USER MOD reduce.3.24.130724 H: found=0, std=0, add=642, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 643 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 81 MET CE :methyl 177:sc= -0.0479 (180deg=-0.125) USER MOD Set 1.2: A 82 MET CE :methyl -156:sc= -0.0122 (180deg=-0.618) USER MOD Set 2.1: A 21 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 70 THR OG1 : rot 180:sc= -1.22 USER MOD Set 3.1: A 59 SER OG : rot 115:sc= -3.19! USER MOD Set 3.2: A 66 SER OG : rot 168:sc= -3.51! USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= -0.0449 K(o=-0.045,f=-3.7!) USER MOD Single : A 13 HIS : no HD1:sc= -0.0324 X(o=-0.032,f=-0.032) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 139:sc= 0.925 USER MOD Single : A 20 MET CE :methyl 169:sc= -0.0145 (180deg=-0.199) USER MOD Single : A 24 TYR OH : rot 180:sc= -0.21 USER MOD Single : A 30 MET CE :methyl -155:sc= -2.07 (180deg=-3.4!) USER MOD Single : A 41 GLN : amide:sc= -0.0247 X(o=-0.025,f=0) USER MOD Single : A 43 ASN : amide:sc= -0.106 K(o=-0.11,f=-1.4!) USER MOD Single : A 44 LYS NZ :NH3+ -162:sc= -0.0731 (180deg=-0.399) USER MOD Single : A 46 GLN : amide:sc= -0.0161 K(o=-0.016,f=-2.7!) USER MOD Single : A 47 GLN : amide:sc= -2.25! K(o=-2.3!,f=-0.83) USER MOD Single : A 49 SER OG : rot -68:sc= 1.19 USER MOD Single : A 51 CYS SG : rot -170:sc= -1.02 USER MOD Single : A 52 LYS NZ :NH3+ 163:sc= 0.92 (180deg=0.736) USER MOD Single : A 54 GLN : amide:sc= -1.46 K(o=-1.5,f=-0.52) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot -2:sc= 1.25 USER MOD Single : A 75 SER OG : rot -82:sc= 0.661 USER MOD Single : A 77 GLN : amide:sc= -0.198 X(o=-0.2,f=-0.19) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 148:sc= 1.23 (180deg=-0.275) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 31 N SER A 7 13.523 4.236 0.812 1.00 0.00 N ATOM 32 CA SER A 7 13.497 4.050 -0.639 1.00 0.00 C ATOM 33 C SER A 7 13.303 2.573 -0.976 1.00 0.00 C ATOM 34 O SER A 7 12.235 2.169 -1.424 1.00 0.00 O ATOM 35 CB SER A 7 14.768 4.608 -1.302 1.00 0.00 C ATOM 36 OG SER A 7 14.719 4.487 -2.716 1.00 0.00 O ATOM 0 HA SER A 7 12.653 4.612 -1.039 1.00 0.00 H new ATOM 0 HB2 SER A 7 14.890 5.657 -1.030 1.00 0.00 H new ATOM 0 HB3 SER A 7 15.640 4.077 -0.921 1.00 0.00 H new ATOM 0 HG SER A 7 15.541 4.853 -3.104 1.00 0.00 H new ATOM 42 N GLN A 8 14.318 1.767 -0.707 1.00 0.00 N ATOM 43 CA GLN A 8 14.272 0.345 -1.003 1.00 0.00 C ATOM 44 C GLN A 8 15.334 -0.391 -0.199 1.00 0.00 C ATOM 45 O GLN A 8 16.530 -0.288 -0.480 1.00 0.00 O ATOM 46 CB GLN A 8 14.465 0.098 -2.507 1.00 0.00 C ATOM 47 CG GLN A 8 14.518 -1.374 -2.901 1.00 0.00 C ATOM 48 CD GLN A 8 13.349 -2.178 -2.367 1.00 0.00 C ATOM 49 OE1 GLN A 8 13.422 -2.740 -1.281 1.00 0.00 O ATOM 50 NE2 GLN A 8 12.268 -2.244 -3.127 1.00 0.00 N ATOM 0 H GLN A 8 15.191 2.078 -0.280 1.00 0.00 H new ATOM 0 HA GLN A 8 13.292 -0.038 -0.720 1.00 0.00 H new ATOM 0 HB2 GLN A 8 13.650 0.578 -3.049 1.00 0.00 H new ATOM 0 HB3 GLN A 8 15.388 0.581 -2.827 1.00 0.00 H new ATOM 0 HG2 GLN A 8 14.538 -1.452 -3.988 1.00 0.00 H new ATOM 0 HG3 GLN A 8 15.448 -1.809 -2.533 1.00 0.00 H new ATOM 0 HE21 GLN A 8 12.246 -1.762 -4.026 1.00 0.00 H new ATOM 0 HE22 GLN A 8 11.457 -2.777 -2.814 1.00 0.00 H new ATOM 59 N LEU A 9 14.892 -1.109 0.813 1.00 0.00 N ATOM 60 CA LEU A 9 15.782 -1.909 1.622 1.00 0.00 C ATOM 61 C LEU A 9 15.856 -3.307 1.039 1.00 0.00 C ATOM 62 O LEU A 9 14.989 -4.131 1.301 1.00 0.00 O ATOM 63 CB LEU A 9 15.280 -1.985 3.067 1.00 0.00 C ATOM 64 CG LEU A 9 16.279 -2.557 4.075 1.00 0.00 C ATOM 65 CD1 LEU A 9 17.518 -1.680 4.156 1.00 0.00 C ATOM 66 CD2 LEU A 9 15.632 -2.695 5.443 1.00 0.00 C ATOM 0 H LEU A 9 13.913 -1.153 1.095 1.00 0.00 H new ATOM 0 HA LEU A 9 16.770 -1.448 1.623 1.00 0.00 H new ATOM 0 HB2 LEU A 9 14.997 -0.983 3.389 1.00 0.00 H new ATOM 0 HB3 LEU A 9 14.377 -2.595 3.089 1.00 0.00 H new ATOM 0 HG LEU A 9 16.583 -3.547 3.736 1.00 0.00 H new ATOM 0 HD11 LEU A 9 18.217 -2.103 4.878 1.00 0.00 H new ATOM 0 HD12 LEU A 9 17.994 -1.631 3.177 1.00 0.00 H new ATOM 0 HD13 LEU A 9 17.233 -0.676 4.472 1.00 0.00 H new ATOM 0 HD21 LEU A 9 16.356 -3.103 6.148 1.00 0.00 H new ATOM 0 HD22 LEU A 9 15.300 -1.716 5.789 1.00 0.00 H new ATOM 0 HD23 LEU A 9 14.775 -3.365 5.374 1.00 0.00 H new ATOM 78 N GLY A 10 16.874 -3.569 0.237 1.00 0.00 N ATOM 79 CA GLY A 10 17.004 -4.881 -0.371 1.00 0.00 C ATOM 80 C GLY A 10 18.286 -5.592 0.020 1.00 0.00 C ATOM 81 O GLY A 10 19.185 -5.742 -0.808 1.00 0.00 O ATOM 0 H GLY A 10 17.609 -2.905 -0.005 1.00 0.00 H new ATOM 0 HA2 GLY A 10 16.152 -5.495 -0.081 1.00 0.00 H new ATOM 0 HA3 GLY A 10 16.969 -4.778 -1.456 1.00 0.00 H new ATOM 85 N PRO A 11 18.410 -6.048 1.278 1.00 0.00 N ATOM 86 CA PRO A 11 19.593 -6.775 1.739 1.00 0.00 C ATOM 87 C PRO A 11 19.621 -8.195 1.187 1.00 0.00 C ATOM 88 O PRO A 11 20.674 -8.716 0.812 1.00 0.00 O ATOM 89 CB PRO A 11 19.442 -6.799 3.269 1.00 0.00 C ATOM 90 CG PRO A 11 18.281 -5.908 3.582 1.00 0.00 C ATOM 91 CD PRO A 11 17.422 -5.900 2.355 1.00 0.00 C ATOM 0 HA PRO A 11 20.519 -6.305 1.408 1.00 0.00 H new ATOM 0 HB2 PRO A 11 19.264 -7.813 3.628 1.00 0.00 H new ATOM 0 HB3 PRO A 11 20.350 -6.443 3.756 1.00 0.00 H new ATOM 0 HG2 PRO A 11 17.726 -6.279 4.444 1.00 0.00 H new ATOM 0 HG3 PRO A 11 18.618 -4.901 3.829 1.00 0.00 H new ATOM 0 HD2 PRO A 11 16.700 -6.717 2.359 1.00 0.00 H new ATOM 0 HD3 PRO A 11 16.855 -4.974 2.262 1.00 0.00 H new ATOM 99 N ILE A 12 18.449 -8.807 1.123 1.00 0.00 N ATOM 100 CA ILE A 12 18.315 -10.167 0.625 1.00 0.00 C ATOM 101 C ILE A 12 17.362 -10.214 -0.564 1.00 0.00 C ATOM 102 O ILE A 12 16.477 -9.368 -0.699 1.00 0.00 O ATOM 103 CB ILE A 12 17.828 -11.134 1.729 1.00 0.00 C ATOM 104 CG1 ILE A 12 16.627 -10.543 2.473 1.00 0.00 C ATOM 105 CG2 ILE A 12 18.960 -11.449 2.696 1.00 0.00 C ATOM 106 CD1 ILE A 12 16.058 -11.454 3.543 1.00 0.00 C ATOM 0 H ILE A 12 17.570 -8.379 1.413 1.00 0.00 H new ATOM 0 HA ILE A 12 19.304 -10.492 0.303 1.00 0.00 H new ATOM 0 HB ILE A 12 17.510 -12.064 1.258 1.00 0.00 H new ATOM 0 HG12 ILE A 12 16.925 -9.601 2.933 1.00 0.00 H new ATOM 0 HG13 ILE A 12 15.843 -10.312 1.752 1.00 0.00 H new ATOM 0 HG21 ILE A 12 18.601 -12.131 3.467 1.00 0.00 H new ATOM 0 HG22 ILE A 12 19.783 -11.915 2.154 1.00 0.00 H new ATOM 0 HG23 ILE A 12 19.309 -10.527 3.161 1.00 0.00 H new ATOM 0 HD11 ILE A 12 15.211 -10.965 4.024 1.00 0.00 H new ATOM 0 HD12 ILE A 12 15.727 -12.388 3.088 1.00 0.00 H new ATOM 0 HD13 ILE A 12 16.826 -11.665 4.287 1.00 0.00 H new ATOM 118 N HIS A 13 17.576 -11.194 -1.429 1.00 0.00 N ATOM 119 CA HIS A 13 16.811 -11.340 -2.664 1.00 0.00 C ATOM 120 C HIS A 13 15.525 -12.189 -2.518 1.00 0.00 C ATOM 121 O HIS A 13 14.620 -12.021 -3.337 1.00 0.00 O ATOM 122 CB HIS A 13 17.707 -11.930 -3.759 1.00 0.00 C ATOM 123 CG HIS A 13 17.061 -12.001 -5.110 1.00 0.00 C ATOM 124 ND1 HIS A 13 16.960 -10.915 -5.954 1.00 0.00 N ATOM 125 CD2 HIS A 13 16.480 -13.035 -5.761 1.00 0.00 C ATOM 126 CE1 HIS A 13 16.345 -11.280 -7.065 1.00 0.00 C ATOM 127 NE2 HIS A 13 16.046 -12.561 -6.972 1.00 0.00 N ATOM 0 H HIS A 13 18.286 -11.914 -1.296 1.00 0.00 H new ATOM 0 HA HIS A 13 16.477 -10.338 -2.935 1.00 0.00 H new ATOM 0 HB2 HIS A 13 18.614 -11.330 -3.833 1.00 0.00 H new ATOM 0 HB3 HIS A 13 18.012 -12.933 -3.462 1.00 0.00 H new ATOM 0 HD2 HIS A 13 16.377 -14.046 -5.395 1.00 0.00 H new ATOM 0 HE1 HIS A 13 16.125 -10.639 -7.906 1.00 0.00 H new ATOM 0 HE2 HIS A 13 15.569 -13.111 -7.686 1.00 0.00 H new ATOM 136 N PRO A 14 15.425 -13.149 -1.542 1.00 0.00 N ATOM 137 CA PRO A 14 14.193 -13.914 -1.301 1.00 0.00 C ATOM 138 C PRO A 14 12.906 -13.084 -1.426 1.00 0.00 C ATOM 139 O PRO A 14 12.938 -11.860 -1.297 1.00 0.00 O ATOM 140 CB PRO A 14 14.344 -14.394 0.142 1.00 0.00 C ATOM 141 CG PRO A 14 15.806 -14.395 0.437 1.00 0.00 C ATOM 142 CD PRO A 14 16.505 -13.630 -0.662 1.00 0.00 C ATOM 0 HA PRO A 14 14.088 -14.706 -2.043 1.00 0.00 H new ATOM 0 HB2 PRO A 14 13.810 -13.736 0.828 1.00 0.00 H new ATOM 0 HB3 PRO A 14 13.923 -15.392 0.265 1.00 0.00 H new ATOM 0 HG2 PRO A 14 16.000 -13.933 1.405 1.00 0.00 H new ATOM 0 HG3 PRO A 14 16.183 -15.416 0.490 1.00 0.00 H new ATOM 0 HD2 PRO A 14 17.083 -12.799 -0.258 1.00 0.00 H new ATOM 0 HD3 PRO A 14 17.201 -14.269 -1.205 1.00 0.00 H new ATOM 150 N PRO A 15 11.754 -13.753 -1.653 1.00 0.00 N ATOM 151 CA PRO A 15 10.449 -13.108 -1.828 1.00 0.00 C ATOM 152 C PRO A 15 10.229 -11.898 -0.914 1.00 0.00 C ATOM 153 O PRO A 15 10.662 -11.882 0.243 1.00 0.00 O ATOM 154 CB PRO A 15 9.442 -14.220 -1.493 1.00 0.00 C ATOM 155 CG PRO A 15 10.246 -15.463 -1.247 1.00 0.00 C ATOM 156 CD PRO A 15 11.629 -15.204 -1.776 1.00 0.00 C ATOM 0 HA PRO A 15 10.350 -12.705 -2.836 1.00 0.00 H new ATOM 0 HB2 PRO A 15 8.853 -13.958 -0.614 1.00 0.00 H new ATOM 0 HB3 PRO A 15 8.740 -14.368 -2.314 1.00 0.00 H new ATOM 0 HG2 PRO A 15 10.278 -15.697 -0.183 1.00 0.00 H new ATOM 0 HG3 PRO A 15 9.795 -16.319 -1.749 1.00 0.00 H new ATOM 0 HD2 PRO A 15 12.389 -15.726 -1.195 1.00 0.00 H new ATOM 0 HD3 PRO A 15 11.735 -15.533 -2.810 1.00 0.00 H new ATOM 164 N PRO A 16 9.526 -10.877 -1.435 1.00 0.00 N ATOM 165 CA PRO A 16 9.288 -9.590 -0.752 1.00 0.00 C ATOM 166 C PRO A 16 8.407 -9.686 0.487 1.00 0.00 C ATOM 167 O PRO A 16 7.696 -8.741 0.811 1.00 0.00 O ATOM 168 CB