USER MOD reduce.3.24.130724 H: found=0, std=0, add=1030, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 1025 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 91 HIS : no HD1:sc= -0.0125 X(o=-0.013,f=-0.17) USER MOD Set 1.2: A 94 LYS NZ :NH3+ -111:sc=-4.71e-05 (180deg=0) USER MOD Set 2.1: A 18 SER OG : rot -87:sc= 0.605 USER MOD Set 2.2: A 83 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 48 GLN : amide:sc= -0.505 X(o=-1.2,f=-0.76) USER MOD Set 3.2: A 50 TYR OH : rot 30:sc= -0.661 USER MOD Set 4.1: A 2 GLN : amide:sc= -0.625 K(o=-1.4,f=-4.4) USER MOD Set 4.2: A 59 LYS NZ :NH3+ -156:sc= -0.734 (180deg=-0.0117) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 139:sc= 1.17 (180deg=0.166) USER MOD Single : A 3 LYS NZ :NH3+ 160:sc= 0.406! (180deg=-0.0114) USER MOD Single : A 10 GLN : amide:sc= -0.0184 X(o=-0.018,f=-0.0015) USER MOD Single : A 11 THR OG1 : rot -38:sc= 0.778 USER MOD Single : A 13 ASN : amide:sc= -0.355 X(o=-0.36,f=-0.85) USER MOD Single : A 21 GLN : amide:sc= 0.147 X(o=0.15,f=-0.023) USER MOD Single : A 27 THR OG1 : rot -102:sc= 0.783 USER MOD Single : A 29 SER OG : rot 107:sc= 1.3 USER MOD Single : A 37 LYS NZ :NH3+ 155:sc= 1.22 (180deg=0.283) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= -0.822 K(o=-0.82,f=-1.4) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 162:sc= -0.0166 (180deg=-0.267) USER MOD Single : A 56 GLN : amide:sc= -0.396 K(o=-0.4,f=-3.1!) USER MOD Single : A 57 SER OG : rot 110:sc= 0.0492 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0.00312 USER MOD Single : A 64 HIS : no HD1:sc= -1.15 X(o=-1.1,f=-1.5) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc= -0.142 K(o=-0.14,f=-1.7!) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 81 MET CE :methyl -165:sc= 0 (180deg=-0.0281) USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 84 SER OG : rot 180:sc= 0.0439 USER MOD Single : A 87 MET CE :methyl 158:sc= -1.58 (180deg=-3.07!) USER MOD Single : A 88 THR OG1 : rot 105:sc= 1.21 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 GLN : amide:sc= -0.386 K(o=-0.39,f=-1.4) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 HIS : no HD1:sc=-0.00458 X(o=-0.0046,f=0) USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 120 GLN : amide:sc= -0.0149 K(o=-0.015,f=-1.3!) USER MOD Single : A 121 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 8.044 0.550 -5.783 1.00 21.34 N ATOM 2 CA MET A 1 7.631 -0.844 -5.895 1.00 24.54 C ATOM 3 C MET A 1 6.493 -0.996 -6.899 1.00 44.41 C ATOM 4 O MET A 1 5.359 -0.603 -6.628 1.00 30.41 O ATOM 5 CB MET A 1 7.197 -1.381 -4.529 1.00 72.25 C ATOM 6 CG MET A 1 6.927 -2.877 -4.522 1.00 64.24 C ATOM 7 SD MET A 1 8.423 -3.851 -4.267 1.00 22.14 S ATOM 8 CE MET A 1 7.746 -5.312 -3.481 1.00 41.44 C ATOM 0 H1 MET A 1 8.225 0.779 -4.785 1.00 21.34 H new ATOM 0 H2 MET A 1 8.912 0.700 -6.336 1.00 21.34 H new ATOM 0 H3 MET A 1 7.290 1.166 -6.148 1.00 21.34 H new ATOM 0 HA MET A 1 8.484 -1.422 -6.250 1.00 24.54 H new ATOM 0 HB2 MET A 1 7.972 -1.157 -3.796 1.00 72.25 H new ATOM 0 HB3 MET A 1 6.296 -0.856 -4.211 1.00 72.25 H new ATOM 0 HG2 MET A 1 6.209 -3.109 -3.736 1.00 64.24 H new ATOM 0 HG3 MET A 1 6.468 -3.164 -5.468 1.00 64.24 H new ATOM 0 HE1 MET A 1 8.551 -6.013 -3.260 1.00 41.44 H new ATOM 0 HE2 MET A 1 7.247 -5.029 -2.554 1.00 41.44 H new ATOM 0 HE3 MET A 1 7.027 -5.785 -4.150 1.00 41.44 H new ATOM 18 N GLN A 2 6.805 -1.566 -8.059 1.00 3.44 N ATOM 19 CA GLN A 2 5.808 -1.767 -9.103 1.00 51.20 C ATOM 20 C GLN A 2 4.578 -2.481 -8.551 1.00 43.43 C ATOM 21 O GLN A 2 4.647 -3.152 -7.522 1.00 34.05 O ATOM 22 CB GLN A 2 6.404 -2.572 -10.259 1.00 22.23 C ATOM 23 CG GLN A 2 6.996 -3.905 -9.830 1.00 33.34 C ATOM 24 CD GLN A 2 8.305 -4.215 -10.528 1.00 41.41 C ATOM 25 OE1 GLN A 2 8.456 -3.970 -11.725 1.00 62.45 O ATOM 26 NE2 GLN A 2 9.261 -4.755 -9.782 1.00 22.13 N ATOM 0 H GLN A 2 7.740 -1.896 -8.299 1.00 3.44 H new ATOM 0 HA GLN A 2 5.502 -0.788 -9.472 1.00 51.20 H new ATOM 0 HB2 GLN A 2 5.629 -2.751 -11.004 1.00 22.23 H new ATOM 0 HB3 GLN A 2 7.180 -1.978 -10.743 1.00 22.23 H new ATOM 0 HG2 GLN A 2 7.157 -3.896 -8.752 1.00 33.34 H new ATOM 0 HG3 GLN A 2 6.280 -4.700 -10.039 1.00 33.34 H new ATOM 0 HE21 GLN A 2 9.093 -4.941 -8.793 1.00 22.13 H new ATOM 0 HE22 GLN A 2 10.164 -4.984 -10.197 1.00 22.13 H new ATOM 35 N LYS A 3 3.454 -2.331 -9.243 1.00 34.02 N ATOM 36 CA LYS A 3 2.208 -2.962 -8.824 1.00 14.34 C ATOM 37 C LYS A 3 2.019 -4.308 -9.516 1.00 3.31 C ATOM 38 O LYS A 3 2.001 -5.353 -8.867 1.00 71.04 O ATOM 39 CB LYS A 3 1.020 -2.047 -9.132 1.00 40.01 C ATOM 40 CG LYS A 3 -0.284 -2.512 -8.507 1.00 51.25 C ATOM 41 CD LYS A 3 -1.304 -1.388 -8.445 1.00 54.52 C ATOM 42 CE LYS A 3 -1.272 -0.679 -7.100 1.00 24.14 C ATOM 43 NZ LYS A 3 -0.330 0.475 -7.103 1.00 20.51 N ATOM 0 H LYS A 3 3.380 -1.778 -10.097 1.00 34.02 H new ATOM 0 HA LYS A 3 2.260 -3.131 -7.748 1.00 14.34 H new ATOM 0 HB2 LYS A 3 1.245 -1.041 -8.777 1.00 40.01 H new ATOM 0 HB3 LYS A 3 0.893 -1.982 -10.213 1.00 40.01 H new ATOM 0 HG2 LYS A 3 -0.690 -3.342 -9.085 1.00 51.25 H new ATOM 0 HG3 LYS A 3 -0.093 -2.887 -7.502 1.00 51.25 H new ATOM 0 HD2 LYS A 3 -1.104 -0.670 -9.241 1.00 54.52 H new ATOM 0 HD3 LYS A 3 -2.301 -1.790 -8.622 1.00 54.52 H new ATOM 0 HE2 LYS A 3 -2.274 -0.329 -6.850 1.00 24.14 H new ATOM 0 HE3 LYS A 3 -0.978 -1.386 -6.324 1.00 24.14 H new ATOM 0 HZ1 LYS A 3 -0.571 1.122 -6.326 1.00 20.51 H new ATOM 0 HZ2 LYS A 3 0.643 0.129 -6.976 1.00 20.51 H new ATOM 0 HZ3 LYS A 3 -0.403 0.980 -8.009 1.00 20.51 H new ATOM 57 N GLY A 4 1.881 -4.274 -10.838 1.00 30.20 N ATOM 58 CA GLY A 4 1.697 -5.498 -11.596 1.00 25.11 C ATOM 59 C GLY A 4 0.250 -5.731 -11.980 1.00 14.14 C ATOM 60 O GLY A 4 -0.146 -6.856 -12.286 1.00 71.33 O ATOM 0 H GLY A 4 1.893 -3.421 -11.397 1.00 30.20 H new ATOM 0 HA2 GLY A 4 2.307 -5.458 -12.498 1.00 25.11 H new ATOM 0 HA3 GLY A 4 2.054 -6.343 -11.007 1.00 25.11 H new ATOM 64 N LEU A 5 -0.544 -4.666 -11.961 1.00 40.25 N ATOM 65 CA LEU A 5 -1.958 -4.759 -12.309 1.00 22.12 C ATOM 66 C LEU A 5 -2.498 -3.406 -12.761 1.00 21.11 C ATOM 67 O LEU A 5 -2.048 -2.360 -12.294 1.00 31.54 O ATOM 68 CB LEU A 5 -2.764 -5.269 -11.113 1.00 73.33 C ATOM 69 CG LEU A 5 -3.923 -6.213 -11.439 1.00 2.33 C ATOM 70 CD1 LEU A 5 -5.080 -5.444 -12.058 1.00 3.34 C ATOM 71 CD2 LEU A 5 -3.460 -7.324 -12.369 1.00 72.24 C ATOM 0 H LEU A 5 -0.233 -3.728 -11.708 1.00 40.25 H new ATOM 0 HA LEU A 5 -2.059 -5.463 -13.135 1.00 22.12 H new ATOM 0 HB2 LEU A 5 -2.083 -5.782 -10.434 1.00 73.33 H new ATOM 0 HB3 LEU A 5 -3.162 -4.409 -10.575 1.00 73.33 H new ATOM 0 HG LEU A 5 -4.270 -6.665 -10.510 1.00 2.33 H new ATOM 0 HD11 LEU A 5 -5.895 -6.132 -12.283 1.00 3.34 H new ATOM 0 HD12 LEU A 5 -5.429 -4.685 -11.358 1.00 3.34 H new ATOM 0 HD13 LEU A 5 -4.747 -4.963 -12.978 1.00 3.34 H new ATOM 0 HD21 LEU A 5 -4.297 -7.986 -12.590 1.00 72.24 H new ATOM 0 HD22 LEU A 5 -3.086 -6.890 -13.296 1.00 72.24 H new ATOM 0 HD23 LEU A 5 -2.665 -7.893 -11.888 1.00 72.24 H new ATOM 83 N GLU A 6 -3.466 -3.435 -13.671 1.00 72.42 N ATOM 84 CA GLU A 6 -4.068 -2.211 -14.185 1.00 12.52 C ATOM 85 C GLU A 6 -5.369 -1.895 -13.452 1.00 1.22 C ATOM 86 O GLU A 6 -6.232 -2.759 -13.298 1.00 33.21 O ATOM 87 CB GLU A 6 -4.334 -2.337 -15.686 1.00 61.23 C ATOM 88 CG GLU A 6 -3.495 -3.407 -16.365 1.00 2.22 C ATOM 89 CD GLU A 6 -4.167 -4.766 -16.360 1.00 21.13 C ATOM 90 OE1 GLU A 6 -4.885 -5.068 -15.384 1.00 30.34 O ATOM 91 OE2 GLU A 6 -3.975 -5.527 -17.331 1.00 22.34 O ATOM 0 H GLU A 6 -3.850 -4.293 -14.067 1.00 72.42 H new ATOM 0 HA GLU A 6 -3.367 -1.394 -14.015 1.00 12.52 H new ATOM 0 HB2 GLU A 6 -5.389 -2.561 -15.842 1.00 61.23 H new ATOM 0 HB3 GLU A 6 -4.138 -1.377 -16.163 1.00 61.23 H new ATOM 0 HG2 GLU A 6 -3.296 -3.108 -17.394 1.00 2.22 H new ATOM 0 HG3 GLU A 6 -2.531 -3.481 -15.862 1.00 2.22 H new ATOM 98 N ILE A 7 -5.501 -0.652 -13.002 1.00 3.42 N ATOM 99 CA ILE A 7 -6.695 -0.221 -12.286 1.00 32.52 C ATOM 100 C ILE A 7 -7.074 1.208 -12.658 1.00 34.10 C ATOM 101 O ILE A 7 -6.208 2.050 -12.891 1.00 60.01 O ATOM 102 CB ILE A 7 -6.499 -0.308 -10.761 1.00 32.13 C ATOM 103 CG1 ILE A 7 -5.096 0.167 -10.377 1.00 72.21 C ATOM 104 CG2 ILE A 7 -6.733 -1.731 -10.277 1.00 34.25 C ATOM 105 CD1 ILE A 7 -4.065 -0.940 -10.369 1.00 41.21 C ATOM 0 H ILE A 7 -4.795 0.075 -13.121 1.00 3.42 H new ATOM 0 HA ILE A 7 -7.499 -0.895 -12.580 1.00 32.52 H new ATOM 0 HB ILE A 7 -7.228 0.344 -10.278 1.00 32.13 H new ATOM 0 HG12 ILE A 7 -4.780 0.942 -11.075 1.00 72.21 H new ATOM 0 HG13 ILE A 7 -5.134 0.625 -9.388 1.00 72.21 H new ATOM 0 HG21 ILE A 7 -6.591 -1.776 -9.197 1.00 34.25 H new ATOM 0 HG22 ILE A 7 -7.750 -2.036 -10.522 1.00 34.25 H new ATOM 0 HG23 ILE A 7 -6.026 -2.402 -10.764 1.00 34.25 H new ATOM 0 HD11 ILE A 7 -3.094 -0.531 -10.088 1.00 41.21 H new ATOM 0 HD12 ILE A 7 -4.358 -1.705 -9.650 1.00 41.21 H new ATOM 0 HD13 ILE A 7 -3.999 -1.383 -11.363 1.00 41.21 H new ATOM 117 N ALA A 8 -8.375 1.475 -12.710 1.00 33.41 N ATOM 118 CA ALA A 8 -8.870 2.803 -13.050 1.00 2.13 C ATOM 119 C ALA A 8 -9.907 3.278 -12.038 1.00 52.00 C ATOM 120 O ALA A 8 -10.671 2.479 -11.496 1.00 13.33 O ATOM 121 CB ALA A 8 -9.459 2.804 -14.453 1.00 3.24 C ATOM 0 H ALA A 8 -9.105 0.789 -12.521 1.00 33.41 H new ATOM 0 HA ALA A 8 -8.029 3.496 -13.021 1.00 2.13 H new ATOM 0 HB1 ALA A 8 -9.825 3.802 -14.693 1.00 3.24 H new ATOM 0 HB2 ALA A 8 -8.690 2.517 -15.170 1.00 3.24 H new ATOM 0 HB3 ALA A 8 -10.284 2.094 -14.502 1.00 3.24 H new ATOM 127 N PHE A 9 -9.928 4.583 -11.788 1.00 35.04 N ATOM 128 CA PHE A 9 -10.871 5.164 -10.839 1.00 55.12 C ATOM 129 C PHE A 9 -11.766 6.194 -11.523 1.00 43.12 C ATOM 130 O PHE A 9 -11.286 7.206 -12.033 1.00 63.13 O ATOM 131 CB PHE A 9 -10.121 5.816 -9.676 1.00 31.01 C ATOM 132 CG PHE A 9 -11.024 6.485 -8.680 1.00 13.51 C ATOM 133 CD1 PHE A 9 -11.866 5.735 -7.874 1.00 43.51 C ATOM 134 CD2 PHE A 9 -11.032 7.865 -8.550 1.00 34.10 C ATOM 135 CE1 PHE A 9 -12.698 6.348 -6.956 1.00 41.33 C ATOM 136 CE2 PHE A 9 -11.862 8.483 -7.634 1.00 0.33 C ATOM 137 CZ PHE A 9 -12.697 7.724 -6.837 1.00 4.22 C ATOM 0 H PHE A 9 -9.303 5.258 -12.229 1.00 35.04 H new ATOM 0 HA PHE A 9 -11.499 4.362 -10.452 1.00 55.12 H new ATOM 0 HB2 PHE A 9 -9.529 5.057 -9.165 1.00 31.01 H new ATOM 0 HB3 PHE A 9 -9.422 6.552 -10.072 1.00 31.01 H new ATOM 0 HD1 PHE A 9 -11.872 4.659 -7.964 1.00 43.51 H new ATOM 0 HD2 PHE A 9 -10.383 8.464 -9.171 1.00 34.10 H new ATOM 0 HE1 PHE A 9 -13.348 5.752 -6.333 1.00 41.33 H new ATOM 0 HE2 PHE A 9 -11.858 9.559 -7.541 1.00 0.33 H new ATOM 0 HZ PHE A 9 -13.348 8.206 -6.122 1.00 4.22 H new ATOM 147 N GLN A 10 -13.068 5.927 -11.529 1.00 43.34 N ATOM 148 CA GLN A 10 -14.029 6.830 -12.152 1.00 30.13 C ATOM 149 C GLN A 10 -14.610 7.798 -11.126 1.00 71.50 C ATOM 150 O GLN A 10 -14.974 7.401 -10.018 1.00 72.04 O ATOM 151 CB GLN A 10 -15.155 6.033 -12.813 1.00 65.14 C ATOM 152 CG GLN A 10 -15.858 5.074 -11.867 1.00 73.43 C ATOM 153 CD GLN A 10 -17.292 5.478 -11.586 1.00 1.23 C ATOM 154 OE1 GLN A 10 -18.140 5.466 -12.479 1.00 25.53 O ATOM 155 NE2 GLN A 10 -17.571 5.840 -10.339 1.00 11.21 N ATOM 0 H GLN A 10 -13.481 5.094 -11.110 1.00 43.34 H new ATOM 0 HA GLN A 10 -13.506 7.407 -12.914 1.00 30.13 H new ATOM 0 HB2 GLN A 10 -15.888 6.728 -13.224 1.00 65.14 H new ATOM 0 HB3 GLN A 10 -14.746 5.469 -13.651 1.00 65.14 H new ATOM 0 HG2 GLN A 10 -15.844 4.072 -12.295 1.00 73.43 H new ATOM 0 HG3 GLN A 10 -15.307 5.027 -10.928 1.00 73.43 H new ATOM 0 HE21 GLN A 10 -16.837 5.835 -9.630 1.00 11.21 H new ATOM 0 HE22 GLN A 10 -18.519 6.123 -10.090 1.00 11.21 H new ATOM 164 N THR A 11 -14.694 9.070 -11.501 1.00 52.24 N ATOM 165 CA THR A 11 -15.229 10.095 -10.614 1.00 74.01 C ATOM 166 C THR A 11 -16.430 10.793 -11.242 1.00 14.12 C ATOM 167 O THR A 11 -16.299 11.491 -12.248 1.00 24.12 O ATOM 168 CB THR A 11 -14.162 11.149 -10.265 1.00 1.10 C ATOM 169 OG1 THR A 11 -14.317 12.300 -11.103 1.00 62.54 O ATOM 170 CG2 THR A 11 -12.762 10.578 -10.433 1.00 31.23 C ATOM 0 H THR A 11 -14.398 9.415 -12.414 1.00 52.24 H new ATOM 0 HA THR A 11 -15.542 9.590 -9.700 1.00 74.01 H new ATOM 0 HB THR A 11 -14.297 11.438 -9.223 1.00 1.10 H new ATOM 0 HG1 THR A 11 -14.562 12.015 -12.008 1.00 62.54 H new ATOM 0 HG21 THR A 11 -12.025 11.341 -10.181 1.00 31.23 H new ATOM 0 HG22 THR A 11 -12.637 9.720 -9.772 1.00 31.23 H new ATOM 0 HG23 THR A 11 -12.619 10.263 -11.467 1.00 31.23 H new ATOM 178 N ILE A 12 -17.600 10.601 -10.642 1.00 14.31 N ATOM 179 CA ILE A 12 -18.824 11.215 -11.142 1.00 74.21 C ATOM 180 C ILE A 12 -19.493 12.064 -10.066 1.00 40.04 C ATOM 181 O ILE A 12 -20.451 12.786 -10.338 1.00 73.00 O ATOM 182 CB ILE A 12 -19.824 10.153 -11.638 1.00 13.45 C ATOM 183 CG1 ILE A 12 -19.730 8.891 -10.778 1.00 4.33 C ATOM 184 CG2 ILE A 12 -19.567 9.825 -13.100 1.00 65.25 C ATOM 185 CD1 ILE A 12 -20.019 9.135 -9.313 1.00 71.21 C ATOM 0 H ILE A 12 -17.726 10.025 -9.809 1.00 14.31 H new ATOM 0 HA ILE A 12 -18.538 11.853 -11.979 1.00 74.21 H new ATOM 0 HB ILE A 12 -20.833 10.556 -11.549 1.00 13.45 H new ATOM 0 HG12 ILE A 12 -20.431 8.148 -11.159 1.00 4.33 H new ATOM 0 HG13 ILE A 12 -18.731 8.467 -10.877 1.00 4.33 H new ATOM 0 HG21 ILE A 12 -20.282 9.073 -13.435 1.00 65.25 H new ATOM 0 HG22 ILE A 12 -19.681 10.727 -13.701 1.00 65.25 H new ATOM 0 HG23 ILE A 12 -18.554 9.439 -13.214 1.00 65.25 H new ATOM 0 HD11 ILE A 12 -19.934 8.197 -8.764 1.00 71.21 H new ATOM 0 HD12 ILE A 12 -19.303 9.854 -8.916 1.00 71.21 H new ATOM 0 HD13 ILE A 12 -21.029 9.530 -9.202 1.00 71.21 H new ATOM 197 N ASN A 13 -18.979 11.973 -8.844 1.00 50.21 N ATOM 198 CA ASN A 13 -19.526 12.734 -7.727 1.00 5.53 C ATOM 199 C ASN A 13 -18.812 14.075 -7.581 1.00 55.45 C ATOM 200 O ASN A 13 -17.995 14.450 -8.421 1.00 54.14 O ATOM 201 CB ASN A 13 -19.401 11.935 -6.428 1.00 70.22 C ATOM 202 CG ASN A 13 -17.961 11.599 -6.092 1.00 21.01 C ATOM 203 OD1 ASN A 13 -17.395 10.641 -6.620 1.00 55.52 O ATOM 204 ND2 ASN A 13 -17.360 12.388 -5.208 1.00 74.24 N ATOM 0 H ASN A 13 -18.185 11.380 -8.602 1.00 50.21 H new ATOM 0 HA ASN A 13 -20.580 12.923 -7.931 1.00 5.53 H new ATOM 0 HB2 ASN A 13 -19.838 12.507 -5.609 1.00 70.22 H new ATOM 0 HB3 ASN A 13 -19.976 11.013 -6.515 1.00 70.22 H new ATOM 0 HD21 ASN A 13 -16.391 12.211 -4.942 1.00 74.24 H new ATOM 0 HD22 ASN A 13 -17.867 13.171 -4.795 1.00 74.24 H new ATOM 211 N GLY A 14 -19.128 14.794 -6.508 1.00 41.33 N ATOM 212 CA GLY A 14 -18.508 16.085 -6.272 1.00 15.31 C ATOM 213 C GLY A 14 -17.399 16.016 -5.241 1.00 71.02 C ATOM 214 O GLY A 14 -17.297 15.043 -4.493 1.00 4.13 O ATOM 0 H GLY A 14 -19.802 14.506 -5.798 1.00 41.33 H new ATOM 0 HA2 GLY A 14 -18.105 16.468 -7.210 1.00 15.31 H new ATOM 0 HA3 GLY A 14 -19.266 16.793 -5.938 1.00 15.31 H new ATOM 218 N LEU A 15 -16.565 17.049 -5.202 1.00 41.01 N ATOM 219 CA LEU A 15 -15.455 17.101 -4.256 1.00 55.23 C ATOM 220 C LEU A 15 -14.617 15.829 -4.329 1.00 74.13 C ATOM 221 O LEU A 15 -14.022 15.408 -3.337 1.00 40.12 O ATOM 222 CB LEU A 15 -15.981 17.298 -2.833 1.00 55.24 C ATOM 223 CG LEU A 15 -17.101 18.326 -2.668 1.00 53.21 C ATOM 224 CD1 LEU A 15 -17.811 18.133 -1.337 1.00 70.10 C ATOM 225 CD2 LEU A 15 -16.548 19.740 -2.780 1.00 34.45 C ATOM 0 H LEU A 15 -16.636 17.862 -5.814 1.00 41.01 H new ATOM 0 HA LEU A 15 -14.822 17.947 -4.523 1.00 55.23 H new ATOM 0 HB2 LEU A 15 -16.339 16.337 -2.463 1.00 55.24 H new ATOM 0 HB3 LEU A 15 -15.147 17.594 -2.196 1.00 55.24 H new ATOM 0 HG LEU A 15 -17.826 18.177 -3.468 1.00 53.21 H new ATOM 0 HD11 LEU A 15 -18.605 18.873 -1.237 1.00 70.10 H new ATOM 0 HD12 LEU A 15 -18.241 17.132 -1.296 1.00 70.10 H new ATOM 0 HD13 LEU A 15 -17.097 18.255 -0.523 1.00 70.10 H new ATOM 0 HD21 LEU A 15 -17.359 20.458 -2.660 1.00 34.45 H new ATOM 0 HD22 LEU A 15 -15.802 19.902 -2.002 1.00 34.45 H new ATOM 0 HD23 LEU A 15 -16.086 19.874 -3.758 1.00 34.45 H new ATOM 237 N ASP A 16 -14.574 15.222 -5.510 1.00 51.23 N ATOM 238 CA ASP A 16 -13.806 13.999 -5.714 1.00 40.50 C ATOM 239 C ASP A 16 -12.345 14.319 -6.013 1.00 4.22 C ATOM 240 O ASP A 16 -11.466 13.476 -5.834 1.00 74.05 O ATOM 241 CB ASP A 16 -14.406 13.180 -6.858 1.00 23.34 C ATOM 242 CG ASP A 16 -14.735 14.030 -8.069 1.00 22.01 C ATOM 243 OD1 ASP A 16 -14.146 15.122 -8.204 1.00 44.51 O ATOM 244 OD2 ASP A 16 -15.582 13.603 -8.881 1.00 52.32 O ATOM 0 H ASP A 16 -15.062 15.557 -6.341 1.00 51.23 H new ATOM 0 HA ASP A 16 -13.851 13.413 -4.796 1.00 40.50 H new ATOM 0 HB2 ASP A 16 -13.705 12.397 -7.147 1.00 23.34 H new ATOM 0 HB3 ASP A 16 -15.312 12.684 -6.509 1.00 23.34 H new ATOM 249 N GLU A 17 -12.093 15.542 -6.469 1.00 41.21 N ATOM 250 CA GLU A 17 -10.738 15.972 -6.794 1.00 62.43 C ATOM 251 C GLU A 17 -9.780 15.666 -5.646 1.00 50.13 C ATOM 252 O GLU A 17 -8.602 15.385 -5.865 1.00 22.20 O ATOM 253 CB GLU A 17 -10.715 17.469 -7.107 1.00 41.24 C ATOM 254 CG GLU A 17 -11.091 17.797 -8.543 1.00 23.23 C ATOM 255 CD GLU A 17 -11.621 19.209 -8.699 1.00 70.32 C ATOM 256 OE1 GLU A 17 -12.233 19.723 -7.740 1.00 73.11 O ATOM 257 OE2 GLU A 17 -11.423 19.800 -9.782 1.00 31.54 O ATOM 0 H GLU A 17 -12.809 16.252 -6.622 1.00 41.21 H new ATOM 0 HA GLU A 17 -10.411 15.419 -7.675 1.00 62.43 H new ATOM 0 HB2 GLU A 17 -11.402 17.983 -6.434 1.00 41.24 H new ATOM 0 HB3 GLU A 17 -9.718 17.859 -6.903 1.00 41.24 H new ATOM 0 HG2 GLU A 17 -10.217 17.668 -9.182 1.00 23.23 H new ATOM 0 HG3 GLU A 17 -11.845 17.090 -8.888 1.00 23.23 H new ATOM 264 N SER A 18 -10.295 15.724 -4.422 1.00 51.33 N ATOM 265 CA SER A 18 -9.486 15.458 -3.239 1.00 5.41 C ATOM 266 C SER A 18 -8.867 14.065 -3.306 1.00 1.43 C ATOM 267 O SER A 18 -7.677 13.888 -3.041 1.00 11.21 O ATOM 268 CB SER A 18 -10.335 15.591 -1.974 1.00 10.55 C ATOM 269 OG SER A 18 -11.590 14.954 -2.133 1.00 34.34 O ATOM 0 H SER A 18 -11.269 15.953 -4.224 1.00 51.33 H new ATOM 0 HA SER A 18 -8.682 16.193 -3.207 1.00 5.41 H new ATOM 0 HB2 SER A 18 -9.805 15.152 -1.129 1.00 10.55 H new ATOM 0 HB3 SER A 18 -10.486 16.645 -1.743 1.00 10.55 H new ATOM 0 HG SER A 18 -12.225 15.579 -2.541 1.00 34.34 H new ATOM 275 N LEU A 19 -9.683 13.079 -3.661 1.00 41.22 N ATOM 276 CA LEU A 19 -9.217 11.700 -3.763 1.00 55.45 C ATOM 277 C LEU A 19 -8.343 11.511 -4.999 1.00 4.15 C ATOM 278 O LEU A 19 -7.296 10.866 -4.938 1.00 22.01 O ATOM 279 CB LEU A 19 -10.409 10.742 -3.816 1.00 65.04 C ATOM 280 CG LEU A 19 -10.178 9.352 -3.224 1.00 30.55 C ATOM 281 CD1 LEU A 19 -11.293 8.404 -3.636 1.00 74.31 C ATOM 282 CD2 LEU A 19 -8.825 8.805 -3.655 1.00 3.40 C ATOM 0 H LEU A 19 -10.670 13.208 -3.883 1.00 41.22 H new ATOM 0 HA LEU A 19 -8.618 11.478 -2.880 1.00 55.45 H new ATOM 0 HB2 LEU A 19 -11.245 11.204 -3.291 1.00 65.04 H new ATOM 0 HB3 LEU A 19 -10.711 10.626 -4.857 1.00 65.04 H new ATOM 0 HG LEU A 19 -10.183 9.437 -2.137 1.00 30.55 H new ATOM 0 HD11 LEU A 19 -11.111 7.419 -3.205 1.00 74.31 H new ATOM 0 HD12 LEU A 19 -12.248 8.787 -3.276 1.00 74.31 H new ATOM 0 HD13 LEU A 19 -11.320 8.325 -4.723 1.00 74.31 H new ATOM 0 HD21 LEU A 19 -8.679 7.815 -3.224 1.00 3.40 H new ATOM 0 HD22 LEU A 19 -8.790 8.736 -4.742 1.00 3.40 H new ATOM 0 HD23 LEU A 19 -8.036 9.472 -3.308 1.00 3.40 H new ATOM 294 N VAL A 20 -8.778 12.080 -6.118 1.00 63.15 N ATOM 295 CA VAL A 20 -8.033 11.977 -7.368 1.00 23.24 C ATOM 296 C VAL A 20 -6.614 12.510 -7.207 1.00 4.13 C ATOM 297 O VAL A 20 -5.645 11.845 -7.574 1.00 55.45 O ATOM 298 CB VAL A 20 -8.733 12.746 -8.504 1.00 3.14 C ATOM 299 CG1 VAL A 20 -8.051 12.470 -9.835 1.00 3.21 C ATOM 300 CG2 VAL A 20 -10.208 12.379 -8.565 1.00 2.42 C ATOM 0 H VAL A 20 -9.642 12.617 -6.185 1.00 63.15 H new ATOM 0 HA VAL A 20 -7.994 10.919 -7.627 1.00 23.24 H new ATOM 0 HB VAL A 20 -8.656 13.814 -8.298 1.00 3.14 H new ATOM 0 HG11 VAL A 20 -8.559 13.022 -10.626 1.00 3.21 H new ATOM 0 HG12 VAL A 20 -7.010 12.787 -9.783 1.00 3.21 H new ATOM 0 HG13 VAL A 20 -8.095 11.403 -10.052 1.00 3.21 H new ATOM 0 HG21 VAL A 20 -10.687 12.931 -9.373 1.00 2.42 H new ATOM 0 HG22 VAL A 20 -10.310 11.309 -8.747 1.00 2.42 H new ATOM 0 HG23 VAL A 20 -10.686 12.633 -7.619 1.00 2.42 H new ATOM 310 N GLN A 21 -6.499 13.714 -6.654 1.00 64.54 N ATOM 311 CA GLN A 21 -5.197 14.336 -6.445 1.00 1.21 C ATOM 312 C GLN A 21 -4.416 13.611 -5.354 1.00 1.32 C ATOM 313 O GLN A 21 -3.239 13.294 -5.526 1.00 35.23 O ATOM 314 CB GLN A 21 -5.367 15.810 -6.073 1.00 41.23 C ATOM 315 CG GLN A 21 -6.115 16.619 -7.121 1.00 4.43 C ATOM 316 CD GLN A 21 -6.627 17.940 -6.581 1.00 51.34 C ATOM 317 OE1 GLN A 21 -6.266 19.008 -7.077 1.00 54.31 O ATOM 318 NE2 GLN A 21 -7.473 17.875 -5.560 1.00 75.23 N ATOM 0 H GLN A 21 -7.291 14.277 -6.343 1.00 64.54 H new ATOM 0 HA GLN A 21 -4.635 14.266 -7.376 1.00 1.21 H new ATOM 0 HB2 GLN A 21 -5.900 15.878 -5.125 1.00 41.23 H new ATOM 0 HB3 GLN A 21 -4.383 16.253 -5.918 1.00 41.23 H new ATOM 0 HG2 GLN A 21 -5.455 16.808 -7.968 1.00 4.43 H new ATOM 0 HG3 GLN A 21 -6.955 16.034 -7.495 1.00 4.43 H new ATOM 0 HE21 GLN A 21 -7.745 16.968 -5.180 1.00 75.23 H new ATOM 0 HE22 GLN A 21 -7.851 18.732 -5.155 1.00 75.23 H new ATOM 327 N ALA A 22 -5.079 13.353 -4.231 1.00 65.21 N ATOM 328 CA ALA A 22 -4.447 12.664 -3.113 1.00 22.14 C ATOM 329 C ALA A 22 -3.887 11.313 -3.545 1.00 44.34 C ATOM 330 O ALA A 22 -2.712 11.017 -3.323 1.00 20.44 O ATOM 331 CB ALA A 22 -5.440 12.485 -1.974 1.00 51.10 C ATOM 0 H ALA A 22 -6.053 13.611 -4.072 1.00 65.21 H new ATOM 0 HA ALA A 22 -3.616 13.277 -2.764 1.00 22.14 H new ATOM 0 HB1 ALA A 22 -4.954 11.969 -1.146 1.00 51.10 H new ATOM 0 HB2 ALA A 22 -5.789 13.462 -1.639 1.00 51.10 H new ATOM 0 HB3 ALA A 22 -6.289 11.896 -2.321 1.00 51.10 H new ATOM 337 N LEU A 23 -4.733 10.498 -4.164 1.00 72.22 N ATOM 338 CA LEU A 23 -4.322 9.177 -4.628 1.00 54.11 C ATOM 339 C LEU A 23 -3.244 9.288 -5.701 1.00 61.10 C ATOM 340 O LEU A 23 -2.347 8.450 -5.782 1.00 63.41 O ATOM 341 CB LEU A 23 -5.527 8.410 -5.177 1.00 1.32 C ATOM 342 CG LEU A 23 -5.859 8.648 -6.650 1.00 73.23 C ATOM 343 CD1 LEU A 23 -5.053 7.712 -7.537 1.00 62.20 C ATOM 344 CD2 LEU A 23 -7.350 8.466 -6.897 1.00 1.33 C ATOM 0 H LEU A 23 -5.708 10.728 -4.357 1.00 72.22 H new ATOM 0 HA LEU A 23 -3.909 8.633 -3.779 1.00 54.11 H new ATOM 0 HB2 LEU A 23 -5.350 7.344 -5.033 1.00 1.32 H new ATOM 0 HB3 LEU A 23 -6.401 8.672 -4.581 1.00 1.32 H new ATOM 0 HG LEU A 23 -5.591 9.674 -6.901 1.00 73.23 H new ATOM 0 HD11 LEU A 23 -5.303 7.896 -8.582 1.00 62.20 H new ATOM 0 HD12 LEU A 23 -3.989 7.890 -7.381 1.00 62.20 H new ATOM 0 HD13 LEU A 23 -5.289 6.678 -7.284 1.00 62.20 H new ATOM 0 HD21 LEU A 23 -7.568 8.639 -7.951 1.00 1.33 H new ATOM 0 HD22 LEU A 23 -7.642 7.451 -6.628 1.00 1.33 H new ATOM 0 HD23 LEU A 23 -7.909 9.177 -6.289 1.00 1.33 H new ATOM 356 N ALA A 24 -3.337 10.329 -6.521 1.00 54.34 N ATOM 357 CA ALA A 24 -2.368 10.552 -7.586 1.00 44.34 C ATOM 358 C ALA A 24 -0.986 10.853 -7.016 1.00 64.13 C ATOM 359 O ALA A 24 -0.002 10.205 -7.372 1.00 32.31 O ATOM 360 CB ALA A 24 -2.827 11.688 -8.489 1.00 63.10 C ATOM 0 H ALA A 24 -4.074 11.032 -6.468 1.00 54.34 H new ATOM 0 HA ALA A 24 -2.298 9.639 -8.177 1.00 44.34 H new ATOM 0 HB1 ALA A 24 -2.093 11.843 -9.280 1.00 63.10 H new ATOM 0 HB2 ALA A 24 -3.790 11.434 -8.932 1.00 63.10 H new ATOM 0 HB3 ALA A 24 -2.927 12.601 -7.903 1.00 63.10 H new ATOM 366 N GLY A 25 -0.918 11.841 -6.130 1.00 12.45 N ATOM 367 CA GLY A 25 0.348 12.211 -5.525 1.00 65.13 C ATOM 368 C GLY A 25 0.937 11.095 -4.685 1.00 44.11 C ATOM 369 O GLY A 25 2.136 10.823 -4.754 1.00 21.14 O ATOM 0 H GLY A 25 -1.718 12.393 -5.820 1.00 12.45 H new ATOM 0 HA2 GLY A 25 1.055 12.484 -6.308 1.00 65.13 H new ATOM 0 HA3 GLY A 25 0.205 13.094 -4.902 1.00 65.13 H new ATOM 373 N VAL A 26 0.093 10.448 -3.888 1.00 63.10 N ATOM 374 CA VAL A 26 0.537 9.356 -3.030 1.00 70.31 C ATOM 375 C VAL A 26 1.113 8.209 -3.854 1.00 13.15 C ATOM 376 O VAL A 26 2.179 7.679 -3.541 1.00 5.11 O ATOM 377 CB VAL A 26 -0.617 8.820 -2.161 1.00 5.50 C ATOM 378 CG1 VAL A 26 -0.178 7.581 -1.396 1.00 10.35 C ATOM 379 CG2 VAL A 26 -1.110 9.899 -1.208 1.00 60.13 C ATOM 0 H VAL A 26 -0.902 10.661 -3.819 1.00 63.10 H new ATOM 0 HA VAL A 26 1.314 9.759 -2.381 1.00 70.31 H new ATOM 0 HB VAL A 26 -1.443 8.540 -2.815 1.00 5.50 H new ATOM 0 HG11 VAL A 26 -1.006 7.217 -0.788 1.00 10.35 H new ATOM 0 HG12 VAL A 26 0.123 6.806 -2.101 1.00 10.35 H new ATOM 0 HG13 VAL A 26 0.664 7.831 -0.750 1.00 10.35 H new ATOM 0 HG21 VAL A 26 -1.925 9.504 -0.602 1.00 60.13 H new ATOM 0 HG22 VAL A 26 -0.293 10.212 -0.558 1.00 60.13 H new ATOM 0 HG23 VAL A 26 -1.466 10.755 -1.781 1.00 60.13 H new ATOM 389 N THR A 27 0.399 7.830 -4.909 1.00 64.54 N ATOM 390 CA THR A 27 0.838 6.745 -5.778 1.00 43.14 C ATOM 391 C THR A 27 2.182 7.066 -6.422 1.00 44.00 C ATOM 392 O THR A 27 3.129 6.286 -6.326 1.00 62.32 O ATOM 393 CB THR A 27 -0.193 6.460 -6.886 1.00 54.21 C ATOM 394 OG1 THR A 27 -0.585 7.684 -7.518 1.00 1.34 O ATOM 395 CG2 THR A 27 -1.420 5.762 -6.317 1.00 44.51 C ATOM 0 H THR A 27 -0.486 8.258 -5.182 1.00 64.54 H new ATOM 0 HA THR A 27 0.940 5.860 -5.150 1.00 43.14 H new ATOM 0 HB THR A 27 0.271 5.804 -7.622 1.00 54.21 H new ATOM 0 HG1 THR A 27 -1.462 7.961 -7.179 1.00 1.34 H new ATOM 0 HG21 THR A 27 -2.134 5.571 -7.118 1.00 44.51 H new ATOM 0 HG22 THR A 27 -1.123 4.817 -5.863 1.00 44.51 H new ATOM 0 HG23 THR A 27 -1.883 6.398 -5.562 1.00 44.51 H new ATOM 403 N ALA A 28 2.259 8.220 -7.077 1.00 70.45 N ATOM 404 CA ALA A 28 3.489 8.645 -7.735 1.00 33.34 C ATOM 405 C ALA A 28 4.649 8.696 -6.747 1.00 25.20 C ATOM 406 O ALA A 28 5.782 8.352 -7.087 1.00 14.22 O ATOM 407 CB ALA A 28 3.293 10.002 -8.393 1.00 2.41 C ATOM 0 H ALA A 28 1.484 8.877 -7.166 1.00 70.45 H new ATOM 0 HA ALA A 28 3.733 7.913 -8.505 1.00 33.34 H new ATOM 0 HB1 ALA A 28 4.219 10.307 -8.880 1.00 2.41 H new ATOM 0 HB2 ALA A 28 2.497 9.935 -9.135 1.00 2.41 H new ATOM 0 HB3 ALA A 28 3.022 10.738 -7.636 1.00 2.41 H new ATOM 413 N SER A 29 4.361 9.127 -5.523 1.00 52.44 N ATOM 414 CA SER A 29 5.382 9.228 -4.487 1.00 62.25 C ATOM 415 C SER A 29 5.749 7.848 -3.951 1.00 65.41 C ATOM 416 O SER A 29 6.899 7.596 -3.589 1.00 70.33 O ATOM 417 CB SER A 29 4.893 10.118 -3.344 1.00 11.33 C ATOM 418 OG SER A 29 5.055 11.490 -3.660 1.00 4.10 O ATOM 0 H SER A 29 3.428 9.412 -5.224 1.00 52.44 H new ATOM 0 HA SER A 29 6.272 9.675 -4.930 1.00 62.25 H new ATOM 0 HB2 SER A 29 3.842 9.910 -3.141 1.00 11.33 H new ATOM 0 HB3 SER A 29 5.446 9.883 -2.434 1.00 11.33 H new ATOM 0 HG SER A 29 4.180 11.887 -3.851 1.00 4.10 H new ATOM 424 N ASP A 30 4.765 6.957 -3.903 1.00 54.40 N ATOM 425 CA ASP A 30 4.983 5.602 -3.412 1.00 74.31 C ATOM 426 C ASP A 30 5.660 4.742 -4.474 1.00 65.41 C ATOM 427 O ASP A 30 6.213 3.684 -4.171 1.00 72.35 O ATOM 428 CB ASP A 30 3.655 4.967 -2.996 1.00 15.42 C ATOM 429 CG ASP A 30 3.826 3.553 -2.476 1.00 51.45 C ATOM 430 OD1 ASP A 30 4.086 3.393 -1.265 1.00 42.24 O ATOM 431 OD2 ASP A 30 3.699 2.607 -3.281 1.00 33.01 O ATOM 0 H ASP A 30 3.808 7.149 -4.198 1.00 54.40 H new ATOM 0 HA ASP A 30 5.638 5.658 -2.543 1.00 74.31 H new ATOM 0 HB2 ASP A 30 3.188 5.580 -2.225 1.00 15.42 H new ATOM 0 HB3 ASP A 30 2.977 4.957 -3.850 1.00 15.42 H new ATOM 436 N PHE A 31 5.614 5.202 -5.720 1.00 15.33 N ATOM 437 CA PHE A 31 6.221 4.474 -6.828 1.00 2.25 C ATOM 438 C PHE A 31 7.395 5.255 -7.413 1.00 33.44 C ATOM 439 O PHE A 31 7.325 5.795 -8.517 1.00 30.32 O ATOM 440 CB PHE A 31 5.182 4.201 -7.917 1.00 22.41 C ATOM 441 CG PHE A 31 4.347 2.979 -7.656 1.00 45.50 C ATOM 442 CD1 PHE A 31 3.697 2.815 -6.444 1.00 24.45 C ATOM 443 CD2 PHE A 31 4.212 1.997 -8.623 1.00 65.23 C ATOM 444 CE1 PHE A 31 2.929 1.692 -6.201 1.00 24.53 C ATOM 445 CE2 PHE A 31 3.445 0.872 -8.386 1.00 64.44 C ATOM 446 CZ PHE A 31 2.802 0.719 -7.174 1.00 2.43 C ATOM 0 H PHE A 31 5.162 6.076 -5.988 1.00 15.33 H new ATOM 0 HA PHE A 31 6.594 3.524 -6.445 1.00 2.25 H new ATOM 0 HB2 PHE A 31 4.526 5.067 -8.008 1.00 22.41 H new ATOM 0 HB3 PHE A 31 5.692 4.086 -8.874 1.00 22.41 H new ATOM 0 HD1 PHE A 31 3.791 3.573 -5.680 1.00 24.45 H new ATOM 0 HD2 PHE A 31 4.712 2.112 -9.573 1.00 65.23 H new ATOM 0 HE1 PHE A 31 2.428 1.575 -5.251 1.00 24.53 H new ATOM 0 HE2 PHE A 31 3.349 0.113 -9.148 1.00 64.44 H new ATOM 0 HZ PHE A 31 2.201 -0.159 -6.987 1.00 2.43 H new ATOM 456 N PRO A 32 8.500 5.317 -6.655 1.00 72.31 N ATOM 457 CA PRO A 32 9.710 6.028 -7.077 1.00 51.32 C ATOM 458 C PRO A 32 10.421 5.329 -8.230 1.00 62.15 C ATOM 459 O PRO A 32 11.268 5.921 -8.901 1.00 33.34 O ATOM 460 CB PRO A 32 10.586 6.015 -5.822 1.00 34.53 C ATOM 461 CG PRO A 32 10.126 4.824 -5.052 1.00 50.53 C ATOM 462 CD PRO A 32 8.653 4.696 -5.328 1.00 44.35 C ATOM 0 HA PRO A 32 9.486 7.029 -7.446 1.00 51.32 H new ATOM 0 HB2 PRO A 32 11.643 5.937 -6.077 1.00 34.53 H new ATOM 0 HB3 PRO A 32 10.464 6.931 -5.244 1.00 34.53 H new ATOM 0 HG2 PRO A 32 10.661 3.927 -5.364 1.00 50.53 H new ATOM 0 HG3 PRO A 32 10.314 4.952 -3.986 1.00 50.53 H new ATOM 0 HD2 PRO A 32 8.334 3.654 -5.333 1.00 44.35 H new ATOM 0 HD3 PRO A 32 8.057 5.208 -4.573 1.00 44.35 H new ATOM 470 N ASP A 33 10.072 4.067 -8.457 1.00 2.34 N ATOM 471 CA ASP A 33 10.676 3.287 -9.531 1.00 5.54 C ATOM 472 C ASP A 33 10.284 3.846 -10.895 1.00 1.22 C ATOM 473 O ASP A 33 10.852 3.467 -11.920 1.00 22.42 O ATOM 474 CB ASP A 33 10.254 1.821 -9.425 1.00 52.43 C ATOM 475 CG ASP A 33 10.802 1.149 -8.182 1.00 71.31 C ATOM 476 OD1 ASP A 33 10.349 1.495 -7.071 1.00 12.21 O ATOM 477 OD2 ASP A 33 11.683 0.275 -8.320 1.00 42.14 O ATOM 0 H ASP A 33 9.374 3.562 -7.911 1.00 2.34 H new ATOM 0 HA ASP A 33 11.759 3.353 -9.430 1.00 5.54 H new ATOM 0 HB2 ASP A 33 9.166 1.759 -9.418 1.00 52.43 H new ATOM 0 HB3 ASP A 33 10.599 1.282 -10.308 1.00 52.43 H new ATOM 482 N LEU A 34 9.309 4.749 -10.901 1.00 23.43 N ATOM 483 CA LEU A 34 8.840 5.359 -12.139 1.00 54.44 C ATOM 484 C LEU A 34 8.156 4.327 -13.030 1.00 40.34 C ATOM 485 O LEU A 34 8.002 4.536 -14.234 1.00 13.42 O ATOM 486 CB LEU A 34 10.008 6.003 -12.889 1.00 14.24 C ATOM 487 CG LEU A 34 11.043 6.724 -12.025 1.00 1.40 C ATOM 488 CD1 LEU A 34 12.076 7.419 -12.899 1.00 0.14 C ATOM 489 CD2 LEU A 34 10.364 7.725 -11.101 1.00 75.23 C ATOM 0 H LEU A 34 8.828 5.074 -10.062 1.00 23.43 H new ATOM 0 HA LEU A 34 8.113 6.129 -11.882 1.00 54.44 H new ATOM 0 HB2 LEU A 34 10.518 5.228 -13.461 1.00 14.24 H new ATOM 0 HB3 LEU