USER MOD reduce.3.24.130724 H: found=0, std=0, add=517, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 518 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 29 SER OG : rot -39:sc= -0.678 USER MOD Set 1.2: A 58 LYS NZ :NH3+ -128:sc= -0.378 (180deg=-1.23) USER MOD Set 2.1: A 31 MET CE :methyl -153:sc= -9.69! (180deg=-9.9!) USER MOD Set 2.2: A 39 CYS SG : rot -89:sc= -1.8 USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.417 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= -0.127 USER MOD Single : A 18 GLN : amide:sc= -0.311 K(o=-0.31,f=-0.88) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=-0.038) USER MOD Single : A 21 MET CE :methyl -137:sc= -0.104 (180deg=-1.72!) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 SER OG : rot -130:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -2.86 K(o=-2.9,f=-5.1!) USER MOD Single : A 32 ASN : amide:sc= -1.91 K(o=-1.9,f=-4.8!) USER MOD Single : A 36 SER OG : rot -107:sc= -1.93! USER MOD Single : A 37 GLN : amide:sc= -1.39 K(o=-1.4,f=-0.073) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN : amide:sc= -1.4 K(o=-1.4,f=-3.3!) USER MOD Single : A 43 ASN : amide:sc= -4.34! C(o=-4.3!,f=-9.2!) USER MOD Single : A 44 ASN : amide:sc= -0.756 K(o=-0.76,f=-1.3) USER MOD Single : A 47 TYR OH : rot -60:sc= -3.39! USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot -112:sc= -1.68! USER MOD Single : A 52 GLN : amide:sc= -0.326 X(o=-0.33,f=0) USER MOD Single : A 55 THR OG1 : rot -77:sc= 0.364 USER MOD Single : A 56 HIS : no HD1:sc= -0.0295 X(o=-0.03,f=-0.016) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ -129:sc= 1.05 (180deg=-1.76!) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 2 22.924 -15.479 16.633 1.00 0.00 N ATOM 2 CA PRO A 2 23.682 -16.478 15.830 1.00 0.00 C ATOM 3 C PRO A 2 22.798 -17.175 14.794 1.00 0.00 C ATOM 4 O PRO A 2 22.057 -18.102 15.120 1.00 0.00 O ATOM 5 CB PRO A 2 24.260 -17.503 16.802 1.00 0.00 C ATOM 6 CG PRO A 2 23.859 -17.006 18.153 1.00 0.00 C ATOM 7 CD PRO A 2 22.669 -16.099 17.942 1.00 0.00 C ATOM 0 HA PRO A 2 24.470 -15.970 15.275 1.00 0.00 H new ATOM 0 HB2 PRO A 2 23.861 -18.499 16.611 1.00 0.00 H new ATOM 0 HB3 PRO A 2 25.344 -17.570 16.710 1.00 0.00 H new ATOM 0 HG2 PRO A 2 23.602 -17.836 18.811 1.00 0.00 H new ATOM 0 HG3 PRO A 2 24.679 -16.466 18.627 1.00 0.00 H new ATOM 0 HD2 PRO A 2 21.734 -16.660 17.943 1.00 0.00 H new ATOM 0 HD3 PRO A 2 22.593 -15.350 18.731 1.00 0.00 H new ATOM 17 N ALA A 3 22.884 -16.721 13.549 1.00 0.00 N ATOM 18 CA ALA A 3 22.094 -17.299 12.468 1.00 0.00 C ATOM 19 C ALA A 3 22.788 -17.116 11.121 1.00 0.00 C ATOM 20 O ALA A 3 22.635 -16.082 10.471 1.00 0.00 O ATOM 21 CB ALA A 3 20.707 -16.676 12.438 1.00 0.00 C ATOM 0 H ALA A 3 23.493 -15.954 13.263 1.00 0.00 H new ATOM 0 HA ALA A 3 21.997 -18.369 12.654 1.00 0.00 H new ATOM 0 HB1 ALA A 3 20.128 -17.116 11.626 1.00 0.00 H new ATOM 0 HB2 ALA A 3 20.203 -16.863 13.386 1.00 0.00 H new ATOM 0 HB3 ALA A 3 20.794 -15.601 12.280 1.00 0.00 H new ATOM 27 N PRO A 4 23.563 -18.123 10.682 1.00 0.00 N ATOM 28 CA PRO A 4 24.282 -18.067 9.405 1.00 0.00 C ATOM 29 C PRO A 4 23.341 -18.144 8.208 1.00 0.00 C ATOM 30 O PRO A 4 23.657 -17.652 7.125 1.00 0.00 O ATOM 31 CB PRO A 4 25.188 -19.299 9.453 1.00 0.00 C ATOM 32 CG PRO A 4 24.494 -20.245 10.370 1.00 0.00 C ATOM 33 CD PRO A 4 23.800 -19.391 11.396 1.00 0.00 C ATOM 0 HA PRO A 4 24.823 -17.129 9.282 1.00 0.00 H new ATOM 0 HB2 PRO A 4 25.319 -19.733 8.462 1.00 0.00 H new ATOM 0 HB3 PRO A 4 26.181 -19.046 9.824 1.00 0.00 H new ATOM 0 HG2 PRO A 4 23.778 -20.862 9.826 1.00 0.00 H new ATOM 0 HG3 PRO A 4 25.205 -20.923 10.842 1.00 0.00 H new ATOM 0 HD2 PRO A 4 22.867 -19.844 11.731 1.00 0.00 H new ATOM 0 HD3 PRO A 4 24.419 -19.244 12.281 1.00 0.00 H new ATOM 41 N THR A 5 22.182 -18.762 8.411 1.00 0.00 N ATOM 42 CA THR A 5 21.194 -18.903 7.348 1.00 0.00 C ATOM 43 C THR A 5 21.817 -19.537 6.107 1.00 0.00 C ATOM 44 O THR A 5 22.396 -18.845 5.270 1.00 0.00 O ATOM 45 CB THR A 5 20.598 -17.540 6.994 1.00 0.00 C ATOM 46 OG1 THR A 5 21.064 -16.542 7.884 1.00 0.00 O ATOM 47 CG2 THR A 5 19.085 -17.520 7.034 1.00 0.00 C ATOM 0 H THR A 5 21.904 -19.173 9.302 1.00 0.00 H new ATOM 0 HA THR A 5 20.400 -19.557 7.708 1.00 0.00 H new ATOM 0 HB THR A 5 20.922 -17.340 5.972 1.00 0.00 H new ATOM 0 HG1 THR A 5 20.673 -15.677 7.640 1.00 0.00 H new ATOM 0 HG21 THR A 5 18.727 -16.524 6.773 1.00 0.00 H new ATOM 0 HG22 THR A 5 18.693 -18.245 6.321 1.00 0.00 H new ATOM 0 HG23 THR A 5 18.744 -17.777 8.037 1.00 0.00 H new ATOM 55 N PRO A 6 21.703 -20.870 5.970 1.00 0.00 N ATOM 56 CA PRO A 6 22.257 -21.596 4.823 1.00 0.00 C ATOM 57 C PRO A 6 21.822 -20.993 3.492 1.00 0.00 C ATOM 58 O PRO A 6 22.618 -20.884 2.559 1.00 0.00 O ATOM 59 CB PRO A 6 21.686 -23.006 4.984 1.00 0.00 C ATOM 60 CG PRO A 6 21.419 -23.141 6.442 1.00 0.00 C ATOM 61 CD PRO A 6 21.025 -21.772 6.921 1.00 0.00 C ATOM 0 HA PRO A 6 23.346 -21.563 4.808 1.00 0.00 H new ATOM 0 HB2 PRO A 6 20.774 -23.133 4.401 1.00 0.00 H new ATOM 0 HB3 PRO A 6 22.392 -23.761 4.639 1.00 0.00 H new ATOM 0 HG2 PRO A 6 20.624 -23.863 6.628 1.00 0.00 H new ATOM 0 HG3 PRO A 6 22.304 -23.499 6.969 1.00 0.00 H new ATOM 0 HD2 PRO A 6 19.944 -21.636 6.903 1.00 0.00 H new ATOM 0 HD3 PRO A 6 21.352 -21.595 7.946 1.00 0.00 H new ATOM 69 N SER A 7 20.554 -20.603 3.411 1.00 0.00 N ATOM 70 CA SER A 7 20.013 -20.011 2.193 1.00 0.00 C ATOM 71 C SER A 7 20.396 -18.538 2.087 1.00 0.00 C ATOM 72 O SER A 7 19.894 -17.701 2.838 1.00 0.00 O ATOM 73 CB SER A 7 18.490 -20.157 2.162 1.00 0.00 C ATOM 74 OG SER A 7 18.082 -21.022 1.117 1.00 0.00 O ATOM 0 H SER A 7 19.882 -20.686 4.174 1.00 0.00 H new ATOM 0 HA SER A 7 20.439 -20.541 1.341 1.00 0.00 H new ATOM 0 HB2 SER A 7 18.139 -20.546 3.118 1.00 0.00 H new ATOM 0 HB3 SER A 7 18.030 -19.178 2.028 1.00 0.00 H new ATOM 0 HG SER A 7 17.105 -21.100 1.120 1.00 0.00 H new ATOM 80 N SER A 8 21.286 -18.229 1.151 1.00 0.00 N ATOM 81 CA SER A 8 21.736 -16.858 0.947 1.00 0.00 C ATOM 82 C SER A 8 20.551 -15.922 0.731 1.00 0.00 C ATOM 83 O SER A 8 19.815 -16.053 -0.247 1.00 0.00 O ATOM 84 CB SER A 8 22.684 -16.783 -0.252 1.00 0.00 C ATOM 85 OG SER A 8 23.457 -15.595 -0.217 1.00 0.00 O ATOM 0 H SER A 8 21.710 -18.910 0.521 1.00 0.00 H new ATOM 0 HA SER A 8 22.268 -16.540 1.844 1.00 0.00 H new ATOM 0 HB2 SER A 8 23.344 -17.650 -0.253 1.00 0.00 H new ATOM 0 HB3 SER A 8 22.109 -16.819 -1.177 1.00 0.00 H new ATOM 0 HG SER A 8 24.056 -15.571 -0.992 1.00 0.00 H new ATOM 91 N SER A 9 20.373 -14.979 1.651 1.00 0.00 N ATOM 92 CA SER A 9 19.276 -14.022 1.560 1.00 0.00 C ATOM 93 C SER A 9 19.750 -12.708 0.945 1.00 0.00 C ATOM 94 O SER A 9 20.873 -12.268 1.189 1.00 0.00 O ATOM 95 CB SER A 9 18.681 -13.764 2.946 1.00 0.00 C ATOM 96 OG SER A 9 17.328 -14.182 3.006 1.00 0.00 O ATOM 0 H SER A 9 20.973 -14.857 2.467 1.00 0.00 H new ATOM 0 HA SER A 9 18.507 -14.448 0.915 1.00 0.00 H new ATOM 0 HB2 SER A 9 19.263 -14.295 3.700 1.00 0.00 H new ATOM 0 HB3 SER A 9 18.748 -12.702 3.182 1.00 0.00 H new ATOM 0 HG SER A 9 16.971 -14.008 3.902 1.00 0.00 H new ATOM 102 N PRO A 10 18.895 -12.061 0.134 1.00 0.00 N ATOM 103 CA PRO A 10 19.232 -10.790 -0.516 1.00 0.00 C ATOM 104 C PRO A 10 19.314 -9.635 0.477 1.00 0.00 C ATOM 105 O PRO A 10 19.360 -9.847 1.688 1.00 0.00 O ATOM 106 CB PRO A 10 18.075 -10.573 -1.493 1.00 0.00 C ATOM 107 CG PRO A 10 16.932 -11.323 -0.902 1.00 0.00 C ATOM 108 CD PRO A 10 17.535 -12.515 -0.210 1.00 0.00 C ATOM 0 HA PRO A 10 20.211 -10.824 -0.994 1.00 0.00 H new ATOM 0 HB2 PRO A 10 17.840 -9.514 -1.599 1.00 0.00 H new ATOM 0 HB3 PRO A 10 18.321 -10.946 -2.487 1.00 0.00 H new ATOM 0 HG2 PRO A 10 16.379 -10.701 -0.198 1.00 0.00 H new ATOM 0 HG3 PRO A 10 16.228 -11.634 -1.674 1.00 0.00 H new