USER MOD reduce.3.24.130724 H: found=0, std=0, add=511, rem=0, adj=12 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 -154:sc= -0.185 (180deg=-1.27) USER MOD Single : A 1 MET N :NH3+ -168:sc= -0.143 (180deg=-0.495) USER MOD Single : A 2 LYS NZ :NH3+ -137:sc= -0.253 (180deg=-1.34!) USER MOD Single : A 8 ASN : amide:sc= -1.76 K(o=-1.8,f=-0.64!) USER MOD Single : A 10 GLN : amide:sc= -0.997! C(o=-1!,f=-5.9!) USER MOD Single : A 11 HIS : no HD1:sc= -3.05 K(o=-3,f=-6!) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 130:sc= 1.04 (180deg=-0.569!) USER MOD Single : A 28 ASN : amide:sc= -2.47 K(o=-2.5,f=-0.45) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 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+ -135:sc= -0.243 (180deg=-1.31!) USER MOD Single : A 42 ASN : amide:sc= -5.61! C(o=-5.6!,f=-15!) USER MOD Single : A 45 ASN : amide:sc= -1.75! K(o=-1.8!,f=-0.022) USER MOD Single : A 46 ASN : amide:sc= -0.0516 K(o=-0.052,f=-1.8!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.125 USER MOD Single : A 54 LYS NZ :NH3+ 144:sc= -0.163 (180deg=-0.995) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 19.142 13.921 -25.735 1.00 21.30 N ATOM 2 CA MET A 1 17.842 14.577 -25.423 1.00 21.02 C ATOM 3 C MET A 1 16.768 14.006 -26.348 1.00 20.37 C ATOM 4 O MET A 1 15.585 14.132 -26.101 1.00 20.39 O ATOM 5 CB MET A 1 17.950 16.084 -25.668 1.00 21.44 C ATOM 6 CG MET A 1 18.892 16.716 -24.642 1.00 21.88 C ATOM 7 SD MET A 1 18.943 18.513 -24.893 1.00 22.37 S ATOM 8 CE MET A 1 19.689 18.516 -26.544 1.00 22.77 C ATOM 0 H1 MET A 1 19.832 14.145 -24.989 1.00 21.30 H new ATOM 0 H2 MET A 1 19.008 12.891 -25.785 1.00 21.30 H new ATOM 0 H3 MET A 1 19.496 14.269 -26.649 1.00 21.30 H new ATOM 0 HA MET A 1 17.584 14.395 -24.380 1.00 21.02 H new ATOM 0 HB2 MET A 1 18.319 16.271 -26.676 1.00 21.44 H new ATOM 0 HB3 MET A 1 16.964 16.543 -25.599 1.00 21.44 H new ATOM 0 HG2 MET A 1 18.552 16.489 -23.632 1.00 21.88 H new ATOM 0 HG3 MET A 1 19.892 16.295 -24.744 1.00 21.88 H new ATOM 0 HE1 MET A 1 20.222 19.454 -26.701 1.00 22.77 H new ATOM 0 HE2 MET A 1 20.387 17.683 -26.629 1.00 22.77 H new ATOM 0 HE3 MET A 1 18.907 18.413 -27.297 1.00 22.77 H new ATOM 20 N LYS A 2 17.178 13.390 -27.421 1.00 19.90 N ATOM 21 CA LYS A 2 16.193 12.817 -28.378 1.00 19.38 C ATOM 22 C LYS A 2 15.350 11.755 -27.666 1.00 18.83 C ATOM 23 O LYS A 2 14.157 11.655 -27.874 1.00 18.89 O ATOM 24 CB LYS A 2 16.941 12.171 -29.548 1.00 19.49 C ATOM 25 CG LYS A 2 17.593 13.261 -30.409 1.00 19.58 C ATOM 26 CD LYS A 2 18.252 12.635 -31.650 1.00 19.81 C ATOM 27 CE LYS A 2 19.617 12.035 -31.287 1.00 19.99 C ATOM 28 NZ LYS A 2 20.484 13.085 -30.682 1.00 20.19 N ATOM 0 H LYS A 2 18.157 13.259 -27.677 1.00 19.90 H new ATOM 0 HA LYS A 2 15.543 13.608 -28.751 1.00 19.38 H new ATOM 0 HB2 LYS A 2 17.702 11.487 -29.173 1.00 19.49 H new ATOM 0 HB3 LYS A 2 16.252 11.581 -30.152 1.00 19.49 H new ATOM 0 HG2 LYS A 2 16.843 13.990 -30.715 1.00 19.58 H new ATOM 0 HG3 LYS A 2 18.339 13.799 -29.824 1.00 19.58 H new ATOM 0 HD2 LYS A 2 17.605 11.860 -32.061 1.00 19.81 H new ATOM 0 HD3 LYS A 2 18.375 13.392 -32.425 1.00 19.81 H new ATOM 0 HE2 LYS A 2 19.487 11.210 -30.587 1.00 19.99 H new ATOM 0 HE3 LYS A 2 20.093 11.626 -32.178 1.00 19.99 H new ATOM 0 HZ1 LYS A 2 21.445 13.009 -31.072 1.00 20.19 H new ATOM 0 HZ2 LYS A 2 20.095 14.025 -30.900 1.00 20.19 H new ATOM 0 HZ3 LYS A 2 20.518 12.955 -29.651 1.00 20.19 H new ATOM 42 N ALA A 3 15.969 10.960 -26.827 1.00 18.43 N ATOM 43 CA ALA A 3 15.226 9.889 -26.089 1.00 18.03 C ATOM 44 C ALA A 3 15.140 10.259 -24.606 1.00 17.59 C ATOM 45 O ALA A 3 15.972 10.979 -24.090 1.00 17.73 O ATOM 46 CB ALA A 3 15.984 8.565 -26.233 1.00 18.23 C ATOM 0 H ALA A 3 16.967 11.008 -26.620 1.00 18.43 H new ATOM 0 HA ALA A 3 14.221 9.789 -26.500 1.00 18.03 H new ATOM 0 HB1 ALA A 3 15.450 7.780 -25.698 1.00 18.23 H new ATOM 0 HB2 ALA A 3 16.057 8.301 -27.288 1.00 18.23 H new ATOM 0 HB3 ALA A 3 16.985 8.672 -25.815 1.00 18.23 H new ATOM 52 N ILE A 4 14.140 9.770 -23.915 1.00 17.22 N ATOM 53 CA ILE A 4 13.994 10.086 -22.457 1.00 16.95 C ATOM 54 C ILE A 4 14.466 8.890 -21.636 1.00 16.44 C ATOM 55 O ILE A 4 14.246 7.749 -21.994 1.00 16.48 O ATOM 56 CB ILE A 4 12.525 10.372 -22.123 1.00 17.23 C ATOM 57 CG1 ILE A 4 12.003 11.499 -23.027 1.00 17.55 C ATOM 58 CG2 ILE A 4 12.409 10.814 -20.659 1.00 17.35 C ATOM 59 CD1 ILE A 4 11.817 11.011 -24.476 1.00 17.72 C ATOM 0 H ILE A 4 13.415 9.163 -24.298 1.00 17.22 H new ATOM 0 HA ILE A 4 14.594 10.965 -22.221 1.00 16.95 H new ATOM 0 HB ILE A 4 11.938 9.468 -22.284 1.00 17.23 H new ATOM 0 HG12 ILE A 4 11.053 11.868 -22.640 1.00 17.55 H new ATOM 0 HG13 ILE A 4 12.701 12.336 -23.009 1.00 17.55 H new ATOM 0 HG21 ILE A 4 11.365 11.017 -20.422 1.00 17.35 H new ATOM 0 HG22 ILE A 4 12.781 10.022 -20.009 1.00 17.35 H new ATOM 0 HG23 ILE A 4 12.999 11.717 -20.504 1.00 17.35 H new ATOM 0 HD11 ILE A 4 11.447 11.831 -25.091 1.00 17.72 H new ATOM 0 HD12 ILE A 4 12.773 10.665 -24.869 1.00 17.72 H new ATOM 0 HD13 ILE A 4 11.099 10.191 -24.494 1.00 17.72 H new ATOM 71 N PHE A 5 15.111 9.142 -20.533 1.00 16.11 N ATOM 72 CA PHE A 5 15.594 8.024 -19.683 1.00 15.78 C ATOM 73 C PHE A 5 14.445 7.041 -19.440 1.00 15.39 C ATOM 74 O PHE A 5 13.370 7.414 -19.010 1.00 15.53 O ATOM 75 CB PHE A 5 16.081 8.592 -18.349 1.00 15.91 C ATOM 76 CG PHE A 5 16.577 7.475 -17.464 1.00 16.27 C ATOM 77 CD1 PHE A 5 15.675 6.772 -16.660 1.00 16.49 C ATOM 78 CD2 PHE A 5 17.937 7.142 -17.449 1.00 16.55 C ATOM 79 CE1 PHE A 5 16.130 5.736 -15.837 1.00 16.98 C ATOM 80 CE2 PHE A 5 18.394 6.106 -16.627 1.00 17.03 C ATOM 81 CZ PHE A 5 17.490 5.403 -15.820 1.00 17.24 C ATOM 0 H PHE A 5 15.324 10.076 -20.184 1.00 16.11 H new ATOM 0 HA PHE A 5 16.413 7.502 -20.179 1.00 15.78 H new ATOM 0 HB2 PHE A 5 16.880 9.313 -18.521 1.00 15.91 H new ATOM 0 HB3 PHE A 5 15.270 9.127 -17.854 1.00 15.91 H new ATOM 0 HD1 PHE A 5 14.626 7.029 -16.674 1.00 16.49 H new ATOM 0 HD2 PHE A 5 18.633 7.685 -18.072 1.00 16.55 H new ATOM 0 HE1 PHE A 5 15.433 5.194 -15.215 1.00 16.98 H new ATOM 0 HE2 PHE A 5 19.443 5.849 -16.615 1.00 17.03 H new ATOM 0 HZ PHE A 5 17.842 4.604 -15.185 1.00 17.24 H new ATOM 91 N VAL A 6 14.671 5.787 -19.719 1.00 15.04 N ATOM 92 CA VAL A 6 13.612 4.758 -19.517 1.00 14.79 C ATOM 93 C VAL A 6 14.267 3.377 -19.601 1.00 14.55 C ATOM 94 O VAL A 6 13.702 2.432 -20.112 1.00 14.58 O ATOM 95 CB VAL A 6 12.534 4.908 -20.606 1.00 14.86 C ATOM 96 CG1 VAL A 6 13.145 4.625 -21.984 1.00 15.09 C ATOM 97 CG2 VAL A 6 11.364 3.932 -20.344 1.00 15.03 C ATOM 0 H VAL A 6 15.554 5.427 -20.082 1.00 15.04 H new ATOM 0 HA VAL A 6 13.137 4.882 -18.544 1.00 14.79 H new ATOM 0 HB VAL A 6 12.152 5.929 -20.582 1.00 14.86 H new ATOM 0 HG11 VAL A 6 12.378 4.732 -22.751 1.00 15.09 H new ATOM 0 HG12 VAL A 6 13.952 5.332 -22.176 1.00 15.09 H new ATOM 0 HG13 VAL A 6 13.540 3.609 -22.005 1.00 15.09 H new ATOM 0 HG21 VAL A 6 10.610 4.050 -21.122 1.00 15.03 H new ATOM 0 HG22 VAL A 6 11.736 2.908 -20.352 1.00 15.03 H new ATOM 0 HG23 VAL A 6 10.920 4.149 -19.373 1.00 15.03 H new ATOM 107 N LEU A 7 15.469 3.259 -19.103 1.00 14.47 N ATOM 