USER MOD reduce.3.24.130724 H: found=0, std=0, add=566, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 566 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 11 LYS NZ :NH3+ -135:sc= -0.517 (180deg=-3.03!) USER MOD Set 1.2: A 33 LYS NZ :NH3+ 153:sc= -0.476 (180deg=-0.761) USER MOD Set 2.1: A 7 THR OG1 : rot 180:sc= -0.237 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= -0.845 USER MOD Single : A 2 GLN : amide:sc= -0.123 X(o=-0.12,f=-0.0054) USER MOD Single : A 6 LYS NZ :NH3+ 168:sc=-0.00684 (180deg=-0.136) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.07 USER MOD Single : A 14 THR OG1 : rot 7:sc= 0.554 USER MOD Single : A 17 THR OG1 : rot 50:sc= -1.81 USER MOD Single : A 22 THR OG1 : rot 70:sc= -3.01! USER MOD Single : A 27 LYS NZ :NH3+ -111:sc= 0.508 (180deg=-3.02!) USER MOD Single : A 28 GLN : amide:sc= -0.0652 X(o=-0.065,f=0) USER MOD Single : A 29 LYS NZ :NH3+ 170:sc= -0.0788 (180deg=-0.617) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 GLN : amide:sc= -0.0144 K(o=-0.014,f=-4!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.831 X(o=-0.83,f=-0.83) USER MOD Single : A 53 SER OG : rot -31:sc= 0.65 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.529 USER MOD Single : A 56 MET CE :methyl 171:sc= 0 (180deg=-0.0907) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.171 X(o=-0.17,f=-0.42) USER MOD Single : A 62 GLN : amide:sc= -0.747 X(o=-0.75,f=-1.1!) USER MOD Single : A 63 LYS NZ :NH3+ -124:sc= 0 (180deg=-0.548) USER MOD Single : A 65 SER OG : rot -70:sc= -0.845 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.399 X(o=-0.4,f=-0.014) USER MOD Single : A 69 MET CE :methyl 168:sc= -2.91 (180deg=-3.4!) USER MOD ----------------------------------------------------------------- ATOM 18 N GLN A 2 2.266 -2.529 -1.706 1.00 64.32 N ATOM 19 CA GLN A 2 3.033 -3.769 -1.739 1.00 63.04 C ATOM 20 C GLN A 2 2.843 -4.492 -3.069 1.00 14.32 C ATOM 21 O GLN A 2 1.779 -4.408 -3.684 1.00 64.45 O ATOM 22 CB GLN A 2 2.617 -4.682 -0.585 1.00 1.02 C ATOM 23 CG GLN A 2 1.264 -5.344 -0.790 1.00 11.43 C ATOM 24 CD GLN A 2 0.554 -5.638 0.517 1.00 2.32 C ATOM 25 OE1 GLN A 2 0.229 -6.787 0.815 1.00 31.23 O ATOM 26 NE2 GLN A 2 0.310 -4.597 1.306 1.00 60.53 N ATOM 0 HA GLN A 2 4.088 -3.517 -1.631 1.00 63.04 H new ATOM 0 HB2 GLN A 2 3.374 -5.455 -0.453 1.00 1.02 H new ATOM 0 HB3 GLN A 2 2.592 -4.100 0.336 1.00 1.02 H new ATOM 0 HG2 GLN A 2 0.636 -4.697 -1.402 1.00 11.43 H new ATOM 0 HG3 GLN A 2 1.399 -6.274 -1.343 1.00 11.43 H new ATOM 0 HE21 GLN A 2 0.597 -3.661 1.019 1.00 60.53 H new ATOM 0 HE22 GLN A 2 -0.164 -4.734 2.199 1.00 60.53 H new ATOM 35 N ILE A 3 3.879 -5.200 -3.506 1.00 14.34 N ATOM 36 CA ILE A 3 3.824 -5.937 -4.762 1.00 21.34 C ATOM 37 C ILE A 3 3.796 -7.442 -4.515 1.00 1.21 C ATOM 38 O ILE A 3 4.001 -7.902 -3.391 1.00 43.53 O ATOM 39 CB ILE A 3 5.024 -5.599 -5.666 1.00 2.13 C ATOM 40 CG1 ILE A 3 6.334 -5.993 -4.980 1.00 41.50 C ATOM 41 CG2 ILE A 3 5.025 -4.117 -6.012 1.00 24.42 C ATOM 42 CD1 ILE A 3 7.540 -5.910 -5.889 1.00 4.01 C ATOM 0 H ILE A 3 4.766 -5.279 -3.009 1.00 14.34 H new ATOM 0 HA ILE A 3 2.905 -5.636 -5.265 1.00 21.34 H new ATOM 0 HB ILE A 3 4.935 -6.168 -6.591 1.00 2.13 H new ATOM 0 HG12 ILE A 3 6.493 -5.344 -4.118 1.00 41.50 H new ATOM 0 HG13 ILE A 3 6.244 -7.011 -4.601 1.00 41.50 H new ATOM 0 HG21 ILE A 3 5.879 -3.893 -6.651 1.00 24.42 H new ATOM 0 HG22 ILE A 3 4.103 -3.865 -6.536 1.00 24.42 H new ATOM 0 HG23 ILE A 3 5.094 -3.530 -5.096 1.00 24.42 H new ATOM 0 HD11 ILE A 3 8.433 -6.203 -5.337 1.00 4.01 H new ATOM 0 HD12 ILE A 3 7.402 -6.580 -6.738 1.00 4.01 H new ATOM 0 HD13 ILE A 3 7.655 -4.887 -6.248 1.00 4.01 H new ATOM 54 N PHE A 4 3.542 -8.205 -5.573 1.00 5.20 N ATOM 55 CA PHE A 4 3.489 -9.659 -5.472 1.00 54.50 C ATOM 56 C PHE A 4 4.554 -10.305 -6.353 1.00 54.21 C ATOM 57 O PHE A 4 4.564 -10.118 -7.570 1.00 62.02 O ATOM 58 CB PHE A 4 2.102 -10.168 -5.872 1.00 2.33 C ATOM 59 CG PHE A 4 1.107 -10.142 -4.747 1.00 60.20 C ATOM 60 CD1 PHE A 4 0.856 -8.970 -4.053 1.00 1.23 C ATOM 61 CD2 PHE A 4 0.423 -11.291 -4.384 1.00 32.13 C ATOM 62 CE1 PHE A 4 -0.059 -8.943 -3.017 1.00 53.24 C ATOM 63 CE2 PHE A 4 -0.494 -11.270 -3.350 1.00 20.13 C ATOM 64 CZ PHE A 4 -0.734 -10.095 -2.665 1.00 14.11 C ATOM 0 H PHE A 4 3.370 -7.841 -6.510 1.00 5.20 H new ATOM 0 HA PHE A 4 3.685 -9.934 -4.436 1.00 54.50 H new ATOM 0 HB2 PHE A 4 1.724 -9.561 -6.695 1.00 2.33 H new ATOM 0 HB3 PHE A 4 2.192 -11.189 -6.244 1.00 2.33 H new ATOM 0 HD1 PHE A 4 1.381 -8.066 -4.324 1.00 1.23 H new ATOM 0 HD2 PHE A 4 0.608 -12.213 -4.915 1.00 32.13 H new ATOM 0 HE1 PHE A 4 -0.246 -8.022 -2.484 1.00 53.24 H new ATOM 0 HE2 PHE A 4 -1.022 -12.172 -3.078 1.00 20.13 H new ATOM 0 HZ PHE A 4 -1.448 -10.077 -1.855 1.00 14.11 H new ATOM 74 N ILE A 5 5.448 -11.064 -5.729 1.00 74.54 N ATOM 75 CA ILE A 5 6.516 -11.739 -6.456 1.00 43.31 C ATOM 76 C ILE A 5 6.342 -13.253 -6.410 1.00 4.14 C ATOM 77 O ILE A 5 5.911 -13.809 -5.399 1.00 63.03 O ATOM 78 CB ILE A 5 7.901 -11.374 -5.888 1.00 35.54 C ATOM 79 CG1 ILE A 5 8.140 -9.867 -5.995 1.00 72.14 C ATOM 80 CG2 ILE A 5 8.992 -12.143 -6.618 1.00 32.04 C ATOM 81 CD1 ILE A 5 7.844 -9.115 -4.716 1.00 64.43 C ATOM 0 H ILE A 5 5.454 -11.227 -4.722 1.00 74.54 H new ATOM 0 HA ILE A 5 6.456 -11.401 -7.491 1.00 43.31 H new ATOM 0 HB ILE A 5 7.930 -11.653 -4.835 1.00 35.54 H new ATOM 0 HG12 ILE A 5 9.178 -9.691 -6.278 1.00 72.14 H new ATOM 0 HG13 ILE A 5 7.519 -9.465 -6.795 1.00 72.14 H new ATOM 0 HG21 ILE A 5 9.965 -11.874 -6.206 1.00 32.04 H new ATOM 0 HG22 ILE A 5 8.828 -13.213 -6.494 1.00 32.04 H new ATOM 0 HG23 ILE A 5 8.966 -11.893 -7.679 1.00 32.04 H new ATOM 0 HD11 ILE A 5 8.036 -8.053 -4.866 1.00 64.43 H new ATOM 0 HD12 ILE A 5 6.799 -9.260 -4.442 1.00 64.43 H new ATOM 0 HD13 ILE A 5 8.484 -9.490 -3.917 1.00 64.43 H new ATOM 93 N LYS A 6 6.682 -13.916 -7.510 1.00 5.03 N ATOM 94 CA LYS A 6 6.568 -15.367 -7.595 1.00 73.03 C ATOM 95 C LYS A 6 7.871 -15.988 -8.089 1.00 13.32 C ATOM 96 O LYS A 6 8.595 -15.387 -8.883 1.00 61.45 O ATOM 97 CB LYS A 6 5.420 -15.754 -8.530 1.00 73.14 C ATOM 98 CG LYS A 6 4.132 -14.997 -8.258 1.00 53.42 C ATOM 99 CD LYS A 6 3.510 -15.411 -6.935 1.00 72.53 C ATOM 100 CE LYS A 6 2.151 -14.760 -6.729 1.00 40.35 C ATOM 101 NZ LYS A 6 1.127 -15.306 -7.662 1.00 52.13 N ATOM 0 H LYS A 6 7.039 -13.471 -8.356 1.00 5.03 H new ATOM 0 HA LYS A 6 6.360 -15.749 -6.596 1.00 73.03 H new ATOM 0 HB2 LYS A 6 5.726 -15.575 -9.561 1.00 73.14 H new ATOM 0 HB3 LYS A 6 5.230 -16.823 -8.435 1.00 73.14 H new ATOM 0 HG2 LYS A 6 4.334 -13.926 -8.247 1.00 53.42 H new ATOM 0 HG3 LYS A 6 3.424 -15.179 -9.067 1.00 53.42 H new ATOM 0 HD2 LYS A 6 3.403 -16.495 -6.906 1.00 72.53 H new ATOM 0 HD3 LYS A 6 4.175 -15.134 -6.117 1.00 72.53 H new ATOM 0 HE2 LYS A 6 1.825 -14.917 -5.701 1.00 40.35 H new ATOM 0 HE3 LYS A 6 2.238 -13.683 -6.875 1.00 40.35 H new ATOM 0 HZ1 LYS A 6 0.182 -14.993 -7.362 1.00 52.13 H new ATOM 0 HZ2 LYS A 6 1.316 -14.962 -8.625 1.00 52.13 H new ATOM 0 HZ3 LYS A 6 1.167 -16.345 -7.652 1.00 52.13 H new ATOM 115 N THR A 7 8.163 -17.195 -7.614 1.00 3.51 N ATOM 116 CA THR A 7 9.378 -17.897 -8.007 1.00 5.51 C ATOM 117 C THR A 7 9.056 -19.123 -8.852 1.00 73.51 C ATOM 118 O THR A 7 7.930 -19.624 -8.834 1.00 24.11 O ATOM 119 CB THR A 7 10.197 -18.335 -6.778 1.00 13.24 C ATOM 120 OG1 THR A 7 11.300 -19.150 -7.189 1.00 1.33 O ATOM 121 CG2 THR A 7 9.328 -19.107 -5.796 1.00 54.52 C ATOM 0 H THR A 7 7.574 -17.706 -6.957 1.00 3.51 H new ATOM 0 HA THR A 7 9.969 -17.197 -8.598 1.00 5.51 H new ATOM 0 HB THR A 7 10.572 -17.440 -6.282 1.00 13.24 H new ATOM 0 HG1 THR A 7 11.816 -19.423 -6.402 1.00 1.33 H new ATOM 0 HG21 THR A 7 9.928 -19.406 -4.936 1.00 54.52 H new ATOM 0 HG22 THR A 7 8.506 -18.474 -5.462 1.00 54.52 H new ATOM 0 HG23 THR A 7 8.927 -19.995 -6.285 1.00 54.52 H new ATOM 129 N LEU A 8 10.049 -19.604 -9.592 1.00 31.54 N ATOM 130 CA LEU A 8 9.871 -20.775 -10.444 1.00 13.11 C ATOM 131 C LEU A 8 9.450 -21.988 -9.621 1.00 73.54 C ATOM 132 O LEU A 8 8.861 -22.934 -10.146 1.00 60.51 O ATOM 133 CB LEU A 8 11.165 -21.081 -11.200 1.00 74.13 C ATOM 134 CG LEU A 8 