A 34 9.604 6.716 -13.608 1.00 14.24 H new ATOM 0 HG LEU A 34 11.555 5.983 -11.411 1.00 1.40 H new ATOM 0 HD11 LEU A 34 12.805 7.927 -12.267 1.00 0.14 H new ATOM 0 HD12 LEU A 34 12.585 6.680 -13.518 1.00 0.14 H new ATOM 0 HD13 LEU A 34 11.580 8.149 -13.539 1.00 0.14 H new ATOM 0 HD21 LEU A 34 11.116 8.228 -10.494 1.00 75.23 H new ATOM 0 HD22 LEU A 34 9.825 8.462 -11.696 1.00 75.23 H new ATOM 0 HD23 LEU A 34 9.663 7.202 -10.450 1.00 75.23 H new ATOM 501 N ASP A 35 7.747 3.215 -12.431 1.00 72.42 N ATOM 502 CA ASP A 35 7.076 2.151 -13.170 1.00 22.33 C ATOM 503 C ASP A 35 5.561 2.288 -13.064 1.00 74.20 C ATOM 504 O ASP A 35 4.824 1.328 -13.290 1.00 74.51 O ATOM 505 CB ASP A 35 7.515 0.782 -12.646 1.00 12.33 C ATOM 506 CG ASP A 35 7.521 0.717 -11.131 1.00 41.21 C ATOM 507 OD1 ASP A 35 6.695 1.412 -10.504 1.00 14.25 O ATOM 508 OD2 ASP A 35 8.352 -0.029 -10.573 1.00 61.43 O ATOM 0 H ASP A 35 7.868 3.026 -11.436 1.00 72.42 H new ATOM 0 HA ASP A 35 7.358 2.237 -14.219 1.00 22.33 H new ATOM 0 HB2 ASP A 35 6.847 0.015 -13.037 1.00 12.33 H new ATOM 0 HB3 ASP A 35 8.513 0.556 -13.021 1.00 12.33 H new ATOM 513 N ILE A 36 5.103 3.486 -12.718 1.00 53.34 N ATOM 514 CA ILE A 36 3.675 3.748 -12.583 1.00 3.21 C ATOM 515 C ILE A 36 3.173 4.652 -13.704 1.00 63.31 C ATOM 516 O ILE A 36 3.618 5.791 -13.845 1.00 11.22 O ATOM 517 CB ILE A 36 3.349 4.402 -11.227 1.00 61.01 C ATOM 518 CG1 ILE A 36 1.910 4.921 -11.220 1.00 32.14 C ATOM 519 CG2 ILE A 36 4.326 5.531 -10.935 1.00 24.44 C ATOM 520 CD1 ILE A 36 1.810 6.428 -11.309 1.00 62.43 C ATOM 0 H ILE A 36 5.700 4.291 -12.526 1.00 53.34 H new ATOM 0 HA ILE A 36 3.170 2.784 -12.644 1.00 3.21 H new ATOM 0 HB ILE A 36 3.448 3.650 -10.444 1.00 61.01 H new ATOM 0 HG12 ILE A 36 1.369 4.479 -12.057 1.00 32.14 H new ATOM 0 HG13 ILE A 36 1.416 4.586 -10.308 1.00 32.14 H new ATOM 0 HG21 ILE A 36 4.083 5.983 -9.974 1.00 24.44 H new ATOM 0 HG22 ILE A 36 5.341 5.135 -10.903 1.00 24.44 H new ATOM 0 HG23 ILE A 36 4.255 6.285 -11.719 1.00 24.44 H new ATOM 0 HD11 ILE A 36 0.761 6.724 -11.299 1.00 62.43 H new ATOM 0 HD12 ILE A 36 2.322 6.878 -10.458 1.00 62.43 H new ATOM 0 HD13 ILE A 36 2.275 6.769 -12.234 1.00 62.43 H new ATOM 532 N LYS A 37 2.242 4.136 -14.500 1.00 4.22 N ATOM 533 CA LYS A 37 1.676 4.896 -15.608 1.00 12.23 C ATOM 534 C LYS A 37 0.240 5.311 -15.305 1.00 35.22 C ATOM 535 O LYS A 37 -0.686 4.507 -15.419 1.00 71.11 O ATOM 536 CB LYS A 37 1.719 4.069 -16.895 1.00 14.52 C ATOM 537 CG LYS A 37 3.043 3.361 -17.119 1.00 44.20 C ATOM 538 CD LYS A 37 4.207 4.338 -17.107 1.00 41.23 C ATOM 539 CE LYS A 37 5.171 4.043 -15.968 1.00 41.04 C ATOM 540 NZ LYS A 37 6.536 3.717 -16.467 1.00 52.14 N ATOM 0 H LYS A 37 1.864 3.194 -14.398 1.00 4.22 H new ATOM 0 HA LYS A 37 2.275 5.797 -15.742 1.00 12.23 H new ATOM 0 HB2 LYS A 37 0.920 3.328 -16.867 1.00 14.52 H new ATOM 0 HB3 LYS A 37 1.518 4.723 -17.744 1.00 14.52 H new ATOM 0 HG2 LYS A 37 3.190 2.609 -16.344 1.00 44.20 H new ATOM 0 HG3 LYS A 37 3.018 2.835 -18.073 1.00 44.20 H new ATOM 0 HD2 LYS A 37 4.738 4.285 -18.057 1.00 41.23 H new ATOM 0 HD3 LYS A 37 3.828 5.356 -17.010 1.00 41.23 H new ATOM 0 HE2 LYS A 37 5.224 4.906 -15.304 1.00 41.04 H new ATOM 0 HE3 LYS A 37 4.791 3.209 -15.378 1.00 41.04 H new ATOM 0 HZ1 LYS A 37 7.236 3.935 -15.730 1.00 52.14 H new ATOM 0 HZ2 LYS A 37 6.586 2.706 -16.705 1.00 52.14 H new ATOM 0 HZ3 LYS A 37 6.740 4.283 -17.316 1.00 52.14 H new ATOM 554 N TYR A 38 0.061 6.569 -14.920 1.00 13.52 N ATOM 555 CA TYR A 38 -1.263 7.090 -14.600 1.00 11.22 C ATOM 556 C TYR A 38 -1.601 8.293 -15.475 1.00 13.42 C ATOM 557 O TYR A 38 -0.714 8.942 -16.028 1.00 31.41 O ATOM 558 CB TYR A 38 -1.337 7.483 -13.123 1.00 64.52 C ATOM 559 CG TYR A 38 -0.670 8.804 -12.814 1.00 23.21 C ATOM 560 CD1 TYR A 38 0.708 8.950 -12.918 1.00 10.44 C ATOM 561 CD2 TYR A 38 -1.418 9.906 -12.419 1.00 2.04 C ATOM 562 CE1 TYR A 38 1.321 10.155 -12.635 1.00 43.51 C ATOM 563 CE2 TYR A 38 -0.813 11.115 -12.136 1.00 11.54 C ATOM 564 CZ TYR A 38 0.557 11.235 -12.245 1.00 13.02 C ATOM 565 OH TYR A 38 1.164 12.438 -11.964 1.00 32.41 O ATOM 0 H TYR A 38 0.816 7.248 -14.822 1.00 13.52 H new ATOM 0 HA TYR A 38 -1.992 6.304 -14.797 1.00 11.22 H new ATOM 0 HB2 TYR A 38 -2.383 7.534 -12.821 1.00 64.52 H new ATOM 0 HB3 TYR A 38 -0.871 6.701 -12.524 1.00 64.52 H new ATOM 0 HD1 TYR A 38 1.310 8.107 -13.225 1.00 10.44 H new ATOM 0 HD2 TYR A 38 -2.491 9.816 -12.332 1.00 2.04 H new ATOM 0 HE1 TYR A 38 2.393 10.251 -12.719 1.00 43.51 H new ATOM 0 HE2 TYR A 38 -1.409 11.962 -11.831 1.00 11.54 H new ATOM 0 HH TYR A 38 0.484 13.095 -11.705 1.00 32.41 H new ATOM 575 N ASN A 39 -2.892 8.586 -15.594 1.00 74.42 N ATOM 576 CA ASN A 39 -3.350 9.711 -16.401 1.00 61.34 C ATOM 577 C ASN A 39 -4.768 10.118 -16.013 1.00 2.24 C ATOM 578 O ASN A 39 -5.638 9.268 -15.822 1.00 13.41 O ATOM 579 CB ASN A 39 -3.300 9.353 -17.888 1.00 62.50 C ATOM 580 CG ASN A 39 -1.939 9.619 -18.501 1.00 65.42 C ATOM 581 OD1 ASN A 39 -1.132 8.704 -18.670 1.00 60.12 O ATOM 582 ND2 ASN A 39 -1.677 10.876 -18.837 1.00 42.34 N ATOM 0 H ASN A 39 -3.640 8.060 -15.142 1.00 74.42 H new ATOM 0 HA ASN A 39 -2.685 10.554 -16.214 1.00 61.34 H new ATOM 0 HB2 ASN A 39 -3.553 8.300 -18.014 1.00 62.50 H new ATOM 0 HB3 ASN A 39 -4.055 9.929 -18.423 1.00 62.50 H new ATOM 0 HD21 ASN A 39 -0.777 11.116 -19.253 1.00 42.34 H new ATOM 0 HD22 ASN A 39 -2.375 11.602 -18.679 1.00 42.34 H new ATOM 589 N ILE A 40 -4.992 11.423 -15.897 1.00 71.25 N ATOM 590 CA ILE A 40 -6.304 11.943 -15.533 1.00 72.34 C ATOM 591 C ILE A 40 -6.923 12.728 -16.684 1.00 50.45 C ATOM 592 O ILE A 40 -6.356 13.716 -17.152 1.00 3.00 O ATOM 593 CB ILE A 40 -6.225 12.850 -14.291 1.00 75.23 C ATOM 594 CG1 ILE A 40 -4.802 12.862 -13.731 1.00 44.44 C ATOM 595 CG2 ILE A 40 -7.213 12.384 -13.232 1.00 0.02 C ATOM 596 CD1 ILE A 40 -4.675 13.603 -12.419 1.00 10.14 C ATOM 0 H ILE A 40 -4.282 12.139 -16.050 1.00 71.25 H new ATOM 0 HA ILE A 40 -6.932 11.082 -15.305 1.00 72.34 H new ATOM 0 HB ILE A 40 -6.488 13.866 -14.584 1.00 75.23 H new ATOM 0 HG12 ILE A 40 -4.466 11.834 -13.592 1.00 44.44 H new ATOM 0 HG13 ILE A 40 -4.136 13.319 -14.463 1.00 44.44 H new ATOM 0 HG21 ILE A 40 -7.146 13.035 -12.360 1.00 0.02 H new ATOM 0 HG22 ILE A 40 -8.225 12.422 -13.636 1.00 0.02 H new ATOM 0 HG23 ILE A 40 -6.978 11.361 -12.940 1.00 0.02 H new ATOM 0 HD11 ILE A 40 -3.639 13.571 -12.082 1.00 10.14 H new ATOM 0 HD12 ILE A 40 -4.980 14.641 -12.556 1.00 10.14 H new ATOM 0 HD13 ILE A 40 -5.315 13.133 -11.672 1.00 10.14 H new ATOM 608 N PHE A 41 -8.091 12.284 -17.136 1.00 51.13 N ATOM 609 CA PHE A 41 -8.789 12.946 -18.233 1.00 5.13 C ATOM 610 C PHE A 41 -10.239 13.238 -17.858 1.00 24.24 C ATOM 611 O PHE A 41 -10.851 12.503 -17.082 1.00 31.23 O ATOM 612 CB PHE A 41 -8.740 12.080 -19.493 1.00 33.31 C ATOM 613 CG PHE A 41 -8.792 10.606 -19.209 1.00 74.34 C ATOM 614 CD1 PHE A 41 -9.925 10.034 -18.653 1.00 30.52 C ATOM 615 CD2 PHE A 41 -7.709 9.792 -19.500 1.00 12.11 C ATOM 616 CE1 PHE A 41 -9.975 8.678 -18.390 1.00 72.42 C ATOM 617 CE2 PHE A 41 -7.754 8.435 -19.240 1.00 3.31 C ATOM 618 CZ PHE A 41 -8.889 7.877 -18.685 1.00 43.32 C ATOM 0 H PHE A 41 -8.575 11.468 -16.760 1.00 51.13 H new ATOM 0 HA PHE A 41 -8.286 13.893 -18.432 1.00 5.13 H new ATOM 0 HB2 PHE A 41 -9.575 12.347 -20.140 1.00 33.31 H new ATOM 0 HB3 PHE A 41 -7.826 12.304 -20.043 1.00 33.31 H new ATOM 0 HD1 PHE A 41 -10.778 10.655 -18.423 1.00 30.52 H new ATOM 0 HD2 PHE A 41 -6.819 10.223 -19.935 1.00 12.11 H new ATOM 0 HE1 PHE A 41 -10.863 8.245 -17.954 1.00 72.42 H new ATOM 0 HE2 PHE A 41 -6.903 7.812 -19.471 1.00 3.31 H new ATOM 0 HZ PHE A 41 -8.927 6.817 -18.482 1.00 43.32 H new ATOM 628 N LEU A 42 -10.782 14.315 -18.413 1.00 44.40 N ATOM 629 CA LEU A 42 -12.160 14.706 -18.137 1.00 42.14 C ATOM 630 C LEU A 42 -13.070 14.354 -19.309 1.00 53.35 C ATOM 631 O LEU A 42 -12.855 14.806 -20.434 1.00 41.22 O ATOM 632 CB LEU A 42 -12.237 16.206 -17.849 1.00 54.40 C ATOM 633 CG LEU A 42 -13.578 16.878 -18.146 1.00 14.41 C ATOM 634 CD1 LEU A 42 -14.700 16.195 -17.379 1.00 25.41 C ATOM 635 CD2 LEU A 42 -13.520 18.360 -17.802 1.00 34.43 C ATOM 0 H LEU A 42 -10.289 14.934 -19.057 1.00 44.40 H new ATOM 0 HA LEU A 42 -12.499 14.156 -17.259 1.00 42.14 H new ATOM 0 HB2 LEU A 42 -11.998 16.367 -16.798 1.00 54.40 H new ATOM 0 HB3 LEU A 42 -11.465 16.708 -18.432 1.00 54.40 H new ATOM 0 HG LEU A 42 -13.783 16.780 -19.212 1.00 14.41 H new ATOM 0 HD11 LEU A 42 -15.646 16.687 -17.603 1.00 25.41 H new ATOM 0 HD12 LEU A 42 -14.757 15.147 -17.674 1.00 25.41 H new ATOM 0 HD13 LEU A 42 -14.502 16.260 -16.309 1.00 25.41 H new ATOM 0 HD21 LEU A 42 -14.483 18.822 -18.020 1.00 34.43 H new ATOM 0 HD22 LEU A 42 -13.292 18.479 -16.743 1.00 34.43 H new ATOM 0 HD23 LEU A 42 -12.744 18.841 -18.397 1.00 34.43 H new ATOM 647 N VAL A 43 -14.090 13.546 -19.038 1.00 52.11 N ATOM 648 CA VAL A 43 -15.036 13.136 -20.069 1.00 51.11 C ATOM 649 C VAL A 43 -16.334 13.930 -19.971 1.00 71.21 C ATOM 650 O VAL A 43 -16.875 14.123 -18.882 1.00 71.41 O ATOM 651 CB VAL A 43 -15.358 11.633 -19.970 1.00 44.02 C ATOM 652 CG1 VAL A 43 -14.178 10.872 -19.385 1.00 62.22 C ATOM 653 CG2 VAL A 43 -16.612 11.410 -19.138 1.00 44.53 C ATOM 0 H VAL A 43 -14.282 13.162 -18.113 1.00 52.11 H new ATOM 0 HA VAL A 43 -14.563 13.336 -21.030 1.00 51.11 H new ATOM 0 HB VAL A 43 -15.544 11.252 -20.974 1.00 44.02 H new ATOM 0 HG11 VAL A 43 -14.424 9.812 -19.323 1.00 62.22 H new ATOM 0 HG12 VAL A 43 -13.306 11.005 -20.025 1.00 62.22 H new ATOM 0 HG13 VAL A 43 -13.958 11.253 -18.388 1.00 62.22 H new ATOM 0 HG21 VAL A 43 -16.824 10.343 -19.079 1.00 44.53 H new ATOM 0 HG22 VAL A 43 -16.458 11.805 -18.134 1.00 44.53 H new ATOM 0 HG23 VAL A 43 -17.454 11.922 -19.604 1.00 44.53 H new ATOM 663 N ASP A 44 -16.829 14.387 -21.116 1.00 1.42 N ATOM 664 CA ASP A 44 -18.065 15.159 -21.160 1.00 13.51 C ATOM 665 C ASP A 44 -18.961 14.686 -22.300 1.00 35.41 C ATOM 666 O ASP A 44 -18.698 14.967 -23.470 1.00 5.24 O ATOM 667 CB ASP A 44 -17.756 16.649 -21.323 1.00 32.51 C ATOM 668 CG ASP A 44 -16.837 16.924 -22.496 1.00 64.12 C ATOM 669 OD1 ASP A 44 -15.632 16.612 -22.392 1.00 32.35 O ATOM 670 OD2 ASP A 44 -17.321 17.452 -23.519 1.00 50.40 O ATOM 0 H ASP A 44 -16.393 14.236 -22.026 1.00 1.42 H new ATOM 0 HA ASP A 44 -18.593 15.006 -20.219 1.00 13.51 H new ATOM 0 HB2 ASP A 44 -18.688 17.198 -21.459 1.00 32.51 H new ATOM 0 HB3 ASP A 44 -17.296 17.024 -20.409 1.00 32.51 H new ATOM 675 N LEU A 45 -20.021 13.964 -21.952 1.00 30.14 N ATOM 676 CA LEU A 45 -20.957 13.449 -22.946 1.00 4.44 C ATOM 677 C LEU A 45 -22.355 13.307 -22.354 1.00 74.24 C ATOM 678 O LEU A 45 -22.519 13.206 -21.138 1.00 71.53 O ATOM 679 CB LEU A 45 -20.475 12.098 -23.477 1.00 2.22 C ATOM 680 CG LEU A 45 -20.202 12.026 -24.980 1.00 14.33 C ATOM 681 CD1 LEU A 45 -21.393 12.556 -25.764 1.00 20.40 C ATOM 682 CD2 LEU A 45 -18.942 12.803 -25.331 1.00 40.40 C ATOM 0 H LEU A 45 -20.254 13.722 -20.989 1.00 30.14 H new ATOM 0 HA LEU A 45 -21.002 14.161 -23.770 1.00 4.44 H new ATOM 0 HB2 LEU A 45 -19.561 11.828 -22.949 1.00 2.22 H new ATOM 0 HB3 LEU A 45 -21.222 11.345 -23.227 1.00 2.22 H new ATOM 0 HG LEU A 45 -20.048 10.982 -25.253 1.00 14.33 H new ATOM 0 HD11 LEU A 45 -21.181 12.497 -26.832 1.00 20.40 H new ATOM 0 HD12 LEU A 45 -22.275 11.957 -25.536 1.00 20.40 H new ATOM 0 HD13 LEU A 45 -21.578 13.594 -25.487 1.00 20.40 H new ATOM 0 HD21 LEU A 45 -18.763 12.741 -26.404 1.00 40.40 H new ATOM 0 HD22 LEU A 45 -19.067 13.847 -25.044 1.00 40.40 H new ATOM 0 HD23 LEU A 45 -18.092 12.379 -24.797 1.00 40.40 H new ATOM 694 N TYR A 46 -23.361 13.297 -23.223 1.00 3.54 N ATOM 695 CA TYR A 46 -24.746 13.167 -22.787 1.00 1.24 C ATOM 696 C TYR A 46 -25.159 14.355 -21.924 1.00 14.44 C ATOM 697 O TYR A 46 -26.082 14.259 -21.115 1.00 24.10 O ATOM 698 CB TYR A 46 -24.937 11.865 -22.007 1.00 1.31 C ATOM 699 CG TYR A 46 -24.469 10.637 -22.755 1.00 2.33 C ATOM 700 CD1 TYR A 46 -25.220 10.106 -23.796 1.00 21.21 C ATOM 701 CD2 TYR A 46 -23.276 10.008 -22.420 1.00 12.13 C ATOM 702 CE1 TYR A 46 -24.797 8.984 -24.482 1.00 23.44 C ATOM 703 CE2 TYR A 46 -22.844 8.887 -23.101 1.00 35.41 C ATOM 704 CZ TYR A 46 -23.608 8.378 -24.131 1.00 12.02 C ATOM 705 OH TYR A 46 -23.182 7.260 -24.811 1.00 12.12 O ATOM 0 H TYR A 46 -23.242 13.377 -24.233 1.00 3.54 H new ATOM 0 HA TYR A 46 -25.379 13.148 -23.674 1.00 1.24 H new ATOM 0 HB2 TYR A 46 -24.396 11.934 -21.063 1.00 1.31 H new ATOM 0 HB3 TYR A 46 -25.993 11.750 -21.761 1.00 1.31 H new ATOM 0 HD1 TYR A 46 -26.151 10.578 -24.074 1.00 21.21 H new ATOM 0 HD2 TYR A 46 -22.676 10.403 -21.613 1.00 12.13 H new ATOM 0 HE1 TYR A 46 -25.393 8.583 -25.288 1.00 23.44 H new ATOM 0 HE2 TYR A 46 -21.913 8.411 -22.829 1.00 35.41 H new ATOM 0 HH TYR A 46 -22.327 6.958 -24.440 1.00 12.12 H new ATOM 715 N GLY A 47 -24.469 15.478 -22.103 1.00 32.30 N ATOM 716 CA GLY A 47 -24.778 16.670 -21.335 1.00 74.41 C ATOM 717 C GLY A 47 -24.271 16.589 -19.909 1.00 64.41 C ATOM 718 O GLY A 47 -24.496 17.498 -19.111 1.00 51.04 O ATOM 0 H GLY A 47 -23.701 15.583 -22.766 1.00 32.30 H new ATOM 0 HA2 GLY A 47 -24.338 17.538 -21.825 1.00 74.41 H new ATOM 0 HA3 GLY A 47 -25.857 16.823 -21.325 1.00 74.41 H new ATOM 722 N GLN A 48 -23.585 15.496 -19.588 1.00 1.20 N ATOM 723 CA GLN A 48 -23.046 15.300 -18.247 1.00 73.43 C ATOM 724 C GLN A 48 -21.521 15.283 -18.270 1.00 55.13 C ATOM 725 O GLN A 48 -20.909 14.616 -19.105 1.00 34.03 O ATOM 726 CB GLN A 48 -23.573 13.994 -17.650 1.00 33.05 C ATOM 727 CG GLN A 48 -25.062 13.781 -17.871 1.00 71.31 C ATOM 728 CD GLN A 48 -25.714 13.003 -16.745 1.00 32.00 C ATOM 729 OE1 GLN A 48 -25.937 11.797 -16.856 1.00 23.15 O ATOM 730 NE2 GLN A 48 -26.024 13.691 -15.652 1.00 74.23 N ATOM 0 H GLN A 48 -23.390 14.734 -20.237 1.00 1.20 H new ATOM 0 HA GLN A 48 -23.372 16.134 -17.626 1.00 73.43 H new ATOM 0 HB2 GLN A 48 -23.026 13.158 -18.086 1.00 33.05 H new ATOM 0 HB3 GLN A 48 -23.368 13.985 -16.579 1.00 33.05 H new ATOM 0 HG2 GLN A 48 -25.553 14.749 -17.970 1.00 71.31 H new ATOM 0 HG3 GLN A 48 -25.214 13.249 -18.810 1.00 71.31 H new ATOM 0 HE21 GLN A 48 -25.821 14.689 -15.603 1.00 74.23 H new ATOM 0 HE22 GLN A 48 -26.465 13.221 -14.861 1.00 74.23 H new ATOM 739 N LYS A 49 -20.913 16.022 -17.349 1.00 2.11 N ATOM 740 CA LYS A 49 -19.459 16.093 -17.262 1.00 31.44 C ATOM 741 C LYS A 49 -18.945 15.276 -16.080 1.00 43.42 C ATOM 742 O LYS A 49 -19.436 15.412 -14.959 1.00 64.32 O ATOM 743 CB LYS A 49 -19.006 17.548 -17.126 1.00 23.13 C ATOM 744 CG LYS A 49 -19.154 18.353 -18.405 1.00 11.20 C ATOM 745 CD LYS A 49 -19.860 19.675 -18.153 1.00 72.11 C ATOM 746 CE LYS A 49 -18.923 20.698 -17.530 1.00 64.20 C ATOM 747 NZ LYS A 49 -17.876 21.148 -18.489 1.00 74.03 N ATOM 0 H LYS A 49 -21.405 16.581 -16.652 1.00 2.11 H new ATOM 0 HA LYS A 49 -19.044 15.674 -18.179 1.00 31.44 H new ATOM 0 HB2 LYS A 49 -19.584 18.027 -16.336 1.00 23.13 H new ATOM 0 HB3 LYS A 49 -17.962 17.567 -16.813 1.00 23.13 H new ATOM 0 HG2 LYS A 49 -18.170 18.541 -18.834 1.00 11.20 H new ATOM 0 HG3 LYS A 49 -19.715 17.774 -19.138 1.00 11.20 H new