108 CA LEU A 7 16.176 1.948 -19.155 1.00 14.40 C ATOM 109 C LEU A 7 15.435 0.938 -18.278 1.00 13.90 C ATOM 110 O LEU A 7 14.691 1.301 -17.388 1.00 13.91 O ATOM 111 CB LEU A 7 17.614 2.110 -18.648 1.00 14.97 C ATOM 112 CG LEU A 7 18.373 3.119 -19.522 1.00 15.35 C ATOM 113 CD1 LEU A 7 19.789 3.302 -18.962 1.00 15.68 C ATOM 114 CD2 LEU A 7 18.453 2.606 -20.972 1.00 15.83 C ATOM 0 H LEU A 7 15.992 4.016 -18.662 1.00 14.47 H new ATOM 0 HA LEU A 7 16.199 1.592 -20.185 1.00 14.40 H new ATOM 0 HB2 LEU A 7 17.606 2.449 -17.612 1.00 14.97 H new ATOM 0 HB3 LEU A 7 18.124 1.147 -18.665 1.00 14.97 H new ATOM 0 HG LEU A 7 17.846 4.073 -19.514 1.00 15.35 H new ATOM 0 HD11 LEU A 7 20.334 4.017 -19.578 1.00 15.68 H new ATOM 0 HD12 LEU A 7 19.730 3.674 -17.939 1.00 15.68 H new ATOM 0 HD13 LEU A 7 20.310 2.345 -18.971 1.00 15.68 H new ATOM 0 HD21 LEU A 7 18.993 3.328 -21.584 1.00 15.83 H new ATOM 0 HD22 LEU A 7 18.977 1.650 -20.991 1.00 15.83 H new ATOM 0 HD23 LEU A 7 17.446 2.476 -21.368 1.00 15.83 H new ATOM 126 N ASN A 8 15.624 -0.328 -18.531 1.00 13.63 N ATOM 127 CA ASN A 8 14.923 -1.359 -17.720 1.00 13.29 C ATOM 128 C ASN A 8 15.495 -1.373 -16.303 1.00 12.82 C ATOM 129 O ASN A 8 16.079 -2.345 -15.866 1.00 12.84 O ATOM 130 CB ASN A 8 15.113 -2.735 -18.363 1.00 13.45 C ATOM 131 CG ASN A 8 16.607 -3.019 -18.548 1.00 13.72 C ATOM 132 OD1 ASN A 8 17.255 -3.523 -17.654 1.00 13.79 O ATOM 133 ND2 ASN A 8 17.181 -2.716 -19.680 1.00 14.06 N ATOM 0 H ASN A 8 16.233 -0.691 -19.264 1.00 13.63 H new ATOM 0 HA ASN A 8 13.860 -1.123 -17.678 1.00 13.29 H new ATOM 0 HB2 ASN A 8 14.662 -3.505 -17.737 1.00 13.45 H new ATOM 0 HB3 ASN A 8 14.605 -2.770 -19.327 1.00 13.45 H new ATOM 0 HD21 ASN A 8 18.175 -2.903 -19.814 1.00 14.06 H new ATOM 0 HD22 ASN A 8 16.636 -2.292 -20.431 1.00 14.06 H new ATOM 140 N ALA A 9 15.327 -0.300 -15.578 1.00 12.57 N ATOM 141 CA ALA A 9 15.855 -0.250 -14.186 1.00 12.28 C ATOM 142 C ALA A 9 15.106 0.828 -13.400 1.00 11.84 C ATOM 143 O ALA A 9 14.503 1.717 -13.969 1.00 12.04 O ATOM 144 CB ALA A 9 17.349 0.079 -14.221 1.00 12.50 C ATOM 0 H ALA A 9 14.847 0.544 -15.890 1.00 12.57 H new ATOM 0 HA ALA A 9 15.711 -1.216 -13.702 1.00 12.28 H new ATOM 0 HB1 ALA A 9 17.737 0.116 -13.203 1.00 12.50 H new ATOM 0 HB2 ALA A 9 17.878 -0.690 -14.783 1.00 12.50 H new ATOM 0 HB3 ALA A 9 17.497 1.046 -14.701 1.00 12.50 H new ATOM 150 N GLN A 10 15.136 0.756 -12.093 1.00 11.42 N ATOM 151 CA GLN A 10 14.424 1.773 -11.257 1.00 11.16 C ATOM 152 C GLN A 10 15.428 2.809 -10.740 1.00 10.55 C ATOM 153 O GLN A 10 16.515 2.479 -10.308 1.00 10.61 O ATOM 154 CB GLN A 10 13.742 1.073 -10.072 1.00 11.48 C ATOM 155 CG GLN A 10 14.710 0.077 -9.411 1.00 11.97 C ATOM 156 CD GLN A 10 14.705 -1.251 -10.177 1.00 12.47 C ATOM 157 OE1 GLN A 10 15.530 -1.470 -11.041 1.00 12.70 O ATOM 158 NE2 GLN A 10 13.803 -2.152 -9.893 1.00 12.83 N ATOM 0 H GLN A 10 15.625 0.033 -11.566 1.00 11.42 H new ATOM 0 HA GLN A 10 13.670 2.277 -11.861 1.00 11.16 H new ATOM 0 HB2 GLN A 10 13.417 1.814 -9.341 1.00 11.48 H new ATOM 0 HB3 GLN A 10 12.849 0.550 -10.415 1.00 11.48 H new ATOM 0 HG2 GLN A 10 15.717 0.493 -9.396 1.00 11.97 H new ATOM 0 HG3 GLN A 10 14.419 -0.091 -8.374 1.00 11.97 H new ATOM 0 HE21 GLN A 10 13.110 -1.969 -9.167 1.00 12.83 H new ATOM 0 HE22 GLN A 10 13.792 -3.039 -10.397 1.00 12.83 H new ATOM 167 N HIS A 11 15.072 4.064 -10.784 1.00 10.17 N ATOM 168 CA HIS A 11 16.002 5.122 -10.296 1.00 9.77 C ATOM 169 C HIS A 11 16.276 4.904 -8.807 1.00 9.16 C ATOM 170 O HIS A 11 17.383 5.070 -8.337 1.00 9.25 O ATOM 171 CB HIS A 11 15.372 6.501 -10.511 1.00 10.00 C ATOM 172 CG HIS A 11 14.078 6.593 -9.751 1.00 10.27 C ATOM 173 ND1 HIS A 11 12.947 5.886 -10.129 1.00 10.64 N ATOM 174 CD2 HIS A 11 13.719 7.309 -8.636 1.00 10.49 C ATOM 175 CE1 HIS A 11 11.970 6.189 -9.255 1.00 11.05 C ATOM 176 NE2 HIS A 11 12.386 7.053 -8.325 1.00 10.99 N ATOM 0 H HIS A 11 14.177 4.403 -11.137 1.00 10.17 H new ATOM 0 HA HIS A 11 16.939 5.069 -10.850 1.00 9.77 H new ATOM 0 HB2 HIS A 11 16.057 7.280 -10.177 1.00 10.00 H new ATOM 0 HB3 HIS A 11 15.193 6.668 -11.573 1.00 10.00 H new ATOM 0 HD2 HIS A 11 14.371 7.970 -8.084 1.00 10.49 H new ATOM 0 HE1 HIS A 11 10.970 5.783 -9.300 1.00 11.05 H new ATOM 0 HE2 HIS A 11 11.844 7.442 -7.553 1.00 10.99 H new ATOM 184 N ASP A 12 15.271 4.533 -8.062 1.00 8.78 N ATOM 185 CA ASP A 12 15.467 4.301 -6.604 1.00 8.41 C ATOM 186 C ASP A 12 16.173 2.961 -6.392 1.00 7.70 C ATOM 187 O ASP A 12 15.901 1.991 -7.070 1.00 7.84 O ATOM 188 CB ASP A 12 14.107 4.269 -5.906 1.00 8.97 C ATOM 189 CG ASP A 12 13.499 5.673 -5.904 1.00 9.57 C ATOM 190 OD1 ASP A 12 14.248 6.620 -6.075 1.00 10.08 O ATOM 191 OD2 ASP A 12 12.295 5.775 -5.733 1.00 9.72 O ATOM 0 H ASP A 12 14.321 4.380 -8.401 1.00 8.78 H new ATOM 0 HA ASP A 12 16.074 5.105 -6.188 1.00 8.41 H new ATOM 0 HB2 ASP A 12 13.441 3.574 -6.417 1.00 8.97 H new ATOM 0 HB3 ASP A 12 14.220 3.909 -4.883 1.00 8.97 H new ATOM 196 N GLU A 13 17.079 2.899 -5.455 1.00 7.20 N ATOM 197 CA GLU A 13 17.801 1.620 -5.201 1.00 6.75 C ATOM 198 C GLU A 13 16.811 0.553 -4.722 1.00 5.96 C ATOM 199 O GLU A 13 16.895 -0.599 -5.101 1.00 6.13 O ATOM 200 CB GLU A 13 18.868 1.841 -4.127 1.00 7.22 C ATOM 201 CG GLU A 13 19.998 2.706 -4.690 1.00 7.84 C ATOM 202 CD GLU A 13 20.770 1.916 -5.747 1.00 8.59 C ATOM 203 OE1 GLU A 13 21.309 0.876 -5.405 1.00 8.85 O ATOM 204 OE2 GLU A 13 20.808 2.363 -6.882 1.00 9.12 O ATOM 0 H GLU A 13 17.350 3.678 -4.855 1.00 7.20 H new ATOM 0 HA GLU A 13 18.274 1.285 -6.124 1.00 6.75 H new ATOM 0 HB2 GLU A 13 18.426 2.325 -3.256 1.00 7.22 H new ATOM 0 HB3 GLU A 13 19.264 0.882 -3.792 1.00 7.22 H new ATOM 0 HG2 GLU A 13 19.589 3.616 -5.128 1.00 7.84 H new ATOM 0 HG3 GLU A 13 20.669 3.012 -3.888 1.00 7.84 H new ATOM 211 N ALA A 14 15.877 0.925 -3.888 1.00 5.44 N ATOM 212 CA ALA A 14 14.890 -0.073 -3.386 1.00 4.96 C ATOM 213 C ALA A 14 13.965 -0.497 -4.527 1.00 4.30 C ATOM 214 O ALA A 14 13.524 0.315 -5.316 1.00 4.43 O ATOM 215 CB ALA A 14 14.059 0.552 -2.264 1.00 5.39 C ATOM 0 H ALA A 14 15.755 1.874 -3.534 1.00 5.44 H new ATOM 0 HA ALA A 14 15.420 -0.946 -3.005 1.00 4.96 H new ATOM 0 HB1 ALA A 14 13.337 -0.177 -1.896 1.00 5.39 H new ATOM 0 HB2 ALA A 14 14.717 0.854 -1.449 1.00 5.39 H new ATOM 0 HB3 ALA A 14 13.530 1.425 -2.646 1.00 5.39 H new ATOM 221 N VAL A 15 13.668 -1.764 -4.623 1.00 4.01 N ATOM 222 CA VAL A 15 12.773 -2.237 -5.714 1.00 3.71 C ATOM 223 C VAL A 15 11.400 -1.568 -5.579 1.00 3.13 C ATOM 224 O VAL A 15 10.787 -1.187 -6.556 1.00 3.40 O ATOM 225 CB VAL A 15 12.623 -3.761 -5.634 1.00 4.37 C ATOM 226 CG1 VAL A 15 11.796 -4.142 -4.403 1.00 5.04 C ATOM 227 CG2 VAL A 15 11.926 -4.268 -6.898 1.00 4.89 C ATOM 0 H VAL A 15 14.007 -2.491 -3.993 1.00 4.01 H new ATOM 0 HA VAL A 15 13.206 -1.972 -6.679 1.00 3.71 H new ATOM 0 HB VAL A 15 13.610 -4.216 -5.552 1.00 4.37 H new ATOM 0 HG11 VAL A 15 11.695 -5.226 -4.354 1.00 5.04 H new ATOM 0 HG12 VAL A 15 12.296 -3.783 -3.503 1.00 5.04 H new ATOM 0 HG13 VAL A 15 10.808 -3.688 -4.474 1.00 5.04 H new ATOM 0 HG21 VAL A 15 11.818 -5.351 -6.844 1.00 4.89 H new ATOM 0 HG22 VAL A 15 10.941 -3.809 -6.979 