USER MOD reduce.3.24.130724 H: found=0, std=0, add=511, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 510 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -97:sc= 0.0555 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ -160:sc= -0.0551 (180deg=-0.536) USER MOD Single : A 8 ASN : amide:sc= -0.298 X(o=-0.3,f=-0.41) USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 11 HIS : no HD1:sc= -1.08 X(o=-1.1,f=-1.5) USER MOD Single : A 18 ASN : amide:sc= -0.589 K(o=-0.59,f=-0.026) USER MOD Single : A 19 SER OG : rot -72:sc= 0.457 USER MOD Single : A 24 LYS NZ :NH3+ 135:sc= -0.683 (180deg=-2.08) USER MOD Single : A 28 ASN : amide:sc= -1.43 K(o=-1.4,f=-0.22) USER MOD Single : A 33 LYS NZ :NH3+ -173:sc= -1.58 (180deg=-1.86) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0.0308 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 153:sc= -0.097 (180deg=-0.513) USER MOD Single : A 42 ASN : amide:sc= -0.282 K(o=-0.28,f=-1.5) USER MOD Single : A 45 ASN : amide:sc= -0.0326 K(o=-0.033,f=-1.8!) USER MOD Single : A 46 ASN : amide:sc= -0.0277 K(o=-0.028,f=-1.6!) USER MOD Single : A 48 LYS NZ :NH3+ 135:sc= -0.124 (180deg=-0.847) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ -125:sc= -2.02 (180deg=-4.62!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 21.716 15.513 -20.449 1.00 21.30 N ATOM 2 CA MET A 1 22.645 15.419 -19.287 1.00 21.02 C ATOM 3 C MET A 1 23.877 16.290 -19.555 1.00 20.37 C ATOM 4 O MET A 1 24.222 16.559 -20.688 1.00 20.39 O ATOM 5 CB MET A 1 23.067 13.959 -19.094 1.00 21.44 C ATOM 6 CG MET A 1 23.974 13.838 -17.867 1.00 21.88 C ATOM 7 SD MET A 1 24.411 12.095 -17.608 1.00 22.37 S ATOM 8 CE MET A 1 23.719 11.894 -15.945 1.00 22.77 C ATOM 0 H1 MET A 1 20.979 16.218 -20.248 1.00 21.30 H new ATOM 0 H2 MET A 1 22.247 15.799 -21.296 1.00 21.30 H new ATOM 0 H3 MET A 1 21.273 14.587 -20.615 1.00 21.30 H new ATOM 0 HA MET A 1 22.147 15.770 -18.383 1.00 21.02 H new ATOM 0 HB2 MET A 1 22.186 13.330 -18.969 1.00 21.44 H new ATOM 0 HB3 MET A 1 23.591 13.602 -19.981 1.00 21.44 H new ATOM 0 HG2 MET A 1 24.876 14.433 -18.008 1.00 21.88 H new ATOM 0 HG3 MET A 1 23.467 14.232 -16.986 1.00 21.88 H new ATOM 0 HE1 MET A 1 23.888 10.873 -15.602 1.00 22.77 H new ATOM 0 HE2 MET A 1 24.204 12.591 -15.262 1.00 22.77 H new ATOM 0 HE3 MET A 1 22.648 12.096 -15.970 1.00 22.77 H new ATOM 20 N LYS A 2 24.536 16.739 -18.520 1.00 19.90 N ATOM 21 CA LYS A 2 25.738 17.599 -18.716 1.00 19.38 C ATOM 22 C LYS A 2 26.794 16.832 -19.518 1.00 18.83 C ATOM 23 O LYS A 2 27.448 17.381 -20.382 1.00 18.89 O ATOM 24 CB LYS A 2 26.311 17.983 -17.346 1.00 19.49 C ATOM 25 CG LYS A 2 27.523 18.904 -17.524 1.00 19.58 C ATOM 26 CD LYS A 2 28.085 19.279 -16.150 1.00 19.81 C ATOM 27 CE LYS A 2 29.292 20.204 -16.323 1.00 19.99 C ATOM 28 NZ LYS A 2 30.374 19.484 -17.051 1.00 20.19 N ATOM 0 H LYS A 2 24.294 16.547 -17.548 1.00 19.90 H new ATOM 0 HA LYS A 2 25.458 18.500 -19.262 1.00 19.38 H new ATOM 0 HB2 LYS A 2 25.548 18.484 -16.751 1.00 19.49 H new ATOM 0 HB3 LYS A 2 26.603 17.086 -16.800 1.00 19.49 H new ATOM 0 HG2 LYS A 2 28.289 18.405 -18.118 1.00 19.58 H new ATOM 0 HG3 LYS A 2 27.233 19.803 -18.068 1.00 19.58 H new ATOM 0 HD2 LYS A 2 27.317 19.774 -15.555 1.00 19.81 H new ATOM 0 HD3 LYS A 2 28.378 18.380 -15.608 1.00 19.81 H new ATOM 0 HE2 LYS A 2 29.001 21.098 -16.875 1.00 19.99 H new ATOM 0 HE3 LYS A 2 29.653 20.534 -15.349 1.00 19.99 H new ATOM 0 HZ1 LYS A 2 31.283 19.958 -16.879 1.00 20.19 H new ATOM 0 HZ2 LYS A 2 30.426 18.502 -16.713 1.00 20.19 H new ATOM 0 HZ3 LYS A 2 30.169 19.489 -18.071 1.00 20.19 H new ATOM 42 N ALA A 3 26.966 15.569 -19.239 1.00 18.43 N ATOM 43 CA ALA A 3 27.981 14.772 -19.987 1.00 18.03 C ATOM 44 C ALA A 3 27.650 13.281 -19.873 1.00 17.59 C ATOM 45 O ALA A 3 26.937 12.860 -18.985 1.00 17.73 O ATOM 46 CB ALA A 3 29.368 15.032 -19.391 1.00 18.23 C ATOM 0 H ALA A 3 26.449 15.054 -18.526 1.00 18.43 H new ATOM 0 HA ALA A 3 27.971 15.065 -21.037 1.00 18.03 H new ATOM 0 HB1 ALA A 3 30.113 14.451 -19.935 1.00 18.23 H new ATOM 0 HB2 ALA A 3 29.606 16.093 -19.471 1.00 18.23 H new ATOM 0 HB3 ALA A 3 29.374 14.737 -18.342 1.00 18.23 H new ATOM 52 N ILE A 4 28.169 12.479 -20.764 1.00 17.22 N ATOM 53 CA ILE A 4 27.889 11.015 -20.702 1.00 16.95 C ATOM 54 C ILE A 4 28.391 10.463 -19.365 1.00 16.44 C ATOM 55 O ILE A 4 27.731 9.671 -18.722 1.00 16.48 O ATOM 56 CB ILE A 4 28.616 10.306 -21.851 1.00 17.23 C ATOM 57 CG1 ILE A 4 28.132 10.852 -23.209 1.00 17.55 C ATOM 58 CG2 ILE A 4 28.354 8.801 -21.775 1.00 17.35 C ATOM 59 CD1 ILE A 4 26.604 10.747 -23.334 1.00 17.72 C ATOM 0 H ILE A 4 28.774 12.774 -21.531 1.00 17.22 H new ATOM 0 HA ILE A 4 26.816 10.843 -20.791 1.00 16.95 H new ATOM 0 HB ILE A 4 29.686 10.493 -21.760 1.00 17.23 H new ATOM 0 HG12 ILE A 4 28.438 11.893 -23.316 1.00 17.55 H new ATOM 0 HG13 ILE A 4 28.605 10.296 -24.018 1.00 17.55 H new ATOM 0 HG21 ILE A 4 28.872 8.300 -22.593 1.00 17.35 H new ATOM 0 HG22 ILE A 4 28.720 8.416 -20.823 1.00 17.35 H new ATOM 0 HG23 ILE A 4 27.283 8.614 -21.855 1.00 17.35 H new ATOM 0 HD11 ILE A 4 26.290 11.139 -24.301 1.00 17.72 H new ATOM 0 HD12 ILE A 4 26.303 9.703 -23.251 1.00 17.72 H new ATOM 0 HD13 ILE A 4 26.133 11.325 -22.538 1.00 17.72 H new ATOM 71 N PHE A 5 29.554 10.879 -18.941 1.00 16.11 N ATOM 72 CA PHE A 5 30.098 10.383 -17.644 1.00 15.78 C ATOM 73 C PHE A 5 29.173 10.832 -16.510 1.00 15.39 C ATOM 74 O PHE A 5 28.668 11.937 -16.515 1.00 15.53 O ATOM 75 CB PHE A 5 31.499 10.963 -17.433 1.00 15.91 C ATOM 76 CG PHE A 5 32.066 10.469 -16.123 1.00 16.27 C ATOM 77 CD1 PHE A 5 31.848 11.193 -14.945 1.00 16.55 C ATOM 78 CD2 PHE A 5 32.815 9.285 -16.088 1.00 16.49 C ATOM 79 CE1 PHE A 5 32.378 10.734 -13.732 1.00 17.03 C ATOM 80 CE2 PHE A 5 33.344 8.826 -14.876 1.00 16.98 C ATOM 81 CZ PHE A 5 33.125 9.550 -13.698 1.00 17.24 C ATOM 0 H PHE A 5 30.151 11.541 -19.437 1.00 16.11 H new ATOM 0 HA PHE A 5 30.156 9.295 -17.654 1.00 15.78 H new ATOM 0 HB2 PHE A 5 32.151 10.670 -18.256 1.00 15.91 H new ATOM 0 HB3 PHE A 5 31.455 12.052 -17.433 1.00 15.91 H new ATOM 0 HD1 PHE A 5 31.271 12.106 -14.971 1.00 16.55 H new ATOM 0 HD2 PHE A 5 32.984 8.726 -16.997 1.00 16.49 H new ATOM 0 HE1 PHE A 5 32.210 11.293 -12.823 1.00 17.03 H new ATOM 0 HE2 PHE A 5 33.921 7.913 -14.850 1.00 16.98 H new ATOM 0 HZ PHE A 5 33.532 9.195 -12.763 1.00 17.24 H new ATOM 91 N VAL A 6 28.936 9.983 -15.541 1.00 15.04 N ATOM 92 CA VAL A 6 28.030 10.359 -14.410 1.00 14.79 C ATOM 93 C VAL A 6 28.866 10.805 -13.207 1.00 14.55 C ATOM 94 O VAL A 6 29.633 10.044 -12.653 1.00 14.58 O ATOM 95 CB VAL A 6 27.187 9.143 -14.015 1.00 14.86 C ATOM 96 CG1 VAL A 6 26.191 9.543 -12.925 1.00 15.09 C ATOM 97 CG2 VAL A 6 26.424 8.632 -15.239 1.00 15.03 C ATOM 0 H VAL A 6 29.331 9.044 -15.484 1.00 15.04 H new ATOM 0 HA VAL A 6 27.379 11.176 -14.722 1.00 14.79 H new ATOM 0 HB VAL A 6 27.841 8.356 -13.638 1.00 14.86 H new ATOM 0 HG11 VAL A 6 25.591 8.677 -12.644 1.00 15.09 H new ATOM 0 HG12 VAL A 6 26.733 9.907 -12.052 1.00 15.09 H new ATOM 0 HG13 VAL A 6 25.538 10.330 -13.300 1.00 15.09 H new ATOM 0 HG21 VAL A 6 25.824 7.766 -14.958 1.00 15.03 H new ATOM 0 HG22 VAL A 6 