USER MOD reduce.3.24.130724 H: found=0, std=0, add=595, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 590 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 49 GLN : amide:sc= 0.974 K(o=0.78,f=-1.5) USER MOD Set 1.2: A 57 ASN : amide:sc= -0.196 K(o=0.78,f=-0.24) USER MOD Set 2.1: A 35 TYR OH : rot 150:sc= -0.202 USER MOD Set 2.2: A 39 HIS : no HE2:sc= -9.57! C(o=-9.8!,f=-10!) USER MOD Set 3.1: A 15 HIS : no HE2:sc= -6.16! C(o=-7.2!,f=-10!) USER MOD Set 3.2: A 20 SER OG : rot -127:sc= -1.08 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 0:sc= -1.27 USER MOD Single : A 8 THR OG1 : rot 48:sc= 0.5 USER MOD Single : A 13 GLN : amide:sc=-0.00347 X(o=-0.0035,f=-0.054) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot -53:sc= 1.19 USER MOD Single : A 26 HIS : no HE2:sc= -4.13 K(o=-4.1,f=-6.3!) USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 28 LYS NZ :NH3+ 150:sc= -0.0598 (180deg=-0.518) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 97:sc= 1.26 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 17:sc= 0.0978 USER MOD Single : A 63 HIS : no HE2:sc= -3.21! C(o=-3.2!,f=-8!) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= -0.451 X(o=-0.45,f=-0.22) USER MOD ----------------------------------------------------------------- ATOM 17 N LYS A 5 2.781 2.939 -8.439 1.00 0.00 N ATOM 18 CA LYS A 5 1.917 4.096 -8.601 1.00 0.00 C ATOM 19 C LYS A 5 2.109 4.678 -10.004 1.00 0.00 C ATOM 20 O LYS A 5 3.216 5.067 -10.372 1.00 0.00 O ATOM 21 CB LYS A 5 2.160 5.107 -7.479 1.00 0.00 C ATOM 22 CG LYS A 5 1.018 5.079 -6.460 1.00 0.00 C ATOM 23 CD LYS A 5 -0.042 6.130 -6.795 1.00 0.00 C ATOM 24 CE LYS A 5 -1.021 5.604 -7.847 1.00 0.00 C ATOM 25 NZ LYS A 5 -1.923 6.686 -8.302 1.00 0.00 N ATOM 0 HA LYS A 5 0.870 3.804 -8.516 1.00 0.00 H new ATOM 0 HB2 LYS A 5 3.103 4.883 -6.980 1.00 0.00 H new ATOM 0 HB3 LYS A 5 2.252 6.108 -7.900 1.00 0.00 H new ATOM 0 HG2 LYS A 5 0.562 4.089 -6.447 1.00 0.00 H new ATOM 0 HG3 LYS A 5 1.413 5.262 -5.461 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -0.586 6.404 -5.891 1.00 0.00 H new ATOM 0 HD3 LYS A 5 0.441 7.035 -7.163 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -0.469 5.201 -8.696 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -1.607 4.785 -7.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -2.581 6.312 -9.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -2.462 7.052 -7.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -1.360 7.455 -8.719 1.00 0.00 H new ATOM 39 N TYR A 6 1.013 4.716 -10.747 1.00 0.00 N ATOM 40 CA TYR A 6 1.047 5.244 -12.101 1.00 0.00 C ATOM 41 C TYR A 6 0.544 6.687 -12.140 1.00 0.00 C ATOM 42 O TYR A 6 -0.570 6.974 -11.700 1.00 0.00 O ATOM 43 CB TYR A 6 0.099 4.363 -12.919 1.00 0.00 C ATOM 44 CG TYR A 6 0.503 2.889 -12.965 1.00 0.00 C ATOM 45 CD1 TYR A 6 1.785 2.535 -13.332 1.00 0.00 C ATOM 46 CD2 TYR A 6 -0.416 1.912 -12.638 1.00 0.00 C ATOM 47 CE1 TYR A 6 2.166 1.147 -13.374 1.00 0.00 C ATOM 48 CE2 TYR A 6 -0.036 0.524 -12.681 1.00 0.00 C ATOM 49 CZ TYR A 6 1.236 0.209 -13.046 1.00 0.00 C ATOM 50 OH TYR A 6 1.594 -1.102 -13.087 1.00 0.00 O ATOM 0 H TYR A 6 0.097 4.390 -10.438 1.00 0.00 H new ATOM 0 HA TYR A 6 2.065 5.238 -12.490 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -0.905 4.441 -12.501 1.00 0.00 H new ATOM 0 HB3 TYR A 6 0.050 4.748 -13.938 1.00 0.00 H new ATOM 0 HD1 TYR A 6 2.503 3.300 -13.588 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -1.419 2.189 -12.350 1.00 0.00 H new ATOM 0 HE1 TYR A 6 3.167 0.857 -13.659 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -0.745 -0.250 -12.429 1.00 0.00 H new ATOM 0 HH TYR A 6 0.830 -1.658 -12.827 1.00 0.00 H new ATOM 60 N TYR A 7 1.387 7.561 -12.671 1.00 0.00 N ATOM 61 CA TYR A 7 1.042 8.969 -12.773 1.00 0.00 C ATOM 62 C TYR A 7 0.845 9.381 -14.233 1.00 0.00 C ATOM 63 O TYR A 7 1.515 8.860 -15.124 1.00 0.00 O ATOM 64 CB TYR A 7 2.232 9.737 -12.195 1.00 0.00 C ATOM 65 CG TYR A 7 2.796 9.135 -10.906 1.00 0.00 C ATOM 66 CD1 TYR A 7 1.984 8.991 -9.799 1.00 0.00 C ATOM 67 CD2 TYR A 7 4.115 8.734 -10.852 1.00 0.00 C ATOM 68 CE1 TYR A 7 2.515 8.424 -8.586 1.00 0.00 C ATOM 69 CE2 TYR A 7 4.646 8.167 -9.639 1.00 0.00 C ATOM 70 CZ TYR A 7 3.819 8.040 -8.566 1.00 0.00 C ATOM 71 OH TYR A 7 4.320 7.504 -7.421 1.00 0.00 O ATOM 0 H TYR A 7 2.309 7.321 -13.035 1.00 0.00 H new ATOM 0 HA TYR A 7 0.113 9.176 -12.242 1.00 0.00 H new ATOM 0 HB2 TYR A 7 3.024 9.775 -12.943 1.00 0.00 H new ATOM 0 HB3 TYR A 7 1.927 10.765 -12.000 1.00 0.00 H new ATOM 0 HD1 TYR A 7 0.951 9.303 -9.842 1.00 0.00 H new ATOM 0 HD2 TYR A 7 4.749 8.845 -11.719 1.00 0.00 H new ATOM 0 HE1 TYR A 7 1.891 8.307 -7.712 1.00 0.00 H new ATOM 0 HE2 TYR A 7 5.677 7.850 -9.582 1.00 0.00 H new ATOM 0 HH TYR A 7 3.617 7.475 -6.739 1.00 0.00 H new ATOM 81 N THR A 8 -0.077 10.310 -14.433 1.00 0.00 N ATOM 82 CA THR A 8 -0.371 10.798 -15.770 1.00 0.00 C ATOM 83 C THR A 8 0.754 11.710 -16.264 1.00 0.00 C ATOM 84 O THR A 8 1.363 12.432 -15.477 1.00 0.00 O ATOM 85 CB THR A 8 -1.738 11.484 -15.733 1.00 0.00 C ATOM 86 OG1 THR A 8 -1.765 12.138 -14.467 1.00 0.00 O ATOM 87 CG2 THR A 8 -2.894 10.484 -15.660 1.00 0.00 C ATOM 0 H THR A 8 -0.631 10.738 -13.691 1.00 0.00 H new ATOM 0 HA THR A 8 -0.422 9.979 -16.488 1.00 0.00 H new ATOM 0 HB THR A 8 -1.854 12.109 -16.619 1.00 0.00 H new ATOM 0 HG1 THR A 8 -0.927 12.628 -14.334 1.00 0.00 H new ATOM 0 HG21 THR A 8 -3.841 11.023 -15.636 1.00 0.00 H new ATOM 0 HG22 THR A 8 -2.869 9.834 -16.535 1.00 0.00 H new ATOM 0 HG23 THR A 8 -2.797 9.881 -14.757 1.00 0.00 H new ATOM 95 N LEU A 9 0.994 11.647 -17.565 1.00 0.00 N ATOM 96 CA LEU A 9 2.035 12.458 -18.174 1.00 0.00 C ATOM 97 C LEU A 9 1.826 13.923 -17.785 1.00 0.00 C ATOM 98 O LEU A 9 2.747 14.733 -17.885 1.00 0.00 O ATOM 99 CB LEU A 9 2.082 12.224 -19.685 1.00 0.00 C ATOM 100 CG LEU A 9 1.158 13.104 -20.529 1.00 0.00 C ATOM 101 CD1 LEU A 9 1.394 12.873 -22.023 1.00 0.00 C ATOM 102 CD2 LEU A 9 -0.308 12.889 -20.142 1.00 0.00 C ATOM 0 H LEU A 9 0.486 11.047 -18.215 1.00 0.00 H new ATOM 0 HA LEU A 9 3.015 12.164 -17.799 1.00 0.00 H new ATOM 0 HB2 LEU A 9 3.106 12.377 -20.025 1.00 0.00 H new ATOM 0 HB3 LEU A 9 1.834 11.180 -19.879 1.00 0.00 H new ATOM 0 HG LEU A 9 1.398 14.147 -20.322 1.00 0.00 H new ATOM 0 HD11 LEU A 9 0.724 13.511 -22.600 1.00 0.00 H new ATOM 0 HD12 LEU A 9 2.428 13.115 -22.270 1.00 0.00 H new ATOM 0 HD13 LEU A 9 1.198 11.828 -22.265 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -0.944 13.526 -20.757 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -0.577 11.845 -20.302 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -0.448 13.143 -19.091 1.00 0.00 H new ATOM 114 N GLU A 10 0.611 14.220 -17.351 1.00 0.00 N ATOM 115 CA GLU A 10 0.269 15.573 -16.946 1.00 0.00 C ATOM 116 C GLU A 10 1.103 15.990 -15.732 1.00 0.00 C ATOM 117 O GLU A 10 1.461 17.159 -15.593 1.00 0.00 O ATOM 118 CB GLU A 10 -1.227 15.697 -16.652 1.00 0.00 C ATOM 119 CG GLU A 10 -1.962 16.362 -17.817 1.00 0.00 C ATOM 120 CD GLU A 10 -2.931 17.434 -17.314 1.00 0.00 C ATOM 121 OE1 GLU A 10 -3.971 17.036 -16.746 1.00 0.00 O ATOM 122 OE2 GLU A 10 -2.609 18.626 -17.508 1.00 0.00 O ATOM 0 H GLU A 10 -0.150 13.546 -17.271 1.00 0.00 H new ATOM 0 HA GLU A 10 0.500 16.247 -17.771 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -1.648 14.709 -16.469 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -1.375 16.280 -15.743 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -1.240 16.811 -18.499 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -2.510 15.609 -18.384 1.00 0.00 H new ATOM 129 N GLU A 11 1.389 15.012 -14.886 1.00 0.00 N ATOM 130 CA GLU A 11 2.173 15.263 -13.689 1.00 0.00 C ATOM 131 C GLU A 11 3.568 15.768 -14.066 1.00 0.00 C ATOM 132 O GLU A 11 3.862 16.954 -13.923 1.00 0.00 O ATOM 133 CB GLU A 11 2.260 14.010 -12.817 1.00 0.00 C ATOM 134 CG GLU A 11 1.526 14.212 -11.490 1.00 0.00 C ATOM 135 CD GLU A 11 0.239 13.387 -11.444 1.00 0.00 C ATOM 136 OE1 GLU A 11 -0.467 13.379 -12.476 1.00 0.00 O ATOM 137 OE2 GLU A 11 -0.010 12.782 -10.379 1.00 0.00 O ATOM 0 H GLU A 11 1.092 14.044 -15.006 1.00 0.00 H new ATOM 0 HA GLU A 11 1.673 16.036 -13.106 1.00 0.00 H new ATOM 0 HB2 GLU A 11 1.829 13.162 -13.349 1.00 0.00 H new ATOM 0 HB3 GLU A 11 3.305 13.768 -12.625 1.00 0.00 H new ATOM 0 HG2 GLU A 11 2.176 13.925 -10.663 1.00 0.00 H new ATOM 0 HG3 GLU A 11 1.290 15.268 -11.358 1.00 0.00 H new ATOM 144 N ILE A 12 4.390 14.843 -14.538 1.00 0.00 N ATOM 145 CA ILE A 12 5.746 15.178 -14.936 1.00 0.00 C ATOM 146 C ILE A 12 5.767 16.595 -15.515 1.00 0.00 C ATOM 147 O ILE A 12 6.688 17.366 -15.246 1.00 0.00 O ATOM 148 CB ILE A 12 6.304 14.118 -15.886 1.00 0.00 C ATOM 149 CG1 ILE A 