1.00 4.89 H new ATOM 0 HG23 VAL A 15 12.522 -4.006 -7.772 1.00 4.89 H new ATOM 237 N ASP A 16 10.914 -1.428 -4.367 1.00 2.67 N ATOM 238 CA ASP A 16 9.575 -0.791 -4.141 1.00 2.25 C ATOM 239 C ASP A 16 9.701 0.308 -3.080 1.00 2.00 C ATOM 240 O ASP A 16 10.403 0.159 -2.098 1.00 2.47 O ATOM 241 CB ASP A 16 8.591 -1.855 -3.647 1.00 2.31 C ATOM 242 CG ASP A 16 8.270 -2.827 -4.785 1.00 2.96 C ATOM 243 OD1 ASP A 16 8.453 -2.449 -5.930 1.00 3.42 O ATOM 244 OD2 ASP A 16 7.844 -3.931 -4.490 1.00 3.45 O ATOM 0 H ASP A 16 11.392 -1.730 -3.518 1.00 2.67 H new ATOM 0 HA ASP A 16 9.216 -0.356 -5.074 1.00 2.25 H new ATOM 0 HB2 ASP A 16 9.019 -2.396 -2.803 1.00 2.31 H new ATOM 0 HB3 ASP A 16 7.676 -1.381 -3.291 1.00 2.31 H new ATOM 249 N ALA A 17 9.025 1.410 -3.268 1.00 1.74 N ATOM 250 CA ALA A 17 9.101 2.516 -2.269 1.00 1.64 C ATOM 251 C ALA A 17 7.891 3.440 -2.436 1.00 1.34 C ATOM 252 O ALA A 17 6.919 3.346 -1.714 1.00 1.86 O ATOM 253 CB ALA A 17 10.384 3.320 -2.494 1.00 2.03 C ATOM 0 H ALA A 17 8.423 1.592 -4.071 1.00 1.74 H new ATOM 0 HA ALA A 17 9.104 2.095 -1.264 1.00 1.64 H new ATOM 0 HB1 ALA A 17 10.440 4.128 -1.764 1.00 2.03 H new ATOM 0 HB2 ALA A 17 11.248 2.666 -2.378 1.00 2.03 H new ATOM 0 HB3 ALA A 17 10.379 3.739 -3.500 1.00 2.03 H new ATOM 259 N ASN A 18 7.947 4.331 -3.388 1.00 0.95 N ATOM 260 CA ASN A 18 6.808 5.265 -3.615 1.00 0.77 C ATOM 261 C ASN A 18 5.546 4.462 -3.942 1.00 0.65 C ATOM 262 O ASN A 18 4.460 4.790 -3.506 1.00 1.18 O ATOM 263 CB ASN A 18 7.140 6.198 -4.781 1.00 0.93 C ATOM 264 CG ASN A 18 5.974 7.159 -5.017 1.00 1.47 C ATOM 265 OD1 ASN A 18 5.101 6.889 -5.818 1.00 2.24 O ATOM 266 ND2 ASN A 18 5.922 8.279 -4.349 1.00 1.85 N ATOM 0 H ASN A 18 8.737 4.453 -4.022 1.00 0.95 H new ATOM 0 HA ASN A 18 6.636 5.856 -2.715 1.00 0.77 H new ATOM 0 HB2 ASN A 18 8.049 6.759 -4.563 1.00 0.93 H new ATOM 0 HB3 ASN A 18 7.333 5.616 -5.682 1.00 0.93 H new ATOM 0 HD21 ASN A 18 5.149 8.927 -4.499 1.00 1.85 H new ATOM 0 HD22 ASN A 18 6.654 8.506 -3.676 1.00 1.85 H new ATOM 273 N SER A 19 5.680 3.423 -4.718 1.00 0.49 N ATOM 274 CA SER A 19 4.491 2.604 -5.090 1.00 0.33 C ATOM 275 C SER A 19 3.782 2.098 -3.830 1.00 0.29 C ATOM 276 O SER A 19 2.581 1.909 -3.821 1.00 0.28 O ATOM 277 CB SER A 19 4.943 1.408 -5.927 1.00 0.41 C ATOM 278 OG SER A 19 5.687 0.517 -5.107 1.00 0.80 O ATOM 0 H SER A 19 6.565 3.104 -5.112 1.00 0.49 H new ATOM 0 HA SER A 19 3.800 3.221 -5.664 1.00 0.33 H new ATOM 0 HB2 SER A 19 4.078 0.896 -6.348 1.00 0.41 H new ATOM 0 HB3 SER A 19 5.553 1.745 -6.765 1.00 0.41 H new ATOM 0 HG SER A 19 5.977 -0.253 -5.640 1.00 0.80 H new ATOM 284 N LEU A 20 4.506 1.870 -2.769 1.00 0.31 N ATOM 285 CA LEU A 20 3.858 1.370 -1.522 1.00 0.32 C ATOM 286 C LEU A 20 2.812 2.381 -1.048 1.00 0.25 C ATOM 287 O LEU A 20 1.689 2.030 -0.751 1.00 0.23 O ATOM 288 CB LEU A 20 4.924 1.171 -0.435 1.00 0.41 C ATOM 289 CG LEU A 20 4.273 0.730 0.888 1.00 0.45 C ATOM 290 CD1 LEU A 20 3.506 -0.586 0.689 1.00 0.99 C ATOM 291 CD2 LEU A 20 5.372 0.525 1.937 1.00 1.09 C ATOM 0 H LEU A 20 5.515 2.007 -2.711 1.00 0.31 H new ATOM 0 HA LEU A 20 3.368 0.417 -1.722 1.00 0.32 H new ATOM 0 HB2 LEU A 20 5.646 0.421 -0.759 1.00 0.41 H new ATOM 0 HB3 LEU A 20 5.475 2.099 -0.284 1.00 0.41 H new ATOM 0 HG LEU A 20 3.574 1.498 1.221 1.00 0.45 H new ATOM 0 HD11 LEU A 20 3.050 -0.888 1.632 1.00 0.99 H new ATOM 0 HD12 LEU A 20 2.728 -0.444 -0.061 1.00 0.99 H new ATOM 0 HD13 LEU A 20 4.195 -1.362 0.355 1.00 0.99 H new ATOM 0 HD21 LEU A 20 4.922 0.212 2.879 1.00 1.09 H new ATOM 0 HD22 LEU A 20 6.065 -0.243 1.593 1.00 1.09 H new ATOM 0 HD23 LEU A 20 5.912 1.460 2.086 1.00 1.09 H new ATOM 303 N ALA A 21 3.173 3.630 -0.967 1.00 0.24 N ATOM 304 CA ALA A 21 2.198 4.651 -0.507 1.00 0.22 C ATOM 305 C ALA A 21 1.110 4.837 -1.571 1.00 0.18 C ATOM 306 O ALA A 21 -0.056 4.983 -1.261 1.00 0.19 O ATOM 307 CB ALA A 21 2.925 5.977 -0.273 1.00 0.27 C ATOM 0 H ALA A 21 4.100 3.986 -1.199 1.00 0.24 H new ATOM 0 HA ALA A 21 1.736 4.322 0.424 1.00 0.22 H new ATOM 0 HB1 ALA A 21 2.211 6.729 0.065 1.00 0.27 H new ATOM 0 HB2 ALA A 21 3.695 5.841 0.486 1.00 0.27 H new ATOM 0 HB3 ALA A 21 3.387 6.308 -1.203 1.00 0.27 H new ATOM 313 N GLU A 22 1.484 4.834 -2.821 1.00 0.18 N ATOM 314 CA GLU A 22 0.476 5.011 -3.906 1.00 0.19 C ATOM 315 C GLU A 22 -0.559 3.886 -3.839 1.00 0.18 C ATOM 316 O GLU A 22 -1.738 4.103 -4.037 1.00 0.21 O ATOM 317 CB GLU A 22 1.179 4.988 -5.265 1.00 0.24 C ATOM 318 CG GLU A 22 0.165 5.250 -6.379 1.00 0.50 C ATOM 319 CD GLU A 22 0.880 5.245 -7.731 1.00 0.68 C ATOM 320 OE1 GLU A 22 2.100 5.234 -7.733 1.00 1.15 O ATOM 321 OE2 GLU A 22 0.197 5.256 -8.742 1.00 1.27 O ATOM 0 H GLU A 22 2.446 4.716 -3.139 1.00 0.18 H new ATOM 0 HA GLU A 22 -0.029 5.968 -3.777 1.00 0.19 H new ATOM 0 HB2 GLU A 22 1.964 5.743 -5.291 1.00 0.24 H new ATOM 0 HB3 GLU A 22 1.660 4.022 -5.419 1.00 0.24 H new ATOM 0 HG2 GLU A 22 -0.613 4.487 -6.364 1.00 0.50 H new ATOM 0 HG3 GLU A 22 -0.327 6.209 -6.219 1.00 0.50 H new ATOM 328 N ALA A 23 -0.130 2.681 -3.570 1.00 0.18 N ATOM 329 CA ALA A 23 -1.094 1.547 -3.502 1.00 0.19 C ATOM 330 C ALA A 23 -2.173 1.870 -2.472 1.00 0.15 C ATOM 331 O ALA A 23 -3.344 1.631 -2.689 1.00 0.16 O ATOM 332 CB ALA A 23 -0.354 0.276 -3.081 1.00 0.23 C ATOM 0 H ALA A 23 0.844 2.435 -3.395 1.00 0.18 H new ATOM 0 HA ALA A 23 -1.552 1.394 -4.479 1.00 0.19 H new ATOM 0 HB1 ALA A 23 -1.058 -0.555 -3.031 1.00 0.23 H new ATOM 0 HB2 ALA A 23 0.424 0.049 -3.810 1.00 0.23 H new ATOM 0 HB3 ALA A 23 0.100 0.427 -2.102 1.00 0.23 H new ATOM 338 N LYS A 24 -1.792 2.421 -1.355 1.00 0.15 N ATOM 339 CA LYS A 24 -2.800 2.770 -0.321 1.00 0.18 C ATOM 340 C LYS A 24 -3.671 3.910 -0.851 1.00 0.19 C ATOM 341 O LYS A 24 -4.870 3.933 -0.658 1.00 0.26 O ATOM 342 CB LYS A 24 -2.086 3.219 0.955 1.00 0.22 C ATOM 343 CG LYS A 24 -1.344 2.029 1.567 1.00 0.21 C ATOM 344 CD LYS A 24 -0.630 2.478 2.842 1.00 0.27 C ATOM 345 CE LYS A 24 0.114 1.294 3.457 1.00 0.53 C ATOM 346 NZ LYS A 24 0.998 1.783 4.551 1.00 1.23 N ATOM 0 H LYS A 24 -0.826 2.644 -1.114 1.00 0.15 H new ATOM 0 HA LYS A 24 -3.421 1.903 -0.096 1.00 0.18 H new ATOM 0 HB2 LYS A 24 -1.384 4.022 0.729 1.00 0.22 H new ATOM 0 HB3 LYS A 24 -2.808 3.617 1.668 1.00 0.22 H new ATOM 0 HG2 LYS A 24 -2.046 1.226 1.793 1.00 0.21 H new ATOM 0 HG3 LYS A 24 -0.622 1.630 0.854 1.00 0.21 H new ATOM 0 HD2 LYS A 24 0.070 3.282 2.615 1.00 0.27 H new ATOM 0 HD3 LYS A 24 -1.352 2.876 3.554 1.00 0.27 H new ATOM 0 HE2 LYS A 24 -0.597 0.566 3.847 1.00 0.53 H new ATOM 0 HE3 LYS A 24 0.706 0.786 2.695 1.00 0.53 H new ATOM 0 HZ1 LYS A 24 0.840 1.213 5.406 1.00 1.23 H new ATOM 0 HZ2 LYS A 24 1.992 1.699 4.258 1.00 1.23 H new ATOM 0 HZ3 LYS A 24 0.780 2.779 4.754 1.00 1.23 H new ATOM 360 N VAL A 25 -3.071 4.857 -1.523 1.00 0.19 N ATOM 361 CA VAL A 25 -3.857 5.998 -2.071 1.00 0.23 C ATOM 362 C VAL A 25 -4.829 5.481 -3.138 1.00 0.24 C ATOM 363 O VAL A 25 -6.006 5.778 -3.115 1.00 0.27 O ATOM 364 CB VAL A 25 -2.901 7.019 -2.698 1.00 0.27 C ATOM 365 CG1 VAL A 25 -3.696 8.077 -3.468 1.00 0.34 C ATOM 366 CG2 VAL A 25 -2.085 7.697 -1.594 1.00 0.29 C ATOM 0 H VAL A 25 -2.070 4.888 -1.715 1.00 0.19 H new