ATOM 0 HD2 PRO A 10 16.968 -12.793 0.678 1.00 0.00 H new ATOM 0 HD3 PRO A 10 17.556 -13.389 -0.861 1.00 0.00 H new ATOM 116 N VAL A 11 19.334 -8.414 -0.045 1.00 0.00 N ATOM 117 CA VAL A 11 19.411 -7.225 0.796 1.00 0.00 C ATOM 118 C VAL A 11 18.487 -6.125 0.279 1.00 0.00 C ATOM 119 O VAL A 11 18.862 -5.354 -0.605 1.00 0.00 O ATOM 120 CB VAL A 11 20.849 -6.680 0.867 1.00 0.00 C ATOM 121 CG1 VAL A 11 21.723 -7.587 1.720 1.00 0.00 C ATOM 122 CG2 VAL A 11 21.431 -6.525 -0.530 1.00 0.00 C ATOM 0 H VAL A 11 19.298 -8.221 -1.046 1.00 0.00 H new ATOM 0 HA VAL A 11 19.094 -7.523 1.795 1.00 0.00 H new ATOM 0 HB VAL A 11 20.822 -5.696 1.335 1.00 0.00 H new ATOM 0 HG11 VAL A 11 22.736 -7.185 1.758 1.00 0.00 H new ATOM 0 HG12 VAL A 11 21.315 -7.641 2.730 1.00 0.00 H new ATOM 0 HG13 VAL A 11 21.745 -8.586 1.284 1.00 0.00 H new ATOM 0 HG21 VAL A 11 22.448 -6.139 -0.460 1.00 0.00 H new ATOM 0 HG22 VAL A 11 21.445 -7.494 -1.028 1.00 0.00 H new ATOM 0 HG23 VAL A 11 20.818 -5.831 -1.105 1.00 0.00 H new ATOM 132 N PRO A 12 17.262 -6.037 0.825 1.00 0.00 N ATOM 133 CA PRO A 12 16.285 -5.024 0.415 1.00 0.00 C ATOM 134 C PRO A 12 16.866 -3.614 0.446 1.00 0.00 C ATOM 135 O PRO A 12 17.834 -3.347 1.156 1.00 0.00 O ATOM 136 CB PRO A 12 15.169 -5.165 1.452 1.00 0.00 C ATOM 137 CG PRO A 12 15.272 -6.571 1.931 1.00 0.00 C ATOM 138 CD PRO A 12 16.735 -6.918 1.885 1.00 0.00 C ATOM 0 HA PRO A 12 15.951 -5.172 -0.612 1.00 0.00 H new ATOM 0 HB2 PRO A 12 15.298 -4.457 2.271 1.00 0.00 H new ATOM 0 HB3 PRO A 12 14.192 -4.968 1.011 1.00 0.00 H new ATOM 0 HG2 PRO A 12 14.880 -6.668 2.943 1.00 0.00 H new ATOM 0 HG3 PRO A 12 14.692 -7.242 1.298 1.00 0.00 H new ATOM 0 HD2 PRO A 12 17.223 -6.731 2.842 1.00 0.00 H new ATOM 0 HD3 PRO A 12 16.891 -7.970 1.648 1.00 0.00 H new ATOM 146 N THR A 13 16.267 -2.716 -0.330 1.00 0.00 N ATOM 147 CA THR A 13 16.724 -1.333 -0.392 1.00 0.00 C ATOM 148 C THR A 13 15.596 -0.370 -0.034 1.00 0.00 C ATOM 149 O THR A 13 14.809 0.027 -0.893 1.00 0.00 O ATOM 150 CB THR A 13 17.259 -1.013 -1.789 1.00 0.00 C ATOM 151 OG1 THR A 13 18.191 -1.995 -2.205 1.00 0.00 O ATOM 152 CG2 THR A 13 17.942 0.335 -1.873 1.00 0.00 C ATOM 0 H THR A 13 15.464 -2.922 -0.924 1.00 0.00 H new ATOM 0 HA THR A 13 17.527 -1.209 0.335 1.00 0.00 H new ATOM 0 HB THR A 13 16.384 -0.999 -2.439 1.00 0.00 H new ATOM 0 HG1 THR A 13 18.521 -1.774 -3.101 1.00 0.00 H new ATOM 0 HG21 THR A 13 18.298 0.500 -2.890 1.00 0.00 H new ATOM 0 HG22 THR A 13 17.234 1.119 -1.605 1.00 0.00 H new ATOM 0 HG23 THR A 13 18.787 0.358 -1.185 1.00 0.00 H new ATOM 160 N LEU A 14 15.525 0.001 1.240 1.00 0.00 N ATOM 161 CA LEU A 14 14.494 0.917 1.712 1.00 0.00 C ATOM 162 C LEU A 14 15.063 1.888 2.746 1.00 0.00 C ATOM 163 O LEU A 14 16.185 1.720 3.222 1.00 0.00 O ATOM 164 CB LEU A 14 13.319 0.131 2.304 1.00 0.00 C ATOM 165 CG LEU A 14 12.084 0.961 2.672 1.00 0.00 C ATOM 166 CD1 LEU A 14 11.610 1.801 1.497 1.00 0.00 C ATOM 167 CD2 LEU A 14 10.962 0.060 3.144 1.00 0.00 C ATOM 0 H LEU A 14 16.169 -0.319 1.964 1.00 0.00 H new ATOM 0 HA LEU A 14 14.134 1.498 0.863 1.00 0.00 H new ATOM 0 HB2 LEU A 14 13.020 -0.634 1.588 1.00 0.00 H new ATOM 0 HB3 LEU A 14 13.666 -0.387 3.198 1.00 0.00 H new ATOM 0 HG LEU A 14 12.369 1.634 3.481 1.00 0.00 H new ATOM 0 HD11 LEU A 14 10.733 2.377 1.792 1.00 0.00 H new ATOM 0 HD12 LEU A 14 12.405 2.481 1.192 1.00 0.00 H new ATOM 0 HD13 LEU A 14 11.352 1.148 0.664 1.00 0.00 H new ATOM 0 HD21 LEU A 14 10.093 0.665 3.401 1.00 0.00 H new ATOM 0 HD22 LEU A 14 10.696 -0.637 2.349 1.00 0.00 H new ATOM 0 HD23 LEU A 14 11.288 -0.498 4.022 1.00 0.00 H new ATOM 179 N SER A 15 14.281 2.908 3.075 1.00 0.00 N ATOM 180 CA SER A 15 14.685 3.926 4.038 1.00 0.00 C ATOM 181 C SER A 15 13.445 4.464 4.741 1.00 0.00 C ATOM 182 O SER A 15 12.375 3.895 4.592 1.00 0.00 O ATOM 183 CB SER A 15 15.433 5.044 3.305 1.00 0.00 C ATOM 184 OG SER A 15 16.020 4.566 2.107 1.00 0.00 O ATOM 0 H SER A 15 13.351 3.053 2.683 1.00 0.00 H new ATOM 0 HA SER A 15 15.352 3.500 4.788 1.00 0.00 H new ATOM 0 HB2 SER A 15 14.744 5.857 3.077 1.00 0.00 H new ATOM 0 HB3 SER A 15 16.207 5.454 3.954 1.00 0.00 H new ATOM 0 HG SER A 15 16.490 5.299 1.658 1.00 0.00 H new ATOM 190 N PRO A 16 13.556 5.554 5.520 1.00 0.00 N ATOM 191 CA PRO A 16 12.401 6.129 6.220 1.00 0.00 C ATOM 192 C PRO A 16 11.206 6.319 5.286 1.00 0.00 C ATOM 193 O PRO A 16 10.058 6.342 5.726 1.00 0.00 O ATOM 194 CB PRO A 16 12.930 7.476 6.714 1.00 0.00 C ATOM 195 CG PRO A 16 14.395 7.259 6.874 1.00 0.00 C ATOM 196 CD PRO A 16 14.795 6.304 5.791 1.00 0.00 C ATOM 0 HA PRO A 16 12.034 5.487 7.021 1.00 0.00 H new ATOM 0 HB2 PRO A 16 12.721 8.272 5.999 1.00 0.00 H new ATOM 0 HB3 PRO A 16 12.465 7.765 7.657 1.00 0.00 H new ATOM 0 HG2 PRO A 16 14.940 8.199 6.786 1.00 0.00 H new ATOM 0 HG3 PRO A 16 14.623 6.850 7.858 1.00 0.00 H new ATOM 0 HD2 PRO A 16 15.149 6.829 4.904 1.00 0.00 H new ATOM 0 HD3 PRO A 16 15.601 5.645 6.114 1.00 0.00 H new ATOM 204 N GLU A 17 11.490 6.432 3.986 1.00 0.00 N ATOM 205 CA GLU A 17 10.474 6.595 2.956 1.00 0.00 C ATOM 206 C GLU A 17 9.267 5.705 3.224 1.00 0.00 C ATOM 207 O GLU A 17 8.134 6.034 2.871 1.00 0.00 O ATOM 208 CB GLU A 17 11.145 6.262 1.605 1.00 0.00 C ATOM 209 CG GLU A 17 10.528 5.128 0.764 1.00 0.00 C ATOM 210 CD GLU A 17 10.711 5.351 -0.723 1.00 0.00 C ATOM 211 OE1 GLU A 17 10.397 6.463 -1.199 1.00 0.00 O ATOM 212 OE2 GLU A 17 11.168 4.416 -1.413 1.00 0.00 O ATOM 0 H GLU A 17 12.442 6.412 3.621 1.00 0.00 H new ATOM 0 HA GLU A 17 10.093 7.616 2.946 1.00 0.00 H new ATOM 0 HB2 GLU A 17 11.147 7.168 0.998 1.00 0.00 H new ATOM 0 HB3 GLU A 17 12.187 6.007 1.801 1.00 0.00 H new ATOM 0 HG2 GLU A 17 10.985 4.179 1.046 1.00 0.00 H new ATOM 0 HG3 GLU A 17 9.464 5.049 0.989 1.00 0.00 H new ATOM 219 N GLN A 18 9.542 4.571 3.825 1.00 0.00 N ATOM 220 CA GLN A 18 8.534 3.595 4.131 1.00 0.00 C ATOM 221 C GLN A 18 7.483 4.154 5.048 1.00 0.00 C ATOM 222 O GLN A 18 6.335 4.304 4.672 1.00 0.00 O ATOM 223 CB GLN A 18 9.190 2.378 4.777 1.00 0.00 C ATOM 224 CG GLN A 18 8.411 1.105 4.575 1.00 0.00 C ATOM 225 CD GLN A 18 8.750 0.035 5.596 1.00 0.00 C ATOM 226 OE1 GLN A 18 9.092 -1.092 5.239 1.00 0.00 O ATOM 227 NE2 GLN A 18 8.654 0.386 6.873 1.00 0.00 N ATOM 0 H GLN A 18 10.482 4.302 4.116 1.00 0.00 H new ATOM 0 HA GLN A 18 8.044 3.307 3.201 1.00 0.00 H new ATOM 0 HB2 GLN A 18 10.191 2.252 4.366 1.00 0.00 H new ATOM 0 HB3 GLN A 18 9.305 2.560 5.846 1.00 0.00 H new ATOM 0 HG2 GLN A 18 7.345 1.325 4.628 1.00 0.00 H new ATOM 0 HG3 GLN A 18 8.607 0.720 3.574 1.00 0.00 H new ATOM 0 HE21 GLN A 18 8.366 1.333 7.122 1.00 0.00 H new ATOM 0 HE22 GLN A 18 8.868 -0.291 7.605 1.00 0.00 H new ATOM 236 N GLN A 19 7.879 4.445 6.255 1.00 0.00 N ATOM 237 CA GLN A 19 6.944 4.971 7.233 1.00 0.00 C ATOM 238 C GLN A 19 6.359 6.290 6.766 1.00 0.00 C ATOM 239 O GLN A 19 5.270 6.674 7.191 1.00 0.00 O ATOM 240 CB GLN A 19 7.609 5.129 8.601 1.00 0.00 C ATOM 241 CG GLN A 19 8.598 6.282 8.669 1.00 0.00 C ATOM 242 CD GLN A 19 9.607 6.118 9.788 1.00 0.00 C ATOM 243 OE1 GLN A 19 10.368 5.152 9.820 1.00 0.00 O ATOM 244 NE2 GLN A 19 9.617 7.068 10.718 1.00 0.00 N ATOM 0 H GLN A 19 8.835 4.331 6.592 1.00 0.00 H new ATOM 0 HA GLN A 19 6.130 4.254 7.335 1.00 0.00 H new ATOM 0 HB2 GLN A 19 6.837 5.279 9.356 1.00 0.00 H new ATOM 0 HB3 GLN A 19 8.126 4.203 8.853 1.00 0.00 H new ATOM 0 HG2 GLN A 19 9.125 6.361 7.718 1.00 0.00 H new ATOM 0 HG3 GLN A 19 8.053 7.216 8.810 1.00 0.00 H new ATOM 0 HE21 GLN A 19 8.968 7.852 10.653 1.00 0.00 H new ATOM 0 HE22 GLN A 19 10.273 7.013 11.497 1.00 0.00 H new ATOM 253 N GLU A 20 7.056 6.971 5.863 1.00 0.00 N ATOM 254 CA GLU A 20 6.546 8.220 5.334 1.00 0.00 C ATOM 255 C GLU A 20 5.195 7.950 4.690 1.00 0.00 C ATOM 256 O GLU A 20 4.212 8.641 4.953 1.00 0.00 O ATOM 