12 5.174 13.324 -16.546 1.00 0.00 C ATOM 150 CG2 ILE A 12 7.301 13.207 -15.168 1.00 0.00 C ATOM 151 CD1 ILE A 12 4.899 12.026 -15.784 1.00 0.00 C ATOM 0 H ILE A 12 4.143 13.860 -14.654 1.00 0.00 H new ATOM 0 HA ILE A 12 6.408 15.176 -14.070 1.00 0.00 H new ATOM 0 HB ILE A 12 6.849 14.626 -16.682 1.00 0.00 H new ATOM 0 HG12 ILE A 12 4.269 13.930 -16.577 1.00 0.00 H new ATOM 0 HG13 ILE A 12 5.440 13.095 -17.578 1.00 0.00 H new ATOM 0 HG21 ILE A 12 7.682 12.462 -15.867 1.00 0.00 H new ATOM 0 HG22 ILE A 12 8.129 13.804 -14.786 1.00 0.00 H new ATOM 0 HG23 ILE A 12 6.803 12.705 -14.339 1.00 0.00 H new ATOM 0 HD11 ILE A 12 4.092 11.481 -16.273 1.00 0.00 H new ATOM 0 HD12 ILE A 12 5.799 11.411 -15.775 1.00 0.00 H new ATOM 0 HD13 ILE A 12 4.610 12.260 -14.759 1.00 0.00 H new ATOM 163 N GLN A 13 4.741 16.896 -16.297 1.00 0.00 N ATOM 164 CA GLN A 13 4.631 18.206 -16.915 1.00 0.00 C ATOM 165 C GLN A 13 4.530 19.292 -15.843 1.00 0.00 C ATOM 166 O GLN A 13 5.529 19.920 -15.494 1.00 0.00 O ATOM 167 CB GLN A 13 3.435 18.263 -17.868 1.00 0.00 C ATOM 168 CG GLN A 13 3.768 17.602 -19.207 1.00 0.00 C ATOM 169 CD GLN A 13 3.993 18.652 -20.297 1.00 0.00 C ATOM 170 OE1 GLN A 13 4.640 19.665 -20.093 1.00 0.00 O ATOM 171 NE2 GLN A 13 3.426 18.353 -21.461 1.00 0.00 N ATOM 0 H GLN A 13 3.978 16.255 -16.517 1.00 0.00 H new ATOM 0 HA GLN A 13 5.531 18.386 -17.502 1.00 0.00 H new ATOM 0 HB2 GLN A 13 2.580 17.762 -17.414 1.00 0.00 H new ATOM 0 HB3 GLN A 13 3.146 19.301 -18.033 1.00 0.00 H new ATOM 0 HG2 GLN A 13 4.661 16.986 -19.100 1.00 0.00 H new ATOM 0 HG3 GLN A 13 2.956 16.937 -19.500 1.00 0.00 H new ATOM 0 HE21 GLN A 13 2.897 17.487 -21.563 1.00 0.00 H new ATOM 0 HE22 GLN A 13 3.519 18.990 -22.252 1.00 0.00 H new ATOM 180 N LYS A 14 3.316 19.481 -15.350 1.00 0.00 N ATOM 181 CA LYS A 14 3.072 20.481 -14.324 1.00 0.00 C ATOM 182 C LYS A 14 4.205 20.439 -13.297 1.00 0.00 C ATOM 183 O LYS A 14 4.528 21.455 -12.683 1.00 0.00 O ATOM 184 CB LYS A 14 1.682 20.293 -13.712 1.00 0.00 C ATOM 185 CG LYS A 14 1.498 18.865 -13.196 1.00 0.00 C ATOM 186 CD LYS A 14 0.032 18.436 -13.278 1.00 0.00 C ATOM 187 CE LYS A 14 -0.424 17.787 -11.970 1.00 0.00 C ATOM 188 NZ LYS A 14 -1.838 18.121 -11.690 1.00 0.00 N ATOM 0 H LYS A 14 2.490 18.959 -15.642 1.00 0.00 H new ATOM 0 HA LYS A 14 3.072 21.480 -14.759 1.00 0.00 H new ATOM 0 HB2 LYS A 14 1.542 21.000 -12.894 1.00 0.00 H new ATOM 0 HB3 LYS A 14 0.919 20.515 -14.458 1.00 0.00 H new ATOM 0 HG2 LYS A 14 2.114 18.181 -13.781 1.00 0.00 H new ATOM 0 HG3 LYS A 14 1.842 18.801 -12.164 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -0.592 19.303 -13.495 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -0.100 17.734 -14.101 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -0.306 16.705 -12.034 1.00 0.00 H new ATOM 0 HE3 LYS A 14 0.206 18.129 -11.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -2.131 17.672 -10.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -1.941 19.153 -11.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -2.437 17.773 -12.466 1.00 0.00 H new ATOM 202 N HIS A 15 4.778 19.254 -13.144 1.00 0.00 N ATOM 203 CA HIS A 15 5.869 19.067 -12.202 1.00 0.00 C ATOM 204 C HIS A 15 7.205 19.295 -12.912 1.00 0.00 C ATOM 205 O HIS A 15 8.123 18.487 -12.790 1.00 0.00 O ATOM 206 CB HIS A 15 5.780 17.694 -11.533 1.00 0.00 C ATOM 207 CG HIS A 15 4.482 17.449 -10.803 1.00 0.00 C ATOM 208 ND1 HIS A 15 4.029 18.268 -9.784 1.00 0.00 N ATOM 209 CD2 HIS A 15 3.543 16.471 -10.956 1.00 0.00 C ATOM 210 CE1 HIS A 15 2.871 17.794 -9.349 1.00 0.00 C ATOM 211 NE2 HIS A 15 2.572 16.680 -10.076 1.00 0.00 N ATOM 0 H HIS A 15 4.508 18.414 -13.656 1.00 0.00 H new ATOM 0 HA HIS A 15 5.793 19.802 -11.401 1.00 0.00 H new ATOM 0 HB2 HIS A 15 5.909 16.922 -12.292 1.00 0.00 H new ATOM 0 HB3 HIS A 15 6.606 17.590 -10.829 1.00 0.00 H new ATOM 0 HD1 HIS A 15 4.506 19.096 -9.428 1.00 0.00 H new ATOM 0 HD2 HIS A 15 3.583 15.664 -11.672 1.00 0.00 H new ATOM 0 HE1 HIS A 15 2.269 18.216 -8.557 1.00 0.00 H new ATOM 219 N LYS A 16 7.270 20.401 -13.640 1.00 0.00 N ATOM 220 CA LYS A 16 8.478 20.746 -14.369 1.00 0.00 C ATOM 221 C LYS A 16 9.135 21.963 -13.715 1.00 0.00 C ATOM 222 O LYS A 16 9.782 22.762 -14.390 1.00 0.00 O ATOM 223 CB LYS A 16 8.170 20.939 -15.856 1.00 0.00 C ATOM 224 CG LYS A 16 7.313 22.187 -16.081 1.00 0.00 C ATOM 225 CD LYS A 16 6.657 22.160 -17.461 1.00 0.00 C ATOM 226 CE LYS A 16 5.228 22.706 -17.400 1.00 0.00 C ATOM 227 NZ LYS A 16 4.870 23.366 -18.675 1.00 0.00 N ATOM 0 H LYS A 16 6.506 21.069 -13.740 1.00 0.00 H new ATOM 0 HA LYS A 16 9.198 19.929 -14.319 1.00 0.00 H new ATOM 0 HB2 LYS A 16 9.101 21.027 -16.415 1.00 0.00 H new ATOM 0 HB3 LYS A 16 7.649 20.062 -16.240 1.00 0.00 H new ATOM 0 HG2 LYS A 16 6.545 22.248 -15.310 1.00 0.00 H new ATOM 0 HG3 LYS A 16 7.932 23.079 -15.986 1.00 0.00 H new ATOM 0 HD2 LYS A 16 7.247 22.753 -18.160 1.00 0.00 H new ATOM 0 HD3 LYS A 16 6.644 21.139 -17.841 1.00 0.00 H new ATOM 0 HE2 LYS A 16 4.531 21.894 -17.196 1.00 0.00 H new ATOM 0 HE3 LYS A 16 5.139 23.417 -16.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 3.898 23.730 -18.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 5.525 24.154 -18.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 4.935 22.678 -19.452 1.00 0.00 H new ATOM 241 N ASP A 17 8.946 22.065 -12.407 1.00 0.00 N ATOM 242 CA ASP A 17 9.512 23.171 -11.655 1.00 0.00 C ATOM 243 C ASP A 17 10.270 22.623 -10.444 1.00 0.00 C ATOM 244 O ASP A 17 10.086 21.468 -10.063 1.00 0.00 O ATOM 245 CB ASP A 17 8.415 24.107 -11.141 1.00 0.00 C ATOM 246 CG ASP A 17 8.503 25.546 -11.651 1.00 0.00 C ATOM 247 OD1 ASP A 17 8.044 25.773 -12.791 1.00 0.00 O ATOM 248 OD2 ASP A 17 9.028 26.387 -10.889 1.00 0.00 O ATOM 0 H ASP A 17 8.409 21.400 -11.850 1.00 0.00 H new ATOM 0 HA ASP A 17 10.177 23.724 -12.318 1.00 0.00 H new ATOM 0 HB2 ASP A 17 7.446 23.696 -11.423 1.00 0.00 H new ATOM 0 HB3 ASP A 17 8.451 24.121 -10.052 1.00 0.00 H new ATOM 253 N SER A 18 11.105 23.477 -9.872 1.00 0.00 N ATOM 254 CA SER A 18 11.891 23.093 -8.712 1.00 0.00 C ATOM 255 C SER A 18 10.992 22.433 -7.665 1.00 0.00 C ATOM 256 O SER A 18 11.266 21.320 -7.219 1.00 0.00 O ATOM 257 CB SER A 18 12.610 24.301 -8.108 1.00 0.00 C ATOM 258 OG SER A 18 14.003 24.060 -7.929 1.00 0.00 O ATOM 0 H SER A 18 11.255 24.434 -10.190 1.00 0.00 H new ATOM 0 HA SER A 18 12.648 22.378 -9.035 1.00 0.00 H new ATOM 0 HB2 SER A 18 12.472 25.166 -8.757 1.00 0.00 H new ATOM 0 HB3 SER A 18 12.159 24.548 -7.147 1.00 0.00 H new ATOM 0 HG SER A 18 14.426 24.855 -7.543 1.00 0.00 H new ATOM 264 N LYS A 19 9.936 23.147 -7.304 1.00 0.00 N ATOM 265 CA LYS A 19 8.994 22.645 -6.318 1.00 0.00 C ATOM 266 C LYS A 19 8.686 21.176 -6.616 1.00 0.00 C ATOM 267 O LYS A 19 8.673 20.345 -5.710 1.00 0.00 O ATOM 268 CB LYS A 19 7.751 23.536 -6.262 1.00 0.00 C ATOM 269 CG LYS A 19 7.764 24.417 -5.011 1.00 0.00 C ATOM 270 CD LYS A 19 6.694 23.969 -4.014 1.00 0.00 C ATOM 271 CE LYS A 19 5.435 24.829 -4.140 1.00 0.00 C ATOM 272 NZ LYS A 19 4.411 24.396 -3.162 1.00 0.00 N ATOM 0 H LYS A 19 9.712 24.070 -7.677 1.00 0.00 H new ATOM 0 HA LYS A 19 9.430 22.684 -5.320 1.00 0.00 H new ATOM 0 HB2 LYS A 19 7.708 24.163 -7.152 1.00 0.00 H new ATOM 0 HB3 LYS A 19 6.854 22.916 -6.265 1.00 0.00 H new ATOM 0 HG2 LYS A 19 8.746 24.372 -4.540 1.00 0.00 H new ATOM 0 HG3 LYS A 19 7.592 25.456 -5.292 1.00 0.00 H new ATOM 0 HD2 LYS A 19 6.443 22.923 -4.189 1.00 0.00 H new ATOM 0 HD3 LYS A 19 7.086 24.037 -2.999 1.00 0.00 H new ATOM 0 HE2 LYS A 19 5.685 25.877 -3.974 1.00 0.00 H new ATOM 0 HE3 LYS A 19 5.035 24.753 -5.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 3.563 24.990 -3.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 4.160 23.402 -3.