25.771 9.419 -15.616 1.00 15.03 H new ATOM 0 HG23 VAL A 6 27.133 8.346 -16.016 1.00 15.03 H new ATOM 107 N LEU A 7 28.713 12.037 -12.793 1.00 14.47 N ATOM 108 CA LEU A 7 29.487 12.545 -11.618 1.00 14.40 C ATOM 109 C LEU A 7 28.630 12.374 -10.357 1.00 13.90 C ATOM 110 O LEU A 7 29.114 11.990 -9.311 1.00 13.91 O ATOM 111 CB LEU A 7 29.843 14.038 -11.822 1.00 14.97 C ATOM 112 CG LEU A 7 28.810 14.723 -12.752 1.00 15.35 C ATOM 113 CD1 LEU A 7 28.700 16.212 -12.401 1.00 15.68 C ATOM 114 CD2 LEU A 7 29.253 14.598 -14.219 1.00 15.83 C ATOM 0 H LEU A 7 28.083 12.716 -13.219 1.00 14.47 H new ATOM 0 HA LEU A 7 30.415 11.982 -11.514 1.00 14.40 H new ATOM 0 HB2 LEU A 7 29.866 14.547 -10.858 1.00 14.97 H new ATOM 0 HB3 LEU A 7 30.841 14.124 -12.252 1.00 14.97 H new ATOM 0 HG LEU A 7 27.845 14.234 -12.615 1.00 15.35 H new ATOM 0 HD11 LEU A 7 27.972 16.688 -13.058 1.00 15.68 H new ATOM 0 HD12 LEU A 7 28.378 16.319 -11.365 1.00 15.68 H new ATOM 0 HD13 LEU A 7 29.672 16.689 -12.530 1.00 15.68 H new ATOM 0 HD21 LEU A 7 28.519 15.083 -14.863 1.00 15.83 H new ATOM 0 HD22 LEU A 7 30.223 15.078 -14.348 1.00 15.83 H new ATOM 0 HD23 LEU A 7 29.331 13.544 -14.487 1.00 15.83 H new ATOM 126 N ASN A 8 27.357 12.651 -10.456 1.00 13.63 N ATOM 127 CA ASN A 8 26.459 12.500 -9.274 1.00 13.29 C ATOM 128 C ASN A 8 25.036 12.216 -9.758 1.00 12.82 C ATOM 129 O ASN A 8 24.679 12.526 -10.877 1.00 12.84 O ATOM 130 CB ASN A 8 26.461 13.791 -8.452 1.00 13.45 C ATOM 131 CG ASN A 8 25.745 13.545 -7.121 1.00 13.72 C ATOM 132 OD1 ASN A 8 26.128 12.674 -6.365 1.00 13.79 O ATOM 133 ND2 ASN A 8 24.715 14.280 -6.799 1.00 14.06 N ATOM 0 H ASN A 8 26.899 12.976 -11.307 1.00 13.63 H new ATOM 0 HA ASN A 8 26.814 11.677 -8.654 1.00 13.29 H new ATOM 0 HB2 ASN A 8 27.485 14.119 -8.272 1.00 13.45 H new ATOM 0 HB3 ASN A 8 25.963 14.588 -9.004 1.00 13.45 H new ATOM 0 HD21 ASN A 8 24.233 14.123 -5.914 1.00 14.06 H new ATOM 0 HD22 ASN A 8 24.392 15.011 -7.433 1.00 14.06 H new ATOM 140 N ALA A 9 24.221 11.632 -8.924 1.00 12.57 N ATOM 141 CA ALA A 9 22.821 11.332 -9.337 1.00 12.28 C ATOM 142 C ALA A 9 22.033 12.639 -9.452 1.00 11.84 C ATOM 143 O ALA A 9 22.266 13.580 -8.720 1.00 12.04 O ATOM 144 CB ALA A 9 22.163 10.433 -8.289 1.00 12.50 C ATOM 0 H ALA A 9 24.464 11.349 -7.974 1.00 12.57 H new ATOM 0 HA ALA A 9 22.827 10.824 -10.301 1.00 12.28 H new ATOM 0 HB1 ALA A 9 21.139 10.213 -8.590 1.00 12.50 H new ATOM 0 HB2 ALA A 9 22.724 9.502 -8.204 1.00 12.50 H new ATOM 0 HB3 ALA A 9 22.156 10.942 -7.325 1.00 12.50 H new ATOM 150 N GLN A 10 21.101 12.707 -10.365 1.00 11.42 N ATOM 151 CA GLN A 10 20.302 13.955 -10.519 1.00 11.16 C ATOM 152 C GLN A 10 19.568 14.245 -9.206 1.00 10.55 C ATOM 153 O GLN A 10 19.487 15.373 -8.764 1.00 10.61 O ATOM 154 CB GLN A 10 19.288 13.770 -11.654 1.00 11.48 C ATOM 155 CG GLN A 10 18.476 15.055 -11.841 1.00 11.97 C ATOM 156 CD GLN A 10 17.467 14.859 -12.976 1.00 12.47 C ATOM 157 OE1 GLN A 10 16.761 13.871 -13.013 1.00 12.70 O ATOM 158 NE2 GLN A 10 17.371 15.766 -13.908 1.00 12.83 N ATOM 0 H GLN A 10 20.860 11.954 -11.009 1.00 11.42 H new ATOM 0 HA GLN A 10 20.959 14.791 -10.758 1.00 11.16 H new ATOM 0 HB2 GLN A 10 19.806 13.519 -12.579 1.00 11.48 H new ATOM 0 HB3 GLN A 10 18.622 12.938 -11.426 1.00 11.48 H new ATOM 0 HG2 GLN A 10 17.956 15.307 -10.917 1.00 11.97 H new ATOM 0 HG3 GLN A 10 19.141 15.888 -12.070 1.00 11.97 H new ATOM 0 HE21 GLN A 10 17.964 16.595 -13.876 1.00 12.83 H new ATOM 0 HE22 GLN A 10 16.703 15.646 -14.669 1.00 12.83 H new ATOM 167 N HIS A 11 19.040 13.226 -8.577 1.00 10.17 N ATOM 168 CA HIS A 11 18.312 13.418 -7.283 1.00 9.77 C ATOM 169 C HIS A 11 18.659 12.267 -6.338 1.00 9.16 C ATOM 170 O HIS A 11 19.250 11.283 -6.737 1.00 9.25 O ATOM 171 CB HIS A 11 16.801 13.433 -7.532 1.00 10.00 C ATOM 172 CG HIS A 11 16.410 14.712 -8.221 1.00 10.27 C ATOM 173 ND1 HIS A 11 15.971 14.742 -9.535 1.00 10.64 N ATOM 174 CD2 HIS A 11 16.381 16.014 -7.786 1.00 10.49 C ATOM 175 CE1 HIS A 11 15.698 16.024 -9.842 1.00 11.05 C ATOM 176 NE2 HIS A 11 15.930 16.841 -8.811 1.00 10.99 N ATOM 0 H HIS A 11 19.082 12.261 -8.906 1.00 10.17 H new ATOM 0 HA HIS A 11 18.610 14.367 -6.837 1.00 9.77 H new ATOM 0 HB2 HIS A 11 16.516 12.578 -8.144 1.00 10.00 H new ATOM 0 HB3 HIS A 11 16.267 13.341 -6.587 1.00 10.00 H new ATOM 0 HD2 HIS A 11 16.665 16.346 -6.798 1.00 10.49 H new ATOM 0 HE1 HIS A 11 15.335 16.352 -10.805 1.00 11.05 H new ATOM 0 HE2 HIS A 11 15.804 17.853 -8.781 1.00 10.99 H new ATOM 184 N ASP A 12 18.298 12.379 -5.090 1.00 8.78 N ATOM 185 CA ASP A 12 18.610 11.286 -4.128 1.00 8.41 C ATOM 186 C ASP A 12 17.743 10.067 -4.445 1.00 7.70 C ATOM 187 O ASP A 12 16.766 9.794 -3.776 1.00 7.84 O ATOM 188 CB ASP A 12 18.320 11.766 -2.704 1.00 8.97 C ATOM 189 CG ASP A 12 19.354 12.816 -2.295 1.00 9.57 C ATOM 190 OD1 ASP A 12 20.408 12.853 -2.910 1.00 10.08 O ATOM 191 OD2 ASP A 12 19.076 13.565 -1.373 1.00 9.72 O ATOM 0 H ASP A 12 17.802 13.178 -4.696 1.00 8.78 H new ATOM 0 HA ASP A 12 19.662 11.013 -4.212 1.00 8.41 H new ATOM 0 HB2 ASP A 12 17.317 12.189 -2.649 1.00 8.97 H new ATOM 0 HB3 ASP A 12 18.349 10.924 -2.013 1.00 8.97 H new ATOM 196 N GLU A 13 18.093 9.330 -5.464 1.00 7.20 N ATOM 197 CA GLU A 13 17.291 8.127 -5.830 1.00 6.75 C ATOM 198 C GLU A 13 17.667 6.966 -4.907 1.00 5.96 C ATOM 199 O GLU A 13 18.829 6.680 -4.695 1.00 6.13 O ATOM 200 CB GLU A 13 17.582 7.745 -7.286 1.00 7.22 C ATOM 201 CG GLU A 13 16.736 6.530 -7.686 1.00 7.84 C ATOM 202 CD GLU A 13 17.035 6.158 -9.139 1.00 8.59 C ATOM 203 OE1 GLU A 13 17.702 6.933 -9.804 1.00 8.85 O ATOM 204 OE2 GLU A 13 16.588 5.105 -9.564 1.00 9.12 O ATOM 0 H GLU A 13 18.901 9.509 -6.060 1.00 7.20 H new ATOM 0 HA GLU A 13 16.229 8.347 -5.720 1.00 6.75 H new ATOM 0 HB2 GLU A 13 17.360 8.586 -7.943 1.00 7.22 H new ATOM 0 HB3 GLU A 13 18.641 7.517 -7.407 1.00 7.22 H new ATOM 0 HG2 GLU A 13 16.957 5.688 -7.031 1.00 7.84 H new ATOM 0 HG3 GLU A 13 15.676 6.756 -7.568 1.00 7.84 H new ATOM 211 N ALA A 14 16.693 6.296 -4.355 1.00 5.44 N ATOM 212 CA ALA A 14 16.990 5.154 -3.445 1.00 4.96 C ATOM 213 C ALA A 14 15.781 4.217 -3.395 1.00 4.30 C ATOM 214 O ALA A 14 15.257 3.810 -4.413 1.00 4.43 O ATOM 215 CB ALA A 14 17.286 5.684 -2.041 1.00 5.39 C ATOM 0 H ALA A 14 15.702 6.491 -4.495 1.00 5.44 H new ATOM 0 HA ALA A 14 17.858 4.608 -3.816 1.00 4.96 H new ATOM 0 HB1 ALA A 14 17.503 4.849 -1.375 1.00 5.39 H new ATOM 0 HB2 ALA A 14 18.147 6.352 -2.078 1.00 5.39 H new ATOM 0 HB3 ALA A 14 16.419 6.230 -1.668 1.00 5.39 H new ATOM 221 N VAL A 15 15.332 3.867 -2.220 1.00 4.01 N ATOM 222 CA VAL A 15 14.159 2.957 -2.115 1.00 3.71 C ATOM 223 C VAL A 15 12.898 3.705 -2.551 1.00 3.13 C ATOM 224 O VAL A 15 12.646 4.816 -2.128 1.00 3.40 O ATOM 225 CB VAL A 15 14.005 2.485 -0.668 1.00 4.37 C ATOM 226 CG1 VAL A 15 12.723 1.662 -0.532 1.00 5.04 C ATOM 227 CG2 VAL A 15 15.208 1.618 -0.288 1.00 4.89 C ATOM 0 H VAL A 15 15.727 4.172 -1.330 1.00 4.01 H new ATOM 0 HA VAL A 15 14.309 2.091 -2.760 1.00 3.71 H new ATOM 0 HB VAL A 15 13.952 3.350 -0.007 1.00 4.37 H new ATOM 0 HG11 VAL A 15 12.614 1.326 0.499 1.00 5.04 H new ATOM 0 HG12 VAL A 15 11.865 2.276 -0.806 1.00 5.04 H new ATOM 0 