257 CB GLU A 20 7.516 8.813 4.310 1.00 0.00 C ATOM 258 CG GLU A 20 8.842 9.251 4.911 1.00 0.00 C ATOM 259 CD GLU A 20 8.883 10.736 5.212 1.00 0.00 C ATOM 260 OE1 GLU A 20 8.385 11.525 4.383 1.00 0.00 O ATOM 261 OE2 GLU A 20 9.415 11.110 6.279 1.00 0.00 O ATOM 0 H GLU A 20 7.960 6.682 5.490 1.00 0.00 H new ATOM 0 HA GLU A 20 6.438 8.944 6.142 1.00 0.00 H new ATOM 0 HB2 GLU A 20 7.706 8.074 3.531 1.00 0.00 H new ATOM 0 HB3 GLU A 20 7.044 9.670 3.828 1.00 0.00 H new ATOM 0 HG2 GLU A 20 9.022 8.693 5.830 1.00 0.00 H new ATOM 0 HG3 GLU A 20 9.649 9.001 4.222 1.00 0.00 H new ATOM 268 N MET A 21 5.167 6.926 3.842 1.00 0.00 N ATOM 269 CA MET A 21 3.971 6.528 3.148 1.00 0.00 C ATOM 270 C MET A 21 3.089 5.605 3.970 1.00 0.00 C ATOM 271 O MET A 21 1.979 5.967 4.315 1.00 0.00 O ATOM 272 CB MET A 21 4.413 5.802 1.908 1.00 0.00 C ATOM 273 CG MET A 21 4.901 6.724 0.824 1.00 0.00 C ATOM 274 SD MET A 21 6.394 7.632 1.251 1.00 0.00 S ATOM 275 CE MET A 21 6.325 8.921 0.006 1.00 0.00 C ATOM 0 H MET A 21 5.983 6.354 3.624 1.00 0.00 H new ATOM 0 HA MET A 21 3.377 7.416 2.931 1.00 0.00 H new ATOM 0 HB2 MET A 21 5.209 5.104 2.168 1.00 0.00 H new ATOM 0 HB3 MET A 21 3.582 5.210 1.526 1.00 0.00 H new ATOM 0 HG2 MET A 21 5.088 6.141 -0.077 1.00 0.00 H new ATOM 0 HG3 MET A 21 4.111 7.436 0.584 1.00 0.00 H new ATOM 0 HE1 MET A 21 7.319 9.073 -0.416 1.00 0.00 H new ATOM 0 HE2 MET A 21 5.636 8.626 -0.786 1.00 0.00 H new ATOM 0 HE3 MET A 21 5.978 9.849 0.461 1.00 0.00 H new ATOM 285 N LEU A 22 3.597 4.397 4.223 1.00 0.00 N ATOM 286 CA LEU A 22 2.888 3.342 4.956 1.00 0.00 C ATOM 287 C LEU A 22 1.767 3.863 5.856 1.00 0.00 C ATOM 288 O LEU A 22 0.670 3.309 5.864 1.00 0.00 O ATOM 289 CB LEU A 22 3.882 2.525 5.784 1.00 0.00 C ATOM 290 CG LEU A 22 4.231 1.157 5.203 1.00 0.00 C ATOM 291 CD1 LEU A 22 5.073 0.358 6.184 1.00 0.00 C ATOM 292 CD2 LEU A 22 2.963 0.398 4.842 1.00 0.00 C ATOM 0 H LEU A 22 4.530 4.118 3.919 1.00 0.00 H new ATOM 0 HA LEU A 22 2.411 2.714 4.204 1.00 0.00 H new ATOM 0 HB2 LEU A 22 4.800 3.101 5.895 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.471 2.385 6.784 1.00 0.00 H new ATOM 0 HG LEU A 22 4.816 1.305 4.295 1.00 0.00 H new ATOM 0 HD11 LEU A 22 5.311 -0.614 5.752 1.00 0.00 H new ATOM 0 HD12 LEU A 22 5.996 0.898 6.395 1.00 0.00 H new ATOM 0 HD13 LEU A 22 4.516 0.216 7.110 1.00 0.00 H new ATOM 0 HD21 LEU A 22 3.227 -0.576 4.429 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.355 0.260 5.736 1.00 0.00 H new ATOM 0 HD23 LEU A 22 2.398 0.965 4.102 1.00 0.00 H new ATOM 304 N GLN A 23 2.037 4.924 6.610 1.00 0.00 N ATOM 305 CA GLN A 23 1.022 5.488 7.490 1.00 0.00 C ATOM 306 C GLN A 23 -0.140 6.036 6.672 1.00 0.00 C ATOM 307 O GLN A 23 -1.280 5.595 6.821 1.00 0.00 O ATOM 308 CB GLN A 23 1.601 6.596 8.369 1.00 0.00 C ATOM 309 CG GLN A 23 0.543 7.336 9.172 1.00 0.00 C ATOM 310 CD GLN A 23 0.741 7.197 10.669 1.00 0.00 C ATOM 311 OE1 GLN A 23 0.169 6.310 11.303 1.00 0.00 O ATOM 312 NE2 GLN A 23 1.553 8.077 11.242 1.00 0.00 N ATOM 0 H GLN A 23 2.937 5.404 6.630 1.00 0.00 H new ATOM 0 HA GLN A 23 0.664 4.688 8.138 1.00 0.00 H new ATOM 0 HB2 GLN A 23 2.331 6.164 9.053 1.00 0.00 H new ATOM 0 HB3 GLN A 23 2.135 7.308 7.740 1.00 0.00 H new ATOM 0 HG2 GLN A 23 0.562 8.392 8.904 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -0.443 6.956 8.903 1.00 0.00 H new ATOM 0 HE21 GLN A 23 2.006 8.796 10.678 1.00 0.00 H new ATOM 0 HE22 GLN A 23 1.724 8.034 12.247 1.00 0.00 H new ATOM 321 N ALA A 24 0.159 6.994 5.799 1.00 0.00 N ATOM 322 CA ALA A 24 -0.861 7.592 4.951 1.00 0.00 C ATOM 323 C ALA A 24 -1.314 6.628 3.856 1.00 0.00 C ATOM 324 O ALA A 24 -2.228 6.933 3.092 1.00 0.00 O ATOM 325 CB ALA A 24 -0.331 8.875 4.337 1.00 0.00 C ATOM 0 H ALA A 24 1.097 7.370 5.662 1.00 0.00 H new ATOM 0 HA ALA A 24 -1.728 7.819 5.571 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -1.098 9.319 3.703 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -0.065 9.575 5.129 1.00 0.00 H new ATOM 0 HB3 ALA A 24 0.552 8.654 3.737 1.00 0.00 H new ATOM 331 N PHE A 25 -0.673 5.461 3.780 1.00 0.00 N ATOM 332 CA PHE A 25 -1.014 4.470 2.784 1.00 0.00 C ATOM 333 C PHE A 25 -1.883 3.370 3.383 1.00 0.00 C ATOM 334 O PHE A 25 -2.561 2.643 2.662 1.00 0.00 O ATOM 335 CB PHE A 25 0.256 3.873 2.193 1.00 0.00 C ATOM 336 CG PHE A 25 0.032 3.193 0.878 1.00 0.00 C ATOM 337 CD1 PHE A 25 -0.595 1.959 0.818 1.00 0.00 C ATOM 338 CD2 PHE A 25 0.445 3.791 -0.297 1.00 0.00 C ATOM 339 CE1 PHE A 25 -0.804 1.335 -0.396 1.00 0.00 C ATOM 340 CE2 PHE A 25 0.238 3.173 -1.511 1.00 0.00 C ATOM 341 CZ PHE A 25 -0.387 1.944 -1.562 1.00 0.00 C ATOM 0 H PHE A 25 0.087 5.187 4.403 1.00 0.00 H new ATOM 0 HA PHE A 25 -1.584 4.958 1.993 1.00 0.00 H new ATOM 0 HB2 PHE A 25 0.996 4.663 2.065 1.00 0.00 H new ATOM 0 HB3 PHE A 25 0.675 3.156 2.899 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -0.923 1.481 1.729 1.00 0.00 H new ATOM 0 HD2 PHE A 25 0.935 4.753 -0.264 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -1.293 0.373 -0.433 1.00 0.00 H new ATOM 0 HE2 PHE A 25 0.565 3.651 -2.423 1.00 0.00 H new ATOM 0 HZ PHE A 25 -0.550 1.459 -2.513 1.00 0.00 H new ATOM 351 N SER A 26 -1.874 3.260 4.708 1.00 0.00 N ATOM 352 CA SER A 26 -2.683 2.262 5.385 1.00 0.00 C ATOM 353 C SER A 26 -4.150 2.640 5.253 1.00 0.00 C ATOM 354 O SER A 26 -5.019 1.779 5.119 1.00 0.00 O ATOM 355 CB SER A 26 -2.269 2.151 6.858 1.00 0.00 C ATOM 356 OG SER A 26 -3.224 2.749 7.720 1.00 0.00 O ATOM 0 H SER A 26 -1.317 3.848 5.328 1.00 0.00 H new ATOM 0 HA SER A 26 -2.527 1.286 4.925 1.00 0.00 H new ATOM 0 HB2 SER A 26 -2.147 1.101 7.123 1.00 0.00 H new ATOM 0 HB3 SER A 26 -1.300 2.630 7.000 1.00 0.00 H new ATOM 0 HG SER A 26 -2.770 3.357 8.340 1.00 0.00 H new ATOM 362 N THR A 27 -4.410 3.943 5.279 1.00 0.00 N ATOM 363 CA THR A 27 -5.767 4.454 5.148 1.00 0.00 C ATOM 364 C THR A 27 -6.127 4.713 3.681 1.00 0.00 C ATOM 365 O THR A 27 -7.157 5.323 3.393 1.00 0.00 O ATOM 366 CB THR A 27 -5.928 5.742 5.957 1.00 0.00 C ATOM 367 OG1 THR A 27 -5.232 6.811 5.342 1.00 0.00 O ATOM 368 CG2 THR A 27 -5.422 5.622 7.379 1.00 0.00 C ATOM 0 H THR A 27 -3.697 4.664 5.390 1.00 0.00 H new ATOM 0 HA THR A 27 -6.447 3.696 5.537 1.00 0.00 H new ATOM 0 HB THR A 27 -7.001 5.934 5.985 1.00 0.00 H new ATOM 0 HG1 THR A 27 -5.349 7.626 5.873 1.00 0.00 H new ATOM 0 HG21 THR A 27 -5.566 6.570 7.898 1.00 0.00 H new ATOM 0 HG22 THR A 27 -5.974 4.838 7.897 1.00 0.00 H new ATOM 0 HG23 THR A 27 -4.361 5.372 7.368 1.00 0.00 H new ATOM 376 N GLN A 28 -5.285 4.247 2.753 1.00 0.00 N ATOM 377 CA GLN A 28 -5.546 4.440 1.326 1.00 0.00 C ATOM 378 C GLN A 28 -6.956 3.969 0.981 1.00 0.00 C ATOM 379 O GLN A 28 -7.904 4.755 1.013 1.00 0.00 O ATOM 380 CB GLN A 28 -4.521 3.682 0.476 1.00 0.00 C ATOM 381 CG GLN A 28 -3.473 4.562 -0.185 1.00 0.00 C ATOM 382 CD GLN A 28 -4.056 5.818 -0.805 1.00 0.00 C ATOM 383 OE1 GLN A 28 -4.618 5.783 -1.900 1.00 0.00 O ATOM 384 NE2 GLN A 28 -3.925 6.938 -0.102 1.00 0.00 N ATOM 0 H GLN A 28 -4.426 3.739 2.963 1.00 0.00 H new ATOM 0 HA GLN A 28 -5.459 5.504 1.105 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -4.016 2.950 1.106 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -5.050 3.126 -0.298 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -2.724 4.843 0.555 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -2.959 3.988 -0.956 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -3.452 6.921 0.801 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -4.298 7.815 -0.466 1.00 0.00 H new ATOM 393 N SER A 29 -7.099 2.679 0.676 1.00 0.00 N ATOM 394 CA SER A 29 -8.404 2.122 0.360 1.00 0.00 C ATOM 395 C SER A 29 -9.019 1.489 1.605 1.00 0.00 C ATOM 396 O SER A 29 -10.234 1.310 1.690 1.00 0.00 O ATOM 397 CB SER A 29 -8.316 1.080 -0.757 1.00 