USER MOD reduce.3.24.130724 H: found=0, std=0, add=264, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 264 hydrogens (2 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 HIS : no HE2:sc= 0.239 K(o=0.24,f=-1.4) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -2.2 K(o=-2.2,f=-0.26) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 HIS : no HD1:sc= -0.0456 X(o=-0.046,f=0) USER MOD Single : A 31 THR OG1 : rot 70:sc= 1.21 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.330 0.000 0.000 1.00 13.00 N ATOM 2 CA GLY A 1 2.071 0.001 -1.247 1.00 45.03 C ATOM 3 C GLY A 1 2.815 -1.299 -1.481 1.00 31.22 C ATOM 4 O GLY A 1 3.754 -1.625 -0.754 1.00 14.43 O ATOM 0 H1 GLY A 1 0.839 0.910 0.113 1.00 13.00 H new ATOM 0 H2 GLY A 1 0.632 -0.771 -0.012 1.00 13.00 H new ATOM 0 H3 GLY A 1 1.987 -0.140 0.794 1.00 13.00 H new ATOM 0 HA2 GLY A 1 1.383 0.176 -2.074 1.00 45.03 H new ATOM 0 HA3 GLY A 1 2.782 0.827 -1.243 1.00 45.03 H new ATOM 10 N ASP A 2 2.394 -2.045 -2.496 1.00 62.13 N ATOM 11 CA ASP A 2 3.027 -3.318 -2.824 1.00 11.51 C ATOM 12 C ASP A 2 3.110 -3.510 -4.335 1.00 4.30 C ATOM 13 O ASP A 2 4.192 -3.453 -4.918 1.00 45.30 O ATOM 14 CB ASP A 2 2.251 -4.475 -2.192 1.00 44.33 C ATOM 15 CG ASP A 2 2.810 -5.828 -2.584 1.00 63.41 C ATOM 16 OD1 ASP A 2 3.403 -6.500 -1.714 1.00 21.31 O ATOM 17 OD2 ASP A 2 2.654 -6.216 -3.761 1.00 22.35 O1- ATOM 0 H ASP A 2 1.617 -1.791 -3.106 1.00 62.13 H new ATOM 0 HA ASP A 2 4.040 -3.307 -2.421 1.00 11.51 H new ATOM 0 HB2 ASP A 2 2.275 -4.375 -1.107 1.00 44.33 H new ATOM 0 HB3 ASP A 2 1.205 -4.416 -2.494 1.00 44.33 H new ATOM 22 N GLU A 3 1.961 -3.738 -4.962 1.00 34.51 N ATOM 23 CA GLU A 3 1.905 -3.941 -6.405 1.00 23.42 C ATOM 24 C GLU A 3 2.034 -2.614 -7.146 1.00 45.12 C ATOM 25 O GLU A 3 2.394 -2.581 -8.323 1.00 44.51 O ATOM 26 CB GLU A 3 0.597 -4.631 -6.795 1.00 75.05 C ATOM 27 CG GLU A 3 0.409 -5.993 -6.148 1.00 1.32 C ATOM 28 CD GLU A 3 -0.894 -6.656 -6.550 1.00 41.31 C ATOM 29 OE1 GLU A 3 -1.965 -6.105 -6.221 1.00 34.24 O ATOM 30 OE2 GLU A 3 -0.842 -7.724 -7.194 1.00 34.53 O1- ATOM 0 H GLU A 3 1.056 -3.787 -4.494 1.00 34.51 H new ATOM 0 HA GLU A 3 2.742 -4.579 -6.689 1.00 23.42 H new ATOM 0 HB2 GLU A 3 -0.239 -3.989 -6.518 1.00 75.05 H new ATOM 0 HB3 GLU A 3 0.566 -4.746 -7.878 1.00 75.05 H new ATOM 0 HG2 GLU A 3 1.242 -6.640 -6.424 1.00 1.32 H new ATOM 0 HG3 GLU A 3 0.437 -5.883 -5.064 1.00 1.32 H new ATOM 37 N ARG A 4 1.738 -1.522 -6.449 1.00 34.11 N ATOM 38 CA ARG A 4 1.820 -0.192 -7.040 1.00 73.13 C ATOM 39 C ARG A 4 3.048 0.555 -6.529 1.00 13.41 C ATOM 40 O ARG A 4 3.299 1.697 -6.916 1.00 74.11 O ATOM 41 CB ARG A 4 0.555 0.608 -6.725 1.00 55.34 C ATOM 42 CG ARG A 4 0.122 0.517 -5.271 1.00 61.22 C ATOM 43 CD ARG A 4 -0.798 1.666 -4.890 1.00 73.23 C ATOM 44 NE ARG A 4 -0.168 2.966 -5.105 1.00 33.13 N ATOM 45 CZ ARG A 4 -0.812 4.122 -4.990 1.00 40.21 C ATOM 46 NH1 ARG A 4 -2.097 4.140 -4.665 1.00 31.04 N1+ ATOM 47 NH2 ARG A 4 -0.170 5.264 -5.201 1.00 2.12 N ATOM 0 H ARG A 4 1.439 -1.532 -5.474 1.00 34.11 H new ATOM 0 HA ARG A 4 1.909 -0.307 -8.120 1.00 73.13 H new ATOM 0 HB2 ARG A 4 0.724 1.654 -6.980 1.00 55.34 H new ATOM 0 HB3 ARG A 4 -0.257 0.253 -7.360 1.00 55.34 H new ATOM 0 HG2 ARG A 4 -0.389 -0.431 -5.101 1.00 61.22 H new ATOM 0 HG3 ARG A 4 1.002 0.525 -4.627 1.00 61.22 H new ATOM 0 HD2 ARG A 4 -1.715 1.606 -5.476 1.00 73.23 H new ATOM 0 HD3 ARG A 4 -1.083 1.570 -3.842 1.00 73.23 H new ATOM 0 HE ARG A 4 0.820 2.987 -5.357 1.00 33.13 H new ATOM 0 HH11 ARG A 4 -2.594 3.264 -4.502 1.00 31.04 H new ATOM 0 HH12 ARG A 4 -2.589 5.029 -4.578 1.00 31.04 H new ATOM 0 HH21 ARG A 4 0.819 5.254 -5.452 1.00 2.12 H new ATOM 0 HH22 ARG A 4 -0.665 6.151 -5.113 1.00 2.12 H new ATOM 61 N PHE A 5 3.810 -0.096 -5.656 1.00 54.04 N ATOM 62 CA PHE A 5 5.011 0.507 -5.091 