USER MOD reduce.3.24.130724 H: found=0, std=0, add=626, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 625 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 62 GLN : amide:sc= 0 X(o=-0.36,f=-0.54) USER MOD Set 1.2: A 65 SER OG : rot -160:sc= -0.359 USER MOD Set 2.1: A 22 THR OG1 : rot 180:sc= 0.129 USER MOD Set 2.2: A 25 ASN : amide:sc= 0 X(o=0.13,f=-0.28) USER MOD Set 3.1: A 7 THR OG1 : rot -140:sc= 1.18 USER MOD Set 3.2: A 9 THR OG1 : rot -38:sc= 1.19 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -108:sc= 0.55 (180deg=-2.86!) USER MOD Single : A 2 GLN : amide:sc= -0.111 K(o=-0.11,f=-1.6!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.0761 USER MOD Single : A 14 THR OG1 : rot -84:sc= 1.23 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -118:sc= -1.58! (180deg=-2.39!) USER MOD Single : A 29 LYS NZ :NH3+ -152:sc= -0.205 (180deg=-1.24!) USER MOD Single : A 31 GLN : amide:sc= -1.57 K(o=-1.6,f=-8.2!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -1.13 X(o=-1.1,f=-0.72) USER MOD Single : A 41 GLN : amide:sc= 0.194 K(o=0.19,f=-2!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -5.83! K(o=-5.8!,f=-0.8) USER MOD Single : A 55 THR OG1 : rot -84:sc= 0.393 USER MOD Single : A 57 SER OG : rot 180:sc= -0.499 USER MOD Single : A 59 TYR OH : rot 165:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -2.31! C(o=-2.3!,f=-4.6!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -1.19 K(o=-1.2,f=-3!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 73.619 -15.162 6.657 1.00 0.00 N ATOM 2 CA MET A 1 75.037 -15.598 6.800 1.00 0.00 C ATOM 3 C MET A 1 75.764 -15.394 5.476 1.00 0.00 C ATOM 4 O MET A 1 75.803 -16.287 4.633 1.00 0.00 O ATOM 5 CB MET A 1 75.075 -17.074 7.190 1.00 0.00 C ATOM 6 CG MET A 1 76.454 -17.419 7.760 1.00 0.00 C ATOM 7 SD MET A 1 76.969 -19.043 7.151 1.00 0.00 S ATOM 8 CE MET A 1 76.027 -20.037 8.334 1.00 0.00 C ATOM 0 H1 MET A 1 73.475 -14.273 7.176 1.00 0.00 H new ATOM 0 H2 MET A 1 73.401 -15.014 5.651 1.00 0.00 H new ATOM 0 H3 MET A 1 72.990 -15.894 7.044 1.00 0.00 H new ATOM 0 HA MET A 1 75.528 -15.008 7.574 1.00 0.00 H new ATOM 0 HB2 MET A 1 74.302 -17.286 7.929 1.00 0.00 H new ATOM 0 HB3 MET A 1 74.864 -17.696 6.320 1.00 0.00 H new ATOM 0 HG2 MET A 1 77.181 -16.661 7.466 1.00 0.00 H new ATOM 0 HG3 MET A 1 76.419 -17.422 8.849 1.00 0.00 H new ATOM 0 HE1 MET A 1 76.200 -21.095 8.139 1.00 0.00 H new ATOM 0 HE2 MET A 1 76.349 -19.798 9.348 1.00 0.00 H new ATOM 0 HE3 MET A 1 74.965 -19.817 8.229 1.00 0.00 H new ATOM 20 N GLN A 2 76.334 -14.209 5.303 1.00 0.00 N ATOM 21 CA GLN A 2 77.057 -13.885 4.077 1.00 0.00 C ATOM 22 C GLN A 2 76.102 -13.872 2.890 1.00 0.00 C ATOM 23 O GLN A 2 76.005 -14.851 2.156 1.00 0.00 O ATOM 24 CB GLN A 2 78.169 -14.909 3.836 1.00 0.00 C ATOM 25 CG GLN A 2 79.198 -14.329 2.864 1.00 0.00 C ATOM 26 CD GLN A 2 80.065 -15.447 2.298 1.00 0.00 C ATOM 27 OE1 GLN A 2 79.593 -16.572 2.124 1.00 0.00 O ATOM 28 NE2 GLN A 2 81.313 -15.208 1.999 1.00 0.00 N ATOM 0 H GLN A 2 76.311 -13.458 5.992 1.00 0.00 H new ATOM 0 HA GLN A 2 77.501 -12.895 4.185 1.00 0.00 H new ATOM 0 HB2 GLN A 2 78.650 -15.167 4.779 1.00 0.00 H new ATOM 0 HB3 GLN A 2 77.748 -15.829 3.430 1.00 0.00 H new ATOM 0 HG2 GLN A 2 78.691 -13.805 2.054 1.00 0.00 H new ATOM 0 HG3 GLN A 2 79.822 -13.597 3.376 1.00 0.00 H new ATOM 0 HE21 GLN A 2 81.703 -14.276 2.143 1.00 0.00 H new ATOM 0 HE22 GLN A 2 81.898 -15.953 1.621 1.00 0.00 H new ATOM 37 N ILE A 3 75.411 -12.748 2.705 1.00 0.00 N ATOM 38 CA ILE A 3 74.452 -12.606 1.610 1.00 0.00 C ATOM 39 C ILE A 3 75.020 -11.666 0.550 1.00 0.00 C ATOM 40 O ILE A 3 76.073 -11.064 0.757 1.00 0.00 O ATOM 41 CB ILE A 3 73.139 -12.015 2.142 1.00 0.00 C ATOM 42 CG1 ILE A 3 73.421 -10.744 2.949 1.00 0.00 C ATOM 43 CG2 ILE A 3 72.440 -13.027 3.047 1.00 0.00 C ATOM 44 CD1 ILE A 3 72.272 -9.755 2.748 1.00 0.00 C ATOM 0 H ILE A 3 75.497 -11.923 3.299 1.00 0.00 H new ATOM 0 HA ILE A 3 74.265 -13.588 1.175 1.00 0.00 H new ATOM 0 HB ILE A 3 72.500 -11.775 1.292 1.00 0.00 H new ATOM 0 HG12 ILE A 3 73.527 -10.986 4.006 1.00 0.00 H new ATOM 0 HG13 ILE A 3 74.362 -10.297 2.628 1.00 0.00 H new ATOM 0 HG21 ILE A 3 71.509 -12.600 3.420 1.00 0.00 H new ATOM 0 HG22 ILE A 3 72.222 -13.932 2.480 1.00 0.00 H new ATOM 0 HG23 ILE A 3 73.089 -13.273 3.888 1.00 0.00 H new ATOM 0 HD11 ILE A 3 72.468 -8.848 3.321 1.00 0.00 H new ATOM 0 HD12 ILE A 3 72.188 -9.505 1.690 1.00 0.00 H new ATOM 0 HD13 ILE A 3 71.340 -10.206 3.090 1.00 0.00 H new ATOM 56 N PHE A 4 74.333 -11.554 -0.584 1.00 0.00 N ATOM 57 CA PHE A 4 74.801 -10.691 -1.668 1.00 0.00 C ATOM 58 C PHE A 4 73.854 -9.519 -1.901 1.00 0.00 C ATOM 59 O PHE A 4 72.634 -9.684 -1.914 1.00 0.00 O ATOM 60 CB PHE A 4 74.926 -11.505 -2.957 1.00 0.00 C ATOM 61 CG PHE A 4 76.060 -12.494 -2.819 1.00 0.00 C ATOM 62 CD1 PHE A 4 75.786 -13.863 -2.723 1.00 0.00 C ATOM 63 CD2 PHE A 4 77.383 -12.039 -2.781 1.00 0.00 C ATOM 64 CE1 PHE A 4 76.837 -14.779 -2.589 1.00 0.00 C ATOM 65 CE2 PHE A 4 78.434 -12.956 -2.647 1.00 0.00 C ATOM 66 CZ PHE A 4 78.160 -14.324 -2.551 1.00 0.00 C ATOM 0 H PHE A 4 73.459 -12.044 -0.777 1.00 0.00 H new ATOM 0 HA PHE A 4 75.773 -10.291 -1.380 1.00 0.00 H new ATOM 0 HB2 PHE A 4 73.993 -12.031 -3.160 1.00 0.00 H new ATOM 0 HB3 PHE A 4 75.108 -10.842 -3.803 1.00 0.00 H new ATOM 0 HD1 PHE A 4 74.765 -14.213 -2.752 1.00 0.00 H new ATOM 0 HD2 PHE A 4 77.594 -10.982 -2.855 1.00 0.00 H new ATOM 0 HE1 PHE A 4 76.627 -15.836 -2.515 1.00 0.00 H new ATOM 0 HE2 PHE A 4 79.455 -12.606 -2.618 1.00 0.00 H new ATOM 0 HZ PHE A 4 78.970 -15.030 -2.447 1.00 0.00 H new ATOM 76 N VAL A 5 74.431 -8.337 -2.097 1.00 0.00 N ATOM 77 CA VAL A 5 73.648 -7.133 -2.352 1.00 0.00 C ATOM 78 C VAL A 5 74.108 -6.483 -3.655 1.00 0.00 C ATOM 79 O VAL A 5 75.262 -6.080 -3.776 1.00 0.00 O ATOM 80 CB VAL A 5 73.807 -6.144 -1.194 1.00 0.00 C ATOM 81 CG1 VAL A 5 73.050 -4.855 -1.518 1.00 0.00 C ATOM 82 CG2 VAL A 5 73.237 -6.762 0.085 1.00 0.00 C ATOM 0 H VAL A 5 75.440 -8.188 -2.084 1.00 0.00 H new ATOM 0 HA VAL A 5 72.597 -7.408 -2.439 1.00 0.00 H new ATOM 0 HB VAL A 5 74.864 -5.919 -1.050 1.00 0.00 H new ATOM 0 HG11 VAL A 5 73.162 -4.150 -0.694 1.00 0.00 H new ATOM 0 HG12 VAL A 5 73.454 -4.415 -2.430 1.00 0.00 H new ATOM 0 HG13 VAL A 5 71.993 -5.080 -1.661 1.00 0.00 H new ATOM 0 HG21 VAL A 5 73.350 -6.059 0.910 1.00 0.00 H new ATOM 0 HG22 VAL A 5 72.180 -6.986 -0.059 1.00 0.00 H new ATOM 0 HG23 VAL A 5 73.775 -7.682 0.316 1.00 0.00 H new ATOM 92 N LYS A 6 73.209 -6.394 -4.627 1.00 0.00 N ATOM 93 CA LYS A 6 73.557 -5.799 -5.916 1.00 0.00 C ATOM 94 C LYS A 6 73.129 -4.337 -5.974 1.00 0.00 C ATOM 95 O LYS A 6 72.007 -3.991 -5.602 1.00 0.00 O ATOM 96 CB LYS A 6 72.875 -6.570 -7.049 1.00 0.00 C ATOM 97 CG LYS A 6 73.345 -8.025 -7.040 1.00 0.00 C ATOM 98 CD LYS A 6 74.593 -8.166 -7.913 1.00 0.00 C ATOM 99 CE LYS A 6 74.176 -8.407 -9.366 1.00 0.00 C ATOM 100 NZ LYS A 6 75.272 -7.969 -10.276 1.00 0.00 N ATOM 0 H LYS A 6 72.246 -6.721 -4.552 1.00 0.00 H new ATOM 0 HA LYS A 6 74.639 -5.853 -6.032 1.00 0.00 H new ATOM 0 HB2 LYS A 6 71.792 -6.527 -6.930 1.00 0.00 H new ATOM 0 HB3 LYS A 6 73.109 -6.108 -8.008 1.00 0.00 H new ATOM 0 HG2 LYS A 6 73.565 -8.341 -6.020 1.00 0.00 H new ATOM 0 HG3 LYS A 6 72.553 -8.676 -7.411 1.00 0.00 H new ATOM 0 HD2 LYS A 6 75.202 -7.265 -7.843 1.00 0.00 H new ATOM 0 HD3 LYS A 6 75.207 -8.994 -7.558 1.00 0.00 H new ATOM 0 HE2 LYS A 6 73.959 -9.464 -9.523 1.00 0.00 H new ATOM 0 HE3 LYS A 6 73.262 -7.857 -9.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 74.989 -8.132 -11.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 75.459 -6.956 -10.