11.087 -22.204 -12.236 1.00 2.33 C ATOM 135 CD1 LEU A 8 10.732 -21.644 -13.604 1.00 52.13 C ATOM 136 CD2 LEU A 8 12.403 -22.967 -12.295 1.00 15.44 C ATOM 0 H LEU A 8 10.986 -19.201 -9.619 1.00 31.54 H new ATOM 0 HA LEU A 8 9.081 -20.555 -11.162 1.00 13.11 H new ATOM 0 HB2 LEU A 8 11.492 -20.171 -11.703 1.00 74.13 H new ATOM 0 HB3 LEU A 8 11.935 -21.337 -10.473 1.00 74.13 H new ATOM 0 HG LEU A 8 10.301 -22.897 -11.935 1.00 2.33 H new ATOM 0 HD11 LEU A 8 10.681 -22.457 -14.328 1.00 52.13 H new ATOM 0 HD12 LEU A 8 9.765 -21.143 -13.552 1.00 52.13 H new ATOM 0 HD13 LEU A 8 11.495 -20.930 -13.914 1.00 52.13 H new ATOM 0 HD21 LEU A 8 12.330 -23.762 -13.037 1.00 15.44 H new ATOM 0 HD22 LEU A 8 13.207 -22.285 -12.572 1.00 15.44 H new ATOM 0 HD23 LEU A 8 12.616 -23.401 -11.318 1.00 15.44 H new ATOM 148 N THR A 9 9.753 -21.954 -8.328 1.00 23.45 N ATOM 149 CA THR A 9 9.406 -23.050 -7.432 1.00 32.22 C ATOM 150 C THR A 9 7.922 -23.026 -7.083 1.00 0.20 C ATOM 151 O THR A 9 7.400 -23.965 -6.484 1.00 13.32 O ATOM 152 CB THR A 9 10.228 -22.995 -6.131 1.00 3.34 C ATOM 153 OG1 THR A 9 9.757 -21.929 -5.298 1.00 43.14 O ATOM 154 CG2 THR A 9 11.706 -22.794 -6.433 1.00 33.14 C ATOM 0 H THR A 9 10.239 -21.179 -7.877 1.00 23.45 H new ATOM 0 HA THR A 9 9.638 -23.975 -7.960 1.00 32.22 H new ATOM 0 HB THR A 9 10.105 -23.944 -5.609 1.00 3.34 H new ATOM 0 HG1 THR A 9 10.284 -21.902 -4.472 1.00 43.14 H new ATOM 0 HG21 THR A 9 12.267 -22.758 -5.499 1.00 33.14 H new ATOM 0 HG22 THR A 9 12.069 -23.622 -7.042 1.00 33.14 H new ATOM 0 HG23 THR A 9 11.843 -21.858 -6.974 1.00 33.14 H new ATOM 162 N GLY A 10 7.247 -21.945 -7.463 1.00 20.01 N ATOM 163 CA GLY A 10 5.829 -21.819 -7.182 1.00 31.33 C ATOM 164 C GLY A 10 5.557 -21.051 -5.904 1.00 21.25 C ATOM 165 O GLY A 10 4.414 -20.700 -5.612 1.00 54.11 O ATOM 0 H GLY A 10 7.657 -21.155 -7.960 1.00 20.01 H new ATOM 0 HA2 GLY A 10 5.340 -21.315 -8.016 1.00 31.33 H new ATOM 0 HA3 GLY A 10 5.387 -22.813 -7.106 1.00 31.33 H new ATOM 169 N LYS A 11 6.610 -20.790 -5.137 1.00 23.44 N ATOM 170 CA LYS A 11 6.481 -20.060 -3.882 1.00 3.55 C ATOM 171 C LYS A 11 6.100 -18.605 -4.136 1.00 4.41 C ATOM 172 O LYS A 11 6.412 -18.045 -5.188 1.00 0.44 O ATOM 173 CB LYS A 11 7.791 -20.124 -3.093 1.00 21.53 C ATOM 174 CG LYS A 11 7.594 -20.128 -1.587 1.00 25.44 C ATOM 175 CD LYS A 11 8.924 -20.148 -0.851 1.00 12.12 C ATOM 176 CE LYS A 11 9.622 -18.799 -0.925 1.00 52.41 C ATOM 177 NZ LYS A 11 10.498 -18.693 -2.125 1.00 10.44 N ATOM 0 H LYS A 11 7.563 -21.074 -5.363 1.00 23.44 H new ATOM 0 HA LYS A 11 5.689 -20.529 -3.298 1.00 3.55 H new ATOM 0 HB2 LYS A 11 8.336 -21.023 -3.382 1.00 21.53 H new ATOM 0 HB3 LYS A 11 8.413 -19.272 -3.367 1.00 21.53 H new ATOM 0 HG2 LYS A 11 7.026 -19.246 -1.291 1.00 25.44 H new ATOM 0 HG3 LYS A 11 7.004 -20.998 -1.298 1.00 25.44 H new ATOM 0 HD2 LYS A 11 8.760 -20.417 0.192 1.00 12.12 H new ATOM 0 HD3 LYS A 11 9.567 -20.916 -1.281 1.00 12.12 H new ATOM 0 HE2 LYS A 11 8.876 -18.005 -0.949 1.00 52.41 H new ATOM 0 HE3 LYS A 11 10.219 -18.649 -0.025 1.00 52.41 H new ATOM 0 HZ1 LYS A 11 11.413 -18.280 -1.852 1.00 10.44 H new ATOM 0 HZ2 LYS A 11 10.652 -19.640 -2.527 1.00 10.44 H new ATOM 0 HZ3 LYS A 11 10.042 -18.085 -2.835 1.00 10.44 H new ATOM 191 N THR A 12 5.425 -17.996 -3.166 1.00 4.23 N ATOM 192 CA THR A 12 5.003 -16.606 -3.285 1.00 35.14 C ATOM 193 C THR A 12 5.769 -15.713 -2.315 1.00 71.44 C ATOM 194 O THR A 12 6.080 -16.121 -1.196 1.00 1.43 O ATOM 195 CB THR A 12 3.493 -16.454 -3.021 1.00 14.25 C ATOM 196 OG1 THR A 12 3.026 -15.207 -3.548 1.00 5.22 O ATOM 197 CG2 THR A 12 3.194 -16.524 -1.530 1.00 41.55 C ATOM 0 H THR A 12 5.159 -18.444 -2.289 1.00 4.23 H new ATOM 0 HA THR A 12 5.220 -16.296 -4.307 1.00 35.14 H new ATOM 0 HB THR A 12 2.976 -17.275 -3.518 1.00 14.25 H new ATOM 0 HG1 THR A 12 2.065 -15.119 -3.377 1.00 5.22 H new ATOM 0 HG21 THR A 12 2.122 -16.414 -1.368 1.00 41.55 H new ATOM 0 HG22 THR A 12 3.523 -17.486 -1.138 1.00 41.55 H new ATOM 0 HG23 THR A 12 3.722 -15.722 -1.015 1.00 41.55 H new ATOM 205 N ILE A 13 6.070 -14.495 -2.752 1.00 73.11 N ATOM 206 CA ILE A 13 6.798 -13.545 -1.921 1.00 44.44 C ATOM 207 C ILE A 13 6.218 -12.141 -2.054 1.00 42.34 C ATOM 208 O ILE A 13 6.247 -11.544 -3.131 1.00 42.41 O ATOM 209 CB ILE A 13 8.294 -13.507 -2.288 1.00 53.23 C ATOM 210 CG1 ILE A 13 8.867 -14.925 -2.331 1.00 54.12 C ATOM 211 CG2 ILE A 13 9.062 -12.649 -1.294 1.00 34.33 C ATOM 212 CD1 ILE A 13 10.329 -14.974 -2.715 1.00 31.51 C ATOM 0 H ILE A 13 5.821 -14.143 -3.676 1.00 73.11 H new ATOM 0 HA ILE A 13 6.693 -13.883 -0.890 1.00 44.44 H new ATOM 0 HB ILE A 13 8.399 -13.063 -3.278 1.00 53.23 H new ATOM 0 HG12 ILE A 13 8.741 -15.389 -1.353 1.00 54.12 H new ATOM 0 HG13 ILE A 13 8.293 -15.519 -3.042 1.00 54.12 H new ATOM 0 HG21 ILE A 13 10.117 -12.632 -1.567 1.00 34.33 H new ATOM 0 HG22 ILE A 13 8.667 -11.633 -1.309 1.00 34.33 H new ATOM 0 HG23 ILE A 13 8.953 -13.066 -0.293 1.00 34.33 H new ATOM 0 HD11 ILE A 13 10.668 -16.010 -2.725 1.00 31.51 H new ATOM 0 HD12 ILE A 13 10.460 -14.540 -3.706 1.00 31.51 H new ATOM 0 HD13 ILE A 13 10.915 -14.408 -1.991 1.00 31.51 H new ATOM 224 N THR A 14 5.692 -11.617 -0.952 1.00 1.44 N ATOM 225 CA THR A 14 5.106 -10.282 -0.944 1.00 34.51 C ATOM 226 C THR A 14 5.532 -9.502 0.294 1.00 51.52 C ATOM 227 O THR A 14 5.348 -9.958 1.422 1.00 73.55 O ATOM 228 CB THR A 14 3.567 -10.345 -0.993 1.00 43.21 C ATOM 229 OG1 THR A 14 3.054 -10.779 0.271 1.00 11.33 O ATOM 230 CG2 THR A 14 3.099 -11.291 -2.088 1.00 73.12 C ATOM 0 H THR A 14 5.660 -12.097 -0.053 1.00 1.44 H new ATOM 0 HA THR A 14 5.471 -9.771 -1.835 1.00 34.51 H new ATOM 0 HB THR A 14 3.191 -9.346 -1.213 1.00 43.21 H new ATOM 0 HG1 THR A 14 3.786 -10.830 0.921 1.00 11.33 H new ATOM 0 HG21 THR A 14 2.009 -11.319 -2.103 1.00 73.12 H new ATOM 0 HG22 THR A 14 3.467 -10.941 -3.053 1.00 73.12 H new ATOM 0 HG23 THR A 14 3.485 -12.292 -1.894 1.00 73.12 H new ATOM 238 N ALA A 15 6.102 -8.321 0.076 1.00 70.03 N ATOM 239 CA ALA A 15 6.552 -7.475 1.174 1.00 31.33 C ATOM 240 C ALA A 15 6.866 -6.065 0.688 1.00 1.41 C ATOM 241 O ALA A 15 7.415 -5.881 -0.398 1.00 21.02 O ATOM 242 CB ALA A 15 7.772 -8.088 1.847 1.00 54.14 C ATOM 0 H ALA A 15 6.263 -7.929 -0.852 1.00 70.03 H new ATOM 0 HA ALA A 15 5.744 -7.408 1.903 1.00 31.33 H new ATOM 0 HB1 ALA A 15 8.097 -7.446 2.665 1.00 54.14 H new ATOM 0 HB2 ALA A 15 7.515 -9.072 2.238 1.00 54.14 H new ATOM 0 HB3 ALA A 15 8.578 -8.186 1.120 1.00 54.14 H new ATOM 248 N GLU A 16 6.514 -5.072 1.499 1.00 54.22 N ATOM 249 CA GLU A 16 6.757 -3.677 1.149 1.00 64.42 C ATOM 250 C GLU A 16 8.230 -3.320 1.330 1.00 31.33 C ATOM 251 O GLU A 16 8.892 -3.810 2.246 1.00 13.03 O ATOM 252 CB GLU A 16 5.888 -2.754 2.005 1.00 41.02 C ATOM 253 CG GLU A 16 4.398 -2.924 1.763 1.00 52.24 C ATOM 254 CD GLU A 16 3.555 -2.338 2.878 1.00 12.53 C ATOM 255 OE1 GLU A 16 3.044 -1.211 2.706 1.00 52.03 O ATOM 256 OE2 GLU A 16 3.406 -3.004 3.924 1.00 62.25 O ATOM 0 H GLU A 16 6.060 -5.207 2.402 1.00 54.22 H new ATOM 0 HA GLU A 16 6.494 -3.541 0.100 1.00 64.42 H new ATOM 0 HB2 GLU A 16 6.100 -2.942 3.057 1.00 41.02 H new ATOM 0 HB3 GLU A 16 6.164 -1.719 1.804 1.00 41.02 H new ATOM 0 HG2 GLU A 16 4.130 -2.446 0.821 1.00 52.24 H new ATOM 0 HG3 GLU A 16 4.169 -3.985 1.659 1.00 52.24 H new ATOM 263 N THR A 17 8.738 -2.463 0.450 1.00 31.30 N ATOM 264 CA THR A 17 10.132 -2.041 0.511 1.00 74.32 C ATOM 265 C THR A 17 10.270 -0.554 0.206 1.00 74.12 C ATOM 266 O THR A 17 9.372 0.055 -0.376 1.00 23.23 O ATOM 267 CB THR A 17 11.004 -2.839 -0.477 1.00 32.34 C ATOM 268 OG1 THR A 17 12.336 -2.314 -0.489 1.00 31.34 O ATOM 269 CG2 THR A 17 10.420 -2.786 -1.880 1.00 55.32 C ATOM 0 H THR A 17 8.205 -2.047 -0.314 1.00 31.30 H new ATOM 0 HA THR A 17 10.477 -2.234 1.527 1.00 74.32 H new ATOM 0 HB THR A 17 11.026 -3.878 -0.150 1.00 32.34 H new ATOM 0 HG1 THR A 17 12.664 -2.232 0.431 1.00 31.34 H new ATOM 0 HG21 THR A 17 11.053 -3.357 -2.559 1.00 55.32 H new ATOM 0 HG22 THR A 17 9.417 -3.214 -1.873 1.00 55.32 H new ATOM 0 HG23 THR A 17 10.370 -1.750 -2.214 1.00 55.32 H new ATOM 277 N GLU A 18 11.399 0.024 0.602 1.00 43.24 