USER MOD reduce.3.24.130724 H: found=0, std=0, add=807, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 803 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 72 HIS : no HD1:sc= -4.21! C(o=-9.7!,f=-9.7!) USER MOD Set 1.2: A 76 ASN : amide:sc= -5.51! C(o=-9.7!,f=-16!) USER MOD Set 2.1: A 17 ASN : amide:sc= -1.33 X(o=-1.3,f=-1.2) USER MOD Set 2.2: A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 LEU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= -4.25! C(o=-4.2!,f=-5.2!) USER MOD Single : A 19 LYS NZ :NH3+ 165:sc= -0.0251 (180deg=-0.444) USER MOD Single : A 25 HIS : no HD1:sc= -1.43 K(o=-1.4,f=-0.46) USER MOD Single : A 28 ASN : amide:sc= -3.9! K(o=-3.9!,f=-0.62) USER MOD Single : A 29 SER OG : rot -62:sc= 1.08 USER MOD Single : A 36 GLN : amide:sc= -2.81! K(o=-2.8!,f=-0.46) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -131:sc= 0 (180deg=-0.135) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 163:sc= -0.0262 (180deg=-0.31) USER MOD Single : A 54 ASN : amide:sc= -3.15! K(o=-3.2!,f=-1.9) USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 MET CE :methyl -174:sc= -1.46 (180deg=-1.55) USER MOD Single : A 69 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ -137:sc= -3.2! (180deg=-5.14!) USER MOD Single : A 79 THR OG1 : rot -130:sc= -0.282 USER MOD Single : A 80 ASN : amide:sc= -4.25! K(o=-4.2!,f=-2.6) USER MOD Single : A 81 GLN : amide:sc= -5.68! C(o=-5.7!,f=-4.1!) USER MOD Single : A 86 THR OG1 : rot 167:sc= 0.77 USER MOD Single : A 93 SER OG : rot 144:sc= 0.509 USER MOD Single : A 94 THR OG1 : rot -51:sc= 0.513 USER MOD Single : A 95 GLN : amide:sc= -0.996 K(o=-1,f=-0.11) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 37.356 14.376 -3.062 1.00 0.00 N ATOM 2 CA LEU A 1 37.972 15.064 -1.892 1.00 0.00 C ATOM 3 C LEU A 1 36.872 15.729 -1.061 1.00 0.00 C ATOM 4 O LEU A 1 36.773 15.522 0.132 1.00 0.00 O ATOM 5 CB LEU A 1 38.959 16.126 -2.391 1.00 0.00 C ATOM 6 CG LEU A 1 39.627 16.841 -1.204 1.00 0.00 C ATOM 7 CD1 LEU A 1 40.433 15.837 -0.362 1.00 0.00 C ATOM 8 CD2 LEU A 1 40.560 17.930 -1.744 1.00 0.00 C ATOM 0 H1 LEU A 1 38.100 13.923 -3.630 1.00 0.00 H new ATOM 0 H2 LEU A 1 36.687 13.653 -2.727 1.00 0.00 H new ATOM 0 H3 LEU A 1 36.850 15.071 -3.647 1.00 0.00 H new ATOM 0 HA LEU A 1 38.503 14.340 -1.274 1.00 0.00 H new ATOM 0 HB2 LEU A 1 39.720 15.659 -3.016 1.00 0.00 H new ATOM 0 HB3 LEU A 1 38.437 16.852 -3.014 1.00 0.00 H new ATOM 0 HG LEU A 1 38.860 17.287 -0.571 1.00 0.00 H new ATOM 0 HD11 LEU A 1 40.900 16.356 0.475 1.00 0.00 H new ATOM 0 HD12 LEU A 1 39.766 15.063 0.018 1.00 0.00 H new ATOM 0 HD13 LEU A 1 41.204 15.379 -0.981 1.00 0.00 H new ATOM 0 HD21 LEU A 1 41.040 18.444 -0.911 1.00 0.00 H new ATOM 0 HD22 LEU A 1 41.322 17.475 -2.377 1.00 0.00 H new ATOM 0 HD23 LEU A 1 39.983 18.646 -2.329 1.00 0.00 H new ATOM 20 N LYS A 2 36.045 16.524 -1.682 1.00 0.00 N ATOM 21 CA LYS A 2 34.954 17.200 -0.926 1.00 0.00 C ATOM 22 C LYS A 2 33.885 16.174 -0.549 1.00 0.00 C ATOM 23 O LYS A 2 33.990 15.007 -0.871 1.00 0.00 O ATOM 24 CB LYS A 2 34.327 18.292 -1.799 1.00 0.00 C ATOM 25 CG LYS A 2 35.393 19.326 -2.169 1.00 0.00 C ATOM 26 CD LYS A 2 34.776 20.394 -3.072 1.00 0.00 C ATOM 27 CE LYS A 2 35.838 21.434 -3.434 1.00 0.00 C ATOM 28 NZ LYS A 2 35.241 22.461 -4.333 1.00 0.00 N ATOM 0 H LYS A 2 36.078 16.735 -2.680 1.00 0.00 H new ATOM 0 HA LYS A 2 35.364 17.649 -0.021 1.00 0.00 H new ATOM 0 HB2 LYS A 2 33.903 17.852 -2.702 1.00 0.00 H new ATOM 0 HB3 LYS A 2 33.508 18.774 -1.265 1.00 0.00 H new ATOM 0 HG2 LYS A 2 35.797 19.786 -1.267 1.00 0.00 H new ATOM 0 HG3 LYS A 2 36.225 18.840 -2.679 1.00 0.00 H new ATOM 0 HD2 LYS A 2 34.379 19.935 -3.977 1.00 0.00 H new ATOM 0 HD3 LYS A 2 33.939 20.875 -2.565 1.00 0.00 H new ATOM 0 HE2 LYS A 2 36.223 21.906 -2.530 1.00 0.00 H new ATOM 0 HE3 LYS A 2 36.682 20.951 -3.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 35.963 23.168 -4.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 34.894 22.004 -5.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 34.449 22.929 -3.848 1.00 0.00 H new ATOM 42 N GLU A 3 32.855 16.596 0.130 1.00 0.00 N ATOM 43 CA GLU A 3 31.781 15.643 0.526 1.00 0.00 C ATOM 44 C GLU A 3 31.076 15.123 -0.728 1.00 0.00 C ATOM 45 O GLU A 3 30.836 15.858 -1.665 1.00 0.00 O ATOM 46 CB GLU A 3 30.768 16.357 1.423 1.00 0.00 C ATOM 47 CG GLU A 3 31.427 16.704 2.760 1.00 0.00 C ATOM 48 CD GLU A 3 32.492 17.778 2.541 1.00 0.00 C ATOM 49 OE1 GLU A 3 32.122 18.933 2.398 1.00 0.00 O ATOM 50 OE2 GLU A 3 33.662 17.430 2.518 1.00 0.00 O ATOM 0 H GLU A 3 32.710 17.561 0.428 1.00 0.00 H new ATOM 0 HA GLU A 3 32.219 14.807 1.071 1.00 0.00 H new ATOM 0 HB2 GLU A 3 30.410 17.264 0.936 1.00 0.00 H new ATOM 0 HB3 GLU A 3 29.899 15.720 1.588 1.00 0.00 H new ATOM 0 HG2 GLU A 3 30.676 17.060 3.466 1.00 0.00 H new ATOM 0 HG3 GLU A 3 31.878 15.813 3.197 1.00 0.00 H new ATOM 57 N VAL A 4 30.742 13.862 -0.753 1.00 0.00 N ATOM 58 CA VAL A 4 30.053 13.297 -1.947 1.00 0.00 C ATOM 59 C VAL A 4 28.681 13.955 -2.104 1.00 0.00 C ATOM 60 O VAL A 4 27.891 13.991 -1.182 1.00 0.00 O ATOM 61 CB VAL A 4 29.877 11.789 -1.767 1.00 0.00 C ATOM 62 CG1 VAL A 4 29.303 11.185 -3.050 1.00 0.00 C ATOM 63 CG2 VAL A 4 31.235 11.149 -1.468 1.00 0.00 C ATOM 0 H VAL A 4 30.917 13.199 0.002 1.00 0.00 H new ATOM 0 HA VAL A 4 30.652 13.490 -2.837 1.00 0.00 H new ATOM 0 HB VAL A 4 29.194 11.600 -0.938 1.00 0.00 H new ATOM 0 HG11 VAL A 4 29.178 10.110 -2.922 1.00 0.00 H new ATOM 0 HG12 VAL A 4 28.336 11.640 -3.265 1.00 0.00 H new ATOM 0 HG13 VAL A 4 29.986 11.374 -3.878 1.00 0.00 H new ATOM 0 HG21 VAL A 4 31.110 10.074 -1.340 1.00 0.00 H new ATOM 0 HG22 VAL A 4 31.917 11.339 -2.297 1.00 0.00 H new ATOM 0 HG23 VAL A 4 31.646 11.578 -0.554 1.00 0.00 H new ATOM 73 N TRP A 5 28.392 14.477 -3.264 1.00 0.00 N ATOM 74 CA TRP A 5 27.071 15.131 -3.478 1.00 0.00 C ATOM 75 C TRP A 5 25.959 14.089 -3.359 1.00 0.00 C ATOM 76 O TRP A 5 25.799 13.236 -4.209 1.00 0.00 O ATOM 77 CB TRP A 5 27.031 15.761 -4.869 1.00 0.00 C ATOM 78 CG TRP A 5 28.150 16.740 -5.005 1.00 0.00 C ATOM 79 CD1 TRP A 5 29.249 16.561 -5.775 1.00 0.00 C ATOM 80 CD2 TRP A 5 28.302 18.042 -4.370 1.00 0.00 C ATOM 81 NE1 TRP A 5 30.065 17.671 -5.653 1.00 0.00 N ATOM 82 CE2 TRP A 5 29.524 18.612 -4.798 1.00 0.00 C ATOM 83 CE3 TRP A 5 27.505 18.776 -3.474 1.00 0.00 C ATOM 84 CZ2 TRP A 5 29.941 19.868 -4.349 1.00 0.00 C ATOM 85 CZ3 TRP A 5 27.920 20.039 -3.020 1.00 0.00 C ATOM 86 CH2 TRP A 5 29.136 20.583 -3.458 1.00 0.00 C ATOM 0 H TRP A 5 29.014 14.479 -4.073 1.00 0.00 H new ATOM 0 HA TRP A 5 26.925 15.905 -2.725 1.00 0.00 H new ATOM 0 HB2 TRP A 5 27.115 14.988 -5.633 1.00 0.00 H new ATOM 0 HB3 TRP A 5 26.075 16.261 -5.026 1.00 0.00 H new ATOM 0 HD1 TRP A 5 29.455 15.694 -6.385 1.00 0.00 H new ATOM 0 HE1 TRP A 5 30.957 17.781 -6.135 1.00 0.00 H new ATOM 0 HE3 TRP A 5 26.566 18.366 -3.132 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 30.879 20.283 -4.688 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 27.300 20.593 -2.331 1.00 0.00 H new ATOM 0 HH2 TRP A 5 29.450 21.555 -3.107 1.00 0.00 H new ATOM 97 N GLU A 6 25.188 14.150 -2.308 1.00 0.00 N ATOM 98 CA GLU A 6 24.086 13.164 -2.133 1.00 0.00 C ATOM 99 C GLU A 6 23.109 13.678 -1.075 1.00 0.00 C ATOM 100 O GLU A 6 22.968 13.103 -0.013 1.00 0.00 O ATOM 101 CB GLU A 6 24.668 11.823 -1.680 1.00 0.00 C ATOM 102 CG GLU A 6 23.583 10.747 -1.748 1.00 0.00 C ATOM 103 CD GLU A 6 24.165 9.406 -1.297 1.00 0.00 C ATOM 104 OE1 GLU A 6 24.259 9.195 -0.100 1.00 0.00 O ATOM 105 OE2 GLU A 6 24.508 8.612 -2.158 1.00 0.00 O ATOM 0 H GLU A 6 25.274 14.841 -1.563 1.00 0.00 H new ATOM 0 HA GLU A 6 23.562 13.031 -3.080 1.00 0.00 H new ATOM 0 HB2 GLU A 6 25.510 11.547 -2.315 1.00 0.00 H new ATOM 0 HB3 GLU A 6 25.050 11.905 -0.663 1.00 0.00 H new ATOM 0 HG2 GLU A 6 22.742 11.023 -1.112 1.00 0.00 H new ATOM 0 HG3 GLU A 6 23.200 10.666 -2.765 1.00 0.00 H new ATOM 112 N GLU A 7 22.432 14.759 -1.351 1.00 0.00 N ATOM 113 CA GLU A 7 21.467 15.306 -0.356 1.00 0.00 C ATOM 114 C GLU A 7 20.598 16.378 -1.020 1.00 0.00 C ATOM 115 O GLU A 7 20.978 16.977 -2.007 1.00 0.00 O ATOM 116 CB GLU A 7 22.239 15.925 0.815 1.00 0.00 C ATOM 117 CG GLU A 7 21.256 16.443 1.869 1.00 0.00 C ATOM 118 CD GLU A 7 22.031 16.929 3.095 1.00 0.00 C ATOM 119 OE1 GLU A 7 23.119 16.425 3.322 1.00 0.00 O ATOM 120 OE2 GLU A 7 21.524 17.796 3.787 1.00 0.00 O ATOM 0 H GLU A 7 22.505 15.286 -2.221 1.00 0.00 H new ATOM 0 HA GLU A 7 20.830 14.502 0.012 1.00 0.00 H new ATOM 0 HB2 GLU A 7 22.903 15.183 1.258 1.00 0.00 H new ATOM 0 HB3 GLU A 7 22.867 16.741 0.458 1.00 0.00 H new ATOM 0 HG2 GLU A 7 20.660 17.257 1.457 1.00 0.00 H new ATOM 0 HG3 GLU A 7 20.562 15.652 2.154 1.00 0.00 H new ATOM 127 N LEU A 8 19.433 16.624 -0.484 1.00 0.00 N ATOM 128 CA LEU A 8 18.528 17.655 -1.075 1.00 0.00 C ATOM 129 C LEU A 8 17.695 18.290 0.045 1.00 0.00 C ATOM 130 O LEU A 8 17.031 17.605 0.799 1.00 0.00 O ATOM 131 CB LEU A 8 17.599 16.984 -2.101 1.00 0.00 C ATOM 132 CG LEU A 8 17.018 18.043 -3.071 1.00 0.00 C ATOM 133 CD1 LEU A 8 17.981 18.273 -4.252 1.00 0.00 C ATOM 134 CD2 LEU A 8 15.665 17.563 -3.630 1.00 0.00 C ATOM 0 H LEU A 8 19.066 16.153 0.343 1.00 0.00 H new ATOM 0 HA LEU A 8 19.115 18.427 -1.573 1.00 0.00 H new ATOM 0 HB2 LEU A 8 18.150 16.230 -2.663 1.00 0.00 H new ATOM 0 HB3 LEU A 8 16.788 16.469 -1.586 1.00 0.00 H new ATOM 0 HG LEU A 8 16.884 18.973 -2.518 1.00 0.00 H new ATOM 0 HD11 LEU A 8 17.559 19.020 -4.925 1.00 0.00 H new ATOM 0 HD12 LEU A 8 18.941 18.625 -3.875 1.00 0.00 H new ATOM 0 HD13 LEU A 8 18.124 17.337 -4.792 1.00 0.00 H new ATOM 0 HD21 LEU A 8 15.265 18.315 -4.311 1.00 0.00 H new ATOM 0 HD22 LEU A 8 15.805 16.625 -4.167 1.00 0.00 H new ATOM 0 HD23 LEU A 8 14.966 17.409 -2.808 1.00 0.00 H new ATOM 146 N ASP A 9 17.723 19.594 0.162 1.00 0.00 N ATOM 147 CA ASP A 9 16.931 20.278 1.230 1.00 0.00 C ATOM 148 C ASP A 9 15.619 20.786 0.634 1.00 0.00 C ATOM 149 O ASP A 9 15.417 21.974 0.474 1.00 0.00 O ATOM 150 CB ASP A 9 17.733 21.461 1.776 1.00 0.00 C ATOM 151 CG ASP A 9 19.052 20.954 2.360 1.00 0.00 C ATOM 152 OD1 ASP A 9 19.850 20.429 1.603 1.00 0.00 O ATOM 153 OD2 ASP A 9 19.241 21.100 3.557 1.00 0.00 O ATOM 0 H ASP A 9 18.263 20.217 -0.439 1.00 0.00 H new ATOM 0 HA ASP A 9 16.720 19.577 2.038 1.00 0.00 H new ATOM 0 HB2 ASP A 9 17.927 22.181 0.981 1.00 0.00 H new ATOM 0 HB3 ASP A 9 17.159 21.981 2.543 1.00 0.00 H new ATOM 158 N GLY A 10 14.725 19.896 0.302 1.00 0.00 N ATOM 159 CA GLY A 10 13.426 20.325 -0.286 1.00 0.00 C ATOM 160 C GLY A 10 12.414 19.185 -0.169 1.00 0.00 C ATOM 161 O GLY A 10 11.513 19.226 0.644 1.00 0.00 O ATOM 0 H GLY A 10 14.839 18.888 0.413 1.00 0.00 H new ATOM 0 HA2 GLY A 10 13.055 21.210 0.231 1.00 0.00 H new ATOM 0 HA3 GLY A 10 13.561 20.600 -1.332 1.00 0.00 H new ATOM 165 N LEU A 11 12.561 18.166 -0.980 1.00 0.00 N ATOM 166 CA LEU A 11 11.614 17.004 -0.934 1.00 0.00 C ATOM 167 C LEU A 11 12.415 15.697 -0.878 1.00 0.00 C ATOM 168 O LEU A 11 12.645 15.150 0.182 1.00 0.00 O ATOM 169 CB LEU A 11 10.736 17.013 -2.191 1.00 0.00 C ATOM 170 CG LEU A 11 10.025 18.366 -2.324 1.00 0.00 C ATOM 171 CD1 LEU A 11 9.375 18.455 -3.708 1.00 0.00 C ATOM 172 CD2 LEU A 11 8.941 18.507 -1.241 1.00 0.00 C ATOM 0 H LEU A 11 13.301 18.087 -1.677 1.00 0.00 H new ATOM 0 HA LEU A 11 10.982 17.082 -0.049 1.00 0.00 H new ATOM 0 HB2 LEU A 11 11.348 16.826 -3.073 1.00 0.00 H new ATOM 0 HB3 LEU A 11 10.001 16.210 -2.137 1.00 0.00 H new ATOM 0 HG LEU A 11 10.753 19.167 -2.200 1.00 0.00 H new ATOM 0 HD11 LEU A 11 8.867 19.414 -3.811 1.00 0.00 H new ATOM 0 HD12 LEU A 11 10.143 18.367 -4.477 1.00 0.00 H new ATOM 0 HD13 LEU A 11 8.652 17.648 -3.823 1.00 0.00 H new ATOM 0 HD21 LEU A 11 8.444 19.471 -1.347 1.00 0.00 H new ATOM 0 HD22 LEU A 11 8.209 17.707 -1.353 1.00 0.00 H new ATOM 0 HD23 LEU A 11 9.401 18.442 -0.255 1.00 0.00 H new ATOM 184 N ASP A 12 12.844 15.190 -2.005 1.00 0.00 N ATOM 185 CA ASP A 12 13.632 13.917 -2.005 1.00 0.00 C ATOM 186 C ASP A 12 14.517 13.885 -3.269 1.00 0.00 C ATOM 187 O ASP A 12 14.255 14.612 -4.208 1.00 0.00 O ATOM 188 CB ASP A 12 12.666 12.694 -1.988 1.00 0.00 C ATOM 189 CG ASP A 12 11.219 13.160 -2.186 1.00 0.00 C ATOM 190 OD1 ASP A 12 10.800 13.259 -3.328 1.00 0.00 O ATOM 191 OD2 ASP A 12 10.556 13.407 -1.193 1.00 0.00 O ATOM 0 H ASP A 12 12.684 