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 76.134 -8.513 -10.068 1.00 0.00 H new ATOM 114 N THR A 7 74.034 -3.484 -6.446 1.00 0.00 N ATOM 115 CA THR A 7 73.750 -2.057 -6.555 1.00 0.00 C ATOM 116 C THR A 7 73.557 -1.661 -8.016 1.00 0.00 C ATOM 117 O THR A 7 73.673 -2.492 -8.916 1.00 0.00 O ATOM 118 CB THR A 7 74.901 -1.249 -5.953 1.00 0.00 C ATOM 119 OG1 THR A 7 75.989 -1.223 -6.867 1.00 0.00 O ATOM 120 CG2 THR A 7 75.348 -1.891 -4.641 1.00 0.00 C ATOM 0 H THR A 7 74.967 -3.755 -6.758 1.00 0.00 H new ATOM 0 HA THR A 7 72.832 -1.844 -6.008 1.00 0.00 H new ATOM 0 HB THR A 7 74.566 -0.230 -5.758 1.00 0.00 H new ATOM 0 HG1 THR A 7 76.831 -1.318 -6.375 1.00 0.00 H new ATOM 0 HG21 THR A 7 76.168 -1.314 -4.214 1.00 0.00 H new ATOM 0 HG22 THR A 7 74.513 -1.907 -3.941 1.00 0.00 H new ATOM 0 HG23 THR A 7 75.683 -2.911 -4.830 1.00 0.00 H new ATOM 128 N LEU A 8 73.261 -0.384 -8.241 1.00 0.00 N ATOM 129 CA LEU A 8 73.055 0.114 -9.596 1.00 0.00 C ATOM 130 C LEU A 8 74.374 0.151 -10.360 1.00 0.00 C ATOM 131 O LEU A 8 74.391 0.286 -11.585 1.00 0.00 O ATOM 132 CB LEU A 8 72.450 1.518 -9.551 1.00 0.00 C ATOM 133 CG LEU A 8 71.099 1.470 -8.835 1.00 0.00 C ATOM 134 CD1 LEU A 8 70.936 2.720 -7.968 1.00 0.00 C ATOM 135 CD2 LEU A 8 69.974 1.421 -9.873 1.00 0.00 C ATOM 0 H LEU A 8 73.159 0.319 -7.509 1.00 0.00 H new ATOM 0 HA LEU A 8 72.370 -0.560 -10.110 1.00 0.00 H new ATOM 0 HB2 LEU A 8 73.124 2.199 -9.032 1.00 0.00 H new ATOM 0 HB3 LEU A 8 72.324 1.903 -10.563 1.00 0.00 H new ATOM 0 HG LEU A 8 71.053 0.582 -8.205 1.00 0.00 H new ATOM 0 HD11 LEU A 8 69.973 2.686 -7.458 1.00 0.00 H new ATOM 0 HD12 LEU A 8 71.737 2.758 -7.230 1.00 0.00 H new ATOM 0 HD13 LEU A 8 70.981 3.608 -8.598 1.00 0.00 H new ATOM 0 HD21 LEU A 8 69.011 1.387 -9.364 1.00 0.00 H new ATOM 0 HD22 LEU A 8 70.021 2.310 -10.502 1.00 0.00 H new ATOM 0 HD23 LEU A 8 70.089 0.531 -10.492 1.00 0.00 H new ATOM 147 N THR A 9 75.478 0.036 -9.630 1.00 0.00 N ATOM 148 CA THR A 9 76.798 0.061 -10.250 1.00 0.00 C ATOM 149 C THR A 9 77.202 -1.336 -10.714 1.00 0.00 C ATOM 150 O THR A 9 78.235 -1.511 -11.358 1.00 0.00 O ATOM 151 CB THR A 9 77.834 0.588 -9.253 1.00 0.00 C ATOM 152 OG1 THR A 9 78.119 -0.422 -8.294 1.00 0.00 O ATOM 153 CG2 THR A 9 77.280 1.825 -8.547 1.00 0.00 C ATOM 0 H THR A 9 75.486 -0.075 -8.616 1.00 0.00 H new ATOM 0 HA THR A 9 76.757 0.721 -11.116 1.00 0.00 H new ATOM 0 HB THR A 9 78.748 0.855 -9.782 1.00 0.00 H new ATOM 0 HG1 THR A 9 77.295 -0.903 -8.071 1.00 0.00 H new ATOM 0 HG21 THR A 9 78.018 2.200 -7.837 1.00 0.00 H new ATOM 0 HG22 THR A 9 77.061 2.597 -9.284 1.00 0.00 H new ATOM 0 HG23 THR A 9 76.366 1.561 -8.015 1.00 0.00 H new ATOM 161 N GLY A 10 76.377 -2.325 -10.383 1.00 0.00 N ATOM 162 CA GLY A 10 76.659 -3.701 -10.773 1.00 0.00 C ATOM 163 C GLY A 10 77.548 -4.390 -9.742 1.00 0.00 C ATOM 164 O GLY A 10 77.722 -5.608 -9.773 1.00 0.00 O ATOM 0 H GLY A 10 75.516 -2.201 -9.851 1.00 0.00 H new ATOM 0 HA2 GLY A 10 75.724 -4.252 -10.879 1.00 0.00 H new ATOM 0 HA3 GLY A 10 77.148 -3.714 -11.747 1.00 0.00 H new ATOM 168 N LYS A 11 78.110 -3.602 -8.831 1.00 0.00 N ATOM 169 CA LYS A 11 78.980 -4.147 -7.796 1.00 0.00 C ATOM 170 C LYS A 11 78.163 -4.913 -6.759 1.00 0.00 C ATOM 171 O LYS A 11 77.127 -4.437 -6.296 1.00 0.00 O ATOM 172 CB LYS A 11 79.746 -3.016 -7.107 1.00 0.00 C ATOM 173 CG LYS A 11 80.888 -3.603 -6.277 1.00 0.00 C ATOM 174 CD LYS A 11 81.065 -2.782 -4.997 1.00 0.00 C ATOM 175 CE LYS A 11 82.226 -3.351 -4.180 1.00 0.00 C ATOM 176 NZ LYS A 11 82.733 -2.309 -3.242 1.00 0.00 N ATOM 0 H LYS A 11 77.980 -2.591 -8.788 1.00 0.00 H new ATOM 0 HA LYS A 11 79.687 -4.831 -8.266 1.00 0.00 H new ATOM 0 HB2 LYS A 11 80.142 -2.325 -7.851 1.00 0.00 H new ATOM 0 HB3 LYS A 11 79.074 -2.445 -6.467 1.00 0.00 H new ATOM 0 HG2 LYS A 11 80.674 -4.642 -6.028 1.00 0.00 H new ATOM 0 HG3 LYS A 11 81.812 -3.598 -6.855 1.00 0.00 H new ATOM 0 HD2 LYS A 11 81.259 -1.739 -5.246 1.00 0.00 H new ATOM 0 HD3 LYS A 11 80.148 -2.804 -4.409 1.00 0.00 H new ATOM 0 HE2 LYS A 11 81.897 -4.228 -3.622 1.00 0.00 H new ATOM 0 HE3 LYS A 11 83.026 -3.678 -4.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 83.522 -2.696 -2.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 83.062 -1.485 -3.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 81.968 -2.018 -2.600 1.00 0.00 H new ATOM 190 N THR A 12 78.636 -6.104 -6.401 1.00 0.00 N ATOM 191 CA THR A 12 77.938 -6.927 -5.420 1.00 0.00 C ATOM 192 C THR A 12 78.612 -6.831 -4.055 1.00 0.00 C ATOM 193 O THR A 12 79.758 -7.251 -3.889 1.00 0.00 O ATOM 194 CB THR A 12 77.920 -8.387 -5.879 1.00 0.00 C ATOM 195 OG1 THR A 12 77.606 -8.443 -7.263 1.00 0.00 O ATOM 196 CG2 THR A 12 76.866 -9.162 -5.083 1.00 0.00 C ATOM 0 H THR A 12 79.492 -6.517 -6.772 1.00 0.00 H new ATOM 0 HA THR A 12 76.916 -6.559 -5.333 1.00 0.00 H new ATOM 0 HB THR A 12 78.900 -8.833 -5.710 1.00 0.00 H new ATOM 0 HG1 THR A 12 77.596 -9.377 -7.559 1.00 0.00 H new ATOM 0 HG21 THR A 12 76.854 -10.201 -5.411 1.00 0.00 H new ATOM 0 HG22 THR A 12 77.108 -9.119 -4.021 1.00 0.00 H new ATOM 0 HG23 THR A 12 75.885 -8.718 -5.250 1.00 0.00 H new ATOM 204 N ILE A 13 77.897 -6.279 -3.078 1.00 0.00 N ATOM 205 CA ILE A 13 78.445 -6.143 -1.731 1.00 0.00 C ATOM 206 C ILE A 13 78.064 -7.345 -0.875 1.00 0.00 C ATOM 207 O ILE A 13 76.882 -7.619 -0.666 1.00 0.00 O ATOM 208 CB ILE A 13 77.917 -4.868 -1.060 1.00 0.00 C ATOM 209 CG1 ILE A 13 77.169 -4.013 -2.087 1.00 0.00 C ATOM 210 CG2 ILE A 13 79.087 -4.070 -0.476 1.00 0.00 C ATOM 211 CD1 ILE A 13 76.845 -2.645 -1.480 1.00 0.00 C ATOM 0 H ILE A 13 76.948 -5.922 -3.191 1.00 0.00 H new ATOM 0 HA ILE A 13 79.530 -6.086 -1.817 1.00 0.00 H new ATOM 0 HB ILE A 13 77.233 -5.142 -0.257 1.00 0.00 H new ATOM 0 HG12 ILE A 13 77.777 -3.889 -2.983 1.00 0.00 H new ATOM 0 HG13 ILE A 13 76.250 -4.514 -2.391 1.00 0.00 H new ATOM 0 HG21 ILE A 13 78.709 -3.165 -0.000 1.00 0.00 H new ATOM 0 HG22 ILE A 13 79.609 -4.678 0.263 1.00 0.00 H new ATOM 0 HG23 ILE A 13 79.777 -3.799 -1.275 1.00 0.00 H new ATOM 0 HD11 ILE A 13 76.313 -2.039 -2.213 1.00 0.00 H new ATOM 0 HD12 ILE A 13 76.221 -2.778 -0.597 1.00 0.00 H new ATOM 0 HD13 ILE A 13 77.771 -2.144 -1.198 1.00 0.00 H new ATOM 223 N THR A 14 79.069 -8.052 -0.369 1.00 0.00 N ATOM 224 CA THR A 14 78.815 -9.212 0.476 1.00 0.00 C ATOM 225 C THR A 14 78.952 -8.824 1.944 1.00 0.00 C ATOM 226 O THR A 14 79.955 -8.233 2.346 1.00 0.00 O ATOM 227 CB THR A 14 79.802 -10.334 0.145 1.00 0.00 C ATOM 228 OG1 THR A 14 79.853 -10.519 -1.262 1.00 0.00 O ATOM 229 CG2 THR A 14 79.346 -11.631 0.818 1.00 0.00 C ATOM 0 H THR A 14 80.055 -7.845 -0.527 1.00 0.00 H new ATOM 0 HA THR A 14 77.801 -9.566 0.290 1.00 0.00 H new ATOM 0 HB THR A 14 80.793 -10.067 0.511 1.00 0.00 H new ATOM 0 HG1 THR A 14 79.122 -11.109 -1.541 1.00 0.00 H new ATOM 0 HG21 THR A 14 80.049 -12.430 0.582 1.00 0.00 H new ATOM 0 HG22 THR A 14 79.309 -11.487 1.898 1.00 0.00 H new ATOM 0 HG23 THR A 14 78.355 -11.901 0.454 1.00 0.00 H new ATOM 237 N LEU A 15 77.942 -9.156 2.737 1.00 0.00 N ATOM 238 CA LEU A 15 77.960 -8.829 4.159 1.00 0.00 C ATOM 239 C LEU A 15 77.382 -9.979 4.976 1.00 0.00 C ATOM 240 O LEU A 15 76.609 -10.786 4.463 1.00 0.00 O ATOM 241 CB LEU A 15 77.132 -7.563 4.443 1.00 0.00 C ATOM 242 CG LEU A 15 77.096 -6.633 3.221 1.00 0.00 C ATOM 243 CD1 LEU A 15 76.088 -5.511 3.478 1.00 0.00 C ATOM 244 CD2 LEU A 15 78.481 -6.023 2.994 1.00 0.00 C ATOM 0 H LEU A 15 77.105 -9.648 2.424 1.00 0.00 H new ATOM 0 HA LEU A 15 78.998 -8.655 4.443 1.00 0.00 H new ATOM 0 HB2 LEU A 15 76.116 -7.845 4.718 1.00 0.00 H new ATOM 0 HB3 LEU A 15 77.557 -7.032 5.295 1.00 0.00 H new ATOM 0 HG LEU A 15 76.804 -7.203 2.339 1.00 0.00 H new ATOM 0 HD11 LEU A 15 76.056 -4.846 2.615 1.00 0.00 H new ATOM 0 HD12 LEU A 15 75.100 -5.940 3.642 1.00 0.00 H new ATOM 0 HD13 LEU A 15 76.389 -4.946 4.360 1.00 0.00 H new ATOM 0 HD21 LEU A 15 78.451 -5.364 2.126 1.00 0.00 H new ATOM 0 HD22 LEU A 15 78.775 -5.451 3.874 1.00 0.00 H new ATOM 0 HD23 LEU A 15 79.205 -6.819 2.820 1.00 0.00 H new ATOM 256 N GLU A 16 77.740 -10.029 6.255 1.00 0.00 N ATOM 257 CA GLU A 16 77.231 -11.073 7.136 1.00 0.00 C ATOM 258 C GLU A 16 75.996 -10.556 7.859 1.00 0.00 C ATOM 259 O GLU A 16 76.019 -9.473 8.443 1.00 0.00 O ATOM 260 CB GLU A 16 78.300 -11.472 8.155 1.00 0.00 C ATOM 261 CG GLU A 16 77.718 -12.493 9.134 1.00 0.00 C ATOM 262 CD GLU A 16 78.815 -13.437 9.616 1.00 0.00 C ATOM 263 OE1 GLU A 16 79.444 -13.123 10.612 1.00 0.00 O ATOM 264 OE2 GLU A 16 79.012 -14.458 8.979 1.00 0.00 O ATOM 0 H GLU A 16 78.374 -9.366 6.701 1.00 0.00 H new ATOM 0 HA GLU A 16 76.970 -11.950 6.544 1.00 0.00 H new ATOM 0 HB2 GLU A 16 79.165 -11.895 7.644 1.00 0.00 H new ATOM 0 HB3 GLU A 16 78.648 -10.592 8.696 1.00 0.00 H new ATOM 0 HG2 GLU A 16 77.269 -11.979 9.984 1.00 0.00 H new ATOM 0 HG3 GLU A 16 76.924 -13.062 8.650 1.00 0.00 H new ATOM 271 N VAL A 17 74.908 -11.317 7.788 1.00 0.00 N ATOM 272 CA VAL A 17 73.663 -10.893 8.413 1.00 0.00 C ATOM 273 C VAL A 17 72.950 -12.054 9.109 1.00 0.00 C ATOM 274 O VAL A 17 73.108 -13.213 8.726 1.00 0.00 O ATOM 275 CB VAL A 17 72.756 -10.297 7.336 1.00 0.00 C ATOM 276 CG1 VAL A 17 73.568 -9.355 6.447 1.00 0.00 C ATOM 277 CG2 VAL A 17 72.170 -11.423 6.480 1.00 0.00 C ATOM 0 H VAL A 17 74.864 -12.217 7.311 1.00 0.00 H new ATOM 0 HA VAL A 17 73.893 -10.150 9.177 1.00 0.00 H new ATOM 0 HB VAL A 17 71.947 -9.742 7.812 1.00 0.00 H new ATOM 0 HG11 VAL A 17 72.921 -8.931 5.680 1.00 0.00 H new ATOM 0 HG12 VAL A 17 73.986 -8.552 7.054 1.00 0.00 H new ATOM 0 HG13 VAL A 17 74.377 -9.910 5.973 1.00 0.00 H new ATOM 0 HG21 VAL A 17 71.523 -10.998 5.712 1.00 0.00 H new ATOM 0 HG22 VAL A 17 72.979 -11.978 6.006 1.00 0.00 H new ATOM 0 HG23 VAL A 17 71.589 -12.096 7.111 1.00 0.00 H new ATOM 287 N GLU A 18 72.158 -11.723 10.134 1.00 