USER MOD reduce.3.24.130724 H: found=0, std=0, add=761, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 762 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 33 ASN : amide:sc= -0.945 K(o=-0.52,f=-5.5!) USER MOD Set 1.2: A 62 LYS NZ :NH3+ -109:sc= 0.275 (180deg=0) USER MOD Set 1.3: A 80 SER OG : rot 180:sc= 0.148 USER MOD Set 2.1: A 26 GLN : amide:sc= 0.799 K(o=1.7,f=-3) USER MOD Set 2.2: A 30 LYS NZ :NH3+ -124:sc= 0.913 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 28:sc= 0.0858 USER MOD Single : A 5 ASN : amide:sc= -1.14 K(o=-1.1,f=-4.9!) USER MOD Single : A 14 ASN : amide:sc= -1.3 K(o=-1.3,f=0) USER MOD Single : A 16 HIS : no HD1:sc= 0.843 K(o=0.84,f=-4.8!) USER MOD Single : A 20 THR OG1 : rot 59:sc= 0.488 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 GLN : amide:sc= -1.18! C(o=-1.2!,f=-2.7!) USER MOD Single : A 36 SER OG : rot -101:sc= 1.36 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ -177:sc= 0.481 (180deg=0.15) USER MOD Single : A 41 ASN : amide:sc= -0.293 K(o=-0.29,f=-2.8!) USER MOD Single : A 52 THR OG1 : rot 89:sc= 1.27 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 HIS : no HD1:sc= -1.33 X(o=-1.3,f=-1.3) USER MOD Single : A 59 LYS NZ :NH3+ 163:sc= 1.21 (180deg=1.07) USER MOD Single : A 69 LYS NZ :NH3+ 154:sc= 1.19 (180deg=1.16) USER MOD Single : A 70 ASN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 75 MET CE :methyl -165:sc= -0.0987 (180deg=-0.464) USER MOD Single : A 78 LYS NZ :NH3+ 158:sc= 1.21 (180deg=1.1) USER MOD Single : A 81 LYS NZ :NH3+ -176:sc= 1.11 (180deg=1.02) USER MOD Single : A 85 LYS NZ :NH3+ 158:sc= 1.29 (180deg=1.03) USER MOD Single : A 86 LYS NZ :NH3+ -163:sc= -0.0272 (180deg=-0.225) USER MOD Single : A 91 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0311) USER MOD ----------------------------------------------------------------- ATOM 28 N THR A 3 -4.982 5.464 11.546 1.00 0.54 N ATOM 29 CA THR A 3 -4.060 4.474 11.018 1.00 0.49 C ATOM 30 C THR A 3 -4.643 3.071 11.110 1.00 0.44 C ATOM 31 O THR A 3 -5.034 2.622 12.185 1.00 0.46 O ATOM 32 CB THR A 3 -2.727 4.538 11.792 1.00 0.50 C ATOM 33 OG1 THR A 3 -2.152 5.839 11.610 1.00 0.75 O ATOM 34 CG2 THR A 3 -1.743 3.464 11.313 1.00 0.62 C ATOM 0 HA THR A 3 -3.885 4.700 9.966 1.00 0.49 H new ATOM 0 HB THR A 3 -2.927 4.353 12.847 1.00 0.50 H new ATOM 0 HG1 THR A 3 -2.865 6.493 11.457 1.00 0.75 H new ATOM 0 HG21 THR A 3 -0.816 3.540 11.881 1.00 0.62 H new ATOM 0 HG22 THR A 3 -2.180 2.477 11.463 1.00 0.62 H new ATOM 0 HG23 THR A 3 -1.532 3.610 10.254 1.00 0.62 H new ATOM 42 N ARG A 4 -4.724 2.376 9.973 1.00 0.42 N ATOM 43 CA ARG A 4 -5.246 1.023 9.966 1.00 0.40 C ATOM 44 C ARG A 4 -4.108 0.010 9.886 1.00 0.40 C ATOM 45 O ARG A 4 -3.213 0.081 9.027 1.00 0.43 O ATOM 46 CB ARG A 4 -6.280 0.805 8.840 1.00 0.40 C ATOM 47 CG ARG A 4 -5.769 1.029 7.422 1.00 0.37 C ATOM 48 CD ARG A 4 -6.858 0.719 6.397 1.00 0.39 C ATOM 49 NE ARG A 4 -6.552 1.256 5.067 1.00 0.36 N ATOM 50 CZ ARG A 4 -7.345 1.099 3.999 1.00 0.36 C ATOM 51 NH1 ARG A 4 -8.414 0.315 4.063 1.00 0.38 N ATOM 52 NH2 ARG A 4 -7.049 1.700 2.852 1.00 0.40 N ATOM 0 H ARG A 4 -4.437 2.729 9.060 1.00 0.42 H new ATOM 0 HA ARG A 4 -5.774 0.868 10.907 1.00 0.40 H new ATOM 0 HB2 ARG A 4 -6.660 -0.214 8.913 1.00 0.40 H new ATOM 0 HB3 ARG A 4 -7.124 1.473 9.012 1.00 0.40 H new ATOM 0 HG2 ARG A 4 -5.440 2.062 7.308 1.00 0.37 H new ATOM 0 HG3 ARG A 4 -4.901 0.396 7.239 1.00 0.37 H new ATOM 0 HD2 ARG A 4 -6.989 -0.361 6.327 1.00 0.39 H new ATOM 0 HD3 ARG A 4 -7.805 1.133 6.743 1.00 0.39 H new ATOM 0 HE ARG A 4 -5.685 1.780 4.948 1.00 0.36 H new ATOM 0 HH11 ARG A 4 -8.637 -0.174 4.930 1.00 0.38 H new ATOM 0 HH12 ARG A 4 -9.013 0.201 3.245 1.00 0.38 H new ATOM 0 HH21 ARG A 4 -6.215 2.284 2.782 1.00 0.40 H new ATOM 0 HH22 ARG A 4 -7.655 1.578 2.041 1.00 0.40 H new ATOM 66 N ASN A 5 -4.114 -0.910 10.822 1.00 0.39 N ATOM 67 CA ASN A 5 -3.093 -1.930 10.861 1.00 0.40 C ATOM 68 C ASN A 5 -3.492 -3.083 9.974 1.00 0.37 C ATOM 69 O ASN A 5 -4.656 -3.223 9.602 1.00 0.37 O ATOM 70 CB ASN A 5 -2.845 -2.421 12.290 1.00 0.43 C ATOM 71 CG ASN A 5 -2.458 -1.300 13.233 1.00 0.47 C ATOM 72 OD1 ASN A 5 -1.372 -0.737 13.131 1.00 0.55 O ATOM 73 ND2 ASN A 5 -3.340 -0.972 14.165 1.00 0.53 N ATOM 0 H ASN A 5 -4.811 -0.973 11.564 1.00 0.39 H new ATOM 0 HA ASN A 5 -2.163 -1.495 10.495 1.00 0.40 H new ATOM 0 HB2 ASN A 5 -3.745 -2.910 12.663 1.00 0.43 H new ATOM 0 HB3 ASN A 5 -2.055 -3.172 12.280 1.00 0.43 H new ATOM 0 HD21 ASN A 5 -3.127 -0.228 14.830 1.00 0.53 H new ATOM 0 HD22 ASN A 5 -4.232 -1.463 14.218 1.00 0.53 H new ATOM 80 N PHE A 6 -2.531 -3.898 9.628 1.00 0.36 N ATOM 81 CA PHE A 6 -2.783 -5.036 8.779 1.00 0.34 C ATOM 82 C PHE A 6 -2.103 -6.262 9.376 1.00 0.35 C ATOM 83 O PHE A 6 -0.942 -6.195 9.770 1.00 0.37 O ATOM 84 CB PHE A 6 -2.280 -4.745 7.357 1.00 0.33 C ATOM 85 CG PHE A 6 -3.141 -3.766 6.590 1.00 0.33 C ATOM 86 CD1 PHE A 6 -4.272 -4.210 5.923 1.00 0.32 C ATOM 87 CD2 PHE A 6 -2.816 -2.409 6.520 1.00 0.34 C ATOM 88 CE1 PHE A 6 -5.061 -3.330 5.205 1.00 0.33 C ATOM 89 CE2 PHE A 6 -3.603 -1.534 5.799 1.00 0.35 C ATOM 90 CZ PHE A 6 -4.725 -1.993 5.142 1.00 0.34 C ATOM 0 H PHE A 6 -1.560 -3.795 9.922 1.00 0.36 H new ATOM 0 HA PHE A 6 -3.853 -5.232 8.717 1.00 0.34 H new ATOM 0 HB2 PHE A 6 -1.265 -4.353 7.415 1.00 0.33 H new ATOM 0 HB3 PHE A 6 -2.229 -5.681 6.802 1.00 0.33 H new ATOM 0 HD1 PHE A 6 -4.540 -5.255 5.964 1.00 0.32 H new ATOM 0 HD2 PHE A 6 -1.941 -2.041 7.035 1.00 0.34 H new ATOM 0 HE1 PHE A 6 -5.941 -3.690 4.693 1.00 0.33 H new ATOM 0 HE2 PHE A 6 -3.340 -0.488 5.749 1.00 0.35 H new ATOM 0 HZ PHE A 6 -5.340 -1.307 4.579 1.00 0.34 H new ATOM 100 N VAL A 7 -2.817 -7.376 9.433 1.00 0.34 N ATOM 101 CA VAL A 7 -2.272 -8.601 10.019 1.00 0.36 C ATOM 102 C VAL A 7 -2.034 -9.625 8.921 1.00 0.35 C ATOM 103 O VAL A 7 -2.967 -10.308 8.491 1.00 0.33 O ATOM 104 CB VAL A 7 -3.214 -9.215 11.087 1.00 0.38 C ATOM 105 CG1 VAL A 7 -2.403 -9.600 12.337 1.00 0.42 C ATOM 106 CG2 VAL A 7 -4.330 -8.218 11.478 1.00 0.40 C ATOM 0 H VAL A 7 -3.771 -7.462 9.084 1.00 0.34 H new ATOM 0 HA VAL A 7 -1.337 -8.337 10.512 1.00 0.36 H new ATOM 0 HB VAL A 7 -3.679 -10.105 10.663 1.00 0.38 H new ATOM 0 HG11 VAL A 7 -3.069 -10.031 13.084 1.00 0.42 H new ATOM 0 HG12 VAL A 7 -1.641 -10.331 12.066 1.00 0.42 H new ATOM 0 HG13 VAL A 7 -1.924 -8.711 12.748 1.00 0.42 H new ATOM 0 HG21 VAL A 7 -4.977 -8.672 12.228 1.00 0.40 H new ATOM 0 HG22 VAL A 7 -3.882 -7.312 11.886 1.00 0.40 H new ATOM 0 HG23 VAL A 7 -4.918 -7.966 10.596 1.00 0.40 H new ATOM 116 N LEU A 8 -0.786 -9.737 8.470 1.00 0.37 N ATOM 117 CA LEU A 8 -0.447 -10.654 7.393 1.00 0.37 C ATOM 118 C LEU A 8 -0.556 -12.110 7.821 1.00 0.38 C ATOM 119 O LEU A 8 -0.060 -12.505 8.876 1.00 0.41 O ATOM 120 CB LEU A 8 0.972 -10.398 6.876 1.00 0.40 C ATOM 121 CG LEU A 8 1.454 -11.386 5.806 1.00 0.42 C ATOM 122 CD1 LEU A 8 1.108 -10.893 4.411 1.00 0.47 C ATOM 123 CD2 LEU A 8 2.947 -11.631 5.931 1.00 0.66 C ATOM 0 H LEU A 8 0.003 -9.204 8.835 1.00 0.37 H new ATOM 0 HA LEU A 8 -1.169 -10.469 6.598 1.00 0.37 H new ATOM 0 HB2 LEU A 8 1.018 -9.389 6.466 1.00 0.40 H new ATOM 0 HB3 LEU A 8 1.662 -10.431 7.719 1.00 0.40 H new ATOM 0 HG LEU A 8 0.937 -12.332 5.968 1.00 0.42 H new ATOM 0 HD11 LEU A 8 1.461 -11.613 3.673 1.00 0.47 H new ATOM 0 HD12 LEU A 8 0.027 -10.783 4.322 1.00 0.47 H new ATOM 0 HD13 LEU A 8 1.587 -9.929 4.236 1.00 0.47 H new ATOM 0 HD21 LEU A 8 3.266 -12.335 5.162 1.00 0.66 H new ATOM 0 HD22 LEU A 8 3.482 -10.690 5.806 1.00 0.66 H new ATOM 0 HD23 LEU A 8 3.167 -12.045 6.915 1.00 0.66 H new ATOM 135 N ARG A 9 -1.204 -12.899 6.983 1.00 0.37 N ATOM 136 CA ARG A 9 -1.355 -14.315 7.226 1.00 0.39 C ATOM 137 C ARG A 9 -0.576 -15.067 6.163 1.00 0.41 C ATOM 138 O ARG A 9 -0.465 -14.600 5.031 1.00 0.42 O ATOM 139 CB ARG A 9 -2.828 -14.724 7.216 1.00 0.39 C ATOM 140 CG ARG A 9 -3.049 -16.218 7.361 1.00 0.44 C ATOM 141 CD ARG A 9 -4.506 -16.527 7.648 1.00 0.45 C ATOM 142 NE ARG A 9 -4.805 -16.471 9.083 1.00 0.50 N ATOM 143 CZ ARG A 9 -5.949 -16.884 9.633 1.00 0.57 C ATOM 144 NH1 ARG A 9 -6.947 -17.327 8.875 1.00 0.68 N ATOM 145 NH2 ARG A 9 -6.097 -16.832 10.949 1.00 0.64 N ATOM 0 H ARG A 9 -1.638 -12.574 6.119 1.00 0.37 H new ATOM 0 HA ARG A 9 -0.965 -14.560 8.214 1.00 0.39 H new ATOM 0 HB2 ARG A 9 -3.344 -14.209 8.027 1.00 0.39 H new ATOM 0 HB3 ARG A 9 -3.283 -14.387 6.284 1.00 0.39 H new ATOM 0 HG2 ARG A 9 -2.739 -16.725 6.447 1.00 0.44 H new ATOM 0 HG3 ARG A 9 -2.426 -16.605 8.167 1.00 0.44 H new ATOM 0 HD2 ARG A 9 -5.139 -15.816 7.117 1.00 0.45 H new ATOM 0 HD3 ARG A 9 -4.749 -17.518 7.265 1.00 0.45 H new ATOM 0 HE ARG A 9 -4.090 -16.090 9.703 1.00 0.50 H new ATOM 0 HH11 ARG A 9 -6.844 -17.354 7.861 1.00 0.68 H new ATOM 0 HH12 ARG A 9 -7.816 -17.640 9.308 1.00 0.68 H new ATOM 0 HH21 ARG A 9 -5.340 -16.478 11.534 1.00 0.64 H new ATOM 0 HH22 ARG A 9 -6.968 -17.146 11.377 1.00 0.64 H new ATOM 159 N ASP A 10 -0.043 -16.223 6.523 1.00 0.43 N ATOM 160 CA ASP A 10 0.756 -17.025 5.607 1.00 0.45 C ATOM 161 C ASP A 10 -0.114 -17.860 4.686 1.00 0.46 C ATOM 162 O ASP A 10 -1.020 -17.344 4.024 1.00 0.43 O ATOM 163 CB ASP A 10 1.725 -17.905 6.407 1.00 0.51 C ATOM 164 CG ASP A 10 2.923 -18.359 5.597 1.00 0.52 C ATOM 165 OD1 ASP A 10 3.863 -17.554 5.413 1.00 0.65 O ATOM 166 OD2 ASP A 10 2.931 -19.520 5.139 1.00 0.60 O ATOM 0 H ASP A 10 -0.150 -16.631 7.452 1.00 0.43 H new ATOM 0 HA ASP A 10 1.331 -16.353 4.970 1.00 0.45 H new ATOM 0 HB2 ASP A 10 2.072 -17.352 7.280 1.00 0.51 H new ATOM 0 HB3 ASP A 10 1.191 -18.780 6.776 1.00 0.51 H new ATOM 171 N GLU A 11 0.141 -19.142 4.661 1.00 0.50 N ATOM 172 CA GLU A 11 -0.581 -20.023 3.786 1.00 0.53 C ATOM 173 C GLU A 11 -1.167 -21.188 4.572 1.00 0.58 C ATOM 174 O GLU A 11 -2.249 -21.695 4.266 1.00 0.61 O ATOM 175 CB GLU A 11 0.371 -20.526 2.708 1.00 0.54 C ATOM 176 CG GLU A 11 -0.135 -20.314 1.294 1.00 0.58 C ATOM 177 CD GLU A 11 -1.291 -21.225 0.950 1.00 0.67 C ATOM 178 OE1 GLU A 11 -1.115 -22.458 0.979 1.00 0.93 O ATOM 179 OE2 GLU A 11 -2.388 -20.712 0.641 1.00 0.66 O ATOM 0 H GLU A 11 0.846 -19.599 5.239 1.00 0.50 H new ATOM 0 HA GLU A 11 -1.408 -19.486 3.321 1.00 0.53 H new ATOM 0 HB2 GLU A 11 1.330 -20.021 2.820 1.00 0.54 H new ATOM 0 HB3 GLU A 11 0.551 -21.590 2.863 1.00 0.54 H new ATOM 0 HG2 GLU A 11 -0.447 -19.276 1.175 1.00 0.58 H new ATOM 0 HG3 GLU A 11 0.680 -20.485 0.591 1.00 0.58 H new ATOM 186 N ASP A 12 -0.440 -21.570 5.611 1.00 0.62 N ATOM 187 CA ASP A 12 -0.808 -22.676 6.495 1.00 0.69 C ATOM 188 C ASP A 12 -1.841 -22.260 7.542 1.00 0.66 C ATOM 189 O ASP A 12 -2.134 -23.019 8.463 1.00 0.69 O ATOM 190 CB ASP A 12 0.445 -23.204 7.210 1.00 0.78 C ATOM 191 CG ASP A 12 1.195 -22.129 7.984 1.00 0.77 C ATOM 192 OD1 ASP A 12 0.893 -20.926 7.817 1.00 0.72 O ATOM 193 OD2 ASP A 12 2.093 -22.486 8.771 1.00 0.98 O ATOM 0 H ASP A 12 0.436 -21.117 5.871 1.00 0.62 H new ATOM 0 HA ASP A 12 -1.253 -23.454 5.874 1.00 0.69 H new ATOM 0 HB2 ASP A 12 0.155 -24.000 7.896 1.00 0.78 H new ATOM 0 HB3 ASP A 12 1.116 -23.646 6.473 1.00 0.78 H new ATOM 198 N GLY A 13 -2.375 -21.049 7.415 1.00 0.61 N ATOM 199 CA GLY A 13 -3.371 -20.575 8.362 1.00 0.60 C ATOM 200 C GLY A 13 -2.740 -19.859 9.542 1.00 0.58 C ATOM 201 O GLY A 13 -3.429 -19.430 10.469 1.00 0.62 O ATOM 0 H GLY A 13 -2.137 -20.388 6.675 1.00 0.61 H new ATOM 0 HA2 GLY A 13 -4.060 -19.900 7.855 1.00 0.60 H new ATOM 0 HA3 GLY A 13 -3.959 -21.419 8.723 1.00 0.60 H new ATOM 205 N ASN A 14 -1.430 -19.717 9.492 1.00 0.59 N ATOM 206 CA ASN A 14 -0.698 -19.051 10.552 1.00 0.60 C ATOM 207 C ASN A 14 -0.373 -17.635 10.122 1.00 0.55 C ATOM 208 O ASN A 14 0.027 -17.405 8.983 1.00 0.55 O ATOM 209 CB ASN A 14 0.581 -19.813 10.905 1.00 0.65 C ATOM 210 CG ASN A 14 0.295 -21.065 11.727 1.00 0.71 C ATOM 211 OD1 ASN A 14 0.235 -21.000 12.957 1.00 0.86 O ATOM 212 ND2 ASN A 14 0.101 -22.212 11.076 1.00 0.80 N ATOM 0 H ASN A 14 -0.848 -20.055 8.725 1.00 0.59 H new ATOM 0 HA ASN A 14 -1.320 -19.025 11.446 1.00 0.60 H new ATOM 0 HB2 ASN A 14 1.100 -20.093 9.988 1.00 0.65 H new ATOM 0 HB3 ASN A 14 1.250 -19.158 11.463 1.00 0.65 H new ATOM 0 HD21 ASN A 14 -0.103 -23.065 11.596 1.00 0.80 H new ATOM 0 HD22 ASN A 14 0.157 -22.236 10.058 1.00 0.80 H new ATOM 219 N GLU A 15 -0.584 -16.681 11.007 1.00 0.54 N ATOM 220 CA GLU A 15 -0.307 -15.295 10.681 1.00 0.52 C ATOM 221 C GLU A 15 1.052 -14.880 11.212 1.00 0.52 C ATOM 222 O GLU A 15 1.504 -15.365 12.250 1.00 0.56 O ATOM 223 CB GLU A 15 -1.421 -14.371 11.190 1.00 0.53 C ATOM 224 CG GLU A 15 -1.836 -14.643 12.627 1.00 0.55 C ATOM 225 CD GLU A 15 -3.037 -15.560 12.701 1.00 0.76 C ATOM 226 OE1 GLU A 15 -3.751 -15.695 11.688 1.00 1.08 O ATOM 227 OE2 GLU A 15 -3.271 -16.154 13.770 1.00 1.49 O ATOM 0 H GLU A 15 -0.943 -16.837 11.949 1.00 0.54 H new ATOM 0 HA GLU A 15 -0.282 -15.200 9.595 1.00 0.52 H new ATOM 0 HB2 GLU A 15 -1.088 -13.336 11.108 1.00 0.53 H new ATOM 0 HB3 GLU A 15 -2.292 -14.478 10.544 1.00 0.53 H new ATOM 0 HG2 GLU A 15 -1.002 -15.092 13.167 1.00 0.55 H new ATOM 0 HG3 GLU A 15 -2.067 -13.700 13.123 1.00 0.55 H new ATOM 234 N HIS A 16 1.707 -13.998 10.474 1.00 0.51 N ATOM 235 CA HIS A 16 3.030 -13.517 10.836 1.00 0.54 C ATOM 236 C HIS A 16 2.942 -12.291 11.737 1.00 0.52 C ATOM 237 O HIS A 16 2.302 -12.326 12.789 1.00 0.57 O ATOM 238 CB HIS A 16 3.828 -13.180 9.575 1.00 0.58 C ATOM 239 CG HIS A 16 4.306 -14.373 8.818 1.00 0.66 C ATOM 240 ND1 HIS A 16 5.609 -14.816 8.859 1.00 0.88 N ATOM 241 CD2 HIS A 16 3.649 -15.218 7.991 1.00 0.73 C ATOM 242 CE1 HIS A 16 5.733 -15.880 8.090 1.00 0.95 C ATOM 243 NE2 HIS A 16 4.558 -16.145 7.551 1.00 0.82 N ATOM 0 H HIS A 16 1.339 -13.597 9.611 1.00 0.51 H new ATOM 0 HA HIS A 16 3.539 -14.308 11.386 1.00 0.54 H new ATOM 0 HB2 HIS A 16 3.207 -12.571 8.918 1.00 0.58 H new ATOM 0 HB3 HIS A 16 4.688 -12.572 9.855 1.00 0.58 H new ATOM 0 HD2 HIS A 16 2.603 -15.171 7.727 1.00 0.73 H new ATOM 0 HE1 HIS A 16 6.642 -16.440 7.929 1.00 0.95 H new ATOM 0 HE2 HIS A 16 4.359 -16.914 6.911 1.00 0.82 H new ATOM 252 N GLY A 17 3.585 -11.209 11.318 1.00 0.51 N ATOM 253 CA GLY A 17 3.575 -9.992 12.091 1.00 0.54 C ATOM 254 C GLY A 17 2.381 -9.123 11.774 1.00 0.50 C ATOM 255 O GLY A 17 1.429 -9.559 11.119 1.00 0.48 O ATOM 0 H GLY A 17 4.116 -11.157 10.449 1.00 0.51 H new ATOM 0 HA2 GLY A 17 3.571 -10.238 13.153 1.00 0.54 H new ATOM 0 HA3 GLY A 17 4.490 -9.433 11.897 1.00 0.54 H new ATOM 259 N VAL A 18 2.438 -7.877 12.211 1.00 0.51 N ATOM 260 CA VAL A 18 1.359 -6.945 11.988 1.00 0.49 C ATOM 261 C VAL A 18 1.912 -5.579 11.583 1.00 0.49 C ATOM 262 O VAL A 18 2.796 -5.032 12.242 1.00 0.51 O ATOM 263 CB VAL A 18 0.462 -6.829 13.250 1.00 0.51 C ATOM 264 CG1 VAL A 18 1.319 -6.702 14.512 1.00 0.57 C ATOM 265 CG2 VAL A 18 -0.511 -5.650 13.128 1.00 0.51 C ATOM 0 H VAL A 18 3.229 -7.490 12.726 1.00 0.51 H new ATOM 0 HA VAL A 18 0.741 -7.320 11.172 1.00 0.49 H new ATOM 0 HB VAL A 18 -0.129 -7.742 13.330 1.00 0.51 H new ATOM 0 HG11 VAL A 18 0.671 -6.622 15.385 1.00 0.57 H new ATOM 0 HG12 VAL A 18 1.954 -7.582 14.611 1.00 0.57 H new ATOM 0 HG13 VAL A 18 1.943 -5.811 14.440 1.00 0.57 H new ATOM 0 HG21 VAL A 18 -1.127 -5.592 14.025 1.00 0.51 H new ATOM 0 HG22 VAL A 18 0.052 -4.724 13.014 1.00 0.51 H new ATOM 0 HG23 VAL A 18 -1.151 -5.795 12.258 1.00 0.51 H new ATOM 275 N PHE A 19 1.422 -5.069 10.460 1.00 0.47 N ATOM 276 CA PHE A 19 1.858 -3.780 9.942 1.00 0.48 C ATOM 277 C PHE A 19 1.153 -2.645 10.678 1.00 0.47 C ATOM 278 O PHE A 19 0.172 -2.869 11.386 1.00 0.47 O ATOM 279 CB PHE A 19 1.557 -3.669 8.442 1.00 0.47 C ATOM 280 CG PHE A 19 2.213 -4.729 7.599 1.00 0.48 C ATOM 281 CD1 PHE A 19 3.582 -4.713 7.386 1.00 0.51 C ATOM 282 CD2 PHE A 19 1.459 -5.733 7.009 1.00 0.52 C ATOM 283 CE1 PHE A 19 4.187 -5.678 6.604 1.00 0.56 C ATOM 284 CE2 PHE A 19 2.060 -6.700 6.225 1.00 0.56 C ATOM 285 CZ PHE A 19 3.426 -6.673 6.022 1.00 0.56 C ATOM 0 H PHE A 19 0.717 -5.533 9.887 1.00 0.47 H new ATOM 0 HA PHE A 19 2.934 -3.703 10.099 1.00 0.48 H new ATOM 0 HB2 PHE A 19 0.478 -3.720 8.295 1.00 0.47 H new ATOM 0 HB3 PHE A 19 1.880 -2.689 8.090 1.00 0.47 H new ATOM 0 HD1 PHE A 19 4.183 -3.937 7.837 1.00 0.51 H new ATOM 0 HD2 PHE A 19 0.390 -5.759 7.164 1.00 0.52 H new ATOM 0 HE1 PHE A 19 5.255 -5.654 6.448 1.00 0.56 H new ATOM 0 HE2 PHE A 19 1.462 -7.476 5.771 1.00 0.56 H new ATOM 0 HZ PHE A 19 3.898 -7.428 5.410 1.00 0.56 H new ATOM 295 N THR A 20 1.625 -1.430 10.465 1.00 0.47 N ATOM 296 CA THR A 20 1.059 -0.253 11.110 1.00 0.47 C ATOM 297 C THR A 20 1.005 0.890 10.095 1.00 0.47 C ATOM 298 O THR A 20 1.556 1.966 10.336 1.00 0.47 O ATOM 299 CB THR A 20 1.929 0.190 12.331 1.00 0.49 C ATOM 300 OG1 THR A 20 3.242 0.546 11.876 1.00 0.51 O ATOM 301 CG2 THR A 20 2.069 -0.904 13.401 1.00 0.51 C ATOM 0 H THR A 20 2.408 -1.229 9.843 1.00 0.47 H new ATOM 0 HA THR A 20 0.059 -0.498 11.468 1.00 0.47 H new ATOM 0 HB THR A 20 1.418 1.038 12.787 1.00 0.49 H new ATOM 0 HG1 THR A 20 3.176 1.274 11.223 1.00 0.51 H new ATOM 0 HG21 THR A 20 2.684 -0.534 14.221 1.00 0.51 H new ATOM 0 HG22 THR A 20 1.082 -1.171 13.779 1.00 0.51 H new ATOM 0 HG23 THR A 20 2.540 -1.784 12.962 1.00 0.51 H new ATOM 309 N GLY A 21 0.345 0.673 8.959 1.00 0.48 N ATOM 310 CA GLY A 21 0.313 1.707 7.945 1.00 0.51 C ATOM 311 C GLY A 21 -1.074 2.174 7.631 1.00 0.46 C ATOM 312 O GLY A 21 -1.906 2.291 8.522 1.00 0.50 O ATOM 0 H GLY A 21 -0.158 -0.184 8.728 1.00 0.48 H new ATOM 0 HA2 GLY A 21 0.909 2.556 8.280 1.00 0.51 H new ATOM 0 HA3 GLY A 21 0.779 1.330 7.034 1.00 0.51 H new ATOM 316 N LYS A 22 -1.329 2.464 6.370 1.00 0.40 N ATOM 317 CA LYS A 22 -2.640 2.935 5.978 1.00 0.38 C ATOM 318 C LYS A 22 -2.958 2.615 4.525 1.00 0.36 C ATOM 319 O LYS A 22 -3.956 1.953 4.239 1.00 0.42 O ATOM 320 CB LYS A 22 -2.726 4.449 6.195 1.00 0.45 C ATOM 321 CG LYS A 22 -3.094 4.860 7.609 1.00 0.90 C ATOM 322 CD LYS A 22 -2.327 6.103 8.047 1.00 1.62 C ATOM 323 CE LYS A 22 -0.881 5.781 8.406 1.00 1.99 C ATOM 324 NZ LYS A 22 -0.144 6.986 8.876 1.00 2.07 N ATOM 0 H LYS A 22 -0.655 2.383 5.609 1.00 0.40 H new ATOM 0 HA LYS A 22 -3.372 2.418 6.598 1.00 0.38 H new ATOM 0 HB2 LYS A 22 -1.765 4.896 5.938 1.00 0.45 H new ATOM 0 HB3 LYS A 22 -3.464 4.861 5.506 1.00 0.45 H new ATOM 0 HG2 LYS A 22 -4.165 5.053 7.666 1.00 0.90 H new ATOM 0 HG3 LYS A 22 -2.881 4.040 8.294 1.00 0.90 H new ATOM 0 HD2 LYS A 22 -2.346 6.842 7.246 1.00 1.62 H new ATOM 0 HD3 LYS A 22 -2.823 6.552 8.907 1.00 1.62 H new ATOM 0 HE2 LYS A 22 -0.861 5.017 9.184 1.00 1.99 H new ATOM 0 HE3 LYS A 22 -0.375 5.363 7.536 1.00 1.99 H new ATOM 0 HZ1 LYS A 22 0.835 6.725 9.110 1.00 2.07 H new ATOM 0 HZ2 LYS A 22 -0.140 7.706 8.125 1.00 2.07 H new ATOM 0 HZ3 LYS A 22 -0.611 7.371 9.722 1.00 2.07 H new ATOM 338 N GLN A 23 -2.133 3.101 3.609 1.00 0.30 N ATOM 339 CA GLN A 23 -2.366 2.868 2.192 1.00 0.31 C ATOM 340 C GLN A 23 -2.020 1.434 1.797 1.00 0.29 C ATOM 341 O GLN A 23 -0.888 0.982 1.975 1.00 0.31 O ATOM 342 CB GLN A 23 -1.604 3.883 1.337 1.00 0.33 C ATOM 343 CG GLN A 23 -2.522 4.916 0.692 1.00 0.62 C ATOM 344 CD GLN A 23 -3.727 5.247 1.554 1.00 0.42 C ATOM 345 OE1 GLN A 23 -4.745 4.551 1.526 1.00 0.57 O ATOM 346 NE2 GLN A 23 -3.630 6.315 2.323 1.00 0.44 N ATOM 0 H GLN A 23 -1.303 3.655 3.819 1.00 0.30 H new ATOM 0 HA GLN A 23 -3.431 3.007 2.004 1.00 0.31 H new ATOM 0 HB2 GLN A 23 -0.868 4.394 1.957 1.00 0.33 H new ATOM 0 HB3 GLN A 23 -1.054 3.355 0.558 1.00 0.33 H new ATOM 0 HG2 GLN A 23 -1.957 5.828 0.499 1.00 0.62 H new ATOM 0 HG3 GLN A 23 -2.863 4.541 -0.273 1.00 0.62 H new ATOM 0 HE21 GLN A 23 -2.773 6.868 2.322 1.00 0.44 H new ATOM 0 HE22 GLN A 23 -4.412 6.587 2.919 1.00 0.44 H new ATOM 355 N PRO A 24 -3.014 0.708 1.246 1.00 0.27 N ATOM 356 CA PRO A 24 -2.866 -0.691 0.823 1.00 0.27 C ATOM 357 C PRO A 24 -1.744 -0.893 -0.182 1.00 0.26 C ATOM 358 O PRO A 24 -1.151 -1.966 -0.242 1.00 0.26 O ATOM 359 CB PRO A 24 -4.216 -1.018 0.176 1.00 0.28 C ATOM 360 CG PRO A 24 -5.166 -0.054 0.776 1.00 0.29 C ATOM 361 CD PRO A 24 -4.377 1.205 0.982 1.00 0.29 C ATOM 0 HA PRO A 24 -2.608 -1.333 1.665 1.00 0.27 H new ATOM 0 HB2 PRO A 24 -4.172 -0.908 -0.908 1.00 0.28 H new ATOM 0 HB3 PRO A 24 -4.514 -2.046 0.380 1.00 0.28 H new ATOM 0 HG2 PRO A 24 -6.018 0.119 0.119 1.00 0.29 H new ATOM 0 HG3 PRO A 24 -5.562 -0.428 1.720 1.00 0.29 H new ATOM 0 HD2 PRO A 24 -4.408 1.848 0.103 1.00 0.29 H new ATOM 0 HD3 PRO A 24 -4.762 1.789 1.818 1.00 0.29 H new ATOM 369 N ARG A 25 -1.455 0.137 -0.966 1.00 0.27 N ATOM 370 CA ARG A 25 -0.400 0.063 -1.964 1.00 0.28 C ATOM 371 C ARG A 25 0.930 -0.312 -1.318 1.00 0.29 C ATOM 372 O ARG A 25 1.550 -1.303 -1.705 1.00 0.30 O ATOM 373 CB ARG A 25 -0.285 1.383 -2.727 1.00 0.30 C ATOM 374 CG ARG A 25 -1.496 1.674 -3.598 1.00 0.35 C ATOM 375 CD ARG A 25 -1.101 2.365 -4.892 1.00 0.39 C ATOM 376 NE ARG A 25 -0.944 3.807 -4.714 1.00 0.39 N ATOM 377 CZ ARG A 25 -1.526 4.726 -5.482 1.00 0.45 C ATOM 378 NH1 ARG A 25 -2.289 4.364 -6.508 1.00 0.50 N ATOM 379 NH2 ARG A 25 -1.336 6.013 -5.230 1.00 0.56 N ATOM 0 H ARG A 25 -1.938 1.035 -0.929 1.00 0.27 H new ATOM 0 HA ARG A 25 -0.659 -0.719 -2.678 1.00 0.28 H new ATOM 0 HB2 ARG A 25 -0.153 2.197 -2.015 1.00 0.30 H new ATOM 0 HB3 ARG A 25 0.608 1.358 -3.352 1.00 0.30 H new ATOM 0 HG2 ARG A 25 -2.013 0.742 -3.826 1.00 0.35 H new ATOM 0 HG3 ARG A 25 -2.197 2.302 -3.049 1.00 0.35 H new ATOM 0 HD2 ARG A 25 -0.167 1.941 -5.259 1.00 0.39 H new ATOM 0 HD3 ARG A 25 -1.859 2.173 -5.652 1.00 0.39 H new ATOM 0 HE ARG A 25 -0.349 4.131 -3.951 1.00 0.39 H new ATOM 0 HH11 ARG A 25 -2.433 3.375 -6.713 1.00 0.50 H new ATOM 0 HH12 ARG A 25 -2.731 5.075 -7.091 1.00 0.50 H new ATOM 0 HH21 ARG A 25 -0.745 6.298 -4.449 1.00 0.56 H new ATOM 0 HH22 ARG A 25 -1.781 6.719 -5.817 1.00 0.56 H new ATOM 393 N GLN A 26 1.350 0.437 -0.300 1.00 0.31 N ATOM 394 CA GLN A 26 2.610 0.155 0.376 1.00 0.34 C ATOM 395 C GLN A 26 2.440 -0.989 1.379 1.00 0.30 C ATOM 396 O GLN A 26 3.420 -1.552 1.872 1.00 0.31 O ATOM 397 CB GLN A 26 3.113 1.413 1.096 1.00 0.42 C ATOM 398 CG GLN A 26 4.611 1.410 1.386 1.00 0.71 C ATOM 399 CD GLN A 26 4.972 2.215 2.622 1.00 1.09 C ATOM 400 OE1 GLN A 26 5.011 1.675 3.730 1.00 1.21 O ATOM 401 NE2 GLN A 26 5.251 3.502 2.449 1.00 1.45 N ATOM 0 H GLN A 26 0.839 1.238 0.071 1.00 0.31 H new ATOM 0 HA GLN A 26 3.343 -0.146 -0.372 1.00 0.34 H new ATOM 0 HB2 GLN A 26 2.873 2.286 0.489 1.00 0.42 H new ATOM 0 HB3 GLN A 26 2.572 1.521 2.036 1.00 0.42 H new ATOM 0 HG2 GLN A 26 4.949 0.382 1.516 1.00 0.71 H new ATOM 0 HG3 GLN A 26 5.144 1.815 0.526 1.00 0.71 H new ATOM 0 HE21 GLN A 26 5.208 3.912 1.516 1.00 1.45 H new ATOM 0 HE22 GLN A 26 5.509 4.080 3.249 1.00 1.45 H new ATOM 410 N ALA A 27 1.188 -1.337 1.667 1.00 0.28 N ATOM 411 CA ALA A 27 0.888 -2.414 2.603 1.00 0.27 C ATOM 412 C ALA A 27 1.064 -3.757 1.907 1.00 0.24 C ATOM 413 O ALA A 27 1.695 -4.675 2.438 1.00 0.24 O ATOM 414 CB ALA A 27 -0.543 -2.276 3.143 1.00 0.28 C ATOM 0 H ALA A 27 0.365 -0.888 1.265 1.00 0.28 H new ATOM 0 HA ALA A 27 1.577 -2.354 3.446 1.00 0.27 H new ATOM 0 HB1 ALA A 27 -0.749 -3.088 3.840 1.00 0.28 H new ATOM 0 HB2 ALA A 27 -0.647 -1.321 3.658 1.00 0.28 H new ATOM 0 HB3 ALA A 27 -1.250 -2.320 2.315 1.00 0.28 H new ATOM 420 N ALA A 28 0.529 -3.845 0.695 1.00 0.23 N ATOM 421 CA ALA A 28 0.623 -5.056 -0.100 1.00 0.22 C ATOM 422 C ALA A 28 2.047 -5.224 -0.600 1.00 0.23 C ATOM 423 O ALA A 28 2.492 -6.333 -0.898 1.00 0.24 O ATOM 424 CB ALA A 28 -0.354 -5.004 -1.265 1.00 0.22 C ATOM 0 H ALA A 28 0.023 -3.084 0.242 1.00 0.23 H new ATOM 0 HA ALA A 28 0.362 -5.914 0.520 1.00 0.22 H new ATOM 0 HB1 ALA A 28 -0.271 -5.919 -1.851 1.00 0.22 H new ATOM 0 HB2 ALA A 28 -1.371 -4.909 -0.883 1.00 0.22 H new ATOM 0 HB3 ALA A 28 -0.122 -4.147 -1.897 1.00 0.22 H new ATOM 430 N LEU A 29 2.753 -4.105 -0.676 1.00 0.25 N ATOM 431 CA LEU A 29 4.137 -4.090 -1.111 1.00 0.27 C ATOM 432 C LEU A 29 4.971 -4.987 -0.204 1.00 0.27 C ATOM 433 O LEU A 29 5.675 -5.883 -0.672 1.00 0.29 O ATOM 434 CB LEU A 29 4.676 -2.658 -1.071 1.00 0.31 C ATOM 435 CG LEU A 29 5.509 -2.231 -2.279 1.00 0.34 C ATOM 436 CD1 LEU A 29 4.647 -2.199 -3.551 1.00 0.44 C ATOM 437 CD2 LEU A 29 6.186 -0.885 -1.990 1.00 0.39 C ATOM 0 H LEU A 29 2.381 -3.185 -0.438 1.00 0.25 H new ATOM 0 HA LEU A 29 4.198 -4.464 -2.133 1.00 0.27 H new ATOM 0 HB2 LEU A 29 