USER MOD reduce.3.24.130724 H: found=0, std=0, add=563, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 560 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 53 HIS : no HE2:sc= 0.675 K(o=1.1,f=-4.3!) USER MOD Set 1.2: A 56 GLN : amide:sc= 0.605 K(o=1.1,f=-1.4) USER MOD Set 1.3: A 57 MET CE :methyl -175:sc= -0.181 (180deg=-0.226) USER MOD Set 2.1: A 12 GLN : amide:sc= 1.17 K(o=1.5,f=-0.15) USER MOD Set 2.2: A 40 ASN : amide:sc= 0.295 K(o=1.5,f=0.87) USER MOD Set 3.1: A 20 GLN : amide:sc= 1.67 K(o=2.4,f=-0.46) USER MOD Set 3.2: A 63 GLN : amide:sc= 0.774 K(o=2.4,f=0.68) USER MOD Set 4.1: A 16 GLN : amide:sc= 1.02 K(o=1.9,f=0) USER MOD Set 4.2: A 68 GLN : amide:sc= 0.887 K(o=1.9,f=-0.6) USER MOD Set 5.1: A 14 GLN : amide:sc= 1.52 K(o=2.2,f=0.089) USER MOD Set 5.2: A 17 GLN : amide:sc= 0.696 K(o=2.2,f=0.089) USER MOD Single : A 1 GLY N :NH3+ -123:sc= 0.068 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HE2:sc= 1.79 K(o=1.8,f=-7.7!) USER MOD Single : A 4 MET CE :methyl -178:sc= 0 (180deg=-0.0136) USER MOD Single : A 11 ASN : amide:sc=-0.00543 X(o=-0.0054,f=-0.0054) USER MOD Single : A 18 MET CE :methyl -112:sc= 0 (180deg=-0.0835) USER MOD Single : A 23 GLN : amide:sc= 0.382 K(o=0.38,f=-1.7!) USER MOD Single : A 24 GLN : amide:sc= 0.771 K(o=0.77,f=0) USER MOD Single : A 25 ASN : amide:sc= -0.014 X(o=-0.014,f=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=-0.0055) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 GLN : amide:sc= -0.0464 X(o=-0.046,f=-0.068) USER MOD Single : A 46 GLN : amide:sc= 0.56 K(o=0.56,f=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 50 HIS : no HD1:sc= -0.124 X(o=-0.12,f=-0.12) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=-0.0083) USER MOD Single : A 59 ASN : amide:sc= 1.04 K(o=1,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 8.136 -18.005 3.275 1.00 10.00 N ATOM 2 CA GLY A 1 8.996 -16.940 2.712 1.00 10.00 C ATOM 3 C GLY A 1 10.466 -17.335 2.708 1.00 10.00 C ATOM 4 O GLY A 1 10.800 -18.510 2.880 1.00 10.00 O ATOM 0 H1 GLY A 1 7.414 -18.274 2.576 1.00 10.00 H new ATOM 0 H2 GLY A 1 8.718 -18.834 3.508 1.00 10.00 H new ATOM 0 H3 GLY A 1 7.670 -17.656 4.137 1.00 10.00 H new ATOM 0 HA2 GLY A 1 8.678 -16.718 1.693 1.00 10.00 H new ATOM 0 HA3 GLY A 1 8.868 -16.026 3.292 1.00 10.00 H new ATOM 10 N SER A 2 11.358 -16.359 2.514 1.00 10.00 N ATOM 11 CA SER A 2 12.810 -16.561 2.367 1.00 10.00 C ATOM 12 C SER A 2 13.655 -15.466 3.041 1.00 10.00 C ATOM 13 O SER A 2 14.743 -15.760 3.545 1.00 10.00 O ATOM 14 CB SER A 2 13.137 -16.622 0.865 1.00 10.00 C ATOM 15 OG SER A 2 14.485 -17.002 0.627 1.00 10.00 O ATOM 0 H SER A 2 11.086 -15.378 2.453 1.00 10.00 H new ATOM 0 HA SER A 2 13.068 -17.492 2.872 1.00 10.00 H new ATOM 0 HB2 SER A 2 12.469 -17.332 0.377 1.00 10.00 H new ATOM 0 HB3 SER A 2 12.950 -15.647 0.414 1.00 10.00 H new ATOM 0 HG SER A 2 14.651 -17.030 -0.338 1.00 10.00 H new ATOM 21 N HIS A 3 13.160 -14.221 3.109 1.00 10.00 N ATOM 22 CA HIS A 3 13.899 -13.078 3.674 1.00 10.00 C ATOM 23 C HIS A 3 13.051 -11.959 4.314 1.00 10.00 C ATOM 24 O HIS A 3 13.582 -11.235 5.160 1.00 10.00 O ATOM 25 CB HIS A 3 14.840 -12.490 2.604 1.00 10.00 C ATOM 26 CG HIS A 3 14.193 -11.751 1.451 1.00 10.00 C ATOM 27 ND1 HIS A 3 12.999 -12.041 0.826 1.00 10.00 N ATOM 28 CD2 HIS A 3 14.742 -10.691 0.778 1.00 10.00 C ATOM 29 CE1 HIS A 3 12.842 -11.188 -0.198 1.00 10.00 C ATOM 30 NE2 HIS A 3 13.877 -10.336 -0.267 1.00 10.00 N ATOM 0 H HIS A 3 12.229 -13.976 2.772 1.00 10.00 H new ATOM 0 HA HIS A 3 14.456 -13.497 4.512 1.00 10.00 H new ATOM 0 HB2 HIS A 3 15.531 -11.808 3.099 1.00 10.00 H new ATOM 0 HB3 HIS A 3 15.436 -13.305 2.193 1.00 10.00 H new ATOM 0 HD1 HIS A 3 12.347 -12.777 1.096 1.00 10.00 H new ATOM 0 HD2 HIS A 3 15.681 -10.211 1.012 1.00 10.00 H new ATOM 0 HE1 HIS A 3 11.999 -11.187 -0.873 1.00 10.00 H new ATOM 38 N MET A 4 11.762 -11.803 3.972 1.00 10.00 N ATOM 39 CA MET A 4 10.897 -10.730 4.508 1.00 10.00 C ATOM 40 C MET A 4 9.434 -11.188 4.683 1.00 10.00 C ATOM 41 O MET A 4 8.972 -12.045 3.927 1.00 10.00 O ATOM 42 CB MET A 4 10.926 -9.503 3.569 1.00 10.00 C ATOM 43 CG MET A 4 12.307 -8.849 3.438 1.00 10.00 C ATOM 44 SD MET A 4 12.321 -7.208 2.655 1.00 10.00 S ATOM 45 CE MET A 4 11.601 -7.583 1.033 1.00 10.00 C ATOM 0 H MET A 4 11.285 -12.418 3.313 1.00 10.00 H new ATOM 0 HA MET A 4 11.292 -10.468 5.490 1.00 10.00 H new ATOM 0 HB2 MET A 4 10.584 -9.808 2.580 1.00 10.00 H new ATOM 0 HB3 MET A 4 10.217 -8.761 3.936 1.00 10.00 H new ATOM 0 HG2 MET A 4 12.745 -8.762 4.432 1.00 10.00 H new ATOM 0 HG3 MET A 4 12.952 -9.513 2.862 1.00 10.00 H new ATOM 0 HE1 MET A 4 11.579 -6.677 0.427 1.00 10.00 H new ATOM 0 HE2 MET A 4 12.205 -8.340 0.533 1.00 10.00 H new ATOM 0 HE3 MET A 4 10.586 -7.957 1.163 1.00 10.00 H new ATOM 55 N PRO A 5 8.656 -10.590 5.613 1.00 10.00 N ATOM 56 CA PRO A 5 7.237 -10.919 5.813 1.00 10.00 C ATOM 57 C PRO A 5 6.302 -10.387 4.706 1.00 10.00 C ATOM 58 O PRO A 5 5.117 -10.727 4.686 1.00 10.00 O ATOM 59 CB PRO A 5 6.885 -10.330 7.183 1.00 10.00 C ATOM 60 CG PRO A 5 7.804 -9.117 7.286 1.00 10.00 C ATOM 61 CD PRO A 5 9.080 -9.596 6.594 1.00 10.00 C ATOM 0 HA PRO A 5 7.090 -11.998 5.767 1.00 10.00 H new ATOM 0 HB2 PRO A 5 5.834 -10.046 7.241 1.00 10.00 H new ATOM 0 HB3 PRO A 5 7.067 -11.043 7.987 1.00 10.00 H new ATOM 0 HG2 PRO A 5 7.379 -8.245 6.790 1.00 10.00 H new ATOM 0 HG3 PRO A 5 7.988 -8.836 8.323 1.00 10.00 H new ATOM 0 HD2 PRO A 5 9.597 -8.767 6.111 1.00 10.00 H new ATOM 0 HD3 PRO A 5 9.775 -10.029 7.313 1.00 10.00 H new ATOM 69 N LEU A 6 6.820 -9.568 3.778 1.00 10.00 N ATOM 70 CA LEU A 6 6.082 -8.926 2.678 1.00 10.00 C ATOM 71 C LEU A 6 6.765 -9.111 1.305 1.00 10.00 C ATOM 72 O LEU A 6 6.477 -8.380 0.360 1.00 10.00 O ATOM 73 CB LEU A 6 5.865 -7.437 3.023 1.00 10.00 C ATOM 74 CG LEU A 6 4.876 -7.146 4.165 1.00 10.00 C ATOM 75 CD1 LEU A 6 4.816 -5.635 4.394 1.00 10.00 C ATOM 76 CD2 LEU A 6 3.461 -7.626 3.837 1.00 10.00 C ATOM 0 H LEU A 6 7.810 -9.324 3.773 1.00 10.00 H new ATOM 0 HA LEU A 6 5.115 -9.418 2.579 1.00 10.00 H new ATOM 0 HB2 LEU A 6 6.829 -7.001 3.284 1.00 10.00 H new ATOM 0 HB3 LEU A 6 5.515 -6.924 2.127 1.00 10.00 H new ATOM 0 HG LEU A 6 5.228 -7.677 5.049 1.00 10.00 H new ATOM 0 HD11 LEU A 6 4.118 -5.417 5.202 1.00 10.00 H new ATOM 0 HD12 LEU A 6 5.807 -5.268 4.662 1.00 10.00 H new ATOM 0 HD13 LEU A 6 4.481 -5.142 3.482 1.00 10.00 H new ATOM 0 HD21 LEU A 6 2.797 -7.400 4.672 1.00 10.00 H new ATOM 0 HD22 LEU A 6 3.103 -7.119 2.941 1.00 10.00 H new ATOM 0 HD23 LEU A 6 3.473 -8.702 3.664 1.00 10.00 H new ATOM 88 N GLU A 7 7.649 -10.102 1.155 1.00 10.00 N ATOM 89 CA GLU A 7 8.290 -10.454 -0.130 1.00 10.00 C ATOM 90 C GLU A 7 7.317 -10.826 -1.266 1.00 10.00 C ATOM 91 O GLU A 7 7.716 -10.827 -2.429 1.00 10.00 O ATOM 92 CB GLU A 7 9.342 -11.551 0.089 1.00 10.00 C ATOM 93 CG GLU A 7 8.775 -12.881 0.597 1.00 10.00 C ATOM 94 CD GLU A 7 9.900 -13.893 0.858 1.00 10.00 C ATOM 95 OE1 GLU A 7 10.817 -13.615 1.671 1.00 10.00 O ATOM 96 OE2 GLU A 7 9.868 -14.995 0.266 1.00 10.00 O ATOM 0 H GLU A 7 7.948 -10.695 1.929 1.00 10.00 H new ATOM 0 HA GLU A 7 8.773 -9.541 -0.479 1.00 10.00 H new ATOM 0 HB2 GLU A 7 9.865 -11.728 -0.851 1.00 10.00 H new ATOM 0 HB3 GLU A 7 10.083 -11.190 0.803 1.00 10.00 H new ATOM 0 HG2 GLU A 7 8.211 -12.714 1.515 1.00 10.00 H new ATOM 0 HG3 GLU A 7 8.078 -13.287 -0.136 1.00 10.00 H new ATOM 103 N PHE A 8 6.029 -11.058 -0.985 1.00 10.00 N ATOM 104 CA PHE A 8 4.992 -11.145 -2.022 1.00 10.00 C ATOM 105 C PHE A 8 4.798 -9.826 -2.809 1.00 10.00 C ATOM 106 O PHE A 8 4.271 -9.857 -3.921 1.00 10.00 O ATOM 107 CB PHE A 8 3.686 -11.665 -1.394 1.00 10.00 C ATOM 108 CG PHE A 8 2.590 -12.073 -2.371 1.00 10.00 C ATOM 109 CD1 PHE A 8 2.878 -12.895 -3.481 1.00 10.00 C ATOM 110 CD2 PHE A 8 1.256 -11.681 -2.137 1.00 10.00 C ATOM 111 CE1 PHE A 8 1.853 -13.293 -4.359 1.00 10.00 C ATOM 112 CE2 PHE A 8 0.230 -12.084 -3.011 1.00 10.00 C ATOM 113 CZ PHE A 8 0.528 -12.885 -4.126 1.00 10.00 C ATOM 0 H PHE A 8 5.677 -11.190 -0.037 1.00 10.00 H new ATOM 0 HA PHE A 8 5.325 -11.859 -2.775 1.00 10.00 H new ATOM 0 HB2 PHE A 8 3.925 -12.524 -0.767 1.00 10.00 H new ATOM 0 HB3 PHE A 8 3.289 -10.891 -0.737 1.00 10.00 H new ATOM 0 HD1 PHE A 8 3.892 -13.221 -3.658 1.00 10.00 H new ATOM 0 HD2 PHE A 8 1.020 -11.067 -1.281 1.00 10.00 H new ATOM 0 HE1 PHE A 8 2.084 -13.913 -5.213 1.00 10.00 H new ATOM 0 HE2 PHE A 8 -0.789 -11.777 -2.825 1.00 10.00 H new ATOM 0 HZ PHE A 8 -0.258 -13.186 -4.802 1.00 10.00 H new ATOM 123 N LEU A 9 5.291 -8.681 -2.305 1.00 10.00 N ATOM 124 CA LEU A 9 5.432 -7.429 -3.070 1.00 10.00 C ATOM 125 C LEU A 9 6.377 -7.594 -4.267 1.00 10.00 C ATOM 126 O LEU A 9 6.047 -7.166 -5.371 1.00 10.00 O ATOM 127 CB LEU A 9 5.981 -6.308 -2.163 1.00 10.00 C ATOM 128 CG LEU A 9 4.956 -5.716 -1.181 1.00 10.00 C ATOM 129 CD1 LEU A 9 5.671 -4.897 -0.109 1.00 10.00 C ATOM 130 CD2 LEU A 9 3.976 -4.780 -1.896 1.00 10.00 C ATOM 0 H LEU A 9 5.608 -8.598 -1.339 1.00 10.00 H new ATOM 0 HA LEU A 9 4.440 -7.168 -3.440 1.00 10.00 H new ATOM 0 HB2 LEU A 9 6.824 -6.700 -1.594 1.00 10.00 H new ATOM 0 HB3 LEU A 9 6.366 -5.506 -2.793 1.00 10.00 H new ATOM 0 HG LEU A 9 4.413 -6.552 -0.739 1.00 10.00 H new ATOM 0 HD11 LEU A 9 4.937 -4.482 0.582 1.00 10.00 H new ATOM 0 HD12 LEU A 9 6.362 -5.538 0.438 1.00 10.00 H new ATOM 0 HD13 LEU A 9 6.225 -4.085 -0.580 1.00 10.00 H new ATOM 0 HD21 LEU A 9 3.265 -4.378 -1.175 1.00 10.00 H new ATOM 0 HD22 LEU A 9 4.527 -3.960 -2.358 1.00 10.00 H new ATOM 0 HD23 LEU A 9 3.439 -5.335 -2.665 1.00 10.00 H new ATOM 142 N ARG A 10 7.528 -8.256 -4.069 1.00 10.00 N ATOM 143 CA ARG A 10 8.563 -8.468 -5.099 1.00 10.00 C ATOM 144 C ARG A 10 8.066 -9.260 -6.319 1.00 10.00 C ATOM 145 O ARG A 10 8.648 -9.151 -7.399 1.00 10.00 O ATOM 146 CB ARG A 10 9.799 -9.145 -4.474 1.00 10.00 C ATOM 147 CG ARG A 10 10.581 -8.237 -3.507 1.00 10.00 C ATOM 148 CD ARG A 10 11.898 -8.899 -3.074 1.00 10.00 C ATOM 149 NE ARG A 10 12.902 -8.885 -4.159 1.00 10.00 N ATOM 150 CZ ARG A 10 14.205 -9.076 -4.047 1.00 10.00 C ATOM 151 NH1 ARG A 10 14.789 -9.341 -2.914 1.00 10.00 N ATOM 152 NH2 ARG A 10 14.964 -9.011 -5.104 1.00 10.00 N ATOM 0 H ARG A 10 7.772 -8.669 -3.169 1.00 10.00 H new ATOM 0 HA ARG A 10 8.834 -7.482 -5.476 1.00 10.00 H new ATOM 0 HB2 ARG A 10 9.480 -10.040 -3.940 1.00 10.00 H new ATOM 0 HB3 ARG A 10 10.466 -9.470 -5.272 1.00 10.00 H new ATOM 0 HG2 ARG A 10 10.791 -7.282 -3.989 1.00 10.00 H new ATOM 0 HG3 ARG A 10 9.971 -8.024 -2.629 1.00 10.00 H new ATOM 0 HD2 ARG A 10 12.297 -8.379 -2.203 1.00 10.00 H new ATOM 0 HD3 ARG A 10 11.705 -9.928 -2.771 1.00 10.00 H new ATOM 0 HE ARG A 10 12.550 -8.708 -5.100 1.00 10.00 H new ATOM 0 HH11 ARG A 10 14.237 -9.410 -2.059 1.00 10.00 H new ATOM 0 HH12 ARG A 10 15.799 -9.480 -2.881 1.00 10.00 H new ATOM 0 HH21 ARG A 10 14.552 -8.813 -6.016 1.00 10.00 H new ATOM 0 HH22 ARG A 10 15.970 -9.158 -5.019 1.00 10.00 H new ATOM 166 N ASN A 11 6.987 -10.032 -6.164 1.00 10.00 N ATOM 167 CA ASN A 11 6.321 -10.768 -7.244 1.00 10.00 C ATOM 168 C ASN A 11 5.406 -9.887 -8.131 1.00 10.00 C ATOM 169 O ASN A 11 5.082 -10.280 -9.255 1.00 10.00 O ATOM 170 CB ASN A 11 5.525 -11.915 -6.595 1.00 10.00 C ATOM 171 CG ASN A 11 4.944 -12.876 -7.622 1.00 10.00 C ATOM 172 OD1 ASN A 11 5.659 -13.568 -8.336 1.00 10.00 O ATOM 173 ND2 ASN A 11 3.636 -12.961 -7.728 1.00 10.00 N ATOM 0 H ASN A 11 6.539 -10.167 -5.258 1.00 10.00 H new ATOM 0 HA ASN A 11 7.082 -11.147 -7.926 1.00 10.00 H new ATOM 0 HB2 ASN A 11 6.176 -12.465 -5.915 1.00 10.00 H new ATOM 0 HB3 ASN A 11 4.717 -11.498 -5.995 1.00 10.00 H new ATOM 0 HD21 ASN A 11 3.220 -13.602 -8.403 1.00 10.00 H new ATOM 0 HD22 ASN A 11 3.038 -12.386 -7.135 1.00 10.00 H new ATOM 180 N GLN A 12 4.962 -8.719 -7.649 1.00 10.00 N ATOM 181 CA GLN A 12 3.989 -7.865 -8.347 1.00 10.00 C ATOM 182 C GLN A 12 4.635 -7.028 -9.476 1.00 10.00 C ATOM 183 O GLN A 12 5.827 -6.715 -9.403 1.00 10.00 O ATOM 184 CB GLN A 12 3.282 -6.936 -7.338 1.00 10.00 C ATOM 185 CG GLN A 12 2.689 -7.642 -6.107 1.00 10.00 C ATOM 186 CD GLN A 12 1.842 -8.875 -6.426 1.00 10.00 C ATOM 187 OE1 GLN A 12 1.018 -8.892 -7.331 1.00 10.00 O ATOM 188 NE2 GLN A 12 2.012 -9.954 -5.693 1.00 10.00 N ATOM 0 H GLN A 12 5.270 -8.336 -6.755 1.00 10.00 H new ATOM 0 HA GLN A 12 3.259 -8.526 -8.815 1.00 10.00 H new ATOM 0 HB2 GLN A 12 3.995 -6.184 -6.998 1.00 10.00 H new ATOM 0 HB3 GLN A 12 2.482 -6.406 -7.854 1.00 10.00 H new ATOM 0 HG2 GLN A 12 3.504 -7.938 -5.447 1.00 10.00 H new ATOM 0 HG3 GLN A 12 2.076 -6.929 -5.556 1.00 10.00 H new ATOM 0 HE21 GLN A 12 2.695 -9.954 -4.936 1.00 10.00 H new ATOM 0 HE22 GLN A 12 1.461 -10.791 -5.882 1.00 10.00 H new ATOM 197 N PRO A 13 3.867 -6.593 -10.498 1.00 10.00 N ATOM 198 CA PRO A 13 4.375 -5.757 -11.587 1.00 10.00 C ATOM 199 C PRO A 13 4.512 -4.258 -11.246 1.00 10.00 C ATOM 200 O PRO A 13 5.006 -3.497 -12.080 1.00 10.00 O ATOM 201 CB PRO A 13 3.376 -5.977 -12.728 1.00 10.00 C ATOM 202 CG PRO A 13 2.055 -6.311 -12.058 1.00 10.00 C ATOM 203 CD PRO A 13 2.467 -6.931 -10.732 1.00 10.00 C ATOM 0 HA PRO A 13 5.397 -6.045 -11.834 1.00 10.00 H new ATOM 0 HB2 PRO A 13 3.286 -5.085 -13.347 1.00 10.00 H new ATOM 0 HB3 PRO A 13 3.700 -6.787 -13.381 1.00 10.00 H new ATOM 0 HG2 PRO A 13 1.445 -5.420 -11.910 1.00 10.00 H new ATOM 0 HG3 PRO A 13 1.466 -7.005 -12.658 1.00 10.00 H new ATOM 0 HD2 PRO A 13 1.842 -6.553 -9.923 1.00 10.00 H new ATOM 0 HD3 PRO A 13 2.334 -8.013 -10.758 1.00 10.00 H new ATOM 211 N GLN A 14 4.053 -3.801 -10.069 1.00 10.00 N ATOM 212 CA GLN A 14 3.871 -2.368 -9.750 1.00 10.00 C ATOM 213 C GLN A 14 4.361 -1.930 -8.357 1.00 10.00 C ATOM 214 O GLN A 14 4.205 -0.759 -8.006 1.00 10.00 O ATOM 215 CB GLN A 14 2.383 -1.996 -9.950 1.00 10.00 C ATOM 216 CG GLN A 14 1.926 -1.964 -11.419 1.00 10.00 C ATOM 217 CD GLN A 14 2.577 -0.824 -12.205 1.00 10.00 C ATOM 218 OE1 GLN A 14 2.101 0.304 -12.228 1.00 10.00 O ATOM 219 NE2 GLN A 14 3.694 -1.060 -12.857 1.00 10.00 N ATOM 0 H GLN A 14 3.794 -4.420 -9.301 1.00 10.00 H new ATOM 0 HA GLN A 14 4.513 -1.821 -10.440 1.00 10.00 H new ATOM 0 HB2 GLN A 14 1.766 -2.712 -9.406 1.00 10.00 H new ATOM 0 HB3 GLN A 14 2.203 -1.017 -9.505 1.00 10.00 H new ATOM 0 HG2 GLN A 14 2.169 -2.915 -11.894 1.00 10.00 H new ATOM 0 HG3 GLN A 14 0.842 -1.856 -11.458 1.00 10.00 H new ATOM 0 HE21 GLN A 14 4.103 -1.995 -12.847 1.00 10.00 H new ATOM 0 HE22 GLN A 14 4.152 -0.309 -13.373 1.00 10.00 H new ATOM 228 N PHE A 15 4.999 -2.801 -7.562 1.00 10.00 N ATOM 229 CA PHE A 15 5.520 -2.434 -6.224 1.00 10.00 C ATOM 230 C PHE A 15 6.646 -1.383 -6.287 1.00 10.00 C ATOM 231 O PHE A 15 6.903 -0.658 -5.324 1.00 10.00 O ATOM 232 CB PHE A 15 5.972 -3.688 -5.455 1.00 10.00 C ATOM 233 CG PHE A 15 7.367 -4.196 -5.786 1.00 10.00 C ATOM 234 CD1 PHE A 15 7.597 -4.956 -6.949 1.00 10.00 C ATOM 235 CD2 PHE A 15 8.445 -3.906 -4.926 1.00 10.00 C ATOM 236 CE1 PHE A 15 8.889 -5.419 -7.252 1.00 10.00 C ATOM 237 CE2 PHE A 15 9.738 -4.371 -5.228 1.00 10.00 C ATOM 238 CZ PHE A 15 9.962 -5.126 -6.393 1.00 10.00 C ATOM 0 H PHE A 15 5.171 -3.773 -7.819 1.00 10.00 H new ATOM 0 HA PHE A 15 4.697 -1.968 -5.681 1.00 10.00 H new ATOM 0 HB2 PHE A 15 5.927 -3.473 -4.387 1.00 10.00 H new ATOM 0 HB3 PHE A 15 5.258 -4.488 -5.649 1.00 10.00 H new ATOM 0 HD1 PHE A 15 6.776 -5.184 -7.612 1.00 10.00 H new ATOM 0 HD2 PHE A 15 8.278 -3.324 -4.031 1.00 10.00 H new ATOM 0 HE1 PHE A 15 9.057 -6.001 -8.146 1.00 10.00 H new ATOM 0 HE2 PHE A 15 10.560 -4.148 -4.564 1.00 10.00 H new ATOM 0 HZ PHE A 15 10.955 -5.480 -6.627 1.00 10.00 H new ATOM 248 N GLN A 16 7.291 -1.276 -7.451 1.00 10.00 N ATOM 249 CA GLN A 16 8.286 -0.267 -7.819 1.00 10.00 C ATOM 250 C GLN A 16 7.679 1.099 -8.207 1.00 10.00 C ATOM 251 O GLN A 16 8.419 2.081 -8.303 1.00 10.00 O ATOM 252 CB GLN A 16 9.097 -0.846 -8.990 1.00 10.00 C ATOM 253 CG GLN A 16 10.038 -1.973 -8.532 1.00 10.00 C ATOM 254 CD GLN A 16 10.818 -2.590 -9.693 1.00 10.00 C ATOM 255 OE1 GLN A 16 10.268 -3.003 -10.707 1.00 10.00 O ATOM 256 NE2 GLN A 16 12.128 -2.682 -9.601 1.00 10.00 N ATOM 0 H GLN A 16 7.121 -1.935 -8.211 1.00 10.00 H new ATOM 0 HA GLN A 16 8.909 -0.060 -6.949 1.00 10.00 H new ATOM 0 HB2 GLN A 16 8.416 -1.228 -9.750 1.00 10.00 H new ATOM 0 HB3 GLN A 16 9.681 -0.052 -9.455 1.00 10.00 H new ATOM 