ATOM 0 HA VAL A 25 -4.420 6.474 -1.268 1.00 0.23 H new ATOM 0 HB VAL A 25 -2.231 6.505 -3.387 1.00 0.27 H new ATOM 0 HG11 VAL A 25 -3.009 8.798 -3.910 1.00 0.34 H new ATOM 0 HG12 VAL A 25 -4.274 7.595 -4.257 1.00 0.34 H new ATOM 0 HG13 VAL A 25 -4.373 8.592 -2.786 1.00 0.34 H new ATOM 0 HG21 VAL A 25 -1.405 8.423 -2.038 1.00 0.29 H new ATOM 0 HG22 VAL A 25 -2.758 8.205 -0.904 1.00 0.29 H new ATOM 0 HG23 VAL A 25 -1.510 6.945 -1.053 1.00 0.29 H new ATOM 376 N LEU A 26 -4.342 4.709 -4.073 1.00 0.22 N ATOM 377 CA LEU A 26 -5.235 4.175 -5.142 1.00 0.25 C ATOM 378 C LEU A 26 -6.297 3.267 -4.519 1.00 0.23 C ATOM 379 O LEU A 26 -7.448 3.286 -4.905 1.00 0.28 O ATOM 380 CB LEU A 26 -4.403 3.371 -6.146 1.00 0.26 C ATOM 381 CG LEU A 26 -3.504 4.310 -6.964 1.00 0.31 C ATOM 382 CD1 LEU A 26 -2.541 3.467 -7.808 1.00 0.73 C ATOM 383 CD2 LEU A 26 -4.355 5.211 -7.885 1.00 0.78 C ATOM 0 H LEU A 26 -3.365 4.425 -4.142 1.00 0.22 H new ATOM 0 HA LEU A 26 -5.723 5.005 -5.653 1.00 0.25 H new ATOM 0 HB2 LEU A 26 -3.792 2.639 -5.619 1.00 0.26 H new ATOM 0 HB3 LEU A 26 -5.062 2.815 -6.813 1.00 0.26 H new ATOM 0 HG LEU A 26 -2.941 4.950 -6.284 1.00 0.31 H new ATOM 0 HD11 LEU A 26 -1.898 4.125 -8.393 1.00 0.73 H new ATOM 0 HD12 LEU A 26 -1.927 2.849 -7.152 1.00 0.73 H new ATOM 0 HD13 LEU A 26 -3.112 2.826 -8.480 1.00 0.73 H new ATOM 0 HD21 LEU A 26 -3.700 5.869 -8.456 1.00 0.78 H new ATOM 0 HD22 LEU A 26 -4.932 4.590 -8.570 1.00 0.78 H new ATOM 0 HD23 LEU A 26 -5.034 5.811 -7.280 1.00 0.78 H new ATOM 395 N ALA A 27 -5.919 2.474 -3.556 1.00 0.18 N ATOM 396 CA ALA A 27 -6.906 1.567 -2.906 1.00 0.18 C ATOM 397 C ALA A 27 -7.953 2.403 -2.163 1.00 0.16 C ATOM 398 O ALA A 27 -9.122 2.073 -2.135 1.00 0.19 O ATOM 399 CB ALA A 27 -6.178 0.651 -1.920 1.00 0.20 C ATOM 0 H ALA A 27 -4.969 2.414 -3.190 1.00 0.18 H new ATOM 0 HA ALA A 27 -7.403 0.960 -3.663 1.00 0.18 H new ATOM 0 HB1 ALA A 27 -6.897 -0.014 -1.442 1.00 0.20 H new ATOM 0 HB2 ALA A 27 -5.435 0.059 -2.454 1.00 0.20 H new ATOM 0 HB3 ALA A 27 -5.682 1.255 -1.160 1.00 0.20 H new ATOM 405 N ASN A 28 -7.538 3.481 -1.556 1.00 0.15 N ATOM 406 CA ASN A 28 -8.500 4.342 -0.807 1.00 0.14 C ATOM 407 C ASN A 28 -9.586 4.862 -1.757 1.00 0.15 C ATOM 408 O ASN A 28 -10.746 4.941 -1.407 1.00 0.18 O ATOM 409 CB ASN A 28 -7.743 5.530 -0.208 1.00 0.15 C ATOM 410 CG ASN A 28 -8.613 6.213 0.847 1.00 0.17 C ATOM 411 OD1 ASN A 28 -9.485 6.994 0.523 1.00 0.22 O ATOM 412 ND2 ASN A 28 -8.404 5.954 2.109 1.00 0.22 N ATOM 0 H ASN A 28 -6.571 3.805 -1.546 1.00 0.15 H new ATOM 0 HA ASN A 28 -8.968 3.758 -0.015 1.00 0.14 H new ATOM 0 HB2 ASN A 28 -6.809 5.191 0.240 1.00 0.15 H new ATOM 0 HB3 ASN A 28 -7.480 6.240 -0.992 1.00 0.15 H new ATOM 0 HD21 ASN A 28 -8.973 6.408 2.824 1.00 0.22 H new ATOM 0 HD22 ASN A 28 -7.672 5.298 2.381 1.00 0.22 H new ATOM 419 N ARG A 29 -9.211 5.227 -2.952 1.00 0.18 N ATOM 420 CA ARG A 29 -10.205 5.756 -3.932 1.00 0.22 C ATOM 421 C ARG A 29 -11.285 4.708 -4.213 1.00 0.19 C ATOM 422 O ARG A 29 -12.449 5.027 -4.347 1.00 0.21 O ATOM 423 CB ARG A 29 -9.489 6.112 -5.237 1.00 0.31 C ATOM 424 CG ARG A 29 -8.607 7.342 -5.014 1.00 1.18 C ATOM 425 CD ARG A 29 -7.891 7.700 -6.318 1.00 1.46 C ATOM 426 NE ARG A 29 -7.028 8.895 -6.099 1.00 2.22 N ATOM 427 CZ ARG A 29 -6.103 9.201 -6.968 1.00 2.79 C ATOM 428 NH1 ARG A 29 -5.934 8.462 -8.030 1.00 2.95 N ATOM 429 NH2 ARG A 29 -5.346 10.247 -6.775 1.00 3.73 N ATOM 0 H ARG A 29 -8.252 5.182 -3.295 1.00 0.18 H new ATOM 0 HA ARG A 29 -10.677 6.645 -3.513 1.00 0.22 H new ATOM 0 HB2 ARG A 29 -8.882 5.271 -5.572 1.00 0.31 H new ATOM 0 HB3 ARG A 29 -10.218 6.311 -6.022 1.00 0.31 H new ATOM 0 HG2 ARG A 29 -9.215 8.182 -4.678 1.00 1.18 H new ATOM 0 HG3 ARG A 29 -7.877 7.142 -4.229 1.00 1.18 H new ATOM 0 HD2 ARG A 29 -7.286 6.859 -6.656 1.00 1.46 H new ATOM 0 HD3 ARG A 29 -8.621 7.904 -7.102 1.00 1.46 H new ATOM 0 HE ARG A 29 -7.160 9.474 -5.270 1.00 2.22 H new ATOM 0 HH11 ARG A 29 -6.525 7.645 -8.182 1.00 2.95 H new ATOM 0 HH12 ARG A 29 -5.211 8.702 -8.708 1.00 2.95 H new ATOM 0 HH21 ARG A 29 -5.477 10.825 -5.945 1.00 3.73 H new ATOM 0 HH22 ARG A 29 -4.623 10.486 -7.454 1.00 3.73 H new ATOM 443 N GLU A 30 -10.912 3.464 -4.320 1.00 0.21 N ATOM 444 CA GLU A 30 -11.922 2.408 -4.613 1.00 0.28 C ATOM 445 C GLU A 30 -12.979 2.379 -3.505 1.00 0.27 C ATOM 446 O GLU A 30 -14.154 2.218 -3.762 1.00 0.33 O ATOM 447 CB GLU A 30 -11.226 1.045 -4.687 1.00 0.37 C ATOM 448 CG GLU A 30 -10.357 0.977 -5.944 1.00 0.60 C ATOM 449 CD GLU A 30 -9.647 -0.377 -6.000 1.00 0.64 C ATOM 450 OE1 GLU A 30 -8.644 -0.526 -5.322 1.00 1.39 O ATOM 451 OE2 GLU A 30 -10.118 -1.243 -6.720 1.00 1.33 O ATOM 0 H GLU A 30 -9.953 3.132 -4.218 1.00 0.21 H new ATOM 0 HA GLU A 30 -12.405 2.626 -5.566 1.00 0.28 H new ATOM 0 HB2 GLU A 30 -10.612 0.891 -3.800 1.00 0.37 H new ATOM 0 HB3 GLU A 30 -11.969 0.247 -4.703 1.00 0.37 H new ATOM 0 HG2 GLU A 30 -10.973 1.114 -6.833 1.00 0.60 H new ATOM 0 HG3 GLU A 30 -9.624 1.784 -5.937 1.00 0.60 H new ATOM 458 N LEU A 31 -12.581 2.532 -2.274 1.00 0.23 N ATOM 459 CA LEU A 31 -13.583 2.508 -1.167 1.00 0.28 C ATOM 460 C LEU A 31 -14.583 3.633 -1.395 1.00 0.32 C ATOM 461 O LEU A 31 -15.783 3.439 -1.377 1.00 0.43 O ATOM 462 CB LEU A 31 -12.881 2.741 0.178 1.00 0.26 C ATOM 463 CG LEU A 31 -11.568 1.972 0.210 1.00 0.25 C ATOM 464 CD1 LEU A 31 -10.958 2.065 1.610 1.00 0.27 C ATOM 465 CD2 LEU A 31 -11.820 0.504 -0.146 1.00 0.33 C ATOM 0 H LEU A 31 -11.613 2.672 -1.985 1.00 0.23 H new ATOM 0 HA LEU A 31 -14.086 1.541 -1.151 1.00 0.28 H new ATOM 0 HB2 LEU A 31 -12.694 3.805 0.322 1.00 0.26 H new ATOM 0 HB3 LEU A 31 -13.524 2.416 0.996 1.00 0.26 H new ATOM 0 HG LEU A 31 -10.878 2.403 -0.516 1.00 0.25 H new ATOM 0 HD11 LEU A 31 -10.017 1.515 1.634 1.00 0.27 H new ATOM 0 HD12 LEU A 31 -10.773 3.110 1.858 1.00 0.27 H new ATOM 0 HD13 LEU A 31 -11.648 1.636 2.337 1.00 0.27 H new ATOM 0 HD21 LEU A 31 -10.878 -0.043 -0.122 1.00 0.33 H new ATOM 0 HD22 LEU A 31 -12.511 0.068 0.575 1.00 0.33 H new ATOM 0 HD23 LEU A 31 -12.251 0.441 -1.145 1.00 0.33 H new ATOM 477 N ASP A 32 -14.080 4.809 -1.622 1.00 0.28 N ATOM 478 CA ASP A 32 -14.966 5.968 -1.869 1.00 0.35 C ATOM 479 C ASP A 32 -15.814 5.674 -3.105 1.00 0.42 C ATOM 480 O ASP A 32 -16.993 5.964 -3.149 1.00 0.54 O ATOM 481 CB ASP A 32 -14.085 7.197 -2.102 1.00 0.38 C ATOM 482 CG ASP A 32 -13.590 7.755 -0.761 1.00 0.54 C ATOM 483 OD1 ASP A 32 -14.157 7.398 0.259 1.00 1.14 O ATOM 484 OD2 ASP A 32 -12.649 8.531 -0.778 1.00 1.12 O ATOM 0 H ASP A 32 -13.082 5.017 -1.647 1.00 0.28 H new ATOM 0 HA ASP A 32 -15.627 6.152 -1.022 1.00 0.35 H new ATOM 0 HB2 ASP A 32 -13.235 6.930 -2.730 1.00 0.38 H new ATOM 0 HB3 ASP A 32 -14.649 7.962 -2.637 1.00 0.38 H new ATOM 489 N LYS A 33 -15.222 5.075 -4.101 1.00 0.38 N ATOM 490 CA LYS A 33 -15.987 4.731 -5.330 1.00 0.46 C ATOM 491 C LYS A 33 -17.135 3.788 -4.954 1.00 0.42 C ATOM 492 O LYS A 33 -18.277 4.018 -5.296 1.00 0.46 O ATOM 493 CB LYS A 33 -15.036 4.036 -6.308 1.00 0.58 C ATOM 494 CG LYS A 33 -15.765 3.657 -7.595 1.00 0.74 C ATOM 495 CD LYS A 33 -14.773 2.968 -8.536 1.00 1.34 C ATOM 496 CE LYS A 33 -15.508 2.449 -9.769 1.00 1.16 