USER MOD reduce.3.24.130724 H: found=0, std=0, add=491, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 492 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 34 TYR OH : rot -130:sc= 0.354 USER MOD Set 1.2: A 72 MET CE :methyl -148:sc= -0.689 (180deg=-0.469) USER MOD Set 2.1: A 49 ASN : amide:sc= 0.0815 X(o=-0.5,f=-0.25) USER MOD Set 2.2: A 56 GLN : amide:sc= -0.584 X(o=-0.5,f=-0.25) USER MOD Single : A 14 TYR OH : rot 30:sc= -0.585 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 GLN : amide:sc= 0.122 X(o=0.12,f=-0.13) USER MOD Single : A 21 THR OG1 : rot -32:sc= 0.499 USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 MET CE :methyl -171:sc= -0.631 (180deg=-0.747) USER MOD Single : A 30 MET CE :methyl -145:sc= -0.585 (180deg=-2.22!) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= -5.45! K(o=-5.5!,f=-2.5) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -2.31! K(o=-2.3!,f=-0.15) USER MOD Single : A 60 GLN : amide:sc= -0.825 K(o=-0.83,f=-3.1!) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 160:sc= 0.37 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.0145 USER MOD Single : A 66 TYR OH : rot 30:sc= -1.31 USER MOD Single : A 69 HIS : no HE2:sc= -1.21 X(o=-1.2,f=-1.5) USER MOD Single : A 71 HIS : no HD1:sc= -0.986 K(o=-0.99,f=-0.19) USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 14 -12.621 5.267 -4.989 1.00 0.00 N ATOM 2 CA TYR A 14 -11.456 5.527 -4.115 1.00 0.00 C ATOM 3 C TYR A 14 -10.166 4.848 -4.624 1.00 0.00 C ATOM 4 O TYR A 14 -9.083 5.428 -4.515 1.00 0.00 O ATOM 5 CB TYR A 14 -11.781 5.068 -2.668 1.00 0.00 C ATOM 6 CG TYR A 14 -10.679 5.372 -1.635 1.00 0.00 C ATOM 7 CD1 TYR A 14 -10.397 6.691 -1.259 1.00 0.00 C ATOM 8 CD2 TYR A 14 -9.921 4.352 -1.044 1.00 0.00 C ATOM 9 CE1 TYR A 14 -9.409 6.978 -0.339 1.00 0.00 C ATOM 10 CE2 TYR A 14 -8.929 4.639 -0.122 1.00 0.00 C ATOM 11 CZ TYR A 14 -8.679 5.953 0.228 1.00 0.00 C ATOM 12 OH TYR A 14 -7.686 6.245 1.138 1.00 0.00 O ATOM 0 HA TYR A 14 -11.266 6.600 -4.129 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -12.704 5.550 -2.347 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -11.968 3.994 -2.675 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -10.963 7.499 -1.697 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -10.114 3.324 -1.313 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -9.207 8.003 -0.063 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -8.353 3.840 0.322 1.00 0.00 H new ATOM 0 HH TYR A 14 -7.915 7.067 1.620 1.00 0.00 H new ATOM 22 N GLY A 15 -10.301 3.638 -5.195 1.00 0.00 N ATOM 23 CA GLY A 15 -9.148 2.863 -5.672 1.00 0.00 C ATOM 24 C GLY A 15 -8.473 3.488 -6.880 1.00 0.00 C ATOM 25 O GLY A 15 -7.247 3.439 -7.030 1.00 0.00 O ATOM 0 H GLY A 15 -11.200 3.177 -5.336 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -8.422 2.769 -4.865 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -9.475 1.855 -5.926 1.00 0.00 H new ATOM 29 N GLU A 16 -9.294 4.063 -7.749 1.00 0.00 N ATOM 30 CA GLU A 16 -8.844 4.778 -8.944 1.00 0.00 C ATOM 31 C GLU A 16 -8.190 6.102 -8.522 1.00 0.00 C ATOM 32 O GLU A 16 -7.129 6.455 -9.029 1.00 0.00 O ATOM 33 CB GLU A 16 -10.050 5.010 -9.895 1.00 0.00 C ATOM 34 CG GLU A 16 -10.568 3.751 -10.641 1.00 0.00 C ATOM 35 CD GLU A 16 -10.908 2.558 -9.724 1.00 0.00 C ATOM 36 OE1 GLU A 16 -11.682 2.742 -8.763 1.00 0.00 O ATOM 37 OE2 GLU A 16 -10.373 1.446 -9.928 1.00 0.00 O ATOM 0 H GLU A 16 -10.309 4.047 -7.645 1.00 0.00 H new ATOM 0 HA GLU A 16 -8.103 4.189 -9.484 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -10.872 5.430 -9.315 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -9.767 5.758 -10.635 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -11.458 4.021 -11.209 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -9.814 3.435 -11.362 1.00 0.00 H new ATOM 44 N TYR A 17 -8.832 6.787 -7.550 1.00 0.00 N ATOM 45 CA TYR A 17 -8.376 8.089 -7.032 1.00 0.00 C ATOM 46 C TYR A 17 -6.963 7.998 -6.416 1.00 0.00 C ATOM 47 O TYR A 17 -6.092 8.820 -6.734 1.00 0.00 O ATOM 48 CB TYR A 17 -9.394 8.631 -5.980 1.00 0.00 C ATOM 49 CG TYR A 17 -8.876 9.821 -5.151 1.00 0.00 C ATOM 50 CD1 TYR A 17 -8.785 11.102 -5.703 1.00 0.00 C ATOM 51 CD2 TYR A 17 -8.429 9.652 -3.829 1.00 0.00 C ATOM 52 CE1 TYR A 17 -8.280 12.165 -4.972 1.00 0.00 C ATOM 53 CE2 TYR A 17 -7.915 10.712 -3.103 1.00 0.00 C ATOM 54 CZ TYR A 17 -7.843 11.965 -3.676 1.00 0.00 C ATOM 55 OH TYR A 17 -7.316 13.021 -2.955 1.00 0.00 O ATOM 0 H TYR A 17 -9.684 6.448 -7.103 1.00 0.00 H new ATOM 0 HA TYR A 17 -8.322 8.782 -7.872 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -10.306 8.932 -6.496 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -9.664 7.821 -5.302 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -9.115 11.266 -6.718 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -8.488 8.676 -3.371 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -8.228 13.149 -5.414 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -7.571 10.559 -2.091 1.00 0.00 H new ATOM 0 HH TYR A 17 -7.058 12.711 -2.062 1.00 0.00 H new ATOM 65 N VAL A 18 -6.749 6.994 -5.538 1.00 0.00 N ATOM 66 CA VAL A 18 -5.456 6.801 -4.855 1.00 0.00 C ATOM 67 C VAL A 18 -4.352 6.471 -5.872 1.00 0.00 C ATOM 68 O VAL A 18 -3.250 7.000 -5.767 1.00 0.00 O ATOM 69 CB VAL A 18 -5.500 5.728 -3.699 1.00 0.00 C ATOM 70 CG1 VAL A 18 -6.414 6.196 -2.546 1.00 0.00 C ATOM 71 CG2 VAL A 18 -5.922 4.342 -4.220 1.00 0.00 C ATOM 0 H VAL A 18 -7.458 6.305 -5.287 1.00 0.00 H new ATOM 0 HA VAL A 18 -5.225 7.749 -4.369 1.00 0.00 H new ATOM 0 HB VAL A 18 -4.488 5.628 -3.307 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -6.427 5.439 -1.762 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -6.035 7.133 -2.139 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -7.426 6.347 -2.922 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -5.940 3.632 -3.393 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -6.915 4.407 -4.664 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -5.210 4.004 -4.973 1.00 0.00 H new ATOM 81 N GLN A 19 -4.695 5.667 -6.903 1.00 0.00 N ATOM 82 CA GLN A 19 -3.761 5.300 -7.993 1.00 0.00 C ATOM 83 C GLN A 19 -3.190 6.559 -8.684 1.00 0.00 C ATOM 84 O GLN A 19 -2.036 6.571 -9.121 1.00 0.00 O ATOM 85 CB GLN A 19 -4.480 4.391 -9.032 1.00 0.00 C ATOM 86 CG GLN A 19 -3.583 3.892 -10.187 1.00 0.00 C ATOM 87 CD GLN A 19 -4.346 3.095 -11.244 1.00 0.00 C ATOM 88 OE1 GLN A 19 -4.473 1.875 -11.156 1.00 0.00 O ATOM 89 NE2 GLN A 19 -4.861 3.782 -12.254 1.00 0.00 N ATOM 0 H GLN A 19 -5.623 5.255 -7.004 1.00 0.00 H new ATOM 0 HA GLN A 19 -2.928 4.749 -7.556 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -4.894 3.527 -8.513 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -5.320 4.941 -9.455 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -3.105 4.748 -10.663 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -2.787 3.270 -9.777 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -4.738 4.794 -12.298 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -5.380 3.299 -12.987 1.00 0.00 H new ATOM 98 N GLN A 20 -4.014 7.624 -8.738 1.00 0.00 N ATOM 99 CA GLN A 20 -3.625 8.909 -9.340 1.00 0.00 C ATOM 100 C GLN A 20 -2.707 9.701 -8.383 1.00 0.00 C ATOM 101 O GLN A 20 -1.611 10.128 -8.764 1.00 0.00 O ATOM 102 CB GLN A 20 -4.881 9.765 -9.700 1.00 0.00 C ATOM 103 CG GLN A 20 -6.032 8.999 -10.393 1.00 0.00 C ATOM 104 CD GLN A 20 -5.617 8.159 -11.610 1.00 0.00 C ATOM 105 OE1 GLN A 20 -4.685 8.492 -12.338 1.00 0.00 O ATOM 106 NE2 GLN A 20 -6.308 7.049 -11.835 1.00 0.00 N ATOM 0 H GLN A 20 -4.964 7.615 -8.366 1.00 0.00 H new ATOM 0 HA GLN A 20 -3.079 8.693 -10.259 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -5.267 10.215 -8.785 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -4.568 10.582 -10.350 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -6.503 8.342 -9.661 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -6.788 9.718 -10.708 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -7.078 6.793 -11.217 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -6.069 6.451 -12.626 1.00 0.00 H new ATOM 115 N THR A 21 -3.167 9.862 -7.122 1.00 0.00 N ATOM 116 CA THR A 21 -2.526 10.752 -6.120 1.00 0.00 C ATOM 117 C THR A 21 -1.406 10.032 -5.320 1.00 0.00 C ATOM 118 O THR A 21 -0.832 10.617 -4.392 1.00 0.00 O ATOM 119 CB THR A 21 -3.617 11.367 -5.154 1.00 0.00 C ATOM 120 OG1 THR A 21 -3.047 12.366 -4.281 1.00 0.00 O ATOM 121 CG2 THR A 21 -4.319 10.296 -4.307 1.00 0.00 C ATOM 0 H THR A 21 -3.993 9.380 -6.767 1.00 0.00 H new ATOM 0 HA THR A 21 -2.044 11.564 -6.664 1.00 0.00 H new ATOM 0 HB THR A 21 -4.360 11.834 -5.800 1.00 0.00 H new ATOM 0 HG1 THR A 21 -2.118 12.130 -4.077 1.00 0.00 H new ATOM 0 HG21 THR A 21 -5.058 10.770 -3.661 1.00 0.00 H new ATOM 0 HG22 THR A 21 -4.815 9.581 -4.963 1.00 0.00 H new ATOM 0 HG23 THR A 21 -3.582 9.776 -3.695 1.00 0.00 H new ATOM 129 N LEU A 22 -1.080 8.777 -5.693 1.00 0.00 N ATOM 130 CA LEU A 22 0.009 8.015 -5.044 1.00 0.00 C ATOM 131 C LEU A 22 1.378 8.600 -5.465 1.00 0.00 C ATOM 132 O LEU A 22 1.798 8.460 -6.621 1.00 0.00 O ATOM 133 CB LEU A 22 -0.076 6.470 -5.360 1.00 0.00 C ATOM 134 CG LEU A 22 -0.222 5.514 -4.118 1.00 0.00 C ATOM 135 CD1 LEU A 22 0.733 5.908 -2.980 1.00 0.00 C ATOM 136 CD2 LEU A 22 -1.676 5.432 -3.611 1.00 0.00 C ATOM 0 H LEU A 22 -1.555 8.270 -6.440 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.103 8.116 -3.964 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.925 6.302 -6.023 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.820 6.183 -5.910 1.00 0.00 H new ATOM 0 HG LEU A 22 0.059 4.519 -4.462 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.601 5.224 -2.141 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.763 5.854 -3.334 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.513 6.925 -2.656 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.725 4.761 -2.754 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -2.014 6.425 -3.314 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.318 5.053 -4.406 1.00 0.00 H new ATOM 148 N GLN A 23 2.047 9.270 -4.514 1.00 0.00 N ATOM 149 CA GLN A 23 3.338 9.937 -4.741 1.00 0.00 C ATOM 150 C GLN A 23 4.498 8.942 -4.519 1.00 0.00 C ATOM 151 O GLN A 23 4.483 8.220 -3.511 1.00 0.00 O ATOM 152 CB GLN A 23 3.483 11.142 -3.772 1.00 0.00 C ATOM 153 CG GLN A 23 4.806 11.921 -3.891 1.00 0.00 C ATOM 154 CD GLN A 23 4.893 13.073 -2.897 1.00 0.00 C ATOM 155 OE1 GLN A 23 5.389 12.911 -1.783 1.00 0.00 O ATOM 156 NE2 GLN A 23 4.380 14.229 -3.279 1.00 0.00 N ATOM 0 H GLN A 23 1.704 9.365 -3.558 1.00 0.00 H new ATOM 0 HA GLN A 23 3.375 10.296 -5.769 1.00 0.00 H new ATOM 0 HB2 GLN A 23 2.657 11.831 -3.948 1.00 0.00 H new ATOM 0 HB3 GLN A 23 3.384 10.779 -2.749 1.00 0.00 H new ATOM 0 HG2 GLN A 23 5.641 11.240 -3.728 1.00 0.00 H new ATOM 0 HG3 GLN A 23 4.905 12.311 -4.904 1.00 0.00 H new ATOM 0 HE21 GLN A 23 3.977 14.325 -4.211 1.00 0.00 H new ATOM 0 HE22 GLN A 23 4.387 15.025 -2.642 1.00 0.00 H new ATOM 165 N PRO A 24 5.496 8.865 -5.472 1.00 0.00 N ATOM 166 CA PRO A 24 6.755 8.110 -5.283 1.00 0.00 C ATOM 167 C PRO A 24 7.502 8.496 -3.989 1.00 0.00 C ATOM 168 O PRO A 24 8.282 9.454 -3.973 1.00 0.00 O ATOM 169 CB PRO A 24 7.580 8.443 -6.557 1.00 0.00 C ATOM 170 CG PRO A 24 6.544 8.767 -7.586 1.00 0.00 C ATOM 171 CD PRO A 24 5.436 9.467 -6.831 1.00 0.00 C ATOM 0 HA PRO A 24 6.575 7.042 -5.163 1.00 0.00 H new ATOM 0 HB2 PRO A 24 8.252 9.285 -6.389 1.00 0.00 H new ATOM 0 HB3 PRO A 24 8.197 7.599 -6.864 1.00 0.00 H new ATOM 0 HG2 PRO A 24 6.953 9.407 -8.368 1.00 0.00 H new ATOM 0 HG3 PRO A 24 6.178 7.863 -8.073 1.00 0.00 H new ATOM 0 HD2 PRO A 24 5.594 10.545 -6.798 1.00 0.00 H new ATOM 0 HD3 PRO A 24 4.466 9.301 -7.299 1.00 0.00 H new ATOM 179 N GLY A 25 7.154 7.806 -2.885 1.00 0.00 N ATOM 180 CA GLY A 25 7.895 7.890 -1.624 1.00 0.00 C ATOM 181 C GLY A 25 7.076 8.533 -0.521 1.00 0.00 C ATOM 182 O GLY A 25 7.640 9.063 0.439 1.00 0.00 O ATOM 0 H GLY A 25 6.352 7.177 -2.849 1.00 0.00 H new ATOM 0 HA2 GLY A 25 8.197 6.889 -1.314 1.00 0.00 H new ATOM 0 HA3 GLY A 25 8.808 8.465 -1.779 1.00 0.00 H new ATOM 186 N MET A 26 5.731 8.494 -0.656 1.00 0.00 N ATOM 187 CA MET A 26 4.817 9.034 0.370 1.00 0.00 C ATOM 188 C MET A 26 4.470 7.951 1.400 1.00 0.00 C ATOM 189 O MET A 26 4.695 6.763 1.177 1.00 0.00 O ATOM 190 CB MET A 26 3.502 9.620 -0.228 1.00 0.00 C ATOM 191 CG MET A 26 2.548 8.601 -0.888 1.00 0.00 C ATOM 192 SD MET A 26 0.803 9.077 -0.758 1.00 0.00 S ATOM 193 CE MET A 26 0.784 10.772 -1.350 1.00 0.00 C ATOM 0 H MET A 26 5.257 8.094 -1.466 1.00 0.00 H new ATOM 0 HA MET A 26 5.349 9.855 0.851 1.00 0.00 H new ATOM 0 HB2 MET A 26 2.961 10.133 0.567 1.00 0.00 H new ATOM 0 HB3 MET A 26 3.767 10.373 -0.970 1.00 0.00 H new ATOM 0 HG2 MET A 26 2.812 8.493 -1.940 1.00 0.00 H new ATOM 0 HG3 MET A 26 2.689 7.626 -0.422 1.00 0.00 H new ATOM 0 HE1 MET A 26 -0.196 11.211 -1.165 1.00 0.00 H new ATOM 0 HE2 MET A 26 1.545 11.349 -0.825 1.00 0.00 H new ATOM 0 HE3 MET A 26 0.991 10.786 -2.420 1.00 0.00 H new ATOM 203 N ARG A 27 3.850 8.399 2.480 1.00 0.00 N ATOM 204 CA ARG A 27 3.482 7.577 3.635 1.00 0.00 C ATOM 205 C ARG A 27 2.110 6.946 3.380 1.00 0.00 C ATOM 206 O ARG A 27 1.243 7.540 2.726 1.00 0.00 O ATOM 207 CB ARG A 27 3.457 8.454 4.910 1.00 0.00 C ATOM 208 CG ARG A 27 3.081 7.721 6.241 1.00 0.00 C ATOM 209 CD ARG A 27 2.005 8.480 7.038 1.00 0.00 C ATOM 210 NE ARG A 27 1.921 8.095 8.456 1.00 0.00 N ATOM 211 CZ ARG A 27 1.359 8.858 9.419 1.00 0.00 C ATOM 212 NH1 ARG A 27 0.832 10.049 9.131 1.00 0.00 N ATOM 213 NH2 ARG A 27 1.304 8.422 10.665 1.00 0.00 N ATOM 0 H ARG A 27 3.578 9.376 2.586 1.00 0.00 H new ATOM 0 HA ARG A 27 4.215 6.783 3.781 1.00 0.00 H new ATOM 0 HB2 ARG A 27 4.440 8.908 5.034 1.00 0.00 H new ATOM 0 HB3 ARG A 27 2.748 9.267 4.754 1.00 0.00 H new ATOM 0 HG2 ARG A 27 2.721 6.718 6.012 1.00 0.00 H new ATOM 0 HG3 ARG A 27 3.974 7.607 6.856 1.00 0.00 H new ATOM 0 HD2 ARG A 27 2.208 9.549 6.975 1.00 0.00 H new ATOM 0 HD3 ARG A 27 1.035 8.312 6.569 1.00 0.00 H new ATOM 0 HE ARG A 27 2.312 7.194 8.729 1.00 0.00 H new ATOM 0 HH11 ARG A 27 0.850 10.396 8.172 1.00 0.00 H new ATOM 0 HH12 ARG A 27 0.411 10.613 9.870 1.00 0.00 H new ATOM 0 HH21 ARG A 27 1.687 7.507 10.902 1.00 0.00 H new ATOM 0 HH22 ARG A 27 0.879 9.001 11.390 1.00 0.00 H new ATOM 227 N VAL A 28 1.932 5.740 3.908 1.00 0.00 N ATOM 228 CA VAL A 28 0.769 4.886 3.651 1.00 0.00 C ATOM 229 C VAL A 28 0.196 4.370 5.002 1.00 0.00 C ATOM 230 O VAL A 28 0.856 4.480 6.037 1.00 0.00 O ATOM 231 CB VAL A 28 1.212 3.694 2.692 1.00 0.00 C ATOM 232 CG1 VAL A 28 0.148 2.596 2.556 1.00 0.00 C ATOM 233 CG2 VAL A 28 1.632 4.222 1.292 1.00 0.00 C ATOM 0 H VAL A 28 2.607 5.315 4.543 1.00 0.00 H new ATOM 0 HA VAL A 28 -0.023 5.446 3.154 1.00 0.00 H new ATOM 0 HB VAL A 28 2.077 3.234 3.170 1.00 0.00 H new ATOM 0 HG11 VAL A 28 0.514 1.815 1.889 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -0.060 2.168 3.536 