1.00 61.11 C ATOM 63 C PHE A 5 6.253 -0.291 -5.476 1.00 61.45 C ATOM 64 O PHE A 5 7.365 0.237 -5.488 1.00 22.01 O ATOM 65 CB PHE A 5 4.897 0.590 -3.568 1.00 1.35 C ATOM 66 CG PHE A 5 4.271 1.866 -3.082 1.00 52.32 C ATOM 67 CD1 PHE A 5 4.883 2.623 -2.096 1.00 63.13 C ATOM 68 CD2 PHE A 5 3.069 2.309 -3.612 1.00 22.14 C ATOM 69 CE1 PHE A 5 4.310 3.798 -1.648 1.00 31.14 C ATOM 70 CE2 PHE A 5 2.491 3.483 -3.167 1.00 44.13 C ATOM 71 CZ PHE A 5 3.112 4.228 -2.183 1.00 73.23 C ATOM 0 H PHE A 5 3.617 -1.041 -5.325 1.00 54.04 H new ATOM 0 HA PHE A 5 5.107 1.514 -5.497 1.00 61.11 H new ATOM 0 HB2 PHE A 5 4.308 -0.254 -3.209 1.00 1.35 H new ATOM 0 HB3 PHE A 5 5.891 0.493 -3.131 1.00 1.35 H new ATOM 0 HD1 PHE A 5 5.819 2.291 -1.672 1.00 63.13 H new ATOM 0 HD2 PHE A 5 2.579 1.730 -4.381 1.00 22.14 H new ATOM 0 HE1 PHE A 5 4.799 4.379 -0.880 1.00 31.14 H new ATOM 0 HE2 PHE A 5 1.555 3.818 -3.588 1.00 44.13 H new ATOM 0 HZ PHE A 5 2.661 5.145 -1.833 1.00 73.23 H new ATOM 81 N TYR A 6 6.055 -1.567 -5.791 1.00 1.32 N ATOM 82 CA TYR A 6 7.158 -2.440 -6.173 1.00 5.20 C ATOM 83 C TYR A 6 7.203 -2.631 -7.686 1.00 20.11 C ATOM 84 O TYR A 6 8.211 -3.071 -8.238 1.00 2.03 O ATOM 85 CB TYR A 6 7.026 -3.797 -5.480 1.00 2.12 C ATOM 86 CG TYR A 6 6.958 -3.703 -3.972 1.00 41.23 C ATOM 87 CD1 TYR A 6 7.576 -2.660 -3.293 1.00 41.23 C ATOM 88 CD2 TYR A 6 6.277 -4.657 -3.227 1.00 31.02 C ATOM 89 CE1 TYR A 6 7.517 -2.570 -1.916 1.00 2.10 C ATOM 90 CE2 TYR A 6 6.212 -4.574 -1.849 1.00 74.35 C ATOM 91 CZ TYR A 6 6.833 -3.529 -1.199 1.00 24.23 C ATOM 92 OH TYR A 6 6.772 -3.444 0.173 1.00 31.24 O ATOM 0 H TYR A 6 5.141 -2.019 -5.789 1.00 1.32 H new ATOM 0 HA TYR A 6 8.088 -1.967 -5.857 1.00 5.20 H new ATOM 0 HB2 TYR A 6 6.129 -4.296 -5.845 1.00 2.12 H new ATOM 0 HB3 TYR A 6 7.874 -4.422 -5.759 1.00 2.12 H new ATOM 0 HD1 TYR A 6 8.112 -1.907 -3.852 1.00 41.23 H new ATOM 0 HD2 TYR A 6 5.790 -5.477 -3.733 1.00 31.02 H new ATOM 0 HE1 TYR A 6 8.004 -1.753 -1.404 1.00 2.10 H new ATOM 0 HE2 TYR A 6 5.678 -5.324 -1.285 1.00 74.35 H new ATOM 0 HH TYR A 6 6.252 -4.196 0.525 1.00 31.24 H new ATOM 102 N ALA A 7 6.102 -2.296 -8.351 1.00 20.33 N ATOM 103 CA ALA A 7 6.015 -2.428 -9.800 1.00 34.43 C ATOM 104 C ALA A 7 5.773 -1.076 -10.461 1.00 12.33 C ATOM 105 O ALA A 7 6.096 -0.881 -11.632 1.00 1.12 O ATOM 106 CB ALA A 7 4.911 -3.406 -10.175 1.00 31.22 C ATOM 0 H ALA A 7 5.258 -1.931 -7.909 1.00 20.33 H new ATOM 0 HA ALA A 7 6.967 -2.815 -10.163 1.00 34.43 H new ATOM 0 HB1 ALA A 7 4.857 -3.495 -11.260 1.00 31.22 H new ATOM 0 HB2 ALA A 7 5.127 -4.382 -9.741 1.00 31.22 H new ATOM 0 HB3 ALA A 7 3.957 -3.042 -9.793 1.00 31.22 H new ATOM 112 N GLU A 8 5.202 -0.145 -9.702 1.00 73.12 N ATOM 113 CA GLU A 8 4.915 1.189 -10.217 1.00 34.40 C ATOM 114 C GLU A 8 5.944 2.198 -9.717 1.00 13.14 C ATOM 115 O GLU A 8 6.016 3.324 -10.210 1.00 10.23 O ATOM 116 CB GLU A 8 3.509 1.628 -9.802 1.00 0.14 C ATOM 117 CG GLU A 8 2.527 1.700 -10.959 1.00 31.43 C ATOM 118 CD GLU A 8 1.994 0.337 -11.357 1.00 22.11 C ATOM 119 OE1 GLU A 8 2.700 -0.383 -12.094 1.00 41.02 O ATOM 120 OE2 GLU A 8 0.872 -0.010 -10.932 1.00 44.31 O1- ATOM 0 H GLU A 8 4.930 -0.290 -8.730 1.00 73.12 H new ATOM 0 HA GLU A 8 4.969 1.151 -11.305 1.00 34.40 H new ATOM 0 HB2 GLU A 8 3.126 0.933 -9.055 1.00 0.14 H new ATOM 0 HB3 GLU A 8 3.569 2.607 -9.326 1.00 0.14 H new ATOM 0 HG2 GLU A 8 1.693 2.346 -10.683 1.00 31.43 H new ATOM 0 HG3 GLU A 8 3.016 2.160 -11.818 1.00 31.43 H new ATOM 127 N HIS A 9 6.738 1.787 -8.733 1.00 60.33 N ATOM 128 CA HIS A 9 7.763 2.655 -8.165 1.00 23.41 C ATOM 129 C HIS A 9 9.130 1.978 -8.203 1.00 22.11 C ATOM 130 O HIS A 9 10.071 2.417 -7.540 1.00 13.21 O ATOM 131 CB HIS A 9 7.406 3.027 -6.726 1.00 14.22 C ATOM 132 CG HIS A 9 6.737 4.362 -6.601 1.00 70.50 C ATOM 133 ND1 HIS A 9 5.959 