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 4.790 24.491 -2.198 1.00 0.00 H new ATOM 286 N SER A 20 8.444 20.902 -7.889 1.00 0.00 N ATOM 287 CA SER A 20 8.136 19.549 -8.319 1.00 0.00 C ATOM 288 C SER A 20 8.881 19.229 -9.616 1.00 0.00 C ATOM 289 O SER A 20 8.442 19.613 -10.699 1.00 0.00 O ATOM 290 CB SER A 20 6.630 19.361 -8.510 1.00 0.00 C ATOM 291 OG SER A 20 6.066 20.379 -9.333 1.00 0.00 O ATOM 0 H SER A 20 8.455 21.595 -8.638 1.00 0.00 H new ATOM 0 HA SER A 20 8.464 18.860 -7.541 1.00 0.00 H new ATOM 0 HB2 SER A 20 6.440 18.386 -8.958 1.00 0.00 H new ATOM 0 HB3 SER A 20 6.138 19.366 -7.538 1.00 0.00 H new ATOM 0 HG SER A 20 5.307 20.791 -8.870 1.00 0.00 H new ATOM 297 N THR A 21 9.995 18.527 -9.464 1.00 0.00 N ATOM 298 CA THR A 21 10.804 18.151 -10.609 1.00 0.00 C ATOM 299 C THR A 21 10.801 16.632 -10.790 1.00 0.00 C ATOM 300 O THR A 21 11.384 15.906 -9.986 1.00 0.00 O ATOM 301 CB THR A 21 12.205 18.735 -10.411 1.00 0.00 C ATOM 302 OG1 THR A 21 11.981 19.924 -9.657 1.00 0.00 O ATOM 303 CG2 THR A 21 12.820 19.236 -11.720 1.00 0.00 C ATOM 0 H THR A 21 10.355 18.209 -8.564 1.00 0.00 H new ATOM 0 HA THR A 21 10.393 18.558 -11.533 1.00 0.00 H new ATOM 0 HB THR A 21 12.855 17.979 -9.969 1.00 0.00 H new ATOM 0 HG1 THR A 21 11.314 20.479 -10.112 1.00 0.00 H new ATOM 0 HG21 THR A 21 13.813 19.640 -11.524 1.00 0.00 H new ATOM 0 HG22 THR A 21 12.898 18.409 -12.426 1.00 0.00 H new ATOM 0 HG23 THR A 21 12.188 20.016 -12.144 1.00 0.00 H new ATOM 311 N TRP A 22 10.135 16.196 -11.849 1.00 0.00 N ATOM 312 CA TRP A 22 10.048 14.775 -12.145 1.00 0.00 C ATOM 313 C TRP A 22 10.759 14.525 -13.477 1.00 0.00 C ATOM 314 O TRP A 22 10.986 15.456 -14.248 1.00 0.00 O ATOM 315 CB TRP A 22 8.592 14.305 -12.147 1.00 0.00 C ATOM 316 CG TRP A 22 8.079 13.861 -10.776 1.00 0.00 C ATOM 317 CD1 TRP A 22 8.616 14.109 -9.574 1.00 0.00 C ATOM 318 CD2 TRP A 22 6.897 13.075 -10.513 1.00 0.00 C ATOM 319 NE1 TRP A 22 7.872 13.544 -8.560 1.00 0.00 N ATOM 320 CE2 TRP A 22 6.792 12.896 -9.149 1.00 0.00 C ATOM 321 CE3 TRP A 22 5.949 12.534 -11.399 1.00 0.00 C ATOM 322 CZ2 TRP A 22 5.754 12.174 -8.548 1.00 0.00 C ATOM 323 CZ3 TRP A 22 4.917 11.817 -10.783 1.00 0.00 C ATOM 324 CH2 TRP A 22 4.796 11.626 -9.412 1.00 0.00 C ATOM 0 H TRP A 22 9.651 16.801 -12.513 1.00 0.00 H new ATOM 0 HA TRP A 22 10.543 14.188 -11.371 1.00 0.00 H new ATOM 0 HB2 TRP A 22 7.961 15.114 -12.515 1.00 0.00 H new ATOM 0 HB3 TRP A 22 8.490 13.476 -12.848 1.00 0.00 H new ATOM 0 HD1 TRP A 22 9.519 14.680 -9.419 1.00 0.00 H new ATOM 0 HE1 TRP A 22 8.076 13.592 -7.562 1.00 0.00 H new ATOM 0 HE3 TRP A 22 6.012 12.662 -12.470 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 5.695 12.046 -7.477 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 4.161 11.381 -11.419 1.00 0.00 H new ATOM 0 HH2 TRP A 22 3.968 11.058 -9.014 1.00 0.00 H new ATOM 335 N VAL A 23 11.091 13.263 -13.705 1.00 0.00 N ATOM 336 CA VAL A 23 11.772 12.878 -14.930 1.00 0.00 C ATOM 337 C VAL A 23 11.560 11.384 -15.179 1.00 0.00 C ATOM 338 O VAL A 23 11.912 10.555 -14.340 1.00 0.00 O ATOM 339 CB VAL A 23 13.251 13.267 -14.851 1.00 0.00 C ATOM 340 CG1 VAL A 23 13.871 12.796 -13.534 1.00 0.00 C ATOM 341 CG2 VAL A 23 14.025 12.719 -16.051 1.00 0.00 C ATOM 0 H VAL A 23 10.901 12.494 -13.063 1.00 0.00 H new ATOM 0 HA VAL A 23 11.354 13.412 -15.783 1.00 0.00 H new ATOM 0 HB VAL A 23 13.315 14.355 -14.880 1.00 0.00 H new ATOM 0 HG11 VAL A 23 14.922 13.085 -13.503 1.00 0.00 H new ATOM 0 HG12 VAL A 23 13.343 13.256 -12.698 1.00 0.00 H new ATOM 0 HG13 VAL A 23 13.790 11.711 -13.461 1.00 0.00 H new ATOM 0 HG21 VAL A 23 15.073 13.009 -15.971 1.00 0.00 H new ATOM 0 HG22 VAL A 23 13.950 11.632 -16.067 1.00 0.00 H new ATOM 0 HG23 VAL A 23 13.605 13.125 -16.971 1.00 0.00 H new ATOM 351 N ILE A 24 10.984 11.086 -16.335 1.00 0.00 N ATOM 352 CA ILE A 24 10.720 9.705 -16.705 1.00 0.00 C ATOM 353 C ILE A 24 12.047 8.990 -16.969 1.00 0.00 C ATOM 354 O ILE A 24 12.707 9.252 -17.974 1.00 0.00 O ATOM 355 CB ILE A 24 9.743 9.643 -17.879 1.00 0.00 C ATOM 356 CG1 ILE A 24 8.373 10.198 -17.483 1.00 0.00 C ATOM 357 CG2 ILE A 24 9.644 8.221 -18.436 1.00 0.00 C ATOM 358 CD1 ILE A 24 7.755 11.003 -18.629 1.00 0.00 C ATOM 0 H ILE A 24 10.693 11.776 -17.027 1.00 0.00 H new ATOM 0 HA ILE A 24 10.231 9.177 -15.886 1.00 0.00 H new ATOM 0 HB ILE A 24 10.129 10.276 -18.677 1.00 0.00 H new ATOM 0 HG12 ILE A 24 7.709 9.377 -17.211 1.00 0.00 H new ATOM 0 HG13 ILE A 24 8.474 10.832 -16.602 1.00 0.00 H new ATOM 0 HG21 ILE A 24 8.942 8.205 -19.270 1.00 0.00 H new ATOM 0 HG22 ILE A 24 10.626 7.896 -18.781 1.00 0.00 H new ATOM 0 HG23 ILE A 24 9.293 7.548 -17.654 1.00 0.00 H new ATOM 0 HD11 ILE A 24 6.782 11.386 -18.321 1.00 0.00 H new ATOM 0 HD12 ILE A 24 8.410 11.837 -18.882 1.00 0.00 H new ATOM 0 HD13 ILE A 24 7.633 10.360 -19.501 1.00 0.00 H new ATOM 370 N LEU A 25 12.398 8.102 -16.051 1.00 0.00 N ATOM 371 CA LEU A 25 13.633 7.348 -16.174 1.00 0.00 C ATOM 372 C LEU A 25 13.306 5.859 -16.300 1.00 0.00 C ATOM 373 O LEU A 25 12.682 5.278 -15.414 1.00 0.00 O ATOM 374 CB LEU A 25 14.577 7.673 -15.013 1.00 0.00 C ATOM 375 CG LEU A 25 15.839 8.457 -15.376 1.00 0.00 C ATOM 376 CD1 LEU A 25 15.517 9.601 -16.340 1.00 0.00 C ATOM 377 CD2 LEU A 25 16.557 8.952 -14.119 1.00 0.00 C ATOM 0 H LEU A 25 11.848 7.888 -15.219 1.00 0.00 H new ATOM 0 HA LEU A 25 14.166 7.636 -17.080 1.00 0.00 H new ATOM 0 HB2 LEU A 25 14.022 8.242 -14.267 1.00 0.00 H new ATOM 0 HB3 LEU A 25 14.877 6.737 -14.542 1.00 0.00 H new ATOM 0 HG LEU A 25 16.522 7.783 -15.893 1.00 0.00 H new ATOM 0 HD11 LEU A 25 16.432 10.142 -16.581 1.00 0.00 H new ATOM 0 HD12 LEU A 25 15.083 9.195 -17.254 1.00 0.00 H new ATOM 0 HD13 LEU A 25 14.806 10.282 -15.872 1.00 0.00 H new ATOM 0 HD21 LEU A 25 17.451 9.506 -14.405 1.00 0.00 H new ATOM 0 HD22 LEU A 25 15.892 9.604 -13.553 1.00 0.00 H new ATOM 0 HD23 LEU A 25 16.841 8.099 -13.502 1.00 0.00 H new ATOM 389 N HIS A 26 13.743 5.282 -17.411 1.00 0.00 N ATOM 390 CA HIS A 26 13.504 3.871 -17.666 1.00 0.00 C ATOM 391 C HIS A 26 12.092 3.500 -17.210 1.00 0.00 C ATOM 392 O HIS A 26 11.913 2.565 -16.430 1.00 0.00 O ATOM 393 CB HIS A 26 14.585 3.010 -17.009 1.00 0.00 C ATOM 394 CG HIS A 26 15.932 3.686 -16.910 1.00 0.00 C ATOM 395 ND1 HIS A 26 16.182 4.733 -16.039 1.00 0.00 N ATOM 396 CD2 HIS A 26 17.097 3.454 -17.578 1.00 0.00 C ATOM 397 CE1 HIS A 26 17.446 5.106 -16.186 1.00 0.00 C ATOM 398 NE2 HIS A 26 18.010 4.312 -17.140 1.00 0.00 N ATOM 0 H HIS A 26 14.261 5.766 -18.144 1.00 0.00 H new ATOM 0 HA HIS A 26 13.566 3.675 -18.736 1.00 0.00 H new ATOM 0 HB2 HIS A 26 14.255 2.732 -16.008 1.00 0.00 H new ATOM 0 HB3 HIS A 26 14.694 2.086 -17.577 1.00 0.00 H new ATOM 0 HD1 HIS A 26 15.509 5.147 -15.394 1.00 0.00 H new ATOM 0 HD2 HIS A 26 17.251 2.700 -18.335 1.00 0.00 H new ATOM 0 HE1 HIS A 26 17.941 5.899 -15.645 1.00 0.00 H new ATOM 406 N HIS A 27 11.124 4.251 -17.715 1.00 0.00 N ATOM 407 CA HIS A 27 9.734 4.011 -17.370 1.00 0.00 C ATOM 408 C HIS A 27 9.563 4.081 -15.851 1.00 0.00 C ATOM 409 O HIS A 27 9.009 3.166 -15.242 1.00 0.00 O ATOM 410 CB HIS A 27 9.246 2.686 -17.961 1.00 0.00 C ATOM 411 CG HIS A 27 9.466 2.562 -19.450 1.00 0.00 C ATOM 412 ND1 HIS A 27 8.567 3.046 -20.384 1.00 0.00 N ATOM 413 CD2 HIS A 27 10.492 2.003 -20.155 1.00 0.00 C ATOM 414 CE1 HIS A 27 9.040 2.784 -21.594 1.00 0.00 C ATOM 415 NE2 HIS A 27 10.232 2.138 -21.450 1.00 0.00 N ATOM 0 H HIS A 27 11.276 5.026 -18.361 1.00 0.00 H new ATOM 0 HA HIS A 27 9.108 4.789 -17.808 1.00 0.00 H new ATOM 0 HB2 HIS A 27 9.758 1.865 -17.458 1.00 0.00 H new ATOM 0 HB3 HIS A 27 8.182 2.575 -17.750 1.00 0.00 H new ATOM 0 HD2 HIS A 27 11.366 1.531 -19.732 1.00 0.00 H new ATOM 0 HE1 HIS A 27 8.565 3.038 -22.530 1.00 0.00 H new ATOM 0 HE2 HIS A 27 10.826 1.812 -22.212 1.00 0.00 H new ATOM 423 N LYS A 28 10.048 5.175 -15.282 1.00 0.00 N ATOM 424 CA LYS A 28 9.956 5.375 -13.847 1.00 0.00 C ATOM 425 C LYS A 28 10.363 6.812 -13.509 1.00 0.00 C ATOM 426 O LYS A 28 11.544 7.153 -13.558 1.00 0.00 O ATOM 427 CB LYS A 28 10.771 4.315 -13.104 1.00 0.00 C ATOM 428 CG LYS A 28 9.858 3.250 -12.492 1.00 0.00 C ATOM 429 CD LYS A 28 10.436 1.848 -12.696 1.00 0.00 C ATOM 430 CE LYS A 28 10.936 1.264 -11.373 1.00 0.00 C ATOM 431 NZ LYS A 28 9.810 1.081 -10.430 1.00 0.00 N ATOM 0 H LYS A 28 10.506 5.932 -15.790 1.00 0.00 H new ATOM 0 HA LYS A 28 8.927 5.246 -13.510 1.00 0.00 H new ATOM 0 HB2 LYS A 28 11.475 3.845 -13.791 1.00 0.00 H new ATOM 0 HB3 LYS A 28 11.360 4.789 -12.319 1.00 0.00 H new ATOM 0 HG2 LYS A 28 9.731 3.443 -11.427 1.00 0.00 H new ATOM 0 HG3 LYS A 28 8.869 3.309 -12.947 1.00 0.00 H new ATOM 0 HD2 LYS A 28 9.674 1.195 -13.121 1.00 0.00 H new ATOM 0 HD3 LYS A 28 11.256 1.889 -13.413 1.00 0.00 H new ATOM 0 HE2 LYS A 28 11.427 0.307 -11.553 1.00 0.00 H new ATOM 0 HE3 LYS A 28 11.682 1.927 -10.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 10.012 0.278 -9.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 9.688 1.944 -9.