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -0.766 3.024 2.146 1.00 0.00 H new ATOM 0 HG21 VAL A 28 1.929 3.384 0.661 1.00 0.00 H new ATOM 0 HG22 VAL A 28 0.792 4.743 0.832 1.00 0.00 H new ATOM 0 HG23 VAL A 28 2.470 4.910 1.399 1.00 0.00 H new ATOM 243 N ARG A 29 -1.042 3.856 4.974 1.00 0.00 N ATOM 244 CA ARG A 29 -1.713 3.180 6.103 1.00 0.00 C ATOM 245 C ARG A 29 -2.548 2.006 5.519 1.00 0.00 C ATOM 246 O ARG A 29 -3.083 2.104 4.410 1.00 0.00 O ATOM 247 CB ARG A 29 -2.591 4.211 6.892 1.00 0.00 C ATOM 248 CG ARG A 29 -2.943 3.830 8.360 1.00 0.00 C ATOM 249 CD ARG A 29 -4.085 2.804 8.500 1.00 0.00 C ATOM 250 NE ARG A 29 -5.370 3.312 7.988 1.00 0.00 N ATOM 251 CZ ARG A 29 -6.568 2.734 8.181 1.00 0.00 C ATOM 252 NH1 ARG A 29 -6.686 1.589 8.844 1.00 0.00 N ATOM 253 NH2 ARG A 29 -7.649 3.310 7.698 1.00 0.00 N ATOM 0 H ARG A 29 -1.626 3.899 4.139 1.00 0.00 H new ATOM 0 HA ARG A 29 -0.993 2.777 6.815 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -2.070 5.168 6.902 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -3.521 4.360 6.344 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -2.051 3.429 8.841 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -3.217 4.736 8.901 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -3.818 1.894 7.963 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -4.198 2.533 9.550 1.00 0.00 H new ATOM 0 HE ARG A 29 -5.349 4.173 7.442 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -5.856 1.129 9.219 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -7.606 1.170 8.978 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -7.573 4.187 7.183 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -8.563 2.879 7.839 1.00 0.00 H new ATOM 267 N MET A 30 -2.651 0.897 6.261 1.00 0.00 N ATOM 268 CA MET A 30 -3.321 -0.326 5.791 1.00 0.00 C ATOM 269 C MET A 30 -4.832 -0.226 6.059 1.00 0.00 C ATOM 270 O MET A 30 -5.255 -0.220 7.215 1.00 0.00 O ATOM 271 CB MET A 30 -2.709 -1.567 6.488 1.00 0.00 C ATOM 272 CG MET A 30 -3.168 -2.937 5.955 1.00 0.00 C ATOM 273 SD MET A 30 -2.449 -3.414 4.354 1.00 0.00 S ATOM 274 CE MET A 30 -3.488 -2.587 3.143 1.00 0.00 C ATOM 0 H MET A 30 -2.273 0.820 7.205 1.00 0.00 H new ATOM 0 HA MET A 30 -3.170 -0.434 4.717 1.00 0.00 H new ATOM 0 HB2 MET A 30 -1.624 -1.510 6.400 1.00 0.00 H new ATOM 0 HB3 MET A 30 -2.945 -1.515 7.551 1.00 0.00 H new ATOM 0 HG2 MET A 30 -2.917 -3.700 6.692 1.00 0.00 H new ATOM 0 HG3 MET A 30 -4.254 -2.929 5.862 1.00 0.00 H new ATOM 0 HE1 MET A 30 -3.586 -3.216 2.258 1.00 0.00 H new ATOM 0 HE2 MET A 30 -4.474 -2.407 3.572 1.00 0.00 H new ATOM 0 HE3 MET A 30 -3.035 -1.636 2.864 1.00 0.00 H new ATOM 284 N LEU A 31 -5.626 -0.135 4.978 1.00 0.00 N ATOM 285 CA LEU A 31 -7.083 0.090 5.058 1.00 0.00 C ATOM 286 C LEU A 31 -7.861 -1.243 5.218 1.00 0.00 C ATOM 287 O LEU A 31 -9.011 -1.245 5.679 1.00 0.00 O ATOM 288 CB LEU A 31 -7.551 0.865 3.793 1.00 0.00 C ATOM 289 CG LEU A 31 -9.041 1.330 3.761 1.00 0.00 C ATOM 290 CD1 LEU A 31 -9.373 2.268 4.946 1.00 0.00 C ATOM 291 CD2 LEU A 31 -9.384 1.992 2.406 1.00 0.00 C ATOM 0 H LEU A 31 -5.277 -0.215 4.023 1.00 0.00 H new ATOM 0 HA LEU A 31 -7.297 0.686 5.945 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -6.918 1.745 3.681 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -7.374 0.233 2.923 1.00 0.00 H new ATOM 0 HG LEU A 31 -9.665 0.443 3.869 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -10.419 2.570 4.889 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -9.198 1.744 5.885 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -8.737 3.152 4.900 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -10.427 2.307 2.409 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -8.743 2.860 2.253 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -9.224 1.276 1.600 1.00 0.00 H new ATOM 303 N ASP A 32 -7.228 -2.371 4.855 1.00 0.00 N ATOM 304 CA ASP A 32 -7.861 -3.708 4.940 1.00 0.00 C ATOM 305 C ASP A 32 -6.873 -4.728 5.515 1.00 0.00 C ATOM 306 O ASP A 32 -5.667 -4.563 5.385 1.00 0.00 O ATOM 307 CB ASP A 32 -8.340 -4.156 3.539 1.00 0.00 C ATOM 308 CG ASP A 32 -9.135 -5.472 3.537 1.00 0.00 C ATOM 309 OD1 ASP A 32 -10.219 -5.520 4.158 1.00 0.00 O ATOM 310 OD2 ASP A 32 -8.685 -6.467 2.932 1.00 0.00 O ATOM 0 H ASP A 32 -6.273 -2.388 4.497 1.00 0.00 H new ATOM 0 HA ASP A 32 -8.723 -3.648 5.604 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -8.960 -3.369 3.110 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -7.472 -4.268 2.889 1.00 0.00 H new ATOM 315 N ASP A 33 -7.407 -5.797 6.120 1.00 0.00 N ATOM 316 CA ASP A 33 -6.594 -6.829 6.788 1.00 0.00 C ATOM 317 C ASP A 33 -5.942 -7.756 5.744 1.00 0.00 C ATOM 318 O ASP A 33 -6.585 -8.154 4.771 1.00 0.00 O ATOM 319 CB ASP A 33 -7.448 -7.647 7.786 1.00 0.00 C ATOM 320 CG ASP A 33 -6.609 -8.687 8.558 1.00 0.00 C ATOM 321 OD1 ASP A 33 -5.842 -8.290 9.459 1.00 0.00 O ATOM 322 OD2 ASP A 33 -6.713 -9.902 8.269 1.00 0.00 O ATOM 0 H ASP A 33 -8.411 -5.973 6.162 1.00 0.00 H new ATOM 0 HA ASP A 33 -5.805 -6.330 7.351 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -7.924 -6.969 8.494 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -8.246 -8.156 7.246 1.00 0.00 H new ATOM 327 N TYR A 34 -4.677 -8.110 5.978 1.00 0.00 N ATOM 328 CA TYR A 34 -3.832 -8.856 5.025 1.00 0.00 C ATOM 329 C TYR A 34 -3.145 -10.038 5.716 1.00 0.00 C ATOM 330 O TYR A 34 -3.225 -10.188 6.940 1.00 0.00 O ATOM 331 CB TYR A 34 -2.795 -7.892 4.350 1.00 0.00 C ATOM 332 CG TYR A 34 -3.288 -7.326 3.018 1.00 0.00 C ATOM 333 CD1 TYR A 34 -4.219 -6.285 2.973 1.00 0.00 C ATOM 334 CD2 TYR A 34 -2.864 -7.870 1.803 1.00 0.00 C ATOM 335 CE1 TYR A 34 -4.695 -5.804 1.774 1.00 0.00 C ATOM 336 CE2 TYR A 34 -3.348 -7.395 0.605 1.00 0.00 C ATOM 337 CZ TYR A 34 -4.260 -6.364 0.597 1.00 0.00 C ATOM 338 OH TYR A 34 -4.746 -5.900 -0.601 1.00 0.00 O ATOM 0 H TYR A 34 -4.196 -7.885 6.849 1.00 0.00 H new ATOM 0 HA TYR A 34 -4.466 -9.267 4.239 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -2.576 -7.069 5.030 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -1.860 -8.429 4.187 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -4.572 -5.849 3.896 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -2.145 -8.676 1.804 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -5.406 -4.991 1.759 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -3.013 -7.830 -0.325 1.00 0.00 H new ATOM 0 HH TYR A 34 -5.050 -6.656 -1.146 1.00 0.00 H new ATOM 348 N GLU A 35 -2.501 -10.876 4.882 1.00 0.00 N ATOM 349 CA GLU A 35 -1.789 -12.109 5.294 1.00 0.00 C ATOM 350 C GLU A 35 -0.840 -11.859 6.489 1.00 0.00 C ATOM 351 O GLU A 35 -0.982 -12.454 7.560 1.00 0.00 O ATOM 352 CB GLU A 35 -0.963 -12.633 4.082 1.00 0.00 C ATOM 353 CG GLU A 35 -1.751 -12.798 2.768 1.00 0.00 C ATOM 354 CD GLU A 35 -2.765 -13.952 2.803 1.00 0.00 C ATOM 355 OE1 GLU A 35 -2.343 -15.123 2.699 1.00 0.00 O ATOM 356 OE2 GLU A 35 -3.983 -13.698 2.922 1.00 0.00 O ATOM 0 H GLU A 35 -2.458 -10.713 3.876 1.00 0.00 H new ATOM 0 HA GLU A 35 -2.530 -12.843 5.610 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -0.134 -11.948 3.905 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.529 -13.596 4.349 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -2.277 -11.869 2.550 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -1.049 -12.966 1.951 1.00 0.00 H new ATOM 363 N GLU A 36 0.110 -10.936 6.279 1.00 0.00 N ATOM 364 CA GLU A 36 1.176 -10.610 7.247 1.00 0.00 C ATOM 365 C GLU A 36 1.085 -9.143 7.711 1.00 0.00 C ATOM 