C ATOM 497 NZ LYS A 33 -14.544 1.740 -10.658 1.00 1.78 N ATOM 0 H LYS A 33 -14.238 4.808 -4.116 1.00 0.38 H new ATOM 0 HA LYS A 33 -16.400 5.627 -5.793 1.00 0.46 H new ATOM 0 HB2 LYS A 33 -14.199 4.695 -6.539 1.00 0.58 H new ATOM 0 HB3 LYS A 33 -14.619 3.142 -5.844 1.00 0.58 H new ATOM 0 HG2 LYS A 33 -16.601 2.993 -7.374 1.00 0.74 H new ATOM 0 HG3 LYS A 33 -16.181 4.546 -8.069 1.00 0.74 H new ATOM 0 HD2 LYS A 33 -13.993 3.669 -8.834 1.00 1.34 H new ATOM 0 HD3 LYS A 33 -14.281 2.143 -8.020 1.00 1.34 H new ATOM 0 HE2 LYS A 33 -16.309 1.773 -9.471 1.00 1.16 H new ATOM 0 HE3 LYS A 33 -15.972 3.277 -10.305 1.00 1.16 H new ATOM 0 HZ1 LYS A 33 -15.043 1.386 -11.499 1.00 1.78 H new ATOM 0 HZ2 LYS A 33 -13.794 2.398 -10.952 1.00 1.78 H new ATOM 0 HZ3 LYS A 33 -14.121 0.941 -10.144 1.00 1.78 H new ATOM 511 N TYR A 34 -16.839 2.736 -4.234 1.00 0.36 N ATOM 512 CA TYR A 34 -17.912 1.788 -3.814 1.00 0.37 C ATOM 513 C TYR A 34 -18.804 2.450 -2.764 1.00 0.33 C ATOM 514 O TYR A 34 -20.008 2.284 -2.759 1.00 0.55 O ATOM 515 CB TYR A 34 -17.295 0.516 -3.225 1.00 0.40 C ATOM 516 CG TYR A 34 -16.628 -0.283 -4.323 1.00 0.59 C ATOM 517 CD1 TYR A 34 -17.400 -0.841 -5.351 1.00 1.03 C ATOM 518 CD2 TYR A 34 -15.239 -0.471 -4.313 1.00 1.10 C ATOM 519 CE1 TYR A 34 -16.784 -1.583 -6.366 1.00 1.16 C ATOM 520 CE2 TYR A 34 -14.626 -1.212 -5.327 1.00 1.25 C ATOM 521 CZ TYR A 34 -15.397 -1.768 -6.355 1.00 0.99 C ATOM 522 OH TYR A 34 -14.791 -2.500 -7.355 1.00 1.20 O ATOM 0 H TYR A 34 -15.900 2.493 -3.919 1.00 0.36 H new ATOM 0 HA TYR A 34 -18.508 1.525 -4.688 1.00 0.37 H new ATOM 0 HB2 TYR A 34 -16.566 0.776 -2.457 1.00 0.40 H new ATOM 0 HB3 TYR A 34 -18.066 -0.084 -2.743 1.00 0.40 H new ATOM 0 HD1 TYR A 34 -18.471 -0.699 -5.360 1.00 1.03 H new ATOM 0 HD2 TYR A 34 -14.642 -0.043 -3.521 1.00 1.10 H new ATOM 0 HE1 TYR A 34 -17.380 -2.013 -7.158 1.00 1.16 H new ATOM 0 HE2 TYR A 34 -13.556 -1.356 -5.318 1.00 1.25 H new ATOM 0 HH TYR A 34 -13.824 -2.531 -7.198 1.00 1.20 H new ATOM 532 N GLY A 35 -18.217 3.187 -1.857 1.00 0.24 N ATOM 533 CA GLY A 35 -19.018 3.850 -0.783 1.00 0.31 C ATOM 534 C GLY A 35 -19.077 2.932 0.441 1.00 0.31 C ATOM 535 O GLY A 35 -20.011 2.972 1.216 1.00 0.36 O ATOM 0 H GLY A 35 -17.213 3.359 -1.813 1.00 0.24 H new ATOM 0 HA2 GLY A 35 -18.568 4.806 -0.514 1.00 0.31 H new ATOM 0 HA3 GLY A 35 -20.025 4.062 -1.142 1.00 0.31 H new ATOM 539 N VAL A 36 -18.083 2.099 0.617 1.00 0.33 N ATOM 540 CA VAL A 36 -18.076 1.173 1.784 1.00 0.38 C ATOM 541 C VAL A 36 -17.869 1.968 3.077 1.00 0.42 C ATOM 542 O VAL A 36 -17.783 3.179 3.067 1.00 0.45 O ATOM 543 CB VAL A 36 -16.949 0.155 1.616 1.00 0.41 C ATOM 544 CG1 VAL A 36 -17.212 -0.696 0.372 1.00 0.71 C ATOM 545 CG2 VAL A 36 -15.613 0.884 1.459 1.00 0.66 C ATOM 0 H VAL A 36 -17.275 2.022 -0.000 1.00 0.33 H new ATOM 0 HA VAL A 36 -19.031 0.651 1.838 1.00 0.38 H new ATOM 0 HB VAL A 36 -16.909 -0.486 2.497 1.00 0.41 H new ATOM 0 HG11 VAL A 36 -16.408 -1.422 0.252 1.00 0.71 H new ATOM 0 HG12 VAL A 36 -18.161 -1.220 0.484 1.00 0.71 H new ATOM 0 HG13 VAL A 36 -17.254 -0.053 -0.507 1.00 0.71 H new ATOM 0 HG21 VAL A 36 -14.812 0.154 1.340 1.00 0.66 H new ATOM 0 HG22 VAL A 36 -15.651 1.528 0.581 1.00 0.66 H new ATOM 0 HG23 VAL A 36 -15.423 1.490 2.345 1.00 0.66 H new ATOM 555 N SER A 37 -17.798 1.291 4.192 1.00 0.55 N ATOM 556 CA SER A 37 -17.606 2.002 5.489 1.00 0.64 C ATOM 557 C SER A 37 -16.296 2.791 5.461 1.00 0.50 C ATOM 558 O SER A 37 -15.291 2.336 4.951 1.00 0.93 O ATOM 559 CB SER A 37 -17.563 0.986 6.630 1.00 0.96 C ATOM 560 OG SER A 37 -17.381 1.671 7.862 1.00 1.56 O ATOM 0 H SER A 37 -17.865 0.275 4.260 1.00 0.55 H new ATOM 0 HA SER A 37 -18.437 2.690 5.644 1.00 0.64 H new ATOM 0 HB2 SER A 37 -18.488 0.410 6.654 1.00 0.96 H new ATOM 0 HB3 SER A 37 -16.750 0.277 6.471 1.00 0.96 H new ATOM 0 HG SER A 37 -17.355 1.022 8.596 1.00 1.56 H new ATOM 566 N ASP A 38 -16.304 3.975 6.006 1.00 0.43 N ATOM 567 CA ASP A 38 -15.070 4.811 6.020 1.00 0.37 C ATOM 568 C ASP A 38 -14.037 4.206 6.975 1.00 0.54 C ATOM 569 O ASP A 38 -12.869 4.514 6.908 1.00 1.41 O ATOM 570 CB ASP A 38 -15.425 6.225 6.488 1.00 0.53 C ATOM 571 CG ASP A 38 -14.151 7.064 6.597 1.00 1.52 C ATOM 572 OD1 ASP A 38 -13.365 6.797 7.492 1.00 2.35 O ATOM 573 OD2 ASP A 38 -13.981 7.958 5.785 1.00 2.16 O ATOM 0 H ASP A 38 -17.119 4.403 6.446 1.00 0.43 H new ATOM 0 HA ASP A 38 -14.649 4.846 5.015 1.00 0.37 H new ATOM 0 HB2 ASP A 38 -16.118 6.688 5.786 1.00 0.53 H new ATOM 0 HB3 ASP A 38 -15.929 6.184 7.454 1.00 0.53 H new ATOM 578 N TYR A 39 -14.456 3.360 7.871 1.00 0.42 N ATOM 579 CA TYR A 39 -13.493 2.752 8.838 1.00 0.33 C ATOM 580 C TYR A 39 -12.403 1.962 8.096 1.00 0.25 C ATOM 581 O TYR A 39 -11.231 2.081 8.392 1.00 0.26 O ATOM 582 CB TYR A 39 -14.256 1.807 9.774 1.00 0.44 C ATOM 583 CG TYR A 39 -13.279 1.059 10.649 1.00 0.57 C ATOM 584 CD1 TYR A 39 -12.756 -0.164 10.213 1.00 1.19 C ATOM 585 CD2 TYR A 39 -12.892 1.585 11.886 1.00 1.35 C ATOM 586 CE1 TYR A 39 -11.847 -0.862 11.013 1.00 1.30 C ATOM 587 CE2 TYR A 39 -11.981 0.886 12.688 1.00 1.51 C ATOM 588 CZ TYR A 39 -11.459 -0.338 12.251 1.00 1.02 C ATOM 589 OH TYR A 39 -10.561 -1.027 13.041 1.00 1.27 O ATOM 0 H TYR A 39 -15.425 3.060 7.979 1.00 0.42 H new ATOM 0 HA TYR A 39 -13.016 3.548 9.410 1.00 0.33 H new ATOM 0 HB2 TYR A 39 -14.951 2.375 10.392 1.00 0.44 H new ATOM 0 HB3 TYR A 39 -14.850 1.103 9.191 1.00 0.44 H new ATOM 0 HD1 TYR A 39 -13.055 -0.569 9.257 1.00 1.19 H new ATOM 0 HD2 TYR A 39 -13.295 2.529 12.222 1.00 1.35 H new ATOM 0 HE1 TYR A 39 -11.444 -1.806 10.676 1.00 1.30 H new ATOM 0 HE2 TYR A 39 -11.681 1.291 13.643 1.00 1.51 H new ATOM 0 HH TYR A 39 -10.398 -0.524 13.866 1.00 1.27 H new ATOM 599 N TYR A 40 -12.779 1.138 7.160 1.00 0.25 N ATOM 600 CA TYR A 40 -11.767 0.317 6.426 1.00 0.23 C ATOM 601 C TYR A 40 -10.682 1.199 5.792 1.00 0.19 C ATOM 602 O TYR A 40 -9.611 0.724 5.473 1.00 0.19 O ATOM 603 CB TYR A 40 -12.461 -0.479 5.317 1.00 0.29 C ATOM 604 CG TYR A 40 -13.499 -1.410 5.911 1.00 0.29 C ATOM 605 CD1 TYR A 40 -13.105 -2.432 6.786 1.00 0.80 C ATOM 606 CD2 TYR A 40 -14.853 -1.254 5.585 1.00 0.66 C ATOM 607 CE1 TYR A 40 -14.064 -3.295 7.331 1.00 0.94 C ATOM 608 CE2 TYR A 40 -15.810 -2.117 6.132 1.00 0.76 C ATOM 609 CZ TYR A 40 -15.416 -3.137 7.005 1.00 0.70 C ATOM 610 OH TYR A 40 -16.360 -3.989 7.542 1.00 0.93 O ATOM 0 H TYR A 40 -13.746 0.994 6.868 1.00 0.25 H new ATOM 0 HA TYR A 40 -11.297 -0.354 7.145 1.00 0.23 H new ATOM 0 HB2 TYR A 40 -12.935 0.204 4.612 1.00 0.29 H new ATOM 0 HB3 TYR A 40 -11.724 -1.054 4.757 1.00 0.29 H new ATOM 0 HD1 TYR A 40 -12.062 -2.554 7.040 1.00 0.80 H new ATOM 0 HD2 TYR A 40 -15.158 -0.467 4.911 1.00 0.66 H new ATOM 0 HE1 TYR A 40 -13.760 -4.083 8.004 1.00 0.94 H new ATOM 0 HE2 TYR A 40 -16.853 -1.995 5.880 1.00 0.76 H new ATOM 0 HH TYR A 40 -17.249 -3.740 7.214 1.00 0.93 H new ATOM 620 N LYS A 41 -10.934 2.463 5.583 1.00 0.18 N ATOM 621 CA LYS A 41 -9.888 3.314 4.949 1.00 0.17 C ATOM 622 C LYS A 41 -8.734 3.513 5.932 1.00 0.16 C ATOM 623 O LYS A 41 -7.576 3.499 5.561 1.00 0.17 O ATOM 624 CB LYS A 41 -10.505 4.666 4.523 1.00 0.22 C ATOM 625 CG LYS A 41 -10.402 5.715 5.651 1.00 0.79 C ATOM 626 CD LYS A 41 -11.279 6.935 5.329 1.00 1.17 C ATOM 627 CE LYS A 41 -10.560 7.849 4.333 1.00 1.68 C ATOM 628 NZ LYS A 41 -9.263 8.298 4.915 1.00 2.14 N ATOM 0 H LYS A 41 -11.805 2.937 5.820 1.00 0.18 H new ATOM 0 HA LYS A 41 -9.498 2.826 4.056 1.00 0.17 H new ATOM 0 HB2 LYS A 41 -9.995 5.036 3.633 1.00 0.22 H new ATOM 0 HB3 LYS A 41 -11.551 4.521 4.254 1.00 0.22 H new ATOM 0 HG2 LYS A 41 -10.715 5.273 6.597 1.00 0.79 H new ATOM 0 HG3 LYS A 41 -9.365 6.027 5.773 1.00 0.79 H new ATOM 0 HD2 LYS A 41 -12.232 6.608 4.913 1.00 1.17 H new ATOM 0 HD3 LYS A 41 -11.502 7.484 6.244 1.00 1.17 H new ATOM 0 HE2 LYS A 41 -10.386 7.319 3.397 1.00 1.68 H new ATOM 0 HE3 LYS A 41 -11.184 8.712 4.099 1.00 1.68 H new ATOM 0 HZ1 LYS A 41 -9.145 9.319 4.754 1.00 2.14 H new ATOM 0 HZ2 LYS A 41 -9.256 8.106 5.937 1.00 2.14 H new ATOM 0 HZ3 LYS A 41 -8.482 7.783 4.460 1.00 2.14 H new ATOM 642 N ASN A 42 -9.042 3.704 7.182 1.00 0.19 N ATOM 643 CA ASN A 42 -7.966 3.910 8.182 1.00 0.21 C ATOM 644 C ASN A 42 -7.206 2.598 8.399 1.00 0.18 C ATOM 645 O ASN A 42 -6.043 2.595 8.749 1.00 0.19 O ATOM 646 CB ASN A 42 -8.573 4.397 9.502 1.00 0.25 C ATOM 647 CG ASN A 42 -9.573 3.366 10.030 1.00 0.32 C ATOM 648 OD1 ASN A 42 -9.341 2.177 9.952 1.00 1.12 O ATOM 649 ND2 ASN A 42 -10.689 3.777 10.568 1.00 1.16 N ATOM 0 H ASN A 42 -9.992 3.726 7.553 1.00 0.19 H new ATOM 0 HA ASN A 42 -7.270 4.664 7.816 1.00 0.21 H new ATOM 0 HB2 ASN A 42 -7.784 4.560 10.236 1.00 0.25 H new ATOM 0 HB3 ASN A 42 -9.071 5.355 9.351 1.00 0.25 H new ATOM 0 HD21 ASN A 42 -11.364 3.100 10.922 1.00 1.16 H new ATOM 0 HD22 ASN A 42 -10.886 4.776 10.634 1.00 1.16 H new ATOM 656 N LEU A 43 -7.854 1.483 8.192 1.00 0.16 N ATOM 657 CA LEU A 43 -7.167 0.175 8.385 1.00 0.16 C ATOM 658 C LEU A 43 -6.048 0.023 7.349 1.00 0.14 C ATOM 659 O LEU A 43 -4.970 -0.447 7.655 1.00 0.17 O ATOM 660 CB LEU A 43 -8.194 -0.954 8.229 1.00 0.17 C ATOM 661 CG LEU A 43 -7.527 -2.325 8.421 1.00 0.20 C ATOM 662 CD1 LEU A 43 -6.901 -2.428 9.822 1.00 0.63 C ATOM 663 CD2 LEU A 43 -8.589 -3.420 8.256 1.00 0.63 C ATOM 0 H LEU A 43 -8.829 1.422 7.898 1.00 0.16 H new ATOM 0 HA LEU A 43 -6.727 0.128 9.381 1.00 0.16 H new ATOM 0 HB2 LEU A 43 -8.994 -0.828 8.958 1.00 0.17 H new ATOM 0 HB3 LEU A 43 -8.652 -0.902 7.241 1.00 0.17 H new ATOM 0 HG LEU A 43 -6.739 -2.447 7.678 1.00 0.20 H new ATOM 0 HD11 LEU A 43 -6.433 -3.405 9.941 1.00 0.63 H new ATOM 0 HD12 LEU A 43 -6.149 -1.649 9.943 1.00 0.63 H new ATOM 0 HD13 LEU A 43 -7.677 -2.303 10.577 1.00 0.63 H new ATOM 0 HD21 LEU A 43 -8.127 -4.398 8.390 1.00 0.63 H new ATOM 0 HD22 LEU A 43 -9.372 -3.283 9.002 1.00 0.63 H new ATOM 0 HD23 LEU A 43 -9.024 -3.358 7.258 1.00 0.63 H new ATOM 675 N ILE A 44 -6.286 0.434 6.132 1.00 0.13 N ATOM 676 CA ILE A 44 -5.223 0.330 5.090 1.00 0.13 C ATOM 677 C ILE A 44 -4.032 1.185 5.506 1.00 0.14 C ATOM 678 O ILE A 44 -2.889 0.802 5.351 1.00 0.15 O ATOM 679 CB ILE A 44 -5.780 0.812 3.751 1.00 0.16 C ATOM 680 CG1 ILE A 44 -6.800 -0.212 3.255 1.00 0.33 C ATOM 681 CG2 ILE A 44 -4.649 0.946 2.729 1.00 0.14 C ATOM 682 CD1 ILE A 44 -7.589 0.349 2.073 1.00 0.38 C ATOM 0 H ILE A 44 -7.168 0.836 5.815 1.00 0.13 H new ATOM 0 HA ILE A 44 -4.900 -0.706 4.986 1.00 0.13 H new ATOM 0 HB ILE A 44 -6.253 1.786 3.877 1.00 0.16 H new ATOM 0 HG12 ILE A 44 -6.290 -1.128 2.957 1.00 0.33 H new ATOM 0 HG13 ILE A 44 -7.482 -0.476 4.063 1.00 0.33 H new ATOM 0 HG21 ILE A 44 -5.057 1.290 1.778 1.00 0.14 H new ATOM 0 HG22 ILE A 44 -3.915 1.666 3.091 1.00 0.14 H new ATOM 0 HG23 ILE A 44 -4.169 -0.022 2.589 1.00 0.14 H new ATOM 0 HD11 ILE A 44 -8.311 -0.393 1.732 1.00 0.38 H new ATOM 0 HD12 ILE A 44 -8.115 1.252 2.383 1.00 0.38 H new ATOM 0 HD13 ILE A 44 -6.904 0.589 1.260 1.00 0.38 H new ATOM 694 N ASN A 45 -4.297 2.334 6.049 1.00 0.15 N ATOM 695 CA ASN A 45 -3.191 3.217 6.495 1.00 0.19 C ATOM 696 C ASN A 45 -2.375 2.472 7.551 1.00 0.20 C ATOM 697 O ASN A 45 -1.166 2.577 7.606 1.00 0.28 O ATOM 698 CB ASN A 45 -3.777 4.494 7.102 1.00 0.22 C ATOM 699 CG ASN A 45 -4.346 5.380 5.991 1.00 0.65 C ATOM 700 OD1 ASN A 45 -4.891 6.432 6.259 1.00 1.46 O ATOM 701 ND2 ASN A 45 -4.245 4.996 4.747 1.00 0.94 N ATOM 0 H ASN A 45 -5.236 2.702 6.204 1.00 0.15 H new ATOM 0 HA ASN A 45 -2.554 3.483 5.651 1.00 0.19 H new ATOM 0 HB2 ASN A 45 -4.561 4.242 7.817 1.00 0.22 H new ATOM 0 HB3 ASN A 45 -3.006 5.034 7.652 1.00 0.22 H new ATOM 0 HD21 ASN A 45 -4.624 5.579 4.001 1.00 0.94 H new ATOM 0 HD22 ASN A 45 -3.787 4.113 4.521 1.00 0.94 H new ATOM 708 N ASN A 46 -3.031 1.716 8.391 1.00 0.17 N ATOM 709 CA ASN A 46 -2.298 0.961 9.445 1.00 0.22 C ATOM 710 C ASN A 46 -1.487 -0.167 8.799 1.00 0.24 C ATOM 711 O ASN A 46 -0.542 -0.669 9.373 1.00 0.27 O ATOM 712 CB ASN A 46 -3.303 0.367 10.434 1.00 0.24 C ATOM 713 CG ASN A 46 -3.933 1.492 11.257 1.00 0.41 C ATOM 714 OD1 ASN A 46 -3.379 2.569 11.358 1.00 1.10 O ATOM 715 ND2 ASN A 46 -5.076 1.288 11.851 1.00 1.22 N ATOM 0 H ASN A 46 -4.043 1.590 8.392 1.00 0.17 H new ATOM 0 HA ASN A 46 -1.622 1.635 9.972 1.00 0.22 H new ATOM 0 HB2 ASN A 46 -4.076 -0.183 9.897 1.00 0.24 H new ATOM 0 HB3 ASN A 46 -2.805 -0.345 11.092 1.00 0.24 H new ATOM 0 HD21 ASN A 46 -5.505 2.032 12.400 1.00 1.22 H new ATOM 0 HD22 ASN A 46 -5.541 0.384 11.766 1.00 1.22 H new ATOM 722 N ALA A 47 -1.847 -0.568 7.609 1.00 0.24 N ATOM 723 CA ALA A 47 -1.090 -1.662 6.936 1.00 0.30 C ATOM 724 C ALA A 47 0.331 -1.183 6.630 1.00 0.51 C ATOM 725 O ALA A 47 0.531 -0.097 6.119 1.00 1.49 O ATOM 726 CB ALA A 47 -1.793 -2.040 5.629 1.00 0.21 C ATOM 0 H ALA A 47 -2.629 -0.187 7.076 1.00 0.24 H new ATOM 0 HA ALA A 47 -1.048 -2.532 7.591 1.00 0.30 H new ATOM 0 HB1 ALA A 47 -1.240 -2.840 5.137 1.00 0.21 H new ATOM 0 HB2 ALA A 47 -2.806 -2.379 5.846 1.00 0.21 H new ATOM 0 HB3 ALA A 47 -1.834 -1.170 4.973 1.00 0.21 H new ATOM 732 N LYS A 48 1.320 -1.985 6.943 1.00 0.60 N ATOM 733 CA LYS A 48 2.741 -1.591 6.680 1.00 0.53 C ATOM 734 C LYS A 48 3.309 -2.437 5.543 1.00 0.42 C ATOM 735 O LYS A 48 4.501 -2.447 5.307 1.00 0.51 O ATOM 736 CB LYS A 48 3.574 -1.812 7.945 1.00 0.68 C ATOM 737 CG LYS A 48 3.172 -0.783 9.005 1.00 1.13 C ATOM 738 CD LYS A 48 4.000 -0.998 10.274 1.00 1.72 C ATOM 739 CE LYS A 48 3.592 0.034 11.328 1.00 2.29 C ATOM 740 NZ LYS A 48 4.381 -0.185 12.574 1.00 2.97 N ATOM 0 H LYS A 48 1.203 -2.903 7.373 1.00 0.60 H new ATOM 0 HA LYS A 48 2.777 -0.539 6.398 1.00 0.53 H new ATOM 0 HB2 LYS A 48 3.418 -2.822 8.325 1.00 0.68 H new ATOM 0 HB3 LYS A 48 4.635 -1.718 7.716 1.00 0.68 H new ATOM 0 HG2 LYS A 48 3.329 0.226 8.624 1.00 1.13 H new ATOM 0 HG3 LYS A 48 2.110 -0.877 9.232 1.00 1.13 H new ATOM 0 HD2 LYS A 48 3.844 -2.006 10.657 1.00 1.72 H new ATOM 0 HD3 LYS A 48 5.062 -0.904 10.049 1.00 1.72 H new ATOM 0 HE2 LYS A 48 3.763 1.042 10.950 1.00 2.29 H new ATOM 0 HE3 LYS A 48 2.526 -0.050 11.541 1.00 2.29 H new ATOM 0 HZ1 LYS A 48 4.103 0.517 13.289 1.00 2.97 H new ATOM 0 HZ2 LYS A 48 4.197 -1.142 12.938 1.00 2.97 H new ATOM 0 HZ3 LYS A 48 5.395 -0.083 12.365 1.00 2.97 H new ATOM 754 N THR A 49 2.473 -3.148 4.831 1.00 0.35 N ATOM 755 CA THR A 49 2.983 -3.988 3.706 1.00 0.42 C ATOM 756 