N ATOM 278 CA GLU A 18 11.653 1.441 0.370 1.00 43.23 C ATOM 279 C GLU A 18 12.287 1.663 -1.000 1.00 45.24 C ATOM 280 O GLU A 18 12.852 0.752 -1.606 1.00 3.10 O ATOM 281 CB GLU A 18 12.564 2.004 1.463 1.00 51.53 C ATOM 282 CG GLU A 18 11.816 2.452 2.707 1.00 21.24 C ATOM 283 CD GLU A 18 11.123 3.788 2.523 1.00 21.10 C ATOM 284 OE1 GLU A 18 11.826 4.819 2.481 1.00 1.34 O ATOM 285 OE2 GLU A 18 9.879 3.802 2.421 1.00 53.43 O ATOM 0 H GLU A 18 12.152 -0.466 1.085 1.00 43.24 H new ATOM 0 HA GLU A 18 10.697 1.965 0.398 1.00 43.23 H new ATOM 0 HB2 GLU A 18 13.295 1.245 1.742 1.00 51.53 H new ATOM 0 HB3 GLU A 18 13.121 2.850 1.060 1.00 51.53 H new ATOM 0 HG2 GLU A 18 11.076 1.697 2.973 1.00 21.24 H new ATOM 0 HG3 GLU A 18 12.515 2.521 3.541 1.00 21.24 H new ATOM 292 N PRO A 19 12.192 2.903 -1.502 1.00 42.51 N ATOM 293 CA PRO A 19 12.750 3.275 -2.806 1.00 2.13 C ATOM 294 C PRO A 19 14.275 3.289 -2.801 1.00 70.41 C ATOM 295 O PRO A 19 14.908 3.305 -3.856 1.00 41.21 O ATOM 296 CB PRO A 19 12.204 4.686 -3.036 1.00 53.22 C ATOM 297 CG PRO A 19 11.944 5.220 -1.670 1.00 23.13 C ATOM 298 CD PRO A 19 11.533 4.039 -0.835 1.00 72.31 C ATOM 0 HA PRO A 19 12.474 2.564 -3.585 1.00 2.13 H new ATOM 0 HB2 PRO A 19 12.922 5.306 -3.573 1.00 53.22 H new ATOM 0 HB3 PRO A 19 11.292 4.665 -3.633 1.00 53.22 H new ATOM 0 HG2 PRO A 19 12.835 5.696 -1.261 1.00 23.13 H new ATOM 0 HG3 PRO A 19 11.159 5.976 -1.689 1.00 23.13 H new ATOM 0 HD2 PRO A 19 11.862 4.144 0.199 1.00 72.31 H new ATOM 0 HD3 PRO A 19 10.450 3.919 -0.814 1.00 72.31 H new ATOM 306 N ALA A 20 14.859 3.281 -1.607 1.00 74.11 N ATOM 307 CA ALA A 20 16.309 3.290 -1.466 1.00 23.42 C ATOM 308 C ALA A 20 16.886 1.888 -1.635 1.00 12.02 C ATOM 309 O ALA A 20 18.039 1.726 -2.031 1.00 63.20 O ATOM 310 CB ALA A 20 16.704 3.866 -0.114 1.00 64.50 C ATOM 0 H ALA A 20 14.349 3.268 -0.724 1.00 74.11 H new ATOM 0 HA ALA A 20 16.722 3.922 -2.253 1.00 23.42 H new ATOM 0 HB1 ALA A 20 17.790 3.867 -0.022 1.00 64.50 H new ATOM 0 HB2 ALA A 20 16.332 4.887 -0.031 1.00 64.50 H new ATOM 0 HB3 ALA A 20 16.273 3.257 0.681 1.00 64.50 H new ATOM 316 N GLU A 21 16.075 0.879 -1.331 1.00 3.11 N ATOM 317 CA GLU A 21 16.507 -0.509 -1.448 1.00 41.33 C ATOM 318 C GLU A 21 15.350 -1.404 -1.884 1.00 2.43 C ATOM 319 O GLU A 21 15.091 -2.443 -1.277 1.00 22.42 O ATOM 320 CB GLU A 21 17.076 -1.004 -0.117 1.00 13.53 C ATOM 321 CG GLU A 21 18.489 -0.520 0.159 1.00 44.41 C ATOM 322 CD GLU A 21 18.893 -0.693 1.610 1.00 11.13 C ATOM 323 OE1 GLU A 21 18.014 -0.569 2.489 1.00 74.14 O ATOM 324 OE2 GLU A 21 20.087 -0.952 1.868 1.00 71.01 O ATOM 0 H GLU A 21 15.117 0.997 -1.002 1.00 3.11 H new ATOM 0 HA GLU A 21 17.287 -0.557 -2.208 1.00 41.33 H new ATOM 0 HB2 GLU A 21 16.424 -0.675 0.692 1.00 13.53 H new ATOM 0 HB3 GLU A 21 17.067 -2.094 -0.111 1.00 13.53 H new ATOM 0 HG2 GLU A 21 19.186 -1.066 -0.476 1.00 44.41 H new ATOM 0 HG3 GLU A 21 18.568 0.533 -0.113 1.00 44.41 H new ATOM 331 N THR A 22 14.656 -0.992 -2.940 1.00 42.52 N ATOM 332 CA THR A 22 13.526 -1.753 -3.457 1.00 22.23 C ATOM 333 C THR A 22 13.944 -3.170 -3.833 1.00 61.10 C ATOM 334 O THR A 22 13.331 -4.145 -3.398 1.00 72.15 O ATOM 335 CB THR A 22 12.904 -1.069 -4.689 1.00 31.52 C ATOM 336 OG1 THR A 22 13.766 -0.027 -5.158 1.00 62.13 O ATOM 337 CG2 THR A 22 11.537 -0.492 -4.354 1.00 50.33 C ATOM 0 H THR A 22 14.857 -0.134 -3.454 1.00 42.52 H new ATOM 0 HA THR A 22 12.783 -1.795 -2.661 1.00 22.23 H new ATOM 0 HB THR A 22 12.783 -1.818 -5.471 1.00 31.52 H new ATOM 0 HG1 THR A 22 14.572 -0.422 -5.551 1.00 62.13 H new ATOM 0 HG21 THR A 22 11.117 -0.014 -5.239 1.00 50.33 H new ATOM 0 HG22 THR A 22 10.875 -1.293 -4.025 1.00 50.33 H new ATOM 0 HG23 THR A 22 11.638 0.245 -3.557 1.00 50.33 H new ATOM 345 N VAL A 23 14.992 -3.278 -4.643 1.00 44.53 N ATOM 346 CA VAL A 23 15.494 -4.576 -5.077 1.00 32.23 C ATOM 347 C VAL A 23 16.282 -5.260 -3.965 1.00 74.10 C ATOM 348 O VAL A 23 16.084 -6.442 -3.687 1.00 71.52 O ATOM 349 CB VAL A 23 16.392 -4.444 -6.321 1.00 72.31 C ATOM 350 CG1 VAL A 23 16.969 -5.797 -6.709 1.00 21.11 C ATOM 351 CG2 VAL A 23 15.613 -3.836 -7.478 1.00 31.43 C ATOM 0 H VAL A 23 15.510 -2.481 -5.012 1.00 44.53 H new ATOM 0 HA VAL A 23 14.625 -5.183 -5.329 1.00 32.23 H new ATOM 0 HB VAL A 23 17.221 -3.778 -6.081 1.00 72.31 H new ATOM 0 HG11 VAL A 23 17.601 -5.684 -7.590 1.00 21.11 H new ATOM 0 HG12 VAL A 23 17.564 -6.189 -5.884 1.00 21.11 H new ATOM 0 HG13 VAL A 23 16.157 -6.489 -6.931 1.00 21.11 H new ATOM 0 HG21 VAL A 23 16.263 -3.750 -8.349 1.00 31.43 H new ATOM 0 HG22 VAL A 23 14.764 -4.475 -7.721 1.00 31.43 H new ATOM 0 HG23 VAL A 23 15.253 -2.847 -7.195 1.00 31.43 H new ATOM 361 N ALA A 24 17.175 -4.508 -3.332 1.00 3.44 N ATOM 362 CA ALA A 24 17.992 -5.040 -2.248 1.00 33.31 C ATOM 363 C ALA A 24 17.123 -5.675 -1.167 1.00 41.20 C ATOM 364 O ALA A 24 17.409 -6.775 -0.694 1.00 3.45 O ATOM 365 CB ALA A 24 18.860 -3.942 -1.652 1.00 62.05 C ATOM 0 H ALA A 24 17.352 -3.528 -3.551 1.00 3.44 H new ATOM 0 HA ALA A 24 18.638 -5.815 -2.660 1.00 33.31 H new ATOM 0 HB1 ALA A 24 19.464 -4.354 -0.844 1.00 62.05 H new ATOM 0 HB2 ALA A 24 19.514 -3.536 -2.424 1.00 62.05 H new ATOM 0 HB3 ALA A 24 18.224 -3.148 -1.261 1.00 62.05 H new ATOM 371 N ASP A 25 16.062 -4.975 -0.781 1.00 1.12 N ATOM 372 CA ASP A 25 15.151 -5.470 0.245 1.00 62.44 C ATOM 373 C ASP A 25 14.585 -6.833 -0.144 1.00 4.14 C ATOM 374 O ASP A 25 14.342 -7.683 0.714 1.00 55.02 O ATOM 375 CB ASP A 25 14.011 -4.476 0.468 1.00 40.31 C ATOM 376 CG ASP A 25 13.132 -4.857 1.642 1.00 34.24 C ATOM 377 OD1 ASP A 25 12.107 -4.177 1.863 1.00 63.24 O ATOM 378 OD2 ASP A 25 13.467 -5.836 2.341 1.00 62.21 O ATOM 0 H ASP A 25 15.811 -4.063 -1.163 1.00 1.12 H new ATOM 0 HA ASP A 25 15.713 -5.580 1.173 1.00 62.44 H new ATOM 0 HB2 ASP A 25 14.427 -3.483 0.637 1.00 40.31 H new ATOM 0 HB3 ASP A 25 13.402 -4.418 -0.434 1.00 40.31 H new ATOM 383 N LEU A 26 14.378 -7.034 -1.440 1.00 52.22 N ATOM 384 CA LEU A 26 13.839 -8.293 -1.943 1.00 24.12 C ATOM 385 C LEU A 26 14.915 -9.375 -1.966 1.00 12.52 C ATOM 386 O LEU A 26 14.695 -10.494 -1.504 1.00 32.34 O ATOM 387 CB LEU A 26 13.264 -8.100 -3.347 1.00 32.22 C ATOM 388 CG LEU A 26 12.001 -8.900 -3.670 1.00 50.52 C ATOM 389 CD1 LEU A 26 12.288 -10.392 -3.623 1.00 75.33 C ATOM 390 CD2 LEU A 26 10.880 -8.539 -2.706 1.00 62.20 C ATOM 0 H LEU A 26 14.575 -6.341 -2.162 1.00 52.22 H new ATOM 0 HA LEU A 26 13.042 -8.613 -1.272 1.00 24.12 H new ATOM 0 HB2 LEU A 26 13.045 -7.041 -3.486 1.00 32.22 H new ATOM 0 HB3 LEU A 26 14.033 -8.364 -4.073 1.00 32.22 H new ATOM 0 HG LEU A 26 11.680 -8.645 -4.680 1.00 50.52 H new ATOM 0 HD11 LEU A 26 11.378 -10.945 -3.855 1.00 75.33 H new ATOM 0 HD12 LEU A 26 13.058 -10.638 -4.354 1.00 75.33 H new ATOM 0 HD13 LEU A 26 12.634 -10.665 -2.626 1.00 75.33 H new ATOM 0 HD21 LEU A 26 9.989 -9.118 -2.951 1.00 62.20 H new ATOM 0 HD22 LEU A 26 11.191 -8.765 -1.686 1.00 62.20 H new ATOM 0 HD23 LEU A 26 10.656 -7.476 -2.790 1.00 62.20 H new ATOM 402 N LYS A 27 16.080 -9.032 -2.505 1.00 13.30 N ATOM 403 CA LYS A 27 17.192 -9.971 -2.586 1.00 20.04 C ATOM 404 C LYS A 27 17.636 -10.410 -1.194 1.00 11.43 C ATOM 405 O LYS A 27 18.060 -11.548 -0.998 1.00 71.24 O ATOM 406 CB LYS A 27 18.368 -9.337 -3.332 1.00 25.44 C ATOM 407 CG LYS A 27 17.981 -8.714 -4.661 1.00 53.12 C ATOM 408 CD LYS A 27 19.049 -8.943 -5.717 1.00 42.31 C ATOM 409 CE LYS A 27 18.724 -10.147 -6.588 1.00 12.34 C ATOM 410 NZ LYS A 27 19.293 -10.011 -7.957 1.00 73.01 N ATOM 0 H LYS A 27 16.278 -8.110 -2.893 1.00 13.30 H new ATOM 0 HA LYS A 27 16.854 -10.850 -3.134 1.00 20.04 H new ATOM 0 HB2 LYS A 27 18.819 -8.572 -2.699 1.00 25.44 H new ATOM 0 HB3 LYS A 27 19.130 -10.097 -3.505 1.00 25.44 H new ATOM 0 HG2 LYS A 27 17.036 -9.137 -5.001 1.00 53.12 H new ATOM 0 HG3 LYS A 27 17.822 -7.644 -4.529 1.00 53.12 H new ATOM 0 HD2 LYS A 27 19.140 -8.055 -6.342 1.00 42.31 H new ATOM 0 HD3 LYS A 27 20.014 -9.093 -5.233 1.00 42.31 H new ATOM 0 HE2 LYS A 27 19.116 -11.050 -6.120 1.00 12.34 H new ATOM 0 HE3 LYS A 27 17.643 -10.266 -6.654 1.00 12.34 H new ATOM 0 HZ1 LYS A 27 18.521 -9.882 -8.642 1.00 73.01 H new