0.00 C ATOM 398 OG SER A 29 -9.558 0.950 -1.427 1.00 0.00 O ATOM 0 H SER A 29 -6.331 2.009 0.642 1.00 0.00 H new ATOM 0 HA SER A 29 -9.037 2.939 0.013 1.00 0.00 H new ATOM 0 HB2 SER A 29 -7.543 1.369 -1.469 1.00 0.00 H new ATOM 0 HB3 SER A 29 -8.021 0.117 -0.339 1.00 0.00 H new ATOM 0 HG SER A 29 -10.288 1.001 -0.775 1.00 0.00 H new ATOM 404 N GLY A 30 -8.163 1.147 2.571 1.00 0.00 N ATOM 405 CA GLY A 30 -8.625 0.533 3.800 1.00 0.00 C ATOM 406 C GLY A 30 -7.721 -0.594 4.274 1.00 0.00 C ATOM 407 O GLY A 30 -7.909 -1.123 5.370 1.00 0.00 O ATOM 0 H GLY A 30 -7.154 1.287 2.519 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -8.688 1.293 4.579 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -9.633 0.145 3.650 1.00 0.00 H new ATOM 411 N MET A 31 -6.752 -0.979 3.440 1.00 0.00 N ATOM 412 CA MET A 31 -5.829 -2.064 3.768 1.00 0.00 C ATOM 413 C MET A 31 -5.232 -1.909 5.165 1.00 0.00 C ATOM 414 O MET A 31 -5.555 -0.975 5.897 1.00 0.00 O ATOM 415 CB MET A 31 -4.708 -2.134 2.732 1.00 0.00 C ATOM 416 CG MET A 31 -3.703 -1.001 2.843 1.00 0.00 C ATOM 417 SD MET A 31 -2.593 -0.920 1.426 1.00 0.00 S ATOM 418 CE MET A 31 -1.996 -2.605 1.366 1.00 0.00 C ATOM 0 H MET A 31 -6.587 -0.552 2.529 1.00 0.00 H new ATOM 0 HA MET A 31 -6.402 -2.991 3.754 1.00 0.00 H new ATOM 0 HB2 MET A 31 -4.185 -3.084 2.840 1.00 0.00 H new ATOM 0 HB3 MET A 31 -5.146 -2.123 1.734 1.00 0.00 H new ATOM 0 HG2 MET A 31 -4.236 -0.055 2.937 1.00 0.00 H new ATOM 0 HG3 MET A 31 -3.116 -1.128 3.753 1.00 0.00 H new ATOM 0 HE1 MET A 31 -1.006 -2.624 0.909 1.00 0.00 H new ATOM 0 HE2 MET A 31 -1.937 -3.006 2.378 1.00 0.00 H new ATOM 0 HE3 MET A 31 -2.681 -3.213 0.774 1.00 0.00 H new ATOM 428 N ASN A 32 -4.360 -2.848 5.523 1.00 0.00 N ATOM 429 CA ASN A 32 -3.707 -2.848 6.827 1.00 0.00 C ATOM 430 C ASN A 32 -2.505 -1.910 6.854 1.00 0.00 C ATOM 431 O ASN A 32 -2.365 -1.034 5.999 1.00 0.00 O ATOM 432 CB ASN A 32 -3.272 -4.254 7.179 1.00 0.00 C ATOM 433 CG ASN A 32 -3.874 -4.767 8.462 1.00 0.00 C ATOM 434 OD1 ASN A 32 -4.757 -4.145 9.051 1.00 0.00 O ATOM 435 ND2 ASN A 32 -3.384 -5.916 8.894 1.00 0.00 N ATOM 0 H ASN A 32 -4.088 -3.625 4.921 1.00 0.00 H new ATOM 0 HA ASN A 32 -4.426 -2.489 7.564 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -3.546 -4.925 6.365 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -2.185 -4.280 7.261 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -3.738 -6.330 9.756 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -2.651 -6.389 8.365 1.00 0.00 H new ATOM 442 N LEU A 33 -1.638 -2.104 7.843 1.00 0.00 N ATOM 443 CA LEU A 33 -0.441 -1.285 7.989 1.00 0.00 C ATOM 444 C LEU A 33 0.820 -2.062 7.601 1.00 0.00 C ATOM 445 O LEU A 33 1.933 -1.570 7.781 1.00 0.00 O ATOM 446 CB LEU A 33 -0.316 -0.795 9.436 1.00 0.00 C ATOM 447 CG LEU A 33 0.228 0.628 9.611 1.00 0.00 C ATOM 448 CD1 LEU A 33 1.363 0.901 8.635 1.00 0.00 C ATOM 449 CD2 LEU A 33 -0.886 1.647 9.437 1.00 0.00 C ATOM 0 H LEU A 33 -1.743 -2.824 8.557 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.537 -0.432 7.317 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.299 -0.849 9.905 1.00 0.00 H new ATOM 0 HB3 LEU A 33 0.334 -1.482 9.978 1.00 0.00 H new ATOM 0 HG LEU A 33 0.625 0.719 10.622 1.00 0.00 H new ATOM 0 HD11 LEU A 33 1.731 1.917 8.780 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.173 0.193 8.811 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.999 0.789 7.614 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.483 2.652 9.564 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.314 1.551 8.439 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.661 1.470 10.183 1.00 0.00 H new ATOM 461 N GLU A 34 0.650 -3.277 7.076 1.00 0.00 N ATOM 462 CA GLU A 34 1.793 -4.096 6.685 1.00 0.00 C ATOM 463 C GLU A 34 1.743 -4.477 5.210 1.00 0.00 C ATOM 464 O GLU A 34 2.784 -4.655 4.578 1.00 0.00 O ATOM 465 CB GLU A 34 1.864 -5.357 7.548 1.00 0.00 C ATOM 466 CG GLU A 34 1.821 -5.077 9.041 1.00 0.00 C ATOM 467 CD GLU A 34 3.189 -5.156 9.688 1.00 0.00 C ATOM 468 OE1 GLU A 34 4.199 -5.064 8.957 1.00 0.00 O ATOM 469 OE2 GLU A 34 3.253 -5.308 10.927 1.00 0.00 O ATOM 0 H GLU A 34 -0.259 -3.710 6.914 1.00 0.00 H new ATOM 0 HA GLU A 34 2.690 -3.498 6.843 1.00 0.00 H new ATOM 0 HB2 GLU A 34 1.034 -6.013 7.286 1.00 0.00 H new ATOM 0 HB3 GLU A 34 2.782 -5.896 7.314 1.00 0.00 H new ATOM 0 HG2 GLU A 34 1.400 -4.086 9.209 1.00 0.00 H new ATOM 0 HG3 GLU A 34 1.154 -5.792 9.522 1.00 0.00 H new ATOM 476 N TRP A 35 0.542 -4.577 4.652 1.00 0.00 N ATOM 477 CA TRP A 35 0.408 -4.912 3.239 1.00 0.00 C ATOM 478 C TRP A 35 0.606 -3.659 2.389 1.00 0.00 C ATOM 479 O TRP A 35 0.894 -3.743 1.195 1.00 0.00 O ATOM 480 CB TRP A 35 -0.949 -5.553 2.939 1.00 0.00 C ATOM 481 CG TRP A 35 -1.407 -6.514 3.984 1.00 0.00 C ATOM 482 CD1 TRP A 35 -1.830 -6.236 5.245 1.00 0.00 C ATOM 483 CD2 TRP A 35 -1.484 -7.916 3.838 1.00 0.00 C ATOM 484 NE1 TRP A 35 -2.183 -7.387 5.891 1.00 0.00 N ATOM 485 CE2 TRP A 35 -1.967 -8.444 5.045 1.00 0.00 C ATOM 486 CE3 TRP A 35 -1.188 -8.765 2.793 1.00 0.00 C ATOM 487 CZ2 TRP A 35 -2.158 -9.807 5.230 1.00 0.00 C ATOM 488 CZ3 TRP A 35 -1.374 -10.125 2.966 1.00 0.00 C ATOM 489 CH2 TRP A 35 -1.855 -10.635 4.182 1.00 0.00 C ATOM 0 H TRP A 35 -0.339 -4.434 5.146 1.00 0.00 H new ATOM 0 HA TRP A 35 1.177 -5.642 2.989 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -1.696 -4.766 2.830 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -0.891 -6.072 1.982 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -1.880 -5.247 5.675 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -2.546 -7.449 6.842 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -0.818 -8.376 1.856 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -2.531 -10.199 6.165 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -1.146 -10.802 2.156 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -1.989 -11.701 4.293 1.00 0.00 H new ATOM 500 N SER A 36 0.459 -2.494 3.023 1.00 0.00 N ATOM 501 CA SER A 36 0.627 -1.218 2.345 1.00 0.00 C ATOM 502 C SER A 36 2.087 -0.993 1.955 1.00 0.00 C ATOM 503 O SER A 36 2.374 -0.391 0.920 1.00 0.00 O ATOM 504 CB SER A 36 0.152 -0.078 3.250 1.00 0.00 C ATOM 505 OG SER A 36 0.411 -0.368 4.613 1.00 0.00 O ATOM 0 H SER A 36 0.222 -2.414 4.012 1.00 0.00 H new ATOM 0 HA SER A 36 0.026 -1.235 1.436 1.00 0.00 H new ATOM 0 HB2 SER A 36 0.656 0.847 2.970 1.00 0.00 H new ATOM 0 HB3 SER A 36 -0.916 0.084 3.106 1.00 0.00 H new ATOM 0 HG SER A 36 -0.431 -0.577 5.069 1.00 0.00 H new ATOM 511 N GLN A 37 3.008 -1.472 2.790 1.00 0.00 N ATOM 512 CA GLN A 37 4.433 -1.307 2.523 1.00 0.00 C ATOM 513 C GLN A 37 4.834 -2.001 1.222 1.00 0.00 C ATOM 514 O GLN A 37 5.709 -1.523 0.500 1.00 0.00 O ATOM 515 CB GLN A 37 5.269 -1.832 3.700 1.00 0.00 C ATOM 516 CG GLN A 37 5.450 -3.343 3.723 1.00 0.00 C ATOM 517 CD GLN A 37 6.869 -3.771 3.393 1.00 0.00 C ATOM 518 OE1 GLN A 37 7.366 -4.765 3.922 1.00 0.00 O ATOM 519 NE2 GLN A 37 7.531 -3.023 2.515 1.00 0.00 N ATOM 0 H GLN A 37 2.793 -1.974 3.651 1.00 0.00 H new ATOM 0 HA GLN A 37 4.632 -0.242 2.408 1.00 0.00 H new ATOM 0 HB2 GLN A 37 6.252 -1.362 3.669 1.00 0.00 H new ATOM 0 HB3 GLN A 37 4.796 -1.521 4.632 1.00 0.00 H new ATOM 0 HG2 GLN A 37 5.181 -3.721 4.709 1.00 0.00 H new ATOM 0 HG3 GLN A 37 4.763 -3.798 3.009 1.00 0.00 H new ATOM 0 HE21 GLN A 37 7.082 -2.207 2.099 1.00 0.00 H new ATOM 0 HE22 GLN A 37 8.488 -3.266 2.257 1.00 0.00 H new ATOM 528 N LYS A 38 4.186 -3.123 0.924 1.00 0.00 N ATOM 529 CA LYS A 38 4.477 -3.870 -0.295 1.00 0.00 C ATOM 530 C LYS A 38 3.882 -3.165 -1.502 1.00 0.00 C ATOM 531 O LYS A 38 4.463 -3.168 -2.587 1.00 0.00 O ATOM 532 CB LYS A 38 3.933 -5.295 -0.195 1.00 0.00 C ATOM 533 CG LYS A 38 4.602 -6.271 -1.150 1.00 0.00 C ATOM 534 CD LYS A 38 4.331 -7.713 -0.754 1.00 0.00 C ATOM 535 CE LYS A 38 4.069 -8.585 -1.970 1.00 0.00 C ATOM 536 NZ LYS A 38 4.364 -10.020 -1.700 1.00 0.00 N ATOM 0 H LYS A 38 3.458 -3.534 1.508 1.00 0.00 H new ATOM 0 HA LYS A 38 5.559 -3.920 -0.417 1.00 0.00 H new ATOM 0 HB2 LYS A 38 4.062 -5.653 0.826 1.00 0.00 H new ATOM 0 HB3 LYS A 38 2.862 -5.281 -0.395 1.00 0.00 H new ATOM 0 HG2 LYS A 38 4.239 -6.097 -2.163 1.00 0.00 H new ATOM 0 HG3 LYS A 38 5.677 -6.092 -1.161 1.00 0.00 H new ATOM 0 HD2 LYS A 38 5.184 -8.106 -0.200 1.00 0.00 H new ATOM 0 HD3 LYS A 38 3.471 -7.752 -0.085 1.00 0.00 H new ATOM 0 HE2 LYS A 38 3.028 -8.480 -2.274 1.00 0.00 H new ATOM 0 HE3 LYS A 38 4.681 -8.239 -2.