USER MOD reduce.3.24.130724 H: found=0, std=0, add=506, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 504 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 45 GLN : amide:sc=-0.00642 X(o=-7.7,f=-7.6) USER MOD Set 1.2: A 49 HIS : no HD1:sc= -7.71! C(o=-7.7!,f=-7.4!) USER MOD Set 2.1: A 12 CYS SG : rot -21:sc= -3.1! USER MOD Set 2.2: A 16 GLN : amide:sc= -12.2! C(o=-15!,f=-17!) USER MOD Set 2.3: A 24 GLN : amide:sc= -0.147 X(o=-15,f=-15) USER MOD Single : A 1 MET CE :methyl -142:sc= -9.65! (180deg=-16.1!) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 ASN : amide:sc= -0.0122 K(o=-0.012,f=-2.1!) USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 MET CE :methyl -144:sc= -5.23! (180deg=-8.25!) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 THR OG1 : rot 127:sc= 0.27 USER MOD Single : A 19 HIS : no HD1:sc= -0.0494 X(o=-0.049,f=-0.39) USER MOD Single : A 27 GLN : amide:sc= -3.81! C(o=-3.8!,f=-3.6!) USER MOD Single : A 29 GLN : amide:sc= -2.44 K(o=-2.4,f=-1.9) USER MOD Single : A 37 ASN : amide:sc= -2.83! C(o=-2.8!,f=-6.5!) USER MOD Single : A 38 GLN : amide:sc= -1.52 K(o=-1.5,f=0.15!) USER MOD Single : A 39 GLN : amide:sc= -3.72! C(o=-3.7!,f=-3.7!) USER MOD Single : A 48 GLN : amide:sc= -0.0562 K(o=-0.056,f=-0.87) USER MOD Single : A 52 GLN : amide:sc= -1.71! K(o=-1.7!,f=-0.95) USER MOD Single : A 56 GLN : amide:sc= -3.69! C(o=-3.7!,f=-3.8!) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -14.757 2.836 -1.710 1.00 0.00 N ATOM 2 CA MET A 1 -13.358 2.849 -1.192 1.00 0.00 C ATOM 3 C MET A 1 -12.506 3.848 -1.953 1.00 0.00 C ATOM 4 O MET A 1 -12.609 3.991 -3.155 1.00 0.00 O ATOM 5 CB MET A 1 -12.805 1.457 -1.451 1.00 0.00 C ATOM 6 CG MET A 1 -11.979 0.991 -0.258 1.00 0.00 C ATOM 7 SD MET A 1 -10.290 1.632 -0.373 1.00 0.00 S ATOM 8 CE MET A 1 -9.601 0.656 0.991 1.00 0.00 C ATOM 0 H1 MET A 1 -15.319 2.145 -1.173 1.00 0.00 H new ATOM 0 H2 MET A 1 -15.176 3.782 -1.602 1.00 0.00 H new ATOM 0 H3 MET A 1 -14.752 2.572 -2.716 1.00 0.00 H new ATOM 0 HA MET A 1 -13.345 3.124 -0.137 1.00 0.00 H new ATOM 0 HB2 MET A 1 -13.623 0.760 -1.631 1.00 0.00 H new ATOM 0 HB3 MET A 1 -12.188 1.464 -2.350 1.00 0.00 H new ATOM 0 HG2 MET A 1 -12.442 1.331 0.668 1.00 0.00 H new ATOM 0 HG3 MET A 1 -11.960 -0.098 -0.224 1.00 0.00 H new ATOM 0 HE1 MET A 1 -8.886 1.262 1.547 1.00 0.00 H new ATOM 0 HE2 MET A 1 -10.405 0.342 1.656 1.00 0.00 H new ATOM 0 HE3 MET A 1 -9.097 -0.224 0.591 1.00 0.00 H new ATOM 20 N GLN A 2 -11.636 4.506 -1.264 1.00 0.00 N ATOM 21 CA GLN A 2 -10.730 5.466 -1.928 1.00 0.00 C ATOM 22 C GLN A 2 -9.461 5.531 -1.147 1.00 0.00 C ATOM 23 O GLN A 2 -9.426 5.289 0.039 1.00 0.00 O ATOM 24 CB GLN A 2 -11.452 6.792 -1.914 1.00 0.00 C ATOM 25 CG GLN A 2 -10.530 7.883 -2.456 1.00 0.00 C ATOM 26 CD GLN A 2 -11.361 9.104 -2.851 1.00 0.00 C ATOM 27 OE1 GLN A 2 -11.576 9.992 -2.052 1.00 0.00 O ATOM 28 NE2 GLN A 2 -11.841 9.184 -4.062 1.00 0.00 N ATOM 0 H GLN A 2 -11.510 4.420 -0.255 1.00 0.00 H new ATOM 0 HA GLN A 2 -10.480 5.183 -2.950 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -12.356 6.732 -2.520 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -11.764 7.037 -0.899 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -9.794 8.160 -1.701 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -9.978 7.511 -3.319 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -11.660 8.437 -4.733 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -12.397 9.993 -4.338 1.00 0.00 H new ATOM 37 N ILE A 3 -8.394 5.748 -1.807 1.00 0.00 N ATOM 38 CA ILE A 3 -7.135 5.712 -1.092 1.00 0.00 C ATOM 39 C ILE A 3 -6.141 6.681 -1.695 1.00 0.00 C ATOM 40 O ILE A 3 -6.377 7.289 -2.719 1.00 0.00 O ATOM 41 CB ILE A 3 -6.672 4.262 -1.278 1.00 0.00 C ATOM 42 CG1 ILE A 3 -5.728 4.165 -2.488 1.00 0.00 C ATOM 43 CG2 ILE A 3 -7.893 3.342 -1.509 1.00 0.00 C ATOM 44 CD1 ILE A 3 -5.870 2.804 -3.178 1.00 0.00 C ATOM 0 H ILE A 3 -8.339 5.948 -2.806 1.00 0.00 H new ATOM 0 HA ILE A 3 -7.227 6.002 -0.045 1.00 0.00 H new ATOM 0 HB ILE A 3 -6.145 3.945 -0.378 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -5.953 4.963 -3.196 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -4.697 4.308 -2.164 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -7.555 2.314 -1.640 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -8.559 3.398 -0.648 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -8.428 3.665 -2.402 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -5.193 2.756 -4.031 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -5.621 2.011 -2.473 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -6.897 2.675 -3.521 1.00 0.00 H new ATOM 56 N LEU A 4 -5.008 6.778 -1.098 1.00 0.00 N ATOM 57 CA LEU A 4 -3.975 7.644 -1.665 1.00 0.00 C ATOM 58 C LEU A 4 -2.705 6.832 -1.840 1.00 0.00 C ATOM 59 O LEU A 4 -2.043 6.481 -0.889 1.00 0.00 O ATOM 60 CB LEU A 4 -3.774 8.756 -0.649 1.00 0.00 C ATOM 61 CG LEU A 4 -2.731 9.733 -1.192 1.00 0.00 C ATOM 62 CD1 LEU A 4 -1.353 9.112 -1.019 1.00 0.00 C ATOM 63 CD2 LEU A 4 -3.003 9.984 -2.673 1.00 0.00 C ATOM 0 H LEU A 4 -4.753 6.292 -0.238 1.00 0.00 H new ATOM 0 HA LEU A 4 -4.247 8.053 -2.638 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -4.715 9.273 -0.463 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -3.444 8.342 0.304 1.00 0.00 H new ATOM 0 HG LEU A 4 -2.780 10.680 -0.654 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -0.595 9.796 -1.401 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -1.170 8.922 0.039 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -1.305 8.173 -1.570 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -2.262 10.680 -3.066 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -2.942 9.043 -3.219 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -4.000 10.409 -2.793 1.00 0.00 H new ATOM 75 N PHE A 5 -2.352 6.533 -3.045 1.00 0.00 N ATOM 76 CA PHE A 5 -1.117 5.748 -3.262 1.00 0.00 C ATOM 77 C PHE A 5 -0.019 6.681 -3.781 1.00 0.00 C ATOM 78 O PHE A 5 -0.005 7.054 -4.936 1.00 0.00 O ATOM 79 CB PHE A 5 -1.504 4.702 -4.309 1.00 0.00 C ATOM 80 CG PHE A 5 -0.267 4.022 -4.845 1.00 0.00 C ATOM 81 CD1 PHE A 5 0.557 3.283 -3.988 1.00 0.00 C ATOM 82 CD2 PHE A 5 0.049 4.124 -6.205 1.00 0.00 C ATOM 83 CE1 PHE A 5 1.697 2.645 -4.493 1.00 0.00 C ATOM 84 CE2 PHE A 5 1.187 3.485 -6.710 1.00 0.00 C ATOM 85 CZ PHE A 5 2.011 2.747 -5.854 1.00 0.00 C ATOM 0 H PHE A 5 -2.861 6.796 -3.889 1.00 0.00 H new ATOM 0 HA PHE A 5 -0.734 5.277 -2.357 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -2.172 3.963 -3.866 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -2.050 5.177 -5.124 1.00 0.00 H new ATOM 0 HD1 PHE A 5 0.314 3.205 -2.939 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -0.586 4.696 -6.865 1.00 0.00 H new ATOM 0 HE1 PHE A 5 2.334 2.075 -3.833 1.00 0.00 H new ATOM 0 HE2 PHE A 5 1.429 3.562 -7.760 1.00 0.00 H new ATOM 0 HZ PHE A 5 2.890 2.255 -6.243 1.00 0.00 H new ATOM 95 N ASN A 6 0.887 7.079 -2.936 1.00 0.00 N ATOM 96 CA ASN A 6 1.964 8.008 -3.384 1.00 0.00 C ATOM 97 C ASN A 6 1.345 9.321 -3.839 1.00 0.00 C ATOM 98 O ASN A 6 1.516 9.771 -4.954 1.00 0.00 O ATOM 99 CB ASN A 6 2.689 7.296 -4.529 1.00 0.00 C ATOM 100 CG ASN A 6 4.079 7.907 -4.721 1.00 0.00 C ATOM 101 OD1 ASN A 6 4.406 8.907 -4.114 1.00 0.00 O ATOM 102 ND2 ASN A 6 4.918 7.342 -5.547 1.00 0.00 N ATOM 0 H ASN A 6 0.931 6.803 -1.955 1.00 0.00 H new ATOM 0 HA ASN A 6 2.665 8.249 -2.585 1.00 0.00 H new ATOM 0 HB2 ASN A 6 2.776 6.232 -4.310 1.00 