ATOM 0 HZ2 LYS A 27 19.926 -9.187 -7.989 1.00 73.01 H new ATOM 0 HZ3 LYS A 27 19.829 -10.869 -8.197 1.00 73.01 H new ATOM 424 N GLN A 28 17.534 -9.499 -0.231 1.00 33.22 N ATOM 425 CA GLN A 28 17.924 -9.794 1.143 1.00 42.22 C ATOM 426 C GLN A 28 16.870 -10.650 1.837 1.00 40.12 C ATOM 427 O GLN A 28 17.193 -11.497 2.670 1.00 74.44 O ATOM 428 CB GLN A 28 18.139 -8.496 1.924 1.00 63.13 C ATOM 429 CG GLN A 28 18.768 -8.706 3.292 1.00 74.41 C ATOM 430 CD GLN A 28 20.283 -8.725 3.242 1.00 73.34 C ATOM 431 OE1 GLN A 28 20.913 -9.736 3.555 1.00 41.32 O ATOM 432 NE2 GLN A 28 20.876 -7.605 2.846 1.00 22.31 N ATOM 0 H GLN A 28 17.185 -8.552 -0.377 1.00 33.22 H new ATOM 0 HA GLN A 28 18.859 -10.353 1.116 1.00 42.22 H new ATOM 0 HB2 GLN A 28 18.775 -7.831 1.339 1.00 63.13 H new ATOM 0 HB3 GLN A 28 17.180 -7.993 2.048 1.00 63.13 H new ATOM 0 HG2 GLN A 28 18.441 -7.912 3.964 1.00 74.41 H new ATOM 0 HG3 GLN A 28 18.410 -9.646 3.711 1.00 74.41 H new ATOM 0 HE21 GLN A 28 20.314 -6.791 2.596 1.00 22.31 H new ATOM 0 HE22 GLN A 28 21.893 -7.558 2.792 1.00 22.31 H new ATOM 441 N LYS A 29 15.608 -10.423 1.489 1.00 51.02 N ATOM 442 CA LYS A 29 14.505 -11.173 2.077 1.00 72.51 C ATOM 443 C LYS A 29 14.707 -12.674 1.891 1.00 43.20 C ATOM 444 O LYS A 29 14.650 -13.441 2.852 1.00 31.05 O ATOM 445 CB LYS A 29 13.177 -10.745 1.448 1.00 60.52 C ATOM 446 CG LYS A 29 12.465 -9.648 2.219 1.00 55.23 C ATOM 447 CD LYS A 29 11.412 -8.960 1.365 1.00 5.32 C ATOM 448 CE LYS A 29 10.328 -9.932 0.926 1.00 42.42 C ATOM 449 NZ LYS A 29 9.728 -10.653 2.082 1.00 24.21 N ATOM 0 H LYS A 29 15.324 -9.725 0.802 1.00 51.02 H new ATOM 0 HA LYS A 29 14.481 -10.957 3.145 1.00 72.51 H new ATOM 0 HB2 LYS A 29 13.361 -10.402 0.430 1.00 60.52 H new ATOM 0 HB3 LYS A 29 12.521 -11.613 1.378 1.00 60.52 H new ATOM 0 HG2 LYS A 29 11.995 -10.072 3.107 1.00 55.23 H new ATOM 0 HG3 LYS A 29 13.192 -8.913 2.564 1.00 55.23 H new ATOM 0 HD2 LYS A 29 10.962 -8.142 1.928 1.00 5.32 H new ATOM 0 HD3 LYS A 29 11.885 -8.520 0.487 1.00 5.32 H new ATOM 0 HE2 LYS A 29 9.548 -9.389 0.392 1.00 42.42 H new ATOM 0 HE3 LYS A 29 10.749 -10.654 0.227 1.00 42.42 H new ATOM 0 HZ1 LYS A 29 8.886 -11.175 1.766 1.00 24.21 H new ATOM 0 HZ2 LYS A 29 10.423 -11.320 2.474 1.00 24.21 H new ATOM 0 HZ3 LYS A 29 9.455 -9.968 2.815 1.00 24.21 H new ATOM 463 N ILE A 30 14.946 -13.085 0.650 1.00 14.21 N ATOM 464 CA ILE A 30 15.159 -14.493 0.340 1.00 42.10 C ATOM 465 C ILE A 30 16.546 -14.948 0.780 1.00 65.32 C ATOM 466 O ILE A 30 16.713 -16.051 1.301 1.00 52.15 O ATOM 467 CB ILE A 30 14.994 -14.769 -1.166 1.00 61.02 C ATOM 468 CG1 ILE A 30 13.581 -14.400 -1.623 1.00 30.55 C ATOM 469 CG2 ILE A 30 15.292 -16.229 -1.473 1.00 33.23 C ATOM 470 CD1 ILE A 30 13.485 -13.023 -2.239 1.00 42.51 C ATOM 0 H ILE A 30 14.997 -12.463 -0.157 1.00 14.21 H new ATOM 0 HA ILE A 30 14.403 -15.055 0.889 1.00 42.10 H new ATOM 0 HB ILE A 30 15.705 -14.151 -1.714 1.00 61.02 H new ATOM 0 HG12 ILE A 30 13.238 -15.138 -2.348 1.00 30.55 H new ATOM 0 HG13 ILE A 30 12.906 -14.455 -0.769 1.00 30.55 H new ATOM 0 HG21 ILE A 30 15.171 -16.408 -2.541 1.00 33.23 H new ATOM 0 HG22 ILE A 30 16.316 -16.461 -1.180 1.00 33.23 H new ATOM 0 HG23 ILE A 30 14.603 -16.866 -0.918 1.00 33.23 H new ATOM 0 HD11 ILE A 30 12.455 -12.830 -2.539 1.00 42.51 H new ATOM 0 HD12 ILE A 30 13.797 -12.276 -1.509 1.00 42.51 H new ATOM 0 HD13 ILE A 30 14.134 -12.969 -3.113 1.00 42.51 H new ATOM 482 N ALA A 31 17.540 -14.091 0.568 1.00 15.12 N ATOM 483 CA ALA A 31 18.912 -14.403 0.946 1.00 21.23 C ATOM 484 C ALA A 31 19.000 -14.801 2.416 1.00 52.31 C ATOM 485 O ALA A 31 19.699 -15.750 2.771 1.00 14.14 O ATOM 486 CB ALA A 31 19.821 -13.216 0.664 1.00 53.14 C ATOM 0 H ALA A 31 17.420 -13.175 0.136 1.00 15.12 H new ATOM 0 HA ALA A 31 19.243 -15.251 0.346 1.00 21.23 H new ATOM 0 HB1 ALA A 31 20.843 -13.464 0.951 1.00 53.14 H new ATOM 0 HB2 ALA A 31 19.791 -12.979 -0.399 1.00 53.14 H new ATOM 0 HB3 ALA A 31 19.482 -12.354 1.238 1.00 53.14 H new ATOM 492 N ASP A 32 18.288 -14.069 3.265 1.00 15.33 N ATOM 493 CA ASP A 32 18.285 -14.345 4.697 1.00 32.41 C ATOM 494 C ASP A 32 17.413 -15.557 5.015 1.00 45.41 C ATOM 495 O ASP A 32 17.615 -16.233 6.024 1.00 10.50 O ATOM 496 CB ASP A 32 17.786 -13.125 5.473 1.00 22.20 C ATOM 497 CG ASP A 32 18.214 -13.149 6.927 1.00 25.11 C ATOM 498 OD1 ASP A 32 19.414 -12.926 7.197 1.00 55.04 O ATOM 499 OD2 ASP A 32 17.351 -13.390 7.796 1.00 75.03 O ATOM 0 H ASP A 32 17.705 -13.280 2.987 1.00 15.33 H new ATOM 0 HA ASP A 32 19.308 -14.565 5.001 1.00 32.41 H new ATOM 0 HB2 ASP A 32 18.164 -12.218 5.001 1.00 22.20 H new ATOM 0 HB3 ASP A 32 16.698 -13.083 5.418 1.00 22.20 H new ATOM 504 N LYS A 33 16.443 -15.825 4.148 1.00 44.05 N ATOM 505 CA LYS A 33 15.540 -16.954 4.334 1.00 24.42 C ATOM 506 C LYS A 33 16.252 -18.273 4.047 1.00 13.15 C ATOM 507 O LYS A 33 16.137 -19.229 4.813 1.00 32.31 O ATOM 508 CB LYS A 33 14.319 -16.813 3.423 1.00 32.23 C ATOM 509 CG LYS A 33 13.306 -17.933 3.587 1.00 55.14 C ATOM 510 CD LYS A 33 11.984 -17.590 2.921 1.00 75.15 C ATOM 511 CE LYS A 33 12.130 -17.490 1.410 1.00 71.21 C ATOM 512 NZ LYS A 33 12.589 -18.774 0.811 1.00 75.21 N ATOM 0 H LYS A 33 16.262 -15.275 3.308 1.00 44.05 H new ATOM 0 HA LYS A 33 15.212 -16.957 5.373 1.00 24.42 H new ATOM 0 HB2 LYS A 33 13.831 -15.860 3.628 1.00 32.23 H new ATOM 0 HB3 LYS A 33 14.652 -16.784 2.385 1.00 32.23 H new ATOM 0 HG2 LYS A 33 13.704 -18.851 3.156 1.00 55.14 H new ATOM 0 HG3 LYS A 33 13.142 -18.124 4.647 1.00 55.14 H new ATOM 0 HD2 LYS A 33 11.244 -18.351 3.166 1.00 75.15 H new ATOM 0 HD3 LYS A 33 11.612 -16.644 3.315 1.00 75.15 H new ATOM 0 HE2 LYS A 33 11.174 -17.206 0.971 1.00 71.21 H new ATOM 0 HE3 LYS A 33 12.841 -16.701 1.165 1.00 71.21 H new ATOM 0 HZ1 LYS A 33 12.255 -18.838 -0.172 1.00 75.21 H new ATOM 0 HZ2 LYS A 33 13.628 -18.813 0.827 1.00 75.21 H new ATOM 0 HZ3 LYS A 33 12.205 -19.570 1.359 1.00 75.21 H new ATOM 526 N GLU A 34 16.987 -18.315 2.941 1.00 43.01 N ATOM 527 CA GLU A 34 17.717 -19.517 2.555 1.00 4.20 C ATOM 528 C GLU A 34 19.195 -19.394 2.914 1.00 25.20 C ATOM 529 O GLU A 34 20.012 -20.228 2.523 1.00 14.33 O ATOM 530 CB GLU A 34 17.565 -19.773 1.054 1.00 4.12 C ATOM 531 CG GLU A 34 16.243 -20.419 0.678 1.00 73.21 C ATOM 532 CD GLU A 34 16.025 -20.472 -0.822 1.00 21.32 C ATOM 533 OE1 GLU A 34 17.010 -20.699 -1.556 1.00 11.11 O ATOM 534 OE2 GLU A 34 14.871 -20.287 -1.261 1.00 62.24 O ATOM 0 H GLU A 34 17.093 -17.531 2.297 1.00 43.01 H new ATOM 0 HA GLU A 34 17.296 -20.359 3.104 1.00 4.20 H new ATOM 0 HB2 GLU A 34 17.662 -18.827 0.521 1.00 4.12 H new ATOM 0 HB3 GLU A 34 18.381 -20.413 0.719 1.00 4.12 H new ATOM 0 HG2 GLU A 34 16.209 -21.431 1.082 1.00 73.21 H new ATOM 0 HG3 GLU A 34 15.427 -19.864 1.141 1.00 73.21 H new ATOM 541 N GLY A 35 19.532 -18.347 3.661 1.00 23.12 N ATOM 542 CA GLY A 35 20.911 -18.133 4.060 1.00 21.21 C ATOM 543 C GLY A 35 21.867 -18.170 2.884 1.00 1.34 C ATOM 544 O GLY A 35 23.017 -18.587 3.023 1.00 42.44 O ATOM 0 H GLY A 35 18.875 -17.643 3.997 1.00 23.12 H new ATOM 0 HA2 GLY A 35 20.995 -17.169 4.563 1.00 21.21 H new ATOM 0 HA3 GLY A 35 21.199 -18.896 4.783 1.00 21.21 H new ATOM 548 N VAL A 36 21.391 -17.733 1.723 1.00 71.45 N ATOM 549 CA VAL A 36 22.211 -17.718 0.517 1.00 21.32 C ATOM 550 C VAL A 36 22.492 -16.291 0.061 1.00 14.22 C ATOM 551 O VAL A 36 21.749 -15.358 0.367 1.00 54.23 O ATOM 552 CB VAL A 36 21.534 -18.489 -0.632 1.00 25.01 C ATOM 553 CG1 VAL A 36 21.679 -19.989 -0.426 1.00 74.34 C ATOM 554 CG2 VAL A 36 20.069 -18.097 -0.746 1.00 2.51 C ATOM 0 H VAL A 36 20.441 -17.384 1.592 1.00 71.45 H new ATOM 0 HA VAL A 36 23.152 -18.208 0.768 1.00 21.32 H new ATOM 0 HB VAL A 36 22.030 -18.225 -1.566 1.00 25.01 H new ATOM 0 HG11 VAL A 36 21.195 -20.518 -1.247 1.00 74.34 H new ATOM 0 HG12 VAL A 36 22.736 -20.252 -0.399 1.00 74.34 H new ATOM 0 HG13 VAL A 36 21.210 -20.274 0.516 1.00 74.34 H new ATOM 0 HG21 VAL A 36 19.607 -18.651 -1.563 1.00 2.51 H new ATOM 0 HG22 VAL A 36 19.556 -18.330 0.187 1.00 2.51 H new ATOM 0 HG23 VAL A 36 19.993 -17.028 -0.944 1.00 2.51 H new ATOM 564 N PRO A 37 23.590 -16.114 -0.689 