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 8.938 0.892 -10.964 1.00 0.00 H new ATOM 445 N VAL A 29 9.362 7.614 -13.175 1.00 0.00 N ATOM 446 CA VAL A 29 9.602 9.004 -12.831 1.00 0.00 C ATOM 447 C VAL A 29 10.477 9.072 -11.577 1.00 0.00 C ATOM 448 O VAL A 29 10.316 8.268 -10.659 1.00 0.00 O ATOM 449 CB VAL A 29 8.270 9.740 -12.669 1.00 0.00 C ATOM 450 CG1 VAL A 29 7.359 9.494 -13.874 1.00 0.00 C ATOM 451 CG2 VAL A 29 7.577 9.339 -11.366 1.00 0.00 C ATOM 0 H VAL A 29 8.384 7.327 -13.136 1.00 0.00 H new ATOM 0 HA VAL A 29 10.142 9.507 -13.633 1.00 0.00 H new ATOM 0 HB VAL A 29 8.480 10.808 -12.620 1.00 0.00 H new ATOM 0 HG11 VAL A 29 6.419 10.028 -13.734 1.00 0.00 H new ATOM 0 HG12 VAL A 29 7.849 9.852 -14.780 1.00 0.00 H new ATOM 0 HG13 VAL A 29 7.160 8.426 -13.967 1.00 0.00 H new ATOM 0 HG21 VAL A 29 6.633 9.876 -11.276 1.00 0.00 H new ATOM 0 HG22 VAL A 29 7.385 8.266 -11.371 1.00 0.00 H new ATOM 0 HG23 VAL A 29 8.219 9.588 -10.521 1.00 0.00 H new ATOM 461 N TYR A 30 11.385 10.037 -11.579 1.00 0.00 N ATOM 462 CA TYR A 30 12.286 10.218 -10.454 1.00 0.00 C ATOM 463 C TYR A 30 12.066 11.581 -9.791 1.00 0.00 C ATOM 464 O TYR A 30 12.414 12.615 -10.359 1.00 0.00 O ATOM 465 CB TYR A 30 13.700 10.169 -11.033 1.00 0.00 C ATOM 466 CG TYR A 30 14.296 8.762 -11.103 1.00 0.00 C ATOM 467 CD1 TYR A 30 13.497 7.662 -10.864 1.00 0.00 C ATOM 468 CD2 TYR A 30 15.632 8.592 -11.405 1.00 0.00 C ATOM 469 CE1 TYR A 30 14.057 6.337 -10.929 1.00 0.00 C ATOM 470 CE2 TYR A 30 16.192 7.266 -11.469 1.00 0.00 C ATOM 471 CZ TYR A 30 15.377 6.205 -11.228 1.00 0.00 C ATOM 472 OH TYR A 30 15.907 4.954 -11.290 1.00 0.00 O ATOM 0 H TYR A 30 11.516 10.701 -12.342 1.00 0.00 H new ATOM 0 HA TYR A 30 12.117 9.450 -9.699 1.00 0.00 H new ATOM 0 HB2 TYR A 30 13.686 10.597 -12.036 1.00 0.00 H new ATOM 0 HB3 TYR A 30 14.352 10.799 -10.427 1.00 0.00 H new ATOM 0 HD1 TYR A 30 12.452 7.795 -10.628 1.00 0.00 H new ATOM 0 HD2 TYR A 30 16.257 9.452 -11.593 1.00 0.00 H new ATOM 0 HE1 TYR A 30 13.443 5.468 -10.745 1.00 0.00 H new ATOM 0 HE2 TYR A 30 17.236 7.118 -11.703 1.00 0.00 H new ATOM 0 HH TYR A 30 16.859 5.013 -11.514 1.00 0.00 H new ATOM 482 N ASP A 31 11.491 11.536 -8.598 1.00 0.00 N ATOM 483 CA ASP A 31 11.221 12.753 -7.851 1.00 0.00 C ATOM 484 C ASP A 31 12.515 13.245 -7.200 1.00 0.00 C ATOM 485 O ASP A 31 12.727 13.046 -6.005 1.00 0.00 O ATOM 486 CB ASP A 31 10.198 12.503 -6.741 1.00 0.00 C ATOM 487 CG ASP A 31 9.825 13.735 -5.916 1.00 0.00 C ATOM 488 OD1 ASP A 31 10.744 14.543 -5.654 1.00 0.00 O ATOM 489 OD2 ASP A 31 8.631 13.844 -5.566 1.00 0.00 O ATOM 0 H ASP A 31 11.205 10.676 -8.130 1.00 0.00 H new ATOM 0 HA ASP A 31 10.825 13.494 -8.546 1.00 0.00 H new ATOM 0 HB2 ASP A 31 9.291 12.096 -7.188 1.00 0.00 H new ATOM 0 HB3 ASP A 31 10.592 11.740 -6.069 1.00 0.00 H new ATOM 494 N LEU A 32 13.348 13.876 -8.015 1.00 0.00 N ATOM 495 CA LEU A 32 14.616 14.396 -7.533 1.00 0.00 C ATOM 496 C LEU A 32 14.450 15.873 -7.169 1.00 0.00 C ATOM 497 O LEU A 32 15.361 16.673 -7.378 1.00 0.00 O ATOM 498 CB LEU A 32 15.725 14.135 -8.555 1.00 0.00 C ATOM 499 CG LEU A 32 15.697 15.006 -9.812 1.00 0.00 C ATOM 500 CD1 LEU A 32 16.999 15.794 -9.963 1.00 0.00 C ATOM 501 CD2 LEU A 32 15.388 14.166 -11.054 1.00 0.00 C ATOM 0 H LEU A 32 13.169 14.039 -9.006 1.00 0.00 H new ATOM 0 HA LEU A 32 14.922 13.876 -6.625 1.00 0.00 H new ATOM 0 HB2 LEU A 32 16.687 14.275 -8.062 1.00 0.00 H new ATOM 0 HB3 LEU A 32 15.672 13.090 -8.860 1.00 0.00 H new ATOM 0 HG LEU A 32 14.892 15.733 -9.706 1.00 0.00 H new ATOM 0 HD11 LEU A 32 16.952 16.405 -10.865 1.00 0.00 H new ATOM 0 HD12 LEU A 32 17.137 16.439 -9.095 1.00 0.00 H new ATOM 0 HD13 LEU A 32 17.837 15.101 -10.037 1.00 0.00 H new ATOM 0 HD21 LEU A 32 15.374 14.809 -11.934 1.00 0.00 H new ATOM 0 HD22 LEU A 32 16.155 13.401 -11.176 1.00 0.00 H new ATOM 0 HD23 LEU A 32 14.415 13.689 -10.938 1.00 0.00 H new ATOM 513 N THR A 33 13.281 16.190 -6.632 1.00 0.00 N ATOM 514 CA THR A 33 12.985 17.556 -6.236 1.00 0.00 C ATOM 515 C THR A 33 14.029 18.062 -5.239 1.00 0.00 C ATOM 516 O THR A 33 14.616 19.124 -5.436 1.00 0.00 O ATOM 517 CB THR A 33 11.556 17.590 -5.689 1.00 0.00 C ATOM 518 OG1 THR A 33 10.767 17.045 -6.743 1.00 0.00 O ATOM 519 CG2 THR A 33 11.025 19.016 -5.526 1.00 0.00 C ATOM 0 H THR A 33 12.527 15.524 -6.462 1.00 0.00 H new ATOM 0 HA THR A 33 13.040 18.235 -7.087 1.00 0.00 H new ATOM 0 HB THR A 33 11.524 17.078 -4.727 1.00 0.00 H new ATOM 0 HG1 THR A 33 10.610 16.092 -6.575 1.00 0.00 H new ATOM 0 HG21 THR A 33 10.008 18.983 -5.135 1.00 0.00 H new ATOM 0 HG22 THR A 33 11.663 19.565 -4.833 1.00 0.00 H new ATOM 0 HG23 THR A 33 11.026 19.517 -6.494 1.00 0.00 H new ATOM 527 N LYS A 34 14.228 17.277 -4.191 1.00 0.00 N ATOM 528 CA LYS A 34 15.191 17.632 -3.163 1.00 0.00 C ATOM 529 C LYS A 34 16.600 17.607 -3.759 1.00 0.00 C ATOM 530 O LYS A 34 17.415 18.482 -3.471 1.00 0.00 O ATOM 531 CB LYS A 34 15.027 16.728 -1.939 1.00 0.00 C ATOM 532 CG LYS A 34 13.550 16.422 -1.679 1.00 0.00 C ATOM 533 CD LYS A 34 13.252 14.937 -1.899 1.00 0.00 C ATOM 534 CE LYS A 34 11.944 14.749 -2.671 1.00 0.00 C ATOM 535 NZ LYS A 34 10.790 14.752 -1.744 1.00 0.00 N ATOM 0 H LYS A 34 13.739 16.396 -4.032 1.00 0.00 H new ATOM 0 HA LYS A 34 15.011 18.647 -2.808 1.00 0.00 H new ATOM 0 HB2 LYS A 34 15.573 15.798 -2.093 1.00 0.00 H new ATOM 0 HB3 LYS A 34 15.462 17.211 -1.064 1.00 0.00 H new ATOM 0 HG2 LYS A 34 13.291 16.701 -0.658 1.00 0.00 H new ATOM 0 HG3 LYS A 34 12.928 17.024 -2.342 1.00 0.00 H new ATOM 0 HD2 LYS A 34 14.072 14.475 -2.448 1.00 0.00 H new ATOM 0 HD3 LYS A 34 13.187 14.429 -0.937 1.00 0.00 H new ATOM 0 HE2 LYS A 34 11.830 15.547 -3.405 1.00 0.00 H new ATOM 0 HE3 LYS A 34 11.972 13.809 -3.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 9.911 14.623 -2.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 10.893 13.976 -1.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 10.755 15.659 -1.236 1.00 0.00 H new ATOM 549 N TYR A 35 16.842 16.597 -4.581 1.00 0.00 N ATOM 550 CA TYR A 35 18.139 16.446 -5.220 1.00 0.00 C ATOM 551 C TYR A 35 18.180 17.193 -6.556 1.00 0.00 C ATOM 552 O TYR A 35 19.027 16.911 -7.402 1.00 0.00 O ATOM 553 CB TYR A 35 18.309 14.948 -5.482 1.00 0.00 C ATOM 554 CG TYR A 35 19.642 14.579 -6.135 1.00 0.00 C ATOM 555 CD1 TYR A 35 20.780 14.463 -5.363 1.00 0.00 C ATOM 556 CD2 TYR A 35 19.707 14.360 -7.496 1.00 0.00 C ATOM 557 CE1 TYR A 35 22.035 14.115 -5.978 1.00 0.00 C ATOM 558 CE2 TYR A 35 20.962 14.013 -8.111 1.00 0.00 C ATOM 559 CZ TYR A 35 22.064 13.907 -7.321 1.00 0.00 C ATOM 560 OH TYR A 35 23.249 13.579 -7.901 1.00 0.00 O ATOM 0 H TYR A 35 16.162 15.875 -4.820 1.00 0.00 H new ATOM 0 HA TYR A 35 18.929 16.851 -4.587 1.00 0.00 H new ATOM 0 HB2 TYR A 35 18.218 14.412 -4.538 1.00 0.00 H new ATOM 0 HB3 TYR A 35 17.496 14.607 -6.122 1.00 0.00 H new ATOM 0 HD1 TYR A 35 20.730 14.633 -4.298 1.00 0.00 H new ATOM 0 HD2 TYR A 35 18.816 14.449 -8.100 1.00 0.00 H new ATOM 0 HE1 TYR A 35 22.933 14.021 -5.385 1.00 0.00 H new ATOM 0 HE2 TYR A 35 21.027 13.841 -9.175 1.00 0.00 H new ATOM 0 HH TYR A 35 23.084 13.018 -8.687 1.00 0.00 H new ATOM 570 N LEU A 36 17.256 18.131 -6.701 1.00 0.00 N ATOM 571 CA LEU A 36 17.178 18.921 -7.919 1.00 0.00 C ATOM 572 C LEU A 36 18.297 19.963 -7.919 1.00 0.00 C ATOM 573 O LEU A 36 19.010 20.113 -8.910 1.00 0.00 O ATOM 574 CB LEU A 36 15.778 19.519 -8.079 1.00 0.00 C ATOM 575 CG LEU A 36 15.576 20.438 -9.286 1.00 0.00 C ATOM 576 CD1 LEU A 36 16.334 21.754 -9.106 1.00 0.00 C ATOM 577 CD2 LEU A 36 15.961 19.728 -10.585 1.00 0.00 C ATOM 0 H LEU A 36 16.555 18.362 -5.997 1.00 0.00 H new ATOM 0 HA LEU A 36 17.332 18.290 -8.794 1.00 0.00 H new ATOM 0 HB2 LEU A 36 15.060 18.701 -8.146 1.00 0.00 H new ATOM 0 HB3 LEU A 36 15.539 20.080 -7.176 1.00 0.00 H new ATOM 0 HG LEU A 36 14.516 20.684 -9.355 1.00 0.00 H new ATOM 0 HD11 LEU A 36 16.174 22.388 -9.978 1.00 0.00 H new ATOM 0 HD12 LEU A 36 15.971 22.264 -8.214 1.00 0.00 H new ATOM 0 HD13 LEU A 36 17.399 21.549 -8.998 1.00 0.00 H new ATOM 0 HD21 LEU A 36 15.808 20.403 -11.427 1.00 0.00 H new ATOM 0 HD22 LEU A 36 17.010 19.433 -10.542 1.00 0.00 H new ATOM 0 HD23 LEU A 36 15.340 18.841 -10.713 1.00 0.00 H new ATOM 589 N GLU A 37 18.414 20.658 -6.797 1.00 0.00 N ATOM 590 CA GLU A 37 19.435 21.683 -6.656 1.00 0.00 C ATOM 591 C GLU A 37 20.721 21.077 -6.091 1.00 0.00 C ATOM 592 O GLU A 37 21.761 21.733 -6.064 1.00 0.00 O ATOM 593 CB GLU A 37 18.939 22.832 -5.776 1.00 0.00 C ATOM 594 CG GLU A 37 17.840 23.629 -6.483 1.00 0.00 C ATOM 595 CD GLU A 37 17.638 24.993 -5.818 1.00 0.00 C ATOM 596 OE1 GLU A 37 16.952 25.019 -4.773 1.00 0.00 O ATOM 597 OE2 GLU A 37 18.173 25.978 -6.371 1.00 0.00 O ATOM 0 H GLU A 37 17.820 20.532 -5.978 1.00 0.00 H new ATOM 0 HA GLU A 37 19.652 22.091 -7.643 1.00 0.00 H new ATOM 0 HB2 GLU A 37 18.558 22.436 -4.835 1.00 0.00 H new ATOM 0 HB3 GLU A 37 19.771 23.492 -5.530 1.00 0.00 H new ATOM 0 HG2 GLU A 37 18.103 23.767 -7.532 1.00 0.00 H new ATOM 0 HG3 GLU A 37 16.906 23.067 -6.460 1.00 0.00 H new ATOM 604 N GLU A 38 20.609 19.831 -5.654 1.00 0.00 N ATOM 605 CA GLU A 38 21.751 19.129 -5.093 1.00 0.00 C ATOM 606 C GLU A 38 22.577 18.484 -6.206 1.00 0.00 C ATOM 607 O GLU A 38 23.765 18.218 -6.028 1.00 0.00 O ATOM 608 CB GLU A 38 21.302 18.086 -4.068 1.00 0.00 C ATOM 609 CG GLU A 38 22.048 18.262 -2.744 1.00 0.00 C ATOM 610 CD GLU A 38 22.719 16.955 -2.315 