0.00 H new ATOM 0 HB3 ASN A 6 2.112 7.386 -5.449 1.00 0.00 H new ATOM 0 HD21 ASN A 6 5.847 7.740 -5.682 1.00 0.00 H new ATOM 0 HD22 ASN A 6 4.644 6.502 -6.057 1.00 0.00 H new ATOM 109 N ASP A 7 0.614 9.916 -2.957 1.00 0.00 N ATOM 110 CA ASP A 7 -0.068 11.202 -3.250 1.00 0.00 C ATOM 111 C ASP A 7 -0.961 11.037 -4.478 1.00 0.00 C ATOM 112 O ASP A 7 -1.371 11.998 -5.099 1.00 0.00 O ATOM 113 CB ASP A 7 1.019 12.242 -3.490 1.00 0.00 C ATOM 114 CG ASP A 7 2.288 11.888 -2.704 1.00 0.00 C ATOM 115 OD1 ASP A 7 2.160 11.283 -1.652 1.00 0.00 O ATOM 116 OD2 ASP A 7 3.363 12.226 -3.169 1.00 0.00 O ATOM 0 H ASP A 7 0.453 9.558 -2.016 1.00 0.00 H new ATOM 0 HA ASP A 7 -0.704 11.517 -2.423 1.00 0.00 H new ATOM 0 HB2 ASP A 7 1.248 12.298 -4.554 1.00 0.00 H new ATOM 0 HB3 ASP A 7 0.661 13.226 -3.189 1.00 0.00 H new ATOM 121 N GLN A 8 -1.302 9.820 -4.801 1.00 0.00 N ATOM 122 CA GLN A 8 -2.215 9.580 -5.955 1.00 0.00 C ATOM 123 C GLN A 8 -3.530 9.024 -5.422 1.00 0.00 C ATOM 124 O GLN A 8 -3.563 7.977 -4.817 1.00 0.00 O ATOM 125 CB GLN A 8 -1.522 8.538 -6.826 1.00 0.00 C ATOM 126 CG GLN A 8 -0.116 9.021 -7.177 1.00 0.00 C ATOM 127 CD GLN A 8 0.205 8.649 -8.626 1.00 0.00 C ATOM 128 OE1 GLN A 8 0.970 7.739 -8.877 1.00 0.00 O ATOM 129 NE2 GLN A 8 -0.352 9.319 -9.597 1.00 0.00 N ATOM 0 H GLN A 8 -0.988 8.980 -4.315 1.00 0.00 H new ATOM 0 HA GLN A 8 -2.424 10.488 -6.520 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -1.470 7.585 -6.299 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -2.097 8.368 -7.736 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -0.047 10.101 -7.044 1.00 0.00 H new ATOM 0 HG3 GLN A 8 0.613 8.570 -6.504 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -0.994 10.083 -9.387 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -0.145 9.079 -10.567 1.00 0.00 H new ATOM 138 N ALA A 9 -4.610 9.709 -5.617 1.00 0.00 N ATOM 139 CA ALA A 9 -5.898 9.190 -5.083 1.00 0.00 C ATOM 140 C ALA A 9 -6.335 7.936 -5.845 1.00 0.00 C ATOM 141 O ALA A 9 -6.004 7.744 -6.998 1.00 0.00 O ATOM 142 CB ALA A 9 -6.891 10.330 -5.267 1.00 0.00 C ATOM 0 H ALA A 9 -4.664 10.597 -6.117 1.00 0.00 H new ATOM 0 HA ALA A 9 -5.821 8.892 -4.037 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -7.869 10.024 -4.896 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -6.549 11.204 -4.712 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -6.967 10.579 -6.325 1.00 0.00 H new ATOM 148 N MET A 10 -7.051 7.067 -5.185 1.00 0.00 N ATOM 149 CA MET A 10 -7.490 5.791 -5.834 1.00 0.00 C ATOM 150 C MET A 10 -8.830 5.313 -5.304 1.00 0.00 C ATOM 151 O MET A 10 -9.428 5.906 -4.440 1.00 0.00 O ATOM 152 CB MET A 10 -6.484 4.757 -5.376 1.00 0.00 C ATOM 153 CG MET A 10 -6.147 3.795 -6.500 1.00 0.00 C ATOM 154 SD MET A 10 -4.844 4.495 -7.543 1.00 0.00 S ATOM 155 CE MET A 10 -3.435 3.890 -6.582 1.00 0.00 C ATOM 0 H MET A 10 -7.354 7.184 -4.218 1.00 0.00 H new ATOM 0 HA MET A 10 -7.565 5.936 -6.912 1.00 0.00 H new ATOM 0 HB2 MET A 10 -5.577 5.254 -5.033 1.00 0.00 H new ATOM 0 HB3 MET A 10 -6.886 4.204 -4.527 1.00 0.00 H new ATOM 0 HG2 MET A 10 -5.821 2.840 -6.087 1.00 0.00 H new ATOM 0 HG3 MET A 10 -7.036 3.596 -7.099 1.00 0.00 H new ATOM 0 HE1 MET A 10 -2.638 4.633 -6.597 1.00 0.00 H new ATOM 0 HE2 MET A 10 -3.746 3.713 -5.552 1.00 0.00 H new ATOM 0 HE3 MET A 10 -3.071 2.959 -7.017 1.00 0.00 H new ATOM 165 N GLN A 11 -9.242 4.176 -5.786 1.00 0.00 N ATOM 166 CA GLN A 11 -10.482 3.526 -5.299 1.00 0.00 C ATOM 167 C GLN A 11 -10.286 2.027 -5.463 1.00 0.00 C ATOM 168 O GLN A 11 -10.026 1.536 -6.543 1.00 0.00 O ATOM 169 CB GLN A 11 -11.641 3.985 -6.160 1.00 0.00 C ATOM 170 CG GLN A 11 -11.287 5.280 -6.902 1.00 0.00 C ATOM 171 CD GLN A 11 -12.516 5.808 -7.644 1.00 0.00 C ATOM 172 OE1 GLN A 11 -13.136 6.761 -7.215 1.00 0.00 O ATOM 173 NE2 GLN A 11 -12.896 5.230 -8.750 1.00 0.00 N ATOM 0 H GLN A 11 -8.755 3.658 -6.518 1.00 0.00 H new ATOM 0 HA GLN A 11 -10.689 3.779 -4.259 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -11.897 3.207 -6.879 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -12.521 4.146 -5.538 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -10.929 6.028 -6.195 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -10.477 5.095 -7.608 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -12.377 4.430 -9.112 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -13.712 5.578 -9.253 1.00 0.00 H new ATOM 182 N CYS A 12 -10.372 1.309 -4.403 1.00 0.00 N ATOM 183 CA CYS A 12 -10.150 -0.171 -4.488 1.00 0.00 C ATOM 184 C CYS A 12 -11.065 -0.954 -3.549 1.00 0.00 C ATOM 185 O CYS A 12 -12.055 -0.458 -3.050 1.00 0.00 O ATOM 186 CB CYS A 12 -8.689 -0.376 -4.090 1.00 0.00 C ATOM 187 SG CYS A 12 -8.499 -0.118 -2.308 1.00 0.00 S ATOM 0 H CYS A 12 -10.586 1.665 -3.472 1.00 0.00 H new ATOM 0 HA CYS A 12 -10.374 -0.537 -5.490 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -8.367 -1.382 -4.358 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -8.052 0.319 -4.638 1.00 0.00 H new ATOM 0 HG CYS A 12 -9.498 0.584 -1.862 1.00 0.00 H new ATOM 193 N ALA A 13 -10.736 -2.199 -3.341 1.00 0.00 N ATOM 194 CA ALA A 13 -11.562 -3.073 -2.475 1.00 0.00 C ATOM 195 C ALA A 13 -11.364 -2.761 -0.998 1.00 0.00 C ATOM 196 O ALA A 13 -10.351 -3.082 -0.415 1.00 0.00 O ATOM 197 CB ALA A 13 -11.078 -4.492 -2.772 1.00 0.00 C ATOM 0 H ALA A 13 -9.915 -2.651 -3.743 1.00 0.00 H new ATOM 0 HA ALA A 13 -12.624 -2.932 -2.677 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -11.642 -5.203 -2.168 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -11.228 -4.714 -3.829 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -10.018 -4.573 -2.531 1.00 0.00 H new ATOM 203 N ALA A 14 -12.328 -2.151 -0.382 1.00 0.00 N ATOM 204 CA ALA A 14 -12.185 -1.851 1.068 1.00 0.00 C ATOM 205 C ALA A 14 -12.140 -3.151 1.854 1.00 0.00 C ATOM 206 O ALA A 14 -12.835 -4.102 1.555 1.00 0.00 O ATOM 207 CB ALA A 14 -13.417 -1.045 1.453 1.00 0.00 C ATOM 0 H ALA A 14 -13.202 -1.848 -0.811 1.00 0.00 H new ATOM 0 HA ALA A 14 -11.269 -1.300 1.282 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -13.370 -0.793 2.512 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -13.452 -0.129 0.863 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -14.313 -1.635 1.260 1.00 0.00 H new ATOM 213 N GLY A 15 -11.320 -3.198 2.849 1.00 0.00 N ATOM 214 CA GLY A 15 -11.207 -4.430 3.661 1.00 0.00 C ATOM 215 C GLY A 15 -10.169 -5.356 3.025 1.00 0.00 C ATOM 216 O GLY A 15 -9.871 -6.419 3.532 1.00 0.00 O ATOM 0 H GLY A 15 -10.715 -2.430 3.141 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -10.915 -4.182 4.681 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -12.173 -4.932 3.719 1.00 0.00 H new ATOM 220 N GLN A 16 -9.613 -4.952 1.914 1.00 0.00 N ATOM 221 CA GLN A 16 -8.587 -5.791 1.237 1.00 0.00 C ATOM 222 C GLN A 16 -7.190 -5.342 1.695 1.00 0.00 C ATOM 223 O GLN A 16 -6.896 -4.164 1.712 1.00 0.00 O ATOM 224 CB GLN A 16 -8.822 -5.531 -0.256 1.00 0.00 C ATOM 225 CG GLN A 16 -7.716 -4.652 -0.857 1.00 0.00 C ATOM 226 CD GLN A 16 -7.820 -4.679 -2.380 1.00 0.00 C ATOM 227 OE1 GLN A 16 -7.608 -5.703 -2.997 1.00 0.00 O ATOM 228 NE2 GLN A 16 -8.142 -3.592 -3.018 1.00 0.00 N ATOM 0 H GLN A 16 -9.828 -4.072 1.445 1.00 0.00 H new ATOM 0 HA GLN A 16 -8.656 -6.854 1.466 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -8.863 -6.481 -0.789 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -9.788 -5.046 -0.394 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -7.811 -3.629 -0.493 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -6.737 -5.013 -0.542 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -8.320 -2.731 -2.501 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -8.216 -3.601 -4.035 1.00 0.00 H new ATOM 237 N THR A 17 -6.333 -6.245 2.084 1.00 0.00 N ATOM 238 CA THR A 17 -4.990 -5.804 2.550 1.00 0.00 C ATOM 239 C THR A 17 -4.252 -5.027 1.477 1.00 0.00 C ATOM 240 O THR A 17 -4.785 -4.636 0.458 1.00 0.00 O ATOM 241 CB THR A 17 -4.143 -7.046 2.818 1.00 0.00 C ATOM 242 OG1 THR A 17 -3.585 -7.500 1.592 1.00 0.00 O ATOM 243 CG2 THR A 17 -4.964 -8.172 3.413 1.00 0.00 C ATOM 0 H THR A 17 -6.500 -7.251 2.100 1.00 0.00 H new ATOM 0 HA THR A 17 -5.135 -5.181 3.432 1.00 0.00 H new ATOM 0 HB THR A 17 -3.366 -6.771 3.531 1.00 0.00 H new ATOM 0 HG1 THR A 17 -2.614 -7.595 1.689 1.00 0.00 H new ATOM 0 HG21 THR A 17 -4.323 -9.036 3.588 1.00 0.00 H new ATOM 0 HG22 THR A 17 -5.399 -7.845 4.358 1.00 0.00 H new ATOM 0 HG23 THR A 17 -5.761 -8.446 2.722 1.00 0.00 H new ATOM 251 N VAL A 18 -2.990 -4.871 1.720 1.00 0.00 N ATOM 252 CA VAL A 18 -2.073 -4.193 0.778 1.00 0.00 C ATOM 253 C VAL A 18 -1.743 -5.146 -0.324 1.00 0.00 C ATOM 254 O VAL A 18 -1.987 -4.901 -1.480 1.00 0.00 O ATOM 255 CB VAL A 18 -0.848 -4.026 1.592 1.00 0.00 C ATOM 256 CG1 VAL A 18 0.235 -3.364 0.769 1.00 0.00 C ATOM 257 CG2 VAL A 18 -1.193 -3.227 2.827 1.00 0.00 C ATOM 0 H VAL A 18 -2.537 -5.201 2.572 1.00 0.00 H new ATOM 0 HA VAL A 18 -2.475 -3.271 0.357 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.462 -4.996 1.906 1.00 0.00 H new ATOM 0 HG11 VAL A 18 1.132 -3.245 1.376 1.00 0.00 H new ATOM 0 HG12 VAL A 18 0.463 -3.984 -0.098 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -0.109 -2.385 0.435 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -0.299 -3.096 3.437 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -1.578 -2.251 2.533 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -1.951 -3.757 3.403 1.00 0.00 H new ATOM 267 N HIS A 19 -1.245 -6.297 0.049 1.00 0.00 N ATOM 268 CA HIS A 19 -0.969 -7.315 -0.969 1.00 0.00 C ATOM 269 C HIS A 19 -2.242 -7.402 -1.783 1.00 0.00 C ATOM 270 O HIS A 19 -2.248 -7.672 -2.974 1.00 0.00 O ATOM 271 CB HIS A 19 -0.757 -8.587 -0.157 1.00 0.00 C ATOM 272 CG HIS A 19 -0.094 -9.630 -1.012 1.00 0.00 C ATOM 273 ND1 HIS A 19 0.404 -10.812 -0.485 1.00 0.00 N ATOM 274 CD2 HIS A 19 0.170 -9.681 -2.359 1.00 0.00 C ATOM 275 CE1 HIS A 19 0.937 -11.517 -1.499 1.00 0.00 C ATOM 276 NE2 HIS A 19 0.820 -10.873 -2.664 1.00 0.00 N ATOM 0 H HIS A 19 -1.024 -6.561 1.009 1.00 0.00 H new ATOM 0 HA HIS A 19 -0.120 -7.126 -1.626 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -0.141 -8.374 0.716 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -1.713 -8.959 0.211 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -0.088 -8.913 -3.073 1.00 0.00 H new ATOM 0 HE1 HIS A 19 1.402 -12.485 -1.385 1.00 0.00 H new ATOM 0 HE2 HIS A 19 1.139 -11.188 -3.580 1.00 0.00 H new ATOM 284 N GLU A 20 -3.327 -7.086 -1.121 1.00 0.00 N ATOM 285 CA GLU A 20 -4.638 -7.075 -1.813 1.00 0.00 C ATOM 286 C GLU A 20 -4.827 -5.736 -2.518 1.00 0.00 C ATOM 287 O GLU A 20 -5.368 -5.667 -3.602 1.00 0.00 O ATOM 288 CB GLU A 20 -5.684 -7.267 -0.715 1.00 0.00 C ATOM 289 CG GLU A 20 -5.533 -8.659 -0.103 1.00 0.00 C ATOM 290 CD GLU A 20 -6.083 -9.705 -1.074 1.00 0.00 C ATOM 291 OE1 GLU A 20 -7.294 -9.810 -1.176 1.00 0.00 O ATOM 292 OE2 GLU A 20 -5.284 -10.382 -1.701 1.00 0.00 O ATOM 0 H GLU A 20 -3.355 -6.836 -0.132 1.00 0.00 H new ATOM 0 HA GLU A 20 -4.718 -7.855 -2.570 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -5.562 -6.505 0.055 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -6.686 -7.146 -1.128 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -4.484 -8.862 0.111 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -6.068 -8.711 0.845 1.00 0.00 H new ATOM 299 N LEU A 21 -4.379 -4.666 -1.915 1.00 0.00 N ATOM 300 CA LEU A 21 -4.541 -3.341 -2.571 1.00 0.00 C ATOM 301 C LEU A 21 -3.542 -3.226 -3.728 1.00 0.00 C ATOM 302 O LEU A 21 -3.908 -2.961 -4.850 1.00 0.00 O ATOM 303 CB LEU A 21 -4.238 -2.317 -1.470 1.00 0.00 C ATOM 304 CG LEU A 21 -4.978 -0.979 -1.704 1.00 0.00 C ATOM 305 CD1 LEU A 21 -3.988 0.176 -1.584 1.00 0.00 C ATOM 306 CD2 LEU A 21 -5.630 -0.928 -3.092 1.00 0.00 C ATOM 0 H LEU A 21 -3.914 -4.654 -1.007 1.00 0.00 H new ATOM 0 HA LEU A 21 -5.535 -3.187 -2.990 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -4.528 -2.728 -0.503 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -3.164 -2.135 -1.430 1.00 0.00 H new ATOM 0 HG LEU A 21 -5.762 -0.895 -0.951 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -4.508 1.120 -1.749 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.546 0.174 -0.588 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -3.202 0.060 -2.330 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -6.140 0.027 -3.219 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.863 -1.035 -3.859 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -6.351 -1.740 -3.185 1.00 0.00 H new ATOM 318 N LEU A 22 -2.285 -3.463 -3.468 1.00 0.00 N ATOM 319 CA LEU A 22 -1.272 -3.401 -4.557 1.00 0.00 C ATOM 320 C LEU A 22 -1.785 -4.194 -5.737 1.00 0.00 C ATOM 321 O LEU A 22 -1.893 -3.713 -6.848 1.00 0.00 O ATOM 322 CB LEU A 22 -0.040 -4.101 -3.983 1.00 0.00 C ATOM 323 CG LEU A 22 0.739 -3.139 -3.103 1.00 0.00 C ATOM 324 CD1 LEU A 22 1.955 -3.860 -2.522 1.00 0.00 C ATOM 325 CD2 LEU A 22 1.197 -1.967 -3.960 1.00 0.00 C ATOM 0 H LEU A 22 -1.916 -3.697 -2.546 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.059 -2.382 -4.882 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.344 -4.973 -3.404 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.594 -4.462 -4.793 1.00 0.00 H new ATOM 0 HG LEU A 22 0.113 -2.780 -2.286 1.00 0.00 H new ATOM 0 HD11 LEU A 22 2.517 -3.173 -1.889 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.624 -4.712 -1.928 1.00 0.00 H new ATOM 0 HD13 LEU A 22 2.593 -4.210 -3.334 1.00 0.00 H new ATOM 0 HD21 LEU A 22 1.759 -1.264 -3.345 1.00 0.00 H new ATOM 0 HD22 LEU A 22 1.833 -2.332 -4.766 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.327 -1.464 -4.383 1.00 0.00 H new ATOM 337 N GLU A 23 -2.113 -5.418 -5.478 1.00 0.00 N ATOM 338 CA GLU A 23 -2.644 -6.294 -6.551 1.00 0.00 C ATOM 339 C GLU A 23 -3.858 -5.640 -7.222 1.00 0.00 C ATOM 340 O GLU A 23 -3.931 -5.547 -8.431 1.00 0.00 O ATOM 341 CB GLU A 23 -3.047 -7.564 -5.818 1.00 0.00 C ATOM 342 CG GLU A 23 -1.904 -8.580 -5.896 1.00 0.00 C ATOM 343 CD GLU A 23 -2.478 -9.997 -5.942 1.00 0.00 C ATOM 344 OE1 GLU A 23 -2.910 -10.475 -4.907 1.00 0.00 O ATOM 345 OE2 GLU A 23 -2.475 -10.582 -7.013 1.00 0.00 O ATOM 0 H GLU A 23 -2.036 -5.857 -4.560 1.00 0.00 H new ATOM 0 HA GLU A 23 -1.921 -6.482 -7.345 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -3.278 -7.339 -4.777 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -3.951 -7.982 -6.261 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -1.298 -8.393 -6.783 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -1.248 -8.471 -5.033 1.00 0.00 H new ATOM 352 N GLN A 24 -4.810 -5.185 -6.450 1.00 0.00 N ATOM 353 CA GLN A 24 -6.011 -4.538 -7.057 1.00 0.00 C ATOM 354 C GLN A 24 -5.591 -3.308 -7.865 1.00 0.00 C ATOM 355 O GLN A 24 -6.184 -2.982 -8.875 1.00 0.00 O ATOM 356 CB GLN A 24 -6.888 -4.125 -5.874 1.00 0.00 C ATOM 357 CG GLN A 24 -8.205 -3.547 -6.400 1.00 0.00 C ATOM 358 CD GLN A 24 -9.151 -4.688 -6.780 1.00 0.00 C ATOM 359 OE1 GLN A 24 -9.637 -4.744 -7.893 1.00 0.00 O ATOM 360 NE2 GLN A 24 -9.437 -5.605 -5.899 1.00 0.00 N ATOM 0 H GLN A 24 -4.809 -5.233 -5.431 1.00 0.00 H new ATOM 0 HA GLN A 24 -6.538 -5.206 -7.738 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -7.085 -4.985 -5.234 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -6.371 -3.385 -5.263 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -8.666 -2.917 -5.640 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -8.016 -2.914 -7.267 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -9.030 -5.559 -4.965 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -10.068 -6.368 -6.144 1.00 0.00 H new ATOM 369 N LEU A 25 -4.569 -2.627 -7.430 1.00 0.00 N ATOM 370 CA LEU A 25 -4.099 -1.425 -8.161 1.00 0.00 C ATOM 371 C LEU A 25 -3.222 -1.860 -9.336 1.00 0.00 C ATOM 372 O LEU A 25 -2.979 -1.107 -10.256 1.00 0.00 O ATOM 373 CB LEU A 25 -3.288 -0.658 -7.124 1.00 0.00 C ATOM 374 CG LEU A 25 -4.164 -0.385 -5.901 1.00 0.00 C ATOM 375 CD1 LEU A 25 -3.294 0.083 -4.732 1.00 0.00 C ATOM 376 CD2 LEU A 25 -5.186 0.696 -6.229 1.00 0.00 C ATOM 0 H LEU A 25 -4.036 -2.856 -6.591 1.00 0.00 H new ATOM 0 HA LEU A 25 -4.906 -0.820 -8.575 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.408 -1.233 -6.835 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -2.930 0.281 -7.547 1.00 0.00 H new ATOM 0 HG LEU A 25 -4.681 -1.304 -5.625 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.924 0.276 -3.864 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.566 -0.691 -4.487 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.771 0.998 -5.011 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -5.808 0.887 -5.354 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -4.668 1.612 -6.513 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.815 0.364 -7.055 1.00 0.00 H new ATOM 388 N ASP A 26 -2.743 -3.081 -9.284 1.00 0.00 N ATOM 389 CA ASP A 26 -1.867 -3.638 -10.358 1.00 0.00 C ATOM 390 C ASP A 26 -0.447 -3.121 -10.168 1.00 0.00 C ATOM 391 O ASP A 26 0.269 -2.851 -11.111 1.00 0.00 O ATOM 392 CB ASP A 26 -2.460 -3.151 -11.676 1.00 0.00 C ATOM 393 CG ASP A 26 -1.940 -4.014 -12.826 1.00 0.00 C ATOM 394 OD1 ASP A 26 -1.763 -5.202 -12.616 1.00 0.00 O ATOM 395 OD2 ASP A 26 -1.730 -3.472 -13.898 1.00 0.00 O ATOM 0 H ASP A 26 -2.930 -3.730 -8.519 1.00 0.00 H new ATOM 0 HA ASP A 26 -1.822 -4.727 -10.336 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -3.548 -3.199 -11.636 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -2.193 -2.107 -11.842 1.00 0.00 H new ATOM 400 N GLN A 27 -0.042 -2.988 -8.939 1.00 0.00 N ATOM 401 CA GLN A 27 1.327 -2.495 -8.642 1.00 0.00 C ATOM 402 C GLN A 27 1.973 -3.460 -7.648 1.00 0.00 C ATOM 403 O GLN A 27 1.463 -3.675 -6.566 1.00 0.00 O ATOM 404 CB GLN A 27 1.167 -1.094 -8.008 1.00 0.00 C ATOM 405 CG GLN A 27 -0.213 -0.470 -8.313 1.00 0.00 C ATOM 406 CD GLN A 27 -0.025 0.855 -9.053 1.00 0.00 C ATOM 407 OE1 GLN A 27 0.195 1.880 -8.441 1.00 0.00 O ATOM 408 NE2 GLN A 27 -0.106 0.876 -10.356 1.00 0.00 N ATOM 0 H GLN A 27 -0.608 -3.203 -8.118 1.00 0.00 H new ATOM 0 HA GLN A 27 1.951 -2.436 -9.533 1.00 0.00 H new ATOM 0 HB2 GLN A 27 1.300 -1.168 -6.929 1.00 0.00 H new ATOM 0 HB3 GLN A 27 1.952 -0.436 -8.381 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -0.807 -1.155 -8.918 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -0.762 -0.306 -7.386 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -0.291 0.014 -10.869 1.00 0.00 H new ATOM 0 HE22 GLN A 27 0.016 1.754 -10.860 1.00 0.00 H new ATOM 417 N ARG A 28 3.077 -4.060 -7.997 1.00 0.00 N ATOM 418 CA ARG A 28 3.713 -5.018 -7.059 1.00 0.00 C ATOM 419 C ARG A 28 4.769 -4.306 -6.210 1.00 0.00 C ATOM 420 O ARG A 28 4.452 -3.456 -5.402 1.00 0.00 O ATOM 421 CB ARG A 28 4.336 -6.090 -7.954 1.00 0.00 C ATOM 422 CG ARG A 28 3.250 -7.058 -8.421 1.00 0.00 C ATOM 423 CD ARG A 28 3.403 -8.385 -7.673 1.00 0.00 C ATOM 424 NE ARG A 28 2.214 -9.189 -8.065 1.00 0.00 N ATOM 425 CZ ARG A 28 2.326 -10.126 -8.966 1.00 0.00 C ATOM 426 NH1 ARG A 28 2.219 -9.828 -10.231 1.00 0.00 N ATOM 427 NH2 ARG A 28 2.549 -11.360 -8.602 1.00 0.00 N ATOM 0 H ARG A 28 3.561 -3.928 -8.885 1.00 0.00 H new ATOM 0 HA ARG A 28 3.003 -5.453 -6.355 1.00 0.00 H new ATOM 0 HB2 ARG A 28 4.818 -5.626 -8.814 1.00 0.00 H new ATOM 0 HB3 ARG A 28 5.109 -6.630 -7.408 1.00 0.00 H new ATOM 0 HG2 ARG A 28 2.263 -6.634 -8.235 1.00 0.00 H new ATOM 0 HG3 ARG A 28 3.329 -7.221 -9.496 1.00 0.00 H new ATOM 0 HD2 ARG A 28 4.329 -8.889 -7.950 1.00 0.00 H new ATOM 0 HD3 ARG A 28 3.435 -8.229 -6.595 1.00 0.00 H new ATOM 0 HE ARG A 28 1.310 -9.007 -7.629 1.00 0.00 H new ATOM 0 HH11 ARG A 28 2.048 -8.863 -10.515 1.00 0.00 H new ATOM 0 HH12 ARG A 28 2.306 -10.560 -10.936 1.00 0.00 H new ATOM 0 HH21 ARG A 28 2.636 -11.592 -7.613 1.00 0.00 H new ATOM 0 HH22 ARG A 28 2.636 -12.092 -9.307 1.00 0.00 H new ATOM 441 N GLN A 29 6.018 -4.650 -6.367 1.00 0.00 N ATOM 442 CA GLN A 29 7.070 -3.997 -5.551 1.00 0.00 C ATOM 443 C GLN A 29 8.435 -4.650 -5.800 1.00 0.00 C ATOM 444 O GLN A 29 9.393 -3.990 -6.151 1.00 0.00 O ATOM 445 CB GLN A 29 6.642 -4.202 -4.094 1.00 0.00 C ATOM 446 CG GLN A 29 5.822 -5.492 -3.928 1.00 0.00 C ATOM 447 CD GLN A 29 6.148 -6.133 -2.579 1.00 0.00 C ATOM 448 OE1 GLN A 29 7.301 -6.266 -2.219 1.00 0.00 O ATOM 449 NE2 GLN A 29 5.173 -6.538 -1.812 1.00 0.00 N ATOM 0 H GLN A 29 6.351 -5.354 -7.025 1.00 0.00 H new ATOM 0 HA GLN A 29 7.174 -2.942 -5.802 1.00 0.00 H new ATOM 0 HB2 GLN A 29 7.525 -4.245 -3.456 1.00 0.00 H new ATOM 0 HB3 GLN A 29 6.051 -3.348 -3.763 1.00 0.00 H new ATOM 0 HG2 GLN A 29 4.757 -5.269 -3.989 1.00 0.00 H new ATOM 0 HG3 GLN A 29 6.049 -6.186 -4.737 1.00 0.00 H new ATOM 0 HE21 GLN A 29 4.206 -6.426 -2.115 1.00 0.00 H new ATOM 0 HE22 GLN A 29 5.378 -6.967 -0.909 1.00 0.00 H new ATOM 458 N ALA A 30 8.539 -5.940 -5.604 1.00 0.00 N ATOM 459 CA ALA A 30 9.851 -6.621 -5.812 1.00 0.00 C ATOM 460 C ALA A 30 10.865 -6.090 -4.812 1.00 0.00 C ATOM 461 O ALA A 30 12.052 -6.319 -4.932 1.00 0.00 O ATOM 462 CB ALA A 30 10.286 -6.241 -7.218 1.00 0.00 C ATOM 0 H ALA A 30 7.775 -6.548 -5.310 1.00 0.00 H new ATOM 0 HA ALA A 30 9.775 -7.700 -5.681 1.00 0.00 H new ATOM 0 HB1 ALA A 30 11.246 -6.707 -7.440 1.00 0.00 H new ATOM 0 HB2 ALA A 30 9.541 -6.585 -7.935 1.00 0.00 H new ATOM 0 HB3 ALA A 30 10.384 -5.158 -7.288 1.00 0.00 H new ATOM 468 N GLY A 31 10.412 -5.363 -3.838 1.00 0.00 N ATOM 469 CA GLY A 31 11.352 -4.797 -2.847 1.00 0.00 C ATOM 470 C GLY A 31 10.895 -3.385 -2.491 1.00 0.00 C ATOM 471 O GLY A 31 11.682 -2.461 -2.436 1.00 0.00 O ATOM 0 H GLY A 31 9.429 -5.137 -3.686 1.00 0.00 H new ATOM 0 HA2 GLY A 31 11.381 -5.421 -1.954 1.00 0.00 H new ATOM 0 HA3 GLY A 31 12.363 -4.776 -3.254 1.00 0.00 H new ATOM 475 N ALA A 32 9.621 -3.206 -2.267 1.00 0.00 N ATOM 476 CA ALA A 32 9.110 -1.848 -1.938 1.00 0.00 C ATOM 477 C ALA A 32 8.487 -1.813 -0.546 1.00 0.00 C ATOM 478 O ALA A 32 8.131 -2.825 0.024 1.00 0.00 O ATOM 479 CB ALA A 32 8.023 -1.566 -2.978 1.00 0.00 C ATOM 0 H ALA A 32 8.915 -3.941 -2.298 1.00 0.00 H new ATOM 0 HA ALA A 32 9.916 -1.114 -1.950 1.00 0.00 H new ATOM 0 HB1 ALA A 32 7.597 -0.579 -2.800 1.00 0.00 H new ATOM 0 HB2 ALA A 32 8.458 -1.599 -3.977 1.00 0.00 H new ATOM 0 HB3 ALA A 32 7.239 -2.319 -2.898 1.00 0.00 H new ATOM 485 N ALA A 33 8.320 -0.636 -0.023 1.00 0.00 N ATOM 486 CA ALA A 33 7.680 -0.475 1.306 1.00 0.00 C ATOM 487 C ALA A 33 6.700 0.687 1.205 1.00 0.00 C ATOM 