4.910 -7.599 1.00 45.01 N ATOM 134 CD2 HIS A 9 6.732 5.258 -5.587 1.00 35.44 C ATOM 135 CE1 HIS A 9 5.506 6.087 -7.205 1.00 22.53 C ATOM 136 NE2 HIS A 9 5.960 6.321 -5.987 1.00 31.25 N ATOM 0 H HIS A 9 6.691 0.859 -8.313 1.00 60.33 H new ATOM 0 HA HIS A 9 7.809 3.563 -8.766 1.00 23.41 H new ATOM 0 HB2 HIS A 9 6.750 2.261 -6.313 1.00 14.22 H new ATOM 0 HB3 HIS A 9 8.314 3.027 -6.123 1.00 14.22 H new ATOM 0 HD1 HIS A 9 5.764 4.475 -8.501 1.00 45.01 H new ATOM 0 HD2 HIS A 9 7.240 5.156 -4.640 1.00 35.44 H new ATOM 0 HE1 HIS A 9 4.872 6.745 -7.781 1.00 22.53 H new ATOM 144 N LEU A 10 9.233 0.907 -8.982 1.00 31.32 N ATOM 145 CA LEU A 10 10.485 0.168 -9.105 1.00 72.14 C ATOM 146 C LEU A 10 10.842 -0.057 -10.571 1.00 73.22 C ATOM 147 O LEU A 10 11.993 0.112 -10.973 1.00 34.02 O ATOM 148 CB LEU A 10 10.380 -1.176 -8.382 1.00 3.10 C ATOM 149 CG LEU A 10 11.679 -1.719 -7.785 1.00 32.32 C ATOM 150 CD1 LEU A 10 12.703 -1.978 -8.879 1.00 54.33 C ATOM 151 CD2 LEU A 10 12.235 -0.753 -6.749 1.00 50.01 C ATOM 0 H LEU A 10 8.465 0.531 -9.538 1.00 31.32 H new ATOM 0 HA LEU A 10 11.275 0.761 -8.644 1.00 72.14 H new ATOM 0 HB2 LEU A 10 9.648 -1.079 -7.580 1.00 3.10 H new ATOM 0 HB3 LEU A 10 9.989 -1.914 -9.083 1.00 3.10 H new ATOM 0 HG LEU A 10 11.460 -2.665 -7.290 1.00 32.32 H new ATOM 0 HD11 LEU A 10 13.620 -2.364 -8.435 1.00 54.33 H new ATOM 0 HD12 LEU A 10 12.306 -2.709 -9.584 1.00 54.33 H new ATOM 0 HD13 LEU A 10 12.918 -1.047 -9.404 1.00 54.33 H new ATOM 0 HD21 LEU A 10 13.159 -1.156 -6.335 1.00 50.01 H new ATOM 0 HD22 LEU A 10 12.437 0.209 -7.220 1.00 50.01 H new ATOM 0 HD23 LEU A 10 11.507 -0.619 -5.949 1.00 50.01 H new ATOM 163 N MET A 11 9.846 -0.438 -11.366 1.00 5.44 N ATOM 164 CA MET A 11 10.056 -0.683 -12.788 1.00 15.02 C ATOM 165 C MET A 11 10.354 0.618 -13.526 1.00 13.20 C ATOM 166 O MET A 11 11.412 0.788 -14.132 1.00 20.31 O ATOM 167 CB MET A 11 8.825 -1.358 -13.397 1.00 22.10 C ATOM 168 CG MET A 11 9.112 -2.733 -13.979 1.00 10.30 C ATOM 169 SD MET A 11 9.111 -4.031 -12.727 1.00 44.25 S ATOM 170 CE MET A 11 7.826 -5.107 -13.357 1.00 34.32 C ATOM 0 H MET A 11 8.887 -0.583 -11.050 1.00 5.44 H new ATOM 0 HA MET A 11 10.915 -1.345 -12.895 1.00 15.02 H new ATOM 0 HB2 MET A 11 8.055 -1.450 -12.631 1.00 22.10 H new ATOM 0 HB3 MET A 11 8.420 -0.718 -14.181 1.00 22.10 H new ATOM 0 HG2 MET A 11 8.365 -2.965 -14.738 1.00 10.30 H new ATOM 0 HG3 MET A 11 10.080 -2.717 -14.479 1.00 10.30 H new ATOM 0 HE1 MET A 11 7.706 -5.960 -12.689 1.00 34.32 H new ATOM 0 HE2 MET A 11 6.887 -4.557 -13.415 1.00 34.32 H new ATOM 0 HE3 MET A 11 8.102 -5.460 -14.351 1.00 34.32 H new ATOM 180 N PRO A 12 9.400 1.560 -13.476 1.00 0.11 N ATOM 181 CA PRO A 12 9.538 2.862 -14.134 1.00 43.44 C ATOM 182 C PRO A 12 10.583 3.745 -13.460 1.00 12.13 C ATOM 183 O PRO A 12 10.929 4.813 -13.966 1.00 5.02 O ATOM 184 CB PRO A 12 8.145 3.480 -13.994 1.00 51.43 C ATOM 185 CG PRO A 12 7.558 2.824 -12.793 1.00 22.42 C ATOM 186 CD PRO A 12 8.114 1.426 -12.772 1.00 55.30 C ATOM 0 HA PRO A 12 9.873 2.763 -15.166 1.00 43.44 H new ATOM 0 HB2 PRO A 12 8.203 4.561 -13.866 1.00 51.43 H new ATOM 0 HB3 PRO A 12 7.539 3.296 -14.881 1.00 51.43 H new ATOM 0 HG2 PRO A 12 7.824 3.364 -11.884 1.00 22.42 H new ATOM 0 HG3 PRO A 12 6.469 2.810 -12.848 1.00 22.42 H new ATOM 0 HD2 PRO A 12 8.249 1.063 -11.753 1.00 55.30 H new ATOM 0 HD3 PRO A 12 7.451 0.722 -13.276 1.00 55.30 H new ATOM 194 N THR A 13 11.082 3.293 -12.314 1.00 25.32 N ATOM 195 CA THR A 13 12.087 4.041 -11.570 1.00 4.33 C ATOM 196 C THR A 13 13.486 3.492 -11.828 1.00 74.22 C ATOM 197 O THR A 13 14.406 4.239 -12.162 1.00 52.40 O ATOM 198 CB THR A 13 11.807 4.007 -10.056 1.00 15.14 C ATOM 199 OG1 THR A 13 10.619 4.752 -9.761 1.00 24.54 O ATOM 200 CG2 THR A 13 12.979 4.582 -9.275 1.00 33.34 C ATOM 0 H THR A 