USER MOD reduce.3.24.130724 H: found=0, std=0, add=851, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 850 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 73 SER OG : rot 96:sc= 0.938 USER MOD Set 1.2: A 86 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0626) USER MOD Set 2.1: A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 23 TYR OH : rot 180:sc= 0.00329 USER MOD Set 3.2: A 29 ASN : amide:sc= -6.24! C(o=-6.2!,f=-7.1!) USER MOD Single : A 1 MET CE :methyl 172:sc= 0 (180deg=-0.0398) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 ASN : amide:sc= -1.85 K(o=-1.9,f=-2.8!) USER MOD Single : A 7 ASN : amide:sc= -0.0169 K(o=-0.017,f=-1.2!) USER MOD Single : A 9 LYS NZ :NH3+ 147:sc= -0.18 (180deg=-1.21) USER MOD Single : A 10 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 CYS SG : rot 68:sc= 1.27 USER MOD Single : A 19 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 20 GLN : amide:sc= -4.56! C(o=-4.6!,f=-12!) USER MOD Single : A 24 TYR OH : rot -80:sc= -0.522 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN :FLIP amide:sc= -0.729 F(o=-2.4,f=-0.73) USER MOD Single : A 52 MET CE :methyl -177:sc= -1.6 (180deg=-1.65) USER MOD Single : A 54 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.00113) USER MOD Single : A 56 ASN : amide:sc= -0.042 X(o=-0.042,f=0) USER MOD Single : A 59 ASN : amide:sc= -0.159 K(o=-0.16,f=-3.5!) USER MOD Single : A 62 THR OG1 : rot -90:sc= -3.49! USER MOD Single : A 63 THR OG1 : rot 180:sc= -1.31! USER MOD Single : A 66 ASN : amide:sc= -0.103 X(o=-0.1,f=-0.51) USER MOD Single : A 74 LYS NZ :NH3+ -156:sc= 0.977 (180deg=0.454) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl -157:sc= -3.94 (180deg=-6.54!) USER MOD Single : A 83 SER OG : rot -120:sc= -0.874 USER MOD Single : A 87 THR OG1 : rot -45:sc= 0.451 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 180:sc= -4.3! USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 THR OG1 : rot 38:sc= 0.151 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -25.347 -13.211 -1.268 1.00 0.00 N ATOM 2 CA MET A 1 -25.791 -14.205 -2.286 1.00 0.00 C ATOM 3 C MET A 1 -24.604 -14.648 -3.146 1.00 0.00 C ATOM 4 O MET A 1 -24.135 -15.764 -3.043 1.00 0.00 O ATOM 5 CB MET A 1 -26.823 -13.464 -3.139 1.00 0.00 C ATOM 6 CG MET A 1 -27.218 -14.335 -4.333 1.00 0.00 C ATOM 7 SD MET A 1 -28.544 -13.523 -5.259 1.00 0.00 S ATOM 8 CE MET A 1 -27.495 -12.421 -6.237 1.00 0.00 C ATOM 0 H1 MET A 1 -26.161 -12.918 -0.691 1.00 0.00 H new ATOM 0 H2 MET A 1 -24.625 -13.641 -0.655 1.00 0.00 H new ATOM 0 H3 MET A 1 -24.945 -12.380 -1.747 1.00 0.00 H new ATOM 0 HA MET A 1 -26.207 -15.104 -1.831 1.00 0.00 H new ATOM 0 HB2 MET A 1 -27.703 -13.228 -2.541 1.00 0.00 H new ATOM 0 HB3 MET A 1 -26.410 -12.517 -3.487 1.00 0.00 H new ATOM 0 HG2 MET A 1 -26.355 -14.498 -4.979 1.00 0.00 H new ATOM 0 HG3 MET A 1 -27.548 -15.315 -3.989 1.00 0.00 H new ATOM 0 HE1 MET A 1 -28.100 -11.917 -6.991 1.00 0.00 H new ATOM 0 HE2 MET A 1 -27.038 -11.678 -5.583 1.00 0.00 H new ATOM 0 HE3 MET A 1 -26.714 -13.002 -6.727 1.00 0.00 H new ATOM 20 N ALA A 2 -24.117 -13.784 -3.993 1.00 0.00 N ATOM 21 CA ALA A 2 -22.963 -14.159 -4.859 1.00 0.00 C ATOM 22 C ALA A 2 -22.140 -12.917 -5.214 1.00 0.00 C ATOM 23 O ALA A 2 -20.949 -12.862 -4.982 1.00 0.00 O ATOM 24 CB ALA A 2 -23.588 -14.765 -6.115 1.00 0.00 C ATOM 0 H ALA A 2 -24.468 -12.835 -4.123 1.00 0.00 H new ATOM 0 HA ALA A 2 -22.287 -14.856 -4.364 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -22.800 -15.067 -6.804 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -24.184 -15.636 -5.841 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -24.227 -14.025 -6.597 1.00 0.00 H new ATOM 30 N GLU A 3 -22.767 -11.919 -5.775 1.00 0.00 N ATOM 31 CA GLU A 3 -22.021 -10.682 -6.145 1.00 0.00 C ATOM 32 C GLU A 3 -21.574 -9.937 -4.884 1.00 0.00 C ATOM 33 O GLU A 3 -21.920 -8.791 -4.673 1.00 0.00 O ATOM 34 CB GLU A 3 -23.018 -9.841 -6.941 1.00 0.00 C ATOM 35 CG GLU A 3 -22.278 -9.081 -8.044 1.00 0.00 C ATOM 36 CD GLU A 3 -23.242 -8.784 -9.194 1.00 0.00 C ATOM 37 OE1 GLU A 3 -24.204 -8.070 -8.966 1.00 0.00 O ATOM 38 OE2 GLU A 3 -23.002 -9.277 -10.284 1.00 0.00 O ATOM 0 H GLU A 3 -23.763 -11.907 -5.993 1.00 0.00 H new ATOM 0 HA GLU A 3 -21.121 -10.899 -6.721 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -23.784 -10.482 -7.377 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -23.528 -9.140 -6.280 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -21.870 -8.151 -7.648 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -21.436 -9.671 -8.405 1.00 0.00 H new ATOM 45 N ASN A 4 -20.808 -10.578 -4.044 1.00 0.00 N ATOM 46 CA ASN A 4 -20.341 -9.903 -2.798 1.00 0.00 C ATOM 47 C ASN A 4 -19.115 -10.625 -2.234 1.00 0.00 C ATOM 48 O ASN A 4 -18.047 -10.057 -2.117 1.00 0.00 O ATOM 49 CB ASN A 4 -21.518 -10.006 -1.827 1.00 0.00 C ATOM 50 CG ASN A 4 -22.389 -8.754 -1.947 1.00 0.00 C ATOM 51 OD1 ASN A 4 -23.366 -8.746 -2.669 1.00 0.00 O ATOM 52 ND2 ASN A 4 -22.074 -7.687 -1.265 1.00 0.00 N ATOM 0 H ASN A 4 -20.485 -11.538 -4.165 1.00 0.00 H new ATOM 0 HA ASN A 4 -20.047 -8.868 -2.974 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -22.108 -10.895 -2.047 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -21.152 -10.111 -0.806 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -22.648 -6.847 -1.338 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -21.254 -7.693 -0.659 1.00 0.00 H new ATOM 59 N GLY A 5 -19.259 -11.874 -1.883 1.00 0.00 N ATOM 60 CA GLY A 5 -18.100 -12.629 -1.327 1.00 0.00 C ATOM 61 C GLY A 5 -17.665 -11.998 -0.004 1.00 0.00 C ATOM 62 O GLY A 5 -17.960 -12.501 1.061 1.00 0.00 O ATOM 0 H GLY A 5 -20.128 -12.404 -1.957 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -18.374 -13.673 -1.171 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -17.272 -12.619 -2.036 1.00 0.00 H new ATOM 66 N ASP A 6 -16.966 -10.897 -0.063 1.00 0.00 N ATOM 67 CA ASP A 6 -16.513 -10.232 1.193 1.00 0.00 C ATOM 68 C ASP A 6 -15.734 -8.956 0.865 1.00 0.00 C ATOM 69 O ASP A 6 -14.595 -9.002 0.444 1.00 0.00 O ATOM 70 CB ASP A 6 -15.602 -11.255 1.875 1.00 0.00 C ATOM 71 CG ASP A 6 -14.629 -11.837 0.848 1.00 0.00 C ATOM 72 OD1 ASP A 6 -15.048 -12.685 0.077 1.00 0.00 O ATOM 73 OD2 ASP A 6 -13.481 -11.426 0.850 1.00 0.00 O ATOM 0 H ASP A 6 -16.689 -10.429 -0.926 1.00 0.00 H new ATOM 0 HA ASP A 6 -17.348 -9.939 1.830 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -15.050 -10.782 2.687 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -16.200 -12.052 2.318 1.00 0.00 H new ATOM 78 N ASN A 7 -16.340 -7.815 1.055 1.00 0.00 N ATOM 79 CA ASN A 7 -15.634 -6.536 0.754 1.00 0.00 C ATOM 80 C ASN A 7 -15.080 -5.922 2.042 1.00 0.00 C ATOM 81 O ASN A 7 -14.321 -4.973 2.012 1.00 0.00 O ATOM 82 CB ASN A 7 -16.703 -5.629 0.142 1.00 0.00 C ATOM 83 CG ASN A 7 -17.908 -5.556 1.083 1.00 0.00 C ATOM 84 OD1 ASN A 7 -18.823 -6.349 0.980 1.00 0.00 O ATOM 85 ND2 ASN A 7 -17.948 -4.630 2.002 1.00 0.00 N ATOM 0 H ASN A 7 -17.293 -7.713 1.405 1.00 0.00 H new ATOM 0 HA ASN A 7 -14.788 -6.679 0.082 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -16.297 -4.631 -0.025 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -17.010 -6.015 -0.830 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -18.747 -4.572 2.633 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -17.180 -3.964 2.089 1.00 0.00 H new ATOM 92 N GLU A 8 -15.455 -6.453 3.173 1.00 0.00 N ATOM 93 CA GLU A 8 -14.949 -5.898 4.462 1.00 0.00 C ATOM 94 C GLU A 8 -13.443 -6.140 4.590 1.00 0.00 C ATOM 95 O GLU A 8 -12.682 -5.240 4.887 1.00 0.00 O ATOM 96 CB GLU A 8 -15.710 -6.659 5.547 1.00 0.00 C ATOM 97 CG GLU A 8 -17.119 -6.080 5.683 1.00 0.00 C ATOM 98 CD GLU A 8 -18.079 -7.176 6.151 1.00 0.00 C ATOM 99 OE1 GLU A 8 -17.652 -8.314 6.236 1.00 0.00 O ATOM 100 OE2 GLU A 8 -19.226 -6.855 6.417 1.00 0.00 O ATOM 0 H GLU A 8 -16.089 -7.247 3.261 1.00 0.00 H new ATOM 0 HA GLU A 8 -15.103 -4.821 4.536 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -15.763 -7.718 5.294 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -15.181 -6.584 6.497 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -17.117 -5.255 6.395 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -17.451 -5.675 4.727 1.00 0.00 H new ATOM 107 N LYS A 9 -13.006 -7.349 4.368 1.00 0.00 N ATOM 108 CA LYS A 9 -11.549 -7.648 4.477 1.00 0.00 C ATOM 109 C LYS A 9 -10.748 -6.725 3.555 1.00 0.00 C ATOM 110 O LYS A 9 -9.760 -6.140 3.952 1.00 0.00 O ATOM 111 CB LYS A 9 -11.410 -9.104 4.031 1.00 0.00 C ATOM 112 CG LYS A 9 -10.097 -9.680 4.561 1.00 0.00 C ATOM 113 CD LYS A 9 -10.257 -11.182 4.805 1.00 0.00 C ATOM 114 CE LYS A 9 -10.645 -11.874 3.496 1.00 0.00 C ATOM 115 NZ LYS A 9 -9.533 -11.568 2.554 1.00 0.00 N ATOM 0 H LYS A 9 -13.594 -8.143 4.116 1.00 0.00 H new ATOM 0 HA LYS A 9 -11.170 -7.493 5.487 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -12.251 -9.690 4.401 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -11.433 -9.165 2.943 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -9.295 -9.501 3.845 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -9.816 -9.179 5.487 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -9.326 -11.600 5.188 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -11.021 -11.359 5.562 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -10.759 -12.949 3.636 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -11.596 -11.499 3.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -9.399 -12.368 1.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -9.765 -10.714 2.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -8.657 -11.408 3.091 1.00 0.00 H new ATOM 129 N MET A 10 -11.166 -6.591 2.326 1.00 0.00 N ATOM 130 CA MET A 10 -10.427 -5.707 1.378 1.00 0.00 C ATOM 131 C MET A 10 -10.630 -4.238 1.750 1.00 0.00 C ATOM 132 O MET A 10 -9.734 -3.427 1.629 1.00 0.00 O ATOM 133 CB MET A 10 -11.034 -6.002 0.005 1.00 0.00 C ATOM 134 CG MET A 10 -10.095 -6.918 -0.782 1.00 0.00 C ATOM 135 SD MET A 10 -9.358 -5.994 -2.152 1.00 0.00 S ATOM 136 CE MET A 10 -9.366 -7.339 -3.363 1.00 0.00 C ATOM 0 H MET A 10 -11.987 -7.055 1.937 1.00 0.00 H new ATOM 0 HA MET A 10 -9.353 -5.891 1.398 1.00 0.00 H new ATOM 0 HB2 MET A 10 -12.009 -6.476 0.121 1.00 0.00 H new ATOM 0 HB3 MET A 10 -11.194 -5.072 -0.541 1.00 0.00 H new ATOM 0 HG2 MET A 10 -9.313 -7.304 -0.128 1.00 0.00 H new ATOM 0 HG3 MET A 10 -10.645 -7.778 -1.164 1.00 0.00 H new ATOM 0 HE1 MET A 10 -8.945 -6.984 -4.304 1.00 0.00 H new ATOM 0 HE2 MET A 10 -8.768 -8.170 -2.988 1.00 0.00 H new ATOM 0 HE3 MET A 10 -10.390 -7.675 -3.527 1.00 0.00 H new ATOM 146 N ALA A 11 -11.801 -3.890 2.201 1.00 0.00 N ATOM 147 CA ALA A 11 -12.059 -2.472 2.580 1.00 0.00 C ATOM 148 C ALA A 11 -11.077 -2.035 3.669 1.00 0.00 C ATOM 149 O ALA A 11 -10.406 -1.029 3.546 1.00 0.00 O ATOM 150 CB ALA A 11 -13.493 -2.458 3.111 1.00 0.00 C ATOM 0 H ALA A 11 -12.591 -4.524 2.324 1.00 0.00 H new ATOM 0 HA ALA A 11 -11.931 -1.788 1.741 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -13.760 -1.445 3.412 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -14.174 -2.795 2.329 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -13.569 -3.124 3.971 1.00 0.00 H new ATOM 156 N ALA A 12 -10.982 -2.787 4.730 1.00 0.00 N ATOM 157 CA ALA A 12 -10.036 -2.419 5.822 1.00 0.00 C ATOM 158 C ALA A 12 -8.593 -2.641 5.360 1.00 0.00 C ATOM 159 O ALA A 12 -7.689 -1.932 5.754 1.00 0.00 O ATOM 160 CB ALA A 12 -10.380 -3.359 6.978 1.00 0.00 C ATOM 0 H ALA A 12 -11.518 -3.640 4.889 1.00 0.00 H new ATOM 0 HA ALA A 12 -10.122 -1.372 6.111 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -9.725 -3.151 7.824 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -11.417 -3.205 7.276 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -10.244 -4.392 6.660 1.00 0.00 H new ATOM 166 N LEU A 13 -8.373 -3.623 4.529 1.00 0.00 N ATOM 167 CA LEU A 13 -6.990 -3.897 4.041 1.00 0.00 C ATOM 168 C LEU A 13 -6.492 -2.741 3.168 1.00 0.00 C ATOM 169 O LEU A 13 -5.356 -2.322 3.267 1.00 0.00 O ATOM 170 CB LEU A 13 -7.109 -5.178 3.217 1.00 0.00 C ATOM 171 CG LEU A 13 -5.713 -5.662 2.823 1.00 0.00 C ATOM 172 CD1 LEU A 13 -5.347 -6.899 3.647 1.00 0.00 C ATOM 173 CD2 LEU A 13 -5.701 -6.020 1.335 1.00 0.00 C ATOM 0 H