0 HG2 GLN A 16 10.739 -1.580 -7.795 1.00 10.00 H new ATOM 0 HG3 GLN A 16 9.456 -2.749 -8.036 1.00 10.00 H new ATOM 0 HE21 GLN A 16 12.606 -2.344 -8.765 1.00 10.00 H new ATOM 0 HE22 GLN A 16 12.665 -3.091 -10.365 1.00 10.00 H new ATOM 265 N GLN A 17 6.358 1.195 -8.417 1.00 10.00 N ATOM 266 CA GLN A 17 5.680 2.405 -8.915 1.00 10.00 C ATOM 267 C GLN A 17 4.586 2.934 -7.984 1.00 10.00 C ATOM 268 O GLN A 17 4.541 4.142 -7.761 1.00 10.00 O ATOM 269 CB GLN A 17 5.112 2.164 -10.326 1.00 10.00 C ATOM 270 CG GLN A 17 6.227 1.966 -11.367 1.00 10.00 C ATOM 271 CD GLN A 17 5.712 2.101 -12.800 1.00 10.00 C ATOM 272 OE1 GLN A 17 5.408 1.130 -13.480 1.00 10.00 O ATOM 273 NE2 GLN A 17 5.594 3.305 -13.323 1.00 10.00 N ATOM 0 H GLN A 17 5.717 0.421 -8.243 1.00 10.00 H new ATOM 0 HA GLN A 17 6.445 3.181 -8.952 1.00 10.00 H new ATOM 0 HB2 GLN A 17 4.468 1.285 -10.313 1.00 10.00 H new ATOM 0 HB3 GLN A 17 4.490 3.011 -10.617 1.00 10.00 H new ATOM 0 HG2 GLN A 17 7.015 2.699 -11.196 1.00 10.00 H new ATOM 0 HG3 GLN A 17 6.674 0.981 -11.235 1.00 10.00 H new ATOM 0 HE21 GLN A 17 5.842 4.127 -12.772 1.00 10.00 H new ATOM 0 HE22 GLN A 17 5.254 3.415 -14.278 1.00 10.00 H new ATOM 282 N MET A 18 3.752 2.085 -7.369 1.00 10.00 N ATOM 283 CA MET A 18 2.665 2.528 -6.483 1.00 10.00 C ATOM 284 C MET A 18 3.148 3.364 -5.289 1.00 10.00 C ATOM 285 O MET A 18 2.467 4.292 -4.862 1.00 10.00 O ATOM 286 CB MET A 18 1.834 1.312 -6.051 1.00 10.00 C ATOM 287 CG MET A 18 2.598 0.310 -5.163 1.00 10.00 C ATOM 288 SD MET A 18 1.644 -1.114 -4.558 1.00 10.00 S ATOM 289 CE MET A 18 1.275 -1.988 -6.104 1.00 10.00 C ATOM 0 H MET A 18 3.811 1.072 -7.471 1.00 10.00 H new ATOM 0 HA MET A 18 2.030 3.209 -7.049 1.00 10.00 H new ATOM 0 HB2 MET A 18 0.953 1.661 -5.512 1.00 10.00 H new ATOM 0 HB3 MET A 18 1.478 0.794 -6.942 1.00 10.00 H new ATOM 0 HG2 MET A 18 3.453 -0.064 -5.726 1.00 10.00 H new ATOM 0 HG3 MET A 18 2.994 0.848 -4.302 1.00 10.00 H new ATOM 0 HE1 MET A 18 0.206 -1.932 -6.307 1.00 10.00 H new ATOM 0 HE2 MET A 18 1.825 -1.525 -6.924 1.00 10.00 H new ATOM 0 HE3 MET A 18 1.573 -3.032 -6.011 1.00 10.00 H new ATOM 299 N ARG A 19 4.363 3.102 -4.793 1.00 10.00 N ATOM 300 CA ARG A 19 4.986 3.841 -3.680 1.00 10.00 C ATOM 301 C ARG A 19 5.429 5.248 -4.077 1.00 10.00 C ATOM 302 O ARG A 19 5.356 6.160 -3.258 1.00 10.00 O ATOM 303 CB ARG A 19 6.178 3.046 -3.123 1.00 10.00 C ATOM 304 CG ARG A 19 5.828 1.562 -2.899 1.00 10.00 C ATOM 305 CD ARG A 19 6.778 0.784 -1.974 1.00 10.00 C ATOM 306 NE ARG A 19 8.148 1.331 -1.923 1.00 10.00 N ATOM 307 CZ ARG A 19 9.104 1.328 -2.827 1.00 10.00 C ATOM 308 NH1 ARG A 19 8.999 0.766 -3.995 1.00 10.00 N ATOM 309 NH2 ARG A 19 10.219 1.925 -2.532 1.00 10.00 N ATOM 0 H ARG A 19 4.955 2.356 -5.159 1.00 10.00 H new ATOM 0 HA ARG A 19 4.225 3.956 -2.908 1.00 10.00 H new ATOM 0 HB2 ARG A 19 7.018 3.120 -3.814 1.00 10.00 H new ATOM 0 HB3 ARG A 19 6.500 3.489 -2.181 1.00 10.00 H new ATOM 0 HG2 ARG A 19 4.821 1.504 -2.486 1.00 10.00 H new ATOM 0 HG3 ARG A 19 5.805 1.063 -3.868 1.00 10.00 H new ATOM 0 HD2 ARG A 19 6.363 0.777 -0.966 1.00 10.00 H new ATOM 0 HD3 ARG A 19 6.824 -0.253 -2.307 1.00 10.00 H new ATOM 0 HE ARG A 19 8.394 1.785 -1.043 1.00 10.00 H new ATOM 0 HH11 ARG A 19 8.135 0.290 -4.256 1.00 10.00 H new ATOM 0 HH12 ARG A 19 9.780 0.801 -4.650 1.00 10.00 H new ATOM 0 HH21 ARG A 19 10.331 2.376 -1.624 1.00 10.00 H new ATOM 0 HH22 ARG A 19 10.982 1.943 -3.208 1.00 10.00 H new ATOM 323 N GLN A 20 5.804 5.454 -5.342 1.00 10.00 N ATOM 324 CA GLN A 20 6.116 6.784 -5.894 1.00 10.00 C ATOM 325 C GLN A 20 4.903 7.719 -5.830 1.00 10.00 C ATOM 326 O GLN A 20 5.052 8.926 -5.634 1.00 10.00 O ATOM 327 CB GLN A 20 6.567 6.699 -7.362 1.00 10.00 C ATOM 328 CG GLN A 20 7.753 5.746 -7.606 1.00 10.00 C ATOM 329 CD GLN A 20 8.230 5.751 -9.060 1.00 10.00 C ATOM 330 OE1 GLN A 20 8.265 6.766 -9.744 1.00 10.00 O ATOM 331 NE2 GLN A 20 8.639 4.621 -9.595 1.00 10.00 N ATOM 0 H GLN A 20 5.902 4.699 -6.021 1.00 10.00 H new ATOM 0 HA GLN A 20 6.925 7.181 -5.281 1.00 10.00 H new ATOM 0 HB2 GLN A 20 5.723 6.374 -7.971 1.00 10.00 H new ATOM 0 HB3 GLN A 20 6.841 7.697 -7.704 1.00 10.00 H new ATOM 0 HG2 GLN A 20 8.581 6.030 -6.956 1.00 10.00 H new ATOM 0 HG3 GLN A 20 7.462 4.733 -7.328 1.00 10.00 H new ATOM 0 HE21 GLN A 20 8.620 3.761 -9.047 1.00 10.00 H new ATOM 0 HE22 GLN A 20 8.975 4.605 -10.558 1.00 10.00 H new ATOM 340 N ILE A 21 3.701 7.156 -5.978 1.00 10.00 N ATOM 341 CA ILE A 21 2.423 7.869 -5.892 1.00 10.00 C ATOM 342 C ILE A 21 2.189 8.359 -4.454 1.00 10.00 C ATOM 343 O ILE A 21 1.775 9.494 -4.225 1.00 10.00 O ATOM 344 CB ILE A 21 1.253 6.961 -6.357 1.00 10.00 C ATOM 345 CG1 ILE A 21 1.630 6.183 -7.639 1.00 10.00 C ATOM 346 CG2 ILE A 21 -0.001 7.822 -6.570 1.00 10.00 C ATOM 347 CD1 ILE A 21 0.530 5.304 -8.244 1.00 10.00 C ATOM 0 H ILE A 21 3.586 6.160 -6.167 1.00 10.00 H new ATOM 0 HA ILE A 21 2.462 8.733 -6.555 1.00 10.00 H new ATOM 0 HB ILE A 21 1.044 6.220 -5.586 1.00 10.00 H new ATOM 0 HG12 ILE A 21 1.949 6.901 -8.394 1.00 10.00 H new ATOM 0 HG13 ILE A 21 2.490 5.551 -7.416 1.00 10.00 H new ATOM 0 HG21 ILE A 21 -0.826 7.189 -6.897 1.00 10.00 H new ATOM 0 HG22 ILE A 21 -0.269 8.313 -5.634 1.00 10.00 H new ATOM 0 HG23 ILE A 21 0.201 8.576 -7.330 1.00 10.00 H new ATOM 0 HD11 ILE A 21 0.910 4.809 -9.138 1.00 10.00 H new ATOM 0 HD12 ILE A 21 0.223 4.553 -7.516 1.00 10.00 H new ATOM 0 HD13 ILE A 21 -0.326 5.924 -8.509 1.00 10.00 H new ATOM 359 N ILE A 22 2.526 7.519 -3.474 1.00 10.00 N ATOM 360 CA ILE A 22 2.377 7.825 -2.040 1.00 10.00 C ATOM 361 C ILE A 22 3.447 8.818 -1.559 1.00 10.00 C ATOM 362 O ILE A 22 3.153 9.720 -0.777 1.00 10.00 O ATOM 363 CB ILE A 22 2.403 6.528 -1.201 1.00 10.00 C ATOM 364 CG1 ILE A 22 1.404 5.449 -1.682 1.00 10.00 C ATOM 365 CG2 ILE A 22 2.120 6.842 0.277 1.00 10.00 C ATOM 366 CD1 ILE A 22 0.012 5.968 -2.068 1.00 10.00 C ATOM 0 H ILE A 22 2.916 6.593 -3.651 1.00 10.00 H new ATOM 0 HA ILE A 22 1.407 8.303 -1.901 1.00 10.00 H new ATOM 0 HB ILE A 22 3.405 6.118 -1.328 1.00 10.00 H new ATOM 0 HG12 ILE A 22 1.834 4.937 -2.543 1.00 10.00 H new ATOM 0 HG13 ILE A 22 1.290 4.705 -0.893 1.00 10.00 H new ATOM 0 HG21 ILE A 22 2.142 5.919 0.856 1.00 10.00 H new ATOM 0 HG22 ILE A 22 2.880 7.525 0.656 1.00 10.00 H new ATOM 0 HG23 ILE A 22 1.137 7.305 0.369 1.00 10.00 H new ATOM 0 HD11 ILE A 22 -0.611 5.134 -2.391 1.00 10.00 H new ATOM 0 HD12 ILE A 22 -0.448 6.452 -1.206 1.00 10.00 H new ATOM 0 HD13 ILE A 22 0.105 6.687 -2.882 1.00 10.00 H new ATOM 378 N GLN A 23 4.671 8.709 -2.079 1.00 10.00 N ATOM 379 CA GLN A 23 5.798 9.613 -1.804 1.00 10.00 C ATOM 380 C GLN A 23 5.571 11.078 -2.252 1.00 10.00 C ATOM 381 O GLN A 23 6.365 11.953 -1.894 1.00 10.00 O ATOM 382 CB GLN A 23 7.065 9.013 -2.445 1.00 10.00 C ATOM 383 CG GLN A 23 7.643 7.819 -1.657 1.00 10.00 C ATOM 384 CD GLN A 23 8.531 8.237 -0.480 1.00 10.00 C ATOM 385 OE1 GLN A 23 8.185 9.074 0.343 1.00 10.00 O ATOM 386 NE2 GLN A 23 9.723 7.690 -0.350 1.00 10.00 N ATOM 0 H GLN A 23 4.918 7.962 -2.728 1.00 10.00 H new ATOM 0 HA GLN A 23 5.908 9.683 -0.722 1.00 10.00 H new ATOM 0 HB2 GLN A 23 6.832 8.691 -3.460 1.00 10.00 H new ATOM 0 HB3 GLN A 23 7.826 9.789 -2.524 1.00 10.00 H new ATOM 0 HG2 GLN A 23 6.821 7.208 -1.283 1.00 10.00 H new ATOM 0 HG3 GLN A 23 8.223 7.193 -2.335 1.00 10.00 H new ATOM 0 HE21 GLN A 23 10.039 6.989 -1.021 1.00 10.00 H new ATOM 0 HE22 GLN A 23 10.330 7.967 0.421 1.00 10.00 H new ATOM 395 N GLN A 24 4.485 11.371 -2.982 1.00 10.00 N ATOM 396 CA GLN A 24 4.077 12.707 -3.416 1.00 10.00 C ATOM 397 C GLN A 24 2.629 13.071 -3.032 1.00 10.00 C ATOM 398 O GLN A 24 2.319 14.243 -2.812 1.00 10.00 O ATOM 399 CB GLN A 24 4.300 12.791 -4.925 1.00 10.00 C ATOM 400 CG GLN A 24 3.382 11.928 -5.800 1.00 10.00 C ATOM 401 CD GLN A 24 3.829 11.935 -7.258 1.00 10.00 C ATOM 402 OE1 GLN A 24 3.486 12.808 -8.046 1.00 10.00 O ATOM 403 NE2 GLN A 24 4.618 10.965 -7.671 1.00 10.00 N ATOM 0 H GLN A 24 3.840 10.647 -3.298 1.00 10.00 H new ATOM 0 HA GLN A 24 4.686 13.444 -2.893 1.00 10.00 H new ATOM 0 HB2 GLN A 24 4.184 13.831 -5.230 1.00 10.00 H new ATOM 0 HB3 GLN A 24 5.333 12.511 -5.134 