366 O GLU A 36 1.895 -8.695 8.532 1.00 0.00 O ATOM 367 CB GLU A 36 2.552 -10.919 6.592 1.00 0.00 C ATOM 368 CG GLU A 36 2.748 -10.273 5.202 1.00 0.00 C ATOM 369 CD GLU A 36 4.049 -10.688 4.500 1.00 0.00 C ATOM 370 OE1 GLU A 36 4.267 -11.906 4.302 1.00 0.00 O ATOM 371 OE2 GLU A 36 4.832 -9.813 4.094 1.00 0.00 O ATOM 0 H GLU A 36 0.163 -10.386 5.422 1.00 0.00 H new ATOM 0 HA GLU A 36 1.056 -11.223 8.140 1.00 0.00 H new ATOM 0 HB2 GLU A 36 3.344 -10.574 7.256 1.00 0.00 H new ATOM 0 HB3 GLU A 36 2.663 -11.999 6.498 1.00 0.00 H new ATOM 0 HG2 GLU A 36 1.903 -10.539 4.567 1.00 0.00 H new ATOM 0 HG3 GLU A 36 2.736 -9.189 5.311 1.00 0.00 H new ATOM 378 N ILE A 37 0.100 -8.393 7.173 1.00 0.00 N ATOM 379 CA ILE A 37 -0.158 -6.990 7.568 1.00 0.00 C ATOM 380 C ILE A 37 -1.572 -6.904 8.163 1.00 0.00 C ATOM 381 O ILE A 37 -2.477 -7.545 7.666 1.00 0.00 O ATOM 382 CB ILE A 37 -0.029 -5.957 6.369 1.00 0.00 C ATOM 383 CG1 ILE A 37 1.243 -6.217 5.482 1.00 0.00 C ATOM 384 CG2 ILE A 37 -0.037 -4.499 6.898 1.00 0.00 C ATOM 385 CD1 ILE A 37 1.036 -7.216 4.357 1.00 0.00 C ATOM 0 H ILE A 37 -0.537 -8.740 6.456 1.00 0.00 H new ATOM 0 HA ILE A 37 0.605 -6.713 8.296 1.00 0.00 H new ATOM 0 HB ILE A 37 -0.898 -6.106 5.729 1.00 0.00 H new ATOM 0 HG12 ILE A 37 1.571 -5.270 5.053 1.00 0.00 H new ATOM 0 HG13 ILE A 37 2.050 -6.573 6.123 1.00 0.00 H new ATOM 0 HG21 ILE A 37 0.052 -3.807 6.060 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -0.971 -4.309 7.427 1.00 0.00 H new ATOM 0 HG23 ILE A 37 0.802 -4.354 7.579 1.00 0.00 H new ATOM 0 HD11 ILE A 37 1.965 -7.333 3.799 1.00 0.00 H new ATOM 0 HD12 ILE A 37 0.740 -8.178 4.775 1.00 0.00 H new ATOM 0 HD13 ILE A 37 0.254 -6.855 3.689 1.00 0.00 H new ATOM 397 N SER A 38 -1.754 -6.129 9.232 1.00 0.00 N ATOM 398 CA SER A 38 -3.076 -5.896 9.843 1.00 0.00 C ATOM 399 C SER A 38 -3.563 -4.491 9.471 1.00 0.00 C ATOM 400 O SER A 38 -2.741 -3.597 9.208 1.00 0.00 O ATOM 401 CB SER A 38 -2.983 -6.062 11.378 1.00 0.00 C ATOM 402 OG SER A 38 -2.507 -7.355 11.719 1.00 0.00 O ATOM 0 H SER A 38 -0.993 -5.642 9.704 1.00 0.00 H new ATOM 0 HA SER A 38 -3.792 -6.626 9.467 1.00 0.00 H new ATOM 0 HB2 SER A 38 -2.317 -5.304 11.790 1.00 0.00 H new ATOM 0 HB3 SER A 38 -3.964 -5.901 11.825 1.00 0.00 H new ATOM 0 HG SER A 38 -2.454 -7.438 12.694 1.00 0.00 H new ATOM 408 N ALA A 39 -4.895 -4.299 9.427 1.00 0.00 N ATOM 409 CA ALA A 39 -5.487 -2.983 9.153 1.00 0.00 C ATOM 410 C ALA A 39 -5.105 -2.009 10.287 1.00 0.00 C ATOM 411 O ALA A 39 -5.517 -2.207 11.437 1.00 0.00 O ATOM 412 CB ALA A 39 -7.012 -3.111 9.016 1.00 0.00 C ATOM 0 H ALA A 39 -5.579 -5.041 9.578 1.00 0.00 H new ATOM 0 HA ALA A 39 -5.101 -2.590 8.213 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -7.443 -2.130 8.813 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -7.248 -3.788 8.195 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -7.429 -3.505 9.943 1.00 0.00 H new ATOM 418 N GLY A 40 -4.307 -0.978 9.951 1.00 0.00 N ATOM 419 CA GLY A 40 -3.747 -0.053 10.946 1.00 0.00 C ATOM 420 C GLY A 40 -2.263 0.230 10.707 1.00 0.00 C ATOM 421 O GLY A 40 -1.815 1.368 10.902 1.00 0.00 O ATOM 0 H GLY A 40 -4.036 -0.767 8.991 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -4.302 0.885 10.919 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -3.878 -0.473 11.943 1.00 0.00 H new ATOM 425 N ASP A 41 -1.509 -0.802 10.249 1.00 0.00 N ATOM 426 CA ASP A 41 -0.044 -0.688 9.979 1.00 0.00 C ATOM 427 C ASP A 41 0.254 0.349 8.890 1.00 0.00 C ATOM 428 O ASP A 41 -0.532 0.523 7.970 1.00 0.00 O ATOM 429 CB ASP A 41 0.568 -2.051 9.559 1.00 0.00 C ATOM 430 CG ASP A 41 0.615 -3.083 10.697 1.00 0.00 C ATOM 431 OD1 ASP A 41 1.576 -3.060 11.491 1.00 0.00 O ATOM 432 OD2 ASP A 41 -0.305 -3.913 10.806 1.00 0.00 O ATOM 0 H ASP A 41 -1.890 -1.729 10.057 1.00 0.00 H new ATOM 0 HA ASP A 41 0.414 -0.363 10.913 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -0.012 -2.461 8.732 1.00 0.00 H new ATOM 0 HB3 ASP A 41 1.579 -1.886 9.188 1.00 0.00 H new ATOM 437 N GLU A 42 1.407 1.016 9.001 1.00 0.00 N ATOM 438 CA GLU A 42 1.821 2.073 8.069 1.00 0.00 C ATOM 439 C GLU A 42 2.862 1.551 7.074 1.00 0.00 C ATOM 440 O GLU A 42 3.580 0.573 7.350 1.00 0.00 O ATOM 441 CB GLU A 42 2.367 3.276 8.867 1.00 0.00 C ATOM 442 CG GLU A 42 1.311 3.942 9.772 1.00 0.00 C ATOM 443 CD GLU A 42 1.923 4.894 10.808 1.00 0.00 C ATOM 444 OE1 GLU A 42 2.584 5.866 10.404 1.00 0.00 O ATOM 445 OE2 GLU A 42 1.776 4.652 12.028 1.00 0.00 O ATOM 0 H GLU A 42 2.084 0.838 9.743 1.00 0.00 H new ATOM 0 HA GLU A 42 0.955 2.397 7.491 1.00 0.00 H new ATOM 0 HB2 GLU A 42 3.204 2.945 9.481 1.00 0.00 H new ATOM 0 HB3 GLU A 42 2.757 4.018 8.170 1.00 0.00 H new ATOM 0 HG2 GLU A 42 0.605 4.494 9.152 1.00 0.00 H new ATOM 0 HG3 GLU A 42 0.743 3.168 10.289 1.00 0.00 H new ATOM 452 N GLY A 43 2.919 2.222 5.918 1.00 0.00 N ATOM 453 CA GLY A 43 3.778 1.826 4.810 1.00 0.00 C ATOM 454 C GLY A 43 4.409 3.022 4.132 1.00 0.00 C ATOM 455 O GLY A 43 4.255 4.159 4.600 1.00 0.00 O ATOM 0 H GLY A 43 2.366 3.058 5.730 1.00 0.00 H new ATOM 0 HA2 GLY A 43 4.560 1.161 5.176 1.00 0.00 H new ATOM 0 HA3 GLY A 43 3.195 1.261 4.082 1.00 0.00 H new ATOM 459 N GLU A 44 5.146 2.765 3.046 1.00 0.00 N ATOM 460 CA GLU A 44 5.620 3.808 2.131 1.00 0.00 C ATOM 461 C GLU A 44 5.483 3.302 0.697 1.00 0.00 C ATOM 462 O GLU A 44 5.758 2.124 0.437 1.00 0.00 O ATOM 463 CB GLU A 44 7.081 4.227 2.447 1.00 0.00 C ATOM 464 CG GLU A 44 7.604 5.411 1.593 1.00 0.00 C ATOM 465 CD GLU A 44 8.841 6.102 2.192 1.00 0.00 C ATOM 466 OE1 GLU A 44 8.729 6.646 3.308 1.00 0.00 O ATOM 467 OE2 GLU A 44 9.920 6.095 1.571 1.00 0.00 O ATOM 0 H GLU A 44 5.431 1.824 2.776 1.00 0.00 H new ATOM 0 HA GLU A 44 5.009 4.702 2.260 1.00 0.00 H new ATOM 0 HB2 GLU A 44 7.150 4.496 3.501 1.00 0.00 H new ATOM 0 HB3 GLU A 44 7.734 3.368 2.294 1.00 0.00 H new ATOM 0 HG2 GLU A 44 7.848 5.048 0.595 1.00 0.00 H new ATOM 0 HG3 GLU A 44 6.807 6.146 1.479 1.00 0.00 H new ATOM 474 N PHE A 45 5.031 4.171 -0.217 1.00 0.00 N ATOM 475 CA PHE A 45 4.933 3.841 -1.645 1.00 0.00 C ATOM 476 C PHE A 45 6.333 3.753 -2.260 1.00 0.00 C ATOM 477 O PHE A 45 7.106 4.713 -2.195 1.00 0.00 O ATOM 478 CB PHE A 45 4.088 4.886 -2.391 1.00 0.00 C ATOM 479 CG PHE A 45 3.918 4.601 -3.887 1.00 0.00 C ATOM 480 CD1 PHE A 45 3.063 3.601 -4.337 1.00 0.00 C ATOM 481 CD2 PHE A 45 4.612 5.338 -4.838 1.00 0.00 C ATOM 482 CE1 PHE A 45 2.912 3.362 -5.684 1.00 0.00 C ATOM 483 CE2 PHE A 45 4.461 5.095 -6.186 1.00 0.00 C ATOM 484 CZ PHE A 45 3.610 4.109 -6.606 1.00 0.00 C ATOM 0 H PHE A 45 4.725 5.117 0.011 1.00 0.00 H new ATOM 0 HA PHE A 45 4.441 2.873 -1.742 1.00 0.00 H new ATOM 0 HB2 PHE A 45 3.103 4.939 -1.928 1.00 0.00 H new ATOM 0 HB3 PHE A 45 4.550 5.866 -2.269 1.00 0.00 H new ATOM 0 HD1 PHE A 45 2.512 3.006 -3.623 1.00 0.00 H new ATOM 0 HD2 PHE A 45 5.285 6.118 -4.514 1.00 0.00 H new ATOM 0 HE1 PHE A 45 2.242 2.584 -6.020 1.00 0.00 H new ATOM 0 HE2 PHE A 45 5.012 5.680 -6.908 1.00 0.00 H new ATOM 0 HZ PHE A 45 3.486 3.917 -7.661 1.00 0.00 H new ATOM 494 N ARG A 46 6.648 2.589 -2.843 1.00 0.00 N ATOM 495 CA ARG A 46 7.982 2.316 -3.410 1.00 0.00 C ATOM 496 C ARG A 46 7.887 2.291 -4.942 1.00 0.00 C ATOM 497 O ARG A 46 8.662 2.949 -5.639 1.00 0.00 O ATOM 498 CB ARG A 46 8.510 0.955 -2.870 1.00 0.00 C ATOM 499 CG ARG A 46 8.236 0.713 -1.370 1.00 0.00 C ATOM 500 CD ARG A 46 8.875 1.766 -0.454 1.00 0.00 C ATOM 501 NE ARG A 46 10.330 1.601 -0.354 1.00 0.00 N ATOM 502 CZ ARG A 46 11.183 2.510 0.132 1.00 0.00 C ATOM 503 NH1 