ATOM 0 HD2 LYS A 49 -20.252 20.064 -19.093 1.00 72.11 H new ATOM 0 HD3 LYS A 49 -20.713 19.513 -17.494 1.00 72.11 H new ATOM 0 HE2 LYS A 49 -19.499 21.559 -17.191 1.00 64.20 H new ATOM 0 HE3 LYS A 49 -18.447 20.266 -16.650 1.00 64.20 H new ATOM 0 HZ1 LYS A 49 -17.458 22.039 -18.153 1.00 74.03 H new ATOM 0 HZ2 LYS A 49 -17.134 20.422 -18.559 1.00 74.03 H new ATOM 0 HZ3 LYS A 49 -18.304 21.297 -19.425 1.00 74.03 H new ATOM 761 N TYR A 50 -17.953 14.431 -16.338 1.00 72.12 N ATOM 762 CA TYR A 50 -17.373 13.592 -15.296 1.00 11.40 C ATOM 763 C TYR A 50 -15.871 13.426 -15.504 1.00 2.33 C ATOM 764 O TYR A 50 -15.374 13.517 -16.626 1.00 64.34 O ATOM 765 CB TYR A 50 -18.051 12.222 -15.279 1.00 34.55 C ATOM 766 CG TYR A 50 -19.554 12.291 -15.124 1.00 2.35 C ATOM 767 CD1 TYR A 50 -20.129 12.811 -13.971 1.00 13.44 C ATOM 768 CD2 TYR A 50 -20.398 11.836 -16.129 1.00 2.50 C ATOM 769 CE1 TYR A 50 -21.502 12.877 -13.824 1.00 65.41 C ATOM 770 CE2 TYR A 50 -21.771 11.899 -15.992 1.00 1.13 C ATOM 771 CZ TYR A 50 -22.318 12.420 -14.838 1.00 20.35 C ATOM 772 OH TYR A 50 -23.685 12.483 -14.696 1.00 73.54 O ATOM 0 H TYR A 50 -17.534 14.309 -17.260 1.00 72.12 H new ATOM 0 HA TYR A 50 -17.537 14.083 -14.337 1.00 11.40 H new ATOM 0 HB2 TYR A 50 -17.813 11.697 -16.204 1.00 34.55 H new ATOM 0 HB3 TYR A 50 -17.637 11.631 -14.462 1.00 34.55 H new ATOM 0 HD1 TYR A 50 -19.492 13.170 -13.176 1.00 13.44 H new ATOM 0 HD2 TYR A 50 -19.973 11.426 -17.033 1.00 2.50 H new ATOM 0 HE1 TYR A 50 -21.933 13.284 -12.921 1.00 65.41 H new ATOM 0 HE2 TYR A 50 -22.413 11.542 -16.784 1.00 1.13 H new ATOM 0 HH TYR A 50 -23.920 13.245 -14.126 1.00 73.54 H new ATOM 782 N PHE A 51 -15.153 13.182 -14.412 1.00 43.05 N ATOM 783 CA PHE A 51 -13.707 13.003 -14.473 1.00 3.20 C ATOM 784 C PHE A 51 -13.327 11.548 -14.212 1.00 13.53 C ATOM 785 O PHE A 51 -13.841 10.918 -13.287 1.00 50.33 O ATOM 786 CB PHE A 51 -13.016 13.913 -13.455 1.00 60.00 C ATOM 787 CG PHE A 51 -12.981 15.357 -13.868 1.00 64.42 C ATOM 788 CD1 PHE A 51 -14.156 16.061 -14.073 1.00 50.04 C ATOM 789 CD2 PHE A 51 -11.772 16.009 -14.051 1.00 12.31 C ATOM 790 CE1 PHE A 51 -14.126 17.389 -14.454 1.00 52.25 C ATOM 791 CE2 PHE A 51 -11.736 17.338 -14.431 1.00 72.45 C ATOM 792 CZ PHE A 51 -12.915 18.029 -14.632 1.00 61.45 C ATOM 0 H PHE A 51 -15.549 13.104 -13.475 1.00 43.05 H new ATOM 0 HA PHE A 51 -13.375 13.272 -15.476 1.00 3.20 H new ATOM 0 HB2 PHE A 51 -13.530 13.830 -12.497 1.00 60.00 H new ATOM 0 HB3 PHE A 51 -11.995 13.563 -13.300 1.00 60.00 H new ATOM 0 HD1 PHE A 51 -15.106 15.567 -13.934 1.00 50.04 H new ATOM 0 HD2 PHE A 51 -10.847 15.473 -13.895 1.00 12.31 H new ATOM 0 HE1 PHE A 51 -15.049 17.926 -14.613 1.00 52.25 H new ATOM 0 HE2 PHE A 51 -10.787 17.835 -14.570 1.00 72.45 H new ATOM 0 HZ PHE A 51 -12.890 19.067 -14.928 1.00 61.45 H new ATOM 802 N ARG A 52 -12.425 11.022 -15.033 1.00 61.11 N ATOM 803 CA ARG A 52 -11.977 9.642 -14.893 1.00 35.52 C ATOM 804 C ARG A 52 -10.454 9.558 -14.920 1.00 11.41 C ATOM 805 O ARG A 52 -9.791 10.350 -15.591 1.00 74.12 O ATOM 806 CB ARG A 52 -12.566 8.776 -16.009 1.00 10.33 C ATOM 807 CG ARG A 52 -13.894 8.133 -15.644 1.00 62.51 C ATOM 808 CD ARG A 52 -14.892 8.230 -16.787 1.00 15.12 C ATOM 809 NE ARG A 52 -14.916 7.016 -17.599 1.00 3.34 N ATOM 810 CZ ARG A 52 -15.585 5.920 -17.262 1.00 34.31 C ATOM 811 NH1 ARG A 52 -16.284 5.885 -16.135 1.00 63.04 N ATOM 812 NH2 ARG A 52 -15.558 4.855 -18.053 1.00 61.12 N ATOM 0 H ARG A 52 -11.990 11.531 -15.803 1.00 61.11 H new ATOM 0 HA ARG A 52 -12.327 9.270 -13.930 1.00 35.52 H new ATOM 0 HB2 ARG A 52 -12.701 9.389 -16.900 1.00 10.33 H new ATOM 0 HB3 ARG A 52 -11.852 7.994 -16.266 1.00 10.33 H new ATOM 0 HG2 ARG A 52 -13.734 7.086 -15.387 1.00 62.51 H new ATOM 0 HG3 ARG A 52 -14.304 8.620 -14.759 1.00 62.51 H new ATOM 0 HD2 ARG A 52 -15.888 8.416 -16.384 1.00 15.12 H new ATOM 0 HD3 ARG A 52 -14.639 9.083 -17.417 1.00 15.12 H new ATOM 0 HE ARG A 52 -14.390 7.010 -18.473 1.00 3.34 H new ATOM 0 HH11 ARG A 52 -16.309 6.702 -15.525 1.00 63.04 H new ATOM 0 HH12 ARG A 52 -16.797 5.041 -15.879 1.00 63.04 H new ATOM 0 HH21 ARG A 52 -15.023 4.878 -18.921 1.00 61.12 H new ATOM 0 HH22 ARG A 52 -16.072 4.013 -17.793 1.00 61.12 H new ATOM 826 N ILE A 53 -9.906 8.596 -14.186 1.00 31.12 N ATOM 827 CA ILE A 53 -8.462 8.410 -14.126 1.00 63.45 C ATOM 828 C ILE A 53 -8.079 6.971 -14.458 1.00 41.20 C ATOM 829 O ILE A 53 -8.721 6.025 -14.000 1.00 62.10 O ATOM 830 CB ILE A 53 -7.904 8.770 -12.737 1.00 12.02 C ATOM 831 CG1 ILE A 53 -7.904 7.539 -11.828 1.00 73.02 C ATOM 832 CG2 ILE A 53 -8.719 9.894 -12.115 1.00 3.43 C ATOM 833 CD1 ILE A 53 -6.650 6.701 -11.946 1.00 12.35 C ATOM 0 H ILE A 53 -10.440 7.933 -13.624 1.00 31.12 H new ATOM 0 HA ILE A 53 -8.027 9.080 -14.867 1.00 63.45 H new ATOM 0 HB ILE A 53 -6.876 9.113 -12.852 1.00 12.02 H new ATOM 0 HG12 ILE A 53 -8.020 7.861 -10.793 1.00 73.02 H new ATOM 0 HG13 ILE A 53 -8.769 6.920 -12.068 1.00 73.02 H new ATOM 0 HG21 ILE A 53 -8.313 10.138 -11.133 1.00 3.43 H new ATOM 0 HG22 ILE A 53 -8.673 10.775 -12.756 1.00 3.43 H new ATOM 0 HG23 ILE A 53 -9.756 9.576 -12.010 1.00 3.43 H new ATOM 0 HD11 ILE A 53 -6.719 5.846 -11.274 1.00 12.35 H new ATOM 0 HD12 ILE A 53 -6.543 6.348 -12.972 1.00 12.35 H new ATOM 0 HD13 ILE A 53 -5.783 7.304 -11.678 1.00 12.35 H new ATOM 845 N LEU A 54 -7.028 6.813 -15.255 1.00 51.42 N ATOM 846 CA LEU A 54 -6.557 5.489 -15.647 1.00 52.53 C ATOM 847 C LEU A 54 -5.145 5.238 -15.129 1.00 2.40 C ATOM 848 O LEU A 54 -4.242 6.049 -15.338 1.00 51.04 O ATOM 849 CB LEU A 54 -6.587 5.346 -17.170 1.00 1.21 C ATOM 850 CG LEU A 54 -6.761 3.925 -17.707 1.00 44.11 C ATOM 851 CD1 LEU A 54 -6.782 3.928 -19.228 1.00 14.23 C ATOM 852 CD2 LEU A 54 -5.652 3.020 -17.190 1.00 11.14 C ATOM 0 H LEU A 54 -6.486 7.585 -15.642 1.00 51.42 H new ATOM 0 HA LEU A 54 -7.223 4.748 -15.205 1.00 52.53 H new ATOM 0 HB2 LEU A 54 -7.399 5.961 -17.557 1.00 1.21 H new ATOM 0 HB3 LEU A 54 -5.659 5.754 -17.572 1.00 1.21 H new ATOM 0 HG LEU A 54 -7.715 3.537 -17.351 1.00 44.11 H new ATOM 0 HD11 LEU A 54 -6.907 2.908 -19.592 1.00 14.23 H new ATOM 0 HD12 LEU A 54 -7.611 4.543 -19.579 1.00 14.23 H new ATOM 0 HD13 LEU A 54 -5.844 4.335 -19.604 1.00 14.23 H new ATOM 0 HD21 LEU A 54 -5.792 2.013 -17.582 1.00 11.14 H new ATOM 0 HD22 LEU A 54 -4.686 3.406 -17.516 1.00 11.14 H new ATOM 0 HD23 LEU A 54 -5.683 2.993 -16.101 1.00 11.14 H new ATOM 864 N PHE A 55 -4.960 4.109 -14.453 1.00 51.12 N ATOM 865 CA PHE A 55 -3.657 3.750 -13.906 1.00 0.11 C ATOM 866 C PHE A 55 -3.266 2.334 -14.317 1.00 62.32 C ATOM 867 O PHE A 55 -3.979 1.374 -14.028 1.00 73.30 O ATOM 868 CB PHE A 55 -3.672 3.864 -12.380 1.00 41.52 C ATOM 869 CG PHE A 55 -2.535 3.144 -11.714 1.00 2.11 C ATOM 870 CD1 PHE A 55 -1.256 3.199 -12.245 1.00 73.32 C ATOM 871 CD2 PHE A 55 -2.744 2.412 -10.556 1.00 75.24 C ATOM 872 CE1 PHE A 55 -0.208 2.537 -11.634 1.00 44.34 C ATOM 873 CE2 PHE A 55 -1.700 1.749 -9.941 1.00 64.30 C ATOM 874 CZ PHE A 55 -0.430 1.810 -10.481 1.00 41.43 C ATOM 0 H PHE A 55 -5.696 3.427 -14.271 1.00 51.12 H new ATOM 0 HA PHE A 55 -2.918 4.443 -14.308 1.00 0.11 H new ATOM 0 HB2 PHE A 55 -3.637 4.917 -12.102 1.00 41.52 H new ATOM 0 HB3 PHE A 55 -4.614 3.466 -12.003 1.00 41.52 H new ATOM 0 HD1 PHE A 55 -1.076 3.766 -13.147 1.00 73.32 H new ATOM 0 HD2 PHE A 55 -3.735 2.359 -10.129 1.00 75.24 H new ATOM 0 HE1 PHE A 55 0.784 2.588 -12.058 1.00 44.34 H new ATOM 0 HE2 PHE A 55 -1.877 1.183 -9.038 1.00 64.30 H new ATOM 0 HZ PHE A 55 0.387 1.291 -10.003 1.00 41.43 H new ATOM 884 N GLN A 56 -2.128 2.213 -14.994 1.00 12.32 N ATOM 885 CA GLN A 56 -1.643 0.915 -15.446 1.00 63.02 C ATOM 886 C GLN A 56 -0.153 0.760 -15.158 1.00 12.13 C ATOM 887 O GLN A 56 0.584 1.744 -15.103 1.00 1.31 O ATOM 888 CB GLN A 56 -1.905 0.742 -16.943 1.00 51.13 C ATOM 889 CG GLN A 56 -1.491 -0.618 -17.480 1.00 62.34 C ATOM 890 CD GLN A 56 -2.173 -0.961 -18.790 1.00 70.11 C ATOM 891 OE1 GLN A 56 -3.112 -0.284 -19.210 1.00 31.20 O ATOM 892 NE2 GLN A 56 -1.703 -2.017 -19.444 1.00 33.11 N ATOM 0 H GLN A 56 -1.525 2.998 -15.241 1.00 12.32 H new ATOM 0 HA GLN A 56 -2.183 0.143 -14.898 1.00 63.02 H new ATOM 0 HB2 GLN A 56 -2.967 0.892 -17.137 1.00 51.13 H new ATOM 0 HB3 GLN A 56 -1.368 1.518 -17.489 1.00 51.13 H new ATOM 0 HG2 GLN A 56 -0.410 -0.635 -17.622 1.00 62.34 H new ATOM 0 HG3 GLN A 56 -1.727 -1.383 -16.741 1.00 62.34 H new ATOM 0 HE21 GLN A 56 -0.923 -2.550 -19.059 1.00 33.11 H new ATOM 0 HE22 GLN A 56 -2.122 -2.295 -20.331 1.00 33.11 H new ATOM 901 N SER A 57 0.283 -0.482 -14.974 1.00 11.03 N ATOM 902 CA SER A 57 1.684 -0.765 -14.687 1.00 22.55 C ATOM 903 C SER A 57 2.325 -1.549 -15.828 1.00 71.11 C ATOM 904 O SER A 57 1.640 -2.016 -16.738 1.00 54.12 O ATOM 905 CB SER A 57 1.810 -1.551 -13.380 1.00 21.12 C ATOM 906 OG SER A 57 1.268 -2.854 -13.514 1.00 12.54 O ATOM 0 H SER A 57 -0.314 -1.308 -15.019 1.00 11.03 H new ATOM 0 HA SER A 57 2.207 0.186 -14.584 1.00 22.55 H new ATOM 0 HB2 SER A 57 2.859 -1.618 -13.092 1.00 21.12 H new ATOM 0 HB3 SER A 57 1.293 -1.019 -12.581 1.00 21.12 H new ATOM 0 HG SER A 57 1.993 -3.513 -13.499 1.00 12.54 H new ATOM 912 N LYS A 58 3.645 -1.689 -15.773 1.00 20.41 N ATOM 913 CA LYS A 58 4.381 -2.417 -16.800 1.00 2.10 C ATOM 914 C LYS A 58 4.618 -3.863 -16.378 1.00 30.50 C ATOM 915 O LYS A 58 4.764 -4.751 -17.219 1.00 54.31 O ATOM 916 CB LYS A 58 5.720 -1.730 -17.080 1.00 30.42 C ATOM 917 CG LYS A 58 5.987 -1.497 -18.557 1.00 13.33 C ATOM 918 CD LYS A 58 7.377 -1.965 -18.953 1.00 73.03 C ATOM 919 CE LYS A 58 8.416 -0.877 -18.730 1.00 23.54 C ATOM 920 NZ LYS A 58 9.804 -1.399 -18.873 1.00 11.41 N ATOM 0 H LYS A 58 4.228 -1.308 -15.028 1.00 20.41 H new ATOM 0 HA LYS A 58 3.782 -2.417 -17.710 1.00 2.10 H new ATOM 0 HB2 LYS A 58 5.743 -0.772 -16.560 1.00 30.42 H new ATOM 0 HB3 LYS A 58 6.524 -2.338 -16.665 1.00 30.42 H new ATOM 0 HG2 LYS A 58 5.241 -2.026 -19.150 1.00 13.33 H new ATOM 0 HG3 LYS A 58 5.881 -0.436 -18.784 1.00 13.33 H new ATOM 0 HD2 LYS A 58 7.644 -2.848 -18.373 1.00 73.03 H new ATOM 0 HD3 LYS A 58 7.377 -2.260 -20.002 1.00 73.03 H new ATOM 0 HE2 LYS A 58 8.256 -0.070 -19.445 1.00 23.54 H new ATOM 0 HE3 LYS A 58 8.289 -0.451 -17.735 1.00 23.54 H new ATOM 0 HZ1 LYS A 58 10.483 -0.628 -18.714 1.00 11.41 H new ATOM 0 HZ2 LYS A 58 9.965 -2.152 -18.174 1.00 11.41 H new ATOM 0 HZ3 LYS A 58 9.934 -1.782 -19.831 1.00 11.41 H new ATOM 934 N LYS A 59 4.654 -4.095 -15.070 1.00 61.11 N ATOM 935 CA LYS A 59 4.870 -5.434 -14.535 1.00 62.35 C ATOM 936 C LYS A 59 3.603 -6.276 -14.649 1.00 65.41 C ATOM 937 O LYS A 59 3.605 -7.465 -14.326 1.00 12.05 O ATOM 938 CB LYS A 59 5.314 -5.356 -13.073 1.00 21.30 C ATOM 939 CG LYS A 59 5.662 -6.706 -12.470 1.00 71.41 C ATOM 940 CD LYS A 59 6.683 -7.448 -13.316 1.00 70.40 C ATOM 941 CE LYS A 59 8.009 -6.706 -13.368 1.00 2.41 C ATOM 942 NZ LYS A 59 8.746 -6.795 -12.077 1.00 31.02 N ATOM 0 H LYS A 59 4.536 -3.372 -14.360 1.00 61.11 H new ATOM 0 HA LYS A 59 5.656 -5.910 -15.121 1.00 62.35 H new ATOM 0 HB2 LYS A 59 6.182 -4.700 -13.000 1.00 21.30 H new ATOM 0 HB3 LYS A 59 4.519 -4.899 -12.484 1.00 21.30 H new ATOM 0 HG2 LYS A 59 6.056 -6.565 -11.463 1.00 71.41 H new ATOM 0 HG3 LYS A 59 4.758 -7.308 -12.378 1.00 71.41 H new ATOM 0 HD2 LYS A 59 6.839 -8.446 -12.907 1.00 70.40 H new ATOM 0 HD3 LYS A 59 6.296 -7.575 -14.327 1.00 70.40 H new ATOM 0 HE2 LYS A 59 8.625 -7.119 -14.167 1.00 2.41 H new ATOM 0 HE3 LYS A 59 7.830 -5.659 -13.612 1.00 2.41 H new ATOM 0 HZ1 LYS A 59 9.401 -5.991 -11.995 1.00 31.02 H new ATOM 0 HZ2 LYS A 59 8.069 -6.772 -11.288 1.00 31.02 H new ATOM 0 HZ3 LYS A 59 9.284 -7.684 -12.045 1.00 31.02 H new ATOM 956 N LEU A 60 2.525 -5.654 -15.112 1.00 34.55 N ATOM 957 CA LEU A 60 1.251 -6.348 -15.270 1.00 13.44 C ATOM 958 C LEU A 60 1.449 -7.708 -15.929 1.00 64.43 C ATOM 959 O LEU A 60 1.671 -7.798 -17.137 1.00 2.52 O ATOM 960 CB LEU A 60 0.287 -5.500 -16.102 1.00 34.42 C ATOM 961 CG LEU A 60 -1.054 -6.151 -16.445 1.00 63.44 C ATOM 962 CD1 LEU A 60 -0.954 -6.919 -17.755 1.00 14.52 C ATOM 963 CD2 LEU A 60 -1.504 -7.071 -15.320 1.00 13.45 C ATOM 0 H LEU A 60 2.507 -4.671 -15.385 1.00 34.55 H new ATOM 0 HA LEU A 60 0.825 -6.505 -14.279 1.00 13.44 H new ATOM 0 HB2 LEU A 60 0.091 -4.574 -15.562 1.00 34.42 H new ATOM 0 HB3 LEU A 60 0.785 -5.228 -17.033 1.00 34.42 H new ATOM 0 HG LEU A 60 -1.798 -5.364 -16.563 1.00 63.44 H new ATOM 0 HD11 LEU A 60 -1.917 -7.376 -17.983 1.00 14.52 H new ATOM 0 HD12 LEU A 60 -0.677 -6.235 -18.557 1.00 14.52 H new ATOM 0 HD13 LEU A 60 -0.196 -7.697 -17.664 1.00 14.52 H new ATOM 0 HD21 LEU A 60 -2.460 -7.525 -15.582 1.00 13.45 H new ATOM 0 HD22 LEU A 60 -0.760 -7.853 -15.170 1.00 13.45 H new ATOM 0 HD23 LEU A 60 -1.616 -6.495 -14.401 1.00 13.45 H new ATOM 975 N SER A 61 1.366 -8.766 -15.129 1.00 22.22 N ATOM 976 CA SER A 61 1.538 -10.123 -15.635 1.00 23.04 C ATOM 977 C SER A 61 0.221 -10.891 -15.588 1.00 60.25 C ATOM 978 O SER A 61 -0.616 -10.657 -14.717 1.00 44.01 O ATOM 979 CB SER A 61 2.602 -10.862 -14.820 1.00 73.43 C ATOM 980 OG SER A 61 2.508 -10.537 -13.444 1.00 73.32 O ATOM 0 H SER A 61 1.181 -8.710 -14.128 1.00 22.22 H new ATOM 0 HA SER A 61 1.864 -10.059 -16.673 1.00 23.04 H new ATOM 0 HB2 SER A 61 2.483 -11.937 -14.952 1.00 73.43 H new ATOM 0 HB3 SER A 61 3.594 -10.603 -15.191 1.00 73.43 H new ATOM 0 HG SER A 61 3.197 -11.023 -12.945 1.00 73.32 H new ATOM 986 N GLU A 62 0.045 -11.809 -16.534 1.00 22.44 N ATOM 987 CA GLU A 62 -1.171 -12.612 -16.602 1.00 5.24 C ATOM 988 C GLU A 62 -1.214 -13.631 -15.467 1.00 0.25 C ATOM 989 O GLU A 62 -2.265 -13.868 -14.870 1.00 31.03 O ATOM 990 CB GLU A 62 -1.260 -13.330 -17.950 1.00 3.31 C ATOM 991 CG GLU A 62 -1.921 -12.501 -19.038 1.00 43.32 C ATOM 992 CD GLU A 62 -1.013 -11.410 -19.573 1.00 72.12 C ATOM 993 OE1 GLU A 62 0.190 -11.682 -19.770 1.00 14.53 O ATOM 994 OE2 GLU A 62 -1.507 -10.285 -19.796 1.00 1.43 O ATOM 0 H GLU A 62 0.728 -12.015 -17.263 1.00 22.44 H new ATOM 0 HA GLU A 62 -2.024 -11.942 -16.498 1.00 5.24 H new ATOM 0 HB2 GLU A 62 -0.256 -13.604 -18.273 1.00 3.31 H new ATOM 0 HB3 GLU A 62 -1.818 -14.258 -17.822 1.00 3.31 H new ATOM 0 HG2 GLU A 62 -2.219 -13.155 -19.858 1.00 43.32 H new ATOM 0 HG3 GLU A 62 -2.831 -12.050 -18.643 1.00 43.32 H new ATOM 1001 N LEU A 63 -0.066 -14.231 -15.174 1.00 45.11 N ATOM 1002 CA LEU A 63 0.029 -15.225 -14.111 1.00 61.50 C ATOM 1003 C LEU A 63 -0.072 -14.567 -12.739 1.00 21.02 C ATOM 1004 O LEU A 63 -0.215 -13.349 -12.632 1.00 44.52 O ATOM 1005 CB LEU A 63 1.345 -15.997 -14.223 1.00 60.24 C ATOM 1006 CG LEU A 63 1.380 -17.117 -15.264 1.00 74.00 C ATOM 1007 CD1 LEU A 63 0.298 -18.147 -14.976 1.00 43.11 C ATOM 1008 CD2 LEU A 63 1.217 -16.548 -16.666 1.00 12.42 C ATOM 0 H LEU A 63 0.813 -14.046 -15.658 1.00 45.11 H new ATOM 0 HA LEU A 63 -0.803 -15.920 -14.222 1.00 61.50 H new ATOM 0 HB2 LEU A 63 2.140 -15.288 -14.454 1.00 60.24 H new ATOM 0 HB3 LEU A 63 1.575 -16.427 -13.248 1.00 60.24 H new ATOM 0 HG LEU A 63 2.350 -17.612 -15.205 1.00 74.00 H new ATOM 0 HD11 LEU A 63 0.338 -18.936 -15.727 1.00 43.11 H new ATOM 0 HD12 