0.00 N ATOM 288 CA GLU A 18 71.408 -12.729 10.886 1.00 0.00 C ATOM 289 C GLU A 18 69.902 -12.500 10.711 1.00 0.00 C ATOM 290 O GLU A 18 69.499 -11.578 10.017 1.00 0.00 O ATOM 291 CB GLU A 18 71.770 -12.652 12.375 1.00 0.00 C ATOM 292 CG GLU A 18 73.111 -11.939 12.561 1.00 0.00 C ATOM 293 CD GLU A 18 74.181 -12.549 11.659 1.00 0.00 C ATOM 294 OE1 GLU A 18 74.159 -13.753 11.464 1.00 0.00 O ATOM 295 OE2 GLU A 18 75.016 -11.796 11.185 1.00 0.00 O ATOM 0 H GLU A 18 72.021 -10.766 10.460 1.00 0.00 H new ATOM 0 HA GLU A 18 71.668 -13.717 10.505 1.00 0.00 H new ATOM 0 HB2 GLU A 18 70.989 -12.120 12.919 1.00 0.00 H new ATOM 0 HB3 GLU A 18 71.823 -13.656 12.795 1.00 0.00 H new ATOM 0 HG2 GLU A 18 72.999 -10.879 12.333 1.00 0.00 H new ATOM 0 HG3 GLU A 18 73.424 -12.010 13.603 1.00 0.00 H new ATOM 302 N PRO A 19 69.059 -13.299 11.316 1.00 0.00 N ATOM 303 CA PRO A 19 67.581 -13.126 11.191 1.00 0.00 C ATOM 304 C PRO A 19 67.062 -11.898 11.951 1.00 0.00 C ATOM 305 O PRO A 19 65.854 -11.684 12.030 1.00 0.00 O ATOM 306 CB PRO A 19 66.989 -14.412 11.786 1.00 0.00 C ATOM 307 CG PRO A 19 68.142 -15.311 12.115 1.00 0.00 C ATOM 308 CD PRO A 19 69.396 -14.443 12.169 1.00 0.00 C ATOM 0 HA PRO A 19 67.295 -12.961 10.152 1.00 0.00 H new ATOM 0 HB2 PRO A 19 66.405 -14.191 12.679 1.00 0.00 H new ATOM 0 HB3 PRO A 19 66.316 -14.892 11.076 1.00 0.00 H new ATOM 0 HG2 PRO A 19 67.979 -15.810 13.070 1.00 0.00 H new ATOM 0 HG3 PRO A 19 68.247 -16.091 11.361 1.00 0.00 H new ATOM 0 HD2 PRO A 19 69.624 -14.130 13.188 1.00 0.00 H new ATOM 0 HD3 PRO A 19 70.270 -14.977 11.797 1.00 0.00 H new ATOM 316 N SER A 20 67.978 -11.094 12.501 1.00 0.00 N ATOM 317 CA SER A 20 67.589 -9.882 13.242 1.00 0.00 C ATOM 318 C SER A 20 68.153 -8.649 12.538 1.00 0.00 C ATOM 319 O SER A 20 68.062 -7.519 13.019 1.00 0.00 O ATOM 320 CB SER A 20 68.107 -9.947 14.679 1.00 0.00 C ATOM 321 OG SER A 20 69.473 -10.340 14.670 1.00 0.00 O ATOM 0 H SER A 20 68.984 -11.255 12.450 1.00 0.00 H new ATOM 0 HA SER A 20 66.501 -9.817 13.269 1.00 0.00 H new ATOM 0 HB2 SER A 20 68.000 -8.975 15.160 1.00 0.00 H new ATOM 0 HB3 SER A 20 67.517 -10.657 15.259 1.00 0.00 H new ATOM 0 HG SER A 20 69.808 -10.381 15.590 1.00 0.00 H new ATOM 327 N ASP A 21 68.710 -8.920 11.379 1.00 0.00 N ATOM 328 CA ASP A 21 69.304 -7.930 10.486 1.00 0.00 C ATOM 329 C ASP A 21 68.220 -7.248 9.688 1.00 0.00 C ATOM 330 O ASP A 21 68.246 -7.227 8.458 1.00 0.00 O ATOM 331 CB ASP A 21 70.320 -8.551 9.559 1.00 0.00 C ATOM 332 CG ASP A 21 71.662 -8.674 10.266 1.00 0.00 C ATOM 333 OD1 ASP A 21 71.687 -9.211 11.362 1.00 0.00 O ATOM 334 OD2 ASP A 21 72.646 -8.215 9.710 1.00 0.00 O ATOM 0 H ASP A 21 68.768 -9.870 11.012 1.00 0.00 H new ATOM 0 HA ASP A 21 69.825 -7.194 11.099 1.00 0.00 H new ATOM 0 HB2 ASP A 21 69.978 -9.534 9.237 1.00 0.00 H new ATOM 0 HB3 ASP A 21 70.427 -7.941 8.662 1.00 0.00 H new ATOM 339 N THR A 22 67.202 -6.815 10.385 1.00 0.00 N ATOM 340 CA THR A 22 66.034 -6.276 9.716 1.00 0.00 C ATOM 341 C THR A 22 66.380 -5.021 8.947 1.00 0.00 C ATOM 342 O THR A 22 67.278 -4.269 9.306 1.00 0.00 O ATOM 343 CB THR A 22 64.993 -5.879 10.762 1.00 0.00 C ATOM 344 OG1 THR A 22 65.055 -4.474 10.969 1.00 0.00 O ATOM 345 CG2 THR A 22 65.291 -6.594 12.073 1.00 0.00 C ATOM 0 H THR A 22 67.152 -6.822 11.404 1.00 0.00 H new ATOM 0 HA THR A 22 65.658 -7.041 9.037 1.00 0.00 H new ATOM 0 HB THR A 22 63.999 -6.159 10.414 1.00 0.00 H new ATOM 0 HG1 THR A 22 64.389 -4.212 11.638 1.00 0.00 H new ATOM 0 HG21 THR A 22 64.548 -6.311 12.819 1.00 0.00 H new ATOM 0 HG22 THR A 22 65.255 -7.672 11.916 1.00 0.00 H new ATOM 0 HG23 THR A 22 66.284 -6.312 12.424 1.00 0.00 H new ATOM 353 N ILE A 23 65.669 -4.873 7.833 1.00 0.00 N ATOM 354 CA ILE A 23 65.861 -3.777 6.901 1.00 0.00 C ATOM 355 C ILE A 23 66.351 -2.516 7.610 1.00 0.00 C ATOM 356 O ILE A 23 67.094 -1.722 7.032 1.00 0.00 O ATOM 357 CB ILE A 23 64.548 -3.519 6.157 1.00 0.00 C ATOM 358 CG1 ILE A 23 64.345 -4.603 5.081 1.00 0.00 C ATOM 359 CG2 ILE A 23 64.600 -2.151 5.479 1.00 0.00 C ATOM 360 CD1 ILE A 23 64.274 -6.001 5.719 1.00 0.00 C ATOM 0 H ILE A 23 64.934 -5.522 7.552 1.00 0.00 H new ATOM 0 HA ILE A 23 66.634 -4.053 6.184 1.00 0.00 H new ATOM 0 HB ILE A 23 63.723 -3.544 6.869 1.00 0.00 H new ATOM 0 HG12 ILE A 23 63.428 -4.404 4.527 1.00 0.00 H new ATOM 0 HG13 ILE A 23 65.165 -4.567 4.363 1.00 0.00 H new ATOM 0 HG21 ILE A 23 63.664 -1.971 4.951 1.00 0.00 H new ATOM 0 HG22 ILE A 23 64.746 -1.377 6.232 1.00 0.00 H new ATOM 0 HG23 ILE A 23 65.427 -2.128 4.770 1.00 0.00 H new ATOM 0 HD11 ILE A 23 64.130 -6.750 4.940 1.00 0.00 H new ATOM 0 HD12 ILE A 23 65.203 -6.205 6.252 1.00 0.00 H new ATOM 0 HD13 ILE A 23 63.439 -6.040 6.418 1.00 0.00 H new ATOM 372 N GLU A 24 65.964 -2.350 8.867 1.00 0.00 N ATOM 373 CA GLU A 24 66.410 -1.197 9.638 1.00 0.00 C ATOM 374 C GLU A 24 67.903 -1.328 9.938 1.00 0.00 C ATOM 375 O GLU A 24 68.683 -0.411 9.681 1.00 0.00 O ATOM 376 CB GLU A 24 65.621 -1.108 10.947 1.00 0.00 C ATOM 377 CG GLU A 24 65.900 0.238 11.622 1.00 0.00 C ATOM 378 CD GLU A 24 66.107 0.037 13.119 1.00 0.00 C ATOM 379 OE1 GLU A 24 65.431 0.705 13.884 1.00 0.00 O ATOM 380 OE2 GLU A 24 66.937 -0.780 13.479 1.00 0.00 O ATOM 0 H GLU A 24 65.350 -2.990 9.370 1.00 0.00 H new ATOM 0 HA GLU A 24 66.238 -0.289 9.059 1.00 0.00 H new ATOM 0 HB2 GLU A 24 64.554 -1.213 10.749 1.00 0.00 H new ATOM 0 HB3 GLU A 24 65.904 -1.925 11.611 1.00 0.00 H new ATOM 0 HG2 GLU A 24 66.785 0.698 11.183 1.00 0.00 H new ATOM 0 HG3 GLU A 24 65.067 0.920 11.450 1.00 0.00 H new ATOM 387 N ASN A 25 68.288 -2.485 10.471 1.00 0.00 N ATOM 388 CA ASN A 25 69.685 -2.756 10.794 1.00 0.00 C ATOM 389 C ASN A 25 70.507 -2.942 9.521 1.00 0.00 C ATOM 390 O ASN A 25 71.614 -2.418 9.403 1.00 0.00 O ATOM 391 CB ASN A 25 69.785 -4.028 11.644 1.00 0.00 C ATOM 392 CG ASN A 25 68.978 -3.859 12.927 1.00 0.00 C ATOM 393 OD1 ASN A 25 67.767 -4.079 12.935 1.00 0.00 O ATOM 394 ND2 ASN A 25 69.581 -3.471 14.019 1.00 0.00 N ATOM 0 H ASN A 25 67.650 -3.251 10.688 1.00 0.00 H new ATOM 0 HA ASN A 25 70.078 -1.905 11.350 1.00 0.00 H new ATOM 0 HB2 ASN A 25 69.413 -4.883 11.080 1.00 0.00 H new ATOM 0 HB3 ASN A 25 70.828 -4.234 11.884 1.00 0.00 H new ATOM 0 HD21 ASN A 25 69.048 -3.350 14.880 1.00 0.00 H new ATOM 0 HD22 ASN A 25 70.585 -3.289 14.010 1.00 0.00 H new ATOM 401 N ALA A 26 69.958 -3.698 8.576 1.00 0.00 N ATOM 402 CA ALA A 26 70.649 -3.956 7.316 1.00 0.00 C ATOM 403 C ALA A 26 70.963 -2.650 6.596 1.00 0.00 C ATOM 404 O ALA A 26 72.045 -2.484 6.032 1.00 0.00 O ATOM 405 CB ALA A 26 69.784 -4.839 6.415 1.00 0.00 C ATOM 0 H ALA A 26 69.043 -4.141 8.657 1.00 0.00 H new ATOM 0 HA ALA A 26 71.585 -4.469 7.539 1.00 0.00 H new ATOM 0 HB1 ALA A 26 70.308 -5.026 5.478 1.00 0.00 H new ATOM 0 HB2 ALA A 26 69.587 -5.787 6.916 1.00 0.00 H new ATOM 0 HB3 ALA A 26 68.840 -4.334 6.209 1.00 0.00 H new ATOM 411 N LYS A 27 70.012 -1.724 6.622 1.00 0.00 N ATOM 412 CA LYS A 27 70.198 -0.435 5.970 1.00 0.00 C ATOM 413 C LYS A 27 71.386 0.303 6.577 1.00 0.00 C ATOM 414 O LYS A 27 72.104 1.022 5.881 1.00 0.00 O ATOM 415 CB LYS A 27 68.936 0.414 6.133 1.00 0.00 C ATOM 416 CG LYS A 27 67.955 0.105 5.001 1.00 0.00 C ATOM 417 CD LYS A 27 66.601 0.745 5.313 1.00 0.00 C ATOM 418 CE LYS A 27 65.643 0.516 4.143 1.00 0.00 C ATOM 419 NZ LYS A 27 65.571 1.751 3.313 1.00 0.00 N ATOM 0 H LYS A 27 69.110 -1.841 7.084 1.00 0.00 H new ATOM 0 HA LYS A 27 70.391 -0.606 4.911 1.00 0.00 H new ATOM 0 HB2 LYS A 27 68.470 0.208 7.097 1.00 0.00 H new ATOM 0 HB3 LYS A 27 69.195 1.473 6.124 1.00 0.00 H new ATOM 0 HG2 LYS A 27 68.341 0.487 4.056 1.00 0.00 H new ATOM 0 HG3 LYS A 27 67.842 -0.973 4.887 1.00 0.00 H new ATOM 0 HD2 LYS A 27 66.186 0.316 6.225 1.00 0.00 H new ATOM 0 HD3 LYS A 27 66.725 1.813 5.491 1.00 0.00 H new ATOM 0 HE2 LYS A 27 65.985 -0.323 3.537 1.00 0.00 H new ATOM 0 HE3 LYS A 27 64.652 0.257 4.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 64.598 2.118 3.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 66.214 2.469 3.