15.600 -2.925 1.00 0.00 H new ATOM 0 HA ASP A 12 14.262 13.868 -1.117 1.00 0.00 H new ATOM 0 HB2 ASP A 12 12.941 11.993 -2.776 1.00 0.00 H new ATOM 0 HB3 ASP A 12 12.758 12.162 -1.041 1.00 0.00 H new ATOM 196 N PRO A 13 15.537 13.047 -3.269 1.00 0.00 N ATOM 197 CA PRO A 13 16.442 12.938 -4.431 1.00 0.00 C ATOM 198 C PRO A 13 15.642 12.543 -5.680 1.00 0.00 C ATOM 199 O PRO A 13 15.820 13.102 -6.745 1.00 0.00 O ATOM 200 CB PRO A 13 17.462 11.839 -4.041 1.00 0.00 C ATOM 201 CG PRO A 13 17.018 11.263 -2.664 1.00 0.00 C ATOM 202 CD PRO A 13 15.870 12.151 -2.138 1.00 0.00 C ATOM 0 HA PRO A 13 16.942 13.877 -4.667 1.00 0.00 H new ATOM 0 HB2 PRO A 13 17.488 11.053 -4.796 1.00 0.00 H new ATOM 0 HB3 PRO A 13 18.468 12.253 -3.978 1.00 0.00 H new ATOM 0 HG2 PRO A 13 16.686 10.230 -2.769 1.00 0.00 H new ATOM 0 HG3 PRO A 13 17.852 11.260 -1.963 1.00 0.00 H new ATOM 0 HD2 PRO A 13 15.010 11.551 -1.842 1.00 0.00 H new ATOM 0 HD3 PRO A 13 16.179 12.719 -1.261 1.00 0.00 H new ATOM 210 N ASN A 14 14.767 11.580 -5.561 1.00 0.00 N ATOM 211 CA ASN A 14 13.965 11.149 -6.742 1.00 0.00 C ATOM 212 C ASN A 14 12.771 12.104 -6.928 1.00 0.00 C ATOM 213 O ASN A 14 12.953 13.285 -7.152 1.00 0.00 O ATOM 214 CB ASN A 14 13.493 9.705 -6.525 1.00 0.00 C ATOM 215 CG ASN A 14 12.536 9.642 -5.331 1.00 0.00 C ATOM 216 OD1 ASN A 14 11.356 9.406 -5.496 1.00 0.00 O ATOM 217 ND2 ASN A 14 12.999 9.844 -4.128 1.00 0.00 N ATOM 0 H ASN A 14 14.573 11.074 -4.697 1.00 0.00 H new ATOM 0 HA ASN A 14 14.572 11.185 -7.647 1.00 0.00 H new ATOM 0 HB2 ASN A 14 12.994 9.338 -7.422 1.00 0.00 H new ATOM 0 HB3 ASN A 14 14.351 9.056 -6.349 1.00 0.00 H new ATOM 0 HD21 ASN A 14 12.370 9.804 -3.326 1.00 0.00 H new ATOM 0 HD22 ASN A 14 13.990 10.042 -3.990 1.00 0.00 H new ATOM 224 N ARG A 15 11.558 11.618 -6.842 1.00 0.00 N ATOM 225 CA ARG A 15 10.380 12.515 -7.018 1.00 0.00 C ATOM 226 C ARG A 15 9.100 11.718 -6.761 1.00 0.00 C ATOM 227 O ARG A 15 9.135 10.517 -6.575 1.00 0.00 O ATOM 228 CB ARG A 15 10.356 13.055 -8.450 1.00 0.00 C ATOM 229 CG ARG A 15 10.546 11.896 -9.440 1.00 0.00 C ATOM 230 CD ARG A 15 10.505 12.415 -10.895 1.00 0.00 C ATOM 231 NE ARG A 15 9.654 11.510 -11.735 1.00 0.00 N ATOM 232 CZ ARG A 15 9.791 10.210 -11.689 1.00 0.00 C ATOM 233 NH1 ARG A 15 10.752 9.668 -10.991 1.00 0.00 N ATOM 234 NH2 ARG A 15 8.980 9.450 -12.373 1.00 0.00 N ATOM 0 H ARG A 15 11.335 10.640 -6.658 1.00 0.00 H new ATOM 0 HA ARG A 15 10.447 13.347 -6.316 1.00 0.00 H new ATOM 0 HB2 ARG A 15 9.410 13.560 -8.643 1.00 0.00 H new ATOM 0 HB3 ARG A 15 11.146 13.794 -8.584 1.00 0.00 H new ATOM 0 HG2 ARG A 15 11.498 11.401 -9.251 1.00 0.00 H new ATOM 0 HG3 ARG A 15 9.764 11.151 -9.291 1.00 0.00 H new ATOM 0 HD2 ARG A 15 10.106 13.429 -10.918 1.00 0.00 H new ATOM 0 HD3 ARG A 15 11.515 12.461 -11.303 1.00 0.00 H new ATOM 0 HE ARG A 15 8.954 11.917 -12.355 1.00 0.00 H new ATOM 0 HH11 ARG A 15 11.404 10.259 -10.475 1.00 0.00 H new ATOM 0 HH12 ARG A 15 10.851 8.653 -10.961 1.00 0.00 H new ATOM 0 HH21 ARG A 15 8.244 9.870 -12.940 1.00 0.00 H new ATOM 0 HH22 ARG A 15 9.083 8.436 -12.341 1.00 0.00 H new ATOM 248 N PHE A 16 7.970 12.369 -6.757 1.00 0.00 N ATOM 249 CA PHE A 16 6.694 11.638 -6.522 1.00 0.00 C ATOM 250 C PHE A 16 6.539 10.557 -7.593 1.00 0.00 C ATOM 251 O PHE A 16 6.131 10.829 -8.705 1.00 0.00 O ATOM 252 CB PHE A 16 5.520 12.618 -6.607 1.00 0.00 C ATOM 253 CG PHE A 16 4.247 11.916 -6.193 1.00 0.00 C ATOM 254 CD1 PHE A 16 4.040 11.581 -4.849 1.00 0.00 C ATOM 255 CD2 PHE A 16 3.272 11.599 -7.150 1.00 0.00 C ATOM 256 CE1 PHE A 16 2.862 10.930 -4.461 1.00 0.00 C ATOM 257 CE2 PHE A 16 2.095 10.948 -6.761 1.00 0.00 C ATOM 258 CZ PHE A 16 1.889 10.616 -5.416 1.00 0.00 C ATOM 0 H PHE A 16 7.875 13.374 -6.906 1.00 0.00 H new ATOM 0 HA PHE A 16 6.706 11.179 -5.533 1.00 0.00 H new ATOM 0 HB2 PHE A 16 5.701 13.476 -5.960 1.00 0.00 H new ATOM 0 HB3 PHE A 16 5.424 12.999 -7.624 1.00 0.00 H new ATOM 0 HD1 PHE A 16 4.790 11.825 -4.111 1.00 0.00 H new ATOM 0 HD2 PHE A 16 3.429 11.857 -8.187 1.00 0.00 H new ATOM 0 HE1 PHE A 16 2.705 10.670 -3.425 1.00 0.00 H new ATOM 0 HE2 PHE A 16 1.345 10.702 -7.499 1.00 0.00 H new ATOM 0 HZ PHE A 16 0.979 10.118 -5.116 1.00 0.00 H new ATOM 268 N ASN A 17 6.873 9.332 -7.269 1.00 0.00 N ATOM 269 CA ASN A 17 6.763 8.220 -8.266 1.00 0.00 C ATOM 270 C ASN A 17 6.155 6.977 -7.591 1.00 0.00 C ATOM 271 O ASN A 17 6.883 6.075 -7.225 1.00 0.00 O ATOM 272 CB ASN A 17 8.164 7.864 -8.771 1.00 0.00 C ATOM 273 CG ASN A 17 8.052 6.922 -9.972 1.00 0.00 C ATOM 274 OD1 ASN A 17 8.832 6.001 -10.110 1.00 0.00 O ATOM 275 ND2 ASN A 17 7.109 7.115 -10.854 1.00 0.00 N ATOM 0 H ASN A 17 7.219 9.052 -6.351 1.00 0.00 H new ATOM 0 HA ASN A 17 6.129 8.538 -9.094 1.00 0.00 H new ATOM 0 HB2 ASN A 17 8.700 8.769 -9.055 1.00 0.00 H new ATOM 0 HB3 ASN A 17 8.739 7.389 -7.976 1.00 0.00 H new ATOM 0 HD21 ASN A 17 7.028 6.493 -11.658 1.00 0.00 H new ATOM 0 HD22 ASN A 17 6.454 7.888 -10.739 1.00 0.00 H new ATOM 282 N PRO A 18 4.847 6.950 -7.434 1.00 0.00 N ATOM 283 CA PRO A 18 4.177 5.801 -6.790 1.00 0.00 C ATOM 284 C PRO A 18 4.479 4.513 -7.574 1.00 0.00 C ATOM 285 O PRO A 18 4.171 3.420 -7.142 1.00 0.00 O ATOM 286 CB PRO A 18 2.671 6.156 -6.817 1.00 0.00 C ATOM 287 CG PRO A 18 2.546 7.609 -7.360 1.00 0.00 C ATOM 288 CD PRO A 18 3.941 8.035 -7.870 1.00 0.00 C ATOM 0 HA PRO A 18 4.519 5.622 -5.771 1.00 0.00 H new ATOM 0 HB2 PRO A 18 2.124 5.460 -7.453 1.00 0.00 H new ATOM 0 HB3 PRO A 18 2.241 6.081 -5.818 1.00 0.00 H new ATOM 0 HG2 PRO A 18 1.813 7.656 -8.165 1.00 0.00 H new ATOM 0 HG3 PRO A 18 2.202 8.283 -6.576 1.00 0.00 H new ATOM 0 HD2 PRO A 18 3.949 8.146 -8.954 1.00 0.00 H new ATOM 0 HD3 PRO A 18 4.241 8.995 -7.449 1.00 0.00 H new ATOM 296 N LYS A 19 5.087 4.645 -8.719 1.00 0.00 N ATOM 297 CA LYS A 19 5.430 3.455 -9.546 1.00 0.00 C ATOM 298 C LYS A 19 6.378 2.526 -8.783 1.00 0.00 C ATOM 299 O LYS A 19 6.294 1.321 -8.901 1.00 0.00 O ATOM 300 CB LYS A 19 6.126 3.923 -10.829 1.00 0.00 C ATOM 301 CG LYS A 19 6.454 2.705 -11.715 1.00 0.00 C ATOM 302 CD LYS A 19 6.561 3.138 -13.181 1.00 0.00 C ATOM 303 CE LYS A 19 7.090 1.972 -14.016 1.00 0.00 C ATOM 304 NZ LYS A 19 6.188 0.797 -13.855 1.00 0.00 N ATOM 0 H LYS A 19 5.365 5.540 -9.123 1.00 0.00 H new ATOM 0 HA LYS A 19 4.514 2.914 -9.782 1.00 0.00 H new ATOM 0 HB2 LYS A 19 5.483 4.617 -11.371 1.00 0.00 H new ATOM 0 HB3 LYS A 19 7.040 4.462 -10.582 1.00 0.00 H new ATOM 0 HG2 LYS A 19 7.391 2.251 -11.392 1.00 0.00 H new ATOM 0 HG3 LYS A 19 5.679 1.947 -11.607 1.00 0.00 H new ATOM 0 HD2 LYS A 19 5.585 3.452 -13.551 1.00 0.00 H new ATOM 0 HD3 LYS A 19 7.227 3.996 -13.271 1.00 0.00 H new ATOM 0 HE2 LYS A 19 7.147 2.259 -15.066 1.00 0.00 H new ATOM 0 HE3 LYS A 19 8.101 1.714 -13.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 6.390 0.100 -14.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 6.346 0.363 -12.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 5.198 1.107 -13.930 1.00 0.00 H new ATOM 318 N THR A 20 7.296 3.063 -8.022 1.00 0.00 N ATOM 319 CA THR A 20 8.246 2.188 -7.295 1.00 0.00 C ATOM 320 C THR A 20 7.525 1.444 -6.167 1.00 0.00 C ATOM 321 O THR A 20 7.781 0.283 -5.919 1.00 0.00 O ATOM 322 CB THR A 20 9.386 3.036 -6.728 1.00 0.00 C ATOM 323 OG1 THR A 20 10.149 3.575 -7.797 1.00 0.00 O ATOM 324 CG2 THR A 20 10.275 2.161 -5.852 1.00 0.00 C ATOM 0 H THR A 20 7.424 4.064 -7.877 1.00 0.00 H new ATOM 0 HA THR A 20 8.656 1.451 -7.985 1.00 0.00 H new ATOM 0 HB THR A 20 8.977 3.851 -6.131 1.00 0.00 H new ATOM 0 HG1 THR A 20 10.879 4.120 -7.436 1.00 0.00 H new ATOM 0 HG21 THR A 20 11.089 2.761 -5.446 1.00 0.00 H new ATOM 0 HG22 THR A 20 9.686 1.747 -5.034 1.00 0.00 H new ATOM 0 HG23 THR A 20 10.687 1.348 -6.449 1.00 0.00 H new ATOM 332 N PHE A 21 6.624 2.093 -5.484 1.00 0.00 N ATOM 333 CA PHE A 21 5.895 1.401 -4.382 1.00 0.00 C ATOM 334 C PHE A 21 5.229 0.142 -4.961 1.00 0.00 C ATOM 335 O PHE A 21 5.201 -0.904 -4.342 1.00 0.00 O ATOM 336 CB PHE A 21 4.845 2.385 -3.784 1.00 0.00 C ATOM 337 CG PHE A 21 3.489 1.725 -3.616 1.00 0.00 C ATOM 338 CD1 PHE A 21 2.637 1.601 -4.719 1.00 0.00 C ATOM 339 CD2 PHE A 21 3.092 1.240 -2.364 1.00 0.00 C ATOM 340 CE1 PHE A 21 1.387 0.993 -4.574 1.00 0.00 C ATOM 341 CE2 PHE A 21 1.839 0.631 -2.217 1.00 0.00 C ATOM 342 CZ PHE A 21 0.986 0.508 -3.321 1.00 0.00 C ATOM 0 H PHE A 21 6.361 3.066 -5.639 1.00 0.00 H new ATOM 0 HA PHE A 21 6.571 1.099 -3.582 1.00 0.00 H new ATOM 0 HB2 PHE A 21 5.195 2.748 -2.818 1.00 0.00 H new ATOM 0 HB3 PHE A 21 4.749 3.254 -4.435 1.00 0.00 H new ATOM 0 HD1 PHE A 21 2.946 1.976 -5.684 1.00 0.00 H new ATOM 0 HD2 PHE A 21 3.750 1.335 -1.513 1.00 0.00 H new ATOM 0 HE1 PHE A 21 0.731 0.897 -5.426 1.00 0.00 H new ATOM 0 HE2 PHE A 21 1.531 0.256 -1.252 1.00 0.00 H new ATOM 0 HZ PHE A 21 0.020 0.040 -3.207 1.00 0.00 H new ATOM 352 N PHE A 22 4.691 0.244 -6.142 1.00 0.00 N ATOM 353 CA PHE A 22 4.022 -0.927 -6.771 1.00 0.00 C ATOM 354 C PHE A 22 5.041 -2.042 -7.055 1.00 0.00 C ATOM 355 O PHE A 22 4.745 -3.218 -6.929 1.00 0.00 O ATOM 356 CB PHE A 22 3.374 -0.477 -8.090 1.00 0.00 C ATOM 357 CG PHE A 22 2.444 -1.559 -8.587 1.00 0.00 C ATOM 358 CD1 PHE A 22 2.944 -2.611 -9.364 1.00 0.00 C ATOM 359 CD2 PHE A 22 1.082 -1.511 -8.266 1.00 0.00 C ATOM 360 CE1 PHE A 22 2.082 -3.614 -9.822 1.00 0.00 C ATOM 361 CE2 PHE A 22 0.220 -2.513 -8.725 1.00 0.00 C ATOM 362 CZ PHE A 22 0.719 -3.564 -9.502 1.00 0.00 C ATOM 0 H PHE A 22 4.686 1.095 -6.704 1.00 0.00 H new ATOM 0 HA PHE A 22 3.264 -1.316 -6.091 1.00 0.00 H new ATOM 0 HB2 PHE A 22 2.822 0.451 -7.939 1.00 0.00 H new ATOM 0 HB3 PHE A 22 4.143 -0.273 -8.835 1.00 0.00 H new ATOM 0 HD1 PHE A 22 3.995 -2.648 -9.610 1.00 0.00 H new ATOM 0 HD2 PHE A 22 0.697 -0.701 -7.664 1.00 0.00 H new ATOM 0 HE1 PHE A 22 2.467 -4.426 -10.421 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -0.831 -2.475 -8.479 1.00 0.00 H new ATOM 0 HZ PHE A 22 0.053 -4.337 -9.855 1.00 0.00 H new ATOM 372 N ILE A 23 6.242 -1.692 -7.441 1.00 0.00 N ATOM 373 CA ILE A 23 7.256 -2.729 -7.744 1.00 0.00 C ATOM 374 C ILE A 23 7.713 -3.389 -6.446 1.00 0.00 C ATOM 375 O ILE A 23 7.551 -4.578 -6.252 1.00 0.00 O ATOM 376 CB ILE A 23 8.430 -2.053 -8.447 1.00 0.00 C ATOM 377 CG1 ILE A 23 7.950 -1.517 -9.802 1.00 0.00 C ATOM 378 CG2 ILE A 23 9.548 -3.066 -8.663 1.00 0.00 C ATOM 379 CD1 ILE A 23 9.030 -0.643 -10.439 1.00 0.00 C ATOM 0 H ILE A 23 6.558 -0.729 -7.558 1.00 0.00 H new ATOM 0 HA ILE A 23 6.838 -3.501 -8.390 1.00 0.00 H new ATOM 0 HB ILE A 23 8.807 -1.233 -7.836 1.00 0.00 H new ATOM 0 HG12 ILE A 23 7.708 -2.348 -10.464 1.00 0.00 H new ATOM 0 HG13 ILE A 23 7.036 -0.938 -9.669 1.00 0.00 H new ATOM 0 HG21 ILE A 23 10.386 -2.582 -9.165 1.00 0.00 H new ATOM 0 HG22 ILE A 23 9.878 -3.455 -7.700 1.00 0.00 H new ATOM 0 HG23 ILE A 23 9.181 -3.887 -9.279 1.00 0.00 H new ATOM 0 HD11 ILE A 23 8.676 -0.269 -11.400 1.00 0.00 H new ATOM 0 HD12 ILE A 23 9.252 0.198 -9.782 1.00 0.00 H new ATOM 0 HD13 ILE A 23 9.934 -1.233 -10.590 1.00 0.00 H new ATOM 391 N LEU A 24 8.285 -2.633 -5.552 1.00 0.00 N ATOM 392 CA LEU A 24 8.751 -3.233 -4.266 1.00 0.00 C ATOM 393 C LEU A 24 7.645 -4.143 -3.668 1.00 0.00 C ATOM 394 O LEU A 24 7.939 -5.182 -3.111 1.00 0.00 O ATOM 395 CB LEU A 24 9.113 -2.101 -3.278 1.00 0.00 C ATOM 396 CG LEU A 24 10.286 -2.514 -2.363 1.00 0.00 C ATOM 397 CD1 LEU A 24 9.977 -3.856 -1.686 1.00 0.00 C ATOM 398 CD2 LEU A 24 11.599 -2.623 -3.171 1.00 0.00 C ATOM 0 H LEU A 24 8.451 -1.632 -5.652 1.00 0.00 H new ATOM 0 HA LEU A 24 9.634 -3.845 -4.449 1.00 0.00 H new ATOM 0 HB2 LEU A 24 9.380 -1.202 -3.833 1.00 0.00 H new ATOM 0 HB3 LEU A 24 8.243 -1.853 -2.670 1.00 0.00 H new ATOM 0 HG LEU A 24 10.412 -1.747 -1.599 1.00 0.00 H new ATOM 0 HD11 LEU A 24 10.810 -4.139 -1.043 1.00 0.00 H new ATOM 0 HD12 LEU A 24 9.071 -3.761 -1.087 1.00 0.00 H new ATOM 0 HD13 LEU A 24 9.830 -4.622 -2.447 1.00 0.00 H new ATOM 0 HD21 LEU A 24 12.412 -2.915 -2.506 1.00 0.00 H new ATOM 0 HD22 LEU A 24 11.483 -3.372 -3.954 1.00 0.00 H new ATOM 0 HD23 LEU A 24 11.829 -1.658 -3.623 1.00 0.00 H new ATOM 410 N HIS A 25 6.384 -3.777 -3.781 1.00 0.00 N ATOM 411 CA HIS A 25 5.305 -4.648 -3.220 1.00 0.00 C ATOM 412 C HIS A 25 5.111 -5.870 -4.123 1.00 0.00 C ATOM 413 O HIS A 25 4.501 -6.845 -3.732 1.00 0.00 O ATOM 414 CB HIS A 25 3.981 -3.875 -3.127 1.00 0.00 C ATOM 415 CG HIS A 25 4.078 -2.829 -2.049 1.00 0.00 C ATOM 416 ND1 HIS A 25 3.081 -2.651 -1.101 1.00 0.00 N ATOM 417 CD2 HIS A 25 5.044 -1.902 -1.754 1.00 0.00 C ATOM 418 CE1 HIS A 25 3.467 -1.649 -0.291 1.00 0.00 C ATOM 419 NE2 HIS A 25 4.656 -1.158 -0.643 1.00 0.00 N ATOM 0 H HIS A 25 6.063 -2.921 -4.233 1.00 0.00 H new ATOM 0 HA HIS A 25 5.601 -4.966 -2.220 1.00 0.00 H new ATOM 0 HB2 HIS A 25 3.756 -3.405 -4.084 1.00 0.00 H new ATOM 0 HB3 HIS A 25 3.163 -4.561 -2.909 1.00 0.00 H new ATOM 0 HD2 HIS A 25 5.966 -1.769 -2.300 1.00 0.00 H new ATOM 0 HE1 HIS A 25 2.885 -1.286 0.543 1.00 0.00 H new ATOM 0 HE2 HIS A 25 5.171 -0.400 -0.195 1.00 0.00 H new ATOM 427 N ASP A 26 5.637 -5.841 -5.321 1.00 0.00 N ATOM 428 CA ASP A 26 5.484 -7.025 -6.218 1.00 0.00 C ATOM 429 C ASP A 26 6.451 -8.124 -5.758 1.00 0.00 C ATOM 430 O ASP A 26 7.604 -8.148 -6.143 1.00 0.00 O ATOM 431 CB ASP A 26 5.808 -6.633 -7.662 1.00 0.00 C ATOM 432 CG ASP A 26 4.845 -5.541 -8.128 1.00 0.00 C ATOM 433 OD1 ASP A 26 3.843 -5.339 -7.463 1.00 0.00 O ATOM 434 OD2 ASP A 26 5.125 -4.926 -9.144 1.00 0.00 O ATOM 0 H ASP A 26 6.160 -5.058 -5.713 1.00 0.00 H new ATOM 0 HA ASP A 26 4.457 -7.387 -6.172 1.00 0.00 H new ATOM 0 HB2 ASP A 26 6.836 -6.278 -7.731 1.00 0.00 H new ATOM 0 HB3 ASP A 26 5.727 -7.504 -8.312 1.00 0.00 H new ATOM 439 N ILE A 27 5.998 -9.023 -4.924 1.00 0.00 N ATOM 440 CA ILE A 27 6.886 -10.103 -4.420 1.00 0.00 C ATOM 441 C ILE A 27 7.118 -11.164 -5.502 1.00 0.00 C ATOM 442 O ILE A 27 8.244 -11.498 -5.813 1.00 0.00 O ATOM 443 CB ILE A 27 6.225 -10.737 -3.196 1.00 0.00 C ATOM 444 CG1 ILE A 27 5.836 -9.635 -2.205 1.00 0.00 C ATOM 445 CG2 ILE A 27 7.194 -11.696 -2.521 1.00 0.00 C ATOM 446 CD1 ILE A 27 5.196 -10.262 -0.962 1.00 0.00 C ATOM 0 H ILE A 27 5.042 -9.052 -4.570 1.00 0.00 H new ATOM 0 HA ILE A 27 7.855 -9.684 -4.151 1.00 0.00 H new ATOM 0 HB ILE A 27 5.337 -11.285 -3.511 1.00 0.00 H new ATOM 0 HG12 ILE A 27 6.717 -9.060 -1.921 1.00 0.00 H new ATOM 0 HG13 ILE A 27 5.139 -8.940 -2.674 1.00 0.00 H new ATOM 0 HG21 ILE A 27 6.715 -12.144 -1.650 1.00 0.00 H new ATOM 0 HG22 ILE A 27 7.477 -12.481 -3.223 1.00 0.00 H new ATOM 0 HG23 ILE A 27 8.084 -11.152 -2.206 1.00 0.00 H new ATOM 0 HD11 ILE A 27 4.920 -9.476 -0.259 1.00 0.00 H new ATOM 0 HD12 ILE A 27 4.305 -10.818 -1.253 1.00 0.00 H new ATOM 0 HD13 ILE A 27 5.907 -10.939 -0.489 1.00 0.00 H new ATOM 458 N ASN A 28 6.076 -11.705 -6.076 1.00 0.00 N ATOM 459 CA ASN A 28 6.268 -12.749 -7.131 1.00 0.00 C ATOM 460 C ASN A 28 6.448 -12.084 -8.497 1.00 0.00 C ATOM 461 O ASN A 28 6.390 -12.734 -9.523 1.00 0.00 O ATOM 462 CB ASN A 28 5.055 -13.681 -7.170 1.00 0.00 C ATOM 463 CG ASN A 28 4.779 -14.225 -5.765 1.00 0.00 C ATOM 464 OD1 ASN A 28 3.820 -14.941 -5.557 1.00 0.00 O ATOM 465 ND2 ASN A 28 5.584 -13.913 -4.783 1.00 0.00 N ATOM 0 H ASN A 28 5.106 -11.473 -5.864 1.00 0.00 H new ATOM 0 HA ASN A 28 7.160 -13.330 -6.894 1.00 0.00 H new ATOM 0 HB2 ASN A 28 4.182 -13.143 -7.540 1.00 0.00 H new ATOM 0 HB3 ASN A 28 5.239 -14.504 -7.860 1.00 0.00 H new ATOM 0 HD21 ASN A 28 5.406 -14.271 -3.844 1.00 0.00 H new ATOM 0 HD22 ASN A 28 6.390 -13.312 -4.955 1.00 0.00 H new ATOM 472 N SER A 29 6.688 -10.800 -8.517 1.00 0.00 N ATOM 473 CA SER A 29 6.898 -10.089 -9.813 1.00 0.00 C ATOM 474 C SER A 29 5.885 -10.565 -10.856 1.00 0.00 C ATOM 475 O SER A 29 6.239 -10.925 -11.962 1.00 0.00 O ATOM 476 CB SER A 29 8.315 -10.356 -10.307 1.00 0.00 C ATOM 477 OG SER A 29 8.402 -10.051 -11.694 1.00 0.00 O ATOM 0 H SER A 29 6.748 -10.210 -7.687 1.00 0.00 H new ATOM 0 HA SER A 29 6.757 -9.019 -9.660 1.00 0.00 H new ATOM 0 HB2 SER A 29 9.027 -9.751 -9.746 1.00 0.00 H new ATOM 0 HB3 SER A 29 8.580 -11.399 -10.136 1.00 0.00 H new ATOM 0 HG SER A 29 7.792 -10.631 -12.195 1.00 0.00 H new ATOM 483 N ASP A 30 4.622 -10.556 -10.521 1.00 0.00 N ATOM 484 CA ASP A 30 3.581 -10.992 -11.497 1.00 0.00 C ATOM 485 C ASP A 30 3.048 -9.754 -12.216 1.00 0.00 C ATOM 486 O ASP A 30 2.236 -9.840 -13.116 1.00 0.00 O ATOM 487 CB ASP A 30 2.436 -11.683 -10.750 1.00 0.00 C ATOM 488 CG ASP A 30 1.410 -12.205 -11.756 1.00 0.00 C ATOM 489 OD1 ASP A 30 1.807 -12.531 -12.862 1.00 0.00 O ATOM 490 OD2 ASP A 30 0.244 -12.272 -11.403 1.00 0.00 O ATOM 0 H ASP A 30 4.266 -10.265 -9.611 1.00 0.00 H new ATOM 0 HA ASP A 30 4.008 -11.690 -12.216 1.00 0.00 H new ATOM 0 HB2 ASP A 30 2.824 -12.506 -10.150 1.00 0.00 H new ATOM 0 HB3 ASP A 30 1.962 -10.983 -10.062 1.00 0.00 H new ATOM 495 N GLY A 31 3.506 -8.601 -11.813 1.00 0.00 N ATOM 496 CA GLY A 31 3.044 -7.337 -12.449 1.00 0.00 C ATOM 497 C GLY A 31 1.651 -6.978 -11.929 1.00 0.00 C ATOM 498 O GLY A 31 1.105 -5.950 -12.276 1.00 0.00 O ATOM 0 H GLY A 31 4.187 -8.480 -11.063 1.00 0.00 H new ATOM 0 HA2 GLY A 31 3.744 -6.531 -12.229 1.00 0.00 H new ATOM 0 HA3 GLY A 31 3.020 -7.451 -13.533 1.00 0.00 H new ATOM 502 N VAL A 32 1.078 -7.807 -11.083 1.00 0.00 N ATOM 503 CA VAL A 32 -0.277 -7.502 -10.517 1.00 0.00 C ATOM 504 C VAL A 32 -0.293 -7.912 -9.033 1.00 0.00 C ATOM 505 O VAL A 32 0.553 -8.668 -8.595 1.00 0.00 O ATOM 506 CB VAL A 32 -1.369 -8.271 -11.312 1.00 0.00 C ATOM 507 CG1 VAL A 32 -0.936 -8.436 -12.773 1.00 0.00 C ATOM 508 CG2 VAL A 32 -1.625 -9.660 -10.701 1.00 0.00 C ATOM 0 H VAL A 32 1.492 -8.682 -10.761 1.00 0.00 H new ATOM 0 HA VAL A 32 -0.488 -6.436 -10.600 1.00 0.00 H new ATOM 0 HB VAL A 32 -2.290 -7.691 -11.262 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -1.707 -8.976 -13.322 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -0.791 -7.454 -13.223 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -0.002 -8.996 -12.815 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -2.393 -10.175 -11.278 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -0.704 -10.242 -10.722 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -1.959 -9.548 -9.670 1.00 0.00 H new ATOM 518 N LEU A 33 -1.265 -7.460 -8.277 1.00 0.00 N ATOM 519 CA LEU A 33 -1.364 -7.870 -6.817 1.00 0.00 C ATOM 520 C LEU A 33 -2.698 -8.617 -6.625 1.00 0.00 C ATOM 521 O LEU A 33 -3.741 -8.152 -7.038 1.00 0.00 O ATOM 522 CB LEU A 33 -1.285 -6.635 -5.862 1.00 0.00 C ATOM 523 CG LEU A 33 0.127 -6.502 -5.250 1.00 0.00 C ATOM 524 CD1 LEU A 33 1.213 -6.628 -6.343 1.00 0.00 C ATOM 525 CD2 LEU A 33 0.247 -5.133 -4.557 1.00 0.00 C ATOM 0 H LEU A 33 -1.998 -6.826 -8.596 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.523 -8.515 -6.564 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.534 -5.728 -6.413 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -2.023 -6.738 -5.066 1.00 0.00 H new ATOM 0 HG LEU A 33 0.275 -7.303 -4.526 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.199 -6.531 -5.889 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.130 -7.601 -6.827 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.076 -5.841 -7.084 1.00 0.00 H new ATOM 0 HD21 LEU A 33 1.241 -5.031 -4.122 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.088 -4.340 -5.288 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.503 -5.057 -3.770 1.00 0.00 H new ATOM 537 N ASP A 34 -2.663 -9.782 -6.017 1.00 0.00 N ATOM 538 CA ASP A 34 -3.926 -10.580 -5.812 1.00 0.00 C ATOM 539 C ASP A 34 -4.336 -10.559 -4.332 1.00 0.00 C ATOM 540 O ASP A 34 -3.590 -10.142 -3.468 1.00 0.00 O ATOM 541 CB ASP A 34 -3.695 -12.032 -6.255 1.00 0.00 C ATOM 542 CG ASP A 34 -2.695 -12.703 -5.312 1.00 0.00 C ATOM 543 OD1 ASP A 34 -1.915 -11.988 -4.706 1.00 0.00 O ATOM 544 OD2 ASP A 34 -2.729 -13.920 -5.212 1.00 0.00 O ATOM 0 H ASP A 34 -1.816 -10.218 -5.653 1.00 0.00 H new ATOM 0 HA ASP A 34 -4.723 -10.135 -6.408 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -4.638 -12.579 -6.250 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -3.318 -12.055 -7.278 1.00 0.00 H new ATOM 549 N GLU A 35 -5.527 -11.013 -4.046 1.00 0.00 N ATOM 550 CA GLU A 35 -6.023 -11.035 -2.637 1.00 0.00 C ATOM 551 C GLU A 35 -4.998 -11.703 -1.720 1.00 0.00 C ATOM 552 O GLU A 35 -5.126 -11.664 -0.513 1.00 0.00 O ATOM 553 CB GLU A 35 -7.340 -11.808 -2.583 1.00 0.00 C ATOM 554 CG GLU A 35 -8.058 -11.520 -1.263 1.00 0.00 C ATOM 555 CD GLU A 35 -9.436 -12.190 -1.271 1.00 0.00 C ATOM 556 OE1 GLU A 35 -10.211 -11.896 -2.166 1.00 0.00 O ATOM 557 OE2 GLU A 35 -9.693 -12.984 -0.381 1.00 0.00 O ATOM 0 H GLU A 35 -6.186 -11.374 -4.736 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.178 -10.011 -2.297 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -7.974 -11.522 -3.422 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -7.149 -12.877 -2.678 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -7.466 -11.892 -0.427 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -8.166 -10.444 -1.123 1.00 0.00 H new ATOM 564 N GLN A 36 -3.978 -12.293 -2.265 1.00 0.00 N ATOM 565 CA GLN A 36 -2.943 -12.936 -1.401 1.00 0.00 C ATOM 566 C GLN A 36 -1.939 -11.875 -0.953 1.00 0.00 C ATOM 567 O GLN A 36 -1.477 -11.876 0.172 1.00 0.00 O ATOM 568 CB GLN A 36 -2.216 -14.031 -2.186 1.00 0.00 C ATOM 569 CG GLN A 36 -3.236 -15.035 -2.723 1.00 0.00 C ATOM 570 CD GLN A 36 -3.803 -15.867 -1.565 1.00 0.00 C ATOM 571 OE1 GLN A 36 -4.704 -16.658 -1.759 1.00 0.00 O ATOM 572 NE2 GLN A 36 -3.313 -15.721 -0.361 1.00 0.00 N ATOM 0 H GLN A 36 -3.811 -12.361 -3.269 1.00 0.00 H new ATOM 0 HA GLN A 36 -3.422 -13.383 -0.530 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -1.654 -13.591 -3.010 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -1.495 -14.537 -1.543 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -4.042 -14.510 -3.235 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -2.765 -15.689 -3.457 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -2.556 -15.057 -0.195 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -3.688 -16.271 0.412 1.00 0.00 H new ATOM 581 N GLU A 37 -1.604 -10.961 -1.820 1.00 0.00 N ATOM 582 CA GLU A 37 -0.639 -9.894 -1.441 1.00 0.00 C ATOM 583 C GLU A 37 -1.364 -8.843 -0.596 1.00 0.00 C ATOM 584 O GLU A 37 -0.780 -8.206 0.258 1.00 0.00 O ATOM 585 CB GLU A 37 -0.060 -9.247 -2.703 1.00 0.00 C ATOM 586 CG GLU A 37 0.903 -10.227 -3.375 1.00 0.00 C ATOM 587 CD GLU A 37 1.515 -9.575 -4.616 1.00 0.00 C ATOM 588 OE1 GLU A 37 2.354 -8.704 -4.450 1.00 0.00 O ATOM 589 OE2 GLU A 37 1.134 -9.956 -5.710 1.00 0.00 O ATOM 0 H GLU A 37 -1.957 -10.907 -2.775 1.00 0.00 H new ATOM 0 HA GLU A 37 0.178 -10.324 -0.862 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -0.863 -8.979 -3.390 1.00 0.00 H new ATOM 0 HB3 GLU A 37 0.461 -8.325 -2.447 1.00 0.00 H new ATOM 0 HG2 GLU A 37 1.690 -10.515 -2.678 1.00 0.00 H new ATOM 0 HG3 GLU A 37 0.374 -11.139 -3.654 1.00 0.00 H new ATOM 596 N LEU A 38 -2.642 -8.664 -0.818 1.00 0.00 N ATOM 597 CA LEU A 38 -3.404 -7.663 -0.015 1.00 0.00 C ATOM 598 C LEU A 38 -3.707 -8.275 1.359 1.00 0.00 C ATOM 599 O LEU A 38 -3.617 -7.611 2.371 1.00 0.00 O ATOM 600 CB LEU A 38 -4.736 -7.307 -0.732 1.00 0.00 C ATOM 601 CG LEU A 38 -4.564 -6.173 -1.781 1.00 0.00 C ATOM 602 CD1 LEU A 38 -3.501 -6.533 -2.830 1.00 0.00 C ATOM 603 CD2 LEU A 38 -5.900 -5.939 -2.508 1.00 0.00 C ATOM 0 H LEU A 38 -3.188 -9.166 -1.518 1.00 0.00 H new ATOM 0 HA LEU A 38 -2.815 -6.753 0.098 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -5.128 -8.197 -1.225 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -5.474 -7.002 0.010 1.00 0.00 H new ATOM 0 HG LEU A 38 -4.247 -5.275 -1.250 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -3.407 -5.718 -3.547 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -2.543 -6.694 -2.336 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -3.798 -7.443 -3.352 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -5.780 -5.144 -3.244 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -6.206 -6.856 -3.012 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -6.663 -5.651 -1.784 1.00 0.00 H new ATOM 615 N GLU A 39 -4.058 -9.532 1.409 1.00 0.00 N ATOM 616 CA GLU A 39 -4.355 -10.163 2.726 1.00 0.00 C ATOM 617 C GLU A 39 -3.062 -10.288 3.535 1.00 0.00 C ATOM 618 O GLU A 39 -3.028 -10.002 4.715 1.00 0.00 O ATOM 619 CB GLU A 39 -4.959 -11.554 2.505 1.00 0.00 C ATOM 620 CG GLU A 39 -6.423 -11.415 2.083 1.00 0.00 C ATOM 621 CD GLU A 39 -7.260 -10.947 3.276 1.00 0.00 C ATOM 622 OE1 GLU A 39 -7.628 -11.786 4.082 1.00 0.00 O ATOM 623 OE2 GLU A 39 -7.517 -9.758 3.365 1.00 0.00 O ATOM 0 H GLU A 39 -4.151 -10.146 0.600 1.00 0.00 H new ATOM 0 HA GLU A 39 -5.066 -9.544 3.272 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -4.398 -12.088 1.738 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -4.888 -12.142 3.420 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -6.509 -10.702 1.263 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -6.798 -12.370 1.715 1.00 0.00 H new ATOM 630 N ALA A 40 -2.005 -10.725 2.914 1.00 0.00 N ATOM 631 CA ALA A 40 -0.719 -10.882 3.648 1.00 0.00 C ATOM 632 C ALA A 40 -0.133 -9.511 4.009 1.00 0.00 C ATOM 633 O ALA A 40 0.601 -9.374 4.962 1.00 0.00 O ATOM 634 CB ALA A 40 0.276 -11.640 2.782 1.00 0.00 C ATOM 0 H ALA A 40 -1.975 -10.981 1.927 1.00 0.00 H new ATOM 0 HA ALA A 40 -0.910 -11.438 4.566 1.00 0.00 H new ATOM 0 HB1 ALA A 40 1.216 -11.753 3.322 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -0.126 -12.625 2.543 1.00 0.00 H new ATOM 0 HB3 ALA A 40 0.452 -11.086 1.860 1.00 0.00 H new ATOM 640 N LEU A 41 -0.420 -8.497 3.245 1.00 0.00 N ATOM 641 CA LEU A 41 0.162 -7.156 3.552 1.00 0.00 C ATOM 642 C LEU A 41 -0.555 -6.513 4.759 1.00 0.00 C ATOM 643 O LEU A 41 0.013 -5.697 5.455 1.00 0.00 O ATOM 644 CB LEU A 41 0.048 -6.266 2.297 1.00 0.00 C ATOM 645 CG LEU A 41 0.584 -4.847 2.557 1.00 0.00 C ATOM 646 CD1 LEU A 41 1.976 -4.904 3.200 1.00 0.00 C ATOM 647 CD2 LEU A 41 0.660 -4.105 1.219 1.00 0.00 C ATOM 0 H LEU A 41 -1.027 -8.534 2.426 1.00 0.00 H new ATOM 0 HA LEU A 41 1.213 -7.264 3.821 1.00 0.00 H new ATOM 0 HB2 LEU A 41 0.603 -6.720 1.477 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -0.995 -6.210 1.984 1.00 0.00 H new ATOM 0 HG LEU A 41 -0.085 -4.325 3.242 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.337 -3.891 3.376 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.917 -5.438 4.148 1.00 0.00 H new ATOM 0 HD13 LEU A 41 2.664 -5.424 2.533 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.038 -3.096 1.383 1.00 0.00 H new ATOM 0 HD22 LEU A 41 1.330 -4.638 0.545 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -0.334 -4.052 0.775 1.00 0.00 H new ATOM 659 N PHE A 42 -1.790 -6.864 5.025 1.00 0.00 N ATOM 660 CA PHE A 42 -2.496 -6.243 6.200 1.00 0.00 C ATOM 661 C PHE A 42 -2.120 -6.977 7.496 1.00 0.00 C ATOM 662 O PHE A 42 -1.948 -6.369 8.538 1.00 0.00 O ATOM 663 CB PHE A 42 -4.029 -6.294 6.023 1.00 0.00 C ATOM 664 CG PHE A 42 -4.447 -5.786 4.645 1.00 0.00 C ATOM 665 CD1 PHE A 42 -3.881 -4.615 4.098 1.00 0.00 C ATOM 666 CD2 PHE A 42 -5.407 -6.499 3.902 1.00 0.00 C ATOM 667 CE1 PHE A 42 -4.267 -4.178 2.827 1.00 0.00 C ATOM 668 CE2 PHE A 42 -5.788 -6.053 2.633 1.00 0.00 C ATOM 669 CZ PHE A 42 -5.215 -4.896 2.095 1.00 0.00 C ATOM 0 H PHE A 42 -2.336 -7.541 4.492 1.00 0.00 H new ATOM 0 HA PHE A 42 -2.181 -5.201 6.258 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -4.379 -7.318 6.157 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -4.506 -5.691 6.795 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -3.149 -4.056 4.662 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -5.851 -7.393 4.314 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -3.831 -3.282 2.410 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -6.526 -6.603 2.067 1.00 0.00 H new ATOM 0 HZ PHE A 42 -5.506 -4.557 1.112 1.00 0.00 H new ATOM 679 N THR A 43 -2.016 -8.274 7.458 1.00 0.00 N ATOM 680 CA THR A 43 -1.687 -9.029 8.702 1.00 0.00 C ATOM 681 C THR A 43 -0.219 -8.827 9.109 1.00 0.00 C ATOM 682 O THR A 43 0.089 -8.687 10.276 1.00 0.00 O ATOM 683 CB THR A 43 -1.966 -10.521 8.472 1.00 0.00 C ATOM 684 OG1 THR A 43 -3.351 -10.699 8.210 1.00 0.00 O ATOM 685 CG2 THR A 43 -1.579 -11.324 9.718 1.00 0.00 C ATOM 0 H THR A 43 -2.144 -8.845 6.623 1.00 0.00 H new ATOM 0 HA THR A 43 -2.311 -8.652 9.513 1.00 0.00 H new ATOM 0 HB THR A 43 -1.378 -10.872 7.624 1.00 0.00 H new ATOM 0 HG1 THR A 43 -3.536 -11.650 8.060 1.00 0.00 H new ATOM 0 HG21 THR A 43 -1.780 -12.381 9.546 1.00 0.00 H new ATOM 0 HG22 THR A 43 -0.518 -11.185 9.925 1.00 0.00 H new ATOM 0 HG23 THR A 43 -2.163 -10.977 10.570 1.00 0.00 H new ATOM 693 N LYS A 44 0.695 -8.840 8.176 1.00 0.00 N ATOM 694 CA LYS A 44 2.138 -8.683 8.549 1.00 0.00 C ATOM 695 C LYS A 44 2.410 -7.226 8.927 1.00 0.00 C ATOM 696 O LYS A 44 2.973 -6.942 9.967 1.00 0.00 O ATOM 697 CB LYS A 44 3.037 -9.097 7.342 1.00 0.00 C ATOM 698 CG LYS A 44 3.646 -10.525 7.497 1.00 0.00 C ATOM 699 CD LYS A 44 2.726 -11.586 6.868 1.00 0.00 C ATOM 700 CE LYS A 44 1.294 -11.441 7.395 1.00 0.00 C ATOM 701 NZ LYS A 44 0.590 -12.750 7.286 1.00 0.00 N ATOM 0 H LYS A 44 0.511 -8.951 7.179 1.00 0.00 H new ATOM 0 HA LYS A 44 2.368 -9.323 9.401 1.00 0.00 H new ATOM 0 HB2 LYS A 44 2.447 -9.057 6.426 1.00 0.00 H new ATOM 0 HB3 LYS A 44 3.845 -8.373 7.233 1.00 0.00 H new ATOM 0 HG2 LYS A 44 4.626 -10.560 7.022 1.00 0.00 H new ATOM 0 HG3 LYS A 44 3.796 -10.748 8.553 1.00 0.00 H new ATOM 0 HD2 LYS A 44 2.732 -11.483 5.783 1.00 0.00 H new ATOM 0 HD3 LYS A 44 3.103 -12.583 7.095 1.00 0.00 H new ATOM 0 HE2 LYS A 44 1.309 -11.109 8.433 1.00 0.00 H new ATOM 0 HE3 LYS A 44 0.761 -10.680 6.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -0.335 -12.610 6.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 1.160 -13.404 6.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 0.453 -13.151 8.236 1.00 0.00 H new ATOM 715 N GLU A 45 2.025 -6.301 8.101 1.00 0.00 N ATOM 716 CA GLU A 45 2.278 -4.871 8.439 1.00 0.00 C ATOM 717 C GLU A 45 1.761 -4.595 9.852 1.00 0.00 C ATOM 718 O GLU A 45 2.260 -3.739 10.550 1.00 0.00 O ATOM 719 CB GLU A 45 1.569 -3.952 7.432 1.00 0.00 C ATOM 720 CG GLU A 45 0.049 -3.967 7.654 1.00 0.00 C ATOM 721 CD GLU A 45 -0.627 -3.182 6.528 1.00 0.00 C ATOM 722 OE1 GLU A 45 -0.208 -3.333 5.392 1.00 0.00 O ATOM 723 OE2 GLU A 45 -1.552 -2.443 6.821 1.00 0.00 O ATOM 0 H GLU A 45 1.550 -6.466 7.213 1.00 0.00 H new ATOM 0 HA GLU A 45 3.349 -4.671 8.393 1.00 0.00 H new ATOM 0 HB2 GLU A 45 1.946 -2.934 7.534 1.00 0.00 H new ATOM 0 HB3 GLU A 45 1.796 -4.275 6.416 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -0.319 -4.993 7.671 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -0.195 -3.525 8.620 1.00 0.00 H new ATOM 730 N LEU A 46 0.760 -5.319 10.278 1.00 0.00 N ATOM 731 CA LEU A 46 0.213 -5.106 11.648 1.00 0.00 C ATOM 732 C LEU A 46 1.044 -5.914 12.658 1.00 0.00 C ATOM 733 O LEU A 46 1.272 -5.488 13.773 1.00 0.00 O ATOM 734 CB LEU A 46 -1.256 -5.561 11.665 1.00 0.00 C ATOM 735 CG LEU A 46 -2.058 -4.798 12.752 1.00 0.00 C ATOM 736 CD1 LEU A 46 -2.430 -3.371 12.276 1.00 0.00 C ATOM 737 CD2 LEU A 46 -3.347 -5.572 13.050 1.00 0.00 C ATOM 0 H LEU A 46 0.298 -6.049 9.735 1.00 0.00 H new ATOM 0 HA LEU A 46 0.265 -4.052 11.922 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -1.706 -5.389 10.687 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -1.307 -6.633 11.855 1.00 0.00 H new ATOM 0 HG LEU A 46 -1.439 -4.715 13.645 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -2.991 -2.861 13.059 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -1.520 -2.811 12.059 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -3.040 -3.435 11.375 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -3.920 -5.045 13.813 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -3.942 -5.652 12.140 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -3.097 -6.571 13.409 1.00 0.00 H new ATOM 749 N GLU A 47 1.505 -7.069 12.267 1.00 0.00 N ATOM 750 CA GLU A 47 2.333 -7.908 13.183 1.00 0.00 C ATOM 751 C GLU A 47 3.500 -7.088 13.744 1.00 0.00 C ATOM 752 O GLU A 47 3.911 -7.287 14.869 1.00 0.00 O ATOM 753 CB GLU A 47 2.874 -9.109 12.395 1.00 0.00 C ATOM 754 CG GLU A 47 3.515 -10.131 13.342 1.00 0.00 C ATOM 755 CD GLU A 47 4.862 -9.605 13.841 1.00 0.00 C ATOM 756 OE1 GLU A 47 5.724 -9.366 13.013 1.00 0.00 O ATOM 757 OE2 GLU A 47 5.007 -9.451 15.042 1.00 0.00 O ATOM 0 H GLU A 47 1.343 -7.473 11.344 1.00 0.00 H new ATOM 0 HA GLU A 47 1.721 -8.253 14.016 1.00 0.00 H new ATOM 0 HB2 GLU A 47 2.064 -9.580 11.837 1.00 0.00 H new ATOM 0 HB3 GLU A 47 3.609 -8.771 11.665 1.00 0.00 H new ATOM 0 HG2 GLU A 47 2.853 -10.322 14.187 1.00 0.00 H new ATOM 0 HG3 GLU A 47 3.654 -11.081 12.826 1.00 0.00 H new ATOM 764 N LYS A 48 4.044 -6.173 12.988 1.00 0.00 N ATOM 765 CA LYS A 48 5.186 -5.366 13.520 1.00 0.00 C ATOM 766 C LYS A 48 4.650 -4.222 14.394 1.00 0.00 C ATOM 767 O LYS A 48 5.348 -3.266 14.668 1.00 0.00 O ATOM 768 CB LYS A 48 6.015 -4.809 12.350 1.00 0.00 C ATOM 769 CG LYS A 48 5.350 -3.553 11.762 1.00 0.00 C ATOM 770 CD LYS A 48 5.914 -3.287 10.361 1.00 0.00 C ATOM 771 CE LYS A 48 5.287 -2.018 9.768 1.00 0.00 C ATOM 772 NZ LYS A 48 5.862 -1.771 8.416 1.00 0.00 N ATOM 0 H LYS A 48 3.754 -5.949 12.036 1.00 0.00 H new ATOM 0 HA LYS A 48 5.827 -6.001 14.132 1.00 0.00 H new ATOM 0 HB2 LYS A 48 7.021 -4.567 12.693 1.00 0.00 H new ATOM 0 HB3 LYS A 48 6.117 -5.569 11.575 1.00 0.00 H new ATOM 0 HG2 LYS A 48 4.270 -3.690 11.711 1.00 0.00 H new ATOM 0 HG3 LYS A 48 5.533 -2.695 12.409 1.00 0.00 H new ATOM 0 HD2 LYS A 48 6.997 -3.176 10.412 1.00 0.00 H new ATOM 0 HD3 LYS A 48 5.711 -4.139 9.712 1.00 0.00 H new ATOM 0 HE2 LYS A 48 4.205 -2.130 9.701 1.00 0.00 H new ATOM 0 HE3 LYS A 48 5.479 -1.165 10.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 5.439 -0.911 8.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 6.892 -1.647 8.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 5.657 -2.582 7.798 1.00 0.00 H new ATOM 786 N VAL A 49 3.413 -4.313 14.828 1.00 0.00 N ATOM 787 CA VAL A 49 2.815 -3.231 15.679 1.00 0.00 C ATOM 788 C VAL A 49 2.382 -3.802 17.034 1.00 0.00 C ATOM 789 O VAL A 49 2.838 -3.365 18.072 1.00 0.00 O ATOM 790 CB VAL A 49 1.591 -2.650 14.966 1.00 0.00 C ATOM 791 CG1 VAL A 49 0.988 -1.529 15.813 1.00 0.00 C ATOM 792 CG2 VAL A 49 2.015 -2.088 13.605 1.00 0.00 C ATOM 0 H VAL A 49 2.789 -5.094 14.628 1.00 0.00 H new ATOM 0 HA VAL A 49 3.560 -2.452 15.841 1.00 0.00 H new ATOM 0 HB VAL A 49 0.848 -3.435 14.823 1.00 0.00 H new ATOM 0 HG11 VAL A 49 0.117 -1.117 15.304 1.00 0.00 H new ATOM 0 HG12 VAL A 49 0.687 -1.927 16.782 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.729 -0.743 15.958 1.00 0.00 H new ATOM 0 HG21 VAL A 49 1.145 -1.674 13.095 1.00 0.00 H new ATOM 0 HG22 VAL A 49 2.758 -1.304 13.751 1.00 0.00 H new ATOM 0 HG23 VAL A 49 2.444 -2.886 12.999 1.00 0.00 H new ATOM 802 N TYR A 50 1.498 -4.767 17.040 1.00 0.00 N ATOM 803 CA TYR A 50 1.034 -5.346 18.338 1.00 0.00 C ATOM 804 C TYR A 50 1.999 -6.447 18.794 1.00 0.00 C ATOM 805 O TYR A 50 3.197 -6.254 18.843 1.00 0.00 O ATOM 806 CB TYR A 50 -0.370 -5.929 18.164 1.00 0.00 C ATOM 807 CG TYR A 50 -1.347 -4.808 17.888 1.00 0.00 C ATOM 808 CD1 TYR A 50 -1.616 -3.858 18.882 1.00 0.00 C ATOM 809 CD2 TYR A 50 -1.981 -4.712 16.640 1.00 0.00 C ATOM 810 CE1 TYR A 50 -2.519 -2.818 18.633 1.00 0.00 C ATOM 811 CE2 TYR A 50 -2.883 -3.671 16.392 1.00 0.00 C ATOM 812 CZ TYR A 50 -3.150 -2.724 17.387 1.00 0.00 C ATOM 813 OH TYR A 50 -4.040 -1.696 17.142 1.00 0.00 O ATOM 0 H TYR A 50 1.079 -5.178 16.206 1.00 0.00 H new ATOM 0 HA TYR A 50 1.010 -4.561 19.093 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -0.379 -6.645 17.342 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -0.665 -6.471 19.063 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -1.126 -3.928 19.842 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -1.773 -5.441 15.871 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -2.729 -2.089 19.401 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -3.373 -3.599 15.432 1.00 0.00 H new ATOM 0 HH TYR A 50 -4.388 -1.775 16.229 1.00 0.00 H new ATOM 823 N ASP A 51 1.485 -7.598 19.140 1.00 0.00 N ATOM 824 CA ASP A 51 2.369 -8.704 19.604 1.00 0.00 C ATOM 825 C ASP A 51 1.527 -9.982 19.772 1.00 0.00 C ATOM 826 O ASP A 51 1.157 -10.321 20.879 1.00 0.00 O ATOM 827 CB ASP A 51 2.979 -8.321 20.959 1.00 0.00 C ATOM 828 CG ASP A 51 1.861 -8.046 21.965 1.00 0.00 C ATOM 829 OD1 ASP A 51 0.707 -8.100 21.569 1.00 0.00 O ATOM 830 OD2 ASP A 51 2.176 -7.788 23.114 1.00 0.00 O ATOM 0 H ASP A 51 0.489 -7.819 19.121 1.00 0.00 H new ATOM 0 HA ASP A 51 3.162 -8.877 18.877 1.00 0.00 H new ATOM 0 HB2 ASP A 51 3.619 -9.126 21.322 1.00 0.00 H new ATOM 0 HB3 ASP A 51 3.609 -7.438 20.849 1.00 0.00 H new ATOM 835 N PRO A 52 1.225 -10.653 18.677 1.00 0.00 N ATOM 836 CA PRO A 52 0.404 -11.882 18.722 1.00 0.00 C ATOM 837 C PRO A 52 1.142 -13.007 19.464 1.00 0.00 C ATOM 838 O PRO A 52 0.793 -14.165 19.343 1.00 0.00 O ATOM 839 CB PRO A 52 0.161 -12.253 17.240 1.00 0.00 C ATOM 840 CG PRO A 52 0.955 -11.238 16.367 1.00 0.00 C ATOM 841 CD PRO A 52 1.663 -10.251 17.321 1.00 0.00 C ATOM 0 HA PRO A 52 -0.532 -11.732 19.261 1.00 0.00 H new ATOM 0 HB2 PRO A 52 0.493 -13.272 17.041 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -0.902 -12.212 17.004 1.00 0.00 H new ATOM 0 HG2 PRO A 52 1.684 -11.757 15.744 1.00 0.00 H new ATOM 0 HG3 PRO A 52 0.283 -10.705 15.694 1.00 0.00 H new ATOM 0 HD2 PRO A 52 2.747 -10.313 17.221 1.00 0.00 H new ATOM 0 HD3 PRO A 52 1.381 -9.221 17.104 1.00 0.00 H new ATOM 849 N LYS A 53 2.149 -12.678 20.228 1.00 0.00 N ATOM 850 CA LYS A 53 2.907 -13.728 20.982 1.00 0.00 C ATOM 851 C LYS A 53 3.167 -13.245 22.412 1.00 0.00 C ATOM 852 O LYS A 53 3.872 -13.883 23.169 1.00 0.00 O ATOM 853 CB LYS A 53 4.248 -14.006 20.277 1.00 0.00 C ATOM 854 CG LYS A 53 4.894 -12.683 19.781 1.00 0.00 C ATOM 855 CD LYS A 53 4.748 -12.554 18.257 1.00 0.00 C ATOM 856 CE LYS A 53 5.306 -11.204 17.806 1.00 0.00 C ATOM 857 NZ LYS A 53 6.777 -11.172 18.041 1.00 0.00 N ATOM 0 H LYS A 53 2.483 -11.724 20.365 1.00 0.00 H new ATOM 0 HA LYS A 53 2.320 -14.646 21.012 1.00 0.00 H new ATOM 0 HB2 LYS A 53 4.927 -14.513 20.963 1.00 0.00 H new ATOM 0 HB3 LYS A 53 4.088 -14.677 19.433 1.00 0.00 H new ATOM 0 HG2 LYS A 53 4.420 -11.833 20.271 1.00 0.00 H new ATOM 0 HG3 LYS A 53 5.949 -12.661 20.055 1.00 0.00 H new ATOM 0 HD2 LYS A 53 5.281 -13.365 17.760 1.00 0.00 H new ATOM 0 HD3 LYS A 53 3.699 -12.640 17.972 1.00 0.00 H new ATOM 0 HE2 LYS A 53 5.092 -11.045 16.749 1.00 0.00 H new ATOM 0 HE3 LYS A 53 4.821 -10.396 18.