USER MOD reduce.3.24.130724 H: found=0, std=0, add=621, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 618 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 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl -169:sc= 0 (180deg=-0.182) USER MOD Single : A 1 MET N :NH3+ -162:sc= -0.0268 (180deg=-0.373) USER MOD Single : A 2 GLN : amide:sc= -0.0638 X(o=-0.064,f=0) USER MOD Single : A 6 LYS NZ :NH3+ -163:sc= -0.0229 (180deg=-0.206) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.00921 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 165:sc= -0.0207 (180deg=-0.214) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= -0.0429 USER MOD Single : A 22 THR OG1 : rot -80:sc= -3.09! USER MOD Single : A 27 LYS NZ :NH3+ -137:sc= 0.0499 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=-0.066) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0553) USER MOD Single : A 40 GLN : amide:sc= -0.884 K(o=-0.88,f=-1.5) USER MOD Single : A 41 GLN : amide:sc= -3.08 K(o=-3.1,f=-4.5!) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.019) USER MOD Single : A 53 SER OG : rot 180:sc= 0.00121 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 MET CE :methyl -113:sc= -0.196 (180deg=-1.74!) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= -4.8! C(o=-4.8!,f=-7.1!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 56:sc= 0.673 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.297 X(o=-0.3,f=-0.0053) USER MOD Single : A 69 MET CE :methyl 140:sc= -2.36 (180deg=-3.21!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 5.447 0.267 -0.492 1.00 52.43 N ATOM 2 CA MET A 1 4.573 -0.277 -1.525 1.00 50.33 C ATOM 3 C MET A 1 4.826 -1.768 -1.721 1.00 72.30 C ATOM 4 O MET A 1 5.795 -2.162 -2.369 1.00 72.13 O ATOM 5 CB MET A 1 4.785 0.466 -2.846 1.00 30.01 C ATOM 6 CG MET A 1 4.486 1.954 -2.761 1.00 62.00 C ATOM 7 SD MET A 1 2.742 2.296 -2.457 1.00 62.00 S ATOM 8 CE MET A 1 2.041 1.933 -4.065 1.00 33.04 C ATOM 0 H1 MET A 1 5.067 1.176 -0.160 1.00 52.43 H new ATOM 0 H2 MET A 1 5.498 -0.399 0.305 1.00 52.43 H new ATOM 0 H3 MET A 1 6.399 0.412 -0.884 1.00 52.43 H new ATOM 0 HA MET A 1 3.541 -0.141 -1.201 1.00 50.33 H new ATOM 0 HB2 MET A 1 5.817 0.329 -3.169 1.00 30.01 H new ATOM 0 HB3 MET A 1 4.150 0.019 -3.611 1.00 30.01 H new ATOM 0 HG2 MET A 1 5.083 2.396 -1.963 1.00 62.00 H new ATOM 0 HG3 MET A 1 4.790 2.435 -3.691 1.00 62.00 H new ATOM 0 HE1 MET A 1 1.008 2.280 -4.098 1.00 33.04 H new ATOM 0 HE2 MET A 1 2.619 2.440 -4.837 1.00 33.04 H new ATOM 0 HE3 MET A 1 2.068 0.857 -4.239 1.00 33.04 H new ATOM 18 N GLN A 2 3.949 -2.592 -1.156 1.00 55.33 N ATOM 19 CA GLN A 2 4.079 -4.040 -1.269 1.00 13.32 C ATOM 20 C GLN A 2 3.543 -4.532 -2.609 1.00 45.24 C ATOM 21 O GLN A 2 2.631 -3.934 -3.181 1.00 62.44 O ATOM 22 CB GLN A 2 3.335 -4.730 -0.125 1.00 35.24 C ATOM 23 CG GLN A 2 1.823 -4.722 -0.289 1.00 3.31 C ATOM 24 CD GLN A 2 1.096 -5.105 0.984 1.00 34.15 C ATOM 25 OE1 GLN A 2 0.149 -4.435 1.398 1.00 3.33 O ATOM 26 NE2 GLN A 2 1.534 -6.189 1.614 1.00 62.12 N ATOM 0 H GLN A 2 3.141 -2.282 -0.616 1.00 55.33 H new ATOM 0 HA GLN A 2 5.138 -4.290 -1.208 1.00 13.32 H new ATOM 0 HB2 GLN A 2 3.678 -5.762 -0.050 1.00 35.24 H new ATOM 0 HB3 GLN A 2 3.593 -4.239 0.813 1.00 35.24 H new ATOM 0 HG2 GLN A 2 1.501 -3.729 -0.602 1.00 3.31 H new ATOM 0 HG3 GLN A 2 1.544 -5.413 -1.084 1.00 3.31 H new ATOM 0 HE21 GLN A 2 2.322 -6.715 1.236 1.00 62.12 H new ATOM 0 HE22 GLN A 2 1.082 -6.496 2.476 1.00 62.12 H new ATOM 35 N ILE A 3 4.117 -5.623 -3.105 1.00 33.30 N ATOM 36 CA ILE A 3 3.696 -6.195 -4.378 1.00 23.50 C ATOM 37 C ILE A 3 3.724 -7.719 -4.332 1.00 23.43 C ATOM 38 O ILE A 3 4.242 -8.313 -3.385 1.00 70.14 O ATOM 39 CB ILE A 3 4.590 -5.712 -5.535 1.00 40.32 C ATOM 40 CG1 ILE A 3 5.886 -6.523 -5.581 1.00 62.41 C ATOM 41 CG2 ILE A 3 4.893 -4.228 -5.386 1.00 73.21 C ATOM 42 CD1 ILE A 3 6.673 -6.479 -4.290 1.00 43.32 C ATOM 0 H ILE A 3 4.874 -6.128 -2.645 1.00 33.30 H new ATOM 0 HA ILE A 3 2.674 -5.857 -4.553 1.00 23.50 H new ATOM 0 HB ILE A 3 4.056 -5.862 -6.473 1.00 40.32 H new ATOM 0 HG12 ILE A 3 5.648 -7.560 -5.817 1.00 62.41 H new ATOM 0 HG13 ILE A 3 6.511 -6.148 -6.391 1.00 62.41 H new ATOM 0 HG21 ILE A 3 5.526 -3.901 -6.211 1.00 73.21 H new ATOM 0 HG22 ILE A 3 3.961 -3.663 -5.398 1.00 73.21 H new ATOM 0 HG23 ILE A 3 5.410 -4.055 -4.442 1.00 73.21 H new ATOM 0 HD11 ILE A 3 7.579 -7.076 -4.396 1.00 43.32 H new ATOM 0 HD12 ILE A 3 6.942 -5.447 -4.063 1.00 43.32 H new ATOM 0 HD13 ILE A 3 6.066 -6.882 -3.480 1.00 43.32 H new ATOM 54 N PHE A 4 3.166 -8.348 -5.361 1.00 14.51 N ATOM 55 CA PHE A 4 3.127 -9.803 -5.439 1.00 20.23 C ATOM 56 C PHE A 4 4.316 -10.337 -6.233 1.00 34.12 C ATOM 57 O PHE A 4 4.683 -9.782 -7.269 1.00 2.24 O ATOM 58 CB PHE A 4 1.819 -10.266 -6.084 1.00 20.12 C ATOM 59 CG PHE A 4 0.685 -10.402 -5.108 1.00 60.43 C ATOM 60 CD1 PHE A 4 0.032 -11.614 -4.949 1.00 64.23 C ATOM 61 CD2 PHE A 4 0.271 -9.318 -4.351 1.00 24.41 C ATOM 62 CE1 PHE A 4 -1.011 -11.743 -4.052 1.00 73.23 C ATOM 63 CE2 PHE A 4 -0.771 -9.442 -3.452 1.00 53.51 C ATOM 64 CZ PHE A 4 -1.414 -10.655 -3.303 1.00 53.15 C ATOM 0 H PHE A 4 2.734 -7.872 -6.153 1.00 14.51 H new ATOM 0 HA PHE A 4 3.183 -10.198 -4.425 1.00 20.23 H new ATOM 0 HB2 PHE A 4 1.536 -9.557 -6.862 1.00 20.12 H new ATOM 0 HB3 PHE A 4 1.984 -11.226 -6.573 1.00 20.12 H new ATOM 0 HD1 PHE A 4 0.342 -12.468 -5.533 1.00 64.23 H new ATOM 0 HD2 PHE A 4 0.768 -8.366 -4.465 1.00 24.41 H new ATOM 0 HE1 PHE A 4 -1.511 -12.694 -3.937 1.00 73.23 H new ATOM 0 HE2 PHE A 4 -1.083 -8.590 -2.866 1.00 53.51 H new ATOM 0 HZ PHE A 4 -2.230 -10.753 -2.602 1.00 53.15 H new ATOM 74 N ILE A 5 4.912 -11.417 -5.739 1.00 40.02 N ATOM 75 CA ILE A 5 6.058 -12.026 -6.402 1.00 63.22 C ATOM 76 C ILE A 5 5.872 -13.532 -6.550 1.00 35.55 C ATOM 77 O ILE A 5 5.555 -14.228 -5.584 1.00 12.40 O ATOM 78 CB ILE A 5 7.364 -11.755 -5.632 1.00 30.02 C ATOM 79 CG1 ILE A 5 7.538 -10.254 -5.393 1.00 4.20 C ATOM 80 CG2 ILE A 5 8.555 -12.318 -6.393 1.00 51.32 C ATOM 81 CD1 ILE A 5 7.175 -9.819 -3.991 1.00 13.24 C ATOM 0 H ILE A 5 4.620 -11.888 -4.882 1.00 40.02 H new ATOM 0 HA ILE A 5 6.128 -11.572 -7.391 1.00 63.22 H new ATOM 0 HB ILE A 5 7.308 -12.254 -4.664 1.00 30.02 H new ATOM 0 HG12 ILE A 5 8.574 -9.980 -5.593 1.00 4.20 H new ATOM 0 HG13 ILE A 5 6.921 -9.707 -6.106 1.00 4.20 H new ATOM 0 HG21 ILE A 5 9.470 -12.118 -5.836 1.00 51.32 H new ATOM 0 HG22 ILE A 5 8.433 -13.394 -6.516 1.00 51.32 H new ATOM 0 HG23 ILE A 5 8.617 -11.846 -7.373 1.00 51.32 H new ATOM 0 HD11 ILE A 5 7.323 -8.743 -3.894 1.00 13.24 H new ATOM 0 HD12 ILE A 5 6.131 -10.061 -3.794 1.00 13.24 H new ATOM 0 HD13 ILE A 5 7.810 -10.339 -3.273 1.00 13.24 H new ATOM 93 N LYS A 6 6.072 -14.032 -7.764 1.00 54.24 N ATOM 94 CA LYS A 6 5.929 -15.457 -8.040 1.00 12.44 C ATOM 95 C LYS A 6 7.287 -16.099 -8.300 1.00 25.31 C ATOM 96 O LYS A 6 8.160 -15.500 -8.929 1.00 52.43 O ATOM 97 CB LYS A 6 5.010 -15.675 -9.244 1.00 44.22 C ATOM 98 CG LYS A 6 4.892 -17.130 -9.663 1.00 31.01 C ATOM 99 CD LYS A 6 3.835 -17.316 -10.738 1.00 71.54 C ATOM 100 CE LYS A 6 2.431 -17.191 -10.168 1.00 13.44 C ATOM 101 NZ LYS A 6 2.094 -18.328 -9.268 1.00 32.24 N ATOM 0 H LYS A 6 6.334 -13.471 -8.574 1.00 54.24 H new ATOM 0 HA LYS A 6 5.486 -15.929 -7.163 1.00 12.44 H new ATOM 0 HB2 LYS A 6 4.017 -15.292 -9.007 1.00 44.22 H new ATOM 0 HB3 LYS A 6 5.384 -15.092 -10.086 1.00 44.22 H new ATOM 0 HG2 LYS A 6 5.855 -17.482 -10.033 1.00 31.01 H new ATOM 0 HG3 LYS A 6 4.641 -17.740 -8.795 1.00 31.01 H new ATOM 0 HD2 LYS A 6 3.978 -16.573 -11.522 1.00 71.54 H new ATOM 0 HD3 LYS A 6 3.955 -18.295 -11.201 1.00 71.54 H new ATOM 0 HE2 LYS A 6 2.345 -16.254 -9.617 1.00 13.44 H new ATOM 0 HE3 LYS A 6 1.710 -17.148 -10.984 1.00 13.44 H new ATOM 0 HZ1 LYS A 6 1.064 -18.369 -9.131 1.00 32.24 H new ATOM 0 HZ2 LYS A 6 2.422 -19.218 -9.695 1.00 32.24 H new ATOM 0 HZ3 LYS A 6 2.561 -18.193 -8.348 1.00 32.24 H new ATOM 115 N THR A 7 7.461 -17.324 -7.813 1.00 31.13 N ATOM 116 CA THR A 7 8.713 -18.048 -7.993 1.00 32.11 C ATOM 117 C THR A 7 8.566 -19.150 -9.036 1.00 53.44 C ATOM 118 O THR A 7 7.541 -19.246 -9.713 1.00 15.54 O ATOM 119 CB THR A 7 9.197 -18.671 -6.670 1.00 72.30 C ATOM 120 OG1 THR A 7 8.398 -19.814 -6.346 1.00 35.25 O ATOM 121 CG2 THR A 7 9.126 -17.659 -5.537 1.00 41.41 C ATOM 0 H THR A 7 6.750 -17.835 -7.291 1.00 31.13 H new ATOM 0 HA THR A 7 9.451 -17.323 -8.336 1.00 32.11 H new ATOM 0 HB THR A 7 10.235 -18.978 -6.797 1.00 72.30 H new ATOM 0 HG1 THR A 7 8.713 -20.205 -5.505 1.00 35.25 H new ATOM 0 HG21 THR A 7 9.473 -18.122 -4.613 1.00 41.41 H new ATOM 0 HG22 THR A 7 9.758 -16.803 -5.773 1.00 41.41 H new ATOM 0 HG23 THR A 7 8.096 -17.325 -5.411 1.00 41.41 H new ATOM 129 N LEU A 8 9.595 -19.980 -9.163 1.00 1.34 N ATOM 130 CA LEU A 8 9.580 -21.077 -10.124 1.00 40.54 C