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 65.851 1.529 2.336 1.00 0.00 H new ATOM 433 N ALA A 28 71.586 0.121 7.878 1.00 0.00 N ATOM 434 CA ALA A 28 72.690 0.775 8.572 1.00 0.00 C ATOM 435 C ALA A 28 74.028 0.199 8.121 1.00 0.00 C ATOM 436 O ALA A 28 74.985 0.936 7.889 1.00 0.00 O ATOM 437 CB ALA A 28 72.536 0.591 10.083 1.00 0.00 C ATOM 0 H ALA A 28 71.002 -0.470 8.470 1.00 0.00 H new ATOM 0 HA ALA A 28 72.668 1.837 8.329 1.00 0.00 H new ATOM 0 HB1 ALA A 28 73.363 1.082 10.595 1.00 0.00 H new ATOM 0 HB2 ALA A 28 71.594 1.032 10.409 1.00 0.00 H new ATOM 0 HB3 ALA A 28 72.540 -0.472 10.322 1.00 0.00 H new ATOM 443 N LYS A 29 74.087 -1.123 7.999 1.00 0.00 N ATOM 444 CA LYS A 29 75.316 -1.787 7.576 1.00 0.00 C ATOM 445 C LYS A 29 75.727 -1.319 6.184 1.00 0.00 C ATOM 446 O LYS A 29 76.909 -1.090 5.921 1.00 0.00 O ATOM 447 CB LYS A 29 75.113 -3.303 7.570 1.00 0.00 C ATOM 448 CG LYS A 29 75.010 -3.811 9.009 1.00 0.00 C ATOM 449 CD LYS A 29 74.827 -5.331 9.003 1.00 0.00 C ATOM 450 CE LYS A 29 75.110 -5.885 10.400 1.00 0.00 C ATOM 451 NZ LYS A 29 76.520 -5.580 10.779 1.00 0.00 N ATOM 0 H LYS A 29 73.306 -1.752 8.185 1.00 0.00 H new ATOM 0 HA LYS A 29 76.108 -1.530 8.280 1.00 0.00 H new ATOM 0 HB2 LYS A 29 74.208 -3.557 7.018 1.00 0.00 H new ATOM 0 HB3 LYS A 29 75.944 -3.790 7.060 1.00 0.00 H new ATOM 0 HG2 LYS A 29 75.909 -3.545 9.565 1.00 0.00 H new ATOM 0 HG3 LYS A 29 74.170 -3.335 9.515 1.00 0.00 H new ATOM 0 HD2 LYS A 29 73.811 -5.584 8.699 1.00 0.00 H new ATOM 0 HD3 LYS A 29 75.500 -5.786 8.277 1.00 0.00 H new ATOM 0 HE2 LYS A 29 74.424 -5.444 11.124 1.00 0.00 H new ATOM 0 HE3 LYS A 29 74.942 -6.962 10.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 76.865 -6.303 11.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 77.116 -5.579 9.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 76.563 -4.645 11.232 1.00 0.00 H new ATOM 465 N ILE A 30 74.749 -1.180 5.297 1.00 0.00 N ATOM 466 CA ILE A 30 75.024 -0.741 3.935 1.00 0.00 C ATOM 467 C ILE A 30 75.466 0.718 3.920 1.00 0.00 C ATOM 468 O ILE A 30 76.382 1.092 3.187 1.00 0.00 O ATOM 469 CB ILE A 30 73.777 -0.914 3.069 1.00 0.00 C ATOM 470 CG1 ILE A 30 73.729 -2.355 2.556 1.00 0.00 C ATOM 471 CG2 ILE A 30 73.829 0.053 1.880 1.00 0.00 C ATOM 472 CD1 ILE A 30 72.372 -2.630 1.912 1.00 0.00 C ATOM 0 H ILE A 30 73.765 -1.363 5.494 1.00 0.00 H new ATOM 0 HA ILE A 30 75.830 -1.353 3.531 1.00 0.00 H new ATOM 0 HB ILE A 30 72.887 -0.699 3.660 1.00 0.00 H new ATOM 0 HG12 ILE A 30 74.526 -2.519 1.831 1.00 0.00 H new ATOM 0 HG13 ILE A 30 73.899 -3.049 3.379 1.00 0.00 H new ATOM 0 HG21 ILE A 30 72.937 -0.076 1.267 1.00 0.00 H new ATOM 0 HG22 ILE A 30 73.872 1.079 2.247 1.00 0.00 H new ATOM 0 HG23 ILE A 30 74.715 -0.155 1.280 1.00 0.00 H new ATOM 0 HD11 ILE A 30 72.343 -3.657 1.548 1.00 0.00 H new ATOM 0 HD12 ILE A 30 71.583 -2.484 2.650 1.00 0.00 H new ATOM 0 HD13 ILE A 30 72.220 -1.945 1.078 1.00 0.00 H new ATOM 484 N GLN A 31 74.811 1.538 4.733 1.00 0.00 N ATOM 485 CA GLN A 31 75.147 2.956 4.801 1.00 0.00 C ATOM 486 C GLN A 31 76.617 3.137 5.164 1.00 0.00 C ATOM 487 O GLN A 31 77.315 3.952 4.568 1.00 0.00 O ATOM 488 CB GLN A 31 74.267 3.653 5.841 1.00 0.00 C ATOM 489 CG GLN A 31 74.699 5.114 5.980 1.00 0.00 C ATOM 490 CD GLN A 31 75.506 5.298 7.261 1.00 0.00 C ATOM 491 OE1 GLN A 31 76.652 4.856 7.342 1.00 0.00 O ATOM 492 NE2 GLN A 31 74.972 5.924 8.274 1.00 0.00 N ATOM 0 H GLN A 31 74.051 1.250 5.349 1.00 0.00 H new ATOM 0 HA GLN A 31 74.969 3.403 3.823 1.00 0.00 H new ATOM 0 HB2 GLN A 31 73.220 3.599 5.542 1.00 0.00 H new ATOM 0 HB3 GLN A 31 74.350 3.145 6.802 1.00 0.00 H new ATOM 0 HG2 GLN A 31 75.297 5.409 5.118 1.00 0.00 H new ATOM 0 HG3 GLN A 31 73.822 5.761 5.996 1.00 0.00 H new ATOM 0 HE21 GLN A 31 74.022 6.289 8.205 1.00 0.00 H new ATOM 0 HE22 GLN A 31 75.504 6.048 9.135 1.00 0.00 H new ATOM 501 N ASP A 32 77.081 2.373 6.142 1.00 0.00 N ATOM 502 CA ASP A 32 78.472 2.464 6.569 1.00 0.00 C ATOM 503 C ASP A 32 79.409 1.995 5.459 1.00 0.00 C ATOM 504 O ASP A 32 80.610 2.261 5.496 1.00 0.00 O ATOM 505 CB ASP A 32 78.693 1.611 7.819 1.00 0.00 C ATOM 506 CG ASP A 32 78.337 2.413 9.066 1.00 0.00 C ATOM 507 OD1 ASP A 32 79.162 2.472 9.964 1.00 0.00 O ATOM 508 OD2 ASP A 32 77.246 2.959 9.104 1.00 0.00 O ATOM 0 H ASP A 32 76.522 1.689 6.652 1.00 0.00 H new ATOM 0 HA ASP A 32 78.692 3.507 6.797 1.00 0.00 H new ATOM 0 HB2 ASP A 32 78.081 0.711 7.768 1.00 0.00 H new ATOM 0 HB3 ASP A 32 79.732 1.287 7.869 1.00 0.00 H new ATOM 513 N LYS A 33 78.856 1.286 4.480 1.00 0.00 N ATOM 514 CA LYS A 33 79.658 0.775 3.374 1.00 0.00 C ATOM 515 C LYS A 33 79.592 1.695 2.155 1.00 0.00 C ATOM 516 O LYS A 33 80.607 1.936 1.500 1.00 0.00 O ATOM 517 CB LYS A 33 79.165 -0.620 2.976 1.00 0.00 C ATOM 518 CG LYS A 33 79.530 -1.627 4.069 1.00 0.00 C ATOM 519 CD LYS A 33 80.655 -2.538 3.568 1.00 0.00 C ATOM 520 CE LYS A 33 81.015 -3.551 4.657 1.00 0.00 C ATOM 521 NZ LYS A 33 81.996 -2.940 5.598 1.00 0.00 N ATOM 0 H LYS A 33 77.864 1.054 4.430 1.00 0.00 H new ATOM 0 HA LYS A 33 80.693 0.728 3.712 1.00 0.00 H new ATOM 0 HB2 LYS A 33 78.085 -0.606 2.827 1.00 0.00 H new ATOM 0 HB3 LYS A 33 79.614 -0.918 2.029 1.00 0.00 H new ATOM 0 HG2 LYS A 33 79.846 -1.103 4.971 1.00 0.00 H new ATOM 0 HG3 LYS A 33 78.657 -2.222 4.336 1.00 0.00 H new ATOM 0 HD2 LYS A 33 80.341 -3.058 2.663 1.00 0.00 H new ATOM 0 HD3 LYS A 33 81.530 -1.943 3.306 1.00 0.00 H new ATOM 0 HE2 LYS A 33 80.118 -3.855 5.197 1.00 0.00 H new ATOM 0 HE3 LYS A 33 81.437 -4.450 4.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 82.241 -3.628 6.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 82.855 -2.671 5.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 81.577 -2.095 6.036 1.00 0.00 H new ATOM 535 N GLU A 34 78.395 2.186 1.841 1.00 0.00 N ATOM 536 CA GLU A 34 78.222 3.054 0.677 1.00 0.00 C ATOM 537 C GLU A 34 78.076 4.520 1.079 1.00 0.00 C ATOM 538 O GLU A 34 78.355 5.417 0.283 1.00 0.00 O ATOM 539 CB GLU A 34 76.984 2.617 -0.108 1.00 0.00 C ATOM 540 CG GLU A 34 77.225 1.229 -0.707 1.00 0.00 C ATOM 541 CD GLU A 34 77.748 1.359 -2.133 1.00 0.00 C ATOM 542 OE1 GLU A 34 76.948 1.254 -3.049 1.00 0.00 O ATOM 543 OE2 GLU A 34 78.941 1.558 -2.290 1.00 0.00 O ATOM 0 H GLU A 34 77.541 2.002 2.367 1.00 0.00 H new ATOM 0 HA GLU A 34 79.114 2.962 0.058 1.00 0.00 H new ATOM 0 HB2 GLU A 34 76.113 2.596 0.547 1.00 0.00 H new ATOM 0 HB3 GLU A 34 76.770 3.335 -0.900 1.00 0.00 H new ATOM 0 HG2 GLU A 34 77.942 0.680 -0.097 1.00 0.00 H new ATOM 0 HG3 GLU A 34 76.298 0.656 -0.702 1.00 0.00 H new ATOM 550 N GLY A 35 77.636 4.766 2.307 1.00 0.00 N ATOM 551 CA GLY A 35 77.459 6.137 2.779 1.00 0.00 C ATOM 552 C GLY A 35 76.115 6.700 2.331 1.00 0.00 C ATOM 553 O GLY A 35 75.980 7.900 2.098 1.00 0.00 O ATOM 0 H GLY A 35 77.397 4.045 2.988 1.00 0.00 H new ATOM 0 HA2 GLY A 35 77.523 6.162 3.867 1.00 0.00 H new ATOM 0 HA3 GLY A 35 78.265 6.764 2.398 1.00 0.00 H new ATOM 557 N ILE A 36 75.120 5.824 2.213 1.00 0.00 N ATOM 558 CA ILE A 36 73.790 6.248 1.791 1.00 0.00 C ATOM 559 C ILE A 36 72.867 6.388 3.013 1.00 0.00 C ATOM 560 O ILE A 36 72.832 5.494 3.859 1.00 0.00 O ATOM 561 CB ILE A 36 73.206 5.217 0.821 1.00 0.00 C ATOM 562 CG1 ILE A 36 74.205 4.955 -0.309 1.00 0.00 C ATOM 563 CG2 ILE A 36 71.903 5.750 0.222 1.00 0.00 C ATOM 564 CD1 ILE A 36 73.680 3.834 -1.208 1.00 0.00 C ATOM 0 H ILE A 36 75.209 4.826 2.402 1.00 0.00 H new ATOM 0 HA ILE A 36 73.867 7.214 1.292 1.00 0.00 H new ATOM 0 HB ILE A 36 73.008 4.291 1.361 1.00 0.00 H new ATOM 0 HG12 ILE A 36 74.355 5.863 -0.893 1.00 0.00 H new ATOM 0 HG13 ILE A 36 75.174 4.679 0.106 1.00 0.00 H new ATOM 0 HG21 ILE A 36 71.491 5.013 -0.467 1.00 0.00 H new ATOM 0 HG22 ILE A 36 71.186 5.940 1.021 1.00 0.00 H new ATOM 0 HG23 ILE A 36 72.102 6.678 -0.315 1.00 0.00 H new ATOM 0 HD11 ILE A 36 74.392 3.649 -2.012 1.00 0.00 H new ATOM 0 HD12 ILE A 36 73.552 2.925 -0.620 1.00 0.00 H new ATOM 0 HD13 ILE A 36 72.721 4.128 -1.634 1.00 0.00 H new ATOM 576 N PRO A 37 72.123 7.472 3.141 1.00 0.00 N ATOM 577 CA PRO A 37 71.209 7.671 4.306 1.00 0.00 C ATOM 578 C PRO A 37 69.945 6.797 4.211 1.00 0.00 C ATOM 579 O PRO A 37 69.178 6.934 3.257 1.00 0.00 O ATOM 580 CB PRO A 37 70.836 9.152 4.222 1.00 0.00 C ATOM 581 CG PRO A 37 70.961 9.507 2.779 1.00 0.00 C ATOM 582 CD PRO A 37 72.066 8.618 2.209 1.00 0.00 C ATOM 0 HA PRO A 37 71.684 7.391 5.246 1.00 0.00 H new ATOM 0 HB2 PRO A 37 69.822 9.323 4.583 1.00 0.00 H new ATOM 0 HB3 PRO A 37 71.500 9.760 4.836 1.00 0.00 H new ATOM 0 HG2 PRO A 37 70.020 9.340 2.255 1.00 0.00 H new ATOM 0 HG3 PRO A 37 71.210 10.561 2.659 1.00 0.00 H new ATOM 0 HD2 PRO A 37 71.834 8.295 1.194 1.00 0.00 H new ATOM 0 HD3 PRO A 37 73.019 9.145 2.166 1.00 0.00 H new ATOM 590 N PRO A 38 69.702 5.913 5.159 1.00 0.00 N ATOM 591 CA PRO A 38 68.493 5.035 5.131 1.00 0.00 C ATOM 592 C PRO A 38 67.223 5.799 4.754 1.00 0.00 C ATOM 593 O PRO A 38 66.207 5.195 4.407 1.00 0.00 O ATOM 594 CB PRO A 38 68.398 4.518 6.565 1.00 0.00 C ATOM 595 CG PRO A 38 69.801 4.505 7.069 1.00 0.00 C ATOM 596 CD PRO A 38 70.532 5.641 6.352 1.00 0.00 C ATOM 0 HA PRO A 38 68.581 4.247 4.383 1.00 0.00 H new ATOM 0 HB2 PRO A 38 67.766 5.163 7.175 1.00 0.00 H new ATOM 0 HB3 PRO A 38 67.959 3.521 6.596 1.00 0.00 H new ATOM 0 HG2 PRO A 38 69.826 4.649 8.149 1.00 0.00 H new ATOM 0 HG3 PRO A 38 70.278 3.547 6.864 1.00 0.00 H new ATOM 0 HD2 PRO A 38 70.617 6.523 6.987 1.00 0.00 H new ATOM 0 HD3 