PRO A 16 8.573 -8.754 -1.818 1.00 0.00 C ATOM 169 CG PRO A 16 7.946 -9.753 -2.710 1.00 0.00 C ATOM 170 CD PRO A 16 8.919 -10.890 -2.772 1.00 0.00 C ATOM 0 HA PRO A 16 10.227 -9.177 -0.385 1.00 0.00 H new ATOM 0 HB2 PRO A 16 7.827 -8.096 -1.372 1.00 0.00 H new ATOM 0 HB3 PRO A 16 9.274 -8.120 -2.362 1.00 0.00 H new ATOM 0 HG2 PRO A 16 6.983 -10.080 -2.319 1.00 0.00 H new ATOM 0 HG3 PRO A 16 7.763 -9.337 -3.701 1.00 0.00 H new ATOM 0 HD2 PRO A 16 8.421 -11.837 -2.980 1.00 0.00 H new ATOM 0 HD3 PRO A 16 9.663 -10.743 -3.555 1.00 0.00 H new ATOM 178 N ARG A 17 8.467 -10.808 1.186 1.00 0.00 N ATOM 179 CA ARG A 17 7.722 -10.972 2.424 1.00 0.00 C ATOM 180 C ARG A 17 8.486 -10.348 3.583 1.00 0.00 C ATOM 181 O ARG A 17 8.021 -10.349 4.722 1.00 0.00 O ATOM 182 CB ARG A 17 7.398 -12.456 2.682 1.00 0.00 C ATOM 183 CG ARG A 17 8.500 -13.438 2.295 1.00 0.00 C ATOM 184 CD ARG A 17 9.601 -13.532 3.341 1.00 0.00 C ATOM 185 NE ARG A 17 10.608 -14.532 2.980 1.00 0.00 N ATOM 186 CZ ARG A 17 11.574 -14.951 3.800 1.00 0.00 C ATOM 187 NH1 ARG A 17 11.639 -14.501 5.047 1.00 0.00 N ATOM 188 NH2 ARG A 17 12.467 -15.840 3.381 1.00 0.00 N ATOM 0 H ARG A 17 9.024 -11.619 0.917 1.00 0.00 H new ATOM 0 HA ARG A 17 6.769 -10.450 2.332 1.00 0.00 H new ATOM 0 HB2 ARG A 17 7.175 -12.584 3.741 1.00 0.00 H new ATOM 0 HB3 ARG A 17 6.493 -12.715 2.132 1.00 0.00 H new ATOM 0 HG2 ARG A 17 8.064 -14.425 2.144 1.00 0.00 H new ATOM 0 HG3 ARG A 17 8.935 -13.132 1.343 1.00 0.00 H new ATOM 0 HD2 ARG A 17 10.079 -12.559 3.455 1.00 0.00 H new ATOM 0 HD3 ARG A 17 9.165 -13.787 4.307 1.00 0.00 H new ATOM 0 HE ARG A 17 10.569 -14.933 2.043 1.00 0.00 H new ATOM 0 HH11 ARG A 17 10.948 -13.831 5.384 1.00 0.00 H new ATOM 0 HH12 ARG A 17 12.380 -14.826 5.668 1.00 0.00 H new ATOM 0 HH21 ARG A 17 12.416 -16.205 2.430 1.00 0.00 H new ATOM 0 HH22 ARG A 17 13.204 -16.158 4.010 1.00 0.00 H new ATOM 202 N THR A 18 9.651 -9.787 3.262 1.00 0.00 N ATOM 203 CA THR A 18 10.495 -9.126 4.249 1.00 0.00 C ATOM 204 C THR A 18 11.761 -8.564 3.597 1.00 0.00 C ATOM 205 O THR A 18 12.425 -7.692 4.159 1.00 0.00 O ATOM 206 CB THR A 18 10.895 -10.104 5.371 1.00 0.00 C ATOM 207 OG1 THR A 18 11.624 -9.425 6.403 1.00 0.00 O ATOM 208 CG2 THR A 18 11.740 -11.240 4.808 1.00 0.00 C ATOM 0 H THR A 18 10.032 -9.779 2.316 1.00 0.00 H new ATOM 0 HA THR A 18 9.918 -8.306 4.676 1.00 0.00 H new ATOM 0 HB THR A 18 9.982 -10.516 5.801 1.00 0.00 H new ATOM 0 HG1 THR A 18 11.867 -10.063 7.106 1.00 0.00 H new ATOM 0 HG21 THR A 18 12.015 -11.922 5.612 1.00 0.00 H new ATOM 0 HG22 THR A 18 11.168 -11.780 4.054 1.00 0.00 H new ATOM 0 HG23 THR A 18 12.643 -10.831 4.355 1.00 0.00 H new ATOM 216 N SER A 19 12.083 -9.048 2.401 1.00 0.00 N ATOM 217 CA SER A 19 13.341 -8.699 1.767 1.00 0.00 C ATOM 218 C SER A 19 13.288 -7.317 1.146 1.00 0.00 C ATOM 219 O SER A 19 13.743 -6.359 1.757 1.00 0.00 O ATOM 220 CB SER A 19 13.708 -9.746 0.721 1.00 0.00 C ATOM 221 OG SER A 19 13.473 -11.053 1.212 1.00 0.00 O ATOM 0 H SER A 19 11.492 -9.678 1.858 1.00 0.00 H new ATOM 0 HA SER A 19 14.113 -8.681 2.536 1.00 0.00 H new ATOM 0 HB2 SER A 19 13.123 -9.582 -0.184 1.00 0.00 H new ATOM 0 HB3 SER A 19 14.757 -9.639 0.446 1.00 0.00 H new ATOM 0 HG SER A 19 13.079 -11.603 0.503 1.00 0.00 H new ATOM 227 N MET A 20 12.716 -7.206 -0.045 1.00 0.00 N ATOM 228 CA MET A 20 12.655 -5.927 -0.734 1.00 0.00 C ATOM 229 C MET A 20 11.581 -5.034 -0.124 1.00 0.00 C ATOM 230 O MET A 20 10.486 -4.880 -0.670 1.00 0.00 O ATOM 231 CB MET A 20 12.403 -6.122 -2.232 1.00 0.00 C ATOM 232 CG MET A 20 11.246 -7.052 -2.544 1.00 0.00 C ATOM 233 SD MET A 20 10.774 -7.034 -4.286 1.00 0.00 S ATOM 234 CE MET A 20 12.257 -7.699 -5.040 1.00 0.00 C ATOM 0 H MET A 20 12.290 -7.982 -0.551 1.00 0.00 H new ATOM 0 HA MET A 20 13.620 -5.436 -0.613 1.00 0.00 H new ATOM 0 HB2 MET A 20 12.209 -5.151 -2.687 1.00 0.00 H new ATOM 0 HB3 MET A 20 13.308 -6.516 -2.695 1.00 0.00 H new ATOM 0 HG2 MET A 20 11.517 -8.068 -2.258 1.00 0.00 H new ATOM 0 HG3 MET A 20 10.386 -6.768 -1.938 1.00 0.00 H new ATOM 0 HE1 MET A 20 12.059 -7.934 -6.086 1.00 0.00 H new ATOM 0 HE2 MET A 20 13.058 -6.962 -4.979 1.00 0.00 H new ATOM 0 HE3 MET A 20 12.557 -8.606 -4.515 1.00 0.00 H new ATOM 244 N THR A 21 11.898 -4.465 1.021 1.00 0.00 N ATOM 245 CA THR A 21 11.003 -3.538 1.670 1.00 0.00 C ATOM 246 C THR A 21 11.164 -2.163 1.040 1.00 0.00 C ATOM 247 O THR A 21 12.207 -1.529 1.173 1.00 0.00 O ATOM 248 CB THR A 21 11.301 -3.454 3.181 1.00 0.00 C ATOM 249 OG1 THR A 21 11.201 -4.760 3.771 1.00 0.00 O ATOM 250 CG2 THR A 21 10.343 -2.498 3.879 1.00 0.00 C ATOM 0 H THR A 21 12.772 -4.631 1.520 1.00 0.00 H new ATOM 0 HA THR A 21 9.979 -3.890 1.541 1.00 0.00 H new ATOM 0 HB THR A 21 12.314 -3.073 3.307 1.00 0.00 H new ATOM 0 HG1 THR A 21 11.393 -4.701 4.730 1.00 0.00 H new ATOM 0 HG21 THR A 21 10.578 -2.460 4.943 1.00 0.00 H new ATOM 0 HG22 THR A 21 10.445 -1.502 3.449 1.00 0.00 H new ATOM 0 HG23 THR A 21 9.319 -2.847 3.746 1.00 0.00 H new ATOM 258 N GLU A 22 10.127 -1.692 0.376 1.00 0.00 N ATOM 259 CA GLU A 22 10.199 -0.403 -0.276 1.00 0.00 C ATOM 260 C GLU A 22 9.649 0.636 0.674 1.00 0.00 C ATOM 261 O GLU A 22 8.491 0.566 1.084 1.00 0.00 O ATOM 262 CB GLU A 22 9.415 -0.427 -1.598 1.00 0.00 C ATOM 263 CG GLU A 22 9.588 0.820 -2.464 1.00 0.00 C ATOM 264 CD GLU A 22 9.400 0.523 -3.942 1.00 0.00 C ATOM 265 OE1 GLU A 22 9.885 -0.535 -4.409 1.00 0.00 O ATOM 266 OE2 GLU A 22 8.753 1.326 -4.646 1.00 0.00 O ATOM 0 H GLU A 22 9.235 -2.177 0.275 1.00 0.00 H new ATOM 0 HA GLU A 22 11.232 -0.158 -0.521 1.00 0.00 H new ATOM 0 HB2 GLU A 22 9.726 -1.299 -2.174 1.00 0.00 H new ATOM 0 HB3 GLU A 22 8.356 -0.554 -1.375 1.00 0.00 H new ATOM 0 HG2 GLU A 22 8.869 1.579 -2.153 1.00 0.00 H new ATOM 0 HG3 GLU A 22 10.582 1.237 -2.303 1.00 0.00 H new ATOM 273 N GLU A 23 10.492 1.574 1.052 1.00 0.00 N ATOM 274 CA GLU A 23 10.106 2.572 2.024 1.00 0.00 C ATOM 275 C GLU A 23 9.724 3.837 1.292 1.00 0.00 C ATOM 276 O GLU A 23 10.584 4.577 0.806 1.00 0.00 O ATOM 277 CB GLU A 23 11.251 2.839 3.003 1.00 0.00 C ATOM 278 CG GLU A 23 10.818 3.524 4.288 1.00 0.00 C ATOM 279 CD GLU A 23 10.015 2.603 5.181 1.00 0.00 C ATOM 280 OE1 GLU A 23 10.626 1.728 5.829 1.00 0.00 O ATOM 281 OE2 GLU A 23 8.779 2.748 5.233 1.00 0.00 O ATOM 0 H GLU A 23 11.446 1.665 0.702 1.00 0.00 H new ATOM 0 HA GLU A 23 9.254 2.213 2.602 1.00 0.00 H new ATOM 0 HB2 GLU A 23 11.731 1.892 3.252 1.00 0.00 H new ATOM 0 HB3 GLU A 23 12.001 3.457 2.509 1.00 0.00 H new ATOM 0 HG2 GLU A 23 11.699 3.873 4.827 1.00 0.00 H new ATOM 0 HG3 GLU A 23 10.222 4.404 4.046 1.00 0.00 H new ATOM 288 N TYR A 24 8.438 4.084 1.227 1.00 0.00 N ATOM 289 CA TYR A 24 7.909 5.109 0.364 1.00 0.00 C ATOM 290 C TYR A 24 7.813 6.444 1.074 1.00 0.00 C ATOM 291 O TYR A 24 7.113 6.584 2.081 1.00 0.00 O ATOM 292 CB TYR A 24 6.541 4.687 -0.152 1.00 0.00 C ATOM 293 CG TYR A 24 6.484 4.601 -1.655 1.00 0.00 C ATOM 294 CD1 TYR A 24 6.317 5.742 -2.418 1.00 0.00 C ATOM 295 CD2 TYR A 24 6.614 3.385 -2.309 1.00 0.00 C ATOM 296 CE1 TYR A 24 6.273 5.678 -3.793 1.00 0.00 C ATOM 297 CE2 TYR A 24 6.576 3.313 -3.685 1.00 0.00 C ATOM 298 CZ TYR A 24 6.405 4.462 -4.423 1.00 0.00 C ATOM 299 OH TYR A 24 6.366 4.395 -5.795 1.00 0.00 O ATOM 0 H TYR A 24 7.733 3.583 1.768 1.00 0.00 H new ATOM 0 HA TYR A 24 8.594 5.233 -0.475 1.00 0.00 H new ATOM 0 HB2 TYR A 24 6.281 3.717 0.273 1.00 0.00 H new ATOM 0 HB3 TYR A 24 5.792 5.398 0.195 1.00 0.00 H new ATOM 0 HD1 TYR A 24 6.219 6.699 -1.928 1.00 0.00 H new ATOM 0 HD2 TYR A 24 6.747 2.482 -1.732 1.00 0.00 H new ATOM 0 HE1 TYR A 24 6.136 6.578 -4.374 1.00 0.00 H new ATOM 0 HE2 TYR A 24 6.680 2.360 -4.182 1.00 0.00 H new ATOM 0 HH TYR A 24 6.475 3.464 -6.080 1.00 0.00 H new ATOM 309 N ARG A 25 8.537 7.417 0.544 1.00 0.00 N ATOM 310 CA ARG A 25 8.493 8.770 1.056 1.00 0.00 C ATOM 311 C ARG A 25 7.287 9.492 0.488 1.00 0.00 C ATOM 312 O ARG A 25 7.299 9.956 -0.652 1.00 0.00 O ATOM 313 CB ARG A 25 9.769 9.530 0.697 1.00 0.00 C ATOM 314 CG ARG A 25 11.027 8.937 1.304 1.00 0.00 C ATOM 315 CD ARG A 25 12.231 9.823 1.039 1.00 0.00 C ATOM 316 NE ARG A 25 12.029 11.173 1.566 1.00 0.00 N ATOM 317 CZ ARG A 25 12.988 12.087 1.674 1.00 0.00 C ATOM 318 NH1 ARG A 25 14.223 11.812 1.277 1.00 0.00 N ATOM 319 NH2 ARG A 25 12.699 13.283 2.169 1.00 0.00 N ATOM 0 H ARG A 25 9.167 7.289 -0.248 1.00 0.00 H new ATOM 0 HA ARG A 25 8.414 8.726 2.142 1.00 0.00 H new ATOM 0 HB2 ARG A 25 9.875 9.551 -0.388 1.00 0.00 H new ATOM 0 HB3 ARG A 25 9.670 10.564 1.027 1.00 0.00 H new ATOM 0 HG2 ARG A 25 10.892 8.813 2.378 1.00 0.00 H new ATOM 0 HG3 ARG A 25 11.203 7.945 0.888 1.00 0.00 H new ATOM 0 HD2 ARG A 25 13.117 9.382 1.496 1.00 0.00 H new ATOM 0 HD3 ARG A 25 12.418 9.874 -0.034 1.00 0.00 H new ATOM 0 HE ARG A 25 11.090 11.430 1.871 1.00 0.00 H new ATOM 0 HH11 ARG A 25 14.441 10.895 0.886 1.00 0.00 H new ATOM 0 HH12 ARG A 25 14.955 12.517 1.362 1.00 0.00 H new ATOM 0 HH21 ARG A 25 11.746 13.496 2.464 1.00 0.00 H new ATOM 0 HH22 ARG A 25 13.430 13.990 2.255 1.00 0.00 H new ATOM 333 N VAL A 26 6.241 9.552 1.276 1.00 0.00 N ATOM 334 CA VAL A 26 5.027 10.221 0.873 1.00 0.00 C ATOM 335 C VAL A 26 4.763 11.407 1.792 1.00 0.00 C ATOM 336 O VAL A 26 4.688 11.260 3.008 1.00 0.00 O ATOM 337 CB VAL A 26 