1.00 34.24 N ATOM 565 CA PRO A 37 23.993 -14.803 -1.204 1.00 44.23 C ATOM 566 C PRO A 37 23.051 -14.291 -2.289 1.00 23.04 C ATOM 567 O PRO A 37 22.538 -15.066 -3.096 1.00 21.13 O ATOM 568 CB PRO A 37 25.386 -15.063 -1.785 1.00 34.31 C ATOM 569 CG PRO A 37 25.390 -16.515 -2.121 1.00 42.55 C ATOM 570 CD PRO A 37 24.521 -17.181 -1.091 1.00 70.33 C ATOM 0 HA PRO A 37 23.975 -14.038 -0.428 1.00 44.23 H new ATOM 0 HB2 PRO A 37 25.567 -14.451 -2.669 1.00 34.31 H new ATOM 0 HB3 PRO A 37 26.167 -14.821 -1.064 1.00 34.31 H new ATOM 0 HG2 PRO A 37 25.003 -16.684 -3.126 1.00 42.55 H new ATOM 0 HG3 PRO A 37 26.402 -16.918 -2.097 1.00 42.55 H new ATOM 0 HD2 PRO A 37 23.993 -18.040 -1.505 1.00 70.33 H new ATOM 0 HD3 PRO A 37 25.106 -17.544 -0.246 1.00 70.33 H new ATOM 578 N VAL A 38 22.828 -12.981 -2.302 1.00 42.42 N ATOM 579 CA VAL A 38 21.949 -12.365 -3.289 1.00 32.12 C ATOM 580 C VAL A 38 22.446 -12.626 -4.706 1.00 53.44 C ATOM 581 O VAL A 38 21.669 -12.602 -5.662 1.00 3.25 O ATOM 582 CB VAL A 38 21.834 -10.845 -3.068 1.00 24.01 C ATOM 583 CG1 VAL A 38 21.346 -10.545 -1.659 1.00 24.32 C ATOM 584 CG2 VAL A 38 23.170 -10.166 -3.334 1.00 74.52 C ATOM 0 H VAL A 38 23.244 -12.326 -1.640 1.00 42.42 H new ATOM 0 HA VAL A 38 20.965 -12.818 -3.163 1.00 32.12 H new ATOM 0 HB VAL A 38 21.103 -10.447 -3.772 1.00 24.01 H new ATOM 0 HG11 VAL A 38 21.271 -9.466 -1.522 1.00 24.32 H new ATOM 0 HG12 VAL A 38 20.366 -10.999 -1.509 1.00 24.32 H new ATOM 0 HG13 VAL A 38 22.050 -10.955 -0.935 1.00 24.32 H new ATOM 0 HG21 VAL A 38 23.071 -9.092 -3.173 1.00 74.52 H new ATOM 0 HG22 VAL A 38 23.923 -10.567 -2.655 1.00 74.52 H new ATOM 0 HG23 VAL A 38 23.474 -10.352 -4.364 1.00 74.52 H new ATOM 594 N ASP A 39 23.744 -12.875 -4.836 1.00 1.34 N ATOM 595 CA ASP A 39 24.346 -13.142 -6.137 1.00 54.30 C ATOM 596 C ASP A 39 23.725 -14.379 -6.779 1.00 51.40 C ATOM 597 O ASP A 39 23.743 -14.530 -8.000 1.00 70.21 O ATOM 598 CB ASP A 39 25.857 -13.329 -5.995 1.00 71.33 C ATOM 599 CG ASP A 39 26.522 -12.162 -5.292 1.00 73.31 C ATOM 600 OD1 ASP A 39 27.288 -12.404 -4.336 1.00 1.12 O ATOM 601 OD2 ASP A 39 26.276 -11.008 -5.698 1.00 44.55 O ATOM 0 H ASP A 39 24.400 -12.898 -4.056 1.00 1.34 H new ATOM 0 HA ASP A 39 24.154 -12.285 -6.782 1.00 54.30 H new ATOM 0 HB2 ASP A 39 26.056 -14.245 -5.439 1.00 71.33 H new ATOM 0 HB3 ASP A 39 26.299 -13.454 -6.984 1.00 71.33 H new ATOM 606 N GLN A 40 23.178 -15.259 -5.947 1.00 61.44 N ATOM 607 CA GLN A 40 22.554 -16.484 -6.435 1.00 12.23 C ATOM 608 C GLN A 40 21.117 -16.224 -6.876 1.00 43.11 C ATOM 609 O GLN A 40 20.524 -17.029 -7.593 1.00 50.24 O ATOM 610 CB GLN A 40 22.579 -17.561 -5.349 1.00 63.21 C ATOM 611 CG GLN A 40 22.688 -18.975 -5.898 1.00 10.25 C ATOM 612 CD GLN A 40 23.070 -19.986 -4.834 1.00 55.41 C ATOM 613 OE1 GLN A 40 24.136 -20.598 -4.897 1.00 50.13 O ATOM 614 NE2 GLN A 40 22.198 -20.166 -3.848 1.00 40.15 N ATOM 0 H GLN A 40 23.154 -15.147 -4.933 1.00 61.44 H new ATOM 0 HA GLN A 40 23.122 -16.833 -7.297 1.00 12.23 H new ATOM 0 HB2 GLN A 40 23.420 -17.373 -4.682 1.00 63.21 H new ATOM 0 HB3 GLN A 40 21.672 -17.482 -4.749 1.00 63.21 H new ATOM 0 HG2 GLN A 40 21.735 -19.263 -6.342 1.00 10.25 H new ATOM 0 HG3 GLN A 40 23.430 -18.995 -6.696 1.00 10.25 H new ATOM 0 HE21 GLN A 40 21.326 -19.637 -3.835 1.00 40.15 H new ATOM 0 HE22 GLN A 40 22.401 -20.833 -3.104 1.00 40.15 H new ATOM 623 N GLN A 41 20.565 -15.096 -6.442 1.00 50.52 N ATOM 624 CA GLN A 41 19.197 -14.731 -6.792 1.00 63.14 C ATOM 625 C GLN A 41 19.181 -13.636 -7.853 1.00 55.43 C ATOM 626 O GLN A 41 19.998 -12.716 -7.822 1.00 40.45 O ATOM 627 CB GLN A 41 18.437 -14.265 -5.549 1.00 70.44 C ATOM 628 CG GLN A 41 18.421 -15.290 -4.426 1.00 43.15 C ATOM 629 CD GLN A 41 18.557 -14.656 -3.056 1.00 51.11 C ATOM 630 OE1 GLN A 41 19.326 -15.124 -2.216 1.00 43.23 O ATOM 631 NE2 GLN A 41 17.808 -13.584 -2.823 1.00 22.34 N ATOM 0 H GLN A 41 21.043 -14.419 -5.848 1.00 50.52 H new ATOM 0 HA GLN A 41 18.705 -15.614 -7.200 1.00 63.14 H new ATOM 0 HB2 GLN A 41 18.888 -13.343 -5.182 1.00 70.44 H new ATOM 0 HB3 GLN A 41 17.410 -14.028 -5.828 1.00 70.44 H new ATOM 0 HG2 GLN A 41 17.491 -15.856 -4.469 1.00 43.15 H new ATOM 0 HG3 GLN A 41 19.234 -16.000 -4.576 1.00 43.15 H new ATOM 0 HE21 GLN A 41 17.184 -13.230 -3.548 1.00 22.34 H new ATOM 0 HE22 GLN A 41 17.857 -13.115 -1.919 1.00 22.34 H new ATOM 640 N ARG A 42 18.245 -13.741 -8.791 1.00 73.21 N ATOM 641 CA ARG A 42 18.123 -12.760 -9.863 1.00 32.14 C ATOM 642 C ARG A 42 16.668 -12.340 -10.052 1.00 61.35 C ATOM 643 O ARG A 42 15.779 -13.183 -10.183 1.00 64.24 O ATOM 644 CB ARG A 42 18.675 -13.330 -11.170 1.00 70.53 C ATOM 645 CG ARG A 42 19.315 -12.285 -12.069 1.00 1.34 C ATOM 646 CD ARG A 42 20.328 -12.909 -13.016 1.00 12.31 C ATOM 647 NE ARG A 42 21.095 -11.899 -13.740 1.00 1.53 N ATOM 648 CZ ARG A 42 20.646 -11.268 -14.819 1.00 73.22 C ATOM 649 NH1 ARG A 42 19.440 -11.542 -15.297 1.00 72.31 N ATOM 650 NH2 ARG A 42 21.403 -10.361 -15.423 1.00 21.13 N ATOM 0 H ARG A 42 17.560 -14.496 -8.830 1.00 73.21 H new ATOM 0 HA ARG A 42 18.704 -11.881 -9.585 1.00 32.14 H new ATOM 0 HB2 ARG A 42 19.413 -14.098 -10.938 1.00 70.53 H new ATOM 0 HB3 ARG A 42 17.866 -13.818 -11.714 1.00 70.53 H new ATOM 0 HG2 ARG A 42 18.542 -11.777 -12.645 1.00 1.34 H new ATOM 0 HG3 ARG A 42 19.806 -11.528 -11.457 1.00 1.34 H new ATOM 0 HD2 ARG A 42 21.009 -13.545 -12.450 1.00 12.31 H new ATOM 0 HD3 ARG A 42 19.810 -13.551 -13.729 1.00 12.31 H new ATOM 0 HE ARG A 42 22.027 -11.665 -13.398 1.00 1.53 H new ATOM 0 HH11 ARG A 42 18.855 -12.239 -14.836 1.00 72.31 H new ATOM 0 HH12 ARG A 42 19.097 -11.056 -16.126 1.00 72.31 H new ATOM 0 HH21 ARG A 42 22.331 -10.147 -15.059 1.00 21.13 H new ATOM 0 HH22 ARG A 42 21.056 -9.877 -16.252 1.00 21.13 H new ATOM 664 N LEU A 43 16.432 -11.033 -10.066 1.00 21.11 N ATOM 665 CA LEU A 43 15.085 -10.501 -10.239 1.00 40.43 C ATOM 666 C LEU A 43 14.883 -9.982 -11.660 1.00 20.25 C ATOM 667 O LEU A 43 15.671 -9.176 -12.154 1.00 42.32 O ATOM 668 CB LEU A 43 14.826 -9.378 -9.233 1.00 34.32 C ATOM 669 CG LEU A 43 14.597 -9.815 -7.785 1.00 51.42 C ATOM 670 CD1 LEU A 43 14.673 -8.619 -6.849 1.00 15.41 C ATOM 671 CD2 LEU A 43 13.255 -10.519 -7.646 1.00 62.12 C ATOM 0 H LEU A 43 17.156 -10.322 -9.960 1.00 21.11 H new ATOM 0 HA LEU A 43 14.376 -11.310 -10.062 1.00 40.43 H new ATOM 0 HB2 LEU A 43 15.674 -8.694 -9.255 1.00 34.32 H new ATOM 0 HB3 LEU A 43 13.954 -8.815 -9.564 1.00 34.32 H new ATOM 0 HG LEU A 43 15.383 -10.518 -7.509 1.00 51.42 H new ATOM 0 HD11 LEU A 43 14.508 -8.949 -5.823 1.00 15.41 H new ATOM 0 HD12 LEU A 43 15.657 -8.157 -6.928 1.00 15.41 H new ATOM 0 HD13 LEU A 43 13.909 -7.892 -7.124 1.00 15.41 H new ATOM 0 HD21 LEU A 43 13.109 -10.823 -6.609 1.00 62.12 H new ATOM 0 HD22 LEU A 43 12.455 -9.839 -7.941 1.00 62.12 H new ATOM 0 HD23 LEU A 43 13.238 -11.400 -8.288 1.00 62.12 H new ATOM 683 N ILE A 44 13.822 -10.449 -12.309 1.00 12.33 N ATOM 684 CA ILE A 44 13.515 -10.029 -13.671 1.00 33.45 C ATOM 685 C ILE A 44 12.035 -9.692 -13.821 1.00 43.34 C ATOM 686 O ILE A 44 11.172 -10.372 -13.265 1.00 45.45 O ATOM 687 CB ILE A 44 13.888 -11.119 -14.693 1.00 32.22 C ATOM 688 CG1 ILE A 44 15.359 -11.510 -14.540 1.00 62.10 C ATOM 689 CG2 ILE A 44 13.607 -10.637 -16.108 1.00 15.41 C ATOM 690 CD1 ILE A 44 15.742 -12.742 -15.329 1.00 61.43 C ATOM 0 H ILE A 44 13.161 -11.118 -11.914 1.00 12.33 H new ATOM 0 HA ILE A 44 14.110 -9.138 -13.869 1.00 33.45 H new ATOM 0 HB ILE A 44 13.275 -12.000 -14.502 1.00 32.22 H new ATOM 0 HG12 ILE A 44 15.983 -10.675 -14.859 1.00 62.10 H new ATOM 0 HG13 ILE A 44 15.573 -11.683 -13.485 1.00 62.10 H new ATOM 0 HG21 ILE A 44 13.876 -11.418 -16.819 1.00 15.41 H new ATOM 0 HG22 ILE A 44 12.547 -10.404 -16.209 1.00 15.41 H new ATOM 0 HG23 ILE A 44 14.196 -9.743 -16.312 1.00 15.41 H new ATOM 0 HD11 ILE A 44 16.799 -12.960 -15.173 1.00 61.43 H new ATOM 0 HD12 ILE A 44 15.143 -13.589 -14.994 1.00 61.43 H new ATOM 0 HD13 ILE A 44 15.560 -12.566 -16.389 1.00 61.43 H new ATOM 702 N PHE A 45 11.749 -8.638 -14.579 1.00 12.14 N ATOM 703 CA PHE A 45 10.373 -8.210 -14.804 1.00 42.11 C ATOM 704 C