PRO A 38 71.545 5.350 6.074 1.00 0.00 H new ATOM 604 N ASP A 39 67.284 7.124 4.838 1.00 0.00 N ATOM 605 CA ASP A 39 66.126 7.958 4.518 1.00 0.00 C ATOM 606 C ASP A 39 65.748 7.843 3.044 1.00 0.00 C ATOM 607 O ASP A 39 64.571 7.924 2.693 1.00 0.00 O ATOM 608 CB ASP A 39 66.433 9.418 4.852 1.00 0.00 C ATOM 609 CG ASP A 39 65.136 10.213 4.960 1.00 0.00 C ATOM 610 OD1 ASP A 39 64.183 9.848 4.290 1.00 0.00 O ATOM 611 OD2 ASP A 39 65.114 11.175 5.710 1.00 0.00 O ATOM 0 H ASP A 39 68.115 7.642 5.122 1.00 0.00 H new ATOM 0 HA ASP A 39 65.284 7.608 5.115 1.00 0.00 H new ATOM 0 HB2 ASP A 39 66.984 9.477 5.791 1.00 0.00 H new ATOM 0 HB3 ASP A 39 67.070 9.850 4.080 1.00 0.00 H new ATOM 616 N GLN A 40 66.749 7.657 2.188 1.00 0.00 N ATOM 617 CA GLN A 40 66.507 7.538 0.752 1.00 0.00 C ATOM 618 C GLN A 40 66.818 6.123 0.273 1.00 0.00 C ATOM 619 O GLN A 40 66.335 5.688 -0.773 1.00 0.00 O ATOM 620 CB GLN A 40 67.382 8.541 -0.005 1.00 0.00 C ATOM 621 CG GLN A 40 67.058 9.957 0.473 1.00 0.00 C ATOM 622 CD GLN A 40 68.346 10.708 0.798 1.00 0.00 C ATOM 623 OE1 GLN A 40 69.248 10.787 -0.035 1.00 0.00 O ATOM 624 NE2 GLN A 40 68.482 11.273 1.967 1.00 0.00 N ATOM 0 H GLN A 40 67.729 7.586 2.460 1.00 0.00 H new ATOM 0 HA GLN A 40 65.456 7.751 0.557 1.00 0.00 H new ATOM 0 HB2 GLN A 40 68.436 8.321 0.163 1.00 0.00 H new ATOM 0 HB3 GLN A 40 67.206 8.458 -1.077 1.00 0.00 H new ATOM 0 HG2 GLN A 40 66.501 10.491 -0.297 1.00 0.00 H new ATOM 0 HG3 GLN A 40 66.420 9.914 1.356 1.00 0.00 H new ATOM 0 HE21 GLN A 40 67.733 11.206 2.656 1.00 0.00 H new ATOM 0 HE22 GLN A 40 69.337 11.781 2.191 1.00 0.00 H new ATOM 633 N GLN A 41 67.628 5.415 1.049 1.00 0.00 N ATOM 634 CA GLN A 41 68.009 4.051 0.711 1.00 0.00 C ATOM 635 C GLN A 41 66.777 3.164 0.553 1.00 0.00 C ATOM 636 O GLN A 41 65.867 3.193 1.381 1.00 0.00 O ATOM 637 CB GLN A 41 68.902 3.497 1.818 1.00 0.00 C ATOM 638 CG GLN A 41 69.945 2.558 1.226 1.00 0.00 C ATOM 639 CD GLN A 41 70.411 1.557 2.278 1.00 0.00 C ATOM 640 OE1 GLN A 41 70.322 0.348 2.068 1.00 0.00 O ATOM 641 NE2 GLN A 41 70.915 1.993 3.400 1.00 0.00 N ATOM 0 H GLN A 41 68.034 5.763 1.917 1.00 0.00 H new ATOM 0 HA GLN A 41 68.546 4.059 -0.237 1.00 0.00 H new ATOM 0 HB2 GLN A 41 69.394 4.316 2.343 1.00 0.00 H new ATOM 0 HB3 GLN A 41 68.297 2.965 2.552 1.00 0.00 H new ATOM 0 HG2 GLN A 41 69.525 2.029 0.371 1.00 0.00 H new ATOM 0 HG3 GLN A 41 70.795 3.133 0.859 1.00 0.00 H new ATOM 0 HE21 GLN A 41 70.987 2.996 3.571 1.00 0.00 H new ATOM 0 HE22 GLN A 41 71.237 1.331 4.106 1.00 0.00 H new ATOM 650 N ARG A 42 66.761 2.373 -0.517 1.00 0.00 N ATOM 651 CA ARG A 42 65.643 1.474 -0.783 1.00 0.00 C ATOM 652 C ARG A 42 66.150 0.075 -1.119 1.00 0.00 C ATOM 653 O ARG A 42 67.044 -0.086 -1.949 1.00 0.00 O ATOM 654 CB ARG A 42 64.812 2.007 -1.947 1.00 0.00 C ATOM 655 CG ARG A 42 63.325 1.899 -1.603 1.00 0.00 C ATOM 656 CD ARG A 42 62.494 2.385 -2.787 1.00 0.00 C ATOM 657 NE ARG A 42 61.095 2.523 -2.399 1.00 0.00 N ATOM 658 CZ ARG A 42 60.123 2.479 -3.305 1.00 0.00 C ATOM 659 NH1 ARG A 42 58.878 2.603 -2.932 1.00 0.00 N ATOM 660 NH2 ARG A 42 60.413 2.312 -4.565 1.00 0.00 N ATOM 0 H ARG A 42 67.507 2.337 -1.211 1.00 0.00 H new ATOM 0 HA ARG A 42 65.023 1.420 0.112 1.00 0.00 H new ATOM 0 HB2 ARG A 42 65.075 3.045 -2.150 1.00 0.00 H new ATOM 0 HB3 ARG A 42 65.029 1.440 -2.852 1.00 0.00 H new ATOM 0 HG2 ARG A 42 63.070 0.866 -1.365 1.00 0.00 H new ATOM 0 HG3 ARG A 42 63.101 2.495 -0.718 1.00 0.00 H new ATOM 0 HD2 ARG A 42 62.877 3.342 -3.140 1.00 0.00 H new ATOM 0 HD3 ARG A 42 62.581 1.681 -3.615 1.00 0.00 H new ATOM 0 HE ARG A 42 60.858 2.656 -1.416 1.00 0.00 H new ATOM 0 HH11 ARG A 42 58.652 2.734 -1.946 1.00 0.00 H new ATOM 0 HH12 ARG A 42 58.132 2.569 -3.627 1.00 0.00 H new ATOM 0 HH21 ARG A 42 61.386 2.215 -4.856 1.00 0.00 H new ATOM 0 HH22 ARG A 42 59.667 2.278 -5.260 1.00 0.00 H new ATOM 674 N LEU A 43 65.570 -0.932 -0.470 1.00 0.00 N ATOM 675 CA LEU A 43 65.968 -2.317 -0.706 1.00 0.00 C ATOM 676 C LEU A 43 64.845 -3.084 -1.398 1.00 0.00 C ATOM 677 O LEU A 43 63.742 -3.206 -0.865 1.00 0.00 O ATOM 678 CB LEU A 43 66.307 -2.998 0.623 1.00 0.00 C ATOM 679 CG LEU A 43 67.392 -2.198 1.350 1.00 0.00 C ATOM 680 CD1 LEU A 43 67.693 -2.855 2.697 1.00 0.00 C ATOM 681 CD2 LEU A 43 68.669 -2.168 0.505 1.00 0.00 C ATOM 0 H LEU A 43 64.827 -0.816 0.219 1.00 0.00 H new ATOM 0 HA LEU A 43 66.848 -2.318 -1.350 1.00 0.00 H new ATOM 0 HB2 LEU A 43 65.415 -3.068 1.245 1.00 0.00 H new ATOM 0 HB3 LEU A 43 66.651 -4.017 0.444 1.00 0.00 H new ATOM 0 HG LEU A 43 67.040 -1.179 1.509 1.00 0.00 H new ATOM 0 HD11 LEU A 43 68.465 -2.286 3.215 1.00 0.00 H new ATOM 0 HD12 LEU A 43 66.787 -2.873 3.303 1.00 0.00 H new ATOM 0 HD13 LEU A 43 68.041 -3.875 2.535 1.00 0.00 H new ATOM 0 HD21 LEU A 43 69.437 -1.598 1.027 1.00 0.00 H new ATOM 0 HD22 LEU A 43 69.021 -3.187 0.342 1.00 0.00 H new ATOM 0 HD23 LEU A 43 68.459 -1.698 -0.456 1.00 0.00 H new ATOM 693 N ILE A 44 65.139 -3.599 -2.590 1.00 0.00 N ATOM 694 CA ILE A 44 64.155 -4.356 -3.359 1.00 0.00 C ATOM 695 C ILE A 44 64.581 -5.818 -3.465 1.00 0.00 C ATOM 696 O ILE A 44 65.766 -6.121 -3.600 1.00 0.00 O ATOM 697 CB ILE A 44 64.018 -3.755 -4.762 1.00 0.00 C ATOM 698 CG1 ILE A 44 63.013 -2.599 -4.728 1.00 0.00 C ATOM 699 CG2 ILE A 44 63.519 -4.822 -5.740 1.00 0.00 C ATOM 700 CD1 ILE A 44 63.490 -1.528 -3.746 1.00 0.00 C ATOM 0 H ILE A 44 66.048 -3.506 -3.043 1.00 0.00 H new ATOM 0 HA ILE A 44 63.193 -4.303 -2.849 1.00 0.00 H new ATOM 0 HB ILE A 44 64.992 -3.390 -5.088 1.00 0.00 H new ATOM 0 HG12 ILE A 44 62.904 -2.170 -5.724 1.00 0.00 H new ATOM 0 HG13 ILE A 44 62.031 -2.967 -4.431 1.00 0.00 H new ATOM 0 HG21 ILE A 44 63.424 -4.388 -6.735 1.00 0.00 H new ATOM 0 HG22 ILE A 44 64.230 -5.648 -5.771 1.00 0.00 H new ATOM 0 HG23 ILE A 44 62.548 -5.191 -5.411 1.00 0.00 H new ATOM 0 HD11 ILE A 44 62.772 -0.708 -3.725 1.00 0.00 H new ATOM 0 HD12 ILE A 44 63.576 -1.961 -2.749 1.00 0.00 H new ATOM 0 HD13 ILE A 44 64.462 -1.151 -4.063 1.00 0.00 H new ATOM 712 N PHE A 45 63.606 -6.720 -3.405 1.00 0.00 N ATOM 713 CA PHE A 45 63.893 -8.147 -3.499 1.00 0.00 C ATOM 714 C PHE A 45 62.769 -8.873 -4.228 1.00 0.00 C ATOM 715 O PHE A 45 61.616 -8.846 -3.798 1.00 0.00 O ATOM 716 CB PHE A 45 64.065 -8.742 -2.099 1.00 0.00 C ATOM 717 CG PHE A 45 64.404 -10.209 -2.216 1.00 0.00 C ATOM 718 CD1 PHE A 45 63.487 -11.179 -1.792 1.00 0.00 C ATOM 719 CD2 PHE A 45 65.636 -10.599 -2.753 1.00 0.00 C ATOM 720 CE1 PHE A 45 63.804 -12.538 -1.903 1.00 0.00 C ATOM 721 CE2 PHE A 45 65.954 -11.958 -2.864 1.00 0.00 C ATOM 722 CZ PHE A 45 65.037 -12.927 -2.440 1.00 0.00 C ATOM 0 H PHE A 45 62.618 -6.491 -3.293 1.00 0.00 H new ATOM 0 HA PHE A 45 64.818 -8.274 -4.062 1.00 0.00 H new ATOM 0 HB2 PHE A 45 64.855 -8.216 -1.563 1.00 0.00 H new ATOM 0 HB3 PHE A 45 63.149 -8.614 -1.522 1.00 0.00 H new ATOM 0 HD1 PHE A 45 62.535 -10.879 -1.379 1.00 0.00 H new ATOM 0 HD2 PHE A 45 66.342 -9.851 -3.082 1.00 0.00 H new ATOM 0 HE1 PHE A 45 63.098 -13.286 -1.575 1.00 0.00 H new ATOM 0 HE2 PHE A 45 66.906 -12.258 -3.276 1.00 0.00 H new ATOM 0 HZ PHE A 45 65.281 -13.975 -2.527 1.00 0.00 H new ATOM 732 N ALA A 46 63.111 -9.522 -5.336 1.00 0.00 N ATOM 733 CA ALA A 46 62.123 -10.254 -6.119 1.00 0.00 C ATOM 734 C ALA A 46 61.131 -9.289 -6.763 1.00 0.00 C ATOM 735 O ALA A 46 59.962 -9.624 -6.955 1.00 0.00 O ATOM 736 CB ALA A 46 61.371 -11.239 -5.223 1.00 0.00 C ATOM 0 H ALA A 46 64.059 -9.556 -5.710 1.00 0.00 H new ATOM 0 HA ALA A 46 62.643 -10.803 -6.904 1.00 0.00 H new ATOM 0 HB1 ALA A 46 60.635 -11.782 -5.816 1.00 0.00 H new ATOM 0 HB2 ALA A 46 62.077 -11.945 -4.786 1.00 0.00 H new ATOM 0 HB3 ALA A 46 60.864 -10.693 -4.427 1.00 0.00 H new ATOM 742 N GLY A 47 61.606 -8.094 -7.094 1.00 0.00 N ATOM 743 CA GLY A 47 60.752 -7.089 -7.715 1.00 0.00 C ATOM 744 C GLY A 47 59.826 -6.449 -6.686 1.00 0.00 C ATOM 745 O GLY A 47 59.145 -5.466 -6.976 1.00 0.00 O ATOM 0 H GLY A 47 62.571 -7.799 -6.944 1.00 0.00 H new ATOM 0 HA2 GLY A 47 61.368 -6.321 -8.182 1.00 0.00 H new ATOM 0 HA3 GLY A 47 60.160 -7.548 -8.507 1.00 0.00 H new ATOM 749 N LYS A 48 59.806 -7.016 -5.483 1.00 0.00 N ATOM 750 CA LYS A 48 58.959 -6.492 -4.419 1.00 0.00 C ATOM 751 C LYS A 48 59.747 -5.539 -3.527 1.00 0.00 C ATOM 752 O LYS A 48 60.929 -5.758 -3.257 1.00 0.00 O ATOM 753 CB LYS A 48 58.409 -7.646 -3.576 1.00 0.00 C ATOM 754 CG LYS A 48 56.881 -7.576 -3.549 1.00 0.00 C ATOM 755 CD LYS A 48 56.338 -8.623 -2.573 1.00 0.00 C ATOM 756 CE LYS A 48 56.771 -10.019 -3.024 1.00 0.00 C ATOM 757 NZ LYS A 48 55.806 -11.029 -2.504 1.00 0.00 N ATOM 0 H LYS A 48 60.362 -7.831 -5.223 1.00 0.00 H new ATOM 0 HA LYS A 48 58.132 -5.946 -4.873 1.00 0.00 H new ATOM 0 HB2 LYS A 48 58.733 -8.600 -3.992 1.00 0.00 H new ATOM 0 HB3 LYS A 48 58.804 -7.590 -2.562 1.00 0.00 H new ATOM 0 HG2 LYS A 48 56.557 -6.580 -3.247 1.00 0.00 H new ATOM 0 HG3 LYS A 48 56.481 -7.752 -4.547 1.00 0.00 H new ATOM 0 HD2 LYS A 48 56.708 -8.424 -1.567 1.00 0.00 H new ATOM 0 HD3 LYS A 48 55.250 -8.565 -2.530 1.00 0.00 H new ATOM 0 HE2 LYS A 48 56.812 -10.065 -4.112 1.00 0.00 H new ATOM 0 HE3 LYS A 48 57.774 -10.236 -2.