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 4.172 -10.581 -2.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 5.364 -10.125 -1.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 3.762 -10.358 -0.922 1.00 0.00 H new ATOM 550 N CYS A 39 2.729 -2.541 -1.301 1.00 0.00 N ATOM 551 CA CYS A 39 2.066 -1.811 -2.368 1.00 0.00 C ATOM 552 C CYS A 39 2.900 -0.596 -2.753 1.00 0.00 C ATOM 553 O CYS A 39 2.884 -0.150 -3.900 1.00 0.00 O ATOM 554 CB CYS A 39 0.670 -1.373 -1.927 1.00 0.00 C ATOM 555 SG CYS A 39 -0.529 -2.722 -1.830 1.00 0.00 S ATOM 0 H CYS A 39 2.235 -2.527 -0.409 1.00 0.00 H new ATOM 0 HA CYS A 39 1.964 -2.465 -3.234 1.00 0.00 H new ATOM 0 HB2 CYS A 39 0.742 -0.894 -0.950 1.00 0.00 H new ATOM 0 HB3 CYS A 39 0.300 -0.621 -2.624 1.00 0.00 H new ATOM 0 HG CYS A 39 -1.113 -2.867 -2.982 1.00 0.00 H new ATOM 561 N LEU A 40 3.635 -0.071 -1.776 1.00 0.00 N ATOM 562 CA LEU A 40 4.487 1.090 -1.991 1.00 0.00 C ATOM 563 C LEU A 40 5.915 0.685 -2.321 1.00 0.00 C ATOM 564 O LEU A 40 6.834 1.496 -2.241 1.00 0.00 O ATOM 565 CB LEU A 40 4.501 1.962 -0.752 1.00 0.00 C ATOM 566 CG LEU A 40 3.203 2.695 -0.468 1.00 0.00 C ATOM 567 CD1 LEU A 40 2.915 2.680 1.000 1.00 0.00 C ATOM 568 CD2 LEU A 40 3.291 4.117 -0.965 1.00 0.00 C ATOM 0 H LEU A 40 3.656 -0.435 -0.824 1.00 0.00 H new ATOM 0 HA LEU A 40 4.077 1.642 -2.837 1.00 0.00 H new ATOM 0 HB2 LEU A 40 4.745 1.340 0.109 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.301 2.696 -0.852 1.00 0.00 H new ATOM 0 HG LEU A 40 2.391 2.189 -0.991 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.982 3.209 1.193 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.826 1.649 1.343 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.728 3.171 1.535 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.354 4.634 -0.756 1.00 0.00 H new ATOM 0 HD22 LEU A 40 4.109 4.629 -0.459 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.473 4.116 -2.040 1.00 0.00 H new ATOM 580 N GLN A 41 6.102 -0.569 -2.682 1.00 0.00 N ATOM 581 CA GLN A 41 7.427 -1.062 -3.023 1.00 0.00 C ATOM 582 C GLN A 41 7.506 -1.411 -4.507 1.00 0.00 C ATOM 583 O GLN A 41 8.591 -1.454 -5.088 1.00 0.00 O ATOM 584 CB GLN A 41 7.786 -2.280 -2.171 1.00 0.00 C ATOM 585 CG GLN A 41 8.056 -1.944 -0.713 1.00 0.00 C ATOM 586 CD GLN A 41 9.525 -2.040 -0.355 1.00 0.00 C ATOM 587 OE1 GLN A 41 10.081 -1.147 0.284 1.00 0.00 O ATOM 588 NE2 GLN A 41 10.165 -3.129 -0.768 1.00 0.00 N ATOM 0 H GLN A 41 5.359 -1.264 -2.747 1.00 0.00 H new ATOM 0 HA GLN A 41 8.147 -0.271 -2.815 1.00 0.00 H new ATOM 0 HB2 GLN A 41 6.972 -3.003 -2.224 1.00 0.00 H new ATOM 0 HB3 GLN A 41 8.668 -2.762 -2.594 1.00 0.00 H new ATOM 0 HG2 GLN A 41 7.700 -0.935 -0.505 1.00 0.00 H new ATOM 0 HG3 GLN A 41 7.486 -2.621 -0.077 1.00 0.00 H new ATOM 0 HE21 GLN A 41 9.665 -3.845 -1.295 1.00 0.00 H new ATOM 0 HE22 GLN A 41 11.156 -3.249 -0.558 1.00 0.00 H new ATOM 597 N ASP A 42 6.348 -1.647 -5.122 1.00 0.00 N ATOM 598 CA ASP A 42 6.290 -1.979 -6.539 1.00 0.00 C ATOM 599 C ASP A 42 6.316 -0.710 -7.386 1.00 0.00 C ATOM 600 O ASP A 42 6.801 -0.715 -8.517 1.00 0.00 O ATOM 601 CB ASP A 42 5.027 -2.785 -6.846 1.00 0.00 C ATOM 602 CG ASP A 42 5.206 -4.266 -6.575 1.00 0.00 C ATOM 603 OD1 ASP A 42 4.990 -4.689 -5.420 1.00 0.00 O ATOM 604 OD2 ASP A 42 5.563 -5.004 -7.519 1.00 0.00 O ATOM 0 H ASP A 42 5.440 -1.614 -4.659 1.00 0.00 H new ATOM 0 HA ASP A 42 7.163 -2.584 -6.785 1.00 0.00 H new ATOM 0 HB2 ASP A 42 4.202 -2.405 -6.244 1.00 0.00 H new ATOM 0 HB3 ASP A 42 4.752 -2.640 -7.891 1.00 0.00 H new ATOM 609 N ASN A 43 5.791 0.377 -6.826 1.00 0.00 N ATOM 610 CA ASN A 43 5.756 1.657 -7.526 1.00 0.00 C ATOM 611 C ASN A 43 6.874 2.590 -7.052 1.00 0.00 C ATOM 612 O ASN A 43 7.087 3.653 -7.634 1.00 0.00 O ATOM 613 CB ASN A 43 4.391 2.319 -7.348 1.00 0.00 C ATOM 614 CG ASN A 43 3.298 1.573 -8.088 1.00 0.00 C ATOM 615 OD1 ASN A 43 2.707 2.091 -9.036 1.00 0.00 O ATOM 616 ND2 ASN A 43 3.023 0.348 -7.657 1.00 0.00 N ATOM 0 H ASN A 43 5.385 0.397 -5.891 1.00 0.00 H new ATOM 0 HA ASN A 43 5.919 1.463 -8.586 1.00 0.00 H new ATOM 0 HB2 ASN A 43 4.145 2.364 -6.287 1.00 0.00 H new ATOM 0 HB3 ASN A 43 4.437 3.347 -7.708 1.00 0.00 H new ATOM 0 HD21 ASN A 43 2.297 -0.203 -8.115 1.00 0.00 H new ATOM 0 HD22 ASN A 43 3.538 -0.042 -6.868 1.00 0.00 H new ATOM 623 N ASN A 44 7.603 2.173 -6.010 1.00 0.00 N ATOM 624 CA ASN A 44 8.723 2.947 -5.469 1.00 0.00 C ATOM 625 C ASN A 44 8.289 4.013 -4.468 1.00 0.00 C ATOM 626 O ASN A 44 8.949 5.045 -4.340 1.00 0.00 O ATOM 627 CB ASN A 44 9.542 3.597 -6.589 1.00 0.00 C ATOM 628 CG ASN A 44 10.901 4.068 -6.111 1.00 0.00 C ATOM 629 OD1 ASN A 44 11.090 5.245 -5.804 1.00 0.00 O ATOM 630 ND2 ASN A 44 11.858 3.150 -6.046 1.00 0.00 N ATOM 0 H ASN A 44 7.433 1.294 -5.521 1.00 0.00 H new ATOM 0 HA ASN A 44 9.344 2.229 -4.933 1.00 0.00 H new ATOM 0 HB2 ASN A 44 9.673 2.882 -7.401 1.00 0.00 H new ATOM 0 HB3 ASN A 44 8.989 4.444 -6.995 1.00 0.00 H new ATOM 0 HD21 ASN A 44 12.793 3.409 -5.732 1.00 0.00 H new ATOM 0 HD22 ASN A 44 11.658 2.185 -6.310 1.00 0.00 H new ATOM 637 N TRP A 45 7.219 3.756 -3.721 1.00 0.00 N ATOM 638 CA TRP A 45 6.777 4.696 -2.705 1.00 0.00 C ATOM 639 C TRP A 45 6.359 6.046 -3.267 1.00 0.00 C ATOM 640 O TRP A 45 6.455 7.061 -2.577 1.00 0.00 O ATOM 641 CB TRP A 45 7.895 4.869 -1.687 1.00 0.00 C ATOM 642 CG TRP A 45 8.230 3.570 -1.045 1.00 0.00 C ATOM 643 CD1 TRP A 45 9.148 2.648 -1.459 1.00 0.00 C ATOM 644 CD2 TRP A 45 7.598 3.023 0.103 1.00 0.00 C ATOM 645 NE1 TRP A 45 9.116 1.560 -0.627 1.00 0.00 N ATOM 646 CE2 TRP A 45 8.172 1.774 0.340 1.00 0.00 C ATOM 647 CE3 TRP A 45 6.600 3.476 0.957 1.00 0.00 C ATOM 648 CZ2 TRP A 45 7.775 0.976 1.392 1.00 0.00 C ATOM 649 CZ3 TRP A 45 6.203 2.682 2.001 1.00 0.00 C ATOM 650 CH2 TRP A 45 6.790 1.447 2.213 1.00 0.00 C ATOM 0 H TRP A 45 6.650 2.913 -3.801 1.00 0.00 H new ATOM 0 HA TRP A 45 5.884 4.282 -2.237 1.00 0.00 H new ATOM 0 HB2 TRP A 45 8.779 5.276 -2.177 1.00 0.00 H new ATOM 0 HB3 TRP A 45 7.592 5.588 -0.926 1.00 0.00 H new ATOM 0 HD1 TRP A 45 9.800 2.759 -2.313 1.00 0.00 H new ATOM 0 HE1 TRP A 45 9.700 0.728 -0.714 1.00 0.00 H new ATOM 0 HE3 TRP A 45 6.143 4.442 0.800 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 8.228 0.010 1.561 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 5.423 3.024 2.666 1.00 0.00 H new ATOM 0 HH2 TRP A 45 6.462 0.842 3.046 1.00 0.00 H new ATOM 661 N ASP A 46 5.857 6.066 -4.494 1.00 0.00 N ATOM 662 CA ASP A 46 5.395 7.318 -5.073 1.00 0.00 C ATOM 663 C ASP A 46 4.285 7.866 -4.198 1.00 0.00 C ATOM 664 O ASP A 46 4.218 9.063 -3.922 1.00 0.00 O ATOM 665 CB ASP A 46 4.898 7.107 -6.506 1.00 0.00 C ATOM 666 CG ASP A 46 5.078 8.343 -7.367 1.00 0.00 C ATOM 667 OD1 ASP A 46 4.182 9.213 -7.351 1.00 0.00 O ATOM 668 OD2 ASP A 46 6.115 8.439 -8.057 1.00 0.00 O ATOM 0 H ASP A 46 5.761 5.248 -5.096 1.00 0.00 H new ATOM 0 HA ASP A 46 6.220 8.029 -5.117 1.00 0.00 H new ATOM 0 HB2 ASP A 46 5.436 6.273 -6.955 1.00 0.00 H new ATOM 0 HB3 ASP A 46 3.843 6.832 -6.485 1.00 0.00 H new ATOM 673 N TYR A 47 3.434 6.946 -3.758 1.00 0.00 N