488 O ALA A 33 6.778 1.486 0.292 1.00 0.00 O ATOM 489 CB ALA A 33 8.811 -0.162 2.280 1.00 0.00 C ATOM 0 H ALA A 33 8.605 0.236 -0.468 1.00 0.00 H new ATOM 0 HA ALA A 33 7.135 -1.359 1.638 1.00 0.00 H new ATOM 0 HB1 ALA A 33 8.403 -0.032 3.282 1.00 0.00 H new ATOM 0 HB2 ALA A 33 9.526 -0.985 2.284 1.00 0.00 H new ATOM 0 HB3 ALA A 33 9.314 0.754 1.971 1.00 0.00 H new ATOM 495 N LEU A 34 5.762 0.790 2.095 1.00 0.00 N ATOM 496 CA LEU A 34 4.785 1.904 1.976 1.00 0.00 C ATOM 497 C LEU A 34 4.291 2.353 3.357 1.00 0.00 C ATOM 498 O LEU A 34 4.220 1.573 4.285 1.00 0.00 O ATOM 499 CB LEU A 34 3.664 1.298 1.116 1.00 0.00 C ATOM 500 CG LEU A 34 2.308 1.330 1.844 1.00 0.00 C ATOM 501 CD1 LEU A 34 1.193 0.905 0.885 1.00 0.00 C ATOM 502 CD2 LEU A 34 2.339 0.362 3.028 1.00 0.00 C ATOM 0 H LEU A 34 5.627 0.164 2.889 1.00 0.00 H new ATOM 0 HA LEU A 34 5.203 2.806 1.530 1.00 0.00 H new ATOM 0 HB2 LEU A 34 3.587 1.848 0.178 1.00 0.00 H new ATOM 0 HB3 LEU A 34 3.916 0.269 0.862 1.00 0.00 H new ATOM 0 HG LEU A 34 2.120 2.344 2.198 1.00 0.00 H new ATOM 0 HD11 LEU A 34 0.236 0.930 1.406 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.162 1.589 0.037 1.00 0.00 H new ATOM 0 HD13 LEU A 34 1.386 -0.107 0.528 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.378 0.386 3.543 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.533 -0.648 2.667 1.00 0.00 H new ATOM 0 HD23 LEU A 34 3.128 0.658 3.719 1.00 0.00 H new ATOM 514 N ALA A 35 3.924 3.600 3.493 1.00 0.00 N ATOM 515 CA ALA A 35 3.411 4.075 4.810 1.00 0.00 C ATOM 516 C ALA A 35 1.951 4.467 4.671 1.00 0.00 C ATOM 517 O ALA A 35 1.605 5.377 3.943 1.00 0.00 O ATOM 518 CB ALA A 35 4.253 5.290 5.189 1.00 0.00 C ATOM 0 H ALA A 35 3.957 4.304 2.756 1.00 0.00 H new ATOM 0 HA ALA A 35 3.480 3.301 5.574 1.00 0.00 H new ATOM 0 HB1 ALA A 35 3.918 5.679 6.150 1.00 0.00 H new ATOM 0 HB2 ALA A 35 5.301 4.998 5.261 1.00 0.00 H new ATOM 0 HB3 ALA A 35 4.143 6.061 4.427 1.00 0.00 H new ATOM 524 N ILE A 36 1.088 3.785 5.357 1.00 0.00 N ATOM 525 CA ILE A 36 -0.354 4.125 5.248 1.00 0.00 C ATOM 526 C ILE A 36 -0.794 4.967 6.444 1.00 0.00 C ATOM 527 O ILE A 36 -0.493 4.661 7.577 1.00 0.00 O ATOM 528 CB ILE A 36 -1.092 2.789 5.231 1.00 0.00 C ATOM 529 CG1 ILE A 36 -0.523 1.910 4.112 1.00 0.00 C ATOM 530 CG2 ILE A 36 -2.578 3.048 4.973 1.00 0.00 C ATOM 531 CD1 ILE A 36 -1.471 0.740 3.839 1.00 0.00 C ATOM 0 H ILE A 36 1.313 3.013 5.984 1.00 0.00 H new ATOM 0 HA ILE A 36 -0.565 4.710 4.353 1.00 0.00 H new ATOM 0 HB ILE A 36 -0.967 2.282 6.187 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -0.389 2.501 3.206 1.00 0.00 H new ATOM 0 HG13 ILE A 36 0.460 1.535 4.396 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.115 2.100 4.959 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -2.980 3.681 5.764 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -2.699 3.548 4.012 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -1.062 0.118 3.043 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -1.583 0.143 4.744 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -2.445 1.124 3.535 1.00 0.00 H new ATOM 543 N ASN A 37 -1.500 6.030 6.205 1.00 0.00 N ATOM 544 CA ASN A 37 -1.949 6.881 7.338 1.00 0.00 C ATOM 545 C ASN A 37 -0.737 7.331 8.163 1.00 0.00 C ATOM 546 O ASN A 37 -0.854 7.621 9.332 1.00 0.00 O ATOM 547 CB ASN A 37 -2.868 5.983 8.168 1.00 0.00 C ATOM 548 CG ASN A 37 -3.982 5.434 7.274 1.00 0.00 C ATOM 549 OD1 ASN A 37 -4.295 6.011 6.252 1.00 0.00 O ATOM 550 ND2 ASN A 37 -4.597 4.335 7.616 1.00 0.00 N ATOM 0 H ASN A 37 -1.786 6.347 5.279 1.00 0.00 H new ATOM 0 HA ASN A 37 -2.461 7.784 7.006 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -2.297 5.162 8.603 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -3.296 6.548 8.996 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -5.340 3.961 7.025 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -4.335 3.850 8.474 1.00 0.00 H new ATOM 557 N GLN A 38 0.416 7.384 7.537 1.00 0.00 N ATOM 558 CA GLN A 38 1.686 7.812 8.222 1.00 0.00 C ATOM 559 C GLN A 38 2.345 6.635 8.944 1.00 0.00 C ATOM 560 O GLN A 38 3.282 6.811 9.698 1.00 0.00 O ATOM 561 CB GLN A 38 1.312 8.945 9.203 1.00 0.00 C ATOM 562 CG GLN A 38 1.132 8.406 10.633 1.00 0.00 C ATOM 563 CD GLN A 38 0.096 9.253 11.374 1.00 0.00 C ATOM 564 OE1 GLN A 38 -1.085 8.974 11.319 1.00 0.00 O ATOM 565 NE2 GLN A 38 0.490 10.282 12.072 1.00 0.00 N ATOM 0 H GLN A 38 0.535 7.142 6.553 1.00 0.00 H new ATOM 0 HA GLN A 38 2.416 8.169 7.496 1.00 0.00 H new ATOM 0 HB2 GLN A 38 2.090 9.708 9.195 1.00 0.00 H new ATOM 0 HB3 GLN A 38 0.391 9.425 8.874 1.00 0.00 H new ATOM 0 HG2 GLN A 38 0.811 7.365 10.602 1.00 0.00 H new ATOM 0 HG3 GLN A 38 2.084 8.430 11.164 1.00 0.00 H new ATOM 0 HE21 GLN A 38 1.481 10.517 12.119 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -0.193 10.852 12.571 1.00 0.00 H new ATOM 574 N GLN A 39 1.894 5.435 8.710 1.00 0.00 N ATOM 575 CA GLN A 39 2.545 4.279 9.382 1.00 0.00 C ATOM 576 C GLN A 39 3.309 3.448 8.350 1.00 0.00 C ATOM 577 O GLN A 39 2.732 2.769 7.524 1.00 0.00 O ATOM 578 CB GLN A 39 1.415 3.466 10.034 1.00 0.00 C ATOM 579 CG GLN A 39 0.685 2.618 8.989 1.00 0.00 C ATOM 580 CD GLN A 39 -0.782 2.460 9.400 1.00 0.00 C ATOM 581 OE1 GLN A 39 -1.651 3.121 8.868 1.00 0.00 O ATOM 582 NE2 GLN A 39 -1.095 1.603 10.332 1.00 0.00 N ATOM 0 H GLN A 39 1.115 5.207 8.092 1.00 0.00 H new ATOM 0 HA GLN A 39 3.267 4.595 10.135 1.00 0.00 H new ATOM 0 HB2 GLN A 39 1.826 2.821 10.810 1.00 0.00 H new ATOM 0 HB3 GLN A 39 0.709 4.140 10.520 1.00 0.00 H new ATOM 0 HG2 GLN A 39 0.751 3.091 8.009 1.00 0.00 H new ATOM 0 HG3 GLN A 39 1.158 1.640 8.903 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -0.366 1.047 10.779 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -2.069 1.488 10.613 1.00 0.00 H new ATOM 591 N ILE A 40 4.609 3.494 8.383 1.00 0.00 N ATOM 592 CA ILE A 40 5.384 2.694 7.394 1.00 0.00 C ATOM 593 C ILE A 40 5.300 1.223 7.786 1.00 0.00 C ATOM 594 O ILE A 40 5.983 0.766 8.682 1.00 0.00 O ATOM 595 CB ILE A 40 6.836 3.190 7.491 1.00 0.00 C ATOM 596 CG1 ILE A 40 7.011 4.457 6.650 1.00 0.00 C ATOM 597 CG2 ILE A 40 7.786 2.107 6.962 1.00 0.00 C ATOM 598 CD1 ILE A 40 6.753 5.693 7.516 1.00 0.00 C ATOM 0 H ILE A 40 5.164 4.042 9.041 1.00 0.00 H new ATOM 0 HA ILE A 40 5.003 2.802 6.378 1.00 0.00 H new ATOM 0 HB ILE A 40 7.066 3.409 8.534 1.00 0.00 H new ATOM 0 HG12 ILE A 40 8.019 4.495 6.237 1.00 0.00 H new ATOM 0 HG13 ILE A 40 6.322 4.443 5.806 1.00 0.00 H new ATOM 0 HG21 ILE A 40 8.815 2.460 7.031 1.00 0.00 H new ATOM 0 HG22 ILE A 40 7.672 1.201 7.557 1.00 0.00 H new ATOM 0 HG23 ILE A 40 7.546 1.890 5.921 1.00 0.00 H new ATOM 0 HD11 ILE A 40 6.879 6.592 6.913 1.00 0.00 H new ATOM 0 HD12 ILE A 40 5.736 5.657 7.907 1.00 0.00 H new ATOM 0 HD13 ILE A 40 7.460 5.710 8.345 1.00 0.00 H new ATOM 610 N VAL A 41 4.462 0.480 7.124 1.00 0.00 N ATOM 611 CA VAL A 41 4.330 -0.958 7.465 1.00 0.00 C ATOM 612 C VAL A 41 5.317 -1.781 6.688 1.00 0.00 C ATOM 613 O VAL A 41 5.611 -1.494 5.545 1.00 0.00 O ATOM 614 CB VAL A 41 2.950 -1.376 7.015 1.00 0.00 C ATOM 615 CG1 VAL A 41 2.744 -2.849 7.371 1.00 0.00 C ATOM 616 CG2 VAL A 41 1.910 -0.514 7.718 1.00 0.00 C ATOM 0 H VAL A 41 3.865 0.806 6.364 1.00 0.00 H new ATOM 0 HA VAL A 41 4.501 -1.105 8.531 1.00 0.00 H new ATOM 0 HB VAL A 41 2.846 -1.245 5.938 1.00 0.00 H new ATOM 0 HG11 VAL A 41 1.751 -3.165 7.052 1.00 0.00 H new ATOM 0 HG12 VAL A 41 3.497 -3.454 6.866 1.00 0.00 H new ATOM 0 HG13 VAL A 41 2.837 -2.979 