13 10.806 2.412 -11.881 1.00 25.32 H new ATOM 0 HA THR A 13 12.034 5.072 -11.919 1.00 4.33 H new ATOM 0 HB THR A 13 11.668 2.968 -9.758 1.00 15.14 H new ATOM 0 HG1 THR A 13 10.447 4.724 -8.797 1.00 24.54 H new ATOM 0 HG21 THR A 13 12.758 4.547 -8.208 1.00 33.34 H new ATOM 0 HG22 THR A 13 13.875 3.996 -9.479 1.00 33.34 H new ATOM 0 HG23 THR A 13 13.146 5.616 -9.577 1.00 33.34 H new ATOM 208 N LEU A 14 13.639 2.181 -11.673 1.00 1.52 N ATOM 209 CA LEU A 14 14.926 1.531 -11.892 1.00 22.43 C ATOM 210 C LEU A 14 15.156 1.263 -13.376 1.00 34.23 C ATOM 211 O LEU A 14 16.296 1.162 -13.828 1.00 55.54 O ATOM 212 CB LEU A 14 14.996 0.219 -11.108 1.00 64.32 C ATOM 213 CG LEU A 14 16.313 -0.060 -10.383 1.00 21.24 C ATOM 214 CD1 LEU A 14 16.063 -0.846 -9.105 1.00 74.31 C ATOM 215 CD2 LEU A 14 17.275 -0.810 -11.293 1.00 20.14 C ATOM 0 H LEU A 14 12.888 1.548 -11.397 1.00 1.52 H new ATOM 0 HA LEU A 14 15.709 2.202 -11.538 1.00 22.43 H new ATOM 0 HB2 LEU A 14 14.192 0.215 -10.372 1.00 64.32 H new ATOM 0 HB3 LEU A 14 14.802 -0.603 -11.797 1.00 64.32 H new ATOM 0 HG LEU A 14 16.767 0.894 -10.115 1.00 21.24 H new ATOM 0 HD11 LEU A 14 17.012 -1.035 -8.603 1.00 74.31 H new ATOM 0 HD12 LEU A 14 15.412 -0.272 -8.446 1.00 74.31 H new ATOM 0 HD13 LEU A 14 15.586 -1.795 -9.349 1.00 74.31 H new ATOM 0 HD21 LEU A 14 18.207 -1.000 -10.760 1.00 20.14 H new ATOM 0 HD22 LEU A 14 16.828 -1.758 -11.592 1.00 20.14 H new ATOM 0 HD23 LEU A 14 17.480 -0.210 -12.180 1.00 20.14 H new ATOM 227 N GLN A 15 14.065 1.150 -14.127 1.00 10.31 N ATOM 228 CA GLN A 15 14.148 0.896 -15.560 1.00 42.13 C ATOM 229 C GLN A 15 13.305 1.899 -16.341 1.00 32.22 C ATOM 230 O GLN A 15 12.574 1.529 -17.259 1.00 22.01 O ATOM 231 CB GLN A 15 13.689 -0.529 -15.874 1.00 54.35 C ATOM 232 CG GLN A 15 14.618 -1.602 -15.331 1.00 1.43 C ATOM 233 CD GLN A 15 13.962 -2.456 -14.263 1.00 45.45 C ATOM 234 OE1 GLN A 15 14.073 -3.682 -14.279 1.00 1.14 O ATOM 235 NE2 GLN A 15 13.274 -1.811 -13.329 1.00 4.43 N ATOM 0 H GLN A 15 13.114 1.230 -13.767 1.00 10.31 H new ATOM 0 HA GLN A 15 15.189 1.010 -15.864 1.00 42.13 H new ATOM 0 HB2 GLN A 15 12.692 -0.680 -15.460 1.00 54.35 H new ATOM 0 HB3 GLN A 15 13.606 -0.645 -16.955 1.00 54.35 H new ATOM 0 HG2 GLN A 15 14.947 -2.241 -16.150 1.00 1.43 H new ATOM 0 HG3 GLN A 15 15.509 -1.130 -14.917 1.00 1.43 H new ATOM 0 HE21 GLN A 15 13.209 -0.793 -13.355 1.00 4.43 H new ATOM 0 HE22 GLN A 15 12.811 -2.333 -12.585 1.00 4.43 H new ATOM 244 N GLY A 16 13.411 3.171 -15.969 1.00 22.13 N ATOM 245 CA GLY A 16 12.651 4.207 -16.643 1.00 0.11 C ATOM 246 C GLY A 16 13.130 5.601 -16.289 1.00 22.10 C ATOM 247 O GLY A 16 13.108 6.504 -17.126 1.00 1.41 O ATOM 0 H GLY A 16 14.010 3.502 -15.213 1.00 22.13 H new ATOM 0 HA2 GLY A 16 12.724 4.064 -17.721 1.00 0.11 H new ATOM 0 HA3 GLY A 16 11.598 4.110 -16.380 1.00 0.11 H new ATOM 251 N LEU A 17 13.563 5.778 -15.046 1.00 22.13 N ATOM 252 CA LEU A 17 14.049 7.073 -14.582 1.00 33.04 C ATOM 253 C LEU A 17 15.520 7.262 -14.936 1.00 60.05 C ATOM 254 O LEU A 17 16.107 8.308 -14.658 1.00 45.32 O ATOM 255 CB LEU A 17 13.857 7.200 -13.069 1.00 73.43 C ATOM 256 CG LEU A 17 12.913 8.309 -12.603 1.00 73.51 C ATOM 257 CD1 LEU A 17 13.340 9.650 -13.179 1.00 34.14 C ATOM 258 CD2 LEU A 17 11.478 7.989 -12.998 1.00 23.10 C ATOM 0 H LEU A 17 13.588 5.041 -14.341 1.00 22.13 H new ATOM 0 HA LEU A 17 13.471 7.850 -15.082 1.00 33.04 H new ATOM 0 HB2 LEU A 17 13.483 6.249 -12.689 1.00 73.43 H new ATOM 0 HB3 LEU A 17 14.833 7.365 -12.612 1.00 73.43 H new ATOM 0 HG LEU A 17 12.964 8.371 -11.516 1.00 73.51 H new ATOM 0 HD11 LEU A 17 12.657 10.427 -12.837 1.00 34.14 H new ATOM 0 HD12 LEU A 17 14.351 9.884 -12.846 1.00 34.14 H new ATOM 0 HD13 LEU A 17 13.318 9.602 -14.268 1.00 34.14 H new ATOM 0 HD21 LEU A 17 10.820 8.789 -12.658 1.00 