ATOM 131 C LEU A 8 8.589 -22.157 -9.703 1.00 4.04 C ATOM 132 O LEU A 8 8.034 -22.868 -10.541 1.00 64.02 O ATOM 133 CB LEU A 8 10.980 -21.678 -10.264 1.00 35.14 C ATOM 134 CG LEU A 8 11.103 -22.881 -11.199 1.00 70.04 C ATOM 135 CD1 LEU A 8 11.321 -22.422 -12.633 1.00 31.12 C ATOM 136 CD2 LEU A 8 12.237 -23.792 -10.751 1.00 13.43 C ATOM 0 H LEU A 8 10.451 -19.914 -8.612 1.00 1.34 H new ATOM 0 HA LEU A 8 9.265 -20.678 -11.088 1.00 40.54 H new ATOM 0 HB2 LEU A 8 11.655 -20.898 -10.617 1.00 35.14 H new ATOM 0 HB3 LEU A 8 11.327 -21.975 -9.274 1.00 35.14 H new ATOM 0 HG LEU A 8 10.172 -23.446 -11.157 1.00 70.04 H new ATOM 0 HD11 LEU A 8 11.406 -23.292 -13.284 1.00 31.12 H new ATOM 0 HD12 LEU A 8 10.476 -21.811 -12.952 1.00 31.12 H new ATOM 0 HD13 LEU A 8 12.237 -21.834 -12.691 1.00 31.12 H new ATOM 0 HD21 LEU A 8 12.309 -24.643 -11.428 1.00 13.43 H new ATOM 0 HD22 LEU A 8 13.175 -23.238 -10.763 1.00 13.43 H new ATOM 0 HD23 LEU A 8 12.039 -24.149 -9.740 1.00 13.43 H new ATOM 148 N THR A 9 8.370 -22.274 -8.397 1.00 34.13 N ATOM 149 CA THR A 9 7.445 -23.266 -7.863 1.00 62.52 C ATOM 150 C THR A 9 6.010 -22.753 -7.893 1.00 21.20 C ATOM 151 O THR A 9 5.067 -23.505 -7.650 1.00 53.52 O ATOM 152 CB THR A 9 7.810 -23.654 -6.418 1.00 32.13 C ATOM 153 OG1 THR A 9 9.227 -23.819 -6.297 1.00 61.34 O ATOM 154 CG2 THR A 9 7.108 -24.940 -6.009 1.00 33.23 C ATOM 0 H THR A 9 8.821 -21.694 -7.689 1.00 34.13 H new ATOM 0 HA THR A 9 7.526 -24.147 -8.499 1.00 62.52 H new ATOM 0 HB THR A 9 7.481 -22.853 -5.757 1.00 32.13 H new ATOM 0 HG1 THR A 9 9.450 -24.064 -5.375 1.00 61.34 H new ATOM 0 HG21 THR A 9 7.381 -25.194 -4.985 1.00 33.23 H new ATOM 0 HG22 THR A 9 6.029 -24.802 -6.073 1.00 33.23 H new ATOM 0 HG23 THR A 9 7.410 -25.747 -6.676 1.00 33.23 H new ATOM 162 N GLY A 10 5.852 -21.468 -8.193 1.00 42.52 N ATOM 163 CA GLY A 10 4.528 -20.876 -8.250 1.00 22.22 C ATOM 164 C GLY A 10 4.072 -20.346 -6.905 1.00 31.21 C ATOM 165 O GLY A 10 2.874 -20.194 -6.662 1.00 64.25 O ATOM 0 H GLY A 10 6.617 -20.826 -8.398 1.00 42.52 H new ATOM 0 HA2 GLY A 10 4.528 -20.063 -8.976 1.00 22.22 H new ATOM 0 HA3 GLY A 10 3.815 -21.621 -8.604 1.00 22.22 H new ATOM 169 N LYS A 11 5.028 -20.065 -6.026 1.00 62.32 N ATOM 170 CA LYS A 11 4.720 -19.550 -4.698 1.00 13.33 C ATOM 171 C LYS A 11 4.582 -18.031 -4.722 1.00 40.20 C ATOM 172 O LYS A 11 5.369 -17.335 -5.365 1.00 24.42 O ATOM 173 CB LYS A 11 5.810 -19.958 -3.704 1.00 14.21 C ATOM 174 CG LYS A 11 5.299 -20.149 -2.286 1.00 64.02 C ATOM 175 CD LYS A 11 4.530 -21.452 -2.141 1.00 44.42 C ATOM 176 CE LYS A 11 3.885 -21.568 -0.769 1.00 24.33 C ATOM 177 NZ LYS A 11 2.803 -20.564 -0.577 1.00 53.14 N ATOM 0 H LYS A 11 6.024 -20.186 -6.210 1.00 62.32 H new ATOM 0 HA LYS A 11 3.769 -19.979 -4.381 1.00 13.33 H new ATOM 0 HB2 LYS A 11 6.271 -20.886 -4.043 1.00 14.21 H new ATOM 0 HB3 LYS A 11 6.590 -19.197 -3.701 1.00 14.21 H new ATOM 0 HG2 LYS A 11 6.139 -20.142 -1.592 1.00 64.02 H new ATOM 0 HG3 LYS A 11 4.654 -19.313 -2.015 1.00 64.02 H new ATOM 0 HD2 LYS A 11 3.761 -21.510 -2.912 1.00 44.42 H new ATOM 0 HD3 LYS A 11 5.204 -22.293 -2.300 1.00 44.42 H new ATOM 0 HE2 LYS A 11 3.476 -22.571 -0.644 1.00 24.33 H new ATOM 0 HE3 LYS A 11 4.644 -21.435 0.001 1.00 24.33 H new ATOM 0 HZ1 LYS A 11 2.225 -20.829 0.246 1.00 53.14 H new ATOM 0 HZ2 LYS A 11 3.224 -19.626 -0.417 1.00 53.14 H new ATOM 0 HZ3 LYS A 11 2.203 -20.534 -1.426 1.00 53.14 H new ATOM 191 N THR A 12 3.577 -17.521 -4.016 1.00 43.45 N ATOM 192 CA THR A 12 3.337 -16.084 -3.957 1.00 70.40 C ATOM 193 C THR A 12 4.048 -15.457 -2.764 1.00 2.23 C ATOM 194 O THR A 12 4.036 -16.007 -1.662 1.00 74.12 O ATOM 195 CB THR A 12 1.832 -15.770 -3.867 1.00 12.15 C ATOM 196 OG1 THR A 12 1.155 -16.280 -5.021 1.00 15.15 O ATOM 197 CG2 THR A 12 1.598 -14.271 -3.756 1.00 52.22 C ATOM 0 H THR A 12 2.917 -18.082 -3.477 1.00 43.45 H new ATOM 0 HA THR A 12 3.735 -15.658 -4.878 1.00 70.40 H new ATOM 0 HB THR A 12 1.436 -16.251 -2.973 1.00 12.15 H new ATOM 0 HG1 THR A 12 0.198 -16.078 -4.955 1.00 15.15 H new ATOM 0 HG21 THR A 12 0.528 -14.073 -3.694 1.00 52.22 H new ATOM 0 HG22 THR A 12 2.090 -13.891 -2.860 1.00 52.22 H new ATOM 0 HG23 THR A 12 2.008 -13.773 -4.634 1.00 52.22 H new ATOM 205 N ILE A 13 4.667 -14.303 -2.989 1.00 51.25 N ATOM 206 CA ILE A 13 5.382 -13.600 -1.931 1.00 71.24 C ATOM 207 C ILE A 13 5.050 -12.112 -1.938 1.00 40.22 C ATOM 208 O ILE A 13 4.988 -11.482 -2.995 1.00 24.30 O ATOM 209 CB ILE A 13 6.906 -13.775 -2.069 1.00 72.52 C ATOM 210 CG1 ILE A 13 7.253 -15.248 -2.300 1.00 50.41 C ATOM 211 CG2 ILE A 13 7.614 -13.247 -0.831 1.00 11.42 C ATOM 212 CD1 ILE A 13 8.733 -15.497 -2.491 1.00 53.34 C ATOM 0 H ILE A 13 4.688 -13.835 -3.895 1.00 51.25 H new ATOM 0 HA ILE A 13 5.058 -14.038 -0.987 1.00 71.24 H new ATOM 0 HB ILE A 13 7.246 -13.201 -2.931 1.00 72.52 H new ATOM 0 HG12 ILE A 13 6.901 -15.833 -1.451 1.00 50.41 H new ATOM 0 HG13 ILE A 13 6.716 -15.606 -3.178 1.00 50.41 H new ATOM 0 HG21 ILE A 13 8.690 -13.378 -0.944 1.00 11.42 H new ATOM 0 HG22 ILE A 13 7.388 -12.188 -0.707 1.00 11.42 H new ATOM 0 HG23 ILE A 13 7.272 -13.796 0.046 1.00 11.42 H new ATOM 0 HD11 ILE A 13 8.905 -16.562 -2.650 1.00 53.34 H new ATOM 0 HD12 ILE A 13 9.087 -14.939 -3.358 1.00 53.34 H new ATOM 0 HD13 ILE A 13 9.274 -15.170 -1.603 1.00 53.34 H new ATOM 224 N THR A 14 4.838 -11.553 -0.751 1.00 3.32 N ATOM 225 CA THR A 14 4.513 -10.138 -0.619 1.00 64.11 C ATOM 226 C THR A 14 5.416 -9.460 0.405 1.00 12.23 C ATOM 227 O THR A 14 5.682 -10.010 1.473 1.00 32.42 O ATOM 228 CB THR A 14 3.044 -9.935 -0.205 1.00 75.35 C ATOM 229 OG1 THR A 14 2.816 -10.503 1.089 1.00 21.32 O ATOM 230 CG2 THR A 14 2.104 -10.574 -1.217 1.00 52.31 C ATOM 0 H THR A 14 4.886 -12.059 0.133 1.00 3.32 H new ATOM 0 HA THR A 14 4.673 -9.685 -1.597 1.00 64.11 H new ATOM 0 HB THR A 14 2.844 -8.864 -0.171 1.00 75.35 H new ATOM 0 HG1 THR A 14 1.880 -10.368 1.345 1.00 21.32 H new ATOM 0 HG21 THR A 14 1.072 -10.418 -0.904 1.00 52.31 H new ATOM 0 HG22 THR A 14 2.259 -10.119 -2.195 1.00 52.31 H new ATOM 0 HG23 THR A 14 2.307 -11.643 -1.278 1.00 52.31 H new ATOM 238 N ALA A 15 5.884 -8.261 0.073 1.00 14.01 N ATOM 239 CA ALA A 15 6.754 -7.506 0.966 1.00 62.40 C ATOM 240 C ALA A 15 6.842 -6.045 0.541 1.00 44.42 C ATOM 241 O ALA A 15 6.821 -5.733 -0.649 1.00 64.24 O ATOM 242 CB ALA A 15 8.141 -8.132 1.004 1.00 52.40 C ATOM 0 H ALA A 15 5.675 -7.792 -0.808 1.00 14.01 H new ATOM 0 HA ALA A 15 6.324 -7.540 1.967 1.00 62.40 H new ATOM 0 HB1 ALA A 15 8.781 -7.558 1.675 1.00 52.40 H new ATOM 0 HB2 ALA A 15 8.067 -9.159 1.363 1.00 52.40 H new ATOM 0 HB3 ALA A 15 8.570 -8.128 0.002 1.00 52.40 H new ATOM 248 N GLU A 16 6.940 -5.153 1.522 1.00 43.44 N ATOM 249 CA GLU A 16 7.030 -3.723 1.247 1.00 20.32 C ATOM 250 C GLU A 16 8.426 -3.350 0.756 1.00 73.23 C ATOM 251 O GLU A 16 9.431 -3.831 1.280 1.00 71.33 O ATOM 252 CB GLU A 16 6.687 -2.918 2.502 1.00 1.12 C ATOM 253 CG GLU A 16 7.554 -3.262 3.702 1.00 51.22 C ATOM 254 CD GLU A 16 6.853 -4.180 4.684 1.00 14.53 C ATOM 255 OE1 GLU A 16 6.152 -3.664 5.580 1.00 14.12 O ATOM 256 OE2 GLU A 16 7.005 -5.412 4.558 1.00 73.41 O ATOM 0 H GLU A 16 6.959 -5.395 2.513 1.00 43.44 H new ATOM 0 HA GLU A 16 6.312 -3.484 0.463 1.00 20.32 H new ATOM 0 HB2 GLU A 16 6.791 -1.856 2.282 1.00 1.12 H new ATOM 0 HB3 GLU A 16 5.642 -3.089 2.759 1.00 1.12 H new ATOM 0 HG2 GLU A 16 8.472 -3.738 3.358 1.00 51.22 H new ATOM 0 HG3 GLU A 16 7.843 -2.343 4.212 1.00 51.22 H new ATOM 263 N THR A 17 8.480 -2.489 -0.256 1.00 10.02 N ATOM 264 CA THR A 17 9.751 -2.052 -0.820 1.00 53.01 C ATOM 265 C THR A 17 10.021 -0.587 -0.497 1.00 11.10 C ATOM 266 O THR A 17 9.135 0.128 -0.030 1.00 2.11 O ATOM 267 CB THR A 17 9.782 -2.243 -2.348 1.00 61.12 C ATOM 268 OG1 THR A 17 8.465 -2.525 -2.834 1.00 31.12 O ATOM 269 CG2 THR A 17 10.723 -3.375 -2.733 1.00 11.03 C ATOM 0 H THR A 17 7.658 -2.081 -0.701 1.00 10.02 H new ATOM 0 HA THR A 17 10.527 -2.670 -0.368 1.00 53.01 H new ATOM 0 HB THR A 17 10.145 -1.320 -2.800 1.00 61.12 H new ATOM 0 HG1 THR A 17 8.494 -2.643 -3.806 1.00 31.12 H new ATOM 0 HG21 THR A 17 10.728 -3.491 -3.817 1.00 11.03 H new ATOM 0 HG22 THR A 17 11.731 -3.144 -2.388 1.00 11.03 H new ATOM 0 HG23 THR A 17 10.385 -4.302 -2.270 1.00 11.03 H new ATOM 277 N GLU A 18 11.250 -0.147 -0.750 1.00 13.25 N ATOM 278 CA GLU A 18 11.635 1.234 -0.485 1.00 2.34 C ATOM 279 C GLU A 18 12.496 1.786 -1.618 1.00 31.24 C ATOM 280 O GLU A 18 13.110 1.042 -2.383 1.00 52.21 O ATOM 281 CB GLU A 18 12.394 1.330 0.840 1.00 3.14 C ATOM 282 CG GLU A 18 11.489 1.352 2.060 1.00 11.14 C ATOM 283 CD GLU A 18 11.076 -0.037 2.505 1.00 35.34 C ATOM 284 OE1 GLU A 18 10.067 -0.151 3.233 1.00 11.12 O ATOM 285 OE2 GLU A 18 11.760 -1.010 2.127 1.00 61.45 O ATOM 0 H GLU A 18 11.995 -0.726 -1.138 1.00 13.25 H new ATOM 0 HA GLU A 18 10.726 1.831 -0.419 1.00 2.34 H new ATOM 0 HB2 GLU A 18 13.077 0.484 0.920 1.00 3.14 H new ATOM 0 HB3 GLU A 18 13.004 2.233 0.835 1.00 3.14 H new ATOM 0 HG2 GLU A 18 12.003 1.854 2.880 1.00 11.14 H new ATOM 0 HG3 GLU A 18 10.597 1.938 1.836 1.00 11.14 H new ATOM 292 N PRO A 19 12.542 3.122 -1.728 1.00 64.34 N ATOM 293 CA PRO A 19 13.324 3.803 -2.764 1.00 41.43 C ATOM 294 C PRO A 19 14.826 3.672 -2.537 1.00 63.05 C ATOM 295 O PRO A 19 15.624 3.926 -3.439 1.00 42.12 O ATOM 296 CB PRO A 19 12.889 5.265 -2.632 1.00 42.15 C ATOM 297 CG PRO A 19 12.433 5.399 -1.220 1.00 64.25 C ATOM 298 CD PRO A 19 11.836 4.070 -0.851 1.00 33.54 C ATOM 0 HA PRO A 19 13.148 3.379 -3.752 1.00 41.43 H new ATOM 0 HB2 PRO A 19 13.714 5.944 -2.848 1.00 42.15 H new ATOM 0 HB3 PRO A 19 12.088 5.504 -3.331 1.00 42.15 H new ATOM 0 HG2 PRO A 19 13.266 5.649 -0.563 1.00 64.25 H new ATOM 0 HG3 PRO A 19 11.698 6.198 -1.121 1.00 64.25 H new ATOM 0 HD2 PRO A 19 11.994 3.837 0.202 1.00 33.54 H new ATOM 0 HD3 PRO A 19 10.760 4.051 -1.023 1.00 33.54 H new ATOM 306 N ALA A 20 15.205 3.273 -1.328 1.00 13.25 N ATOM 307 CA ALA A 20 16.611 3.106 -0.984 1.00 22.34 C ATOM 308 C ALA A 20 17.075 1.678 -1.251 1.00 25.02 C ATOM 309 O ALA A 20 18.261 1.432 -1.469 1.00 43.53 O ATOM 310 CB ALA A 20 16.846 3.475 0.474 1.00 72.03 C ATOM 0 H ALA A 20 14.557 3.059 -0.570 1.00 13.25 H new ATOM 0 HA ALA A 20 17.196 3.775 -1.615 1.00 22.34 H new ATOM 0 HB1 ALA A 20 17.901 3.345 0.717 1.00 72.03 H new ATOM 0 HB2 ALA A 20 16.561 4.515 0.637 1.00 72.03 H new ATOM 0 HB3 ALA A 20 16.244 2.830 1.114 1.00 72.03 H new ATOM 316 N GLU A 21 16.133 0.741 -1.231 1.00 21.51 N ATOM 317 CA GLU A 21 16.448 -0.663 -1.470 1.00 33.12 C ATOM 318 C GLU A 21 15.219 -1.419 -1.969 1.00 4.33 C ATOM 319 O GLU A 21 14.665 -2.261 -1.262 1.00 74.44 O ATOM 320 CB GLU A 21 16.976 -1.315 -0.191 1.00 24.15 C ATOM 321 CG GLU A 21 18.436 -1.002 0.094 1.00 72.11 C ATOM 322 CD GLU A 21 18.997 -1.825 1.237 1.00 11.03 C ATOM 323 OE1 GLU A 21 20.144 -2.304 1.116 1.00 72.25 O ATOM 324 OE2 GLU A 21 18.290 -1.990 2.253 1.00 32.11 O ATOM 0 H GLU A 21 15.146 0.928 -1.052 1.00 21.51 H new ATOM 0 HA GLU A 21 17.219 -0.710 -2.239 1.00 33.12 H new ATOM 0 HB2 GLU A 21 16.371 -0.983 0.653 1.00 24.15 H new ATOM 0 HB3 GLU A 21 16.853 -2.395 -0.266 1.00 24.15 H new ATOM 0 HG2 GLU A 21 19.025 -1.186 -0.804 1.00 72.11 H new ATOM 0 HG3 GLU A 21 18.537 0.057 0.330 1.00 72.11 H new ATOM 331 N THR A 22 14.799 -1.111 -3.192 1.00 15.34 N ATOM 332 CA THR A 22 13.636 -1.758 -3.785 1.00 74.04 C ATOM 333 C THR A 22 13.965 -3.178 -4.232 1.00 11.13 C ATOM 334 O THR A 22 13.280 -4.131 -3.860 1.00 22.04 O ATOM 335 CB THR A 22 13.105 -0.962 -4.993 1.00 63.40 C ATOM 336 OG1 THR A 22 14.023 0.083 -5.332 1.00 41.11 O ATOM 337 CG2 THR A 22 11.739 -0.366 -4.690 1.00 71.35 C ATOM 0 H THR A 22 15.247 -0.417 -3.791 1.00 15.34 H new ATOM 0 HA THR A 22 12.866 -1.792 -3.014 1.00 74.04 H new ATOM 0 HB THR A 22 13.006 -1.646 -5.836 1.00 63.40 H new ATOM 0 HG1 THR A 22 13.892 0.842 -4.726 1.00 41.11 H new ATOM 0 HG21 THR A 22 11.385 0.191 -5.557 1.00 71.35 H new ATOM 0 HG22 THR A 22 11.036 -1.166 -4.461 1.00 71.35 H new ATOM 0 HG23 THR A 22 11.816 0.305 -3.835 1.00 71.35 H new ATOM 345 N VAL A 23 15.018 -3.313 -5.031 1.00 42.23 N ATOM 346 CA VAL A 23 15.440 -4.618 -5.527 1.00 54.41 C ATOM 347 C VAL A 23 16.160 -5.411 -4.443 1.00 5.20 C ATOM 348 O VAL A 23 15.866 -6.585 -4.219 1.00 43.51 O ATOM 349 CB VAL A 23 16.366 -4.481 -6.750 1.00 3.22 C ATOM 350 CG1 VAL A 23 16.871 -5.846 -7.193 1.00 2.44 C ATOM 351 CG2 VAL A 23 15.645 -3.775 -7.888 1.00 61.01 C ATOM 0 H VAL A 23 15.595 -2.534 -5.349 1.00 42.23 H new ATOM 0 HA VAL A 23 14.537 -5.152 -5.823 1.00 54.41 H new ATOM 0 HB VAL A 23 17.227 -3.876 -6.466 1.00 3.22 H new ATOM 0 HG11 VAL A 23 17.524 -5.729 -8.058 1.00 2.44 H new ATOM 0 HG12 VAL A 23 17.427 -6.310 -6.379 1.00 2.44 H new ATOM 0 HG13 VAL A 23 16.024 -6.478 -7.460 1.00 2.44 H new ATOM 0 HG21 VAL A 23 16.314 -3.687 -8.744 1.00 61.01 H new ATOM 0 HG22 VAL A 23 14.765 -4.351 -8.174 1.00 61.01 H new ATOM 0 HG23 VAL A 23 15.339 -2.781 -7.563 1.00 61.01 H new ATOM 361 N ALA A 24 17.106 -4.761 -3.772 1.00 61.21 N ATOM 362 CA ALA A 24 17.868 -5.405 -2.709 1.00 72.01 C ATOM 363 C ALA A 24 16.942 -6.007 -1.657 1.00 51.43 C ATOM 364 O ALA A 24 17.247 -7.044 -1.069 1.00 33.13 O ATOM 365 CB ALA A 24 18.823 -4.410 -2.067 1.00 51.21 C ATOM 0 H ALA A 24 17.363 -3.789 -3.946 1.00 61.21 H new ATOM 0 HA ALA A 24 18.448 -6.215 -3.151 1.00 72.01 H new ATOM 0 HB1 ALA A 24 19.385 -4.905 -1.275 1.00 51.21 H new ATOM 0 HB2 ALA A 24 19.514 -4.031 -2.820 1.00 51.21 H new ATOM 0 HB3 ALA A 24 18.255 -3.581 -1.645 1.00 51.21 H new ATOM 371 N ASP A 25 15.811 -5.349 -1.425 1.00 44.24 N ATOM 372 CA ASP A 25 14.841 -5.819 -0.444 1.00 75.22 C ATOM 373 C ASP A 25 14.287 -7.185 -0.839 1.00 24.03 C ATOM 374 O ASP A 25 14.072 -8.049 0.012 1.00 23.14 O ATOM 375 CB ASP A 25 13.697 -4.813 -0.304 1.00 20.23 C ATOM 376 CG ASP A 25 12.493 -5.400 0.407 1.00 64.31 C ATOM 377 OD1 ASP A 25 12.582 -5.634 1.631 1.00 40.13 O ATOM 378 OD2 ASP A 25 11.462 -5.626 -0.261 1.00 5.54 O ATOM 0 H ASP A 25 15.544 -4.489 -1.903 1.00 44.24 H new ATOM 0 HA ASP A 25 15.349 -5.916 0.515 1.00 75.22 H new ATOM 0 HB2 ASP A 25 14.050 -3.940 0.245 1.00 20.23 H new ATOM 0 HB3 ASP A 25 13.398 -4.467 -1.294 1.00 20.23 H new ATOM 383 N LEU A 26 14.058 -7.373 -2.134 1.00 30.04 N ATOM 384 CA LEU A 26 13.528 -8.634 -2.642 1.00 5.14 C ATOM 385 C LEU A 26 14.619 -9.698 -2.700 1.00 23.51 C ATOM 386 O LEU A 26 14.433 -10.821 -2.229 1.00 53.31 O ATOM 387 CB LEU A 26 12.922 -8.432 -4.031 1.00 62.04 C ATOM 388 CG LEU A 26 11.800 -9.395 -4.421 1.00 21.14 C ATOM 389 CD1 LEU A 26 12.304 -10.830 -4.420 1.00 41.03 C ATOM 390 CD2 LEU A 26 10.616 -9.244 -3.477 1.00 0.33 C ATOM 0 H LEU A 26 14.231 -6.669 -2.851 1.00 30.04 H new ATOM 0 HA LEU A 26 12.750 -8.975 -1.959 1.00 5.14 H new ATOM 0 HB2 LEU A 26 12.538 -7.414 -4.093 1.00 62.04 H new ATOM 0 HB3 LEU A 26 13.719 -8.517 -4.769 1.00 62.04 H new ATOM 0 HG LEU A 26 11.469 -9.148 -5.430 1.00 21.14 H new ATOM 0 HD11 LEU A 26 11.492 -11.501 -4.700 1.00 41.03 H new ATOM 0 HD12 LEU A 26 13.120 -10.930 -5.136 1.00 41.03 H new ATOM 0 HD13 LEU A 26 12.662 -11.089 -3.424 1.00 41.03 H new ATOM 0 HD21 LEU A 26 9.827 -9.937 -3.769 1.00 0.33 H new ATOM 0 HD22 LEU A 26 10.933 -9.464 -2.458 1.00 0.33 H new ATOM 0 HD23 LEU A 26 10.239 -8.223 -3.527 1.00 0.33 H new ATOM 402 N LYS A 27 15.760 -9.339 -3.279 1.00 13.50 N ATOM 403 CA LYS A 27 16.883 -10.261 -3.396 1.00 41.43 C ATOM 404 C LYS A 27 17.353 -10.723 -2.021 1.00 21.30 C ATOM 405 O LYS A 27 17.581 -11.913 -1.801 1.00 52.44 O ATOM 406 CB LYS A 27 18.040 -9.595 -4.145 1.00 51.30 C ATOM 407 CG LYS A 27 17.614 -8.896 -5.424 1.00 41.54 C ATOM 408 CD LYS A 27 18.627 -9.104 -6.537 1.00 43.24 C ATOM 409 CE LYS A 27 19.832 -8.189 -6.373 1.00 74.42 C ATOM 410 NZ LYS A 27 21.036 -8.729 -7.064 1.00 12.34 N ATOM 0 H LYS A 27 15.931 -8.415 -3.675 1.00 13.50 H new ATOM 0 HA LYS A 27 16.548 -11.133 -3.958 1.00 41.43 H new ATOM 0 HB2 LYS A 27 18.518 -8.870 -3.487 1.00 51.30 H new ATOM 0 HB3 LYS A 27 18.789 -10.350 -4.385 1.00 51.30 H new ATOM 0 HG2 LYS A 27 16.642 -9.274 -5.740 1.00 41.54 H new ATOM 0 HG3 LYS A 27 17.494 -7.829 -5.234 1.00 41.54 H new ATOM 0 HD2 LYS A 27 18.956 -10.143 -6.541 1.00 43.24 H new ATOM 0 HD3 LYS A 27 18.154 -8.915 -7.501 1.00 43.24 H new ATOM 0 HE2 LYS A 27 19.596 -7.202 -6.772 1.00 74.42 H new ATOM 0 HE3 LYS A 27 20.049 -8.060 -5.313 1.00 74.42 H new ATOM 0 HZ1 LYS A 27 21.869 -8.614 -6.452 1.00 12.34 H new ATOM 0 HZ2 LYS A 27 20.895 -9.739 -7.270 1.00 12.34 H new ATOM 0 HZ3 LYS A 27 21.187 -8.212 -7.954 1.00 12.34 H new ATOM 424 N GLN A 28 17.495 -9.776 -1.099 1.00 73.24 N ATOM 425 CA GLN A 28 17.937 -10.088 0.255 1.00 73.44 C ATOM 426 C GLN A 28 16.920 -10.972 0.969 1.00 14.02 C ATOM 427 O GLN A 28 17.285 -11.860 1.740 1.00 42.21 O ATOM 428 CB GLN A 28 18.160 -8.801 1.050 1.00 21.34 C ATOM 429 CG GLN A 28 18.420 -9.038 2.529 1.00 12.34 C ATOM 430 CD GLN A 28 18.695 -7.753 3.286 1.00 33.33 C ATOM 431 OE1 GLN A 28 17.967 -6.770 3.148 1.00 41.44 O ATOM 432 NE2 GLN A 28 19.749 -7.755 4.093 1.00 22.53 N ATOM 0 H GLN A 28 17.310 -8.787 -1.265 1.00 73.24 H new ATOM 0 HA GLN A 28 18.879 -10.632 0.187 1.00 73.44 H new ATOM 0 HB2 GLN A 28 19.005 -8.261 0.623 1.00 21.34 H new ATOM 0 HB3 GLN A 28 17.285 -8.160 0.941 1.00 21.34 H new ATOM 0 HG2 GLN A 28 17.558 -9.538 2.970 1.00 12.34 H new ATOM 0 HG3 GLN A 28 19.270 -9.711 2.641 1.00 12.34 H new ATOM 0 HE21 GLN A 28 20.325 -8.592 4.177 1.00 22.53 H new ATOM 0 HE22 GLN A 28 19.982 -6.919 4.629 1.00 22.53 H new ATOM 441 N LYS A 29 15.641 -10.723 0.709 1.00 53.12 N ATOM 442 CA LYS A 29 14.569 -11.496 1.326 1.00 42.32 C ATOM 443 C LYS A 29 14.749 -12.986 1.057 1.00 