1.00 0.00 C ATOM 611 OE1 GLU A 38 23.875 16.746 -2.741 1.00 0.00 O ATOM 612 OE2 GLU A 38 22.061 16.197 -1.571 1.00 0.00 O ATOM 0 H GLU A 38 19.745 19.290 -5.677 1.00 0.00 H new ATOM 0 HA GLU A 38 22.380 19.853 -4.575 1.00 0.00 H new ATOM 0 HB2 GLU A 38 20.229 18.175 -3.899 1.00 0.00 H new ATOM 0 HB3 GLU A 38 21.481 17.085 -4.460 1.00 0.00 H new ATOM 0 HG2 GLU A 38 22.800 19.044 -2.847 1.00 0.00 H new ATOM 0 HG3 GLU A 38 21.352 18.589 -1.971 1.00 0.00 H new ATOM 619 N HIS A 39 21.917 18.251 -7.332 1.00 0.00 N ATOM 620 CA HIS A 39 22.575 17.642 -8.473 1.00 0.00 C ATOM 621 C HIS A 39 23.880 18.385 -8.770 1.00 0.00 C ATOM 622 O HIS A 39 23.883 19.606 -8.924 1.00 0.00 O ATOM 623 CB HIS A 39 21.635 17.591 -9.680 1.00 0.00 C ATOM 624 CG HIS A 39 22.048 16.596 -10.738 1.00 0.00 C ATOM 625 ND1 HIS A 39 21.992 16.874 -12.093 1.00 0.00 N ATOM 626 CD2 HIS A 39 22.524 15.322 -10.627 1.00 0.00 C ATOM 627 CE1 HIS A 39 22.415 15.809 -12.757 1.00 0.00 C ATOM 628 NE2 HIS A 39 22.744 14.848 -11.847 1.00 0.00 N ATOM 0 H HIS A 39 20.932 18.474 -7.477 1.00 0.00 H new ATOM 0 HA HIS A 39 22.830 16.608 -8.240 1.00 0.00 H new ATOM 0 HB2 HIS A 39 20.631 17.344 -9.335 1.00 0.00 H new ATOM 0 HB3 HIS A 39 21.583 18.583 -10.129 1.00 0.00 H new ATOM 0 HD1 HIS A 39 21.678 17.751 -12.509 1.00 0.00 H new ATOM 0 HD2 HIS A 39 22.693 14.789 -9.703 1.00 0.00 H new ATOM 0 HE1 HIS A 39 22.487 15.718 -13.831 1.00 0.00 H new ATOM 636 N PRO A 40 24.986 17.597 -8.843 1.00 0.00 N ATOM 637 CA PRO A 40 26.294 18.167 -9.118 1.00 0.00 C ATOM 638 C PRO A 40 26.426 18.549 -10.594 1.00 0.00 C ATOM 639 O PRO A 40 27.195 19.445 -10.941 1.00 0.00 O ATOM 640 CB PRO A 40 27.287 17.099 -8.691 1.00 0.00 C ATOM 641 CG PRO A 40 26.500 15.800 -8.628 1.00 0.00 C ATOM 642 CD PRO A 40 25.021 16.148 -8.667 1.00 0.00 C ATOM 0 HA PRO A 40 26.470 19.096 -8.575 1.00 0.00 H new ATOM 0 HB2 PRO A 40 28.109 17.023 -9.402 1.00 0.00 H new ATOM 0 HB3 PRO A 40 27.725 17.338 -7.722 1.00 0.00 H new ATOM 0 HG2 PRO A 40 26.762 15.154 -9.466 1.00 0.00 H new ATOM 0 HG3 PRO A 40 26.739 15.253 -7.716 1.00 0.00 H new ATOM 0 HD2 PRO A 40 24.515 15.637 -9.486 1.00 0.00 H new ATOM 0 HD3 PRO A 40 24.519 15.849 -7.747 1.00 0.00 H new ATOM 650 N GLY A 41 25.665 17.851 -11.423 1.00 0.00 N ATOM 651 CA GLY A 41 25.687 18.107 -12.853 1.00 0.00 C ATOM 652 C GLY A 41 25.091 19.479 -13.176 1.00 0.00 C ATOM 653 O GLY A 41 25.805 20.387 -13.598 1.00 0.00 O ATOM 0 H GLY A 41 25.029 17.108 -11.132 1.00 0.00 H new ATOM 0 HA2 GLY A 41 26.713 18.057 -13.219 1.00 0.00 H new ATOM 0 HA3 GLY A 41 25.125 17.331 -13.373 1.00 0.00 H new ATOM 657 N GLY A 42 23.787 19.586 -12.963 1.00 0.00 N ATOM 658 CA GLY A 42 23.086 20.831 -13.226 1.00 0.00 C ATOM 659 C GLY A 42 21.629 20.748 -12.767 1.00 0.00 C ATOM 660 O GLY A 42 21.005 19.691 -12.860 1.00 0.00 O ATOM 0 H GLY A 42 23.198 18.831 -12.611 1.00 0.00 H new ATOM 0 HA2 GLY A 42 23.587 21.650 -12.711 1.00 0.00 H new ATOM 0 HA3 GLY A 42 23.123 21.055 -14.292 1.00 0.00 H new ATOM 664 N GLU A 43 21.128 21.874 -12.282 1.00 0.00 N ATOM 665 CA GLU A 43 19.756 21.942 -11.809 1.00 0.00 C ATOM 666 C GLU A 43 18.804 22.203 -12.978 1.00 0.00 C ATOM 667 O GLU A 43 17.586 22.158 -12.813 1.00 0.00 O ATOM 668 CB GLU A 43 19.601 23.011 -10.727 1.00 0.00 C ATOM 669 CG GLU A 43 20.065 24.378 -11.235 1.00 0.00 C ATOM 670 CD GLU A 43 18.911 25.383 -11.236 1.00 0.00 C ATOM 671 OE1 GLU A 43 18.148 25.371 -10.246 1.00 0.00 O ATOM 672 OE2 GLU A 43 18.819 26.139 -12.226 1.00 0.00 O ATOM 0 H GLU A 43 21.648 22.748 -12.206 1.00 0.00 H new ATOM 0 HA GLU A 43 19.498 20.981 -11.363 1.00 0.00 H new ATOM 0 HB2 GLU A 43 18.558 23.070 -10.416 1.00 0.00 H new ATOM 0 HB3 GLU A 43 20.181 22.730 -9.848 1.00 0.00 H new ATOM 0 HG2 GLU A 43 20.874 24.748 -10.605 1.00 0.00 H new ATOM 0 HG3 GLU A 43 20.466 24.278 -12.244 1.00 0.00 H new ATOM 679 N GLU A 44 19.396 22.468 -14.133 1.00 0.00 N ATOM 680 CA GLU A 44 18.615 22.737 -15.329 1.00 0.00 C ATOM 681 C GLU A 44 18.488 21.468 -16.175 1.00 0.00 C ATOM 682 O GLU A 44 17.382 21.067 -16.536 1.00 0.00 O ATOM 683 CB GLU A 44 19.231 23.878 -16.142 1.00 0.00 C ATOM 684 CG GLU A 44 18.355 24.229 -17.345 1.00 0.00 C ATOM 685 CD GLU A 44 18.866 25.490 -18.046 1.00 0.00 C ATOM 686 OE1 GLU A 44 18.500 26.588 -17.577 1.00 0.00 O ATOM 687 OE2 GLU A 44 19.612 25.325 -19.037 1.00 0.00 O ATOM 0 H GLU A 44 20.407 22.502 -14.266 1.00 0.00 H new ATOM 0 HA GLU A 44 17.616 23.050 -15.025 1.00 0.00 H new ATOM 0 HB2 GLU A 44 19.353 24.756 -15.508 1.00 0.00 H new ATOM 0 HB3 GLU A 44 20.225 23.590 -16.483 1.00 0.00 H new ATOM 0 HG2 GLU A 44 18.346 23.396 -18.048 1.00 0.00 H new ATOM 0 HG3 GLU A 44 17.326 24.382 -17.018 1.00 0.00 H new ATOM 694 N VAL A 45 19.634 20.872 -16.468 1.00 0.00 N ATOM 695 CA VAL A 45 19.665 19.657 -17.264 1.00 0.00 C ATOM 696 C VAL A 45 18.509 18.747 -16.842 1.00 0.00 C ATOM 697 O VAL A 45 18.009 17.962 -17.645 1.00 0.00 O ATOM 698 CB VAL A 45 21.033 18.984 -17.140 1.00 0.00 C ATOM 699 CG1 VAL A 45 21.636 19.220 -15.754 1.00 0.00 C ATOM 700 CG2 VAL A 45 20.938 17.489 -17.450 1.00 0.00 C ATOM 0 H VAL A 45 20.549 21.208 -16.168 1.00 0.00 H new ATOM 0 HA VAL A 45 19.528 19.888 -18.320 1.00 0.00 H new ATOM 0 HB VAL A 45 21.698 19.437 -17.876 1.00 0.00 H new ATOM 0 HG11 VAL A 45 22.608 18.731 -15.692 1.00 0.00 H new ATOM 0 HG12 VAL A 45 21.757 20.290 -15.587 1.00 0.00 H new ATOM 0 HG13 VAL A 45 20.973 18.807 -14.994 1.00 0.00 H new ATOM 0 HG21 VAL A 45 21.924 17.034 -17.355 1.00 0.00 H new ATOM 0 HG22 VAL A 45 20.251 17.015 -16.749 1.00 0.00 H new ATOM 0 HG23 VAL A 45 20.572 17.351 -18.467 1.00 0.00 H new ATOM 710 N LEU A 46 18.120 18.883 -15.583 1.00 0.00 N ATOM 711 CA LEU A 46 17.034 18.083 -15.045 1.00 0.00 C ATOM 712 C LEU A 46 15.702 18.783 -15.325 1.00 0.00 C ATOM 713 O LEU A 46 14.767 18.165 -15.830 1.00 0.00 O ATOM 714 CB LEU A 46 17.272 17.783 -13.563 1.00 0.00 C ATOM 715 CG LEU A 46 18.733 17.627 -13.136 1.00 0.00 C ATOM 716 CD1 LEU A 46 18.953 18.176 -11.726 1.00 0.00 C ATOM 717 CD2 LEU A 46 19.188 16.172 -13.264 1.00 0.00 C ATOM 0 H LEU A 46 18.538 19.536 -14.920 1.00 0.00 H new ATOM 0 HA LEU A 46 16.995 17.113 -15.540 1.00 0.00 H new ATOM 0 HB2 LEU A 46 16.826 18.585 -12.974 1.00 0.00 H new ATOM 0 HB3 LEU A 46 16.740 16.866 -13.308 1.00 0.00 H new ATOM 0 HG LEU A 46 19.352 18.218 -13.811 1.00 0.00 H new ATOM 0 HD11 LEU A 46 19.999 18.053 -11.447 1.00 0.00 H new ATOM 0 HD12 LEU A 46 18.693 19.234 -11.703 1.00 0.00 H new ATOM 0 HD13 LEU A 46 18.323 17.633 -11.022 1.00 0.00 H new ATOM 0 HD21 LEU A 46 20.230 16.088 -12.955 1.00 0.00 H new ATOM 0 HD22 LEU A 46 18.568 15.540 -12.628 1.00 0.00 H new ATOM 0 HD23 LEU A 46 19.090 15.850 -14.301 1.00 0.00 H new ATOM 729 N ARG A 47 15.661 20.063 -14.984 1.00 0.00 N ATOM 730 CA ARG A 47 14.461 20.854 -15.192 1.00 0.00 C ATOM 731 C ARG A 47 14.169 20.993 -16.688 1.00 0.00 C ATOM 732 O ARG A 47 13.113 20.576 -17.160 1.00 0.00 O ATOM 733 CB ARG A 47 14.604 22.246 -14.576 1.00 0.00 C ATOM 734 CG ARG A 47 13.923 22.313 -13.208 1.00 0.00 C ATOM 735 CD ARG A 47 14.090 23.698 -12.579 1.00 0.00 C ATOM 736 NE ARG A 47 13.303 24.697 -13.338 1.00 0.00 N ATOM 737 CZ ARG A 47 13.765 25.364 -14.405 1.00 0.00 C ATOM 738 NH1 ARG A 47 15.012 25.145 -14.843 1.00 0.00 N ATOM 739 NH2 ARG A 47 12.980 26.251 -15.031 1.00 0.00 N ATOM 0 H ARG A 47 16.440 20.571 -14.565 1.00 0.00 H new ATOM 0 HA ARG A 47 13.635 20.337 -14.703 1.00 0.00 H new ATOM 0 HB2 ARG A 47 15.660 22.495 -14.473 1.00 0.00 H new ATOM 0 HB3 ARG A 47 14.165 22.989 -15.242 1.00 0.00 H new ATOM 0 HG2 ARG A 47 12.863 22.083 -13.314 1.00 0.00 H new ATOM 0 HG3 ARG A 47 14.349 21.557 -12.549 1.00 0.00 H new ATOM 0 HD2 ARG A 47 13.761 23.677 -11.540 1.00 0.00 H new ATOM 0 HD3 ARG A 47 15.143 23.980 -12.574 1.00 0.00 H new ATOM 0 HE ARG A 47 12.350 24.889 -13.030 1.00 0.00 H new ATOM 0 HH11 ARG A 47 15.610 24.471 -14.365 1.00 0.00 H new ATOM 0 HH12 ARG A 47 15.364 25.652 -15.655 1.00 0.00 H new ATOM 0 HH21 ARG A 47 12.031 26.418 -14.696 1.00 0.00 H new ATOM 0 HH22 ARG A 47 13.331 26.759 -15.843 1.00 0.00 H new ATOM 753 N GLU A 48 15.125 21.582 -17.392 1.00 0.00 N ATOM 754 CA GLU A 48 14.986 21.781 -18.825 1.00 0.00 C ATOM 755 C GLU A 48 14.195 20.628 -19.446 1.00 0.00 C ATOM 756 O GLU A 48 13.300 20.852 -20.260 1.00 0.00 O ATOM 757 CB GLU A 48 16.353 21.932 -19.493 1.00 0.00 C ATOM 758 CG GLU A 48 16.230 21.851 -21.017 1.00 0.00 C ATOM 759 CD GLU A 48 17.506 22.349 -21.697 1.00 0.00 C ATOM 760 OE1 GLU A 48 18.593 21.982 -21.202 1.00 0.00 O ATOM 761 OE2 GLU A 48 17.366 23.088 -22.696 1.00 0.00 O ATOM 0 H GLU A 48 15.999 21.928 -16.996 1.00 0.00 H new ATOM 0 HA GLU A 48 14.434 22.706 -18.992 1.00 0.00 H new ATOM 0 HB2 GLU A 48 