23.10 H new ATOM 0 HD22 LEU A 17 11.410 7.899 -14.082 1.00 23.10 H new ATOM 0 HD23 LEU A 17 11.175 7.049 -12.537 1.00 23.10 H new ATOM 270 N LEU A 18 16.110 6.244 -15.554 1.00 54.31 N ATOM 271 CA LEU A 18 17.513 6.299 -15.950 1.00 33.42 C ATOM 272 C LEU A 18 17.807 5.288 -17.053 1.00 73.35 C ATOM 273 O LEU A 18 18.944 4.846 -17.217 1.00 60.42 O ATOM 274 CB LEU A 18 18.414 6.030 -14.743 1.00 50.23 C ATOM 275 CG LEU A 18 17.797 5.203 -13.615 1.00 71.54 C ATOM 276 CD1 LEU A 18 17.448 3.806 -14.107 1.00 54.53 C ATOM 277 CD2 LEU A 18 18.745 5.130 -12.427 1.00 72.32 C ATOM 0 H LEU A 18 15.639 5.371 -15.791 1.00 54.31 H new ATOM 0 HA LEU A 18 17.718 7.298 -16.334 1.00 33.42 H new ATOM 0 HB2 LEU A 18 19.311 5.519 -15.092 1.00 50.23 H new ATOM 0 HB3 LEU A 18 18.732 6.988 -14.332 1.00 50.23 H new ATOM 0 HG LEU A 18 16.878 5.693 -13.292 1.00 71.54 H new ATOM 0 HD11 LEU A 18 17.010 3.232 -13.291 1.00 54.53 H new ATOM 0 HD12 LEU A 18 16.732 3.877 -14.926 1.00 54.53 H new ATOM 0 HD13 LEU A 18 18.352 3.307 -14.457 1.00 54.53 H new ATOM 0 HD21 LEU A 18 18.289 4.538 -11.634 1.00 72.32 H new ATOM 0 HD22 LEU A 18 19.681 4.664 -12.736 1.00 72.32 H new ATOM 0 HD23 LEU A 18 18.945 6.136 -12.059 1.00 72.32 H new ATOM 289 N ASP A 19 16.775 4.928 -17.809 1.00 20.20 N ATOM 290 CA ASP A 19 16.923 3.972 -18.900 1.00 42.04 C ATOM 291 C ASP A 19 17.520 4.643 -20.133 1.00 51.44 C ATOM 292 O ASP A 19 17.354 5.842 -20.359 1.00 42.31 O ATOM 293 CB ASP A 19 15.570 3.349 -19.248 1.00 64.21 C ATOM 294 CG ASP A 19 15.408 1.958 -18.668 1.00 74.30 C ATOM 295 OD1 ASP A 19 16.224 1.576 -17.803 1.00 34.02 O ATOM 296 OD2 ASP A 19 14.464 1.251 -19.079 1.00 33.14 O1- ATOM 0 H ASP A 19 15.827 5.284 -17.686 1.00 20.20 H new ATOM 0 HA ASP A 19 17.602 3.186 -18.571 1.00 42.04 H new ATOM 0 HB2 ASP A 19 14.771 3.990 -18.875 1.00 64.21 H new ATOM 0 HB3 ASP A 19 15.462 3.303 -20.332 1.00 64.21 H new ATOM 301 N PRO A 20 18.232 3.854 -20.951 1.00 4.00 N ATOM 302 CA PRO A 20 18.869 4.351 -22.175 1.00 31.35 C ATOM 303 C PRO A 20 17.852 4.713 -23.251 1.00 54.30 C ATOM 304 O PRO A 20 18.206 5.268 -24.291 1.00 2.05 O ATOM 305 CB PRO A 20 19.731 3.171 -22.630 1.00 25.14 C ATOM 306 CG PRO A 20 19.066 1.970 -22.051 1.00 25.11 C ATOM 307 CD PRO A 20 18.471 2.416 -20.744 1.00 70.21 C ATOM 0 HA PRO A 20 19.434 5.266 -21.998 1.00 31.35 H new ATOM 0 HB2 PRO A 20 19.778 3.112 -23.717 1.00 25.14 H new ATOM 0 HB3 PRO A 20 20.756 3.268 -22.271 1.00 25.14 H new ATOM 0 HG2 PRO A 20 18.295 1.590 -22.721 1.00 25.11 H new ATOM 0 HG3 PRO A 20 19.782 1.163 -21.898 1.00 25.11 H new ATOM 0 HD2 PRO A 20 17.547 1.883 -20.521 1.00 70.21 H new ATOM 0 HD3 PRO A 20 19.151 2.237 -19.911 1.00 70.21 H new ATOM 315 N GLU A 21 16.586 4.396 -22.994 1.00 43.41 N ATOM 316 CA GLU A 21 15.518 4.691 -23.942 1.00 62.20 C ATOM 317 C GLU A 21 14.404 5.491 -23.274 1.00 54.24 C ATOM 318 O GLU A 21 13.758 6.325 -23.909 1.00 51.12 O ATOM 319 CB GLU A 21 14.951 3.394 -24.525 1.00 5.44 C ATOM 320 CG GLU A 21 14.009 2.665 -23.583 1.00 34.24 C ATOM 321 CD GLU A 21 13.839 1.202 -23.944 1.00 53.15 C ATOM 322 OE1 GLU A 21 13.249 0.456 -23.135 1.00 25.13 O ATOM 323 OE2 GLU A 21 14.295 0.804 -25.036 1.00 73.34 O1- ATOM 0 H GLU A 21 16.276 3.936 -22.138 1.00 43.41 H new ATOM 0 HA GLU A 21 15.938 5.291 -24.749 1.00 62.20 H new ATOM 0 HB2 GLU A 21 14.422 3.622 -25.450 1.00 5.44 H new ATOM 0 HB3 GLU A 21 15.776 2.731 -24.785 1.00 5.44 H new ATOM 0 HG2 GLU A 21 14.389 2.742 -22.564 1.00 34.24 H new ATOM 0 HG3 GLU A 21 13.035 3.155 -23.598 1.00 34.24 H new ATOM 330 N SER A 22 14.184 5.230 -21.990 1.00 14.42 N ATOM 331 CA SER A 22 13.144 5.922 -21.236 1.00 43.34 C ATOM 332 C SER A 22 13.664 7.245 -20.682 1.00 45.23 C ATOM 333 O SER A 22 12.998 8.275 -20.777 1.00 11.32 O ATOM 334 CB SER A 22 12.641 5.040 -20.092 