HG13 VAL A 15 12.775 0.796 -1.192 1.00 5.04 H new ATOM 0 HG21 VAL A 15 15.102 1.280 0.743 1.00 4.89 H new ATOM 0 HG22 VAL A 15 15.257 0.754 -0.950 1.00 4.89 H new ATOM 0 HG23 VAL A 15 16.123 2.202 -0.386 1.00 4.89 H new ATOM 237 N ASP A 16 12.107 3.107 -3.400 1.00 2.67 N ATOM 238 CA ASP A 16 10.866 3.787 -3.871 1.00 2.25 C ATOM 239 C ASP A 16 9.751 3.592 -2.845 1.00 2.00 C ATOM 240 O ASP A 16 8.856 2.789 -3.026 1.00 2.47 O ATOM 241 CB ASP A 16 10.435 3.184 -5.210 1.00 2.31 C ATOM 242 CG ASP A 16 11.429 3.596 -6.297 1.00 2.96 C ATOM 243 OD1 ASP A 16 12.135 4.569 -6.089 1.00 3.45 O ATOM 244 OD2 ASP A 16 11.468 2.932 -7.319 1.00 3.42 O ATOM 0 H ASP A 16 12.266 2.177 -3.788 1.00 2.67 H new ATOM 0 HA ASP A 16 11.061 4.852 -3.994 1.00 2.25 H new ATOM 0 HB2 ASP A 16 10.391 2.097 -5.135 1.00 2.31 H new ATOM 0 HB3 ASP A 16 9.433 3.526 -5.470 1.00 2.31 H new ATOM 249 N ALA A 17 9.794 4.325 -1.768 1.00 1.74 N ATOM 250 CA ALA A 17 8.736 4.195 -0.730 1.00 1.64 C ATOM 251 C ALA A 17 7.430 4.787 -1.264 1.00 1.34 C ATOM 252 O ALA A 17 6.356 4.488 -0.781 1.00 1.86 O ATOM 253 CB ALA A 17 9.168 4.946 0.532 1.00 2.03 C ATOM 0 H ALA A 17 10.520 5.011 -1.562 1.00 1.74 H new ATOM 0 HA ALA A 17 8.584 3.143 -0.488 1.00 1.64 H new ATOM 0 HB1 ALA A 17 8.394 4.852 1.294 1.00 2.03 H new ATOM 0 HB2 ALA A 17 10.100 4.522 0.907 1.00 2.03 H new ATOM 0 HB3 ALA A 17 9.318 5.999 0.295 1.00 2.03 H new ATOM 259 N ASN A 18 7.520 5.632 -2.253 1.00 0.95 N ATOM 260 CA ASN A 18 6.291 6.255 -2.822 1.00 0.77 C ATOM 261 C ASN A 18 5.358 5.169 -3.364 1.00 0.65 C ATOM 262 O ASN A 18 4.155 5.245 -3.214 1.00 1.18 O ATOM 263 CB ASN A 18 6.682 7.204 -3.955 1.00 0.93 C ATOM 264 CG ASN A 18 7.391 8.425 -3.368 1.00 1.47 C ATOM 265 OD1 ASN A 18 8.421 8.841 -3.863 1.00 2.24 O ATOM 266 ND2 ASN A 18 6.882 9.021 -2.325 1.00 1.85 N ATOM 0 H ASN A 18 8.394 5.919 -2.693 1.00 0.95 H new ATOM 0 HA ASN A 18 5.775 6.811 -2.039 1.00 0.77 H new ATOM 0 HB2 ASN A 18 7.336 6.694 -4.663 1.00 0.93 H new ATOM 0 HB3 ASN A 18 5.795 7.515 -4.507 1.00 0.93 H new ATOM 0 HD21 ASN A 18 7.348 9.836 -1.925 1.00 1.85 H new ATOM 0 HD22 ASN A 18 6.018 8.672 -1.909 1.00 1.85 H new ATOM 273 N SER A 19 5.896 4.162 -3.998 1.00 0.49 N ATOM 274 CA SER A 19 5.021 3.087 -4.545 1.00 0.33 C ATOM 275 C SER A 19 4.239 2.439 -3.402 1.00 0.29 C ATOM 276 O SER A 19 3.055 2.191 -3.512 1.00 0.28 O ATOM 277 CB SER A 19 5.880 2.030 -5.243 1.00 0.41 C ATOM 278 OG SER A 19 6.646 1.330 -4.272 1.00 0.80 O ATOM 0 H SER A 19 6.895 4.038 -4.160 1.00 0.49 H new ATOM 0 HA SER A 19 4.325 3.517 -5.265 1.00 0.33 H new ATOM 0 HB2 SER A 19 5.246 1.335 -5.793 1.00 0.41 H new ATOM 0 HB3 SER A 19 6.539 2.503 -5.971 1.00 0.41 H new ATOM 0 HG SER A 19 7.353 1.916 -3.929 1.00 0.80 H new ATOM 284 N LEU A 20 4.885 2.174 -2.300 1.00 0.31 N ATOM 285 CA LEU A 20 4.166 1.556 -1.151 1.00 0.32 C ATOM 286 C LEU A 20 3.033 2.485 -0.712 1.00 0.25 C ATOM 287 O LEU A 20 1.902 2.073 -0.550 1.00 0.23 O ATOM 288 CB LEU A 20 5.146 1.338 0.009 1.00 0.41 C ATOM 289 CG LEU A 20 4.418 0.733 1.220 1.00 0.45 C ATOM 290 CD1 LEU A 20 3.786 -0.617 0.841 1.00 0.99 C ATOM 291 CD2 LEU A 20 5.429 0.527 2.357 1.00 1.09 C ATOM 0 H LEU A 20 5.876 2.358 -2.146 1.00 0.31 H new ATOM 0 HA LEU A 20 3.750 0.594 -1.448 1.00 0.32 H new ATOM 0 HB2 LEU A 20 5.952 0.675 -0.307 1.00 0.41 H new ATOM 0 HB3 LEU A 20 5.605 2.286 0.289 1.00 0.41 H new ATOM 0 HG LEU A 20 3.627 1.411 1.542 1.00 0.45 H new ATOM 0 HD11 LEU A 20 3.274 -1.035 1.708 1.00 0.99 H new ATOM 0 HD12 LEU A 20 3.070 -0.469 0.032 1.00 0.99 H new ATOM 0 HD13 LEU A 20 4.566 -1.305 0.514 1.00 0.99 H new ATOM 0 HD21 LEU A 20 4.922 0.098 3.221 1.00 1.09 H new ATOM 0 HD22 LEU A 20 6.217 -0.150 2.025 1.00 1.09 H new ATOM 0 HD23 LEU A 20 5.867 1.486 2.633 1.00 1.09 H new ATOM 303 N ALA A 21 3.337 3.738 -0.512 1.00 0.24 N ATOM 304 CA ALA A 21 2.295 4.702 -0.077 1.00 0.22 C ATOM 305 C ALA A 21 1.283 4.917 -1.207 1.00 0.18 C ATOM 306 O ALA A 21 0.096 5.030 -0.976 1.00 0.19 O ATOM 307 CB ALA A 21 2.958 6.032 0.287 1.00 0.27 C ATOM 0 H ALA A 21 4.269 4.135 -0.633 1.00 0.24 H new ATOM 0 HA ALA A 21 1.773 4.306 0.794 1.00 0.22 H new ATOM 0 HB1 ALA A 21 2.196 6.743 0.607 1.00 0.27 H new ATOM 0 HB2 ALA A 21 3.670 5.874 1.097 1.00 0.27 H new ATOM 0 HB3 ALA A 21 3.481 6.428 -0.583 1.00 0.27 H new ATOM 313 N GLU A 22 1.744 4.977 -2.428 1.00 0.18 N ATOM 314 CA GLU A 22 0.808 5.187 -3.571 1.00 0.19 C ATOM 315 C GLU A 22 -0.207 4.044 -3.617 1.00 0.18 C ATOM 316 O GLU A 22 -1.375 4.252 -3.877 1.00 0.21 O ATOM 317 CB GLU A 22 1.591 5.224 -4.887 1.00 0.24 C ATOM 318 CG GLU A 22 0.651 5.600 -6.032 1.00 0.50 C ATOM 319 CD GLU A 22 1.451 5.731 -7.331 1.00 0.68 C ATOM 320 OE1 GLU A 22 2.664 5.600 -7.272 1.00 1.27 O ATOM 321 OE2 GLU A 22 0.839 5.957 -8.361 1.00 1.15 O ATOM 0 H GLU A 22 2.728 4.890 -2.683 1.00 0.18 H new ATOM 0 HA GLU A 22 0.287 6.135 -3.436 1.00 0.19 H new ATOM 0 HB2 GLU A 22 2.404 5.947 -4.818 1.00 0.24 H new ATOM 0 HB3 GLU A 22 2.044 4.252 -5.080 1.00 0.24 H new ATOM 0 HG2 GLU A 22 -0.123 4.841 -6.145 1.00 0.50 H new ATOM 0 HG3 GLU A 22 0.146 6.540 -5.808 1.00 0.50 H new ATOM 328 N ALA A 23 0.221 2.833 -3.369 1.00 0.18 N ATOM 329 CA ALA A 23 -0.741 1.696 -3.404 1.00 0.19 C ATOM 330 C ALA A 23 -1.859 1.975 -2.402 1.00 0.15 C ATOM 331 O ALA A 23 -3.019 1.728 -2.662 1.00 0.16 O ATOM 332 CB ALA A 23 -0.022 0.397 -3.026 1.00 0.23 C ATOM 0 H ALA A 23 1.185 2.586 -3.146 1.00 0.18 H new ATOM 0 HA ALA A 23 -1.155 1.590 -4.407 1.00 0.19 H new ATOM 0 HB1 ALA A 23 -0.730 -0.432 -3.053 1.00 0.23 H new ATOM 0 HB2 ALA A 23 0.785 0.208 -3.734 1.00 0.23 H new ATOM 0 HB3 ALA A 23 0.391 0.489 -2.021 1.00 0.23 H new ATOM 338 N LYS A 24 -1.517 2.507 -1.262 1.00 0.15 N ATOM 339 CA LYS A 24 -2.559 2.821 -0.249 1.00 0.18 C ATOM 340 C LYS A 24 -3.451 3.945 -0.789 1.00 0.19 C ATOM 341 O LYS A 24 -4.654 3.932 -0.619 1.00 0.26 O ATOM 342 CB LYS A 24 -1.882 3.267 1.048 1.00 0.22 C ATOM 343 CG LYS A 24 -1.098 2.088 1.633 1.00 0.21 C ATOM 344 CD LYS A 24 -0.413 2.513 2.933 1.00 0.27 C ATOM 345 CE LYS A 24 0.366 1.327 3.506 1.00 0.53 C ATOM 346 NZ LYS A 24 1.427 0.921 2.542 1.00 1.23 N ATOM 0 H LYS A 24 -0.561 2.737 -0.989 1.00 0.15 H new ATOM 0 HA LYS A 24 -3.168 1.939 -0.048 1.00 0.18 H new ATOM 0 HB2 LYS A 24 -1.213 4.105 0.854 1.00 0.22 H new ATOM 0 HB3 LYS A 24 -2.629 3.614 1.762 1.00 0.22 H new ATOM 0 HG2 LYS A 24 -1.770 1.251 1.823 1.00 0.21 H new ATOM 0 HG3 LYS A 24 -0.354 1.743 0.915 1.00 0.21 H new ATOM 0 HD2 LYS A 24 0.261 3.349 2.746 1.00 0.27 H new ATOM 0 HD3 LYS A 24 -1.155 2.857 3.653 1.00 0.27 H new ATOM 0 HE2 LYS A 24 0.813 1.599 4.462 1.00 0.53 H new ATOM 0 HE3 LYS A 24 -0.308 0.492 3.695 1.00 0.53 H new ATOM 0 HZ1 LYS A 24 2.318 0.761 3.054 1.00 1.23 H new ATOM 0 HZ2 LYS A 24 1.142 0.044 2.061 1.00 1.23 H new ATOM 0 HZ3 LYS A 24 1.563 1.674 1.837 1.00 1.23 H new ATOM 360 N VAL A 25 -2.863 4.918 -1.441 1.00 0.19 N ATOM 361 CA VAL A 25 -3.663 6.047 -2.001 1.00 0.23 C ATOM 362 C VAL A 25 -4.591 5.511 -3.099 1.00 0.24 C ATOM 363 O VAL A 25 -5.767 5.816 -3.136 1.00 0.27 O ATOM 364 CB VAL A 25 -2.707 7.100 -2.576 1.00 0.27 C ATOM 365 CG1 VAL A 25 -3.493 8.157 -3.353 1.00 0.34 C