LEU A 13 -9.092 -4.249 4.166 1.00 0.00 H new ATOM 0 HA LEU A 13 -6.278 -4.002 4.860 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -7.623 -5.947 3.793 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -7.707 -4.995 2.325 1.00 0.00 H new ATOM 0 HG LEU A 13 -4.987 -4.872 3.015 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -4.352 -7.243 3.365 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -5.357 -6.646 4.707 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -6.072 -7.691 3.456 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -4.707 -6.365 1.052 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -6.427 -6.810 1.145 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -5.960 -5.140 0.747 1.00 0.00 H new ATOM 185 N GLU A 14 -7.330 -2.227 2.310 1.00 0.00 N ATOM 186 CA GLU A 14 -6.899 -1.103 1.429 1.00 0.00 C ATOM 187 C GLU A 14 -6.466 0.098 2.274 1.00 0.00 C ATOM 188 O GLU A 14 -5.439 0.701 2.033 1.00 0.00 O ATOM 189 CB GLU A 14 -8.133 -0.754 0.599 1.00 0.00 C ATOM 190 CG GLU A 14 -7.777 0.334 -0.415 1.00 0.00 C ATOM 191 CD GLU A 14 -8.700 1.539 -0.217 1.00 0.00 C ATOM 192 OE1 GLU A 14 -9.876 1.326 0.029 1.00 0.00 O ATOM 193 OE2 GLU A 14 -8.214 2.654 -0.315 1.00 0.00 O ATOM 0 H GLU A 14 -8.293 -2.536 2.180 1.00 0.00 H new ATOM 0 HA GLU A 14 -6.049 -1.374 0.803 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -8.499 -1.641 0.082 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -8.937 -0.410 1.250 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -6.737 0.635 -0.291 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -7.878 -0.052 -1.429 1.00 0.00 H new ATOM 200 N ALA A 15 -7.240 0.447 3.263 1.00 0.00 N ATOM 201 CA ALA A 15 -6.874 1.607 4.122 1.00 0.00 C ATOM 202 C ALA A 15 -5.710 1.232 5.044 1.00 0.00 C ATOM 203 O ALA A 15 -4.827 2.026 5.300 1.00 0.00 O ATOM 204 CB ALA A 15 -8.132 1.906 4.936 1.00 0.00 C ATOM 0 H ALA A 15 -8.111 -0.021 3.514 1.00 0.00 H new ATOM 0 HA ALA A 15 -6.552 2.471 3.540 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -7.945 2.752 5.597 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -8.953 2.148 4.261 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -8.397 1.032 5.531 1.00 0.00 H new ATOM 210 N LYS A 16 -5.701 0.025 5.541 1.00 0.00 N ATOM 211 CA LYS A 16 -4.593 -0.401 6.442 1.00 0.00 C ATOM 212 C LYS A 16 -3.248 -0.255 5.726 1.00 0.00 C ATOM 213 O LYS A 16 -2.278 0.209 6.291 1.00 0.00 O ATOM 214 CB LYS A 16 -4.878 -1.871 6.751 1.00 0.00 C ATOM 215 CG LYS A 16 -5.488 -1.991 8.150 1.00 0.00 C ATOM 216 CD LYS A 16 -5.617 -3.468 8.524 1.00 0.00 C ATOM 217 CE LYS A 16 -6.870 -3.671 9.380 1.00 0.00 C ATOM 218 NZ LYS A 16 -6.540 -4.814 10.275 1.00 0.00 N ATOM 0 H LYS A 16 -6.412 -0.684 5.362 1.00 0.00 H new ATOM 0 HA LYS A 16 -4.540 0.203 7.348 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -5.561 -2.284 6.009 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -3.957 -2.451 6.694 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -4.862 -1.474 8.877 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -6.467 -1.512 8.174 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -5.677 -4.078 7.623 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -4.733 -3.794 9.072 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -7.106 -2.775 9.954 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -7.740 -3.892 8.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -7.351 -5.015 10.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -6.326 -5.654 9.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -5.712 -4.572 10.856 1.00 0.00 H new ATOM 232 N ILE A 17 -3.183 -0.647 4.482 1.00 0.00 N ATOM 233 CA ILE A 17 -1.902 -0.530 3.728 1.00 0.00 C ATOM 234 C ILE A 17 -1.538 0.944 3.533 1.00 0.00 C ATOM 235 O ILE A 17 -0.394 1.334 3.664 1.00 0.00 O ATOM 236 CB ILE A 17 -2.175 -1.195 2.380 1.00 0.00 C ATOM 237 CG1 ILE A 17 -2.385 -2.695 2.586 1.00 0.00 C ATOM 238 CG2 ILE A 17 -0.983 -0.972 1.447 1.00 0.00 C ATOM 239 CD1 ILE A 17 -2.961 -3.310 1.311 1.00 0.00 C ATOM 0 H ILE A 17 -3.962 -1.043 3.955 1.00 0.00 H new ATOM 0 HA ILE A 17 -1.069 -0.998 4.253 1.00 0.00 H new ATOM 0 HB ILE A 17 -3.070 -0.759 1.936 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -1.439 -3.174 2.838 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -3.062 -2.866 3.423 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -1.179 -1.447 0.486 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -0.832 0.097 1.299 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -0.087 -1.407 1.890 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -3.111 -4.380 1.458 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -3.916 -2.839 1.079 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -2.268 -3.151 0.485 1.00 0.00 H new ATOM 251 N CYS A 18 -2.502 1.765 3.222 1.00 0.00 N ATOM 252 CA CYS A 18 -2.211 3.213 3.019 1.00 0.00 C ATOM 253 C CYS A 18 -1.599 3.812 4.287 1.00 0.00 C ATOM 254 O CYS A 18 -0.647 4.564 4.234 1.00 0.00 O ATOM 255 CB CYS A 18 -3.569 3.852 2.724 1.00 0.00 C ATOM 256 SG CYS A 18 -4.241 3.158 1.195 1.00 0.00 S ATOM 0 H CYS A 18 -3.478 1.497 3.100 1.00 0.00 H new ATOM 0 HA CYS A 18 -1.497 3.382 2.213 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -4.256 3.671 3.551 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -3.462 4.933 2.629 1.00 0.00 H new ATOM 0 HG CYS A 18 -4.549 1.909 1.384 1.00 0.00 H new ATOM 262 N HIS A 19 -2.138 3.482 5.430 1.00 0.00 N ATOM 263 CA HIS A 19 -1.585 4.032 6.701 1.00 0.00 C ATOM 264 C HIS A 19 -0.114 3.636 6.849 1.00 0.00 C ATOM 265 O HIS A 19 0.696 4.401 7.333 1.00 0.00 O ATOM 266 CB HIS A 19 -2.427 3.403 7.810 1.00 0.00 C ATOM 267 CG HIS A 19 -3.498 4.369 8.238 1.00 0.00 C ATOM 268 ND1 HIS A 19 -3.341 5.211 9.329 1.00 0.00 N ATOM 269 CD2 HIS A 19 -4.746 4.638 7.734 1.00 0.00 C ATOM 270 CE1 HIS A 19 -4.466 5.939 9.444 1.00 0.00 C ATOM 271 NE2 HIS A 19 -5.356 5.630 8.496 1.00 0.00 N ATOM 0 H HIS A 19 -2.936 2.856 5.538 1.00 0.00 H new ATOM 0 HA HIS A 19 -1.626 5.121 6.732 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -2.879 2.476 7.457 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -1.794 3.145 8.659 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -5.188 4.153 6.876 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -4.630 6.683 10.209 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -6.283 6.034 8.360 1.00 0.00 H new ATOM 279 N GLN A 20 0.241 2.451 6.433 1.00 0.00 N ATOM 280 CA GLN A 20 1.664 2.027 6.550 1.00 0.00 C ATOM 281 C GLN A 20 2.534 2.938 5.684 1.00 0.00 C ATOM 282 O GLN A 20 3.532 3.476 6.131 1.00 0.00 O ATOM 283 CB GLN A 20 1.698 0.590 6.031 1.00 0.00 C ATOM 284 CG GLN A 20 0.996 -0.330 7.031 1.00 0.00 C ATOM 285 CD GLN A 20 0.868 -1.733 6.433 1.00 0.00 C ATOM 286 OE1 GLN A 20 1.192 -1.947 5.281 1.00 0.00 O ATOM 287 NE2 GLN A 20 0.405 -2.704 7.171 1.00 0.00 N ATOM 0 H GLN A 20 -0.388 1.763 6.020 1.00 0.00 H new ATOM 0 HA GLN A 20 2.041 2.089 7.571 1.00 0.00 H new ATOM 0 HB2 GLN A 20 1.207 0.531 5.060 1.00 0.00 H new ATOM 0 HB3 GLN A 20 2.729 0.268 5.887 1.00 0.00 H new ATOM 0 HG2 GLN A 20 1.561 -0.370 7.962 1.00 0.00 H new ATOM 0 HG3 GLN A 20 0.009 0.065 7.274 1.00 0.00 H new ATOM 0 HE21 GLN A 20 0.133 -2.525 8.138 1.00 0.00 H new ATOM 0 HE22 GLN A 20 0.315 -3.642 6.781 1.00 0.00 H new ATOM 296 N ILE A 21 2.146 3.146 4.455 1.00 0.00 N ATOM 297 CA ILE A 21 2.939 4.047 3.577 1.00 0.00 C ATOM 298 C ILE A 21 3.015 5.419 4.240 1.00 0.00 C ATOM 299 O ILE A 21 4.016 6.104 4.177 1.00 0.00 O ATOM 300 CB ILE A 21 2.163 4.121 2.265 1.00 0.00 C ATOM 301 CG1 ILE A 21 2.055 2.721 1.657 1.00 0.00 C ATOM 302 CG2 ILE A 21 2.902 5.042 1.294 1.00 0.00 C ATOM 303 CD1 ILE A 21 3.457 2.168 1.395 1.00 0.00 C ATOM 0 H ILE A 21 1.319 2.733 4.025 1.00 0.00 H new ATOM 0 HA ILE A 21 3.957 3.696 3.407 1.00 0.00 H new ATOM 0 HB ILE A 21 1.163 4.513 2.452 1.00 0.00 H new ATOM 0 HG12 ILE A 21 1.513 2.060 2.333 1.00 0.00 H new ATOM 0 HG13 ILE A 21 1.488 2.760 0.727 1.00 0.00 H new ATOM 0 HG21 ILE A 21 2.351 5.098 0.355 1.00 0.00 H new ATOM 0 HG22 ILE A 21 2.982 6.039 1.728 1.00 0.00 H new ATOM 0 HG23 ILE A 21 3.900 4.647 1.106 1.00 0.00 H new ATOM 0 HD11 ILE A 21 3.380 1.171 0.962 1.00 0.00 H new ATOM 0 HD12 ILE A 21 3.984 2.825 0.702 1.00 0.00 H new ATOM 0 HD13 ILE A 21 4.008 2.114 2.334 1.00 0.00 H new ATOM 315 N GLU A 22 1.958 5.807 4.893 1.00 0.00 N ATOM 316 CA GLU A 22 1.943 7.119 5.592 1.00 0.00 C ATOM 317 C GLU A 22 3.051 7.155 6.648 1.00 0.00 C ATOM 318 O GLU A 22 3.643 8.181 6.906 1.00 0.00 O ATOM 319 CB GLU A 22 0.567 7.201 6.254 1.00 0.00 C ATOM 320 CG GLU A 22 -0.386 7.987 5.353 1.00 0.00 C ATOM 321 CD GLU A 22 -1.323 8.834 6.216 1.00 0.00 C ATOM 322 OE1 GLU A 22 -1.227 8.740 7.429 1.00 0.00 O ATOM 323 OE2 GLU A 22 -2.123 9.561 5.650 1.00 0.00 O ATOM 0 H GLU A 22 1.097 5.267 4.973 1.00 0.00 H new ATOM 0 HA GLU A 22 2.115 7.955 4.915 1.00 0.00 H new ATOM 0 HB2 GLU A 22 0.176 6.199 6.429 1.00 0.00 H new ATOM 0 HB3 GLU A 22 0.648 7.686 7.227 1.00 0.00 H new ATOM 0 HG2 GLU A 22 0.181 8.627 4.677 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -0.965 7.302 4.733 1.00 0.00 H new ATOM 330 N TYR A 23 3.325 6.045 7.275 1.00 0.00 N ATOM 331 CA TYR A 23 4.385 6.029 8.323 1.00 0.00 C ATOM 332 C TYR A 23 5.753 6.393 7.725 1.00 0.00 C ATOM 333 O TYR A 23 6.486 7.179 8.290 1.00 0.00 O ATOM 334 CB TYR A 23 4.384 4.596 8.864 1.00 0.00 C ATOM 335 CG TYR A 23 5.781 4.202 9.284 1.00 0.00 C ATOM 336 CD1 TYR A 23 6.558 5.080 10.051 1.00 0.00 C ATOM 337 CD2 TYR A 23 6.298 2.960 8.903 1.00 0.00 C ATOM 338 CE1 TYR A 23 7.853 4.714 10.435 1.00 0.00 C ATOM 339 CE2 TYR A 23 7.593 2.593 9.288 1.00 0.00 C ATOM 340 CZ TYR A 23 8.371 3.470 10.054 1.00 0.00 C ATOM 341 OH TYR A 23 9.648 3.110 10.432 1.00 0.00 O ATOM 0 H TYR A 23 2.863 5.151 7.108 1.00 0.00 H new ATOM 0 HA TYR A 23 4.195 6.760 9.109 1.00 0.00 H new ATOM 0 HB2 TYR A 23 3.705 4.519 9.713 1.00 0.00 H new ATOM 0 HB3 TYR A 23 4.018 3.910 8.100 1.00 0.00 H new ATOM 0 HD1 TYR A 23 6.158 6.039 10.346 1.00 0.00 H new ATOM 0 HD2 TYR A 23 5.698 2.284 8.312 1.00 0.00 H new ATOM 0 HE1 TYR A 23 8.453 5.391 11.025 1.00 0.00 H new ATOM 0 HE2 TYR A 23 7.992 1.633 8.994 1.00 0.00 H new ATOM 0 HH TYR A 23 9.852 2.216 10.086 1.00 0.00 H new ATOM 351 N TYR A 24 6.114 5.837 6.595 1.00 0.00 N ATOM 352 CA TYR A 24 7.449 6.188 6.007 1.00 0.00 C ATOM 353 C TYR A 24 7.396 7.551 5.313 1.00 0.00 C ATOM 354 O TYR A 24 8.329 8.327 5.374 1.00 0.00 O ATOM 355 CB TYR A 24 7.795 5.111 4.971 1.00 0.00 C ATOM 356 CG TYR A 24 7.069 3.825 5.263 1.00 0.00 C ATOM 357 CD1 TYR A 24 7.573 2.928 6.210 1.00 0.00 C ATOM 358 CD2 TYR A 24 5.900 3.527 4.567 1.00 0.00 C ATOM 359 CE1 TYR A 24 6.898 1.728 6.462 1.00 0.00 C ATOM 360 CE2 TYR A 24 5.223 2.333 4.817 1.00 0.00 C ATOM 361 CZ TYR A 24 5.721 1.430 5.764 1.00 0.00 C ATOM 362 OH TYR A 24 5.053 0.248 6.010 1.00 0.00 O ATOM 0 H TYR A 24 5.558 5.169 6.062 1.00 0.00 H new ATOM 0 HA TYR A 24 8.198 6.237 6.797 1.00 0.00 H new ATOM 0 HB2 TYR A 24 7.531 5.463 3.974 1.00 0.00 H new ATOM 0 HB3 TYR A 24 8.870 4.933 4.972 1.00 0.00 H new ATOM 0 HD1 TYR A 24 8.481 3.161 6.746 1.00 0.00 H new ATOM 0 HD2 TYR A 24 5.517 4.221 3.833 1.00 0.00 H new ATOM 0 HE1 TYR A 24 7.284 1.033 7.193 1.00 0.00 H new ATOM 0 HE2 TYR A 24 4.314 2.105 4.280 1.00 0.00 H new ATOM 0 HH TYR A 24 5.493 -0.483 5.528 1.00 0.00 H new ATOM 372 N PHE A 25 6.325 7.836 4.624 1.00 0.00 N ATOM 373 CA PHE A 25 6.238 9.139 3.895 1.00 0.00 C ATOM 374 C PHE A 25 5.408 10.169 4.666 1.00 0.00 C ATOM 375 O PHE A 25 5.510 11.353 4.423 1.00 0.00 O ATOM 376 CB PHE A 25 5.557 8.799 2.569 1.00 0.00 C ATOM 377 CG PHE A 25 6.400 7.798 1.815 1.00 0.00 C ATOM 378 CD1 PHE A 25 7.665 8.163 1.344 1.00 0.00 C ATOM 379 CD2 PHE A 25 5.912 6.506 1.586 1.00 0.00 C ATOM 380 CE1 PHE A 25 8.446 7.235 0.644 1.00 0.00 C ATOM 381 CE2 PHE A 25 6.693 5.578 0.887 1.00 0.00 C ATOM 382 CZ PHE A 25 7.959 5.943 0.415 1.00 0.00 C ATOM 0 H PHE A 25 5.510 7.229 4.533 1.00 0.00 H new ATOM 0 HA PHE A 25 7.224 9.585 3.764 1.00 0.00 H new ATOM 0 HB2 PHE A 25 4.563 8.390 2.752 1.00 0.00 H new ATOM 0 HB3 PHE A 25 5.425 9.702 1.973 1.00 0.00 H new ATOM 0 HD1 PHE A 25 8.040 9.161 1.520 1.00 0.00 H new ATOM 0 HD2 PHE A 25 4.934 6.225 1.948 1.00 0.00 H new ATOM 0 HE1 PHE A 