3.831 9.241 0.859 1.00 0.00 C ATOM 338 CG1 VAL A 26 3.884 8.311 2.055 1.00 0.00 C ATOM 339 CG2 VAL A 26 2.509 9.987 0.821 1.00 0.00 C ATOM 0 H VAL A 26 6.206 9.141 2.209 1.00 0.00 H new ATOM 0 HA VAL A 26 5.150 10.592 -0.144 1.00 0.00 H new ATOM 0 HB VAL A 26 3.904 8.641 -0.048 1.00 0.00 H new ATOM 0 HG11 VAL A 26 3.033 7.630 2.025 1.00 0.00 H new ATOM 0 HG12 VAL A 26 4.810 7.736 2.028 1.00 0.00 H new ATOM 0 HG13 VAL A 26 3.847 8.897 2.973 1.00 0.00 H new ATOM 0 HG21 VAL A 26 1.687 9.271 0.812 1.00 0.00 H new ATOM 0 HG22 VAL A 26 2.425 10.624 1.701 1.00 0.00 H new ATOM 0 HG23 VAL A 26 2.464 10.602 -0.078 1.00 0.00 H new ATOM 349 N PRO A 27 4.636 12.602 1.214 1.00 0.00 N ATOM 350 CA PRO A 27 4.491 13.834 1.984 1.00 0.00 C ATOM 351 C PRO A 27 3.176 13.871 2.751 1.00 0.00 C ATOM 352 O PRO A 27 2.195 13.253 2.336 1.00 0.00 O ATOM 353 CB PRO A 27 4.550 14.938 0.928 1.00 0.00 C ATOM 354 CG PRO A 27 4.188 14.275 -0.354 1.00 0.00 C ATOM 355 CD PRO A 27 4.616 12.840 -0.231 1.00 0.00 C ATOM 0 HA PRO A 27 5.264 13.938 2.745 1.00 0.00 H new ATOM 0 HB2 PRO A 27 3.856 15.745 1.163 1.00 0.00 H new ATOM 0 HB3 PRO A 27 5.545 15.379 0.875 1.00 0.00 H new ATOM 0 HG2 PRO A 27 3.116 14.345 -0.537 1.00 0.00 H new ATOM 0 HG3 PRO A 27 4.687 14.758 -1.194 1.00 0.00 H new ATOM 0 HD2 PRO A 27 3.920 12.171 -0.737 1.00 0.00 H new ATOM 0 HD3 PRO A 27 5.597 12.676 -0.677 1.00 0.00 H new ATOM 363 N ASP A 28 3.166 14.594 3.860 1.00 0.00 N ATOM 364 CA ASP A 28 2.075 14.518 4.833 1.00 0.00 C ATOM 365 C ASP A 28 0.698 14.731 4.189 1.00 0.00 C ATOM 366 O ASP A 28 -0.261 14.011 4.491 1.00 0.00 O ATOM 367 CB ASP A 28 2.314 15.531 5.956 1.00 0.00 C ATOM 368 CG ASP A 28 1.271 15.448 7.056 1.00 0.00 C ATOM 369 OD1 ASP A 28 0.218 16.108 6.938 1.00 0.00 O ATOM 370 OD2 ASP A 28 1.504 14.727 8.055 1.00 0.00 O ATOM 0 H ASP A 28 3.907 15.248 4.115 1.00 0.00 H new ATOM 0 HA ASP A 28 2.070 13.510 5.248 1.00 0.00 H new ATOM 0 HB2 ASP A 28 3.302 15.364 6.385 1.00 0.00 H new ATOM 0 HB3 ASP A 28 2.314 16.537 5.537 1.00 0.00 H new ATOM 375 N GLY A 29 0.603 15.691 3.283 1.00 0.00 N ATOM 376 CA GLY A 29 -0.655 15.925 2.592 1.00 0.00 C ATOM 377 C GLY A 29 -1.047 14.765 1.688 1.00 0.00 C ATOM 378 O GLY A 29 -2.221 14.376 1.614 1.00 0.00 O ATOM 0 H GLY A 29 1.367 16.311 3.012 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -1.443 16.092 3.326 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -0.575 16.835 1.997 1.00 0.00 H new ATOM 382 N MET A 30 -0.058 14.168 1.038 1.00 0.00 N ATOM 383 CA MET A 30 -0.326 13.134 0.052 1.00 0.00 C ATOM 384 C MET A 30 -0.627 11.799 0.717 1.00 0.00 C ATOM 385 O MET A 30 -1.278 10.951 0.122 1.00 0.00 O ATOM 386 CB MET A 30 0.835 12.984 -0.931 1.00 0.00 C ATOM 387 CG MET A 30 1.106 14.230 -1.761 1.00 0.00 C ATOM 388 SD MET A 30 -0.377 14.906 -2.538 1.00 0.00 S ATOM 389 CE MET A 30 -0.851 13.556 -3.617 1.00 0.00 C ATOM 0 H MET A 30 0.930 14.381 1.175 1.00 0.00 H new ATOM 0 HA MET A 30 -1.208 13.446 -0.507 1.00 0.00 H new ATOM 0 HB2 MET A 30 1.737 12.726 -0.376 1.00 0.00 H new ATOM 0 HB3 MET A 30 0.625 12.151 -1.602 1.00 0.00 H new ATOM 0 HG2 MET A 30 1.554 14.993 -1.124 1.00 0.00 H new ATOM 0 HG3 MET A 30 1.836 13.992 -2.534 1.00 0.00 H new ATOM 0 HE1 MET A 30 -1.435 13.945 -4.451 1.00 0.00 H new ATOM 0 HE2 MET A 30 0.044 13.064 -3.998 1.00 0.00 H new ATOM 0 HE3 MET A 30 -1.451 12.837 -3.059 1.00 0.00 H new ATOM 399 N VAL A 31 -0.164 11.600 1.947 1.00 0.00 N ATOM 400 CA VAL A 31 -0.544 10.399 2.684 1.00 0.00 C ATOM 401 C VAL A 31 -1.987 10.524 3.160 1.00 0.00 C ATOM 402 O VAL A 31 -2.713 9.533 3.259 1.00 0.00 O ATOM 403 CB VAL A 31 0.397 10.082 3.872 1.00 0.00 C ATOM 404 CG1 VAL A 31 0.597 11.289 4.759 1.00 0.00 C ATOM 405 CG2 VAL A 31 -0.141 8.909 4.681 1.00 0.00 C ATOM 0 H VAL A 31 0.459 12.236 2.445 1.00 0.00 H new ATOM 0 HA VAL A 31 -0.450 9.559 1.995 1.00 0.00 H new ATOM 0 HB VAL A 31 1.369 9.808 3.461 1.00 0.00 H new ATOM 0 HG11 VAL A 31 1.263 11.029 5.582 1.00 0.00 H new ATOM 0 HG12 VAL A 31 1.038 12.099 4.178 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.365 11.611 5.158 1.00 0.00 H new ATOM 0 HG21 VAL A 31 0.533 8.700 5.512 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.129 9.157 5.069 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -0.213 8.029 4.042 1.00 0.00 H new ATOM 415 N GLY A 32 -2.417 11.753 3.423 1.00 0.00 N ATOM 416 CA GLY A 32 -3.822 11.985 3.681 1.00 0.00 C ATOM 417 C GLY A 32 -4.665 11.595 2.481 1.00 0.00 C ATOM 418 O GLY A 32 -5.827 11.215 2.619 1.00 0.00 O ATOM 0 H GLY A 32 -1.825 12.582 3.462 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -4.135 11.410 4.553 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -3.984 13.037 3.917 1.00 0.00 H new ATOM 422 N LEU A 33 -4.071 11.698 1.295 1.00 0.00 N ATOM 423 CA LEU A 33 -4.736 11.271 0.068 1.00 0.00 C ATOM 424 C LEU A 33 -4.483 9.791 -0.271 1.00 0.00 C ATOM 425 O LEU A 33 -5.278 9.183 -0.979 1.00 0.00 O ATOM 426 CB LEU A 33 -4.297 12.143 -1.108 1.00 0.00 C ATOM 427 CG LEU A 33 -4.648 13.626 -0.991 1.00 0.00 C ATOM 428 CD1 LEU A 33 -4.111 14.383 -2.192 1.00 0.00 C ATOM 429 CD2 LEU A 33 -6.155 13.816 -0.867 1.00 0.00 C ATOM 0 H LEU A 33 -3.132 12.073 1.158 1.00 0.00 H new ATOM 0 HA LEU A 33 -5.805 11.387 0.244 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.217 12.051 -1.224 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.750 11.751 -2.018 1.00 0.00 H new ATOM 0 HG LEU A 33 -4.183 14.024 -0.089 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -4.366 15.439 -2.100 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.027 14.274 -2.236 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -4.554 13.981 -3.103 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -6.382 14.879 -0.785 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -6.647 13.407 -1.749 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -6.515 13.298 0.022 1.00 0.00 H new ATOM 441 N ILE A 34 -3.386 9.205 0.218 1.00 0.00 N ATOM 442 CA ILE A 34 -3.079 7.800 -0.095 1.00 0.00 C ATOM 443 C ILE A 34 -4.070 6.890 0.617 1.00 0.00 C ATOM 444 O ILE A 34 -4.336 5.764 0.192 1.00 0.00 O ATOM 445 CB ILE A 34 -1.624 7.393 0.276 1.00 0.00 C ATOM 446 CG1 ILE A 34 -1.270 6.035 -0.329 1.00 0.00 C ATOM 447 CG2 ILE A 34 -1.430 7.327 1.779 1.00 0.00 C ATOM 448 CD1 ILE A 34 -1.401 5.982 -1.832 1.00 0.00 C ATOM 0 H ILE A 34 -2.706 9.668 0.821 1.00 0.00 H new ATOM 0 HA ILE A 34 -3.168 7.688 -1.176 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.965 8.160 -0.132 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -0.246 5.782 -0.054 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -1.915 5.274 0.109 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -0.402 7.040 2.001 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -1.636 8.304 2.216 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.112 6.589 2.202 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -1.133 4.987 -2.186 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -2.430 6.203 -2.116 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -0.735 6.718 -2.281 1.00 0.00 H new ATOM 460 N ILE A 35 -4.610 7.396 1.711 1.00 0.00 N ATOM 461 CA ILE A 35 -5.682 6.719 2.409 1.00 0.00 C ATOM 462 C ILE A 35 -7.026 7.079 1.795 1.00 0.00 C ATOM 463 O ILE A 35 -8.034 6.424 2.071 1.00 0.00 O ATOM 464 CB ILE A 35 -5.689 7.046 3.907 1.00 0.00 C ATOM 465 CG1 ILE A 35 -5.587 8.556 4.145 1.00 0.00 C ATOM 466 CG2 ILE A 35 -4.563 6.305 4.607 1.00 0.00 C ATOM 467 CD1 ILE A 35 -5.535 8.944 5.608 1.00 0.00 C ATOM 0 H ILE A 35 -4.321 8.277 2.135 1.00 0.00 H new ATOM 0 HA ILE A 35 -5.510 5.648 2.303 1.00 0.00 H new ATOM 0 HB ILE A 35 -6.638 6.714 4.328 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -4.694 8.933 3.647 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -6.442 9.046 3.679 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -4.576 6.544 5.670 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -4.696 5.231 4.474 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -3.607 6.607 4.179 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -5.463 10.028 5.695 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -6.440 8.599 6.108 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -4.664 8.484 6.076 1.00 0.00 H new ATOM 479 N GLY A 36 -7.018 8.138 0.980 1.00 0.00 N ATOM 480 CA GLY A 36 -8.189 8.561 0.230 1.00 0.00 C ATOM 481 C GLY A 36 -9.390 8.828 1.104 1.00 0.00 C ATOM 482 O GLY A 36 -9.582 9.935 1.601 1.00 0.00 O ATOM 0 H GLY A 36 -6.196 8.722 0.826 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -7.947 9.464 -0.330 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -8.442 7.792 -0.500 1.00 0.00 H new ATOM 486 N ARG A 37 -10.186 7.795 1.293 1.00 0.00 N ATOM 487 CA ARG A 37 -11.385 7.855 2.110 1.00 0.00 C ATOM 488 C ARG A 37 -11.048 7.820 3.607 1.00 0.00 C ATOM 489 O ARG A 37 -11.662 7.083 4.382 1.00 0.00 O ATOM 490 CB ARG A 37 -12.280 6.683 1.727 1.00 0.00 C ATOM 491 CG ARG A 37 -11.553 5.348 1.767 1.00 0.00 C ATOM 492 CD ARG A 37 -11.984 4.447 0.617 1.00 0.00 C ATOM 493 NE ARG A 37 -13.380 4.025 0.734 1.00 0.00 N ATOM 494 CZ ARG A 37 -14.169 3.754 -0.307 1.00 0.00 C ATOM 495 NH1 ARG A 37 -13.712 3.889 -1.548 1.00 0.00 N ATOM 496 NH2 ARG A 37 -15.416 3.345 -0.104 1.00 0.00 N ATOM 0 H ARG A 37 -10.018 6.878 0.879 1.00 0.00 H new ATOM 0 HA ARG A 37 -11.902 8.797 1.928 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -13.133 6.647 2.404 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -12.675 6.846 0.724 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -10.477 5.516 1.716 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -11.754 4.851 2.716 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -11.844 4.974 -0.327 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -11.342 3.567 0.588 1.00 0.00 H new ATOM 0 HE ARG A 37 -13.775 3.932 1.670 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -12.754 4.201 -1.708 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -14.319 3.681 -2.341 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -15.769 3.238 0.847 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -16.020 3.137 -0.899 1.00 0.00 H new ATOM 510 N GLY A 38 -10.049 8.604 3.990 1.00 0.00 N ATOM 511 CA GLY A 38 -9.700 8.772 5.386 1.00 0.00 C ATOM 512 C GLY A 38 -8.989 7.579 6.002 1.00 0.00 C ATOM 513 O GLY A 38 -8.865 7.496 7.222 1.00 0.00 O ATOM 0 H GLY A 38 -9.465 9.135 3.345 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -9.063 9.651 5.486 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -10.609 8.971 5.954 1.00 0.00 H new ATOM 517 N GLY A 39 -8.517 6.658 5.175 1.00 0.00 N ATOM 518 CA GLY A 39 -7.745 5.543 5.693 1.00 0.00 C ATOM 519 C GLY A 39 -8.154 4.221 5.086 1.00 0.00 C ATOM 520 O GLY A 39 -7.315 3.359 4.823 1.00 0.00 O ATOM 0 H GLY A 39 -8.652 6.660 4.164 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -6.687 5.717 5.497 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -7.865 5.494 6.775 1.00 0.00 H new ATOM 524 N GLU A 40 -9.445 4.085 4.836 1.00 0.00 N ATOM 525 CA GLU A 40 -10.025 2.841 4.347 1.00 0.00 C ATOM 526 C GLU A 40 -9.393 2.379 3.029 1.00 0.00 C ATOM 527 O GLU A 40 -9.239 1.183 2.810 1.00 0.00 O ATOM 528 CB GLU A 40 -11.532 3.033 4.177 1.00 0.00 C ATOM 529 CG GLU A 40 -12.255 1.842 3.578 1.00 0.00 C ATOM 530 CD GLU A 40 -13.709 2.148 3.293 1.00 0.00 C ATOM 531 OE1 GLU A 40 -14.092 3.340 3.328 1.00 0.00 O ATOM 532 OE2 GLU A 40 -14.476 1.208 3.021 1.00 0.00 O ATOM 0 H GLU A 40 -10.124 4.835 4.966 1.00 0.00 H new ATOM 0 HA GLU A 40 -9.823 2.059 5.079 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -11.969 3.255 5.151 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -11.705 3.903 3.544 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -11.759 1.544 2.654 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -12.190 0.996 4.262 1.00 0.00 H new ATOM 539 N GLN A 41 -9.001 3.322 2.171 1.00 0.00 N ATOM 540 CA GLN A 41 -8.517 2.973 0.833 1.00 0.00 C ATOM 541 C GLN A 41 -7.292 2.072 0.904 1.00 0.00 C ATOM 542 O GLN A 41 -7.260 1.007 0.292 1.00 0.00 O ATOM 543 CB GLN A 41 -8.175 4.216 0.014 1.00 0.00 C ATOM 544 CG GLN A 41 -7.820 3.903 -1.431 1.00 0.00 C ATOM 545 CD GLN A 41 -7.300 5.110 -2.180 1.00 0.00 C ATOM 546 OE1 GLN A 41 -8.062 5.856 -2.790 1.00 0.00 O ATOM 547 NE2 GLN A 41 -5.996 5.307 -2.137 1.00 0.00 N ATOM 0 H GLN A 41 -9.008 4.322 2.374 1.00 0.00 H new ATOM 0 HA GLN A 41 -9.329 2.438 0.340 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -9.023 4.900 0.033 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -7.338 4.733 0.483 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -7.067 3.115 -1.453 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -8.702 3.516 -1.942 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -5.400 4.662 -1.618 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -5.584 6.104 -2.622 1.00 0.00 H new ATOM 556 N ILE A 42 -6.283 2.494 1.659 1.00 0.00 N ATOM 557 CA ILE A 42 -5.062 1.715 1.766 1.00 0.00 C ATOM 558 C ILE A 42 -5.354 0.371 2.421 1.00 0.00 C ATOM 559 O ILE A 42 -4.846 -0.655 1.981 1.00 0.00 O ATOM 560 CB ILE A 42 -3.947 2.464 2.538 1.00 0.00 C ATOM 561 CG1 ILE A 42 -2.635 1.676 2.488 1.00 0.00 C ATOM 562 CG2 ILE A 42 -4.347 2.736 3.982 1.00 0.00 C ATOM 563 CD1 ILE A 42 -2.069 1.526 1.091 1.00 0.00 C ATOM 0 H ILE A 42 -6.288 3.360 2.198 1.00 0.00 H new ATOM 0 HA ILE A 42 -4.692 1.552 0.754 1.00 0.00 H new ATOM 0 HB ILE A 42 -3.800 3.426 2.048 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -1.898 2.174 3.118 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -2.800 0.686 2.912 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -3.539 3.263 4.490 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -5.248 3.349 4.001 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -4.540 1.791 4.490 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -1.140 0.957 1.134 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -2.787 1.001 0.462 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -1.872 2.512 0.671 1.00 0.00 H new ATOM 575 N ASN A 43 -6.211 0.384 3.443 1.00 0.00 N ATOM 576 CA ASN A 43 -6.616 -0.835 4.135 1.00 0.00 C ATOM 577 C ASN A 43 -7.250 -1.813 3.161 1.00 0.00 C ATOM 578 O ASN A 43 -6.999 -3.018 3.224 1.00 0.00 O ATOM 579 CB ASN A 43 -7.587 -0.513 5.276 1.00 0.00 C ATOM 580 CG ASN A 43 -6.870 -0.115 6.550 1.00 0.00 C ATOM 581 OD1 ASN A 43 -5.767 -0.586 6.830 1.00 0.00 O ATOM 582 ND2 ASN A 43 -7.496 0.749 7.333 1.00 0.00 N ATOM 0 H ASN A 43 -6.640 1.234 3.810 1.00 0.00 H new ATOM 0 HA ASN A 43 -5.726 -1.297 4.562 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -8.250 0.295 4.968 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -8.214 -1.383 5.472 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -7.065 1.050 8.207 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -8.409 1.114 7.062 1.00 0.00 H new ATOM 589 N LYS A 44 -8.063 -1.285 2.255 1.00 0.00 N ATOM 590 CA LYS A 44 -8.660 -2.092 1.207 1.00 0.00 C ATOM 591 C LYS A 44 -7.583 -2.720 0.347 1.00 0.00 C ATOM 592 O LYS A 44 -7.477 -3.933 0.278 1.00 0.00 O ATOM 593 CB LYS A 44 -9.583 -1.259 0.314 1.00 0.00 C ATOM 594 CG LYS A 44 -10.836 -0.758 1.007 1.00 0.00 C ATOM 595 CD LYS A 44 -11.631 -1.888 1.648 1.00 0.00 C ATOM 596 CE LYS A 44 -12.259 -2.806 0.606 1.00 0.00 C ATOM 597 NZ LYS A 44 -13.168 -2.071 -0.310 1.00 0.00 N ATOM 0 H LYS A 44 -8.322 -0.299 2.228 1.00 0.00 H new ATOM 0 HA LYS A 44 -9.249 -2.869 1.693 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -9.026 -0.403 -0.067 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -9.874 -1.859 -0.548 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -10.560 -0.031 1.771 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -11.465 -0.238 0.285 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -10.976 -2.470 2.296 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -12.413 -1.468 2.280 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -11.472 -3.287 0.026 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -12.814 -3.598 1.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -13.796 -2.746 -0.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -13.740 -1.396 0.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -12.606 -1.556 -1.017 1.00 0.00 H new ATOM 611 N ILE A 45 -6.766 -1.881 -0.274 1.00 0.00 N ATOM 612 CA ILE A 45 -5.792 -2.335 -1.257 1.00 0.00 C ATOM 613 C ILE A 45 -4.748 -3.277 -0.657 1.00 0.00 C ATOM 614 O ILE A 45 -4.402 -4.285 -1.278 1.00 0.00 O ATOM 615 CB ILE A 45 -5.101 -1.139 -1.967 1.00 0.00 C ATOM 616 CG1 ILE A 45 -5.982 -0.614 -3.108 1.00 0.00 C ATOM 617 CG2 ILE A 45 -3.727 -1.525 -2.510 1.00 0.00 C ATOM 618 CD1 ILE A 45 -7.320 -0.060 -2.670 1.00 0.00 C ATOM 0 H ILE A 45 -6.759 -0.874 -0.113 1.00 0.00 H new ATOM 0 HA ILE A 45 -6.351 -2.902 -2.001 1.00 0.00 H new ATOM 0 HB ILE A 45 -4.963 -0.353 -1.225 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -5.437 0.166 -3.640 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -6.154 -1.423 -3.818 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -3.274 -0.663 -3.000 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -3.090 -1.852 -1.688 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -3.835 -2.336 -3.230 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -7.873 0.287 -3.543 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -7.890 -0.841 -2.166 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -7.162 0.773 -1.985 1.00 0.00 H new ATOM 630 N GLN A 46 -4.255 -2.979 0.543 1.00 0.00 N ATOM 631 CA GLN A 46 -3.208 -3.808 1.135 1.00 0.00 C ATOM 632 C GLN A 46 -3.754 -5.182 1.531 1.00 0.00 C ATOM 633 O GLN A 46 -3.051 -6.186 1.429 1.00 0.00 O ATOM 634 CB GLN A 46 -2.510 -3.101 2.316 1.00 0.00 C ATOM 635 CG GLN A 46 -3.410 -2.673 3.468 1.00 0.00 C ATOM 636 CD GLN A 46 -3.428 -3.662 4.619 1.00 0.00 C ATOM 637 OE1 GLN A 46 -4.260 -4.563 4.673 1.00 0.00 O ATOM 638 NE2 GLN A 46 -2.513 -3.481 5.559 1.00 0.00 N ATOM 0 H GLN A 46 -4.555 -2.188 1.114 1.00 0.00 H new ATOM 0 HA GLN A 46 -2.444 -3.965 0.374 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -1.743 -3.768 2.710 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -1.999 -2.217 1.933 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -3.078 -1.703 3.838 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -4.426 -2.541 3.096 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -1.840 -2.719 5.475 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -2.482 -4.103 6.367 1.00 0.00 H new ATOM 647 N GLN A 47 -5.016 -5.235 1.943 1.00 0.00 N ATOM 648 CA GLN A 47 -5.656 -6.509 2.262 1.00 0.00 C ATOM 649 C GLN A 47 -6.057 -7.218 0.968 1.00 0.00 C ATOM 650 O GLN A 47 -5.940 -8.439 0.840 1.00 0.00 O ATOM 651 CB GLN A 47 -6.880 -6.265 3.160 1.00 0.00 C ATOM 652 CG GLN A 47 -7.481 -7.523 3.777 1.00 0.00 C ATOM 653 CD GLN A 47 -8.348 -8.315 2.815 1.00 0.00 C ATOM 654 OE1 GLN A 47 -8.405 -9.542 2.880 1.00 0.00 O ATOM 655 NE2 GLN A 47 -9.048 -7.618 1.930 1.00 0.00 N ATOM 0 H GLN A 47 -5.614 -4.417 2.064 1.00 0.00 H new ATOM 0 HA GLN A 47 -4.958 -7.147 2.803 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -6.595 -5.584 3.962 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -7.649 -5.762 2.574 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -6.675 -8.162 4.137 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -8.078 -7.243 4.645 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -8.973 -6.601 1.908 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -9.661 -8.099 1.272 1.00 0.00 H new ATOM 664 N ASP A 48 -6.507 -6.421 0.013 1.00 0.00 N ATOM 665 CA ASP A 48 -6.966 -6.900 -1.285 1.00 0.00 C ATOM 666 C ASP A 48 -5.826 -7.542 -2.071 1.00 0.00 C ATOM 667 O ASP A 48 -6.050 -8.402 -2.922 1.00 0.00 O ATOM 668 CB ASP A 48 -7.564 -5.726 -2.072 1.00 0.00 C ATOM 669 CG ASP A 48 -8.078 -6.125 -3.437 1.00 0.00 C ATOM 670 OD1 ASP A 48 -9.192 -6.683 -3.520 1.00 0.00 O ATOM 671 OD2 ASP A 48 -7.375 -5.867 -4.436 1.00 0.00 O ATOM 0 H ASP A 48 -6.565 -5.408 0.117 1.00 0.00 H new ATOM 0 HA ASP A 48 -7.728 -7.663 -1.129 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -8.380 -5.289 -1.497 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -6.806 -4.951 -2.188 1.00 0.00 H new ATOM 676 N SER A 49 -4.605 -7.122 -1.777 1.00 0.00 N ATOM 677 CA SER A 49 -3.433 -7.668 -2.438 1.00 0.00 C ATOM 678 C SER A 49 -2.750 -8.718 -1.564 1.00 0.00 C ATOM 679 O SER A 49 -2.376 -9.792 -2.043 1.00 0.00 O ATOM 680 CB SER A 49 -2.454 -6.544 -2.786 1.00 0.00 C ATOM 681 OG SER A 49 -2.156 -5.755 -1.646 1.00 0.00 O ATOM 0 H SER A 49 -4.401 -6.403 -1.083 1.00 0.00 H new ATOM 0 HA SER A 49 -3.755 -8.155 -3.359 1.00 0.00 H new ATOM 0 HB2 SER A 49 -1.535 -6.970 -3.188 1.00 0.00 H new ATOM 0 HB3 SER A 49 -2.881 -5.914 -3.566 1.00 0.00 H new ATOM 0 HG SER A 49 -2.954 -5.253 -1.378 1.00 0.00 H new ATOM 687 N GLY A 50 -2.598 -8.404 -0.282 1.00 0.00 N ATOM 688 CA GLY A 50 -1.941 -9.312 0.639 1.00 0.00 C ATOM 689 C GLY A 50 -0.610 -8.771 1.119 1.00 0.00 C ATOM 690 O GLY A 50 0.163 -9.474 1.767 1.00 0.00 O ATOM 0 H GLY A 50 -2.920 -7.532 0.137 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -2.590 -9.491 1.496 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -1.786 -10.274 0.151 1.00 0.00 H new ATOM 694 N CYS A 51 -0.338 -7.516 0.792 1.00 0.00 N ATOM 695 CA CYS A 51 0.911 -6.880 1.180 1.00 0.00 C ATOM 696 C CYS A 51 0.755 -6.141 2.499 1.00 0.00 C ATOM 697 O CYS A 51 -0.235 -5.446 2.723 1.00 0.00 O ATOM 698 CB CYS A 51 1.381 -5.917 0.092 1.00 0.00 C ATOM 699 SG CYS A 51 2.795 -4.885 0.555 1.00 0.00 S ATOM 0 H CYS A 51 -0.968 -6.917 0.258 1.00 0.00 H new ATOM 0 HA CYS A 51 1.661 -7.660 1.308 1.00 0.00 H new ATOM 0 HB2 CYS A 51 1.644 -6.493 -0.795 1.00 0.00 H new ATOM 0 HB3 CYS A 51 0.550 -5.268 -0.184 1.00 0.00 H new ATOM 0 HG CYS A 51 2.978 -3.969 -0.349 1.00 0.00 H new ATOM 705 N LYS A 52 1.748 -6.290 3.356 1.00 0.00 N ATOM 706 CA LYS A 52 1.768 -5.628 4.646 1.00 0.00 C ATOM 707 C LYS A 52 2.213 -4.182 4.480 1.00 0.00 C ATOM 708 O LYS A 52 3.372 -3.841 4.716 1.00 0.00 O ATOM 709 CB LYS A 52 2.717 -6.363 5.590 1.00 0.00 C ATOM 710 CG LYS A 52 2.369 -7.830 5.772 1.00 0.00 C ATOM 711 CD LYS A 52 3.482 -8.575 6.485 1.00 0.00 C ATOM 712 CE LYS A 52 4.716 -8.716 5.605 1.00 0.00 C ATOM 713 NZ LYS A 52 5.868 -9.299 6.352 1.00 0.00 N ATOM 0 H LYS A 52 2.564 -6.874 3.176 1.00 0.00 H new ATOM 0 HA LYS A 52 0.764 -5.642 5.070 1.00 0.00 H new ATOM 0 HB2 LYS A 52 3.734 -6.283 5.206 1.00 0.00 H new ATOM 0 HB3 LYS A 52 2.704 -5.871 6.562 1.00 0.00 H new ATOM 0 HG2 LYS A 52 1.445 -7.919 6.343 1.00 0.00 H new ATOM 0 HG3 LYS A 52 2.188 -8.287 4.799 1.00 0.00 H new ATOM 0 HD2 LYS A 52 3.746 -8.046 7.401 1.00 0.00 H new ATOM 0 HD3 LYS A 52 3.129 -9.564 6.778 1.00 0.00 H new ATOM 0 HE2 LYS A 52 4.481 -9.348 4.749 1.00 0.00 H new ATOM 0 HE3 LYS A 52 4.995 -7.738 5.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 6.580 -9.644 5.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 6.292 -8.570 6.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 5.536 -10.090 6.940 1.00 0.00 H new ATOM 727 N VAL A 53 1.291 -3.346 4.046 1.00 0.00 N ATOM 728 CA VAL A 53 1.574 -1.937 3.849 1.00 0.00 C ATOM 729 C VAL A 53 1.456 -1.205 5.176 1.00 0.00 C ATOM 730 O VAL A 53 0.363 -1.062 5.729 1.00 0.00 O ATOM 731 CB VAL A 53 0.624 -1.312 2.809 1.00 0.00 C ATOM 732 CG1 VAL A 53 1.003 0.131 2.525 1.00 0.00 C ATOM 733 CG2 VAL A 53 0.633 -2.126 1.524 1.00 0.00 C ATOM 0 H VAL A 53 0.334 -3.619 3.822 1.00 0.00 H new ATOM 0 HA VAL A 53 2.590 -1.841 3.467 1.00 0.00 H new ATOM 0 HB VAL A 53 -0.385 -1.323 3.222 1.00 0.00 H new ATOM 0 HG11 VAL A 53 0.317 0.549 1.788 1.00 0.00 H new ATOM 0 HG12 VAL A 53 0.943 0.711 3.446 1.00 0.00 H new ATOM 0 HG13 VAL A 53 2.021 0.170 2.137 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -0.043 -1.671 0.800 1.00 0.00 H new ATOM 0 HG22 VAL A 53 1.643 -2.147 1.114 1.00 0.00 H new ATOM 0 HG23 VAL A 53 0.306 -3.144 1.736 1.00 0.00 H new ATOM 743 N GLN A 54 2.593 -0.779 5.694 1.00 0.00 N ATOM 744 CA GLN A 54 2.652 -0.159 7.005 1.00 0.00 C ATOM 745 C GLN A 54 2.739 1.347 6.891 1.00 0.00 C ATOM 746 O GLN A 54 3.711 1.889 6.360 1.00 0.00 O ATOM 747 CB GLN A 54 3.841 -0.709 7.793 1.00 0.00 C ATOM 748 CG GLN A 54 3.706 -2.189 8.079 1.00 0.00 C ATOM 749 CD GLN A 54 2.589 -2.480 9.057 1.00 0.00 C ATOM 750 OE1 GLN A 54 2.827 -2.652 10.251 1.00 0.00 O ATOM 751 NE2 GLN A 54 1.357 -2.448 8.575 1.00 0.00 N ATOM 0 H GLN A 54 3.495 -0.852 5.223 1.00 0.00 H new ATOM 0 HA GLN A 54 1.734 -0.400 7.540 1.00 0.00 H new ATOM 0 HB2 GLN A 54 4.759 -0.532 7.232 1.00 0.00 H new ATOM 0 HB3 GLN A 54 3.933 -0.166 8.734 1.00 0.00 H new ATOM 0 HG2 GLN A 54 3.519 -2.722 7.147 1.00 0.00 H new ATOM 0 HG3 GLN A 54 4.646 -2.568 8.480 1.00 0.00 H new ATOM 0 HE21 GLN A 54 1.203 -2.303 7.577 1.00 0.00 H new ATOM 0 HE22 GLN A 54 0.561 -2.569 9.201 1.00 0.00 H new ATOM 760 N ILE A 55 1.718 2.019 7.386 1.00 0.00 N ATOM 761 CA ILE A 55 1.682 3.462 7.340 1.00 0.00 C ATOM 762 C ILE A 55 2.332 4.034 8.596 1.00 0.00 C ATOM 763 O ILE A 55 1.697 4.119 9.646 1.00 0.00 O ATOM 764 CB ILE A 55 0.233 4.001 7.207 1.00 0.00 C ATOM 765 CG1 ILE A 55 -0.475 3.373 5.998 1.00 0.00 C ATOM 766 CG2 ILE A 55 0.229 5.518 7.087 1.00 0.00 C ATOM 767 CD1 ILE A 55 0.215 3.634 4.680 1.00 0.00 C ATOM 0 H ILE A 55 0.904 1.587 7.824 1.00 0.00 H new ATOM 0 HA ILE A 55 2.236 3.780 6.457 1.00 0.00 H new ATOM 0 HB ILE A 55 -0.311 3.723 8.110 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -0.548 2.296 6.151 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -1.494 3.758 5.946 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -0.797 5.873 6.995 1.00 0.00 H new ATOM 0 HG22 ILE A 55 0.686 5.954 7.975 1.00 0.00 H new ATOM 0 HG23 ILE A 55 0.796 5.815 6.205 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -0.346 3.158 3.875 1.00 0.00 H new ATOM 0 HD12 ILE A 55 0.265 4.708 4.502 1.00 0.00 H new ATOM 0 HD13 ILE A 55 1.225 3.224 4.710 1.00 0.00 H new ATOM 779 N SER A 56 3.603 4.398 8.492 1.00 0.00 N ATOM 780 CA SER A 56 4.335 4.943 9.628 1.00 0.00 C ATOM 781 C SER A 56 4.167 6.459 9.705 1.00 0.00 C ATOM 782 O SER A 56 4.766 7.199 8.914 1.00 0.00 O ATOM 783 CB SER A 56 5.817 4.583 9.519 1.00 0.00 C ATOM 784 OG SER A 56 5.995 3.176 9.502 1.00 0.00 O ATOM 0 H SER A 56 4.149 4.326 7.633 1.00 0.00 H new ATOM 0 HA SER A 56 3.928 4.506 10.540 1.00 0.00 H new ATOM 0 HB2 SER A 56 6.235 5.018 8.611 1.00 0.00 H new ATOM 0 HB3 SER A 56 6.363 5.013 10.359 1.00 0.00 H new ATOM 0 HG SER A 56 6.950 2.968 9.430 1.00 0.00 H new ATOM 790 N PRO A 57 3.349 6.940 10.664 1.00 0.00 N ATOM 791 CA PRO A 57 3.066 8.366 10.839 1.00 0.00 C ATOM 792 C PRO A 57 4.235 9.095 11.486 1.00 0.00 C ATOM 793 O PRO A 57 4.379 10.309 11.352 1.00 0.00 O ATOM 794 CB PRO A 57 1.838 8.391 11.764 1.00 0.00 C ATOM 795 CG PRO A 57 1.418 6.965 11.931 1.00 0.00 C ATOM 796 CD PRO A 57 2.638 6.134 11.663 1.00 0.00 C ATOM 0 HA PRO A 57 2.895 8.868 9.887 1.00 0.00 H new ATOM 0 HB2 PRO A 57 2.083 8.841 12.726 1.00 0.00 H new ATOM 0 HB3 PRO A 57 1.035 8.986 11.330 1.00 0.00 H new ATOM 0 HG2 PRO A 57 1.039 6.786 12.937 1.00 0.00 H new ATOM 0 HG3 PRO A 57 0.615 6.712 11.238 1.00 0.00 H new ATOM 0 HD2 PRO A 57 3.234 5.983 12.563 1.00 0.00 H new ATOM 0 HD3 PRO A 57 2.382 5.146 11.281 1.00 0.00 H new ATOM 804 N ASP A 58 5.065 8.335 12.177 1.00 0.00 N ATOM 805 CA ASP A 58 6.231 8.877 12.853 1.00 0.00 C ATOM 806 C ASP A 58 7.357 9.095 11.854 1.00 0.00 C ATOM 807 O ASP A 58 8.096 10.080 11.933 1.00 0.00 O ATOM 808 CB ASP A 58 6.688 7.918 13.958 1.00 0.00 C ATOM 809 CG ASP A 58 7.176 6.586 13.412 1.00 0.00 C ATOM 810 OD1 ASP A 58 6.407 5.911 12.692 1.00 0.00 O ATOM 811 OD2 ASP A 58 8.331 6.209 