1.00 10.00 H new ATOM 0 HG2 GLN A 24 3.377 10.905 -5.425 1.00 10.00 H new ATOM 0 HG3 GLN A 24 2.359 12.298 -5.730 1.00 10.00 H new ATOM 0 HE21 GLN A 24 4.909 10.233 -7.023 1.00 10.00 H new ATOM 0 HE22 GLN A 24 4.938 10.945 -8.639 1.00 10.00 H new ATOM 412 N ASN A 25 1.764 12.065 -2.887 1.00 10.00 N ATOM 413 CA ASN A 25 0.391 12.167 -2.385 1.00 10.00 C ATOM 414 C ASN A 25 0.118 11.096 -1.306 1.00 10.00 C ATOM 415 O ASN A 25 -0.531 10.080 -1.581 1.00 10.00 O ATOM 416 CB ASN A 25 -0.611 12.129 -3.557 1.00 10.00 C ATOM 417 CG ASN A 25 -0.894 13.515 -4.103 1.00 10.00 C ATOM 418 OD1 ASN A 25 -0.491 13.884 -5.198 1.00 10.00 O ATOM 419 ND2 ASN A 25 -1.604 14.324 -3.346 1.00 10.00 N ATOM 0 H ASN A 25 2.015 11.107 -3.129 1.00 10.00 H new ATOM 0 HA ASN A 25 0.256 13.129 -1.892 1.00 10.00 H new ATOM 0 HB2 ASN A 25 -0.215 11.499 -4.353 1.00 10.00 H new ATOM 0 HB3 ASN A 25 -1.543 11.673 -3.223 1.00 10.00 H new ATOM 0 HD21 ASN A 25 -1.822 15.266 -3.671 1.00 10.00 H new ATOM 0 HD22 ASN A 25 -1.936 14.009 -2.435 1.00 10.00 H new ATOM 426 N PRO A 26 0.582 11.306 -0.057 1.00 10.00 N ATOM 427 CA PRO A 26 0.354 10.371 1.051 1.00 10.00 C ATOM 428 C PRO A 26 -1.130 10.223 1.422 1.00 10.00 C ATOM 429 O PRO A 26 -1.537 9.189 1.955 1.00 10.00 O ATOM 430 CB PRO A 26 1.193 10.910 2.213 1.00 10.00 C ATOM 431 CG PRO A 26 1.288 12.403 1.925 1.00 10.00 C ATOM 432 CD PRO A 26 1.358 12.450 0.405 1.00 10.00 C ATOM 0 HA PRO A 26 0.651 9.360 0.773 1.00 10.00 H new ATOM 0 HB2 PRO A 26 0.717 10.717 3.174 1.00 10.00 H new ATOM 0 HB3 PRO A 26 2.178 10.445 2.246 1.00 10.00 H new ATOM 0 HG2 PRO A 26 0.422 12.944 2.307 1.00 10.00 H new ATOM 0 HG3 PRO A 26 2.171 12.848 2.384 1.00 10.00 H new ATOM 0 HD2 PRO A 26 0.946 13.384 0.022 1.00 10.00 H new ATOM 0 HD3 PRO A 26 2.389 12.390 0.058 1.00 10.00 H new ATOM 440 N SER A 27 -1.961 11.208 1.065 1.00 10.00 N ATOM 441 CA SER A 27 -3.429 11.154 1.111 1.00 10.00 C ATOM 442 C SER A 27 -4.052 9.992 0.320 1.00 10.00 C ATOM 443 O SER A 27 -5.190 9.607 0.602 1.00 10.00 O ATOM 444 CB SER A 27 -3.998 12.486 0.605 1.00 10.00 C ATOM 445 OG SER A 27 -3.448 12.829 -0.664 1.00 10.00 O ATOM 0 H SER A 27 -1.616 12.104 0.721 1.00 10.00 H new ATOM 0 HA SER A 27 -3.694 10.976 2.153 1.00 10.00 H new ATOM 0 HB2 SER A 27 -5.083 12.416 0.528 1.00 10.00 H new ATOM 0 HB3 SER A 27 -3.780 13.275 1.325 1.00 10.00 H new ATOM 0 HG SER A 27 -3.828 13.681 -0.966 1.00 10.00 H new ATOM 451 N LEU A 28 -3.318 9.394 -0.629 1.00 10.00 N ATOM 452 CA LEU A 28 -3.764 8.252 -1.437 1.00 10.00 C ATOM 453 C LEU A 28 -3.230 6.894 -0.944 1.00 10.00 C ATOM 454 O LEU A 28 -3.501 5.879 -1.581 1.00 10.00 O ATOM 455 CB LEU A 28 -3.412 8.486 -2.917 1.00 10.00 C ATOM 456 CG LEU A 28 -4.032 9.743 -3.557 1.00 10.00 C ATOM 457 CD1 LEU A 28 -3.763 9.699 -5.061 1.00 10.00 C ATOM 458 CD2 LEU A 28 -5.546 9.854 -3.363 1.00 10.00 C ATOM 0 H LEU A 28 -2.373 9.700 -0.861 1.00 10.00 H new ATOM 0 HA LEU A 28 -4.847 8.193 -1.325 1.00 10.00 H new ATOM 0 HB2 LEU A 28 -2.328 8.551 -3.008 1.00 10.00 H new ATOM 0 HB3 LEU A 28 -3.729 7.614 -3.490 1.00 10.00 H new ATOM 0 HG LEU A 28 -3.575 10.602 -3.066 1.00 10.00 H new ATOM 0 HD11 LEU A 28 -4.194 10.581 -5.534 1.00 10.00 H new ATOM 0 HD12 LEU A 28 -2.688 9.682 -5.238 1.00 10.00 H new ATOM 0 HD13 LEU A 28 -4.215 8.802 -5.485 1.00 10.00 H new ATOM 0 HD21 LEU A 28 -5.908 10.764 -3.841 1.00 10.00 H new ATOM 0 HD22 LEU A 28 -6.035 8.989 -3.812 1.00 10.00 H new ATOM 0 HD23 LEU A 28 -5.775 9.888 -2.298 1.00 10.00 H new ATOM 470 N LEU A 29 -2.519 6.830 0.189 1.00 10.00 N ATOM 471 CA LEU A 29 -2.177 5.555 0.837 1.00 10.00 C ATOM 472 C LEU A 29 -3.425 4.685 1.117 1.00 10.00 C ATOM 473 O LEU A 29 -3.457 3.545 0.646 1.00 10.00 O ATOM 474 CB LEU A 29 -1.312 5.825 2.083 1.00 10.00 C ATOM 475 CG LEU A 29 -0.900 4.573 2.881 1.00 10.00 C ATOM 476 CD1 LEU A 29 -0.195 3.525 2.021 1.00 10.00 C ATOM 477 CD2 LEU A 29 0.045 4.969 4.016 1.00 10.00 C ATOM 0 H LEU A 29 -2.167 7.652 0.680 1.00 10.00 H new ATOM 0 HA LEU A 29 -1.580 4.955 0.151 1.00 10.00 H new ATOM 0 HB2 LEU A 29 -0.409 6.351 1.772 1.00 10.00 H new ATOM 0 HB3 LEU A 29 -1.859 6.495 2.746 1.00 10.00 H new ATOM 0 HG LEU A 29 -1.821 4.135 3.265 1.00 10.00 H new ATOM 0 HD11 LEU A 29 0.071 2.667 2.638 1.00 10.00 H new ATOM 0 HD12 LEU A 29 -0.861 3.204 1.220 1.00 10.00 H new ATOM 0 HD13 LEU A 29 0.709 3.956 1.590 1.00 10.00 H new ATOM 0 HD21 LEU A 29 0.333 4.080 4.577 1.00 10.00 H new ATOM 0 HD22 LEU A 29 0.936 5.440 3.600 1.00 10.00 H new ATOM 0 HD23 LEU A 29 -0.459 5.670 4.681 1.00 10.00 H new ATOM 489 N PRO A 30 -4.492 5.208 1.764 1.00 10.00 N ATOM 490 CA PRO A 30 -5.785 4.526 1.864 1.00 10.00 C ATOM 491 C PRO A 30 -6.299 4.009 0.522 1.00 10.00 C ATOM 492 O PRO A 30 -6.640 2.838 0.376 1.00 10.00 O ATOM 493 CB PRO A 30 -6.764 5.562 2.426 1.00 10.00 C ATOM 494 CG PRO A 30 -5.910 6.637 3.082 1.00 10.00 C ATOM 495 CD PRO A 30 -4.500 6.447 2.530 1.00 10.00 C ATOM 0 HA PRO A 30 -5.683 3.646 2.499 1.00 10.00 H new ATOM 0 HB2 PRO A 30 -7.382 5.985 1.634 1.00 10.00 H new ATOM 0 HB3 PRO A 30 -7.441 5.107 3.149 1.00 10.00 H new ATOM 0 HG2 PRO A 30 -6.289 7.632 2.850 1.00 10.00 H new ATOM 0 HG3 PRO A 30 -5.921 6.536 4.167 1.00 10.00 H new ATOM 0 HD2 PRO A 30 -4.219 7.290 1.898 1.00 10.00 H new ATOM 0 HD3 PRO A 30 -3.774 6.401 3.342 1.00 10.00 H new ATOM 503 N ALA A 31 -6.290 4.888 -0.475 1.00 10.00 N ATOM 504 CA ALA A 31 -6.760 4.624 -1.825 1.00 10.00 C ATOM 505 C ALA A 31 -5.920 3.577 -2.592 1.00 10.00 C ATOM 506 O ALA A 31 -6.393 3.048 -3.602 1.00 10.00 O ATOM 507 CB ALA A 31 -6.824 5.977 -2.539 1.00 10.00 C ATOM 0 H ALA A 31 -5.941 5.839 -0.357 1.00 10.00 H new ATOM 0 HA ALA A 31 -7.746 4.160 -1.785 1.00 10.00 H new ATOM 0 HB1 ALA A 31 -7.173 5.833 -3.561 1.00 10.00 H new ATOM 0 HB2 ALA A 31 -7.513 6.635 -2.010 1.00 10.00 H new ATOM 0 HB3 ALA A 31 -5.832 6.427 -2.555 1.00 10.00 H new ATOM 513 N LEU A 32 -4.718 3.225 -2.111 1.00 10.00 N ATOM 514 CA LEU A 32 -3.878 2.175 -2.693 1.00 10.00 C ATOM 515 C LEU A 32 -4.077 0.862 -1.938 1.00 10.00 C ATOM 516 O LEU A 32 -4.197 -0.185 -2.561 1.00 10.00 O ATOM 517 CB LEU A 32 -2.418 2.637 -2.629 1.00 10.00 C ATOM 518 CG LEU A 32 -1.374 1.607 -3.089 1.00 10.00 C ATOM 519 CD1 LEU A 32 -1.616 1.122 -4.519 1.00 10.00 C ATOM 520 CD2 LEU A 32 0.018 2.234 -2.990 1.00 10.00 C ATOM 0 H LEU A 32 -4.299 3.670 -1.295 1.00 10.00 H new ATOM 0 HA LEU A 32 -4.155 1.998 -3.732 1.00 10.00 H new ATOM 0 HB2 LEU A 32 -2.312 3.533 -3.241 1.00 10.00 H new ATOM 0 HB3 LEU A 32 -2.191 2.924 -1.602 1.00 10.00 H new ATOM 0 HG LEU A 32 -1.457 0.737 -2.438 1.00 10.00 H new ATOM 0 HD11 LEU A 32 -0.850 0.397 -4.792 1.00 10.00 H new ATOM 0 HD12 LEU A 32 -2.598 0.654 -4.583 1.00 10.00 H new ATOM 0 HD13 LEU A 32 -1.573 1.970 -5.203 1.00 10.00 H new ATOM 0 HD21 LEU A 32 0.767 1.511 -3.314 1.00 10.00 H new ATOM 0 HD22 LEU A 32 0.066 3.117 -3.628 1.00 10.00 H new ATOM 0 HD23 LEU A 32 0.215 2.522 -1.957 1.00 10.00 H new ATOM 532 N LEU A 33 -4.212 0.907 -0.613 1.00 10.00 N ATOM 533 CA LEU A 33 -4.622 -0.245 0.194 1.00 10.00 C ATOM 534 C LEU A 33 -6.000 -0.767 -0.254 1.00 10.00 C ATOM 535 O LEU A 33 -6.177 -1.967 -0.459 1.00 10.00 O ATOM 536 CB LEU A 33 -4.621 0.176 1.670 1.00 10.00 C ATOM 537 CG LEU A 33 -3.215 0.522 2.203 1.00 10.00 C ATOM 538 CD1 LEU A 33 -3.335 1.523 3.347 1.00 10.00 C ATOM 539 CD2 LEU A 33 -2.484 -0.727 2.691 1.00 10.00 C ATOM 0 H LEU A 33 -4.039 1.749 -0.064 1.00 10.00 H new ATOM 0 HA LEU A 33 -3.921 -1.068 0.057 1.00 10.00 H new ATOM 0 HB2 LEU A 33 -5.273 1.041 1.795 1.00 10.00 H new ATOM 0 HB3 LEU A 33 -5.042 -0.630 2.271 1.00 10.00 H new ATOM 0 HG LEU A 33 -2.639 0.957 1.386 1.00 10.00 H new ATOM 0 HD11 LEU A 33 -2.341 1.767 3.723 1.00 10.00 H new ATOM 0 HD12 LEU A 33 -3.820 2.431 2.987 1.00 10.00 H new ATOM 0 HD13 LEU A 33 -3.930 1.088 4.150 1.00 10.00 H new ATOM 0 HD21 LEU A 33 -1.497 -0.450 3.060 1.00 10.00 H new ATOM 0 HD22 LEU A 33 -3.055 -1.192 3.495 1.00 10.00 H new ATOM 0 HD23 LEU A 33 -2.378 -1.432 1.867 1.00 10.00 H new ATOM 551 N GLN A 34 -6.950 0.136 -0.522 1.00 10.00 N ATOM 552 CA GLN A 34 -8.248 -0.194 -1.124 1.00 10.00 C ATOM 553 C GLN A 34 -8.124 -0.782 -2.542 1.00 10.00 C ATOM 554 O GLN A 34 -8.969 -1.587 -2.938 1.00 10.00 O ATOM 555 CB GLN A 34 -9.139 1.061 -1.148 1.00 10.00 C ATOM 556 CG GLN A 34 -9.650 1.446 0.251 1.00 10.00 C ATOM 557 CD GLN A 34 -10.433 2.759 0.221 1.00 10.00 C ATOM 558 OE1 GLN A 34 -9.878 3.851 0.203 1.00 10.00 O ATOM 559 NE2 GLN A 34 -11.751 2.715 0.208 1.00 10.00 N ATOM 0 H GLN A 34 -6.838 1.130 -0.324 1.00 10.00 H new ATOM 0 HA GLN A 34 -8.702 -0.968 -0.505 1.00 10.00 H new ATOM 0 HB2 GLN A 34 -8.576 1.895 -1.568 1.00 10.00 H new ATOM 0 HB3 GLN A 34 -9.990 0.887 -1.807 1.00 10.00 H new ATOM 0 HG2 GLN A 34 -10.287 0.651 0.638 1.00 10.00 H new ATOM 0 HG3 GLN A 34 -8.806 1.540 0.934 1.00 10.00 H new ATOM 0 HE21 GLN A 34 -12.231 1.815 0.223 1.00 10.00 H new ATOM 0 HE22 GLN A 34 -12.290 3.581 0.183 1.00 10.00 H new ATOM 568 N GLN A 35 -7.076 -0.433 -3.302 1.00 10.00 N ATOM 569 CA GLN A 35 -6.842 -0.965 -4.649 1.00 10.00 C ATOM 570 C GLN A 35 -6.179 -2.352 -4.608 1.00 10.00 C ATOM 571 O GLN A 35 -6.611 -3.265 -5.314 1.00 10.00 O ATOM 572 CB GLN A 35 -6.031 0.079 -5.437 1.00 10.00 C ATOM 573 CG GLN A 35 -5.501 -0.430 -6.780 1.00 10.00 C ATOM 574 CD GLN A 35 -4.926 0.687 -7.653 1.00 10.00 C ATOM 575 OE1 GLN A 35 -4.233 1.589 -7.198 1.00 10.00 O ATOM 576 NE2 GLN A 35 -5.184 0.678 -8.945 1.00 10.00 N ATOM 0 H GLN A 35 -6.364 0.230 -2.996 1.00 10.00 H new ATOM 0 HA GLN A 35 -7.789 -1.130 -5.162 1.00 10.00 H new ATOM 0 HB2 GLN A 35 -6.657 0.954 -5.613 1.00 10.00 H new ATOM 0 HB3 GLN A 35 -5.190 0.407 -4.827 1.00 10.00 H new ATOM 0 HG2 GLN A 35 -4.729 -1.178 -6.601 1.00 10.00 H new ATOM 0 HG3 GLN A 35 -6.308 -0.927 -7.319 1.00 10.00 H new ATOM 0 HE21 GLN A 35 -5.759 -0.064 -9.345 1.00 10.00 H new ATOM 0 HE22 GLN A 35 -4.809 1.413 -9.545 1.00 10.00 H new ATOM 585 N ILE A 36 -5.200 -2.551 -3.721 1.00 10.00 N ATOM 586 CA ILE A 36 -4.620 -3.863 -3.399 1.00 10.00 C ATOM 587 C ILE A 36 -5.732 -4.811 -2.913 1.00 10.00 C ATOM 588 O ILE A 36 -5.779 -5.956 -3.341 1.00 10.00 O ATOM 589 CB ILE A 36 -3.470 -3.711 -2.380 1.00 10.00 C ATOM 590 CG1 ILE A 36 -2.328 -2.836 -2.954 1.00 10.00 C ATOM 591 CG2 ILE A 36 -2.863 -5.075 -1.981 1.00 10.00 C ATOM 592 CD1 ILE A 36 -1.411 -2.288 -1.857 1.00 10.00 C ATOM 0 H ILE A 36 -4.777 -1.788 -3.193 1.00 10.00 H new ATOM 0 HA ILE A 36 -4.181 -4.306 -4.293 1.00 10.00 H new ATOM 0 HB ILE A 36 -3.908 -3.238 -1.501 1.00 10.00 H new ATOM 0 HG12 ILE A 36 -1.739 -3.426 -3.656 1.00 10.00 H new ATOM 0 HG13 ILE A 36 -2.756 -2.006 -3.516 1.00 10.00 H new ATOM 0 HG21 ILE A 36 -2.058 -4.919 -1.263 1.00 10.00 H new ATOM 0 HG22 ILE A 36 -3.635 -5.699 -1.531 1.00 10.00 H new ATOM 0 HG23 ILE A 36 -2.467 -5.570 -2.868 1.00 10.00 H new ATOM 0 HD11 ILE A 36 -0.626 -1.681 -2.308 1.00 10.00 H new ATOM 0 HD12 ILE A 36 -1.993 -1.675 -1.169 1.00 10.00 H new ATOM 0 HD13 ILE A 36 -0.960 -3.117 -1.312 1.00 10.00 H new ATOM 604 N GLY A 37 -6.706 -4.332 -2.127 1.00 10.00 N ATOM 605 CA GLY A 37 -7.881 -5.105 -1.697 1.00 10.00 C ATOM 606 C GLY A 37 -8.834 -5.574 -2.809 1.00 10.00 C ATOM 607 O GLY A 37 -9.729 -6.374 -2.529 1.00 10.00 O ATOM 0 H GLY A 37 -6.700 -3.378 -1.765 1.00 10.00 H new ATOM 0 HA2 GLY A 37 -7.532 -5.983 -1.153 1.00 10.00 H new ATOM 0 HA3 GLY A 37 -8.450 -4.499 -0.992 1.00 10.00 H new ATOM 611 N ARG A 38 -8.642 -5.131 -4.061 1.00 10.00 N ATOM 612 CA ARG A 38 -9.374 -5.603 -5.248 1.00 10.00 C ATOM 613 C ARG A 38 -8.488 -6.415 -6.196 1.00 10.00 C ATOM 614 O ARG A 38 -8.904 -7.471 -6.669 1.00 10.00 O ATOM 615 CB ARG A 38 -9.991 -4.402 -5.974 1.00 10.00 C ATOM 616 CG ARG A 38 -11.005 -3.637 -5.118 1.00 10.00 C ATOM 617 CD ARG A 38 -12.262 -4.437 -4.756 1.00 10.00 C ATOM 618 NE ARG A 38 -13.030 -4.862 -5.944 1.00 10.00 N ATOM 619 CZ ARG A 38 -14.073 -5.674 -5.960 1.00 10.00 C ATOM 620 NH1 ARG A 38 -14.551 -6.211 -4.872 1.00 10.00 N ATOM 621 NH2 ARG A 38 -14.664 -5.966 -7.082 1.00 10.00 N ATOM 0 H ARG A 38 -7.952 -4.413 -4.283 1.00 10.00 H new ATOM 0 HA ARG A 38 -10.163 -6.275 -4.912 1.00 10.00 H new ATOM 0 HB2 ARG A 38 -9.196 -3.722 -6.279 1.00 10.00 H new ATOM 0 HB3 ARG A 38 -10.481 -4.748 -6.884 1.00 10.00 H new ATOM 0 HG2 ARG A 38 -10.516 -3.316 -4.198 1.00 10.00 H new ATOM 0 HG3 ARG A 38 -11.305 -2.735 -5.651 1.00 10.00 H new ATOM 0 HD2 ARG A 38 -11.974 -5.317 -4.181 1.00 10.00 H new ATOM 0 HD3 ARG A 38 -12.901 -3.831 -4.113 1.00 10.00 H new ATOM 0 HE ARG A 38 -12.724 -4.491 -6.844 1.00 10.00 H new ATOM 0 HH11 ARG A 38 -14.118 -6.009 -3.971 1.00 10.00 H new ATOM 0 HH12 ARG A 38 -15.358 -6.833 -4.922 1.00 10.00 H new ATOM 0 HH21 ARG A 38 -14.323 -5.568 -7.957 1.00 10.00 H new ATOM 0 HH22 ARG A 38 -15.468 -6.593 -7.087 1.00 10.00 H new ATOM 635 N GLU A 39 -7.263 -5.957 -6.452 1.00 10.00 N ATOM 636 CA GLU A 39 -6.307 -6.559 -7.369 1.00 10.00 C ATOM 637 C GLU A 39 -5.532 -7.753 -6.764 1.00 10.00 C ATOM 638 O GLU A 39 -5.172 -8.696 -7.472 1.00 10.00 O ATOM 639 CB GLU A 39 -5.376 -5.385 -7.679 1.00 10.00 C ATOM 640 CG GLU A 39 -4.431 -5.588 -8.842 1.00 10.00 C ATOM 641 CD GLU A 39 -5.156 -5.610 -10.203 1.00 10.00 C ATOM 642 OE1 GLU A 39 -5.332 -4.531 -10.821 1.00 10.00 O ATOM 643 OE2 GLU A 39 -5.553 -6.705 -10.671 1.00 10.00 O ATOM 0 H GLU A 39 -6.897 -5.117 -6.003 1.00 10.00 H new ATOM 0 HA GLU A 39 -6.790 -6.996 -8.243 1.00 10.00 H new ATOM 0 HB2 GLU A 39 -5.986 -4.504 -7.880 1.00 10.00 H new ATOM 0 HB3 GLU A 39 -4.786 -5.168 -6.789 1.00 10.00 H new ATOM 0 HG2 GLU A 39 -3.688 -4.791 -8.844 1.00 10.00 H new ATOM 0 HG3 GLU A 39 -3.892 -6.526 -8.707 1.00 10.00 H new ATOM 650 N ASN A 40 -5.299 -7.728 -5.447 1.00 10.00 N ATOM 651 CA ASN A 40 -4.506 -8.685 -4.669 1.00 10.00 C ATOM 652 C ASN A 40 -5.010 -8.781 -3.200 1.00 10.00 C ATOM 653 O ASN A 40 -4.254 -8.468 -2.275 1.00 10.00 O ATOM 654 CB ASN A 40 -3.027 -8.246 -4.662 1.00 10.00 C ATOM 655 CG ASN A 40 -2.286 -8.255 -5.978 1.00 10.00 C ATOM 656 OD1 ASN A 40 -2.196 -7.262 -6.685 1.00 10.00 O ATOM 657 ND2 ASN A 40 -1.612 -9.341 -6.270 1.00 10.00 N ATOM 0 H ASN A 40 -5.685 -6.990 -4.858 1.00 10.00 H new ATOM 0 HA ASN A 40 -4.611 -9.664 -5.136 1.00 10.00 H new ATOM 0 HB2 ASN A 40 -2.979 -7.235 -4.257 1.00 10.00 H new ATOM 0 HB3 ASN A 40 -2.488 -8.893 -3.969 1.00 10.00 H new ATOM 0 HD21 ASN A 40 -1.008 -9.361 -7.092 1.00 10.00 H new ATOM 0 HD22 ASN A 40 -1.692 -10.166 -5.676 1.00 10.00 H new ATOM 664 N PRO A 41 -6.262 -9.190 -2.919 1.00 10.00 N ATOM 665 CA PRO A 41 -6.809 -9.191 -1.553 1.00 10.00 C ATOM 666 C PRO A 41 -5.978 -9.996 -0.534 1.00 10.00 C ATOM 667 O PRO A 41 -5.951 -9.663 0.650 1.00 10.00 O ATOM 668 CB PRO A 41 -8.248 -9.700 -1.691 1.00 10.00 C ATOM 669 CG PRO A 41 -8.239 -10.478 -3.001 1.00 10.00 C ATOM 670 CD PRO A 41 -7.255 -9.685 -3.856 1.00 10.00 C ATOM 0 HA PRO A 41 -6.776 -8.186 -1.132 1.00 10.00 H new ATOM 0 HB2 PRO A 41 -8.529 -10.335 -0.851 1.00 10.00 H new ATOM 0 HB3 PRO A 41 -8.962 -8.877 -1.720 1.00 10.00 H new ATOM 0 HG2 PRO A 41 -7.912 -11.508 -2.858 1.00 10.00 H new ATOM 0 HG3 PRO A 41 -9.229 -10.518 -3.455 1.00 10.00 H new ATOM 0 HD2 PRO A 41 -6.799 -10.314 -4.620 1.00 10.00 H new ATOM 0 HD3 PRO A 41 -7.753 -8.865 -4.374 1.00 10.00 H new ATOM 678 N GLN A 42 -5.227 -11.002 -0.992 1.00 10.00 N ATOM 679 CA GLN A 42 -4.286 -11.785 -0.177 1.00 10.00 C ATOM 680 C GLN A 42 -3.033 -10.994 0.221 1.00 10.00 C ATOM 681 O GLN A 42 -2.564 -11.104 1.354 1.00 10.00 O ATOM 682 CB GLN A 42 -3.856 -13.026 -0.968 1.00 10.00 C ATOM 683 CG GLN A 42 -5.071 -13.857 -1.399 1.00 10.00 C ATOM 684 CD GLN A 42 -4.675 -15.188 -2.042 1.00 10.00 C ATOM 685 OE1 GLN A 42 -3.879 -15.253 -2.971 1.00 10.00 O ATOM 686 NE2 GLN A 42 -5.208 -16.301 -1.582 1.00 10.00 N ATOM 0 H GLN A 42 -5.256 -11.304 -1.966 1.00 10.00 H new ATOM 0 HA GLN A 42 -4.805 -12.056 0.743 1.00 10.00 H new ATOM 0 HB2 GLN A 42 -3.290 -12.721 -1.848 1.00 10.00 H new ATOM 0 HB3 GLN A 42 -3.192 -13.638 -0.357 1.00 10.00 H new ATOM 0 HG2 GLN A 42 -5.701 -14.050 -0.531 1.00 10.00 H new ATOM 0 HG3 GLN A 42 -5.669 -13.280 -2.105 1.00 10.00 H new ATOM 0 HE21 GLN A 42 -5.873 -16.267 -0.809 1.00 10.00 H new ATOM 0 HE22 GLN A 42 -4.956 -17.197 -1.999 1.00 10.00 H new ATOM 695 N LEU A 43 -2.486 -10.181 -0.689 