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 56.099 -11.979 -2.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 55.789 -10.990 -1.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 54.856 -10.824 -2.874 1.00 0.00 H new ATOM 771 N GLN A 49 59.086 -4.481 -3.070 1.00 0.00 N ATOM 772 CA GLN A 49 59.734 -3.499 -2.209 1.00 0.00 C ATOM 773 C GLN A 49 59.671 -3.943 -0.749 1.00 0.00 C ATOM 774 O GLN A 49 58.644 -4.440 -0.287 1.00 0.00 O ATOM 775 CB GLN A 49 59.051 -2.139 -2.361 1.00 0.00 C ATOM 776 CG GLN A 49 59.888 -1.064 -1.665 1.00 0.00 C ATOM 777 CD GLN A 49 58.999 -0.208 -0.770 1.00 0.00 C ATOM 778 OE1 GLN A 49 58.946 -0.421 0.441 1.00 0.00 O ATOM 779 NE2 GLN A 49 58.292 0.755 -1.297 1.00 0.00 N ATOM 0 H GLN A 49 58.108 -4.282 -3.280 1.00 0.00 H new ATOM 0 HA GLN A 49 60.779 -3.415 -2.507 1.00 0.00 H new ATOM 0 HB2 GLN A 49 58.933 -1.896 -3.417 1.00 0.00 H new ATOM 0 HB3 GLN A 49 58.051 -2.172 -1.928 1.00 0.00 H new ATOM 0 HG2 GLN A 49 60.674 -1.531 -1.071 1.00 0.00 H new ATOM 0 HG3 GLN A 49 60.381 -0.437 -2.408 1.00 0.00 H new ATOM 0 HE21 GLN A 49 58.337 0.930 -2.301 1.00 0.00 H new ATOM 0 HE22 GLN A 49 57.695 1.332 -0.705 1.00 0.00 H new ATOM 788 N LEU A 50 60.774 -3.762 -0.032 1.00 0.00 N ATOM 789 CA LEU A 50 60.830 -4.150 1.374 1.00 0.00 C ATOM 790 C LEU A 50 60.502 -2.964 2.274 1.00 0.00 C ATOM 791 O LEU A 50 60.701 -1.810 1.895 1.00 0.00 O ATOM 792 CB LEU A 50 62.223 -4.683 1.718 1.00 0.00 C ATOM 793 CG LEU A 50 62.633 -5.748 0.699 1.00 0.00 C ATOM 794 CD1 LEU A 50 64.020 -6.289 1.054 1.00 0.00 C ATOM 795 CD2 LEU A 50 61.620 -6.893 0.722 1.00 0.00 C ATOM 0 H LEU A 50 61.635 -3.353 -0.396 1.00 0.00 H new ATOM 0 HA LEU A 50 60.091 -4.933 1.541 1.00 0.00 H new ATOM 0 HB2 LEU A 50 62.946 -3.867 1.717 1.00 0.00 H new ATOM 0 HB3 LEU A 50 62.223 -5.107 2.722 1.00 0.00 H new ATOM 0 HG LEU A 50 62.659 -5.305 -0.297 1.00 0.00 H new ATOM 0 HD11 LEU A 50 64.311 -7.048 0.328 1.00 0.00 H new ATOM 0 HD12 LEU A 50 64.744 -5.474 1.038 1.00 0.00 H new ATOM 0 HD13 LEU A 50 63.994 -6.731 2.050 1.00 0.00 H new ATOM 0 HD21 LEU A 50 61.912 -7.652 -0.004 1.00 0.00 H new ATOM 0 HD22 LEU A 50 61.593 -7.335 1.718 1.00 0.00 H new ATOM 0 HD23 LEU A 50 60.632 -6.510 0.468 1.00 0.00 H new ATOM 807 N GLU A 51 60.000 -3.261 3.469 1.00 0.00 N ATOM 808 CA GLU A 51 59.646 -2.219 4.429 1.00 0.00 C ATOM 809 C GLU A 51 60.304 -2.492 5.775 1.00 0.00 C ATOM 810 O GLU A 51 60.607 -3.638 6.109 1.00 0.00 O ATOM 811 CB GLU A 51 58.128 -2.162 4.600 1.00 0.00 C ATOM 812 CG GLU A 51 57.464 -2.037 3.228 1.00 0.00 C ATOM 813 CD GLU A 51 56.272 -1.087 3.309 1.00 0.00 C ATOM 814 OE1 GLU A 51 55.215 -1.455 2.823 1.00 0.00 O ATOM 815 OE2 GLU A 51 56.436 -0.007 3.850 1.00 0.00 O ATOM 0 H GLU A 51 59.829 -4.212 3.796 1.00 0.00 H new ATOM 0 HA GLU A 51 60.003 -1.261 4.050 1.00 0.00 H new ATOM 0 HB2 GLU A 51 57.775 -3.060 5.106 1.00 0.00 H new ATOM 0 HB3 GLU A 51 57.854 -1.314 5.227 1.00 0.00 H new ATOM 0 HG2 GLU A 51 58.185 -1.668 2.498 1.00 0.00 H new ATOM 0 HG3 GLU A 51 57.135 -3.017 2.883 1.00 0.00 H new ATOM 822 N ASP A 52 60.523 -1.432 6.540 1.00 0.00 N ATOM 823 CA ASP A 52 61.146 -1.560 7.846 1.00 0.00 C ATOM 824 C ASP A 52 60.189 -2.229 8.830 1.00 0.00 C ATOM 825 O ASP A 52 58.972 -2.087 8.717 1.00 0.00 O ATOM 826 CB ASP A 52 61.537 -0.177 8.366 1.00 0.00 C ATOM 827 CG ASP A 52 60.879 0.909 7.522 1.00 0.00 C ATOM 828 OD1 ASP A 52 59.698 1.142 7.712 1.00 0.00 O ATOM 829 OD2 ASP A 52 61.566 1.491 6.699 1.00 0.00 O ATOM 0 H ASP A 52 60.279 -0.477 6.278 1.00 0.00 H new ATOM 0 HA ASP A 52 62.038 -2.179 7.751 1.00 0.00 H new ATOM 0 HB2 ASP A 52 61.233 -0.073 9.407 1.00 0.00 H new ATOM 0 HB3 ASP A 52 62.621 -0.063 8.338 1.00 0.00 H new ATOM 834 N GLY A 53 60.751 -2.959 9.790 1.00 0.00 N ATOM 835 CA GLY A 53 59.941 -3.651 10.790 1.00 0.00 C ATOM 836 C GLY A 53 60.023 -5.162 10.600 1.00 0.00 C ATOM 837 O GLY A 53 60.017 -5.920 11.569 1.00 0.00 O ATOM 0 H GLY A 53 61.757 -3.087 9.897 1.00 0.00 H new ATOM 0 HA2 GLY A 53 60.285 -3.386 11.790 1.00 0.00 H new ATOM 0 HA3 GLY A 53 58.904 -3.326 10.713 1.00 0.00 H new ATOM 841 N ARG A 54 60.110 -5.588 9.346 1.00 0.00 N ATOM 842 CA ARG A 54 60.203 -7.011 9.036 1.00 0.00 C ATOM 843 C ARG A 54 61.663 -7.439 9.017 1.00 0.00 C ATOM 844 O ARG A 54 62.537 -6.654 8.652 1.00 0.00 O ATOM 845 CB ARG A 54 59.572 -7.304 7.674 1.00 0.00 C ATOM 846 CG ARG A 54 58.648 -6.155 7.264 1.00 0.00 C ATOM 847 CD ARG A 54 57.599 -5.920 8.354 1.00 0.00 C ATOM 848 NE ARG A 54 56.273 -5.828 7.755 1.00 0.00 N ATOM 849 CZ ARG A 54 55.227 -5.401 8.455 1.00 0.00 C ATOM 850 NH1 ARG A 54 54.051 -5.327 7.892 1.00 0.00 N ATOM 851 NH2 ARG A 54 55.375 -5.053 9.704 1.00 0.00 N ATOM 0 H ARG A 54 60.118 -4.974 8.531 1.00 0.00 H new ATOM 0 HA ARG A 54 59.666 -7.569 9.803 1.00 0.00 H new ATOM 0 HB2 ARG A 54 60.352 -7.439 6.925 1.00 0.00 H new ATOM 0 HB3 ARG A 54 59.008 -8.236 7.719 1.00 0.00 H new ATOM 0 HG2 ARG A 54 59.230 -5.247 7.105 1.00 0.00 H new ATOM 0 HG3 ARG A 54 58.158 -6.390 6.319 1.00 0.00 H new ATOM 0 HD2 ARG A 54 57.625 -6.735 9.078 1.00 0.00 H new ATOM 0 HD3 ARG A 54 57.826 -5.003 8.898 1.00 0.00 H new ATOM 0 HE ARG A 54 56.146 -6.097 6.779 1.00 0.00 H new ATOM 0 HH11 ARG A 54 53.935 -5.597 6.915 1.00 0.00 H new ATOM 0 HH12 ARG A 54 53.248 -4.999 8.429 1.00 0.00 H new ATOM 0 HH21 ARG A 54 56.294 -5.109 10.143 1.00 0.00 H new ATOM 0 HH22 ARG A 54 54.572 -4.725 10.241 1.00 0.00 H new ATOM 865 N THR A 55 61.926 -8.681 9.419 1.00 0.00 N ATOM 866 CA THR A 55 63.296 -9.177 9.448 1.00 0.00 C ATOM 867 C THR A 55 63.590 -10.098 8.283 1.00 0.00 C ATOM 868 O THR A 55 62.689 -10.519 7.557 1.00 0.00 O ATOM 869 CB THR A 55 63.573 -9.894 10.764 1.00 0.00 C ATOM 870 OG1 THR A 55 62.834 -11.107 10.817 1.00 0.00 O ATOM 871 CG2 THR A 55 63.160 -8.981 11.906 1.00 0.00 C ATOM 0 H THR A 55 61.220 -9.351 9.724 1.00 0.00 H new ATOM 0 HA THR A 55 63.956 -8.314 9.361 1.00 0.00 H new ATOM 0 HB THR A 55 64.634 -10.132 10.845 1.00 0.00 H new ATOM 0 HG1 THR A 55 61.925 -10.923 11.134 1.00 0.00 H new ATOM 0 HG21 THR A 55 63.351 -9.478 12.857 1.00 0.00 H new ATOM 0 HG22 THR A 55 63.735 -8.056 11.858 1.00 0.00 H new ATOM 0 HG23 THR A 55 62.097 -8.753 11.823 1.00 0.00 H new ATOM 879 N LEU A 56 64.871 -10.405 8.112 1.00 0.00 N ATOM 880 CA LEU A 56 65.292 -11.274 7.032 1.00 0.00 C ATOM 881 C LEU A 56 64.557 -12.605 7.139 1.00 0.00 C ATOM 882 O LEU A 56 64.228 -13.229 6.130 1.00 0.00 O ATOM 883 CB LEU A 56 66.807 -11.524 7.108 1.00 0.00 C ATOM 884 CG LEU A 56 67.594 -10.242 6.784 1.00 0.00 C ATOM 885 CD1 LEU A 56 69.091 -10.535 6.875 1.00 0.00 C ATOM 886 CD2 LEU A 56 67.282 -9.776 5.362 1.00 0.00 C ATOM 0 H LEU A 56 65.628 -10.065 8.706 1.00 0.00 H new ATOM 0 HA LEU A 56 65.058 -10.795 6.081 1.00 0.00 H new ATOM 0 HB2 LEU A 56 67.072 -11.875 8.105 1.00 0.00 H new ATOM 0 HB3 LEU A 56 67.085 -12.312 6.408 1.00 0.00 H new ATOM 0 HG LEU A 56 67.310 -9.466 7.495 1.00 0.00 H new ATOM 0 HD11 LEU A 56 69.653 -9.630 6.646 1.00 0.00 H new ATOM 0 HD12 LEU A 56 69.336 -10.869 7.883 1.00 0.00 H new ATOM 0 HD13 LEU A 56 69.353 -11.315 6.160 1.00 0.00 H new ATOM 0 HD21 LEU A 56 67.845 -8.868 5.145 1.00 0.00 H new ATOM 0 HD22 LEU A 56 67.563 -10.555 4.654 1.00 0.00 H new ATOM 0 HD23 LEU A 56 66.215 -9.572 5.272 1.00 0.00 H new ATOM 898 N SER A 57 64.303 -13.031 8.374 1.00 0.00 N ATOM 899 CA SER A 57 63.603 -14.290 8.608 1.00 0.00 C ATOM 900 C SER A 57 62.131 -14.175 8.219 1.00 0.00 C ATOM 901 O SER A 57 61.513 -15.154 7.802 1.00 0.00 O ATOM 902 CB SER A 57 63.713 -14.680 10.081 1.00 0.00 C ATOM 903 OG SER A 57 64.408 -15.915 10.191 1.00 0.00 O ATOM 0 H SER A 57 64.569 -12.528 9.221 1.00 0.00 H new ATOM 0 HA SER A 57 64.067 -15.059 7.990 1.00 0.00 H new ATOM 0 HB2 SER A 57 64.239 -13.903 10.636 1.00 0.00 H new ATOM 0 HB3 SER A 57 62.719 -14.769 10.520 1.00 0.00 H new ATOM 0 HG SER A 57 64.481 -16.166 11.135 1.00 0.00 H new ATOM 909 N ASP A 58 61.571 -12.978 8.367 1.00 0.00 N ATOM 910 CA ASP A 58 60.168 -12.753 8.033 1.00 0.00 C ATOM 911 C ASP A 58 59.965 -12.735 6.521 1.00 0.00 C ATOM 912 O ASP A 58 58.954 -13.227 6.016 1.00 0.00 O ATOM 913 CB ASP A 58 59.694 -11.426 8.624 1.00 0.00 C ATOM 914 CG ASP A 58 59.924 -11.417 10.132 1.00 0.00 C ATOM 915 OD1 ASP A 58 60.392 -10.409 10.635 1.00 0.00 O ATOM 916 OD2 ASP A 58 59.632 -12.421 10.761 1.00 0.00 O ATOM 0 