LEU A 63 0.459 -18.578 -13.988 1.00 43.11 H new ATOM 0 HD13 LEU A 63 -0.680 -17.666 -15.007 1.00 43.11 H new ATOM 0 HD21 LEU A 63 1.244 -17.359 -17.393 1.00 12.42 H new ATOM 0 HD22 LEU A 63 0.262 -16.028 -16.739 1.00 12.42 H new ATOM 0 HD23 LEU A 63 2.028 -15.849 -16.871 1.00 12.42 H new ATOM 1020 N HIS A 64 0.005 -15.381 -11.691 1.00 1.25 N ATOM 1021 CA HIS A 64 -0.075 -14.877 -10.324 1.00 42.11 C ATOM 1022 C HIS A 64 -1.434 -14.237 -10.060 1.00 13.23 C ATOM 1023 O HIS A 64 -1.575 -13.014 -10.022 1.00 32.33 O ATOM 1024 CB HIS A 64 1.039 -13.861 -10.067 1.00 32.34 C ATOM 1025 CG HIS A 64 1.467 -13.792 -8.633 1.00 60.41 C ATOM 1026 ND1 HIS A 64 2.716 -13.358 -8.241 1.00 35.24 N ATOM 1027 CD2 HIS A 64 0.804 -14.104 -7.495 1.00 72.31 C ATOM 1028 CE1 HIS A 64 2.802 -13.408 -6.923 1.00 44.53 C ATOM 1029 NE2 HIS A 64 1.655 -13.857 -6.447 1.00 3.54 N ATOM 0 H HIS A 64 0.123 -16.392 -11.762 1.00 1.25 H new ATOM 0 HA HIS A 64 0.048 -15.720 -9.644 1.00 42.11 H new ATOM 0 HB2 HIS A 64 1.901 -14.116 -10.683 1.00 32.34 H new ATOM 0 HB3 HIS A 64 0.701 -12.875 -10.385 1.00 32.34 H new ATOM 0 HD2 HIS A 64 -0.207 -14.478 -7.425 1.00 72.31 H new ATOM 0 HE1 HIS A 64 3.664 -13.129 -6.335 1.00 44.53 H new ATOM 0 HE2 HIS A 64 1.437 -13.997 -5.461 1.00 3.54 H new ATOM 1037 N PRO A 65 -2.460 -15.081 -9.873 1.00 51.31 N ATOM 1038 CA PRO A 65 -3.826 -14.620 -9.609 1.00 54.35 C ATOM 1039 C PRO A 65 -3.969 -13.987 -8.229 1.00 45.25 C ATOM 1040 O PRO A 65 -4.973 -13.340 -7.934 1.00 61.13 O ATOM 1041 CB PRO A 65 -4.657 -15.903 -9.697 1.00 42.44 C ATOM 1042 CG PRO A 65 -3.699 -16.997 -9.374 1.00 1.22 C ATOM 1043 CD PRO A 65 -2.365 -16.550 -9.905 1.00 1.23 C ATOM 0 HA PRO A 65 -4.136 -13.845 -10.310 1.00 54.35 H new ATOM 0 HB2 PRO A 65 -5.489 -15.885 -8.993 1.00 42.44 H new ATOM 0 HB3 PRO A 65 -5.084 -16.031 -10.692 1.00 42.44 H new ATOM 0 HG2 PRO A 65 -3.653 -17.170 -8.299 1.00 1.22 H new ATOM 0 HG3 PRO A 65 -4.008 -17.935 -9.835 1.00 1.22 H new ATOM 0 HD2 PRO A 65 -1.544 -16.913 -9.287 1.00 1.23 H new ATOM 0 HD3 PRO A 65 -2.190 -16.919 -10.915 1.00 1.23 H new ATOM 1051 N GLU A 66 -2.956 -14.177 -7.389 1.00 34.42 N ATOM 1052 CA GLU A 66 -2.970 -13.625 -6.040 1.00 15.44 C ATOM 1053 C GLU A 66 -2.675 -12.128 -6.062 1.00 0.41 C ATOM 1054 O GLU A 66 -3.126 -11.383 -5.193 1.00 13.05 O ATOM 1055 CB GLU A 66 -1.947 -14.344 -5.159 1.00 31.51 C ATOM 1056 CG GLU A 66 -2.407 -14.537 -3.724 1.00 15.23 C ATOM 1057 CD GLU A 66 -3.085 -15.875 -3.503 1.00 21.42 C ATOM 1058 OE1 GLU A 66 -3.860 -16.301 -4.384 1.00 35.11 O ATOM 1059 OE2 GLU A 66 -2.839 -16.497 -2.448 1.00 63.20 O ATOM 0 H GLU A 66 -2.116 -14.708 -7.619 1.00 34.42 H new ATOM 0 HA GLU A 66 -3.966 -13.776 -5.624 1.00 15.44 H new ATOM 0 HB2 GLU A 66 -1.726 -15.318 -5.595 1.00 31.51 H new ATOM 0 HB3 GLU A 66 -1.017 -13.776 -5.160 1.00 31.51 H new ATOM 0 HG2 GLU A 66 -1.549 -14.454 -3.057 1.00 15.23 H new ATOM 0 HG3 GLU A 66 -3.096 -13.736 -3.457 1.00 15.23 H new ATOM 1066 N GLU A 67 -1.914 -11.695 -7.062 1.00 64.53 N ATOM 1067 CA GLU A 67 -1.557 -10.288 -7.197 1.00 23.11 C ATOM 1068 C GLU A 67 -2.756 -9.464 -7.655 1.00 55.11 C ATOM 1069 O GLU A 67 -2.975 -8.349 -7.180 1.00 33.50 O ATOM 1070 CB GLU A 67 -0.403 -10.124 -8.188 1.00 61.25 C ATOM 1071 CG GLU A 67 0.969 -10.312 -7.563 1.00 31.14 C ATOM 1072 CD GLU A 67 2.024 -9.425 -8.193 1.00 44.24 C ATOM 1073 OE1 GLU A 67 2.158 -8.262 -7.758 1.00 4.10 O ATOM 1074 OE2 GLU A 67 2.716 -9.893 -9.122 1.00 11.51 O ATOM 0 H GLU A 67 -1.533 -12.299 -7.791 1.00 64.53 H new ATOM 0 HA GLU A 67 -1.241 -9.925 -6.219 1.00 23.11 H new ATOM 0 HB2 GLU A 67 -0.526 -10.844 -8.997 1.00 61.25 H new ATOM 0 HB3 GLU A 67 -0.457 -9.131 -8.634 1.00 61.25 H new ATOM 0 HG2 GLU A 67 0.910 -10.098 -6.496 1.00 31.14 H new ATOM 0 HG3 GLU A 67 1.270 -11.355 -7.663 1.00 31.14 H new ATOM 1081 N ARG A 68 -3.530 -10.020 -8.582 1.00 21.33 N ATOM 1082 CA ARG A 68 -4.706 -9.337 -9.106 1.00 33.01 C ATOM 1083 C ARG A 68 -5.725 -9.082 -7.999 1.00 11.20 C ATOM 1084 O ARG A 68 -6.315 -8.004 -7.919 1.00 61.03 O ATOM 1085 CB ARG A 68 -5.347 -10.163 -10.223 1.00 21.33 C ATOM 1086 CG ARG A 68 -4.342 -10.740 -11.207 1.00 11.13 C ATOM 1087 CD ARG A 68 -4.895 -10.755 -12.623 1.00 51.42 C ATOM 1088 NE ARG A 68 -3.857 -10.502 -13.619 1.00 22.23 N ATOM 1089 CZ ARG A 68 -4.107 -10.061 -14.846 1.00 74.45 C ATOM 1090 NH1 ARG A 68 -5.355 -9.825 -15.228 1.00 31.23 N ATOM 1091 NH2 ARG A 68 -3.109 -9.856 -15.696 1.00 2.44 N ATOM 0 H ARG A 68 -3.363 -10.942 -8.985 1.00 21.33 H new ATOM 0 HA ARG A 68 -4.387 -8.377 -9.511 1.00 33.01 H new ATOM 0 HB2 ARG A 68 -5.917 -10.979 -9.779 1.00 21.33 H new ATOM 0 HB3 ARG A 68 -6.056 -9.537 -10.765 1.00 21.33 H new ATOM 0 HG2 ARG A 68 -3.425 -10.151 -11.180 1.00 11.13 H new ATOM 0 HG3 ARG A 68 -4.079 -11.754 -10.907 1.00 11.13 H new ATOM 0 HD2 ARG A 68 -5.359 -11.721 -12.821 1.00 51.42 H new ATOM 0 HD3 ARG A 68 -5.677 -10.001 -12.715 1.00 51.42 H new ATOM 0 HE ARG A 68 -2.886 -10.674 -13.357 1.00 22.23 H new ATOM 0 HH11 ARG A 68 -6.126 -9.982 -14.578 1.00 31.23 H new ATOM 0 HH12 ARG A 68 -5.544 -9.486 -16.171 1.00 31.23 H new ATOM 0 HH21 ARG A 68 -2.148 -10.037 -15.407 1.00 2.44 H new ATOM 0 HH22 ARG A 68 -3.303 -9.517 -16.638 1.00 2.44 H new ATOM 1105 N LYS A 69 -5.928 -10.081 -7.147 1.00 4.24 N ATOM 1106 CA LYS A 69 -6.874 -9.966 -6.043 1.00 51.04 C ATOM 1107 C LYS A 69 -6.337 -9.037 -4.960 1.00 4.50 C ATOM 1108 O LYS A 69 -7.088 -8.273 -4.353 1.00 72.03 O ATOM 1109 CB LYS A 69 -7.165 -11.346 -5.448 1.00 52.54 C ATOM 1110 CG LYS A 69 -5.931 -12.050 -4.913 1.00 3.45 C ATOM 1111 CD LYS A 69 -6.273 -13.413 -4.336 1.00 23.21 C ATOM 1112 CE LYS A 69 -6.994 -13.290 -3.003 1.00 14.42 C ATOM 1113 NZ LYS A 69 -6.047 -13.325 -1.854 1.00 55.10 N ATOM 0 H LYS A 69 -5.450 -10.980 -7.200 1.00 4.24 H new ATOM 0 HA LYS A 69 -7.799 -9.543 -6.433 1.00 51.04 H new ATOM 0 HB2 LYS A 69 -7.890 -11.239 -4.641 1.00 52.54 H new ATOM 0 HB3 LYS A 69 -7.627 -11.971 -6.212 1.00 52.54 H new ATOM 0 HG2 LYS A 69 -5.201 -12.166 -5.714 1.00 3.45 H new ATOM 0 HG3 LYS A 69 -5.465 -11.435 -4.143 1.00 3.45 H new ATOM 0 HD2 LYS A 69 -6.899 -13.960 -5.040 1.00 23.21 H new ATOM 0 HD3 LYS A 69 -5.360 -13.993 -4.204 1.00 23.21 H new ATOM 0 HE2 LYS A 69 -7.558 -12.358 -2.980 1.00 14.42 H new ATOM 0 HE3 LYS A 69 -7.715 -14.101 -2.904 1.00 14.42 H new ATOM 0 HZ1 LYS A 69 -6.578 -13.238 -0.964 1.00 55.10 H new ATOM 0 HZ2 LYS A 69 -5.526 -14.225 -1.861 1.00 55.10 H new ATOM 0 HZ3 LYS A 69 -5.375 -12.536 -1.934 1.00 55.10 H new ATOM 1127 N LYS A 70 -5.031 -9.105 -4.722 1.00 51.04 N ATOM 1128 CA LYS A 70 -4.392 -8.268 -3.714 1.00 65.02 C ATOM 1129 C LYS A 70 -4.508 -6.792 -4.079 1.00 43.42 C ATOM 1130 O LYS A 70 -4.965 -5.977 -3.277 1.00 23.53 O ATOM 1131 CB LYS A 70 -2.918 -8.652 -3.563 1.00 20.43 C ATOM 1132 CG LYS A 70 -2.174 -7.816 -2.536 1.00 44.03 C ATOM 1133 CD LYS A 70 -1.075 -8.616 -1.856 1.00 51.31 C ATOM 1134 CE LYS A 70 -1.647 -9.620 -0.868 1.00 15.05 C ATOM 1135 NZ LYS A 70 -0.663 -9.981 0.190 1.00 44.43 N ATOM 0 H LYS A 70 -4.394 -9.732 -5.214 1.00 51.04 H new ATOM 0 HA LYS A 70 -4.903 -8.431 -2.765 1.00 65.02 H new ATOM 0 HB2 LYS A 70 -2.852 -9.703 -3.281 1.00 20.43 H new ATOM 0 HB3 LYS A 70 -2.424 -8.550 -4.529 1.00 20.43 H new ATOM 0 HG2 LYS A 70 -1.741 -6.942 -3.022 1.00 44.03 H new ATOM 0 HG3 LYS A 70 -2.876 -7.450 -1.787 1.00 44.03 H new ATOM 0 HD2 LYS A 70 -0.486 -9.140 -2.609 1.00 51.31 H new ATOM 0 HD3 LYS A 70 -0.398 -7.938 -1.336 1.00 51.31 H new ATOM 0 HE2 LYS A 70 -2.542 -9.204 -0.405 1.00 15.05 H new ATOM 0 HE3 LYS A 70 -1.953 -10.520 -1.401 1.00 15.05 H new ATOM 0 HZ1 LYS A 70 -1.092 -10.667 0.843 1.00 44.43 H new ATOM 0 HZ2 LYS A 70 0.181 -10.401 -0.249 1.00 44.43 H new ATOM 0 HZ3 LYS A 70 -0.390 -9.127 0.716 1.00 44.43 H new ATOM 1149 N VAL A 71 -4.093 -6.453 -5.296 1.00 5.13 N ATOM 1150 CA VAL A 71 -4.153 -5.075 -5.768 1.00 4.31 C ATOM 1151 C VAL A 71 -5.594 -4.587 -5.859 1.00 33.42 C ATOM 1152 O VAL A 71 -5.895 -3.441 -5.524 1.00 71.42 O ATOM 1153 CB VAL A 71 -3.484 -4.924 -7.147 1.00 64.31 C ATOM 1154 CG1 VAL A 71 -1.984 -5.156 -7.041 1.00 41.33 C ATOM 1155 CG2 VAL A 71 -4.110 -5.882 -8.150 1.00 3.22 C ATOM 0 H VAL A 71 -3.712 -7.114 -5.973 1.00 5.13 H new ATOM 0 HA VAL A 71 -3.612 -4.469 -5.041 1.00 4.31 H new ATOM 0 HB VAL A 71 -3.646 -3.906 -7.501 1.00 64.31 H new ATOM 0 HG11 VAL A 71 -1.528 -5.045 -8.025 1.00 41.33 H new ATOM 0 HG12 VAL A 71 -1.551 -4.427 -6.356 1.00 41.33 H new ATOM 0 HG13 VAL A 71 -1.797 -6.162 -6.666 1.00 41.33 H new ATOM 0 HG21 VAL A 71 -3.625 -5.762 -9.119 1.00 3.22 H new ATOM 0 HG22 VAL A 71 -3.980 -6.907 -7.804 1.00 3.22 H new ATOM 0 HG23 VAL A 71 -5.174 -5.664 -8.247 1.00 3.22 H new ATOM 1165 N ARG A 72 -6.482 -5.465 -6.313 1.00 74.41 N ATOM 1166 CA ARG A 72 -7.893 -5.124 -6.449 1.00 34.42 C ATOM 1167 C ARG A 72 -8.479 -4.691 -5.108 1.00 74.41 C ATOM 1168 O ARG A 72 -9.067 -3.616 -4.996 1.00 32.24 O ATOM 1169 CB ARG A 72 -8.678 -6.317 -6.999 1.00 23.12 C ATOM 1170 CG ARG A 72 -8.677 -6.399 -8.517 1.00 12.34 C ATOM 1171 CD ARG A 72 -9.542 -5.310 -9.133 1.00 62.32 C ATOM 1172 NE ARG A 72 -10.966 -5.562 -8.930 1.00 40.12 N ATOM 1173 CZ ARG A 72 -11.675 -6.409 -9.668 1.00 31.12 C ATOM 1174 NH1 ARG A 72 -11.095 -7.083 -10.651 1.00 50.35 N ATOM 1175 NH2 ARG A 72 -12.967 -6.584 -9.422 1.00 31.14 N ATOM 0 H ARG A 72 -6.249 -6.418 -6.593 1.00 74.41 H new ATOM 0 HA ARG A 72 -7.974 -4.291 -7.148 1.00 34.42 H new ATOM 0 HB2 ARG A 72 -8.256 -7.237 -6.594 1.00 23.12 H new ATOM 0 HB3 ARG A 72 -9.708 -6.257 -6.647 1.00 23.12 H new ATOM 0 HG2 ARG A 72 -7.656 -6.307 -8.887 1.00 12.34 H new ATOM 0 HG3 ARG A 72 -9.043 -7.377 -8.830 1.00 12.34 H new ATOM 0 HD2 ARG A 72 -9.278 -4.347 -8.696 1.00 62.32 H new ATOM 0 HD3 ARG A 72 -9.334 -5.243 -10.201 1.00 62.32 H new ATOM 0 HE ARG A 72 -11.442 -5.060 -8.181 1.00 40.12 H new ATOM 0 HH11 ARG A 72 -10.102 -6.952 -10.842 1.00 50.35 H new ATOM 0 HH12 ARG A 72 -11.642 -7.733 -11.216 1.00 50.35 H new ATOM 0 HH21 ARG A 72 -13.417 -6.068 -8.666 1.00 31.14 H new ATOM 0 HH22 ARG A 72 -13.511 -7.235 -9.989 1.00 31.14 H new ATOM 1189 N GLU A 73 -8.315 -5.537 -4.095 1.00 43.43 N ATOM 1190 CA GLU A 73 -8.829 -5.241 -2.763 1.00 41.02 C ATOM 1191 C GLU A 73 -8.027 -4.121 -2.107 1.00 0.23 C ATOM 1192 O GLU A 73 -8.572 -3.304 -1.364 1.00 31.10 O ATOM 1193 CB GLU A 73 -8.787 -6.494 -1.886 1.00 72.34 C ATOM 1194 CG GLU A 73 -7.380 -6.934 -1.519 1.00 42.50 C ATOM 1195 CD GLU A 73 -7.358 -8.241 -0.751 1.00 54.10 C ATOM 1196 OE1 GLU A 73 -8.372 -8.968 -0.789 1.00 35.43 O ATOM 1197 OE2 GLU A 73 -6.327 -8.536 -0.112 1.00 64.23 O ATOM 0 H GLU A 73 -7.831 -6.431 -4.172 1.00 43.43 H new ATOM 0 HA GLU A 73 -9.863 -4.912 -2.865 1.00 41.02 H new ATOM 0 HB2 GLU A 73 -9.350 -6.306 -0.972 1.00 72.34 H new ATOM 0 HB3 GLU A 73 -9.289 -7.309 -2.407 1.00 72.34 H new ATOM 0 HG2 GLU A 73 -6.788 -7.041 -2.428 1.00 42.50 H new ATOM 0 HG3 GLU A 73 -6.905 -6.157 -0.920 1.00 42.50 H new ATOM 1204 N LYS A 74 -6.728 -4.089 -2.386 1.00 33.24 N ATOM 1205 CA LYS A 74 -5.849 -3.070 -1.824 1.00 73.33 C ATOM 1206 C LYS A 74 -6.268 -1.677 -2.283 1.00 73.32 C ATOM 1207 O LYS A 74 -6.464 -0.777 -1.467 1.00 3.40 O ATOM 1208 CB LYS A 74 -4.399 -3.338 -2.232 1.00 24.24 C ATOM 1209 CG LYS A 74 -3.422 -2.291 -1.727 1.00 3.44 C ATOM 1210 CD LYS A 74 -3.365 -2.267 -0.208 1.00 54.43 C ATOM 1211 CE LYS A 74 -2.708 -3.521 0.345 1.00 64.51 C ATOM 1212 NZ LYS A 74 -1.988 -3.254 1.621 1.00 43.13 N ATOM 0 H LYS A 74 -6.261 -4.758 -2.998 1.00 33.24 H new ATOM 0 HA LYS A 74 -5.929 -3.115 -0.738 1.00 73.33 H new ATOM 0 HB2 LYS A 74 -4.099 -4.315 -1.854 1.00 24.24 H new ATOM 0 HB3 LYS A 74 -4.339 -3.384 -3.319 1.00 24.24 H new ATOM 0 HG2 LYS A 74 -2.429 -2.497 -2.126 1.00 3.44 H new ATOM 0 HG3 LYS A 74 -3.717 -1.309 -2.096 1.00 3.44 H new ATOM 0 HD2 LYS A 74 -2.811 -1.389 0.122 1.00 54.43 H new ATOM 0 HD3 LYS A 74 -4.374 -2.177 0.194 1.00 54.43 H new ATOM 0 HE2 LYS A 74 -3.467 -4.286 0.510 1.00 64.51 H new ATOM 0 HE3 LYS A 74 -2.008 -3.919 -0.390 1.00 64.51 H new ATOM 0 HZ1 LYS A 74 -1.554 -4.134 1.965 1.00 43.13 H new ATOM 0 HZ2 LYS A 74 -1.247 -2.543 1.459 1.00 43.13 H new ATOM 0 HZ3 LYS A 74 -2.660 -2.899 2.331 1.00 43.13 H new ATOM 1226 N PHE A 75 -6.406 -1.508 -3.594 1.00 40.30 N ATOM 1227 CA PHE A 75 -6.803 -0.224 -4.161 1.00 64.23 C ATOM 1228 C PHE A 75 -8.250 0.104 -3.805 1.00 44.11 C ATOM 1229 O PHE A 75 -8.597 1.264 -3.582 1.00 34.32 O ATOM 1230 CB PHE A 75 -6.631 -0.240 -5.682 1.00 3.54 C ATOM 1231 CG PHE A 75 -7.932 -0.252 -6.432 1.00 21.41 C ATOM 1232 CD1 PHE A 75 -8.582 0.932 -6.738 1.00 40.12 C ATOM 1233 CD2 PHE A 75 -8.505 -1.449 -6.830 1.00 71.33 C ATOM 1234 CE1 PHE A 75 -9.779 0.924 -7.429 1.00 33.21 C ATOM 1235 CE2 PHE A 75 -9.702 -1.464 -7.521 1.00 42.25 C ATOM 1236 CZ PHE A 75 -10.340 -0.276 -7.820 1.00 53.00 C ATOM 0 H PHE A 75 -6.249 -2.243 -4.283 1.00 40.30 H new ATOM 0 HA PHE A 75 -6.160 0.547 -3.737 1.00 64.23 H new ATOM 0 HB2 PHE A 75 -6.055 0.635 -5.984 1.00 3.54 H new ATOM 0 HB3 PHE A 75 -6.050 -1.118 -5.965 1.00 3.54 H new ATOM 0 HD1 PHE A 75 -8.148 1.873 -6.433 1.00 40.12 H new ATOM 0 HD2 PHE A 75 -8.011 -2.381 -6.598 1.00 71.33 H new ATOM 0 HE1 PHE A 75 -10.275 1.855 -7.663 1.00 33.21 H new ATOM 0 HE2 PHE A 75 -10.138 -2.404 -7.827 1.00 42.25 H new ATOM 0 HZ PHE A 75 -11.276 -0.285 -8.359 1.00 53.00 H new ATOM 1246 N ASP A 76 -9.088 -0.925 -3.755 1.00 20.14 N ATOM 1247 CA ASP A 76 -10.497 -0.748 -3.425 1.00 55.42 C ATOM 1248 C ASP A 76 -10.658 -0.129 -2.040 1.00 51.11 C ATOM 1249 O ASP A 76 -11.385 0.848 -1.868 1.00 15.53 O ATOM 1250 CB ASP A 76 -11.230 -2.089 -3.486 1.00 53.35 C ATOM 1251 CG ASP A 76 -12.648 -1.998 -2.958 1.00 75.14 C ATOM 1252 OD1 ASP A 76 -12.819 -1.956 -1.722 1.00 52.12 O ATOM 1253 OD2 ASP A 76 -13.588 -1.970 -3.781 1.00 62.42 O ATOM 0 H ASP A 76 -8.816 -1.891 -3.939 1.00 20.14 H new ATOM 0 HA ASP A 76 -10.934 -0.070 -4.159 1.00 55.42 H new ATOM 0 HB2 ASP A 76 -11.251 -2.442 -4.517 1.00 53.35 H new ATOM 0 HB3 ASP A 76 -10.677 -2.829 -2.908 1.00 53.35 H new ATOM 1258 N GLU A 77 -9.975 -0.706 -1.057 1.00 21.23 N ATOM 1259 CA GLU A 77 -10.044 -0.212 0.313 1.00 12.24 C ATOM 1260 C GLU A 77 -9.369 1.151 0.435 1.00 42.23 C ATOM 1261 O GLU A 77 -9.936 2.089 0.994 1.00 61.13 O ATOM 1262 CB GLU A 77 -9.386 -1.206 1.272 1.00 72.40 C ATOM 1263 CG GLU A 77 -10.232 -2.438 1.546 1.00 33.32 C ATOM 1264 CD GLU A 77 -11.266 -2.206 2.631 1.00 74.23 C ATOM 1265 OE1 GLU A 77 -10.884 -1.748 3.728 1.00 70.34 O ATOM 1266 OE2 GLU A 77 -12.459 -2.483 2.382 1.00 44.43 O ATOM 0 H GLU A 77 -9.368 -1.516 -1.184 1.00 21.23 H new ATOM 0 HA GLU A 77 -11.095 -0.103 0.579 1.00 12.24 H new ATOM 0 HB2 GLU A 77 -8.428 -1.519 0.857 1.00 72.40 H new ATOM 0 HB3 GLU A 77 -9.176 -0.703 2.216 1.00 72.40 H new ATOM 0 HG2 GLU A 77 -10.736 -2.740 0.628 1.00 33.32 H new ATOM 0 HG3 GLU A 77 -9.582 -3.263 1.839 1.00 33.32 H new ATOM 1273 N ASN A 78 -8.153 1.252 -0.093 1.00 31.30 N ATOM 1274 CA ASN A 78 -7.399 2.499 -0.043 1.00 50.02 C ATOM 1275 C ASN A 78 -8.230 3.659 -0.582 1.00 15.21 C ATOM 1276 O ASN A 