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 7.200 -10.400 17.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 6.964 -11.016 19.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 7.195 -12.078 17.747 1.00 0.00 H new ATOM 871 N ASN A 54 2.602 -12.126 22.792 1.00 0.00 N ATOM 872 CA ASN A 54 2.814 -11.603 24.180 1.00 0.00 C ATOM 873 C ASN A 54 1.514 -10.993 24.710 1.00 0.00 C ATOM 874 O ASN A 54 1.512 -10.283 25.696 1.00 0.00 O ATOM 875 CB ASN A 54 3.900 -10.524 24.155 1.00 0.00 C ATOM 876 CG ASN A 54 5.163 -11.084 23.498 1.00 0.00 C ATOM 877 OD1 ASN A 54 5.786 -10.421 22.694 1.00 0.00 O ATOM 878 ND2 ASN A 54 5.571 -12.285 23.808 1.00 0.00 N ATOM 0 H ASN A 54 2.002 -11.550 22.201 1.00 0.00 H new ATOM 0 HA ASN A 54 3.120 -12.424 24.829 1.00 0.00 H new ATOM 0 HB2 ASN A 54 3.548 -9.652 23.605 1.00 0.00 H new ATOM 0 HB3 ASN A 54 4.122 -10.193 25.170 1.00 0.00 H new ATOM 0 HD21 ASN A 54 6.412 -12.665 23.375 1.00 0.00 H new ATOM 0 HD22 ASN A 54 5.048 -12.843 24.483 1.00 0.00 H new ATOM 885 N GLU A 55 0.406 -11.252 24.065 1.00 0.00 N ATOM 886 CA GLU A 55 -0.880 -10.683 24.529 1.00 0.00 C ATOM 887 C GLU A 55 -2.017 -11.615 24.100 1.00 0.00 C ATOM 888 O GLU A 55 -2.006 -12.162 23.015 1.00 0.00 O ATOM 889 CB GLU A 55 -1.059 -9.303 23.889 1.00 0.00 C ATOM 890 CG GLU A 55 -2.416 -8.718 24.269 1.00 0.00 C ATOM 891 CD GLU A 55 -2.513 -8.572 25.789 1.00 0.00 C ATOM 892 OE1 GLU A 55 -1.593 -8.022 26.372 1.00 0.00 O ATOM 893 OE2 GLU A 55 -3.506 -9.012 26.345 1.00 0.00 O ATOM 0 H GLU A 55 0.343 -11.838 23.232 1.00 0.00 H new ATOM 0 HA GLU A 55 -0.890 -10.584 25.614 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -0.262 -8.636 24.217 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -0.980 -9.384 22.805 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -2.549 -7.747 23.792 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -3.215 -9.364 23.905 1.00 0.00 H new ATOM 900 N GLU A 56 -2.997 -11.799 24.940 1.00 0.00 N ATOM 901 CA GLU A 56 -4.131 -12.694 24.574 1.00 0.00 C ATOM 902 C GLU A 56 -5.087 -11.946 23.648 1.00 0.00 C ATOM 903 O GLU A 56 -6.279 -12.176 23.651 1.00 0.00 O ATOM 904 CB GLU A 56 -4.875 -13.117 25.839 1.00 0.00 C ATOM 905 CG GLU A 56 -3.881 -13.706 26.842 1.00 0.00 C ATOM 906 CD GLU A 56 -3.100 -12.578 27.521 1.00 0.00 C ATOM 907 OE1 GLU A 56 -3.633 -11.990 28.448 1.00 0.00 O ATOM 908 OE2 GLU A 56 -1.984 -12.322 27.102 1.00 0.00 O ATOM 0 H GLU A 56 -3.062 -11.369 25.863 1.00 0.00 H new ATOM 0 HA GLU A 56 -3.748 -13.579 24.066 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.386 -12.260 26.277 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -5.641 -13.853 25.594 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -4.411 -14.295 27.590 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -3.194 -14.381 26.333 1.00 0.00 H new ATOM 915 N ASP A 57 -4.575 -11.045 22.863 1.00 0.00 N ATOM 916 CA ASP A 57 -5.458 -10.273 21.943 1.00 0.00 C ATOM 917 C ASP A 57 -5.928 -11.174 20.795 1.00 0.00 C ATOM 918 O ASP A 57 -6.824 -10.827 20.050 1.00 0.00 O ATOM 919 CB ASP A 57 -4.687 -9.080 21.372 1.00 0.00 C ATOM 920 CG ASP A 57 -3.406 -9.573 20.696 1.00 0.00 C ATOM 921 OD1 ASP A 57 -2.659 -10.291 21.338 1.00 0.00 O ATOM 922 OD2 ASP A 57 -3.195 -9.223 19.547 1.00 0.00 O ATOM 0 H ASP A 57 -3.584 -10.808 22.816 1.00 0.00 H new ATOM 0 HA ASP A 57 -6.325 -9.915 22.497 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -5.307 -8.544 20.653 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -4.443 -8.377 22.168 1.00 0.00 H new ATOM 927 N ASP A 58 -5.335 -12.329 20.650 1.00 0.00 N ATOM 928 CA ASP A 58 -5.751 -13.253 19.551 1.00 0.00 C ATOM 929 C ASP A 58 -5.885 -12.474 18.239 1.00 0.00 C ATOM 930 O ASP A 58 -6.485 -12.938 17.291 1.00 0.00 O ATOM 931 CB ASP A 58 -7.098 -13.890 19.901 1.00 0.00 C ATOM 932 CG ASP A 58 -6.975 -14.665 21.214 1.00 0.00 C ATOM 933 OD1 ASP A 58 -5.962 -15.320 21.401 1.00 0.00 O ATOM 934 OD2 ASP A 58 -7.895 -14.591 22.012 1.00 0.00 O ATOM 0 H ASP A 58 -4.581 -12.674 21.244 1.00 0.00 H new ATOM 0 HA ASP A 58 -4.996 -14.031 19.434 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -7.863 -13.119 19.993 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -7.414 -14.559 19.101 1.00 0.00 H new ATOM 939 N MET A 59 -5.344 -11.287 18.184 1.00 0.00 N ATOM 940 CA MET A 59 -5.454 -10.477 16.938 1.00 0.00 C ATOM 941 C MET A 59 -6.922 -10.418 16.518 1.00 0.00 C ATOM 942 O MET A 59 -7.265 -10.675 15.382 1.00 0.00 O ATOM 943 CB MET A 59 -4.630 -11.125 15.822 1.00 0.00 C ATOM 944 CG MET A 59 -3.139 -10.875 16.065 1.00 0.00 C ATOM 945 SD MET A 59 -2.713 -9.190 15.550 1.00 0.00 S ATOM 946 CE MET A 59 -2.126 -9.587 13.883 1.00 0.00 C ATOM 0 H MET A 59 -4.832 -10.844 18.947 1.00 0.00 H new ATOM 0 HA MET A 59 -5.076 -9.471 17.120 1.00 0.00 H new ATOM 0 HB2 MET A 59 -4.827 -12.196 15.787 1.00 0.00 H new ATOM 0 HB3 MET A 59 -4.924 -10.715 14.856 1.00 0.00 H new ATOM 0 HG2 MET A 59 -2.904 -11.014 17.120 1.00 0.00 H new ATOM 0 HG3 MET A 59 -2.543 -11.598 15.508 1.00 0.00 H new ATOM 0 HE1 MET A 59 -1.809 -8.673 13.381 1.00 0.00 H new ATOM 0 HE2 MET A 59 -1.283 -10.275 13.948 1.00 0.00 H new ATOM 0 HE3 MET A 59 -2.931 -10.052 13.315 1.00 0.00 H new ATOM 956 N ARG A 60 -7.791 -10.092 17.441 1.00 0.00 N ATOM 957 CA ARG A 60 -9.252 -10.020 17.136 1.00 0.00 C ATOM 958 C ARG A 60 -9.802 -8.676 17.618 1.00 0.00 C ATOM 959 O ARG A 60 -10.372 -7.926 16.856 1.00 0.00 O ATOM 960 CB ARG A 60 -9.962 -11.157 17.871 1.00 0.00 C ATOM 961 CG ARG A 60 -11.452 -11.125 17.543 1.00 0.00 C ATOM 962 CD ARG A 60 -12.138 -12.332 18.183 1.00 0.00 C ATOM 963 NE ARG A 60 -11.860 -12.336 19.647 1.00 0.00 N ATOM 964 CZ ARG A 60 -12.561 -13.096 20.441 1.00 0.00 C ATOM 965 NH1 ARG A 60 -13.498 -13.862 19.952 1.00 0.00 N ATOM 966 NH2 ARG A 60 -12.323 -13.094 21.724 1.00 0.00 N ATOM 0 H ARG A 60 -7.546 -9.870 18.406 1.00 0.00 H new ATOM 0 HA ARG A 60 -9.417 -10.113 16.063 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -9.535 -12.116 17.578 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -9.814 -11.057 18.946 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -11.897 -10.201 17.912 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -11.598 -11.140 16.463 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -13.213 -12.291 18.005 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -11.775 -13.254 17.729 1.00 0.00 H new ATOM 0 HE ARG A 60 -11.122 -11.744 20.028 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -13.682 -13.866 18.949 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -14.046 -14.457 20.573 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -11.589 -12.498 22.106 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -12.871 -13.689 22.345 1.00 0.00 H new ATOM 980 N GLU A 61 -9.655 -8.372 18.878 1.00 0.00 N ATOM 981 CA GLU A 61 -10.185 -7.080 19.406 1.00 0.00 C ATOM 982 C GLU A 61 -9.819 -5.932 18.454 1.00 0.00 C ATOM 983 O GLU A 61 -10.401 -4.866 18.512 1.00 0.00 O ATOM 984 CB GLU A 61 -9.581 -6.811 20.793 1.00 0.00 C ATOM 985 CG GLU A 61 -10.319 -7.632 21.857 1.00 0.00 C ATOM 986 CD GLU A 61 -11.709 -7.040 22.089 1.00 0.00 C ATOM 987 OE1 GLU A 61 -11.811 -6.106 22.867 1.00 0.00 O ATOM 988 OE2 GLU A 61 -12.649 -7.531 21.485 1.00 0.00 O ATOM 0 H GLU A 61 -9.190 -8.963 19.567 1.00 0.00 H new ATOM 0 HA GLU A 61 -11.270 -7.143 19.484 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -8.522 -7.069 20.793 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -9.651 -5.749 21.029 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -10.404 -8.670 21.536 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -9.753 -7.632 22.788 1.00 0.00 H new ATOM 995 N MET A 62 -8.861 -6.136 17.581 1.00 0.00 N ATOM 996 CA MET A 62 -8.458 -5.050 16.626 1.00 0.00 C ATOM 997 C MET A 62 -9.080 -5.314 15.250 1.00 0.00 C ATOM 998 O MET A 62 -8.874 -4.569 14.313 1.00 0.00 O ATOM 999 CB MET A 62 -6.922 -5.000 16.502 1.00 0.00 C ATOM 1000 CG MET A 62 -6.298 -6.420 16.449 1.00 0.00 C ATOM 1001 SD MET A 62 -7.439 -7.627 15.710 1.00 0.00 S ATOM 1002 CE MET A 62 -7.043 -7.325 13.965 1.00 0.00 C ATOM 0 H MET A 62 -8.339 -7.008 17.487 1.00 0.00 H new ATOM 0 HA MET A 62 -8.815 -4.093 17.005 1.00 0.00 H new ATOM 0 HB2 MET A 62 -6.648 -4.450 15.602 1.00 0.00 H new ATOM 0 HB3 MET A 62 -6.507 -4.453 17.349 1.00 0.00 H new ATOM 0 HG2 MET A 62 -5.374 -6.391 15.871 1.00 0.00 H new ATOM 0 HG3 MET A 62 -6.033 -6.739 17.457 1.00 0.00 H new ATOM 0 HE1 MET A 62 -7.721 -7.899 13.333 1.00 0.00 H new ATOM 0 HE2 MET A 62 -7.154 -6.263 13.745 1.00 0.00 H new ATOM 0 HE3 MET A 62 -6.016 -7.631 13.767 1.00 0.00 H new ATOM 1012 N GLU A 63 -9.818 -6.388 15.123 1.00 0.00 N ATOM 1013 CA GLU A 63 -10.450 -6.736 13.811 1.00 0.00 C ATOM 1014 C GLU A 63 -11.057 -5.477 13.185 1.00 0.00 C ATOM 1015 O GLU A 63 -11.343 -5.428 12.006 1.00 0.00 O ATOM 1016 CB GLU A 63 -11.542 -7.783 14.046 1.00 0.00 C ATOM 1017 CG GLU A 63 -12.664 -7.175 14.890 1.00 0.00 C ATOM 1018 CD GLU A 63 -13.624 -8.280 15.337 1.00 0.00 C ATOM 1019 OE1 GLU A 63 -13.959 -9.115 14.512 1.00 0.00 O ATOM 1020 OE2 GLU A 63 -14.007 -8.272 16.494 1.00 0.00 O ATOM 0 H GLU A 63 -10.012 -7.045 15.878 1.00 0.00 H new ATOM 0 HA GLU A 63 -9.699 -7.141 13.133 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -11.938 -8.130 13.092 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -11.123 -8.653 14.552 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -12.245 -6.669 15.760 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -13.202 -6.424 14.312 1.00 0.00 H new ATOM 1027 N GLU A 64 -11.227 -4.455 13.971 1.00 0.00 N ATOM 1028 CA GLU A 64 -11.783 -3.184 13.447 1.00 0.00 C ATOM 1029 C GLU A 64 -10.833 -2.619 12.386 1.00 0.00 C ATOM 1030 O GLU A 64 -11.208 -2.419 11.250 1.00 0.00 O ATOM 1031 CB GLU A 64 -11.897 -2.194 14.605 1.00 0.00 C ATOM 1032 CG GLU A 64 -13.120 -2.540 15.457 1.00 0.00 C ATOM 1033 CD GLU A 64 -13.247 -1.532 16.600 1.00 0.00 C ATOM 1034 OE1 GLU A 64 -13.777 -0.458 16.363 1.00 0.00 O ATOM 1035 OE2 GLU A 64 -12.811 -1.849 17.694 1.00 0.00 O ATOM 0 H GLU A 64 -11.001 -4.447 14.966 1.00 0.00 H new ATOM 0 HA GLU A 64 -12.763 -3.354 13.001 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -10.995 -2.227 15.215 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -11.985 -1.178 14.221 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -14.020 -2.525 14.843 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -13.024 -3.549 15.857 1.00 0.00 H new ATOM 1042 N GLU A 65 -9.603 -2.364 12.750 1.00 0.00 N ATOM 1043 CA GLU A 65 -8.628 -1.816 11.762 1.00 0.00 C ATOM 1044 C GLU A 65 -8.417 -2.832 10.638 