H ASP A 58 62.063 -12.154 8.713 1.00 0.00 H new ATOM 0 HA ASP A 58 59.585 -13.571 8.456 1.00 0.00 H new ATOM 0 HB2 ASP A 58 60.232 -10.599 8.161 1.00 0.00 H new ATOM 0 HB3 ASP A 58 58.636 -11.279 8.408 1.00 0.00 H new ATOM 921 N TYR A 59 60.929 -12.171 5.803 1.00 0.00 N ATOM 922 CA TYR A 59 60.839 -12.102 4.350 1.00 0.00 C ATOM 923 C TYR A 59 61.336 -13.404 3.738 1.00 0.00 C ATOM 924 O TYR A 59 61.404 -13.547 2.518 1.00 0.00 O ATOM 925 CB TYR A 59 61.675 -10.932 3.825 1.00 0.00 C ATOM 926 CG TYR A 59 60.784 -9.730 3.614 1.00 0.00 C ATOM 927 CD1 TYR A 59 59.778 -9.768 2.642 1.00 0.00 C ATOM 928 CD2 TYR A 59 60.966 -8.578 4.389 1.00 0.00 C ATOM 929 CE1 TYR A 59 58.953 -8.654 2.443 1.00 0.00 C ATOM 930 CE2 TYR A 59 60.140 -7.464 4.191 1.00 0.00 C ATOM 931 CZ TYR A 59 59.135 -7.502 3.219 1.00 0.00 C ATOM 932 OH TYR A 59 58.321 -6.405 3.024 1.00 0.00 O ATOM 0 H TYR A 59 61.774 -11.759 6.198 1.00 0.00 H new ATOM 0 HA TYR A 59 59.797 -11.948 4.069 1.00 0.00 H new ATOM 0 HB2 TYR A 59 62.467 -10.691 4.534 1.00 0.00 H new ATOM 0 HB3 TYR A 59 62.159 -11.208 2.888 1.00 0.00 H new ATOM 0 HD1 TYR A 59 59.638 -10.657 2.045 1.00 0.00 H new ATOM 0 HD2 TYR A 59 61.743 -8.548 5.139 1.00 0.00 H new ATOM 0 HE1 TYR A 59 58.177 -8.683 1.692 1.00 0.00 H new ATOM 0 HE2 TYR A 59 60.279 -6.576 4.789 1.00 0.00 H new ATOM 0 HH TYR A 59 58.410 -5.792 3.784 1.00 0.00 H new ATOM 942 N ASN A 60 61.680 -14.350 4.603 1.00 0.00 N ATOM 943 CA ASN A 60 62.168 -15.646 4.154 1.00 0.00 C ATOM 944 C ASN A 60 63.448 -15.486 3.341 1.00 0.00 C ATOM 945 O ASN A 60 63.759 -16.317 2.487 1.00 0.00 O ATOM 946 CB ASN A 60 61.101 -16.339 3.306 1.00 0.00 C ATOM 947 CG ASN A 60 59.713 -15.988 3.831 1.00 0.00 C ATOM 948 OD1 ASN A 60 59.195 -14.909 3.545 1.00 0.00 O ATOM 949 ND2 ASN A 60 59.081 -16.836 4.595 1.00 0.00 N ATOM 0 H ASN A 60 61.630 -14.244 5.616 1.00 0.00 H new ATOM 0 HA ASN A 60 62.386 -16.256 5.031 1.00 0.00 H new ATOM 0 HB2 ASN A 60 61.194 -16.030 2.265 1.00 0.00 H new ATOM 0 HB3 ASN A 60 61.247 -17.419 3.333 1.00 0.00 H new ATOM 0 HD21 ASN A 60 58.156 -16.605 4.957 1.00 0.00 H new ATOM 0 HD22 ASN A 60 59.512 -17.730 4.831 1.00 0.00 H new ATOM 956 N ILE A 61 64.190 -14.417 3.613 1.00 0.00 N ATOM 957 CA ILE A 61 65.436 -14.170 2.899 1.00 0.00 C ATOM 958 C ILE A 61 66.484 -15.202 3.297 1.00 0.00 C ATOM 959 O ILE A 61 66.547 -15.622 4.453 1.00 0.00 O ATOM 960 CB ILE A 61 65.932 -12.748 3.187 1.00 0.00 C ATOM 961 CG1 ILE A 61 65.204 -11.786 2.235 1.00 0.00 C ATOM 962 CG2 ILE A 61 67.444 -12.664 2.939 1.00 0.00 C ATOM 963 CD1 ILE A 61 65.261 -10.351 2.765 1.00 0.00 C ATOM 0 H ILE A 61 63.953 -13.716 4.315 1.00 0.00 H new ATOM 0 HA ILE A 61 65.258 -14.262 1.828 1.00 0.00 H new ATOM 0 HB ILE A 61 65.730 -12.484 4.225 1.00 0.00 H new ATOM 0 HG12 ILE A 61 65.660 -11.832 1.246 1.00 0.00 H new ATOM 0 HG13 ILE A 61 64.165 -12.096 2.122 1.00 0.00 H new ATOM 0 HG21 ILE A 61 67.791 -11.651 3.145 1.00 0.00 H new ATOM 0 HG22 ILE A 61 67.960 -13.365 3.595 1.00 0.00 H new ATOM 0 HG23 ILE A 61 67.657 -12.916 1.900 1.00 0.00 H new ATOM 0 HD11 ILE A 61 64.739 -9.687 2.075 1.00 0.00 H new ATOM 0 HD12 ILE A 61 64.783 -10.305 3.744 1.00 0.00 H new ATOM 0 HD13 ILE A 61 66.301 -10.037 2.854 1.00 0.00 H new ATOM 975 N GLN A 62 67.290 -15.624 2.329 1.00 0.00 N ATOM 976 CA GLN A 62 68.315 -16.630 2.586 1.00 0.00 C ATOM 977 C GLN A 62 69.634 -15.983 2.988 1.00 0.00 C ATOM 978 O GLN A 62 69.730 -14.764 3.119 1.00 0.00 O ATOM 979 CB GLN A 62 68.529 -17.485 1.335 1.00 0.00 C ATOM 980 CG GLN A 62 67.410 -18.521 1.225 1.00 0.00 C ATOM 981 CD GLN A 62 67.610 -19.373 -0.025 1.00 0.00 C ATOM 982 OE1 GLN A 62 67.821 -18.839 -1.113 1.00 0.00 O ATOM 983 NE2 GLN A 62 67.553 -20.672 0.068 1.00 0.00 N ATOM 0 H GLN A 62 67.255 -15.289 1.366 1.00 0.00 H new ATOM 0 HA GLN A 62 67.973 -17.257 3.409 1.00 0.00 H new ATOM 0 HB2 GLN A 62 68.541 -16.852 0.447 1.00 0.00 H new ATOM 0 HB3 GLN A 62 69.497 -17.984 1.384 1.00 0.00 H new ATOM 0 HG2 GLN A 62 67.403 -19.156 2.111 1.00 0.00 H new ATOM 0 HG3 GLN A 62 66.443 -18.021 1.183 1.00 0.00 H new ATOM 0 HE21 GLN A 62 67.378 -21.111 0.972 1.00 0.00 H new ATOM 0 HE22 GLN A 62 67.684 -21.249 -0.763 1.00 0.00 H new ATOM 992 N LYS A 63 70.646 -16.819 3.192 1.00 0.00 N ATOM 993 CA LYS A 63 71.962 -16.338 3.588 1.00 0.00 C ATOM 994 C LYS A 63 72.831 -16.062 2.375 1.00 0.00 C ATOM 995 O LYS A 63 73.924 -15.540 2.510 1.00 0.00 O ATOM 996 CB LYS A 63 72.650 -17.376 4.471 1.00 0.00 C ATOM 997 CG LYS A 63 72.143 -18.774 4.107 1.00 0.00 C ATOM 998 CD LYS A 63 73.085 -19.827 4.693 1.00 0.00 C ATOM 999 CE LYS A 63 72.449 -21.211 4.561 1.00 0.00 C ATOM 1000 NZ LYS A 63 73.466 -22.257 4.868 1.00 0.00 N ATOM 0 H LYS A 63 70.579 -17.832 3.090 1.00 0.00 H new ATOM 0 HA LYS A 63 71.828 -15.408 4.141 1.00 0.00 H new ATOM 0 HB2 LYS A 63 73.731 -17.323 4.338 1.00 0.00 H new ATOM 0 HB3 LYS A 63 72.448 -17.167 5.521 1.00 0.00 H new ATOM 0 HG2 LYS A 63 71.134 -18.918 4.493 1.00 0.00 H new ATOM 0 HG3 LYS A 63 72.088 -18.882 3.024 1.00 0.00 H new ATOM 0 HD2 LYS A 63 74.042 -19.804 4.172 1.00 0.00 H new ATOM 0 HD3 LYS A 63 73.287 -19.606 5.741 1.00 0.00 H new ATOM 0 HE2 LYS A 63 71.603 -21.300 5.242 1.00 0.00 H new ATOM 0 HE3 LYS A 63 72.062 -21.350 3.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 73.034 -23.199 4.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 74.260 -22.176 4.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 73.815 -22.127 5.839 1.00 0.00 H new ATOM 1014 N GLU A 64 72.337 -16.418 1.203 1.00 0.00 N ATOM 1015 CA GLU A 64 73.070 -16.208 -0.030 1.00 0.00 C ATOM 1016 C GLU A 64 72.224 -15.422 -1.029 1.00 0.00 C ATOM 1017 O GLU A 64 72.686 -15.077 -2.116 1.00 0.00 O ATOM 1018 CB GLU A 64 73.474 -17.557 -0.625 1.00 0.00 C ATOM 1019 CG GLU A 64 74.954 -17.811 -0.339 1.00 0.00 C ATOM 1020 CD GLU A 64 75.364 -19.180 -0.870 1.00 0.00 C ATOM 1021 OE1 GLU A 64 75.530 -20.080 -0.063 1.00 0.00 O ATOM 1022 OE2 GLU A 64 75.517 -19.306 -2.074 1.00 0.00 O ATOM 0 H GLU A 64 71.425 -16.857 1.080 1.00 0.00 H new ATOM 0 HA GLU A 64 73.968 -15.630 0.188 1.00 0.00 H new ATOM 0 HB2 GLU A 64 72.867 -18.354 -0.195 1.00 0.00 H new ATOM 0 HB3 GLU A 64 73.293 -17.562 -1.700 1.00 0.00 H new ATOM 0 HG2 GLU A 64 75.561 -17.035 -0.806 1.00 0.00 H new ATOM 0 HG3 GLU A 64 75.139 -17.758 0.734 1.00 0.00 H new ATOM 1029 N SER A 65 70.980 -15.155 -0.652 1.00 0.00 N ATOM 1030 CA SER A 65 70.062 -14.422 -1.518 1.00 0.00 C ATOM 1031 C SER A 65 70.717 -13.169 -2.087 1.00 0.00 C ATOM 1032 O SER A 65 71.739 -12.702 -1.582 1.00 0.00 O ATOM 1033 CB SER A 65 68.816 -14.024 -0.730 1.00 0.00 C ATOM 1034 OG SER A 65 67.825 -15.033 -0.874 1.00 0.00 O ATOM 0 H SER A 65 70.583 -15.434 0.245 1.00 0.00 H new ATOM 0 HA SER A 65 69.789 -15.075 -2.347 1.00 0.00 H new ATOM 0 HB2 SER A 65 69.065 -13.891 0.323 1.00 0.00 H new ATOM 0 HB3 SER A 65 68.434 -13.069 -1.090 1.00 0.00 H new ATOM 0 HG SER A 65 66.945 -14.661 -0.655 1.00 0.00 H new ATOM 1040 N THR A 66 70.111 -12.627 -3.141 1.00 0.00 N ATOM 1041 CA THR A 66 70.622 -11.421 -3.782 1.00 0.00 C ATOM 1042 C THR A 66 69.668 -10.254 -3.534 1.00 0.00 C ATOM 1043 O THR A 66 68.501 -10.309 -3.919 1.00 0.00 O ATOM 1044 CB THR A 66 70.770 -11.653 -5.287 1.00 0.00 C ATOM 1045 OG1 THR A 66 71.060 -13.022 -5.528 1.00 0.00 O ATOM 1046 CG2 THR A 66 71.906 -10.785 -5.829 1.00 0.00 C ATOM 0 H THR A 66 69.265 -13.005 -3.568 1.00 0.00 H new ATOM 0 HA THR A 66 71.597 -11.183 -3.358 1.00 0.00 H new ATOM 0 HB THR A 66 69.840 -11.385 -5.789 1.00 0.00 H new ATOM 0 HG1 THR A 66 71.153 -13.172 -6.492 1.00 0.00 H new ATOM 0 HG21 THR A 66 72.011 -10.951 -6.901 1.00 0.00 H new ATOM 0 HG22 THR A 66 71.681 -9.735 -5.645 1.00 0.00 H new ATOM 0 HG23 THR A 66 72.837 -11.050 -5.328 1.00 0.00 H new ATOM 1054 N LEU A 67 70.166 -9.207 -2.882 1.00 0.00 N ATOM 1055 CA LEU A 67 69.339 -8.041 -2.582 1.00 0.00 C ATOM 1056 C LEU A 67 69.669 -6.882 -3.518 1.00 0.00 C ATOM 1057 O LEU A 67 70.836 -6.584 -3.762 1.00 0.00 O ATOM 1058 CB LEU A 67 69.565 -7.604 -1.133 1.00 0.00 C ATOM 1059 CG LEU A 67 68.692 -8.449 -0.203 1.00 0.00 C ATOM 1060 CD1 LEU A 67 69.398 -8.634 1.142 1.00 0.00 C ATOM 1061 CD2 LEU A 67 67.352 -7.742 0.020 1.00 0.00 C ATOM 0 H LEU A 67 71.129 -9.141 -2.554 1.00 0.00 H new ATOM 0 HA LEU A 67 68.295 -8.318 -2.726 1.00 0.00 H new ATOM 0 HB2 LEU A 67 70.616 -7.719 -0.867 1.00 0.00 H new ATOM 0 HB3 LEU A 67 69.321 -6.548 -1.018 1.00 0.00 H new ATOM 0 HG LEU A 67 68.521 -9.424 -0.658 1.00 0.00 H new ATOM 0 HD11 LEU A 67 68.773 -9.236 1.801 1.00 0.00 H new ATOM 0 HD12 LEU A 67 70.352 -9.138 0.986 1.00 0.00 H new ATOM 0 HD13 LEU A 67 69.573 -7.660 1.598 1.00 0.00 H new ATOM 0 HD21 LEU A 67 66.729 -8.343 0.682 1.00 0.00 H new ATOM 0 HD22 