ATOM 674 CA TYR A 47 2.302 7.226 -2.884 1.00 0.00 C ATOM 675 C TYR A 47 1.047 7.502 -3.682 1.00 0.00 C ATOM 676 O TYR A 47 -0.050 7.084 -3.312 1.00 0.00 O ATOM 677 CB TYR A 47 2.567 8.392 -1.940 1.00 0.00 C ATOM 678 CG TYR A 47 1.484 8.541 -0.907 1.00 0.00 C ATOM 679 CD1 TYR A 47 1.496 7.772 0.245 1.00 0.00 C ATOM 680 CD2 TYR A 47 0.446 9.444 -1.090 1.00 0.00 C ATOM 681 CE1 TYR A 47 0.506 7.899 1.192 1.00 0.00 C ATOM 682 CE2 TYR A 47 -0.551 9.578 -0.146 1.00 0.00 C ATOM 683 CZ TYR A 47 -0.517 8.804 0.995 1.00 0.00 C ATOM 684 OH TYR A 47 -1.510 8.935 1.937 1.00 0.00 O ATOM 0 H TYR A 47 3.515 5.960 -4.006 1.00 0.00 H new ATOM 0 HA TYR A 47 2.158 6.329 -2.281 1.00 0.00 H new ATOM 0 HB2 TYR A 47 3.525 8.244 -1.442 1.00 0.00 H new ATOM 0 HB3 TYR A 47 2.647 9.314 -2.516 1.00 0.00 H new ATOM 0 HD1 TYR A 47 2.294 7.062 0.402 1.00 0.00 H new ATOM 0 HD2 TYR A 47 0.418 10.050 -1.984 1.00 0.00 H new ATOM 0 HE1 TYR A 47 0.529 7.293 2.086 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -1.353 10.285 -0.300 1.00 0.00 H new ATOM 0 HH TYR A 47 -1.971 8.077 2.048 1.00 0.00 H new ATOM 694 N THR A 48 1.223 8.203 -4.779 1.00 0.00 N ATOM 695 CA THR A 48 0.112 8.540 -5.652 1.00 0.00 C ATOM 696 C THR A 48 -0.014 7.487 -6.740 1.00 0.00 C ATOM 697 O THR A 48 -1.114 7.064 -7.094 1.00 0.00 O ATOM 698 CB THR A 48 0.314 9.923 -6.273 1.00 0.00 C ATOM 699 OG1 THR A 48 0.612 10.883 -5.274 1.00 0.00 O ATOM 700 CG2 THR A 48 -0.894 10.417 -7.039 1.00 0.00 C ATOM 0 H THR A 48 2.128 8.554 -5.092 1.00 0.00 H new ATOM 0 HA THR A 48 -0.806 8.563 -5.064 1.00 0.00 H new ATOM 0 HB THR A 48 1.144 9.808 -6.970 1.00 0.00 H new ATOM 0 HG1 THR A 48 0.739 11.761 -5.691 1.00 0.00 H new ATOM 0 HG21 THR A 48 -0.684 11.403 -7.454 1.00 0.00 H new ATOM 0 HG22 THR A 48 -1.120 9.723 -7.849 1.00 0.00 H new ATOM 0 HG23 THR A 48 -1.750 10.481 -6.367 1.00 0.00 H new ATOM 708 N ARG A 49 1.134 7.051 -7.246 1.00 0.00 N ATOM 709 CA ARG A 49 1.179 6.025 -8.274 1.00 0.00 C ATOM 710 C ARG A 49 1.153 4.646 -7.628 1.00 0.00 C ATOM 711 O ARG A 49 0.715 3.670 -8.238 1.00 0.00 O ATOM 712 CB ARG A 49 2.433 6.190 -9.138 1.00 0.00 C ATOM 713 CG ARG A 49 2.697 5.020 -10.075 1.00 0.00 C ATOM 714 CD ARG A 49 1.431 4.583 -10.796 1.00 0.00 C ATOM 715 NE ARG A 49 1.642 4.438 -12.233 1.00 0.00 N ATOM 716 CZ ARG A 49 0.791 3.818 -13.044 1.00 0.00 C ATOM 717 NH1 ARG A 49 -0.324 3.289 -12.559 1.00 0.00 N ATOM 718 NH2 ARG A 49 1.052 3.728 -14.341 1.00 0.00 N ATOM 0 H ARG A 49 2.049 7.396 -6.957 1.00 0.00 H new ATOM 0 HA ARG A 49 0.305 6.129 -8.917 1.00 0.00 H new ATOM 0 HB2 ARG A 49 2.337 7.101 -9.729 1.00 0.00 H new ATOM 0 HB3 ARG A 49 3.296 6.322 -8.486 1.00 0.00 H new ATOM 0 HG2 ARG A 49 3.454 5.303 -10.807 1.00 0.00 H new ATOM 0 HG3 ARG A 49 3.100 4.182 -9.507 1.00 0.00 H new ATOM 0 HD2 ARG A 49 1.087 3.635 -10.383 1.00 0.00 H new ATOM 0 HD3 ARG A 49 0.642 5.313 -10.617 1.00 0.00 H new ATOM 0 HE ARG A 49 2.490 4.835 -12.637 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -0.530 3.358 -11.562 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -0.976 2.813 -13.183 1.00 0.00 H new ATOM 0 HH21 ARG A 49 1.908 4.135 -14.718 1.00 0.00 H new ATOM 0 HH22 ARG A 49 0.397 3.252 -14.961 1.00 0.00 H new ATOM 732 N SER A 50 1.608 4.573 -6.377 1.00 0.00 N ATOM 733 CA SER A 50 1.612 3.318 -5.643 1.00 0.00 C ATOM 734 C SER A 50 0.186 2.918 -5.320 1.00 0.00 C ATOM 735 O SER A 50 -0.323 1.939 -5.854 1.00 0.00 O ATOM 736 CB SER A 50 2.439 3.443 -4.360 1.00 0.00 C ATOM 737 OG SER A 50 2.084 2.444 -3.416 1.00 0.00 O ATOM 0 H SER A 50 1.977 5.369 -5.856 1.00 0.00 H new ATOM 0 HA SER A 50 2.069 2.546 -6.262 1.00 0.00 H new ATOM 0 HB2 SER A 50 3.499 3.360 -4.599 1.00 0.00 H new ATOM 0 HB3 SER A 50 2.288 4.430 -3.922 1.00 0.00 H new ATOM 0 HG SER A 50 1.651 2.863 -2.643 1.00 0.00 H new ATOM 743 N ALA A 51 -0.462 3.691 -4.454 1.00 0.00 N ATOM 744 CA ALA A 51 -1.845 3.417 -4.083 1.00 0.00 C ATOM 745 C ALA A 51 -2.717 3.200 -5.321 1.00 0.00 C ATOM 746 O ALA A 51 -3.757 2.553 -5.254 1.00 0.00 O ATOM 747 CB ALA A 51 -2.408 4.545 -3.234 1.00 0.00 C ATOM 0 H ALA A 51 -0.054 4.507 -3.999 1.00 0.00 H new ATOM 0 HA ALA A 51 -1.855 2.499 -3.495 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -3.441 4.320 -2.968 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -1.814 4.648 -2.326 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -2.373 5.477 -3.798 1.00 0.00 H new ATOM 753 N GLN A 52 -2.298 3.741 -6.458 1.00 0.00 N ATOM 754 CA GLN A 52 -3.069 3.577 -7.685 1.00 0.00 C ATOM 755 C GLN A 52 -3.065 2.120 -8.129 1.00 0.00 C ATOM 756 O GLN A 52 -4.115 1.549 -8.422 1.00 0.00 O ATOM 757 CB GLN A 52 -2.515 4.473 -8.794 1.00 0.00 C ATOM 758 CG GLN A 52 -3.258 5.791 -8.940 1.00 0.00 C ATOM 759 CD GLN A 52 -4.357 5.729 -9.981 1.00 0.00 C ATOM 760 OE1 GLN A 52 -4.277 6.378 -11.024 1.00 0.00 O ATOM 761 NE2 GLN A 52 -5.393 4.946 -9.702 1.00 0.00 N ATOM 0 H GLN A 52 -1.443 4.288 -6.557 1.00 0.00 H new ATOM 0 HA GLN A 52 -4.098 3.875 -7.483 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -1.464 4.679 -8.592 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -2.558 3.934 -9.741 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -3.689 6.069 -7.978 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -2.550 6.575 -9.211 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -5.418 4.426 -8.825 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -6.164 4.865 -10.365 1.00 0.00 H new ATOM 770 N ALA A 53 -1.884 1.518 -8.159 1.00 0.00 N ATOM 771 CA ALA A 53 -1.754 0.119 -8.549 1.00 0.00 C ATOM 772 C ALA A 53 -2.250 -0.799 -7.438 1.00 0.00 C ATOM 773 O ALA A 53 -2.593 -1.956 -7.680 1.00 0.00 O ATOM 774 CB ALA A 53 -0.308 -0.196 -8.878 1.00 0.00 C ATOM 0 H ALA A 53 -1.004 1.974 -7.919 1.00 0.00 H new ATOM 0 HA ALA A 53 -2.367 -0.051 -9.434 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -0.221 -1.243 -9.168 1.00 0.00 H new ATOM 0 HB2 ALA A 53 0.024 0.437 -9.700 1.00 0.00 H new ATOM 0 HB3 ALA A 53 0.313 -0.009 -8.002 1.00 0.00 H new ATOM 780 N PHE A 54 -2.287 -0.270 -6.221 1.00 0.00 N ATOM 781 CA PHE A 54 -2.741 -1.025 -5.071 1.00 0.00 C ATOM 782 C PHE A 54 -4.243 -1.241 -5.164 1.00 0.00 C ATOM 783 O PHE A 54 -4.739 -2.312 -4.828 1.00 0.00 O ATOM 784 CB PHE A 54 -2.339 -0.291 -3.770 1.00 0.00 C ATOM 785 CG PHE A 54 -3.421 -0.154 -2.719 1.00 0.00 C ATOM 786 CD1 PHE A 54 -3.667 -1.178 -1.818 1.00 0.00 C ATOM 787 CD2 PHE A 54 -4.189 1.000 -2.637 1.00 0.00 C ATOM 788 CE1 PHE A 54 -4.652 -1.049 -0.859 1.00 0.00 C ATOM 789 CE2 PHE A 54 -5.172 1.132 -1.679 1.00 0.00 C ATOM 790 CZ PHE A 54 -5.400 0.110 -0.791 1.00 0.00 C ATOM 0 H PHE A 54 -2.005 0.687 -6.009 1.00 0.00 H new ATOM 0 HA PHE A 54 -2.265 -2.005 -5.055 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -1.495 -0.818 -3.326 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -1.989 0.707 -4.034 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -3.083 -2.085 -1.866 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -4.014 1.806 -3.334 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -4.837 -1.854 -0.163 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -5.760 2.036 -1.627 1.00 0.00 H new ATOM 0 HZ PHE A 54 -6.166 0.213 -0.037 1.00 0.00 H new ATOM 800 N THR A 55 -4.962 -0.219 -5.624 1.00 0.00 N ATOM 801 CA THR A 55 -6.405 -0.325 -5.747 1.00 0.00 C ATOM 802 C THR A 55 -6.782 -1.541 -6.577 1.00 0.00 C ATOM 803 O THR A 55 -7.610 -2.353 -6.165 1.00 0.00 O ATOM 804 CB THR A 55 -6.996 0.934 -6.365 1.00 0.00 C ATOM 805 OG1 THR A 55 -6.870 0.911 -7.776 1.00 0.00 O ATOM 806 CG2 THR A 55 -6.356 2.210 -5.864 1.00 0.00 C ATOM 0 H THR A 55 -4.571 0.678 -5.913 1.00 0.00 H new ATOM 0 HA THR A 55 -6.818 -0.441 -4.745 1.00 0.00 H new ATOM 0 HB THR A 55 -8.044 0.934 -6.064 1.00 0.00 H