25 9.424 7.516 0.281 1.00 0.00 H new ATOM 0 HE2 PHE A 25 6.319 4.580 0.712 1.00 0.00 H new ATOM 0 HZ PHE A 25 8.560 5.227 -0.126 1.00 0.00 H new ATOM 392 N GLY A 26 4.563 9.733 5.558 1.00 0.00 N ATOM 393 CA GLY A 26 3.691 10.684 6.322 1.00 0.00 C ATOM 394 C GLY A 26 4.502 11.843 6.924 1.00 0.00 C ATOM 395 O GLY A 26 4.281 12.240 8.051 1.00 0.00 O ATOM 0 H GLY A 26 4.434 8.750 5.796 1.00 0.00 H new ATOM 0 HA2 GLY A 26 2.922 11.083 5.661 1.00 0.00 H new ATOM 0 HA3 GLY A 26 3.178 10.146 7.119 1.00 0.00 H new ATOM 399 N ASP A 27 5.411 12.409 6.182 1.00 0.00 N ATOM 400 CA ASP A 27 6.207 13.563 6.700 1.00 0.00 C ATOM 401 C ASP A 27 7.046 13.189 7.931 1.00 0.00 C ATOM 402 O ASP A 27 8.008 13.857 8.246 1.00 0.00 O ATOM 403 CB ASP A 27 5.160 14.612 7.076 1.00 0.00 C ATOM 404 CG ASP A 27 4.139 14.742 5.943 1.00 0.00 C ATOM 405 OD1 ASP A 27 4.556 14.797 4.798 1.00 0.00 O ATOM 406 OD2 ASP A 27 2.957 14.786 6.241 1.00 0.00 O ATOM 0 H ASP A 27 5.641 12.122 5.231 1.00 0.00 H new ATOM 0 HA ASP A 27 6.921 13.914 5.955 1.00 0.00 H new ATOM 0 HB2 ASP A 27 4.659 14.326 8.001 1.00 0.00 H new ATOM 0 HB3 ASP A 27 5.641 15.573 7.258 1.00 0.00 H new ATOM 411 N PHE A 28 6.697 12.154 8.644 1.00 0.00 N ATOM 412 CA PHE A 28 7.493 11.796 9.855 1.00 0.00 C ATOM 413 C PHE A 28 8.764 11.027 9.483 1.00 0.00 C ATOM 414 O PHE A 28 9.842 11.322 9.958 1.00 0.00 O ATOM 415 CB PHE A 28 6.564 10.915 10.691 1.00 0.00 C ATOM 416 CG PHE A 28 7.356 10.256 11.796 1.00 0.00 C ATOM 417 CD1 PHE A 28 8.271 11.006 12.545 1.00 0.00 C ATOM 418 CD2 PHE A 28 7.174 8.896 12.072 1.00 0.00 C ATOM 419 CE1 PHE A 28 9.005 10.395 13.569 1.00 0.00 C ATOM 420 CE2 PHE A 28 7.907 8.284 13.096 1.00 0.00 C ATOM 421 CZ PHE A 28 8.822 9.034 13.844 1.00 0.00 C ATOM 0 H PHE A 28 5.903 11.545 8.445 1.00 0.00 H new ATOM 0 HA PHE A 28 7.823 12.685 10.393 1.00 0.00 H new ATOM 0 HB2 PHE A 28 5.759 11.516 11.114 1.00 0.00 H new ATOM 0 HB3 PHE A 28 6.099 10.157 10.061 1.00 0.00 H new ATOM 0 HD1 PHE A 28 8.411 12.056 12.333 1.00 0.00 H new ATOM 0 HD2 PHE A 28 6.468 8.318 11.495 1.00 0.00 H new ATOM 0 HE1 PHE A 28 9.712 10.973 14.146 1.00 0.00 H new ATOM 0 HE2 PHE A 28 7.767 7.234 13.308 1.00 0.00 H new ATOM 0 HZ PHE A 28 9.388 8.563 14.634 1.00 0.00 H new ATOM 431 N ASN A 29 8.640 10.027 8.661 1.00 0.00 N ATOM 432 CA ASN A 29 9.833 9.212 8.278 1.00 0.00 C ATOM 433 C ASN A 29 10.707 9.914 7.229 1.00 0.00 C ATOM 434 O ASN A 29 11.907 9.747 7.208 1.00 0.00 O ATOM 435 CB ASN A 29 9.253 7.922 7.706 1.00 0.00 C ATOM 436 CG ASN A 29 9.452 6.784 8.707 1.00 0.00 C ATOM 437 OD1 ASN A 29 9.335 6.982 9.901 1.00 0.00 O ATOM 438 ND2 ASN A 29 9.748 5.591 8.270 1.00 0.00 N ATOM 0 H ASN A 29 7.762 9.734 8.233 1.00 0.00 H new ATOM 0 HA ASN A 29 10.484 9.044 9.136 1.00 0.00 H new ATOM 0 HB2 ASN A 29 8.192 8.051 7.493 1.00 0.00 H new ATOM 0 HB3 ASN A 29 9.741 7.679 6.762 1.00 0.00 H new ATOM 0 HD21 ASN A 29 9.881 4.825 8.930 1.00 0.00 H new ATOM 0 HD22 ASN A 29 9.846 5.425 7.268 1.00 0.00 H new ATOM 445 N LEU A 30 10.118 10.660 6.337 1.00 0.00 N ATOM 446 CA LEU A 30 10.928 11.322 5.266 1.00 0.00 C ATOM 447 C LEU A 30 12.018 12.237 5.844 1.00 0.00 C ATOM 448 O LEU A 30 13.131 12.247 5.358 1.00 0.00 O ATOM 449 CB LEU A 30 9.917 12.140 4.465 1.00 0.00 C ATOM 450 CG LEU A 30 9.441 11.323 3.263 1.00 0.00 C ATOM 451 CD1 LEU A 30 8.093 11.859 2.780 1.00 0.00 C ATOM 452 CD2 LEU A 30 10.467 11.433 2.133 1.00 0.00 C ATOM 0 H LEU A 30 9.115 10.842 6.299 1.00 0.00 H new ATOM 0 HA LEU A 30 11.455 10.585 4.660 1.00 0.00 H new ATOM 0 HB2 LEU A 30 9.069 12.408 5.095 1.00 0.00 H new ATOM 0 HB3 LEU A 30 10.372 13.072 4.128 1.00 0.00 H new ATOM 0 HG LEU A 30 9.332 10.279 3.556 1.00 0.00 H new ATOM 0 HD11 LEU A 30 7.755 11.276 1.923 1.00 0.00 H new ATOM 0 HD12 LEU A 30 7.361 11.780 3.584 1.00 0.00 H new ATOM 0 HD13 LEU A 30 8.200 12.904 2.488 1.00 0.00 H new ATOM 0 HD21 LEU A 30 10.128 10.851 1.276 1.00 0.00 H new ATOM 0 HD22 LEU A 30 10.577 12.478 1.842 1.00 0.00 H new ATOM 0 HD23 LEU A 30 11.428 11.049 2.475 1.00 0.00 H new ATOM 464 N PRO A 31 11.667 12.987 6.850 1.00 0.00 N ATOM 465 CA PRO A 31 12.640 13.922 7.475 1.00 0.00 C ATOM 466 C PRO A 31 13.870 13.177 8.006 1.00 0.00 C ATOM 467 O PRO A 31 14.887 13.777 8.292 1.00 0.00 O ATOM 468 CB PRO A 31 11.861 14.554 8.627 1.00 0.00 C ATOM 469 CG PRO A 31 10.419 14.290 8.332 1.00 0.00 C ATOM 470 CD PRO A 31 10.354 13.045 7.490 1.00 0.00 C ATOM 0 HA PRO A 31 13.019 14.655 6.763 1.00 0.00 H new ATOM 0 HB2 PRO A 31 12.152 14.117 9.582 1.00 0.00 H new ATOM 0 HB3 PRO A 31 12.058 15.624 8.693 1.00 0.00 H new ATOM 0 HG2 PRO A 31 9.856 14.159 9.256 1.00 0.00 H new ATOM 0 HG3 PRO A 31 9.974 15.134 7.805 1.00 0.00 H new ATOM 0 HD2 PRO A 31 10.166 12.160 8.098 1.00 0.00 H new ATOM 0 HD3 PRO A 31 9.552 13.102 6.754 1.00 0.00 H new ATOM 478 N ARG A 32 13.797 11.881 8.149 1.00 0.00 N ATOM 479 CA ARG A 32 14.981 11.133 8.671 1.00 0.00 C ATOM 480 C ARG A 32 15.097 9.754 8.010 1.00 0.00 C ATOM 481 O ARG A 32 15.986 8.987 8.316 1.00 0.00 O ATOM 482 CB ARG A 32 14.722 10.985 10.170 1.00 0.00 C ATOM 483 CG ARG A 32 15.997 11.324 10.944 1.00 0.00 C ATOM 484 CD ARG A 32 16.053 10.493 12.227 1.00 0.00 C ATOM 485 NE ARG A 32 17.151 11.100 13.031 1.00 0.00 N ATOM 486 CZ ARG A 32 17.224 10.871 14.315 1.00 0.00 C ATOM 487 NH1 ARG A 32 16.335 10.112 14.896 1.00 0.00 N ATOM 488 NH2 ARG A 32 18.186 11.404 15.017 1.00 0.00 N ATOM 0 H ARG A 32 12.979 11.312 7.930 1.00 0.00 H new ATOM 0 HA ARG A 32 15.914 11.655 8.460 1.00 0.00 H new ATOM 0 HB2 ARG A 32 13.911 11.646 10.477 1.00 0.00 H new ATOM 0 HB3 ARG A 32 14.406 9.967 10.396 1.00 0.00 H new ATOM 0 HG2 ARG A 32 16.873 11.121 10.328 1.00 0.00 H new ATOM 0 HG3 ARG A 32 16.016 12.387 11.186 1.00 0.00 H new ATOM 0 HD2 ARG A 32 15.105 10.530 12.763 1.00 0.00 H new ATOM 0 HD3 ARG A 32 16.256 9.444 12.010 1.00 0.00 H new ATOM 0 HE ARG A 32 17.846 11.694 12.579 1.00 0.00 H new ATOM 0 HH11 ARG A 32 15.582 9.697 14.347 1.00 0.00 H new ATOM 0 HH12 ARG A 32 16.393 9.934 15.899 1.00 0.00 H new ATOM 0 HH21 ARG A 32 18.880 11.998 14.563 1.00 0.00 H new ATOM 0 HH22 ARG A 32 18.244 11.226 16.020 1.00 0.00 H new ATOM 502 N ASP A 33 14.189 9.416 7.139 1.00 0.00 N ATOM 503 CA ASP A 33 14.235 8.068 6.500 1.00 0.00 C ATOM 504 C ASP A 33 15.538 7.866 5.721 1.00 0.00 C ATOM 505 O ASP A 33 15.681 8.298 4.595 1.00 0.00 O ATOM 506 CB ASP A 33 13.040 8.050 5.547 1.00 0.00 C ATOM 507 CG ASP A 33 11.926 7.185 6.142 1.00 0.00 C ATOM 508 OD1 ASP A 33 11.838 7.122 7.357 1.00 0.00 O ATOM 509 OD2 ASP A 33 11.182 6.601 5.372 1.00 0.00 O ATOM 0 H ASP A 33 13.417 10.012 6.841 1.00 0.00 H new ATOM 0 HA ASP A 33 14.195 7.269 7.240 1.00 0.00 H new ATOM 0 HB2 ASP A 33 12.678 9.065 5.381 1.00 0.00 H new ATOM 0 HB3 ASP A 33 13.341 7.657 4.576 1.00 0.00 H new ATOM 514 N LYS A 34 16.484 7.195 6.324 1.00 0.00 N ATOM 515 CA LYS A 34 17.783 6.937 5.635 1.00 0.00 C ATOM 516 C LYS A 34 17.590 5.870 4.560 1.00 0.00 C ATOM 517 O LYS A 34 18.056 5.998 3.445 1.00 0.00 O ATOM 518 CB LYS A 34 18.735 6.426 6.720 1.00 0.00 C ATOM 519 CG LYS A 34 18.476 7.167 8.033 1.00 0.00 C ATOM 520 CD LYS A 34 18.442 8.673 7.771 1.00 0.00 C ATOM 521 CE LYS A 34 19.821 9.141 7.299 1.00 0.00 C ATOM 522 NZ LYS A 34 20.573 9.439 8.550 1.00 0.00 N ATOM 0 H LYS A 34 16.413 6.813 7.267 1.00 0.00 H new ATOM 0 HA LYS A 34 18.173 7.832 5.150 1.00 0.00 H new ATOM 0 HB2 LYS A 34 18.595 5.355 6.864 1.00 0.00 H new ATOM 0 HB3 LYS A 34 19.769 6.573 6.407 1.00 0.00 H new ATOM 0 HG2 LYS A 34 17.530 6.841 8.466 1.00 0.00 H new ATOM 0 HG3 LYS A 34 19.256 6.931 8.756 1.00 0.00 H new ATOM 0 HD2 LYS A 34 17.690 8.905 7.017 1.00 0.00 H new ATOM 0 HD3 LYS A 34 18.157 9.204 8.679 1.00 0.00 H new ATOM 0 HE2 LYS A 34 20.320 8.370 6.712 1.00 0.00 H new ATOM 0 HE3 LYS A 34 19.743 10.024 6.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 21.530 9.766 8.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 20.077 10.181 9.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 20.637 8.578 9.130 1.00 0.00 H new ATOM 536 N PHE A 35 16.899 4.818 4.893 1.00 0.00 N ATOM 537 CA PHE A 35 16.662 3.731 3.898 1.00 0.00 C ATOM 538 C PHE A 35 15.777 4.250 2.763 1.00 0.00 C ATOM 539 O PHE A 35 16.022 3.988 1.602 1.00 0.00 O ATOM 540 CB PHE A 35 15.945 2.628 4.678 1.00 0.00 C ATOM 541 CG PHE A 35 14.623 3.148 5.190 1.00 0.00 C ATOM 542 CD1 PHE A 35 13.477 3.057 4.389 1.00 0.00 C ATOM 543 CD2 PHE A 35 14.542 3.721 6.464 1.00 0.00 C ATOM 544 CE1 PHE A 35 12.252 3.539 4.864 1.00 0.00 C ATOM 545 CE2 PHE A 35 13.317 4.203 6.939 1.00 0.00 C ATOM 546 CZ PHE A 35 12.171 4.112 6.139 1.00 0.00 C ATOM 0 H PHE A 35 16.486 4.661 5.812 1.00 0.00 H new ATOM 0 HA PHE A 35 17.586 3.371 3.446 1.00 0.00 H new ATOM 0 HB2 PHE A 35 15.783 1.762 4.037 1.00 0.00 H new ATOM 0 HB3 PHE A 35 16.564 2.296 5.511 1.00 0.00 H new ATOM 0 HD1 PHE A 35 13.539 2.615 3.405 1.00 0.00 H new ATOM 0 HD2 PHE A 35 15.425 3.791 7.081 1.00 0.00 H new ATOM 0 HE1 PHE A 35 11.369 3.469 4.247 1.00 0.00 H new ATOM 0 HE2 PHE A 35 13.255 4.645 7.922 1.00 0.00 H new ATOM 0 HZ PHE A 35 11.225 4.484 6.505 1.00 0.00 H new ATOM 556 N LEU A 36 14.758 4.994 3.091 1.00 0.00 N ATOM 557 CA LEU A 36 13.863 5.545 2.036 1.00 0.00 C ATOM 558 C LEU A 36 14.642 6.534 1.168 1.00 0.00 C ATOM 559 O LEU A 36 14.438 6.631 -0.025 1.00 0.00 O ATOM 560 CB LEU A 36 12.749 6.262 2.796 1.00 0.00 C ATOM 561 CG LEU A 36 11.423 6.064 2.065 1.00 0.00 C ATOM 562 CD1 LEU A 36 11.613 6.345 0.573 1.00 0.00 C ATOM 563 CD2 LEU A 36 10.946 4.622 2.255 1.00 0.00 C ATOM 0 H LEU A 36 14.506 5.245 4.047 1.00 0.00 H new ATOM 0 HA LEU A 36 13.469 4.773 1.375 1.00 0.00 H new ATOM 0 HB2 LEU A 36 12.678 5.872 3.811 1.00 0.00 H new ATOM 0 HB3 LEU A 36 12.976 7.325 2.878 1.00 0.00 H new ATOM 0 HG LEU A 36 10.680 6.750 2.471 1.00 0.00 H new ATOM 0 HD11 LEU A 36 10.666 6.203 0.053 1.00 0.00 H new ATOM 0 HD12 LEU A 36 11.952 7.372 0.436 1.00 0.00 H new ATOM 0 HD13 LEU A 36 12.357 5.660 0.166 1.00 0.00 H new ATOM 0 HD21 LEU A 36 9.999 4.480 1.733 1.00 0.00 H new ATOM 0 HD22 LEU A 36 11.690 3.936 1.850 1.00 0.00 H new ATOM 0 HD23 LEU A 36 10.808 4.421 3.317 1.00 0.00 H new ATOM 575 N LYS A 37 15.543 7.261 1.769 1.00 0.00 N ATOM 576 CA LYS A 37 16.356 8.241 0.994 1.00 0.00 C ATOM 577 C LYS A 37 17.209 7.500 -0.041 1.00 0.00 C ATOM 578 O LYS A 37 17.547 8.030 -1.081 1.00 0.00 O ATOM 579 CB LYS A 37 17.247 8.925 2.031 1.00 0.00 C ATOM 580 CG LYS A 37 16.913 10.418 2.085 1.00 0.00 C ATOM 581 CD LYS A 37 17.745 11.166 1.043 1.00 0.00 C ATOM 582 CE LYS A 37 18.417 12.376 1.698 1.00 0.00 C ATOM 583 NZ LYS A 37 19.584 12.686 0.827 1.00 0.00 N ATOM 0 H LYS A 37 15.752 7.219 2.766 1.00 0.00 H new ATOM 0 HA LYS A 37 15.741 8.959 0.452 1.00 0.00 H new ATOM 0 HB2 LYS A 37 17.097 8.472 3.011 1.00 0.00 H new ATOM 0 HB3 LYS A 37 18.297 8.785 1.773 1.00 0.00 H new ATOM 0 HG2 LYS A 37 15.851 10.571 1.895 1.00 0.00 H new ATOM 0 HG3 LYS A 37 17.119 10.812 3.080 1.00 0.00 H new ATOM 0 HD2 LYS A 37 18.499 10.503 0.620 1.00 0.00 H new ATOM 0 HD3 LYS A 37 17.109 11.491 0.220 1.00 0.00 H new ATOM 0 HE2 LYS A 37 17.733 13.223 1.758 1.00 0.00 H new ATOM 0 HE3 LYS A 37 18.733 12.149 2.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 20.096 13.506 1.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 20.221 11.864 0.