22.41 C ATOM 444 O LYS A 29 14.606 -13.811 1.960 1.00 12.14 O ATOM 445 CB LYS A 29 13.209 -11.032 0.798 1.00 24.25 C ATOM 446 CG LYS A 29 12.564 -9.951 1.648 1.00 42.44 C ATOM 447 CD LYS A 29 11.878 -10.537 2.870 1.00 1.42 C ATOM 448 CE LYS A 29 10.821 -9.593 3.422 1.00 52.40 C ATOM 449 NZ LYS A 29 11.428 -8.391 4.058 1.00 50.42 N ATOM 0 H LYS A 29 15.321 -9.991 0.075 1.00 53.12 H new ATOM 0 HA LYS A 29 14.609 -11.332 2.403 1.00 42.32 H new ATOM 0 HB2 LYS A 29 13.331 -10.659 -0.219 1.00 24.25 H new ATOM 0 HB3 LYS A 29 12.538 -11.889 0.744 1.00 24.25 H new ATOM 0 HG2 LYS A 29 13.322 -9.235 1.964 1.00 42.44 H new ATOM 0 HG3 LYS A 29 11.837 -9.402 1.050 1.00 42.44 H new ATOM 0 HD2 LYS A 29 11.416 -11.489 2.608 1.00 1.42 H new ATOM 0 HD3 LYS A 29 12.620 -10.745 3.641 1.00 1.42 H new ATOM 0 HE2 LYS A 29 10.157 -9.281 2.616 1.00 52.40 H new ATOM 0 HE3 LYS A 29 10.209 -10.121 4.153 1.00 52.40 H new ATOM 0 HZ1 LYS A 29 10.675 -7.773 4.422 1.00 50.42 H new ATOM 0 HZ2 LYS A 29 12.042 -8.687 4.843 1.00 50.42 H new ATOM 0 HZ3 LYS A 29 11.991 -7.873 3.354 1.00 50.42 H new ATOM 463 N ILE A 30 15.065 -13.324 -0.188 1.00 62.54 N ATOM 464 CA ILE A 30 15.267 -14.716 -0.574 1.00 3.41 C ATOM 465 C ILE A 30 16.603 -15.240 -0.059 1.00 64.12 C ATOM 466 O ILE A 30 16.740 -16.423 0.250 1.00 34.33 O ATOM 467 CB ILE A 30 15.215 -14.889 -2.103 1.00 62.23 C ATOM 468 CG1 ILE A 30 13.861 -14.427 -2.645 1.00 72.40 C ATOM 469 CG2 ILE A 30 15.476 -16.340 -2.481 1.00 2.41 C ATOM 470 CD1 ILE A 30 13.932 -13.858 -4.045 1.00 30.52 C ATOM 0 H ILE A 30 15.187 -12.654 -0.947 1.00 62.54 H new ATOM 0 HA ILE A 30 14.457 -15.290 -0.124 1.00 3.41 H new ATOM 0 HB ILE A 30 15.994 -14.271 -2.550 1.00 62.23 H new ATOM 0 HG12 ILE A 30 13.170 -15.270 -2.639 1.00 72.40 H new ATOM 0 HG13 ILE A 30 13.449 -13.672 -1.975 1.00 72.40 H new ATOM 0 HG21 ILE A 30 15.436 -16.446 -3.565 1.00 2.41 H new ATOM 0 HG22 ILE A 30 16.462 -16.638 -2.123 1.00 2.41 H new ATOM 0 HG23 ILE A 30 14.717 -16.977 -2.026 1.00 2.41 H new ATOM 0 HD11 ILE A 30 12.936 -13.551 -4.364 1.00 30.52 H new ATOM 0 HD12 ILE A 30 14.598 -12.995 -4.054 1.00 30.52 H new ATOM 0 HD13 ILE A 30 14.314 -14.617 -4.727 1.00 30.52 H new ATOM 482 N ALA A 31 17.587 -14.351 0.031 1.00 12.32 N ATOM 483 CA ALA A 31 18.911 -14.723 0.512 1.00 5.23 C ATOM 484 C ALA A 31 18.829 -15.408 1.872 1.00 3.54 C ATOM 485 O ALA A 31 19.440 -16.455 2.089 1.00 53.42 O ATOM 486 CB ALA A 31 19.808 -13.496 0.590 1.00 25.31 C ATOM 0 H ALA A 31 17.492 -13.368 -0.223 1.00 12.32 H new ATOM 0 HA ALA A 31 19.342 -15.431 -0.196 1.00 5.23 H new ATOM 0 HB1 ALA A 31 20.794 -13.789 0.951 1.00 25.31 H new ATOM 0 HB2 ALA A 31 19.902 -13.050 -0.400 1.00 25.31 H new ATOM 0 HB3 ALA A 31 19.372 -12.769 1.275 1.00 25.31 H new ATOM 492 N ASP A 32 18.072 -14.810 2.786 1.00 41.34 N ATOM 493 CA ASP A 32 17.910 -15.362 4.125 1.00 31.53 C ATOM 494 C ASP A 32 16.968 -16.563 4.108 1.00 45.34 C ATOM 495 O ASP A 32 17.008 -17.410 5.000 1.00 0.11 O ATOM 496 CB ASP A 32 17.376 -14.294 5.080 1.00 52.40 C ATOM 497 CG ASP A 32 18.322 -13.118 5.220 1.00 3.44 C ATOM 498 OD1 ASP A 32 17.919 -12.100 5.821 1.00 2.54 O ATOM 499 OD2 ASP A 32 19.466 -13.216 4.730 1.00 4.41 O ATOM 0 H ASP A 32 17.561 -13.942 2.623 1.00 41.34 H new ATOM 0 HA ASP A 32 18.888 -15.694 4.474 1.00 31.53 H new ATOM 0 HB2 ASP A 32 16.410 -13.939 4.720 1.00 52.40 H new ATOM 0 HB3 ASP A 32 17.207 -14.739 6.060 1.00 52.40 H new ATOM 504 N LYS A 33 16.121 -16.628 3.086 1.00 22.52 N ATOM 505 CA LYS A 33 15.169 -17.724 2.951 1.00 71.32 C ATOM 506 C LYS A 33 15.882 -19.023 2.587 1.00 12.20 C ATOM 507 O LYS A 33 15.614 -20.072 3.171 1.00 72.45 O ATOM 508 CB LYS A 33 14.122 -17.389 1.886 1.00 63.02 C ATOM 509 CG LYS A 33 13.078 -18.476 1.696 1.00 0.51 C ATOM 510 CD LYS A 33 12.027 -18.067 0.678 1.00 51.13 C ATOM 511 CE LYS A 33 11.005 -17.117 1.282 1.00 13.34 C ATOM 512 NZ LYS A 33 9.732 -17.105 0.509 1.00 63.41 N ATOM 0 H LYS A 33 16.075 -15.935 2.339 1.00 22.52 H new ATOM 0 HA LYS A 33 14.671 -17.860 3.911 1.00 71.32 H new ATOM 0 HB2 LYS A 33 13.622 -16.460 2.160 1.00 63.02 H new ATOM 0 HB3 LYS A 33 14.626 -17.211 0.936 1.00 63.02 H new ATOM 0 HG2 LYS A 33 13.564 -19.395 1.369 1.00 0.51 H new ATOM 0 HG3 LYS A 33 12.597 -18.691 2.650 1.00 0.51 H new ATOM 0 HD2 LYS A 33 12.511 -17.589 -0.174 1.00 51.13 H new ATOM 0 HD3 LYS A 33 11.521 -18.955 0.300 1.00 51.13 H new ATOM 0 HE2 LYS A 33 10.801 -17.410 2.312 1.00 13.34 H new ATOM 0 HE3 LYS A 33 11.420 -16.110 1.313 1.00 13.34 H new ATOM 0 HZ1 LYS A 33 9.100 -16.373 0.892 1.00 63.41 H new ATOM 0 HZ2 LYS A 33 9.935 -16.900 -0.490 1.00 63.41 H new ATOM 0 HZ3 LYS A 33 9.271 -18.034 0.585 1.00 63.41 H new ATOM 526 N GLU A 34 16.791 -18.943 1.621 1.00 42.24 N ATOM 527 CA GLU A 34 17.542 -20.113 1.181 1.00 44.32 C ATOM 528 C GLU A 34 18.985 -20.051 1.676 1.00 54.23 C ATOM 529 O GLU A 34 19.842 -20.804 1.217 1.00 25.14 O ATOM 530 CB GLU A 34 17.519 -20.217 -0.346 1.00 4.24 C ATOM 531 CG GLU A 34 16.280 -20.908 -0.890 1.00 45.30 C ATOM 532 CD GLU A 34 16.239 -22.385 -0.549 1.00 15.54 C ATOM 533 OE1 GLU A 34 15.131 -22.902 -0.292 1.00 23.15 O ATOM 534 OE2 GLU A 34 17.312 -23.022 -0.538 1.00 71.40 O ATOM 0 H GLU A 34 17.025 -18.081 1.128 1.00 42.24 H new ATOM 0 HA GLU A 34 17.068 -20.998 1.605 1.00 44.32 H new ATOM 0 HB2 GLU A 34 17.582 -19.215 -0.771 1.00 4.24 H new ATOM 0 HB3 GLU A 34 18.403 -20.761 -0.678 1.00 4.24 H new ATOM 0 HG2 GLU A 34 15.391 -20.421 -0.488 1.00 45.30 H new ATOM 0 HG3 GLU A 34 16.247 -20.788 -1.973 1.00 45.30 H new ATOM 541 N GLY A 35 19.244 -19.146 2.615 1.00 54.00 N ATOM 542 CA GLY A 35 20.582 -19.001 3.156 1.00 22.14 C ATOM 543 C GLY A 35 21.630 -18.835 2.074 1.00 5.22 C ATOM 544 O GLY A 35 22.770 -19.275 2.230 1.00 13.53 O ATOM 0 H GLY A 35 18.551 -18.511 3.010 1.00 54.00 H new ATOM 0 HA2 GLY A 35 20.610 -18.137 3.820 1.00 22.14 H new ATOM 0 HA3 GLY A 35 20.823 -19.876 3.760 1.00 22.14 H new ATOM 548 N VAL A 36 21.245 -18.199 0.972 1.00 23.20 N ATOM 549 CA VAL A 36 22.160 -17.976 -0.141 1.00 62.31 C ATOM 550 C VAL A 36 22.480 -16.494 -0.302 1.00 33.33 C ATOM 551 O VAL A 36 21.716 -15.621 0.111 1.00 41.03 O ATOM 552 CB VAL A 36 21.577 -18.511 -1.463 1.00 13.53 C ATOM 553 CG1 VAL A 36 21.691 -20.026 -1.523 1.00 60.11 C ATOM 554 CG2 VAL A 36 20.129 -18.070 -1.622 1.00 64.02 C ATOM 0 H VAL A 36 20.306 -17.829 0.826 1.00 23.20 H new ATOM 0 HA VAL A 36 23.076 -18.519 0.090 1.00 62.31 H new ATOM 0 HB VAL A 36 22.153 -18.095 -2.289 1.00 13.53 H new ATOM 0 HG11 VAL A 36 21.274 -20.385 -2.464 1.00 60.11 H new ATOM 0 HG12 VAL A 36 22.740 -20.315 -1.457 1.00 60.11 H new ATOM 0 HG13 VAL A 36 21.141 -20.466 -0.691 1.00 60.11 H new ATOM 0 HG21 VAL A 36 19.732 -18.456 -2.561 1.00 64.02 H new ATOM 0 HG22 VAL A 36 19.538 -18.456 -0.792 1.00 64.02 H new ATOM 0 HG23 VAL A 36 20.079 -16.981 -1.627 1.00 64.02 H new ATOM 564 N PRO A 37 23.636 -16.201 -0.916 1.00 35.41 N ATOM 565 CA PRO A 37 24.083 -14.825 -1.146 1.00 53.55 C ATOM 566 C PRO A 37 23.233 -14.106 -2.189 1.00 62.12 C ATOM 567 O PRO A 37 22.668 -14.734 -3.084 1.00 63.55 O ATOM 568 CB PRO A 37 25.517 -14.997 -1.652 1.00 61.42 C ATOM 569 CG PRO A 37 25.546 -16.362 -2.250 1.00 2.23 C ATOM 570 CD PRO A 37 24.595 -17.192 -1.433 1.00 54.22 C ATOM 0 HA PRO A 37 24.005 -14.216 -0.246 1.00 53.55 H new ATOM 0 HB2 PRO A 37 25.770 -14.236 -2.390 1.00 61.42 H new ATOM 0 HB3 PRO A 37 26.237 -14.905 -0.839 1.00 61.42 H new ATOM 0 HG2 PRO A 37 25.242 -16.336 -3.296 1.00 2.23 H new ATOM 0 HG3 PRO A 37 26.552 -16.780 -2.221 1.00 2.23 H new ATOM 0 HD2 PRO A 37 24.101 -17.951 -2.039 1.00 54.22 H new ATOM 0 HD3 PRO A 37 25.109 -17.714 -0.625 1.00 54.22 H new ATOM 578 N VAL A 38 23.147 -12.785 -2.068 1.00 22.12 N ATOM 579 CA VAL A 38 22.368 -11.981 -3.001 1.00 53.31 C ATOM 580 C VAL A 38 22.813 -12.221 -4.439 1.00 64.21 C ATOM 581 O VAL A 38 22.041 -12.033 -5.379 1.00 33.20 O ATOM 582 CB VAL A 38 22.487 -10.478 -2.683 1.00 31.53 C ATOM 583 CG1 VAL A 38 21.664 -10.126 -1.453 1.00 72.20 C ATOM 584 CG2 VAL A 38 23.945 -10.090 -2.488 1.00 54.40 C ATOM 0 H VAL A 38 23.608 -12.249 -1.332 1.00 22.12 H new ATOM 0 HA VAL A 38 21.328 -12.287 -2.890 1.00 53.31 H new ATOM 0 HB VAL A 38 22.094 -9.912 -3.528 1.00 31.53 H new ATOM 0 HG11 VAL A 38 21.760 -9.061 -1.244 1.00 72.20 H new ATOM 0 HG12 VAL A 38 20.617 -10.367 -1.635 1.00 72.20 H new ATOM 0 HG13 VAL A 38 22.025 -10.698 -0.598 1.00 72.20 H new ATOM 0 HG21 VAL A 38 24.011 -9.025 -2.264 1.00 54.40 H new ATOM 0 HG22 VAL A 38 24.366 -10.662 -1.661 1.00 54.40 H new ATOM 0 HG23 VAL A 38 24.504 -10.305 -3.399 1.00 54.40 H new ATOM 594 N ASP A 39 24.064 -12.638 -4.603 1.00 31.20 N ATOM 595 CA ASP A 39 24.613 -12.906 -5.927 1.00 61.50 C ATOM 596 C ASP A 39 23.822 -14.004 -6.631 1.00 73.05 C ATOM 597 O ASP A 39 23.814 -14.086 -7.859 1.00 45.44 O