new ATOM 0 HG1 THR A 55 -5.947 1.125 -8.026 1.00 0.00 H new ATOM 0 HG21 THR A 55 -6.826 3.067 -6.347 1.00 0.00 H new ATOM 0 HG22 THR A 55 -6.488 2.284 -4.785 1.00 0.00 H new ATOM 0 HG23 THR A 55 -5.292 2.200 -6.099 1.00 0.00 H new ATOM 814 N HIS A 56 -6.151 -1.678 -7.737 1.00 0.00 N ATOM 815 CA HIS A 56 -6.408 -2.819 -8.600 1.00 0.00 C ATOM 816 C HIS A 56 -5.916 -4.092 -7.921 1.00 0.00 C ATOM 817 O HIS A 56 -6.406 -5.188 -8.190 1.00 0.00 O ATOM 818 CB HIS A 56 -5.699 -2.639 -9.943 1.00 0.00 C ATOM 819 CG HIS A 56 -6.114 -3.637 -10.978 1.00 0.00 C ATOM 820 ND1 HIS A 56 -5.268 -4.141 -11.941 1.00 0.00 N ATOM 821 CD2 HIS A 56 -7.316 -4.230 -11.190 1.00 0.00 C ATOM 822 CE1 HIS A 56 -5.966 -5.003 -12.692 1.00 0.00 C ATOM 823 NE2 HIS A 56 -7.215 -5.094 -12.277 1.00 0.00 N ATOM 0 H HIS A 56 -5.463 -1.017 -8.098 1.00 0.00 H new ATOM 0 HA HIS A 56 -7.481 -2.894 -8.779 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -5.898 -1.635 -10.318 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -4.623 -2.714 -9.789 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -8.209 -4.059 -10.608 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -5.559 -5.552 -13.528 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -7.954 -5.677 -12.671 1.00 0.00 H new ATOM 831 N LEU A 57 -4.933 -3.925 -7.041 1.00 0.00 N ATOM 832 CA LEU A 57 -4.342 -5.036 -6.309 1.00 0.00 C ATOM 833 C LEU A 57 -5.237 -5.492 -5.152 1.00 0.00 C ATOM 834 O LEU A 57 -5.066 -6.596 -4.635 1.00 0.00 O ATOM 835 CB LEU A 57 -2.969 -4.619 -5.774 1.00 0.00 C ATOM 836 CG LEU A 57 -2.144 -5.735 -5.134 1.00 0.00 C ATOM 837 CD1 LEU A 57 -0.667 -5.374 -5.137 1.00 0.00 C ATOM 838 CD2 LEU A 57 -2.626 -6.001 -3.715 1.00 0.00 C ATOM 0 H LEU A 57 -4.526 -3.017 -6.817 1.00 0.00 H new ATOM 0 HA LEU A 57 -4.235 -5.877 -6.995 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -2.394 -4.191 -6.595 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -3.111 -3.828 -5.038 1.00 0.00 H new ATOM 0 HG LEU A 57 -2.276 -6.644 -5.721 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -0.095 -6.180 -4.678 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.330 -5.229 -6.163 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -0.516 -4.454 -4.572 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -2.029 -6.798 -3.272 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -2.521 -5.094 -3.119 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -3.674 -6.301 -3.737 1.00 0.00 H new ATOM 850 N LYS A 58 -6.187 -4.650 -4.743 1.00 0.00 N ATOM 851 CA LYS A 58 -7.082 -5.008 -3.642 1.00 0.00 C ATOM 852 C LYS A 58 -8.022 -6.138 -4.047 1.00 0.00 C ATOM 853 O LYS A 58 -8.278 -7.056 -3.268 1.00 0.00 O ATOM 854 CB LYS A 58 -7.901 -3.798 -3.182 1.00 0.00 C ATOM 855 CG LYS A 58 -7.060 -2.645 -2.660 1.00 0.00 C ATOM 856 CD LYS A 58 -7.912 -1.425 -2.330 1.00 0.00 C ATOM 857 CE LYS A 58 -8.891 -1.092 -3.449 1.00 0.00 C ATOM 858 NZ LYS A 58 -10.200 -1.775 -3.263 1.00 0.00 N ATOM 0 H LYS A 58 -6.355 -3.730 -5.150 1.00 0.00 H new ATOM 0 HA LYS A 58 -6.459 -5.347 -2.814 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -8.507 -3.444 -4.016 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -8.590 -4.115 -2.399 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -6.521 -2.964 -1.768 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -6.312 -2.375 -3.405 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -8.464 -1.607 -1.408 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -7.263 -0.568 -2.149 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -9.046 -0.014 -3.486 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -8.461 -1.386 -4.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -10.452 -2.286 -4.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -10.131 -2.449 -2.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -10.933 -1.068 -3.052 1.00 0.00 H new ATOM 872 N ALA A 59 -8.539 -6.059 -5.268 1.00 0.00 N ATOM 873 CA ALA A 59 -9.457 -7.071 -5.775 1.00 0.00 C ATOM 874 C ALA A 59 -8.711 -8.201 -6.477 1.00 0.00 C ATOM 875 O ALA A 59 -9.010 -9.377 -6.272 1.00 0.00 O ATOM 876 CB ALA A 59 -10.466 -6.438 -6.722 1.00 0.00 C ATOM 0 H ALA A 59 -8.338 -5.305 -5.925 1.00 0.00 H new ATOM 0 HA ALA A 59 -9.986 -7.499 -4.923 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -11.146 -7.204 -7.094 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -11.035 -5.675 -6.191 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -9.941 -5.981 -7.561 1.00 0.00 H new ATOM 882 N LYS A 60 -7.739 -7.839 -7.307 1.00 0.00 N ATOM 883 CA LYS A 60 -6.954 -8.824 -8.042 1.00 0.00 C ATOM 884 C LYS A 60 -5.823 -9.374 -7.179 1.00 0.00 C ATOM 885 O LYS A 60 -5.610 -10.586 -7.117 1.00 0.00 O ATOM 886 CB LYS A 60 -6.380 -8.202 -9.316 1.00 0.00 C ATOM 887 CG LYS A 60 -7.172 -8.542 -10.568 1.00 0.00 C ATOM 888 CD LYS A 60 -6.724 -9.864 -11.169 1.00 0.00 C ATOM 889 CE LYS A 60 -6.255 -9.693 -12.605 1.00 0.00 C ATOM 890 NZ LYS A 60 -6.719 -10.808 -13.477 1.00 0.00 N ATOM 0 H LYS A 60 -7.476 -6.870 -7.488 1.00 0.00 H new ATOM 0 HA LYS A 60 -7.615 -9.648 -8.312 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -6.348 -7.119 -9.199 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -5.351 -8.539 -9.444 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -8.234 -8.593 -10.326 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -7.050 -7.747 -11.304 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -5.916 -10.283 -10.569 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -7.548 -10.577 -11.137 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -6.626 -8.746 -12.998 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -5.166 -9.643 -12.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -6.379 -10.654 -14.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -6.344 -11.709 -13.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -7.759 -10.840 -13.476 1.00 0.00 H new ATOM 904 N GLY A 61 -5.101 -8.478 -6.516 1.00 0.00 N ATOM 905 CA GLY A 61 -4.000 -8.894 -5.667 1.00 0.00 C ATOM 906 C GLY A 61 -4.448 -9.784 -4.527 1.00 0.00 C ATOM 907 O GLY A 61 -5.290 -10.662 -4.709 1.00 0.00 O ATOM 0 H GLY A 61 -5.258 -7.471 -6.551 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -3.262 -9.425 -6.269 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -3.505 -8.012 -5.261 1.00 0.00 H new ATOM 911 N GLU A 62 -3.880 -9.559 -3.346 1.00 0.00 N ATOM 912 CA GLU A 62 -4.225 -10.352 -2.174 1.00 0.00 C ATOM 913 C GLU A 62 -5.303 -9.658 -1.336 1.00 0.00 C ATOM 914 O GLU A 62 -6.493 -9.830 -1.600 1.00 0.00 O ATOM 915 CB GLU A 62 -2.976 -10.630 -1.332 1.00 0.00 C ATOM 916 CG GLU A 62 -2.331 -11.973 -1.627 1.00 0.00 C ATOM 917 CD GLU A 62 -1.070 -12.205 -0.817 1.00 0.00 C ATOM 918 OE1 GLU A 62 -1.177 -12.357 0.418 1.00 0.00 O ATOM 919 OE2 GLU A 62 0.024 -12.234 -1.418 1.00 0.00 O ATOM 0 H GLU A 62 -3.181 -8.836 -3.177 1.00 0.00 H new ATOM 0 HA GLU A 62 -4.632 -11.304 -2.515 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -2.246 -9.839 -1.507 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -3.243 -10.589 -0.276 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -3.045 -12.769 -1.416 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -2.092 -12.032 -2.689 1.00 0.00 H new ATOM 926 N ILE A 63 -4.883 -8.878 -0.327 1.00 0.00 N ATOM 927 CA ILE A 63 -5.813 -8.163 0.559 1.00 0.00 C ATOM 928 C ILE A 63 -7.088 -8.962 0.815 1.00 0.00 C ATOM 929 O ILE A 63 -8.192 -8.488 0.546 1.00 0.00 O ATOM 930 CB ILE A 63 -6.205 -6.789 -0.015 1.00 0.00 C ATOM 931 CG1 ILE A 63 -5.002 -6.127 -0.691 1.00 0.00 C ATOM 932 CG2 ILE A 63 -6.750 -5.907 1.093 1.00 0.00 C ATOM 933 CD1 ILE A 63 -3.934 -5.677 0.281 1.00 0.00 C ATOM 0 H ILE A 63 -3.899 -8.727 -0.105 1.00 0.00 H new