1.00 0.00 C ATOM 1045 O GLU A 65 -8.244 -2.476 9.489 1.00 0.00 O ATOM 1046 CB GLU A 65 -7.293 -1.545 12.462 1.00 0.00 C ATOM 1047 CG GLU A 65 -7.518 -0.591 13.636 1.00 0.00 C ATOM 1048 CD GLU A 65 -7.879 0.797 13.103 1.00 0.00 C ATOM 1049 OE1 GLU A 65 -7.097 1.337 12.338 1.00 0.00 O ATOM 1050 OE2 GLU A 65 -8.930 1.295 13.468 1.00 0.00 O ATOM 0 H GLU A 65 -9.232 -2.512 13.689 1.00 0.00 H new ATOM 0 HA GLU A 65 -9.015 -0.887 11.344 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -6.860 -2.480 12.817 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -6.582 -1.112 11.758 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -8.317 -0.966 14.275 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -6.619 -0.534 14.250 1.00 0.00 H new ATOM 1057 N ARG A 66 -8.434 -4.093 10.963 1.00 0.00 N ATOM 1058 CA ARG A 66 -8.239 -5.140 9.921 1.00 0.00 C ATOM 1059 C ARG A 66 -9.251 -4.928 8.791 1.00 0.00 C ATOM 1060 O ARG A 66 -8.903 -4.895 7.628 1.00 0.00 O ATOM 1061 CB ARG A 66 -8.465 -6.522 10.555 1.00 0.00 C ATOM 1062 CG ARG A 66 -8.157 -7.615 9.530 1.00 0.00 C ATOM 1063 CD ARG A 66 -7.984 -8.956 10.245 1.00 0.00 C ATOM 1064 NE ARG A 66 -9.179 -9.224 11.094 1.00 0.00 N ATOM 1065 CZ ARG A 66 -9.395 -10.425 11.555 1.00 0.00 C ATOM 1066 NH1 ARG A 66 -8.564 -11.391 11.269 1.00 0.00 N ATOM 1067 NH2 ARG A 66 -10.440 -10.663 12.299 1.00 0.00 N ATOM 0 H ARG A 66 -8.575 -4.446 11.909 1.00 0.00 H new ATOM 0 HA ARG A 66 -7.228 -5.078 9.518 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -7.826 -6.640 11.430 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -9.496 -6.611 10.898 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -8.965 -7.682 8.801 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -7.250 -7.366 8.979 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -7.856 -9.756 9.515 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -7.084 -8.939 10.860 1.00 0.00 H new ATOM 0 HE ARG A 66 -9.828 -8.469 11.315 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -7.748 -11.206 10.686 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -8.731 -12.331 11.629 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -11.090 -9.909 12.521 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -10.607 -11.603 12.658 1.00 0.00 H new ATOM 1081 N LEU A 67 -10.503 -4.788 9.128 1.00 0.00 N ATOM 1082 CA LEU A 67 -11.545 -4.586 8.083 1.00 0.00 C ATOM 1083 C LEU A 67 -11.543 -3.120 7.626 1.00 0.00 C ATOM 1084 O LEU A 67 -11.922 -2.810 6.513 1.00 0.00 O ATOM 1085 CB LEU A 67 -12.922 -5.002 8.653 1.00 0.00 C ATOM 1086 CG LEU A 67 -13.643 -3.810 9.328 1.00 0.00 C ATOM 1087 CD1 LEU A 67 -14.334 -2.907 8.270 1.00 0.00 C ATOM 1088 CD2 LEU A 67 -14.688 -4.348 10.323 1.00 0.00 C ATOM 0 H LEU A 67 -10.851 -4.805 10.087 1.00 0.00 H new ATOM 0 HA LEU A 67 -11.332 -5.206 7.212 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -13.544 -5.397 7.850 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -12.789 -5.805 9.378 1.00 0.00 H new ATOM 0 HG LEU A 67 -12.905 -3.206 9.857 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -14.833 -2.077 8.770 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -13.586 -2.517 7.580 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -15.069 -3.492 7.717 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -15.199 -3.512 10.801 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -15.415 -4.961 9.791 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -14.191 -4.952 11.082 1.00 0.00 H new ATOM 1100 N ARG A 68 -11.124 -2.215 8.467 1.00 0.00 N ATOM 1101 CA ARG A 68 -11.115 -0.776 8.058 1.00 0.00 C ATOM 1102 C ARG A 68 -10.195 -0.590 6.841 1.00 0.00 C ATOM 1103 O ARG A 68 -10.491 0.165 5.936 1.00 0.00 O ATOM 1104 CB ARG A 68 -10.624 0.090 9.235 1.00 0.00 C ATOM 1105 CG ARG A 68 -11.214 1.508 9.145 1.00 0.00 C ATOM 1106 CD ARG A 68 -10.717 2.220 7.879 1.00 0.00 C ATOM 1107 NE ARG A 68 -10.687 3.689 8.123 1.00 0.00 N ATOM 1108 CZ ARG A 68 -10.035 4.472 7.309 1.00 0.00 C ATOM 1109 NH1 ARG A 68 -9.408 3.969 6.280 1.00 0.00 N ATOM 1110 NH2 ARG A 68 -10.009 5.759 7.522 1.00 0.00 N ATOM 0 H ARG A 68 -10.790 -2.404 9.412 1.00 0.00 H new ATOM 0 HA ARG A 68 -12.124 -0.467 7.787 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -10.914 -0.371 10.179 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -9.535 0.142 9.226 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -12.303 1.455 9.135 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -10.931 2.082 10.027 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -9.722 1.863 7.613 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -11.372 1.992 7.038 1.00 0.00 H new ATOM 0 HE ARG A 68 -11.176 4.083 8.927 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -9.428 2.963 6.112 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -8.898 4.582 5.644 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -10.499 6.153 8.325 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -9.499 6.371 6.885 1.00 0.00 H new ATOM 1124 N MET A 69 -9.085 -1.277 6.806 1.00 0.00 N ATOM 1125 CA MET A 69 -8.154 -1.135 5.640 1.00 0.00 C ATOM 1126 C MET A 69 -8.608 -2.047 4.498 1.00 0.00 C ATOM 1127 O MET A 69 -8.729 -1.614 3.369 1.00 0.00 O ATOM 1128 CB MET A 69 -6.712 -1.496 6.039 1.00 0.00 C ATOM 1129 CG MET A 69 -6.292 -0.748 7.314 1.00 0.00 C ATOM 1130 SD MET A 69 -4.821 -1.540 8.012 1.00 0.00 S ATOM 1131 CE MET A 69 -4.418 -0.254 9.218 1.00 0.00 C ATOM 0 H MET A 69 -8.780 -1.929 7.529 1.00 0.00 H new ATOM 0 HA MET A 69 -8.175 -0.095 5.313 1.00 0.00 H new ATOM 0 HB2 MET A 69 -6.634 -2.571 6.201 1.00 0.00 H new ATOM 0 HB3 MET A 69 -6.032 -1.246 5.225 1.00 0.00 H new ATOM 0 HG2 MET A 69 -6.083 0.297 7.085 1.00 0.00 H new ATOM 0 HG3 MET A 69 -7.105 -0.758 8.040 1.00 0.00 H new ATOM 0 HE1 MET A 69 -3.525 -0.542 9.772 1.00 0.00 H new ATOM 0 HE2 MET A 69 -4.236 0.687 8.699 1.00 0.00 H new ATOM 0 HE3 MET A 69 -5.251 -0.131 9.911 1.00 0.00 H new ATOM 1141 N ARG A 70 -8.852 -3.298 4.757 1.00 0.00 N ATOM 1142 CA ARG A 70 -9.283 -4.202 3.655 1.00 0.00 C ATOM 1143 C ARG A 70 -10.449 -3.581 2.876 1.00 0.00 C ATOM 1144 O ARG A 70 -10.652 -3.879 1.717 1.00 0.00 O ATOM 1145 CB ARG A 70 -9.722 -5.548 4.239 1.00 0.00 C ATOM 1146 CG ARG A 70 -9.863 -6.573 3.106 1.00 0.00 C ATOM 1147 CD ARG A 70 -10.385 -7.906 3.658 1.00 0.00 C ATOM 1148 NE ARG A 70 -10.235 -8.963 2.618 1.00 0.00 N ATOM 1149 CZ ARG A 70 -10.320 -10.222 2.950 1.00 0.00 C ATOM 1150 NH1 ARG A 70 -10.533 -10.555 4.193 1.00 0.00 N ATOM 1151 NH2 ARG A 70 -10.190 -11.149 2.040 1.00 0.00 N ATOM 0 H ARG A 70 -8.773 -3.733 5.676 1.00 0.00 H new ATOM 0 HA ARG A 70 -8.444 -4.350 2.975 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -8.992 -5.895 4.970 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -10.671 -5.437 4.764 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -10.546 -6.194 2.346 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -8.899 -6.725 2.621 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -9.832 -8.182 4.556 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -11.432 -7.809 3.945 1.00 0.00 H new ATOM 0 HE ARG A 70 -10.066 -8.702 1.647 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -10.633 -9.831 4.905 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -10.600 -11.539 4.453 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -10.022 -10.889 1.068 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -10.257 -12.133 2.301 1.00 0.00 H new ATOM 1165 N GLU A 71 -11.230 -2.735 3.496 1.00 0.00 N ATOM 1166 CA GLU A 71 -12.389 -2.124 2.772 1.00 0.00 C ATOM 1167 C GLU A 71 -11.944 -0.883 1.986 1.00 0.00 C ATOM 1168 O GLU A 71 -12.217 -0.758 0.808 1.00 0.00 O ATOM 1169 CB GLU A 71 -13.468 -1.722 3.783 1.00 0.00 C ATOM 1170 CG GLU A 71 -14.194 -2.972 4.290 1.00 0.00 C ATOM 1171 CD GLU A 71 -15.051 -3.560 3.167 1.00 0.00 C ATOM 1172 OE1 GLU A 71 -15.711 -2.792 2.487 1.00 0.00 O ATOM 1173 OE2 GLU A 71 -15.033 -4.769 3.007 1.00 0.00 O ATOM 0 H GLU A 71 -11.118 -2.441 4.466 1.00 0.00 H new ATOM 0 HA GLU A 71 -12.788 -2.858 2.072 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -13.016 -1.189 4.619 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -14.180 -1.040 3.318 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -13.470 -3.711 4.633 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -14.821 -2.719 5.145 1.00 0.00 H new ATOM 1180 N HIS A 72 -11.274 0.040 2.622 1.00 0.00 N ATOM 1181 CA HIS A 72 -10.835 1.272 1.900 1.00 0.00 C ATOM 1182 C HIS A 72 -10.022 0.899 0.656 1.00 0.00 C ATOM 1183 O HIS A 72 -10.155 1.516 -0.381 1.00 0.00 O ATOM 1184 CB HIS A 72 -9.980 2.141 2.828 1.00 0.00 C ATOM 1185 CG HIS A 72 -9.751 3.483 2.185 1.00 0.00 C ATOM 1186 ND1 HIS A 72 -8.707 3.708 1.301 1.00 0.00 N ATOM 1187 CD2 HIS A 72 -10.419 4.678 2.291 1.00 0.00 C ATOM 1188 CE1 HIS A 72 -8.776 4.995 0.914 1.00 0.00 C ATOM 1189 NE2 HIS A 72 -9.801 5.632 1.486 1.00 0.00 N ATOM 0 H HIS A 72 -11.012 -0.004 3.607 1.00 0.00 H new ATOM 0 HA HIS A 72 -11.719 1.829 1.592 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -10.479 2.266 3.789 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -9.026 1.652 3.025 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -11.290 4.852 2.905 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -8.086 5.457 0.224 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -10.073 6.607 1.360 1.00 0.00 H new ATOM 1197 N VAL A 73 -9.177 -0.092 0.738 1.00 0.00 N ATOM 1198 CA VAL A 73 -8.372 -0.463 -0.462 1.00 0.00 C ATOM 1199 C VAL A 73 -9.263 -1.166 -1.489 1.00 0.00 C ATOM 1200 O VAL A 73 -9.316 -0.781 -2.641 1.00 0.00 O ATOM 1201 CB VAL A 73 -7.222 -1.397 -0.063 1.00 0.00 C ATOM 1202 CG1 VAL A 73 -6.511 -1.892 -1.327 1.00 0.00 C ATOM 1203 CG2 VAL A 73 -6.234 -0.641 0.829 1.00 0.00 C ATOM 0 H VAL A 73 -9.010 -0.655 1.572 1.00 0.00 H new ATOM 0 HA VAL A 73 -7.959 0.446 -0.899 1.00 0.00 H new ATOM 0 HB VAL A 73 -7.616 -2.251 0.487 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -5.693 -2.556 -1.048 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -7.219 -2.433 -1.955 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -6.114 -1.040 -1.879 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -5.417 -1.305 1.112 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -5.834 0.215 0.285 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -6.746 -0.293 1.726 1.00 0.00 H new ATOM 1213 N MET A 74 -9.955 -2.197 -1.093 1.00 0.00 N ATOM 1214 CA MET A 74 -10.822 -2.919 -2.063 1.00 0.00 C ATOM 1215 C MET A 74 -11.936 -1.991 -2.554 1.00 0.00 C ATOM 1216 O MET A 74 -12.511 -2.211 -3.592 1.00 0.00 O ATOM 1217 CB MET A 74 -11.440 -4.159 -1.397 1.00 0.00 C ATOM 1218 CG MET A 74 -10.432 -5.315 -1.412 1.00 0.00 C ATOM 1219 SD MET A 74 -10.218 -5.901 -3.113 1.00 0.00 S ATOM 1220 CE MET A 74 -9.955 -7.652 -2.736 1.00 0.00 C ATOM 0 H MET A 74 -9.958 -2.569 -0.143 1.00 0.00 H new ATOM 0 HA MET A 74 -10.215 -3.235 -2.911 1.00 0.00 H new ATOM 0 HB2 MET A 74 -11.726 -3.927 -0.371 1.00 0.00 H new ATOM 0 HB3 MET A 74 -12.349 -4.450 -1.923 1.00 0.00 H new ATOM 0 HG2 MET A 74 -9.476 -4.984 -1.006 1.00 0.00 H new ATOM 0 HG3 MET A 74 -10.784 -6.128 -0.777 1.00 0.00 H new ATOM 0 HE1 MET A 74 -9.800 -8.204 -3.663 1.00 0.00 H new ATOM 0 HE2 MET A 74 -9.077 -7.759 -2.099 1.00 0.00 H new ATOM 0 HE3 MET A 74 -10.829 -8.048 -2.219 1.00 0.00 H new ATOM 1230 N LYS A 75 -12.272 -0.974 -1.811 1.00 0.00 N ATOM 1231 CA LYS A 75 -13.374 -0.066 -2.254 1.00 0.00 C ATOM 1232 C LYS A 75 -12.822 1.077 -3.119 1.00 0.00 C ATOM 1233 O LYS A 75 -13.473 1.530 -4.041 1.00 0.00 O ATOM 1234 CB LYS A 75 -14.065 0.519 -1.019 1.00 0.00 C ATOM 1235 CG LYS A 75 -15.255 1.381 -1.453 1.00 0.00 C ATOM 1236 CD LYS A 75 -16.185 1.617 -0.256 1.00 0.00 C ATOM 1237 CE LYS A 75 -15.457 2.412 0.823 1.00 0.00 C ATOM 1238 NZ LYS A 75 -14.557 1.508 1.594 1.00 0.00 N ATOM 0 H LYS A 75 -11.836 -0.731 -0.921 1.00 0.00 H new ATOM 0 HA LYS A 75 -14.086 -0.638 -2.849 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -14.405 -0.285 -0.366 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -13.359 1.119 -0.445 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -14.902 2.335 -1.845 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -15.800 0.887 -2.258 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -17.076 2.157 -0.578 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -16.520 0.662 0.148 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -14.878 3.215 0.368 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -16.179 2.880 1.