ATOM 598 CB ASP A 39 26.084 -13.310 -5.820 1.00 65.11 C ATOM 599 CG ASP A 39 26.875 -12.951 -7.063 1.00 21.12 C ATOM 600 OD1 ASP A 39 27.518 -11.880 -7.069 1.00 32.12 O ATOM 601 OD2 ASP A 39 26.852 -13.741 -8.029 1.00 71.51 O ATOM 0 H ASP A 39 24.717 -12.798 -3.836 1.00 31.20 H new ATOM 0 HA ASP A 39 24.537 -11.992 -6.517 1.00 61.50 H new ATOM 0 HB2 ASP A 39 26.530 -12.820 -4.955 1.00 65.11 H new ATOM 0 HB3 ASP A 39 26.151 -14.384 -5.648 1.00 65.11 H new ATOM 606 N GLN A 40 23.158 -14.845 -5.845 1.00 70.53 N ATOM 607 CA GLN A 40 22.365 -15.939 -6.395 1.00 21.05 C ATOM 608 C GLN A 40 20.950 -15.474 -6.723 1.00 21.24 C ATOM 609 O GLN A 40 20.226 -16.138 -7.464 1.00 51.52 O ATOM 610 CB GLN A 40 22.315 -17.107 -5.407 1.00 42.45 C ATOM 611 CG GLN A 40 21.919 -18.428 -6.047 1.00 42.52 C ATOM 612 CD GLN A 40 22.813 -18.802 -7.213 1.00 31.51 C ATOM 613 OE1 GLN A 40 22.572 -18.396 -8.350 1.00 63.32 O ATOM 614 NE2 GLN A 40 23.852 -19.582 -6.936 1.00 51.40 N ATOM 0 H GLN A 40 23.153 -14.790 -4.826 1.00 70.53 H new ATOM 0 HA GLN A 40 22.841 -16.272 -7.317 1.00 21.05 H new ATOM 0 HB2 GLN A 40 23.293 -17.218 -4.939 1.00 42.45 H new ATOM 0 HB3 GLN A 40 21.607 -16.871 -4.613 1.00 42.45 H new ATOM 0 HG2 GLN A 40 21.958 -19.217 -5.296 1.00 42.52 H new ATOM 0 HG3 GLN A 40 20.887 -18.366 -6.391 1.00 42.52 H new ATOM 0 HE21 GLN A 40 24.014 -19.895 -5.979 1.00 51.40 H new ATOM 0 HE22 GLN A 40 24.488 -19.868 -7.680 1.00 51.40 H new ATOM 623 N GLN A 41 20.564 -14.331 -6.165 1.00 33.31 N ATOM 624 CA GLN A 41 19.235 -13.779 -6.398 1.00 75.21 C ATOM 625 C GLN A 41 19.269 -12.725 -7.499 1.00 55.34 C ATOM 626 O GLN A 41 20.162 -11.878 -7.534 1.00 72.23 O ATOM 627 CB GLN A 41 18.679 -13.170 -5.110 1.00 20.15 C ATOM 628 CG GLN A 41 18.358 -14.200 -4.039 1.00 24.24 C ATOM 629 CD GLN A 41 17.551 -15.367 -4.574 1.00 2.54 C ATOM 630 OE1 GLN A 41 16.494 -15.180 -5.177 1.00 30.03 O ATOM 631 NE2 GLN A 41 18.047 -16.579 -4.356 1.00 35.24 N ATOM 0 H GLN A 41 21.152 -13.770 -5.549 1.00 33.31 H new ATOM 0 HA GLN A 41 18.583 -14.592 -6.718 1.00 75.21 H new ATOM 0 HB2 GLN A 41 19.403 -12.458 -4.713 1.00 20.15 H new ATOM 0 HB3 GLN A 41 17.775 -12.608 -5.344 1.00 20.15 H new ATOM 0 HG2 GLN A 41 19.288 -14.573 -3.609 1.00 24.24 H new ATOM 0 HG3 GLN A 41 17.804 -13.719 -3.233 1.00 24.24 H new ATOM 0 HE21 GLN A 41 18.927 -16.687 -3.851 1.00 35.24 H new ATOM 0 HE22 GLN A 41 17.548 -17.402 -4.693 1.00 35.24 H new ATOM 640 N ARG A 42 18.291 -12.782 -8.397 1.00 75.44 N ATOM 641 CA ARG A 42 18.210 -11.833 -9.501 1.00 73.21 C ATOM 642 C ARG A 42 16.790 -11.295 -9.653 1.00 31.33 C ATOM 643 O ARG A 42 15.823 -12.058 -9.659 1.00 72.12 O ATOM 644 CB ARG A 42 18.657 -12.496 -10.805 1.00 45.33 C ATOM 645 CG ARG A 42 19.226 -11.518 -11.821 1.00 72.21 C ATOM 646 CD ARG A 42 20.687 -11.207 -11.537 1.00 51.44 C ATOM 647 NE ARG A 42 21.171 -10.082 -12.334 1.00 23.15 N ATOM 648 CZ ARG A 42 21.493 -10.176 -13.619 1.00 22.42 C ATOM 649 NH1 ARG A 42 21.382 -11.337 -14.250 1.00 63.01 N ATOM 650 NH2 ARG A 42 21.927 -9.108 -14.276 1.00 13.15 N ATOM 0 H ARG A 42 17.543 -13.476 -8.382 1.00 75.44 H new ATOM 0 HA ARG A 42 18.875 -10.998 -9.279 1.00 73.21 H new ATOM 0 HB2 ARG A 42 19.410 -13.252 -10.579 1.00 45.33 H new ATOM 0 HB3 ARG A 42 17.807 -13.015 -11.249 1.00 45.33 H new ATOM 0 HG2 ARG A 42 19.130 -11.936 -12.823 1.00 72.21 H new ATOM 0 HG3 ARG A 42 18.646 -10.595 -11.803 1.00 72.21 H new ATOM 0 HD2 ARG A 42 20.811 -10.981 -10.478 1.00 51.44 H new ATOM 0 HD3 ARG A 42 21.293 -12.088 -11.748 1.00 51.44 H new ATOM 0 HE ARG A 42 21.267 -9.174 -11.878 1.00 23.15 H new ATOM 0 HH11 ARG A 42 21.049 -12.160 -13.748 1.00 63.01 H new ATOM 0 HH12 ARG A 42 21.630 -11.407 -15.237 1.00 63.01 H new ATOM 0 HH21 ARG A 42 22.014 -8.213 -13.794 1.00 13.15 H new ATOM 0 HH22 ARG A 42 22.174 -9.182 -15.263 1.00 13.15 H new ATOM 664 N LEU A 43 16.672 -9.978 -9.774 1.00 11.33 N ATOM 665 CA LEU A 43 15.370 -9.337 -9.925 1.00 2.31 C ATOM 666 C LEU A 43 15.004 -9.188 -11.398 1.00 42.01 C ATOM 667 O LEU A 43 15.741 -8.577 -12.172 1.00 44.41 O ATOM 668 CB LEU A 43 15.373 -7.965 -9.247 1.00 63.24 C ATOM 669 CG LEU A 43 14.052 -7.525 -8.616 1.00 72.35 C ATOM 670 CD1 LEU A 43 12.918 -7.632 -9.624 1.00 53.41 C ATOM 671 CD2 LEU A 43 13.748 -8.358 -7.379 1.00 42.33 C ATOM 0 H LEU A 43 17.462 -9.333 -9.771 1.00 11.33 H new ATOM 0 HA LEU A 43 14.623 -9.970 -9.446 1.00 2.31 H new ATOM 0 HB2 LEU A 43 16.140 -7.967 -8.472 1.00 63.24 H new ATOM 0 HB3 LEU A 43 15.667 -7.218 -9.985 1.00 63.24 H new ATOM 0 HG LEU A 43 14.145 -6.482 -8.313 1.00 72.35 H new ATOM 0 HD11 LEU A 43 11.985 -7.315 -9.157 1.00 53.41 H new ATOM 0 HD12 LEU A 43 13.131 -6.993 -10.481 1.00 53.41 H new ATOM 0 HD13 LEU A 43 12.824 -8.666 -9.957 1.00 53.41 H new ATOM 0 HD21 LEU A 43 12.804 -8.031 -6.943 1.00 42.33 H new ATOM 0 HD22 LEU A 43 13.674 -9.409 -7.657 1.00 42.33 H new ATOM 0 HD23 LEU A 43 14.548 -8.231 -6.649 1.00 42.33 H new ATOM 683 N ILE A 44 13.861 -9.749 -11.778 1.00 2.10 N ATOM 684 CA ILE A 44 13.396 -9.675 -13.157 1.00 62.55 C ATOM 685 C ILE A 44 11.914 -9.322 -13.220 1.00 1.10 C ATOM 686 O ILE A 44 11.119 -9.788 -12.404 1.00 13.23 O ATOM 687 CB ILE A 44 13.627 -11.004 -13.901 1.00 22.41 C ATOM 688 CG1 ILE A 44 15.095 -11.423 -13.798 1.00 22.24 C ATOM 689 CG2 ILE A 44 13.209 -10.876 -15.358 1.00 14.11 C ATOM 690 CD1 ILE A 44 15.373 -12.797 -14.366 1.00 32.44 C ATOM 0 H ILE A 44 13.240 -10.260 -11.150 1.00 2.10 H new ATOM 0 HA ILE A 44 13.975 -8.890 -13.643 1.00 62.55 H new ATOM 0 HB ILE A 44 13.014 -11.775 -13.434 1.00 22.41 H new ATOM 0 HG12 ILE A 44 15.711 -10.691 -14.321 1.00 22.24 H new ATOM 0 HG13 ILE A 44 15.397 -11.404 -12.751 1.00 22.24 H new ATOM 0 HG21 ILE A 44 13.379 -11.823 -15.870 1.00 14.11 H new ATOM 0 HG22 ILE A 44 12.151 -10.619 -15.412 1.00 14.11 H new ATOM 0 HG23 ILE A 44 13.797 -10.094 -15.838 1.00 14.11 H new ATOM 0 HD11 ILE A 44 16.433 -13.027 -14.259 1.00 32.44 H new ATOM 0 HD12 ILE A 44 14.784 -13.539 -13.827 1.00 32.44 H new ATOM 0 HD13 ILE A 44 15.103 -12.816 -15.422 1.00 32.44 H new ATOM 702 N PHE A 45 11.549 -8.496 -14.195 1.00 60.43 N ATOM 703 CA PHE A 45 10.162 -8.081 -14.366 1.00 13.43 C ATOM 704 C PHE A 45 9.728 -8.217 -15.822 1.00 70.22 C ATOM 705 O PHE A 45 10.123 -7.423 -16.676 1.00 35.25 O ATOM 706 CB PHE A 45 9.980 -6.634 -13.901 1.00 70.12 C ATOM 707 CG PHE A 45 8.582 -6.116 -14.086 1.00 22.44 C ATOM 708 CD1 PHE A 45 8.174 -5.606 -15.307 1.00 52.12 C ATOM 709 CD2 PHE A 45 7.677 -6.140 -13.037 1.00 54.21 C ATOM 710 CE1 PHE A 45 6.888 -5.129 -15.481 1.00 21.05 C ATOM 711 CE2 PHE A 45 6.390 -5.665 -13.205 1.00 14.24 C ATOM 712 CZ PHE A 45 5.995 -5.158 -14.427 1.00 42.33 C ATOM 0 H PHE A 45 12.195 -8.101 -14.879 1.00 60.43 H new ATOM 0 HA PHE A 45 9.536 -8.733 -13.757 1.00 13.43 H new ATOM 0 HB2 PHE A 45 10.249 -6.563 -12.847 1.00 70.12 H new ATOM 0 HB3 PHE A 45 10.671 -5.995 -14.450 1.00 70.12 H new ATOM 0 HD1 PHE A 45 8.869 -5.581 -16.133 1.00 52.12 H new ATOM 0 HD2 PHE A 45 7.980 -6.534 -12.078 1.00 54.21 H new ATOM 0 HE1 PHE A 45 6.582 -4.735 -16.439 1.00 21.05 H new ATOM 0 HE2 PHE A 45 5.693 -5.690 -12.380 1.00 14.24 H new ATOM 0 HZ PHE A 45 4.990 -4.785 -14.559 1.00 42.33 H new ATOM 722 N ALA A 46 8.914 -9.231 -16.098 1.00 53.43 N ATOM 723 CA ALA A 46 8.425 -9.471 -17.450 1.00 72.42 C ATOM 724 C ALA A 46 9.574 -9.500 -18.452 1.00 72.44 C ATOM 725 O ALA A 46 9.412 -9.110 -19.608 1.00 25.21 O ATOM 726 CB ALA A 46 7.408 -8.409 -17.841 1.00 0.03 C ATOM 0 H ALA A 46 8.580 -9.899 -15.403 1.00 53.43 H new ATOM 0 HA ALA A 46 7.939 -10.446 -17.466 1.00 72.42 H new ATOM 0 HB1 ALA A 46 7.052 -8.601 -18.853 1.00 0.03 H new ATOM 0 HB2 ALA A 46 6.567 -8.438 -17.149 1.00 0.03 H new ATOM 0 HB3 ALA A 46 7.876 -7.425 -17.802 1.00 0.03 H new ATOM 732 N GLY A 47 10.735 -9.965 -18.001 1.00 61.13 N ATOM 733 CA GLY A 47 11.894 -10.035 -18.872 1.00 23.35 C ATOM 734 C GLY A 47 12.757 -8.792 -18.790 1.00 0.34 C ATOM 735 O GLY A 47 13.581 -8.539 -19.669 1.00 55.32 O ATOM 0 H GLY A 47 10.894 -10.294 -17.049 1.00 61.13 H new ATOM 0 HA2 GLY A 47 12.492 -10.907 -18.606 1.00 23.35 H new ATOM 0 HA3 GLY A 47 11.563 -10.177 -19.901 1.00 23.35 H new ATOM 739 N LYS A 48 12.568 -8.011 -17.731 1.00 71.02 N ATOM 740 CA LYS A 48 13.334 -6.786 -17.537 1.00 23.04 C ATOM 741 C LYS A 48 14.363 -6.959 -16.424 1.00 1.12 C ATOM 742 O LYS A 48 14.015 -7.297 -15.293 1.00 4.44 O ATOM 743 CB LYS A 48 12.398 -5.622 -17.204 1.00 4.20 C ATOM 744 CG LYS A 48 12.930 -4.269 -17.644 1.00 4.11 C ATOM 745 CD LYS A 48 12.864 -4.108 -19.153 1.00 44.24 C ATOM 746 CE LYS A 48 13.181 -2.681 -19.576 1.00 70.41 C ATOM 747 NZ LYS A 48 14.613 -2.340 -19.349 1.00 34.43 N ATOM 0 H LYS A 48 11.890 -8.205 -16.994 1.00 71.02 H new ATOM 0 HA LYS A 48 13.861 -6.566 -18.465 1.00 23.04 H new ATOM 0 HB2 LYS A 48 11.433 -5.796 -17.679 1.00 4.20 H new ATOM 0 HB3 LYS A 48 12.225 -5.602 -16.128 1.00 4.20 H new ATOM 0 HG2 LYS A 48 12.352 -3.477 -17.167 1.00 4.11 H new ATOM 0 HG3 LYS A 48 13.961 -4.156 -17.310 1.00 4.11 H new ATOM 0 HD2 LYS A 48 13.569 -4.793 -19.624 1.00 44.24 H new ATOM 0 HD3 LYS A 48 11.869 -4.381 -19.506 1.00 44.24 H new ATOM 0 HE2 LYS A 48 12.940 -2.553 -20.631 1.00 70.41 H new ATOM 0 HE3 LYS A 48 12.550 -1.988 -19.019 1.00 70.41 H new ATOM 0 HZ1 LYS A 48 14.788 -1.360 -19.650 1.00 34.43 H new ATOM 0 HZ2 LYS A 48 14.837 -2.437 -18.338 1.00 34.43 H new ATOM 0 HZ3 LYS A 48 15.215 -2.984 -19.900 1.00 34.43 H new ATOM 761 N GLN A 49 15.629 -6.724 -16.753 1.00 2.22 N ATOM 762 CA GLN A 49 16.707 -6.853 -15.780 1.00 25.22 C ATOM 763 C GLN A 49 16.734 -5.657 -14.834 1.00 41.35 C ATOM 764 O GLN A 49 17.148 -4.561 -15.215 1.00 10.42 O ATOM 765 CB GLN A 49 18.054 -6.984 -16.494 1.00 20.33 C ATOM 766 CG GLN A 49 18.355 -8.396 -16.970 1.00 71.05 C ATOM 767 CD GLN A 49 19.672 -8.492 -17.714 1.00 63.43 C ATOM 768 OE1 GLN A 49 20.624 -9.110 -17.237 1.00 24.14 O ATOM 769 NE2 GLN A 49 19.734 -7.881 -18.891 1.00 41.33 N ATOM 0 H GLN A 49 15.933 -6.443 -17.685 1.00 2.22 H new ATOM 0 HA GLN A 49 16.526 -7.753 -15.193 1.00 25.22 H new ATOM 0 HB2 GLN A 49 18.069 -6.310 -17.350 1.00 20.33 H new ATOM 0 HB3 GLN A 49 18.847 -6.660 -15.819 1.00 20.33 H new ATOM 0 HG2 GLN A 49 18.377 -9.068 -16.112 1.00 71.05 H new ATOM 0 HG3 GLN A 49 17.549 -8.736 -17.620 1.00 71.05 H new ATOM 0 HE21 GLN A 49 18.921 -7.380 -19.249 1.00 41.33 H new ATOM 0 HE22 GLN A 49 20.595 -7.913 -19.437 1.00 41.33 H new ATOM 778 N LEU A 50 16.290 -5.873 -13.601 1.00 61.44 N ATOM 779 CA LEU A 50 16.263 -4.812 -12.601 1.00 34.44 C ATOM 780 C LEU A 50 17.457 -4.921 -11.659 1.00 25.12 C ATOM 781 O LEU A 50 17.710 -5.978 -11.081 1.00 40.14 O ATOM 782 CB LEU A 50 14.961 -4.873 -11.800 1.00 35.10 C ATOM 783 CG LEU A 50 13.716 -5.308 -12.575 1.00 20.45 C ATOM 784 CD1 LEU A 50 12.478 -5.203 -11.698 1.00 53.20 C ATOM 785 CD2 LEU A 50 13.553 -4.472 -13.835 1.00 15.51 C ATOM 0 H LEU A 50 15.944 -6.773 -13.270 1.00 61.44 H new ATOM 0 HA LEU A 50 16.319 -3.855 -13.120 1.00 34.44 H new ATOM 0 HB2 LEU A 50 15.103 -5.559 -10.965 1.00 35.10 H new ATOM 0 HB3 LEU A 50 14.773 -3.887 -11.374 1.00 35.10 H new ATOM 0 HG LEU A 50 13.840 -6.350 -12.869 1.00 20.45 H new ATOM 0 HD11 LEU A 50 11.602 -5.516 -12.266 1.00 53.20 H new ATOM 0 HD12 LEU A 50 12.594 -5.846 -10.826 1.00 53.20 H new ATOM 0 HD13 LEU A 50 12.349 -4.171 -11.373 1.00 53.20 H new ATOM 0 HD21 LEU A 50 12.662 -4.795 -14.374 1.00 15.51 H new ATOM 0 HD22 LEU A 50 13.451 -3.421 -13.564 1.00 15.51 H new ATOM 0 HD23 LEU A 50 14.428 -4.599 -14.472 1.00 15.51 H new ATOM 797 N GLU A 51 18.188 -3.820 -11.508 1.00 35.43 N ATOM 798 CA GLU A 51 19.355 -3.793 -10.634 1.00 51.34 C ATOM 799 C GLU A 51 19.046 -3.053 -9.336 1.00 51.52 C ATOM 800 O GLU A 51 17.993 -2.429 -9.200 1.00 42.33 O ATOM 801 CB GLU A 51 20.535 -3.127 -11.345 1.00 65.40 C ATOM 802 CG GLU A 51 20.815 -3.698 -12.725 1.00 64.30 C ATOM 803 CD GLU A 51 22.200 -3.345 -13.233 1.00 13.41 C ATOM 804 OE1 GLU A 51 22.293 -2.693 -14.294 1.00 51.22 O ATOM 805 OE2 GLU A 51 23.189 -3.719 -12.570 1.00 22.40 O ATOM 0 H GLU A 51 17.993 -2.937 -11.979 1.00 35.43 H new ATOM 0 HA GLU A 51 19.619 -4.822 -10.391 1.00 51.34 H new ATOM 0 HB2 GLU A 51 20.337 -2.059 -11.436 1.00 65.40 H new ATOM 0 HB3 GLU A 51 21.427 -3.235 -10.729 1.00 65.40 H new ATOM 0 HG2 GLU A 51 20.709 -4.782 -12.694 1.00 64.30 H new ATOM 0 HG3 GLU A 51 20.069 -3.325 -13.427 1.00 64.30 H new ATOM 812 N ASP A 52 19.970 -3.127 -8.385 1.00 63.32 N ATOM 813 CA ASP A 52 19.798 -2.465 -7.098 1.00 1.53 C ATOM 814 C ASP A 52 19.562 -0.969 -7.284 1.00 3.14 C ATOM 815 O ASP A 52 18.878 -0.334 -6.481 1.00 41.23 O ATOM 816 CB ASP A 52 21.025 -2.694 -6.214 1.00 30.03 C ATOM 817 CG ASP A 52 22.301 -2.176 -6.848 1.00 13.31 C ATOM 818 OD1 ASP A 52 22.729 -1.057 -6.492 1.00 72.52 O ATOM 819 OD2 ASP A 52 22.871 -2.889 -7.699 1.00 45.54 O ATOM 0 H ASP A 52 20.847 -3.639 -8.481 1.00 63.32 H new ATOM 0 HA ASP A 52 18.923 -2.895 -6.610 1.00 1.53 H new ATOM 0 HB2 ASP A 52 20.874 -2.201 -5.254 1.00 30.03 H new ATOM 0 HB3 ASP A 52 21.130 -3.760 -6.012 1.00 30.03 H new ATOM 824 N SER A 53 20.134 -0.412 -8.346 1.00 65.45 N ATOM 825 CA SER A 53 19.991 1.010 -8.635 1.00 73.32 C ATOM 826 C SER A 53 18.582 1.324 -9.129 1.00 13.24 C ATOM 827 O SER A 53 18.142 2.474 -9.097 1.00 71.34 O ATOM 828 CB SER A 53 21.019 1.446 -9.681 1.00 33.11 C ATOM 829 OG SER A 53 22.244 0.755 -9.511 1.00 21.24 O ATOM 0 H SER A 53 20.701 -0.924 -9.021 1.00 65.45 H new ATOM 0 HA SER A 53 20.166 1.563 -7.712 1.00 73.32 H new ATOM 0 HB2 SER A 53 20.627 1.258 -10.681 1.00 33.11 H new ATOM 0 HB3 SER A 53 21.190 2.520 -9.602 1.00 33.11 H new ATOM 0 HG SER A 53 22.883 1.050 -10.193 1.00 21.24 H new ATOM 835 N LYS A 54 17.878 0.294 -9.585 1.00 33.35 N ATOM 836 CA LYS A 54 16.518 0.457 -10.084 1.00 73.32 C ATOM 837 C LYS A 54 15.503 0.331 -8.952 1.00 43.10 C ATOM 838 O LYS A 54 15.775 -0.295 -7.927 1.00 2.22 O ATOM 839 CB LYS A 54 16.222 -0.584 -11.166 1.00 73.23 C ATOM 840 CG LYS A 54 17.227 -0.581 -12.304 1.00 64.35 C ATOM 841 CD LYS A 54 17.257 0.759 -13.019 1.00 10.51 C ATOM 842 CE LYS A 54 15.909 1.089 -13.641 1.00 50.24 C ATOM 843 NZ LYS A 54 16.009 2.204 -14.623 1.00 43.51 N ATOM 0 H LYS A 54 18.227 -0.664 -9.619 1.00 33.35 H new ATOM 0 HA LYS A 54 16.433 1.455 -10.514 1.00 73.32 H new ATOM 0 HB2 LYS A 54 16.204 -1.574 -10.711 1.00 73.23 H new ATOM 0 HB3 LYS A 54 15.227 -0.402 -11.571 1.00 73.23 H new ATOM 0 HG2 LYS A 54 18.219 -0.809 -11.915 1.00 64.35 H new ATOM 0 HG3 LYS A 54 16.975 -1.368 -13.015 1.00 64.35 H new ATOM 0 HD2 LYS A 54 17.535 1.543 -12.314 1.00 10.51 H new ATOM 0 HD3 LYS A 54 18.022 0.742 -13.795 1.00 10.51 H new ATOM 0 HE2 LYS A 54 15.511 0.203 -14.136 1.00 50.24 H new ATOM 0 HE3 LYS A 54 15.203 1.359 -12.856 1.00 50.24 H new ATOM 0 HZ1 LYS A 54 15.069 2.398 -15.024 1.00 43.51 H new ATOM 0 HZ2 LYS A 54 16.365 3.057 -14.145 1.00 43.51 H new ATOM 0 HZ3 LYS A 54 16.663 1.937 -15.386 1.00 43.51 H new ATOM 857 N THR A 55 14.331 0.929 -9.144 1.00 64.11 N ATOM 858 CA THR A 55 13.276 0.883 -8.140 1.00 5.53 C ATOM 859 C THR A 55 11.901 0.796 -8.791 1.00 31.24 C ATOM 860 O THR A 55 11.753 1.044 -9.987 1.00 1.12 O ATOM 861 CB THR A 55 13.320 2.120 -7.223 1.00 1.52 C ATOM 862 OG1 THR A 55 12.743 3.247 -7.892 1.00 45.25 O ATOM 863 CG2 THR A 55 14.750 2.443 -6.817 1.00 23.23 C ATOM 0 H THR A 55 14.089 1.451 -9.986 1.00 64.11 H new ATOM 0 HA THR A 55 13.448 -0.011 -7.541 1.00 5.53 H new ATOM 0 HB THR A 55 12.745 1.898 -6.324 1.00 1.52 H new ATOM 0 HG1 THR A 55 12.773 4.029 -7.302 1.00 45.25 H new ATOM 0 HG21 THR A 55 14.755 3.320 -6.170 1.00 23.23 H new ATOM 0 HG22 THR A 55 15.177 1.595 -6.282 1.00 23.23 H new ATOM 0 HG23 THR A 55 15.344 2.646 -7.708 1.00 23.23 H new ATOM 871 N MET A 56 10.897 0.442 -7.995 1.00 75.25 N ATOM 872 CA MET A 56 9.532 0.324 -8.495 1.00 73.44 C ATOM 873 C MET A 56 9.033 1.660 -9.036 1.00 0.02 C ATOM 874 O MET A 56 8.398 1.716 -10.088 1.00 40.44 O ATOM 875 CB MET A 56 8.601 -0.171 -7.387 1.00 13.24 C ATOM 876 CG MET A 56 9.004 -1.518 -6.810 1.00 60.43 C ATOM 877 SD MET A 56 8.451 -2.902 -7.826 1.00 14.32 S ATOM 878 CE MET A 56 9.939 -3.897 -7.882 1.00 33.11 C ATOM 0 H MET A 56 11.003 0.232 -7.002 1.00 75.25 H new ATOM 0 HA MET A 56 9.532 -0.400 -9.310 1.00 73.44 H new ATOM 0 HB2 MET A 56 8.580 0.567 -6.585 1.00 13.24 H new ATOM 0 HB3 MET A 56 7.587 -0.243 -7.781 1.00 13.24 H new ATOM 0 HG2 MET A 56 10.089 -1.556 -6.710 1.00 60.43 H new ATOM 0 HG3 MET A 56 8.588 -1.619 -5.808 1.00 60.43 H new ATOM 0 HE1 MET A 56 10.330 -3.910 -8.899 1.00 33.11 H new ATOM 0 HE2 MET A 56 10.686 -3.472 -7.211 1.00 33.11 H new ATOM 0 HE3 MET A 56 9.708 -4.915 -7.569 1.00 33.11 H new ATOM 888 N ALA A 57 9.325 2.733 -8.308 1.00 55.43 N ATOM 889 CA ALA A 57 8.907 4.069 -8.716 1.00 40.00 C ATOM 890 C ALA A 57 9.512 4.445 -10.064 1.00 54.54 C ATOM 891 O ALA A 57 9.006 5.329 -10.757 1.00 5.11 O ATOM 892 CB ALA A 57 9.297 5.090 -7.657 1.00 75.03 C ATOM 0 H ALA A 57 9.849 2.703 -7.433 1.00 55.43 H new ATOM 0 HA ALA A 57 7.822 4.068 -8.822 1.00 40.00 H new ATOM 0 HB1 ALA A 57 8.979 6.083 -7.974 1.00 75.03 H new ATOM 0 HB2 ALA A 57 8.813 4.838 -6.713 1.00 75.03 H new ATOM 0 HB3 ALA A 57 10.379 5.081 -7.524 1.00 75.03 H new ATOM 898 N ASP A 58 10.596 3.770 -10.431 1.00 14.45 N ATOM 899 CA ASP A 58 11.269 4.034 -11.697 1.00 1.12 C ATOM 900 C ASP A 58 10.548 3.343 -12.850 1.00 23.21 C ATOM 901 O ASP A 58 10.344 3.934 -13.911 1.00 35.54 O ATOM 902 CB ASP A 58 12.723 3.564 -11.633 1.00 2.30 C ATOM 903 CG ASP A 58 13.602 4.260 -12.654 1.00 12.10 C ATOM 904 OD1 ASP A 58 13.167 4.396 -13.817 1.00 0.10 O ATOM 905 OD2 ASP A 58 14.724 4.669 -12.290 