8.449 1.00 0.00 H new ATOM 0 HG21 VAL A 41 0.912 -0.812 7.396 1.00 0.00 H new ATOM 0 HG22 VAL A 41 1.998 -0.645 8.797 1.00 0.00 H new ATOM 0 HG23 VAL A 41 2.075 0.533 7.465 1.00 0.00 H new ATOM 626 N PRO A 42 5.764 -2.807 7.316 1.00 0.00 N ATOM 627 CA PRO A 42 6.684 -3.710 6.645 1.00 0.00 C ATOM 628 C PRO A 42 5.970 -4.532 5.589 1.00 0.00 C ATOM 629 O PRO A 42 5.029 -5.255 5.847 1.00 0.00 O ATOM 630 CB PRO A 42 7.209 -4.585 7.743 1.00 0.00 C ATOM 631 CG PRO A 42 6.179 -4.540 8.824 1.00 0.00 C ATOM 632 CD PRO A 42 5.474 -3.218 8.695 1.00 0.00 C ATOM 0 HA PRO A 42 7.478 -3.179 6.120 1.00 0.00 H new ATOM 0 HB2 PRO A 42 7.363 -5.605 7.391 1.00 0.00 H new ATOM 0 HB3 PRO A 42 8.172 -4.224 8.105 1.00 0.00 H new ATOM 0 HG2 PRO A 42 5.475 -5.366 8.722 1.00 0.00 H new ATOM 0 HG3 PRO A 42 6.644 -4.637 9.805 1.00 0.00 H new ATOM 0 HD2 PRO A 42 4.402 -3.316 8.867 1.00 0.00 H new ATOM 0 HD3 PRO A 42 5.848 -2.492 9.417 1.00 0.00 H new ATOM 640 N ARG A 43 6.457 -4.402 4.411 1.00 0.00 N ATOM 641 CA ARG A 43 5.915 -5.138 3.223 1.00 0.00 C ATOM 642 C ARG A 43 5.154 -6.406 3.611 1.00 0.00 C ATOM 643 O ARG A 43 3.981 -6.550 3.339 1.00 0.00 O ATOM 644 CB ARG A 43 7.151 -5.525 2.400 1.00 0.00 C ATOM 645 CG ARG A 43 8.319 -5.929 3.312 1.00 0.00 C ATOM 646 CD ARG A 43 9.505 -4.989 3.078 1.00 0.00 C ATOM 647 NE ARG A 43 10.435 -5.256 4.212 1.00 0.00 N ATOM 648 CZ ARG A 43 11.483 -6.015 4.034 1.00 0.00 C ATOM 649 NH1 ARG A 43 12.580 -5.509 3.539 1.00 0.00 N ATOM 650 NH2 ARG A 43 11.435 -7.279 4.355 1.00 0.00 N ATOM 0 H ARG A 43 7.245 -3.792 4.194 1.00 0.00 H new ATOM 0 HA ARG A 43 5.205 -4.512 2.682 1.00 0.00 H new ATOM 0 HB2 ARG A 43 6.904 -6.351 1.733 1.00 0.00 H new ATOM 0 HB3 ARG A 43 7.450 -4.686 1.771 1.00 0.00 H new ATOM 0 HG2 ARG A 43 8.009 -5.886 4.356 1.00 0.00 H new ATOM 0 HG3 ARG A 43 8.613 -6.959 3.108 1.00 0.00 H new ATOM 0 HD2 ARG A 43 9.984 -5.188 2.119 1.00 0.00 H new ATOM 0 HD3 ARG A 43 9.187 -3.947 3.065 1.00 0.00 H new ATOM 0 HE ARG A 43 10.253 -4.846 5.128 1.00 0.00 H new ATOM 0 HH11 ARG A 43 12.619 -4.520 3.291 1.00 0.00 H new ATOM 0 HH12 ARG A 43 13.398 -6.102 3.400 1.00 0.00 H new ATOM 0 HH21 ARG A 43 10.579 -7.674 4.745 1.00 0.00 H new ATOM 0 HH22 ARG A 43 12.253 -7.872 4.216 1.00 0.00 H new ATOM 664 N GLU A 44 5.824 -7.333 4.219 1.00 0.00 N ATOM 665 CA GLU A 44 5.172 -8.605 4.607 1.00 0.00 C ATOM 666 C GLU A 44 3.762 -8.371 5.157 1.00 0.00 C ATOM 667 O GLU A 44 2.831 -9.067 4.804 1.00 0.00 O ATOM 668 CB GLU A 44 6.097 -9.162 5.672 1.00 0.00 C ATOM 669 CG GLU A 44 5.419 -10.337 6.380 1.00 0.00 C ATOM 670 CD GLU A 44 6.458 -11.123 7.181 1.00 0.00 C ATOM 671 OE1 GLU A 44 6.808 -10.675 8.260 1.00 0.00 O ATOM 672 OE2 GLU A 44 6.885 -12.160 6.703 1.00 0.00 O ATOM 0 H GLU A 44 6.811 -7.263 4.468 1.00 0.00 H new ATOM 0 HA GLU A 44 5.036 -9.284 3.765 1.00 0.00 H new ATOM 0 HB2 GLU A 44 7.033 -9.489 5.220 1.00 0.00 H new ATOM 0 HB3 GLU A 44 6.346 -8.384 6.394 1.00 0.00 H new ATOM 0 HG2 GLU A 44 4.635 -9.972 7.043 1.00 0.00 H new ATOM 0 HG3 GLU A 44 4.940 -10.988 5.649 1.00 0.00 H new ATOM 679 N GLN A 45 3.589 -7.407 6.014 1.00 0.00 N ATOM 680 CA GLN A 45 2.225 -7.158 6.565 1.00 0.00 C ATOM 681 C GLN A 45 1.244 -6.864 5.436 1.00 0.00 C ATOM 682 O GLN A 45 0.077 -7.182 5.526 1.00 0.00 O ATOM 683 CB GLN A 45 2.358 -5.954 7.496 1.00 0.00 C ATOM 684 CG GLN A 45 2.910 -6.410 8.847 1.00 0.00 C ATOM 685 CD GLN A 45 1.753 -6.548 9.840 1.00 0.00 C ATOM 686 OE1 GLN A 45 1.054 -5.591 10.112 1.00 0.00 O ATOM 687 NE2 GLN A 45 1.516 -7.705 10.395 1.00 0.00 N ATOM 0 H GLN A 45 4.322 -6.785 6.356 1.00 0.00 H new ATOM 0 HA GLN A 45 1.843 -8.028 7.100 1.00 0.00 H new ATOM 0 HB2 GLN A 45 3.021 -5.210 7.053 1.00 0.00 H new ATOM 0 HB3 GLN A 45 1.387 -5.476 7.631 1.00 0.00 H new ATOM 0 HG2 GLN A 45 3.429 -7.363 8.739 1.00 0.00 H new ATOM 0 HG3 GLN A 45 3.640 -5.690 9.217 1.00 0.00 H new ATOM 0 HE21 GLN A 45 2.101 -8.509 10.168 1.00 0.00 H new ATOM 0 HE22 GLN A 45 0.745 -7.805 11.056 1.00 0.00 H new ATOM 696 N TRP A 46 1.706 -6.269 4.371 1.00 0.00 N ATOM 697 CA TRP A 46 0.805 -5.974 3.238 1.00 0.00 C ATOM 698 C TRP A 46 -0.149 -7.142 3.002 1.00 0.00 C ATOM 699 O TRP A 46 -1.284 -6.969 2.604 1.00 0.00 O ATOM 700 CB TRP A 46 1.734 -5.838 2.028 1.00 0.00 C ATOM 701 CG TRP A 46 2.558 -4.588 2.110 1.00 0.00 C ATOM 702 CD1 TRP A 46 2.626 -3.750 3.172 1.00 0.00 C ATOM 703 CD2 TRP A 46 3.441 -4.029 1.093 1.00 0.00 C ATOM 704 NE1 TRP A 46 3.478 -2.702 2.861 1.00 0.00 N ATOM 705 CE2 TRP A 46 4.007 -2.832 1.591 1.00 0.00 C ATOM 706 CE3 TRP A 46 3.796 -4.439 -0.204 1.00 0.00 C ATOM 707 CZ2 TRP A 46 4.894 -2.070 0.826 1.00 0.00 C ATOM 708 CZ3 TRP A 46 4.693 -3.676 -0.973 1.00 0.00 C ATOM 709 CH2 TRP A 46 5.237 -2.492 -0.457 1.00 0.00 C ATOM 0 H TRP A 46 2.674 -5.976 4.243 1.00 0.00 H new ATOM 0 HA TRP A 46 0.204 -5.083 3.419 1.00 0.00 H new ATOM 0 HB2 TRP A 46 2.391 -6.706 1.972 1.00 0.00 H new ATOM 0 HB3 TRP A 46 1.143 -5.827 1.112 1.00 0.00 H new ATOM 0 HD1 TRP A 46 2.102 -3.878 4.108 1.00 0.00 H new ATOM 0 HE1 TRP A 46 3.689 -1.929 3.492 1.00 0.00 H new ATOM 0 HE3 TRP A 46 3.377 -5.346 -0.613 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 5.312 -1.158 1.227 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 4.964 -4.004 -1.966 1.00 0.00 H new ATOM 0 HH2 TRP A 46 5.922 -1.907 -1.053 1.00 0.00 H new ATOM 720 N ALA A 47 0.320 -8.329 3.222 1.00 0.00 N ATOM 721 CA ALA A 47 -0.523 -9.530 2.993 1.00 0.00 C ATOM 722 C ALA A 47 -1.585 -9.687 4.082 1.00 0.00 C ATOM 723 O ALA A 47 -2.576 -10.366 3.902 1.00 0.00 O ATOM 724 CB ALA A 47 0.468 -10.673 3.056 1.00 0.00 C ATOM 0 H ALA A 47 1.264 -8.524 3.555 1.00 0.00 H new ATOM 0 HA ALA A 47 -1.070 -9.479 2.052 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -0.054 -11.617 2.898 1.00 0.00 H new ATOM 0 HB2 ALA A 47 1.224 -10.542 2.281 1.00 0.00 H new ATOM 0 HB3 ALA A 47 0.949 -10.684 4.034 1.00 0.00 H new ATOM 730 N GLN A 48 -1.396 -9.058 5.204 1.00 0.00 N ATOM 731 CA GLN A 48 -2.402 -9.166 6.294 1.00 0.00 C ATOM 732 C GLN A 48 -2.787 -7.764 6.744 1.00 0.00 C ATOM 733 O GLN A 48 -3.468 -7.573 7.732 1.00 0.00 O ATOM 734 CB GLN A 48 -1.700 -9.919 7.423 1.00 0.00 C ATOM 735 CG GLN A 48 -1.684 -11.413 7.104 1.00 0.00 C ATOM 736 CD GLN A 48 -1.853 -12.213 8.398 1.00 0.00 C ATOM 737 OE1 GLN A 48 -1.519 -11.741 9.467 1.00 0.00 O ATOM 738 NE2 GLN A 48 -2.362 -13.414 8.348 1.00 0.00 N ATOM 0 H GLN A 48 -0.588 -8.473 5.415 1.00 0.00 H new ATOM 0 HA GLN A 48 -3.311 -9.682 5.983 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -0.681 -9.551 7.542 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -2.215 -9.743 8.367 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -2.486 -11.655 6.407 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -0.746 -11.682 6.617 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -2.643 -13.812 7.452 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -2.479 -13.954 9.205 1.00 0.00 H new ATOM 747 N HIS A 49 -2.336 -6.783 6.021 1.00 0.00 N ATOM 748 CA HIS A 49 -2.638 -5.383 6.381 1.00 0.00 C ATOM 749 C HIS A 49 -3.907 -4.916 5.671 1.00 0.00 C ATOM 750 O HIS A 49 -3.851 -4.214 4.682 1.00 0.00 O ATOM 751 CB HIS A 49 -1.415 -4.620 5.887 1.00 0.00 C ATOM 752 CG HIS A 49 -1.291 -3.330 6.648 1.00 0.00 C ATOM 753 ND1 HIS A 49 -0.443 -3.195 7.735 1.00 0.00 N ATOM 754 CD2 HIS A 49 -1.907 -2.112 6.500 1.00 0.00 C ATOM 755 CE1 HIS A 49 -0.572 -1.938 8.197 1.00 0.00 C ATOM 756 NE2 HIS A 49 -1.452 -1.235 7.480 1.00 0.00 N ATOM 0 H HIS A 