13.701 1.00 0.00 O ATOM 0 H ASP A 58 4.951 7.327 12.286 1.00 0.00 H new ATOM 0 HA ASP A 58 5.967 9.834 13.302 1.00 0.00 H new ATOM 0 HB2 ASP A 58 7.488 8.386 14.532 1.00 0.00 H new ATOM 0 HB3 ASP A 58 5.861 7.743 14.647 1.00 0.00 H new ATOM 816 N SER A 59 7.460 8.153 10.916 1.00 0.00 N ATOM 817 CA SER A 59 8.441 8.183 9.836 1.00 0.00 C ATOM 818 C SER A 59 9.857 7.911 10.354 1.00 0.00 C ATOM 819 O SER A 59 10.542 7.008 9.868 1.00 0.00 O ATOM 820 CB SER A 59 8.381 9.508 9.070 1.00 0.00 C ATOM 821 OG SER A 59 9.076 9.416 7.842 1.00 0.00 O ATOM 0 H SER A 59 6.852 7.334 10.887 1.00 0.00 H new ATOM 0 HA SER A 59 8.185 7.382 9.142 1.00 0.00 H new ATOM 0 HB2 SER A 59 7.341 9.778 8.884 1.00 0.00 H new ATOM 0 HB3 SER A 59 8.813 10.303 9.678 1.00 0.00 H new ATOM 0 HG SER A 59 8.443 9.514 7.100 1.00 0.00 H new ATOM 827 N GLY A 60 10.290 8.679 11.343 1.00 0.00 N ATOM 828 CA GLY A 60 11.587 8.460 11.947 1.00 0.00 C ATOM 829 C GLY A 60 12.706 9.143 11.189 1.00 0.00 C ATOM 830 O GLY A 60 13.254 10.142 11.650 1.00 0.00 O ATOM 0 H GLY A 60 9.761 9.456 11.740 1.00 0.00 H new ATOM 0 HA2 GLY A 60 11.572 8.827 12.973 1.00 0.00 H new ATOM 0 HA3 GLY A 60 11.786 7.389 11.994 1.00 0.00 H new ATOM 834 N GLY A 61 13.032 8.613 10.018 1.00 0.00 N ATOM 835 CA GLY A 61 14.150 9.134 9.250 1.00 0.00 C ATOM 836 C GLY A 61 13.737 10.190 8.249 1.00 0.00 C ATOM 837 O GLY A 61 14.587 10.845 7.646 1.00 0.00 O ATOM 0 H GLY A 61 12.543 7.830 9.584 1.00 0.00 H new ATOM 0 HA2 GLY A 61 14.887 9.557 9.933 1.00 0.00 H new ATOM 0 HA3 GLY A 61 14.637 8.313 8.724 1.00 0.00 H new ATOM 841 N LEU A 62 12.434 10.353 8.069 1.00 0.00 N ATOM 842 CA LEU A 62 11.903 11.313 7.108 1.00 0.00 C ATOM 843 C LEU A 62 11.005 12.314 7.833 1.00 0.00 C ATOM 844 O LEU A 62 10.465 12.009 8.897 1.00 0.00 O ATOM 845 CB LEU A 62 11.104 10.594 5.999 1.00 0.00 C ATOM 846 CG LEU A 62 11.875 9.573 5.146 1.00 0.00 C ATOM 847 CD1 LEU A 62 13.254 10.096 4.772 1.00 0.00 C ATOM 848 CD2 LEU A 62 11.974 8.231 5.859 1.00 0.00 C ATOM 0 H LEU A 62 11.721 9.831 8.578 1.00 0.00 H new ATOM 0 HA LEU A 62 12.736 11.839 6.641 1.00 0.00 H new ATOM 0 HB2 LEU A 62 10.261 10.082 6.464 1.00 0.00 H new ATOM 0 HB3 LEU A 62 10.690 11.351 5.333 1.00 0.00 H new ATOM 0 HG LEU A 62 11.316 9.423 4.222 1.00 0.00 H new ATOM 0 HD11 LEU A 62 13.774 9.352 4.169 1.00 0.00 H new ATOM 0 HD12 LEU A 62 13.151 11.018 4.200 1.00 0.00 H new ATOM 0 HD13 LEU A 62 13.826 10.293 5.678 1.00 0.00 H new ATOM 0 HD21 LEU A 62 12.524 7.527 5.234 1.00 0.00 H new ATOM 0 HD22 LEU A 62 12.497 8.360 6.807 1.00 0.00 H new ATOM 0 HD23 LEU A 62 10.972 7.844 6.047 1.00 0.00 H new ATOM 860 N PRO A 63 10.849 13.531 7.281 1.00 0.00 N ATOM 861 CA PRO A 63 10.002 14.577 7.873 1.00 0.00 C ATOM 862 C PRO A 63 8.545 14.439 7.449 1.00 0.00 C ATOM 863 O PRO A 63 7.673 15.187 7.895 1.00 0.00 O ATOM 864 CB PRO A 63 10.593 15.838 7.257 1.00 0.00 C ATOM 865 CG PRO A 63 10.936 15.402 5.879 1.00 0.00 C ATOM 866 CD PRO A 63 11.494 14.008 6.035 1.00 0.00 C ATOM 0 HA PRO A 63 9.994 14.551 8.963 1.00 0.00 H new ATOM 0 HB2 PRO A 63 9.878 16.660 7.255 1.00 0.00 H new ATOM 0 HB3 PRO A 63 11.472 16.181 7.803 1.00 0.00 H new ATOM 0 HG2 PRO A 63 10.057 15.405 5.234 1.00 0.00 H new ATOM 0 HG3 PRO A 63 11.667 16.071 5.424 1.00 0.00 H new ATOM 0 HD2 PRO A 63 11.245 13.375 5.183 1.00 0.00 H new ATOM 0 HD3 PRO A 63 12.581 14.015 6.120 1.00 0.00 H new ATOM 874 N GLU A 64 8.311 13.483 6.572 1.00 0.00 N ATOM 875 CA GLU A 64 7.015 13.275 5.960 1.00 0.00 C ATOM 876 C GLU A 64 6.405 11.972 6.470 1.00 0.00 C ATOM 877 O GLU A 64 6.520 11.651 7.654 1.00 0.00 O ATOM 878 CB GLU A 64 7.194 13.253 4.437 1.00 0.00 C ATOM 879 CG GLU A 64 8.278 12.287 3.973 1.00 0.00 C ATOM 880 CD GLU A 64 8.839 12.630 2.606 1.00 0.00 C ATOM 881 OE1 GLU A 64 8.092 12.563 1.610 1.00 0.00 O ATOM 882 OE2 GLU A 64 10.047 12.951 2.522 1.00 0.00 O ATOM 0 H GLU A 64 9.023 12.822 6.261 1.00 0.00 H new ATOM 0 HA GLU A 64 6.332 14.083 6.224 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.248 12.978 3.971 1.00 0.00 H new ATOM 0 HB3 GLU A 64 7.440 14.257 4.092 1.00 0.00 H new ATOM 0 HG2 GLU A 64 9.089 12.284 4.701 1.00 0.00 H new ATOM 0 HG3 GLU A 64 7.869 11.277 3.948 1.00 0.00 H new ATOM 889 N ARG A 65 5.749 11.234 5.597 1.00 0.00 N ATOM 890 CA ARG A 65 5.217 9.938 5.963 1.00 0.00 C ATOM 891 C ARG A 65 6.053 8.851 5.309 1.00 0.00 C ATOM 892 O ARG A 65 6.475 8.992 4.162 1.00 0.00 O ATOM 893 CB ARG A 65 3.762 9.810 5.515 1.00 0.00 C ATOM 894 CG ARG A 65 3.032 8.657 6.171 1.00 0.00 C ATOM 895 CD ARG A 65 2.726 8.967 7.625 1.00 0.00 C ATOM 896 NE ARG A 65 1.703 10.002 7.778 1.00 0.00 N ATOM 897 CZ ARG A 65 1.957 11.269 8.117 1.00 0.00 C ATOM 898 NH1 ARG A 65 3.205 11.671 8.346 1.00 0.00 N ATOM 899 NH2 ARG A 65 0.952 12.129 8.238 1.00 0.00 N ATOM 0 H ARG A 65 5.572 11.509 4.631 1.00 0.00 H new ATOM 0 HA ARG A 65 5.256 9.832 7.047 1.00 0.00 H new ATOM 0 HB2 ARG A 65 3.237 10.738 5.740 1.00 0.00 H new ATOM 0 HB3 ARG A 65 3.732 9.681 4.433 1.00 0.00 H new ATOM 0 HG2 ARG A 65 2.104 8.456 5.635 1.00 0.00 H new ATOM 0 HG3 ARG A 65 3.639 7.754 6.107 1.00 0.00 H new ATOM 0 HD2 ARG A 65 2.394 8.057 8.124 1.00 0.00 H new ATOM 0 HD3 ARG A 65 3.640 9.289 8.124 1.00 0.00 H new ATOM 0 HE ARG A 65 0.731 9.739 7.615 1.00 0.00 H new ATOM 0 HH11 ARG A 65 3.977 11.010 8.263 1.00 0.00 H new ATOM 0 HH12 ARG A 65 3.389 12.640 8.604 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -0.006 11.820 8.072 1.00 0.00 H new ATOM 0 HH22 ARG A 65 1.138 13.098 8.497 1.00 0.00 H new ATOM 913 N SER A 66 6.309 7.777 6.033 1.00 0.00 N ATOM 914 CA SER A 66 7.053 6.668 5.469 1.00 0.00 C ATOM 915 C SER A 66 6.179 5.423 5.430 1.00 0.00 C ATOM 916 O SER A 66 5.790 4.879 6.467 1.00 0.00 O ATOM 917 CB SER A 66 8.341 6.428 6.261 1.00 0.00 C ATOM 918 OG SER A 66 8.067 6.187 7.629 1.00 0.00 O ATOM 0 H SER A 66 6.016 7.650 7.002 1.00 0.00 H new ATOM 0 HA SER A 66 7.339 6.912 4.446 1.00 0.00 H new ATOM 0 HB2 SER A 66 8.876 5.577 5.840 1.00 0.00 H new ATOM 0 HB3 SER A 66 8.995 7.295 6.166 1.00 0.00 H new ATOM 0 HG SER A 66 8.875 5.850 8.070 1.00 0.00 H new ATOM 924 N VAL A 67 5.831 5.008 4.228 1.00 0.00 N ATOM 925 CA VAL A 67 4.987 3.847 4.038 1.00 0.00 C ATOM 926 C VAL A 67 5.837 2.652 3.659 1.00 0.00 C ATOM 927 O VAL A 67 6.530 2.679 2.647 1.00 0.00 O ATOM 928 CB VAL A 67 3.934 4.096 2.939 1.00 0.00 C ATOM 929 CG1 VAL A 67 3.094 2.854 2.702 1.00 0.00 C ATOM 930 CG2 VAL A 67 3.051 5.277 3.306 1.00 0.00 C ATOM 0 H VAL A 67 6.123 5.462 3.363 1.00 0.00 H new ATOM 0 HA VAL A 67 4.467 3.650 4.976 1.00 0.00 H new ATOM 0 HB VAL A 67 4.458 4.331 2.013 1.00 0.00 H new ATOM 0 HG11 VAL A 67 2.359 3.055 1.923 1.00 0.00 H new ATOM 0 HG12 VAL A 67 3.739 2.033 2.389 1.00 0.00 H new ATOM 0 HG13 VAL A 67 2.580 2.581 3.624 1.00 0.00 H new ATOM 0 HG21 VAL A 67 2.314 5.438 2.519 1.00 0.00 H new ATOM 0 HG22 VAL A 67 2.539 5.070 4.246 1.00 0.00 H new ATOM 0 HG23 VAL A 67 3.666 6.170 3.416 1.00 0.00 H new ATOM 940 N SER A 68 5.799 1.613 4.474 1.00 0.00 N ATOM 941 CA SER A 68 6.579 0.431 4.190 1.00 0.00 C ATOM 942 C SER A 68 5.799 -0.534 3.321 1.00 0.00 C ATOM 943 O SER A 68 4.655 -0.884 3.619 1.00 0.00 O ATOM 944 CB SER A 68 6.993 -0.282 5.463 1.00 0.00 C ATOM 945 OG SER A 68 7.702 0.581 6.342 1.00 0.00 O ATOM 0 H SER A 68 5.242 1.567 5.327 1.00 0.00 H new ATOM 0 HA SER A 68 7.473 0.761 3.661 1.00 0.00 H new ATOM 0 HB2 SER A 68 6.108 -0.668 5.968 1.00 0.00 H new ATOM 0 HB3 SER A 68 7.617 -1.140 5.213 1.00 0.00 H new ATOM 0 HG SER A 68 7.807 1.460 5.922 1.00 0.00 H new ATOM 951 N LEU A 69 6.425 -0.944 2.243 1.00 0.00 N ATOM 952 CA LEU A 69 5.842 -1.894 1.330 1.00 0.00 C ATOM 953 C LEU A 69 6.524 -3.254 1.454 1.00 0.00 C ATOM 954 O LEU A 69 7.680 -3.410 1.059 1.00 0.00 O ATOM 955 CB LEU A 69 6.001 -1.380 -0.092 1.00 0.00 C ATOM 956 CG LEU A 69 5.078 -0.225 -0.519 1.00 0.00 C ATOM 957 CD1 LEU A 69 3.618 -0.624 -0.390 1.00 0.00 C ATOM 958 CD2 LEU A 69 5.351 1.044 0.270 1.00 0.00 C ATOM 0 H LEU A 69 7.356 -0.626 1.975 1.00 0.00 H new ATOM 0 HA LEU A 69 4.786 -2.012 1.573 1.00 0.00 H new ATOM 0 HB2 LEU A 69 7.033 -1.056 -0.223 1.00 0.00 H new ATOM 0 HB3 LEU A 69 5.840 -2.214 -0.775 1.00 0.00 H new ATOM 0 HG LEU A 69 5.294 -0.014 -1.566 1.00 0.00 H new ATOM 0 HD11 LEU A 69 2.985 0.208 -0.697 1.00 0.00 H new ATOM 0 HD12 LEU A 69 3.419 -1.486 -1.027 1.00 0.00 H new ATOM 0 HD13 LEU A 69 3.401 -0.881 0.647 1.00 0.00 H new ATOM 0 HD21 LEU A 69 4.677 1.833 -0.065 1.00 0.00 H new ATOM 0 HD22 LEU A 69 5.189 0.854 1.331 1.00 0.00 H new ATOM 0 HD23 LEU A 69 6.383 1.357 0.110 1.00 0.00 H new ATOM 970 N THR A 70 5.829 -4.229 2.031 1.00 0.00 N ATOM 971 CA THR A 70 6.365 -5.583 2.131 1.00 0.00 C ATOM 972 C THR A 70 5.239 -6.619 2.145 1.00 0.00 C ATOM 973 O THR A 70 4.401 -6.607 3.038 1.00 0.00 O ATOM 974 CB THR A 70 7.213 -5.753 3.405 1.00 0.00 C ATOM 975 OG1 THR A 70 7.855 -4.519 3.746 1.00 0.00 O ATOM 976 CG2 THR A 70 8.263 -6.817 3.184 1.00 0.00 C ATOM 0 H THR A 70 4.900 -4.109 2.434 1.00 0.00 H new ATOM 0 HA THR A 70 6.995 -5.743 1.256 1.00 0.00 H new ATOM 0 HB THR A 70 6.555 -6.050 4.222 1.00 0.00 H new ATOM 0 HG1 THR A 70 8.389 -4.642 4.558 1.00 0.00 H new ATOM 0 HG21 THR A 70 8.860 -6.933 4.089 1.00 0.00 H new ATOM 0 HG22 THR A 70 7.777 -7.763 2.946 1.00 