1.00 70.15 C ATOM 335 OG SER A 22 11.278 4.698 -20.274 1.00 32.00 O ATOM 0 H SER A 22 14.712 4.545 -21.449 1.00 14.42 H new ATOM 0 HA SER A 22 12.317 6.132 -21.914 1.00 43.34 H new ATOM 0 HB2 SER A 22 13.243 4.133 -20.036 1.00 70.15 H new ATOM 0 HB3 SER A 22 12.765 5.563 -19.144 1.00 70.15 H new ATOM 0 HG SER A 22 10.981 4.133 -19.531 1.00 32.00 H new ATOM 341 N ALA A 23 14.860 7.208 -20.104 1.00 23.33 N ATOM 342 CA ALA A 23 15.471 8.403 -19.535 1.00 25.52 C ATOM 343 C ALA A 23 16.130 9.251 -20.618 1.00 31.15 C ATOM 344 O ALA A 23 16.191 10.476 -20.509 1.00 53.10 O ATOM 345 CB ALA A 23 16.489 8.019 -18.470 1.00 51.24 C ATOM 0 H ALA A 23 15.425 6.363 -20.017 1.00 23.33 H new ATOM 0 HA ALA A 23 14.684 8.999 -19.072 1.00 25.52 H new ATOM 0 HB1 ALA A 23 16.938 8.921 -18.053 1.00 51.24 H new ATOM 0 HB2 ALA A 23 15.992 7.461 -17.676 1.00 51.24 H new ATOM 0 HB3 ALA A 23 17.267 7.400 -18.917 1.00 51.24 H new ATOM 351 N HIS A 24 16.623 8.592 -21.661 1.00 74.25 N ATOM 352 CA HIS A 24 17.278 9.286 -22.764 1.00 52.31 C ATOM 353 C HIS A 24 16.253 9.987 -23.650 1.00 53.34 C ATOM 354 O HIS A 24 16.512 11.067 -24.181 1.00 43.43 O ATOM 355 CB HIS A 24 18.101 8.303 -23.596 1.00 44.15 C ATOM 356 CG HIS A 24 18.001 8.537 -25.072 1.00 41.14 C ATOM 357 ND1 HIS A 24 18.837 9.394 -25.757 1.00 61.31 N ATOM 358 CD2 HIS A 24 17.158 8.019 -25.996 1.00 15.34 C ATOM 359 CE1 HIS A 24 18.511 9.394 -27.037 1.00 70.02 C ATOM 360 NE2 HIS A 24 17.495 8.568 -27.209 1.00 31.35 N ATOM 0 H HIS A 24 16.582 7.578 -21.766 1.00 74.25 H new ATOM 0 HA HIS A 24 17.943 10.039 -22.343 1.00 52.31 H new ATOM 0 HB2 HIS A 24 19.147 8.372 -23.296 1.00 44.15 H new ATOM 0 HB3 HIS A 24 17.772 7.288 -23.374 1.00 44.15 H new ATOM 0 HD2 HIS A 24 16.367 7.306 -25.813 1.00 15.34 H new ATOM 0 HE1 HIS A 24 18.994 9.972 -27.812 1.00 70.02 H new ATOM 0 HE2 HIS A 24 17.035 8.370 -28.098 1.00 31.35 H new ATOM 368 N ARG A 25 15.089 9.365 -23.806 1.00 54.42 N ATOM 369 CA ARG A 25 14.026 9.929 -24.630 1.00 33.30 C ATOM 370 C ARG A 25 13.409 11.153 -23.959 1.00 71.33 C ATOM 371 O ARG A 25 13.099 12.146 -24.619 1.00 61.42 O ATOM 372 CB ARG A 25 12.945 8.879 -24.893 1.00 74.10 C ATOM 373 CG ARG A 25 11.764 9.407 -25.692 1.00 3.11 C ATOM 374 CD ARG A 25 10.445 8.878 -25.152 1.00 72.22 C ATOM 375 NE ARG A 25 9.859 9.776 -24.161 1.00 2.14 N ATOM 376 CZ ARG A 25 8.571 9.774 -23.837 1.00 51.01 C ATOM 377 NH1 ARG A 25 7.738 8.925 -24.423 1.00 41.03 N1+ ATOM 378 NH2 ARG A 25 8.113 10.622 -22.925 1.00 3.11 N ATOM 0 H ARG A 25 14.858 8.471 -23.373 1.00 54.42 H new ATOM 0 HA ARG A 25 14.462 10.238 -25.580 1.00 33.30 H new ATOM 0 HB2 ARG A 25 13.389 8.039 -25.428 1.00 74.10 H new ATOM 0 HB3 ARG A 25 12.584 8.494 -23.939 1.00 74.10 H new ATOM 0 HG2 ARG A 25 11.760 10.497 -25.661 1.00 3.11 H new ATOM 0 HG3 ARG A 25 11.872 9.118 -26.737 1.00 3.11 H new ATOM 0 HD2 ARG A 25 9.745 8.741 -25.976 1.00 72.22 H new ATOM 0 HD3 ARG A 25 10.604 7.898 -24.703 1.00 72.22 H new ATOM 0 HE ARG A 25 10.473 10.442 -23.692 1.00 2.14 H new ATOM 0 HH11 ARG A 25 8.086 8.271 -25.124 1.00 41.03 H new ATOM 0 HH12 ARG A 25 6.749 8.926 -24.172 1.00 41.03 H new ATOM 0 HH21 ARG A 25 8.750 11.277 -22.472 1.00 3.11 H new ATOM 0 HH22 ARG A 25 7.124 10.619 -22.677 1.00 3.11 H new ATOM 392 N LEU A 26 13.233 11.075 -22.645 1.00 33.40 N ATOM 393 CA LEU A 26 12.653 12.176 -21.884 1.00 2.11 C ATOM 394 C LEU A 26 13.696 13.254 -21.607 1.00 12.34 C ATOM 395 O LEU A 26 13.356 14.389 -21.273 1.00 21.02 O ATOM 396 CB LEU A 26 12.072 11.661 -20.566 1.00 3.22 C ATOM 397 CG LEU A 26 10.625 12.057 -20.270 1.00 42.10 C ATOM 398 CD1 LEU A 26 10.062 11.213 -19.138 1.00 33.43 C ATOM 399 CD2 LEU A 26 10.536 13.537 -19.929 1.00 43.40 C ATOM 0 H LEU A 26 13.484 10.261 -22.084 1.00 33.40 H new ATOM 0 HA LEU A 26 11.852 12.615 -22.479 