1.00 10.00 N ATOM 696 CA LEU A 43 -1.431 -9.210 -0.373 1.00 10.00 C ATOM 697 C LEU A 43 -1.962 -8.115 0.551 1.00 10.00 C ATOM 698 O LEU A 43 -1.225 -7.616 1.395 1.00 10.00 O ATOM 699 CB LEU A 43 -0.900 -8.590 -1.678 1.00 10.00 C ATOM 700 CG LEU A 43 0.239 -7.569 -1.523 1.00 10.00 C ATOM 701 CD1 LEU A 43 1.436 -8.076 -0.717 1.00 10.00 C ATOM 702 CD2 LEU A 43 0.728 -7.163 -2.912 1.00 10.00 C ATOM 0 H LEU A 43 -2.764 -10.177 -1.671 1.00 10.00 H new ATOM 0 HA LEU A 43 -0.620 -9.725 0.142 1.00 10.00 H new ATOM 0 HB2 LEU A 43 -0.554 -9.396 -2.325 1.00 10.00 H new ATOM 0 HB3 LEU A 43 -1.730 -8.104 -2.190 1.00 10.00 H new ATOM 0 HG LEU A 43 -0.177 -6.729 -0.967 1.00 10.00 H new ATOM 0 HD11 LEU A 43 2.192 -7.293 -0.657 1.00 10.00 H new ATOM 0 HD12 LEU A 43 1.111 -8.344 0.288 1.00 10.00 H new ATOM 0 HD13 LEU A 43 1.860 -8.953 -1.207 1.00 10.00 H new ATOM 0 HD21 LEU A 43 1.537 -6.438 -2.816 1.00 10.00 H new ATOM 0 HD22 LEU A 43 1.091 -8.044 -3.442 1.00 10.00 H new ATOM 0 HD23 LEU A 43 -0.094 -6.717 -3.471 1.00 10.00 H new ATOM 714 N LEU A 44 -3.243 -7.766 0.420 1.00 10.00 N ATOM 715 CA LEU A 44 -3.833 -6.707 1.253 1.00 10.00 C ATOM 716 C LEU A 44 -3.897 -7.131 2.717 1.00 10.00 C ATOM 717 O LEU A 44 -3.346 -6.472 3.595 1.00 10.00 O ATOM 718 CB LEU A 44 -5.233 -6.336 0.749 1.00 10.00 C ATOM 719 CG LEU A 44 -5.782 -4.984 1.250 1.00 10.00 C ATOM 720 CD1 LEU A 44 -6.783 -5.147 2.384 1.00 10.00 C ATOM 721 CD2 LEU A 44 -4.753 -3.923 1.656 1.00 10.00 C ATOM 0 H LEU A 44 -3.888 -8.193 -0.245 1.00 10.00 H new ATOM 0 HA LEU A 44 -3.190 -5.830 1.178 1.00 10.00 H new ATOM 0 HB2 LEU A 44 -5.216 -6.320 -0.341 1.00 10.00 H new ATOM 0 HB3 LEU A 44 -5.927 -7.123 1.045 1.00 10.00 H new ATOM 0 HG LEU A 44 -6.266 -4.602 0.351 1.00 10.00 H new ATOM 0 HD11 LEU A 44 -7.138 -4.166 2.699 1.00 10.00 H new ATOM 0 HD12 LEU A 44 -7.627 -5.746 2.041 1.00 10.00 H new ATOM 0 HD13 LEU A 44 -6.302 -5.646 3.225 1.00 10.00 H new ATOM 0 HD21 LEU A 44 -5.270 -3.023 1.988 1.00 10.00 H new ATOM 0 HD22 LEU A 44 -4.135 -4.307 2.468 1.00 10.00 H new ATOM 0 HD23 LEU A 44 -4.121 -3.683 0.801 1.00 10.00 H new ATOM 733 N GLN A 45 -4.506 -8.290 2.951 1.00 10.00 N ATOM 734 CA GLN A 45 -4.506 -8.964 4.257 1.00 10.00 C ATOM 735 C GLN A 45 -3.090 -9.111 4.851 1.00 10.00 C ATOM 736 O GLN A 45 -2.901 -8.869 6.043 1.00 10.00 O ATOM 737 CB GLN A 45 -5.193 -10.337 4.139 1.00 10.00 C ATOM 738 CG GLN A 45 -6.713 -10.252 3.919 1.00 10.00 C ATOM 739 CD GLN A 45 -7.459 -9.732 5.149 1.00 10.00 C ATOM 740 OE1 GLN A 45 -7.711 -8.545 5.306 1.00 10.00 O ATOM 741 NE2 GLN A 45 -7.838 -10.592 6.073 1.00 10.00 N ATOM 0 H GLN A 45 -5.022 -8.799 2.233 1.00 10.00 H new ATOM 0 HA GLN A 45 -5.068 -8.335 4.948 1.00 10.00 H new ATOM 0 HB2 GLN A 45 -4.745 -10.887 3.311 1.00 10.00 H new ATOM 0 HB3 GLN A 45 -4.998 -10.910 5.045 1.00 10.00 H new ATOM 0 HG2 GLN A 45 -6.917 -9.598 3.072 1.00 10.00 H new ATOM 0 HG3 GLN A 45 -7.094 -11.239 3.658 1.00 10.00 H new ATOM 0 HE21 GLN A 45 -7.636 -11.585 5.959 1.00 10.00 H new ATOM 0 HE22 GLN A 45 -8.333 -10.264 6.902 1.00 10.00 H new ATOM 750 N GLN A 46 -2.079 -9.430 4.033 1.00 10.00 N ATOM 751 CA GLN A 46 -0.682 -9.526 4.478 1.00 10.00 C ATOM 752 C GLN A 46 -0.076 -8.164 4.849 1.00 10.00 C ATOM 753 O GLN A 46 0.561 -8.035 5.894 1.00 10.00 O ATOM 754 CB GLN A 46 0.143 -10.184 3.367 1.00 10.00 C ATOM 755 CG GLN A 46 -0.019 -11.709 3.400 1.00 10.00 C ATOM 756 CD GLN A 46 0.672 -12.379 2.216 1.00 10.00 C ATOM 757 OE1 GLN A 46 1.821 -12.794 2.269 1.00 10.00 O ATOM 758 NE2 GLN A 46 -0.013 -12.505 1.099 1.00 10.00 N ATOM 0 H GLN A 46 -2.207 -9.629 3.041 1.00 10.00 H new ATOM 0 HA GLN A 46 -0.661 -10.129 5.386 1.00 10.00 H new ATOM 0 HB2 GLN A 46 -0.174 -9.801 2.397 1.00 10.00 H new ATOM 0 HB3 GLN A 46 1.195 -9.923 3.485 1.00 10.00 H new ATOM 0 HG2 GLN A 46 0.395 -12.098 4.330 1.00 10.00 H new ATOM 0 HG3 GLN A 46 -1.079 -11.962 3.393 1.00 10.00 H new ATOM 0 HE21 GLN A 46 -0.972 -12.161 1.047 1.00 10.00 H new ATOM 0 HE22 GLN A 46 0.415 -12.946 0.285 1.00 10.00 H new ATOM 767 N ILE A 47 -0.308 -7.128 4.040 1.00 10.00 N ATOM 768 CA ILE A 47 0.067 -5.745 4.360 1.00 10.00 C ATOM 769 C ILE A 47 -0.612 -5.281 5.654 1.00 10.00 C ATOM 770 O ILE A 47 0.044 -4.660 6.482 1.00 10.00 O ATOM 771 CB ILE A 47 -0.211 -4.827 3.152 1.00 10.00 C ATOM 772 CG1 ILE A 47 0.879 -5.098 2.089 1.00 10.00 C ATOM 773 CG2 ILE A 47 -0.224 -3.339 3.549 1.00 10.00 C ATOM 774 CD1 ILE A 47 0.593 -4.438 0.742 1.00 10.00 C ATOM 0 H ILE A 47 -0.766 -7.225 3.134 1.00 10.00 H new ATOM 0 HA ILE A 47 1.139 -5.691 4.552 1.00 10.00 H new ATOM 0 HB ILE A 47 -1.201 -5.048 2.753 1.00 10.00 H new ATOM 0 HG12 ILE A 47 1.838 -4.740 2.464 1.00 10.00 H new ATOM 0 HG13 ILE A 47 0.975 -6.174 1.944 1.00 10.00 H new ATOM 0 HG21 ILE A 47 -0.423 -2.729 2.668 1.00 10.00 H new ATOM 0 HG22 ILE A 47 -1.002 -3.168 4.293 1.00 10.00 H new ATOM 0 HG23 ILE A 47 0.744 -3.066 3.968 1.00 10.00 H new ATOM 0 HD11 ILE A 47 1.398 -4.670 0.045 1.00 10.00 H new ATOM 0 HD12 ILE A 47 -0.350 -4.814 0.345 1.00 10.00 H new ATOM 0 HD13 ILE A 47 0.526 -3.358 0.873 1.00 10.00 H new ATOM 786 N SER A 48 -1.874 -5.638 5.896 1.00 10.00 N ATOM 787 CA SER A 48 -2.572 -5.309 7.153 1.00 10.00 C ATOM 788 C SER A 48 -1.959 -6.012 8.374 1.00 10.00 C ATOM 789 O SER A 48 -1.902 -5.428 9.458 1.00 10.00 O ATOM 790 CB SER A 48 -4.064 -5.653 7.062 1.00 10.00 C ATOM 791 OG SER A 48 -4.706 -4.817 6.111 1.00 10.00 O ATOM 0 H SER A 48 -2.445 -6.162 5.233 1.00 10.00 H new ATOM 0 HA SER A 48 -2.453 -4.234 7.292 1.00 10.00 H new ATOM 0 HB2 SER A 48 -4.186 -6.698 6.778 1.00 10.00 H new ATOM 0 HB3 SER A 48 -4.532 -5.531 8.039 1.00 10.00 H new ATOM 0 HG SER A 48 -5.657 -5.048 6.062 1.00 10.00 H new ATOM 797 N GLN A 49 -1.451 -7.239 8.206 1.00 10.00 N ATOM 798 CA GLN A 49 -0.732 -8.000 9.240 1.00 10.00 C ATOM 799 C GLN A 49 0.673 -7.446 9.571 1.00 10.00 C ATOM 800 O GLN A 49 1.191 -7.728 10.656 1.00 10.00 O ATOM 801 CB GLN A 49 -0.640 -9.474 8.797 1.00 10.00 C ATOM 802 CG GLN A 49 -1.969 -10.219 8.995 1.00 10.00 C ATOM 803 CD GLN A 49 -1.925 -11.646 8.445 1.00 10.00 C ATOM 804 OE1 GLN A 49 -1.596 -11.900 7.291 1.00 10.00 O ATOM 805 NE2 GLN A 49 -2.255 -12.644 9.240 1.00 10.00 N ATOM 0 H GLN A 49 -1.530 -7.745 7.324 1.00 10.00 H new ATOM 0 HA GLN A 49 -1.303 -7.904 10.164 1.00 10.00 H new ATOM 0 HB2 GLN A 49 -0.352 -9.519 7.747 1.00 10.00 H new ATOM 0 HB3 GLN A 49 0.144 -9.975 9.365 1.00 10.00 H new ATOM 0 HG2 GLN A 49 -2.211 -10.249 10.057 1.00 10.00 H new ATOM 0 HG3 GLN A 49 -2.769 -9.667 8.502 1.00 10.00 H new ATOM 0 HE21 GLN A 49 -2.532 -12.458 10.204 1.00 10.00 H new ATOM 0 HE22 GLN A 49 -2.233 -13.602 8.891 1.00 10.00 H new ATOM 814 N HIS A 50 1.283 -6.648 8.683 1.00 10.00 N ATOM 815 CA HIS A 50 2.690 -6.207 8.767 1.00 10.00 C ATOM 816 C HIS A 50 2.882 -4.723 8.365 1.00 10.00 C ATOM 817 O HIS A 50 3.921 -4.343 7.818 1.00 10.00 O ATOM 818 CB HIS A 50 3.557 -7.149 7.904 1.00 10.00 C ATOM 819 CG HIS A 50 3.448 -8.613 8.261 1.00 10.00 C ATOM 820 ND1 HIS A 50 3.806 -9.194 9.459 1.00 10.00 N ATOM 821 CD2 HIS A 50 2.973 -9.615 7.457 1.00 10.00 C ATOM 822 CE1 HIS A 50 3.539 -10.509 9.386 1.00 10.00 C ATOM 823 NE2 HIS A 50 3.030 -10.818 8.179 1.00 10.00 N ATOM 0 H HIS A 50 0.802 -6.279 7.863 1.00 10.00 H new ATOM 0 HA HIS A 50 3.008 -6.265 9.808 1.00 10.00 H new ATOM 0 HB2 HIS A 50 3.276 -7.022 6.858 1.00 10.00 H new ATOM 0 HB3 HIS A 50 4.600 -6.844 7.993 1.00 10.00 H new ATOM 0 HD2 HIS A 50 2.617 -9.500 6.444 1.00 10.00 H new ATOM 0 HE1 HIS A 50 3.709 -11.218 10.183 1.00 10.00 H new ATOM 0 HE2 HIS A 50 2.743 -11.741 7.854 1.00 10.00 H new ATOM 831 N GLN A 51 1.867 -3.880 8.584 1.00 10.00 N ATOM 832 CA GLN A 51 1.723 -2.571 7.927 1.00 10.00 C ATOM 833 C GLN A 51 2.869 -1.580 8.191 1.00 10.00 C ATOM 834 O GLN A 51 3.211 -0.791 7.313 1.00 10.00 O ATOM 835 CB GLN A 51 0.359 -1.969 8.312 1.00 10.00 C ATOM 836 CG GLN A 51 -0.143 -0.990 7.242 1.00 10.00 C ATOM 837 CD GLN A 51 -1.535 -0.439 7.559 1.00 10.00 C ATOM 838 OE1 GLN A 51 -1.839 -0.022 8.670 1.00 10.00 O ATOM 839 NE2 GLN A 51 -2.439 -0.410 6.601 1.00 10.00 N ATOM 0 H GLN A 51 1.109 -4.089 9.233 1.00 10.00 