16.796 22.887 -19.210 1.00 0.00 H new ATOM 0 HB3 GLU A 48 17.024 21.151 -19.137 1.00 0.00 H new ATOM 0 HG2 GLU A 48 16.033 20.821 -21.315 1.00 0.00 H new ATOM 0 HG3 GLU A 48 15.380 22.447 -21.349 1.00 0.00 H new ATOM 768 N GLN A 49 14.554 19.420 -19.039 1.00 0.00 N ATOM 769 CA GLN A 49 13.889 18.231 -19.546 1.00 0.00 C ATOM 770 C GLN A 49 13.442 17.338 -18.388 1.00 0.00 C ATOM 771 O GLN A 49 13.678 16.130 -18.402 1.00 0.00 O ATOM 772 CB GLN A 49 14.796 17.465 -20.510 1.00 0.00 C ATOM 773 CG GLN A 49 16.086 17.023 -19.815 1.00 0.00 C ATOM 774 CD GLN A 49 17.257 16.993 -20.801 1.00 0.00 C ATOM 775 OE1 GLN A 49 17.117 16.641 -21.960 1.00 0.00 O ATOM 776 NE2 GLN A 49 18.416 17.380 -20.275 1.00 0.00 N ATOM 0 H GLN A 49 15.297 19.238 -18.364 1.00 0.00 H new ATOM 0 HA GLN A 49 13.004 18.542 -20.101 1.00 0.00 H new ATOM 0 HB2 GLN A 49 14.269 16.592 -20.895 1.00 0.00 H new ATOM 0 HB3 GLN A 49 15.037 18.095 -21.366 1.00 0.00 H new ATOM 0 HG2 GLN A 49 16.314 17.704 -18.995 1.00 0.00 H new ATOM 0 HG3 GLN A 49 15.948 16.034 -19.379 1.00 0.00 H new ATOM 0 HE21 GLN A 49 18.463 17.663 -19.296 1.00 0.00 H new ATOM 0 HE22 GLN A 49 19.258 17.394 -20.851 1.00 0.00 H new ATOM 785 N ALA A 50 12.804 17.966 -17.411 1.00 0.00 N ATOM 786 CA ALA A 50 12.321 17.243 -16.246 1.00 0.00 C ATOM 787 C ALA A 50 11.119 16.386 -16.646 1.00 0.00 C ATOM 788 O ALA A 50 11.278 15.231 -17.039 1.00 0.00 O ATOM 789 CB ALA A 50 11.985 18.235 -15.131 1.00 0.00 C ATOM 0 H ALA A 50 12.610 18.967 -17.402 1.00 0.00 H new ATOM 0 HA ALA A 50 13.091 16.573 -15.864 1.00 0.00 H new ATOM 0 HB1 ALA A 50 11.623 17.692 -14.258 1.00 0.00 H new ATOM 0 HB2 ALA A 50 12.879 18.798 -14.863 1.00 0.00 H new ATOM 0 HB3 ALA A 50 11.213 18.923 -15.476 1.00 0.00 H new ATOM 795 N GLY A 51 9.942 16.983 -16.530 1.00 0.00 N ATOM 796 CA GLY A 51 8.713 16.289 -16.874 1.00 0.00 C ATOM 797 C GLY A 51 8.891 15.457 -18.146 1.00 0.00 C ATOM 798 O GLY A 51 8.285 14.395 -18.286 1.00 0.00 O ATOM 0 H GLY A 51 9.814 17.940 -16.202 1.00 0.00 H new ATOM 0 HA2 GLY A 51 8.414 15.641 -16.050 1.00 0.00 H new ATOM 0 HA3 GLY A 51 7.911 17.013 -17.018 1.00 0.00 H new ATOM 802 N GLY A 52 9.723 15.970 -19.039 1.00 0.00 N ATOM 803 CA GLY A 52 9.989 15.288 -20.294 1.00 0.00 C ATOM 804 C GLY A 52 10.592 13.903 -20.048 1.00 0.00 C ATOM 805 O GLY A 52 10.139 13.173 -19.168 1.00 0.00 O ATOM 0 H GLY A 52 10.223 16.851 -18.919 1.00 0.00 H new ATOM 0 HA2 GLY A 52 9.064 15.190 -20.862 1.00 0.00 H new ATOM 0 HA3 GLY A 52 10.673 15.884 -20.898 1.00 0.00 H new ATOM 809 N ASP A 53 11.604 13.584 -20.842 1.00 0.00 N ATOM 810 CA ASP A 53 12.273 12.300 -20.721 1.00 0.00 C ATOM 811 C ASP A 53 13.786 12.509 -20.801 1.00 0.00 C ATOM 812 O ASP A 53 14.305 12.928 -21.836 1.00 0.00 O ATOM 813 CB ASP A 53 11.865 11.358 -21.856 1.00 0.00 C ATOM 814 CG ASP A 53 12.294 11.806 -23.255 1.00 0.00 C ATOM 815 OD1 ASP A 53 12.091 13.003 -23.554 1.00 0.00 O ATOM 816 OD2 ASP A 53 12.815 10.943 -23.993 1.00 0.00 O ATOM 0 H ASP A 53 11.977 14.192 -21.571 1.00 0.00 H new ATOM 0 HA ASP A 53 11.988 11.859 -19.766 1.00 0.00 H new ATOM 0 HB2 ASP A 53 12.289 10.373 -21.660 1.00 0.00 H new ATOM 0 HB3 ASP A 53 10.781 11.247 -21.843 1.00 0.00 H new ATOM 821 N ALA A 54 14.453 12.209 -19.697 1.00 0.00 N ATOM 822 CA ALA A 54 15.897 12.360 -19.629 1.00 0.00 C ATOM 823 C ALA A 54 16.544 10.977 -19.527 1.00 0.00 C ATOM 824 O ALA A 54 17.649 10.843 -19.002 1.00 0.00 O ATOM 825 CB ALA A 54 16.261 13.263 -18.449 1.00 0.00 C ATOM 0 H ALA A 54 14.020 11.862 -18.841 1.00 0.00 H new ATOM 0 HA ALA A 54 16.277 12.837 -20.533 1.00 0.00 H new ATOM 0 HB1 ALA A 54 17.344 13.376 -18.398 1.00 0.00 H new ATOM 0 HB2 ALA A 54 15.800 14.241 -18.584 1.00 0.00 H new ATOM 0 HB3 ALA A 54 15.899 12.816 -17.523 1.00 0.00 H new ATOM 831 N THR A 55 15.829 9.985 -20.037 1.00 0.00 N ATOM 832 CA THR A 55 16.322 8.618 -20.009 1.00 0.00 C ATOM 833 C THR A 55 17.747 8.553 -20.559 1.00 0.00 C ATOM 834 O THR A 55 18.699 8.355 -19.805 1.00 0.00 O ATOM 835 CB THR A 55 15.332 7.744 -20.782 1.00 0.00 C ATOM 836 OG1 THR A 55 14.160 7.747 -19.973 1.00 0.00 O ATOM 837 CG2 THR A 55 15.754 6.274 -20.821 1.00 0.00 C ATOM 0 H THR A 55 14.913 10.100 -20.471 1.00 0.00 H new ATOM 0 HA THR A 55 16.384 8.241 -18.988 1.00 0.00 H new ATOM 0 HB THR A 55 15.235 8.121 -21.800 1.00 0.00 H new ATOM 0 HG1 THR A 55 14.206 8.488 -19.333 1.00 0.00 H new ATOM 0 HG21 THR A 55 15.017 5.699 -21.381 1.00 0.00 H new ATOM 0 HG22 THR A 55 16.727 6.187 -21.305 1.00 0.00 H new ATOM 0 HG23 THR A 55 15.819 5.887 -19.804 1.00 0.00 H new ATOM 845 N GLU A 56 17.851 8.723 -21.869 1.00 0.00 N ATOM 846 CA GLU A 56 19.145 8.686 -22.528 1.00 0.00 C ATOM 847 C GLU A 56 20.062 9.770 -21.959 1.00 0.00 C ATOM 848 O GLU A 56 21.268 9.562 -21.825 1.00 0.00 O ATOM 849 CB GLU A 56 18.994 8.837 -24.043 1.00 0.00 C ATOM 850 CG GLU A 56 18.249 7.642 -24.642 1.00 0.00 C ATOM 851 CD GLU A 56 17.546 8.029 -25.944 1.00 0.00 C ATOM 852 OE1 GLU A 56 16.862 9.076 -25.929 1.00 0.00 O ATOM 853 OE2 GLU A 56 17.706 7.270 -26.924 1.00 0.00 O ATOM 0 H GLU A 56 17.060 8.887 -22.492 1.00 0.00 H new ATOM 0 HA GLU A 56 19.600 7.714 -22.336 1.00 0.00 H new ATOM 0 HB2 GLU A 56 18.454 9.757 -24.268 1.00 0.00 H new ATOM 0 HB3 GLU A 56 19.978 8.924 -24.503 1.00 0.00 H new ATOM 0 HG2 GLU A 56 18.951 6.830 -24.831 1.00 0.00 H new ATOM 0 HG3 GLU A 56 17.516 7.270 -23.926 1.00 0.00 H new ATOM 860 N ASN A 57 19.457 10.904 -21.638 1.00 0.00 N ATOM 861 CA ASN A 57 20.205 12.021 -21.085 1.00 0.00 C ATOM 862 C ASN A 57 20.801 11.613 -19.737 1.00 0.00 C ATOM 863 O ASN A 57 21.793 12.190 -19.293 1.00 0.00 O ATOM 864 CB ASN A 57 19.295 13.230 -20.853 1.00 0.00 C ATOM 865 CG ASN A 57 19.347 14.192 -22.043 1.00 0.00 C ATOM 866 OD1 ASN A 57 18.377 14.390 -22.756 1.00 0.00 O ATOM 867 ND2 ASN A 57 20.530 14.775 -22.216 1.00 0.00 N ATOM 0 H ASN A 57 18.457 11.074 -21.750 1.00 0.00 H new ATOM 0 HA ASN A 57 20.988 12.288 -21.795 1.00 0.00 H new ATOM 0 HB2 ASN A 57 18.270 12.894 -20.697 1.00 0.00 H new ATOM 0 HB3 ASN A 57 19.601 13.751 -19.946 1.00 0.00 H new ATOM 0 HD21 ASN A 57 20.667 15.433 -22.983 1.00 0.00 H new ATOM 0 HD22 ASN A 57 21.300 14.564 -21.582 1.00 0.00 H new ATOM 874 N PHE A 58 20.172 10.621 -19.123 1.00 0.00 N ATOM 875 CA PHE A 58 20.630 10.129 -17.835 1.00 0.00 C ATOM 876 C PHE A 58 21.610 8.968 -18.008 1.00 0.00 C ATOM 877 O PHE A 58 22.603 8.877 -17.288 1.00 0.00 O ATOM 878 CB PHE A 58 19.394 9.630 -17.083 1.00 0.00 C ATOM 879 CG PHE A 58 19.696 8.564 -16.028 1.00 0.00 C ATOM 880 CD1 PHE A 58 19.965 7.286 -16.409 1.00 0.00 C ATOM 881 CD2 PHE A 58 19.697 8.894 -14.709 1.00 0.00 C ATOM 882 CE1 PHE A 58 20.245 6.298 -15.430 1.00 0.00 C ATOM 883 CE2 PHE A 58 19.978 7.905 -13.729 1.00 0.00 C ATOM 884 CZ PHE A 58 20.246 6.628 -14.111 1.00 0.00 C ATOM 0 H PHE A 58 19.349 10.145 -19.494 1.00 0.00 H new ATOM 0 HA PHE A 58 21.143 10.924 -17.294 1.00 0.00 H new ATOM 0 HB2 PHE A 58 18.909 10.478 -16.600 1.00 0.00 H new ATOM 0 HB3 PHE A 58 18.683 9.223 -17.802 1.00 0.00 H new ATOM 0 HD1 PHE A 58 19.965 7.024 -17.457 1.00 0.00 H new ATOM 0 HD2 PHE A 58 19.484 9.909 -14.406 1.00 0.00 H new ATOM 0 HE1 PHE A 58 20.457 5.283 -15.733 1.00 0.00 H new ATOM 0 HE2 PHE A 58 19.979 8.167 -12.681 1.00 0.00 H new ATOM 0 HZ PHE A 58 20.460 5.875 -13.366 1.00 0.00 H new ATOM 894 N GLU A 59 21.299 8.110 -18.969 1.00 0.00 N ATOM 895 CA GLU A 59 22.140 6.959 -19.245 1.00 0.00 C ATOM 896 C GLU A 59 23.380 7.385 -20.037 1.00 0.00 C ATOM 897 O GLU A 59 24.443 6.782 -19.900 1.00 0.00 O ATOM 898 CB GLU A 59 21.359 5.876 -19.992 1.00 0.00 C ATOM 899 CG GLU A 59 20.217 5.331 -19.131 1.00 0.00 C ATOM 900 CD GLU A 59 19.725 3.983 -19.663 1.00 0.00 C ATOM 901 OE1 GLU A 59 19.050 4.000 -20.714 1.00 0.00 O ATOM 902 OE2 GLU A 59 20.036 2.965 -19.005 1.00 0.00 O ATOM 0 H GLU A 59 20.476 8.190 -19.566 1.00 0.00 H new ATOM 0 HA GLU A 59 22.466 6.536 -18.295 1.00 0.00 H new ATOM 0 HB2 GLU A 59 20.957 6.286 -20.918 1.00 0.00 H new ATOM 0 HB3 GLU A 59 22.031 5.063 -20.268 1.00 0.00 H new ATOM 0 HG2 GLU A 59 20.555 5.218 -18.101 1.00 0.00 H new ATOM 0 HG3 GLU A 59 19.393 6.044 -19.120 1.00 0.00 H new ATOM 909 N ASP A 60 23.200 8.420 -20.843 1.00 0.00 N ATOM 910 CA ASP A 60 24.289 8.933 -21.656 1.00 0.00 C ATOM 911 C ASP A 60 25.404 9.445 -20.740 1.00 0.00 C ATOM 912 O ASP A 60 26.581 9.186 -20.986 1.00 0.00 O ATOM 913 CB ASP A 60 23.823 10.098 -22.530 1.00 0.00 C ATOM 914 CG ASP A 60 24.901 10.700 -23.434 1.00 0.00 C ATOM 915 OD1 ASP A 60 25.995 10.099 -23.491 1.00 0.00 O ATOM 916 OD2 ASP A 60 24.607 11.749 -24.047 1.00 0.00 O ATOM 0 H ASP A 60 22.316 8.918 -20.951 1.00 0.00 H new ATOM 0 HA ASP A 60 24.644 8.124 -22.294 1.00 0.00 H new ATOM 0 HB2 ASP A 60 