1.00 12.42 O ATOM 0 H ASP A 58 11.027 3.036 -9.869 1.00 14.45 H new ATOM 0 HA ASP A 58 11.250 5.109 -11.873 1.00 1.12 H new ATOM 0 HB2 ASP A 58 13.117 3.747 -10.633 1.00 2.30 H new ATOM 0 HB3 ASP A 58 12.761 2.487 -11.799 1.00 2.30 H new ATOM 910 N TYR A 59 10.167 2.089 -12.635 1.00 61.44 N ATOM 911 CA TYR A 59 9.472 1.315 -13.658 1.00 4.41 C ATOM 912 C TYR A 59 7.972 1.592 -13.625 1.00 24.34 C ATOM 913 O TYR A 59 7.225 1.123 -14.482 1.00 14.32 O ATOM 914 CB TYR A 59 9.731 -0.179 -13.461 1.00 25.21 C ATOM 915 CG TYR A 59 11.069 -0.638 -13.997 1.00 10.33 C ATOM 916 CD1 TYR A 59 11.258 -0.851 -15.357 1.00 22.34 C ATOM 917 CD2 TYR A 59 12.143 -0.858 -13.143 1.00 71.44 C ATOM 918 CE1 TYR A 59 12.478 -1.271 -15.851 1.00 1.12 C ATOM 919 CE2 TYR A 59 13.367 -1.277 -13.629 1.00 12.51 C ATOM 920 CZ TYR A 59 13.529 -1.482 -14.983 1.00 44.41 C ATOM 921 OH TYR A 59 14.747 -1.900 -15.470 1.00 55.55 O ATOM 0 H TYR A 59 10.327 1.586 -11.762 1.00 61.44 H new ATOM 0 HA TYR A 59 9.858 1.618 -14.631 1.00 4.41 H new ATOM 0 HB2 TYR A 59 9.676 -0.412 -12.398 1.00 25.21 H new ATOM 0 HB3 TYR A 59 8.939 -0.744 -13.952 1.00 25.21 H new ATOM 0 HD1 TYR A 59 10.437 -0.685 -16.039 1.00 22.34 H new ATOM 0 HD2 TYR A 59 12.019 -0.699 -12.082 1.00 71.44 H new ATOM 0 HE1 TYR A 59 12.608 -1.433 -16.911 1.00 1.12 H new ATOM 0 HE2 TYR A 59 14.192 -1.443 -12.952 1.00 12.51 H new ATOM 0 HH TYR A 59 15.379 -2.000 -14.728 1.00 55.55 H new ATOM 931 N ASN A 60 7.540 2.357 -12.627 1.00 64.15 N ATOM 932 CA ASN A 60 6.130 2.697 -12.481 1.00 33.12 C ATOM 933 C ASN A 60 5.288 1.444 -12.259 1.00 23.21 C ATOM 934 O ASN A 60 4.139 1.370 -12.696 1.00 3.25 O ATOM 935 CB ASN A 60 5.633 3.446 -13.719 1.00 72.20 C ATOM 936 CG ASN A 60 6.524 4.618 -14.082 1.00 61.23 C ATOM 937 OD1 ASN A 60 7.059 4.686 -15.189 1.00 71.41 O ATOM 938 ND2 ASN A 60 6.688 5.548 -13.149 1.00 31.13 N ATOM 0 H ASN A 60 8.146 2.753 -11.908 1.00 64.15 H new ATOM 0 HA ASN A 60 6.027 3.342 -11.609 1.00 33.12 H new ATOM 0 HB2 ASN A 60 5.583 2.756 -14.562 1.00 72.20 H new ATOM 0 HB3 ASN A 60 4.620 3.805 -13.540 1.00 72.20 H new ATOM 0 HD21 ASN A 60 7.277 6.360 -13.336 1.00 31.13 H new ATOM 0 HD22 ASN A 60 6.225 5.451 -12.245 1.00 31.13 H new ATOM 945 N ILE A 61 5.868 0.461 -11.578 1.00 2.55 N ATOM 946 CA ILE A 61 5.171 -0.787 -11.296 1.00 64.53 C ATOM 947 C ILE A 61 4.816 -0.898 -9.817 1.00 51.35 C ATOM 948 O ILE A 61 5.695 -1.034 -8.967 1.00 12.51 O ATOM 949 CB ILE A 61 6.018 -2.008 -11.701 1.00 63.35 C ATOM 950 CG1 ILE A 61 7.468 -1.823 -11.250 1.00 24.14 C ATOM 951 CG2 ILE A 61 5.950 -2.224 -13.206 1.00 21.51 C ATOM 952 CD1 ILE A 61 8.328 -3.050 -11.459 1.00 31.11 C ATOM 0 H ILE A 61 6.819 0.505 -11.212 1.00 2.55 H new ATOM 0 HA ILE A 61 4.255 -0.777 -11.887 1.00 64.53 H new ATOM 0 HB ILE A 61 5.614 -2.892 -11.207 1.00 63.35 H new ATOM 0 HG12 ILE A 61 7.905 -0.986 -11.794 1.00 24.14 H new ATOM 0 HG13 ILE A 61 7.480 -1.557 -10.193 1.00 24.14 H new ATOM 0 HG21 ILE A 61 6.554 -3.090 -13.477 1.00 21.51 H new ATOM 0 HG22 ILE A 61 4.915 -2.396 -13.503 1.00 21.51 H new ATOM 0 HG23 ILE A 61 6.333 -1.341 -13.718 1.00 21.51 H new ATOM 0 HD11 ILE A 61 9.343 -2.846 -11.117 1.00 31.11 H new ATOM 0 HD12 ILE A 61 7.915 -3.885 -10.892 1.00 31.11 H new ATOM 0 HD13 ILE A 61 8.347 -3.305 -12.519 1.00 31.11 H new ATOM 964 N GLN A 62 3.522 -0.840 -9.520 1.00 11.13 N ATOM 965 CA GLN A 62 3.050 -0.934 -8.143 1.00 64.41 C ATOM 966 C GLN A 62 1.633 -1.495 -8.091 1.00 11.24 C ATOM 967 O GLN A 62 1.096 -1.951 -9.100 1.00 62.32 O ATOM 968 CB GLN A 62 3.094 0.439 -7.471 1.00 53.24 C ATOM 969 CG GLN A 62 4.499 0.999 -7.321 1.00 61.12 C ATOM 970 CD GLN A 62 4.954 1.771 -8.544 1.00 73.32 C ATOM 971 OE1 GLN A 62 4.194 1.951 -9.497 1.00 23.52 O ATOM 972 NE2 GLN A 62 6.199 2.232 -8.524 1.00 54.33 N ATOM 0 H GLN A 62 2.782 -0.728 -10.213 1.00 11.13 H new ATOM 0 HA GLN A 62 3.710 -1.614 -7.605 1.00 64.41 H new ATOM 0 HB2 GLN A 62 2.494 1.138 -8.053 1.00 53.24 H new ATOM 0 HB3 GLN A 62 2.634 0.367 -6.486 1.00 53.24 H new ATOM 0 HG2 GLN A 62 4.534 1.653 -6.450 1.00 61.12 H new ATOM 0 HG3 GLN A 62 5.194 0.181 -7.134 1.00 61.12 H new ATOM 0 HE21 GLN A 62 6.794 2.059 -7.714 1.00 54.33 H new ATOM 0 HE22 GLN A 62 6.561 2.759 -9.319 1.00 54.33 H new ATOM 981 N LYS A 63 1.031 -1.458 -6.907 1.00 11.44 N ATOM 982 CA LYS A 63 -0.325 -1.961 -6.721 1.00 51.41 C ATOM 983 C LYS A 63 -0.392 -3.459 -6.999 1.00 55.25 C ATOM 984 O LYS A 63 -1.071 -3.896 -7.928 1.00 63.23 O ATOM 985 CB LYS A 63 -1.297 -1.216 -7.639 1.00 73.21 C ATOM 986 CG LYS A 63 -1.927 0.007 -6.995 1.00 25.10 C ATOM 987 CD LYS A 63 -3.192 0.431 -7.721 1.00 70.23 C ATOM 988 CE LYS A 63 -2.886 1.396 -8.856 1.00 74.05 C ATOM 989 NZ LYS A 63 -4.071 2.224 -9.215 1.00 73.41 N ATOM 0 H LYS A 63 1.461 -1.084 -6.061 1.00 11.44 H new ATOM 0 HA LYS A 63 -0.611 -1.789 -5.683 1.00 51.41 H new ATOM 0 HB2 LYS A 63 -0.768 -0.909 -8.541 1.00 73.21 H new ATOM 0 HB3 LYS A 63 -2.087 -1.900 -7.949 1.00 73.21 H new ATOM 0 HG2 LYS A 63 -2.160 -0.209 -5.952 1.00 25.10 H new ATOM 0 HG3 LYS A 63 -1.212 0.830 -6.998 1.00 25.10 H new ATOM 0 HD2 LYS A 63 -3.698 -0.449 -8.117 1.00 70.23 H new ATOM 0 HD3 LYS A 63 -3.877 0.902 -7.016 1.00 70.23 H new ATOM 0 HE2 LYS A 63 -2.062 2.048 -8.566 1.00 74.05 H new ATOM 0 HE3 LYS A 63 -2.556 0.835 -9.731 1.00 74.05 H new ATOM 0 HZ1 LYS A 63 -3.822 2.869 -9.992 1.00 73.41 H new ATOM 0 HZ2 LYS A 63 -4.850 1.604 -9.516 1.00 73.41 H new ATOM 0 HZ3 LYS A 63 -4.370 2.779 -8.388 1.00 73.41 H new ATOM 1003 N GLU A 64 0.314 -4.239 -6.188 1.00 30.42 N ATOM 1004 CA GLU A 64 0.333 -5.689 -6.348 1.00 14.32 C ATOM 1005 C GLU A 64 0.916 -6.079 -7.703 1.00 10.02 C ATOM 1006 O GLU A 64 0.608 -7.143 -8.240 1.00 52.31 O ATOM 1007 CB GLU A 64 -1.081 -6.258 -6.206 1.00 5.15 C ATOM 1008 CG GLU A 64 -1.833 -5.725 -4.998 1.00 1.40 C ATOM 1009 CD GLU A 64 -2.883 -6.694 -4.490 1.00 42.41 C ATOM 1010 OE1 GLU A 64 -3.160 -6.683 -3.272 1.00 43.33 O ATOM 1011 OE2 GLU A 64 -3.427 -7.463 -5.310 1.00 12.45 O ATOM 0 H GLU A 64 0.880 -3.892 -5.414 1.00 30.42 H new ATOM 0 HA GLU A 64 0.966 -6.107 -5.565 1.00 14.32 H new ATOM 0 HB2 GLU A 64 -1.649 -6.027 -7.108 1.00 5.15 H new ATOM 0 HB3 GLU A 64 -1.021 -7.344 -6.136 1.00 5.15 H new ATOM 0 HG2 GLU A 64 -1.124 -5.512 -4.198 1.00 1.40 H new ATOM 0 HG3 GLU A 64 -2.311 -4.781 -5.260 1.00 1.40 H new ATOM 1018 N SER A 65 1.760 -5.210 -8.250 1.00 11.24 N ATOM 1019 CA SER A 65 2.384 -5.461 -9.544 1.00 15.53 C ATOM 1020 C SER A 65 2.959 -6.872 -9.605 1.00 23.10 C ATOM 1021 O SER A 65 3.181 -7.511 -8.576 1.00 4.44 O ATOM 1022 CB SER A 65 3.488 -4.435 -9.809 1.00 33.23 C ATOM 1023 OG SER A 65 2.986 -3.318 -10.521 1.00 52.13 O ATOM 0 H SER A 65 2.027 -4.326 -7.817 1.00 11.24 H new ATOM 0 HA SER A 65 1.618 -5.367 -10.314 1.00 15.53 H new ATOM 0 HB2 SER A 65 3.916 -4.104 -8.863 1.00 33.23 H new ATOM 0 HB3 SER A 65 4.293 -4.901 -10.378 1.00 33.23 H new ATOM 0 HG SER A 65 2.236 -2.926 -10.027 1.00 52.13 H new ATOM 1029 N THR A 66 3.199 -7.354 -10.820 1.00 63.44 N ATOM 1030 CA THR A 66 3.748 -8.690 -11.018 1.00 72.10 C ATOM 1031 C THR A 66 5.264 -8.691 -10.857 1.00 74.35 C ATOM 1032 O THR A 66 5.948 -7.780 -11.324 1.00 65.14 O ATOM 1033 CB THR A 66 3.390 -9.244 -12.410 1.00 71.01 C ATOM 1034 OG1 THR A 66 1.968 -9.349 -12.545 1.00 42.52 O ATOM 1035 CG2 THR A 66 4.027 -10.608 -12.630 1.00 11.11 C ATOM 0 H THR A 66 3.022 -6.839 -11.682 1.00 63.44 H new ATOM 0 HA THR A 66 3.304 -9.330 -10.256 1.00 72.10 H new ATOM 0 HB THR A 66 3.776 -8.555 -13.161 1.00 71.01 H new ATOM 0 HG1 THR A 66 1.749 -9.700 -13.433 1.00 42.52 H new ATOM 0 HG21 THR A 66 3.760 -10.979 -13.620 1.00 11.11 H new ATOM 0 HG22 THR A 66 5.111 -10.520 -12.556 1.00 11.11 H new ATOM 0 HG23 THR A 66 3.667 -11.304 -11.872 1.00 11.11 H new ATOM 1043 N LEU A 67 5.783 -9.719 -10.195 1.00 72.23 N ATOM 1044 CA LEU A 67 7.220 -9.839 -9.974 1.00 33.53 C ATOM 1045 C LEU A 67 7.681 -11.281 -10.161 1.00 33.41 C ATOM 1046 O LEU A 67 6.934 -12.223 -9.892 1.00 51.13 O ATOM 1047 CB LEU A 67 7.581 -9.355 -8.569 1.00 3.24 C ATOM 1048 CG LEU A 67 8.683 -8.298 -8.486 1.00 42.21 C ATOM 1049 CD1 LEU A 67 10.022 -8.889 -8.899 1.00 70.14 C ATOM 1050 CD2 LEU A 67 8.337 -7.098 -9.355 1.00 40.50 C ATOM 0 H LEU A 67 5.231 -10.481 -9.802 1.00 72.23 H new ATOM 0 HA LEU A 67 7.729 -9.216 -10.709 1.00 33.53 H new ATOM 0 HB2 LEU A 67 6.682 -8.951 -8.103 1.00 3.24 H new ATOM 0 HB3 LEU A 67 7.887 -10.217 -7.977 1.00 3.24 H new ATOM 0 HG LEU A 67 8.761 -7.962 -7.452 1.00 42.21 H new ATOM 0 HD11 LEU A 67 10.794 -8.122 -8.834 1.00 70.14 H new ATOM 0 HD12 LEU A 67 10.275 -9.716 -8.235 1.00 70.14 H new ATOM 0 HD13 LEU A 67 9.958 -9.253 -9.924 1.00 70.14 H new ATOM 0 HD21 LEU A 67 9.132 -6.356 -9.284 1.00 40.50 H new ATOM 0 HD22 LEU A 67 8.231 -7.418 -10.392 1.00 40.50 H new ATOM 0 HD23 LEU A 67 7.400 -6.659 -9.013 1.00 40.50 H new ATOM 1062 N HIS A 68 8.917 -11.447 -10.621 1.00 73.14 N ATOM 1063 CA HIS A 68 9.479 -12.775 -10.842 1.00 12.23 C ATOM 1064 C HIS A 68 10.603 -13.060 -9.851 1.00 21.14 C ATOM 1065 O HIS A 68 11.330 -12.154 -9.445 1.00 23.12 O ATOM 1066 CB HIS A 68 10.001 -12.899 -12.273 1.00 64.32 C ATOM 1067 CG HIS A 68 8.933 -12.769 -13.314 1.00 74.34 C ATOM 1068 ND1 HIS A 68 8.671 -13.747 -14.251 1.00 31.34 N ATOM 1069 CD2 HIS A 68 8.056 -11.769 -13.563 1.00 13.42 C ATOM 1070 CE1 HIS A 68 7.681 -13.353 -15.031 1.00 35.11 C ATOM 1071 NE2 HIS A 68 7.289 -12.156 -14.634 1.00 50.42 N ATOM 0 H HIS A 68 9.548 -10.679 -10.848 1.00 73.14 H new ATOM 0 HA HIS A 68 8.688 -13.508 -10.688 1.00 12.23 H new ATOM 0 HB2 HIS A 68 10.757 -12.133 -12.443 1.00 64.32 H new ATOM 0 HB3 HIS A 68 10.494 -13.864 -12.389 1.00 64.32 H new ATOM 0 HD2 HIS A 68 7.974 -10.839 -13.020 1.00 13.42 H new ATOM 0 HE1 HIS A 68 7.263 -13.914 -15.854 1.00 35.11 H new ATOM 0 HE2 HIS A 68 6.538 -11.608 -15.055 1.00 50.42 H new ATOM 1079 N MET A 69 10.739 -14.325 -9.465 1.00 15.32 N ATOM 1080 CA MET A 69 11.775 -14.729 -8.521 1.00 54.43 C ATOM 1081 C MET A 69 12.585 -15.898 -9.072 1.00 1.23 C ATOM 1082 O MET A 69 12.042 -16.792 -9.721 1.00 12.24 O ATOM 1083 CB MET A 69 11.150 -15.113 -7.179 1.00 20.03 C ATOM 1084 CG MET A 69 12.170 -15.522 -6.129 1.00 3.03 C ATOM 1085 SD MET A 69 12.456 -17.302 -6.094 1.00 42.13 S ATOM 1086 CE MET A 69 12.803 -17.556 -4.355 1.00 52.44 C ATOM 0 H MET A 69 10.145 -15.087 -9.791 1.00 15.32 H new ATOM 0 HA MET A 69 12.446 -13.883 -8.371 1.00 54.43 H new ATOM 0 HB2 MET A 69 10.571 -14.270 -6.802 1.00 20.03 H new ATOM 0 HB3 MET A 69 10.451 -15.935 -7.335 1.00 20.03 H new ATOM 0 HG2 MET A 69 13.112 -15.010 -6.325 1.00 3.03 H new ATOM 0 HG3 MET A 69 11.827 -15.194 -5.148 1.00 3.03 H new ATOM 0 HE1 MET A 69 12.328 -18.478 -4.020 1.00 52.44 H new ATOM 0 HE2 MET A 69 13.880 -17.627 -4.206 1.00 52.44 H new ATOM 0 HE3 MET A 69 12.412 -16.717 -3.780 1.00 52.44 H new ATOM 1096 N VAL A 70 13.888 -15.885 -8.809 1.00 1.23 N ATOM 1097 CA VAL A 70 14.773 -16.944 -9.277 1.00 62.52 C ATOM 1098 C VAL A 70 15.557 -17.557 -8.122 1.00 35.14 C ATOM 1099 O VAL A 70 16.336 -16.875 -7.455 1.00 32.03 O ATOM 1100 CB VAL A 70 15.764 -16.422 -10.335 1.00 13.04 C ATOM 1101 CG1 VAL A 70 15.057 -16.193 -11.662 1.00 14.44 C ATOM 1102 CG2 VAL A 70 16.434 -15.145 -9.851 1.00 25.22 C ATOM 0 H VAL A 70 14.354 -15.152 -8.274 1.00 1.23 H new ATOM 0 HA VAL A 70 14.140 -17.708 -9.728 1.00 62.52 H new ATOM 0 HB VAL A 70 16.536 -17.176 -10.488 1.00 13.04 H new ATOM 0 HG11 VAL A 70 15.773 -15.824 -12.397 1.00 14.44 H new ATOM 0 HG12 VAL A 70 14.628 -17.132 -12.012 1.00 14.44 H new ATOM 0 HG13 VAL A 70 14.263 -15.458 -11.529 1.00 14.44 H new ATOM 0 HG21 VAL A 70 17.131 -14.790 -10.610 1.00 25.22 H new ATOM 0 HG22 VAL A 70 15.676 -14.383 -9.669 1.00 25.22 H new ATOM 0 HG23 VAL A 70 16.976 -15.346 -8.927 1.00 25.22 H new ATOM 1112 N LEU A 71 15.345 -18.848 -7.890 1.00 5.12 N ATOM 1113 CA LEU A 71 16.033 -19.554 -6.814 1.00 74.52 C ATOM 1114 C LEU A 71 16.969 -20.620 -7.374 1.00 61.41 C ATOM 1115 O LEU A 71 16.621 -21.335 -8.314 1.00 52.11 O ATOM 1116 CB LEU A 71 15.016 -20.198 -5.869 1.00 43.31 C ATOM 1117 CG LEU A 71 14.085 -21.238 -6.492 1.00 62.43 C ATOM 1118 CD1 LEU A 71 14.690 -22.629 -6.382 1.00 72.53 C ATOM 1119 CD2 LEU A 71 12.717 -21.196 -5.828 1.00 52.51 C ATOM 0 H LEU A 71 14.703 -19.427 -8.432 1.00 5.12 H new ATOM 0 HA LEU A 71 16.628 -18.829 -6.259 1.00 74.52 H new ATOM 0 HB2 LEU A 71 15.559 -20.670 -5.050 1.00 43.31 H new ATOM 0 HB3 LEU A 71 14.405 -19.408 -5.432 1.00 43.31 H new ATOM 0 HG LEU A 71 13.961 -21.000 -7.548 1.00 62.43 H new ATOM 0 HD11 LEU A 71 14.014 -23.357 -6.831 1.00 72.53 H new ATOM 0 HD12 LEU A 71 15.646 -22.652 -6.905 1.00 72.53 H new ATOM 0 HD13 LEU A 71 14.844 -22.877 -5.332 1.00 72.53 H new ATOM 0 HD21 LEU A 71 12.068 -21.943 -6.285 1.00 52.51 H new ATOM 0 HD22 LEU A 71 12.822 -21.408 -4.764 1.00 52.51 H new ATOM 0 HD23 LEU A 71 12.279 -20.206 -5.959 1.00 52.51 H new ATOM 1131 N ARG A 72 18.158 -20.723 -6.789 1.00 11.32 N ATOM 1132 CA ARG A 72 19.144 -21.702 -7.229 1.00 22.25 C ATOM 1133 C ARG A 72 19.723 -22.463 -6.039 1.00 0.40 C ATOM 1134 O ARG A 72 19.801 -21.934 -4.929 1.00 35.41 O ATOM 1135 CB ARG A 72 20.269 -21.013 -8.003 1.00 10.41 C ATOM 1136 CG ARG A 72 19.894 -20.654 -9.431 1.00 52.34 C ATOM 1137 CD ARG A 72 20.163 -21.807 -10.385 1.00 21.43 C ATOM 1138 NE ARG A 72 19.094 -22.802 -10.356 1.00 22.11 N ATOM 1139 CZ ARG A 72 19.240 -24.050 -10.788 1.00 54.21 C ATOM 1140 NH1 ARG A 72 20.403 -24.453 -11.279 1.00 60.44 N ATOM 1141 NH2 ARG A 72 18.220 -24.897 -10.729 1.00 12.30 N ATOM 0 H ARG A 72 18.462 -20.140 -6.009 1.00 11.32 H new ATOM 0 HA ARG A 72 18.644 -22.414 -7.886 1.00 22.25 H new ATOM 0 HB2 ARG A 72 20.560 -20.106 -7.474 1.00 10.41 H new ATOM 0 HB3 ARG A 72 21.141 -21.667 -8.019 1.00 10.41 H new ATOM 0 HG2 ARG A 72 18.839 -20.383 -9.474 1.00 52.34 H new ATOM 0 HG3 ARG A 72 20.461 -19.779 -9.748 1.00 52.34 H new ATOM 0 HD2 ARG A 72 20.272 -21.421 -11.399 1.00 21.43 H new ATOM 0 HD3 ARG A 72 21.108 -22.282 -10.122 1.00 21.43 H new ATOM 0 HE ARG A 72 18.186 -22.524 -9.984 1.00 22.11 H new ATOM 0 HH11 ARG A 72 21.189 -23.805 -11.326 1.00 60.44 H new ATOM 0 HH12 ARG A 72 20.512 -25.412 -11.610 1.00 60.44 H new ATOM 0 HH21 ARG A 72 17.323 -24.590 -10.352 1.00 12.30 H new ATOM 0 HH22 ARG A 72 18.333 -25.855 -11.061 1.00 12.30 H new ATOM 1155 N LEU A 73 20.128 -23.705 -6.278 1.00 74.10 N ATOM 1156 CA LEU A 73 20.699 -24.539 -5.227 1.00 23.34 C ATOM 1157 C LEU A 73 21.835 -23.813 -4.512 1.00 72.24 C ATOM 1158 O LEU A 73 22.340 -22.801 -4.998 1.00 14.43 O ATOM 1159 CB LEU A 73 21.210 -25.856 -5.814 1.00 44.12 C ATOM 1160 CG LEU A 73 22.215 -25.734 -6.961 1.00 34.12 C ATOM 1161 CD1 LEU A 73 23.633 -25.638 -6.420 1.00 52.53 C ATOM 1162 CD2 LEU A 73 22.084 -26.915 -7.912 1.00 54.30 C ATOM 0 H LEU A 73 20.072 -24.157 -7.191 1.00 74.10 H new ATOM 0 HA LEU A 73 19.915 -24.752 -4.501 1.00 23.34 H new ATOM 0 HB2 LEU A 73 21.672 -26.433 -5.013 1.00 44.12 H new ATOM 0 HB3 LEU A 73 20.353 -26.430 -6.167 1.00 44.12 H new ATOM 0 HG LEU A 73 21.997 -24.821 -7.515 1.00 34.12 H new ATOM 0 HD11 LEU A 73 24.334 -25.552 -7.250 1.00 52.53 H new ATOM 0 HD12 LEU A 73 23.719 -24.760 -5.779 1.00 52.53 H new ATOM 0 HD13 LEU A 73 23.863 -26.533 -5.842 1.00 52.53 H new ATOM 0 HD21 LEU A 73 22.806 -26.812 -8.722 1.00 54.30 H new ATOM 0 HD22 LEU A 73 22.276 -27.841 -7.370 1.00 54.30 H new ATOM 0 HD23 LEU A 73 21.076 -26.939 -8.326 1.00 54.30 H new ATOM 1174 N ARG A 74 22.233 -24.339 -3.358 1.00 50.35 N ATOM 1175 CA ARG A 74 23.310 -23.741 -2.578 1.00 33.20 C ATOM 1176 C ARG A 74 24.671 -24.095 -3.170 1.00 0.23 C ATOM 1177 O ARG A 74 24.833 -25.138 -3.802 1.00 14.04 O ATOM 1178 CB ARG A 74 23.236 -24.211 -1.124 1.00 70.31 C ATOM 1179 CG ARG A 74 23.455 -25.706 -0.955 1.00 45.23 C ATOM 1180 CD ARG A 74 23.249 -26.140 0.487 1.00 1.34 C ATOM 1181 NE ARG A 74 21.845 -26.416 0.780 1.00 23.24 N ATOM 1182 CZ ARG A 74 21.441 -27.161 1.803 1.00 10.14 C ATOM 1183 NH1 ARG A 74 22.329 -27.700 2.627 1.00 61.20 N ATOM 1184 NH2 ARG A 74 20.146 -27.367 2.004 1.00 14.15 N ATOM 0 H ARG A 74 21.826 -25.177 -2.943 1.00 50.35 H new ATOM 0 HA ARG A 74 23.190 -22.658 -2.609 1.00 33.20 H new ATOM 0 HB2 ARG A 74 23.983 -23.675 -0.539 1.00 70.31 H new ATOM 0 HB3 ARG A 74 22.261 -23.947 -0.715 1.00 70.31 H new ATOM 0 HG2 ARG A 74 22.767 -26.251 -1.602 1.00 45.23 H new ATOM 0 HG3 ARG A 74 24.465 -25.965 -1.273 1.00 45.23 H new ATOM 0 HD2 ARG A 74 23.843 -27.032 0.685 1.00 1.34 H new ATOM 0 HD3 ARG A 74 23.612 -25.360 1.156 1.00 1.34 H new ATOM 0 HE ARG A 74 21.136 -26.015 0.166 1.00 23.24 H new ATOM 0 HH11 ARG A 74 23.326 -27.543 2.476 1.00 61.20 H new ATOM 0 HH12 ARG A 74 22.016 -28.272 3.412 1.00 61.20 H new ATOM 0 HH21 ARG A 74 19.460 -26.953 1.373 1.00 14.15 H new ATOM 0 HH22 ARG A 74 19.837 -27.939 2.790 1.00 14.15 H new ATOM 1198 N GLY A 75 25.648 -23.217 -2.960 1.00 72.33 N ATOM 1199 CA GLY A 75 26.982 -23.454 -3.480 1.00 20.53 C ATOM 1200 C GLY A 75 27.891 -24.115 -2.463 1.00 22.23 C ATOM 1201 O GLY A 75 28.387 -25.219 -2.687 1.00 14.31 O ATOM 0 H GLY A 75 25.539 -22.347 -2.439 1.00 72.33 H new ATOM 0 HA2 GLY A 75 26.916 -24.083 -4.367 1.00 20.53 H new ATOM 0 HA3 GLY A 75 27.420 -22.506 -3.793 1.00 20.53 H new ATOM 1205 N GLY A 76 28.113 -23.437 -1.340 1.00 72.44 N ATOM 1206 CA GLY A 76 28.970 -23.980 -0.303 1.00 31.42 C ATOM 1207 C GLY A 76 28.383 -25.219 0.344 1.00 24.42 C ATOM 1208 O GLY A 76 29.084 -26.210 0.553 1.00 43.51 O ATOM 0 H GLY A 76 27.714 -22.522 -1.131 1.00 72.44 H new ATOM 0 HA2 GLY A 76 29.943 -24.223 -0.730 1.00 31.42 H new ATOM 0 HA3 GLY A 76 29.138 -23.220 0.460 1.00 31.42 H new TER 1212 GLY A 76