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 19.252 12.905 -0.134 1.00 0.00 H new ATOM 597 N GLU A 38 17.553 6.273 0.242 1.00 0.00 N ATOM 598 CA GLU A 38 18.378 5.483 -0.717 1.00 0.00 C ATOM 599 C GLU A 38 17.547 5.096 -1.945 1.00 0.00 C ATOM 600 O GLU A 38 17.978 5.245 -3.071 1.00 0.00 O ATOM 601 CB GLU A 38 18.798 4.235 0.060 1.00 0.00 C ATOM 602 CG GLU A 38 19.897 4.601 1.061 1.00 0.00 C ATOM 603 CD GLU A 38 21.046 3.598 0.947 1.00 0.00 C ATOM 604 OE1 GLU A 38 20.767 2.426 0.760 1.00 0.00 O ATOM 605 OE2 GLU A 38 22.187 4.020 1.049 1.00 0.00 O ATOM 0 H GLU A 38 17.298 5.782 1.099 1.00 0.00 H new ATOM 0 HA GLU A 38 19.236 6.047 -1.083 1.00 0.00 H new ATOM 0 HB2 GLU A 38 17.940 3.814 0.584 1.00 0.00 H new ATOM 0 HB3 GLU A 38 19.158 3.470 -0.628 1.00 0.00 H new ATOM 0 HG2 GLU A 38 20.260 5.610 0.866 1.00 0.00 H new ATOM 0 HG3 GLU A 38 19.496 4.597 2.075 1.00 0.00 H new ATOM 612 N GLN A 39 16.359 4.598 -1.733 1.00 0.00 N ATOM 613 CA GLN A 39 15.499 4.195 -2.885 1.00 0.00 C ATOM 614 C GLN A 39 14.990 5.433 -3.627 1.00 0.00 C ATOM 615 O GLN A 39 15.069 5.521 -4.837 1.00 0.00 O ATOM 616 CB GLN A 39 14.334 3.430 -2.256 1.00 0.00 C ATOM 617 CG GLN A 39 14.872 2.436 -1.224 1.00 0.00 C ATOM 618 CD GLN A 39 16.004 1.617 -1.845 1.00 0.00 C ATOM 619 OE1 GLN A 39 15.895 1.206 -3.079 1.00 0.00 O flip ATOM 620 NE2 GLN A 39 17.000 1.349 -1.202 1.00 0.00 N flip ATOM 0 H GLN A 39 15.946 4.452 -0.812 1.00 0.00 H new ATOM 0 HA GLN A 39 16.040 3.591 -3.614 1.00 0.00 H new ATOM 0 HB2 GLN A 39 13.643 4.126 -1.780 1.00 0.00 H new ATOM 0 HB3 GLN A 39 13.774 2.902 -3.027 1.00 0.00 H new ATOM 0 HG2 GLN A 39 15.235 2.969 -0.345 1.00 0.00 H new ATOM 0 HG3 GLN A 39 14.073 1.775 -0.889 1.00 0.00 H new ATOM 0 HE21 GLN A 39 17.086 1.670 -0.238 1.00 0.00 H new ATOM 0 HE22 GLN A 39 17.750 0.803 -1.627 1.00 0.00 H new ATOM 629 N ILE A 40 14.472 6.390 -2.911 1.00 0.00 N ATOM 630 CA ILE A 40 13.964 7.621 -3.578 1.00 0.00 C ATOM 631 C ILE A 40 15.101 8.294 -4.352 1.00 0.00 C ATOM 632 O ILE A 40 14.909 8.818 -5.431 1.00 0.00 O ATOM 633 CB ILE A 40 13.475 8.523 -2.445 1.00 0.00 C ATOM 634 CG1 ILE A 40 12.985 9.851 -3.028 1.00 0.00 C ATOM 635 CG2 ILE A 40 14.622 8.788 -1.473 1.00 0.00 C ATOM 636 CD1 ILE A 40 12.807 10.871 -1.901 1.00 0.00 C ATOM 0 H ILE A 40 14.378 6.374 -1.895 1.00 0.00 H new ATOM 0 HA ILE A 40 13.167 7.409 -4.291 1.00 0.00 H new ATOM 0 HB ILE A 40 12.658 8.032 -1.917 1.00 0.00 H new ATOM 0 HG12 ILE A 40 13.701 10.224 -3.761 1.00 0.00 H new ATOM 0 HG13 ILE A 40 12.040 9.704 -3.552 1.00 0.00 H new ATOM 0 HG21 ILE A 40 14.273 9.431 -0.665 1.00 0.00 H new ATOM 0 HG22 ILE A 40 14.973 7.843 -1.058 1.00 0.00 H new ATOM 0 HG23 ILE A 40 15.440 9.279 -2.000 1.00 0.00 H new ATOM 0 HD11 ILE A 40 12.458 11.816 -2.317 1.00 0.00 H new ATOM 0 HD12 ILE A 40 12.075 10.498 -1.185 1.00 0.00 H new ATOM 0 HD13 ILE A 40 13.761 11.027 -1.397 1.00 0.00 H new ATOM 648 N LYS A 41 16.286 8.278 -3.807 1.00 0.00 N ATOM 649 CA LYS A 41 17.440 8.913 -4.506 1.00 0.00 C ATOM 650 C LYS A 41 17.896 8.039 -5.680 1.00 0.00 C ATOM 651 O LYS A 41 18.457 8.523 -6.643 1.00 0.00 O ATOM 652 CB LYS A 41 18.540 9.005 -3.449 1.00 0.00 C ATOM 653 CG LYS A 41 19.672 9.897 -3.965 1.00 0.00 C ATOM 654 CD LYS A 41 19.401 11.349 -3.563 1.00 0.00 C ATOM 655 CE LYS A 41 20.636 12.200 -3.862 1.00 0.00 C ATOM 656 NZ LYS A 41 20.854 13.006 -2.628 1.00 0.00 N ATOM 0 H LYS A 41 16.506 7.852 -2.907 1.00 0.00 H new ATOM 0 HA LYS A 41 17.186 9.890 -4.918 1.00 0.00 H new ATOM 0 HB2 LYS A 41 18.135 9.412 -2.523 1.00 0.00 H new ATOM 0 HB3 LYS A 41 18.922 8.010 -3.220 1.00 0.00 H new ATOM 0 HG2 LYS A 41 20.626 9.567 -3.554 1.00 0.00 H new ATOM 0 HG3 LYS A 41 19.747 9.817 -5.049 1.00 0.00 H new ATOM 0 HD2 LYS A 41 18.540 11.734 -4.109 1.00 0.00 H new ATOM 0 HD3 LYS A 41 19.156 11.404 -2.502 1.00 0.00 H new ATOM 0 HE2 LYS A 41 21.502 11.576 -4.084 1.00 0.00 H new ATOM 0 HE3 LYS A 41 20.474 12.841 -4.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 21.686 13.617 -2.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 20.016 13.595 -2.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 21.012 12.369 -1.821 1.00 0.00 H new ATOM 670 N LEU A 42 17.658 6.758 -5.609 1.00 0.00 N ATOM 671 CA LEU A 42 18.077 5.860 -6.725 1.00 0.00 C ATOM 672 C LEU A 42 17.618 6.442 -8.065 1.00 0.00 C ATOM 673 O LEU A 42 18.383 7.059 -8.779 1.00 0.00 O ATOM 674 CB LEU A 42 17.380 4.528 -6.448 1.00 0.00 C ATOM 675 CG LEU A 42 18.425 3.418 -6.339 1.00 0.00 C ATOM 676 CD1 LEU A 42 19.446 3.779 -5.259 1.00 0.00 C ATOM 677 CD2 LEU A 42 17.736 2.103 -5.967 1.00 0.00 C ATOM 0 H LEU A 42 17.193 6.294 -4.829 1.00 0.00 H new ATOM 0 HA LEU A 42 19.159 5.745 -6.781 1.00 0.00 H new ATOM 0 HB2 LEU A 42 16.804 4.592 -5.525 1.00 0.00 H new ATOM 0 HB3 LEU A 42 16.675 4.301 -7.248 1.00 0.00 H new ATOM 0 HG LEU A 42 18.934 3.306 -7.296 1.00 0.00 H new ATOM 0 HD11 LEU A 42 20.190 2.986 -5.183 1.00 0.00 H new ATOM 0 HD12 LEU A 42 19.938 4.715 -5.522 1.00 0.00 H new ATOM 0 HD13 LEU A 42 18.938 3.893 -4.301 1.00 0.00 H new ATOM 0 HD21 LEU A 42 18.481 1.311 -5.889 1.00 0.00 H new ATOM 0 HD22 LEU A 42 17.227 2.217 -5.010 1.00 0.00 H new ATOM 0 HD23 LEU A 42 17.009 1.843 -6.736 1.00 0.00 H new ATOM 689 N ASP A 43 16.371 6.260 -8.407 1.00 0.00 N ATOM 690 CA ASP A 43 15.864 6.811 -9.695 1.00 0.00 C ATOM 691 C ASP A 43 15.341 8.234 -9.476 1.00 0.00 C ATOM 692 O ASP A 43 16.058 9.099 -9.013 1.00 0.00 O ATOM 693 CB ASP A 43 14.730 5.872 -10.110 1.00 0.00 C ATOM 694 CG ASP A 43 14.373 6.120 -11.576 1.00 0.00 C ATOM 695 OD1 ASP A 43 14.983 5.494 -12.428 1.00 0.00 O ATOM 696 OD2 ASP A 43 13.496 6.931 -11.823 1.00 0.00 O ATOM 0 H ASP A 43 15.682 5.754 -7.850 1.00 0.00 H new ATOM 0 HA ASP A 43 16.637 6.868 -10.461 1.00 0.00 H new ATOM 0 HB2 ASP A 43 15.033 4.834 -9.969 1.00 0.00 H new ATOM 0 HB3 ASP A 43 13.857 6.038 -9.479 1.00 0.00 H new ATOM 701 N GLU A 44 14.101 8.487 -9.792 1.00 0.00 N ATOM 702 CA GLU A 44 13.547 9.855 -9.585 1.00 0.00 C ATOM 703 C GLU A 44 12.688 9.880 -8.319 1.00 0.00 C ATOM 704 O GLU A 44 11.765 10.661 -8.196 1.00 0.00 O ATOM 705 CB GLU A 44 12.688 10.128 -10.820 1.00 0.00 C ATOM 706 CG GLU A 44 12.541 11.637 -11.019 1.00 0.00 C ATOM 707 CD GLU A 44 11.828 11.912 -12.344 1.00 0.00 C ATOM 708 OE1 GLU A 44 11.711 10.988 -13.133 1.00 0.00 O ATOM 709 OE2 GLU A 44 11.414 13.041 -12.548 1.00 0.00 O ATOM 0 H GLU A 44 13.449 7.808 -10.184 1.00 0.00 H new ATOM 0 HA GLU A 44 14.327 10.606 -9.461 1.00 0.00 H new ATOM 0 HB2 GLU A 44 13.146 9.678 -11.701 1.00 0.00 H new ATOM 0 HB3 GLU A 44 11.706 9.669 -10.701 1.00 0.00 H new ATOM 0 HG2 GLU A 44 11.976 12.070 -10.193 1.00 0.00 H new ATOM 0 HG3 GLU A 44 13.522 12.112 -11.017 1.00 0.00 H new ATOM 716 N GLY A 45 12.983 9.024 -7.378 1.00 0.00 N ATOM 717 CA GLY A 45 12.182 8.990 -6.120 1.00 0.00 C ATOM 718 C GLY A 45 11.186 7.832 -6.188 1.00 0.00 C ATOM 719 O GLY A 45 10.584 7.456 -5.202 1.00 0.00 O ATOM 0 H GLY A 45 13.744 8.347 -7.426 1.00 0.00 H new ATOM 0 HA2 GLY A 45 12.840 8.869 -5.259 1.00 0.00 H new ATOM 0 HA3 GLY A 45 11.652 9.933 -5.987 1.00 0.00 H new ATOM 723 N TRP A 46 10.999 7.271 -7.352 1.00 0.00 N ATOM 724 CA TRP A 46 10.034 6.144 -7.496 1.00 0.00 C ATOM 725 C TRP A 46 10.514 4.905 -6.732 1.00 0.00 C ATOM 726 O TRP A 46 11.542 4.333 -7.031 1.00 0.00 O ATOM 727 CB TRP A 46 9.985 5.859 -8.997 1.00 0.00 C ATOM 728 CG TRP A 46 9.069 6.838 -9.657 1.00 0.00 C ATOM 729 CD1 TRP A 46 9.401 7.624 -10.706 1.00 0.00 C ATOM 730 CD2 TRP A 46 7.682 7.148 -9.334 1.00 0.00 C ATOM 731 NE1 TRP A 46 8.306 8.398 -11.050 1.00 0.00 N ATOM 732 CE2 TRP A 46 7.222 8.141 -10.232 1.00 0.00 C ATOM 733 CE3 TRP A 46 6.785 6.672 -8.359 1.00 0.00 C ATOM 734 CZ2 TRP A 46 5.922 8.642 -10.167 1.00 0.00 C ATOM 735 CZ3 TRP A 46 5.475 7.174 -8.290 1.00 0.00 C ATOM 736 CH2 TRP A 46 5.045 8.157 -9.193 1.00 0.00 C ATOM 0 H TRP A 46 11.474 7.546 -8.212 1.00 0.00 H new ATOM 0 HA TRP A 46 9.055 6.396 -7.088 1.00 0.00 H new ATOM 0 HB2 TRP A 46 10.985 5.933 -9.425 1.00 0.00 H new ATOM 0 HB3 TRP A 46 9.637 4.841 -9.174 1.00 0.00 H new ATOM 0 HD1 TRP A 46 10.363 7.645 -11.196 1.00 0.00 H new ATOM 0 HE1 TRP A 46 8.300 9.075 -11.813 1.00 0.00 H new ATOM 0 HE3 TRP A 46 7.107 5.915 -7.659 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 5.595 9.399 -10.864 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 4.796 6.801 -7.538 1.00 0.00 H new ATOM 0 HH2 TRP A 46 4.036 8.539 -9.136 1.00 0.00 H new ATOM 747 N VAL A 47 9.757 4.484 -5.757 1.00 0.00 N ATOM 748 CA VAL A 47 10.149 3.273 -4.979 1.00 0.00 C ATOM 749 C VAL A 47 9.316 2.075 -5.435 1.00 0.00 C ATOM 750 O VAL A 47 8.164 2.217 -5.792 1.00 0.00 O ATOM 751 CB VAL A 47 9.853 3.602 -3.515 1.00 0.00 C ATOM 752 CG1 VAL A 47 9.834 2.307 -2.693 1.00 0.00 C ATOM 753 CG2 VAL A 47 10.943 4.529 -2.971 1.00 0.00 C ATOM 0 H VAL A 47 8.885 4.925 -5.465 1.00 0.00 H new ATOM 0 HA VAL A 47 11.199 3.018 -5.123 1.00 0.00 H new ATOM 0 HB VAL A 47 8.883 4.095 -3.443 1.00 0.00 H new ATOM 0 HG11 VAL A 47 9.623 2.541 -1.650 1.00 0.00 H new ATOM 0 HG12 VAL A 47 9.061 1.642 -3.079 1.00 0.00 H new ATOM 0 HG13 VAL A 47 10.804 1.816 -2.765 1.00 0.00 H new ATOM 0 HG21 VAL A 47 10.733 4.764 -1.928 1.00 0.00 H new ATOM 0 HG22 VAL A 47 11.911 4.034 -3.044 1.00 0.00 H new ATOM 0 HG23 VAL A 47 10.962 5.450 -3.554 1.00 0.00 H new ATOM 763 N PRO A 48 9.932 0.929 -5.404 1.00 0.00 N ATOM 764 CA PRO A 48 9.260 -0.312 -5.807 1.00 0.00 C ATOM 765 C PRO A 48 8.603 -0.949 -4.585 1.00 0.00 C ATOM 766 O PRO A 48 9.163 -0.968 -3.508 1.00 0.00 O ATOM 767 CB PRO A 48 10.408 -1.174 -6.317 1.00 0.00 C ATOM 768 CG PRO A 48 11.642 -0.649 -5.636 1.00 0.00 C ATOM 769 CD PRO A 48 11.301 0.673 -4.990 1.00 0.00 C ATOM 0 HA PRO A 48 8.475 -0.174 -6.551 1.00 0.00 H new ATOM 0 HB2 PRO A 48 10.245 -2.225 -6.078 1.00 0.00 H new ATOM 0 HB3 PRO A 48 10.499 -1.104 -7.401 1.00 0.00 H new ATOM 0 HG2 PRO A 48 11.993 -1.358 -4.887 1.00 0.00 H new ATOM 0 HG3 PRO A 48 12.449 -0.522 -6.358 1.00 0.00 H new ATOM 0 HD2 PRO A 48 11.385 0.619 -3.905 1.00 0.00 H new ATOM 0 HD3 PRO A 48 11.973 1.464 -5.323 1.00 0.00 H new ATOM 777 N LEU A 49 7.421 -1.463 -4.738 1.00 0.00 N ATOM 778 CA LEU A 49 6.735 -2.088 -3.569 1.00 0.00 C ATOM 779 C LEU A 49 7.555 -3.265 -3.033 1.00 0.00 C ATOM 780 O LEU A 49 7.189 -3.890 -2.060 1.00 0.00 O ATOM 781 CB LEU A 49 5.396 -2.586 -4.114 1.00 0.00 C ATOM 782 CG LEU A 49 4.537 -1.398 -4.543 1.00 0.00 C ATOM 783 CD1 LEU A 49 3.234 -1.911 -5.160 1.00 0.00 C ATOM 784 CD2 LEU A 49 4.215 -0.536 -3.321 1.00 0.00 C ATOM 0 H LEU A 49 6.898 -1.480 -5.614 1.00 0.00 H new ATOM 0 HA LEU A 49 6.611 -1.384 -2.746 1.00 0.00 H new ATOM 0 HB2 LEU A 49 5.563 -3.251 -4.962 1.00 0.00 H new ATOM 0 HB3 LEU A 49 4.876 -3.166 -3.352 1.00 0.00 H new ATOM 0 HG LEU A 49 5.079 -0.802 -5.277 1.00 0.00 H new ATOM 0 HD11 LEU A 49 2.619 -1.065 -5.467 1.00 0.00 H new ATOM 0 HD12 LEU A 49 3.461 -2.529 -6.029 1.00 0.00 H new ATOM 0 HD13 LEU A 49 2.692 -2.505 -4.424 1.00 0.00 H new ATOM 0 HD21 LEU A 49 3.602 0.312 -3.625 1.00 0.00 H new ATOM 0 HD22 LEU A 49 3.671 -1.132 -2.588 1.00 0.00 H new ATOM 0 HD23 LEU A 49 5.142 -0.173 -2.877 1.00 0.00 H new ATOM 796 N GLU A 50 8.672 -3.558 -3.641 1.00 0.00 N ATOM 797 CA GLU A 50 9.505 -4.682 -3.135 1.00 0.00 C ATOM 798 C GLU A 50 10.011 -4.325 -1.742 1.00 0.00 C ATOM 799 O GLU A 50 10.016 -5.133 -0.835 1.00 0.00 O ATOM 800 CB GLU A 50 10.667 -4.820 -4.118 1.00 0.00 C ATOM 801 CG GLU A 50 11.421 -3.495 -4.232 1.00 0.00 C ATOM 802 CD GLU A 50 12.195 -3.466 -5.551 1.00 0.00 C ATOM 803 OE1 GLU A 50 11.623 -3.845 -6.560 1.00 0.00 O ATOM 804 OE2 GLU A 50 13.347 -3.065 -5.530 1.00 0.00 O ATOM 0 H GLU A 50 9.040 -3.072 -4.459 1.00 0.00 H new ATOM 0 HA GLU A 50 8.951 -5.618 -3.063 1.00 0.00 H new ATOM 0 HB2 GLU A 50 11.345 -5.605 -3.783 1.00 0.00 H new ATOM 0 HB3 GLU A 50 10.292 -5.119 -5.097 1.00 0.00 H new ATOM 0 HG2 GLU A 50 10.721 -2.660 -4.189 1.00 0.00 H new ATOM 0 HG3 GLU A 50 12.106 -3.380 -3.392 1.00 0.00 H new ATOM 811 N ILE A 51 10.418 -3.102 -1.571 1.00 0.00 N ATOM 812 CA ILE A 51 10.911 -2.651 -0.241 1.00 0.00 C ATOM 813 C ILE A 51 9.741 -2.547 0.739 1.00 0.00 C ATOM 814 O ILE A 51 9.869 -2.849 1.909 1.00 0.00 O ATOM 815 CB ILE A 51 11.514 -1.272 -0.493 1.00 0.00 C ATOM 816 CG1 ILE A 51 12.702 -1.406 -1.445 1.00 0.00 C ATOM 817 CG2 ILE A 51 11.988 -0.672 0.831 1.00 0.00 C ATOM 818 CD1 ILE A 51 13.111 -0.021 -1.939 1.00 0.00 C ATOM 0 H ILE A 51 10.431 -2.389 -2.300 1.00 0.00 H new ATOM 0 HA ILE A 51 11.635 -3.342 0.191 1.00 0.00 H new ATOM 0 HB ILE A 51 10.761 -0.621 -0.937 1.00 0.00 H new ATOM 0 HG12 ILE A 51 13.538 -1.885 -0.936 1.00 0.00 H new ATOM 0 HG13 ILE A 51 12.436 -2.042 -2.289 1.00 0.00 H new ATOM 0 HG21 ILE A 51 12.419 0.313 0.651 1.00 0.00 H new ATOM 0 HG22 ILE A 51 11.142 -0.579 1.512 1.00 0.00 H new ATOM 0 HG23 ILE A 51 12.742 -1.322 1.276 1.00 0.00 H new ATOM 0 HD11 ILE A 51 13.958 -0.113 -2.618 1.00 0.00 H new ATOM 0 HD12 ILE A 51 12.274 0.440 -2.463 1.00 0.00 H new ATOM 0 HD13 ILE A 51 13.393 0.600 -1.089 1.00 0.00 H new ATOM 830 N MET A 52 8.598 -2.129 0.266 1.00 0.00 N ATOM 831 CA MET A 52 7.419 -2.016 1.170 1.00 0.00 C ATOM 832 C MET A 52 6.811 -3.400 1.427 1.00 0.00 C ATOM 833 O MET A 52 6.471 -3.742 2.541 1.00 0.00 O ATOM 834 CB MET A 52 6.429 -1.122 0.423 1.00 0.00 C