3.833 -1.974 -0.974 1.00 0.31 H new ATOM 0 HB3 LEU A 29 5.284 -2.543 -0.174 1.00 0.31 H new ATOM 0 HG LEU A 29 6.296 -2.964 -2.458 1.00 0.34 H new ATOM 0 HD11 LEU A 29 5.260 -1.893 -4.398 1.00 0.44 H new ATOM 0 HD12 LEU A 29 4.239 -3.192 -3.739 1.00 0.44 H new ATOM 0 HD13 LEU A 29 3.830 -1.490 -3.419 1.00 0.44 H new ATOM 0 HD21 LEU A 29 6.779 -0.583 -2.853 1.00 0.39 H new ATOM 0 HD22 LEU A 29 5.425 -0.130 -1.791 1.00 0.39 H new ATOM 0 HD23 LEU A 29 6.835 -0.984 -1.120 1.00 0.39 H new ATOM 449 N LYS A 30 4.877 -4.741 1.101 1.00 0.26 N ATOM 450 CA LYS A 30 5.606 -5.517 2.092 1.00 0.27 C ATOM 451 C LYS A 30 5.085 -6.957 2.194 1.00 0.25 C ATOM 452 O LYS A 30 5.771 -7.830 2.722 1.00 0.26 O ATOM 453 CB LYS A 30 5.513 -4.823 3.457 1.00 0.32 C ATOM 454 CG LYS A 30 6.164 -3.442 3.486 1.00 0.50 C ATOM 455 CD LYS A 30 5.920 -2.711 4.805 1.00 0.53 C ATOM 456 CE LYS A 30 4.733 -1.757 4.719 1.00 0.70 C ATOM 457 NZ LYS A 30 4.912 -0.554 5.585 1.00 1.30 N ATOM 0 H LYS A 30 4.296 -4.002 1.496 1.00 0.26 H new ATOM 0 HA LYS A 30 6.647 -5.572 1.774 1.00 0.27 H new ATOM 0 HB2 LYS A 30 4.464 -4.727 3.736 1.00 0.32 H new ATOM 0 HB3 LYS A 30 5.986 -5.454 4.209 1.00 0.32 H new ATOM 0 HG2 LYS A 30 7.237 -3.546 3.324 1.00 0.50 H new ATOM 0 HG3 LYS A 30 5.774 -2.842 2.664 1.00 0.50 H new ATOM 0 HD2 LYS A 30 5.743 -3.440 5.596 1.00 0.53 H new ATOM 0 HD3 LYS A 30 6.815 -2.153 5.081 1.00 0.53 H new ATOM 0 HE2 LYS A 30 4.597 -1.441 3.685 1.00 0.70 H new ATOM 0 HE3 LYS A 30 3.825 -2.283 5.013 1.00 0.70 H new ATOM 0 HZ1 LYS A 30 4.108 -0.475 6.239 1.00 1.30 H new ATOM 0 HZ2 LYS A 30 5.793 -0.646 6.129 1.00 1.30 H new ATOM 0 HZ3 LYS A 30 4.960 0.298 4.990 1.00 1.30 H new ATOM 471 N ALA A 31 3.889 -7.202 1.682 1.00 0.22 N ATOM 472 CA ALA A 31 3.301 -8.543 1.735 1.00 0.21 C ATOM 473 C ALA A 31 3.993 -9.463 0.730 1.00 0.21 C ATOM 474 O ALA A 31 4.234 -10.639 1.007 1.00 0.22 O ATOM 475 CB ALA A 31 1.791 -8.485 1.451 1.00 0.21 C ATOM 0 H ALA A 31 3.306 -6.500 1.227 1.00 0.22 H new ATOM 0 HA ALA A 31 3.447 -8.944 2.738 1.00 0.21 H new ATOM 0 HB1 ALA A 31 1.374 -9.491 1.495 1.00 0.21 H new ATOM 0 HB2 ALA A 31 1.304 -7.857 2.197 1.00 0.21 H new ATOM 0 HB3 ALA A 31 1.623 -8.066 0.459 1.00 0.21 H new ATOM 481 N ALA A 32 4.300 -8.913 -0.442 1.00 0.22 N ATOM 482 CA ALA A 32 4.980 -9.647 -1.517 1.00 0.24 C ATOM 483 C ALA A 32 6.373 -10.129 -1.102 1.00 0.23 C ATOM 484 O ALA A 32 7.028 -10.849 -1.854 1.00 0.24 O ATOM 485 CB ALA A 32 5.098 -8.755 -2.752 1.00 0.28 C ATOM 0 H ALA A 32 4.086 -7.944 -0.678 1.00 0.22 H new ATOM 0 HA ALA A 32 4.379 -10.529 -1.740 1.00 0.24 H new ATOM 0 HB1 ALA A 32 5.603 -9.301 -3.549 1.00 0.28 H new ATOM 0 HB2 ALA A 32 4.102 -8.463 -3.087 1.00 0.28 H new ATOM 0 HB3 ALA A 32 5.673 -7.863 -2.503 1.00 0.28 H new ATOM 491 N ASN A 33 6.827 -9.754 0.091 1.00 0.23 N ATOM 492 CA ASN A 33 8.146 -10.166 0.577 1.00 0.24 C ATOM 493 C ASN A 33 8.147 -11.628 1.032 1.00 0.24 C ATOM 494 O ASN A 33 9.055 -12.061 1.743 1.00 0.26 O ATOM 495 CB ASN A 33 8.594 -9.271 1.739 1.00 0.26 C ATOM 496 CG ASN A 33 9.025 -7.885 1.295 1.00 0.37 C ATOM 497 OD1 ASN A 33 9.343 -7.660 0.130 1.00 0.64 O ATOM 498 ND2 ASN A 33 9.060 -6.950 2.231 1.00 0.65 N ATOM 0 H ASN A 33 6.304 -9.166 0.740 1.00 0.23 H new ATOM 0 HA ASN A 33 8.844 -10.063 -0.254 1.00 0.24 H new ATOM 0 HB2 ASN A 33 7.776 -9.178 2.454 1.00 0.26 H new ATOM 0 HB3 ASN A 33 9.421 -9.752 2.261 1.00 0.26 H new ATOM 0 HD21 ASN A 33 9.359 -6.004 1.996 1.00 0.65 H new ATOM 0 HD22 ASN A 33 8.788 -7.176 3.188 1.00 0.65 H new ATOM 505 N ARG A 34 7.118 -12.374 0.627 1.00 0.24 N ATOM 506 CA ARG A 34 6.985 -13.789 0.966 1.00 0.27 C ATOM 507 C ARG A 34 8.234 -14.593 0.590 1.00 0.28 C ATOM 508 O ARG A 34 8.601 -15.540 1.288 1.00 0.35 O ATOM 509 CB ARG A 34 5.743 -14.372 0.286 1.00 0.29 C ATOM 510 CG ARG A 34 4.504 -14.330 1.168 1.00 0.32 C ATOM 511 CD ARG A 34 4.314 -15.639 1.916 1.00 0.34 C ATOM 512 NE ARG A 34 4.043 -16.745 1.000 1.00 0.33 N ATOM 513 CZ ARG A 34 3.685 -17.968 1.376 1.00 0.38 C ATOM 514 NH1 ARG A 34 3.560 -18.265 2.662 1.00 0.43 N ATOM 515 NH2 ARG A 34 3.443 -18.891 0.454 1.00 0.43 N ATOM 0 H ARG A 34 6.354 -12.013 0.055 1.00 0.24 H new ATOM 0 HA ARG A 34 6.873 -13.863 2.048 1.00 0.27 H new ATOM 0 HB2 ARG A 34 5.546 -13.820 -0.633 1.00 0.29 H new ATOM 0 HB3 ARG A 34 5.944 -15.405 0.000 1.00 0.29 H new ATOM 0 HG2 ARG A 34 4.590 -13.510 1.881 1.00 0.32 H new ATOM 0 HG3 ARG A 34 3.625 -14.128 0.555 1.00 0.32 H new ATOM 0 HD2 ARG A 34 5.208 -15.859 2.499 1.00 0.34 H new ATOM 0 HD3 ARG A 34 3.489 -15.539 2.622 1.00 0.34 H new ATOM 0 HE ARG A 34 4.135 -16.565 0.000 1.00 0.33 H new ATOM 0 HH11 ARG A 34 3.739 -17.553 3.370 1.00 0.43 H new ATOM 0 HH12 ARG A 34 3.285 -19.206 2.944 1.00 0.43 H new ATOM 0 HH21 ARG A 34 3.532 -18.659 -0.535 1.00 0.43 H new ATOM 0 HH22 ARG A 34 3.168 -19.832 0.735 1.00 0.43 H new ATOM 529 N GLY A 35 8.878 -14.213 -0.514 1.00 0.28 N ATOM 530 CA GLY A 35 10.094 -14.891 -0.952 1.00 0.29 C ATOM 531 C GLY A 35 9.826 -16.183 -1.698 1.00 0.29 C ATOM 532 O GLY A 35 10.628 -17.118 -1.644 1.00 0.34 O ATOM 0 H GLY A 35 8.579 -13.445 -1.116 1.00 0.28 H new ATOM 0 HA2 GLY A 35 10.664 -14.220 -1.595 1.00 0.29 H new ATOM 0 HA3 GLY A 35 10.716 -15.104 -0.083 1.00 0.29 H new ATOM 536 N SER A 36 8.710 -16.232 -2.400 1.00 0.28 N ATOM 537 CA SER A 36 8.325 -17.409 -3.156 1.00 0.30 C ATOM 538 C SER A 36 9.207 -17.588 -4.394 1.00 0.29 C ATOM 539 O SER A 36 9.008 -16.924 -5.409 1.00 0.33 O ATOM 540 CB SER A 36 6.864 -17.269 -3.558 1.00 0.34 C ATOM 541 OG SER A 36 6.294 -16.130 -2.928 1.00 0.59 O ATOM 0 H SER A 36 8.046 -15.460 -2.463 1.00 0.28 H new ATOM 0 HA SER A 36 8.458 -18.294 -2.534 1.00 0.30 H new ATOM 0 HB2 SER A 36 6.784 -17.174 -4.641 1.00 0.34 H new ATOM 0 HB3 SER A 36 6.313 -18.166 -3.275 1.00 0.34 H new ATOM 0 HG SER A 36 5.762 -16.415 -2.156 1.00 0.59 H new ATOM 547 N GLY A 37 10.192 -18.476 -4.296 1.00 0.29 N ATOM 548 CA GLY A 37 11.078 -18.732 -5.417 1.00 0.32 C ATOM 549 C GLY A 37 11.935 -17.533 -5.780 1.00 0.33 C ATOM 550 O GLY A 37 12.960 -17.283 -5.145 1.00 0.36 O ATOM 0 H GLY A 37 10.392 -19.023 -3.459 1.00 0.29 H new ATOM 0 HA2 GLY A 37 11.725 -19.575 -5.176 1.00 0.32 H new ATOM 0 HA3 GLY A 37 10.484 -19.023 -6.283 1.00 0.32 H new ATOM 554 N THR A 38 11.485 -16.783 -6.784 1.00 0.35 N ATOM 555 CA THR A 38 12.194 -15.601 -7.270 1.00 0.40 C ATOM 556 C THR A 38 11.265 -14.753 -8.145 1.00 0.38 C ATOM 557 O THR A 38 10.331 -14.137 -7.645 1.00 0.39 O ATOM 558 CB THR A 38 13.455 -15.967 -8.088 1.00 0.49 C ATOM 559 OG1 THR A 38 13.277 -17.236 -8.729 1.00 0.55 O ATOM 560 CG2 THR A 38 14.702 -16.000 -7.216 1.00 0.60 C ATOM 0 H THR A 38 10.618 -16.978 -7.284 1.00 0.35 H new ATOM 0 HA THR A 38 12.510 -15.038 -6.392 1.00 0.40 H new ATOM 0 HB THR A 38 13.594 -15.193 -8.843 1.00 0.49 H new ATOM 0 HG1 THR A 38 14.080 -17.457 -9.245 1.00 0.55 H new ATOM 0 HG21 THR A 38 15.566 -16.261 -7.827 1.00 0.60 H new ATOM 0 HG22 THR A 38 14.858 -15.019 -6.767 1.00 0.60 H new ATOM 0 HG23 THR A 38 14.576 -16.744 -6.429 1.00 0.60 H new ATOM 568 N LYS A 39 11.527 -14.743 -9.454 1.00 0.40 N ATOM 569 CA LYS A 39 10.722 -13.978 -10.399 1.00 0.42 C ATOM 570 C LYS A 39 9.426 -14.721 -10.730 1.00 0.39 C ATOM 571 O LYS A 39 8.376 -14.433 -10.155 1.00 0.39 O ATOM 572 CB LYS A 39 11.542 -13.691 -11.664 1.00 0.49 C ATOM 573 CG LYS A 39 10.902 -12.700 -12.626 1.00 0.70 C ATOM 574 CD LYS A 39 11.945 -12.088 -13.551 1.00 0.84 C ATOM 575 CE LYS A 39 11.396 -11.851 -14.950 1.00 0.82 C ATOM 576 NZ LYS A 39 10.229 -10.935 -14.947 1.00 0.94 N ATOM 0 H LYS A 39 12.295 -15.260 -9.882 1.00 0.40 H new ATOM 0 HA LYS A 39 10.445 -13.026 -9.945 1.00 0.42 H new ATOM 0 HB2 LYS A 39 12.519 -13.310 -11.368 1.00 0.49 H new ATOM 0 HB3 LYS A 39 11.712 -14.630 -12.191 1.00 0.49 H new ATOM 0 HG2 LYS A 39 10.137 -13.203 -13.217 1.00 0.70 H new ATOM 0 HG3 LYS A 39 10.402 -11.912 -12.063 1.00 0.70 H new ATOM 0 HD2 LYS A 39 12.291 -11.143 -13.132 1.00 0.84 H new ATOM 0 HD3 LYS A 39 12.811 -12.748 -13.608 1.00 0.84 H new ATOM 0 HE2 LYS A 39 12.181 -11.434 -15.581 1.00 0.82 H