ARG A 46 10.792 3.748 0.389 1.00 0.00 N ATOM 504 NH2 ARG A 46 12.440 2.174 0.331 1.00 0.00 N ATOM 0 H ARG A 46 5.993 1.813 -2.936 1.00 0.00 H new ATOM 0 HA ARG A 46 8.679 3.100 -3.114 1.00 0.00 H new ATOM 0 HB2 ARG A 46 8.054 0.149 -3.445 1.00 0.00 H new ATOM 0 HB3 ARG A 46 9.585 0.902 -3.044 1.00 0.00 H new ATOM 0 HG2 ARG A 46 7.159 0.702 -1.202 1.00 0.00 H new ATOM 0 HG3 ARG A 46 8.611 -0.273 -1.094 1.00 0.00 H new ATOM 0 HD2 ARG A 46 8.649 2.762 -0.835 1.00 0.00 H new ATOM 0 HD3 ARG A 46 8.434 1.697 0.540 1.00 0.00 H new ATOM 0 HE ARG A 46 10.724 0.719 -0.683 1.00 0.00 H new ATOM 0 HH11 ARG A 46 9.825 4.024 0.217 1.00 0.00 H new ATOM 0 HH12 ARG A 46 11.458 4.427 0.759 1.00 0.00 H new ATOM 0 HH21 ARG A 46 12.755 1.228 0.115 1.00 0.00 H new ATOM 0 HH22 ARG A 46 13.099 2.859 0.701 1.00 0.00 H new ATOM 518 N GLN A 47 6.887 1.537 -5.434 1.00 0.00 N ATOM 519 CA GLN A 47 6.602 1.380 -6.868 1.00 0.00 C ATOM 520 C GLN A 47 5.221 0.724 -7.045 1.00 0.00 C ATOM 521 O GLN A 47 4.746 0.008 -6.152 1.00 0.00 O ATOM 522 CB GLN A 47 7.698 0.526 -7.604 1.00 0.00 C ATOM 523 CG GLN A 47 7.753 -0.989 -7.241 1.00 0.00 C ATOM 524 CD GLN A 47 8.193 -1.279 -5.798 1.00 0.00 C ATOM 525 OE1 GLN A 47 9.377 -1.458 -5.513 1.00 0.00 O ATOM 526 NE2 GLN A 47 7.238 -1.290 -4.872 1.00 0.00 N ATOM 0 H GLN A 47 6.247 1.014 -4.837 1.00 0.00 H new ATOM 0 HA GLN A 47 6.609 2.372 -7.319 1.00 0.00 H new ATOM 0 HB2 GLN A 47 7.536 0.615 -8.678 1.00 0.00 H new ATOM 0 HB3 GLN A 47 8.673 0.964 -7.391 1.00 0.00 H new ATOM 0 HG2 GLN A 47 6.767 -1.425 -7.402 1.00 0.00 H new ATOM 0 HG3 GLN A 47 8.439 -1.490 -7.925 1.00 0.00 H new ATOM 0 HE21 GLN A 47 6.266 -1.138 -5.140 1.00 0.00 H new ATOM 0 HE22 GLN A 47 7.478 -1.450 -3.894 1.00 0.00 H new ATOM 535 N SER A 48 4.604 0.966 -8.204 1.00 0.00 N ATOM 536 CA SER A 48 3.301 0.393 -8.582 1.00 0.00 C ATOM 537 C SER A 48 3.431 -0.377 -9.900 1.00 0.00 C ATOM 538 O SER A 48 4.521 -0.466 -10.480 1.00 0.00 O ATOM 539 CB SER A 48 2.248 1.522 -8.713 1.00 0.00 C ATOM 540 OG SER A 48 2.685 2.552 -9.579 1.00 0.00 O ATOM 0 H SER A 48 4.999 1.575 -8.921 1.00 0.00 H new ATOM 0 HA SER A 48 2.974 -0.300 -7.807 1.00 0.00 H new ATOM 0 HB2 SER A 48 1.313 1.105 -9.087 1.00 0.00 H new ATOM 0 HB3 SER A 48 2.039 1.940 -7.728 1.00 0.00 H new ATOM 0 HG SER A 48 1.994 3.245 -9.638 1.00 0.00 H new ATOM 546 N ASN A 49 2.316 -0.953 -10.339 1.00 0.00 N ATOM 547 CA ASN A 49 2.196 -1.594 -11.654 1.00 0.00 C ATOM 548 C ASN A 49 1.326 -0.705 -12.552 1.00 0.00 C ATOM 549 O ASN A 49 0.322 -0.151 -12.093 1.00 0.00 O ATOM 550 CB ASN A 49 1.618 -3.016 -11.493 1.00 0.00 C ATOM 551 CG ASN A 49 2.610 -3.968 -10.814 1.00 0.00 C ATOM 552 OD1 ASN A 49 3.422 -4.614 -11.473 1.00 0.00 O ATOM 553 ND2 ASN A 49 2.570 -4.043 -9.493 1.00 0.00 N ATOM 0 H ASN A 49 1.458 -0.991 -9.789 1.00 0.00 H new ATOM 0 HA ASN A 49 3.173 -1.702 -12.125 1.00 0.00 H new ATOM 0 HB2 ASN A 49 0.701 -2.970 -10.906 1.00 0.00 H new ATOM 0 HB3 ASN A 49 1.350 -3.411 -12.473 1.00 0.00 H new ATOM 0 HD21 ASN A 49 3.224 -4.648 -8.997 1.00 0.00 H new ATOM 0 HD22 ASN A 49 1.885 -3.495 -8.972 1.00 0.00 H new ATOM 560 N ASN A 50 1.732 -0.601 -13.832 1.00 0.00 N ATOM 561 CA ASN A 50 1.218 0.384 -14.830 1.00 0.00 C ATOM 562 C ASN A 50 -0.326 0.444 -14.979 1.00 0.00 C ATOM 563 O ASN A 50 -0.861 1.455 -15.450 1.00 0.00 O ATOM 564 CB ASN A 50 1.900 0.133 -16.214 1.00 0.00 C ATOM 565 CG ASN A 50 2.009 -1.349 -16.638 1.00 0.00 C ATOM 566 OD1 ASN A 50 2.964 -1.729 -17.316 1.00 0.00 O ATOM 567 ND2 ASN A 50 1.047 -2.196 -16.279 1.00 0.00 N ATOM 0 H ASN A 50 2.448 -1.214 -14.222 1.00 0.00 H new ATOM 0 HA ASN A 50 1.487 1.365 -14.437 1.00 0.00 H new ATOM 0 HB2 ASN A 50 1.341 0.672 -16.979 1.00 0.00 H new ATOM 0 HB3 ASN A 50 2.902 0.561 -16.190 1.00 0.00 H new ATOM 0 HD21 ASN A 50 1.095 -3.174 -16.566 1.00 0.00 H new ATOM 0 HD22 ASN A 50 0.262 -1.867 -15.717 1.00 0.00 H new ATOM 574 N GLY A 51 -1.019 -0.629 -14.599 1.00 0.00 N ATOM 575 CA GLY A 51 -2.486 -0.661 -14.613 1.00 0.00 C ATOM 576 C GLY A 51 -3.010 -1.938 -13.989 1.00 0.00 C ATOM 577 O GLY A 51 -4.065 -2.447 -14.381 1.00 0.00 O ATOM 0 H GLY A 51 -0.587 -1.494 -14.275 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -2.877 0.200 -14.070 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -2.845 -0.580 -15.639 1.00 0.00 H new ATOM 581 N ILE A 52 -2.244 -2.472 -13.016 1.00 0.00 N ATOM 582 CA ILE A 52 -2.554 -3.745 -12.334 1.00 0.00 C ATOM 583 C ILE A 52 -2.790 -3.418 -10.843 1.00 0.00 C ATOM 584 O ILE A 52 -1.963 -2.704 -10.250 1.00 0.00 O ATOM 585 CB ILE A 52 -1.383 -4.807 -12.472 1.00 0.00 C ATOM 586 CG1 ILE A 52 -0.676 -4.726 -13.870 1.00 0.00 C ATOM 587 CG2 ILE A 52 -1.896 -6.249 -12.220 1.00 0.00 C ATOM 588 CD1 ILE A 52 -1.541 -5.094 -15.072 1.00 0.00 C ATOM 0 H ILE A 52 -1.389 -2.030 -12.680 1.00 0.00 H new ATOM 0 HA ILE A 52 -3.434 -4.193 -12.795 1.00 0.00 H new ATOM 0 HB ILE A 52 -0.647 -4.558 -11.708 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -0.305 -3.711 -14.010 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.193 -5.384 -13.856 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -1.069 -6.952 -12.322 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -2.309 -6.318 -11.213 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.671 -6.492 -12.947 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -0.953 -5.003 -15.985 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -1.892 -6.121 -14.967 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -2.397 -4.421 -15.124 1.00 0.00 H new ATOM 600 N PRO A 53 -3.919 -3.895 -10.222 1.00 0.00 N ATOM 601 CA PRO A 53 -4.278 -3.545 -8.826 1.00 0.00 C ATOM 602 C PRO A 53 -3.215 -3.829 -7.687 1.00 0.00 C ATOM 603 O PRO A 53 -3.100 -2.979 -6.791 1.00 0.00 O ATOM 604 CB PRO A 53 -5.633 -4.271 -8.580 1.00 0.00 C ATOM 605 CG PRO A 53 -5.756 -5.286 -9.679 1.00 0.00 C ATOM 606 CD PRO A 53 -4.984 -4.728 -10.853 1.00 0.00 C ATOM 0 HA PRO A 53 -4.331 -2.459 -8.747 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -5.648 -4.750 -7.601 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -6.464 -3.566 -8.603 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -5.350 -6.249 -9.368 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -6.801 -5.451 -9.942 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -4.558 -5.523 -11.465 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -5.623 -4.132 -11.504 1.00 0.00 H new ATOM 614 N PRO A 54 -2.440 -4.987 -7.651 1.00 0.00 N ATOM 615 CA PRO A 54 -1.426 -5.219 -6.589 1.00 0.00 C ATOM 616 C PRO A 54 -0.212 -4.259 -6.705 1.00 0.00 C ATOM 617 O PRO A 54 0.651 -4.420 -7.568 1.00 0.00 O ATOM 618 CB PRO A 54 -1.026 -6.709 -6.783 1.00 0.00 C ATOM 619 CG PRO A 54 -1.294 -6.980 -8.228 1.00 0.00 C ATOM 620 CD PRO A 54 -2.510 -6.148 -8.571 1.00 0.00 C ATOM 0 HA PRO A 54 -1.816 -5.018 -5.591 1.00 0.00 H new ATOM 0 HB2 PRO A 54 0.023 -6.875 -6.535 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -1.613 -7.365 -6.140 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -0.440 -6.702 -8.845 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -1.481 -8.040 -8.401 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -2.491 -5.830 -9.613 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -3.431 -6.713 -8.427 1.00 0.00 H new ATOM 628 N VAL A 55 -0.207 -3.215 -5.856 1.00 0.00 N ATOM 629 CA VAL A 55 0.941 -2.303 -5.677 1.00 0.00 C ATOM 630 C VAL A 55 1.806 -2.774 -4.491 1.00 0.00 C ATOM 631 O VAL A 55 1.287 -3.248 -3.474 1.00 0.00 O