ATOM 835 CG MET A 52 6.393 0.260 1.079 1.00 0.00 C ATOM 836 SD MET A 52 8.064 0.958 1.112 1.00 0.00 S ATOM 837 CE MET A 52 7.818 2.080 2.511 1.00 0.00 C ATOM 0 H MET A 52 8.430 -1.862 -0.704 1.00 0.00 H new ATOM 0 HA MET A 52 7.684 -1.603 2.143 1.00 0.00 H new ATOM 0 HB2 MET A 52 6.722 -1.032 -0.623 1.00 0.00 H new ATOM 0 HB3 MET A 52 5.435 -1.570 0.439 1.00 0.00 H new ATOM 0 HG2 MET A 52 5.723 0.919 0.527 1.00 0.00 H new ATOM 0 HG3 MET A 52 6.000 0.183 2.093 1.00 0.00 H new ATOM 0 HE1 MET A 52 8.725 2.661 2.675 1.00 0.00 H new ATOM 0 HE2 MET A 52 6.989 2.754 2.295 1.00 0.00 H new ATOM 0 HE3 MET A 52 7.591 1.501 3.406 1.00 0.00 H new ATOM 847 N ILE A 53 6.662 -4.191 0.398 1.00 0.00 N ATOM 848 CA ILE A 53 6.062 -5.547 0.578 1.00 0.00 C ATOM 849 C ILE A 53 7.077 -6.512 1.193 1.00 0.00 C ATOM 850 O ILE A 53 6.793 -7.677 1.387 1.00 0.00 O ATOM 851 CB ILE A 53 5.674 -6.012 -0.826 1.00 0.00 C ATOM 852 CG1 ILE A 53 6.939 -6.375 -1.608 1.00 0.00 C ATOM 853 CG2 ILE A 53 4.924 -4.893 -1.553 1.00 0.00 C ATOM 854 CD1 ILE A 53 6.988 -7.889 -1.825 1.00 0.00 C ATOM 0 H ILE A 53 6.929 -3.958 -0.558 1.00 0.00 H new ATOM 0 HA ILE A 53 5.205 -5.518 1.251 1.00 0.00 H new ATOM 0 HB ILE A 53 5.027 -6.886 -0.752 1.00 0.00 H new ATOM 0 HG12 ILE A 53 6.947 -5.859 -2.568 1.00 0.00 H new ATOM 0 HG13 ILE A 53 7.824 -6.046 -1.062 1.00 0.00 H new ATOM 0 HG21 ILE A 53 4.650 -5.229 -2.553 1.00 0.00 H new ATOM 0 HG22 ILE A 53 4.023 -4.637 -0.996 1.00 0.00 H new ATOM 0 HG23 ILE A 53 5.565 -4.015 -1.628 1.00 0.00 H new ATOM 0 HD11 ILE A 53 7.889 -8.148 -2.382 1.00 0.00 H new ATOM 0 HD12 ILE A 53 7.000 -8.395 -0.860 1.00 0.00 H new ATOM 0 HD13 ILE A 53 6.110 -8.204 -2.388 1.00 0.00 H new ATOM 866 N LYS A 54 8.254 -6.047 1.510 1.00 0.00 N ATOM 867 CA LYS A 54 9.268 -6.954 2.118 1.00 0.00 C ATOM 868 C LYS A 54 9.621 -6.460 3.523 1.00 0.00 C ATOM 869 O LYS A 54 10.060 -7.215 4.367 1.00 0.00 O ATOM 870 CB LYS A 54 10.484 -6.868 1.196 1.00 0.00 C ATOM 871 CG LYS A 54 11.620 -7.721 1.765 1.00 0.00 C ATOM 872 CD LYS A 54 12.583 -6.831 2.552 1.00 0.00 C ATOM 873 CE LYS A 54 13.584 -6.186 1.590 1.00 0.00 C ATOM 874 NZ LYS A 54 14.684 -7.181 1.456 1.00 0.00 N ATOM 0 H LYS A 54 8.557 -5.082 1.375 1.00 0.00 H new ATOM 0 HA LYS A 54 8.909 -7.979 2.215 1.00 0.00 H new ATOM 0 HB2 LYS A 54 10.221 -7.215 0.197 1.00 0.00 H new ATOM 0 HB3 LYS A 54 10.807 -5.832 1.099 1.00 0.00 H new ATOM 0 HG2 LYS A 54 11.215 -8.499 2.413 1.00 0.00 H new ATOM 0 HG3 LYS A 54 12.151 -8.224 0.957 1.00 0.00 H new ATOM 0 HD2 LYS A 54 12.028 -6.060 3.087 1.00 0.00 H new ATOM 0 HD3 LYS A 54 13.111 -7.421 3.301 1.00 0.00 H new ATOM 0 HE2 LYS A 54 13.124 -5.974 0.625 1.00 0.00 H new ATOM 0 HE3 LYS A 54 13.954 -5.239 1.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 15.332 -6.882 0.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 15.206 -7.245 2.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 14.284 -8.112 1.221 1.00 0.00 H new ATOM 888 N PHE A 55 9.428 -5.195 3.776 1.00 0.00 N ATOM 889 CA PHE A 55 9.744 -4.645 5.125 1.00 0.00 C ATOM 890 C PHE A 55 8.864 -5.320 6.182 1.00 0.00 C ATOM 891 O PHE A 55 7.690 -5.549 5.972 1.00 0.00 O ATOM 892 CB PHE A 55 9.424 -3.152 5.027 1.00 0.00 C ATOM 893 CG PHE A 55 10.708 -2.356 5.070 1.00 0.00 C ATOM 894 CD1 PHE A 55 11.605 -2.535 6.129 1.00 0.00 C ATOM 895 CD2 PHE A 55 11.002 -1.439 4.051 1.00 0.00 C ATOM 896 CE1 PHE A 55 12.794 -1.799 6.173 1.00 0.00 C ATOM 897 CE2 PHE A 55 12.192 -0.703 4.095 1.00 0.00 C ATOM 898 CZ PHE A 55 13.088 -0.883 5.156 1.00 0.00 C ATOM 0 H PHE A 55 9.065 -4.517 3.106 1.00 0.00 H new ATOM 0 HA PHE A 55 10.780 -4.818 5.416 1.00 0.00 H new ATOM 0 HB2 PHE A 55 8.886 -2.945 4.102 1.00 0.00 H new ATOM 0 HB3 PHE A 55 8.772 -2.855 5.848 1.00 0.00 H new ATOM 0 HD1 PHE A 55 11.379 -3.242 6.913 1.00 0.00 H new ATOM 0 HD2 PHE A 55 10.311 -1.301 3.233 1.00 0.00 H new ATOM 0 HE1 PHE A 55 13.485 -1.937 6.991 1.00 0.00 H new ATOM 0 HE2 PHE A 55 12.419 0.004 3.311 1.00 0.00 H new ATOM 0 HZ PHE A 55 14.006 -0.315 5.190 1.00 0.00 H new ATOM 908 N ASN A 56 9.424 -5.645 7.315 1.00 0.00 N ATOM 909 CA ASN A 56 8.620 -6.310 8.382 1.00 0.00 C ATOM 910 C ASN A 56 7.403 -5.456 8.747 1.00 0.00 C ATOM 911 O ASN A 56 6.428 -5.945 9.280 1.00 0.00 O ATOM 912 CB ASN A 56 9.569 -6.429 9.576 1.00 0.00 C ATOM 913 CG ASN A 56 9.584 -7.875 10.074 1.00 0.00 C ATOM 914 OD1 ASN A 56 9.297 -8.137 11.225 1.00 0.00 O ATOM 915 ND2 ASN A 56 9.907 -8.833 9.249 1.00 0.00 N ATOM 0 H ASN A 56 10.403 -5.479 7.549 1.00 0.00 H new ATOM 0 HA ASN A 56 8.238 -7.280 8.063 1.00 0.00 H new ATOM 0 HB2 ASN A 56 10.574 -6.122 9.287 1.00 0.00 H new ATOM 0 HB3 ASN A 56 9.250 -5.761 10.376 1.00 0.00 H new ATOM 0 HD21 ASN A 56 9.918 -9.801 9.571 1.00 0.00 H new ATOM 0 HD22 ASN A 56 10.148 -8.614 8.282 1.00 0.00 H new ATOM 922 N ARG A 57 7.453 -4.182 8.469 1.00 0.00 N ATOM 923 CA ARG A 57 6.299 -3.300 8.806 1.00 0.00 C ATOM 924 C ARG A 57 5.111 -3.587 7.880 1.00 0.00 C ATOM 925 O ARG A 57 3.980 -3.666 8.316 1.00 0.00 O ATOM 926 CB ARG A 57 6.813 -1.878 8.589 1.00 0.00 C ATOM 927 CG ARG A 57 5.884 -0.887 9.294 1.00 0.00 C ATOM 928 CD ARG A 57 6.697 -0.019 10.255 1.00 0.00 C ATOM 929 NE ARG A 57 6.588 -0.701 11.575 1.00 0.00 N ATOM 930 CZ ARG A 57 7.239 -0.237 12.606 1.00 0.00 C ATOM 931 NH1 ARG A 57 7.989 0.825 12.483 1.00 0.00 N ATOM 932 NH2 ARG A 57 7.141 -0.835 13.761 1.00 0.00 N ATOM 0 H ARG A 57 8.242 -3.714 8.024 1.00 0.00 H new ATOM 0 HA ARG A 57 5.947 -3.460 9.825 1.00 0.00 H new ATOM 0 HB2 ARG A 57 7.827 -1.783 8.978 1.00 0.00 H new ATOM 0 HB3 ARG A 57 6.859 -1.655 7.523 1.00 0.00 H new ATOM 0 HG2 ARG A 57 5.379 -0.260 8.559 1.00 0.00 H new ATOM 0 HG3 ARG A 57 5.109 -1.425 9.840 1.00 0.00 H new ATOM 0 HD2 ARG A 57 7.736 0.058 9.935 1.00 0.00 H new ATOM 0 HD3 ARG A 57 6.302 0.996 10.301 1.00 0.00 H new ATOM 0 HE ARG A 57 6.004 -1.531 11.673 1.00 0.00 H new ATOM 0 HH11 ARG A 57 8.066 1.293 11.580 1.00 0.00 H new ATOM 0 HH12 ARG A 57 8.497 1.187 13.290 1.00 0.00 H new ATOM 0 HH21 ARG A 57 6.556 -1.665 13.858 1.00 0.00 H new ATOM 0 HH22 ARG A 57 7.650 -0.473 14.568 1.00 0.00 H new ATOM 946 N LEU A 58 5.357 -3.738 6.608 1.00 0.00 N ATOM 947 CA LEU A 58 4.236 -4.013 5.660 1.00 0.00 C ATOM 948 C LEU A 58 4.031 -5.522 5.494 1.00 0.00 C ATOM 949 O LEU A 58 2.919 -6.012 5.525 1.00 0.00 O ATOM 950 CB LEU A 58 4.673 -3.383 4.337 1.00 0.00 C ATOM 951 CG LEU A 58 3.667 -2.309 3.924 1.00 0.00 C ATOM 952 CD1 LEU A 58 4.324 -1.347 2.933 1.00 0.00 C ATOM 953 CD2 LEU A 58 2.455 -2.971 3.263 1.00 0.00 C ATOM 0 H LEU A 58 6.283 -3.683 6.183 1.00 0.00 H new ATOM 0 HA LEU A 58 3.290 -3.605 6.015 1.00 0.00 H new ATOM 0 HB2 LEU A 58 5.666 -2.945 4.441 1.00 0.00 H new ATOM 0 HB3 LEU A 58 4.742 -4.148 3.563 1.00 0.00 H new ATOM 0 HG LEU A 58 3.344 -1.757 4.807 1.00 0.00 H new ATOM 0 HD11 LEU A 58 3.606 -0.581 2.639 1.00 0.00 H new ATOM 0 HD12 LEU A 58 5.187 -0.874 3.402 1.00 0.00 H new ATOM 0 HD13 LEU A 58 4.648 -1.899 2.051 1.00 0.00 H new ATOM 0 HD21 LEU A 58 1.738 -2.205 2.969 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.778 -3.524 2.381 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.985 -3.656 3.968 1.00 0.00 H new ATOM 965 N ASN A 59 5.090 -6.261 5.312 1.00 0.00 N ATOM 966 CA ASN A 59 4.946 -7.736 5.139 1.00 0.00 C ATOM 967 C ASN A 59 4.191 -8.340 6.327 1.00 0.00 C ATOM 968 O ASN A 59 3.618 -9.406 6.231 1.00 0.00 O ATOM 969 CB ASN A 59 6.377 -8.271 5.082 1.00 0.00 C ATOM 970 CG ASN A 59 6.364 -9.786 5.291 1.00 0.00 C ATOM 971 OD1 ASN A 59 5.577 -10.489 4.689 1.00 0.00 O ATOM 972 ND2 ASN A 59 7.211 -10.323 6.127 1.00 0.00 N ATOM 0 H ASN A 59 6.047 -5.910 5.275 1.00 0.00 H new ATOM 0 HA ASN A 59 4.380 -7.992 4.243 1.00 0.00 H new ATOM 0 HB2 ASN A 59 6.829 -8.030 4.120 1.00 0.00 H new ATOM 0 HB3 ASN A 59 6.986 -7.793 5.849 1.00 0.00 H new ATOM 0 HD21 ASN A 59 7.212 -11.332 6.274 1.00 0.00 H new ATOM 0 HD22 ASN A 59 7.872 -9.733 6.633 1.00 0.00 H new ATOM 979 N ARG A 60 4.186 -7.666 7.445 1.00 0.00 N ATOM 980 CA ARG A 60 3.466 -8.206 8.634 1.00 0.00 C ATOM 981 C ARG A 60 1.966 -8.305 8.343 1.00 0.00 C ATOM 982 O ARG A 60 1.223 -8.936 9.069 1.00 0.00 O ATOM 983 CB ARG A 60 3.729 -7.196 9.750 1.00 0.00 C ATOM 984 CG ARG A 60 4.358 -7.909 10.948 1.00 0.00 C ATOM 985 CD ARG A 60 3.600 -7.532 12.223 1.00 0.00 C ATOM 986 NE ARG A 60 4.523 -7.886 13.337 1.00 0.00 N ATOM 987 CZ ARG A 60 4.078 -7.936 14.563 1.00 0.00 C ATOM 988 NH1 ARG A 60 2.824 -7.674 14.816 1.00 0.00 N ATOM 989 NH2 ARG A 60 4.888 -8.247 15.538 1.00 0.00 N ATOM 0 H ARG A 60 4.648 -6.768 7.587 1.00 0.00 H new ATOM 0 HA ARG A 60 3.805 -9.207 8.902 1.00 0.00 H new ATOM 0 HB2 ARG A 60 4.393 -6.409 9.393 1.00 0.00 H new ATOM 0 HB3 ARG A 60 2.797 -6.716 10.048 1.00 0.00 H new ATOM 0 HG2 ARG A 60 4.327 -8.988 10.800 1.00 0.00 H new ATOM 0 HG3 ARG A 60 5.408 -7.630 11.040 1.00 0.00 H new ATOM 0 HD2 ARG A 60 3.353 -6.470 12.237 1.00 0.00 H new ATOM 0 HD3 ARG A 60 2.660 -8.079 12.300 1.00 0.00 H new ATOM 0 HE ARG A 60 5.503 -8.089 13.142 1.00 0.00 H new ATOM 0 HH11 ARG A 60 2.190 -7.430 14.055 1.00 0.00 H new ATOM 0 HH12 ARG A 60 2.478 -7.714 15.775 1.00 0.00 H new ATOM 0 HH21 ARG A 60 5.868 -8.451 15.342 1.00 0.00 H new ATOM 0 HH22 ARG A 60 4.541 -8.286 16.496 1.00 0.00 H new ATOM 1003 N LEU A 61 1.516 -7.686 7.286 1.00 0.00 N ATOM 1004 CA LEU A 61 0.063 -7.744 6.950 1.00 0.00 C ATOM 1005 C LEU A 61 -0.122 -8.010 5.453 1.00 0.00 C ATOM 1006 O LEU A 61 -0.228 -9.141 5.022 1.00 0.00 O ATOM 1007 CB LEU A 61 -0.485 -6.367 7.323 1.00 0.00 C ATOM 1008 CG LEU A 61 -1.938 -6.251 6.856 1.00 0.00 C ATOM 1009 CD1 LEU A 61 -2.876 -6.510 8.036 1.00 0.00 C ATOM 1010 CD2 LEU A 61 -2.184 -4.844 6.310 1.00 0.00 C ATOM 0 H LEU A 61 2.090 -7.143 6.641 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.453 -8.544 7.481 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -0.426 -6.220 8.401 1.00 0.00 H new ATOM 0 HB3 LEU A 61 0.120 -5.586 6.862 1.00 0.00 H new ATOM 0 HG LEU A 61 -2.129 -6.985 6.073 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.911 -6.427 7.703 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.700 -7.512 8.428 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -2.687 -5.776 8.819 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -3.218 -4.759 5.977 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -1.994 -4.111 7.094 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -1.515 -4.658 5.469 1.00 0.00 H new ATOM 1022 N THR A 62 -0.165 -6.976 4.658 1.00 0.00 N ATOM 1023 CA THR A 62 -0.346 -7.170 3.190 1.00 0.00 C ATOM 1024 C THR A 62 0.994 -7.508 2.531 1.00 0.00 C ATOM 1025 O THR A 62 2.017 -7.579 3.182 1.00 0.00 O ATOM 1026 CB THR A 62 -0.876 -5.832 2.675 1.00 0.00 C ATOM 1027 OG1 THR A 62 -1.859 -5.337 3.572 1.00 0.00 O ATOM 1028 CG2 THR A 62 -1.495 -6.026 1.290 1.00 0.00 C ATOM 0 H THR A 62 -0.083 -6.005 4.961 1.00 0.00 H new ATOM 0 HA THR A 62 -1.026 -7.991 2.963 1.00 0.00 H new ATOM 0 HB THR A 62 -0.056 -5.118 2.606 1.00 0.00 H new ATOM 0 HG1 THR A 62 -2.742 -5.665 3.302 1.00 0.00 H new ATOM 0 HG21 THR A 62 -1.873 -5.072 0.923 1.00 0.00 H new ATOM 0 HG22 THR A 62 -0.738 -6.405 0.603 1.00 0.00 H new ATOM 0 HG23 THR A 62 -2.316 -6.740 1.355 1.00 0.00 H new ATOM 1036 N THR A 63 0.995 -7.714 1.243 1.00 0.00 N ATOM 1037 CA THR A 63 2.268 -8.045 0.537 1.00 0.00 C ATOM 1038 C THR A 63 1.996 -8.319 -0.945 1.00 0.00 C ATOM 1039 O THR A 63 2.861 -8.153 -1.783 1.00 0.00 O ATOM 1040 CB THR A 63 2.790 -9.307 1.228 1.00 0.00 C ATOM 1041 OG1 THR A 63 1.742 -9.904 1.978 1.00 0.00 O ATOM 1042 CG2 THR A 63 3.944 -8.939 2.162 1.00 0.00 C ATOM 0 H THR A 63 0.169 -7.668 0.647 1.00 0.00 H new ATOM 0 HA THR A 63 2.988 -7.228 0.582 1.00 0.00 H new ATOM 0 HB THR A 63 3.145 -10.012 0.476 1.00 0.00 H new ATOM 0 HG1 THR A 63 2.075 -10.713 2.420 1.00 0.00 H new ATOM 0 HG21 THR A 63 4.315 -9.838 2.654 1.00 0.00 H new ATOM 0 HG22 THR A 63 4.748 -8.483 1.585 1.00 0.00 H new ATOM 0 HG23 THR A 63 3.592 -8.233 2.914 1.00 0.00 H new ATOM 1050 N ASP A 64 0.804 -8.736 -1.276 1.00 0.00 N ATOM 1051 CA ASP A 64 0.484 -9.018 -2.705 1.00 0.00 C ATOM 1052 C ASP A 64 0.621 -7.742 -3.537 1.00 0.00 C ATOM 1053 O ASP A 64 -0.205 -6.854 -3.472 1.00 0.00 O ATOM 1054 CB ASP A 64 -0.966 -9.502 -2.699 1.00 0.00 C ATOM 1055 CG ASP A 64 -1.016 -10.971 -3.122 