ATOM 366 CG2 VAL A 25 -1.954 7.771 -1.426 1.00 0.29 C ATOM 0 H VAL A 25 -1.859 4.977 -1.609 1.00 0.19 H new ATOM 0 HA VAL A 25 -4.269 6.505 -1.219 1.00 0.23 H new ATOM 0 HB VAL A 25 -2.002 6.615 -3.252 1.00 0.27 H new ATOM 0 HG11 VAL A 25 -2.804 8.899 -3.756 1.00 0.34 H new ATOM 0 HG12 VAL A 25 -4.033 7.680 -4.171 1.00 0.34 H new ATOM 0 HG13 VAL A 25 -4.203 8.646 -2.686 1.00 0.34 H new ATOM 0 HG21 VAL A 25 -1.272 8.521 -1.826 1.00 0.29 H new ATOM 0 HG22 VAL A 25 -2.667 8.250 -0.755 1.00 0.29 H new ATOM 0 HG23 VAL A 25 -1.386 7.021 -0.876 1.00 0.29 H new ATOM 376 N LEU A 26 -4.073 4.698 -3.984 1.00 0.22 N ATOM 377 CA LEU A 26 -4.928 4.123 -5.064 1.00 0.25 C ATOM 378 C LEU A 26 -6.028 3.263 -4.432 1.00 0.23 C ATOM 379 O LEU A 26 -7.173 3.303 -4.837 1.00 0.28 O ATOM 380 CB LEU A 26 -4.068 3.253 -5.995 1.00 0.26 C ATOM 381 CG LEU A 26 -3.129 4.119 -6.849 1.00 0.31 C ATOM 382 CD1 LEU A 26 -2.170 3.195 -7.611 1.00 0.73 C ATOM 383 CD2 LEU A 26 -3.939 4.957 -7.860 1.00 0.78 C ATOM 0 H LEU A 26 -3.095 4.408 -4.005 1.00 0.22 H new ATOM 0 HA LEU A 26 -5.379 4.930 -5.641 1.00 0.25 H new ATOM 0 HB2 LEU A 26 -3.482 2.550 -5.403 1.00 0.26 H new ATOM 0 HB3 LEU A 26 -4.713 2.662 -6.644 1.00 0.26 H new ATOM 0 HG LEU A 26 -2.573 4.796 -6.201 1.00 0.31 H new ATOM 0 HD11 LEU A 26 -1.496 3.795 -8.223 1.00 0.73 H new ATOM 0 HD12 LEU A 26 -1.589 2.608 -6.900 1.00 0.73 H new ATOM 0 HD13 LEU A 26 -2.743 2.525 -8.252 1.00 0.73 H new ATOM 0 HD21 LEU A 26 -3.259 5.565 -8.457 1.00 0.78 H new ATOM 0 HD22 LEU A 26 -4.502 4.292 -8.515 1.00 0.78 H new ATOM 0 HD23 LEU A 26 -4.630 5.607 -7.323 1.00 0.78 H new ATOM 395 N ALA A 27 -5.686 2.490 -3.439 1.00 0.18 N ATOM 396 CA ALA A 27 -6.704 1.633 -2.768 1.00 0.18 C ATOM 397 C ALA A 27 -7.662 2.520 -1.969 1.00 0.16 C ATOM 398 O ALA A 27 -8.835 2.230 -1.838 1.00 0.19 O ATOM 399 CB ALA A 27 -6.001 0.651 -1.826 1.00 0.20 C ATOM 0 H ALA A 27 -4.741 2.414 -3.062 1.00 0.18 H new ATOM 0 HA ALA A 27 -7.266 1.074 -3.516 1.00 0.18 H new ATOM 0 HB1 ALA A 27 -6.744 0.023 -1.334 1.00 0.20 H new ATOM 0 HB2 ALA A 27 -5.318 0.024 -2.398 1.00 0.20 H new ATOM 0 HB3 ALA A 27 -5.440 1.206 -1.074 1.00 0.20 H new ATOM 405 N ASN A 28 -7.159 3.594 -1.425 1.00 0.15 N ATOM 406 CA ASN A 28 -8.020 4.509 -0.620 1.00 0.14 C ATOM 407 C ASN A 28 -9.162 5.052 -1.487 1.00 0.15 C ATOM 408 O ASN A 28 -10.305 5.073 -1.077 1.00 0.18 O ATOM 409 CB ASN A 28 -7.171 5.679 -0.115 1.00 0.15 C ATOM 410 CG ASN A 28 -8.034 6.612 0.735 1.00 0.17 C ATOM 411 OD1 ASN A 28 -8.644 7.531 0.224 1.00 0.22 O ATOM 412 ND2 ASN A 28 -8.101 6.420 2.023 1.00 0.22 N ATOM 0 H ASN A 28 -6.183 3.879 -1.504 1.00 0.15 H new ATOM 0 HA ASN A 28 -8.440 3.960 0.223 1.00 0.14 H new ATOM 0 HB2 ASN A 28 -6.333 5.306 0.474 1.00 0.15 H new ATOM 0 HB3 ASN A 28 -6.749 6.226 -0.958 1.00 0.15 H new ATOM 0 HD21 ASN A 28 -8.666 7.041 2.603 1.00 0.22 H new ATOM 0 HD22 ASN A 28 -7.589 5.649 2.451 1.00 0.22 H new ATOM 419 N ARG A 29 -8.863 5.498 -2.679 1.00 0.18 N ATOM 420 CA ARG A 29 -9.936 6.047 -3.556 1.00 0.22 C ATOM 421 C ARG A 29 -10.850 4.911 -4.022 1.00 0.19 C ATOM 422 O ARG A 29 -12.011 5.117 -4.313 1.00 0.21 O ATOM 423 CB ARG A 29 -9.320 6.736 -4.781 1.00 0.31 C ATOM 424 CG ARG A 29 -8.601 8.018 -4.349 1.00 1.18 C ATOM 425 CD ARG A 29 -8.210 8.828 -5.589 1.00 1.46 C ATOM 426 NE ARG A 29 -7.386 7.994 -6.507 1.00 2.22 N ATOM 427 CZ ARG A 29 -7.241 8.354 -7.755 1.00 2.79 C ATOM 428 NH1 ARG A 29 -7.815 9.443 -8.187 1.00 2.95 N ATOM 429 NH2 ARG A 29 -6.525 7.626 -8.568 1.00 3.73 N ATOM 0 H ARG A 29 -7.926 5.505 -3.081 1.00 0.18 H new ATOM 0 HA ARG A 29 -10.514 6.776 -2.989 1.00 0.22 H new ATOM 0 HB2 ARG A 29 -8.618 6.063 -5.274 1.00 0.31 H new ATOM 0 HB3 ARG A 29 -10.098 6.972 -5.507 1.00 0.31 H new ATOM 0 HG2 ARG A 29 -9.249 8.611 -3.704 1.00 1.18 H new ATOM 0 HG3 ARG A 29 -7.712 7.771 -3.768 1.00 1.18 H new ATOM 0 HD2 ARG A 29 -9.106 9.173 -6.105 1.00 1.46 H new ATOM 0 HD3 ARG A 29 -7.651 9.716 -5.292 1.00 1.46 H new ATOM 0 HE ARG A 29 -6.937 7.145 -6.163 1.00 2.22 H new ATOM 0 HH11 ARG A 29 -8.375 10.011 -7.551 1.00 2.95 H new ATOM 0 HH12 ARG A 29 -7.704 9.727 -9.160 1.00 2.95 H new ATOM 0 HH21 ARG A 29 -6.077 6.774 -8.230 1.00 3.73 H new ATOM 0 HH22 ARG A 29 -6.413 7.909 -9.542 1.00 3.73 H new ATOM 443 N GLU A 30 -10.336 3.716 -4.107 1.00 0.21 N ATOM 444 CA GLU A 30 -11.179 2.575 -4.565 1.00 0.28 C ATOM 445 C GLU A 30 -12.368 2.396 -3.617 1.00 0.27 C ATOM 446 O GLU A 30 -13.467 2.134 -4.041 1.00 0.33 O ATOM 447 CB GLU A 30 -10.330 1.299 -4.584 1.00 0.37 C ATOM 448 CG GLU A 30 -11.170 0.115 -5.073 1.00 0.60 C ATOM 449 CD GLU A 30 -10.300 -1.143 -5.109 1.00 0.64 C ATOM 450 OE1 GLU A 30 -9.097 -1.012 -4.947 1.00 1.39 O ATOM 451 OE2 GLU A 30 -10.851 -2.215 -5.299 1.00 1.33 O ATOM 0 H GLU A 30 -9.370 3.479 -3.880 1.00 0.21 H new ATOM 0 HA GLU A 30 -11.555 2.777 -5.568 1.00 0.28 H new ATOM 0 HB2 GLU A 30 -9.467 1.437 -5.236 1.00 0.37 H new ATOM 0 HB3 GLU A 30 -9.945 1.094 -3.585 1.00 0.37 H new ATOM 0 HG2 GLU A 30 -12.023 -0.038 -4.412 1.00 0.60 H new ATOM 0 HG3 GLU A 30 -11.569 0.323 -6.066 1.00 0.60 H new ATOM 458 N LEU A 31 -12.163 2.538 -2.341 1.00 0.23 N ATOM 459 CA LEU A 31 -13.298 2.373 -1.383 1.00 0.28 C ATOM 460 C LEU A 31 -14.382 3.400 -1.696 1.00 0.32 C ATOM 461 O LEU A 31 -15.563 3.145 -1.571 1.00 0.43 O ATOM 462 CB LEU A 31 -12.809 2.631 0.040 1.00 0.26 C ATOM 463 CG LEU A 31 -11.544 1.826 0.302 1.00 0.25 C ATOM 464 CD1 LEU A 31 -11.109 2.028 1.759 1.00 0.27 C ATOM 465 CD2 LEU A 31 -11.806 0.336 0.038 1.00 0.33 C ATOM 0 H LEU A 31 -11.263 2.761 -1.916 1.00 0.23 H new ATOM 0 HA LEU A 31 -13.691 1.360 -1.474 1.00 0.28 H new ATOM 0 HB2 LEU A 31 -12.611 3.694 0.180 1.00 0.26 H new ATOM 0 HB3 LEU A 31 -13.583 2.354 0.756 1.00 0.26 H new ATOM 0 HG LEU A 31 -10.753 2.167 -0.366 1.00 0.25 H new ATOM 0 HD11 LEU A 31 -10.203 1.453 1.951 1.00 0.27 H new ATOM 0 HD12 LEU A 31 -10.912 3.085 1.937 1.00 0.27 H new ATOM 0 HD13 LEU A 31 -11.902 1.689 2.426 1.00 0.27 H new ATOM 0 HD21 LEU A 31 -10.896 -0.233 0.228 1.00 0.33 H new ATOM 0 HD22 LEU A 31 -12.598 -0.017 0.698 1.00 0.33 H new ATOM 0 HD23 LEU A 31 -12.110 0.198 -1.000 1.00 0.33 H new ATOM 477 N ASP A 32 -13.968 4.575 -2.055 1.00 0.28 N ATOM 478 CA ASP A 32 -14.930 5.671 -2.330 1.00 0.35 C ATOM 479 C ASP A 32 -15.889 5.305 -3.471 1.00 0.42 C ATOM 480 O ASP A 32 -17.063 5.612 -3.413 1.00 0.54 O ATOM 481 CB ASP A 32 -14.126 6.908 -2.713 1.00 0.38 C ATOM 482 CG ASP A 32 -15.068 8.098 -2.906 1.00 0.54 C ATOM 483 OD1 ASP A 32 -16.267 7.903 -2.793 1.00 1.12 O ATOM 484 OD2 ASP A 32 -14.574 9.182 -3.171 1.00 1.14 O ATOM 0 H ASP A 32 -12.987 4.828 -2.172 1.00 0.28 H new ATOM 0 HA ASP A 32 -15.535 5.853 -1.441 1.00 0.35 H new ATOM 0 HB2 ASP A 32 -13.395 7.133 -1.936 1.00 0.38 H new ATOM 0 HB3 ASP A 32 -13.568 6.721 -3.631 1.00 0.38 H new ATOM 489 N LYS A 33 -15.421 4.669 -4.513 1.00 0.38 N ATOM 490 CA LYS A 33 -16.352 4.329 -5.629 1.00 0.46 C ATOM 491 C LYS A 33 -17.418 3.332 -5.142 1.00 0.42 C ATOM 492 O LYS A 33 -18.578 3.445 -5.484 1.00 0.46 O ATOM 493 CB LYS A 33 -15.560 3.770 -6.829 1.00 0.58 C ATOM 494 CG LYS A 33 -15.193 2.281 -6.629 1.00 0.74 C ATOM 495 CD LYS A 33 -16.246 1.367 -7.294 1.00 1.34 C ATOM 496 CE LYS A 33 -15.851 1.077 -8.747 1.00 1.16 C ATOM 497 NZ LYS A 33 -15.600 2.356 -9.469 1.00 1.78 N ATOM 0 H LYS A 33 -14.453 4.375 -4.639 1.00 0.38 H new ATOM 0 HA LYS A 33 -16.865 5.232 -5.959 1.00 0.46 H new ATOM 0 HB2 LYS A 33 -16.151 3.880 -7.738 1.00 0.58 H new ATOM 0 HB3 LYS A 33 -14.650 4.354 -6.968 1.00 0.58 H new ATOM 0 HG2 LYS A 33 -14.210 2.083 -7.056 1.00 0.74 H new ATOM 0 HG3 LYS A 33 -15.129 2.056 -5.564 1.00 0.74 H new ATOM 0 HD2 LYS A 33 -16.330 0.433 -6.739 1.00 1.34 H new ATOM 0 HD3 LYS A 33 -17.225 1.845 -7.264 1.00 1.34 H new ATOM 0 HE2 LYS A 33 -14.957 0.453 -8.773 1.00 1.16 H new ATOM 0 HE3 LYS A 33 -16.644 0.518 -9.244 1.00 1.16 H new ATOM 0 HZ1 LYS A 33 -15.449 2.161 -10.479 1.00 1.78 H new ATOM 0 HZ2 LYS A 33 -16.421 2.985 -9.357 1.00 1.78 H new ATOM 0 HZ3 LYS A 33 -14.755 2.817 -9.076 1.00 1.78 H new ATOM 511 N TYR A 34 -17.047 2.373 -4.337 1.00 0.36 N ATOM 512 CA TYR A 34 -18.051 1.398 -3.822 1.00 0.37 C ATOM 513 C TYR A 34 -18.959 2.086 -2.802 1.00 0.33 C ATOM 514 O TYR A 34 -20.147 1.837 -2.744 1.00 0.55 O ATOM 515 CB TYR A 34 -17.340 0.211 -3.168 1.00 0.40 C ATOM 516 CG TYR A 34 -16.677 -0.624 -4.239 1.00 0.59 C ATOM 517 CD1 TYR A 34 -17.441 -1.513 -5.003 1.00 1.03 C ATOM 518 CD2 TYR A 34 -15.302 -0.506 -4.469 1.00 1.10 C ATOM 519 CE1 TYR A 34 -16.830 -2.284 -5.998 1.00 1.16 C ATOM 520 CE2 TYR A 34 -14.691 -1.278 -5.464 1.00 1.25 C ATOM 521 CZ TYR A 34 -15.455 -2.166 -6.230 1.00 0.99 C ATOM 522 OH TYR A 34 -14.852 -2.927 -7.211 1.00 1.20 O ATOM 0 H TYR A 34 -16.091 2.223 -4.014 1.00 0.36 H new ATOM 0 HA TYR A 34 -18.655 1.034 -4.653 1.00 0.37 H new ATOM 0 HB2 TYR A 34 -16.596 0.566 -2.454 1.00 0.40 H new ATOM 0 HB3 TYR A 34 -18.055 -0.393 -2.610 1.00 0.40 H new ATOM 0 HD1 TYR A 34 -18.502 -1.604 -4.825 1.00 1.03 H new ATOM 0 HD2 TYR A 34 -14.712 0.180 -3.879 1.00 1.10 H new ATOM 0 HE1 TYR A 34 -17.420 -2.971 -6.587 1.00 1.16 H new ATOM 0 HE2 TYR A 34 -13.629 -1.188 -5.641 1.00 1.25 H new ATOM 0 HH TYR A 34 -13.894 -2.722 -7.241 1.00 1.20 H new ATOM 532 N GLY A 35 -18.405 2.947 -1.988 1.00 0.24 N ATOM 533 CA GLY A 35 -19.227 3.650 -0.958 1.00 0.31 C ATOM 534 C GLY A 35 -19.238 2.831 0.335 1.00 0.31 C ATOM 535 O GLY A 35 -20.172 2.888 1.110 1.00 0.36 O ATOM 0 H GLY A 35 -17.415 3.194 -1.992 1.00 0.24 H new ATOM 0 HA2 GLY A 35 -18.819 4.643 -0.768 1.00 0.31 H new ATOM 0 HA3 GLY A 35 -20.245 3.788 -1.322 1.00 0.31 H new ATOM 539 N VAL A 36 -18.204 2.068 0.577 1.00 0.33 N ATOM 540 CA VAL A 36 -18.153 1.250 1.820 1.00 0.38 C ATOM 541 C VAL A 36 -17.970 2.169 3.030 1.00 0.42 C ATOM 542 O VAL A 36 -18.064 3.376 2.925 1.00 0.45 O ATOM 543 CB VAL A 36 -16.986 0.267 1.738 1.00 0.41 C ATOM 544 CG1 VAL A 36 -17.325 -0.853 0.752 1.00 0.71 C ATOM 545 CG2 VAL A 36 -15.731 0.999 1.265 1.00 0.66 C ATOM 0 H VAL A 36 -17.393 1.977 -0.035 1.00 0.33 H new ATOM 0 HA VAL A 36 -19.084 0.694 1.927 1.00 0.38 H new ATOM 0 HB VAL A 36 -16.806 -0.161 2.724 1.00 0.41 H new ATOM 0 HG11 VAL A 36 -16.491 -1.553 0.695 1.00 0.71 H new ATOM 0 HG12 VAL A 36 -18.217 -1.379 1.091 1.00 0.71 H new ATOM 0 HG13 VAL A 36 -17.508 -0.426 -0.234 1.00 0.71 H new ATOM 0 HG21 VAL A 36 -14.900 0.296 1.207 1.00 0.66 H new ATOM 0 HG22 VAL A 36 -15.911 1.430 0.280 1.00 0.66 H new ATOM 0 HG23 VAL A 36 -15.486 1.794 1.970 1.00 0.66 H new ATOM 555 N SER A 37 -17.717 1.606 4.179 1.00 0.55 N ATOM 556 CA SER A 37 -17.535 2.443 5.400 1.00 0.64 C ATOM 557 C SER A 37 -16.220 3.223 5.309 1.00 0.50 C ATOM 558 O SER A 37 -15.265 2.784 4.701 1.00 0.93 O ATOM 559 CB SER A 37 -17.509 1.542 6.635 1.00 0.96 C ATOM 560 OG SER A 37 -17.335 2.343 7.796 1.00 1.56 O ATOM 0 H SER A 37 -17.628 0.601 4.326 1.00 0.55 H new ATOM 0 HA SER A 37 -18.363 3.148 5.477 1.00 0.64 H new ATOM 0 HB2 SER A 37 -18.437 0.975 6.706 1.00 0.96 H new ATOM 0 HB3 SER A 37 -16.699 0.817 6.554 1.00 0.96 H new ATOM 0 HG SER A 37 -17.320 1.769 8.590 1.00 1.56 H new ATOM 566 N ASP A 38 -16.168 4.380 5.915 1.00 0.43 N ATOM 567 CA ASP A 38 -14.920 5.197 5.874 1.00 0.37 C ATOM 568 C ASP A 38 -13.961 4.711 6.961 1.00 0.54 C ATOM 569 O ASP A 38 -12.908 5.272 7.167 1.00 1.41 O ATOM 570 CB ASP A 38 -15.266 6.668 6.117 1.00 0.53 C ATOM 571 CG ASP A 38 -15.841 6.833 7.526 1.00 1.52 C ATOM 572 OD1 ASP A 38 -16.289 5.843 8.082 1.00 2.35 O ATOM 573 OD2 ASP A 38 -15.825 7.947 8.024 1.00 2.16 O ATOM 0 H ASP A 38 -16.939 4.795 6.438 1.00 0.43 H new ATOM 0 HA ASP A 38 -14.447 5.093 4.898 1.00 0.37 H new ATOM 0 HB2 ASP A 38 -14.375 7.286 6.002 1.00 0.53 H new ATOM 0 HB3 ASP A 38 -15.989 7.010 5.376 1.00 0.53 H new ATOM 578 N TYR A 39 -14.321 3.670 7.660 1.00 0.42 N ATOM 579 CA TYR A 39 -13.428 3.139 8.731 1.00 0.33 C ATOM 580 C TYR A 39 -12.342 2.245 8.108 1.00 0.25 C ATOM 581 O TYR A 39 -11.190 2.288 8.492 1.00 0.26 O ATOM 582 CB TYR A 39 -14.270 2.318 9.714 1.00 0.44 C ATOM 583 CG TYR A 39 -13.365 1.570 10.663 1.00 0.57 C ATOM 584 CD1 TYR A 39 -12.964 2.154 11.869 1.00 1.35 C ATOM 585 CD2 TYR A 39 -12.923 0.287 10.325 1.00 1.19 C ATOM 586 CE1 TYR A 39 -12.120 1.452 12.739 1.00 1.51 C ATOM 587 CE2 TYR A 39 -12.082 -0.414 11.190 1.00 1.30 C ATOM 588 CZ TYR A 39 -11.679 0.167 12.399 1.00 1.02 C ATOM 589 OH TYR A 39 -10.847 -0.527 13.255 1.00 1.27 O ATOM 0 H TYR A 39 -15.197 3.162 7.536 1.00 0.42 H new ATOM 0 HA TYR A 39 -12.948 3.966 9.254 1.00 0.33 H new ATOM 0 HB2 TYR A 39 -14.936 2.975 10.274 1.00 0.44 H new ATOM 0 HB3 TYR A 39 -14.900 1.616 9.169 1.00 0.44 H new ATOM 0 HD1 TYR A 39 -13.305 3.145 12.129 1.00 1.35 H new ATOM 0 HD2 TYR A 39 -13.233 -0.162 9.393 1.00 1.19 H new ATOM 0 HE1 TYR A 39 -11.810 1.901 13.671 1.00 1.51 H new ATOM 0 HE2 TYR A 39 -11.742 -1.405 10.927 1.00 1.30 H new ATOM 0 HH TYR A 39 -10.636 -1.403 12.868 1.00 1.27 H new ATOM 599 N TYR A 40 -12.714 1.427 7.163 1.00 0.25 N ATOM 600 CA TYR A 40 -11.730 0.509 6.514 1.00 0.23 C ATOM 601 C TYR A 40 -10.605 1.307 5.848 1.00 0.19 C ATOM 602 O TYR A 40 -9.487 0.842 5.745 1.00 0.19 O ATOM 603 CB TYR A 40 -12.451 -0.327 5.451 1.00 0.29 C ATOM 604 CG TYR A 40 -13.553 -1.140 6.099 1.00 0.29 C ATOM 605 CD1 TYR A 40 -13.234 -2.123 7.044 1.00 0.66 C ATOM 606 CD2 TYR A 40 -14.894 -0.914 5.753 1.00 0.80 C ATOM 607 CE1 TYR A 40 -14.251 -2.878 7.643 1.00 0.76 C ATOM 608 CE2 TYR A 40 -15.910 -1.669 6.352 1.00 0.94 C ATOM 609 CZ TYR A 40 -15.588 -2.651 7.296 1.00 0.70 C ATOM 610 OH TYR A 40 -16.589 -3.395 7.887 1.00 0.93 O ATOM 0 H TYR A 40 -13.667 1.353 6.808 1.00 0.25 H new ATOM 0 HA TYR A 40 -11.297 -0.139 7.276 1.00 0.23 H new ATOM 0 HB2 TYR A 40 -12.870 0.325 4.685 1.00 0.29 H new ATOM 0 HB3 TYR A 40 -11.742 -0.989 4.953 1.00 0.29 H new ATOM 0 HD1 TYR A 40 -12.203 -2.299 7.311 1.00 0.66 H new ATOM 0 HD2 TYR A 40 -15.143 -0.157 5.024 1.00 0.80 H new ATOM 0 HE1 TYR A 40 -14.003 -3.635 8.372 1.00 0.76 H new ATOM 0 HE2 TYR A 40 -16.942 -1.494 6.086 1.00 0.94 H new ATOM 0 HH TYR A 40 -17.459 -3.111 7.536 1.00 0.93 H new ATOM 620 N LYS A 41 -10.880 2.498 5.391 1.00 0.18 N ATOM 621 CA LYS A 41 -9.814 3.299 4.735 1.00 0.17 C ATOM 622 C LYS A 41 -8.682 3.523 5.736 1.00 0.16 C ATOM 623 O LYS A 41 -7.521 3.562 5.381 1.00 0.17 O ATOM 624 CB LYS A 41 -10.398 4.641 4.249 1.00 0.22 C ATOM 625 CG LYS A 41 -10.703 5.582 5.444 1.00 0.79 C ATOM 626 CD LYS A 41 -9.587 6.632 5.607 1.00 1.17 C ATOM 627 CE LYS A 41 -9.846 7.819 4.672 1.00 1.68 C ATOM 628 NZ LYS A 41 -11.025 8.588 5.161 1.00 2.14 N ATOM 0 H LYS A 41 -11.794 2.948 5.444 1.00 0.18 H new ATOM 0 HA LYS A 41 -9.420 2.769 3.868 1.00 0.17 H new ATOM 0 HB2 LYS A 41 -9.693 5.124 3.572 1.00 0.22 H new ATOM 0 HB3 LYS A 41 -11.311 4.460 3.682 1.00 0.22 H new ATOM 0 HG2 LYS A 41 -11.659 6.081 5.286 1.00 0.79 H new ATOM 0 HG3 LYS A 41 -10.796 4.998 6.359 1.00 0.79 H new ATOM 0 HD2 LYS A 41 -9.546 6.975 6.641 1.00 1.17 H new ATOM 0 HD3 LYS A 41 -8.619 6.185 5.381 1.00 1.17 H new ATOM 0 HE2 LYS A 41 -8.968 8.464 4.634 1.00 1.68 H new ATOM 0 HE3 LYS A 41 -10.025 7.464 3.657 1.00 1.68 H new ATOM 0 HZ1 LYS A 41 -10.944 9.579 4.857 1.00 2.14 H new ATOM 0 HZ2 LYS A 41 -11.895 8.176 4.769 1.00 2.14 H new ATOM 0 HZ3 LYS A 41 -11.060 8.547 6.200 1.00 2.14 H new ATOM 642 N ASN A 42 -9.015 3.654 6.989 1.00 0.19 N ATOM 643 CA ASN A 42 -7.970 3.855 8.020 1.00 0.21 C ATOM 644 C ASN A 42 -7.172 2.562 8.185 1.00 0.18 C ATOM 645 O ASN A 42 -5.972 2.577 8.369 1.00 0.19 O ATOM 646 CB ASN A 42 -8.620 4.240 9.352 1.00 0.25 C ATOM 647 CG ASN A 42 -9.200 5.652 9.247 1.00 0.32 C ATOM 648 OD1 ASN A 42 -8.545 6.557 8.771 1.00 1.12 O ATOM 649 ND2 ASN A 42 -10.413 5.880 9.675 1.00 1.16 N ATOM 0 H ASN A 42 -9.972 3.630 7.341 1.00 0.19 H new ATOM 0 HA ASN A 42 -7.302 4.658 7.710 1.00 0.21 H new ATOM 0 HB2 ASN A 42 -9.408 3.530 9.603 1.00 0.25 H new ATOM 0 HB3 ASN A 42 -7.883 4.197 10.154 1.00 0.25 H new ATOM 0 HD21 ASN A 42 -10.809 6.818 9.609 1.00 1.16 H new ATOM 0 HD22 ASN A 42 -10.964 5.120 10.075 1.00 1.16 H new ATOM 656 N LEU A 43 -7.836 1.442 8.129 1.00 0.16 N ATOM 657 CA LEU A 43 -7.126 0.145 8.289 1.00 0.16 C ATOM 658 C LEU A 43 -6.067 0.002 7.190 1.00 0.14 C ATOM 659 O LEU A 43 -4.960 -0.428 7.442 1.00 0.17 O ATOM 660 CB LEU A 43 -8.148 -0.996 8.200 1.00 0.17 C ATOM 661 CG LEU A 43 -7.452 -2.356 8.352 1.00 0.20 C ATOM 662 CD1 LEU A 43 -6.717 -2.436 9.701 1.00 0.63 C ATOM 663 CD2 LEU A 43 -8.509 -3.464 8.276 1.00 0.63 C ATOM 0 H LEU A 43 -8.842 1.370 7.979 1.00 0.16 H new ATOM 0 HA LEU A 43 -6.629 0.106 9.258 1.00 0.16 H new ATOM 0 HB2 LEU A 43 -8.902 -0.878 8.978 1.00 0.17 H new ATOM 0 HB3 LEU A 43 -8.668 -0.952 7.243 1.00 0.17 H new ATOM 0 HG LEU A 43 -6.722 -2.478 7.552 1.00 0.20 H new ATOM 0 HD11 LEU A 43 -6.229 -3.406 9.793 1.00 0.63 H new ATOM 0 HD12 LEU A 43 -5.967 -1.647 9.754 1.00 0.63 H new ATOM 0 HD13 LEU A 43 -7.433 -2.312 10.513 1.00 0.63 H new ATOM 0 HD21 LEU A 43 -8.026 -4.435 8.383 1.00 0.63 H new ATOM 0 HD22 LEU A 43 -9.235 -3.330 9.078 1.00 0.63 H new ATOM 0 HD23 LEU A 43 -9.018 -3.416 7.313 1.00 0.63 H new ATOM 675 N ILE A 44 -6.385 0.373 5.978 1.00 0.13 N ATOM 676 CA ILE A 44 -5.373 0.265 4.886 1.00 0.13 C ATOM 677 C ILE A 44 -4.167 1.135 5.237 1.00 0.14 C ATOM 678 O ILE A 44 -3.032 0.757 5.027 1.00 0.15 O ATOM 679 CB ILE A 44 -5.989 0.733 3.563 1.00 0.16 C ATOM 680 CG1 ILE A 44 -7.026 -0.295 3.116 1.00 0.33 C ATOM 681 CG2 ILE A 44 -4.900 0.854 2.493 1.00 0.14 C ATOM 682 CD1 ILE A 44 -7.835 0.241 1.935 1.00 0.38 C ATOM 0 H ILE A 44 -7.293 0.743 5.698 1.00 0.13 H new ATOM 0 HA ILE A 44 -5.055 -0.772 4.779 1.00 0.13 H new ATOM 0 HB ILE A 44 -6.459 1.707 3.702 1.00 0.16 H new ATOM 0 HG12 ILE A 44 -6.529 -1.223 2.833 1.00 0.33 H new ATOM 0 HG13 ILE A 44 -7.694 -0.531 3.945 1.00 0.33 H new ATOM 0 HG21 ILE A 44 -5.346 1.187 1.556 1.00 0.14 H new ATOM 0 HG22 ILE A 44 -4.151 1.578 2.816 1.00 0.14 H new ATOM 0 HG23 ILE A 44 -4.426 -0.116 2.345 1.00 0.14 H new ATOM 0 HD11 ILE A 44 -8.569 -0.504 1.629 1.00 0.38 H new ATOM 0 HD12 ILE A 44 -8.348 1.156 2.231 1.00 0.38 H new ATOM 0 HD13 ILE A 44 -7.165 0.454 1.102 1.00 0.38 H new ATOM 694 N ASN A 45 -4.407 2.294 5.784 1.00 0.15 N ATOM 695 CA ASN A 45 -3.279 3.186 6.163 1.00 0.19 C ATOM 696 C ASN A 45 -2.395 2.467 7.182 1.00 0.20 C ATOM 697 O ASN A 45 -1.183 2.561 7.147 1.00 0.28 O ATOM 698 CB ASN A 45 -3.826 4.482 6.769 1.00 0.22 C ATOM 699 CG ASN A 45 -4.499 5.313 5.675 1.00 0.65 C ATOM 700 OD1 ASN A 45 -4.224 5.135 4.505 1.00 1.46 O ATOM 701 ND2 ASN A 45 -5.375 6.221 6.009 1.00 0.94 N ATOM 0 H ASN A 45 -5.337 2.661 5.985 1.00 0.15 H new ATOM 0 HA ASN A 45 -2.691 3.431 5.279 1.00 0.19 H new ATOM 0 HB2 ASN A 45 -4.542 4.253 7.559 1.00 0.22 H new ATOM 0 HB3 ASN A 45 -3.017 5.051 7.227 1.00 0.22 H new ATOM 0 HD21 ASN A 45 -5.829 6.781 5.288 1.00 0.94 H new ATOM 0 HD22 ASN A 45 -5.606 6.370 6.991 1.00 0.94 H new ATOM 708 N ASN A 46 -2.993 1.754 8.095 1.00 0.17 N ATOM 709 CA ASN A 46 -2.197 1.035 9.128 1.00 0.22 C ATOM 710 C ASN A 46 -1.428 -0.125 8.482 1.00 0.24 C ATOM 711 O ASN A 46 -0.453 -0.606 9.024 1.00 0.27 O ATOM 712 CB ASN A 46 -3.146 0.485 10.194 1.00 0.24 C ATOM 713 CG ASN A 46 -3.720 1.645 11.010 1.00 0.41 C ATOM 714 OD1 ASN A 46 -3.098 2.681 11.134 1.00 1.10 O ATOM 715 ND2 ASN A 46 -4.891 1.516 11.571 1.00 1.22 N ATOM 0 H ASN A 46 -4.004 1.638 8.170 1.00 0.17 H new ATOM 0 HA ASN A 46 -1.485 1.724 9.583 1.00 0.22 H new ATOM 0 HB2 ASN A 46 -3.953 -0.077 9.723 1.00 0.24 H new ATOM 0 HB3 ASN A 46 -2.615 -0.206 10.848 1.00 0.24 H new ATOM 0 HD21 ASN A 46 -5.284 2.285 12.114 1.00 1.22 H new ATOM 0 HD22 ASN A 46 -5.413 0.646 11.467 1.00 1.22 H new ATOM 722 N ALA A 47 -1.849 -0.575 7.330 1.00 0.24 N ATOM 723 CA ALA A 47 -1.124 -1.699 6.666 1.00 0.30 C ATOM 724 C ALA A 47 0.320 -1.270 6.387 1.00 0.51 C ATOM 725 O ALA A 47 0.574 -0.152 5.988 1.00 1.49 O ATOM 726 CB ALA A 47 -1.818 -2.052 5.348 1.00 0.21 C ATOM 0 H ALA A 47 -2.658 -0.216 6.822 1.00 0.24 H new ATOM 0 HA ALA A 47 -1.128 -2.573 7.318 1.00 0.30 H new ATOM 0 HB1 ALA A 47 -1.287 -2.872 4.866 1.00 0.21 H new ATOM 0 HB2 ALA A 47 -2.846 -2.353 5.548 1.00 0.21 H new ATOM 0 HB3 ALA A 47 -1.816 -1.182 4.691 1.00 0.21 H new ATOM 732 N LYS A 48 1.267 -2.152 6.605 1.00 0.60 N ATOM 733 CA LYS A 48 2.708 -1.806 6.368 1.00 0.53 C ATOM 734 C LYS A 48 3.237 -2.519 5.112 1.00 0.42 C ATOM 735 O LYS A 48 4.390 -2.374 4.757 1.00 0.51 O ATOM 736 CB LYS A 48 3.525 -2.228 7.591 1.00 0.68 C ATOM 737 CG LYS A 48 3.248 -3.697 7.909 1.00 1.13 C ATOM 738 CD LYS A 48 4.064 -4.123 9.131 1.00 1.72 C ATOM 739 CE LYS A 48 3.832 -5.611 9.396 1.00 2.29 C ATOM 740 NZ LYS A 48 4.276 -6.397 8.210 1.00 2.97 N ATOM 0 H LYS A 48 1.104 -3.102 6.939 1.00 0.60 H new ATOM 0 HA LYS A 48 2.799 -0.731 6.212 1.00 0.53 H new ATOM 0 HB2 LYS A 48 4.588 -2.081 7.400 1.00 0.68 H new ATOM 0 HB3 LYS A 48 3.266 -1.605 8.447 1.00 0.68 H new ATOM 0 HG2 LYS A 48 2.185 -3.843 8.101 1.00 1.13 H new ATOM 0 HG3 LYS A 48 3.506 -4.319 7.052 1.00 1.13 H new ATOM 0 HD2 LYS A 48 5.124 -3.933 8.960 1.00 1.72 H new ATOM 0 HD3 LYS A 48 3.771 -3.536 10.002 1.00 1.72 H new ATOM 0 HE2 LYS A 48 4.384 -5.925 10.282 1.00 2.29 H new ATOM 0 HE3 LYS A 48 2.777 -5.797 9.595 1.00 2.29 H new ATOM 0 HZ1 LYS A 48 4.832 -7.218 8.526 1.00 2.97 H new ATOM 0 HZ2 LYS A 48 3.444 -6.725 7.680 1.00 2.97 H new ATOM 0 HZ3 LYS A 48 4.863 -5.797 7.596 1.00 2.97 H new ATOM 754 N THR A 49 2.408 -3.280 4.433 1.00 0.35 N ATOM 755 CA THR A 49 2.871 -3.991 