0.00 H new ATOM 0 HG23 THR A 70 8.910 -6.523 2.358 1.00 0.00 H new ATOM 984 N GLY A 71 5.220 -7.517 1.170 1.00 0.00 N ATOM 985 CA GLY A 71 4.173 -8.524 1.118 1.00 0.00 C ATOM 986 C GLY A 71 4.564 -9.734 0.291 1.00 0.00 C ATOM 987 O GLY A 71 5.380 -10.546 0.709 1.00 0.00 O ATOM 0 H GLY A 71 5.906 -7.569 0.417 1.00 0.00 H new ATOM 0 HA2 GLY A 71 3.932 -8.844 2.132 1.00 0.00 H new ATOM 0 HA3 GLY A 71 3.269 -8.081 0.701 1.00 0.00 H new ATOM 991 N ALA A 72 3.972 -9.852 -0.882 1.00 0.00 N ATOM 992 CA ALA A 72 4.291 -10.929 -1.811 1.00 0.00 C ATOM 993 C ALA A 72 4.577 -10.322 -3.178 1.00 0.00 C ATOM 994 O ALA A 72 4.237 -9.166 -3.396 1.00 0.00 O ATOM 995 CB ALA A 72 3.139 -11.925 -1.878 1.00 0.00 C ATOM 0 H ALA A 72 3.258 -9.208 -1.221 1.00 0.00 H new ATOM 0 HA ALA A 72 5.173 -11.472 -1.470 1.00 0.00 H new ATOM 0 HB1 ALA A 72 3.389 -12.725 -2.575 1.00 0.00 H new ATOM 0 HB2 ALA A 72 2.965 -12.348 -0.888 1.00 0.00 H new ATOM 0 HB3 ALA A 72 2.237 -11.416 -2.218 1.00 0.00 H new ATOM 1001 N PRO A 73 5.210 -11.062 -4.108 1.00 0.00 N ATOM 1002 CA PRO A 73 5.552 -10.535 -5.437 1.00 0.00 C ATOM 1003 C PRO A 73 4.398 -9.770 -6.088 1.00 0.00 C ATOM 1004 O PRO A 73 4.564 -8.627 -6.516 1.00 0.00 O ATOM 1005 CB PRO A 73 5.889 -11.792 -6.233 1.00 0.00 C ATOM 1006 CG PRO A 73 6.420 -12.737 -5.215 1.00 0.00 C ATOM 1007 CD PRO A 73 5.651 -12.461 -3.947 1.00 0.00 C ATOM 0 HA PRO A 73 6.365 -9.811 -5.391 1.00 0.00 H new ATOM 0 HB2 PRO A 73 5.008 -12.197 -6.731 1.00 0.00 H new ATOM 0 HB3 PRO A 73 6.627 -11.586 -7.009 1.00 0.00 H new ATOM 0 HG2 PRO A 73 6.286 -13.770 -5.535 1.00 0.00 H new ATOM 0 HG3 PRO A 73 7.489 -12.586 -5.063 1.00 0.00 H new ATOM 0 HD2 PRO A 73 4.804 -13.138 -3.836 1.00 0.00 H new ATOM 0 HD3 PRO A 73 6.277 -12.585 -3.063 1.00 0.00 H new ATOM 1015 N GLU A 74 3.227 -10.391 -6.132 1.00 0.00 N ATOM 1016 CA GLU A 74 2.046 -9.754 -6.694 1.00 0.00 C ATOM 1017 C GLU A 74 1.524 -8.666 -5.760 1.00 0.00 C ATOM 1018 O GLU A 74 1.248 -7.540 -6.178 1.00 0.00 O ATOM 1019 CB GLU A 74 0.957 -10.803 -6.923 1.00 0.00 C ATOM 1020 CG GLU A 74 -0.322 -10.246 -7.521 1.00 0.00 C ATOM 1021 CD GLU A 74 -0.138 -9.763 -8.940 1.00 0.00 C ATOM 1022 OE1 GLU A 74 -0.154 -10.605 -9.860 1.00 0.00 O ATOM 1023 OE2 GLU A 74 0.006 -8.541 -9.148 1.00 0.00 O ATOM 0 H GLU A 74 3.071 -11.337 -5.784 1.00 0.00 H new ATOM 0 HA GLU A 74 2.317 -9.294 -7.644 1.00 0.00 H new ATOM 0 HB2 GLU A 74 1.347 -11.578 -7.583 1.00 0.00 H new ATOM 0 HB3 GLU A 74 0.723 -11.282 -5.972 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -1.093 -11.016 -7.500 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -0.678 -9.421 -6.904 1.00 0.00 H new ATOM 1030 N SER A 75 1.427 -9.010 -4.487 1.00 0.00 N ATOM 1031 CA SER A 75 0.819 -8.145 -3.491 1.00 0.00 C ATOM 1032 C SER A 75 1.582 -6.835 -3.337 1.00 0.00 C ATOM 1033 O SER A 75 0.987 -5.757 -3.306 1.00 0.00 O ATOM 1034 CB SER A 75 0.778 -8.880 -2.158 1.00 0.00 C ATOM 1035 OG SER A 75 0.285 -10.196 -2.326 1.00 0.00 O ATOM 0 H SER A 75 1.768 -9.897 -4.115 1.00 0.00 H new ATOM 0 HA SER A 75 -0.190 -7.898 -3.820 1.00 0.00 H new ATOM 0 HB2 SER A 75 1.778 -8.914 -1.725 1.00 0.00 H new ATOM 0 HB3 SER A 75 0.145 -8.336 -1.457 1.00 0.00 H new ATOM 0 HG SER A 75 -0.694 -10.177 -2.355 1.00 0.00 H new ATOM 1041 N VAL A 76 2.899 -6.935 -3.259 1.00 0.00 N ATOM 1042 CA VAL A 76 3.737 -5.783 -2.983 1.00 0.00 C ATOM 1043 C VAL A 76 3.772 -4.840 -4.186 1.00 0.00 C ATOM 1044 O VAL A 76 3.927 -3.635 -4.031 1.00 0.00 O ATOM 1045 CB VAL A 76 5.170 -6.217 -2.573 1.00 0.00 C ATOM 1046 CG1 VAL A 76 6.046 -6.510 -3.784 1.00 0.00 C ATOM 1047 CG2 VAL A 76 5.812 -5.181 -1.666 1.00 0.00 C ATOM 0 H VAL A 76 3.412 -7.808 -3.384 1.00 0.00 H new ATOM 0 HA VAL A 76 3.302 -5.244 -2.141 1.00 0.00 H new ATOM 0 HB VAL A 76 5.080 -7.148 -2.013 1.00 0.00 H new ATOM 0 HG11 VAL A 76 7.039 -6.810 -3.450 1.00 0.00 H new ATOM 0 HG12 VAL A 76 5.601 -7.315 -4.369 1.00 0.00 H new ATOM 0 HG13 VAL A 76 6.125 -5.615 -4.401 1.00 0.00 H new ATOM 0 HG21 VAL A 76 6.815 -5.508 -1.393 1.00 0.00 H new ATOM 0 HG22 VAL A 76 5.872 -4.227 -2.189 1.00 0.00 H new ATOM 0 HG23 VAL A 76 5.210 -5.064 -0.765 1.00 0.00 H new ATOM 1057 N GLN A 77 3.587 -5.389 -5.383 1.00 0.00 N ATOM 1058 CA GLN A 77 3.591 -4.578 -6.592 1.00 0.00 C ATOM 1059 C GLN A 77 2.276 -3.822 -6.728 1.00 0.00 C ATOM 1060 O GLN A 77 2.259 -2.652 -7.108 1.00 0.00 O ATOM 1061 CB GLN A 77 3.843 -5.436 -7.833 1.00 0.00 C ATOM 1062 CG GLN A 77 5.122 -5.064 -8.569 1.00 0.00 C ATOM 1063 CD GLN A 77 6.377 -5.445 -7.808 1.00 0.00 C ATOM 1064 OE1 GLN A 77 7.390 -4.749 -7.867 1.00 0.00 O ATOM 1065 NE2 GLN A 77 6.335 -6.571 -7.117 1.00 0.00 N ATOM 0 H GLN A 77 3.434 -6.385 -5.539 1.00 0.00 H new ATOM 0 HA GLN A 77 4.405 -3.857 -6.511 1.00 0.00 H new ATOM 0 HB2 GLN A 77 3.893 -6.484 -7.538 1.00 0.00 H new ATOM 0 HB3 GLN A 77 2.998 -5.336 -8.514 1.00 0.00 H new ATOM 0 HG2 GLN A 77 5.131 -5.556 -9.542 1.00 0.00 H new ATOM 0 HG3 GLN A 77 5.128 -3.990 -8.754 1.00 0.00 H new ATOM 0 HE21 GLN A 77 5.477 -7.122 -7.091 1.00 0.00 H new ATOM 0 HE22 GLN A 77 7.161 -6.889 -6.609 1.00 0.00 H new ATOM 1074 N LYS A 78 1.178 -4.493 -6.400 1.00 0.00 N ATOM 1075 CA LYS A 78 -0.141 -3.872 -6.425 1.00 0.00 C ATOM 1076 C LYS A 78 -0.206 -2.751 -5.387 1.00 0.00 C ATOM 1077 O LYS A 78 -0.660 -1.634 -5.665 1.00 0.00 O ATOM 1078 CB LYS A 78 -1.215 -4.924 -6.128 1.00 0.00 C ATOM 1079 CG LYS A 78 -2.631 -4.488 -6.474 1.00 0.00 C ATOM 1080 CD LYS A 78 -3.059 -4.985 -7.850 1.00 0.00 C ATOM 1081 CE LYS A 78 -2.241 -4.363 -8.969 1.00 0.00 C ATOM 1082 NZ LYS A 78 -2.598 -4.924 -10.300 1.00 0.00 N ATOM 0 H LYS A 78 1.176 -5.472 -6.112 1.00 0.00 H new ATOM 0 HA LYS A 78 -0.320 -3.450 -7.414 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -0.981 -5.832 -6.684 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -1.174 -5.179 -5.069 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -3.322 -4.866 -5.720 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -2.693 -3.400 -6.446 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -2.958 -6.070 -7.889 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -4.114 -4.757 -8.004 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -2.398 -3.284 -8.976 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -1.181 -4.529 -8.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -2.017 -4.472 -11.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -2.424 -5.949 -10.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -3.603 -4.743 -10.495 1.00 0.00 H new ATOM 1096 N ALA A 79 0.270 -3.058 -4.187 1.00 0.00 N ATOM 1097 CA ALA A 79 0.351 -2.076 -3.121 1.00 0.00 C ATOM 1098 C ALA A 79 1.147 -0.857 -3.583 1.00 0.00 C ATOM 1099 O ALA A 79 0.721 0.285 -3.405 1.00 0.00 O ATOM 1100 CB ALA A 79 1.001 -2.693 -1.893 1.00 0.00 C ATOM 0 H ALA A 79 0.607 -3.986 -3.930 1.00 0.00 H new ATOM 0 HA ALA A 79 -0.658 -1.755 -2.862 1.00 0.00 H new ATOM 0 HB1 ALA A 79 1.057 -1.949 -1.099 1.00 0.00 H new ATOM 0 HB2 ALA A 79 0.406 -3.541 -1.554 1.00 0.00 H new ATOM 0 HB3 ALA A 79 2.006 -3.032 -2.145 1.00 0.00 H new ATOM 1106 N LYS A 80 2.290 -1.114 -4.210 1.00 0.00 N ATOM 1107 CA LYS A 80 3.177 -0.051 -4.653 1.00 0.00 C ATOM 1108 C LYS A 80 2.643 0.691 -5.869 1.00 0.00 C ATOM 1109 O LYS A 80 3.053 1.816 -6.119 1.00 0.00 O ATOM 1110 CB LYS A 80 4.570 -0.588 -4.962 1.00 0.00 C ATOM 1111 CG LYS A 80 5.322 -1.061 -3.735 1.00 0.00 C ATOM 1112 CD LYS A 80 6.783 -1.314 -4.047 1.00 0.00 C ATOM 1113 CE LYS A 80 6.970 -2.413 -5.080 1.00 0.00 C ATOM 1114 NZ LYS A 80 8.309 -2.337 -5.723 1.00 0.00 N ATOM 0 H LYS A 80 2.623 -2.055 -4.422 1.00 0.00 H new ATOM 0 HA LYS A 80 3.233 0.656 -3.825 1.00 0.00 H new ATOM 0 HB2 LYS A 80 4.484 -1.415 -5.667 1.00 0.00 H new ATOM 0 HB3 LYS A 80 5.150 0.192 -5.455 1.00 0.00 H new ATOM 0 HG2 LYS A 80 5.241 -0.314 -2.946 1.00 0.00 H new ATOM 0 HG3 LYS A 80 4.865 -1.975 -3.356 1.00 0.00 H new ATOM 0 HD2 LYS A 80 7.239 -0.394 -4.412 1.00 0.00 H new ATOM 0 HD3 LYS A 80 7.306 -1.587 -3.130 1.00 0.00 H new ATOM 0 HE2 LYS A 80 6.849 -3.386 -4.603 1.00 0.00 H new ATOM 0 HE3 LYS A 80 6.195 -2.333 -5.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 8.630 -3.295 -5.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 8.248 -1.758 -6.