1.00 0.00 C ATOM 1056 OD1 ASP A 64 -0.689 -11.250 -4.264 1.00 0.00 O ATOM 1057 OD2 ASP A 64 -1.381 -11.793 -2.297 1.00 0.00 O ATOM 0 H ASP A 64 0.039 -8.893 -0.620 1.00 0.00 H new ATOM 0 HA ASP A 64 1.157 -9.756 -3.142 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -1.396 -9.384 -1.704 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -1.565 -8.896 -3.379 1.00 0.00 H new ATOM 1062 N PHE A 65 1.665 -7.644 -4.315 1.00 0.00 N ATOM 1063 CA PHE A 65 1.869 -6.427 -5.152 1.00 0.00 C ATOM 1064 C PHE A 65 0.535 -5.918 -5.703 1.00 0.00 C ATOM 1065 O PHE A 65 0.288 -4.731 -5.750 1.00 0.00 O ATOM 1066 CB PHE A 65 2.777 -6.878 -6.295 1.00 0.00 C ATOM 1067 CG PHE A 65 4.217 -6.846 -5.843 1.00 0.00 C ATOM 1068 CD1 PHE A 65 4.692 -5.767 -5.088 1.00 0.00 C ATOM 1069 CD2 PHE A 65 5.079 -7.896 -6.181 1.00 0.00 C ATOM 1070 CE1 PHE A 65 6.028 -5.739 -4.674 1.00 0.00 C ATOM 1071 CE2 PHE A 65 6.415 -7.867 -5.766 1.00 0.00 C ATOM 1072 CZ PHE A 65 6.889 -6.789 -5.011 1.00 0.00 C ATOM 0 H PHE A 65 2.388 -8.357 -4.407 1.00 0.00 H new ATOM 0 HA PHE A 65 2.304 -5.609 -4.578 1.00 0.00 H new ATOM 0 HB2 PHE A 65 2.507 -7.886 -6.611 1.00 0.00 H new ATOM 0 HB3 PHE A 65 2.642 -6.226 -7.158 1.00 0.00 H new ATOM 0 HD1 PHE A 65 4.028 -4.957 -4.825 1.00 0.00 H new ATOM 0 HD2 PHE A 65 4.713 -8.729 -6.763 1.00 0.00 H new ATOM 0 HE1 PHE A 65 6.395 -4.906 -4.093 1.00 0.00 H new ATOM 0 HE2 PHE A 65 7.080 -8.677 -6.028 1.00 0.00 H new ATOM 0 HZ PHE A 65 7.919 -6.767 -4.688 1.00 0.00 H new ATOM 1082 N ASN A 66 -0.326 -6.803 -6.128 1.00 0.00 N ATOM 1083 CA ASN A 66 -1.634 -6.351 -6.682 1.00 0.00 C ATOM 1084 C ASN A 66 -2.534 -5.814 -5.564 1.00 0.00 C ATOM 1085 O ASN A 66 -3.173 -4.791 -5.711 1.00 0.00 O ATOM 1086 CB ASN A 66 -2.250 -7.600 -7.313 1.00 0.00 C ATOM 1087 CG ASN A 66 -2.047 -7.559 -8.828 1.00 0.00 C ATOM 1088 OD1 ASN A 66 -2.277 -6.544 -9.456 1.00 0.00 O ATOM 1089 ND2 ASN A 66 -1.627 -8.628 -9.448 1.00 0.00 N ATOM 0 H ASN A 66 -0.182 -7.813 -6.116 1.00 0.00 H new ATOM 0 HA ASN A 66 -1.516 -5.543 -7.404 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -1.788 -8.496 -6.898 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -3.313 -7.652 -7.079 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -1.492 -8.611 -10.459 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -1.434 -9.480 -8.922 1.00 0.00 H new ATOM 1096 N VAL A 67 -2.587 -6.486 -4.446 1.00 0.00 N ATOM 1097 CA VAL A 67 -3.440 -5.998 -3.324 1.00 0.00 C ATOM 1098 C VAL A 67 -2.817 -4.754 -2.685 1.00 0.00 C ATOM 1099 O VAL A 67 -3.486 -3.779 -2.410 1.00 0.00 O ATOM 1100 CB VAL A 67 -3.477 -7.153 -2.323 1.00 0.00 C ATOM 1101 CG1 VAL A 67 -4.371 -6.775 -1.140 1.00 0.00 C ATOM 1102 CG2 VAL A 67 -4.039 -8.401 -3.008 1.00 0.00 C ATOM 0 H VAL A 67 -2.078 -7.350 -4.261 1.00 0.00 H new ATOM 0 HA VAL A 67 -4.438 -5.716 -3.658 1.00 0.00 H new ATOM 0 HB VAL A 67 -2.468 -7.357 -1.965 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -4.397 -7.598 -0.426 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.973 -5.885 -0.653 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -5.381 -6.572 -1.497 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -4.066 -9.226 -2.296 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -5.048 -8.197 -3.365 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -3.403 -8.671 -3.851 1.00 0.00 H new ATOM 1112 N ILE A 68 -1.534 -4.791 -2.439 1.00 0.00 N ATOM 1113 CA ILE A 68 -0.852 -3.624 -1.809 1.00 0.00 C ATOM 1114 C ILE A 68 -0.933 -2.405 -2.720 1.00 0.00 C ATOM 1115 O ILE A 68 -1.256 -1.313 -2.295 1.00 0.00 O ATOM 1116 CB ILE A 68 0.600 -4.070 -1.657 1.00 0.00 C ATOM 1117 CG1 ILE A 68 1.387 -3.013 -0.872 1.00 0.00 C ATOM 1118 CG2 ILE A 68 1.235 -4.273 -3.034 1.00 0.00 C ATOM 1119 CD1 ILE A 68 1.969 -1.973 -1.835 1.00 0.00 C ATOM 0 H ILE A 68 -0.927 -5.583 -2.649 1.00 0.00 H new ATOM 0 HA ILE A 68 -1.306 -3.341 -0.860 1.00 0.00 H new ATOM 0 HB ILE A 68 0.626 -5.015 -1.114 1.00 0.00 H new ATOM 0 HG12 ILE A 68 0.735 -2.525 -0.147 1.00 0.00 H new ATOM 0 HG13 ILE A 68 2.190 -3.489 -0.309 1.00 0.00 H new ATOM 0 HG21 ILE A 68 2.271 -4.591 -2.914 1.00 0.00 H new ATOM 0 HG22 ILE A 68 0.682 -5.037 -3.581 1.00 0.00 H new ATOM 0 HG23 ILE A 68 1.205 -3.336 -3.590 1.00 0.00 H new ATOM 0 HD11 ILE A 68 2.526 -1.226 -1.270 1.00 0.00 H new ATOM 0 HD12 ILE A 68 2.636 -2.465 -2.542 1.00 0.00 H new ATOM 0 HD13 ILE A 68 1.159 -1.487 -2.379 1.00 0.00 H new ATOM 1131 N VAL A 69 -0.635 -2.588 -3.967 1.00 0.00 N ATOM 1132 CA VAL A 69 -0.680 -1.448 -4.924 1.00 0.00 C ATOM 1133 C VAL A 69 -2.127 -1.006 -5.160 1.00 0.00 C ATOM 1134 O VAL A 69 -2.408 0.163 -5.339 1.00 0.00 O ATOM 1135 CB VAL A 69 -0.062 -1.992 -6.209 1.00 0.00 C ATOM 1136 CG1 VAL A 69 -1.066 -2.905 -6.913 1.00 0.00 C ATOM 1137 CG2 VAL A 69 0.306 -0.827 -7.127 1.00 0.00 C ATOM 0 H VAL A 69 -0.360 -3.482 -4.373 1.00 0.00 H new ATOM 0 HA VAL A 69 -0.145 -0.574 -4.553 1.00 0.00 H new ATOM 0 HB VAL A 69 0.835 -2.562 -5.969 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -0.624 -3.293 -7.831 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -1.326 -3.735 -6.256 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -1.965 -2.339 -7.155 1.00 0.00 H new ATOM 0 HG21 VAL A 69 0.748 -1.213 -8.046 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -0.591 -0.256 -7.368 1.00 0.00 H new ATOM 0 HG23 VAL A 69 1.024 -0.180 -6.623 1.00 0.00 H new ATOM 1147 N GLU A 70 -3.048 -1.930 -5.162 1.00 0.00 N ATOM 1148 CA GLU A 70 -4.475 -1.559 -5.386 1.00 0.00 C ATOM 1149 C GLU A 70 -4.943 -0.580 -4.305 1.00 0.00 C ATOM 1150 O GLU A 70 -5.707 0.329 -4.565 1.00 0.00 O ATOM 1151 CB GLU A 70 -5.247 -2.874 -5.291 1.00 0.00 C ATOM 1152 CG GLU A 70 -6.731 -2.615 -5.560 1.00 0.00 C ATOM 1153 CD GLU A 70 -7.144 -3.309 -6.859 1.00 0.00 C ATOM 1154 OE1 GLU A 70 -6.443 -3.144 -7.844 1.00 0.00 O ATOM 1155 OE2 GLU A 70 -8.154 -3.994 -6.848 1.00 0.00 O ATOM 0 H GLU A 70 -2.875 -2.925 -5.018 1.00 0.00 H new ATOM 0 HA GLU A 70 -4.628 -1.067 -6.347 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -4.855 -3.591 -6.013 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -5.117 -3.314 -4.302 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -7.332 -2.987 -4.730 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -6.916 -1.543 -5.633 1.00 0.00 H new ATOM 1162 N ALA A 71 -4.492 -0.759 -3.093 1.00 0.00 N ATOM 1163 CA ALA A 71 -4.913 0.162 -1.998 1.00 0.00 C ATOM 1164 C ALA A 71 -4.326 1.558 -2.221 1.00 0.00 C ATOM 1165 O ALA A 71 -4.972 2.558 -1.979 1.00 0.00 O ATOM 1166 CB ALA A 71 -4.352 -0.460 -0.718 1.00 0.00 C ATOM 0 H ALA A 71 -3.851 -1.502 -2.814 1.00 0.00 H new ATOM 0 HA ALA A 71 -5.996 0.280 -1.953 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -4.620 0.161 0.136 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -4.769 -1.458 -0.586 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -3.267 -0.527 -0.791 1.00 0.00 H new ATOM 1172 N LEU A 72 -3.106 1.636 -2.681 1.00 0.00 N ATOM 1173 CA LEU A 72 -2.485 2.972 -2.917 1.00 0.00 C ATOM 1174 C LEU A 72 -3.119 3.639 -4.141 1.00 0.00 C ATOM 1175 O LEU A 72 -3.185 4.848 -4.236 1.00 0.00 O ATOM 1176 CB LEU A 72 -1.002 2.690 -3.170 1.00 0.00 C ATOM 1177 CG LEU A 72 -0.494 1.645 -2.172 1.00 0.00 C ATOM 1178 CD1 LEU A 72 1.033 1.705 -2.107 1.00 0.00 C ATOM 1179 CD2 LEU A 72 -1.074 1.934 -0.786 1.00 0.00 C ATOM 0 H LEU A 72 -2.514 0.835 -2.903 1.00 0.00 H new ATOM 0 HA LEU A 72 -2.630 3.646 -2.073 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -0.859 2.332 -4.190 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -0.426 3.610 -3.072 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.808 0.652 -2.496 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.396 0.962 -1.397 1.00 0.00 H new ATOM 0 HD12 LEU A 72 1.448 1.498 -3.094 1.00 0.00 H new ATOM 0 HD13 LEU A 72 1.345 2.698 -1.784 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -0.711 1.189 -0.077 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -0.762 2.927 -0.461 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -2.162 1.892 -0.831 1.00 0.00 H new ATOM 1191 N SER A 73 -3.585 2.860 -5.078 1.00 0.00 N ATOM 1192 CA SER A 73 -4.215 3.449 -6.295 1.00 0.00 C ATOM 1193 C SER A 73 -5.552 4.101 -5.935 1.00 0.00 C ATOM 1194 O SER A 73 -6.196 4.717 -6.762 1.00 0.00 O ATOM 1195 CB SER A 73 -4.432 2.266 -7.238 1.00 0.00 C ATOM 1196 OG SER A 73 -3.195 1.599 -7.448 1.00 0.00 O ATOM 0 H SER A 73 -3.557 1.841 -5.054 1.00 0.00 H new ATOM 0 HA SER A 73 -3.596 4.224 -6.748 1.00 0.00 H new ATOM 0 HB2 SER A 73 -5.162 1.577 -6.813 1.00 0.00 H new ATOM 0 HB3 SER A 73 -4.837 2.613 -8.189 1.00 0.00 H new ATOM 0 HG SER A 73 -3.122 0.842 -6.830 1.00 0.00 H new ATOM 1202 N LYS A 74 -5.974 3.974 -4.707 1.00 0.00 N ATOM 1203 CA LYS A 74 -7.269 4.588 -4.294 1.00 0.00 C ATOM 1204 C LYS A 74 -7.026 5.703 -3.275 1.00 0.00 C ATOM 1205 O LYS A 74 -7.860 6.561 -3.068 1.00 0.00 O ATOM 1206 CB LYS A 74 -8.064 3.445 -3.659 1.00 0.00 C ATOM 1207 CG LYS A 74 -9.350 3.214 -4.453 1.00 0.00 C ATOM 1208 CD LYS A 74 -10.485 4.035 -3.837 1.00 0.00 C ATOM 1209 CE LYS A 74 -10.539 5.412 -4.502 1.00 0.00 C ATOM 1210 NZ LYS A 74 -10.655 6.378 -3.375 1.00 0.00 N ATOM 0 H LYS A 74 -5.478 3.471 -3.971 1.00 0.00 H new ATOM 0 HA LYS A 74 -7.799 5.037 -5.134 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -7.464 2.535 -3.645 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -8.302 3.686 -2.623 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -9.203 3.501 -5.494 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -9.608 2.155 -4.447 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -11.435 3.518 -3.970 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -10.328 4.144 -2.764 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -9.643 5.601 -5.093 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -11.390 5.491 -5.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -11.094 7.257 -3.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -11.244 5.966 -2.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -9.709 6.587 -2.998 1.00 0.00 H new ATOM 1224 N SER A 75 -5.897 5.684 -2.620 1.00 0.00 N ATOM 1225 CA SER A 75 -5.606 6.728 -1.594 1.00 0.00 C ATOM 1226 C SER A 75 -5.716 8.132 -2.196 1.00 0.00 C ATOM 1227 O SER A 75 -5.574 8.329 -3.386 1.00 0.00 O ATOM 1228 CB SER A 75 -4.172 6.451 -1.149 1.00 0.00 C ATOM 1229 OG SER A 75 -3.888 7.211 0.019 1.00 0.00 O ATOM 0 H SER A 75 -5.162 4.989 -2.751 1.00 0.00 H new ATOM 0 HA SER A 75 -6.313 6.690 -0.765 1.00 0.00 H new ATOM 0 HB2 SER A 75 -4.041 5.388 -0.946 1.00 0.00 H new ATOM 0 HB3 SER A 75 -3.475 6.712 -1.945 1.00 0.00 H new ATOM 0 HG SER A 75 -2.969 7.034 0.309 1.00 0.00 H new ATOM 1235 N LYS A 76 -5.972 9.107 -1.367 1.00 0.00 N ATOM 1236 CA LYS A 76 -6.097 10.507 -1.865 1.00 0.00 C ATOM 1237 C LYS A 76 -5.692 11.497 -0.770 1.00 0.00 C ATOM 1238 O LYS A 76 -6.303 12.534 -0.600 1.00 0.00 O ATOM 1239 CB LYS A 76 -7.576 10.673 -2.217 1.00 0.00 C ATOM 1240 CG LYS A 76 -7.715 10.989 -3.707 1.00 0.00 C ATOM 1241 CD LYS A 76 -7.174 12.393 -3.985 1.00 0.00 C ATOM 1242 CE LYS A 76 -8.319 13.302 -4.437 1.00 0.00 C ATOM 1243 NZ LYS A 76 -8.529 14.247 -3.304 1.00 0.00 N ATOM 0 H LYS A 76 -6.101 8.994 -0.361 1.00 0.00 H new ATOM 0 HA LYS A 76 -5.450 10.699 -2.721 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -8.122 9.761 -1.976 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -8.014 11.474 -1.622 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -7.168 10.254 -4.298 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -8.761 10.925 -4.007 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -6.707 12.798 -3.088 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -6.403 12.351 -4.755 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -8.063 13.834 -5.353 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -9.222 12.727 -4.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -9.300 14.904 -3.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -8.778 13.712 -2.