3.189 1.00 0.42 C ATOM 756 C THR A 49 1.804 -3.867 2.096 1.00 0.62 C ATOM 757 O THR A 49 0.620 -3.905 2.364 1.00 1.59 O ATOM 758 CB THR A 49 3.106 -5.478 3.489 1.00 0.45 C ATOM 759 OG1 THR A 49 1.986 -6.000 4.190 1.00 0.57 O ATOM 760 CG2 THR A 49 4.375 -5.658 4.332 1.00 0.48 C ATOM 0 H THR A 49 1.432 -3.441 4.684 1.00 0.35 H new ATOM 0 HA THR A 49 3.802 -3.536 2.851 1.00 0.42 H new ATOM 0 HB THR A 49 3.233 -6.015 2.549 1.00 0.45 H new ATOM 0 HG1 THR A 49 2.133 -6.950 4.381 1.00 0.57 H new ATOM 0 HG21 THR A 49 4.529 -6.718 4.537 1.00 0.48 H new ATOM 0 HG22 THR A 49 5.233 -5.266 3.786 1.00 0.48 H new ATOM 0 HG23 THR A 49 4.266 -5.119 5.273 1.00 0.48 H new ATOM 768 N VAL A 50 2.219 -3.731 0.864 1.00 0.44 N ATOM 769 CA VAL A 50 1.235 -3.615 -0.252 1.00 0.33 C ATOM 770 C VAL A 50 0.569 -4.965 -0.499 1.00 0.37 C ATOM 771 O VAL A 50 -0.559 -5.039 -0.942 1.00 0.40 O ATOM 772 CB VAL A 50 1.945 -3.152 -1.521 1.00 0.42 C ATOM 773 CG1 VAL A 50 3.068 -4.129 -1.875 1.00 0.47 C ATOM 774 CG2 VAL A 50 0.944 -3.093 -2.679 1.00 0.44 C ATOM 0 H VAL A 50 3.199 -3.695 0.582 1.00 0.44 H new ATOM 0 HA VAL A 50 0.473 -2.885 0.020 1.00 0.33 H new ATOM 0 HB VAL A 50 2.367 -2.162 -1.350 1.00 0.42 H new ATOM 0 HG11 VAL A 50 3.571 -3.793 -2.782 1.00 0.47 H new ATOM 0 HG12 VAL A 50 3.786 -4.170 -1.056 1.00 0.47 H new ATOM 0 HG13 VAL A 50 2.648 -5.121 -2.040 1.00 0.47 H new ATOM 0 HG21 VAL A 50 1.454 -2.762 -3.584 1.00 0.44 H new ATOM 0 HG22 VAL A 50 0.519 -4.083 -2.843 1.00 0.44 H new ATOM 0 HG23 VAL A 50 0.146 -2.392 -2.435 1.00 0.44 H new ATOM 784 N GLU A 51 1.248 -6.041 -0.221 1.00 0.43 N ATOM 785 CA GLU A 51 0.627 -7.369 -0.453 1.00 0.53 C ATOM 786 C GLU A 51 -0.636 -7.448 0.395 1.00 0.49 C ATOM 787 O GLU A 51 -1.659 -7.945 -0.032 1.00 0.62 O ATOM 788 CB GLU A 51 1.597 -8.476 -0.035 1.00 0.66 C ATOM 789 CG GLU A 51 2.768 -8.528 -1.017 1.00 1.57 C ATOM 790 CD GLU A 51 3.737 -9.635 -0.598 1.00 1.95 C ATOM 791 OE1 GLU A 51 3.535 -10.199 0.465 1.00 2.14 O ATOM 792 OE2 GLU A 51 4.666 -9.897 -1.343 1.00 2.64 O ATOM 0 H GLU A 51 2.197 -6.058 0.153 1.00 0.43 H new ATOM 0 HA GLU A 51 0.388 -7.497 -1.509 1.00 0.53 H new ATOM 0 HB2 GLU A 51 1.964 -8.290 0.975 1.00 0.66 H new ATOM 0 HB3 GLU A 51 1.082 -9.437 -0.016 1.00 0.66 H new ATOM 0 HG2 GLU A 51 2.402 -8.714 -2.027 1.00 1.57 H new ATOM 0 HG3 GLU A 51 3.283 -7.568 -1.036 1.00 1.57 H new ATOM 799 N GLY A 52 -0.574 -6.942 1.592 1.00 0.40 N ATOM 800 CA GLY A 52 -1.769 -6.961 2.470 1.00 0.41 C ATOM 801 C GLY A 52 -2.816 -5.988 1.922 1.00 0.31 C ATOM 802 O GLY A 52 -4.001 -6.200 2.068 1.00 0.35 O ATOM 0 H GLY A 52 0.257 -6.515 2.000 1.00 0.40 H new ATOM 0 HA2 GLY A 52 -2.182 -7.968 2.519 1.00 0.41 H new ATOM 0 HA3 GLY A 52 -1.492 -6.681 3.486 1.00 0.41 H new ATOM 806 N VAL A 53 -2.393 -4.918 1.294 1.00 0.22 N ATOM 807 CA VAL A 53 -3.384 -3.940 0.755 1.00 0.15 C ATOM 808 C VAL A 53 -4.288 -4.641 -0.263 1.00 0.14 C ATOM 809 O VAL A 53 -5.498 -4.545 -0.205 1.00 0.17 O ATOM 810 CB VAL A 53 -2.641 -2.787 0.074 1.00 0.14 C ATOM 811 CG1 VAL A 53 -3.640 -1.879 -0.648 1.00 0.19 C ATOM 812 CG2 VAL A 53 -1.884 -1.981 1.132 1.00 0.14 C ATOM 0 H VAL A 53 -1.414 -4.682 1.133 1.00 0.22 H new ATOM 0 HA VAL A 53 -3.992 -3.548 1.570 1.00 0.15 H new ATOM 0 HB VAL A 53 -1.936 -3.189 -0.654 1.00 0.14 H new ATOM 0 HG11 VAL A 53 -3.105 -1.061 -1.130 1.00 0.19 H new ATOM 0 HG12 VAL A 53 -4.177 -2.455 -1.401 1.00 0.19 H new ATOM 0 HG13 VAL A 53 -4.350 -1.473 0.073 1.00 0.19 H new ATOM 0 HG21 VAL A 53 -1.353 -1.159 0.652 1.00 0.14 H new ATOM 0 HG22 VAL A 53 -2.591 -1.581 1.859 1.00 0.14 H new ATOM 0 HG23 VAL A 53 -1.168 -2.628 1.639 1.00 0.14 H new ATOM 822 N LYS A 54 -3.711 -5.346 -1.198 1.00 0.18 N ATOM 823 CA LYS A 54 -4.534 -6.052 -2.219 1.00 0.21 C ATOM 824 C LYS A 54 -5.347 -7.164 -1.552 1.00 0.20 C ATOM 825 O LYS A 54 -6.493 -7.394 -1.883 1.00 0.21 O ATOM 826 CB LYS A 54 -3.614 -6.664 -3.275 1.00 0.26 C ATOM 827 CG LYS A 54 -4.457 -7.373 -4.337 1.00 0.30 C ATOM 828 CD LYS A 54 -3.570 -7.764 -5.525 1.00 0.78 C ATOM 829 CE LYS A 54 -2.506 -8.776 -5.082 1.00 1.14 C ATOM 830 NZ LYS A 54 -1.369 -8.057 -4.441 1.00 1.73 N ATOM 0 H LYS A 54 -2.703 -5.463 -1.298 1.00 0.18 H new ATOM 0 HA LYS A 54 -5.213 -5.340 -2.688 1.00 0.21 H new ATOM 0 HB2 LYS A 54 -3.006 -5.887 -3.737 1.00 0.26 H new ATOM 0 HB3 LYS A 54 -2.927 -7.371 -2.809 1.00 0.26 H new ATOM 0 HG2 LYS A 54 -4.924 -8.261 -3.911 1.00 0.30 H new ATOM 0 HG3 LYS A 54 -5.262 -6.719 -4.672 1.00 0.30 H new ATOM 0 HD2 LYS A 54 -4.181 -8.193 -6.319 1.00 0.78 H new ATOM 0 HD3 LYS A 54 -3.089 -6.877 -5.937 1.00 0.78 H new ATOM 0 HE2 LYS A 54 -2.939 -9.491 -4.382 1.00 1.14 H new ATOM 0 HE3 LYS A 54 -2.151 -9.346 -5.941 1.00 1.14 H new ATOM 0 HZ1 LYS A 54 -0.482 -8.313 -4.920 1.00 1.73 H new ATOM 0 HZ2 LYS A 54 -1.520 -7.031 -4.517 1.00 1.73 H new ATOM 0 HZ3 LYS A 54 -1.311 -8.324 -3.438 1.00 1.73 H new ATOM 844 N ALA A 55 -4.757 -7.865 -0.623 1.00 0.22 N ATOM 845 CA ALA A 55 -5.485 -8.973 0.057 1.00 0.23 C ATOM 846 C ALA A 55 -6.510 -8.398 1.039 1.00 0.20 C ATOM 847 O ALA A 55 -7.336 -9.111 1.572 1.00 0.19 O ATOM 848 CB ALA A 55 -4.485 -9.847 0.817 1.00 0.30 C ATOM 0 H ALA A 55 -3.799 -7.717 -0.305 1.00 0.22 H new ATOM 0 HA ALA A 55 -6.003 -9.574 -0.690 1.00 0.23 H new ATOM 0 HB1 ALA A 55 -5.016 -10.658 1.315 1.00 0.30 H new ATOM 0 HB2 ALA A 55 -3.760 -10.263 0.117 1.00 0.30 H new ATOM 0 HB3 ALA A 55 -3.965 -9.243 1.561 1.00 0.30 H new ATOM 854 N LEU A 56 -6.469 -7.120 1.290 1.00 0.20 N ATOM 855 CA LEU A 56 -7.458 -6.522 2.230 1.00 0.21 C ATOM 856 C LEU A 56 -8.755 -6.224 1.472 1.00 0.18 C ATOM 857 O LEU A 56 -9.836 -6.570 1.901 1.00 0.19 O ATOM 858 CB LEU A 56 -6.912 -5.215 2.821 1.00 0.26 C ATOM 859 CG LEU A 56 -7.765 -4.786 4.032 1.00 0.30 C ATOM 860 CD1 LEU A 56 -7.338 -5.550 5.294 1.00 0.34 C ATOM 861 CD2 LEU A 56 -7.594 -3.287 4.273 1.00 0.46 C ATOM 0 H LEU A 56 -5.797 -6.466 0.888 1.00 0.20 H new ATOM 0 HA LEU A 56 -7.647 -7.227 3.040 1.00 0.21 H new ATOM 0 HB2 LEU A 56 -5.874 -5.350 3.126 1.00 0.26 H new ATOM 0 HB3 LEU A 56 -6.922 -4.432 2.063 1.00 0.26 H new ATOM 0 HG LEU A 56 -8.809 -5.013 3.817 1.00 0.30 H new ATOM 0 HD11 LEU A 56 -7.952 -5.233 6.137 1.00 0.34 H new ATOM 0 HD12 LEU A 56 -7.468 -6.620 5.133 1.00 0.34 H new ATOM 0 HD13 LEU A 56 -6.290 -5.340 5.509 1.00 0.34 H new ATOM 0 HD21 LEU A 56 -8.197 -2.985 5.129 1.00 0.46 H new ATOM 0 HD22 LEU A 56 -6.545 -3.068 4.473 1.00 0.46 H new ATOM 0 HD23 LEU A 56 -7.917 -2.737 3.389 1.00 0.46 H new ATOM 873 N ILE A 57 -8.642 -5.555 0.355 1.00 0.16 N ATOM 874 CA ILE A 57 -9.851 -5.190 -0.439 1.00 0.17 C ATOM 875 C ILE A 57 -10.583 -6.445 -0.918 1.00 0.17 C ATOM 876 O ILE A 57 -11.795 -6.520 -0.861 1.00 0.20 O ATOM 877 CB ILE A 57 -9.438 -4.381 -1.674 1.00 0.18 C ATOM 878 CG1 ILE A 57 -8.505 -3.213 -1.285 1.00 0.19 C ATOM 879 CG2 ILE A 57 -10.691 -3.839 -2.362 1.00 0.23 C ATOM 880 CD1 ILE A 57 -9.276 -2.073 -0.599 1.00 0.21 C ATOM 0 H ILE A 57 -7.756 -5.244 -0.044 1.00 0.16 H new ATOM 0 HA ILE A 57 -10.508 -4.603 0.202 1.00 0.17 H new ATOM 0 HB ILE A 57 -8.894 -5.035 -2.355 1.00 0.18 H new ATOM 0 HG12 ILE A 57 -7.724 -3.578 -0.617 1.00 0.19 H new ATOM 0 HG13 ILE