22.996 9.757 -23.153 1.00 0.00 H new ATOM 0 HB3 ASP A 60 23.432 10.884 -21.884 1.00 0.00 H new ATOM 921 N VAL A 61 24.994 10.163 -19.706 1.00 0.00 N ATOM 922 CA VAL A 61 25.942 10.714 -18.754 1.00 0.00 C ATOM 923 C VAL A 61 26.551 9.577 -17.931 1.00 0.00 C ATOM 924 O VAL A 61 27.588 9.753 -17.293 1.00 0.00 O ATOM 925 CB VAL A 61 25.260 11.778 -17.891 1.00 0.00 C ATOM 926 CG1 VAL A 61 24.500 12.783 -18.759 1.00 0.00 C ATOM 927 CG2 VAL A 61 24.334 11.135 -16.857 1.00 0.00 C ATOM 0 H VAL A 61 24.017 10.376 -19.506 1.00 0.00 H new ATOM 0 HA VAL A 61 26.759 11.213 -19.275 1.00 0.00 H new ATOM 0 HB VAL A 61 26.037 12.321 -17.352 1.00 0.00 H new ATOM 0 HG11 VAL A 61 24.025 13.528 -18.121 1.00 0.00 H new ATOM 0 HG12 VAL A 61 25.196 13.277 -19.438 1.00 0.00 H new ATOM 0 HG13 VAL A 61 23.738 12.261 -19.337 1.00 0.00 H new ATOM 0 HG21 VAL A 61 23.862 11.913 -16.257 1.00 0.00 H new ATOM 0 HG22 VAL A 61 23.566 10.555 -17.368 1.00 0.00 H new ATOM 0 HG23 VAL A 61 24.913 10.478 -16.208 1.00 0.00 H new ATOM 937 N GLY A 62 25.880 8.435 -17.971 1.00 0.00 N ATOM 938 CA GLY A 62 26.341 7.269 -17.237 1.00 0.00 C ATOM 939 C GLY A 62 26.427 7.564 -15.738 1.00 0.00 C ATOM 940 O GLY A 62 27.492 7.914 -15.231 1.00 0.00 O ATOM 0 H GLY A 62 25.020 8.293 -18.501 1.00 0.00 H new ATOM 0 HA2 GLY A 62 25.661 6.434 -17.409 1.00 0.00 H new ATOM 0 HA3 GLY A 62 27.320 6.965 -17.608 1.00 0.00 H new ATOM 944 N HIS A 63 25.293 7.412 -15.071 1.00 0.00 N ATOM 945 CA HIS A 63 25.227 7.656 -13.640 1.00 0.00 C ATOM 946 C HIS A 63 25.996 6.563 -12.897 1.00 0.00 C ATOM 947 O HIS A 63 25.926 5.391 -13.262 1.00 0.00 O ATOM 948 CB HIS A 63 23.774 7.779 -13.177 1.00 0.00 C ATOM 949 CG HIS A 63 23.144 9.118 -13.481 1.00 0.00 C ATOM 950 ND1 HIS A 63 22.871 9.542 -14.770 1.00 0.00 N ATOM 951 CD2 HIS A 63 22.735 10.120 -12.652 1.00 0.00 C ATOM 952 CE1 HIS A 63 22.324 10.747 -14.707 1.00 0.00 C ATOM 953 NE2 HIS A 63 22.241 11.103 -13.393 1.00 0.00 N ATOM 0 H HIS A 63 24.412 7.123 -15.495 1.00 0.00 H new ATOM 0 HA HIS A 63 25.703 8.608 -13.407 1.00 0.00 H new ATOM 0 HB2 HIS A 63 23.184 6.995 -13.652 1.00 0.00 H new ATOM 0 HB3 HIS A 63 23.730 7.604 -12.102 1.00 0.00 H new ATOM 0 HD1 HIS A 63 23.059 9.016 -15.623 1.00 0.00 H new ATOM 0 HD2 HIS A 63 22.802 10.114 -11.574 1.00 0.00 H new ATOM 0 HE1 HIS A 63 22.001 11.343 -15.548 1.00 0.00 H new ATOM 961 N SER A 64 26.712 6.985 -11.865 1.00 0.00 N ATOM 962 CA SER A 64 27.493 6.057 -11.066 1.00 0.00 C ATOM 963 C SER A 64 26.589 5.343 -10.059 1.00 0.00 C ATOM 964 O SER A 64 25.431 5.717 -9.886 1.00 0.00 O ATOM 965 CB SER A 64 28.631 6.778 -10.339 1.00 0.00 C ATOM 966 OG SER A 64 29.912 6.313 -10.759 1.00 0.00 O ATOM 0 H SER A 64 26.767 7.958 -11.564 1.00 0.00 H new ATOM 0 HA SER A 64 27.935 5.319 -11.735 1.00 0.00 H new ATOM 0 HB2 SER A 64 28.556 7.850 -10.522 1.00 0.00 H new ATOM 0 HB3 SER A 64 28.526 6.630 -9.264 1.00 0.00 H new ATOM 0 HG SER A 64 30.611 6.798 -10.274 1.00 0.00 H new ATOM 972 N THR A 65 27.153 4.328 -9.421 1.00 0.00 N ATOM 973 CA THR A 65 26.413 3.558 -8.437 1.00 0.00 C ATOM 974 C THR A 65 25.769 4.489 -7.406 1.00 0.00 C ATOM 975 O THR A 65 24.592 4.339 -7.079 1.00 0.00 O ATOM 976 CB THR A 65 27.367 2.536 -7.819 1.00 0.00 C ATOM 977 OG1 THR A 65 27.178 1.363 -8.605 1.00 0.00 O ATOM 978 CG2 THR A 65 26.943 2.114 -6.411 1.00 0.00 C ATOM 0 H THR A 65 28.115 4.021 -9.567 1.00 0.00 H new ATOM 0 HA THR A 65 25.589 3.015 -8.899 1.00 0.00 H new ATOM 0 HB THR A 65 28.373 2.955 -7.784 1.00 0.00 H new ATOM 0 HG1 THR A 65 27.761 0.649 -8.273 1.00 0.00 H new ATOM 0 HG21 THR A 65 27.655 1.387 -6.019 1.00 0.00 H new ATOM 0 HG22 THR A 65 26.921 2.988 -5.760 1.00 0.00 H new ATOM 0 HG23 THR A 65 25.950 1.665 -6.449 1.00 0.00 H new ATOM 986 N ASP A 66 26.568 5.428 -6.925 1.00 0.00 N ATOM 987 CA ASP A 66 26.091 6.383 -5.939 1.00 0.00 C ATOM 988 C ASP A 66 24.684 6.846 -6.322 1.00 0.00 C ATOM 989 O ASP A 66 23.816 6.983 -5.461 1.00 0.00 O ATOM 990 CB ASP A 66 26.995 7.616 -5.884 1.00 0.00 C ATOM 991 CG ASP A 66 28.050 7.596 -4.776 1.00 0.00 C ATOM 992 OD1 ASP A 66 27.720 7.081 -3.687 1.00 0.00 O ATOM 993 OD2 ASP A 66 29.165 8.096 -5.044 1.00 0.00 O ATOM 0 H ASP A 66 27.543 5.549 -7.199 1.00 0.00 H new ATOM 0 HA ASP A 66 26.092 5.891 -4.966 1.00 0.00 H new ATOM 0 HB2 ASP A 66 27.500 7.720 -6.844 1.00 0.00 H new ATOM 0 HB3 ASP A 66 26.371 8.500 -5.755 1.00 0.00 H new ATOM 998 N ALA A 67 24.501 7.073 -7.615 1.00 0.00 N ATOM 999 CA ALA A 67 23.214 7.516 -8.122 1.00 0.00 C ATOM 1000 C ALA A 67 22.189 6.393 -7.952 1.00 0.00 C ATOM 1001 O ALA A 67 21.074 6.631 -7.490 1.00 0.00 O ATOM 1002 CB ALA A 67 23.364 7.953 -9.580 1.00 0.00 C ATOM 0 H ALA A 67 25.223 6.958 -8.326 1.00 0.00 H new ATOM 0 HA ALA A 67 22.855 8.377 -7.558 1.00 0.00 H new ATOM 0 HB1 ALA A 67 22.399 8.286 -9.961 1.00 0.00 H new ATOM 0 HB2 ALA A 67 24.081 8.772 -9.642 1.00 0.00 H new ATOM 0 HB3 ALA A 67 23.720 7.113 -10.177 1.00 0.00 H new ATOM 1008 N ARG A 68 22.603 5.194 -8.335 1.00 0.00 N ATOM 1009 CA ARG A 68 21.735 4.034 -8.229 1.00 0.00 C ATOM 1010 C ARG A 68 20.998 4.041 -6.888 1.00 0.00 C ATOM 1011 O ARG A 68 19.812 3.722 -6.826 1.00 0.00 O ATOM 1012 CB ARG A 68 22.533 2.735 -8.358 1.00 0.00 C ATOM 1013 CG ARG A 68 21.969 1.852 -9.473 1.00 0.00 C ATOM 1014 CD ARG A 68 22.576 0.448 -9.421 1.00 0.00 C ATOM 1015 NE ARG A 68 21.938 -0.416 -10.439 1.00 0.00 N ATOM 1016 CZ ARG A 68 22.474 -1.555 -10.899 1.00 0.00 C ATOM 1017 NH1 ARG A 68 23.659 -1.974 -10.434 1.00 0.00 N ATOM 1018 NH2 ARG A 68 21.824 -2.275 -11.824 1.00 0.00 N ATOM 0 H ARG A 68 23.528 5.001 -8.719 1.00 0.00 H new ATOM 0 HA ARG A 68 21.013 4.086 -9.044 1.00 0.00 H new ATOM 0 HB2 ARG A 68 23.578 2.965 -8.565 1.00 0.00 H new ATOM 0 HB3 ARG A 68 22.508 2.193 -7.413 1.00 0.00 H new ATOM 0 HG2 ARG A 68 20.885 1.787 -9.377 1.00 0.00 H new ATOM 0 HG3 ARG A 68 22.177 2.306 -10.442 1.00 0.00 H new ATOM 0 HD2 ARG A 68 23.650 0.500 -9.598 1.00 0.00 H new ATOM 0 HD3 ARG A 68 22.437 0.019 -8.429 1.00 0.00 H new ATOM 0 HE ARG A 68 21.034 -0.127 -10.814 1.00 0.00 H new ATOM 0 HH11 ARG A 68 24.153 -1.426 -9.730 1.00 0.00 H new ATOM 0 HH12 ARG A 68 24.067 -2.841 -10.784 1.00 0.00 H new ATOM 0 HH21 ARG A 68 20.922 -1.956 -12.177 1.00 0.00 H new ATOM 0 HH22 ARG A 68 22.231 -3.142 -12.174 1.00 0.00 H new ATOM 1032 N GLU A 69 21.732 4.409 -5.849 1.00 0.00 N ATOM 1033 CA GLU A 69 21.163 4.463 -4.513 1.00 0.00 C ATOM 1034 C GLU A 69 20.154 5.608 -4.410 1.00 0.00 C ATOM 1035 O GLU A 69 19.010 5.399 -4.008 1.00 0.00 O ATOM 1036 CB GLU A 69 22.259 4.602 -3.454 1.00 0.00 C ATOM 1037 CG GLU A 69 22.869 3.240 -3.115 1.00 0.00 C ATOM 1038 CD GLU A 69 22.030 2.509 -2.065 1.00 0.00 C ATOM 1039 OE1 GLU A 69 21.909 3.061 -0.951 1.00 0.00 O ATOM 1040 OE2 GLU A 69 21.527 1.416 -2.402 1.00 0.00 O ATOM 0 H GLU A 69 22.716 4.673 -5.905 1.00 0.00 H new ATOM 0 HA GLU A 69 20.639 3.526 -4.326 1.00 0.00 H new ATOM 0 HB2 GLU A 69 23.037 5.273 -3.817 1.00 0.00 H new ATOM 0 HB3 GLU A 69 21.844 5.053 -2.553 1.00 0.00 H new ATOM 0 HG2 GLU A 69 22.937 2.633 -4.018 1.00 0.00 H new ATOM 0 HG3 GLU A 69 23.885 3.375 -2.744 1.00 0.00 H new ATOM 1047 N LEU A 70 20.614 6.794 -4.782 1.00 0.00 N ATOM 1048 CA LEU A 70 19.767 7.973 -4.737 1.00 0.00 C ATOM 1049 C LEU A 70 18.519 7.731 -5.590 1.00 0.00 C ATOM 1050 O LEU A 70 17.407 7.672 -5.066 1.00 0.00 O ATOM 1051 CB LEU A 70 20.557 9.218 -5.144 1.00 0.00 C ATOM 1052 CG LEU A 70 21.316 9.927 -4.020 1.00 0.00 C ATOM 1053 CD1 LEU A 70 21.781 8.930 -2.957 1.00 0.00 C ATOM 1054 CD2 LEU A 70 22.476 10.754 -4.578 1.00 0.00 C ATOM 0 H LEU A 70 21.563 6.963 -5.116 1.00 0.00 H new ATOM 0 HA LEU A 70 19.428 8.159 -3.718 1.00 0.00 H new ATOM 0 HB2 LEU A 70 21.272 8.934 -5.916 1.00 0.00 H new ATOM 0 HB3 LEU A 70 19.867 9.931 -5.596 1.00 0.00 H new ATOM 0 HG LEU A 70 20.632 10.621 -3.532 1.00 0.00 H new ATOM 0 HD11 LEU A 70 22.317 9.461 -2.170 1.00 0.00 H new ATOM 0 HD12 LEU A 70 20.915 8.425 -2.529 1.00 0.00 H new ATOM 0 HD13 LEU A 70 22.442 8.193 -3.414 1.00 0.00 H new ATOM 0 HD21 LEU A 70 22.998 11.247 -3.758 1.00 0.00 H new ATOM 0 HD22 LEU A 70 23.168 10.099 -5.108 1.00 0.00 H new ATOM 0 HD23 LEU A 70 22.089 11.506 -5.266 1.00 0.00 H new ATOM 1066 N SER A 71 18.745 7.599 -6.888 1.00 0.00 N ATOM 1067 CA SER A 71 17.653 7.365 -7.818 1.00 0.00 C ATOM 1068 C SER A 71 16.558 6.537 -7.142 1.00 0.00 C ATOM 1069 O SER A 71 15.412 6.974 -7.051 1.00 0.00 O ATOM 1070 CB SER A 71 18.148 6.659 -9.082 1.00 0.00 C ATOM 1071 OG SER A 71 18.968 7.508 -9.881 1.00 0.00 O ATOM 0 H SER A 71 19.668 7.650 -7.318 1.00 0.00 H new ATOM 0 HA SER A 71 17.241 8.330 -8.111 1.00 0.00 H new ATOM 0 HB2 SER A 71 18.711 5.769 -8.803 1.00 0.00 H new ATOM 0 HB3 SER A 71 17.293 6.324 -9.669 1.00 0.00 H new ATOM 0 HG SER A 71 19.265 7.021 -10.678 1.00 0.00 H new ATOM 1077 N LYS A 72 16.950 5.357 -6.684 1.00 0.00 N ATOM 1078 CA LYS A 72 16.016 4.465 -6.020 1.00 0.00 C ATOM 1079 C LYS A 72 15.380 5.192 -4.833 1.00 0.00 C ATOM 1080 O LYS A 72 14.157 5.221 -4.702 1.00 0.00 O ATOM 1081 CB LYS A 72 16.706 3.154 -5.639 1.00 0.00 C ATOM 1082 CG LYS A 72 16.276 2.018 -6.569 1.00 0.00 C ATOM 1083 CD LYS A 72 17.120 2.003 -7.845 1.00 0.00 C ATOM 1084 CE LYS A 72 18.116 0.841 -7.829 1.00 0.00 C ATOM 1085 NZ LYS A 72 17.931 -0.015 -9.022 1.00 0.00 N ATOM 0 H LYS A 72 17.902 4.998 -6.760 1.00 0.00 H new ATOM 0 HA LYS A 72 15.207 4.188 -6.696 1.00 0.00 H new ATOM 0 HB2 LYS A 72 17.788 3.280 -5.689 1.00 0.00 H new ATOM 0 HB3 LYS A 72 16.462 2.897 -4.608 1.00 0.00 H new ATOM 0 HG2 LYS A 72 16.375 1.063 -6.052 1.00 0.00 H new ATOM 0 HG3 LYS A 72 15.223 2.133 -6.827 1.00 0.00 H new ATOM 0 HD2 LYS A 72 16.469 1.917 -8.715 1.00 0.00 H new ATOM 0 HD3 LYS A 72 17.658 2.946 -7.941 1.00 0.00 H new ATOM 0 HE2 LYS A 72 19.135 1.228 -7.806 1.00 0.00 H new ATOM 0 HE3 LYS A 72 17.979 0.249 -6.