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -14.636 1.723 2.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -14.832 0.519 1.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -13.574 1.651 1.285 1.00 0.00 H new ATOM 1252 N ASN A 76 -11.647 1.571 -2.815 1.00 0.00 N ATOM 1253 CA ASN A 76 -11.077 2.715 -3.603 1.00 0.00 C ATOM 1254 C ASN A 76 -10.042 2.251 -4.642 1.00 0.00 C ATOM 1255 O ASN A 76 -9.621 3.047 -5.458 1.00 0.00 O ATOM 1256 CB ASN A 76 -10.421 3.714 -2.640 1.00 0.00 C ATOM 1257 CG ASN A 76 -11.361 3.979 -1.462 1.00 0.00 C ATOM 1258 OD1 ASN A 76 -10.917 4.159 -0.346 1.00 0.00 O ATOM 1259 ND2 ASN A 76 -12.649 4.012 -1.664 1.00 0.00 N ATOM 0 H ASN A 76 -11.056 1.233 -2.056 1.00 0.00 H new ATOM 0 HA ASN A 76 -11.897 3.185 -4.146 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -9.472 3.318 -2.280 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -10.201 4.646 -3.160 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -13.283 4.189 -0.885 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -13.022 3.861 -2.601 1.00 0.00 H new ATOM 1266 N VAL A 77 -9.617 1.002 -4.644 1.00 0.00 N ATOM 1267 CA VAL A 77 -8.599 0.558 -5.671 1.00 0.00 C ATOM 1268 C VAL A 77 -9.168 -0.547 -6.569 1.00 0.00 C ATOM 1269 O VAL A 77 -8.817 -0.637 -7.730 1.00 0.00 O ATOM 1270 CB VAL A 77 -7.333 0.052 -4.975 1.00 0.00 C ATOM 1271 CG1 VAL A 77 -6.349 -0.458 -6.035 1.00 0.00 C ATOM 1272 CG2 VAL A 77 -6.680 1.207 -4.208 1.00 0.00 C ATOM 0 H VAL A 77 -9.923 0.280 -3.992 1.00 0.00 H new ATOM 0 HA VAL A 77 -8.353 1.418 -6.293 1.00 0.00 H new ATOM 0 HB VAL A 77 -7.590 -0.752 -4.285 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -5.444 -0.820 -5.547 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -6.809 -1.271 -6.597 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -6.094 0.354 -6.715 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -5.778 0.850 -3.711 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -6.419 2.005 -4.904 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -7.378 1.589 -3.463 1.00 0.00 H new ATOM 1282 N ASP A 78 -10.042 -1.384 -6.073 1.00 0.00 N ATOM 1283 CA ASP A 78 -10.610 -2.456 -6.951 1.00 0.00 C ATOM 1284 C ASP A 78 -11.082 -1.831 -8.265 1.00 0.00 C ATOM 1285 O ASP A 78 -12.101 -1.174 -8.329 1.00 0.00 O ATOM 1286 CB ASP A 78 -11.793 -3.134 -6.257 1.00 0.00 C ATOM 1287 CG ASP A 78 -12.950 -2.145 -6.111 1.00 0.00 C ATOM 1288 OD1 ASP A 78 -12.683 -0.996 -5.800 1.00 0.00 O ATOM 1289 OD2 ASP A 78 -14.080 -2.551 -6.314 1.00 0.00 O ATOM 0 H ASP A 78 -10.385 -1.375 -5.112 1.00 0.00 H new ATOM 0 HA ASP A 78 -9.841 -3.202 -7.149 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -12.115 -4.001 -6.834 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -11.489 -3.499 -5.276 1.00 0.00 H new ATOM 1294 N THR A 79 -10.333 -1.998 -9.312 1.00 0.00 N ATOM 1295 CA THR A 79 -10.720 -1.389 -10.606 1.00 0.00 C ATOM 1296 C THR A 79 -11.815 -2.225 -11.280 1.00 0.00 C ATOM 1297 O THR A 79 -12.920 -1.757 -11.470 1.00 0.00 O ATOM 1298 CB THR A 79 -9.467 -1.287 -11.502 1.00 0.00 C ATOM 1299 OG1 THR A 79 -9.745 -1.818 -12.790 1.00 0.00 O ATOM 1300 CG2 THR A 79 -8.285 -2.056 -10.864 1.00 0.00 C ATOM 0 H THR A 79 -9.465 -2.533 -9.327 1.00 0.00 H new ATOM 0 HA THR A 79 -11.123 -0.390 -10.442 1.00 0.00 H new ATOM 0 HB THR A 79 -9.194 -0.236 -11.598 1.00 0.00 H new ATOM 0 HG1 THR A 79 -9.044 -2.456 -13.039 1.00 0.00 H new ATOM 0 HG21 THR A 79 -7.409 -1.975 -11.507 1.00 0.00 H new ATOM 0 HG22 THR A 79 -8.059 -1.629 -9.887 1.00 0.00 H new ATOM 0 HG23 THR A 79 -8.554 -3.106 -10.748 1.00 0.00 H new ATOM 1308 N ASN A 80 -11.529 -3.449 -11.637 1.00 0.00 N ATOM 1309 CA ASN A 80 -12.568 -4.317 -12.300 1.00 0.00 C ATOM 1310 C ASN A 80 -13.035 -5.399 -11.326 1.00 0.00 C ATOM 1311 O ASN A 80 -13.488 -6.453 -11.726 1.00 0.00 O ATOM 1312 CB ASN A 80 -11.996 -4.972 -13.561 1.00 0.00 C ATOM 1313 CG ASN A 80 -13.105 -5.748 -14.278 1.00 0.00 C ATOM 1314 OD1 ASN A 80 -12.838 -6.517 -15.180 1.00 0.00 O ATOM 1315 ND2 ASN A 80 -14.348 -5.583 -13.911 1.00 0.00 N ATOM 0 H ASN A 80 -10.621 -3.893 -11.501 1.00 0.00 H new ATOM 0 HA ASN A 80 -13.414 -3.692 -12.584 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -11.582 -4.212 -14.223 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -11.179 -5.644 -13.297 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -15.091 -6.099 -14.381 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -14.575 -4.938 -13.154 1.00 0.00 H new ATOM 1322 N GLN A 81 -12.948 -5.123 -10.053 1.00 0.00 N ATOM 1323 CA GLN A 81 -13.400 -6.096 -9.010 1.00 0.00 C ATOM 1324 C GLN A 81 -13.089 -7.540 -9.422 1.00 0.00 C ATOM 1325 O GLN A 81 -13.789 -8.464 -9.056 1.00 0.00 O ATOM 1326 CB GLN A 81 -14.912 -5.939 -8.785 1.00 0.00 C ATOM 1327 CG GLN A 81 -15.189 -4.717 -7.897 1.00 0.00 C ATOM 1328 CD GLN A 81 -14.929 -5.074 -6.431 1.00 0.00 C ATOM 1329 OE1 GLN A 81 -15.354 -4.369 -5.536 1.00 0.00 O ATOM 1330 NE2 GLN A 81 -14.247 -6.149 -6.143 1.00 0.00 N ATOM 0 H GLN A 81 -12.576 -4.248 -9.683 1.00 0.00 H new ATOM 0 HA GLN A 81 -12.860 -5.883 -8.087 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -15.420 -5.825 -9.743 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -15.313 -6.838 -8.316 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -14.552 -3.885 -8.197 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -16.221 -4.390 -8.024 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -13.889 -6.742 -6.892 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -14.072 -6.396 -5.169 1.00 0.00 H new ATOM 1339 N ASP A 82 -12.037 -7.745 -10.155 1.00 0.00 N ATOM 1340 CA ASP A 82 -11.667 -9.128 -10.562 1.00 0.00 C ATOM 1341 C ASP A 82 -10.800 -9.708 -9.454 1.00 0.00 C ATOM 1342 O ASP A 82 -10.104 -10.686 -9.631 1.00 0.00 O ATOM 1343 CB ASP A 82 -10.874 -9.079 -11.870 1.00 0.00 C ATOM 1344 CG ASP A 82 -11.777 -8.565 -12.992 1.00 0.00 C ATOM 1345 OD1 ASP A 82 -12.984 -8.585 -12.810 1.00 0.00 O ATOM 1346 OD2 ASP A 82 -11.247 -8.159 -14.014 1.00 0.00 O ATOM 0 H ASP A 82 -11.413 -7.013 -10.493 1.00 0.00 H new ATOM 0 HA ASP A 82 -12.555 -9.741 -10.717 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -10.007 -8.428 -11.758 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -10.497 -10.071 -12.117 1.00 0.00 H new ATOM 1351 N ARG A 83 -10.832 -9.067 -8.317 1.00 0.00 N ATOM 1352 CA ARG A 83 -10.008 -9.507 -7.158 1.00 0.00 C ATOM 1353 C ARG A 83 -8.535 -9.387 -7.533 1.00 0.00 C ATOM 1354 O ARG A 83 -7.655 -9.625 -6.730 1.00 0.00 O ATOM 1355 CB ARG A 83 -10.332 -10.954 -6.767 1.00 0.00 C ATOM 1356 CG ARG A 83 -11.858 -11.129 -6.633 1.00 0.00 C ATOM 1357 CD ARG A 83 -12.187 -12.529 -6.076 1.00 0.00 C ATOM 1358 NE ARG A 83 -13.417 -13.060 -6.743 1.00 0.00 N ATOM 1359 CZ ARG A 83 -14.498 -12.333 -6.845 1.00 0.00 C ATOM 1360 NH1 ARG A 83 -14.590 -11.191 -6.220 1.00 0.00 N ATOM 1361 NH2 ARG A 83 -15.513 -12.778 -7.533 1.00 0.00 N ATOM 0 H ARG A 83 -11.406 -8.242 -8.141 1.00 0.00 H new ATOM 0 HA ARG A 83 -10.232 -8.873 -6.300 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -9.943 -11.640 -7.520 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -9.844 -11.204 -5.825 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -12.263 -10.362 -5.972 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -12.333 -10.995 -7.605 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -11.349 -13.205 -6.246 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -12.340 -12.476 -4.998 1.00 0.00 H new ATOM 0 HE ARG A 83 -13.411 -14.006 -7.125 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -13.814 -10.860 -5.646 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -15.437 -10.630 -6.305 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -15.460 -13.689 -7.988 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -16.359 -12.215 -7.616 1.00 0.00 H new ATOM 1375 N LEU A 84 -8.262 -9.001 -8.757 1.00 0.00 N ATOM 1376 CA LEU A 84 -6.855 -8.836 -9.224 1.00 0.00 C ATOM 1377 C LEU A 84 -6.700 -7.392 -9.714 1.00 0.00 C ATOM 1378 O LEU A 84 -7.539 -6.873 -10.423 1.00 0.00 O ATOM 1379 CB LEU A 84 -6.598 -9.826 -10.384 1.00 0.00 C ATOM 1380 CG LEU A 84 -5.877 -11.098 -9.877 1.00 0.00 C ATOM 1381 CD1 LEU A 84 -6.805 -11.925 -8.972 1.00 0.00 C ATOM 1382 CD2 LEU A 84 -5.461 -11.940 -11.089 1.00 0.00 C ATOM 0 H LEU A 84 -8.969 -8.791 -9.461 1.00 0.00 H new ATOM 0 HA LEU A 84 -6.141 -9.038 -8.425 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -7.545 -10.101 -10.849 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -5.994 -9.343 -11.152 1.00 0.00 H new ATOM 0 HG LEU A 84 -5.002 -10.807 -9.296 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -6.278 -12.815 -8.627 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -7.105 -11.325 -8.113 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -7.690 -12.223 -9.534 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -4.951 -12.841 -10.748 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -6.347 -12.218 -11.660 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -4.789 -11.360 -11.722 1.00 0.00 H new ATOM 1394 N VAL A 85 -5.639 -6.742 -9.321 1.00 0.00 N ATOM 1395 CA VAL A 85 -5.409 -5.316 -9.730 1.00 0.00 C ATOM 1396 C VAL A 85 -4.201 -5.244 -10.664 1.00 0.00 C ATOM 1397 O VAL A 85 -3.145 -5.752 -10.346 1.00 0.00 O ATOM 1398 CB VAL A 85 -5.107 -4.491 -8.474 1.00 0.00 C ATOM 1399 CG1 VAL A 85 -4.678 -3.078 -8.881 1.00 0.00 C ATOM 1400 CG2 VAL A 85 -6.361 -4.421 -7.592 1.00 0.00 C ATOM 0 H VAL A 85 -4.910 -7.138 -8.727 1.00 0.00 H new ATOM 0 HA VAL A 85 -6.292 -4.930 -10.239 1.00 0.00 H new ATOM 0 HB VAL A 85 -4.300 -4.963 -7.913 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -4.463 -2.491 -7.988 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -3.784 -3.134 -9.502 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -5.481 -2.602 -9.443 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -6.145 -3.834 -6.699 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -7.171 -3.950 -8.149 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -6.658 -5.429 -7.301 1.00 0.00 H new ATOM 1410 N THR A 86 -4.326 -4.603 -11.801 1.00 0.00 N ATOM 1411 CA THR A 86 -3.151 -4.504 -12.723 1.00 0.00 C ATOM 1412 C THR A 86 -2.418 -3.187 -12.461 1.00 0.00 C ATOM 1413 O THR A 86 -2.925 -2.307 -11.794 1.00 0.00 O ATOM 1414 CB THR A 86 -3.616 -4.562 -14.172 1.00 0.00 C ATOM 1415 OG1 THR A 86 -4.556 -3.525 -14.417 1.00 0.00 O ATOM 1416 CG2 THR A 86 -4.259 -5.922 -14.443 1.00 0.00 C ATOM 0 H THR A 86 -5.179 -4.149 -12.128 1.00 0.00 H new ATOM 0 HA THR A 86 -2.476 -5.340 -12.542 1.00 0.00 H new ATOM 0 HB THR A 86 -2.761 -4.428 -14.834 1.00 0.00 H new ATOM 0 HG1 THR A 86 -4.697 -3.433 -15.382 1.00 0.00 H new ATOM 0 HG21 THR A 86 -4.593 -5.966 -15.480 1.00 0.00 H new ATOM 0 HG22 THR A 86 -3.530 -6.712 -14.262 1.00 0.00 H new ATOM 0 HG23 THR A 86 -5.114 -6.059 -13.780 1.00 0.00 H new ATOM 1424 N LEU A 87 -1.235 -3.041 -12.984 1.00 0.00 N ATOM 1425 CA LEU A 87 -0.477 -1.776 -12.768 1.00 0.00 C ATOM 1426 C LEU A 87 -1.174 -0.666 -13.557 1.00 0.00 C ATOM 1427 O LEU A 87 -1.289 0.454 -13.111 1.00 0.00 O ATOM 1428 CB LEU A 87 0.981 -1.985 -13.254 1.00 0.00 C ATOM 1429 CG LEU A 87 1.787 -0.659 -13.370 1.00 0.00 C ATOM 1430 CD1 LEU A 87 1.313 0.201 -14.561 1.00 0.00 C ATOM 1431 CD2 LEU A 87 1.707 0.134 -12.056 1.00 0.00 C ATOM 0 H LEU A 87 -0.759 -3.742 -13.552 1.00 0.00 H new ATOM 0 HA LEU A 87 -0.451 -1.497 -11.715 1.00 0.00 H new ATOM 0 HB2 LEU A 87 1.494 -2.655 -12.564 1.00 0.00 H new ATOM 0 HB3 LEU A 87 0.966 -2.479 -14.226 1.00 0.00 H new ATOM 0 HG LEU A 87 2.828 -0.921 -13.558 1.00 0.00 H new ATOM 0 HD11 LEU A 87 1.902 1.117 -14.605 1.00 0.00 H new ATOM 0 HD12 LEU A 87 1.442 -0.358 -15.488 1.00 0.00 H new ATOM 0 HD13 LEU A 87 0.260 0.452 -14.432 1.00 0.00 H new ATOM 0 HD21 LEU A 87 2.276 1.059 -12.154 1.00 0.00 H new ATOM 0 HD22 LEU A 87 0.666 0.370 -11.836 1.00 0.00 H new ATOM 0 HD23 LEU A 87 2.122 -0.464 -11.245 1.00 0.00 H new ATOM 1443 N GLU A 88 -1.652 -0.983 -14.722 1.00 0.00 N ATOM 1444 CA GLU A 88 -2.348 0.031 -15.569 1.00 0.00 