78 -8.144 4.782 -0.084 1.00 71.13 O ATOM 1277 CB ASN A 78 -6.104 2.369 -0.847 1.00 62.42 C ATOM 1278 CG ASN A 78 -5.058 1.538 -0.129 1.00 35.53 C ATOM 1279 OD1 ASN A 78 -5.194 1.241 1.058 1.00 22.25 O ATOM 1280 ND2 ASN A 78 -4.008 1.158 -0.847 1.00 73.13 N ATOM 0 H ASN A 78 -7.669 0.485 -0.560 1.00 31.30 H new ATOM 0 HA ASN A 78 -7.153 2.704 0.999 1.00 50.02 H new ATOM 0 HB2 ASN A 78 -6.324 1.915 -1.813 1.00 62.42 H new ATOM 0 HB3 ASN A 78 -5.701 3.362 -1.045 1.00 62.42 H new ATOM 0 HD21 ASN A 78 -3.273 0.597 -0.417 1.00 73.13 H new ATOM 0 HD22 ASN A 78 -3.937 1.427 -1.828 1.00 73.13 H new ATOM 1287 N SER A 79 -9.036 3.380 -1.601 1.00 71.45 N ATOM 1288 CA SER A 79 -9.881 4.400 -2.210 1.00 52.22 C ATOM 1289 C SER A 79 -11.093 4.697 -1.332 1.00 22.11 C ATOM 1290 O SER A 79 -11.467 5.854 -1.142 1.00 51.30 O ATOM 1291 CB SER A 79 -10.341 3.950 -3.598 1.00 52.22 C ATOM 1292 OG SER A 79 -10.925 5.024 -4.315 1.00 15.02 O ATOM 0 H SER A 79 -9.122 2.455 -2.023 1.00 71.45 H new ATOM 0 HA SER A 79 -9.293 5.312 -2.308 1.00 52.22 H new ATOM 0 HB2 SER A 79 -9.492 3.555 -4.156 1.00 52.22 H new ATOM 0 HB3 SER A 79 -11.063 3.139 -3.500 1.00 52.22 H new ATOM 0 HG SER A 79 -11.209 4.711 -5.199 1.00 15.02 H new ATOM 1298 N ARG A 80 -11.702 3.643 -0.799 1.00 24.33 N ATOM 1299 CA ARG A 80 -12.872 3.789 0.059 1.00 62.14 C ATOM 1300 C ARG A 80 -12.476 4.322 1.432 1.00 0.05 C ATOM 1301 O ARG A 80 -13.333 4.661 2.248 1.00 40.11 O ATOM 1302 CB ARG A 80 -13.592 2.447 0.208 1.00 5.33 C ATOM 1303 CG ARG A 80 -13.104 1.623 1.389 1.00 53.12 C ATOM 1304 CD ARG A 80 -13.958 1.861 2.625 1.00 43.34 C ATOM 1305 NE ARG A 80 -14.214 0.626 3.360 1.00 63.55 N ATOM 1306 CZ ARG A 80 -14.887 0.577 4.504 1.00 63.12 C ATOM 1307 NH1 ARG A 80 -15.369 1.689 5.041 1.00 52.03 N ATOM 1308 NH2 ARG A 80 -15.079 -0.586 5.113 1.00 23.10 N ATOM 0 H ARG A 80 -11.405 2.678 -0.946 1.00 24.33 H new ATOM 0 HA ARG A 80 -13.547 4.506 -0.408 1.00 62.14 H new ATOM 0 HB2 ARG A 80 -14.661 2.628 0.319 1.00 5.33 H new ATOM 0 HB3 ARG A 80 -13.460 1.869 -0.707 1.00 5.33 H new ATOM 0 HG2 ARG A 80 -13.125 0.565 1.129 1.00 53.12 H new ATOM 0 HG3 ARG A 80 -12.067 1.877 1.608 1.00 53.12 H new ATOM 0 HD2 ARG A 80 -13.458 2.575 3.279 1.00 43.34 H new ATOM 0 HD3 ARG A 80 -14.906 2.310 2.329 1.00 43.34 H new ATOM 0 HE ARG A 80 -13.856 -0.248 2.974 1.00 63.55 H new ATOM 0 HH11 ARG A 80 -15.223 2.585 4.576 1.00 52.03 H new ATOM 0 HH12 ARG A 80 -15.886 1.649 5.920 1.00 52.03 H new ATOM 0 HH21 ARG A 80 -14.710 -1.444 4.703 1.00 23.10 H new ATOM 0 HH22 ARG A 80 -15.596 -0.622 5.992 1.00 23.10 H new ATOM 1322 N MET A 81 -11.172 4.392 1.681 1.00 13.31 N ATOM 1323 CA MET A 81 -10.663 4.885 2.956 1.00 73.21 C ATOM 1324 C MET A 81 -11.430 6.125 3.405 1.00 32.51 C ATOM 1325 O MET A 81 -11.996 6.846 2.584 1.00 30.30 O ATOM 1326 CB MET A 81 -9.172 5.206 2.844 1.00 2.01 C ATOM 1327 CG MET A 81 -8.272 4.005 3.084 1.00 23.23 C ATOM 1328 SD MET A 81 -8.312 3.438 4.795 1.00 22.05 S ATOM 1329 CE MET A 81 -9.108 1.845 4.606 1.00 61.22 C ATOM 0 H MET A 81 -10.449 4.114 1.017 1.00 13.31 H new ATOM 0 HA MET A 81 -10.804 4.103 3.702 1.00 73.21 H new ATOM 0 HB2 MET A 81 -8.969 5.609 1.852 1.00 2.01 H new ATOM 0 HB3 MET A 81 -8.922 5.987 3.563 1.00 2.01 H new ATOM 0 HG2 MET A 81 -8.578 3.190 2.428 1.00 23.23 H new ATOM 0 HG3 MET A 81 -7.248 4.264 2.815 1.00 23.23 H new ATOM 0 HE1 MET A 81 -9.445 1.489 5.580 1.00 61.22 H new ATOM 0 HE2 MET A 81 -9.965 1.943 3.939 1.00 61.22 H new ATOM 0 HE3 MET A 81 -8.400 1.132 4.184 1.00 61.22 H new ATOM 1339 N GLN A 82 -11.444 6.365 4.712 1.00 32.02 N ATOM 1340 CA GLN A 82 -12.143 7.517 5.269 1.00 41.30 C ATOM 1341 C GLN A 82 -11.462 8.818 4.857 1.00 42.22 C ATOM 1342 O GLN A 82 -10.330 8.811 4.372 1.00 1.53 O ATOM 1343 CB GLN A 82 -12.199 7.418 6.794 1.00 0.24 C ATOM 1344 CG GLN A 82 -12.728 6.085 7.298 1.00 14.34 C ATOM 1345 CD GLN A 82 -12.950 6.075 8.798 1.00 24.21 C ATOM 1346 OE1 GLN A 82 -12.183 6.671 9.555 1.00 41.44 O ATOM 1347 NE2 GLN A 82 -14.002 5.395 9.237 1.00 75.34 N ATOM 0 H GLN A 82 -10.980 5.778 5.405 1.00 32.02 H new ATOM 0 HA GLN A 82 -13.159 7.519 4.875 1.00 41.30 H new ATOM 0 HB2 GLN A 82 -11.199 7.579 7.197 1.00 0.24 H new ATOM 0 HB3 GLN A 82 -12.830 8.219 7.179 1.00 0.24 H new ATOM 0 HG2 GLN A 82 -13.667 5.857 6.794 1.00 14.34 H new ATOM 0 HG3 GLN A 82 -12.024 5.296 7.033 1.00 14.34 H new ATOM 0 HE21 GLN A 82 -14.612 4.916 8.575 1.00 75.34 H new ATOM 0 HE22 GLN A 82 -14.201 5.352 10.237 1.00 75.34 H new ATOM 1356 N TYR A 83 -12.158 9.932 5.052 1.00 53.31 N ATOM 1357 CA TYR A 83 -11.622 11.241 4.698 1.00 62.03 C ATOM 1358 C TYR A 83 -10.380 11.563 5.524 1.00 34.42 C ATOM 1359 O TYR A 83 -9.449 12.206 5.041 1.00 1.21 O ATOM 1360 CB TYR A 83 -12.682 12.324 4.907 1.00 61.42 C ATOM 1361 CG TYR A 83 -13.091 13.025 3.631 1.00 20.12 C ATOM 1362 CD1 TYR A 83 -12.176 13.775 2.903 1.00 22.20 C ATOM 1363 CD2 TYR A 83 -14.393 12.936 3.154 1.00 41.53 C ATOM 1364 CE1 TYR A 83 -12.546 14.418 1.738 1.00 65.34 C ATOM 1365 CE2 TYR A 83 -14.771 13.575 1.988 1.00 32.23 C ATOM 1366 CZ TYR A 83 -13.844 14.315 1.284 1.00 31.43 C ATOM 1367 OH TYR A 83 -14.216 14.952 0.123 1.00 40.30 O ATOM 0 H TYR A 83 -13.095 9.955 5.454 1.00 53.31 H new ATOM 0 HA TYR A 83 -11.340 11.217 3.645 1.00 62.03 H new ATOM 0 HB2 TYR A 83 -13.564 11.874 5.363 1.00 61.42 H new ATOM 0 HB3 TYR A 83 -12.300 13.063 5.611 1.00 61.42 H new ATOM 0 HD1 TYR A 83 -11.158 13.857 3.254 1.00 22.20 H new ATOM 0 HD2 TYR A 83 -15.122 12.358 3.703 1.00 41.53 H new ATOM 0 HE1 TYR A 83 -11.822 14.999 1.185 1.00 65.34 H new ATOM 0 HE2 TYR A 83 -15.787 13.495 1.630 1.00 32.23 H new ATOM 0 HH TYR A 83 -15.163 14.777 -0.057 1.00 40.30 H new ATOM 1377 N SER A 84 -10.375 11.109 6.774 1.00 74.15 N ATOM 1378 CA SER A 84 -9.251 11.350 7.670 1.00 42.21 C ATOM 1379 C SER A 84 -7.942 10.887 7.037 1.00 73.32 C ATOM 1380 O SER A 84 -6.983 11.651 6.940 1.00 40.10 O ATOM 1381 CB SER A 84 -9.469 10.630 9.002 1.00 72.12 C ATOM 1382 OG SER A 84 -10.839 10.633 9.365 1.00 51.14 O ATOM 0 H SER A 84 -11.137 10.572 7.188 1.00 74.15 H new ATOM 0 HA SER A 84 -9.187 12.423 7.851 1.00 42.21 H new ATOM 0 HB2 SER A 84 -9.112 9.603 8.927 1.00 72.12 H new ATOM 0 HB3 SER A 84 -8.882 11.115 9.782 1.00 72.12 H new ATOM 0 HG SER A 84 -10.952 10.165 10.219 1.00 51.14 H new ATOM 1388 N GLU A 85 -7.913 9.629 6.607 1.00 22.15 N ATOM 1389 CA GLU A 85 -6.722 9.063 5.984 1.00 32.24 C ATOM 1390 C GLU A 85 -6.500 9.657 4.596 1.00 21.34 C ATOM 1391 O GLU A 85 -5.373 9.982 4.221 1.00 63.31 O ATOM 1392 CB GLU A 85 -6.846 7.541 5.886 1.00 25.21 C ATOM 1393 CG GLU A 85 -6.115 6.947 4.694 1.00 63.32 C ATOM 1394 CD GLU A 85 -5.724 5.498 4.912 1.00 45.01 C ATOM 1395 OE1 GLU A 85 -5.897 5.000 6.044 1.00 41.02 O ATOM 1396 OE2 GLU A 85 -5.244 4.862 3.950 1.00 51.33 O ATOM 0 H GLU A 85 -8.699 8.983 6.679 1.00 22.15 H new ATOM 0 HA GLU A 85 -5.863 9.311 6.608 1.00 32.24 H new ATOM 0 HB2 GLU A 85 -6.457 7.093 6.800 1.00 25.21 H new ATOM 0 HB3 GLU A 85 -7.901 7.274 5.825 1.00 25.21 H new ATOM 0 HG2 GLU A 85 -6.749 7.019 3.811 1.00 63.32 H new ATOM 0 HG3 GLU A 85 -5.219 7.535 4.492 1.00 63.32 H new ATOM 1403 N LEU A 86 -7.582 9.795 3.838 1.00 11.05 N ATOM 1404 CA LEU A 86 -7.507 10.349 2.491 1.00 2.31 C ATOM 1405 C LEU A 86 -6.878 11.739 2.508 1.00 24.33 C ATOM 1406 O LEU A 86 -6.111 12.094 1.614 1.00 41.51 O ATOM 1407 CB LEU A 86 -8.902 10.416 1.867 1.00 1.44 C ATOM 1408 CG LEU A 86 -9.013 9.940 0.419 1.00 71.42 C ATOM 1409 CD1 LEU A 86 -7.991 10.648 -0.456 1.00 63.13 C ATOM 1410 CD2 LEU A 86 -8.832 8.431 0.339 1.00 74.34 C ATOM 0 H LEU A 86 -8.522 9.531 4.133 1.00 11.05 H new ATOM 0 HA LEU A 86 -6.878 9.693 1.890 1.00 2.31 H new ATOM 0 HB2 LEU A 86 -9.580 9.820 2.477 1.00 1.44 H new ATOM 0 HB3 LEU A 86 -9.251 11.447 1.917 1.00 1.44 H new ATOM 0 HG LEU A 86 -10.009 10.187 0.051 1.00 71.42 H new ATOM 0 HD11 LEU A 86 -8.085 10.296 -1.483 1.00 63.13 H new ATOM 0 HD12 LEU A 86 -8.167 11.723 -0.423 1.00 63.13 H new ATOM 0 HD13 LEU A 86 -6.987 10.433 -0.090 1.00 63.13 H new ATOM 0 HD21 LEU A 86 -8.914 8.109 -0.699 1.00 74.34 H new ATOM 0 HD22 LEU A 86 -7.849 8.161 0.726 1.00 74.34 H new ATOM 0 HD23 LEU A 86 -9.603 7.940 0.933 1.00 74.34 H new ATOM 1422 N MET A 87 -7.206 12.519 3.533 1.00 22.41 N ATOM 1423 CA MET A 87 -6.670 13.868 3.668 1.00 3.12 C ATOM 1424 C MET A 87 -5.309 13.846 4.357 1.00 63.03 C ATOM 1425 O MET A 87 -4.387 14.558 3.957 1.00 11.30 O ATOM 1426 CB MET A 87 -7.640 14.748 4.458 1.00 2.54 C ATOM 1427 CG MET A 87 -8.723 15.382 3.600 1.00 63.30 C ATOM 1428 SD MET A 87 -8.069 16.604 2.446 1.00 21.54 S ATOM 1429 CE MET A 87 -7.984 15.637 0.941 1.00 20.52 C ATOM 0 H MET A 87 -7.840 12.240 4.282 1.00 22.41 H new ATOM 0 HA MET A 87 -6.545 14.284 2.668 1.00 3.12 H new ATOM 0 HB2 MET A 87 -8.110 14.148 5.237 1.00 2.54 H new ATOM 0 HB3 MET A 87 -7.077 15.536 4.959 1.00 2.54 H new ATOM 0 HG2 MET A 87 -9.242 14.602 3.042 1.00 63.30 H new ATOM 0 HG3 MET A 87 -9.461 15.857 4.246 1.00 63.30 H new ATOM 0 HE1 MET A 87 -7.982 16.304 0.079 1.00 20.52 H new ATOM 0 HE2 MET A 87 -7.070 15.043 0.942 1.00 20.52 H new ATOM 0 HE3 MET A 87 -8.848 14.974 0.885 1.00 20.52 H new ATOM 1439 N THR A 88 -5.189 13.024 5.395 1.00 64.24 N ATOM 1440 CA THR A 88 -3.941 12.910 6.139 1.00 10.23 C ATOM 1441 C THR A 88 -2.804 12.440 5.239 1.00 33.33 C ATOM 1442 O THR A 88 -1.730 13.040 5.213 1.00 41.32 O ATOM 1443 CB THR A 88 -4.080 11.935 7.323 1.00 14.05 C ATOM 1444 OG1 THR A 88 -5.011 12.455 8.280 1.00 41.14 O ATOM 1445 CG2 THR A 88 -2.735 11.701 7.993 1.00 3.22 C ATOM 0 H THR A 88 -5.941 12.427 5.739 1.00 64.24 H new ATOM 0 HA THR A 88 -3.710 13.904 6.522 1.00 10.23 H new ATOM 0 HB THR A 88 -4.447 10.983 6.939 1.00 14.05 H new ATOM 0 HG1 THR A 88 -5.858 11.967 8.211 1.00 41.14 H new ATOM 0 HG21 THR A 88 -2.859 11.009 8.826 1.00 3.22 H new ATOM 0 HG22 THR A 88 -2.037 11.278 7.270 1.00 3.22 H new ATOM 0 HG23 THR A 88 -2.343 12.648 8.363 1.00 3.22 H new ATOM 1453 N LYS A 89 -3.048 11.362 4.502 1.00 65.34 N ATOM 1454 CA LYS A 89 -2.045 10.810 3.598 1.00 50.54 C ATOM 1455 C LYS A 89 -1.797 11.750 2.422 1.00 0.31 C ATOM 1456 O LYS A 89 -0.904 11.518 1.607 1.00 71.02 O ATOM 1457 CB LYS A 89 -2.491 9.440 3.083 1.00 21.11 C ATOM 1458 CG LYS A 89 -1.769 8.278 3.743 1.00 44.10 C ATOM 1459 CD LYS A 89 -1.645 8.478 5.244 1.00 14.22 C ATOM 1460 CE LYS A 89 -2.997 8.761 5.882 1.00 51.35 C ATOM 1461 NZ LYS A 89 -3.302 7.806 6.983 1.00 41.33 N ATOM 0 H LYS A 89 -3.932 10.853 4.513 1.00 65.34 H new ATOM 0 HA LYS A 89 -1.114 10.697 4.154 1.00 50.54 H new ATOM 0 HB2 LYS A 89 -3.563 9.331 3.247 1.00 21.11 H new ATOM 0 HB3 LYS A 89 -2.327 9.395 2.006 1.00 21.11 H new ATOM 0 HG2 LYS A 89 -2.308 7.352 3.542 1.00 44.10 H new ATOM 0 HG3 LYS A 89 -0.776 8.170 3.306 1.00 44.10 H new ATOM 0 HD2 LYS A 89 -1.207 7.588 5.696 1.00 14.22 H new ATOM 0 HD3 LYS A 89 -0.965 9.306 5.447 1.00 14.22 H new ATOM 0 HE2 LYS A 89 -3.009 9.779 6.271 1.00 51.35 H new ATOM 0 HE3 LYS A 89 -3.777 8.701 5.123 1.00 51.35 H new ATOM 0 HZ1 LYS A 89 -4.231 8.032 7.392 1.00 41.33 H new ATOM 0 HZ2 LYS A 89 -3.316 6.836 6.608 1.00 41.33 H new ATOM 0 HZ3 LYS A 89 -2.572 7.881 7.720 1.00 41.33 H new ATOM 1475 N TYR A 90 -2.591 12.812 2.342 1.00 51.11 N ATOM 1476 CA TYR A 90 -2.458 13.787 1.265 1.00 21.45 C ATOM 1477 C TYR A 90 -1.704 15.025 1.742 1.00 73.34 C ATOM 1478 O TYR A 90 -0.771 15.489 1.085 1.00 34.12 O ATOM 1479 CB TYR A 90 -3.837 14.187 0.738 1.00 62.41 C ATOM 1480 CG TYR A 90 -3.822 15.441 -0.106 1.00 3.33 C ATOM 1481 CD1 TYR A 90 -2.900 15.601 -1.133 1.00 24.14 C ATOM 1482 CD2 TYR A 90 -4.731 16.467 0.124 1.00 44.12 C ATOM 1483 CE1 TYR A 90 -2.882 16.746 -1.905 1.00 62.01 C ATOM 1484 CE2 TYR A 90 -4.721 17.615 -0.645 1.00 11.13 C ATOM 1485 CZ TYR A 90 -3.795 17.750 -1.658 1.00 24.05 C ATOM 1486 OH TYR A 90 -3.781 18.892 -2.426 1.00 31.52 O ATOM 0 H TYR A 90 -3.333 13.020 3.010 1.00 51.11 H new ATOM 0 HA TYR A 90 -1.889 13.325 0.458 1.00 21.45 H new ATOM 0 HB2 TYR A 90 -4.243 13.366 0.147 1.00 62.41 H new ATOM 0 HB3 TYR A 90 -4.510 14.335 1.582 1.00 62.41 H new ATOM 0 HD1 TYR A 90 -2.185 14.816 -1.331 1.00 24.14 H new ATOM 0 HD2 TYR A 90 -5.457 16.365 0.917 1.00 44.12 H new ATOM 0 HE1 TYR A 90 -2.157 16.855 -2.698 1.00 62.01 H new ATOM 0 HE2 TYR A 90 -5.435 18.403 -0.454 1.00 11.13 H new ATOM 0 HH TYR A 90 -4.489 19.499 -2.123 1.00 31.52 H new ATOM 1496 N HIS A 91 -2.116 15.555 2.889 1.00 24.11 N ATOM 1497 CA HIS A 91 -1.479 16.739 3.456 1.00 75.14 C ATOM 1498 C HIS A 91 -0.428 16.348 4.490 1.00 43.34 C ATOM 1499 O HIS A 91 0.726 16.770 4.406 1.00 71.15 O ATOM 1500 CB HIS A 91 -2.527 17.650 4.096 1.00 74.30 C ATOM 1501 CG HIS A 91 -2.640 18.990 3.436 1.00 23.35 C ATOM 1502 ND1 HIS A 91 -2.741 19.150 2.071 1.00 43.23 N ATOM 1503 CD2 HIS A 91 -2.668 20.236 3.963 1.00 12.24 C ATOM 1504 CE1 HIS A 91 -2.825 20.437 1.786 1.00 42.42 C ATOM 1505 NE2 HIS A 91 -2.784 21.118 2.917 1.00 4.01 N ATOM 0 H HIS A 91 -2.887 15.184 3.444 1.00 24.11 H new ATOM 0 HA HIS A 91 -0.985 17.278 2.648 1.00 75.14 H new ATOM 0 HB2 HIS A 91 -3.497 17.154 4.061 1.00 74.30 H new ATOM 0 HB3 HIS A 91 -2.279 17.792 5.148 1.00 74.30 H new ATOM 0 HD2 HIS A 91 -2.610 20.490 5.011 1.00 12.24 H new ATOM 0 HE1 HIS A 91 -2.912 20.861 0.796 1.00 42.42 H new ATOM 0 HE2 HIS A 91 -2.831 22.134 3.000 1.00 4.01 H new ATOM 1513 N ASP A 92 -0.834 15.542 5.464 1.00 61.32 N ATOM 1514 CA ASP A 92 0.073 15.094 6.514 1.00 4.10 C ATOM 1515 C ASP A 92 1.280 14.374 5.919 1.00 11.35 C ATOM 1516 O ASP A 92 2.321 14.246 6.566 1.00 53.52 O ATOM 1517 CB ASP A 92 -0.658 14.170 7.489 1.00 4.24 C ATOM 1518 CG ASP A 92 -0.409 14.544 8.938 1.00 62.25 C ATOM 1519 OD1 ASP A 92 -0.562 15.735 9.277 1.00 14.42 O ATOM 1520 OD2 ASP A 92 -0.060 13.645 9.731 1.00 24.40 O ATOM 0 H ASP A 92 -1.786 15.185 5.549 1.00 61.32 H new ATOM 0 HA ASP A 92 0.426 15.972 7.054 1.00 4.10 H new ATOM 0 HB2 ASP A 92 -1.728 14.206 7.286 1.00 4.24 H new ATOM 0 HB3 ASP A 92 -0.336 13.142 7.322 1.00 4.24 H new ATOM 1525 N LEU A 93 1.133 13.905 4.685 1.00 22.15 N ATOM 1526 CA LEU A 93 2.211 13.196 4.003 1.00 14.42 C ATOM 1527 C LEU A 93 3.080 14.164 3.206 1.00 15.12 C ATOM 1528 O LEU A 93 4.037 13.758 2.547 1.00 30.34 O ATOM 1529 CB LEU A 93 1.635 12.126 3.074 1.00 25.12 C ATOM 1530 CG LEU A 93 1.509 10.721 3.666 1.00 45.45 C ATOM 1531 CD1 LEU A 93 1.109 9.723 2.590 1.00 3.40 C ATOM 1532 CD2 LEU A 93 2.815 10.302 4.326 1.00 34.20 C ATOM 0 H LEU A 93 0.279 14.003 4.136 1.00 22.15 H new ATOM 0 HA LEU A 93 2.833 12.716 4.758 1.00 14.42 H new ATOM 0 HB2 LEU A 93 0.647 12.451 2.747 1.00 25.12 H new ATOM 0 HB3 LEU A 93 2.263 12.069 2.185 1.00 25.12 H new ATOM 0 HG LEU A 93 0.729 10.736 4.427 1.00 45.45 H new ATOM 0 HD11 LEU A 93 1.024 8.729 3.029 1.00 3.40 H new ATOM 0 HD12 LEU A 93 0.150 10.014 2.162 1.00 3.40 H new ATOM 0 HD13 LEU A 93 1.866 9.710 1.806 1.00 3.40 H new ATOM 0 HD21 LEU A 93 2.708 9.300 4.742 1.00 34.20 H new ATOM 0 HD22 LEU A 93 3.614 10.303 3.585 1.00 34.20 H new ATOM 0 HD23 LEU A 93 3.060 11.002 5.125 1.00 34.20 H new ATOM 1544 N LYS A 94 2.741 15.447 