new ATOM 0 HE3 LYS A 39 11.106 -12.805 -15.391 1.00 0.82 H new ATOM 0 HZ1 LYS A 39 9.857 -10.843 -15.914 1.00 0.94 H new ATOM 0 HZ2 LYS A 39 9.488 -11.319 -14.326 1.00 0.94 H new ATOM 0 HZ3 LYS A 39 10.522 -10.000 -14.599 1.00 0.94 H new ATOM 590 N ALA A 40 9.486 -15.657 -11.673 1.00 0.39 N ATOM 591 CA ALA A 40 8.316 -16.433 -12.038 1.00 0.38 C ATOM 592 C ALA A 40 7.966 -17.413 -10.930 1.00 0.36 C ATOM 593 O ALA A 40 8.625 -18.442 -10.765 1.00 0.37 O ATOM 594 CB ALA A 40 8.563 -17.168 -13.349 1.00 0.41 C ATOM 0 H ALA A 40 10.331 -15.892 -12.194 1.00 0.39 H new ATOM 0 HA ALA A 40 7.472 -15.756 -12.175 1.00 0.38 H new ATOM 0 HB1 ALA A 40 7.678 -17.747 -13.614 1.00 0.41 H new ATOM 0 HB2 ALA A 40 8.773 -16.445 -14.137 1.00 0.41 H new ATOM 0 HB3 ALA A 40 9.415 -17.838 -13.235 1.00 0.41 H new ATOM 600 N ASN A 41 6.936 -17.069 -10.173 1.00 0.34 N ATOM 601 CA ASN A 41 6.458 -17.873 -9.057 1.00 0.33 C ATOM 602 C ASN A 41 5.366 -17.097 -8.342 1.00 0.35 C ATOM 603 O ASN A 41 5.651 -16.260 -7.486 1.00 0.48 O ATOM 604 CB ASN A 41 7.585 -18.208 -8.064 1.00 0.34 C ATOM 605 CG ASN A 41 7.208 -19.339 -7.107 1.00 0.38 C ATOM 606 OD1 ASN A 41 6.630 -19.099 -6.051 1.00 0.57 O ATOM 607 ND2 ASN A 41 7.523 -20.584 -7.457 1.00 0.50 N ATOM 0 H ASN A 41 6.401 -16.213 -10.318 1.00 0.34 H new ATOM 0 HA ASN A 41 6.077 -18.817 -9.447 1.00 0.33 H new ATOM 0 HB2 ASN A 41 8.481 -18.489 -8.618 1.00 0.34 H new ATOM 0 HB3 ASN A 41 7.833 -17.317 -7.488 1.00 0.34 H new ATOM 0 HD21 ASN A 41 7.284 -21.362 -6.843 1.00 0.50 H new ATOM 0 HD22 ASN A 41 8.003 -20.760 -8.339 1.00 0.50 H new ATOM 614 N PRO A 42 4.100 -17.309 -8.723 1.00 0.35 N ATOM 615 CA PRO A 42 2.979 -16.616 -8.097 1.00 0.38 C ATOM 616 C PRO A 42 2.780 -17.083 -6.658 1.00 0.31 C ATOM 617 O PRO A 42 3.197 -18.184 -6.289 1.00 0.31 O ATOM 618 CB PRO A 42 1.775 -16.993 -8.976 1.00 0.48 C ATOM 619 CG PRO A 42 2.348 -17.619 -10.204 1.00 0.70 C ATOM 620 CD PRO A 42 3.649 -18.231 -9.779 1.00 0.48 C ATOM 0 HA PRO A 42 3.131 -15.538 -8.036 1.00 0.38 H new ATOM 0 HB2 PRO A 42 1.113 -17.686 -8.456 1.00 0.48 H new ATOM 0 HB3 PRO A 42 1.182 -16.113 -9.226 1.00 0.48 H new ATOM 0 HG2 PRO A 42 1.674 -18.374 -10.609 1.00 0.70 H new ATOM 0 HG3 PRO A 42 2.502 -16.876 -10.987 1.00 0.70 H new ATOM 0 HD2 PRO A 42 3.518 -19.246 -9.404 1.00 0.48 H new ATOM 0 HD3 PRO A 42 4.361 -18.285 -10.603 1.00 0.48 H new ATOM 628 N ASP A 43 2.118 -16.262 -5.858 1.00 0.28 N ATOM 629 CA ASP A 43 1.874 -16.578 -4.458 1.00 0.25 C ATOM 630 C ASP A 43 0.586 -15.923 -4.037 1.00 0.25 C ATOM 631 O ASP A 43 0.106 -15.010 -4.709 1.00 0.28 O ATOM 632 CB ASP A 43 3.009 -16.080 -3.554 1.00 0.24 C ATOM 633 CG ASP A 43 3.173 -16.931 -2.305 1.00 0.30 C ATOM 634 OD1 ASP A 43 2.291 -17.774 -2.027 1.00 0.33 O ATOM 635 OD2 ASP A 43 4.182 -16.758 -1.593 1.00 0.51 O ATOM 0 H ASP A 43 1.737 -15.364 -6.157 1.00 0.28 H new ATOM 0 HA ASP A 43 1.817 -17.662 -4.355 1.00 0.25 H new ATOM 0 HB2 ASP A 43 3.943 -16.080 -4.115 1.00 0.24 H new ATOM 0 HB3 ASP A 43 2.812 -15.048 -3.264 1.00 0.24 H new ATOM 640 N ILE A 44 0.039 -16.366 -2.930 1.00 0.25 N ATOM 641 CA ILE A 44 -1.205 -15.824 -2.443 1.00 0.26 C ATOM 642 C ILE A 44 -1.192 -15.750 -0.926 1.00 0.25 C ATOM 643 O ILE A 44 -0.928 -16.737 -0.238 1.00 0.31 O ATOM 644 CB ILE A 44 -2.404 -16.663 -2.953 1.00 0.32 C ATOM 645 CG1 ILE A 44 -2.969 -16.041 -4.237 1.00 0.46 C ATOM 646 CG2 ILE A 44 -3.500 -16.794 -1.893 1.00 0.37 C ATOM 647 CD1 ILE A 44 -4.225 -16.718 -4.748 1.00 0.57 C ATOM 0 H ILE A 44 0.438 -17.103 -2.349 1.00 0.25 H new ATOM 0 HA ILE A 44 -1.319 -14.811 -2.830 1.00 0.26 H new ATOM 0 HB ILE A 44 -2.041 -17.668 -3.169 1.00 0.32 H new ATOM 0 HG12 ILE A 44 -3.184 -14.988 -4.054 1.00 0.46 H new ATOM 0 HG13 ILE A 44 -2.206 -16.080 -5.014 1.00 0.46 H new ATOM 0 HG21 ILE A 44 -4.322 -17.389 -2.291 1.00 0.37 H new ATOM 0 HG22 ILE A 44 -3.093 -17.283 -1.008 1.00 0.37 H new ATOM 0 HG23 ILE A 44 -3.867 -15.803 -1.624 1.00 0.37 H new ATOM 0 HD11 ILE A 44 -4.562 -16.221 -5.658 1.00 0.57 H new ATOM 0 HD12 ILE A 44 -4.012 -17.765 -4.964 1.00 0.57 H new ATOM 0 HD13 ILE A 44 -5.006 -16.656 -3.990 1.00 0.57 H new ATOM 659 N ILE A 45 -1.451 -14.559 -0.417 1.00 0.23 N ATOM 660 CA ILE A 45 -1.487 -14.326 1.012 1.00 0.23 C ATOM 661 C ILE A 45 -2.639 -13.407 1.355 1.00 0.23 C ATOM 662 O ILE A 45 -3.243 -12.789 0.476 1.00 0.29 O ATOM 663 CB ILE A 45 -0.152 -13.767 1.586 1.00 0.24 C ATOM 664 CG1 ILE A 45 0.628 -12.936 0.540 1.00 0.25 C ATOM 665 CG2 ILE A 45 0.695 -14.929 2.103 1.00 0.26 C ATOM 666 CD1 ILE A 45 -0.167 -11.789 -0.061 1.00 0.29 C ATOM 0 H ILE A 45 -1.641 -13.731 -0.981 1.00 0.23 H new ATOM 0 HA ILE A 45 -1.633 -15.298 1.484 1.00 0.23 H new ATOM 0 HB ILE A 45 -0.386 -13.090 2.408 1.00 0.24 H new ATOM 0 HG12 ILE A 45 1.527 -12.535 1.008 1.00 0.25 H new ATOM 0 HG13 ILE A 45 0.955 -13.597 -0.263 1.00 0.25 H new ATOM 0 HG21 ILE A 45 1.632 -14.545 2.507 1.00 0.26 H new ATOM 0 HG22 ILE A 45 0.151 -15.455 2.887 1.00 0.26 H new ATOM 0 HG23 ILE A 45 0.907 -15.617 1.285 1.00 0.26 H new ATOM 0 HD11 ILE A 45 0.451 -11.257 -0.784 1.00 0.29 H new ATOM 0 HD12 ILE A 45 -1.052 -12.182 -0.561 1.00 0.29 H new ATOM 0 HD13 ILE A 45 -0.471 -11.103 0.730 1.00 0.29 H new ATOM 678 N ARG A 46 -2.921 -13.307 2.631 1.00 0.26 N ATOM 679 CA ARG A 46 -4.034 -12.499 3.077 1.00 0.27 C ATOM 680 C ARG A 46 -3.739 -11.771 4.369 1.00 0.28 C ATOM 681 O ARG A 46 -3.376 -12.375 5.373 1.00 0.34 O ATOM 682 CB ARG A 46 -5.291 -13.362 3.238 1.00 0.29 C ATOM 683 CG ARG A 46 -5.021 -14.749 3.810 1.00 0.31 C ATOM 684 CD ARG A 46 -5.188 -15.838 2.763 1.00 0.35 C ATOM 685 NE ARG A 46 -3.945 -16.579 2.568 1.00 0.36 N ATOM 686 CZ ARG A 46 -3.816 -17.610 1.742 1.00 0.37 C ATOM 687 NH1 ARG A 46 -4.852 -18.024 1.025 1.00 0.63 N ATOM 688 NH2 ARG A 46 -2.644 -18.217 1.627 1.00 0.39 N ATOM 0 H ARG A 46 -2.401 -13.771 3.376 1.00 0.26 H new ATOM 0 HA ARG A 46 -4.205 -11.744 2.309 1.00 0.27 H new ATOM 0 HB2 ARG A 46 -5.995 -12.843 3.888 1.00 0.29 H new ATOM 0 HB3 ARG A 46 -5.773 -13.468 2.266 1.00 0.29 H new ATOM 0 HG2 ARG A 46 -4.009 -14.785 4.212 1.00 0.31 H new ATOM 0 HG3 ARG A 46 -5.701 -14.937 4.641 1.00 0.31 H new ATOM 0 HD2 ARG A 46 -5.978 -16.523 3.070 1.00 0.35 H new ATOM 0 HD3 ARG A 46 -5.501 -15.393 1.819 1.00 0.35 H new ATOM 0 HE ARG A 46 -3.125 -16.286 3.099 1.00 0.36 H new ATOM 0 HH11 ARG A 46 -5.751 -17.550 1.107 1.00 0.63 H new ATOM 0 HH12 ARG A 46 -4.749 -18.817 0.391 1.00 0.63 H new ATOM 0 HH21 ARG A 46 -1.846 -17.892 2.172 1.00 0.39 H new ATOM 0 HH22 ARG A 46 -2.540 -19.010 0.994 1.00 0.39 H new ATOM 702 N LEU A 47 -3.874 -10.462 4.323 1.00 0.25 N ATOM 703 CA LEU A 47 -3.681 -9.632 5.494 1.00 0.27 C ATOM 704 C LEU A 47 -5.041 -9.209 5.971 1.00 0.26 C ATOM 705 O LEU A 47 -5.805 -8.613 5.216 1.00 0.25 O ATOM 706 CB LEU A 47 -2.831 -8.365 5.232 1.00 0.28 C ATOM 707 CG LEU A 47 -2.535 -8.010 3.778 1.00 0.27 C ATOM 708 CD1 LEU A 47 -1.891 -6.632 3.696 1.00 0.31 C ATOM 709 CD2 LEU A 47 -1.627 -9.049 3.127 1.00 0.29 C ATOM 0 H LEU A 47 -4.119 -9.946 3.478 1.00 0.25 H new ATOM 0 HA LEU A 47 -3.134 -10.220 6.231 1.00 0.27 H new ATOM 0 HB2 LEU A 47 -3.340 -7.517 5.690 1.00 0.28 H new ATOM 0 HB3 LEU A 47 -1.880 -8.484 5.751 1.00 0.28 H new ATOM 0 HG LEU A 47 -3.481 -8.000 3.236 1.00 0.27 H new ATOM 0 HD11 LEU A 47 -1.684 -6.389 2.654 1.00 0.31 H new ATOM 0 HD12 LEU A 47 -2.569 -5.888 4.115 1.00 0.31 H new ATOM 0 HD13 LEU A 47 -0.959 -6.632 4.261 1.00 0.31 H new ATOM 0 HD21 LEU A 47 -1.435 -8.767 2.092 1.00 0.29 H new ATOM 0 HD22 LEU A 47 -0.683 -9.099 3.670 1.00 0.29 H new ATOM 0 HD23 LEU A 47 -2.113 -10.024 3.153 1.00 0.29 H new ATOM 721 N ARG A 48 -5.373 -9.519 7.199 1.00 0.29 N ATOM 722 CA ARG A 48 -6.655 -9.131 7.718 1.00 0.29 C ATOM 723 C ARG A 48 -6.531 -7.667 8.070 1.00 0.29 C ATOM 724 O ARG A 48 -5.556 -7.276 8.714 1.00 0.31 O ATOM 725 CB ARG A 48 -7.011 -9.967 8.955 1.00 0.33 C ATOM 726 CG ARG A 48 -7.179 -11.459 8.673 1.00 0.35 C ATOM 727 CD ARG A 48 -5.842 -12.202 8.620 1.00 0.38 C ATOM 728 NE ARG A 48 -5.097 -12.119 9.891 1.00 0.47 N ATOM 729 CZ ARG A 48 -5.456 -12.762 