278 -2.189 1.00 0.00 H new ATOM 976 N GLU A 67 -7.688 5.444 -4.783 1.00 0.00 N ATOM 977 CA GLU A 67 -6.906 6.614 -5.272 1.00 0.00 C ATOM 978 C GLU A 67 -6.260 6.264 -6.614 1.00 0.00 C ATOM 979 O GLU A 67 -6.299 7.032 -7.554 1.00 0.00 O ATOM 980 CB GLU A 67 -5.840 6.857 -4.203 1.00 0.00 C ATOM 981 CG GLU A 67 -6.514 7.013 -2.839 1.00 0.00 C ATOM 982 CD GLU A 67 -5.534 7.652 -1.853 1.00 0.00 C ATOM 983 OE1 GLU A 67 -4.535 8.185 -2.305 1.00 0.00 O ATOM 984 OE2 GLU A 67 -5.799 7.596 -0.664 1.00 0.00 O ATOM 0 H GLU A 67 -7.383 5.058 -3.889 1.00 0.00 H new ATOM 0 HA GLU A 67 -7.522 7.500 -5.428 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -5.136 6.025 -4.180 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -5.267 7.753 -4.442 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -7.407 7.631 -2.932 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -6.837 6.040 -2.468 1.00 0.00 H new ATOM 991 N PHE A 68 -5.682 5.097 -6.711 1.00 0.00 N ATOM 992 CA PHE A 68 -5.050 4.681 -7.994 1.00 0.00 C ATOM 993 C PHE A 68 -6.092 4.741 -9.115 1.00 0.00 C ATOM 994 O PHE A 68 -5.773 4.983 -10.262 1.00 0.00 O ATOM 995 CB PHE A 68 -4.581 3.241 -7.743 1.00 0.00 C ATOM 996 CG PHE A 68 -4.476 2.488 -9.051 1.00 0.00 C ATOM 997 CD1 PHE A 68 -3.760 3.036 -10.121 1.00 0.00 C ATOM 998 CD2 PHE A 68 -5.095 1.240 -9.188 1.00 0.00 C ATOM 999 CE1 PHE A 68 -3.662 2.334 -11.330 1.00 0.00 C ATOM 1000 CE2 PHE A 68 -4.996 0.539 -10.395 1.00 0.00 C ATOM 1001 CZ PHE A 68 -4.281 1.085 -11.466 1.00 0.00 C ATOM 0 H PHE A 68 -5.621 4.414 -5.956 1.00 0.00 H new ATOM 0 HA PHE A 68 -4.223 5.323 -8.297 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -3.613 3.249 -7.241 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -5.281 2.734 -7.079 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -3.283 3.999 -10.015 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -5.649 0.818 -8.362 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -3.109 2.756 -12.156 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -5.472 -0.425 -10.500 1.00 0.00 H new ATOM 0 HZ PHE A 68 -4.206 0.544 -12.398 1.00 0.00 H new ATOM 1011 N LEU A 69 -7.337 4.530 -8.785 1.00 0.00 N ATOM 1012 CA LEU A 69 -8.406 4.581 -9.821 1.00 0.00 C ATOM 1013 C LEU A 69 -8.701 6.037 -10.191 1.00 0.00 C ATOM 1014 O LEU A 69 -9.087 6.341 -11.301 1.00 0.00 O ATOM 1015 CB LEU A 69 -9.628 3.938 -9.163 1.00 0.00 C ATOM 1016 CG LEU A 69 -9.606 2.429 -9.405 1.00 0.00 C ATOM 1017 CD1 LEU A 69 -9.897 2.143 -10.878 1.00 0.00 C ATOM 1018 CD2 LEU A 69 -8.227 1.873 -9.042 1.00 0.00 C ATOM 0 H LEU A 69 -7.660 4.324 -7.840 1.00 0.00 H new ATOM 0 HA LEU A 69 -8.122 4.066 -10.739 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -9.628 4.145 -8.093 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -10.542 4.369 -9.571 1.00 0.00 H new ATOM 0 HG LEU A 69 -10.365 1.952 -8.785 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -9.881 1.067 -11.050 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -10.879 2.537 -11.138 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -9.138 