LEU A 67 67.527 -6.766 0.473 1.00 0.00 H new ATOM 0 HD23 LEU A 67 66.845 -7.613 -0.936 1.00 0.00 H new ATOM 1073 N HIS A 68 68.634 -6.231 -4.037 1.00 0.00 N ATOM 1074 CA HIS A 68 68.827 -5.106 -4.943 1.00 0.00 C ATOM 1075 C HIS A 68 68.743 -3.786 -4.183 1.00 0.00 C ATOM 1076 O HIS A 68 67.827 -3.573 -3.389 1.00 0.00 O ATOM 1077 CB HIS A 68 67.765 -5.130 -6.044 1.00 0.00 C ATOM 1078 CG HIS A 68 67.926 -6.376 -6.869 1.00 0.00 C ATOM 1079 ND1 HIS A 68 68.133 -7.621 -6.298 1.00 0.00 N ATOM 1080 CD2 HIS A 68 67.911 -6.585 -8.228 1.00 0.00 C ATOM 1081 CE1 HIS A 68 68.234 -8.515 -7.299 1.00 0.00 C ATOM 1082 NE2 HIS A 68 68.105 -7.936 -8.495 1.00 0.00 N ATOM 0 H HIS A 68 67.659 -6.461 -3.847 1.00 0.00 H new ATOM 0 HA HIS A 68 69.816 -5.193 -5.392 1.00 0.00 H new ATOM 0 HB2 HIS A 68 66.768 -5.099 -5.603 1.00 0.00 H new ATOM 0 HB3 HIS A 68 67.861 -4.247 -6.676 1.00 0.00 H new ATOM 0 HD2 HIS A 68 67.770 -5.817 -8.974 1.00 0.00 H new ATOM 0 HE1 HIS A 68 68.399 -9.572 -7.153 1.00 0.00 H new ATOM 0 HE2 HIS A 68 68.141 -8.388 -9.409 1.00 0.00 H new ATOM 1090 N LEU A 69 69.708 -2.905 -4.429 1.00 0.00 N ATOM 1091 CA LEU A 69 69.740 -1.608 -3.761 1.00 0.00 C ATOM 1092 C LEU A 69 69.291 -0.506 -4.712 1.00 0.00 C ATOM 1093 O LEU A 69 69.906 -0.284 -5.754 1.00 0.00 O ATOM 1094 CB LEU A 69 71.161 -1.316 -3.262 1.00 0.00 C ATOM 1095 CG LEU A 69 71.152 -0.143 -2.267 1.00 0.00 C ATOM 1096 CD1 LEU A 69 72.523 -0.042 -1.598 1.00 0.00 C ATOM 1097 CD2 LEU A 69 70.848 1.178 -2.986 1.00 0.00 C ATOM 0 H LEU A 69 70.475 -3.064 -5.083 1.00 0.00 H new ATOM 0 HA LEU A 69 69.056 -1.636 -2.912 1.00 0.00 H new ATOM 0 HB2 LEU A 69 71.574 -2.204 -2.783 1.00 0.00 H new ATOM 0 HB3 LEU A 69 71.808 -1.079 -4.107 1.00 0.00 H new ATOM 0 HG LEU A 69 70.377 -0.324 -1.522 1.00 0.00 H new ATOM 0 HD11 LEU A 69 72.523 0.788 -0.891 1.00 0.00 H new ATOM 0 HD12 LEU A 69 72.738 -0.970 -1.068 1.00 0.00 H new ATOM 0 HD13 LEU A 69 73.287 0.128 -2.357 1.00 0.00 H new ATOM 0 HD21 LEU A 69 70.847 1.994 -2.263 1.00 0.00 H new ATOM 0 HD22 LEU A 69 71.611 1.365 -3.742 1.00 0.00 H new ATOM 0 HD23 LEU A 69 69.870 1.115 -3.464 1.00 0.00 H new ATOM 1109 N VAL A 70 68.219 0.185 -4.336 1.00 0.00 N ATOM 1110 CA VAL A 70 67.694 1.273 -5.150 1.00 0.00 C ATOM 1111 C VAL A 70 67.516 2.526 -4.299 1.00 0.00 C ATOM 1112 O VAL A 70 67.117 2.446 -3.137 1.00 0.00 O ATOM 1113 CB VAL A 70 66.351 0.873 -5.762 1.00 0.00 C ATOM 1114 CG1 VAL A 70 66.129 1.646 -7.062 1.00 0.00 C ATOM 1115 CG2 VAL A 70 66.351 -0.629 -6.054 1.00 0.00 C ATOM 0 H VAL A 70 67.699 0.011 -3.476 1.00 0.00 H new ATOM 0 HA VAL A 70 68.403 1.482 -5.951 1.00 0.00 H new ATOM 0 HB VAL A 70 65.550 1.107 -5.061 1.00 0.00 H new ATOM 0 HG11 VAL A 70 65.171 1.360 -7.497 1.00 0.00 H new ATOM 0 HG12 VAL A 70 66.127 2.716 -6.853 1.00 0.00 H new ATOM 0 HG13 VAL A 70 66.930 1.415 -7.764 1.00 0.00 H new ATOM 0 HG21 VAL A 70 65.394 -0.915 -6.490 1.00 0.00 H new ATOM 0 HG22 VAL A 70 67.153 -0.864 -6.754 1.00 0.00 H new ATOM 0 HG23 VAL A 70 66.506 -1.180 -5.126 1.00 0.00 H new ATOM 1125 N LEU A 71 67.819 3.680 -4.884 1.00 0.00 N ATOM 1126 CA LEU A 71 67.693 4.944 -4.167 1.00 0.00 C ATOM 1127 C LEU A 71 66.454 5.705 -4.630 1.00 0.00 C ATOM 1128 O LEU A 71 66.129 5.720 -5.817 1.00 0.00 O ATOM 1129 CB LEU A 71 68.940 5.803 -4.400 1.00 0.00 C ATOM 1130 CG LEU A 71 69.881 5.679 -3.198 1.00 0.00 C ATOM 1131 CD1 LEU A 71 71.281 6.153 -3.596 1.00 0.00 C ATOM 1132 CD2 LEU A 71 69.361 6.546 -2.047 1.00 0.00 C ATOM 0 H LEU A 71 68.151 3.767 -5.845 1.00 0.00 H new ATOM 0 HA LEU A 71 67.594 4.727 -3.103 1.00 0.00 H new ATOM 0 HB2 LEU A 71 69.450 5.483 -5.309 1.00 0.00 H new ATOM 0 HB3 LEU A 71 68.654 6.845 -4.545 1.00 0.00 H new ATOM 0 HG LEU A 71 69.924 4.638 -2.879 1.00 0.00 H new ATOM 0 HD11 LEU A 71 71.952 6.065 -2.741 1.00 0.00 H new ATOM 0 HD12 LEU A 71 71.654 5.538 -4.415 1.00 0.00 H new ATOM 0 HD13 LEU A 71 71.235 7.194 -3.916 1.00 0.00 H new ATOM 0 HD21 LEU A 71 70.032 6.457 -1.192 1.00 0.00 H new ATOM 0 HD22 LEU A 71 69.317 7.587 -2.367 1.00 0.00 H new ATOM 0 HD23 LEU A 71 68.363 6.212 -1.762 1.00 0.00 H new ATOM 1144 N ARG A 72 65.768 6.335 -3.683 1.00 0.00 N ATOM 1145 CA ARG A 72 64.564 7.096 -3.997 1.00 0.00 C ATOM 1146 C ARG A 72 64.917 8.548 -4.302 1.00 0.00 C ATOM 1147 O ARG A 72 65.821 9.120 -3.691 1.00 0.00 O ATOM 1148 CB ARG A 72 63.593 7.037 -2.818 1.00 0.00 C ATOM 1149 CG ARG A 72 62.576 8.176 -2.929 1.00 0.00 C ATOM 1150 CD ARG A 72 61.358 7.861 -2.059 1.00 0.00 C ATOM 1151 NE ARG A 72 60.580 9.072 -1.826 1.00 0.00 N ATOM 1152 CZ ARG A 72 59.437 9.035 -1.150 1.00 0.00 C ATOM 1153 NH1 ARG A 72 58.760 10.133 -0.953 1.00 0.00 N ATOM 1154 NH2 ARG A 72 58.993 7.902 -0.681 1.00 0.00 N ATOM 0 H ARG A 72 66.023 6.334 -2.695 1.00 0.00 H new ATOM 0 HA ARG A 72 64.092 6.658 -4.877 1.00 0.00 H new ATOM 0 HB2 ARG A 72 63.078 6.077 -2.807 1.00 0.00 H new ATOM 0 HB3 ARG A 72 64.141 7.116 -1.879 1.00 0.00 H new ATOM 0 HG2 ARG A 72 63.030 9.115 -2.611 1.00 0.00 H new ATOM 0 HG3 ARG A 72 62.271 8.305 -3.967 1.00 0.00 H new ATOM 0 HD2 ARG A 72 60.738 7.110 -2.547 1.00 0.00 H new ATOM 0 HD3 ARG A 72 61.681 7.439 -1.107 1.00 0.00 H new ATOM 0 HE ARG A 72 60.919 9.963 -2.188 1.00 0.00 H new ATOM 0 HH11 ARG A 72 59.108 11.019 -1.318 1.00 0.00 H new ATOM 0 HH12 ARG A 72 57.882 10.105 -0.434 1.00 0.00 H new ATOM 0 HH21 ARG A 72 59.523 7.044 -0.833 1.00 0.00 H new ATOM 0 HH22 ARG A 72 58.115 7.874 -0.162 1.00 0.00 H new ATOM 1168 N LEU A 73 64.195 9.141 -5.247 1.00 0.00 N ATOM 1169 CA LEU A 73 64.439 10.529 -5.623 1.00 0.00 C ATOM 1170 C LEU A 73 63.242 11.099 -6.376 1.00 0.00 C ATOM 1171 O LEU A 73 62.650 10.424 -7.220 1.00 0.00 O ATOM 1172 CB LEU A 73 65.689 10.622 -6.501 1.00 0.00 C ATOM 1173 CG LEU A 73 66.746 11.478 -5.800 1.00 0.00 C ATOM 1174 CD1 LEU A 73 68.037 11.467 -6.621 1.00 0.00 C ATOM 1175 CD2 LEU A 73 66.236 12.915 -5.675 1.00 0.00 C ATOM 0 H LEU A 73 63.442 8.687 -5.763 1.00 0.00 H new ATOM 0 HA LEU A 73 64.591 11.110 -4.713 1.00 0.00 H new ATOM 0 HB2 LEU A 73 66.084 9.625 -6.695 1.00 0.00 H new ATOM 0 HB3 LEU A 73 65.435 11.058 -7.467 1.00 0.00 H new ATOM 0 HG LEU A 73 66.942 11.073 -4.807 1.00 0.00 H new ATOM 0 HD11 LEU A 73 68.791 12.077 -6.122 1.00 0.00 H new ATOM 0 HD12 LEU A 73 68.401 10.444 -6.713 1.00 0.00 H new ATOM 0 HD13 LEU A 73 67.841 11.873 -7.613 1.00 0.00 H new ATOM 0 HD21 LEU A 73 66.988 13.526 -5.176 1.00 0.00 H new ATOM 0 HD22 LEU A 73 66.041 13.320 -6.668 1.00 0.00 H new ATOM 0 HD23 LEU A 73 65.315 12.925 -5.092 1.00 0.00 H new ATOM 1187 N ARG A 74 62.892 12.343 -6.066 1.00 0.00 N ATOM 1188 CA ARG A 74 61.761 13.001 -6.717 1.00 0.00 C ATOM 1189 C ARG A 74 62.160 14.388 -7.209 1.00 0.00 C ATOM 1190 O ARG A 74 62.695 15.195 -6.451 1.00 0.00 O ATOM 1191 CB ARG A 74 60.592 13.123 -5.737 1.00 0.00 C ATOM 1192 CG ARG A 74 60.208 11.733 -5.224 1.00 0.00 C ATOM 1193 CD ARG A 74 58.690 11.561 -5.304 1.00 0.00 C ATOM 1194 NE ARG A 74 58.298 10.270 -4.750 1.00 0.00 N ATOM 1195 CZ ARG A 74 57.068 9.795 -4.917 1.00 0.00 C ATOM 1196 NH1 ARG A 74 56.743 8.636 -4.415 1.00 0.00 N ATOM 1197 NH2 ARG A 74 56.187 10.487 -5.585 1.00 0.00 N ATOM 0 H ARG A 74 63.372 12.915 -5.371 1.00 0.00 H new ATOM 0 HA ARG A 74 61.457 12.397 -7.572 1.00 0.00 H new ATOM 0 HB2 ARG A 74 60.869 13.767 -4.902 1.00 0.00 H new ATOM 0 HB3 ARG A 74 59.738 13.589 -6.229 1.00 0.00 H new ATOM 0 HG2 ARG A 74 60.703 10.965 -5.818 1.00 0.00 H new ATOM 0 HG3 ARG A 74 60.545 11.607 -4.195 1.00 0.00 H new ATOM 0 HD2 ARG A 74 58.197 12.364 -4.757 1.00 0.00 H new ATOM 0 HD3 ARG A 74 58.363 11.634 -6.341 1.00 0.00 H new ATOM 0 HE ARG A 74 58.980 9.722 -4.225 1.00 0.00 H new ATOM 0 HH11 ARG A 74 57.433 8.094 -3.894 1.00 0.00 H new ATOM 0 HH12 ARG A 74 55.799 8.271 -4.543 1.00 0.00 H new ATOM 0 HH21 ARG A 74 56.442 11.393 -5.979 1.00 0.00 H new ATOM 0 HH22 ARG A 74 55.243 10.123 -5.713 1.00 0.00 H new ATOM 1211 N GLY A 75 61.895 14.657 -8.483 1.00 0.00 N ATOM 1212 CA GLY A 75 62.232 15.951 -9.066 1.00 0.00 C ATOM 1213 C GLY A 75 61.425 17.069 -8.414 1.00 0.00 C ATOM 1214 O GLY A 75 61.906 18.194 -8.274 1.00 0.00 O ATOM 0 H GLY A 75 61.452 14.002 -9.127 1.00 0.00 H new ATOM 0 HA2 GLY A 75 63.297 16.145 -8.940 1.00 0.00 H new ATOM 0 HA3 GLY A 75 62.036 15.933 -10.138 1.00 0.00 H new ATOM 1218 N GLY A 76 60.198 16.752 -8.019 1.00 0.00 N ATOM 1219 CA GLY A 76 59.332 17.739 -7.382 1.00 0.00 C ATOM 1220 C GLY A 76 58.522 17.108 -6.256 1.00 0.00 C ATOM 1221 O GLY A 76 57.376 17.493 -6.088 1.00 0.00 O ATOM 1222 OXT GLY A 76 59.059 16.249 -5.575 1.00 0.00 O ATOM 0 H GLY A 76 59.782 15.827 -8.127 1.00 0.00 H new ATOM 0 HA2 GLY A 76 59.935 18.557 -6.987 1.00 0.00 H new ATOM 0 HA3 GLY A 76 58.658 18.169 -8.123 1.00 0.00 H new TER 1226 GLY A 76