PHE A 45 10.033 -8.232 -16.292 1.00 24.45 C ATOM 705 O PHE A 45 10.485 -7.380 -17.055 1.00 40.42 O ATOM 706 CB PHE A 45 10.155 -6.804 -14.241 1.00 3.01 C ATOM 707 CG PHE A 45 8.709 -6.461 -14.027 1.00 33.40 C ATOM 708 CD1 PHE A 45 8.224 -6.206 -12.754 1.00 63.42 C ATOM 709 CD2 PHE A 45 7.833 -6.395 -15.099 1.00 30.03 C ATOM 710 CE1 PHE A 45 6.894 -5.891 -12.554 1.00 14.42 C ATOM 711 CE2 PHE A 45 6.502 -6.079 -14.905 1.00 34.34 C ATOM 712 CZ PHE A 45 6.031 -5.828 -13.630 1.00 40.05 C ATOM 0 H PHE A 45 12.451 -8.065 -15.047 1.00 12.14 H new ATOM 0 HA PHE A 45 9.713 -8.907 -14.288 1.00 42.11 H new ATOM 0 HB2 PHE A 45 10.685 -6.715 -13.293 1.00 3.01 H new ATOM 0 HB3 PHE A 45 10.596 -6.076 -14.922 1.00 3.01 H new ATOM 0 HD1 PHE A 45 8.894 -6.254 -11.908 1.00 63.42 H new ATOM 0 HD2 PHE A 45 8.195 -6.593 -16.097 1.00 30.03 H new ATOM 0 HE1 PHE A 45 6.529 -5.694 -11.557 1.00 14.42 H new ATOM 0 HE2 PHE A 45 5.830 -6.028 -15.749 1.00 34.34 H new ATOM 0 HZ PHE A 45 4.990 -5.583 -13.476 1.00 40.05 H new ATOM 722 N ALA A 46 9.235 -9.215 -16.695 1.00 53.01 N ATOM 723 CA ALA A 46 8.833 -9.349 -18.090 1.00 12.32 C ATOM 724 C ALA A 46 10.044 -9.311 -19.016 1.00 74.20 C ATOM 725 O ALA A 46 9.962 -8.820 -20.141 1.00 11.01 O ATOM 726 CB ALA A 46 7.847 -8.252 -18.462 1.00 54.44 C ATOM 0 H ALA A 46 8.854 -9.930 -16.076 1.00 53.01 H new ATOM 0 HA ALA A 46 8.346 -10.317 -18.211 1.00 12.32 H new ATOM 0 HB1 ALA A 46 7.555 -8.364 -19.506 1.00 54.44 H new ATOM 0 HB2 ALA A 46 6.963 -8.327 -17.828 1.00 54.44 H new ATOM 0 HB3 ALA A 46 8.315 -7.278 -18.318 1.00 54.44 H new ATOM 732 N GLY A 47 11.168 -9.833 -18.535 1.00 31.24 N ATOM 733 CA GLY A 47 12.380 -9.848 -19.333 1.00 31.34 C ATOM 734 C GLY A 47 13.252 -8.634 -19.085 1.00 2.41 C ATOM 735 O GLY A 47 14.131 -8.316 -19.887 1.00 75.22 O ATOM 0 H GLY A 47 11.261 -10.246 -17.607 1.00 31.24 H new ATOM 0 HA2 GLY A 47 12.948 -10.751 -19.109 1.00 31.34 H new ATOM 0 HA3 GLY A 47 12.115 -9.892 -20.389 1.00 31.34 H new ATOM 739 N LYS A 48 13.010 -7.950 -17.971 1.00 71.34 N ATOM 740 CA LYS A 48 13.779 -6.763 -17.619 1.00 42.11 C ATOM 741 C LYS A 48 14.604 -7.003 -16.359 1.00 21.12 C ATOM 742 O LYS A 48 14.061 -7.336 -15.306 1.00 23.42 O ATOM 743 CB LYS A 48 12.845 -5.569 -17.410 1.00 44.53 C ATOM 744 CG LYS A 48 13.577 -4.251 -17.220 1.00 14.15 C ATOM 745 CD LYS A 48 13.800 -3.540 -18.544 1.00 35.11 C ATOM 746 CE LYS A 48 15.102 -3.975 -19.198 1.00 31.52 C ATOM 747 NZ LYS A 48 15.596 -2.966 -20.175 1.00 63.40 N ATOM 0 H LYS A 48 12.286 -8.198 -17.296 1.00 71.34 H new ATOM 0 HA LYS A 48 14.460 -6.545 -18.442 1.00 42.11 H new ATOM 0 HB2 LYS A 48 12.179 -5.485 -18.269 1.00 44.53 H new ATOM 0 HB3 LYS A 48 12.219 -5.756 -16.538 1.00 44.53 H new ATOM 0 HG2 LYS A 48 13.003 -3.608 -16.553 1.00 14.15 H new ATOM 0 HG3 LYS A 48 14.537 -4.434 -16.738 1.00 14.15 H new ATOM 0 HD2 LYS A 48 12.967 -3.749 -19.215 1.00 35.11 H new ATOM 0 HD3 LYS A 48 13.816 -2.462 -18.381 1.00 35.11 H new ATOM 0 HE2 LYS A 48 15.858 -4.137 -18.430 1.00 31.52 H new ATOM 0 HE3 LYS A 48 14.953 -4.929 -19.705 1.00 31.52 H new ATOM 0 HZ1 LYS A 48 16.485 -3.300 -20.599 1.00 63.40 H new ATOM 0 HZ2 LYS A 48 14.886 -2.830 -20.922 1.00 63.40 H new ATOM 0 HZ3 LYS A 48 15.763 -2.063 -19.687 1.00 63.40 H new ATOM 761 N GLN A 49 15.917 -6.830 -16.474 1.00 72.33 N ATOM 762 CA GLN A 49 16.815 -7.028 -15.343 1.00 43.10 C ATOM 763 C GLN A 49 16.778 -5.828 -14.402 1.00 44.04 C ATOM 764 O GLN A 49 17.156 -4.718 -14.780 1.00 25.12 O ATOM 765 CB GLN A 49 18.245 -7.262 -15.835 1.00 12.32 C ATOM 766 CG GLN A 49 18.442 -8.608 -16.514 1.00 2.55 C ATOM 767 CD GLN A 49 17.746 -8.691 -17.857 1.00 74.23 C ATOM 768 OE1 GLN A 49 16.781 -9.438 -18.024 1.00 13.21 O ATOM 769 NE2 GLN A 49 18.232 -7.923 -18.825 1.00 72.24 N ATOM 0 H GLN A 49 16.382 -6.553 -17.339 1.00 72.33 H new ATOM 0 HA GLN A 49 16.479 -7.908 -14.794 1.00 43.10 H new ATOM 0 HB2 GLN A 49 18.515 -6.469 -16.533 1.00 12.32 H new ATOM 0 HB3 GLN A 49 18.928 -7.188 -14.989 1.00 12.32 H new ATOM 0 HG2 GLN A 49 19.508 -8.790 -16.650 1.00 2.55 H new ATOM 0 HG3 GLN A 49 18.064 -9.397 -15.864 1.00 2.55 H new ATOM 0 HE21 GLN A 49 19.033 -7.319 -18.643 1.00 72.24 H new ATOM 0 HE22 GLN A 49 17.804 -7.937 -19.751 1.00 72.24 H new ATOM 778 N LEU A 50 16.320 -6.057 -13.177 1.00 25.43 N ATOM 779 CA LEU A 50 16.234 -4.995 -12.181 1.00 54.30 C ATOM 780 C LEU A 50 17.415 -5.053 -11.218 1.00 44.43 C ATOM 781 O LEU A 50 17.664 -6.080 -10.588 1.00 43.30 O ATOM 782 CB LEU A 50 14.921 -5.104 -11.403 1.00 23.13 C ATOM 783 CG LEU A 50 13.682 -5.462 -12.224 1.00 30.34 C ATOM 784 CD1 LEU A 50 12.488 -5.699 -11.312 1.00 51.00 C ATOM 785 CD2 LEU A 50 13.376 -4.366 -13.233 1.00 54.41 C ATOM 0 H LEU A 50 16.002 -6.969 -12.849 1.00 25.43 H new ATOM 0 HA LEU A 50 16.262 -4.039 -12.703 1.00 54.30 H new ATOM 0 HB2 LEU A 50 15.045 -5.856 -10.623 1.00 23.13 H new ATOM 0 HB3 LEU A 50 14.738 -4.153 -10.903 1.00 23.13 H new ATOM 0 HG LEU A 50 13.885 -6.384 -12.770 1.00 30.34 H new ATOM 0 HD11 LEU A 50 11.615 -5.953 -11.914 1.00 51.00 H new ATOM 0 HD12 LEU A 50 12.709 -6.519 -10.629 1.00 51.00 H new ATOM 0 HD13 LEU A 50 12.283 -4.795 -10.739 1.00 51.00 H new ATOM 0 HD21 LEU A 50 12.491 -4.638 -13.808 1.00 54.41 H new ATOM 0 HD22 LEU A 50 13.193 -3.429 -12.708 1.00 54.41 H new ATOM 0 HD23 LEU A 50 14.224 -4.245 -13.907 1.00 54.41 H new ATOM 797 N GLU A 51 18.138 -3.942 -11.109 1.00 63.33 N ATOM 798 CA GLU A 51 19.293 -3.867 -10.222 1.00 31.51 C ATOM 799 C GLU A 51 18.962 -3.068 -8.965 1.00 42.30 C ATOM 800 O GLU A 51 17.872 -2.509 -8.841 1.00 44.40 O ATOM 801 CB GLU A 51 20.481 -3.231 -10.947 1.00 32.23 C ATOM 802 CG GLU A 51 20.784 -3.867 -12.293 1.00 11.00 C ATOM 803 CD GLU A 51 20.912 -5.376 -12.210 1.00 53.31 C ATOM 804 OE1 GLU A 51 22.052 -5.867 -12.076 1.00 20.31 O ATOM 805 OE2 GLU A 51 19.873 -6.064 -12.280 1.00 34.44 O ATOM 0 H GLU A 51 17.944 -3.083 -11.623 1.00 63.33 H new ATOM 0 HA GLU A 51 19.559 -4.882 -9.927 1.00 31.51 H new ATOM 0 HB2 GLU A 51 20.281 -2.170 -11.093 1.00 32.23 H new ATOM 0 HB3 GLU A 51 21.364 -3.304 -10.313 1.00 32.23 H new ATOM 0 HG2 GLU A 51 19.993 -3.612 -12.998 1.00 11.00 H new ATOM 0 HG3 GLU A 51 21.710 -3.449 -12.688 1.00 11.00 H new ATOM 812 N ASP A 52 19.910 -3.019 -8.036 1.00 2.23 N ATOM 813 CA ASP A 52 19.721 -2.288 -6.788 1.00 50.42 C ATOM 814 C ASP A 52 19.473 -0.807 -7.058 1.00 42.15 C ATOM 815 O ASP A 52 18.950 -0.089 -6.206 1.00 70.22 O ATOM 816 CB ASP A 52 20.942 -2.456 -5.883 1.00 63.31 C ATOM 817 CG ASP A 52 22.246 -2.217 -6.619 1.00 71.53 C ATOM 818 OD1 ASP A 52 23.145 -3.080 -6.530 1.00 11.01 O ATOM 819 OD2 ASP A 52 22.367 -1.168 -7.286 1.00 32.54 O ATOM 0 H ASP A 52 20.817 -3.477 -8.123 1.00 2.23 H new ATOM 0 HA ASP A 52 18.846 -2.699 -6.284 1.00 50.42 H new ATOM 0 HB2 ASP A 52 20.868 -1.762 -5.046 1.00 63.31 H new ATOM 0 HB3 ASP A 52 20.944 -3.462 -5.464 1.00 63.31 H new ATOM 824 N SER A 53 19.854 -0.356 -8.250 1.00 33.14 N ATOM 825 CA SER A 53 19.677 1.040 -8.630 1.00 44.45 C ATOM 826 C SER A 53 18.279 1.278 -9.193 1.00 63.43 C ATOM 827 O SER A 53 17.914 2.405 -9.525 1.00 54.42 O ATOM 828 CB SER A 53 20.731 1.446 -9.663 1.00 52.30 C ATOM 829 OG SER A 53 20.598 2.812 -10.018 1.00 35.31 O ATOM 0 H SER A 53 20.287 -0.937 -8.968 1.00 33.14 H new ATOM 0 HA SER A 53 19.798 1.652 -7.736 1.00 44.45 H new ATOM 0 HB2 SER A 53 21.728 1.267 -9.260 1.00 52.30 H new ATOM 0 HB3 SER A 53 20.631 0.824 -10.553 1.00 52.30 H new ATOM 0 HG SER A 53 19.656 3.075 -9.958 1.00 35.31 H new ATOM 835 N LYS A 54 17.501 0.206 -9.298 1.00 70.12 N ATOM 836 CA LYS A 54 16.142 0.295 -9.819 1.00 61.43 C ATOM 837 C LYS A 54 15.118 0.121 -8.702 1.00 4.12 C ATOM 838 O LYS A 54 15.433 -0.403 -7.633 1.00 1.24 O ATOM 839 CB LYS A 54 15.918 -0.766 -10.900 1.00 0.23 C ATOM 840 CG LYS A 54 17.006 -0.795 -11.959 1.00 5.33 C ATOM 841 CD LYS A 54 16.927 0.416 -12.873 1.00 51.13 C ATOM 842 CE LYS A 54 17.701 1.596 -12.305 1.00 63.53 C ATOM 843 NZ LYS A 54 18.288 2.443 -13.380 1.00 14.41 N ATOM 0 H LYS A 54 17.789 -0.735 -9.029 1.00 70.12 H new ATOM 0 HA LYS A 54 16.012 1.285 -10.256 1.00 61.43 H new ATOM 0 HB2 