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 18.614 -0.799 -8.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 16.964 -0.398 -9.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 18.084 0.550 -9.882 1.00 0.00 H new ATOM 1099 N THR A 73 16.238 5.760 -3.999 1.00 0.00 N ATOM 1100 CA THR A 73 15.775 6.485 -2.828 1.00 0.00 C ATOM 1101 C THR A 73 14.835 7.619 -3.240 1.00 0.00 C ATOM 1102 O THR A 73 13.920 7.974 -2.498 1.00 0.00 O ATOM 1103 CB THR A 73 17.004 6.965 -2.053 1.00 0.00 C ATOM 1104 OG1 THR A 73 17.059 6.101 -0.921 1.00 0.00 O ATOM 1105 CG2 THR A 73 16.808 8.357 -1.449 1.00 0.00 C ATOM 0 H THR A 73 17.251 5.733 -4.111 1.00 0.00 H new ATOM 0 HA THR A 73 15.189 5.842 -2.171 1.00 0.00 H new ATOM 0 HB THR A 73 17.870 6.975 -2.715 1.00 0.00 H new ATOM 0 HG1 THR A 73 17.829 6.341 -0.364 1.00 0.00 H new ATOM 0 HG21 THR A 73 17.709 8.650 -0.910 1.00 0.00 H new ATOM 0 HG22 THR A 73 16.612 9.075 -2.245 1.00 0.00 H new ATOM 0 HG23 THR A 73 15.963 8.339 -0.761 1.00 0.00 H new ATOM 1113 N TYR A 74 15.093 8.159 -4.423 1.00 0.00 N ATOM 1114 CA TYR A 74 14.281 9.246 -4.942 1.00 0.00 C ATOM 1115 C TYR A 74 13.258 8.730 -5.956 1.00 0.00 C ATOM 1116 O TYR A 74 13.035 9.357 -6.991 1.00 0.00 O ATOM 1117 CB TYR A 74 15.250 10.195 -5.650 1.00 0.00 C ATOM 1118 CG TYR A 74 16.011 11.126 -4.705 1.00 0.00 C ATOM 1119 CD1 TYR A 74 17.181 10.700 -4.110 1.00 0.00 C ATOM 1120 CD2 TYR A 74 15.528 12.394 -4.448 1.00 0.00 C ATOM 1121 CE1 TYR A 74 17.897 11.577 -3.220 1.00 0.00 C ATOM 1122 CE2 TYR A 74 16.244 13.271 -3.559 1.00 0.00 C ATOM 1123 CZ TYR A 74 17.393 12.820 -2.988 1.00 0.00 C ATOM 1124 OH TYR A 74 18.069 13.648 -2.149 1.00 0.00 O ATOM 0 H TYR A 74 15.853 7.864 -5.036 1.00 0.00 H new ATOM 0 HA TYR A 74 13.732 9.734 -4.137 1.00 0.00 H new ATOM 0 HB2 TYR A 74 15.969 9.606 -6.219 1.00 0.00 H new ATOM 0 HB3 TYR A 74 14.693 10.798 -6.367 1.00 0.00 H new ATOM 0 HD1 TYR A 74 17.560 9.709 -4.312 1.00 0.00 H new ATOM 0 HD2 TYR A 74 14.613 12.728 -4.914 1.00 0.00 H new ATOM 0 HE1 TYR A 74 18.813 11.256 -2.747 1.00 0.00 H new ATOM 0 HE2 TYR A 74 15.877 14.265 -3.350 1.00 0.00 H new ATOM 0 HH TYR A 74 17.593 14.502 -2.079 1.00 0.00 H new ATOM 1134 N ILE A 75 12.664 7.593 -5.624 1.00 0.00 N ATOM 1135 CA ILE A 75 11.670 6.987 -6.493 1.00 0.00 C ATOM 1136 C ILE A 75 10.318 6.965 -5.777 1.00 0.00 C ATOM 1137 O ILE A 75 10.251 6.699 -4.578 1.00 0.00 O ATOM 1138 CB ILE A 75 12.139 5.608 -6.962 1.00 0.00 C ATOM 1139 CG1 ILE A 75 11.572 5.277 -8.344 1.00 0.00 C ATOM 1140 CG2 ILE A 75 11.798 4.532 -5.930 1.00 0.00 C ATOM 1141 CD1 ILE A 75 12.286 4.069 -8.955 1.00 0.00 C ATOM 0 H ILE A 75 12.852 7.076 -4.765 1.00 0.00 H new ATOM 0 HA ILE A 75 11.542 7.581 -7.398 1.00 0.00 H new ATOM 0 HB ILE A 75 13.225 5.631 -7.056 1.00 0.00 H new ATOM 0 HG12 ILE A 75 10.505 5.071 -8.263 1.00 0.00 H new ATOM 0 HG13 ILE A 75 11.681 6.139 -9.002 1.00 0.00 H new ATOM 0 HG21 ILE A 75 12.142 3.562 -6.288 1.00 0.00 H new ATOM 0 HG22 ILE A 75 12.289 4.765 -4.985 1.00 0.00 H new ATOM 0 HG23 ILE A 75 10.719 4.501 -5.780 1.00 0.00 H new ATOM 0 HD11 ILE A 75 11.864 3.855 -9.937 1.00 0.00 H new ATOM 0 HD12 ILE A 75 13.349 4.288 -9.057 1.00 0.00 H new ATOM 0 HD13 ILE A 75 12.154 3.203 -8.307 1.00 0.00 H new ATOM 1153 N ILE A 76 9.274 7.251 -6.543 1.00 0.00 N ATOM 1154 CA ILE A 76 7.928 7.267 -5.997 1.00 0.00 C ATOM 1155 C ILE A 76 7.050 6.297 -6.789 1.00 0.00 C ATOM 1156 O ILE A 76 6.210 5.604 -6.214 1.00 0.00 O ATOM 1157 CB ILE A 76 7.384 8.696 -5.957 1.00 0.00 C ATOM 1158 CG1 ILE A 76 6.834 9.113 -7.323 1.00 0.00 C ATOM 1159 CG2 ILE A 76 8.445 9.673 -5.445 1.00 0.00 C ATOM 1160 CD1 ILE A 76 7.960 9.571 -8.251 1.00 0.00 C ATOM 0 H ILE A 76 9.334 7.473 -7.537 1.00 0.00 H new ATOM 0 HA ILE A 76 7.932 6.923 -4.963 1.00 0.00 H new ATOM 0 HB ILE A 76 6.553 8.724 -5.253 1.00 0.00 H new ATOM 0 HG12 ILE A 76 6.303 8.276 -7.776 1.00 0.00 H new ATOM 0 HG13 ILE A 76 6.111 9.919 -7.197 1.00 0.00 H new ATOM 0 HG21 ILE A 76 8.032 10.682 -5.427 1.00 0.00 H new ATOM 0 HG22 ILE A 76 8.748 9.386 -4.438 1.00 0.00 H new ATOM 0 HG23 ILE A 76 9.312 9.648 -6.105 1.00 0.00 H new ATOM 0 HD11 ILE A 76 7.542 9.862 -9.215 1.00 0.00 H new ATOM 0 HD12 ILE A 76 8.474 10.423 -7.807 1.00 0.00 H new ATOM 0 HD13 ILE A 76 8.668 8.755 -8.394 1.00 0.00 H new ATOM 1172 N GLY A 77 7.272 6.277 -8.094 1.00 0.00 N ATOM 1173 CA GLY A 77 6.511 5.403 -8.970 1.00 0.00 C ATOM 1174 C GLY A 77 6.840 5.676 -10.439 1.00 0.00 C ATOM 1175 O GLY A 77 7.862 6.290 -10.745 1.00 0.00 O ATOM 0 H GLY A 77 7.969 6.853 -8.567 1.00 0.00 H new ATOM 0 HA2 GLY A 77 6.731 4.362 -8.732 1.00 0.00 H new ATOM 0 HA3 GLY A 77 5.445 5.550 -8.799 1.00 0.00 H new ATOM 1179 N GLU A 78 5.958 5.207 -11.308 1.00 0.00 N ATOM 1180 CA GLU A 78 6.142 5.394 -12.737 1.00 0.00 C ATOM 1181 C GLU A 78 4.972 6.184 -13.325 1.00 0.00 C ATOM 1182 O GLU A 78 3.968 6.407 -12.650 1.00 0.00 O ATOM 1183 CB GLU A 78 6.308 4.049 -13.448 1.00 0.00 C ATOM 1184 CG GLU A 78 4.948 3.418 -13.753 1.00 0.00 C ATOM 1185 CD GLU A 78 5.112 2.092 -14.498 1.00 0.00 C ATOM 1186 OE1 GLU A 78 5.661 1.156 -13.876 1.00 0.00 O ATOM 1187 OE2 GLU A 78 4.686 2.044 -15.672 1.00 0.00 O ATOM 0 H GLU A 78 5.113 4.697 -11.050 1.00 0.00 H new ATOM 0 HA GLU A 78 7.056 5.967 -12.894 1.00 0.00 H new ATOM 0 HB2 GLU A 78 6.864 4.190 -14.375 1.00 0.00 H new ATOM 0 HB3 GLU A 78 6.894 3.374 -12.825 1.00 0.00 H new ATOM 0 HG2 GLU A 78 4.404 3.252 -12.823 1.00 0.00 H new ATOM 0 HG3 GLU A 78 4.351 4.105 -14.353 1.00 0.00 H new ATOM 1194 N LEU A 79 5.140 6.586 -14.576 1.00 0.00 N ATOM 1195 CA LEU A 79 4.110 7.347 -15.262 1.00 0.00 C ATOM 1196 C LEU A 79 3.292 6.406 -16.148 1.00 0.00 C ATOM 1197 O LEU A 79 3.832 5.461 -16.721 1.00 0.00 O ATOM 1198 CB LEU A 79 4.728 8.524 -16.021 1.00 0.00 C ATOM 1199 CG LEU A 79 5.319 8.199 -17.395 1.00 0.00 C ATOM 1200 CD1 LEU A 79 6.371 7.092 -17.292 1.00 0.00 C ATOM 1201 CD2 LEU A 79 4.217 7.851 -18.397 1.00 0.00 C ATOM 0 H LEU A 79 5.974 6.399 -15.132 1.00 0.00 H new ATOM 0 HA LEU A 79 3.420 7.789 -14.543 1.00 0.00 H new ATOM 0 HB2 LEU A 79 3.964 9.290 -16.148 1.00 0.00 H new ATOM 0 HB3 LEU A 79 5.514 8.957 -15.402 1.00 0.00 H new ATOM 0 HG LEU A 79 5.825 9.089 -17.769 1.00 0.00 H new ATOM 0 HD11 LEU A 79 6.775 6.881 -18.282 1.00 0.00 H new ATOM 0 HD12 LEU A 79 7.177 7.416 -16.633 1.00 0.00 H new ATOM 0 HD13 LEU A 79 5.912 6.190 -16.887 1.00 0.00 H new ATOM 0 HD21 LEU A 79 4.664 7.624 -19.365 1.00 0.00 H new ATOM 0 HD22 LEU A 79 3.662 6.983 -18.041 1.00 0.00 H new ATOM 0 HD23 LEU A 79 3.538 8.698 -18.500 1.00 0.00 H new ATOM 1213 N HIS A 80 2.002 6.698 -16.235 1.00 0.00 N ATOM 1214 CA HIS A 80 1.104 5.889 -17.041 1.00 0.00 C ATOM 1215 C HIS A 80 1.815 5.459 -18.326 1.00 0.00 C ATOM 1216 O HIS A 80 2.237 6.301 -19.117 1.00 0.00 O ATOM 1217 CB HIS A 80 -0.205 6.635 -17.309 1.00 0.00 C ATOM 1218 CG HIS A 80 -1.438 5.768 -17.200 1.00 0.00 C ATOM 1219 ND1 HIS A 80 -2.626 6.072 -17.842 1.00 0.00 N ATOM 1220 CD2 HIS A 80 -1.653 4.606 -16.520 1.00 0.00 C ATOM 1221 CE1 HIS A 80 -3.510 5.129 -17.553 1.00 0.00 C ATOM 1222 NE2 HIS A 80 -2.906 4.222 -16.733 1.00 0.00 N ATOM 0 H HIS A 80 1.558 7.484 -15.760 1.00 0.00 H new ATOM 0 HA HIS A 80 0.835 4.984 -16.496 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -0.291 7.462 -16.604 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -0.166 7.070 -18.308 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -0.928 4.086 -15.912 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -4.530 5.086 -17.905 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -3.345 3.386 -16.347 1.00 0.00 H new