A 57 -8.009 -2.831 -2.177 1.00 0.19 H new ATOM 0 HG21 ILE A 57 -10.403 -3.263 -3.241 1.00 0.23 H new ATOM 0 HG22 ILE A 57 -11.328 -4.670 -2.665 1.00 0.23 H new ATOM 0 HG23 ILE A 57 -11.237 -3.197 -1.671 1.00 0.23 H new ATOM 0 HD11 ILE A 57 -8.585 -1.270 -0.341 1.00 0.21 H new ATOM 0 HD12 ILE A 57 -10.039 -1.691 -1.277 1.00 0.21 H new ATOM 0 HD13 ILE A 57 -9.751 -2.449 0.307 1.00 0.21 H new ATOM 892 N ASP A 58 -9.873 -7.422 -1.412 1.00 0.16 N ATOM 893 CA ASP A 58 -10.569 -8.645 -1.911 1.00 0.19 C ATOM 894 C ASP A 58 -11.358 -9.294 -0.773 1.00 0.19 C ATOM 895 O ASP A 58 -12.470 -9.745 -0.960 1.00 0.22 O ATOM 896 CB ASP A 58 -9.550 -9.637 -2.479 1.00 0.21 C ATOM 897 CG ASP A 58 -8.565 -10.032 -1.387 1.00 0.50 C ATOM 898 OD1 ASP A 58 -8.471 -9.300 -0.423 1.00 1.17 O ATOM 899 OD2 ASP A 58 -7.920 -11.057 -1.535 1.00 1.11 O ATOM 0 H ASP A 58 -8.856 -7.429 -1.492 1.00 0.16 H new ATOM 0 HA ASP A 58 -11.260 -8.361 -2.705 1.00 0.19 H new ATOM 0 HB2 ASP A 58 -10.061 -10.521 -2.861 1.00 0.21 H new ATOM 0 HB3 ASP A 58 -9.019 -9.189 -3.318 1.00 0.21 H new ATOM 904 N GLU A 59 -10.808 -9.330 0.409 1.00 0.18 N ATOM 905 CA GLU A 59 -11.550 -9.932 1.548 1.00 0.21 C ATOM 906 C GLU A 59 -12.713 -9.016 1.909 1.00 0.24 C ATOM 907 O GLU A 59 -13.805 -9.461 2.202 1.00 0.30 O ATOM 908 CB GLU A 59 -10.604 -10.093 2.745 1.00 0.23 C ATOM 909 CG GLU A 59 -9.748 -11.358 2.576 1.00 0.25 C ATOM 910 CD GLU A 59 -9.156 -11.417 1.164 1.00 0.38 C ATOM 911 OE1 GLU A 59 -9.924 -11.570 0.229 1.00 1.04 O ATOM 912 OE2 GLU A 59 -7.945 -11.323 1.045 1.00 0.98 O ATOM 0 H GLU A 59 -9.881 -8.970 0.633 1.00 0.18 H new ATOM 0 HA GLU A 59 -11.934 -10.915 1.274 1.00 0.21 H new ATOM 0 HB2 GLU A 59 -9.960 -9.218 2.830 1.00 0.23 H new ATOM 0 HB3 GLU A 59 -11.180 -10.155 3.668 1.00 0.23 H new ATOM 0 HG2 GLU A 59 -8.946 -11.363 3.314 1.00 0.25 H new ATOM 0 HG3 GLU A 59 -10.356 -12.244 2.760 1.00 0.25 H new ATOM 919 N ILE A 60 -12.487 -7.733 1.883 1.00 0.23 N ATOM 920 CA ILE A 60 -13.577 -6.782 2.215 1.00 0.27 C ATOM 921 C ILE A 60 -14.678 -6.881 1.157 1.00 0.28 C ATOM 922 O ILE A 60 -15.844 -7.016 1.469 1.00 0.33 O ATOM 923 CB ILE A 60 -13.010 -5.363 2.259 1.00 0.28 C ATOM 924 CG1 ILE A 60 -12.100 -5.227 3.481 1.00 0.29 C ATOM 925 CG2 ILE A 60 -14.150 -4.346 2.359 1.00 0.33 C ATOM 926 CD1 ILE A 60 -11.268 -3.949 3.361 1.00 0.27 C ATOM 0 H ILE A 60 -11.593 -7.304 1.646 1.00 0.23 H new ATOM 0 HA ILE A 60 -14.001 -7.027 3.189 1.00 0.27 H new ATOM 0 HB ILE A 60 -12.442 -5.172 1.348 1.00 0.28 H new ATOM 0 HG12 ILE A 60 -12.699 -5.199 4.392 1.00 0.29 H new ATOM 0 HG13 ILE A 60 -11.444 -6.094 3.557 1.00 0.29 H new ATOM 0 HG21 ILE A 60 -13.737 -3.338 2.390 1.00 0.33 H new ATOM 0 HG22 ILE A 60 -14.802 -4.444 1.491 1.00 0.33 H new ATOM 0 HG23 ILE A 60 -14.724 -4.531 3.267 1.00 0.33 H new ATOM 0 HD11 ILE A 60 -10.620 -3.853 4.232 1.00 0.27 H new ATOM 0 HD12 ILE A 60 -10.658 -3.995 2.459 1.00 0.27 H new ATOM 0 HD13 ILE A 60 -11.932 -3.086 3.306 1.00 0.27 H new ATOM 938 N LEU A 61 -14.315 -6.817 -0.095 1.00 0.25 N ATOM 939 CA LEU A 61 -15.341 -6.911 -1.169 1.00 0.30 C ATOM 940 C LEU A 61 -15.898 -8.336 -1.210 1.00 0.33 C ATOM 941 O LEU A 61 -17.079 -8.543 -1.391 1.00 0.46 O ATOM 942 CB LEU A 61 -14.709 -6.566 -2.526 1.00 0.29 C ATOM 943 CG LEU A 61 -14.364 -5.067 -2.597 1.00 0.32 C ATOM 944 CD1 LEU A 61 -13.653 -4.779 -3.926 1.00 1.15 C ATOM 945 CD2 LEU A 61 -15.645 -4.210 -2.501 1.00 1.27 C ATOM 0 H LEU A 61 -13.354 -6.704 -0.419 1.00 0.25 H new ATOM 0 HA LEU A 61 -16.147 -6.207 -0.963 1.00 0.30 H new ATOM 0 HB2 LEU A 61 -13.807 -7.160 -2.675 1.00 0.29 H new ATOM 0 HB3 LEU A 61 -15.397 -6.825 -3.330 1.00 0.29 H new ATOM 0 HG LEU A 61 -13.713 -4.812 -1.761 1.00 0.32 H new ATOM 0 HD11 LEU A 61 -13.405 -3.719 -3.984 1.00 1.15 H new ATOM 0 HD12 LEU A 61 -12.738 -5.369 -3.985 1.00 1.15 H new ATOM 0 HD13 LEU A 61 -14.310 -5.044 -4.755 1.00 1.15 H new ATOM 0 HD21 LEU A 61 -15.381 -3.154 -2.553 1.00 1.27 H new ATOM 0 HD22 LEU A 61 -16.312 -4.458 -3.327 1.00 1.27 H new ATOM 0 HD23 LEU A 61 -16.148 -4.412 -1.555 1.00 1.27 H new ATOM 957 N ALA A 62 -15.058 -9.320 -1.041 1.00 0.28 N ATOM 958 CA ALA A 62 -15.547 -10.728 -1.070 1.00 0.32 C ATOM 959 C ALA A 62 -16.527 -10.954 0.085 1.00 0.37 C ATOM 960 O ALA A 62 -17.370 -11.828 0.032 1.00 0.48 O ATOM 961 CB ALA A 62 -14.362 -11.685 -0.925 1.00 0.31 C ATOM 0 H ALA A 62 -14.056 -9.211 -0.884 1.00 0.28 H new ATOM 0 HA ALA A 62 -16.052 -10.915 -2.018 1.00 0.32 H new ATOM 0 HB1 ALA A 62 -14.721 -12.714 -0.946 1.00 0.31 H new ATOM 0 HB2 ALA A 62 -13.664 -11.527 -1.747 1.00 0.31 H new ATOM 0 HB3 ALA A 62 -13.856 -11.497 0.022 1.00 0.31 H new ATOM 967 N ALA A 63 -16.424 -10.176 1.127 1.00 0.41 N ATOM 968 CA ALA A 63 -17.348 -10.348 2.282 1.00 0.50 C ATOM 969 C ALA A 63 -18.791 -10.148 1.815 1.00 0.70 C ATOM 970 O ALA A 63 -19.699 -10.801 2.289 1.00 1.15 O ATOM 971 CB ALA A 63 -17.013 -9.318 3.364 1.00 0.72 C ATOM 0 H ALA A 63 -15.739 -9.427 1.228 1.00 0.41 H new ATOM 0 HA ALA A 63 -17.234 -11.352 2.691 1.00 0.50 H new ATOM 0 HB1 ALA A 63 -17.690 -9.445 4.209 1.00 0.72 H new ATOM 0 HB2 ALA A 63 -15.985 -9.462 3.698 1.00 0.72 H new ATOM 0 HB3 ALA A 63 -17.125 -8.313 2.957 1.00 0.72 H new ATOM 977 N LEU A 64 -19.006 -9.240 0.893 1.00 0.59 N ATOM 978 CA LEU A 64 -20.390 -8.971 0.381 1.00 0.85 C ATOM 979 C LEU A 64 -20.382 -9.083 -1.157 1.00 1.41 C ATOM 980 O LEU A 64 -19.378 -8.810 -1.781 1.00 1.62 O ATOM 981 CB LEU A 64 -20.788 -7.548 0.811 1.00 0.65 C ATOM 982 CG LEU A 64 -19.986 -6.495 0.007 1.00 0.53 C ATOM 983 CD1 LEU A 64 -20.620 -6.236 -1.390 1.00 0.68 C ATOM 984 CD2 LEU A 64 -19.931 -5.184 0.812 1.00 0.84 C ATOM 0 H LEU A 64 -18.276 -8.668 0.469 1.00 0.59 H new ATOM 0 HA LEU A 64 -21.105 -9.689 0.783 1.00 0.85 H new ATOM 0 HB2 LEU A 64 -21.856 -7.399 0.653 1.00 0.65 H new ATOM 0 HB3 LEU A 64 -20.603 -7.419 1.877 1.00 0.65 H new ATOM 0 HG LEU A 64 -18.979 -6.878 -0.156 1.00 0.53 H new ATOM 0 HD11 LEU A 64 -20.030 -5.492 -1.925 1.00 0.68 H new ATOM 0 HD12 LEU A 64 -20.636 -7.165 -1.960 1.00 0.68 H new ATOM 0 HD13 LEU A 64 -21.639 -5.870 -1.265 1.00 0.68 H new ATOM 0 HD21 LEU A 64 -19.368 -4.437 0.253 1.00 0.84 H new ATOM 0 HD22 LEU A 64 -20.944 -4.820 0.985 1.00 0.84 H new ATOM 0 HD23 LEU A 64 -19.442 -5.365 1.769 1.00 0.84 H new ATOM 996 N PRO A 65 -21.475 -9.477 -1.781 1.00 1.85 N ATOM 997 CA PRO A 65 -21.496 -9.591 -3.270 1.00 2.43 C ATOM 998 C PRO A 65 -21.224 -8.242 -3.951 1.00 2.62 C ATOM 999 O PRO A 65 -22.127 -7.421 -3.977 1.00 2.81 O ATOM 1000 CB PRO A 65 -22.928 -10.094 -3.550 1.00 2.89 C ATOM 1001 CG PRO A 65 -23.736 -9.995 -2.244 1.00 2.69 C ATOM 1002 CD PRO A 65 -22.744 -9.833 -1.080 1.00 2.01 C ATOM 1003 OXT PRO A 65 -20.118 -8.056 -4.434 1.00 3.05 O ATOM 0 HA PRO A 65 -20.722 -10.252 -3.661 1.00 2.43 H new ATOM 0 HB2 PRO A 65 -23.395 -9.496 -4.332 1.00 2.89 H new ATOM 0 HB3 PRO A 65 -22.906 -11.124 -3.907 1.00 2.89 H new ATOM 0 HG2 PRO A 65 -24.419 -9.147 -2.283 1.00 2.69 H new ATOM 0 HG3 PRO A 65 -24.344 -10.888 -2.104 1.00 2.69 H new ATOM 0 HD2 PRO A 65 -23.057 -9.052 -0.386 1.00 2.01 H new ATOM 0 HD3 PRO A 65 -22.644 -10.752 -0.502 1.00 2.01 H new TER 1011 PRO A 65