LYS A 54 15.856 -1.746 -10.428 1.00 0.23 H new ATOM 0 HB3 LYS A 54 14.958 -0.584 -11.383 1.00 0.23 H new ATOM 0 HG2 LYS A 54 17.983 -0.825 -11.477 1.00 5.33 H new ATOM 0 HG3 LYS A 54 16.914 -1.706 -12.551 1.00 5.33 H new ATOM 0 HD2 LYS A 54 17.324 0.158 -13.855 1.00 51.13 H new ATOM 0 HD3 LYS A 54 15.884 0.698 -13.015 1.00 51.13 H new ATOM 0 HE2 LYS A 54 17.038 2.201 -11.687 1.00 63.53 H new ATOM 0 HE3 LYS A 54 18.496 1.230 -11.656 1.00 63.53 H new ATOM 0 HZ1 LYS A 54 18.807 3.236 -12.952 1.00 14.41 H new ATOM 0 HZ2 LYS A 54 18.940 1.872 -13.955 1.00 14.41 H new ATOM 0 HZ3 LYS A 54 17.527 2.813 -13.985 1.00 14.41 H new ATOM 857 N THR A 55 13.891 0.563 -8.956 1.00 54.11 N ATOM 858 CA THR A 55 12.821 0.456 -7.972 1.00 52.42 C ATOM 859 C THR A 55 11.488 0.141 -8.641 1.00 70.31 C ATOM 860 O THR A 55 11.307 0.389 -9.833 1.00 20.41 O ATOM 861 CB THR A 55 12.677 1.754 -7.155 1.00 45.42 C ATOM 862 OG1 THR A 55 11.932 2.723 -7.901 1.00 70.02 O ATOM 863 CG2 THR A 55 14.043 2.323 -6.798 1.00 73.24 C ATOM 0 H THR A 55 13.613 0.999 -9.835 1.00 54.11 H new ATOM 0 HA THR A 55 13.090 -0.360 -7.301 1.00 52.42 H new ATOM 0 HB THR A 55 12.146 1.519 -6.233 1.00 45.42 H new ATOM 0 HG1 THR A 55 11.844 3.544 -7.374 1.00 70.02 H new ATOM 0 HG21 THR A 55 13.916 3.239 -6.221 1.00 73.24 H new ATOM 0 HG22 THR A 55 14.597 1.595 -6.205 1.00 73.24 H new ATOM 0 HG23 THR A 55 14.596 2.543 -7.711 1.00 73.24 H new ATOM 871 N MET A 56 10.557 -0.407 -7.866 1.00 64.14 N ATOM 872 CA MET A 56 9.240 -0.755 -8.385 1.00 15.21 C ATOM 873 C MET A 56 8.538 0.474 -8.955 1.00 61.00 C ATOM 874 O MET A 56 7.859 0.394 -9.978 1.00 61.42 O ATOM 875 CB MET A 56 8.383 -1.380 -7.282 1.00 53.14 C ATOM 876 CG MET A 56 9.059 -2.541 -6.572 1.00 3.35 C ATOM 877 SD MET A 56 9.547 -3.858 -7.702 1.00 32.32 S ATOM 878 CE MET A 56 10.770 -4.716 -6.714 1.00 44.02 C ATOM 0 H MET A 56 10.691 -0.619 -6.877 1.00 64.14 H new ATOM 0 HA MET A 56 9.373 -1.480 -9.188 1.00 15.21 H new ATOM 0 HB2 MET A 56 8.132 -0.613 -6.549 1.00 53.14 H new ATOM 0 HB3 MET A 56 7.444 -1.726 -7.715 1.00 53.14 H new ATOM 0 HG2 MET A 56 9.940 -2.176 -6.044 1.00 3.35 H new ATOM 0 HG3 MET A 56 8.382 -2.946 -5.820 1.00 3.35 H new ATOM 0 HE1 MET A 56 11.050 -5.646 -7.208 1.00 44.02 H new ATOM 0 HE2 MET A 56 11.652 -4.086 -6.600 1.00 44.02 H new ATOM 0 HE3 MET A 56 10.353 -4.938 -5.732 1.00 44.02 H new ATOM 888 N ALA A 57 8.707 1.610 -8.286 1.00 32.20 N ATOM 889 CA ALA A 57 8.091 2.855 -8.727 1.00 42.14 C ATOM 890 C ALA A 57 8.807 3.418 -9.951 1.00 21.14 C ATOM 891 O ALA A 57 8.200 4.096 -10.780 1.00 32.32 O ATOM 892 CB ALA A 57 8.092 3.874 -7.597 1.00 45.05 C ATOM 0 H ALA A 57 9.265 1.693 -7.437 1.00 32.20 H new ATOM 0 HA ALA A 57 7.060 2.642 -9.008 1.00 42.14 H new ATOM 0 HB1 ALA A 57 7.629 4.799 -7.941 1.00 45.05 H new ATOM 0 HB2 ALA A 57 7.530 3.479 -6.751 1.00 45.05 H new ATOM 0 HB3 ALA A 57 9.118 4.075 -7.289 1.00 45.05 H new ATOM 898 N ASP A 58 10.100 3.134 -10.056 1.00 64.52 N ATOM 899 CA ASP A 58 10.899 3.611 -11.179 1.00 2.32 C ATOM 900 C ASP A 58 10.394 3.025 -12.494 1.00 23.15 C ATOM 901 O ASP A 58 10.346 3.712 -13.514 1.00 3.52 O ATOM 902 CB ASP A 58 12.371 3.248 -10.976 1.00 41.51 C ATOM 903 CG ASP A 58 13.169 3.325 -12.263 1.00 72.10 C ATOM 904 OD1 ASP A 58 13.487 2.258 -12.828 1.00 64.43 O ATOM 905 OD2 ASP A 58 13.474 4.452 -12.705 1.00 73.15 O ATOM 0 H ASP A 58 10.618 2.576 -9.377 1.00 64.52 H new ATOM 0 HA ASP A 58 10.804 4.696 -11.226 1.00 2.32 H new ATOM 0 HB2 ASP A 58 12.810 3.921 -10.239 1.00 41.51 H new ATOM 0 HB3 ASP A 58 12.441 2.239 -10.568 1.00 41.51 H new ATOM 910 N TYR A 59 10.020 1.751 -12.462 1.00 20.22 N ATOM 911 CA TYR A 59 9.522 1.071 -13.652 1.00 22.34 C ATOM 912 C TYR A 59 8.006 1.198 -13.757 1.00 55.14 C ATOM 913 O TYR A 59 7.368 0.514 -14.557 1.00 24.31 O ATOM 914 CB TYR A 59 9.920 -0.406 -13.625 1.00 5.12 C ATOM 915 CG TYR A 59 11.302 -0.671 -14.180 1.00 55.34 C ATOM 916 CD1 TYR A 59 12.378 -0.910 -13.335 1.00 12.24 C ATOM 917 CD2 TYR A 59 11.531 -0.681 -15.551 1.00 15.13 C ATOM 918 CE1 TYR A 59 13.642 -1.152 -13.838 1.00 14.44 C ATOM 919 CE2 TYR A 59 12.790 -0.923 -16.063 1.00 25.24 C ATOM 920 CZ TYR A 59 13.843 -1.158 -15.202 1.00 53.22 C ATOM 921 OH TYR A 59 15.100 -1.398 -15.708 1.00 74.11 O ATOM 0 H TYR A 59 10.052 1.168 -11.625 1.00 20.22 H new ATOM 0 HA TYR A 59 9.970 1.546 -14.525 1.00 22.34 H new ATOM 0 HB2 TYR A 59 9.875 -0.767 -12.598 1.00 5.12 H new ATOM 0 HB3 TYR A 59 9.191 -0.981 -14.197 1.00 5.12 H new ATOM 0 HD1 TYR A 59 12.224 -0.907 -12.266 1.00 12.24 H new ATOM 0 HD2 TYR A 59 10.710 -0.496 -16.227 1.00 15.13 H new ATOM 0 HE1 TYR A 59 14.468 -1.335 -13.167 1.00 14.44 H new ATOM 0 HE2 TYR A 59 12.950 -0.928 -17.131 1.00 25.24 H new ATOM 0 HH TYR A 59 15.070 -1.368 -16.687 1.00 74.11 H new ATOM 931 N ASN A 60 7.434 2.081 -12.944 1.00 63.43 N ATOM 932 CA ASN A 60 5.992 2.299 -12.945 1.00 44.34 C ATOM 933 C ASN A 60 5.244 0.996 -12.682 1.00 23.11 C ATOM 934 O ASN A 60 4.108 0.821 -13.123 1.00 63.55 O ATOM 935 CB ASN A 60 5.547 2.895 -14.282 1.00 71.25 C ATOM 936 CG ASN A 60 4.184 3.555 -14.196 1.00 63.21 C ATOM 937 OD1 ASN A 60 3.176 2.979 -14.606 1.00 43.23 O ATOM 938 ND2 ASN A 60 4.148 4.770 -13.661 1.00 23.54 N ATOM 0 H ASN A 60 7.947 2.657 -12.276 1.00 63.43 H new ATOM 0 HA ASN A 60 5.755 3.000 -12.145 1.00 44.34 H new ATOM 0 HB2 ASN A 60 6.283 3.628 -14.613 1.00 71.25 H new ATOM 0 HB3 ASN A 60 5.520 2.109 -15.036 1.00 71.25 H new ATOM 0 HD21 ASN A 60 3.260 5.264 -13.577 1.00 23.54 H new ATOM 0 HD22 ASN A 60 5.009 5.209 -13.334 1.00 23.54 H new ATOM 945 N ILE A 61 5.889 0.086 -11.960 1.00 31.23 N ATOM 946 CA ILE A 61 5.284 -1.200 -11.636 1.00 61.31 C ATOM 947 C ILE A 61 4.919 -1.280 -10.158 1.00 1.43 C ATOM 948 O ILE A 61 5.794 -1.295 -9.293 1.00 3.12 O ATOM 949 CB ILE A 61 6.225 -2.369 -11.984 1.00 43.54 C ATOM 950 CG1 ILE A 61 7.650 -2.060 -11.521 1.00 3.25 C ATOM 951 CG2 ILE A 61 6.197 -2.643 -13.480 1.00 63.35 C ATOM 952 CD1 ILE A 61 8.622 -3.194 -11.759 1.00 44.20 C ATOM 0 H ILE A 61 6.830 0.215 -11.588 1.00 31.23 H new ATOM 0 HA ILE A 61 4.378 -1.282 -12.237 1.00 61.31 H new ATOM 0 HB ILE A 61 5.879 -3.262 -11.464 1.00 43.54 H new ATOM 0 HG12 ILE A 61 8.007 -1.171 -12.041 1.00 3.25 H new ATOM 0 HG13 ILE A 61 7.634 -1.823 -10.457 1.00 3.25 H new ATOM 0 HG21 ILE A 61 6.867 -3.471 -13.711 1.00 63.35 H new ATOM 0 HG22 ILE A 61 5.182 -2.901 -13.784 1.00 63.35 H new ATOM 0 HG23 ILE A 61 6.522 -1.753 -14.019 1.00 63.35 H new ATOM 0 HD11 ILE A 61 9.612 -2.905 -11.407 1.00 44.20 H new ATOM 0 HD12 ILE A 61 8.288 -4.079 -11.217 1.00 44.20 H new ATOM 0 HD13 ILE A 61 8.667 -3.417 -12.825 1.00 44.20 H new ATOM 964 N GLN A 62 3.621 -1.332 -9.876 1.00 41.32 N ATOM 965 CA GLN A 62 3.141 -1.411 -8.502 1.00 14.11 C ATOM 966 C GLN A 62 1.720 -1.962 -8.453 1.00 35.40 C ATOM 967 O GLN A 62 1.145 -2.320 -9.482 1.00 11.14 O ATOM 968 CB GLN A 62 3.188 -0.031 -7.842 1.00 71.54 C ATOM 969 CG GLN A 62 4.534 0.298 -7.216 1.00 75.34 C ATOM 970 CD GLN A 62 4.423 1.311 -6.094 1.00 72.30 C ATOM 971 OE1 GLN A 62 3.450 1.314 -5.339 1.00 24.35 O ATOM 972 NE2 GLN A 62 5.421 2.178 -5.979 1.00 4.34 N ATOM 0 H GLN A 62 2.884 -1.321 -10.581 1.00 41.32 H new ATOM 0 HA GLN A 62 3.794 -2.090 -7.954 1.00 14.11 H new ATOM 0 HB2 GLN A 62 2.948 0.727 -8.587 1.00 71.54 H new ATOM 0 HB3 GLN A 62 2.417 0.022 -7.074 1.00 71.54 H new ATOM 0 HG2 GLN A 62 4.985 -0.617 -6.831 1.00 75.34 H new ATOM 0 HG3 GLN A 62 5.203 0.685 -7.985 1.00 75.34 H new ATOM 0 HE21 GLN A 62 6.208 2.139 -6.627 1.00 4.34 H new ATOM 0 HE22 GLN A 62 5.401 2.884 -5.243 1.00 4.34 H new ATOM 981 N LYS A 63 1.157 -2.029 -7.251 1.00 23.40 N ATOM 982 CA LYS A 63 -0.197 -2.537 -7.067 1.00 13.44 C ATOM 983 C LYS A 63 -0.300 -3.991 -7.516 1.00 3.41 C ATOM 984 O LYS A 63 -0.761 -4.277 -8.620 1.00 13.11 O ATOM 985 CB LYS A 63 -1.196 -1.679 -7.847 1.00 43.14 C ATOM 986 CG LYS A 63 -1.139 -0.203 -7.491 1.00 71.52 C ATOM 987 CD LYS A 63 -1.434 0.673 -8.697 1.00 21.01 C ATOM 988 CE LYS A 63 -0.819 2.056 -8.544 1.00 74.13 C ATOM 989 NZ LYS A 63 0.608 2.078 -8.968 1.00 50.43 N ATOM 0 H LYS A 63 1.618 -1.737 -6.389 1.00 