C THR A 49 1.950 -4.019 2.574 1.00 0.62 C ATOM 757 O THR A 49 0.757 -4.024 2.804 1.00 1.59 O ATOM 758 CB THR A 49 3.243 -5.413 4.215 1.00 0.45 C ATOM 759 OG1 THR A 49 3.793 -5.350 5.523 1.00 0.57 O ATOM 760 CG2 THR A 49 4.234 -6.112 3.285 1.00 0.48 C ATOM 0 H THR A 49 1.464 -3.184 4.979 1.00 0.35 H new ATOM 0 HA THR A 49 3.912 -3.564 3.326 1.00 0.42 H new ATOM 0 HB THR A 49 2.306 -5.970 4.236 1.00 0.45 H new ATOM 0 HG1 THR A 49 3.959 -6.258 5.852 1.00 0.57 H new ATOM 0 HG21 THR A 49 4.419 -7.124 3.645 1.00 0.48 H new ATOM 0 HG22 THR A 49 3.819 -6.156 2.278 1.00 0.48 H new ATOM 0 HG23 THR A 49 5.171 -5.556 3.268 1.00 0.48 H new ATOM 768 N VAL A 50 2.407 -4.029 1.351 1.00 0.44 N ATOM 769 CA VAL A 50 1.468 -4.048 0.192 1.00 0.33 C ATOM 770 C VAL A 50 0.765 -5.400 0.081 1.00 0.37 C ATOM 771 O VAL A 50 -0.384 -5.474 -0.308 1.00 0.40 O ATOM 772 CB VAL A 50 2.246 -3.779 -1.091 1.00 0.42 C ATOM 773 CG1 VAL A 50 3.344 -4.832 -1.249 1.00 0.47 C ATOM 774 CG2 VAL A 50 1.297 -3.846 -2.291 1.00 0.44 C ATOM 0 H VAL A 50 3.396 -4.025 1.103 1.00 0.44 H new ATOM 0 HA VAL A 50 0.714 -3.276 0.344 1.00 0.33 H new ATOM 0 HB VAL A 50 2.696 -2.787 -1.042 1.00 0.42 H new ATOM 0 HG11 VAL A 50 3.902 -4.641 -2.166 1.00 0.47 H new ATOM 0 HG12 VAL A 50 4.021 -4.783 -0.396 1.00 0.47 H new ATOM 0 HG13 VAL A 50 2.893 -5.823 -1.298 1.00 0.47 H new ATOM 0 HG21 VAL A 50 1.855 -3.653 -3.207 1.00 0.44 H new ATOM 0 HG22 VAL A 50 0.845 -4.837 -2.343 1.00 0.44 H new ATOM 0 HG23 VAL A 50 0.514 -3.096 -2.178 1.00 0.44 H new ATOM 784 N GLU A 51 1.430 -6.474 0.407 1.00 0.43 N ATOM 785 CA GLU A 51 0.758 -7.797 0.294 1.00 0.53 C ATOM 786 C GLU A 51 -0.511 -7.749 1.135 1.00 0.49 C ATOM 787 O GLU A 51 -1.546 -8.264 0.757 1.00 0.62 O ATOM 788 CB GLU A 51 1.690 -8.910 0.796 1.00 0.66 C ATOM 789 CG GLU A 51 1.886 -8.798 2.313 1.00 1.57 C ATOM 790 CD GLU A 51 2.973 -9.780 2.758 1.00 1.95 C ATOM 791 OE1 GLU A 51 2.645 -10.933 2.982 1.00 2.14 O ATOM 792 OE2 GLU A 51 4.112 -9.361 2.865 1.00 2.64 O ATOM 0 H GLU A 51 2.393 -6.494 0.741 1.00 0.43 H new ATOM 0 HA GLU A 51 0.513 -8.010 -0.746 1.00 0.53 H new ATOM 0 HB2 GLU A 51 1.270 -9.885 0.548 1.00 0.66 H new ATOM 0 HB3 GLU A 51 2.654 -8.841 0.292 1.00 0.66 H new ATOM 0 HG2 GLU A 51 2.169 -7.780 2.580 1.00 1.57 H new ATOM 0 HG3 GLU A 51 0.951 -9.015 2.829 1.00 1.57 H new ATOM 799 N GLY A 52 -0.441 -7.109 2.265 1.00 0.40 N ATOM 800 CA GLY A 52 -1.640 -6.993 3.132 1.00 0.41 C ATOM 801 C GLY A 52 -2.647 -6.040 2.483 1.00 0.31 C ATOM 802 O GLY A 52 -3.843 -6.230 2.582 1.00 0.35 O ATOM 0 H GLY A 52 0.400 -6.659 2.627 1.00 0.40 H new ATOM 0 HA2 GLY A 52 -2.093 -7.974 3.278 1.00 0.41 H new ATOM 0 HA3 GLY A 52 -1.356 -6.623 4.117 1.00 0.41 H new ATOM 806 N VAL A 53 -2.180 -5.008 1.823 1.00 0.22 N ATOM 807 CA VAL A 53 -3.133 -4.053 1.185 1.00 0.15 C ATOM 808 C VAL A 53 -3.942 -4.779 0.106 1.00 0.14 C ATOM 809 O VAL A 53 -5.151 -4.671 0.045 1.00 0.17 O ATOM 810 CB VAL A 53 -2.357 -2.894 0.551 1.00 0.14 C ATOM 811 CG1 VAL A 53 -3.320 -2.001 -0.238 1.00 0.19 C ATOM 812 CG2 VAL A 53 -1.687 -2.070 1.653 1.00 0.14 C ATOM 0 H VAL A 53 -1.191 -4.789 1.700 1.00 0.22 H new ATOM 0 HA VAL A 53 -3.810 -3.661 1.943 1.00 0.15 H new ATOM 0 HB VAL A 53 -1.598 -3.291 -0.123 1.00 0.14 H new ATOM 0 HG11 VAL A 53 -2.766 -1.177 -0.688 1.00 0.19 H new ATOM 0 HG12 VAL A 53 -3.800 -2.587 -1.022 1.00 0.19 H new ATOM 0 HG13 VAL A 53 -4.080 -1.603 0.434 1.00 0.19 H new ATOM 0 HG21 VAL A 53 -1.134 -1.245 1.205 1.00 0.14 H new ATOM 0 HG22 VAL A 53 -2.448 -1.674 2.325 1.00 0.14 H new ATOM 0 HG23 VAL A 53 -1.001 -2.704 2.215 1.00 0.14 H new ATOM 822 N LYS A 54 -3.285 -5.513 -0.749 1.00 0.18 N ATOM 823 CA LYS A 54 -4.013 -6.240 -1.827 1.00 0.21 C ATOM 824 C LYS A 54 -4.924 -7.307 -1.210 1.00 0.20 C ATOM 825 O LYS A 54 -6.039 -7.510 -1.646 1.00 0.21 O ATOM 826 CB LYS A 54 -2.994 -6.901 -2.756 1.00 0.26 C ATOM 827 CG LYS A 54 -3.703 -7.450 -3.993 1.00 0.30 C ATOM 828 CD LYS A 54 -2.672 -8.101 -4.915 1.00 0.78 C ATOM 829 CE LYS A 54 -3.360 -8.582 -6.191 1.00 1.14 C ATOM 830 NZ LYS A 54 -4.065 -7.436 -6.833 1.00 1.73 N ATOM 0 H LYS A 54 -2.273 -5.641 -0.748 1.00 0.18 H new ATOM 0 HA LYS A 54 -4.626 -5.539 -2.394 1.00 0.21 H new ATOM 0 HB2 LYS A 54 -2.235 -6.177 -3.052 1.00 0.26 H new ATOM 0 HB3 LYS A 54 -2.480 -7.707 -2.232 1.00 0.26 H new ATOM 0 HG2 LYS A 54 -4.459 -8.179 -3.700 1.00 0.30 H new ATOM 0 HG3 LYS A 54 -4.221 -6.647 -4.517 1.00 0.30 H new ATOM 0 HD2 LYS A 54 -1.886 -7.387 -5.160 1.00 0.78 H new ATOM 0 HD3 LYS A 54 -2.194 -8.940 -4.409 1.00 0.78 H new ATOM 0 HE2 LYS A 54 -2.625 -9.002 -6.878 1.00 1.14 H new ATOM 0 HE3 LYS A 54 -4.070 -9.376 -5.958 1.00 1.14 H new ATOM 0 HZ1 LYS A 54 -4.001 -7.525 -7.867 1.00 1.73 H new ATOM 0 HZ2 LYS A 54 -5.065 -7.439 -6.546 1.00 1.73 H new ATOM 0 HZ3 LYS A 54 -3.621 -6.544 -6.534 1.00 1.73 H new ATOM 844 N ALA A 55 -4.457 -7.984 -0.198 1.00 0.22 N ATOM 845 CA ALA A 55 -5.293 -9.036 0.453 1.00 0.23 C ATOM 846 C ALA A 55 -6.436 -8.384 1.209 1.00 0.20 C ATOM 847 O ALA A 55 -7.403 -9.031 1.556 1.00 0.19 O ATOM 848 CB ALA A 55 -4.436 -9.851 1.422 1.00 0.30 C ATOM 0 H ALA A 55 -3.530 -7.855 0.209 1.00 0.22 H new ATOM 0 HA ALA A 55 -5.697 -9.698 -0.313 1.00 0.23 H new ATOM 0 HB1 ALA A 55 -5.050 -10.617 1.895 1.00 0.30 H new ATOM 0 HB2 ALA A 55 -3.621 -10.325 0.876 1.00 0.30 H new ATOM 0 HB3 ALA A 55 -4.025 -9.192 2.187 1.00 0.30 H new ATOM 854 N LEU A 56 -6.356 -7.110 1.466 1.00 0.20 N ATOM 855 CA LEU A 56 -7.466 -6.464 2.193 1.00 0.21 C ATOM 856 C LEU A 56 -8.592 -6.181 1.201 1.00 0.18 C ATOM 857 O LEU A 56 -9.619 -6.817 1.229 1.00 0.19 O ATOM 858 CB LEU A 56 -6.987 -5.151 2.820 1.00 0.26 C ATOM 859 CG LEU A 56 -8.060 -4.597 3.776 1.00 0.30 C ATOM 860 CD1 LEU A 56 -8.021 -5.331 5.123 1.00 0.34 C ATOM 861 CD2 LEU A 56 -7.819 -3.104 4.014 1.00 0.46 C ATOM 0 H LEU A 56 -5.580 -6.501 1.206 1.00 0.20 H new ATOM 0 HA LEU A 56 -7.821 -7.120 2.988 1.00 0.21 H new ATOM 0 HB2 LEU A 56 -6.056 -5.317 3.363 1.00 0.26 H new ATOM 0 HB3 LEU A 56 -6.775 -4.422 2.038 1.00 0.26 H new ATOM 0 HG LEU A 56 -9.037 -4.749 3.318 1.00 0.30 H new ATOM 0 HD11 LEU A 56 -8.787 -4.923 5.782 1.00 0.34 H new ATOM 0 HD12 LEU A 56 -8.207 -6.393 4.964 1.00 0.34 H new ATOM 0 HD13 LEU A 56 -7.041 -5.199 5.581 1.00 0.34 H new ATOM 0 HD21 LEU A 56 -8.580 -2.716 4.691 1.00 0.46 H new ATOM 0 HD22 LEU A 56 -6.833 -2.961 4.456 1.00 0.46 H new ATOM 0 HD23 LEU A 56 -7.872 -2.571 3.065 1.00 0.46 H new ATOM 873 N ILE A 57 -8.404 -5.254 0.300 1.00 0.16 N ATOM 874 CA ILE A 57 -9.484 -4.944 -0.687 1.00 0.17 C ATOM 875 C ILE A 57 -10.064 -6.243 -1.242 1.00 0.17 C ATOM 876 O ILE A 57 -11.258 -6.385 -1.408 1.00 0.20 O ATOM 877 CB ILE A 57 -8.911 -4.136 -1.855 1.00 0.18 C ATOM 878 CG1 ILE A 57 -7.983 -3.036 -1.325 1.00 0.19 C ATOM 879 CG2 ILE A 57 -10.054 -3.500 -2.650 1.00 0.23 C ATOM 880 CD1 ILE A 57 -8.689 -2.233 -0.230 1.00 0.21 C ATOM 0 H ILE A 57 -7.554 -4.699 0.203 1.00 0.16 H new ATOM 0 HA ILE A 57 -10.260 -4.369 -0.182 1.00 0.17 H new ATOM 0 HB ILE A 57 -8.343 -4.803 -2.504 1.00 0.18 H new ATOM 0 HG12 ILE A 57 -7.069 -3.480 -0.929 1.00 0.19 H new ATOM 0 HG13 ILE A 57 -7.689 -2.374 -2.140 1.00 0.19 H new ATOM 0 HG21 ILE A 57 -9.644 -2.926 -3.481 1.00 0.23 H new ATOM 0 HG22 ILE A 57 -10.707 -4.282 -3.037 1.00 0.23 H new ATOM 0 HG23 ILE A 57 -10.626 -2.839 -1.999 1.00 0.23 H new ATOM 0 HD11 ILE A 57 -8.021 -1.455 0.139 1.00 0.21 H new ATOM 0 HD12 ILE A 57 -9.589 -1.774 -0.638 1.00 0.21 H new ATOM 0 HD13 ILE A 57 -8.960 -2.897 0.591 1.00 0.21 H new ATOM 892 N ASP A 58 -9.222 -7.190 -1.527 1.00 0.16 N ATOM 893 CA ASP A 58 -9.724 -8.474 -2.066 1.00 0.19 C ATOM 894 C ASP A 58 -10.676 -9.093 -1.047 1.00 0.19 C ATOM 895 O ASP A 58 -11.696 -9.654 -1.394 1.00 0.22 O ATOM 896 CB ASP A 58 -8.548 -9.422 -2.309 1.00 0.21 C ATOM 897 CG ASP A 58 -7.717 -8.913 -3.487 1.00 0.50 C ATOM 898 OD1 ASP A 58 -8.240 -8.130 -4.263 1.00 1.11 O ATOM 899 OD2 ASP A 58 -6.568 -9.308 -3.590 1.00 1.17 O ATOM 0 H ASP A 58 -8.211 -7.130 -1.410 1.00 0.16 H new ATOM 0 HA ASP A 58 -10.246 -8.304 -3.008 1.00 0.19 H new ATOM 0 HB2 ASP A 58 -7.929 -9.487 -1.414 1.00 0.21 H new ATOM 0 HB3 ASP A 58 -8.915 -10.427 -2.516 1.00 0.21 H new ATOM 904 N GLU A 59 -10.348 -9.004 0.221 1.00 0.18 N ATOM 905 CA GLU A 59 -11.234 -9.596 1.258 1.00 0.21 C ATOM 906 C GLU A 59 -12.389 -8.634 1.578 1.00 0.24 C ATOM 907 O GLU A 59 -13.477 -9.066 1.908 1.00 0.30 O ATOM 908 CB GLU A 59 -10.396 -9.982 2.503 1.00 0.23 C ATOM 909 CG GLU A 59 -10.334 -8.865 3.540 1.00 0.25 C ATOM 910 CD GLU A 59 -9.440 -9.307 4.700 1.00 0.38 C ATOM 911 OE1 GLU A 59 -9.854 -10.185 5.439 1.00 0.98 O ATOM 912 OE2 GLU A 59 -8.355 -8.765 4.826 1.00 1.04 O ATOM 0 H GLU A 59 -9.507 -8.548 0.575 1.00 0.18 H new ATOM 0 HA GLU A 59 -11.690 -10.514 0.886 1.00 0.21 H new ATOM 0 HB2 GLU A 59 -10.823 -10.874 2.961 1.00 0.23 H new ATOM 0 HB3 GLU A 59 -9.384 -10.238 2.190 1.00 0.23 H new ATOM 0 HG2 GLU A 59 -9.941 -7.954 3.088 1.00 0.25 H new ATOM 0 HG3 GLU A 59 -11.335 -8.634 3.904 1.00 0.25 H new ATOM 919 N ILE A 60 -12.194 -7.342 1.460 1.00 0.23 N ATOM 920 CA ILE A 60 -13.337 -6.416 1.742 1.00 0.27 C ATOM 921 C ILE A 60 -14.395 -6.634 0.663 1.00 0.28 C ATOM 922 O ILE A 60 -15.566 -6.806 0.933 1.00 0.33 O ATOM 923 CB ILE A 60 -12.909 -4.939 1.668 1.00 0.28 C ATOM 924 CG1 ILE A 60 -11.634 -4.702 2.467 1.00 0.29 C ATOM 925 CG2 ILE A 60 -14.023 -4.062 2.241 1.00 0.33 C ATOM 926 CD1 ILE A 60 -11.745 -5.311 3.860 1.00 0.27 C ATOM 0 H ILE A 60 -11.317 -6.897 1.188 1.00 0.23 H new ATOM 0 HA ILE A 60 -13.707 -6.627 2.745 1.00 0.27 H new ATOM 0 HB ILE A 60 -12.722 -4.685 0.624 1.00 0.28 H new ATOM 0 HG12 ILE A 60 -10.784 -5.138 1.942 1.00 0.29 H new ATOM 0 HG13 ILE A 60 -11.444 -3.632 2.548 1.00 0.29 H new ATOM 0 HG21 ILE A 60 -13.724 -3.015 2.191 1.00 0.33 H new ATOM 0 HG22 ILE A 60 -14.935 -4.207 1.662 1.00 0.33 H new ATOM 0 HG23 ILE A 60 -14.205 -4.338 3.280 1.00 0.33 H new ATOM 0 HD11 ILE A 60 -10.823 -5.129 4.411 1.00 0.27 H new ATOM 0 HD12 ILE A 60 -12.581 -4.855 4.391 1.00 0.27 H new ATOM 0 HD13 ILE A 60 -11.911 -6.385 3.775 1.00 0.27 H new ATOM 938 N LEU A 61 -13.965 -6.607 -0.568 1.00 0.25 N ATOM 939 CA LEU A 61 -14.896 -6.788 -1.712 1.00 0.30 C ATOM 940 C LEU A 61 -15.528 -8.182 -1.658 1.00 0.33 C ATOM 941 O LEU A 61 -16.701 -8.350 -1.925 1.00 0.46 O ATOM 942 CB LEU A 61 -14.108 -6.610 -3.016 1.00 0.29 C ATOM 943 CG LEU A 61 -13.633 -5.155 -3.151 1.00 0.32 C ATOM 944 CD1 LEU A 61 -12.752 -5.035 -4.399 1.00 1.15 C ATOM 945 CD2 LEU A 61 -14.838 -4.200 -3.270 1.00 1.27 C ATOM 0 H LEU A 61 -12.990 -6.464 -0.832 1.00 0.25 H new ATOM 0 HA LEU A 61 -15.696 -6.049 -1.663 1.00 0.30 H new ATOM 0 HB2 LEU A 61 -13.251 -7.283 -3.027 1.00 0.29 H new ATOM 0 HB3 LEU A 61 -14.734 -6.877 -3.868 1.00 0.29 H new ATOM 0 HG LEU A 61 -13.064 -4.880 -2.263 1.00 0.32 H new ATOM 0 HD11 LEU A 61 -12.409 -4.006 -4.505 1.00 1.15 H new ATOM 0 HD12 LEU A 61 -11.891 -5.696 -4.301 1.00 1.15 H new ATOM 0 HD13 LEU A 61 -13.328 -5.318 -5.280 1.00 1.15 H new ATOM 0 HD21 LEU A 61 -14.481 -3.174 -3.365 1.00 1.27 H new ATOM 0 HD22 LEU A 61 -15.425 -4.463 -4.150 1.00 1.27 H new ATOM 0 HD23 LEU A 61 -15.460 -4.287 -2.379 1.00 1.27 H new ATOM 957 N ALA A 62 -14.766 -9.182 -1.312 1.00 0.28 N ATOM 958 CA ALA A 62 -15.333 -10.560 -1.239 1.00 0.32 C ATOM 959 C ALA A 62 -16.431 -10.602 -0.175 1.00 0.37 C ATOM 960 O ALA A 62 -17.315 -11.436 -0.210 1.00 0.48 O ATOM 961 CB ALA A 62 -14.225 -11.547 -0.869 1.00 0.31 C ATOM 0 H ALA A 62 -13.776 -9.106 -1.077 1.00 0.28 H new ATOM 0 HA ALA A 62 -15.754 -10.833 -2.207 1.00 0.32 H new ATOM 0 HB1 ALA A 62 -14.638 -12.554 -0.815 1.00 0.31 H new ATOM 0 HB2 ALA A 62 -13.442 -11.516 -1.627 1.00 0.31 H new ATOM 0 HB3 ALA A 62 -13.804 -11.275 0.099 1.00 0.31 H new ATOM 967 N ALA A 63 -16.378 -9.709 0.774 1.00 0.41 N ATOM 968 CA ALA A 63 -17.410 -9.690 1.850 1.00 0.50 C ATOM 969 C ALA A 63 -18.800 -9.478 1.242 1.00 0.70 C ATOM 970 O ALA A 63 -19.774 -10.054 1.686 1.00 1.15 O ATOM 971 CB ALA A 63 -17.101 -8.551 2.824 1.00 0.72 C ATOM 0 H ALA A 63 -15.661 -8.988 0.851 1.00 0.41 H new ATOM 0 HA ALA A 63 -17.395 -10.643 2.378 1.00 0.50 H new ATOM 0 HB1 ALA A 63 -17.853 -8.533 3.613 1.00 0.72 H new ATOM 0 HB2 ALA A 63 -16.116 -8.706 3.265 1.00 0.72 H new ATOM 0 HB3 ALA A 63 -17.113 -7.601 2.289 1.00 0.72 H new ATOM 977 N LEU A 64 -18.904 -8.650 0.238 1.00 0.59 N ATOM 978 CA LEU A 64 -20.236 -8.398 -0.384 1.00 0.85 C ATOM 979 C LEU A 64 -20.799 -9.723 -0.936 1.00 1.41 C ATOM 980 O LEU A 64 -20.046 -10.573 -1.365 1.00 1.62 O ATOM 981 CB LEU A 64 -20.065 -7.404 -1.540 1.00 0.65 C ATOM 982 CG LEU A 64 -19.424 -6.107 -1.028 1.00 0.53 C ATOM 983 CD1 LEU A 64 -18.937 -5.280 -2.220 1.00 0.68 C ATOM 984 CD2 LEU A 64 -20.444 -5.287 -0.224 1.00 0.84 C ATOM 0 H LEU A 64 -18.126 -8.138 -0.178 1.00 0.59 H new ATOM 0 HA LEU A 64 -20.921 -7.991 0.360 1.00 0.85 H new ATOM 0 HB2 LEU A 64 -19.443 -7.844 -2.319 1.00 0.65 H new ATOM 0 HB3 LEU A 64 -21.034 -7.187 -1.990 1.00 0.65 H new ATOM 0 HG LEU A 64 -18.584 -6.359 -0.380 1.00 0.53 H new ATOM 0 HD11 LEU A 64 -18.481 -4.358 -1.861 1.00 0.68 H new ATOM 0 HD12 LEU A 64 -18.201 -5.853 -2.784 1.00 0.68 H new ATOM 0 HD13 LEU A 64 -19.782 -5.040 -2.865 1.00 0.68 H new ATOM 0 HD21 LEU A 64 -19.974 -4.370 0.132 1.00 0.84 H new ATOM 0 HD22 LEU A 64 -21.292 -5.036 -0.861 1.00 0.84 H new ATOM 0 HD23 LEU A 64 -20.790 -5.872 0.628 1.00 0.84 H new ATOM 996 N PRO A 65 -22.108 -9.914 -0.939 1.00 1.85 N ATOM 997 CA PRO A 65 -22.691 -11.181 -1.470 1.00 2.43 C ATOM 998 C PRO A 65 -22.373 -11.379 -2.960 1.00 2.62 C ATOM 999 O PRO A 65 -22.614 -10.460 -3.724 1.00 2.81 O ATOM 1000 CB PRO A 65 -24.203 -10.977 -1.237 1.00 2.89 C ATOM 1001 CG PRO A 65 -24.434 -9.503 -0.861 1.00 2.69 C ATOM 1002 CD PRO A 65 -23.086 -8.909 -0.424 1.00 2.01 C ATOM 1003 OXT PRO A 65 -21.894 -12.447 -3.307 1.00 3.05 O ATOM 0 HA PRO A 65 -22.292 -12.072 -0.986 1.00 2.43 H new ATOM 0 HB2 PRO A 65 -24.765 -11.233 -2.135 1.00 2.89 H new ATOM 0 HB3 PRO A 65 -24.557 -11.633 -0.442 1.00 2.89 H new ATOM 0 HG2 PRO A 65 -24.836 -8.951 -1.711 1.00 2.69 H new ATOM 0 HG3 PRO A 65 -25.164 -9.425 -0.056 1.00 2.69 H new ATOM 0 HD2 PRO A 65 -22.919 -7.922 -0.855 1.00 2.01 H new ATOM 0 HD3 PRO A 65 -23.023 -8.799 0.659 1.00 2.01 H new TER 1011 PRO A 65