1.00 2.11 H new ATOM 0 HB2 LEU A 26 12.138 10.573 -20.564 1.00 3.22 H new ATOM 0 HB3 LEU A 26 12.700 12.020 -19.750 1.00 3.22 H new ATOM 0 HG LEU A 26 10.028 11.874 -21.164 1.00 42.10 H new ATOM 0 HD11 LEU A 26 9.032 11.509 -18.941 1.00 33.43 H new ATOM 0 HD12 LEU A 26 10.090 10.161 -19.420 1.00 33.43 H new ATOM 0 HD13 LEU A 26 10.660 11.364 -18.240 1.00 33.43 H new ATOM 0 HD21 LEU A 26 9.499 13.801 -19.721 1.00 43.40 H new ATOM 0 HD22 LEU A 26 11.146 13.745 -19.050 1.00 43.40 H new ATOM 0 HD23 LEU A 26 10.899 14.127 -20.771 1.00 43.40 H new ATOM 411 N ALA A 27 14.967 12.892 -21.749 1.00 75.02 N ATOM 412 CA ALA A 27 16.059 13.829 -21.518 1.00 53.20 C ATOM 413 C ALA A 27 16.443 14.552 -22.804 1.00 41.44 C ATOM 414 O ALA A 27 16.559 15.778 -22.829 1.00 25.34 O ATOM 415 CB ALA A 27 17.263 13.103 -20.938 1.00 45.02 C ATOM 0 H ALA A 27 15.266 11.956 -22.023 1.00 75.02 H new ATOM 0 HA ALA A 27 15.719 14.576 -20.801 1.00 53.20 H new ATOM 0 HB1 ALA A 27 18.071 13.815 -20.770 1.00 45.02 H new ATOM 0 HB2 ALA A 27 16.987 12.639 -19.991 1.00 45.02 H new ATOM 0 HB3 ALA A 27 17.595 12.334 -21.636 1.00 45.02 H new ATOM 421 N VAL A 28 16.640 13.786 -23.873 1.00 31.05 N ATOM 422 CA VAL A 28 17.013 14.354 -25.163 1.00 33.24 C ATOM 423 C VAL A 28 16.038 15.448 -25.584 1.00 30.31 C ATOM 424 O VAL A 28 16.430 16.439 -26.200 1.00 71.22 O ATOM 425 CB VAL A 28 17.060 13.273 -26.259 1.00 54.11 C ATOM 426 CG1 VAL A 28 15.686 12.649 -26.453 1.00 0.00 C ATOM 427 CG2 VAL A 28 17.576 13.860 -27.564 1.00 4.43 C ATOM 0 H VAL A 28 16.547 12.770 -23.871 1.00 31.05 H new ATOM 0 HA VAL A 28 18.008 14.784 -25.045 1.00 33.24 H new ATOM 0 HB VAL A 28 17.748 12.489 -25.942 1.00 54.11 H new ATOM 0 HG11 VAL A 28 15.739 11.888 -27.231 1.00 0.00 H new ATOM 0 HG12 VAL A 28 15.359 12.192 -25.519 1.00 0.00 H new ATOM 0 HG13 VAL A 28 14.974 13.420 -26.748 1.00 0.00 H new ATOM 0 HG21 VAL A 28 17.603 13.082 -28.327 1.00 4.43 H new ATOM 0 HG22 VAL A 28 16.915 14.664 -27.888 1.00 4.43 H new ATOM 0 HG23 VAL A 28 18.581 14.255 -27.413 1.00 4.43 H new ATOM 437 N ARG A 29 14.766 15.261 -25.247 1.00 1.22 N ATOM 438 CA ARG A 29 13.734 16.231 -25.592 1.00 0.41 C ATOM 439 C ARG A 29 13.966 17.554 -24.866 1.00 64.45 C ATOM 440 O ARG A 29 13.755 18.628 -25.429 1.00 53.01 O ATOM 441 CB ARG A 29 12.350 15.682 -25.242 1.00 31.21 C ATOM 442 CG ARG A 29 12.236 15.187 -23.809 1.00 74.13 C ATOM 443 CD ARG A 29 10.815 14.755 -23.481 1.00 30.01 C ATOM 444 NE ARG A 29 9.886 15.882 -23.484 1.00 73.44 N ATOM 445 CZ ARG A 29 8.677 15.839 -22.936 1.00 34.30 C ATOM 446 NH1 ARG A 29 8.253 14.731 -22.343 1.00 0.22 N1+ ATOM 447 NH2 ARG A 29 7.889 16.905 -22.980 1.00 13.53 N ATOM 0 H ARG A 29 14.426 14.447 -24.736 1.00 1.22 H new ATOM 0 HA ARG A 29 13.785 16.411 -26.666 1.00 0.41 H new ATOM 0 HB2 ARG A 29 11.606 16.461 -25.409 1.00 31.21 H new ATOM 0 HB3 ARG A 29 12.111 14.863 -25.921 1.00 31.21 H new ATOM 0 HG2 ARG A 29 12.917 14.349 -23.657 1.00 74.13 H new ATOM 0 HG3 ARG A 29 12.545 15.977 -23.124 1.00 74.13 H new ATOM 0 HD2 ARG A 29 10.485 14.012 -24.207 1.00 30.01 H new ATOM 0 HD3 ARG A 29 10.799 14.274 -22.503 1.00 30.01 H new ATOM 0 HE ARG A 29 10.182 16.750 -23.931 1.00 73.44 H new ATOM 0 HH11 ARG A 29 8.856 13.909 -22.307 1.00 0.22 H new ATOM 0 HH12 ARG A 29 7.324 14.701 -21.923 1.00 0.22 H new ATOM 0 HH21 ARG A 29 8.211 17.759 -23.435 1.00 13.53 H new ATOM 0 HH22 ARG A 29 6.961 16.871 -22.559 1.00 13.53 H new ATOM 461 N PHE A 30 14.403 17.467 -23.614 1.00 74.22 N ATOM 462 CA PHE A 30 14.663 18.656 -22.811 1.00 72.21 C ATOM 463 C PHE A 30 16.040 19.234 -23.125 1.00 73.32 C ATOM 464 O PHE A 30 16.283 20.427 -22.940 1.00 73.32 O ATOM 465 CB PHE A 30 14.565 18.322 -21.321 1.00 40.20 C ATOM 466 CG PHE A 30 13.225 17.778 -20.915 1.00 64.43 C ATOM 467 CD1 PHE A 30 13.117 