11.003 1.00 0.59 C ATOM 730 NH1 ARG A 48 -6.501 -13.582 10.991 1.00 0.63 N ATOM 731 NH2 ARG A 48 -4.757 -12.601 12.119 1.00 0.73 N ATOM 0 H ARG A 48 -4.779 -10.033 7.850 1.00 0.29 H new ATOM 0 HA ARG A 48 -7.451 -9.296 6.992 1.00 0.29 H new ATOM 0 HB2 ARG A 48 -6.231 -9.836 9.705 1.00 0.33 H new ATOM 0 HB3 ARG A 48 -7.936 -9.583 9.386 1.00 0.33 H new ATOM 0 HG2 ARG A 48 -7.807 -11.903 9.446 1.00 0.35 H new ATOM 0 HG3 ARG A 48 -7.701 -11.589 7.725 1.00 0.35 H new ATOM 0 HD2 ARG A 48 -6.022 -13.249 8.376 1.00 0.38 H new ATOM 0 HD3 ARG A 48 -5.232 -11.788 7.817 1.00 0.38 H new ATOM 0 HE ARG A 48 -4.260 -11.537 9.921 1.00 0.47 H new ATOM 0 HH11 ARG A 48 -7.030 -13.721 10.130 1.00 0.63 H new ATOM 0 HH12 ARG A 48 -6.774 -14.073 11.842 1.00 0.63 H new ATOM 0 HH21 ARG A 48 -3.944 -11.985 12.127 1.00 0.73 H new ATOM 0 HH22 ARG A 48 -5.033 -13.093 12.969 1.00 0.73 H new ATOM 745 N GLU A 49 -7.459 -6.842 7.627 1.00 0.28 N ATOM 746 CA GLU A 49 -7.349 -5.433 7.917 1.00 0.31 C ATOM 747 C GLU A 49 -7.802 -5.171 9.352 1.00 0.35 C ATOM 748 O GLU A 49 -8.829 -5.691 9.790 1.00 0.37 O ATOM 749 CB GLU A 49 -8.186 -4.583 6.957 1.00 0.32 C ATOM 750 CG GLU A 49 -7.986 -3.086 7.165 1.00 0.40 C ATOM 751 CD GLU A 49 -9.086 -2.235 6.568 1.00 0.44 C ATOM 752 OE1 GLU A 49 -9.074 -2.012 5.340 1.00 1.05 O ATOM 753 OE2 GLU A 49 -9.953 -1.769 7.333 1.00 0.89 O ATOM 0 H GLU A 49 -8.275 -7.116 7.080 1.00 0.28 H new ATOM 0 HA GLU A 49 -6.304 -5.149 7.790 1.00 0.31 H new ATOM 0 HB2 GLU A 49 -7.926 -4.840 5.930 1.00 0.32 H new ATOM 0 HB3 GLU A 49 -9.240 -4.826 7.089 1.00 0.32 H new ATOM 0 HG2 GLU A 49 -7.921 -2.882 8.234 1.00 0.40 H new ATOM 0 HG3 GLU A 49 -7.033 -2.792 6.726 1.00 0.40 H new ATOM 760 N ARG A 50 -7.041 -4.374 10.078 1.00 0.37 N ATOM 761 CA ARG A 50 -7.368 -4.058 11.456 1.00 0.42 C ATOM 762 C ARG A 50 -7.896 -2.630 11.551 1.00 0.46 C ATOM 763 O ARG A 50 -7.141 -1.692 11.813 1.00 0.51 O ATOM 764 CB ARG A 50 -6.131 -4.227 12.334 1.00 0.47 C ATOM 765 CG ARG A 50 -6.439 -4.541 13.786 1.00 0.47 C ATOM 766 CD ARG A 50 -5.183 -4.465 14.642 1.00 0.53 C ATOM 767 NE ARG A 50 -5.255 -5.337 15.814 1.00 0.95 N ATOM 768 CZ ARG A 50 -4.506 -5.188 16.908 1.00 1.24 C ATOM 769 NH1 ARG A 50 -3.676 -4.157 17.021 1.00 1.52 N ATOM 770 NH2 ARG A 50 -4.609 -6.061 17.901 1.00 1.71 N ATOM 0 H ARG A 50 -6.188 -3.932 9.735 1.00 0.37 H new ATOM 0 HA ARG A 50 -8.142 -4.740 11.806 1.00 0.42 H new ATOM 0 HB2 ARG A 50 -5.514 -5.027 11.924 1.00 0.47 H new ATOM 0 HB3 ARG A 50 -5.539 -3.313 12.289 1.00 0.47 H new ATOM 0 HG2 ARG A 50 -7.183 -3.839 14.163 1.00 0.47 H new ATOM 0 HG3 ARG A 50 -6.874 -5.537 13.861 1.00 0.47 H new ATOM 0 HD2 ARG A 50 -4.318 -4.742 14.039 1.00 0.53 H new ATOM 0 HD3 ARG A 50 -5.029 -3.436 14.967 1.00 0.53 H new ATOM 0 HE ARG A 50 -5.921 -6.109 15.794 1.00 0.95 H new ATOM 0 HH11 ARG A 50 -3.608 -3.472 16.268 1.00 1.52 H new ATOM 0 HH12 ARG A 50 -3.107 -4.050 17.861 1.00 1.52 H new ATOM 0 HH21 ARG A 50 -5.259 -6.843 17.827 1.00 1.71 H new ATOM 0 HH22 ARG A 50 -4.038 -5.950 18.739 1.00 1.71 H new ATOM 784 N GLY A 51 -9.194 -2.478 11.315 1.00 0.52 N ATOM 785 CA GLY A 51 -9.826 -1.175 11.367 1.00 0.60 C ATOM 786 C GLY A 51 -11.269 -1.237 10.910 1.00 0.56 C ATOM 787 O GLY A 51 -12.177 -0.809 11.626 1.00 0.65 O ATOM 0 H GLY A 51 -9.826 -3.245 11.086 1.00 0.52 H new ATOM 0 HA2 GLY A 51 -9.782 -0.789 12.386 1.00 0.60 H new ATOM 0 HA3 GLY A 51 -9.274 -0.477 10.738 1.00 0.60 H new ATOM 791 N THR A 52 -11.481 -1.778 9.719 1.00 0.49 N ATOM 792 CA THR A 52 -12.818 -1.908 9.170 1.00 0.47 C ATOM 793 C THR A 52 -13.164 -3.392 8.997 1.00 0.45 C ATOM 794 O THR A 52 -12.429 -4.262 9.468 1.00 0.68 O ATOM 795 CB THR A 52 -12.928 -1.158 7.813 1.00 0.52 C ATOM 796 OG1 THR A 52 -11.938 -0.124 7.767 1.00 0.62 O ATOM 797 CG2 THR A 52 -14.325 -0.530 7.584 1.00 0.59 C ATOM 0 H THR A 52 -10.740 -2.134 9.115 1.00 0.49 H new ATOM 0 HA THR A 52 -13.530 -1.458 9.862 1.00 0.47 H new ATOM 0 HB THR A 52 -12.768 -1.893 7.024 1.00 0.52 H new ATOM 0 HG1 THR A 52 -11.107 -0.483 7.391 1.00 0.62 H new ATOM 0 HG21 THR A 52 -14.341 -0.020 6.621 1.00 0.59 H new ATOM 0 HG22 THR A 52 -15.082 -1.314 7.592 1.00 0.59 H new ATOM 0 HG23 THR A 52 -14.536 0.187 8.378 1.00 0.59 H new ATOM 805 N LYS A 53 -14.278 -3.682 8.335 1.00 0.38 N ATOM 806 CA LYS A 53 -14.711 -5.059 8.133 1.00 0.37 C ATOM 807 C LYS A 53 -14.446 -5.502 6.697 1.00 0.35 C ATOM 808 O LYS A 53 -15.331 -5.429 5.838 1.00 0.45 O ATOM 809 CB LYS A 53 -16.198 -5.192 8.456 1.00 0.44 C ATOM 810 CG LYS A 53 -16.610 -4.509 9.751 1.00 0.54 C ATOM 811 CD LYS A 53 -18.104 -4.209 9.779 1.00 0.55 C ATOM 812 CE LYS A 53 -18.467 -3.075 8.828 1.00 0.62 C ATOM 813 NZ LYS A 53 -19.909 -2.714 8.910 1.00 0.74 N ATOM 0 H LYS A 53 -14.898 -2.981 7.929 1.00 0.38 H new ATOM 0 HA LYS A 53 -14.141 -5.702 8.803 1.00 0.37 H new ATOM 0 HB2 LYS A 53 -16.777 -4.771 7.634 1.00 0.44 H new ATOM 0 HB3 LYS A 53 -16.453 -6.250 8.517 1.00 0.44 H new ATOM 0 HG2 LYS A 53 -16.351 -5.146 10.597 1.00 0.54 H new ATOM 0 HG3 LYS A 53 -16.050 -3.581 9.867 1.00 0.54 H new ATOM 0 HD2 LYS A 53 -18.661 -5.106 9.506 1.00 0.55 H new ATOM 0 HD3 LYS A 53 -18.403 -3.944 10.793 1.00 0.55 H new ATOM 0 HE2 LYS A 53 -17.861 -2.199 9.061 1.00 0.62 H new ATOM 0 HE3 LYS A 53 -18.225 -3.368 7.806 1.00 0.62 H new ATOM 0 HZ1 LYS A 53 -20.111 -1.939 8.247 1.00 0.74 H new ATOM 0 HZ2 LYS A 53 -20.489 -3.541 8.663 1.00 0.74 H new ATOM 0 HZ3 LYS A 53 -20.136 -2.409 9.878 1.00 0.74 H new ATOM 827 N LYS A 54 -13.218 -5.946 6.438 1.00 0.30 N ATOM 828 CA LYS A 54 -12.846 -6.382 5.096 1.00 0.29 C ATOM 829 C LYS A 54 -11.627 -7.297 5.092 1.00 0.27 C ATOM 830 O LYS A 54 -10.627 -7.038 5.766 1.00 0.30 O ATOM 831 CB LYS A 54 -12.557 -5.159 4.209 1.00 0.32 C ATOM 832 CG LYS A 54 -12.279 -3.896 5.004 1.00 0.61 C ATOM 833 CD LYS A 54 -13.077 -2.721 4.471 1.00 0.58 C ATOM 834 CE LYS A 54 -12.342 -2.013 3.353 1.00 0.49 C ATOM 835 NZ LYS A 54 -12.913 -0.669 3.076 1.00 0.82 N ATOM 0 H LYS A 54 -12.472 -6.013 7.131 1.00 0.30 H new ATOM 0 HA LYS A 54 -13.690 -6.950 4.704 1.00 0.29 H new ATOM 0 HB2 LYS A 54 -11.700 -5.375 3.571 1.00 0.32 H new ATOM 0 HB3 LYS A 54 -13.408 -4.986 3.551 1.00 0.32 H new ATOM 0 HG2 LYS A 54 -12.528 -4.062 6.052 1.00 0.61 H new ATOM 0 HG3 LYS A 54 -11.215 -3.664 4.962 1.00 0.61 H new ATOM 0 HD2 LYS A 54 -14.043 -3.071 4.108 1.00 0.58 H new ATOM 0 HD3 LYS A 54 -13.276 -2.018 5.280 1.00 0.58 H new ATOM 0 HE2 LYS A 54 -11.289 -1.912 3.618 1.00 0.49 H new ATOM 0 HE3 LYS A 54 -12.387 -2.620 2.448 1.00 0.49 H new ATOM 0 HZ1 LYS A 54 -12.381 -0.218 2.304 1.00 0.82 H new ATOM 0 HZ2 LYS A 54 -13.911 -0.766 2.798 1.00 0.82 H new ATOM 0 HZ3 LYS A 54 -12.847 -0.081 3.931 1.00 0.82 H new ATOM 849 N VAL A 55 -11.711 -8.359 4.299 1.00 0.25 N ATOM 850 CA VAL A 55 -10.618 -9.305 4.164 1.00 0.25 C ATOM 851 C VAL A 55 -9.736 -8.851 3.013 1.00 0.24 C ATOM 852 O VAL A 55 -10.238 -8.436 1.970 1.00 0.26 O ATOM 853 CB VAL A 55 -11.128 -10.739 3.907 1.00 0.28 C ATOM 854 CG1 VAL A 55 -10.002 -11.755 4.049 1.00 0.31 C ATOM 855 CG2 VAL A 55 -12.272 -11.062 4.857 1.00 0.31 C ATOM 0 H VAL A 55 -12.532 -8.584 3.738 1.00 0.25 H new ATOM 0 HA VAL A 55 -10.054 -9.329 5.096 1.00 0.25 H new ATOM 0 HB VAL A 55 -11.496 -10.797 2.883 1.00 0.28 H new ATOM 0 HG11 VAL A 55 -10.390 -12.756 3.863 1.00 0.31 H new ATOM 0 HG12 VAL A 55 -9.216 -11.530 3.328 1.00 0.31 H new ATOM 0 HG13 VAL A 55 -9.593 -11.706 5.058 1.00 0.31 H new ATOM 0 HG21 VAL A 55 -12.626 -12.076 4.669 1.00 0.31 H new ATOM 0 HG22 VAL A 55 -11.923 -10.985 5.887 1.00 0.31 H new ATOM 0 HG23 VAL A 55 -13.088 -10.357 4.697 1.00 0.31 H new ATOM 865 N HIS A 56 -8.424 -8.922 3.181 1.00 0.23 N ATOM 866 CA HIS A 56 -7.516 -8.462 2.145 1.00 0.24 C ATOM 867 C HIS A 56 -6.706 -9.622 1.591 1.00 0.24 C ATOM 868 O HIS A 56 -5.914 -10.223 2.309 1.00 0.25 O ATOM 869 CB HIS A 56 -6.568 -7.388 2.696 1.00 0.25 C ATOM 870 CG HIS A 56 -7.190 -6.030 2.857 1.00 0.25 C ATOM 871 ND1 HIS A 56 -8.376 -5.813 3.530 1.00 0.28 N ATOM 872 CD2 HIS A 56 -6.768 -4.813 2.438 1.00 0.27 C ATOM 873 CE1 HIS A 56 -8.660 -4.524 3.518 