ATOM 632 CB VAL A 55 0.477 -0.807 -5.463 1.00 0.00 C ATOM 633 CG1 VAL A 55 -0.649 -0.700 -4.413 1.00 0.00 C ATOM 634 CG2 VAL A 55 1.667 0.116 -5.087 1.00 0.00 C ATOM 0 H VAL A 55 -1.007 -2.977 -5.269 1.00 0.00 H new ATOM 0 HA VAL A 55 1.535 -2.330 -6.590 1.00 0.00 H new ATOM 0 HB VAL A 55 0.076 -0.465 -6.417 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.939 0.344 -4.296 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -1.510 -1.281 -4.743 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -0.294 -1.087 -3.458 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.307 1.135 -4.948 1.00 0.00 H new ATOM 0 HG22 VAL A 55 2.123 -0.237 -4.162 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.408 0.098 -5.886 1.00 0.00 H new ATOM 644 N GLN A 56 3.136 -2.669 -4.660 1.00 0.00 N ATOM 645 CA GLN A 56 4.114 -3.059 -3.636 1.00 0.00 C ATOM 646 C GLN A 56 4.495 -1.824 -2.779 1.00 0.00 C ATOM 647 O GLN A 56 4.958 -0.799 -3.299 1.00 0.00 O ATOM 648 CB GLN A 56 5.379 -3.691 -4.285 1.00 0.00 C ATOM 649 CG GLN A 56 5.187 -5.046 -5.011 1.00 0.00 C ATOM 650 CD GLN A 56 4.361 -4.954 -6.300 1.00 0.00 C ATOM 651 OE1 GLN A 56 4.889 -4.690 -7.381 1.00 0.00 O ATOM 652 NE2 GLN A 56 3.061 -5.179 -6.197 1.00 0.00 N ATOM 0 H GLN A 56 3.561 -2.310 -5.515 1.00 0.00 H new ATOM 0 HA GLN A 56 3.663 -3.812 -2.991 1.00 0.00 H new ATOM 0 HB2 GLN A 56 5.787 -2.977 -5.000 1.00 0.00 H new ATOM 0 HB3 GLN A 56 6.129 -3.826 -3.506 1.00 0.00 H new ATOM 0 HG2 GLN A 56 6.167 -5.461 -5.249 1.00 0.00 H new ATOM 0 HG3 GLN A 56 4.702 -5.745 -4.330 1.00 0.00 H new ATOM 0 HE21 GLN A 56 2.651 -5.395 -5.288 1.00 0.00 H new ATOM 0 HE22 GLN A 56 2.469 -5.136 -7.026 1.00 0.00 H new ATOM 661 N VAL A 57 4.284 -1.952 -1.467 1.00 0.00 N ATOM 662 CA VAL A 57 4.539 -0.903 -0.454 1.00 0.00 C ATOM 663 C VAL A 57 5.305 -1.522 0.715 1.00 0.00 C ATOM 664 O VAL A 57 5.013 -2.651 1.122 1.00 0.00 O ATOM 665 CB VAL A 57 3.188 -0.244 0.072 1.00 0.00 C ATOM 666 CG1 VAL A 57 2.815 1.016 -0.731 1.00 0.00 C ATOM 667 CG2 VAL A 57 2.027 -1.265 0.047 1.00 0.00 C ATOM 0 H VAL A 57 3.919 -2.813 -1.059 1.00 0.00 H new ATOM 0 HA VAL A 57 5.127 -0.111 -0.919 1.00 0.00 H new ATOM 0 HB VAL A 57 3.360 0.060 1.104 1.00 0.00 H new ATOM 0 HG11 VAL A 57 1.888 1.435 -0.341 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.612 1.754 -0.642 1.00 0.00 H new ATOM 0 HG13 VAL A 57 2.681 0.752 -1.780 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.116 -0.789 0.411 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.871 -1.614 -0.974 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.274 -2.113 0.686 1.00 0.00 H new ATOM 677 N PHE A 58 6.273 -0.764 1.254 1.00 0.00 N ATOM 678 CA PHE A 58 7.137 -1.223 2.352 1.00 0.00 C ATOM 679 C PHE A 58 6.363 -1.094 3.664 1.00 0.00 C ATOM 680 O PHE A 58 6.130 0.019 4.134 1.00 0.00 O ATOM 681 CB PHE A 58 8.449 -0.379 2.398 1.00 0.00 C ATOM 682 CG PHE A 58 9.444 -0.772 3.502 1.00 0.00 C ATOM 683 CD1 PHE A 58 9.385 -0.187 4.775 1.00 0.00 C ATOM 684 CD2 PHE A 58 10.436 -1.725 3.272 1.00 0.00 C ATOM 685 CE1 PHE A 58 10.277 -0.543 5.768 1.00 0.00 C ATOM 686 CE2 PHE A 58 11.329 -2.075 4.268 1.00 0.00 C ATOM 687 CZ PHE A 58 11.247 -1.487 5.514 1.00 0.00 C ATOM 0 H PHE A 58 6.478 0.185 0.940 1.00 0.00 H new ATOM 0 HA PHE A 58 7.418 -2.264 2.195 1.00 0.00 H new ATOM 0 HB2 PHE A 58 8.950 -0.463 1.434 1.00 0.00 H new ATOM 0 HB3 PHE A 58 8.183 0.670 2.528 1.00 0.00 H new ATOM 0 HD1 PHE A 58 8.629 0.555 4.983 1.00 0.00 H new ATOM 0 HD2 PHE A 58 10.508 -2.196 2.303 1.00 0.00 H new ATOM 0 HE1 PHE A 58 10.214 -0.082 6.742 1.00 0.00 H new ATOM 0 HE2 PHE A 58 12.094 -2.811 4.070 1.00 0.00 H new ATOM 0 HZ PHE A 58 11.944 -1.767 6.290 1.00 0.00 H new ATOM 697 N TRP A 59 5.962 -2.235 4.224 1.00 0.00 N ATOM 698 CA TRP A 59 5.262 -2.314 5.508 1.00 0.00 C ATOM 699 C TRP A 59 6.267 -2.492 6.642 1.00 0.00 C ATOM 700 O TRP A 59 7.155 -3.347 6.559 1.00 0.00 O ATOM 701 CB TRP A 59 4.246 -3.477 5.500 1.00 0.00 C ATOM 702 CG TRP A 59 3.190 -3.307 4.446 1.00 0.00 C ATOM 703 CD1 TRP A 59 3.080 -3.976 3.262 1.00 0.00 C ATOM 704 CD2 TRP A 59 2.117 -2.362 4.482 1.00 0.00 C ATOM 705 NE1 TRP A 59 1.985 -3.526 2.575 1.00 0.00 N ATOM 706 CE2 TRP A 59 1.382 -2.525 3.305 1.00 0.00 C ATOM 707 CE3 TRP A 59 1.711 -1.397 5.409 1.00 0.00 C ATOM 708 CZ2 TRP A 59 0.256 -1.749 3.023 1.00 0.00 C ATOM 709 CZ3 TRP A 59 0.600 -0.633 5.130 1.00 0.00 C ATOM 710 CH2 TRP A 59 -0.115 -0.808 3.944 1.00 0.00 C ATOM 0 H TRP A 59 6.116 -3.146 3.792 1.00 0.00 H new ATOM 0 HA TRP A 59 4.716 -1.384 5.666 1.00 0.00 H new ATOM 0 HB2 TRP A 59 4.774 -4.416 5.333 1.00 0.00 H new ATOM 0 HB3 TRP A 59 3.771 -3.548 6.478 1.00 0.00 H new ATOM 0 HD1 TRP A 59 3.756 -4.745 2.918 1.00 0.00 H new ATOM 0 HE1 TRP A 59 1.667 -3.875 1.671 1.00 0.00 H new ATOM 0 HE3 TRP A 59 2.260 -1.253 6.328 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -0.303 -1.887 2.109 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 0.277 0.114 5.840 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -0.978 -0.188 3.750 1.00 0.00 H new ATOM 721 N GLN A 60 6.107 -1.670 7.686 1.00 0.00 N ATOM 722 CA GLN A 60 6.914 -1.727 8.916 1.00 0.00 C ATOM 723 C GLN A 60 6.793 -3.099 9.615 1.00 0.00 C ATOM 724 O GLN A 60 7.745 -3.569 10.244 1.00 0.00 O ATOM 725 CB GLN A 60 6.453 -0.597 9.879 1.00 0.00 C ATOM 726 CG GLN A 60 4.983 -0.725 10.354 1.00 0.00 C ATOM 727 CD GLN A 60 4.556 0.375 11.314 1.00 0.00 C ATOM 728 OE1 GLN A 60 4.006 1.390 10.911 1.00 0.00 O ATOM 729 NE2 GLN A 60 4.847 0.189 12.588 1.00 0.00 N ATOM 0 H GLN A 60 5.402 -0.933 7.702 1.00 0.00 H new ATOM 0 HA GLN A 60 7.961 -1.588 8.648 1.00 0.00 H new ATOM 0 HB2 GLN A 60 7.106 -0.591 10.752 1.00 0.00 H new ATOM 0 HB3 GLN A 60 6.579 0.364 9.380 1.00 0.00 H new ATOM 0 HG2 GLN A 60 4.326 -0.712 9.484 1.00 0.00 H new ATOM 0 HG3 GLN A 60 4.850 -1.692 10.840 1.00 0.00 H new ATOM 0 HE21 GLN A 60 5.306 -0.672 12.886 1.00 0.00 H new ATOM 0 HE22 GLN A 60 4.612 0.906 13.275 1.00 0.00 H new ATOM 738 N SER A 61 5.607 -3.722 9.475 1.00 0.00 N ATOM 739 CA SER A 61 5.241 -4.952 10.195 1.00 0.00 C ATOM 740 C SER A 61 6.081 -6.162 9.739 1.00 0.00 C ATOM 741 O SER A 61 6.571 -6.939 10.568 1.00 0.00 O ATOM 742 CB SER A 61 3.738 -5.251 9.987 1.00 0.00 C ATOM 743 OG SER A 61 3.315 -6.378 10.737 1.00 0.00 O ATOM 0 H SER A 61 4.873 -3.382 8.854 1.00 0.00 H new ATOM 0 HA SER A 61 5.446 -4.788 11.253 1.00 0.00 H new ATOM 0 HB2 SER A 61 3.151 -4.380 10.278 1.00 0.00 H new ATOM 0 HB3 SER A 61 3.546 -5.426 8.929 1.00 0.00 H new ATOM 0 HG SER A 61 2.360 -6.535 10.581 1.00 0.00 H new ATOM 749 N THR A 62 6.225 -6.308 8.414 1.00 0.00 N ATOM 750 CA THR A 62 6.943 -7.436 7.798 1.00 0.00 C ATOM 751 C THR A 62 8.391 -7.041 7.442 1.00 0.00 C ATOM 752 O THR A 62 9.266 -7.909 7.299 1.00 0.00 O ATOM 753 CB THR A 62 6.182 -7.945 6.533 1.00 0.00 C ATOM 754 OG1 THR A 62 6.918 -9.003 5.909 1.00 0.00 O ATOM 755 CG2 THR A 62 5.907 -6.826 5.503 1.00 0.00 C ATOM 0 H THR A 62 5.846 -5.646 7.737 1.00 0.00 H new ATOM 0 HA THR A 62 6.985 -8.248 8.524 1.00 0.00 H new ATOM 0 HB THR A 62 5.214 -8.311 6.876 1.00 0.00 H new ATOM 0 HG1 THR A 62 6.319 -9.522 5.332 1.00 0.00 H new ATOM 0 HG21 THR A 62 5.376 -7.242 4.647 1.00 0.00 H new ATOM 0 HG22 THR A 62 5.299 -6.048 5.964 1.00 0.00 H new ATOM 0 HG23 THR A 62 6.852 -6.397 5.170 1.00 0.00 H new ATOM 763 N GLY A 63 8.628 -5.719 7.315 1.00 0.00 N ATOM 764 CA GLY A 63 9.952 -5.179 7.002 1.00 0.00 C ATOM 765 C GLY A 63 10.305 -5.237 5.520 1.00 0.00 C ATOM 766 O GLY A 63 11.486 -5.155 5.170 1.00 0.00 O ATOM 0 H GLY A 63 7.907 -5.006 7.427 1.00 0.00 H new ATOM 0 HA2 GLY A 63 10.000 -4.143 7.337 1.00 0.00 H new ATOM 0 HA3 GLY A 63 10.703 -5.732 7.567 1.00 0.00 H new ATOM 770 N ARG A 64 9.285 -5.390 4.646 1.00 0.00 N ATOM 771 CA ARG A 64 9.485 -5.542 3.189 1.00 0.00 C ATOM 772 C ARG A 64 8.262 -5.011 2.416 1.00 0.00 C ATOM 773 O ARG A 64 7.307 -4.518 3.024 1.00 0.00 O ATOM 774 CB ARG A 64 9.725 -7.041 2.872 1.00 0.00 C ATOM 775 CG ARG A 64 8.477 -7.934 3.082 1.00 0.00 C ATOM 776 CD ARG A 64 8.804 -9.424 3.157 1.00 0.00 C ATOM 777 NE ARG A 64 7.585 -10.251 3.043 1.00 0.00 N ATOM 778 CZ ARG A 64 7.188 -10.906 1.939 1.00 0.00 C ATOM 779 NH1 ARG A 64 7.882 -10.833 0.808 1.00 0.00 N ATOM 780 NH2 ARG A 64 6.070 -11.610 1.962 1.00 0.00 N ATOM 0 H ARG A 64 8.305 -5.411 4.930 1.00 0.00 H new ATOM 0 HA ARG A 64 10.352 -4.960 2.876 1.00 0.00 H new ATOM 0 HB2 ARG A 64 10.057 -7.135 1.838 1.00 0.00 H new ATOM 0 HB3 ARG A 64 10.534 -7.411 3.502 1.00 0.00 H new ATOM 0 HG2 ARG A 64 7.974 -7.633 4.001 1.00 0.00 H new ATOM 0 HG3 ARG A 64 7.776 -7.764 2.265 1.00 0.00 H new ATOM 0 HD2 ARG A 64 9.499 -9.686 2.359 1.00 0.00 H new ATOM 0 HD3 ARG A 64 9.305 -9.641 4.100 1.00 0.00 H new ATOM 0 HE ARG A 64 6.996 -10.331 3.872 1.00 0.00 H new ATOM 0 HH11 ARG A 64 8.733 -10.272 0.767 1.00 0.00 H new ATOM 0 HH12 ARG A 64 7.564 -11.338 -0.019 1.00 0.00 H new ATOM 0 HH21 ARG A 64 5.513 -11.654 2.815 1.00 0.00 H new ATOM 0 HH22 ARG A 64 5.764 -12.109 1.127 1.00 0.00 H new ATOM 794 N THR A 65 8.296 -5.153 1.077 1.00 0.00 N ATOM 795 CA THR A 65 7.163 -4.825 0.196 1.00 0.00 C ATOM 796 C THR A 65 6.200 -6.019 0.079 1.00 0.00 C ATOM 797 O THR A 65 6.636 -7.177 0.071 1.00 0.00 O ATOM 798 CB THR A 65 7.660 -4.412 -1.234 1.00 0.00 C ATOM 799 OG1 THR A 65 8.727 -5.279 -1.655 1.00 0.00 O ATOM 800 CG2 THR A 65 8.125 -2.952 -1.299 1.00 0.00 C ATOM 0 H THR A 65 9.114 -5.500 0.576 1.00 0.00 H new ATOM 0 HA THR A 65 6.635 -3.982 0.642 1.00 0.00 H new ATOM 0 HB THR A 65 6.809 -4.512 -1.907 1.00 0.00 H new ATOM 0 HG1 THR A 65 9.030 -5.015 -2.549 1.00 0.00 H new ATOM 0 HG21 THR A 65 8.458 -2.721 -2.311 1.00 0.00 H new ATOM 0 HG22 THR A 65 7.298 -2.295 -1.030 1.00 0.00 H new ATOM 0 HG23 THR A 65 8.950 -2.801 -0.602 1.00 0.00 H new ATOM 808 N TYR A 66 4.889 -5.715 -0.012 1.00 0.00 N ATOM 809 CA TYR A 66 3.837 -6.729 -0.206 1.00 0.00 C ATOM 810 C TYR A 66 2.775 -6.203 -1.193 1.00 0.00 C ATOM 811 O TYR A 66 2.581 -4.988 -1.325 1.00 0.00 O ATOM 812 CB TYR A 66 3.182 -7.115 1.153 1.00 0.00 C ATOM 813 CG TYR A 66 2.511 -8.501 1.143 1.00 0.00 C ATOM 814 CD1 TYR A 66 3.298 -9.650 1.155 1.00 0.00 C ATOM 815 CD2 TYR A 66 1.117 -8.669 1.101 1.00 0.00 C ATOM 816 CE1 TYR A 66 2.735 -10.903 1.136 1.00 0.00 C ATOM 817 CE2 TYR A 66 0.554 -9.930 1.073 1.00 0.00 C ATOM 818 CZ TYR A 66 1.372 -11.039 1.094 1.00 0.00 C ATOM 819 OH TYR A 66 0.823 -12.293 1.056 1.00 0.00 O ATOM 0 H TYR A 66 4.532 -4.761 0.047 1.00 0.00 H new ATOM 0 HA TYR A 66 4.292 -7.627 -0.625 1.00 0.00 H new ATOM 0 HB2 TYR A 66 3.944 -7.095 1.932 1.00 0.00 H new ATOM 0 HB3 TYR A 66 2.438 -6.362 1.415 1.00 0.00 H new ATOM 0 HD1 TYR A 66 4.373 -9.554 1.180 1.00 0.00 H new ATOM 0 HD2 TYR A 66 0.476 -7.800 1.090 1.00 0.00 H new ATOM 0 HE1 TYR A 66 3.366 -11.780 1.154 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -0.519 -10.046 1.035 1.00 0.00 H new ATOM 0 HH TYR A 66 1.411 -12.922 1.523 1.00 0.00 H new ATOM 829 N TRP A 67 2.090 -7.149 -1.860 1.00 0.00 N ATOM 830 CA TRP A 67 1.084 -6.875 -2.899 1.00 0.00 C ATOM 831 C TRP A 67 -0.262 -6.530 -2.247 1.00 0.00 C ATOM 832 O TRP A 67 -0.873 -7.391 -1.599 1.00 0.00 O ATOM 833 CB TRP A 67 0.921 -8.124 -3.813 1.00 0.00 C ATOM 834 CG TRP A 67 2.226 -8.681 -4.333 1.00 0.00 C ATOM 835 CD1 TRP A 67 2.922 -8.265 -5.429 1.00 0.00 C ATOM 836 CD2 TRP A 67 2.980 -9.761 -3.764 1.00 0.00 C ATOM 837 NE1 TRP A 67 4.065 -9.005 -5.567 1.00 0.00 N ATOM 838 CE2 TRP A 67 4.123 -9.933 -4.560 1.00 0.00 C ATOM 839 CE3 TRP A 67 2.800 -10.595 -2.651 1.00 0.00 C ATOM 840 CZ2 TRP A 67 5.084 -10.902 -4.289 1.00 0.00 C ATOM 841 CZ3 TRP A 67 3.751 -11.562 -2.383 1.00 0.00 C ATOM 842 CH2 TRP A 67 4.883 -11.706 -3.198 1.00 0.00 C ATOM 0 H TRP A 67 2.224 -8.145 -1.687 1.00 0.00 H new ATOM 0 HA TRP A 67 1.414 -6.029 -3.501 1.00 0.00 H new ATOM 0 HB2 TRP A 67 0.402 -8.904 -3.256 1.00 0.00 H new ATOM 0 HB3 TRP A 67 0.287 -7.861 -4.660 1.00 0.00 H new ATOM 0 HD1 TRP A 67 2.616 -7.468 -6.091 1.00 0.00 H new ATOM 0 HE1 TRP A 67 4.762 -8.885 -6.302 1.00 0.00 H new ATOM 0 HE3 TRP A 67 1.934 -10.484 -2.015 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 5.956 -11.016 -4.916 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 3.620 -12.216 -1.534 1.00 0.00 H new ATOM 0 HH2 TRP A 67 5.612 -12.467 -2.961 1.00 0.00 H new ATOM 853 N VAL A 68 -0.699 -5.265 -2.383 1.00 0.00 N ATOM 854 CA VAL A 68 -1.981 -4.788 -1.825 1.00 0.00 C ATOM 855 C VAL A 68 -2.846 -4.129 -2.924 1.00 0.00 C ATOM 856 O VAL A 68 -2.335 -3.693 -3.951 1.00 0.00 O ATOM 857 CB VAL A 68 -1.772 -3.783 -0.623 1.00 0.00 C ATOM 858 CG1 VAL A 68 -0.901 -4.403 0.507 1.00 0.00 C ATOM 859 CG2 VAL A 68 -1.189 -2.447 -1.118 1.00 0.00 C ATOM 0 H VAL A 68 -0.176 -4.545 -2.881 1.00 0.00 H new ATOM 0 HA VAL A 68 -2.502 -5.663 -1.437 1.00 0.00 H new ATOM 0 HB VAL A 68 -2.752 -3.581 -0.191 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -0.782 -3.679 1.313 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -1.388 -5.299 0.892 1.00 0.00 H new ATOM 0 HG13 VAL A 68 0.079 -4.666 0.108 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -1.055 -1.773 -0.272 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -0.226 -2.625 -1.596 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -1.873 -1.995 -1.837 1.00 0.00 H new ATOM 869 N HIS A 69 -4.153 -4.038 -2.660 1.00 0.00 N ATOM 870 CA HIS A 69 -5.155 -3.502 -3.600 1.00 0.00 C ATOM 871 C HIS A 69 -5.322 -1.991 -3.365 1.00 0.00 C ATOM 872 O HIS A 69 -5.247 -1.549 -2.221 1.00 0.00 O ATOM 873 CB HIS A 69 -6.499 -4.239 -3.369 1.00 0.00 C ATOM 874 CG HIS A 69 -7.596 -3.899 -4.340 1.00 0.00 C ATOM 875 ND1 HIS A 69 -8.862 -3.500 -3.954 1.00 0.00 N ATOM 876 CD2 HIS A 69 -7.626 -3.958 -5.688 1.00 0.00 C ATOM 877 CE1 HIS A 69 -9.607 -3.321 -5.028 1.00 0.00 C ATOM 878 NE2 HIS A 69 -8.884 -3.596 -6.087 1.00 0.00 N ATOM 0 H HIS A 69 -4.556 -4.339 -1.773 1.00 0.00 H new ATOM 0 HA HIS A 69 -4.831 -3.659 -4.629 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -6.317 -5.313 -3.414 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -6.848 -4.016 -2.361 1.00 0.00 H new ATOM 0 HD1 HIS A 69 -9.171 -3.365 -2.991 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -6.807 -4.239 -6.334 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -10.639 -3.002 -5.034 1.00 0.00 H new ATOM 887 N TRP A 70 -5.604 -1.223 -4.438 1.00 0.00 N ATOM 888 CA TRP A 70 -5.703 0.257 -4.370 1.00 0.00 C ATOM 889 C TRP A 70 -6.885 0.716 -3.487 1.00 0.00 C ATOM 890 O TRP A 70 -6.735 1.612 -2.658 1.00 0.00 O ATOM 891 CB TRP A 70 -5.867 0.866 -5.779 1.00 0.00 C ATOM 892 CG TRP A 70 -4.719 0.630 -6.723 1.00 0.00 C ATOM 893 CD1 TRP A 70 -4.675 -0.253 -7.757 1.00 0.00 C ATOM 894 CD2 TRP A 70 -3.461 1.314 -6.728 1.00 0.00 C ATOM 895 NE1 TRP A 70 -3.469 -0.174 -8.400 1.00 0.00 N ATOM 896 CE2 TRP A 70 -2.704 0.779 -7.785 1.00 0.00 C ATOM 897 CE3 TRP A 70 -2.896 2.317 -5.932 1.00 0.00 C ATOM 898 CZ2 TRP A 70 -1.421 1.222 -8.075 1.00 0.00 C ATOM 899 CZ3 TRP A 70 -1.620 2.753 -6.224 1.00 0.00 C ATOM 900 