49 -1.763 -6.898 5.185 1.00 0.00 H new ATOM 0 HA HIS A 49 -2.820 -5.237 7.446 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -0.517 -5.223 6.023 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -1.505 -4.418 4.820 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -2.634 -1.871 5.739 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -0.030 -1.545 9.045 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -1.731 -0.264 7.620 1.00 0.00 H new ATOM 764 N ILE A 50 -5.050 -5.305 6.172 1.00 0.00 N ATOM 765 CA ILE A 50 -6.328 -4.905 5.532 1.00 0.00 C ATOM 766 C ILE A 50 -6.366 -3.396 5.319 1.00 0.00 C ATOM 767 O ILE A 50 -6.116 -2.609 6.210 1.00 0.00 O ATOM 768 CB ILE A 50 -7.415 -5.318 6.518 1.00 0.00 C ATOM 769 CG1 ILE A 50 -7.433 -6.841 6.646 1.00 0.00 C ATOM 770 CG2 ILE A 50 -8.770 -4.826 6.011 1.00 0.00 C ATOM 771 CD1 ILE A 50 -7.922 -7.463 5.337 1.00 0.00 C ATOM 0 H ILE A 50 -5.149 -5.887 7.004 1.00 0.00 H new ATOM 0 HA ILE A 50 -6.456 -5.373 4.556 1.00 0.00 H new ATOM 0 HB ILE A 50 -7.213 -4.878 7.494 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -6.434 -7.207 6.883 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -8.085 -7.139 7.467 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -9.550 -5.120 6.714 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -8.752 -3.740 5.921 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -8.976 -5.267 5.036 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -7.933 -8.549 5.432 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -8.929 -7.107 5.119 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -7.253 -7.177 4.526 1.00 0.00 H new ATOM 783 N VAL A 51 -6.663 -3.011 4.120 1.00 0.00 N ATOM 784 CA VAL A 51 -6.719 -1.569 3.758 1.00 0.00 C ATOM 785 C VAL A 51 -8.160 -1.050 3.904 1.00 0.00 C ATOM 786 O VAL A 51 -9.110 -1.784 3.712 1.00 0.00 O ATOM 787 CB VAL A 51 -6.250 -1.568 2.307 1.00 0.00 C ATOM 788 CG1 VAL A 51 -6.098 -0.140 1.822 1.00 0.00 C ATOM 789 CG2 VAL A 51 -4.894 -2.279 2.220 1.00 0.00 C ATOM 0 H VAL A 51 -6.876 -3.648 3.352 1.00 0.00 H new ATOM 0 HA VAL A 51 -6.111 -0.920 4.388 1.00 0.00 H new ATOM 0 HB VAL A 51 -6.982 -2.084 1.686 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -5.763 -0.142 0.785 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -7.058 0.372 1.892 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -5.364 0.378 2.440 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -4.551 -2.283 1.185 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -4.168 -1.755 2.841 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -4.998 -3.305 2.572 1.00 0.00 H new ATOM 799 N GLN A 52 -8.336 0.191 4.290 1.00 0.00 N ATOM 800 CA GLN A 52 -9.726 0.717 4.498 1.00 0.00 C ATOM 801 C GLN A 52 -10.134 1.797 3.501 1.00 0.00 C ATOM 802 O GLN A 52 -9.326 2.560 3.011 1.00 0.00 O ATOM 803 CB GLN A 52 -9.690 1.369 5.866 1.00 0.00 C ATOM 804 CG GLN A 52 -9.596 0.299 6.956 1.00 0.00 C ATOM 805 CD GLN A 52 -8.167 0.242 7.499 1.00 0.00 C ATOM 806 OE1 GLN A 52 -7.668 1.212 8.033 1.00 0.00 O ATOM 807 NE2 GLN A 52 -7.483 -0.863 7.385 1.00 0.00 N ATOM 0 H GLN A 52 -7.586 0.859 4.469 1.00 0.00 H new ATOM 0 HA GLN A 52 -10.436 -0.102 4.383 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -8.837 2.044 5.933 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -10.586 1.972 6.014 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -10.293 0.525 7.763 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -9.881 -0.672 6.552 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -7.902 -1.678 6.937 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -6.530 -0.912 7.744 1.00 0.00 H new ATOM 816 N ASP A 53 -11.414 1.894 3.260 1.00 0.00 N ATOM 817 CA ASP A 53 -11.936 2.951 2.358 1.00 0.00 C ATOM 818 C ASP A 53 -11.416 4.296 2.820 1.00 0.00 C ATOM 819 O ASP A 53 -11.729 4.783 3.888 1.00 0.00 O ATOM 820 CB ASP A 53 -13.441 2.886 2.498 1.00 0.00 C ATOM 821 CG ASP A 53 -14.075 4.103 1.822 1.00 0.00 C ATOM 822 OD1 ASP A 53 -13.347 4.848 1.185 1.00 0.00 O ATOM 823 OD2 ASP A 53 -15.275 4.273 1.955 1.00 0.00 O ATOM 0 H ASP A 53 -12.124 1.278 3.655 1.00 0.00 H new ATOM 0 HA ASP A 53 -11.627 2.814 1.322 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -13.819 1.969 2.046 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -13.717 2.859 3.552 1.00 0.00 H new ATOM 828 N GLY A 54 -10.578 4.854 2.030 1.00 0.00 N ATOM 829 CA GLY A 54 -9.937 6.145 2.379 1.00 0.00 C ATOM 830 C GLY A 54 -8.489 5.818 2.717 1.00 0.00 C ATOM 831 O GLY A 54 -7.760 6.614 3.276 1.00 0.00 O ATOM 0 H GLY A 54 -10.295 4.468 1.129 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -9.994 6.846 1.547 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -10.439 6.613 3.226 1.00 0.00 H new ATOM 835 N ASP A 55 -8.086 4.615 2.390 1.00 0.00 N ATOM 836 CA ASP A 55 -6.700 4.165 2.693 1.00 0.00 C ATOM 837 C ASP A 55 -5.648 5.133 2.140 1.00 0.00 C ATOM 838 O ASP A 55 -5.625 5.436 0.971 1.00 0.00 O ATOM 839 CB ASP A 55 -6.564 2.814 1.999 1.00 0.00 C ATOM 840 CG ASP A 55 -5.080 2.431 1.927 1.00 0.00 C ATOM 841 OD1 ASP A 55 -4.579 1.891 2.899 1.00 0.00 O ATOM 842 OD2 ASP A 55 -4.472 2.686 0.901 1.00 0.00 O ATOM 0 H ASP A 55 -8.668 3.921 1.921 1.00 0.00 H new ATOM 0 HA ASP A 55 -6.536 4.114 3.769 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -7.122 2.053 2.545 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -6.988 2.862 0.996 1.00 0.00 H new ATOM 847 N GLN A 56 -4.747 5.571 2.963 1.00 0.00 N ATOM 848 CA GLN A 56 -3.658 6.468 2.477 1.00 0.00 C ATOM 849 C GLN A 56 -2.380 5.648 2.378 1.00 0.00 C ATOM 850 O GLN A 56 -2.175 4.731 3.136 1.00 0.00 O ATOM 851 CB GLN A 56 -3.539 7.557 3.543 1.00 0.00 C ATOM 852 CG GLN A 56 -2.177 8.245 3.440 1.00 0.00 C ATOM 853 CD GLN A 56 -2.311 9.530 2.620 1.00 0.00 C ATOM 854 OE1 GLN A 56 -3.325 10.198 2.677 1.00 0.00 O ATOM 855 NE2 GLN A 56 -1.325 9.907 1.854 1.00 0.00 N ATOM 0 H GLN A 56 -4.712 5.349 3.958 1.00 0.00 H new ATOM 0 HA GLN A 56 -3.850 6.905 1.497 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -4.336 8.290 3.416 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -3.661 7.121 4.535 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -1.798 8.475 4.436 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -1.455 7.576 2.971 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -0.474 9.347 1.806 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -1.405 10.762 1.303 1.00 0.00 H new ATOM 864 N ILE A 57 -1.531 5.935 1.439 1.00 0.00 N ATOM 865 CA ILE A 57 -0.297 5.119 1.322 1.00 0.00 C ATOM 866 C ILE A 57 0.935 5.947 0.967 1.00 0.00 C ATOM 867 O ILE A 57 0.884 6.871 0.179 1.00 0.00 O ATOM 868 CB ILE A 57 -0.582 4.158 0.183 1.00 0.00 C ATOM 869 CG1 ILE A 57 -1.641 3.144 0.599 1.00 0.00 C ATOM 870 CG2 ILE A 57 0.703 3.426 -0.196 1.00 0.00 C ATOM 871 CD1 ILE A 57 -2.053 2.349 -0.637 1.00 0.00 C ATOM 0 H ILE A 57 -1.634 6.686 0.757 1.00 0.00 H new ATOM 0 HA ILE A 57 -0.074 4.636 2.273 1.00 0.00 H new ATOM 0 HB ILE A 57 -0.951 4.723 -0.673 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -1.248 2.477 1.366 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -2.504 3.651 1.030 1.00 0.00 H new ATOM 0 HG21 ILE A 57 0.500 2.735 -1.014 1.00 0.00 H new ATOM 0 HG22 ILE A 57 1.455 4.150 -0.510 1.00 0.00 H new ATOM 0 HG23 ILE A 57 1.073 2.870 0.665 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -2.812 1.616 -0.362 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -2.459 3.027 -1.387 