3.272 1.00 13.23 N ATOM 1545 CA LYS A 94 3.491 16.475 2.560 1.00 21.23 C ATOM 1546 C LYS A 94 4.983 16.160 2.564 1.00 25.31 C ATOM 1547 O LYS A 94 5.627 16.138 1.515 1.00 51.54 O ATOM 1548 CB LYS A 94 3.247 17.846 3.195 1.00 31.32 C ATOM 1549 CG LYS A 94 2.427 18.782 2.324 1.00 2.03 C ATOM 1550 CD LYS A 94 1.208 19.306 3.063 1.00 14.45 C ATOM 1551 CE LYS A 94 1.539 19.661 4.505 1.00 42.01 C ATOM 1552 NZ LYS A 94 0.663 20.747 5.025 1.00 51.25 N ATOM 0 H LYS A 94 1.951 15.800 3.812 1.00 13.23 H new ATOM 0 HA LYS A 94 3.144 16.493 1.527 1.00 21.23 H new ATOM 0 HB2 LYS A 94 2.737 17.710 4.148 1.00 31.32 H new ATOM 0 HB3 LYS A 94 4.208 18.313 3.412 1.00 31.32 H new ATOM 0 HG2 LYS A 94 3.047 19.619 2.004 1.00 2.03 H new ATOM 0 HG3 LYS A 94 2.110 18.257 1.423 1.00 2.03 H new ATOM 0 HD2 LYS A 94 0.821 20.187 2.550 1.00 14.45 H new ATOM 0 HD3 LYS A 94 0.419 18.554 3.044 1.00 14.45 H new ATOM 0 HE2 LYS A 94 1.430 18.775 5.131 1.00 42.01 H new ATOM 0 HE3 LYS A 94 2.581 19.972 4.572 1.00 42.01 H new ATOM 0 HZ1 LYS A 94 1.226 21.610 5.164 1.00 51.25 H new ATOM 0 HZ2 LYS A 94 -0.098 20.936 4.342 1.00 51.25 H new ATOM 0 HZ3 LYS A 94 0.249 20.454 5.933 1.00 51.25 H new ATOM 1566 N LYS A 95 5.529 15.914 3.751 1.00 74.24 N ATOM 1567 CA LYS A 95 6.945 15.597 3.892 1.00 72.34 C ATOM 1568 C LYS A 95 7.221 14.151 3.491 1.00 21.02 C ATOM 1569 O LYS A 95 8.196 13.866 2.796 1.00 52.20 O ATOM 1570 CB LYS A 95 7.401 15.834 5.333 1.00 34.21 C ATOM 1571 CG LYS A 95 7.139 17.245 5.829 1.00 3.43 C ATOM 1572 CD LYS A 95 8.166 18.226 5.288 1.00 71.15 C ATOM 1573 CE LYS A 95 7.653 18.942 4.047 1.00 31.53 C ATOM 1574 NZ LYS A 95 6.816 20.123 4.395 1.00 32.01 N ATOM 0 H LYS A 95 5.011 15.928 4.630 1.00 74.24 H new ATOM 0 HA LYS A 95 7.507 16.254 3.228 1.00 72.34 H new ATOM 0 HB2 LYS A 95 6.891 15.127 5.988 1.00 34.21 H new ATOM 0 HB3 LYS A 95 8.468 15.624 5.407 1.00 34.21 H new ATOM 0 HG2 LYS A 95 6.140 17.559 5.526 1.00 3.43 H new ATOM 0 HG3 LYS A 95 7.160 17.258 6.919 1.00 3.43 H new ATOM 0 HD2 LYS A 95 8.411 18.959 6.057 1.00 71.15 H new ATOM 0 HD3 LYS A 95 9.087 17.695 5.048 1.00 71.15 H new ATOM 0 HE2 LYS A 95 8.498 19.262 3.437 1.00 31.53 H new ATOM 0 HE3 LYS A 95 7.069 18.248 3.443 1.00 31.53 H new ATOM 0 HZ1 LYS A 95 6.486 20.584 3.523 1.00 32.01 H new ATOM 0 HZ2 LYS A 95 5.996 19.814 4.955 1.00 32.01 H new ATOM 0 HZ3 LYS A 95 7.381 20.797 4.950 1.00 32.01 H new ATOM 1588 N GLN A 96 6.356 13.244 3.933 1.00 24.44 N ATOM 1589 CA GLN A 96 6.508 11.828 3.620 1.00 62.24 C ATOM 1590 C GLN A 96 5.850 11.492 2.285 1.00 5.41 C ATOM 1591 O GLN A 96 5.304 10.404 2.107 1.00 44.51 O ATOM 1592 CB GLN A 96 5.901 10.970 4.731 1.00 63.41 C ATOM 1593 CG GLN A 96 6.829 10.766 5.918 1.00 71.02 C ATOM 1594 CD GLN A 96 8.036 9.915 5.576 1.00 33.51 C ATOM 1595 OE1 GLN A 96 8.997 10.393 4.974 1.00 3.31 O ATOM 1596 NE2 GLN A 96 7.992 8.644 5.959 1.00 32.14 N ATOM 0 H GLN A 96 5.543 13.464 4.509 1.00 24.44 H new ATOM 0 HA GLN A 96 7.574 11.611 3.544 1.00 62.24 H new ATOM 0 HB2 GLN A 96 4.979 11.438 5.077 1.00 63.41 H new ATOM 0 HB3 GLN A 96 5.630 9.997 4.321 1.00 63.41 H new ATOM 0 HG2 GLN A 96 7.165 11.737 6.282 1.00 71.02 H new ATOM 0 HG3 GLN A 96 6.275 10.295 6.730 1.00 71.02 H new ATOM 0 HE21 GLN A 96 7.175 8.289 6.456 1.00 32.14 H new ATOM 0 HE22 GLN A 96 8.775 8.023 5.756 1.00 32.14 H new ATOM 1605 N GLY A 97 5.906 12.436 1.350 1.00 65.55 N ATOM 1606 CA GLY A 97 5.312 12.221 0.043 1.00 32.23 C ATOM 1607 C GLY A 97 4.904 13.517 -0.629 1.00 5.25 C ATOM 1608 O GLY A 97 4.369 14.418 0.017 1.00 54.41 O ATOM 0 H GLY A 97 6.352 13.345 1.474 1.00 65.55 H new ATOM 0 HA2 GLY A 97 6.023 11.694 -0.593 1.00 32.23 H new ATOM 0 HA3 GLY A 97 4.438 11.578 0.146 1.00 32.23 H new ATOM 1612 N LYS A 98 5.160 13.614 -1.929 1.00 21.42 N ATOM 1613 CA LYS A 98 4.817 14.809 -2.690 1.00 3.11 C ATOM 1614 C LYS A 98 3.677 14.526 -3.663 1.00 44.22 C ATOM 1615 O LYS A 98 3.273 13.377 -3.842 1.00 51.04 O ATOM 1616 CB LYS A 98 6.040 15.320 -3.455 1.00 23.12 C ATOM 1617 CG LYS A 98 6.560 14.342 -4.494 1.00 74.24 C ATOM 1618 CD LYS A 98 5.886 14.549 -5.841 1.00 32.25 C ATOM 1619 CE LYS A 98 6.798 14.144 -6.988 1.00 72.25 C ATOM 1620 NZ LYS A 98 7.708 15.252 -7.391 1.00 73.33 N ATOM 0 H LYS A 98 5.604 12.878 -2.478 1.00 21.42 H new ATOM 0 HA LYS A 98 4.489 15.575 -1.987 1.00 3.11 H new ATOM 0 HB2 LYS A 98 5.784 16.258 -3.947 1.00 23.12 H new ATOM 0 HB3 LYS A 98 6.837 15.540 -2.744 1.00 23.12 H new ATOM 0 HG2 LYS A 98 7.638 14.464 -4.603 1.00 74.24 H new ATOM 0 HG3 LYS A 98 6.388 13.321 -4.153 1.00 74.24 H new ATOM 0 HD2 LYS A 98 4.966 13.965 -5.882 1.00 32.25 H new ATOM 0 HD3 LYS A 98 5.604 15.596 -5.951 1.00 32.25 H new ATOM 0 HE2 LYS A 98 7.390 13.277 -6.693 1.00 72.25 H new ATOM 0 HE3 LYS A 98 6.194 13.841 -7.843 1.00 72.25 H new ATOM 0 HZ1 LYS A 98 8.313 14.936 -8.175 1.00 73.33 H new ATOM 0 HZ2 LYS A 98 7.144 16.071 -7.697 1.00 73.33 H new ATOM 0 HZ3 LYS A 98 8.303 15.524 -6.583 1.00 73.33 H new ATOM 1634 N ILE A 99 3.165 15.580 -4.290 1.00 2.03 N ATOM 1635 CA ILE A 99 2.074 15.443 -5.246 1.00 41.45 C ATOM 1636 C ILE A 99 2.208 16.454 -6.381 1.00 21.50 C ATOM 1637 O ILE A 99 2.661 17.580 -6.175 1.00 33.35 O ATOM 1638 CB ILE A 99 0.704 15.629 -4.568 1.00 71.02 C ATOM 1639 CG1 ILE A 99 -0.416 15.582 -5.610 1.00 22.52 C ATOM 1640 CG2 ILE A 99 0.666 16.942 -3.801 1.00 41.43 C ATOM 1641 CD1 ILE A 99 -1.799 15.744 -5.018 1.00 64.13 C ATOM 0 H ILE A 99 3.488 16.538 -4.153 1.00 2.03 H new ATOM 0 HA ILE A 99 2.135 14.433 -5.652 1.00 41.45 H new ATOM 0 HB ILE A 99 0.552 14.813 -3.861 1.00 71.02 H new ATOM 0 HG12 ILE A 99 -0.250 16.369 -6.346 1.00 22.52 H new ATOM 0 HG13 ILE A 99 -0.366 14.632 -6.142 1.00 22.52 H new ATOM 0 HG21 ILE A 99 -0.309 17.059 -3.328 1.00 41.43 H new ATOM 0 HG22 ILE A 99 1.443 16.939 -3.036 1.00 41.43 H new ATOM 0 HG23 ILE A 99 0.837 17.770 -4.489 1.00 41.43 H new ATOM 0 HD11 ILE A 99 -2.543 15.701 -5.814 1.00 64.13 H new ATOM 0 HD12 ILE A 99 -1.985 14.942 -4.303 1.00 64.13 H new ATOM 0 HD13 ILE A 99 -1.867 16.706 -4.510 1.00 64.13 H new ATOM 1653 N LYS A 100 1.810 16.044 -7.581 1.00 32.14 N ATOM 1654 CA LYS A 100 1.882 16.913 -8.749 1.00 73.12 C ATOM 1655 C LYS A 100 0.515 17.046 -9.413 1.00 71.01 C ATOM 1656 O LYS A 100 -0.236 16.075 -9.509 1.00 52.32 O ATOM 1657 CB LYS A 100 2.898 16.367 -9.755 1.00 31.33 C ATOM 1658 CG LYS A 100 4.216 15.954 -9.124 1.00 23.33 C ATOM 1659 CD LYS A 100 5.309 15.796 -10.168 1.00 31.12 C ATOM 1660 CE LYS A 100 5.992 17.122 -10.465 1.00 13.21 C ATOM 1661 NZ LYS A 100 6.826 17.053 -11.696 1.00 60.24 N ATOM 0 H LYS A 100 1.434 15.115 -7.770 1.00 32.14 H new ATOM 0 HA LYS A 100 2.203 17.900 -8.417 1.00 73.12 H new ATOM 0 HB2 LYS A 100 2.465 15.508 -10.267 1.00 31.33 H new ATOM 0 HB3 LYS A 100 3.090 17.126 -10.513 1.00 31.33 H new ATOM 0 HG2 LYS A 100 4.518 16.700 -8.389 1.00 23.33 H new ATOM 0 HG3 LYS A 100 4.085 15.014 -8.588 1.00 23.33 H new ATOM 0 HD2 LYS A 100 6.048 15.076 -9.817 1.00 31.12 H new ATOM 0 HD3 LYS A 100 4.881 15.392 -11.086 1.00 31.12 H new ATOM 0 HE2 LYS A 100 5.238 17.901 -10.580 1.00 13.21 H new ATOM 0 HE3 LYS A 100 6.617 17.406 -9.618 1.00 13.21 H new ATOM 0 HZ1 LYS A 100 7.274 17.976 -11.864 1.00 60.24 H new ATOM 0 HZ2 LYS A 100 7.562 16.327 -11.577 1.00 60.24 H new ATOM 0 HZ3 LYS A 100 6.226 16.807 -12.509 1.00 60.24 H new ATOM 1675 N ASP A 101 0.200 18.253 -9.871 1.00 34.44 N ATOM 1676 CA ASP A 101 -1.076 18.512 -10.528 1.00 70.21 C ATOM 1677 C ASP A 101 -0.897 18.613 -12.040 1.00 15.43 C ATOM 1678 O ASP A 101 -0.638 19.692 -12.573 1.00 4.33 O ATOM 1679 CB ASP A 101 -1.700 19.799 -9.988 1.00 51.50 C ATOM 1680 CG ASP A 101 -3.031 20.116 -10.641 1.00 34.32 C ATOM 1681 OD1 ASP A 101 -3.709 19.170 -11.094 1.00 62.12 O ATOM 1682 OD2 ASP A 101 -3.396 21.309 -10.699 1.00 45.10 O ATOM 0 H ASP A 101 0.810 19.067 -9.799 1.00 34.44 H new ATOM 0 HA ASP A 101 -1.744 17.677 -10.314 1.00 70.21 H new ATOM 0 HB2 ASP A 101 -1.840 19.707 -8.911 1.00 51.50 H new ATOM 0 HB3 ASP A 101 -1.012 20.629 -10.151 1.00 51.50 H new ATOM 1687 N ARG A 102 -1.038 17.483 -12.724 1.00 64.03 N ATOM 1688 CA ARG A 102 -0.889 17.444 -14.174 1.00 54.51 C ATOM 1689 C ARG A 102 -2.172 17.899 -14.864 1.00 75.40 C ATOM 1690 O ARG A 102 -3.258 17.880 -14.284 1.00 12.41 O ATOM 1691 CB ARG A 102 -0.523 16.032 -14.633 1.00 73.14 C ATOM 1692 CG ARG A 102 0.958 15.715 -14.507 1.00 51.21 C ATOM 1693 CD ARG A 102 1.737 16.201 -15.720 1.00 33.34 C ATOM 1694 NE ARG A 102 3.136 15.784 -15.674 1.00 73.14 N ATOM 1695 CZ ARG A 102 4.063 16.231 -16.513 1.00 43.15 C ATOM 1696 NH1 ARG A 102 3.742 17.105 -17.458 1.00 20.15 N ATOM 1697 NH2 ARG A 102 5.315 15.805 -16.409 1.00 24.42 N ATOM 0 H ARG A 102 -1.255 16.582 -12.298 1.00 64.03 H new ATOM 0 HA ARG A 102 -0.086 18.127 -14.450 1.00 54.51 H new ATOM 0 HB2 ARG A 102 -1.092 15.310 -14.047 1.00 73.14 H new ATOM 0 HB3 ARG A 102 -0.825 15.907 -15.673 1.00 73.14 H new ATOM 0 HG2 ARG A 102 1.356 16.183 -13.606 1.00 51.21 H new ATOM 0 HG3 ARG A 102 1.093 14.639 -14.394 1.00 51.21 H new ATOM 0 HD2 ARG A 102 1.273 15.815 -16.628 1.00 33.34 H new ATOM 0 HD3 ARG A 102 1.684 17.288 -15.773 1.00 33.34 H new ATOM 0 HE ARG A 102 3.416 15.113 -14.959 1.00 73.14 H new ATOM 0 HH11 ARG A 102 2.781 17.436 -17.542 1.00 20.15 H new ATOM 0 HH12 ARG A 102 4.457 17.446 -18.101 1.00 20.15 H new ATOM 0 HH21 ARG A 102 5.567 15.133 -15.684 1.00 24.42 H new ATOM 0 HH22 ARG A 102 6.026 16.149 -17.054 1.00 24.42 H new ATOM 1711 N PRO A 103 -2.047 18.317 -16.132 1.00 64.33 N ATOM 1712 CA PRO A 103 -3.185 18.784 -16.929 1.00 34.54 C ATOM 1713 C PRO A 103 -4.141 17.652 -17.293 1.00 45.11 C ATOM 1714 O PRO A 103 -3.712 16.548 -17.628 1.00 23.20 O ATOM 1715 CB PRO A 103 -2.528 19.355 -18.187 1.00 63.43 C ATOM 1716 CG PRO A 103 -1.230 18.632 -18.298 1.00 24.14 C ATOM 1717 CD PRO A 103 -0.783 18.365 -16.887 1.00 1.33 C ATOM 0 HA PRO A 103 -3.794 19.506 -16.385 1.00 34.54 H new ATOM 0 HB2 PRO A 103 -3.149 19.191 -19.067 1.00 63.43 H new ATOM 0 HB3 PRO A 103 -2.376 20.431 -18.101 1.00 63.43 H new ATOM 0 HG2 PRO A 103 -1.348 17.701 -18.853 1.00 24.14 H new ATOM 0 HG3 PRO A 103 -0.494 19.231 -18.834 1.00 24.14 H new ATOM 0 HD2 PRO A 103 -0.233 17.427 -16.810 1.00 1.33 H new ATOM 0 HD3 PRO A 103 -0.124 19.151 -16.518 1.00 1.33 H new ATOM 1725 N VAL A 104 -5.438 17.934 -17.226 1.00 42.23 N ATOM 1726 CA VAL A 104 -6.454 16.940 -17.551 1.00 10.40 C ATOM 1727 C VAL A 104 -6.671 16.848 -19.057 1.00 52.41 C ATOM 1728 O VAL A 104 -6.754 17.865 -19.747 1.00 64.33 O ATOM 1729 CB VAL A 104 -7.796 17.266 -16.869 1.00 1.32 C ATOM 1730 CG1 VAL A 104 -8.402 18.531 -17.458 1.00 45.11 C ATOM 1731 CG2 VAL A 104 -8.757 16.095 -16.998 1.00 74.53 C ATOM 0 H VAL A 104 -5.810 18.843 -16.950 1.00 42.23 H new ATOM 0 HA VAL A 104 -6.090 15.982 -17.180 1.00 10.40 H new ATOM 0 HB VAL A 104 -7.612 17.440 -15.809 1.00 1.32 H new ATOM 0 HG11 VAL A 104 -9.350 18.745 -16.963 1.00 45.11 H new ATOM 0 HG12 VAL A 104 -7.718 19.366 -17.308 1.00 45.11 H new ATOM 0 HG13 VAL A 104 -8.574 18.390 -18.525 1.00 45.11 H new ATOM 0 HG21 VAL A 104 -9.700 16.343 -16.511 1.00 74.53 H new ATOM 0 HG22 VAL A 104 -8.937 15.887 -18.053 1.00 74.53 H new ATOM 0 HG23 VAL A 104 -8.324 15.215 -16.523 1.00 74.53 H new ATOM 1741 N LYS A 105 -6.764 15.623 -19.562 1.00 61.12 N ATOM 1742 CA LYS A 105 -6.974 15.396 -20.987 1.00 63.11 C ATOM 1743 C LYS A 105 -8.459 15.257 -21.303 1.00 35.30 C ATOM 1744 O LYS A 105 -9.218 14.683 -20.522 1.00 25.21 O ATOM 1745 CB LYS A 105 -6.225 14.140 -21.440 1.00 53.30 C ATOM 1746 CG LYS A 105 -5.493 14.311 -22.760 1.00 14.30 C ATOM 1747 CD LYS A 105 -4.292 15.230 -22.616 1.00 65.33 C ATOM 1748 CE LYS A 105 -3.706 15.597 -23.971 1.00 42.30 C ATOM 1749 NZ LYS A 105 -2.525 16.496 -23.840 1.00 34.44 N ATOM 0 H LYS A 105 -6.697 14.771 -19.005 1.00 61.12 H new ATOM 0 HA LYS A 105 -6.585 16.259 -21.528 1.00 63.11 H new ATOM 0 HB2 LYS A 105 -5.507 13.858 -20.670 1.00 53.30 H new ATOM 0 HB3 LYS A 105 -6.934 13.317 -21.531 1.00 53.30 H new ATOM 0 HG2 LYS A 105 -5.166 13.337 -23.124 1.00 14.30 H new ATOM 0 HG3 LYS A 105 -6.176 14.717 -23.506 1.00 14.30 H new ATOM 0 HD2 LYS A 105 -4.588 16.137 -22.088 1.00 65.33 H new ATOM 0 HD3 LYS A 105 -3.530 14.742 -22.009 1.00 65.33 H new ATOM 0 HE2 LYS A 105 -3.414 14.689 -24.498 1.00 42.30 H new ATOM 0 HE3 LYS A 105 -4.469 16.086 -24.576 1.00 42.30 H new ATOM 0 HZ1 LYS A 105 -2.155 16.723 -24.785 1.00 34.44 H new ATOM 0 HZ2 LYS A 105 -2.808 17.374 -23.359 1.00 34.44 H new ATOM 0 HZ3 LYS A 105 -1.786 16.020 -23.284 1.00 34.44 H new ATOM 1763 N GLU A 106 -8.867 15.784 -22.453 1.00 15.21 N ATOM 1764 CA GLU A 106 -10.263 15.717 -22.871 1.00 1.21 C ATOM 1765 C GLU A 106 -10.617 14.317 -23.362 1.00 61.43 C ATOM 1766 O GLU A 106 -9.867 13.706 -24.124 1.00 74.14 O ATOM 1767 CB GLU A 106 -10.538 16.741 -23.974 1.00 43.30 C ATOM 1768 CG GLU A 106 -9.857 16.413 -25.292 1.00 52.24 C ATOM 1769 CD GLU A 106 -9.964 17.541 -26.301 1.00 34.33 C ATOM 1770 OE1 GLU A 106 -11.073 18.094 -26.457 1.00 3.31 O ATOM 1771 OE2 GLU A 106 -8.939 17.869 -26.933 1.00 50.35 O ATOM 0 H GLU A 106 -8.252 16.262 -23.111 1.00 15.21 H new ATOM 0 HA GLU A 106 -10.886 15.949 -22.007 1.00 1.21 H new ATOM 0 HB2 GLU A 106 -11.614 16.807 -24.137 1.00 43.30 H new ATOM 0 HB3 GLU A 106 -10.206 17.723 -23.638 1.00 43.30 H new ATOM 0 HG2 GLU A 106 -8.805 16.193 -25.108 1.00 52.24 H new ATOM 0 HG3 GLU A 106 -10.302 15.511 -25.712 1.00 52.24 H new ATOM 1778 N VAL A 107 -11.765 13.813 -22.920 1.00 2.13 N ATOM 1779 CA VAL A 107 -12.220 12.485 -23.314 1.00 3.11 C ATOM 1780 C VAL A 107 -13.434 12.570 -24.231 1.00 53.24 C ATOM 1781 O VAL A 107 -14.313 13.411 -24.040 1.00 12.25 O ATOM 1782 CB VAL A 107 -12.577 11.627 -22.086 1.00 23.40 C ATOM 1783 CG1 VAL A 107 -13.569 10.538 -22.466 1.00 11.15 C ATOM 1784 CG2 VAL A 107 -11.321 11.025 -21.474 1.00 21.21 C ATOM 0 H VAL A 107 -12.397 14.305 -22.288 1.00 2.13 H new ATOM 0 HA VAL A 107 -11.396 12.014 -23.850 1.00 3.11 H new ATOM 0 HB VAL A 107 -13.046 12.268 -21.340 1.00 23.40 H new ATOM 0 HG11 VAL A 107 -13.810 9.942 -21.586 1.00 11.15 H new ATOM 0 HG12 VAL A 107 -14.479 10.995 -22.855 1.00 11.15 H new ATOM 0 HG13 VAL A 107 -13.130 9.896 -23.230 1.00 11.15 H new ATOM 0 HG21 VAL A 107 -11.592 10.422 -20.607 1.00 21.21 H new ATOM 0 HG22 VAL A 107 -10.822 10.397 -22.212 1.00 21.21 H new ATOM 0 HG23 VAL A 107 -10.648 11.825 -21.164 1.00 21.21 H new ATOM 1794 N HIS A 108 -13.478 11.693 -25.229 1.00 42.34 N ATOM 1795 CA HIS A 108 -14.586 11.668 -26.177 1.00 51.23 C ATOM 1796 C HIS A 108 -15.315 10.329 -26.126 1.00 23.31 C ATOM 1797 O HIS A 108 -14.890 9.407 -25.430 1.00 4.31 O ATOM 1798 CB HIS A 108 -14.078 11.932 -27.595 1.00 73.42 C ATOM 1799 CG HIS A 108 -15.001 12.781 -28.414 1.00 33.21 C ATOM 1800 ND1 HIS A 108 -15.593 12.342 -29.580 1.00 24.44 N ATOM 1801 CD2 HIS A 108 -15.435 14.049 -28.228 1.00 54.44 C ATOM 1802 CE1 HIS A 108 -16.349 13.304 -30.077 1.00 20.13 C ATOM 1803 NE2 HIS A 108 -16.271 14.351 -29.275 1.00 74.13 N ATOM 0 H HIS A 108 -12.759 10.990 -25.402 1.00 42.34 H new ATOM 0 