ATOM 0 HA ILE A 63 -5.280 -8.026 1.500 1.00 0.00 H new ATOM 0 HB ILE A 63 -6.981 -6.927 -0.768 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -4.563 -6.828 -1.401 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -5.346 -5.266 -1.264 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -7.026 -4.936 0.682 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -7.629 -6.378 1.534 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -5.987 -5.773 1.860 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -3.112 -5.217 -0.268 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -4.357 -4.951 0.976 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -3.562 -6.538 0.837 1.00 0.00 H new ATOM 945 N PRO A 64 -6.953 -10.204 1.306 1.00 0.00 N ATOM 946 CA PRO A 64 -8.100 -11.070 1.552 1.00 0.00 C ATOM 947 C PRO A 64 -8.799 -10.835 2.885 1.00 0.00 C ATOM 948 O PRO A 64 -9.162 -11.787 3.575 1.00 0.00 O ATOM 949 CB PRO A 64 -7.490 -12.466 1.496 1.00 0.00 C ATOM 950 CG PRO A 64 -6.086 -12.288 1.970 1.00 0.00 C ATOM 951 CD PRO A 64 -5.677 -10.876 1.613 1.00 0.00 C ATOM 0 HA PRO A 64 -8.891 -10.888 0.824 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -8.037 -13.162 2.132 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -7.518 -12.869 0.484 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -6.018 -12.449 3.046 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -5.424 -13.013 1.497 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -5.158 -10.390 2.439 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -5.001 -10.860 0.758 1.00 0.00 H new ATOM 959 N GLU A 65 -8.992 -9.563 3.237 1.00 0.00 N ATOM 960 CA GLU A 65 -9.660 -9.173 4.482 1.00 0.00 C ATOM 961 C GLU A 65 -8.673 -9.117 5.637 1.00 0.00 C ATOM 962 O GLU A 65 -8.823 -8.315 6.554 1.00 0.00 O ATOM 963 CB GLU A 65 -10.812 -10.122 4.812 1.00 0.00 C ATOM 964 CG GLU A 65 -11.820 -9.545 5.791 1.00 0.00 C ATOM 965 CD GLU A 65 -13.027 -8.942 5.098 1.00 0.00 C ATOM 966 OE1 GLU A 65 -12.927 -8.638 3.891 1.00 0.00 O ATOM 967 OE2 GLU A 65 -14.070 -8.773 5.763 1.00 0.00 O ATOM 0 H GLU A 65 -8.690 -8.773 2.667 1.00 0.00 H new ATOM 0 HA GLU A 65 -10.072 -8.175 4.334 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -11.327 -10.388 3.889 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -10.404 -11.044 5.226 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -12.151 -10.330 6.471 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -11.335 -8.781 6.398 1.00 0.00 H new ATOM 974 N VAL A 66 -7.649 -9.950 5.578 1.00 0.00 N ATOM 975 CA VAL A 66 -6.631 -9.958 6.605 1.00 0.00 C ATOM 976 C VAL A 66 -5.990 -8.582 6.677 1.00 0.00 C ATOM 977 O VAL A 66 -5.528 -8.146 7.732 1.00 0.00 O ATOM 978 CB VAL A 66 -5.550 -11.012 6.321 1.00 0.00 C ATOM 979 CG1 VAL A 66 -4.974 -10.811 4.932 1.00 0.00 C ATOM 980 CG2 VAL A 66 -4.456 -10.949 7.369 1.00 0.00 C ATOM 0 H VAL A 66 -7.503 -10.627 4.830 1.00 0.00 H new ATOM 0 HA VAL A 66 -7.103 -10.210 7.555 1.00 0.00 H new ATOM 0 HB VAL A 66 -6.007 -12.001 6.366 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -4.209 -11.564 4.743 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -5.768 -10.906 4.191 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -4.530 -9.818 4.862 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -3.700 -11.703 7.151 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -3.997 -9.960 7.357 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -4.884 -11.138 8.353 1.00 0.00 H new ATOM 990 N ALA A 67 -5.972 -7.895 5.538 1.00 0.00 N ATOM 991 CA ALA A 67 -5.397 -6.555 5.475 1.00 0.00 C ATOM 992 C ALA A 67 -6.394 -5.511 5.966 1.00 0.00 C ATOM 993 O ALA A 67 -6.179 -4.855 6.985 1.00 0.00 O ATOM 994 CB ALA A 67 -4.965 -6.225 4.060 1.00 0.00 C ATOM 0 H ALA A 67 -6.345 -8.240 4.654 1.00 0.00 H new ATOM 0 HA ALA A 67 -4.523 -6.537 6.126 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -4.539 -5.222 4.034 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -4.217 -6.946 3.731 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -5.828 -6.270 3.396 1.00 0.00 H new ATOM 1000 N PHE A 68 -7.484 -5.363 5.220 1.00 0.00 N ATOM 1001 CA PHE A 68 -8.529 -4.400 5.552 1.00 0.00 C ATOM 1002 C PHE A 68 -8.895 -4.455 7.032 1.00 0.00 C ATOM 1003 O PHE A 68 -8.698 -3.489 7.768 1.00 0.00 O ATOM 1004 CB PHE A 68 -9.767 -4.663 4.690 1.00 0.00 C ATOM 1005 CG PHE A 68 -9.523 -4.473 3.234 1.00 0.00 C ATOM 1006 CD1 PHE A 68 -8.738 -3.434 2.793 1.00 0.00 C ATOM 1007 CD2 PHE A 68 -10.083 -5.329 2.311 1.00 0.00 C ATOM 1008 CE1 PHE A 68 -8.507 -3.246 1.455 1.00 0.00 C ATOM 1009 CE2 PHE A 68 -9.859 -5.151 0.968 1.00 0.00 C ATOM 1010 CZ PHE A 68 -9.067 -4.106 0.535 1.00 0.00 C ATOM 0 H PHE A 68 -7.668 -5.903 4.374 1.00 0.00 H new ATOM 0 HA PHE A 68 -8.146 -3.401 5.345 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -10.112 -5.682 4.863 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -10.570 -3.997 5.007 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -8.298 -2.757 3.510 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -10.703 -6.147 2.647 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -7.888 -2.426 1.123 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -10.302 -5.827 0.252 1.00 0.00 H new ATOM 0 HZ PHE A 68 -8.887 -3.963 -0.520 1.00 0.00 H new ATOM 1020 N MET A 69 -9.431 -5.591 7.456 1.00 0.00 N ATOM 1021 CA MET A 69 -9.832 -5.785 8.848 1.00 0.00 C ATOM 1022 C MET A 69 -10.649 -7.064 9.001 1.00 0.00 C ATOM 1023 O MET A 69 -11.861 -7.018 9.210 1.00 0.00 O ATOM 1024 CB MET A 69 -10.646 -4.588 9.347 1.00 0.00 C ATOM 1025 CG MET A 69 -11.689 -4.106 8.352 1.00 0.00 C ATOM 1026 SD MET A 69 -12.116 -2.369 8.582 1.00 0.00 S ATOM 1027 CE MET A 69 -11.548 -1.673 7.033 1.00 0.00 C ATOM 0 H MET A 69 -9.600 -6.398 6.855 1.00 0.00 H new ATOM 0 HA MET A 69 -8.927 -5.872 9.449 1.00 0.00 H new ATOM 0 HB2 MET A 69 -11.142 -4.860 10.279 1.00 0.00 H new ATOM 0 HB3 MET A 69 -9.967 -3.767 9.575 1.00 0.00 H new ATOM 0 HG2 MET A 69 -11.315 -4.253 7.339 1.00 0.00 H new ATOM 0 HG3 MET A 69 -12.588 -4.714 8.451 1.00 0.00 H new ATOM 0 HE1 MET A 69 -11.743 -0.601 7.023 1.00 0.00 H new ATOM 0 HE2 MET A 69 -10.477 -1.848 6.926 1.00 0.00 H new ATOM 0 HE3 MET A 69 -12.077 -2.146 6.206 1.00 0.00 H new ATOM 1037 N LYS A 70 -9.978 -8.205 8.893 1.00 0.00 N ATOM 1038 CA LYS A 70 -10.639 -9.498 9.017 1.00 0.00 C ATOM 1039 C LYS A 70 -11.491 -9.557 10.283 1.00 0.00 C ATOM 1040 O LYS A 70 -11.247 -8.741 11.197 1.00 0.00 O ATOM 1041 CB LYS A 70 -9.603 -10.626 9.024 1.00 0.00 C ATOM 1042 CG LYS A 70 -8.830 -10.740 10.331 1.00 0.00 C ATOM 1043 CD LYS A 70 -7.335 -10.577 10.116 1.00 0.00 C ATOM 1044 CE LYS A 70 -6.955 -9.117 9.925 1.00 0.00 C ATOM 1045 NZ LYS A 70 -5.500 -8.887 10.151 1.00 0.00 N ATOM 1046 OXT LYS A 70 -12.393 -10.417 10.348 1.00 0.00 O ATOM 0 H LYS A 70 -8.974 -8.260 8.719 1.00 0.00 H new ATOM 0 HA LYS A 70 -11.296 -9.627 8.157 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -10.108 -11.572 8.827 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -8.898 -10.465 8.208 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -9.182 -9.981 11.029 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -9.028 -11.710 10.788 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -6.797 -10.985 10.971 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -7.027 -11.151 9.242 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -7.220 -8.802 8.916 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -7.531 -8.499 10.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -5.373 -8.102 10.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -5.069 -9.749 10.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -5.042 -8.650 9.248 1.00 0.00 H new TER 1060 LYS A 70