2.621 -11.498 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -8.212 0.797 -9.215 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -7.468 2.351 -9.661 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -8.018 2.075 -7.991 1.00 0.00 H new ATOM 1030 N ALA A 70 -8.519 6.937 -9.264 1.00 0.00 N ATOM 1031 CA ALA A 70 -8.784 8.374 -9.555 1.00 0.00 C ATOM 1032 C ALA A 70 -7.770 8.902 -10.574 1.00 0.00 C ATOM 1033 O ALA A 70 -8.121 9.584 -11.517 1.00 0.00 O ATOM 1034 CB ALA A 70 -8.614 9.085 -8.211 1.00 0.00 C ATOM 0 H ALA A 70 -8.198 6.739 -8.316 1.00 0.00 H new ATOM 0 HA ALA A 70 -9.775 8.535 -9.980 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -8.793 10.153 -8.339 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -9.327 8.681 -7.493 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -7.600 8.929 -7.842 1.00 0.00 H new ATOM 1040 N LEU A 71 -6.516 8.591 -10.393 1.00 0.00 N ATOM 1041 CA LEU A 71 -5.481 9.073 -11.351 1.00 0.00 C ATOM 1042 C LEU A 71 -5.382 8.120 -12.545 1.00 0.00 C ATOM 1043 O LEU A 71 -5.117 8.528 -13.658 1.00 0.00 O ATOM 1044 CB LEU A 71 -4.175 9.076 -10.557 1.00 0.00 C ATOM 1045 CG LEU A 71 -3.406 10.367 -10.843 1.00 0.00 C ATOM 1046 CD1 LEU A 71 -3.003 10.407 -12.317 1.00 0.00 C ATOM 1047 CD2 LEU A 71 -4.298 11.571 -10.526 1.00 0.00 C ATOM 0 H LEU A 71 -6.163 8.023 -9.622 1.00 0.00 H new ATOM 0 HA LEU A 71 -5.716 10.060 -11.751 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -4.385 8.994 -9.491 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -3.569 8.212 -10.830 1.00 0.00 H new ATOM 0 HG LEU A 71 -2.511 10.402 -10.222 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -2.455 11.327 -12.520 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -2.369 9.550 -12.544 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -3.897 10.372 -12.940 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -3.752 12.492 -10.729 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -5.192 11.535 -11.148 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -4.586 11.544 -9.475 1.00 0.00 H new ATOM 1059 N MET A 72 -5.593 6.851 -12.322 1.00 0.00 N ATOM 1060 CA MET A 72 -5.510 5.873 -13.444 1.00 0.00 C ATOM 1061 C MET A 72 -6.632 6.128 -14.453 1.00 0.00 C ATOM 1062 O MET A 72 -6.464 6.855 -15.413 1.00 0.00 O ATOM 1063 CB MET A 72 -5.680 4.502 -12.788 1.00 0.00 C ATOM 1064 CG MET A 72 -5.762 3.424 -13.871 1.00 0.00 C ATOM 1065 SD MET A 72 -4.369 3.607 -15.011 1.00 0.00 S ATOM 1066 CE MET A 72 -3.755 1.908 -14.893 1.00 0.00 C ATOM 0 H MET A 72 -5.819 6.450 -11.412 1.00 0.00 H new ATOM 0 HA MET A 72 -4.570 5.950 -13.990 1.00 0.00 H new ATOM 0 HB2 MET A 72 -4.842 4.300 -12.121 1.00 0.00 H new ATOM 0 HB3 MET A 72 -6.583 4.489 -12.178 1.00 0.00 H new ATOM 0 HG2 MET A 72 -5.745 2.434 -13.416 1.00 0.00 H new ATOM 0 HG3 MET A 72 -6.703 3.509 -14.414 1.00 0.00 H new ATOM 0 HE1 MET A 72 -2.713 1.919 -14.572 1.00 0.00 H new ATOM 0 HE2 MET A 72 -4.352 1.355 -14.168 1.00 0.00 H new ATOM 0 HE3 MET A 72 -3.829 1.426 -15.868 1.00 0.00 H new