HA HIS A 108 -15.288 12.454 -25.898 1.00 51.23 H new ATOM 0 HB2 HIS A 108 -13.104 12.419 -27.538 1.00 73.42 H new ATOM 0 HB3 HIS A 108 -13.929 10.979 -28.102 1.00 73.42 H new ATOM 0 HD2 HIS A 108 -15.173 14.702 -27.409 1.00 54.44 H new ATOM 0 HE1 HIS A 108 -16.932 13.245 -30.984 1.00 20.13 H new ATOM 0 HE2 HIS A 108 -16.753 15.239 -29.411 1.00 74.13 H new ATOM 1811 N GLU A 109 -16.414 10.230 -26.867 1.00 32.44 N ATOM 1812 CA GLU A 109 -17.202 9.003 -26.903 1.00 62.01 C ATOM 1813 C GLU A 109 -16.575 7.982 -27.849 1.00 14.04 C ATOM 1814 O GLU A 109 -16.423 8.239 -29.042 1.00 61.13 O ATOM 1815 CB GLU A 109 -18.637 9.305 -27.339 1.00 70.14 C ATOM 1816 CG GLU A 109 -18.728 10.290 -28.492 1.00 51.25 C ATOM 1817 CD GLU A 109 -19.700 9.842 -29.567 1.00 42.40 C ATOM 1818 OE1 GLU A 109 -19.696 8.641 -29.908 1.00 44.34 O ATOM 1819 OE2 GLU A 109 -20.465 10.694 -30.066 1.00 60.03 O ATOM 0 H GLU A 109 -16.779 10.983 -27.450 1.00 32.44 H new ATOM 0 HA GLU A 109 -17.217 8.581 -25.898 1.00 62.01 H new ATOM 0 HB2 GLU A 109 -19.123 8.374 -27.629 1.00 70.14 H new ATOM 0 HB3 GLU A 109 -19.190 9.702 -26.488 1.00 70.14 H new ATOM 0 HG2 GLU A 109 -19.038 11.263 -28.110 1.00 51.25 H new ATOM 0 HG3 GLU A 109 -17.740 10.420 -28.933 1.00 51.25 H new ATOM 1826 N GLU A 110 -16.214 6.824 -27.305 1.00 33.03 N ATOM 1827 CA GLU A 110 -15.603 5.765 -28.099 1.00 52.15 C ATOM 1828 C GLU A 110 -15.098 4.637 -27.205 1.00 65.44 C ATOM 1829 O GLU A 110 -15.404 4.589 -26.014 1.00 13.11 O ATOM 1830 CB GLU A 110 -14.450 6.325 -28.934 1.00 64.15 C ATOM 1831 CG GLU A 110 -14.650 6.167 -30.432 1.00 42.04 C ATOM 1832 CD GLU A 110 -14.048 7.311 -31.225 1.00 62.12 C ATOM 1833 OE1 GLU A 110 -13.042 7.888 -30.762 1.00 3.01 O ATOM 1834 OE2 GLU A 110 -14.582 7.629 -32.308 1.00 32.01 O ATOM 0 H GLU A 110 -16.334 6.596 -26.318 1.00 33.03 H new ATOM 0 HA GLU A 110 -16.364 5.362 -28.767 1.00 52.15 H new ATOM 0 HB2 GLU A 110 -14.325 7.383 -28.702 1.00 64.15 H new ATOM 0 HB3 GLU A 110 -13.526 5.824 -28.645 1.00 64.15 H new ATOM 0 HG2 GLU A 110 -14.201 5.229 -30.758 1.00 42.04 H new ATOM 0 HG3 GLU A 110 -15.717 6.102 -30.648 1.00 42.04 H new ATOM 1841 N TYR A 111 -14.322 3.730 -27.789 1.00 42.01 N ATOM 1842 CA TYR A 111 -13.776 2.600 -27.047 1.00 63.22 C ATOM 1843 C TYR A 111 -12.261 2.718 -26.911 1.00 43.32 C ATOM 1844 O TYR A 111 -11.508 2.050 -27.620 1.00 74.24 O ATOM 1845 CB TYR A 111 -14.135 1.285 -27.742 1.00 14.34 C ATOM 1846 CG TYR A 111 -15.621 1.096 -27.947 1.00 73.20 C ATOM 1847 CD1 TYR A 111 -16.274 1.685 -29.023 1.00 13.12 C ATOM 1848 CD2 TYR A 111 -16.372 0.329 -27.065 1.00 75.33 C ATOM 1849 CE1 TYR A 111 -17.632 1.515 -29.214 1.00 41.43 C ATOM 1850 CE2 TYR A 111 -17.730 0.152 -27.250 1.00 11.43 C ATOM 1851 CZ TYR A 111 -18.355 0.748 -28.325 1.00 73.14 C ATOM 1852 OH TYR A 111 -19.708 0.576 -28.512 1.00 22.22 O ATOM 0 H TYR A 111 -14.057 3.756 -28.774 1.00 42.01 H new ATOM 0 HA TYR A 111 -14.214 2.608 -26.049 1.00 63.22 H new ATOM 0 HB2 TYR A 111 -13.635 1.247 -28.710 1.00 14.34 H new ATOM 0 HB3 TYR A 111 -13.749 0.454 -27.151 1.00 14.34 H new ATOM 0 HD1 TYR A 111 -15.711 2.286 -29.722 1.00 13.12 H new ATOM 0 HD2 TYR A 111 -15.886 -0.137 -26.220 1.00 75.33 H new ATOM 0 HE1 TYR A 111 -18.124 1.980 -30.055 1.00 41.43 H new ATOM 0 HE2 TYR A 111 -18.299 -0.450 -26.556 1.00 11.43 H new ATOM 0 HH TYR A 111 -20.067 0.008 -27.799 1.00 22.22 H new ATOM 1862 N ASP A 112 -11.821 3.573 -25.995 1.00 2.24 N ATOM 1863 CA ASP A 112 -10.396 3.779 -25.763 1.00 1.53 C ATOM 1864 C ASP A 112 -9.998 3.304 -24.369 1.00 63.31 C ATOM 1865 O ASP A 112 -9.183 2.391 -24.222 1.00 13.40 O ATOM 1866 CB ASP A 112 -10.038 5.257 -25.932 1.00 75.13 C ATOM 1867 CG ASP A 112 -11.132 6.179 -25.429 1.00 21.41 C ATOM 1868 OD1 ASP A 112 -12.170 6.296 -26.113 1.00 21.11 O ATOM 1869 OD2 ASP A 112 -10.949 6.783 -24.351 1.00 52.34 O ATOM 0 H ASP A 112 -12.431 4.135 -25.401 1.00 2.24 H new ATOM 0 HA ASP A 112 -9.845 3.193 -26.499 1.00 1.53 H new ATOM 0 HB2 ASP A 112 -9.114 5.468 -25.394 1.00 75.13 H new ATOM 0 HB3 ASP A 112 -9.848 5.464 -26.985 1.00 75.13 H new ATOM 1874 N LEU A 113 -10.576 3.928 -23.349 1.00 21.11 N ATOM 1875 CA LEU A 113 -10.281 3.569 -21.966 1.00 1.20 C ATOM 1876 C LEU A 113 -10.620 2.106 -21.699 1.00 3.23 C ATOM 1877 O LEU A 113 -10.927 1.352 -22.621 1.00 70.45 O ATOM 1878 CB LEU A 113 -11.063 4.469 -21.007 1.00 64.02 C ATOM 1879 CG LEU A 113 -11.090 5.958 -21.356 1.00 33.51 C ATOM 1880 CD1 LEU A 113 -11.802 6.747 -20.268 1.00 41.44 C ATOM 1881 CD2 LEU A 113 -9.677 6.484 -21.562 1.00 33.52 C ATOM 0 H LEU A 113 -11.252 4.685 -23.453 1.00 21.11 H new ATOM 0 HA LEU A 113 -9.213 3.712 -21.799 1.00 1.20 H new ATOM 0 HB2 LEU A 113 -12.091 4.109 -20.959 1.00 64.02 H new ATOM 0 HB3 LEU A 113 -10.639 4.358 -20.009 1.00 64.02 H new ATOM 0 HG LEU A 113 -11.641 6.084 -22.288 1.00 33.51 H new ATOM 0 HD11 LEU A 113 -11.812 7.804 -20.533 1.00 41.44 H new ATOM 0 HD12 LEU A 113 -12.826 6.388 -20.169 1.00 41.44 H new ATOM 0 HD13 LEU A 113 -11.279 6.615 -19.321 1.00 41.44 H new ATOM 0 HD21 LEU A 113 -9.716 7.545 -21.810 1.00 33.52 H new ATOM 0 HD22 LEU A 113 -9.100 6.346 -20.647 1.00 33.52 H new ATOM 0 HD23 LEU A 113 -9.201 5.939 -22.377 1.00 33.52 H new ATOM 1893 N TRP A 114 -10.563 1.714 -20.431 1.00 74.43 N ATOM 1894 CA TRP A 114 -10.867 0.341 -20.042 1.00 64.04 C ATOM 1895 C TRP A 114 -12.308 -0.017 -20.389 1.00 24.24 C ATOM 1896 O TRP A 114 -12.580 -1.103 -20.898 1.00 75.35 O ATOM 1897 CB TRP A 114 -10.626 0.149 -18.544 1.00 71.32 C ATOM 1898 CG TRP A 114 -9.176 0.025 -18.186 1.00 61.25 C ATOM 1899 CD1 TRP A 114 -8.503 0.735 -17.234 1.00 12.05 C ATOM 1900 CD2 TRP A 114 -8.220 -0.862 -18.779 1.00 1.55 C ATOM 1901 NE1 TRP A 114 -7.187 0.344 -17.198 1.00 25.45 N ATOM 1902 CE2 TRP A 114 -6.988 -0.635 -18.135 1.00 25.11 C ATOM 1903 CE3 TRP A 114 -8.285 -1.826 -19.788 1.00 13.40 C ATOM 1904 CZ2 TRP A 114 -5.833 -1.337 -18.470 1.00 61.23 C ATOM 1905 CZ3 TRP A 114 -7.138 -2.521 -20.120 1.00 34.31 C ATOM 1906 CH2 TRP A 114 -5.926 -2.275 -19.462 1.00 62.24 C ATOM 0 H TRP A 114 -10.309 2.326 -19.656 1.00 74.43 H new ATOM 0 HA TRP A 114 -10.205 -0.323 -20.597 1.00 64.04 H new ATOM 0 HB2 TRP A 114 -11.055 0.992 -18.003 1.00 71.32 H new ATOM 0 HB3 TRP A 114 -11.153 -0.745 -18.210 1.00 71.32 H new ATOM 0 HD1 TRP A 114 -8.941 1.493 -16.602 1.00 12.05 H new ATOM 0 HE1 TRP A 114 -6.473 0.721 -16.575 1.00 25.45 H new ATOM 0 HE3 TRP A 114 -9.215 -2.024 -20.299 1.00 13.40 H new ATOM 0 HZ2 TRP A 114 -4.897 -1.148 -17.965 1.00 61.23 H new ATOM 0 HZ3 TRP A 114 -7.176 -3.267 -20.900 1.00 34.31 H new ATOM 0 HH2 TRP A 114 -5.048 -2.837 -19.743 1.00 62.24 H new ATOM 1917 N GLU A 115 -13.225 0.903 -20.108 1.00 74.23 N ATOM 1918 CA GLU A 115 -14.639 0.681 -20.390 1.00 42.55 C ATOM 1919 C GLU A 115 -15.061 -0.728 -19.984 1.00 3.41 C ATOM 1920 O GLU A 115 -15.348 -1.571 -20.834 1.00 4.30 O ATOM 1921 CB GLU A 115 -14.926 0.903 -21.877 1.00 64.41 C ATOM 1922 CG GLU A 115 -15.052 2.367 -22.261 1.00 50.24 C ATOM 1923 CD GLU A 115 -15.833 2.568 -23.545 1.00 53.23 C ATOM 1924 OE1 GLU A 115 -15.786 1.672 -24.414 1.00 51.21 O ATOM 1925 OE2 GLU A 115 -16.491 3.621 -23.682 1.00 33.43 O ATOM 0 H GLU A 115 -13.015 1.808 -19.686 1.00 74.23 H new ATOM 0 HA GLU A 115 -15.216 1.397 -19.805 1.00 42.55 H new ATOM 0 HB2 GLU A 115 -14.127 0.450 -22.464 1.00 64.41 H new ATOM 0 HB3 GLU A 115 -15.849 0.386 -22.141 1.00 64.41 H new ATOM 0 HG2 GLU A 115 -15.543 2.910 -21.453 1.00 50.24 H new ATOM 0 HG3 GLU A 115 -14.056 2.796 -22.375 1.00 50.24 H new ATOM 1932 N ASP A 116 -15.095 -0.975 -18.679 1.00 52.12 N ATOM 1933 CA ASP A 116 -15.482 -2.281 -18.159 1.00 32.04 C ATOM 1934 C ASP A 116 -15.467 -2.284 -16.633 1.00 74.12 C ATOM 1935 O ASP A 116 -16.488 -2.496 -15.979 1.00 33.05 O ATOM 1936 CB ASP A 116 -14.544 -3.365 -18.692 1.00 52.23 C ATOM 1937 CG ASP A 116 -15.196 -4.220 -19.761 1.00 51.54 C ATOM 1938 OD1 ASP A 116 -16.379 -4.583 -19.591 1.00 62.43 O ATOM 1939 OD2 ASP A 116 -14.524 -4.524 -20.769 1.00 1.13 O ATOM 0 H ASP A 116 -14.859 -0.288 -17.962 1.00 52.12 H new ATOM 0 HA ASP A 116 -16.497 -2.492 -18.496 1.00 32.04 H new ATOM 0 HB2 ASP A 116 -13.648 -2.897 -19.101 1.00 52.23 H new ATOM 0 HB3 ASP A 116 -14.223 -4.001 -17.867 1.00 52.23 H new ATOM 1944 N PRO A 117 -14.282 -2.045 -16.052 1.00 55.31 N ATOM 1945 CA PRO A 117 -14.106 -2.015 -14.597 1.00 61.12 C ATOM 1946 C PRO A 117 -14.775 -0.804 -13.957 1.00 32.05 C ATOM 1947 O PRO A 117 -15.635 -0.946 -13.086 1.00 61.45 O ATOM 1948 CB PRO A 117 -12.587 -1.939 -14.426 1.00 23.43 C ATOM 1949 CG PRO A 117 -12.094 -1.316 -15.686 1.00 2.12 C ATOM 1950 CD PRO A 117 -13.024 -1.784 -16.771 1.00 1.13 C ATOM 0 HA PRO A 117 -14.561 -2.879 -14.113 1.00 61.12 H new ATOM 0 HB2 PRO A 117 -12.316 -1.340 -13.556 1.00 23.43 H new ATOM 0 HB3 PRO A 117 -12.155 -2.929 -14.279 1.00 23.43 H new ATOM 0 HG2 PRO A 117 -12.098 -0.229 -15.611 1.00 2.12 H new ATOM 0 HG3 PRO A 117 -11.068 -1.618 -15.895 1.00 2.12 H new ATOM 0 HD2 PRO A 117 -13.153 -1.027 -17.544 1.00 1.13 H new ATOM 0 HD3 PRO A 117 -12.649 -2.681 -17.263 1.00 1.13 H new ATOM 1958 N ILE A 118 -14.376 0.386 -14.392 1.00 52.13 N ATOM 1959 CA ILE A 118 -14.939 1.621 -13.862 1.00 13.43 C ATOM 1960 C ILE A 118 -16.278 1.942 -14.518 1.00 62.13 C ATOM 1961 O ILE A 118 -17.018 2.808 -14.052 1.00 3.21 O ATOM 1962 CB ILE A 118 -13.982 2.810 -14.067 1.00 0.21 C ATOM 1963 CG1 ILE A 118 -14.124 3.369 -15.484 1.00 60.23 C ATOM 1964 CG2 ILE A 118 -12.546 2.386 -13.801 1.00 25.45 C ATOM 1965 CD1 ILE A 118 -13.686 2.401 -16.562 1.00 14.43 C ATOM 0 H ILE A 118 -13.665 0.521 -15.110 1.00 52.13 H new ATOM 0 HA ILE A 118 -15.089 1.465 -12.794 1.00 13.43 H new ATOM 0 HB ILE A 118 -14.246 3.595 -13.359 1.00 0.21 H new ATOM 0 HG12 ILE A 118 -15.165 3.644 -15.655 1.00 60.23 H new ATOM 0 HG13 ILE A 118 -13.535 4.283 -15.566 1.00 60.23 H new ATOM 0 HG21 ILE A 118 -11.882 3.237 -13.950 1.00 25.45 H new ATOM 0 HG22 ILE A 118 -12.456 2.031 -12.775 1.00 25.45 H new ATOM 0 HG23 ILE A 118 -12.270 1.586 -14.488 1.00 25.45 H new ATOM 0 HD11 ILE A 118 -13.814 2.864 -17.541 1.00 14.43 H new ATOM 0 HD12 ILE A 118 -12.637 2.145 -16.416 1.00 14.43 H new ATOM 0 HD13 ILE A 118 -14.291 1.496 -16.506 1.00 14.43 H new ATOM 1977 N TRP A 119 -16.583 1.237 -15.601 1.00 62.44 N ATOM 1978 CA TRP A 119 -17.834 1.445 -16.322 1.00 20.25 C ATOM 1979 C TRP A 119 -19.033 1.208 -15.410 1.00 2.24 C ATOM 1980 O TRP A 119 -20.127 1.710 -15.666 1.00 44.22 O ATOM 1981 CB TRP A 119 -17.909 0.516 -17.534 1.00 61.24 C ATOM 1982 CG TRP A 119 -19.151 0.705 -18.351 1.00 71.34 C ATOM 1983 CD1 TRP A 119 -20.109 -0.233 -18.615 1.00 42.54 C ATOM 1984 CD2 TRP A 119 -19.568 1.904 -19.012 1.00 51.41 C ATOM 1985 NE1 TRP A 119 -21.096 0.312 -19.401 1.00 10.45 N ATOM 1986 CE2 TRP A 119 -20.788 1.622 -19.657 1.00 13.31 C ATOM 1987 CE3 TRP A 119 -19.031 3.190 -19.120 1.00 21.10 C ATOM 1988 CZ2 TRP A 119 -21.476 2.579 -20.399 1.00 34.23 C ATOM 1989 CZ3 TRP A 119 -19.715 4.138 -19.857 1.00 21.02 C ATOM 1990 CH2 TRP A 119 -20.927 3.829 -20.488 1.00 13.13 C ATOM 0 H TRP A 119 -15.981 0.516 -16.000 1.00 62.44 H new ATOM 0 HA TRP A 119 -17.859 2.480 -16.664 1.00 20.25 H new ATOM 0 HB2 TRP A 119 -17.037 0.685 -18.167 1.00 61.24 H new ATOM 0 HB3 TRP A 119 -17.861 -0.518 -17.194 1.00 61.24 H new ATOM 0 HD1 TRP A 119 -20.093 -1.252 -18.259 1.00 42.54 H new ATOM 0 HE1 TRP A 119 -21.924 -0.179 -19.739 1.00 10.45 H new ATOM 0 HE3 TRP A 119 -18.098 3.438 -18.636 1.00 21.10 H new ATOM 0 HZ2 TRP A 119 -22.410 2.343 -20.887 1.00 34.23 H new ATOM 0 HZ3 TRP A 119 -19.308 5.134 -19.948 1.00 21.02 H new ATOM 0 HH2 TRP A 119 -21.438 4.592 -21.056 1.00 13.13 H new ATOM 2001 N GLN A 120 -18.819 0.442 -14.345 1.00 70.52 N ATOM 2002 CA GLN A 120 -19.884 0.139 -13.396 1.00 43.00 C ATOM 2003 C GLN A 120 -19.605 0.783 -12.042 1.00 52.20 C ATOM 2004 O GLN A 120 -20.223 1.785 -11.681 1.00 41.43 O ATOM 2005 CB GLN A 120 -20.035 -1.374 -13.233 1.00 33.34 C ATOM 2006 CG GLN A 120 -21.097 -1.774 -12.220 1.00 43.42 C ATOM 2007 CD GLN A 120 -22.506 -1.560 -12.737 1.00 2.02 C ATOM 2008 OE1 GLN A 120 -22.727 -1.451 -13.943 1.00 52.22 O ATOM 2009 NE2 GLN A 120 -23.468 -1.499 -11.824 1.00 74.31 N ATOM 0 H GLN A 120 -17.919 0.020 -14.118 1.00 70.52 H new ATOM 0 HA GLN A 120 -20.814 0.549 -13.789 1.00 43.00 H new ATOM 0 HB2 GLN A 120 -20.283 -1.812 -14.200 1.00 33.34 H new ATOM 0 HB3 GLN A 120 -19.077 -1.796 -12.929 1.00 33.34 H new ATOM 0 HG2 GLN A 120 -20.966 -2.824 -11.957 1.00 43.42 H new ATOM 0 HG3 GLN A 120 -20.958 -1.197 -11.306 1.00 43.42 H new ATOM 0 HE21 GLN A 120 -23.239 -1.595 -10.835 1.00 74.31 H new ATOM 0 HE22 GLN A 120 -24.436 -1.357 -12.112 1.00 74.31 H new ATOM 2018 N TYR A 121 -18.672 0.202 -11.297 1.00 33.54 N ATOM 2019 CA TYR A 121 -18.314 0.717 -9.981 1.00 0.33 C ATOM 2020 C TYR A 121 -17.121 1.664 -10.073 1.00 13.10 C ATOM 2021 O TYR A 121 -16.631 1.959 -11.164 1.00 35.43 O ATOM 2022 CB TYR A 121 -17.992 -0.436 -9.028 1.00 43.54 C ATOM 2023 CG TYR A 121 -19.218 -1.123 -8.472 1.00 54.35 C ATOM 2024 CD1 TYR A 121 -19.837 -2.153 -9.169 1.00 33.41 C ATOM 2025 CD2 TYR A 121 -19.758 -0.742 -7.250 1.00 10.30 C ATOM 2026 CE1 TYR A 121 -20.959 -2.783 -8.665 1.00 24.40 C ATOM 2027 CE2 TYR A 121 -20.878 -1.367 -6.738 1.00 33.13 C ATOM 2028 CZ TYR A 121 -21.475 -2.387 -7.449 1.00 52.11 C ATOM 2029 OH TYR A 121 -22.591 -3.013 -6.943 1.00 53.11 O ATOM 0 H TYR A 121 -18.150 -0.626 -11.582 1.00 33.54 H new ATOM 0 HA TYR A 121 -19.167 1.273 -9.592 1.00 0.33 H new ATOM 0 HB2 TYR A 121 -17.381 -1.170 -9.553 1.00 43.54 H new ATOM 0 HB3 TYR A 121 -17.393 -0.056 -8.201 1.00 43.54 H new ATOM 0 HD1 TYR A 121 -19.435 -2.467 -10.121 1.00 33.41 H new ATOM 0 HD2 TYR A 121 -19.294 0.057 -6.691 1.00 10.30 H new ATOM 0 HE1 TYR A 121 -21.429 -3.581 -9.220 1.00 24.40 H new ATOM 0 HE2 TYR A 121 -21.284 -1.059 -5.786 1.00 33.13 H new ATOM 0 HH TYR A 121 -22.825 -2.616 -6.078 1.00 53.11 H new ATOM 2039 N ILE A 122 -16.659 2.137 -8.920 1.00 71.24 N ATOM 2040 CA ILE A 122 -15.523 3.049 -8.870 1.00 30.31 C ATOM 2041 C ILE A 122 -14.340 2.498 -9.659 1.00 73.41 C ATOM 2042 O ILE A 122 -13.906 3.094 -10.645 1.00 22.04 O ATOM 2043 CB ILE A 122 -15.079 3.315 -7.419 1.00 63.35 C ATOM 2044 CG1 ILE A 122 -14.960 1.998 -6.650 1.00 33.34 C ATOM 2045 CG2 ILE A 122 -16.058 4.252 -6.729 1.00 31.01 C ATOM 2046 CD1 ILE A 122 -14.364 2.157 -5.269 1.00 22.53 C ATOM 0 H ILE A 122 -17.054 1.904 -8.009 1.00 71.24 H new ATOM 0 HA ILE A 122 -15.851 3.987 -9.319 1.00 30.31 H new ATOM 0 HB ILE A 122 -14.100 3.794 -7.436 1.00 63.35 H new ATOM 0 HG12 ILE A 122 -15.949 1.548 -6.561 1.00 33.34 H new ATOM 0 HG13 ILE A 122 -14.345 1.305 -7.225 1.00 33.34 H new ATOM 0 HG21 ILE A 122 -15.731 4.430 -5.705 1.00 31.01 H new ATOM 0 HG22 ILE A 122 -16.097 5.199 -7.268 1.00 31.01 H new ATOM 0 HG23 ILE A 122 -17.050 3.799 -6.719 1.00 31.01 H new ATOM 0 HD11 ILE A 122 -14.310 1.183 -4.782 1.00 22.53 H new ATOM 0 HD12 ILE A 122 -13.362 2.578 -5.351 1.00 22.53 H new ATOM 0 HD13 ILE A 122 -14.990 2.824 -4.677 1.00 22.53 H new TER 2058 ILE A 122