1.00 0.30 C ATOM 874 NE2 HIS A 56 -7.699 -3.894 2.862 1.00 0.30 N ATOM 0 H HIS A 56 -7.969 -9.290 4.017 1.00 0.23 H new ATOM 0 HA HIS A 56 -8.113 -8.030 1.342 1.00 0.24 H new ATOM 0 HB2 HIS A 56 -6.190 -7.717 3.664 1.00 0.25 H new ATOM 0 HB3 HIS A 56 -5.709 -7.304 2.030 1.00 0.25 H new ATOM 0 HD2 HIS A 56 -5.869 -4.604 1.877 1.00 0.27 H new ATOM 0 HE1 HIS A 56 -9.528 -4.063 3.966 1.00 0.30 H new ATOM 0 HE2 HIS A 56 -7.656 -2.888 2.697 1.00 0.30 H new ATOM 883 N VAL A 57 -6.896 -9.922 0.320 1.00 0.23 N ATOM 884 CA VAL A 57 -6.169 -11.002 -0.313 1.00 0.23 C ATOM 885 C VAL A 57 -5.750 -10.576 -1.717 1.00 0.24 C ATOM 886 O VAL A 57 -6.550 -10.039 -2.508 1.00 0.24 O ATOM 887 CB VAL A 57 -6.988 -12.317 -0.341 1.00 0.24 C ATOM 888 CG1 VAL A 57 -8.261 -12.165 -1.154 1.00 0.32 C ATOM 889 CG2 VAL A 57 -6.143 -13.468 -0.866 1.00 0.27 C ATOM 0 H VAL A 57 -7.548 -9.432 -0.293 1.00 0.23 H new ATOM 0 HA VAL A 57 -5.277 -11.210 0.278 1.00 0.23 H new ATOM 0 HB VAL A 57 -7.280 -12.545 0.684 1.00 0.24 H new ATOM 0 HG11 VAL A 57 -8.809 -13.107 -1.151 1.00 0.32 H new ATOM 0 HG12 VAL A 57 -8.881 -11.383 -0.716 1.00 0.32 H new ATOM 0 HG13 VAL A 57 -8.008 -11.896 -2.179 1.00 0.32 H new ATOM 0 HG21 VAL A 57 -6.738 -14.381 -0.877 1.00 0.27 H new ATOM 0 HG22 VAL A 57 -5.808 -13.241 -1.878 1.00 0.27 H new ATOM 0 HG23 VAL A 57 -5.276 -13.608 -0.220 1.00 0.27 H new ATOM 899 N PHE A 58 -4.486 -10.764 -2.027 1.00 0.24 N ATOM 900 CA PHE A 58 -3.974 -10.372 -3.316 1.00 0.25 C ATOM 901 C PHE A 58 -2.779 -11.234 -3.671 1.00 0.25 C ATOM 902 O PHE A 58 -2.098 -11.764 -2.790 1.00 0.26 O ATOM 903 CB PHE A 58 -3.598 -8.875 -3.344 1.00 0.26 C ATOM 904 CG PHE A 58 -3.425 -8.234 -1.972 1.00 0.25 C ATOM 905 CD1 PHE A 58 -2.212 -8.260 -1.268 1.00 0.25 C ATOM 906 CD2 PHE A 58 -4.512 -7.609 -1.374 1.00 0.27 C ATOM 907 CE1 PHE A 58 -2.115 -7.683 -0.015 1.00 0.26 C ATOM 908 CE2 PHE A 58 -4.407 -7.029 -0.124 1.00 0.28 C ATOM 909 CZ PHE A 58 -3.211 -7.068 0.558 1.00 0.27 C ATOM 0 H PHE A 58 -3.797 -11.185 -1.404 1.00 0.24 H new ATOM 0 HA PHE A 58 -4.757 -10.521 -4.059 1.00 0.25 H new ATOM 0 HB2 PHE A 58 -2.670 -8.758 -3.904 1.00 0.26 H new ATOM 0 HB3 PHE A 58 -4.370 -8.331 -3.889 1.00 0.26 H new ATOM 0 HD1 PHE A 58 -1.347 -8.734 -1.708 1.00 0.25 H new ATOM 0 HD2 PHE A 58 -5.457 -7.576 -1.896 1.00 0.27 H new ATOM 0 HE1 PHE A 58 -1.177 -7.713 0.519 1.00 0.26 H new ATOM 0 HE2 PHE A 58 -5.264 -6.544 0.319 1.00 0.28 H new ATOM 0 HZ PHE A 58 -3.130 -6.619 1.537 1.00 0.27 H new ATOM 919 N LYS A 59 -2.569 -11.410 -4.960 1.00 0.25 N ATOM 920 CA LYS A 59 -1.454 -12.183 -5.457 1.00 0.26 C ATOM 921 C LYS A 59 -0.301 -11.220 -5.646 1.00 0.25 C ATOM 922 O LYS A 59 -0.534 -10.064 -5.995 1.00 0.26 O ATOM 923 CB LYS A 59 -1.841 -12.841 -6.782 1.00 0.28 C ATOM 924 CG LYS A 59 -0.786 -13.779 -7.343 1.00 0.32 C ATOM 925 CD LYS A 59 -1.302 -14.523 -8.564 1.00 0.40 C ATOM 926 CE LYS A 59 -2.272 -15.627 -8.174 1.00 0.49 C ATOM 927 NZ LYS A 59 -3.594 -15.468 -8.837 1.00 0.61 N ATOM 0 H LYS A 59 -3.167 -11.021 -5.689 1.00 0.25 H new ATOM 0 HA LYS A 59 -1.172 -12.976 -4.764 1.00 0.26 H new ATOM 0 HB2 LYS A 59 -2.768 -13.397 -6.641 1.00 0.28 H new ATOM 0 HB3 LYS A 59 -2.045 -12.061 -7.516 1.00 0.28 H new ATOM 0 HG2 LYS A 59 0.104 -13.210 -7.611 1.00 0.32 H new ATOM 0 HG3 LYS A 59 -0.488 -14.495 -6.577 1.00 0.32 H new ATOM 0 HD2 LYS A 59 -1.797 -13.822 -9.236 1.00 0.40 H new ATOM 0 HD3 LYS A 59 -0.463 -14.951 -9.112 1.00 0.40 H new ATOM 0 HE2 LYS A 59 -1.847 -16.594 -8.441 1.00 0.49 H new ATOM 0 HE3 LYS A 59 -2.407 -15.626 -7.092 1.00 0.49 H new ATOM 0 HZ1 LYS A 59 -4.119 -16.364 -8.784 1.00 0.61 H new ATOM 0 HZ2 LYS A 59 -4.135 -14.721 -8.357 1.00 0.61 H new ATOM 0 HZ3 LYS A 59 -3.453 -15.208 -9.834 1.00 0.61 H new ATOM 941 N ALA A 60 0.931 -11.635 -5.419 1.00 0.26 N ATOM 942 CA ALA A 60 2.041 -10.725 -5.574 1.00 0.26 C ATOM 943 C ALA A 60 3.304 -11.516 -5.811 1.00 0.26 C ATOM 944 O ALA A 60 3.428 -12.652 -5.354 1.00 0.29 O ATOM 945 CB ALA A 60 2.202 -9.859 -4.319 1.00 0.26 C ATOM 0 H ALA A 60 1.182 -12.581 -5.132 1.00 0.26 H new ATOM 0 HA ALA A 60 1.849 -10.072 -6.425 1.00 0.26 H new ATOM 0 HB1 ALA A 60 3.043 -9.178 -4.452 1.00 0.26 H new ATOM 0 HB2 ALA A 60 1.291 -9.283 -4.155 1.00 0.26 H new ATOM 0 HB3 ALA A 60 2.386 -10.499 -3.456 1.00 0.26 H new ATOM 951 N TRP A 61 4.223 -10.922 -6.537 1.00 0.24 N ATOM 952 CA TRP A 61 5.485 -11.567 -6.819 1.00 0.25 C ATOM 953 C TRP A 61 6.593 -10.531 -6.855 1.00 0.25 C ATOM 954 O TRP A 61 6.314 -9.332 -6.847 1.00 0.26 O ATOM 955 CB TRP A 61 5.404 -12.387 -8.117 1.00 0.27 C ATOM 956 CG TRP A 61 5.511 -11.597 -9.390 1.00 0.29 C ATOM 957 CD1 TRP A 61 6.654 -11.345 -10.087 1.00 0.33 C ATOM 958 CD2 TRP A 61 4.442 -10.989 -10.133 1.00 0.32 C ATOM 959 NE1 TRP A 61 6.375 -10.618 -11.216 1.00 0.37 N ATOM 960 CE2 TRP A 61 5.018 -10.384 -11.271 1.00 0.36 C ATOM 961 CE3 TRP A 61 3.053 -10.895 -9.950 1.00 0.34 C ATOM 962 CZ2 TRP A 61 4.250 -9.697 -12.220 1.00 0.41 C ATOM 963 CZ3 TRP A 61 2.302 -10.215 -10.889 1.00 0.39 C ATOM 964 CH2 TRP A 61 2.899 -9.627 -12.009 1.00 0.42 C ATOM 0 H TRP A 61 4.120 -9.992 -6.943 1.00 0.24 H new ATOM 0 HA TRP A 61 5.717 -12.273 -6.022 1.00 0.25 H new ATOM 0 HB2 TRP A 61 6.199 -13.133 -8.105 1.00 0.27 H new ATOM 0 HB3 TRP A 61 4.458 -12.929 -8.125 1.00 0.27 H new ATOM 0 HD1 TRP A 61 7.640 -11.672 -9.792 1.00 0.33 H new ATOM 0 HE1 TRP A 61 7.060 -10.302 -11.903 1.00 0.37 H new ATOM 0 HE3 TRP A 61 2.580 -11.346 -9.090 1.00 0.34 H new ATOM 0 HZ2 TRP A 61 4.706 -9.240 -13.085 1.00 0.41 H new ATOM 0 HZ3 TRP A 61 1.233 -10.136 -10.756 1.00 0.39 H new ATOM 0 HH2 TRP A 61 2.280 -9.106 -12.724 1.00 0.42 H new ATOM 975 N LYS A 62 7.838 -10.982 -6.877 1.00 0.27 N ATOM 976 CA LYS A 62 8.967 -10.066 -6.872 1.00 0.29 C ATOM 977 C LYS A 62 9.918 -10.315 -8.030 1.00 0.30 C ATOM 978 O LYS A 62 10.037 -11.432 -8.528 1.00 0.31 O ATOM 979 CB LYS A 62 9.742 -10.189 -5.563 1.00 0.33 C ATOM 980 CG LYS A 62 9.094 -9.478 -4.388 1.00 0.41 C ATOM 981 CD LYS A 62 9.967 -9.562 -3.147 1.00 0.43 C ATOM 982 CE LYS A 62 10.321 -8.182 -2.622 1.00 0.56 C ATOM 983 NZ LYS A 62 11.515 -8.221 -1.739 1.00 0.57 N ATOM 0 H LYS A 62 8.091 -11.970 -6.898 1.00 0.27 H new ATOM 0 HA LYS A 62 8.557 -9.062 -6.978 1.00 0.29 H new ATOM 0 HB2 LYS A 62 9.854 -11.245 -5.318 1.00 0.33 H new ATOM 0 HB3 LYS A 62 10.745 -9.788 -5.708 1.00 0.33 H new ATOM 0 HG2 LYS A 62 8.919 -8.433 -4.643 1.00 0.41 H new ATOM 0 HG3 LYS A 62 8.120 -9.923 -4.182 1.00 0.41 H new ATOM 0 HD2 LYS A 62 9.447 -10.125 -2.372 1.00 0.43 H new ATOM 0 HD3 LYS A 62 10.880 -10.109 -3.380 1.00 0.43 H new ATOM 0 HE2 LYS A 62 10.510 -7.511 -3.460 1.00 0.56 H new ATOM 0 HE3 LYS A 62 9.474 -7.774 -2.071 1.00 0.56 H new ATOM 0 HZ1 LYS A 62 11.224 -8.054 -0.755 1.00 0.57 H new ATOM 0 HZ2 LYS A 62 11.970 -9.153 -1.812 1.00 0.57 H new ATOM 0 HZ3 LYS A 62 12.187 -7.483 -2.032 1.00 0.57 H new ATOM 997 N GLU A 63 10.592 -9.258 -8.454 1.00 0.31 N ATOM 998 CA GLU A 63 11.562 -9.343 -9.534 1.00 0.34 C ATOM 999 C GLU A 63 12.845 -8.629 -9.125 1.00 0.35 C ATOM 1000 O GLU A 63 12.811 -7.467 -8.725 1.00 0.35 O ATOM 1001 CB GLU A 63 11.000 -8.724 -10.811 1.00 0.38 C ATOM 1002 CG GLU A 63 9.590 -9.184 -11.144 1.00 0.46 C ATOM 1003 CD GLU A 63 9.362 -9.342 -12.629 1.00 0.63 C ATOM 1004 OE1 GLU A 63 10.143 -8.774 -13.423 1.00 0.90 O ATOM 1005 OE2 GLU A 63 8.410 -10.056 -13.013 1.00 0.98 O ATOM 0 H GLU A 63 10.483 -8.323 -8.062 1.00 0.31 H new ATOM 0 HA GLU A 63 11.780 -10.393 -9.730 1.00 0.34 H new ATOM 0 HB2 GLU A 63 11.004 -7.639 -10.710 1.00 0.38 H new ATOM 0 HB3 GLU A 63 11.659 -8.970 -11.644 1.00 0.38 H new ATOM 0 HG2 GLU A 63 9.396 -10.135 -10.648 1.00 0.46 H new ATOM 0 HG3 GLU A 63 8.874 -8.465 -10.745 1.00 0.46 H new ATOM 1012 N ILE A 64 13.974 -9.316 -9.219 1.00 0.36 N ATOM 1013 CA ILE A 64 15.249 -8.726 -8.834 1.00 0.39 C ATOM 1014 C ILE A 64 15.759 -7.780 -9.909 1.00 0.38 C ATOM 1015 O ILE A 64 16.283 -8.220 -10.934 1.00 0.39 O ATOM 1016 CB ILE A 64 16.320 -9.805 -8.565 1.00 0.44 C ATOM 1017 CG1 ILE A 64 15.806 -10.825 -7.547 1.00 0.48 C ATOM 1018 CG2 