H new ATOM 0 HA GLN A 51 1.776 -2.751 6.853 1.00 10.00 H new ATOM 0 HB2 GLN A 51 -0.369 -2.769 8.445 1.00 10.00 H new ATOM 0 HB3 GLN A 51 0.444 -1.453 9.268 1.00 10.00 H new ATOM 0 HG2 GLN A 51 0.560 -0.162 7.153 1.00 10.00 H new ATOM 0 HG3 GLN A 51 -0.166 -1.494 6.276 1.00 10.00 H new ATOM 0 HE21 GLN A 51 -2.206 -0.753 5.669 1.00 10.00 H new ATOM 0 HE22 GLN A 51 -3.372 -0.045 6.791 1.00 10.00 H new ATOM 848 N GLU A 52 3.513 -1.643 9.359 1.00 10.00 N ATOM 849 CA GLU A 52 4.701 -0.848 9.674 1.00 10.00 C ATOM 850 C GLU A 52 5.859 -1.114 8.693 1.00 10.00 C ATOM 851 O GLU A 52 6.538 -0.179 8.270 1.00 10.00 O ATOM 852 CB GLU A 52 5.103 -1.153 11.125 1.00 10.00 C ATOM 853 CG GLU A 52 6.210 -0.222 11.616 1.00 10.00 C ATOM 854 CD GLU A 52 6.511 -0.450 13.109 1.00 10.00 C ATOM 855 OE1 GLU A 52 7.289 -1.376 13.445 1.00 10.00 O ATOM 856 OE2 GLU A 52 5.975 0.299 13.964 1.00 10.00 O ATOM 0 H GLU A 52 3.220 -2.255 10.121 1.00 10.00 H new ATOM 0 HA GLU A 52 4.467 0.211 9.567 1.00 10.00 H new ATOM 0 HB2 GLU A 52 4.231 -1.054 11.772 1.00 10.00 H new ATOM 0 HB3 GLU A 52 5.439 -2.187 11.199 1.00 10.00 H new ATOM 0 HG2 GLU A 52 7.114 -0.389 11.031 1.00 10.00 H new ATOM 0 HG3 GLU A 52 5.914 0.815 11.457 1.00 10.00 H new ATOM 863 N HIS A 53 6.059 -2.367 8.270 1.00 10.00 N ATOM 864 CA HIS A 53 7.105 -2.731 7.313 1.00 10.00 C ATOM 865 C HIS A 53 6.771 -2.287 5.876 1.00 10.00 C ATOM 866 O HIS A 53 7.658 -1.851 5.139 1.00 10.00 O ATOM 867 CB HIS A 53 7.362 -4.241 7.400 1.00 10.00 C ATOM 868 CG HIS A 53 8.601 -4.679 6.662 1.00 10.00 C ATOM 869 ND1 HIS A 53 9.855 -4.114 6.760 1.00 10.00 N ATOM 870 CD2 HIS A 53 8.700 -5.729 5.789 1.00 10.00 C ATOM 871 CE1 HIS A 53 10.686 -4.803 5.960 1.00 10.00 C ATOM 872 NE2 HIS A 53 10.027 -5.806 5.351 1.00 10.00 N ATOM 0 H HIS A 53 5.497 -3.158 8.584 1.00 10.00 H new ATOM 0 HA HIS A 53 8.017 -2.197 7.578 1.00 10.00 H new ATOM 0 HB2 HIS A 53 7.452 -4.527 8.448 1.00 10.00 H new ATOM 0 HB3 HIS A 53 6.500 -4.773 6.997 1.00 10.00 H new ATOM 0 HD1 HIS A 53 10.108 -3.313 7.339 1.00 10.00 H new ATOM 0 HD2 HIS A 53 7.895 -6.384 5.490 1.00 10.00 H new ATOM 0 HE1 HIS A 53 11.735 -4.583 5.825 1.00 10.00 H new ATOM 880 N PHE A 54 5.488 -2.303 5.490 1.00 10.00 N ATOM 881 CA PHE A 54 5.030 -1.645 4.260 1.00 10.00 C ATOM 882 C PHE A 54 5.300 -0.145 4.305 1.00 10.00 C ATOM 883 O PHE A 54 5.898 0.368 3.368 1.00 10.00 O ATOM 884 CB PHE A 54 3.549 -1.970 3.992 1.00 10.00 C ATOM 885 CG PHE A 54 3.008 -1.491 2.652 1.00 10.00 C ATOM 886 CD1 PHE A 54 3.673 -1.818 1.452 1.00 10.00 C ATOM 887 CD2 PHE A 54 1.805 -0.758 2.594 1.00 10.00 C ATOM 888 CE1 PHE A 54 3.146 -1.410 0.211 1.00 10.00 C ATOM 889 CE2 PHE A 54 1.269 -0.367 1.353 1.00 10.00 C ATOM 890 CZ PHE A 54 1.943 -0.687 0.161 1.00 10.00 C ATOM 0 H PHE A 54 4.746 -2.767 6.015 1.00 10.00 H new ATOM 0 HA PHE A 54 5.603 -2.038 3.420 1.00 10.00 H new ATOM 0 HB2 PHE A 54 3.414 -3.050 4.054 1.00 10.00 H new ATOM 0 HB3 PHE A 54 2.948 -1.528 4.786 1.00 10.00 H new ATOM 0 HD1 PHE A 54 4.592 -2.385 1.485 1.00 10.00 H new ATOM 0 HD2 PHE A 54 1.292 -0.495 3.507 1.00 10.00 H new ATOM 0 HE1 PHE A 54 3.668 -1.653 -0.703 1.00 10.00 H new ATOM 0 HE2 PHE A 54 0.338 0.180 1.316 1.00 10.00 H new ATOM 0 HZ PHE A 54 1.537 -0.378 -0.791 1.00 10.00 H new ATOM 900 N ILE A 55 4.972 0.533 5.409 1.00 10.00 N ATOM 901 CA ILE A 55 5.259 1.960 5.632 1.00 10.00 C ATOM 902 C ILE A 55 6.766 2.280 5.556 1.00 10.00 C ATOM 903 O ILE A 55 7.128 3.306 4.981 1.00 10.00 O ATOM 904 CB ILE A 55 4.568 2.430 6.925 1.00 10.00 C ATOM 905 CG1 ILE A 55 3.055 2.547 6.615 1.00 10.00 C ATOM 906 CG2 ILE A 55 5.128 3.765 7.453 1.00 10.00 C ATOM 907 CD1 ILE A 55 2.191 2.755 7.855 1.00 10.00 C ATOM 0 H ILE A 55 4.488 0.097 6.194 1.00 10.00 H new ATOM 0 HA ILE A 55 4.833 2.543 4.815 1.00 10.00 H new ATOM 0 HB ILE A 55 4.755 1.706 7.718 1.00 10.00 H new ATOM 0 HG12 ILE A 55 2.897 3.379 5.929 1.00 10.00 H new ATOM 0 HG13 ILE A 55 2.727 1.643 6.102 1.00 10.00 H new ATOM 0 HG21 ILE A 55 4.602 4.045 8.366 1.00 10.00 H new ATOM 0 HG22 ILE A 55 6.191 3.655 7.666 1.00 10.00 H new ATOM 0 HG23 ILE A 55 4.988 4.541 6.701 1.00 10.00 H new ATOM 0 HD11 ILE A 55 1.144 2.828 7.561 1.00 10.00 H new ATOM 0 HD12 ILE A 55 2.319 1.912 8.534 1.00 10.00 H new ATOM 0 HD13 ILE A 55 2.492 3.674 8.358 1.00 10.00 H new ATOM 919 N GLN A 56 7.656 1.410 6.049 1.00 10.00 N ATOM 920 CA GLN A 56 9.114 1.555 5.873 1.00 10.00 C ATOM 921 C GLN A 56 9.530 1.484 4.394 1.00 10.00 C ATOM 922 O GLN A 56 10.208 2.391 3.908 1.00 10.00 O ATOM 923 CB GLN A 56 9.860 0.455 6.650 1.00 10.00 C ATOM 924 CG GLN A 56 9.837 0.623 8.178 1.00 10.00 C ATOM 925 CD GLN A 56 10.369 -0.608 8.921 1.00 10.00 C ATOM 926 OE1 GLN A 56 10.442 -1.722 8.410 1.00 10.00 O ATOM 927 NE2 GLN A 56 10.771 -0.461 10.167 1.00 10.00 N ATOM 0 H GLN A 56 7.389 0.583 6.583 1.00 10.00 H new ATOM 0 HA GLN A 56 9.381 2.539 6.260 1.00 10.00 H new ATOM 0 HB2 GLN A 56 9.422 -0.511 6.397 1.00 10.00 H new ATOM 0 HB3 GLN A 56 10.897 0.432 6.316 1.00 10.00 H new ATOM 0 HG2 GLN A 56 10.434 1.493 8.452 1.00 10.00 H new ATOM 0 HG3 GLN A 56 8.815 0.823 8.501 1.00 10.00 H new ATOM 0 HE21 GLN A 56 10.721 0.454 10.614 1.00 10.00 H new ATOM 0 HE22 GLN A 56 11.133 -1.262 10.684 1.00 10.00 H new ATOM 936 N MET A 57 9.112 0.451 3.651 1.00 10.00 N ATOM 937 CA MET A 57 9.443 0.311 2.220 1.00 10.00 C ATOM 938 C MET A 57 8.827 1.430 1.369 1.00 10.00 C ATOM 939 O MET A 57 9.472 1.963 0.466 1.00 10.00 O ATOM 940 CB MET A 57 8.993 -1.063 1.701 1.00 10.00 C ATOM 941 CG MET A 57 9.866 -2.187 2.270 1.00 10.00 C ATOM 942 SD MET A 57 9.451 -3.844 1.662 1.00 10.00 S ATOM 943 CE MET A 57 7.899 -4.116 2.556 1.00 10.00 C ATOM 0 H MET A 57 8.539 -0.308 4.018 1.00 10.00 H new ATOM 0 HA MET A 57 10.526 0.394 2.129 1.00 10.00 H new ATOM 0 HB2 MET A 57 7.952 -1.234 1.975 1.00 10.00 H new ATOM 0 HB3 MET A 57 9.043 -1.077 0.612 1.00 10.00 H new ATOM 0 HG2 MET A 57 10.908 -1.977 2.031 1.00 10.00 H new ATOM 0 HG3 MET A 57 9.781 -2.181 3.357 1.00 10.00 H new ATOM 0 HE1 MET A 57 7.545 -5.130 2.369 1.00 10.00 H new ATOM 0 HE2 MET A 57 8.066 -3.981 3.625 1.00 10.00 H new ATOM 0 HE3 MET A 57 7.151 -3.401 2.213 1.00 10.00 H new ATOM 953 N LEU A 58 7.600 1.843 1.687 1.00 10.00 N ATOM 954 CA LEU A 58 6.890 3.002 1.129 1.00 10.00 C ATOM 955 C LEU A 58 7.684 4.316 1.230 1.00 10.00 C ATOM 956 O LEU A 58 7.573 5.186 0.368 1.00 10.00 O ATOM 957 CB LEU A 58 5.570 3.139 1.916 1.00 10.00 C ATOM 958 CG LEU A 58 4.357 2.442 1.297 1.00 10.00 C ATOM 959 CD1 LEU A 58 3.206 2.458 2.303 1.00 10.00 C ATOM 960 CD2 LEU A 58 3.916 3.197 0.048 1.00 10.00 C ATOM 0 H LEU A 58 7.039 1.350 2.382 1.00 10.00 H new ATOM 0 HA LEU A 58 6.730 2.830 0.065 1.00 10.00 H new ATOM 0 HB2 LEU A 58 5.723 2.741 2.919 1.00 10.00 H new ATOM 0 HB3 LEU A 58 5.341 4.199 2.025 1.00 10.00 H new ATOM 0 HG LEU A 58 4.623 1.417 1.037 1.00 10.00 H new ATOM 0 HD11 LEU A 58 2.337 1.963 1.870 1.00 10.00 H new ATOM 0 HD12 LEU A 58 3.508 1.933 3.210 1.00 10.00 H new ATOM 0 HD13 LEU A 58 2.951 3.489 2.548 1.00 10.00 H new ATOM 0 HD21 LEU A 58 3.052 2.699 -0.392 1.00 10.00 H new ATOM 0 HD22 LEU A 58 3.649 4.219 0.316 1.00 10.00 H new ATOM 0 HD23 LEU A 58 4.732 3.213 -0.674 1.00 10.00 H new ATOM 972 N ASN A 59 8.484 4.440 2.287 1.00 10.00 N ATOM 973 CA ASN A 59 9.310 5.602 2.629 1.00 10.00 C ATOM 974 C ASN A 59 10.706 5.594 1.967 1.00 10.00 C ATOM 975 O ASN A 59 11.401 6.612 2.004 1.00 10.00 O ATOM 976 CB ASN A 59 9.409 5.684 4.169 1.00 10.00 C ATOM 977 CG ASN A 59 8.379 6.641 4.742 1.00 10.00 C ATOM 978 OD1 ASN A 59 8.579 7.847 4.807 1.00 10.00 O ATOM 979 ND2 ASN A 59 7.241 6.143 5.166 1.00 10.00 N ATOM 0 H ASN A 59 8.581 3.689 2.970 1.00 10.00 H new ATOM 0 HA ASN A 59 8.826 6.493 2.228 1.00 10.00 H new ATOM 0 HB2 ASN A 59 9.264 4.692 4.597 1.00 10.00 H new ATOM 0 HB3 ASN A 59 10.409 6.011 4.454 1.00 10.00 H new ATOM 0 HD21 ASN A 59 6.525 6.761 5.549 1.00 10.00 H new ATOM 0 HD22 ASN A 59 7.073 5.138 5.113 1.00 10.00 H new ATOM 986 N GLU A 60 11.128 4.486 1.349 1.00 10.00 N ATOM 987 CA GLU A 60 12.419 4.384 0.651 1.00 10.00 C ATOM 988 C GLU A 60 12.498 5.282 -0.611 1.00 10.00 C ATOM 989 O GLU