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -1.183 1.835 -1.046 1.00 0.00 H new ATOM 883 N LEU A 58 2.057 5.545 1.481 1.00 0.00 N ATOM 884 CA LEU A 58 3.336 6.204 1.124 1.00 0.00 C ATOM 885 C LEU A 58 4.104 5.197 0.275 1.00 0.00 C ATOM 886 O LEU A 58 3.953 4.007 0.459 1.00 0.00 O ATOM 887 CB LEU A 58 4.033 6.490 2.445 1.00 0.00 C ATOM 888 CG LEU A 58 3.991 7.991 2.731 1.00 0.00 C ATOM 889 CD1 LEU A 58 2.610 8.369 3.268 1.00 0.00 C ATOM 890 CD2 LEU A 58 5.055 8.338 3.774 1.00 0.00 C ATOM 0 H LEU A 58 2.143 4.775 2.144 1.00 0.00 H new ATOM 0 HA LEU A 58 3.235 7.134 0.564 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.546 5.942 3.251 1.00 0.00 H new ATOM 0 HB3 LEU A 58 5.066 6.146 2.405 1.00 0.00 H new ATOM 0 HG LEU A 58 4.187 8.543 1.812 1.00 0.00 H new ATOM 0 HD11 LEU A 58 2.579 9.439 3.472 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.851 8.119 2.527 1.00 0.00 H new ATOM 0 HD13 LEU A 58 2.414 7.818 4.188 1.00 0.00 H new ATOM 0 HD21 LEU A 58 5.027 9.408 3.980 1.00 0.00 H new ATOM 0 HD22 LEU A 58 4.857 7.786 4.693 1.00 0.00 H new ATOM 0 HD23 LEU A 58 6.040 8.067 3.393 1.00 0.00 H new ATOM 902 N LEU A 59 4.876 5.614 -0.683 1.00 0.00 N ATOM 903 CA LEU A 59 5.555 4.586 -1.520 1.00 0.00 C ATOM 904 C LEU A 59 7.075 4.645 -1.412 1.00 0.00 C ATOM 905 O LEU A 59 7.699 5.665 -1.633 1.00 0.00 O ATOM 906 CB LEU A 59 5.109 4.882 -2.954 1.00 0.00 C ATOM 907 CG LEU A 59 5.572 3.756 -3.888 1.00 0.00 C ATOM 908 CD1 LEU A 59 7.066 3.912 -4.175 1.00 0.00 C ATOM 909 CD2 LEU A 59 5.322 2.396 -3.227 1.00 0.00 C ATOM 0 H LEU A 59 5.065 6.588 -0.921 1.00 0.00 H new ATOM 0 HA LEU A 59 5.284 3.583 -1.189 1.00 0.00 H new ATOM 0 HB2 LEU A 59 4.024 4.977 -2.994 1.00 0.00 H new ATOM 0 HB3 LEU A 59 5.525 5.834 -3.284 1.00 0.00 H new ATOM 0 HG LEU A 59 5.011 3.812 -4.821 1.00 0.00 H new ATOM 0 HD11 LEU A 59 7.395 3.112 -4.838 1.00 0.00 H new ATOM 0 HD12 LEU A 59 7.246 4.876 -4.651 1.00 0.00 H new ATOM 0 HD13 LEU A 59 7.624 3.860 -3.240 1.00 0.00 H new ATOM 0 HD21 LEU A 59 5.653 1.601 -3.895 1.00 0.00 H new ATOM 0 HD22 LEU A 59 5.878 2.339 -2.291 1.00 0.00 H new ATOM 0 HD23 LEU A 59 4.257 2.280 -3.024 1.00 0.00 H new ATOM 921 N PHE A 60 7.668 3.525 -1.109 1.00 0.00 N ATOM 922 CA PHE A 60 9.147 3.443 -1.016 1.00 0.00 C ATOM 923 C PHE A 60 9.638 2.413 -2.038 1.00 0.00 C ATOM 924 O PHE A 60 9.284 1.253 -1.970 1.00 0.00 O ATOM 925 CB PHE A 60 9.428 2.960 0.407 1.00 0.00 C ATOM 926 CG PHE A 60 8.894 3.961 1.406 1.00 0.00 C ATOM 927 CD1 PHE A 60 9.610 5.132 1.664 1.00 0.00 C ATOM 928 CD2 PHE A 60 7.691 3.714 2.081 1.00 0.00 C ATOM 929 CE1 PHE A 60 9.128 6.059 2.596 1.00 0.00 C ATOM 930 CE2 PHE A 60 7.208 4.639 3.010 1.00 0.00 C ATOM 931 CZ PHE A 60 7.927 5.812 3.270 1.00 0.00 C ATOM 0 H PHE A 60 7.180 2.650 -0.919 1.00 0.00 H new ATOM 0 HA PHE A 60 9.647 4.390 -1.220 1.00 0.00 H new ATOM 0 HB2 PHE A 60 8.962 1.988 0.569 1.00 0.00 H new ATOM 0 HB3 PHE A 60 10.500 2.827 0.550 1.00 0.00 H new ATOM 0 HD1 PHE A 60 10.537 5.323 1.144 1.00 0.00 H new ATOM 0 HD2 PHE A 60 7.137 2.808 1.883 1.00 0.00 H new ATOM 0 HE1 PHE A 60 9.683 6.964 2.795 1.00 0.00 H new ATOM 0 HE2 PHE A 60 6.279 4.449 3.528 1.00 0.00 H new ATOM 0 HZ PHE A 60 7.555 6.526 3.990 1.00 0.00 H new ATOM 941 N GLN A 61 10.433 2.813 -2.991 1.00 0.00 N ATOM 942 CA GLN A 61 10.907 1.826 -4.004 1.00 0.00 C ATOM 943 C GLN A 61 12.299 1.308 -3.645 1.00 0.00 C ATOM 944 O GLN A 61 13.243 2.065 -3.541 1.00 0.00 O ATOM 945 CB GLN A 61 10.954 2.599 -5.323 1.00 0.00 C ATOM 946 CG GLN A 61 11.230 1.627 -6.473 1.00 0.00 C ATOM 947 CD GLN A 61 12.110 2.310 -7.522 1.00 0.00 C ATOM 948 OE1 GLN A 61 11.732 3.318 -8.086 1.00 0.00 O ATOM 949 NE2 GLN A 61 13.276 1.798 -7.809 1.00 0.00 N ATOM 0 H GLN A 61 10.772 3.767 -3.113 1.00 0.00 H new ATOM 0 HA GLN A 61 10.252 0.957 -4.058 1.00 0.00 H new ATOM 0 HB2 GLN A 61 10.009 3.116 -5.488 1.00 0.00 H new ATOM 0 HB3 GLN A 61 11.732 3.362 -5.283 1.00 0.00 H new ATOM 0 HG2 GLN A 61 11.725 0.732 -6.095 1.00 0.00 H new ATOM 0 HG3 GLN A 61 10.291 1.306 -6.924 1.00 0.00 H new ATOM 0 HE21 GLN A 61 13.592 0.952 -7.335 1.00 0.00 H new ATOM 0 HE22 GLN A 61 13.871 2.244 -8.507 1.00 0.00 H new ATOM 958 N VAL A 62 12.429 0.018 -3.485 1.00 0.00 N ATOM 959 CA VAL A 62 13.757 -0.576 -3.155 1.00 0.00 C ATOM 960 C VAL A 62 14.385 0.093 -1.931 1.00 0.00 C ATOM 961 O VAL A 62 14.162 1.252 -1.645 1.00 0.00 O ATOM 962 CB VAL A 62 14.624 -0.339 -4.388 1.00 0.00 C ATOM 963 CG1 VAL A 62 16.083 -0.654 -4.048 1.00 0.00 C ATOM 964 CG2 VAL A 62 14.153 -1.256 -5.516 1.00 0.00 C ATOM 0 H VAL A 62 11.667 -0.654 -3.569 1.00 0.00 H new ATOM 0 HA VAL A 62 13.662 -1.634 -2.910 1.00 0.00 H new ATOM 0 HB VAL A 62 14.541 0.701 -4.704 1.00 0.00 H new ATOM 0 HG11 VAL A 62 16.706 -0.486 -4.927 1.00 0.00 H new ATOM 0 HG12 VAL A 62 16.416 -0.005 -3.238 1.00 0.00 H new ATOM 0 HG13 VAL A 62 16.168 -1.695 -3.737 1.00 0.00 H new ATOM 0 HG21 VAL A 62 14.769 -1.091 -6.400 1.00 0.00 H new ATOM 0 HG22 VAL A 62 14.242 -2.296 -5.201 1.00 0.00 H new ATOM 0 HG23 VAL A 62 13.112 -1.036 -5.753 1.00 0.00 H new ATOM 974 N ILE A 63 15.200 -0.630 -1.224 1.00 0.00 N ATOM 975 CA ILE A 63 15.885 -0.049 -0.044 1.00 0.00 C ATOM 976 C ILE A 63 17.378 -0.107 -0.315 1.00 0.00 C ATOM 977 O ILE A 63 18.018 -1.123 -0.133 1.00 0.00 O ATOM 978 CB ILE A 63 15.505 -0.942 1.135 1.00 0.00 C ATOM 979 CG1 ILE A 63 14.046 -0.683 1.516 1.00 0.00 C ATOM 980 CG2 ILE A 63 16.409 -0.624 2.326 1.00 0.00 C ATOM 981 CD1 ILE A 63 13.176 -1.840 1.020 1.00 0.00 C ATOM 0 H ILE A 63 15.423 -1.607 -1.415 1.00 0.00 H new ATOM 0 HA ILE A 63 15.607 0.985 0.162 1.00 0.00 H new ATOM 0 HB ILE A 63 15.628 -1.989 0.856 1.00 0.00 H new ATOM 0 HG12 ILE A 63 13.954 -0.582 2.597 1.00 0.00 H new ATOM 0 HG13 ILE A 63 13.706 0.255 1.078 1.00 0.00 H new ATOM 0 HG21 ILE A 63 16.139 -1.261 3.168 1.00 0.00 H new ATOM 0 HG22 ILE A 63 17.448 -0.806 2.053 1.00 0.00 H new ATOM 0 HG23 ILE A 63 16.285 0.422 2.608 1.00 0.00 H new ATOM 0 HD11 ILE A 63 12.136 -1.656 1.291 1.00 0.00 H new ATOM 0 HD12 ILE A 63 13.260 -1.919 -0.064 1.00 0.00 H new ATOM 0 HD13 ILE A 63 13.511 -2.770 1.479 1.00 0.00 H new ATOM 993 N ALA A 64 17.929 0.965 -0.789 1.00 0.00 N ATOM 994 CA ALA A 64 19.370 0.964 -1.121 1.00 0.00 C ATOM 995 C ALA A 64 20.119 1.987 -0.264 1.00 0.00 C ATOM 996 O ALA A 64 19.883 3.176 -0.347 1.00 0.00 O ATOM 997 CB ALA A 64 19.397 1.344 -2.598 1.00 0.00 C ATOM 0 H ALA A 64 17.442 1.845 -0.961 1.00 0.00 H new ATOM 0 HA ALA A 64 19.857 0.008 -0.930 1.00 0.00 H new ATOM 0 HB1 ALA A 64 20.429 1.372 -2.948 1.00 0.00 H new ATOM 0 HB2 ALA A 64 18.839 0.606 -3.174 1.00 0.00 H new ATOM 0 HB3 ALA A 64 18.942 2.326 -2.729 1.00 0.00 H new ATOM 1003 N GLY A 65 21.012 1.529 0.568 1.00 0.00 N ATOM 1004 CA GLY A 65 21.770 2.467 1.439 1.00 0.00 C ATOM 1005 C GLY A 65 21.360 2.238 2.896 1.00 0.00 C ATOM 1006 O GLY A 65 20.263 1.801 3.179 1.00 0.00 O ATOM 0 H GLY A 65 21.249 0.544 0.682 1.00 0.00 H new ATOM 0 HA2 GLY A 65 22.842 2.308 1.320 1.00 0.00 H new ATOM 0 HA3 GLY A 65 21.567 3.498 1.148 1.00 0.00 H new ATOM 1010 N GLY A 66 22.231 2.526 3.823 1.00 0.00 N ATOM 1011 CA GLY A 66 21.883 2.320 5.257 1.00 0.00 C ATOM 1012 C GLY A 66 21.602 3.671 5.913 1.00 0.00 C ATOM 1013 O GLY A 66 21.607 4.662 5.203 1.00 0.00 O ATOM 1014 OXT GLY A 66 21.387 3.692 7.113 1.00 0.00 O ATOM 0 H GLY A 66 23.166 2.894 3.650 1.00 0.00 H new ATOM 0 HA2 GLY A 66 21.009 1.674 5.341 1.00 0.00 H new ATOM 0 HA3 GLY A 66 22.701 1.817 5.772 1.00 0.00 H new TER 1018 GLY A 66