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 8.987 -1.905 -5.063 1.00 0.00 H new ATOM 1128 N MET A 81 1.761 0.080 -6.647 1.00 0.00 N ATOM 1129 CA MET A 81 1.218 0.776 -7.809 1.00 0.00 C ATOM 1130 C MET A 81 0.285 1.890 -7.344 1.00 0.00 C ATOM 1131 O MET A 81 0.184 2.938 -7.986 1.00 0.00 O ATOM 1132 CB MET A 81 0.535 -0.193 -8.799 1.00 0.00 C ATOM 1133 CG MET A 81 -0.840 -0.708 -8.395 1.00 0.00 C ATOM 1134 SD MET A 81 -2.171 0.457 -8.737 1.00 0.00 S ATOM 1135 CE MET A 81 -3.594 -0.524 -8.267 1.00 0.00 C ATOM 0 H MET A 81 1.413 -0.868 -6.504 1.00 0.00 H new ATOM 0 HA MET A 81 2.040 1.227 -8.364 1.00 0.00 H new ATOM 0 HB2 MET A 81 0.443 0.309 -9.762 1.00 0.00 H new ATOM 0 HB3 MET A 81 1.192 -1.050 -8.948 1.00 0.00 H new ATOM 0 HG2 MET A 81 -1.040 -1.641 -8.922 1.00 0.00 H new ATOM 0 HG3 MET A 81 -0.834 -0.939 -7.330 1.00 0.00 H new ATOM 0 HE1 MET A 81 -4.499 0.075 -8.370 1.00 0.00 H new ATOM 0 HE2 MET A 81 -3.663 -1.399 -8.914 1.00 0.00 H new ATOM 0 HE3 MET A 81 -3.488 -0.846 -7.231 1.00 0.00 H new ATOM 1145 N MET A 82 -0.368 1.671 -6.201 1.00 0.00 N ATOM 1146 CA MET A 82 -1.156 2.727 -5.563 1.00 0.00 C ATOM 1147 C MET A 82 -0.247 3.822 -5.018 1.00 0.00 C ATOM 1148 O MET A 82 -0.493 5.009 -5.220 1.00 0.00 O ATOM 1149 CB MET A 82 -2.014 2.171 -4.426 1.00 0.00 C ATOM 1150 CG MET A 82 -3.305 1.520 -4.883 1.00 0.00 C ATOM 1151 SD MET A 82 -4.366 2.660 -5.793 1.00 0.00 S ATOM 1152 CE MET A 82 -5.774 1.612 -6.141 1.00 0.00 C ATOM 0 H MET A 82 -0.367 0.781 -5.702 1.00 0.00 H new ATOM 0 HA MET A 82 -1.813 3.147 -6.325 1.00 0.00 H new ATOM 0 HB2 MET A 82 -1.429 1.440 -3.868 1.00 0.00 H new ATOM 0 HB3 MET A 82 -2.253 2.981 -3.736 1.00 0.00 H new ATOM 0 HG2 MET A 82 -3.073 0.662 -5.514 1.00 0.00 H new ATOM 0 HG3 MET A 82 -3.844 1.140 -4.015 1.00 0.00 H new ATOM 0 HE1 MET A 82 -6.301 1.990 -7.017 1.00 0.00 H new ATOM 0 HE2 MET A 82 -5.432 0.595 -6.334 1.00 0.00 H new ATOM 0 HE3 MET A 82 -6.448 1.612 -5.284 1.00 0.00 H new ATOM 1162 N LEU A 83 0.805 3.408 -4.323 1.00 0.00 N ATOM 1163 CA LEU A 83 1.755 4.342 -3.722 1.00 0.00 C ATOM 1164 C LEU A 83 2.432 5.188 -4.785 1.00 0.00 C ATOM 1165 O LEU A 83 2.497 6.411 -4.669 1.00 0.00 O ATOM 1166 CB LEU A 83 2.814 3.588 -2.908 1.00 0.00 C ATOM 1167 CG LEU A 83 2.483 3.337 -1.431 1.00 0.00 C ATOM 1168 CD1 LEU A 83 2.374 4.653 -0.678 1.00 0.00 C ATOM 1169 CD2 LEU A 83 1.197 2.536 -1.283 1.00 0.00 C ATOM 0 H LEU A 83 1.025 2.425 -4.160 1.00 0.00 H new ATOM 0 HA LEU A 83 1.197 5.000 -3.056 1.00 0.00 H new ATOM 0 HB2 LEU A 83 2.993 2.625 -3.387 1.00 0.00 H new ATOM 0 HB3 LEU A 83 3.748 4.148 -2.959 1.00 0.00 H new ATOM 0 HG LEU A 83 3.297 2.753 -1.001 1.00 0.00 H new ATOM 0 HD11 LEU A 83 2.139 4.455 0.368 1.00 0.00 H new ATOM 0 HD12 LEU A 83 3.321 5.188 -0.742 1.00 0.00 H new ATOM 0 HD13 LEU A 83 1.584 5.260 -1.119 1.00 0.00 H new ATOM 0 HD21 LEU A 83 0.989 2.374 -0.225 1.00 0.00 H new ATOM 0 HD22 LEU A 83 0.372 3.086 -1.735 1.00 0.00 H new ATOM 0 HD23 LEU A 83 1.308 1.574 -1.782 1.00 0.00 H new ATOM 1181 N ASP A 84 2.921 4.522 -5.819 1.00 0.00 N ATOM 1182 CA ASP A 84 3.569 5.188 -6.939 1.00 0.00 C ATOM 1183 C ASP A 84 2.650 6.241 -7.527 1.00 0.00 C ATOM 1184 O ASP A 84 3.086 7.337 -7.857 1.00 0.00 O ATOM 1185 CB ASP A 84 3.946 4.160 -8.010 1.00 0.00 C ATOM 1186 CG ASP A 84 4.593 4.783 -9.231 1.00 0.00 C ATOM 1187 OD1 ASP A 84 5.775 5.176 -9.148 1.00 0.00 O ATOM 1188 OD2 ASP A 84 3.932 4.846 -10.287 1.00 0.00 O ATOM 0 H ASP A 84 2.880 3.507 -5.906 1.00 0.00 H new ATOM 0 HA ASP A 84 4.475 5.677 -6.582 1.00 0.00 H new ATOM 0 HB2 ASP A 84 4.629 3.428 -7.578 1.00 0.00 H new ATOM 0 HB3 ASP A 84 3.051 3.619 -8.317 1.00 0.00 H new ATOM 1193 N ASP A 85 1.372 5.904 -7.621 1.00 0.00 N ATOM 1194 CA ASP A 85 0.373 6.810 -8.170 1.00 0.00 C ATOM 1195 C ASP A 85 0.301 8.124 -7.388 1.00 0.00 C ATOM 1196 O ASP A 85 0.492 9.207 -7.950 1.00 0.00 O ATOM 1197 CB ASP A 85 -0.996 6.133 -8.175 1.00 0.00 C ATOM 1198 CG ASP A 85 -2.086 7.031 -8.730 1.00 0.00 C ATOM 1199 OD1 ASP A 85 -2.650 7.841 -7.964 1.00 0.00 O ATOM 1200 OD2 ASP A 85 -2.377 6.937 -9.941 1.00 0.00 O ATOM 0 H ASP A 85 1.000 5.003 -7.322 1.00 0.00 H new ATOM 0 HA ASP A 85 0.670 7.049 -9.191 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -0.944 5.220 -8.769 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -1.256 5.838 -7.158 1.00 0.00 H new ATOM 1205 N ILE A 86 0.038 8.024 -6.093 1.00 0.00 N ATOM 1206 CA ILE A 86 -0.161 9.208 -5.262 1.00 0.00 C ATOM 1207 C ILE A 86 1.148 9.953 -5.016 1.00 0.00 C ATOM 1208 O ILE A 86 1.189 11.184 -5.076 1.00 0.00 O ATOM 1209 CB ILE A 86 -0.846 8.862 -3.915 1.00 0.00 C ATOM 1210 CG1 ILE A 86 -2.345 8.629 -4.126 1.00 0.00 C ATOM 1211 CG2 ILE A 86 -0.631 9.958 -2.883 1.00 0.00 C ATOM 1212 CD1 ILE A 86 -2.673 7.329 -4.823 1.00 0.00 C ATOM 0 H ILE A 86 -0.043 7.138 -5.594 1.00 0.00 H new ATOM 0 HA ILE A 86 -0.828 9.867 -5.818 1.00 0.00 H new ATOM 0 HB ILE A 86 -0.389 7.948 -3.536 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -2.845 8.646 -3.157 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -2.752 9.455 -4.709 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -1.125 9.682 -1.951 1.00 0.00 H new ATOM 0 HG22 ILE A 86 0.437 10.085 -2.704 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -1.051 10.893 -3.253 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -3.753 7.239 -4.935 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -2.204 7.315 -5.807 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -2.298 6.494 -4.231 1.00 0.00 H new ATOM 1224 N VAL A 87 2.220 9.222 -4.762 1.00 0.00 N ATOM 1225 CA VAL A 87 3.507 9.854 -4.522 1.00 0.00 C ATOM 1226 C VAL A 87 3.982 10.583 -5.776 1.00 0.00 C ATOM 1227 O VAL A 87 4.623 11.628 -5.689 1.00 0.00 O ATOM 1228 CB VAL A 87 4.570 8.836 -4.059 1.00 0.00 C ATOM 1229 CG1 VAL A 87 5.939 9.494 -3.932 1.00 0.00 C ATOM 1230 CG2 VAL A 87 4.168 8.220 -2.730 1.00 0.00 C ATOM 0 H VAL A 87 2.227 8.203 -4.717 1.00 0.00 H new ATOM 0 HA VAL A 87 3.372 10.577 -3.717 1.00 0.00 H new ATOM 0 HB VAL A 87 4.633 8.051 -4.812 1.00 0.00 H new ATOM 0 HG11 VAL A 87 6.669 8.754 -3.604 1.00 0.00 H new ATOM 0 HG12 VAL A 87 6.240 9.897 -4.899 1.00 0.00 H new ATOM 0 HG13 VAL A 87 5.888 10.302 -3.202 1.00 0.00 H new ATOM 0 HG21 VAL A 87 4.928 7.504 -2.416 1.00 0.00 H new ATOM 0 HG22 VAL A 87 4.076 9.004 -1.978 1.00 0.00 H new ATOM 0 HG23 VAL A 87 3.211 7.709 -2.840 1.00 0.00 H new ATOM 1240 N SER A 88 3.635 10.055 -6.940 1.00 0.00 N ATOM 1241 CA SER A 88 4.002 10.696 -8.193 1.00 0.00 C ATOM 1242 C SER A 88 3.156 11.949 -8.420 1.00 0.00 C ATOM 1243 O SER A 88 3.660 12.964 -8.891 1.00 0.00 O ATOM 1244 CB SER A 88 3.832 9.723 -9.364 1.00 0.00 C ATOM 1245 OG SER A 88 4.387 10.242 -10.560 1.00 0.00 O ATOM 0 H SER A 88 3.104 9.191 -7.043 1.00 0.00 H new ATOM 0 HA SER A 88 5.050 10.989 -8.134 1.00 0.00 H new ATOM 0 HB2 SER A 88 4.311 8.774 -9.122 1.00 0.00 H new ATOM 0 HB3 SER A 88 2.773 9.516 -9.514 1.00 0.00 H new ATOM 0 HG SER A 88 4.263 9.595 -11.286 1.00 0.00 H new ATOM 1251 N ARG A 89 1.879 11.894 -8.050 1.00 0.00 N ATOM 1252 CA ARG A 89 0.991 13.031 -8.261 1.00 0.00 C ATOM 1253 C ARG A 89 1.218 14.105 -7.199 1.00 0.00 C ATOM 1254 O ARG A 89 0.663 15.202 -7.279 1.00 0.00 O ATOM 1255 CB ARG A 89 -0.481 12.595 -8.292 1.00 0.00 C ATOM 1256 CG ARG A 89 -1.046 12.112 -6.962 1.00 0.00 C ATOM 1257 CD ARG A 89 -2.526 11.782 -7.080 1.00 0.00 C ATOM 1258 NE ARG A 89 -2.774 10.648 -7.975 1.00 0.00 N ATOM 1259 CZ ARG A 89 -3.585 10.696 -9.033 1.00 0.00 C ATOM 1260 NH1 ARG A 89 -4.177 11.833 -9.372 1.00 0.00 N ATOM 1261 NH2 ARG A 89 -3.788 9.601 -9.759 1.00 0.00 N ATOM 0 H ARG A 89 1.441 11.085 -7.608 1.00 0.00 H new ATOM 0 HA ARG A 89 1.230 13.459 -9.235 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -1.084 13.434 -8.641 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -0.591 11.797 -9.026 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -0.499 11.229 -6.631 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -0.901 12.880 -6.202 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -2.925 11.556 -6.091 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -3.063 12.656 -7.448 1.00 0.00 H new ATOM 0 HE ARG A 89 -2.297 9.768 -7.777 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -4.013 12.677 -8.823 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -4.796 11.864 -10.182 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -3.324 8.728 -9.506 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -4.407 9.634 -10.569 1.00 0.00 H new ATOM 1275 N GLY A 90 2.034 13.778 -6.204 1.00 0.00 N ATOM 1276 CA GLY A 90 2.394 14.747 -5.190 1.00 0.00 C ATOM 1277 C GLY A 90 3.826 15.225 -5.332 1.00 0.00 C ATOM 1278 O GLY A 90 4.068 16.393 -5.632 1.00 0.00 O ATOM 0 H GLY A 90 2.453 12.856 -6.082 1.00 0.00 H new ATOM 0 HA2 GLY A 90 1.720 15.602 -5.252 1.00 0.00 H new ATOM 0 HA3 GLY A 90 2.257 14.305 -4.203 1.00 0.00 H new ATOM 1282 N ARG A 91 4.773 14.309 -5.143 1.00 0.00 N ATOM 1283 CA ARG A 91 6.197 14.636 -5.198 1.00 0.00 C ATOM 1284 C ARG A 91 6.703 14.680 -6.632 1.00 0.00 C ATOM 1285 O ARG A 91 7.597 15.457 -6.965 1.00 0.00 O ATOM 1286 CB ARG A 91 7.022 13.602 -4.423 1.00 0.00 C ATOM 1287 CG ARG A 91 6.853 13.667 -2.920 1.00 0.00 C ATOM 1288 CD ARG A 91 7.743 12.651 -2.218 1.00 0.00 C ATOM 1289 NE ARG A 91 9.151 12.778 -2.607 1.00 0.00 N ATOM 1290 CZ ARG A 91 10.152 12.959 -1.741 1.00 0.00 C ATOM 1291 NH1 ARG A 91 9.908 13.021 -0.436 1.00 0.00 N ATOM 1292 NH2 ARG A 91 11.403 13.056 -2.182 1.00 0.00 N ATOM 0 H ARG A 91 4.578 13.327 -4.949 1.00 0.00 H new ATOM 0 HA ARG A 91 6.314 15.621 -4.745 1.00 0.00 H new ATOM 0 HB2 ARG A 91 6.746 12.605 -4.765 1.00 0.00 H new ATOM 0 HB3 ARG A 91 8.076 13.741 -4.664 1.00 0.00 H new ATOM 0 HG2 ARG A 91 7.095 14.670 -2.568 1.00 0.00 H new ATOM 0 HG3 ARG A 91 5.811 13.481 -2.661 1.00 0.00 H new ATOM 0 HD2 ARG A 91 7.654 12.778 -1.139 1.00 0.00 H new ATOM 0 HD3 ARG A 91 7.394 11.645 -2.450 1.00 0.00 H new ATOM 0 HE ARG A 91 9.380 12.725 -3.599 1.00 0.00 H new ATOM 0 HH11 ARG A 91 8.952 12.930 -0.091 1.00 0.00 H new ATOM 0 HH12 ARG A 91 10.676 13.159 0.220 1.00 0.00 H new ATOM 0 HH21 ARG A 91 11.598 12.992 -3.181 1.00 0.00 H new ATOM 0 HH22 ARG A 91 12.167 13.194 -1.521 1.00 0.00 H new