A 60 11.468 5.514 -1.258 1.00 10.00 O ATOM 990 CB GLU A 60 12.688 2.924 0.270 1.00 10.00 C ATOM 991 CG GLU A 60 13.040 2.049 1.478 1.00 10.00 C ATOM 992 CD GLU A 60 14.404 2.417 2.097 1.00 10.00 C ATOM 993 OE1 GLU A 60 15.451 1.974 1.568 1.00 10.00 O ATOM 994 OE2 GLU A 60 14.440 3.147 3.117 1.00 10.00 O ATOM 0 H GLU A 60 10.580 3.626 1.317 1.00 10.00 H new ATOM 0 HA GLU A 60 13.183 4.741 1.341 1.00 10.00 H new ATOM 0 HB2 GLU A 60 11.807 2.514 -0.225 1.00 10.00 H new ATOM 0 HB3 GLU A 60 13.505 2.886 -0.450 1.00 10.00 H new ATOM 0 HG2 GLU A 60 12.262 2.150 2.235 1.00 10.00 H new ATOM 0 HG3 GLU A 60 13.054 1.003 1.173 1.00 10.00 H new ATOM 1001 N PRO A 61 13.701 5.769 -0.992 1.00 10.00 N ATOM 1002 CA PRO A 61 13.932 6.599 -2.177 1.00 10.00 C ATOM 1003 C PRO A 61 13.270 6.095 -3.470 1.00 10.00 C ATOM 1004 O PRO A 61 13.509 4.969 -3.922 1.00 10.00 O ATOM 1005 CB PRO A 61 15.452 6.689 -2.325 1.00 10.00 C ATOM 1006 CG PRO A 61 15.988 6.519 -0.912 1.00 10.00 C ATOM 1007 CD PRO A 61 14.933 5.671 -0.214 1.00 10.00 C ATOM 0 HA PRO A 61 13.461 7.570 -2.027 1.00 10.00 H new ATOM 0 HB2 PRO A 61 15.832 5.912 -2.989 1.00 10.00 H new ATOM 0 HB3 PRO A 61 15.753 7.647 -2.750 1.00 10.00 H new ATOM 0 HG2 PRO A 61 16.960 6.026 -0.911 1.00 10.00 H new ATOM 0 HG3 PRO A 61 16.118 7.481 -0.416 1.00 10.00 H new ATOM 0 HD2 PRO A 61 15.260 4.634 -0.144 1.00 10.00 H new ATOM 0 HD3 PRO A 61 14.771 6.023 0.805 1.00 10.00 H new ATOM 1015 N VAL A 62 12.456 6.952 -4.095 1.00 10.00 N ATOM 1016 CA VAL A 62 11.771 6.685 -5.364 1.00 10.00 C ATOM 1017 C VAL A 62 12.745 6.382 -6.511 1.00 10.00 C ATOM 1018 O VAL A 62 13.823 6.971 -6.599 1.00 10.00 O ATOM 1019 CB VAL A 62 10.841 7.857 -5.735 1.00 10.00 C ATOM 1020 CG1 VAL A 62 9.686 7.974 -4.736 1.00 10.00 C ATOM 1021 CG2 VAL A 62 11.533 9.224 -5.839 1.00 10.00 C ATOM 0 H VAL A 62 12.249 7.878 -3.721 1.00 10.00 H new ATOM 0 HA VAL A 62 11.171 5.787 -5.216 1.00 10.00 H new ATOM 0 HB VAL A 62 10.479 7.608 -6.732 1.00 10.00 H new ATOM 0 HG11 VAL A 62 9.044 8.808 -5.019 1.00 10.00 H new ATOM 0 HG12 VAL A 62 9.106 7.051 -4.741 1.00 10.00 H new ATOM 0 HG13 VAL A 62 10.085 8.146 -3.737 1.00 10.00 H new ATOM 0 HG21 VAL A 62 10.798 9.984 -6.104 1.00 10.00 H new ATOM 0 HG22 VAL A 62 11.987 9.476 -4.880 1.00 10.00 H new ATOM 0 HG23 VAL A 62 12.306 9.183 -6.607 1.00 10.00 H new ATOM 1031 N GLN A 63 12.342 5.471 -7.405 1.00 10.00 N ATOM 1032 CA GLN A 63 13.085 5.044 -8.607 1.00 10.00 C ATOM 1033 C GLN A 63 14.521 4.524 -8.343 1.00 10.00 C ATOM 1034 O GLN A 63 15.332 4.438 -9.269 1.00 10.00 O ATOM 1035 CB GLN A 63 13.034 6.158 -9.680 1.00 10.00 C ATOM 1036 CG GLN A 63 11.591 6.522 -10.074 1.00 10.00 C ATOM 1037 CD GLN A 63 11.476 7.627 -11.124 1.00 10.00 C ATOM 1038 OE1 GLN A 63 12.435 8.076 -11.742 1.00 10.00 O ATOM 1039 NE2 GLN A 63 10.277 8.116 -11.364 1.00 10.00 N ATOM 0 H GLN A 63 11.449 4.987 -7.310 1.00 10.00 H new ATOM 0 HA GLN A 63 12.573 4.161 -8.989 1.00 10.00 H new ATOM 0 HB2 GLN A 63 13.541 7.046 -9.303 1.00 10.00 H new ATOM 0 HB3 GLN A 63 13.579 5.832 -10.566 1.00 10.00 H new ATOM 0 HG2 GLN A 63 11.095 5.628 -10.451 1.00 10.00 H new ATOM 0 HG3 GLN A 63 11.051 6.832 -9.179 1.00 10.00 H new ATOM 0 HE21 GLN A 63 9.468 7.754 -10.859 1.00 10.00 H new ATOM 0 HE22 GLN A 63 10.157 8.857 -12.055 1.00 10.00 H new ATOM 1048 N GLU A 64 14.851 4.159 -7.097 1.00 10.00 N ATOM 1049 CA GLU A 64 16.204 3.743 -6.687 1.00 10.00 C ATOM 1050 C GLU A 64 16.220 2.676 -5.572 1.00 10.00 C ATOM 1051 O GLU A 64 17.111 1.823 -5.562 1.00 10.00 O ATOM 1052 CB GLU A 64 16.984 5.000 -6.254 1.00 10.00 C ATOM 1053 CG GLU A 64 18.477 4.736 -6.017 1.00 10.00 C ATOM 1054 CD GLU A 64 19.243 6.052 -5.787 1.00 10.00 C ATOM 1055 OE1 GLU A 64 19.339 6.511 -4.623 1.00 10.00 O ATOM 1056 OE2 GLU A 64 19.768 6.636 -6.768 1.00 10.00 O ATOM 0 H GLU A 64 14.177 4.143 -6.332 1.00 10.00 H new ATOM 0 HA GLU A 64 16.678 3.263 -7.543 1.00 10.00 H new ATOM 0 HB2 GLU A 64 16.875 5.768 -7.019 1.00 10.00 H new ATOM 0 HB3 GLU A 64 16.542 5.396 -5.340 1.00 10.00 H new ATOM 0 HG2 GLU A 64 18.601 4.083 -5.153 1.00 10.00 H new ATOM 0 HG3 GLU A 64 18.898 4.212 -6.875 1.00 10.00 H new ATOM 1063 N ALA A 65 15.234 2.673 -4.665 1.00 10.00 N ATOM 1064 CA ALA A 65 15.199 1.798 -3.490 1.00 10.00 C ATOM 1065 C ALA A 65 13.785 1.270 -3.162 1.00 10.00 C ATOM 1066 O ALA A 65 12.775 1.709 -3.721 1.00 10.00 O ATOM 1067 CB ALA A 65 15.800 2.587 -2.317 1.00 10.00 C ATOM 0 H ALA A 65 14.425 3.290 -4.730 1.00 10.00 H new ATOM 0 HA ALA A 65 15.783 0.900 -3.693 1.00 10.00 H new ATOM 0 HB1 ALA A 65 15.792 1.968 -1.420 1.00 10.00 H new ATOM 0 HB2 ALA A 65 16.826 2.868 -2.555 1.00 10.00 H new ATOM 0 HB3 ALA A 65 15.209 3.486 -2.143 1.00 10.00 H new ATOM 1073 N GLY A 66 13.719 0.296 -2.249 1.00 10.00 N ATOM 1074 CA GLY A 66 12.504 -0.420 -1.844 1.00 10.00 C ATOM 1075 C GLY A 66 12.812 -1.844 -1.369 1.00 10.00 C ATOM 1076 O GLY A 66 13.971 -2.197 -1.141 1.00 10.00 O ATOM 0 H GLY A 66 14.547 -0.030 -1.750 1.00 10.00 H new ATOM 0 HA2 GLY A 66 12.008 0.130 -1.044 1.00 10.00 H new ATOM 0 HA3 GLY A 66 11.809 -0.459 -2.683 1.00 10.00 H new ATOM 1080 N GLY A 67 11.781 -2.694 -1.289 1.00 10.00 N ATOM 1081 CA GLY A 67 11.920 -4.133 -1.002 1.00 10.00 C ATOM 1082 C GLY A 67 12.739 -4.933 -2.032 1.00 10.00 C ATOM 1083 O GLY A 67 13.101 -6.079 -1.771 1.00 10.00 O ATOM 0 H GLY A 67 10.813 -2.401 -1.423 1.00 10.00 H new ATOM 0 HA2 GLY A 67 12.386 -4.248 -0.023 1.00 10.00 H new ATOM 0 HA3 GLY A 67 10.924 -4.571 -0.935 1.00 10.00 H new ATOM 1087 N GLN A 68 13.053 -4.340 -3.190 1.00 10.00 N ATOM 1088 CA GLN A 68 13.852 -4.919 -4.284 1.00 10.00 C ATOM 1089 C GLN A 68 15.308 -5.307 -3.929 1.00 10.00 C ATOM 1090 O GLN A 68 15.985 -5.935 -4.747 1.00 10.00 O ATOM 1091 CB GLN A 68 13.809 -3.959 -5.490 1.00 10.00 C ATOM 1092 CG GLN A 68 14.498 -2.599 -5.251 1.00 10.00 C ATOM 1093 CD GLN A 68 14.410 -1.662 -6.459 1.00 10.00 C ATOM 1094 OE1 GLN A 68 13.511 -1.734 -7.287 1.00 10.00 O ATOM 1095 NE2 GLN A 68 15.334 -0.739 -6.618 1.00 10.00 N ATOM 0 H GLN A 68 12.741 -3.393 -3.403 1.00 10.00 H new ATOM 0 HA GLN A 68 13.388 -5.876 -4.522 1.00 10.00 H new ATOM 0 HB2 GLN A 68 14.281 -4.446 -6.343 1.00 10.00 H new ATOM 0 HB3 GLN A 68 12.768 -3.782 -5.760 1.00 10.00 H new ATOM 0 HG2 GLN A 68 14.042 -2.114 -4.388 1.00 10.00 H new ATOM 0 HG3 GLN A 68 15.546 -2.768 -5.005 1.00 10.00 H new ATOM 0 HE21 GLN A 68 16.094 -0.657 -5.943 1.00 10.00 H new ATOM 0 HE22 GLN A 68 15.290 -0.106 -7.416 1.00 10.00 H new ATOM 1104 N GLY A 69 15.807 -4.954 -2.739 1.00 10.00 N ATOM 1105 CA GLY A 69 17.153 -5.307 -2.269 1.00 10.00 C ATOM 1106 C GLY A 69 17.377 -5.059 -0.771 1.00 10.00 C ATOM 1107 O GLY A 69 16.516 -4.510 -0.078 1.00 10.00 O ATOM 0 H GLY A 69 15.277 -4.405 -2.062 1.00 10.00 H new ATOM 0 HA2 GLY A 69 17.337 -6.360 -2.484 1.00 10.00 H new ATOM 0 HA3 GLY A 69 17.886 -4.733 -2.835 1.00 10.00 H new ATOM 1111 N GLY A 70 18.544 -5.477 -0.268 1.00 10.00 N ATOM 1112 CA GLY A 70 18.900 -5.411 1.159 1.00 10.00 C ATOM 1113 C GLY A 70 20.345 -5.821 1.473 1.00 10.00 C ATOM 1114 O GLY A 70 20.596 -6.475 2.487 1.00 10.00 O ATOM 0 H GLY A 70 19.281 -5.877 -0.848 1.00 10.00 H new ATOM 0 HA2 GLY A 70 18.739 -4.393 1.514 1.00 10.00 H new ATOM 0 HA3 GLY A 70 18.223 -6.055 1.720 1.00 10.00 H new ATOM 1118 N GLY A 71 21.297 -5.487 0.591 1.00 10.00 N ATOM 1119 CA GLY A 71 22.703 -5.919 0.673 1.00 10.00 C ATOM 1120 C GLY A 71 23.571 -5.192 1.716 1.00 10.00 C ATOM 1121 O GLY A 71 24.722 -5.587 1.932 1.00 10.00 O ATOM 0 H GLY A 71 21.109 -4.896 -0.218 1.00 10.00 H new ATOM 0 HA2 GLY A 71 22.722 -6.986 0.893 1.00 10.00 H new ATOM 0 HA3 GLY A 71 23.161 -5.787 -0.307 1.00 10.00 H new ATOM 1125 N GLY A 72 23.045 -4.145 2.366 1.00 10.00 N ATOM 1126 CA GLY A 72 23.730 -3.329 3.385 1.00 10.00 C ATOM 1127 C GLY A 72 22.821 -2.296 4.056 1.00 10.00 C ATOM 1128 O GLY A 72 23.106 -1.933 5.218 1.00 10.00 O ATOM 1129 OXT GLY A 72 21.838 -1.851 3.421 1.00 10.00 O ATOM 0 H GLY A 72 22.091 -3.828 2.191 1.00 10.00 H new ATOM 0 HA2 GLY A 72 24.143 -3.988 4.149 1.00 10.00 H new ATOM 0 HA3 GLY A 72 24.571 -2.814 2.921 1.00 10.00 H new TER 1133 GLY A 72