23.40 H new ATOM 0 HA LYS A 63 -0.435 -2.486 -6.005 1.00 13.44 H new ATOM 0 HB2 LYS A 63 -1.006 -1.794 -8.914 1.00 43.14 H new ATOM 0 HB3 LYS A 63 -2.204 -2.050 -7.661 1.00 43.14 H new ATOM 0 HG2 LYS A 63 -1.859 0.010 -6.701 1.00 71.52 H new ATOM 0 HG3 LYS A 63 -0.152 0.039 -7.097 1.00 71.52 H new ATOM 0 HD2 LYS A 63 -1.045 0.198 -9.597 1.00 21.01 H new ATOM 0 HD3 LYS A 63 -2.512 0.765 -8.826 1.00 21.01 H new ATOM 0 HE2 LYS A 63 -1.385 2.773 -9.138 1.00 74.13 H new ATOM 0 HE3 LYS A 63 -0.894 2.374 -7.504 1.00 74.13 H new ATOM 0 HZ1 LYS A 63 1.197 2.432 -8.187 1.00 50.43 H new ATOM 0 HZ2 LYS A 63 0.910 1.115 -9.221 1.00 50.43 H new ATOM 0 HZ3 LYS A 63 0.716 2.702 -9.793 1.00 50.43 H new ATOM 1003 N GLU A 64 0.132 -4.904 -6.652 1.00 64.11 N ATOM 1004 CA GLU A 64 0.088 -6.328 -6.961 1.00 71.45 C ATOM 1005 C GLU A 64 0.972 -6.652 -8.163 1.00 35.12 C ATOM 1006 O GLU A 64 0.818 -7.697 -8.796 1.00 5.50 O ATOM 1007 CB GLU A 64 -1.351 -6.768 -7.240 1.00 11.22 C ATOM 1008 CG GLU A 64 -2.369 -6.153 -6.294 1.00 21.44 C ATOM 1009 CD GLU A 64 -2.241 -6.679 -4.877 1.00 64.52 C ATOM 1010 OE1 GLU A 64 -1.339 -6.212 -4.151 1.00 4.32 O ATOM 1011 OE2 GLU A 64 -3.041 -7.558 -4.495 1.00 71.33 O ATOM 0 H GLU A 64 0.516 -4.683 -5.733 1.00 64.11 H new ATOM 0 HA GLU A 64 0.466 -6.873 -6.096 1.00 71.45 H new ATOM 0 HB2 GLU A 64 -1.612 -6.501 -8.264 1.00 11.22 H new ATOM 0 HB3 GLU A 64 -1.410 -7.854 -7.168 1.00 11.22 H new ATOM 0 HG2 GLU A 64 -2.246 -5.070 -6.288 1.00 21.44 H new ATOM 0 HG3 GLU A 64 -3.374 -6.358 -6.664 1.00 21.44 H new ATOM 1018 N SER A 65 1.896 -5.748 -8.471 1.00 11.13 N ATOM 1019 CA SER A 65 2.802 -5.934 -9.598 1.00 74.13 C ATOM 1020 C SER A 65 3.429 -7.324 -9.567 1.00 63.42 C ATOM 1021 O SER A 65 3.938 -7.767 -8.536 1.00 51.44 O ATOM 1022 CB SER A 65 3.898 -4.867 -9.581 1.00 54.11 C ATOM 1023 OG SER A 65 3.771 -3.988 -10.685 1.00 51.23 O ATOM 0 H SER A 65 2.037 -4.879 -7.956 1.00 11.13 H new ATOM 0 HA SER A 65 2.224 -5.835 -10.517 1.00 74.13 H new ATOM 0 HB2 SER A 65 3.843 -4.299 -8.652 1.00 54.11 H new ATOM 0 HB3 SER A 65 4.877 -5.346 -9.604 1.00 54.11 H new ATOM 0 HG SER A 65 4.002 -4.464 -11.510 1.00 51.23 H new ATOM 1029 N THR A 66 3.390 -8.010 -10.705 1.00 73.43 N ATOM 1030 CA THR A 66 3.953 -9.351 -10.810 1.00 14.42 C ATOM 1031 C THR A 66 5.447 -9.298 -11.105 1.00 3.34 C ATOM 1032 O THR A 66 5.895 -8.534 -11.961 1.00 1.11 O ATOM 1033 CB THR A 66 3.253 -10.170 -11.911 1.00 15.34 C ATOM 1034 OG1 THR A 66 3.788 -11.497 -11.949 1.00 34.45 O ATOM 1035 CG2 THR A 66 3.426 -9.509 -13.270 1.00 14.32 C ATOM 0 H THR A 66 2.974 -7.659 -11.568 1.00 73.43 H new ATOM 0 HA THR A 66 3.792 -9.837 -9.848 1.00 14.42 H new ATOM 0 HB THR A 66 2.189 -10.214 -11.679 1.00 15.34 H new ATOM 0 HG1 THR A 66 3.337 -12.012 -12.650 1.00 34.45 H new ATOM 0 HG21 THR A 66 2.923 -10.105 -14.031 1.00 14.32 H new ATOM 0 HG22 THR A 66 2.991 -8.510 -13.246 1.00 14.32 H new ATOM 0 HG23 THR A 66 4.487 -9.438 -13.507 1.00 14.32 H new ATOM 1043 N LEU A 67 6.215 -10.114 -10.391 1.00 43.31 N ATOM 1044 CA LEU A 67 7.661 -10.161 -10.577 1.00 5.40 C ATOM 1045 C LEU A 67 8.133 -11.591 -10.819 1.00 43.31 C ATOM 1046 O LEU A 67 7.405 -12.549 -10.558 1.00 54.45 O ATOM 1047 CB LEU A 67 8.372 -9.577 -9.354 1.00 72.22 C ATOM 1048 CG LEU A 67 9.865 -9.294 -9.518 1.00 4.45 C ATOM 1049 CD1 LEU A 67 10.113 -8.423 -10.740 1.00 11.25 C ATOM 1050 CD2 LEU A 67 10.422 -8.630 -8.266 1.00 63.42 C ATOM 0 H LEU A 67 5.861 -10.752 -9.678 1.00 43.31 H new ATOM 0 HA LEU A 67 7.909 -9.563 -11.454 1.00 5.40 H new ATOM 0 HB2 LEU A 67 7.874 -8.647 -9.079 1.00 72.22 H new ATOM 0 HB3 LEU A 67 8.243 -10.267 -8.520 1.00 72.22 H new ATOM 0 HG LEU A 67 10.381 -10.243 -9.663 1.00 4.45 H new ATOM 0 HD11 LEU A 67 11.182 -8.232 -10.840 1.00 11.25 H new ATOM 0 HD12 LEU A 67 9.751 -8.935 -11.631 1.00 11.25 H new ATOM 0 HD13 LEU A 67 9.585 -7.476 -10.625 1.00 11.25 H new ATOM 0 HD21 LEU A 67 11.486 -8.436 -8.400 1.00 63.42 H new ATOM 0 HD22 LEU A 67 9.901 -7.689 -8.090 1.00 63.42 H new ATOM 0 HD23 LEU A 67 10.279 -9.289 -7.410 1.00 63.42 H new ATOM 1062 N HIS A 68 9.358 -11.728 -11.317 1.00 70.15 N ATOM 1063 CA HIS A 68 9.929 -13.042 -11.592 1.00 53.01 C ATOM 1064 C HIS A 68 11.308 -13.179 -10.954 1.00 72.41 C ATOM 1065 O HIS A 68 12.265 -12.531 -11.376 1.00 72.14 O ATOM 1066 CB HIS A 68 10.026 -13.274 -13.100 1.00 43.13 C ATOM 1067 CG HIS A 68 8.751 -12.993 -13.833 1.00 73.02 C ATOM 1068 ND1 HIS A 68 7.962 -13.984 -14.378 1.00 33.12 N ATOM 1069 CD2 HIS A 68 8.127 -11.824 -14.109 1.00 11.34 C ATOM 1070 CE1 HIS A 68 6.909 -13.437 -14.958 1.00 52.41 C ATOM 1071 NE2 HIS A 68 6.985 -12.126 -14.809 1.00 31.55 N ATOM 0 H HIS A 68 9.974 -10.946 -11.538 1.00 70.15 H new ATOM 0 HA HIS A 68 9.271 -13.795 -11.158 1.00 53.01 H new ATOM 0 HB2 HIS A 68 10.816 -12.642 -13.506 1.00 43.13 H new ATOM 0 HB3 HIS A 68 10.320 -14.308 -13.282 1.00 43.13 H new ATOM 0 HD2 HIS A 68 8.465 -10.837 -13.830 1.00 11.34 H new ATOM 0 HE1 HIS A 68 6.120 -13.970 -15.467 1.00 52.41 H new ATOM 0 HE2 HIS A 68 6.306 -11.449 -15.157 1.00 31.55 H new ATOM 1079 N MET A 69 11.401 -14.027 -9.935 1.00 0.03 N ATOM 1080 CA MET A 69 12.663 -14.249 -9.239 1.00 63.21 C ATOM 1081 C MET A 69 13.192 -15.655 -9.508 1.00 1.53 C ATOM 1082 O MET A 69 12.419 -16.601 -9.661 1.00 42.51 O ATOM 1083 CB MET A 69 12.485 -14.038 -7.734 1.00 42.44 C ATOM 1084 CG MET A 69 11.857 -15.225 -7.024 1.00 34.30 C ATOM 1085 SD MET A 69 13.046 -16.152 -6.035 1.00 72.21 S ATOM 1086 CE MET A 69 13.624 -14.877 -4.918 1.00 31.11 C ATOM 0 H MET A 69 10.618 -14.571 -9.573 1.00 0.03 H new ATOM 0 HA MET A 69 13.388 -13.528 -9.616 1.00 63.21 H new ATOM 0 HB2 MET A 69 13.457 -13.831 -7.287 1.00 42.44 H new ATOM 0 HB3 MET A 69 11.864 -13.157 -7.570 1.00 42.44 H new ATOM 0 HG2 MET A 69 11.051 -14.873 -6.380 1.00 34.30 H new ATOM 0 HG3 MET A 69 11.408 -15.889 -7.763 1.00 34.30 H new ATOM 0 HE1 MET A 69 14.199 -15.333 -4.112 1.00 31.11 H new ATOM 0 HE2 MET A 69 14.256 -14.175 -5.463 1.00 31.11 H new ATOM 0 HE3 MET A 69 12.769 -14.346 -4.499 1.00 31.11 H new ATOM 1096 N VAL A 70 14.514 -15.784 -9.564 1.00 32.22 N ATOM 1097 CA VAL A 70 15.146 -17.074 -9.813 1.00 74.42 C ATOM 1098 C VAL A 70 16.345 -17.285 -8.896 1.00 31.40 C ATOM 1099 O VAL A 70 17.160 -16.382 -8.704 1.00 64.42 O ATOM 1100 CB VAL A 70 15.605 -17.201 -11.278 1.00 12.41 C ATOM 1101 CG1 VAL A 70 14.408 -17.188 -12.216 1.00 54.41 C ATOM 1102 CG2 VAL A 70 16.579 -16.086 -11.628 1.00 63.22 C ATOM 0 H VAL A 70 15.168 -15.011 -9.440 1.00 32.22 H new ATOM 0 HA VAL A 70 14.396 -17.838 -9.607 1.00 74.42 H new ATOM 0 HB VAL A 70 16.120 -18.154 -11.399 1.00 12.41 H new ATOM 0 HG11 VAL A 70 14.752 -17.279 -13.246 1.00 54.41 H new ATOM 0 HG12 VAL A 70 13.750 -18.024 -11.978 1.00 54.41 H new ATOM 0 HG13 VAL A 70 13.862 -16.252 -12.097 1.00 54.41 H new ATOM 0 HG21 VAL A 70 16.894 -16.190 -12.666 1.00 63.22 H new ATOM 0 HG22 VAL A 70 16.091 -15.121 -11.492 1.00 63.22 H new ATOM 0 HG23 VAL A 70 17.451 -16.147 -10.977 1.00 63.22 H new ATOM 1112 N LEU A 71 16.447 -18.484 -8.331 1.00 41.54 N ATOM 1113 CA LEU A 71 17.548 -18.815 -7.434 1.00 1.25 C ATOM 1114 C LEU A 71 18.333 -20.015 -7.954 1.00 12.21 C ATOM 1115 O LEU A 71 17.751 -21.010 -8.385 1.00 35.33 O ATOM 1116 CB LEU A 71 17.017 -19.108 -6.030 1.00 34.55 C ATOM 1117 CG LEU A 71 16.032 -20.273 -5.915 1.00 11.44 C ATOM 1118 CD1 LEU A 71 16.772 -21.574 -5.648 1.00 5.23 C ATOM 1119 CD2 LEU A 71 15.012 -20.002 -4.818 1.00 24.44 C ATOM 0 H LEU A 71 15.781 -19.242 -8.479 1.00 41.54 H new ATOM 0 HA LEU A 71 18.219 -17.957 -7.391 1.00 1.25 H new ATOM 0 HB2 LEU A 71 17.866 -19.310 -5.377 1.00 34.55 H new ATOM 0 HB3 LEU A 71 16.531 -18.209 -5.652 1.00 34.55 H new ATOM 0 HG LEU A 71 15.501 -20.370 -6.862 1.00 11.44 H new ATOM 0 HD11 LEU A 71 16.055 -22.391 -5.569 1.00 5.23 H new ATOM 0 HD12 LEU A 71 17.462 -21.775 -6.467 1.00 5.23 H new ATOM 0 HD13 LEU A 71 17.330 -21.490 -4.716 1.00 5.23 H new ATOM 0 HD21 LEU A 71 14.319 -20.841 -4.750 1.00 24.44 H new ATOM 0 HD22 LEU A 71 15.527 -19.878 -3.865 1.00 24.44 H new ATOM 0 HD23 LEU A 71 14.459 -19.093 -5.052 1.00 24.44 H new