C ATOM 1445 C GLU A 88 -3.564 0.622 -14.849 1.00 0.00 C ATOM 1446 O GLU A 88 -3.583 1.787 -14.489 1.00 0.00 O ATOM 1447 CB GLU A 88 -2.817 -0.654 -16.854 1.00 0.00 C ATOM 1448 CG GLU A 88 -1.601 -1.172 -17.628 1.00 0.00 C ATOM 1449 CD GLU A 88 -2.059 -1.776 -18.957 1.00 0.00 C ATOM 1450 OE1 GLU A 88 -3.228 -1.635 -19.278 1.00 0.00 O ATOM 1451 OE2 GLU A 88 -1.233 -2.368 -19.633 1.00 0.00 O ATOM 0 H GLU A 88 -1.592 -1.914 -15.134 1.00 0.00 H new ATOM 0 HA GLU A 88 -1.653 0.843 -15.785 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -3.488 -1.479 -16.615 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -3.381 0.048 -17.468 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -0.899 -0.358 -17.809 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -1.074 -1.922 -17.038 1.00 0.00 H new ATOM 1458 N GLU A 89 -4.590 -0.155 -14.659 1.00 0.00 N ATOM 1459 CA GLU A 89 -5.808 0.380 -13.997 1.00 0.00 C ATOM 1460 C GLU A 89 -5.459 0.964 -12.619 1.00 0.00 C ATOM 1461 O GLU A 89 -6.082 1.902 -12.163 1.00 0.00 O ATOM 1462 CB GLU A 89 -6.836 -0.743 -13.836 1.00 0.00 C ATOM 1463 CG GLU A 89 -7.533 -1.031 -15.163 1.00 0.00 C ATOM 1464 CD GLU A 89 -6.490 -1.338 -16.239 1.00 0.00 C ATOM 1465 OE1 GLU A 89 -5.792 -2.328 -16.092 1.00 0.00 O ATOM 1466 OE2 GLU A 89 -6.407 -0.579 -17.190 1.00 0.00 O ATOM 0 H GLU A 89 -4.638 -1.136 -14.933 1.00 0.00 H new ATOM 0 HA GLU A 89 -6.226 1.174 -14.616 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -6.342 -1.646 -13.475 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -7.574 -0.462 -13.085 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -8.213 -1.875 -15.051 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -8.136 -0.173 -15.462 1.00 0.00 H new ATOM 1473 N PHE A 90 -4.485 0.415 -11.942 1.00 0.00 N ATOM 1474 CA PHE A 90 -4.131 0.943 -10.593 1.00 0.00 C ATOM 1475 C PHE A 90 -3.673 2.406 -10.701 1.00 0.00 C ATOM 1476 O PHE A 90 -4.143 3.263 -9.976 1.00 0.00 O ATOM 1477 CB PHE A 90 -3.029 0.071 -9.987 1.00 0.00 C ATOM 1478 CG PHE A 90 -2.409 0.772 -8.797 1.00 0.00 C ATOM 1479 CD1 PHE A 90 -3.027 0.703 -7.543 1.00 0.00 C ATOM 1480 CD2 PHE A 90 -1.224 1.500 -8.954 1.00 0.00 C ATOM 1481 CE1 PHE A 90 -2.458 1.362 -6.446 1.00 0.00 C ATOM 1482 CE2 PHE A 90 -0.654 2.157 -7.858 1.00 0.00 C ATOM 1483 CZ PHE A 90 -1.272 2.090 -6.604 1.00 0.00 C ATOM 0 H PHE A 90 -3.922 -0.372 -12.263 1.00 0.00 H new ATOM 0 HA PHE A 90 -5.006 0.911 -9.944 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -3.442 -0.889 -9.679 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -2.265 -0.136 -10.736 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -3.942 0.142 -7.421 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -0.749 1.555 -9.922 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -2.934 1.309 -5.478 1.00 0.00 H new ATOM 0 HE2 PHE A 90 0.262 2.716 -7.980 1.00 0.00 H new ATOM 0 HZ PHE A 90 -0.834 2.600 -5.758 1.00 0.00 H new ATOM 1493 N LEU A 91 -2.778 2.710 -11.604 1.00 0.00 N ATOM 1494 CA LEU A 91 -2.326 4.124 -11.747 1.00 0.00 C ATOM 1495 C LEU A 91 -3.553 5.025 -11.877 1.00 0.00 C ATOM 1496 O LEU A 91 -3.671 6.033 -11.209 1.00 0.00 O ATOM 1497 CB LEU A 91 -1.455 4.270 -13.004 1.00 0.00 C ATOM 1498 CG LEU A 91 -0.117 3.525 -12.811 1.00 0.00 C ATOM 1499 CD1 LEU A 91 0.706 3.607 -14.103 1.00 0.00 C ATOM 1500 CD2 LEU A 91 0.693 4.142 -11.646 1.00 0.00 C ATOM 0 H LEU A 91 -2.344 2.045 -12.244 1.00 0.00 H new ATOM 0 HA LEU A 91 -1.742 4.409 -10.872 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -1.982 3.869 -13.870 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -1.267 5.325 -13.205 1.00 0.00 H new ATOM 0 HG LEU A 91 -0.332 2.483 -12.572 1.00 0.00 H new ATOM 0 HD11 LEU A 91 1.651 3.081 -13.967 1.00 0.00 H new ATOM 0 HD12 LEU A 91 0.149 3.147 -14.919 1.00 0.00 H new ATOM 0 HD13 LEU A 91 0.904 4.652 -14.343 1.00 0.00 H new ATOM 0 HD21 LEU A 91 1.632 3.601 -11.529 1.00 0.00 H new ATOM 0 HD22 LEU A 91 0.903 5.189 -11.863 1.00 0.00 H new ATOM 0 HD23 LEU A 91 0.116 4.071 -10.724 1.00 0.00 H new ATOM 1512 N ALA A 92 -4.470 4.666 -12.735 1.00 0.00 N ATOM 1513 CA ALA A 92 -5.694 5.498 -12.917 1.00 0.00 C ATOM 1514 C ALA A 92 -6.279 5.890 -11.553 1.00 0.00 C ATOM 1515 O ALA A 92 -6.413 7.056 -11.239 1.00 0.00 O ATOM 1516 CB ALA A 92 -6.732 4.698 -13.703 1.00 0.00 C ATOM 0 H ALA A 92 -4.424 3.831 -13.319 1.00 0.00 H new ATOM 0 HA ALA A 92 -5.431 6.405 -13.462 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -7.630 5.301 -13.839 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -6.323 4.430 -14.677 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -6.985 3.791 -13.154 1.00 0.00 H new ATOM 1522 N SER A 93 -6.647 4.926 -10.749 1.00 0.00 N ATOM 1523 CA SER A 93 -7.242 5.244 -9.420 1.00 0.00 C ATOM 1524 C SER A 93 -6.383 6.273 -8.680 1.00 0.00 C ATOM 1525 O SER A 93 -6.880 7.037 -7.877 1.00 0.00 O ATOM 1526 CB SER A 93 -7.336 3.967 -8.585 1.00 0.00 C ATOM 1527 OG SER A 93 -7.869 4.283 -7.305 1.00 0.00 O ATOM 0 H SER A 93 -6.560 3.931 -10.957 1.00 0.00 H new ATOM 0 HA SER A 93 -8.237 5.661 -9.573 1.00 0.00 H new ATOM 0 HB2 SER A 93 -7.971 3.236 -9.086 1.00 0.00 H new ATOM 0 HB3 SER A 93 -6.350 3.514 -8.480 1.00 0.00 H new ATOM 0 HG SER A 93 -8.446 3.551 -7.001 1.00 0.00 H new ATOM 1533 N THR A 94 -5.099 6.309 -8.944 1.00 0.00 N ATOM 1534 CA THR A 94 -4.219 7.305 -8.250 1.00 0.00 C ATOM 1535 C THR A 94 -4.047 8.529 -9.150 1.00 0.00 C ATOM 1536 O THR A 94 -4.368 9.637 -8.769 1.00 0.00 O ATOM 1537 CB THR A 94 -2.851 6.678 -7.960 1.00 0.00 C ATOM 1538 OG1 THR A 94 -2.174 6.434 -9.184 1.00 0.00 O ATOM 1539 CG2 THR A 94 -3.039 5.360 -7.208 1.00 0.00 C ATOM 0 H THR A 94 -4.623 5.696 -9.606 1.00 0.00 H new ATOM 0 HA THR A 94 -4.676 7.604 -7.307 1.00 0.00 H new ATOM 0 HB THR A 94 -2.262 7.361 -7.348 1.00 0.00 H new ATOM 0 HG1 THR A 94 -2.765 5.944 -9.793 1.00 0.00 H new ATOM 0 HG21 THR A 94 -2.065 4.916 -7.003 1.00 0.00 H new ATOM 0 HG22 THR A 94 -3.557 5.548 -6.268 1.00 0.00 H new ATOM 0 HG23 THR A 94 -3.629 4.675 -7.817 1.00 0.00 H new ATOM 1547 N GLN A 95 -3.554 8.342 -10.341 1.00 0.00 N ATOM 1548 CA GLN A 95 -3.379 9.501 -11.258 1.00 0.00 C ATOM 1549 C GLN A 95 -4.707 10.252 -11.371 1.00 0.00 C ATOM 1550 O GLN A 95 -5.723 9.682 -11.719 1.00 0.00 O ATOM 1551 CB GLN A 95 -2.953 9.001 -12.640 1.00 0.00 C ATOM 1552 CG GLN A 95 -1.568 8.361 -12.545 1.00 0.00 C ATOM 1553 CD GLN A 95 -1.085 7.980 -13.946 1.00 0.00 C ATOM 1554 OE1 GLN A 95 0.101 7.879 -14.187 1.00 0.00 O ATOM 1555 NE2 GLN A 95 -1.962 7.764 -14.889 1.00 0.00 N ATOM 0 H GLN A 95 -3.265 7.440 -10.719 1.00 0.00 H new ATOM 0 HA GLN A 95 -2.611 10.168 -10.866 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -3.676 8.276 -13.015 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -2.935 9.829 -13.349 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -0.866 9.055 -12.083 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -1.607 7.477 -11.909 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -2.958 7.848 -14.688 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -1.651 7.511 -15.827 1.00 0.00 H new ATOM 1564 N ARG A 96 -4.714 11.524 -11.077 1.00 0.00 N ATOM 1565 CA ARG A 96 -5.983 12.300 -11.165 1.00 0.00 C ATOM 1566 C ARG A 96 -5.670 13.796 -11.113 1.00 0.00 C ATOM 1567 O ARG A 96 -5.140 14.292 -10.140 1.00 0.00 O ATOM 1568 CB ARG A 96 -6.890 11.925 -9.987 1.00 0.00 C ATOM 1569 CG ARG A 96 -8.282 12.601 -10.138 1.00 0.00 C ATOM 1570 CD ARG A 96 -9.393 11.596 -9.820 1.00 0.00 C ATOM 1571 NE ARG A 96 -9.205 11.063 -8.441 1.00 0.00 N ATOM 1572 CZ ARG A 96 -10.180 10.430 -7.849 1.00 0.00 C ATOM 1573 NH1 ARG A 96 -11.321 10.268 -8.462 1.00 0.00 N ATOM 1574 NH2 ARG A 96 -10.014 9.960 -6.643 1.00 0.00 N ATOM 0 H ARG A 96 -3.897 12.058 -10.780 1.00 0.00 H new ATOM 0 HA ARG A 96 -6.489 12.068 -12.102 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -7.008 10.842 -9.941 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -6.427 12.236 -9.050 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -8.353 13.458 -9.468 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -8.403 12.979 -11.153 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -10.368 12.077 -9.905 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -9.376 10.779 -10.542 1.00 0.00 H new ATOM 0 HE ARG A 96 -8.315 11.193 -7.960 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -11.451 10.636 -9.404 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -12.083 9.773 -7.999 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -9.123 10.088 -6.164 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -10.776 9.465 -6.179 1.00 0.00 H new ATOM 1588 N LYS A 97 -5.988 14.518 -12.156 1.00 0.00 N ATOM 1589 CA LYS A 97 -5.705 15.984 -12.173 1.00 0.00 C ATOM 1590 C LYS A 97 -4.217 16.219 -11.897 1.00 0.00 C ATOM 1591 O LYS A 97 -3.754 16.093 -10.781 1.00 0.00 O ATOM 1592 CB LYS A 97 -6.536 16.695 -11.097 1.00 0.00 C ATOM 1593 CG LYS A 97 -8.022 16.353 -11.263 1.00 0.00 C ATOM 1594 CD LYS A 97 -8.552 16.921 -12.587 1.00 0.00 C ATOM 1595 CE LYS A 97 -10.081 17.015 -12.536 1.00 0.00 C ATOM 1596 NZ LYS A 97 -10.583 17.633 -13.795 1.00 0.00 N ATOM 0 H LYS A 97 -6.433 14.154 -12.999 1.00 0.00 H new ATOM 0 HA LYS A 97 -5.969 16.384 -13.152 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -6.195 16.395 -10.106 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -6.393 17.773 -11.170 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -8.158 15.272 -11.242 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -8.592 16.762 -10.429 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -8.124 17.907 -12.768 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -8.245 16.283 -13.416 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -10.513 16.022 -12.408 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -10.391 17.610 -11.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -11.620 17.697 -13.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -10.181 18.586 -13.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -10.299 17.048 -14.606 1.00 0.00 H new ATOM 1610 N GLU A 98 -3.464 16.563 -12.906 1.00 0.00 N ATOM 1611 CA GLU A 98 -2.009 16.807 -12.698 1.00 0.00 C ATOM 1612 C GLU A 98 -1.824 18.072 -11.857 1.00 0.00 C ATOM 1613 O GLU A 98 -1.563 19.140 -12.373 1.00 0.00 O ATOM 1614 CB GLU A 98 -1.319 16.991 -14.052 1.00 0.00 C ATOM 1615 CG GLU A 98 -1.247 15.649 -14.787 1.00 0.00 C ATOM 1616 CD GLU A 98 -0.754 15.878 -16.217 1.00 0.00 C ATOM 1617 OE1 GLU A 98 0.195 16.627 -16.383 1.00 0.00 O ATOM 1618 OE2 GLU A 98 -1.335 15.302 -17.122 1.00 0.00 O ATOM 0 H GLU A 98 -3.793 16.685 -13.864 1.00 0.00 H new ATOM 0 HA GLU A 98 -1.568 15.954 -12.181 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -1.867 17.716 -14.654 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -0.315 17.391 -13.907 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -0.574 14.971 -14.263 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -2.229 15.176 -14.801 1.00 0.00 H new ATOM 1625 N PHE A 99 -1.956 17.959 -10.563 1.00 0.00 N ATOM 1626 CA PHE A 99 -1.787 19.154 -9.689 1.00 0.00 C ATOM 1627 C PHE A 99 -1.701 18.708 -8.228 1.00 0.00 C ATOM 1628 O PHE A 99 -2.673 18.157 -7.738 1.00 0.00 O ATOM 1629 CB PHE A 99 -2.986 20.089 -9.866 1.00 0.00 C ATOM 1630 CG PHE A 99 -2.819 21.297 -8.971 1.00 0.00 C ATOM 1631 CD1 PHE A 99 -2.101 22.412 -9.426 1.00 0.00 C ATOM 1632 CD2 PHE A 99 -3.380 21.303 -7.687 1.00 0.00 C ATOM 1633 CE1 PHE A 99 -1.946 23.531 -8.598 1.00 0.00 C ATOM 1634 CE2 PHE A 99 -3.225 22.422 -6.861 1.00 0.00 C ATOM 1635 CZ PHE A 99 -2.507 23.535 -7.315 1.00 0.00 C ATOM 1636 OXT PHE A 99 -0.663 18.924 -7.624 1.00 0.00 O ATOM 0 H PHE A 99 -2.174 17.091 -10.074 1.00 0.00 H new ATOM 0 HA PHE A 99 -0.872 19.679 -9.964 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -3.066 20.402 -10.907 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -3.909 19.565 -9.619 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -1.667 22.408 -10.415 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -3.932 20.444 -7.335 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -1.394 24.390 -8.949 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -3.660 22.427 -5.872 1.00 0.00 H new ATOM 0 HZ PHE A 99 -2.386 24.397 -6.675 1.00 0.00 H new TER 1646 PHE A 99