CH2 TRP A 70 -0.895 2.207 -7.283 1.00 0.00 C ATOM 0 H TRP A 70 -5.769 -1.603 -5.370 1.00 0.00 H new ATOM 0 HA TRP A 70 -4.774 0.610 -3.923 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -6.774 0.460 -6.228 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -6.016 1.941 -5.676 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -5.478 -0.921 -8.032 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -3.187 -0.733 -9.205 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -3.448 2.741 -5.106 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -0.858 0.804 -8.896 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -1.175 3.531 -5.622 1.00 0.00 H new ATOM 0 HH2 TRP A 70 0.103 2.569 -7.483 1.00 0.00 H new ATOM 911 N HIS A 71 -8.071 0.093 -3.682 1.00 0.00 N ATOM 912 CA HIS A 71 -9.295 0.438 -2.902 1.00 0.00 C ATOM 913 C HIS A 71 -9.183 -0.022 -1.431 1.00 0.00 C ATOM 914 O HIS A 71 -9.927 0.439 -0.561 1.00 0.00 O ATOM 915 CB HIS A 71 -10.558 -0.163 -3.571 1.00 0.00 C ATOM 916 CG HIS A 71 -11.857 0.311 -2.963 1.00 0.00 C ATOM 917 ND1 HIS A 71 -12.631 -0.463 -2.128 1.00 0.00 N ATOM 918 CD2 HIS A 71 -12.497 1.497 -3.060 1.00 0.00 C ATOM 919 CE1 HIS A 71 -13.685 0.223 -1.745 1.00 0.00 C ATOM 920 NE2 HIS A 71 -13.627 1.418 -2.290 1.00 0.00 N ATOM 0 H HIS A 71 -8.211 -0.648 -4.368 1.00 0.00 H new ATOM 0 HA HIS A 71 -9.388 1.524 -2.899 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -10.551 0.090 -4.631 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -10.511 -1.250 -3.502 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -12.176 2.351 -3.639 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -14.467 -0.135 -1.092 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -14.311 2.164 -2.161 1.00 0.00 H new ATOM 929 N MET A 72 -8.236 -0.933 -1.177 1.00 0.00 N ATOM 930 CA MET A 72 -7.915 -1.453 0.165 1.00 0.00 C ATOM 931 C MET A 72 -6.605 -0.824 0.690 1.00 0.00 C ATOM 932 O MET A 72 -6.037 -1.286 1.688 1.00 0.00 O ATOM 933 CB MET A 72 -7.824 -3.000 0.068 1.00 0.00 C ATOM 934 CG MET A 72 -9.185 -3.696 -0.170 1.00 0.00 C ATOM 935 SD MET A 72 -9.080 -5.164 -1.224 1.00 0.00 S ATOM 936 CE MET A 72 -7.840 -6.140 -0.383 1.00 0.00 C ATOM 0 H MET A 72 -7.657 -1.340 -1.912 1.00 0.00 H new ATOM 0 HA MET A 72 -8.693 -1.186 0.880 1.00 0.00 H new ATOM 0 HB2 MET A 72 -7.146 -3.264 -0.743 1.00 0.00 H new ATOM 0 HB3 MET A 72 -7.386 -3.386 0.988 1.00 0.00 H new ATOM 0 HG2 MET A 72 -9.610 -3.981 0.792 1.00 0.00 H new ATOM 0 HG3 MET A 72 -9.873 -2.983 -0.624 1.00 0.00 H new ATOM 0 HE1 MET A 72 -7.276 -6.719 -1.114 1.00 0.00 H new ATOM 0 HE2 MET A 72 -7.162 -5.480 0.158 1.00 0.00 H new ATOM 0 HE3 MET A 72 -8.325 -6.817 0.320 1.00 0.00 H new ATOM 946 N LEU A 73 -6.165 0.257 0.019 1.00 0.00 N ATOM 947 CA LEU A 73 -4.965 1.021 0.378 1.00 0.00 C ATOM 948 C LEU A 73 -5.381 2.462 0.699 1.00 0.00 C ATOM 949 O LEU A 73 -5.972 3.141 -0.152 1.00 0.00 O ATOM 950 CB LEU A 73 -3.949 1.014 -0.805 1.00 0.00 C ATOM 951 CG LEU A 73 -2.537 1.584 -0.485 1.00 0.00 C ATOM 952 CD1 LEU A 73 -1.820 0.688 0.545 1.00 0.00 C ATOM 953 CD2 LEU A 73 -1.697 1.776 -1.772 1.00 0.00 C ATOM 0 H LEU A 73 -6.645 0.627 -0.802 1.00 0.00 H new ATOM 0 HA LEU A 73 -4.486 0.568 1.246 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -3.836 -0.012 -1.156 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -4.374 1.588 -1.628 1.00 0.00 H new ATOM 0 HG LEU A 73 -2.657 2.573 -0.042 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -0.833 1.098 0.760 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -2.405 0.650 1.464 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -1.714 -0.319 0.140 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -0.717 2.176 -1.511 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -1.575 0.816 -2.274 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -2.206 2.472 -2.439 1.00 0.00 H new ATOM 965 N GLU A 74 -5.083 2.914 1.919 1.00 0.00 N ATOM 966 CA GLU A 74 -5.327 4.297 2.349 1.00 0.00 C ATOM 967 C GLU A 74 -3.987 4.988 2.570 1.00 0.00 C ATOM 968 O GLU A 74 -3.206 4.549 3.393 1.00 0.00 O ATOM 969 CB GLU A 74 -6.142 4.335 3.665 1.00 0.00 C ATOM 970 CG GLU A 74 -6.381 5.757 4.214 1.00 0.00 C ATOM 971 CD GLU A 74 -7.026 5.751 5.598 1.00 0.00 C ATOM 972 OE1 GLU A 74 -8.267 5.638 5.692 1.00 0.00 O ATOM 973 OE2 GLU A 74 -6.292 5.818 6.602 1.00 0.00 O ATOM 0 H GLU A 74 -4.663 2.330 2.642 1.00 0.00 H new ATOM 0 HA GLU A 74 -5.899 4.808 1.575 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -7.106 3.855 3.497 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -5.620 3.748 4.421 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -5.431 6.288 4.262 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -7.019 6.307 3.522 1.00 0.00 H new ATOM 980 N ILE A 75 -3.711 6.061 1.843 1.00 0.00 N ATOM 981 CA ILE A 75 -2.494 6.848 2.066 1.00 0.00 C ATOM 982 C ILE A 75 -2.730 7.910 3.153 1.00 0.00 C ATOM 983 O ILE A 75 -3.582 8.792 3.018 1.00 0.00 O ATOM 984 CB ILE A 75 -1.951 7.487 0.742 1.00 0.00 C ATOM 985 CG1 ILE A 75 -3.066 8.300 -0.012 1.00 0.00 C ATOM 986 CG2 ILE A 75 -1.345 6.384 -0.153 1.00 0.00 C ATOM 987 CD1 ILE A 75 -2.638 8.905 -1.335 1.00 0.00 C ATOM 0 H ILE A 75 -4.308 6.411 1.094 1.00 0.00 H new ATOM 0 HA ILE A 75 -1.720 6.166 2.418 1.00 0.00 H new ATOM 0 HB ILE A 75 -1.168 8.202 0.995 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -3.916 7.642 -0.190 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -3.414 9.101 0.640 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -0.968 6.829 -1.074 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -0.527 5.895 0.376 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -2.112 5.648 -0.394 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -3.476 9.445 -1.776 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -1.810 9.594 -1.169 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -2.320 8.112 -2.012 1.00 0.00 H new ATOM 999 N LEU A 76 -1.975 7.783 4.253 1.00 0.00 N ATOM 1000 CA LEU A 76 -1.976 8.758 5.356 1.00 0.00 C ATOM 1001 C LEU A 76 -0.792 9.748 5.162 1.00 0.00 C ATOM 1002 O LEU A 76 -0.399 10.466 6.091 1.00 0.00 O ATOM 1003 CB LEU A 76 -1.920 7.991 6.716 1.00 0.00 C ATOM 1004 CG LEU A 76 -2.252 8.810 8.010 1.00 0.00 C ATOM 1005 CD1 LEU A 76 -3.619 9.523 7.896 1.00 0.00 C ATOM 1006 CD2 LEU A 76 -2.183 7.907 9.272 1.00 0.00 C ATOM 0 H LEU A 76 -1.343 6.997 4.405 1.00 0.00 H new ATOM 0 HA LEU A 76 -2.891 9.351 5.360 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -2.613 7.151 6.660 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -0.920 7.572 6.828 1.00 0.00 H new ATOM 0 HG LEU A 76 -1.494 9.586 8.115 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -3.816 10.081 8.811 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -3.602 10.209 7.049 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -4.404 8.782 7.747 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -2.417 8.499 10.156 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -2.904 7.095 9.178 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -1.179 7.493 9.368 1.00 0.00 H new ATOM 1018 N GLY A 77 -0.218 9.751 3.929 1.00 0.00 N ATOM 1019 CA GLY A 77 0.764 10.748 3.490 1.00 0.00 C ATOM 1020 C GLY A 77 0.223 12.180 3.558 1.00 0.00 C ATOM 1021 O GLY A 77 0.853 13.041 4.196 1.00 0.00 O ATOM 0 H GLY A 77 -0.433 9.053 3.217 1.00 0.00 H new ATOM 0 HA2 GLY A 77 1.656 10.671 4.111 1.00 0.00 H new ATOM 0 HA3 GLY A 77 1.068 10.527 2.467 1.00 0.00 H new TER 1025 GLY A 77