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -7.655 14.785 -3.134 1.00 0.00 H new ATOM 1257 N ALA A 77 -4.664 11.188 -0.025 1.00 0.00 N ATOM 1258 CA ALA A 77 -4.224 12.115 1.057 1.00 0.00 C ATOM 1259 C ALA A 77 -3.115 13.020 0.554 1.00 0.00 C ATOM 1260 O ALA A 77 -2.410 13.659 1.308 1.00 0.00 O ATOM 1261 CB ALA A 77 -3.740 11.223 2.201 1.00 0.00 C ATOM 0 H ALA A 77 -4.111 10.336 -0.119 1.00 0.00 H new ATOM 0 HA ALA A 77 -5.031 12.768 1.389 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -3.402 11.845 3.030 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -4.558 10.585 2.536 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -2.914 10.602 1.854 1.00 0.00 H new ATOM 1267 N GLU A 78 -2.970 13.068 -0.723 1.00 0.00 N ATOM 1268 CA GLU A 78 -1.917 13.923 -1.334 1.00 0.00 C ATOM 1269 C GLU A 78 -0.619 13.826 -0.530 1.00 0.00 C ATOM 1270 O GLU A 78 0.180 14.741 -0.510 1.00 0.00 O ATOM 1271 CB GLU A 78 -2.478 15.344 -1.279 1.00 0.00 C ATOM 1272 CG GLU A 78 -2.992 15.745 -2.663 1.00 0.00 C ATOM 1273 CD GLU A 78 -4.522 15.732 -2.664 1.00 0.00 C ATOM 1274 OE1 GLU A 78 -5.086 14.701 -2.337 1.00 0.00 O ATOM 1275 OE2 GLU A 78 -5.103 16.754 -2.992 1.00 0.00 O ATOM 0 H GLU A 78 -3.540 12.547 -1.389 1.00 0.00 H new ATOM 0 HA GLU A 78 -1.680 13.618 -2.353 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -3.286 15.399 -0.550 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -1.705 16.039 -0.951 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -2.626 16.738 -2.925 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -2.612 15.056 -3.417 1.00 0.00 H new ATOM 1282 N LEU A 79 -0.402 12.725 0.137 1.00 0.00 N ATOM 1283 CA LEU A 79 0.846 12.573 0.938 1.00 0.00 C ATOM 1284 C LEU A 79 1.966 11.991 0.072 1.00 0.00 C ATOM 1285 O LEU A 79 3.104 11.903 0.489 1.00 0.00 O ATOM 1286 CB LEU A 79 0.479 11.609 2.069 1.00 0.00 C ATOM 1287 CG LEU A 79 0.374 10.186 1.517 1.00 0.00 C ATOM 1288 CD1 LEU A 79 1.723 9.480 1.665 1.00 0.00 C ATOM 1289 CD2 LEU A 79 -0.692 9.416 2.300 1.00 0.00 C ATOM 0 H LEU A 79 -1.034 11.925 0.162 1.00 0.00 H new ATOM 0 HA LEU A 79 1.209 13.527 1.321 1.00 0.00 H new ATOM 0 HB2 LEU A 79 1.233 11.650 2.855 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -0.468 11.906 2.520 1.00 0.00 H new ATOM 0 HG LEU A 79 0.098 10.224 0.463 1.00 0.00 H new ATOM 0 HD11 LEU A 79 1.648 8.466 1.272 1.00 0.00 H new ATOM 0 HD12 LEU A 79 2.484 10.029 1.110 1.00 0.00 H new ATOM 0 HD13 LEU A 79 2.000 9.441 2.719 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -0.769 8.402 1.909 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -0.414 9.379 3.353 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -1.654 9.919 2.196 1.00 0.00 H new ATOM 1301 N MET A 80 1.653 11.593 -1.132 1.00 0.00 N ATOM 1302 CA MET A 80 2.703 11.018 -2.022 1.00 0.00 C ATOM 1303 C MET A 80 2.180 10.905 -3.456 1.00 0.00 C ATOM 1304 O MET A 80 1.087 11.338 -3.766 1.00 0.00 O ATOM 1305 CB MET A 80 2.991 9.631 -1.450 1.00 0.00 C ATOM 1306 CG MET A 80 4.166 9.714 -0.474 1.00 0.00 C ATOM 1307 SD MET A 80 5.400 8.464 -0.910 1.00 0.00 S ATOM 1308 CE MET A 80 4.277 7.045 -0.958 1.00 0.00 C ATOM 0 H MET A 80 0.718 11.641 -1.537 1.00 0.00 H new ATOM 0 HA MET A 80 3.597 11.640 -2.058 1.00 0.00 H new ATOM 0 HB2 MET A 80 2.108 9.246 -0.940 1.00 0.00 H new ATOM 0 HB3 MET A 80 3.223 8.935 -2.256 1.00 0.00 H new ATOM 0 HG2 MET A 80 4.612 10.708 -0.508 1.00 0.00 H new ATOM 0 HG3 MET A 80 3.817 9.556 0.546 1.00 0.00 H new ATOM 0 HE1 MET A 80 4.844 6.127 -0.804 1.00 0.00 H new ATOM 0 HE2 MET A 80 3.530 7.146 -0.171 1.00 0.00 H new ATOM 0 HE3 MET A 80 3.780 7.007 -1.927 1.00 0.00 H new ATOM 1318 N GLU A 81 2.953 10.324 -4.331 1.00 0.00 N ATOM 1319 CA GLU A 81 2.504 10.177 -5.746 1.00 0.00 C ATOM 1320 C GLU A 81 2.834 8.771 -6.255 1.00 0.00 C ATOM 1321 O GLU A 81 3.979 8.437 -6.484 1.00 0.00 O ATOM 1322 CB GLU A 81 3.292 11.229 -6.525 1.00 0.00 C ATOM 1323 CG GLU A 81 2.533 12.557 -6.505 1.00 0.00 C ATOM 1324 CD GLU A 81 1.802 12.749 -7.834 1.00 0.00 C ATOM 1325 OE1 GLU A 81 2.463 12.733 -8.860 1.00 0.00 O ATOM 1326 OE2 GLU A 81 0.593 12.910 -7.804 1.00 0.00 O ATOM 0 H GLU A 81 3.878 9.944 -4.128 1.00 0.00 H new ATOM 0 HA GLU A 81 1.428 10.314 -5.857 1.00 0.00 H new ATOM 0 HB2 GLU A 81 4.281 11.357 -6.085 1.00 0.00 H new ATOM 0 HB3 GLU A 81 3.441 10.899 -7.553 1.00 0.00 H new ATOM 0 HG2 GLU A 81 1.820 12.567 -5.681 1.00 0.00 H new ATOM 0 HG3 GLU A 81 3.226 13.381 -6.337 1.00 0.00 H new ATOM 1333 N ILE A 82 1.840 7.945 -6.431 1.00 0.00 N ATOM 1334 CA ILE A 82 2.099 6.561 -6.922 1.00 0.00 C ATOM 1335 C ILE A 82 2.088 6.533 -8.452 1.00 0.00 C ATOM 1336 O ILE A 82 1.287 7.186 -9.089 1.00 0.00 O ATOM 1337 CB ILE A 82 0.952 5.720 -6.362 1.00 0.00 C ATOM 1338 CG1 ILE A 82 0.951 5.814 -4.834 1.00 0.00 C ATOM 1339 CG2 ILE A 82 1.136 4.262 -6.782 1.00 0.00 C ATOM 1340 CD1 ILE A 82 -0.225 6.679 -4.376 1.00 0.00 C ATOM 0 H ILE A 82 0.860 8.168 -6.256 1.00 0.00 H new ATOM 0 HA ILE A 82 3.072 6.185 -6.604 1.00 0.00 H new ATOM 0 HB ILE A 82 0.004 6.093 -6.751 1.00 0.00 H new ATOM 0 HG12 ILE A 82 0.875 4.818 -4.398 1.00 0.00 H new ATOM 0 HG13 ILE A 82 1.890 6.244 -4.485 1.00 0.00 H new ATOM 0 HG21 ILE A 82 0.318 3.662 -6.383 1.00 0.00 H new ATOM 0 HG22 ILE A 82 1.138 4.194 -7.870 1.00 0.00 H new ATOM 0 HG23 ILE A 82 2.083 3.888 -6.393 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -0.226 6.746 -3.288 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -0.129 7.678 -4.801 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -1.160 6.230 -4.712 1.00 0.00 H new ATOM 1352 N SER A 83 2.973 5.781 -9.045 1.00 0.00 N ATOM 1353 CA SER A 83 3.015 5.711 -10.533 1.00 0.00 C ATOM 1354 C SER A 83 1.725 5.085 -11.069 1.00 0.00 C ATOM 1355 O SER A 83 0.953 4.504 -10.334 1.00 0.00 O ATOM 1356 CB SER A 83 4.217 4.824 -10.853 1.00 0.00 C ATOM 1357 OG SER A 83 4.617 5.042 -12.199 1.00 0.00 O ATOM 0 H SER A 83 3.669 5.212 -8.564 1.00 0.00 H new ATOM 0 HA SER A 83 3.103 6.696 -10.992 1.00 0.00 H new ATOM 0 HB2 SER A 83 5.041 5.050 -10.176 1.00 0.00 H new ATOM 0 HB3 SER A 83 3.960 3.775 -10.703 1.00 0.00 H new ATOM 0 HG SER A 83 4.557 4.201 -12.698 1.00 0.00 H new ATOM 1363 N GLU A 84 1.488 5.200 -12.347 1.00 0.00 N ATOM 1364 CA GLU A 84 0.248 4.613 -12.931 1.00 0.00 C ATOM 1365 C GLU A 84 0.452 3.124 -13.222 1.00 0.00 C ATOM 1366 O GLU A 84 -0.487 2.397 -13.476 1.00 0.00 O ATOM 1367 CB GLU A 84 0.016 5.386 -14.230 1.00 0.00 C ATOM 1368 CG GLU A 84 -0.061 6.883 -13.926 1.00 0.00 C ATOM 1369 CD GLU A 84 -1.052 7.550 -14.881 1.00 0.00 C ATOM 1370 OE1 GLU A 84 -0.653 7.871 -15.989 1.00 0.00 O ATOM 1371 OE2 GLU A 84 -2.194 7.728 -14.489 1.00 0.00 O ATOM 0 H GLU A 84 2.099 5.675 -13.012 1.00 0.00 H new ATOM 0 HA GLU A 84 -0.602 4.690 -12.254 1.00 0.00 H new ATOM 0 HB2 GLU A 84 0.825 5.188 -14.933 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -0.907 5.052 -14.704 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -0.374 7.039 -12.894 1.00 0.00 H new ATOM 0 HG3 GLU A 84 0.924 7.337 -14.033 1.00 0.00 H new ATOM 1378 N ASP A 85 1.674 2.663 -13.191 1.00 0.00 N ATOM 1379 CA ASP A 85 1.932 1.222 -13.470 1.00 0.00 C ATOM 1380 C ASP A 85 1.448 0.361 -12.299 1.00 0.00 C ATOM 1381 O ASP A 85 1.348 -0.846 -12.404 1.00 0.00 O ATOM 1382 CB ASP A 85 3.449 1.115 -13.623 1.00 0.00 C ATOM 1383 CG ASP A 85 3.796 -0.150 -14.412 1.00 0.00 C ATOM 1384 OD1 ASP A 85 3.222 -0.340 -15.471 1.00 0.00 O ATOM 1385 OD2 ASP A 85 4.629 -0.906 -13.942 1.00 0.00 O ATOM 0 H ASP A 85 2.502 3.221 -12.985 1.00 0.00 H new ATOM 0 HA ASP A 85 1.407 0.872 -14.359 1.00 0.00 H new ATOM 0 HB2 ASP A 85 3.836 1.995 -14.137 1.00 0.00 H new ATOM 0 HB3 ASP A 85 3.923 1.086 -12.642 1.00 0.00 H new ATOM 1390 N LYS A 86 1.142 0.972 -11.188 1.00 0.00 N ATOM 1391 CA LYS A 86 0.661 0.189 -10.013 1.00 0.00 C ATOM 1392 C LYS A 86 1.754 -0.765 -9.521 1.00 0.00 C ATOM 1393 O LYS A 86 1.501 -1.918 -9.234 1.00 0.00 O ATOM 1394 CB LYS A 86 -0.545 -0.599 -10.528 1.00 0.00 C ATOM 1395 CG LYS A 86 -1.424 0.310 -11.391 1.00 0.00 C ATOM 1396 CD LYS A 86 -1.937 1.477 -10.547 1.00 0.00 C ATOM 1397 CE LYS A 86 -3.280 1.956 -11.102 1.00 0.00 C ATOM 1398 NZ LYS A 86 -3.437 3.344 -10.584 1.00 0.00 N ATOM 0 H LYS A 86 1.204 1.980 -11.042 1.00 0.00 H new ATOM 0 HA LYS A 86 0.401 0.831 -9.171 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -0.209 -1.457 -11.111 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -1.122 -0.989 -9.689 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -0.853 0.685 -12.240 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -2.263 -0.256 -11.796 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -2.051 1.166 -9.508 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -1.215 2.293 -10.558 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -3.286 1.938 -12.192 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -4.096 1.315 -10.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -4.379 3.704 -10.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -3.333 3.342 -9.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -2.708 3.956 -11.004 1.00 0.00 H new ATOM 1412 N THR A 87 2.968 -0.295 -9.422 1.00 0.00 N ATOM 1413 CA THR A 87 4.070 -1.182 -8.948 1.00 0.00 C ATOM 1414 C THR A 87 5.187 -0.356 -8.303 1.00 0.00 C ATOM 1415 O THR A 87 6.297 -0.821 -8.138 1.00 0.00 O ATOM 1416 CB THR A 87 4.581 -1.883 -10.208 1.00 0.00 C ATOM 1417 OG1 THR A 87 5.496 -2.906 -9.840 1.00 0.00 O ATOM 1418 CG2 THR A 87 5.285 -0.866 -11.108 1.00 0.00 C ATOM 0 H THR A 87 3.244 0.661 -9.648 1.00 0.00 H new ATOM 0 HA THR A 87 3.730 -1.890 -8.193 1.00 0.00 H new ATOM 0 HB THR A 87 3.742 -2.322 -10.747 1.00 0.00 H new ATOM 0 HG1 THR A 87 6.114 -2.563 -9.161 1.00 0.00 H new ATOM 0 HG21 THR A 87 5.649 -1.365 -12.006 1.00 0.00 H new ATOM 0 HG22 THR A 87 4.583 -0.081 -11.389 1.00 0.00 H new ATOM 0 HG23 THR A 87 6.126 -0.426 -10.571 1.00 0.00 H new ATOM 1426 N LYS A 88 4.905 0.864 -7.939 1.00 0.00 N ATOM 1427 CA LYS A 88 5.957 1.713 -7.306 1.00 0.00 C ATOM 1428 C LYS A 88 5.316 2.884 -6.556 1.00 0.00 C ATOM 1429 O LYS A 88 4.214 3.300 -6.856 1.00 0.00 O ATOM 1430 CB LYS A 88 6.820 2.213 -8.465 1.00 0.00 C ATOM 1431 CG LYS A 88 5.940 2.919 -9.500 1.00 0.00 C ATOM 1432 CD LYS A 88 6.828 3.601 -10.546 1.00 0.00 C ATOM 1433 CE LYS A 88 7.969 2.662 -10.943 1.00 0.00 C ATOM 1434 NZ LYS A 88 8.830 3.466 -11.854 1.00 0.00 N ATOM 0 H LYS A 88 3.995 1.310 -8.051 1.00 0.00 H new ATOM 0 HA LYS A 88 6.547 1.161 -6.575 1.00 0.00 H new ATOM 0 HB2 LYS A 88 7.582 2.898 -8.094 1.00 0.00 H new ATOM 0 HB3 LYS A 88 7.343 1.376 -8.929 1.00 0.00 H new ATOM 0 HG2 LYS A 88 5.279 2.199 -9.982 1.00 0.00 H new ATOM 0 HG3 LYS A 88 5.305 3.657 -9.010 1.00 0.00 H new ATOM 0 HD2 LYS A 88 6.237 3.863 -11.424 1.00 0.00 H new ATOM 0 HD3 LYS A 88 7.232 4.530 -10.144 1.00 0.00 H new ATOM 0 HE2 LYS A 88 8.526 2.326 -10.068 1.00 0.00 H new ATOM 0 HE3 LYS A 88 7.591 1.770 -11.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 9.636 2.889 -12.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 8.275 3.767 -12.