16.875 -19.870 1.00 4.04 C ATOM 468 CD2 PHE A 30 12.074 18.168 -21.580 1.00 70.32 C ATOM 469 CE1 PHE A 30 11.886 16.372 -19.493 1.00 41.15 C ATOM 470 CE2 PHE A 30 10.840 17.669 -21.208 1.00 60.42 C ATOM 471 CZ PHE A 30 10.746 16.769 -20.164 1.00 61.25 C ATOM 0 H PHE A 30 14.584 16.586 -23.134 1.00 74.22 H new ATOM 0 HA PHE A 30 13.910 19.404 -23.059 1.00 72.21 H new ATOM 0 HB2 PHE A 30 15.335 17.593 -21.069 1.00 40.20 H new ATOM 0 HB3 PHE A 30 14.774 19.221 -20.741 1.00 40.20 H new ATOM 0 HD1 PHE A 30 14.006 16.560 -19.343 1.00 4.04 H new ATOM 0 HD2 PHE A 30 12.142 18.870 -22.398 1.00 70.32 H new ATOM 0 HE1 PHE A 30 11.816 15.670 -18.675 1.00 41.15 H new ATOM 0 HE2 PHE A 30 9.950 17.982 -21.733 1.00 60.42 H new ATOM 0 HZ PHE A 30 9.783 16.377 -19.873 1.00 61.25 H new ATOM 481 N THR A 31 16.939 18.378 -23.601 1.00 43.44 N ATOM 482 CA THR A 31 18.292 18.802 -23.940 1.00 22.34 C ATOM 483 C THR A 31 18.330 19.488 -25.300 1.00 73.44 C ATOM 484 O THR A 31 18.996 20.508 -25.474 1.00 13.13 O ATOM 485 CB THR A 31 19.268 17.610 -23.951 1.00 75.52 C ATOM 486 OG1 THR A 31 19.047 16.785 -22.801 1.00 41.04 O ATOM 487 CG2 THR A 31 20.710 18.091 -23.967 1.00 65.12 C ATOM 0 H THR A 31 16.755 17.388 -23.760 1.00 43.44 H new ATOM 0 HA THR A 31 18.603 19.510 -23.171 1.00 22.34 H new ATOM 0 HB THR A 31 19.086 17.029 -24.855 1.00 75.52 H new ATOM 0 HG1 THR A 31 18.185 16.326 -22.888 1.00 41.04 H new ATOM 0 HG21 THR A 31 21.380 17.231 -23.975 1.00 65.12 H new ATOM 0 HG22 THR A 31 20.883 18.694 -24.859 1.00 65.12 H new ATOM 0 HG23 THR A 31 20.902 18.693 -23.079 1.00 65.12 H new ATOM 495 N SER A 32 17.610 18.921 -26.264 1.00 30.14 N ATOM 496 CA SER A 32 17.563 19.477 -27.611 1.00 14.54 C ATOM 497 C SER A 32 16.246 20.211 -27.849 1.00 43.03 C ATOM 498 O SER A 32 15.772 20.308 -28.982 1.00 64.21 O ATOM 499 CB SER A 32 17.737 18.368 -28.650 1.00 3.51 C ATOM 500 OG SER A 32 18.661 18.751 -29.654 1.00 1.41 O ATOM 0 H SER A 32 17.052 18.077 -26.137 1.00 30.14 H new ATOM 0 HA SER A 32 18.381 20.191 -27.712 1.00 14.54 H new ATOM 0 HB2 SER A 32 18.083 17.458 -28.161 1.00 3.51 H new ATOM 0 HB3 SER A 32 16.774 18.138 -29.106 1.00 3.51 H new ATOM 0 HG SER A 32 18.756 18.025 -30.305 1.00 1.41 H new ATOM 506 N LEU A 33 15.660 20.726 -26.774 1.00 43.42 N ATOM 507 CA LEU A 33 14.398 21.452 -26.865 1.00 1.22 C ATOM 508 C LEU A 33 14.599 22.815 -27.520 1.00 63.34 C ATOM 509 O LEU A 33 13.636 23.511 -27.837 1.00 12.01 O ATOM 510 CB LEU A 33 13.787 21.628 -25.473 1.00 45.34 C ATOM 511 CG LEU A 33 14.107 22.943 -24.762 1.00 1.25 C ATOM 512 CD1 LEU A 33 13.364 23.028 -23.437 1.00 71.24 C ATOM 513 CD2 LEU A 33 15.607 23.081 -24.543 1.00 72.32 C ATOM 0 H LEU A 33 16.038 20.654 -25.829 1.00 43.42 H new ATOM 0 HA LEU A 33 13.716 20.869 -27.484 1.00 1.22 H new ATOM 0 HB2 LEU A 33 12.704 21.539 -25.559 1.00 45.34 H new ATOM 0 HB3 LEU A 33 14.125 20.806 -24.843 1.00 45.34 H new ATOM 0 HG LEU A 33 13.775 23.766 -25.396 1.00 1.25 H new ATOM 0 HD11 LEU A 33 13.604 23.971 -22.945 1.00 71.24 H new ATOM 0 HD12 LEU A 33 12.290 22.976 -23.618 1.00 71.24 H new ATOM 0 HD13 LEU A 33 13.665 22.198 -22.797 1.00 71.24 H new ATOM 0 HD21 LEU A 33 15.816 24.023 -24.036 1.00 72.32 H new ATOM 0 HD22 LEU A 33 15.963 22.253 -23.931 1.00 72.32 H new ATOM 0 HD23 LEU A 33 16.118 23.066 -25.506 1.00 72.32 H new ATOM 525 N GLY A 34 15.859 23.188 -27.723 1.00 43.03 N ATOM 526 CA GLY A 34 16.164 24.464 -28.343 1.00 42.31 C ATOM 527 C GLY A 34 17.628 24.593 -28.717 1.00 34.42 C ATOM 528 O GLY A 34 18.118 25.695 -28.961 1.00 24.30 O ATOM 0 H GLY A 34 16.674 22.629 -27.469 1.00 43.03 H new ATOM 0 HA2 GLY A 34 15.552 24.585 -29.237 1.00 42.31 H new ATOM 0 HA3 GLY A 34 15.894 25.270 -27.660 1.00 42.31 H new HETATM 532 N NH2 A 35 18.332 23.587 -28.777 1.00 0.00 N TER 535 NH2 A 35