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 9.181 4.305 -11.349 1.00 0.00 H new ATOM 1448 N ILE A 89 6.002 3.424 -5.584 1.00 0.00 N ATOM 1449 CA ILE A 89 5.440 4.571 -4.814 1.00 0.00 C ATOM 1450 C ILE A 89 6.504 5.658 -4.643 1.00 0.00 C ATOM 1451 O ILE A 89 7.684 5.379 -4.571 1.00 0.00 O ATOM 1452 CB ILE A 89 5.046 3.983 -3.462 1.00 0.00 C ATOM 1453 CG1 ILE A 89 6.178 3.093 -2.943 1.00 0.00 C ATOM 1454 CG2 ILE A 89 3.777 3.146 -3.625 1.00 0.00 C ATOM 1455 CD1 ILE A 89 6.185 3.115 -1.414 1.00 0.00 C ATOM 0 H ILE A 89 6.930 3.119 -5.290 1.00 0.00 H new ATOM 0 HA ILE A 89 4.591 5.035 -5.316 1.00 0.00 H new ATOM 0 HB ILE A 89 4.864 4.790 -2.753 1.00 0.00 H new ATOM 0 HG12 ILE A 89 6.046 2.072 -3.302 1.00 0.00 H new ATOM 0 HG13 ILE A 89 7.136 3.444 -3.327 1.00 0.00 H new ATOM 0 HG21 ILE A 89 3.493 2.724 -2.661 1.00 0.00 H new ATOM 0 HG22 ILE A 89 2.970 3.777 -3.997 1.00 0.00 H new ATOM 0 HG23 ILE A 89 3.962 2.339 -4.334 1.00 0.00 H new ATOM 0 HD11 ILE A 89 6.991 2.481 -1.045 1.00 0.00 H new ATOM 0 HD12 ILE A 89 6.338 4.136 -1.066 1.00 0.00 H new ATOM 0 HD13 ILE A 89 5.231 2.743 -1.040 1.00 0.00 H new ATOM 1467 N ARG A 90 6.099 6.898 -4.588 1.00 0.00 N ATOM 1468 CA ARG A 90 7.093 7.999 -4.433 1.00 0.00 C ATOM 1469 C ARG A 90 6.469 9.188 -3.695 1.00 0.00 C ATOM 1470 O ARG A 90 5.266 9.358 -3.677 1.00 0.00 O ATOM 1471 CB ARG A 90 7.469 8.389 -5.865 1.00 0.00 C ATOM 1472 CG ARG A 90 7.973 9.833 -5.895 1.00 0.00 C ATOM 1473 CD ARG A 90 8.501 10.162 -7.293 1.00 0.00 C ATOM 1474 NE ARG A 90 7.501 11.105 -7.869 1.00 0.00 N ATOM 1475 CZ ARG A 90 7.803 11.815 -8.922 1.00 0.00 C ATOM 1476 NH1 ARG A 90 8.981 11.698 -9.473 1.00 0.00 N ATOM 1477 NH2 ARG A 90 6.928 12.642 -9.423 1.00 0.00 N ATOM 0 H ARG A 90 5.125 7.196 -4.644 1.00 0.00 H new ATOM 0 HA ARG A 90 7.961 7.693 -3.849 1.00 0.00 H new ATOM 0 HB2 ARG A 90 8.240 7.718 -6.244 1.00 0.00 H new ATOM 0 HB3 ARG A 90 6.604 8.283 -6.519 1.00 0.00 H new ATOM 0 HG2 ARG A 90 7.166 10.516 -5.630 1.00 0.00 H new ATOM 0 HG3 ARG A 90 8.762 9.969 -5.156 1.00 0.00 H new ATOM 0 HD2 ARG A 90 9.490 10.617 -7.245 1.00 0.00 H new ATOM 0 HD3 ARG A 90 8.593 9.263 -7.902 1.00 0.00 H new ATOM 0 HE ARG A 90 6.580 11.196 -7.440 1.00 0.00 H new ATOM 0 HH11 ARG A 90 9.666 11.052 -9.081 1.00 0.00 H new ATOM 0 HH12 ARG A 90 9.217 12.253 -10.296 1.00 0.00 H new ATOM 0 HH21 ARG A 90 6.008 12.734 -8.992 1.00 0.00 H new ATOM 0 HH22 ARG A 90 7.164 13.197 -10.246 1.00 0.00 H new ATOM 1491 N ARG A 91 7.282 10.026 -3.108 1.00 0.00 N ATOM 1492 CA ARG A 91 6.742 11.220 -2.397 1.00 0.00 C ATOM 1493 C ARG A 91 6.625 12.373 -3.398 1.00 0.00 C ATOM 1494 O ARG A 91 7.506 12.591 -4.204 1.00 0.00 O ATOM 1495 CB ARG A 91 7.765 11.522 -1.289 1.00 0.00 C ATOM 1496 CG ARG A 91 8.378 12.916 -1.477 1.00 0.00 C ATOM 1497 CD ARG A 91 7.383 13.992 -1.026 1.00 0.00 C ATOM 1498 NE ARG A 91 6.826 13.492 0.264 1.00 0.00 N ATOM 1499 CZ ARG A 91 5.542 13.564 0.503 1.00 0.00 C ATOM 1500 NH1 ARG A 91 4.734 14.089 -0.379 1.00 0.00 N ATOM 1501 NH2 ARG A 91 5.067 13.114 1.632 1.00 0.00 N ATOM 0 H ARG A 91 8.298 9.934 -3.091 1.00 0.00 H new ATOM 0 HA ARG A 91 5.751 11.065 -1.970 1.00 0.00 H new ATOM 0 HB2 ARG A 91 7.280 11.462 -0.314 1.00 0.00 H new ATOM 0 HB3 ARG A 91 8.553 10.769 -1.301 1.00 0.00 H new ATOM 0 HG2 ARG A 91 9.300 12.997 -0.901 1.00 0.00 H new ATOM 0 HG3 ARG A 91 8.641 13.068 -2.524 1.00 0.00 H new ATOM 0 HD2 ARG A 91 7.877 14.955 -0.895 1.00 0.00 H new ATOM 0 HD3 ARG A 91 6.596 14.135 -1.766 1.00 0.00 H new ATOM 0 HE ARG A 91 7.450 13.091 0.964 1.00 0.00 H new ATOM 0 HH11 ARG A 91 5.103 14.446 -1.260 1.00 0.00 H new ATOM 0 HH12 ARG A 91 3.734 14.142 -0.186 1.00 0.00 H new ATOM 0 HH21 ARG A 91 5.696 12.708 2.324 1.00 0.00 H new ATOM 0 HH22 ARG A 91 4.066 13.168 1.822 1.00 0.00 H new ATOM 1515 N SER A 92 5.542 13.098 -3.374 1.00 0.00 N ATOM 1516 CA SER A 92 5.381 14.211 -4.348 1.00 0.00 C ATOM 1517 C SER A 92 6.437 15.289 -4.106 1.00 0.00 C ATOM 1518 O SER A 92 6.367 16.024 -3.141 1.00 0.00 O ATOM 1519 CB SER A 92 3.983 14.766 -4.085 1.00 0.00 C ATOM 1520 OG SER A 92 3.025 13.731 -4.269 1.00 0.00 O ATOM 0 H SER A 92 4.765 12.969 -2.725 1.00 0.00 H new ATOM 0 HA SER A 92 5.503 13.876 -5.378 1.00 0.00 H new ATOM 0 HB2 SER A 92 3.920 15.159 -3.070 1.00 0.00 H new ATOM 0 HB3 SER A 92 3.775 15.595 -4.762 1.00 0.00 H new ATOM 0 HG SER A 92 2.126 14.083 -4.099 1.00 0.00 H new ATOM 1526 N PRO A 93 7.380 15.352 -5.007 1.00 0.00 N ATOM 1527 CA PRO A 93 8.462 16.360 -4.901 1.00 0.00 C ATOM 1528 C PRO A 93 7.852 17.754 -5.010 1.00 0.00 C ATOM 1529 O PRO A 93 8.385 18.723 -4.508 1.00 0.00 O ATOM 1530 CB PRO A 93 9.367 16.064 -6.097 1.00 0.00 C ATOM 1531 CG PRO A 93 8.532 15.248 -7.033 1.00 0.00 C ATOM 1532 CD PRO A 93 7.525 14.508 -6.195 1.00 0.00 C ATOM 0 HA PRO A 93 9.009 16.319 -3.959 1.00 0.00 H new ATOM 0 HB2 PRO A 93 9.704 16.985 -6.572 1.00 0.00 H new ATOM 0 HB3 PRO A 93 10.259 15.519 -5.789 1.00 0.00 H new ATOM 0 HG2 PRO A 93 8.032 15.887 -7.761 1.00 0.00 H new ATOM 0 HG3 PRO A 93 9.153 14.550 -7.595 1.00 0.00 H new ATOM 0 HD2 PRO A 93 6.577 14.388 -6.720 1.00 0.00 H new ATOM 0 HD3 PRO A 93 7.875 13.509 -5.937 1.00 0.00 H new ATOM 1540 N SER A 94 6.727 17.852 -5.661 1.00 0.00 N ATOM 1541 CA SER A 94 6.060 19.172 -5.806 1.00 0.00 C ATOM 1542 C SER A 94 5.332 19.526 -4.508 1.00 0.00 C ATOM 1543 O SER A 94 4.800 20.608 -4.362 1.00 0.00 O ATOM 1544 CB SER A 94 5.064 18.992 -6.951 1.00 0.00 C ATOM 1545 OG SER A 94 5.768 18.644 -8.135 1.00 0.00 O ATOM 0 H SER A 94 6.240 17.071 -6.100 1.00 0.00 H new ATOM 0 HA SER A 94 6.766 19.977 -6.011 1.00 0.00 H new ATOM 0 HB2 SER A 94 4.342 18.214 -6.702 1.00 0.00 H new ATOM 0 HB3 SER A 94 4.501 19.912 -7.106 1.00 0.00 H new ATOM 0 HG SER A 94 5.132 18.526 -8.871 1.00 0.00 H new ATOM 1551 N LYS A 95 5.324 18.632 -3.553 1.00 0.00 N ATOM 1552 CA LYS A 95 4.655 18.934 -2.256 1.00 0.00 C ATOM 1553 C LYS A 95 5.694 18.871 -1.132 1.00 0.00 C ATOM 1554 O LYS A 95 6.413 17.899 -1.012 1.00 0.00 O ATOM 1555 CB LYS A 95 3.602 17.836 -2.083 1.00 0.00 C ATOM 1556 CG LYS A 95 2.401 18.134 -2.981 1.00 0.00 C ATOM 1557 CD LYS A 95 1.547 19.233 -2.345 1.00 0.00 C ATOM 1558 CE LYS A 95 0.066 18.942 -2.601 1.00 0.00 C ATOM 1559 NZ LYS A 95 -0.560 20.279 -2.795 1.00 0.00 N ATOM 0 H LYS A 95 5.751 17.708 -3.617 1.00 0.00 H new ATOM 0 HA LYS A 95 4.202 19.925 -2.232 1.00 0.00 H new ATOM 0 HB2 LYS A 95 4.028 16.866 -2.338 1.00 0.00 H new ATOM 0 HB3 LYS A 95 3.286 17.782 -1.041 1.00 0.00 H new ATOM 0 HG2 LYS A 95 2.741 18.448 -3.968 1.00 0.00 H new ATOM 0 HG3 LYS A 95 1.806 17.232 -3.121 1.00 0.00 H new ATOM 0 HD2 LYS A 95 1.739 19.283 -1.273 1.00 0.00 H new ATOM 0 HD3 LYS A 95 1.815 20.204 -2.762 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -0.066 18.312 -3.481 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -0.384 18.414 -1.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -1.578 20.163 -2.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -0.424 20.854 -1.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -0.116 20.756 -3.606 1.00 0.00 H new ATOM 1573 N PRO A 96 5.749 19.912 -0.350 1.00 0.00 N ATOM 1574 CA PRO A 96 6.724 19.968 0.762 1.00 0.00 C ATOM 1575 C PRO A 96 6.438 18.883 1.799 1.00 0.00 C ATOM 1576 O PRO A 96 5.306 18.515 2.042 1.00 0.00 O ATOM 1577 CB PRO A 96 6.533 21.346 1.375 1.00 0.00 C ATOM 1578 CG PRO A 96 5.202 21.826 0.881 1.00 0.00 C ATOM 1579 CD PRO A 96 4.922 21.118 -0.422 1.00 0.00 C ATOM 0 HA PRO A 96 7.744 19.802 0.415 1.00 0.00 H new ATOM 0 HB2 PRO A 96 6.552 21.297 2.464 1.00 0.00 H new ATOM 0 HB3 PRO A 96 7.331 22.024 1.072 1.00 0.00 H new ATOM 0 HG2 PRO A 96 4.421 21.610 1.610 1.00 0.00 H new ATOM 0 HG3 PRO A 96 5.213 22.906 0.736 1.00 0.00 H new ATOM 0 HD2 PRO A 96 3.865 20.872 -0.525 1.00 0.00 H new ATOM 0 HD3 PRO A 96 5.190 21.736 -1.279 1.00 0.00 H new ATOM 1587 N LEU A 97 7.464 18.398 2.432 1.00 0.00 N ATOM 1588 CA LEU A 97 7.287 17.368 3.485 1.00 0.00 C ATOM 1589 C LEU A 97 7.896 17.898 4.775 1.00 0.00 C ATOM 1590 O LEU A 97 9.074 18.187 4.845 1.00 0.00 O ATOM 1591 CB LEU A 97 7.990 16.100 2.992 1.00 0.00 C ATOM 1592 CG LEU A 97 9.411 16.013 3.554 1.00 0.00 C ATOM 1593 CD1 LEU A 97 9.353 15.622 5.033 1.00 0.00 C ATOM 1594 CD2 LEU A 97 10.197 14.949 2.781 1.00 0.00 C ATOM 0 H LEU A 97 8.431 18.676 2.262 1.00 0.00 H new ATOM 0 HA LEU A 97 6.240 17.138 3.682 1.00 0.00 H new ATOM 0 HB2 LEU A 97 7.420 15.222 3.295 1.00 0.00 H new ATOM 0 HB3 LEU A 97 8.024 16.098 1.903 1.00 0.00 H new ATOM 0 HG LEU A 97 9.902 16.981 3.452 1.00 0.00 H new ATOM 0 HD11 LEU A 97 10.365 15.560 5.433 1.00 0.00 H new ATOM 0 HD12 LEU A 97 8.790 16.373 5.586 1.00 0.00 H new ATOM 0 HD13 LEU A 97 8.863 14.654 5.134 1.00 0.00 H new ATOM 0 HD21 LEU A 97 11.210 14.884 3.179 1.00 0.00 H new ATOM 0 HD22 LEU A 97 9.703 13.983 2.887 1.00 0.00 H new ATOM 0 HD23 LEU A 97 10.238 15.222 1.726 1.00 0.00 H new ATOM 1606 N PRO A 98 7.055 18.048 5.735 1.00 0.00 N ATOM 1607 CA PRO A 98 7.459 18.596 7.038 1.00 0.00 C ATOM 1608 C PRO A 98 7.841 17.492 8.023 1.00 0.00 C ATOM 1609 O PRO A 98 7.424 16.357 7.903 1.00 0.00 O ATOM 1610 CB PRO A 98 6.191 19.284 7.461 1.00 0.00 C ATOM 1611 CG PRO A 98 5.111 18.364 6.975 1.00 0.00 C ATOM 1612 CD PRO A 98 5.628 17.728 5.711 1.00 0.00 C ATOM 0 HA PRO A 98 8.337 19.241 6.998 1.00 0.00 H new ATOM 0 HB2 PRO A 98 6.148 19.416 8.542 1.00 0.00 H new ATOM 0 HB3 PRO A 98 6.104 20.275 7.015 1.00 0.00 H new ATOM 0 HG2 PRO A 98 4.880 17.607 7.724 1.00 0.00 H new ATOM 0 HG3 PRO A 98 4.190 18.914 6.784 1.00 0.00 H new ATOM 0 HD2 PRO A 98 5.457 16.652 5.703 1.00 0.00 H new ATOM 0 HD3 PRO A 98 5.139 18.135 4.826 1.00 0.00 H new ATOM 1620 N GLU A 99 8.633 17.828 8.999 1.00 0.00 N ATOM 1621 CA GLU A 99 9.054 16.816 10.009 1.00 0.00 C ATOM 1622 C GLU A 99 8.317 17.053 11.330 1.00 0.00 C ATOM 1623 O GLU A 99 8.335 18.138 11.876 1.00 0.00 O ATOM 1624 CB GLU A 99 10.556 17.039 10.188 1.00 0.00 C ATOM 1625 CG GLU A 99 11.143 15.912 11.040 1.00 0.00 C ATOM 1626 CD GLU A 99 12.671 15.968 10.979 1.00 0.00 C ATOM 1627 OE1 GLU A 99 13.198 17.052 10.793 1.00 0.00 O ATOM 1628 OE2 GLU A 99 13.288 14.924 11.120 1.00 0.00 O ATOM 0 H GLU A 99 9.010 18.765 9.143 1.00 0.00 H new ATOM 0 HA GLU A 99 8.827 15.797 9.695 1.00 0.00 H new ATOM 0 HB2 GLU A 99 11.048 17.068 9.216 1.00 0.00 H new ATOM 0 HB3 GLU A 99 10.737 18.002 10.666 1.00 0.00 H new ATOM 0 HG2 GLU A 99 10.806 16.009 12.072 1.00 0.00 H new ATOM 0 HG3 GLU A 99 10.789 14.946 10.678 1.00 0.00 H new ATOM 1635 N VAL A 100 7.666 16.048 11.846 1.00 0.00 N ATOM 1636 CA VAL A 100 6.927 16.220 13.130 1.00 0.00 C ATOM 1637 C VAL A 100 7.801 15.783 14.310 1.00 0.00 C ATOM 1638 O VAL A 100 8.468 14.770 14.258 1.00 0.00 O ATOM 1639 CB VAL A 100 5.702 15.316 13.007 1.00 0.00 C ATOM 1640 CG1 VAL A 100 4.977 15.612 11.693 1.00 0.00 C ATOM 1641 CG2 VAL A 100 6.147 13.851 13.024 1.00 0.00 C ATOM 0 H VAL A 100 7.613 15.116 11.436 1.00 0.00 H new ATOM 0 HA VAL A 100 6.651 17.259 13.309 1.00 0.00 H new ATOM 0 HB VAL A 100 5.028 15.503 13.843 1.00 0.00 H new ATOM 0 HG11 VAL A 100 4.103 14.966 11.606 1.00 0.00 H new ATOM 0 HG12 VAL A 100 4.661 16.655 11.679 1.00 0.00 H new ATOM 0 HG13 VAL A 100 5.650 15.426 10.856 1.00 0.00 H new ATOM 0 HG21 VAL A 100 5.274 13.204 12.936 1.00 0.00 H new ATOM 0 HG22 VAL A 100 6.821 13.666 12.188 1.00 0.00 H new ATOM 0 HG23 VAL A 100 6.663 13.638 13.960 1.00 0.00 H new ATOM 1651 N THR A 101 7.801 16.542 15.372 1.00 0.00 N ATOM 1652 CA THR A 101 8.630 16.169 16.555 1.00 0.00 C ATOM 1653 C THR A 101 7.753 15.521 17.630 1.00 0.00 C ATOM 1654 O THR A 101 6.704 16.027 17.977 1.00 0.00 O ATOM 1655 CB THR A 101 9.214 17.488 17.061 1.00 0.00 C ATOM 1656 OG1 THR A 101 8.190 18.473 17.102 1.00 0.00 O ATOM 1657 CG2 THR A 101 10.331 17.948 16.122 1.00 0.00 C ATOM 0 H THR A 101 7.264 17.403 15.472 1.00 0.00 H new ATOM 0 HA THR A 101 9.409 15.449 16.304 1.00 0.00 H new ATOM 0 HB THR A 101 9.621 17.345 18.062 1.00 0.00 H new ATOM 0 HG1 THR A 101 7.350 18.060 17.391 1.00 0.00 H new ATOM 0 HG21 THR A 101 10.746 18.888 16.484 1.00 0.00 H new ATOM 0 HG22 THR A 101 11.116 17.192 16.092 1.00 0.00 H new ATOM 0 HG23 THR A 101 9.928 18.092 15.120 1.00 0.00 H new ATOM 1665 N ASP A 102 8.172 14.403 18.157 1.00 0.00 N ATOM 1666 CA ASP A 102 7.361 13.723 19.207 1.00 0.00 C ATOM 1667 C ASP A 102 7.772 14.217 20.597 1.00 0.00 C ATOM 1668 O ASP A 102 8.912 14.567 20.830 1.00 0.00 O ATOM 1669 CB ASP A 102 7.677 12.236 19.050 1.00 0.00 C ATOM 1670 CG ASP A 102 9.118 11.970 19.488 1.00 0.00 C ATOM 1671 OD1 ASP A 102 9.977 12.766 19.146 1.00 0.00 O ATOM 1672 OD2 ASP A 102 9.338 10.976 20.159 1.00 0.00 O ATOM 0 H ASP A 102 9.041 13.931 17.906 1.00 0.00 H new ATOM 0 HA ASP A 102 6.295 13.926 19.102 1.00 0.00 H new ATOM 0 HB2 ASP A 102 6.988 11.642 19.650 1.00 0.00 H new ATOM 0 HB3 ASP A 102 7.539 11.932 18.012 1.00 0.00 H new ATOM 1677 N GLU A 103 6.852 14.246 21.522 1.00 0.00 N ATOM 1678 CA GLU A 103 7.190 14.716 22.896 1.00 0.00 C ATOM 1679 C GLU A 103 6.466 13.860 23.940 1.00 0.00 C ATOM 1680 O GLU A 103 5.371 14.234 24.327 1.00 0.00 O ATOM 1681 CB GLU A 103 6.698 16.162 22.953 1.00 0.00 C ATOM 1682 CG GLU A 103 5.283 16.244 22.374 1.00 0.00 C ATOM 1683 CD GLU A 103 4.528 17.400 23.032 1.00 0.00 C ATOM 1684 OE1 GLU A 103 3.961 17.186 24.091 1.00 0.00 O ATOM 1685 OE2 GLU A 103 4.530 18.481 22.466 1.00 0.00 O ATOM 1686 OXT GLU A 103 7.020 12.847 24.334 1.00 0.00 O ATOM 0 H GLU A 103 5.881 13.965 21.386 1.00 0.00 H new ATOM 0 HA GLU A 103 8.257 14.641 23.108 1.00 0.00 H new ATOM 0 HB2 GLU A 103 6.702 16.518 23.983 1.00 0.00 H new ATOM 0 HB3 GLU A 103 7.371 16.809 22.390 1.00 0.00 H new ATOM 0 HG2 GLU A 103 5.328 16.393 21.295 1.00 0.00 H new ATOM 0 HG3 GLU A 103 4.754 15.306 22.545 1.00 0.00 H new TER 1693 GLU A 103