ILE A 64 17.612 -9.159 -8.077 1.00 0.50 C ATOM 1019 CD1 ILE A 64 16.688 -12.047 -7.428 1.00 0.60 C ATOM 0 H ILE A 64 14.034 -10.277 -9.556 1.00 0.36 H new ATOM 0 HA ILE A 64 15.071 -8.170 -7.913 1.00 0.39 H new ATOM 0 HB ILE A 64 16.530 -10.329 -9.497 1.00 0.44 H new ATOM 0 HG12 ILE A 64 15.727 -10.346 -6.571 1.00 0.48 H new ATOM 0 HG13 ILE A 64 14.801 -11.137 -7.831 1.00 0.48 H new ATOM 0 HG21 ILE A 64 18.358 -9.932 -7.891 1.00 0.50 H new ATOM 0 HG22 ILE A 64 17.984 -8.471 -8.836 1.00 0.50 H new ATOM 0 HG23 ILE A 64 17.419 -8.612 -7.154 1.00 0.50 H new ATOM 0 HD11 ILE A 64 16.267 -12.729 -6.690 1.00 0.60 H new ATOM 0 HD12 ILE A 64 16.747 -12.549 -8.394 1.00 0.60 H new ATOM 0 HD13 ILE A 64 17.687 -11.745 -7.114 1.00 0.60 H new ATOM 1031 N VAL A 65 15.604 -6.481 -9.668 1.00 0.38 N ATOM 1032 CA VAL A 65 16.046 -5.456 -10.607 1.00 0.40 C ATOM 1033 C VAL A 65 16.298 -4.140 -9.889 1.00 0.42 C ATOM 1034 O VAL A 65 15.639 -3.850 -8.886 1.00 0.42 O ATOM 1035 CB VAL A 65 15.023 -5.192 -11.741 1.00 0.41 C ATOM 1036 CG1 VAL A 65 15.249 -6.172 -12.906 1.00 0.47 C ATOM 1037 CG2 VAL A 65 13.593 -5.302 -11.219 1.00 0.43 C ATOM 0 H VAL A 65 15.171 -6.112 -8.822 1.00 0.38 H new ATOM 0 HA VAL A 65 16.965 -5.840 -11.050 1.00 0.40 H new ATOM 0 HB VAL A 65 15.173 -4.176 -12.107 1.00 0.41 H new ATOM 0 HG11 VAL A 65 14.523 -5.974 -13.694 1.00 0.47 H new ATOM 0 HG12 VAL A 65 16.257 -6.042 -13.300 1.00 0.47 H new ATOM 0 HG13 VAL A 65 15.128 -7.195 -12.550 1.00 0.47 H new ATOM 0 HG21 VAL A 65 12.893 -5.113 -12.033 1.00 0.43 H new ATOM 0 HG22 VAL A 65 13.426 -6.304 -10.823 1.00 0.43 H new ATOM 0 HG23 VAL A 65 13.437 -4.568 -10.428 1.00 0.43 H new ATOM 1047 N ASP A 66 17.313 -3.416 -10.385 1.00 0.44 N ATOM 1048 CA ASP A 66 17.730 -2.083 -9.916 1.00 0.47 C ATOM 1049 C ASP A 66 19.248 -2.021 -9.818 1.00 0.49 C ATOM 1050 O ASP A 66 19.941 -2.937 -10.269 1.00 0.50 O ATOM 1051 CB ASP A 66 17.111 -1.648 -8.581 1.00 0.49 C ATOM 1052 CG ASP A 66 16.323 -0.368 -8.735 1.00 0.59 C ATOM 1053 OD1 ASP A 66 16.868 0.586 -9.329 1.00 0.91 O ATOM 1054 OD2 ASP A 66 15.172 -0.298 -8.263 1.00 0.89 O ATOM 0 H ASP A 66 17.890 -3.756 -11.155 1.00 0.44 H new ATOM 0 HA ASP A 66 17.354 -1.381 -10.661 1.00 0.47 H new ATOM 0 HB2 ASP A 66 16.459 -2.437 -8.205 1.00 0.49 H new ATOM 0 HB3 ASP A 66 17.899 -1.506 -7.841 1.00 0.49 H new ATOM 1059 N ALA A 67 19.755 -0.949 -9.212 1.00 0.51 N ATOM 1060 CA ALA A 67 21.193 -0.740 -9.071 1.00 0.54 C ATOM 1061 C ALA A 67 21.460 0.509 -8.242 1.00 0.53 C ATOM 1062 O ALA A 67 20.585 1.369 -8.142 1.00 0.52 O ATOM 1063 CB ALA A 67 21.851 -0.610 -10.441 1.00 0.60 C ATOM 0 H ALA A 67 19.185 -0.206 -8.808 1.00 0.51 H new ATOM 0 HA ALA A 67 21.621 -1.603 -8.561 1.00 0.54 H new ATOM 0 HB1 ALA A 67 22.923 -0.455 -10.317 1.00 0.60 H new ATOM 0 HB2 ALA A 67 21.681 -1.521 -11.014 1.00 0.60 H new ATOM 0 HB3 ALA A 67 21.421 0.239 -10.972 1.00 0.60 H new ATOM 1069 N PRO A 68 22.654 0.624 -7.620 1.00 0.56 N ATOM 1070 CA PRO A 68 23.016 1.788 -6.796 1.00 0.56 C ATOM 1071 C PRO A 68 22.752 3.109 -7.513 1.00 0.56 C ATOM 1072 O PRO A 68 23.543 3.544 -8.346 1.00 0.59 O ATOM 1073 CB PRO A 68 24.514 1.606 -6.566 1.00 0.60 C ATOM 1074 CG PRO A 68 24.746 0.143 -6.667 1.00 0.82 C ATOM 1075 CD PRO A 68 23.749 -0.371 -7.670 1.00 0.60 C ATOM 0 HA PRO A 68 22.429 1.835 -5.879 1.00 0.56 H new ATOM 0 HB2 PRO A 68 25.096 2.150 -7.310 1.00 0.60 H new ATOM 0 HB3 PRO A 68 24.812 1.986 -5.589 1.00 0.60 H new ATOM 0 HG2 PRO A 68 25.766 -0.068 -6.988 1.00 0.82 H new ATOM 0 HG3 PRO A 68 24.610 -0.341 -5.700 1.00 0.82 H new ATOM 0 HD2 PRO A 68 24.183 -0.438 -8.667 1.00 0.60 H new ATOM 0 HD3 PRO A 68 23.396 -1.368 -7.408 1.00 0.60 H new ATOM 1083 N LYS A 69 21.623 3.731 -7.202 1.00 0.55 N ATOM 1084 CA LYS A 69 21.251 4.992 -7.829 1.00 0.58 C ATOM 1085 C LYS A 69 21.316 6.153 -6.839 1.00 0.56 C ATOM 1086 O LYS A 69 22.397 6.624 -6.496 1.00 0.61 O ATOM 1087 CB LYS A 69 19.846 4.884 -8.431 1.00 0.61 C ATOM 1088 CG LYS A 69 19.763 3.982 -9.652 1.00 0.67 C ATOM 1089 CD LYS A 69 18.319 3.712 -10.042 1.00 0.79 C ATOM 1090 CE LYS A 69 18.227 2.801 -11.253 1.00 1.27 C ATOM 1091 NZ LYS A 69 16.875 2.195 -11.379 1.00 1.12 N ATOM 0 H LYS A 69 20.949 3.383 -6.520 1.00 0.55 H new ATOM 0 HA LYS A 69 21.968 5.196 -8.624 1.00 0.58 H new ATOM 0 HB2 LYS A 69 19.163 4.509 -7.668 1.00 0.61 H new ATOM 0 HB3 LYS A 69 19.502 5.881 -8.705 1.00 0.61 H new ATOM 0 HG2 LYS A 69 20.286 4.448 -10.487 1.00 0.67 H new ATOM 0 HG3 LYS A 69 20.269 3.039 -9.445 1.00 0.67 H new ATOM 0 HD2 LYS A 69 17.794 3.256 -9.203 1.00 0.79 H new ATOM 0 HD3 LYS A 69 17.817 4.655 -10.257 1.00 0.79 H new ATOM 0 HE2 LYS A 69 18.458 3.368 -12.155 1.00 1.27 H new ATOM 0 HE3 LYS A 69 18.974 2.012 -11.173 1.00 1.27 H new ATOM 0 HZ1 LYS A 69 16.692 1.960 -12.375 1.00 1.12 H new ATOM 0 HZ2 LYS A 69 16.828 1.330 -10.804 1.00 1.12 H new ATOM 0 HZ3 LYS A 69 16.159 2.872 -11.046 1.00 1.12 H new ATOM 1105 N ASN A 70 20.153 6.604 -6.389 1.00 0.57 N ATOM 1106 CA ASN A 70 20.070 7.718 -5.446 1.00 0.57 C ATOM 1107 C ASN A 70 19.226 7.347 -4.235 1.00 0.51 C ATOM 1108 O ASN A 70 18.646 8.206 -3.584 1.00 0.52 O ATOM 1109 CB ASN A 70 19.479 8.949 -6.141 1.00 0.61 C ATOM 1110 CG ASN A 70 18.190 8.637 -6.881 1.00 0.59 C ATOM 1111 OD1 ASN A 70 18.214 8.150 -8.011 1.00 0.65 O ATOM 1112 ND2 ASN A 70 17.060 8.912 -6.253 1.00 0.57 N ATOM 0 H ASN A 70 19.250 6.216 -6.661 1.00 0.57 H new ATOM 0 HA ASN A 70 21.078 7.949 -5.100 1.00 0.57 H new ATOM 0 HB2 ASN A 70 19.290 9.725 -5.399 1.00 0.61 H new ATOM 0 HB3 ASN A 70 20.209 9.351 -6.843 1.00 0.61 H new ATOM 0 HD21 ASN A 70 16.166 8.721 -6.705 1.00 0.57 H new ATOM 0 HD22 ASN A 70 17.082 9.315 -5.316 1.00 0.57 H new ATOM 1119 N ARG A 71 19.172 6.057 -3.937 1.00 0.47 N ATOM 1120 CA ARG A 71 18.399 5.572 -2.800 1.00 0.42 C ATOM 1121 C ARG A 71 19.064 5.982 -1.495 1.00 0.45 C ATOM 1122 O ARG A 71 20.286 6.149 -1.453 1.00 0.54 O ATOM 1123 CB ARG A 71 18.279 4.048 -2.841 1.00 0.40 C ATOM 1124 CG ARG A 71 16.904 3.548 -3.246 1.00 0.46 C ATOM 1125 CD ARG A 71 16.621 3.823 -4.708 1.00 0.62 C ATOM 1126 NE ARG A 71 17.540 3.093 -5.575 1.00 0.65 N ATOM 1127 CZ ARG A 71 17.152 2.378 -6.623 1.00 0.89 C ATOM 1128 NH1 ARG A 71 15.866 2.268 -6.923 1.00 1.03 N ATOM 1129 NH2 ARG A 71 18.045 1.750 -7.368 1.00 1.22 N ATOM 0 H ARG A 71 19.652 5.328 -4.464 1.00 0.47 H new ATOM 0 HA ARG A 71 17.404 6.013 -2.857 1.00 0.42 H new ATOM 0 HB2 ARG A 71 19.018 3.654 -3.539 1.00 0.40 H new ATOM 0 HB3 ARG A 71 18.525 3.648 -1.857 1.00 0.40 H new ATOM 0 HG2 ARG A 71 16.835 2.477 -3.056 1.00 0.46 H new ATOM 0 HG3 ARG A 71 16.145 4.030 -2.630 1.00 0.46 H new ATOM 0 HD2 ARG A 71 15.595 3.538 -4.941 1.00 0.62 H new ATOM 0 HD3 ARG A 71 16.707 4.892 -4.902 1.00 0.62 H new ATOM 0 HE ARG A 71 18.537 3.135 -5.363 1.00 0.65 H new ATOM 0 HH11 ARG A 71 15.166 2.735 -6.346 1.00 1.03 H new ATOM 0 HH12 ARG A 71 15.576 1.716 -7.730 1.00 1.03 H new ATOM 0 HH21 ARG A 71 19.037 1.814 -7.138 1.00 1.22 H new ATOM 0 HH22 ARG A 71 17.742 1.201 -8.173 1.00 1.22 H new ATOM 1143 N PRO A 72 18.277 6.163 -0.422 1.00 0.41 N ATOM 1144 CA PRO A 72 18.812 6.530 0.887 1.00 0.45 C ATOM 1145 C PRO A 72 19.868 5.528 1.348 1.00 0.46 C ATOM 1146 O PRO A 72 19.619 4.324 1.358 1.00 0.45 O ATOM 1147 CB PRO A 72 17.581 6.506 1.801 1.00 0.44 C ATOM 1148 CG PRO A 72 16.553 5.734 1.053 1.00 0.39 C ATOM 1149 CD PRO A 72 16.807 6.043 -0.388 1.00 0.37 C ATOM 0 HA PRO A 72 19.313 7.498 0.885 1.00 0.45 H new ATOM 0 HB2 PRO A 72 17.810 6.034 2.757 1.00 0.44 H new ATOM 0 HB3 PRO A 72 17.233 7.516 2.019 1.00 0.44 H new ATOM 0 HG2 PRO A 72 16.642 4.665 1.249 1.00 0.39 H new ATOM 0 HG3 PRO A 72 15.546 6.029 1.348 1.00 0.39 H new ATOM 0 HD2 PRO A 72 16.447 5.251 -1.045 1.00 0.37 H new ATOM 0 HD3 PRO A 72 16.315 6.964 -0.701 1.00 0.37 H new ATOM 1157 N ALA A 73 21.030 6.063 1.728 1.00 0.50 N ATOM 1158 CA ALA A 73 22.208 5.293 2.167 1.00 0.55 C ATOM 1159 C ALA A 73 21.913 3.915 2.772 1.00 0.53 C ATOM 1160 O ALA A 73 22.444 2.910 2.301 1.00 0.55 O ATOM 1161 CB ALA A 73 23.017 6.117 3.161 1.00 0.61 C ATOM 0 H ALA A 73 21.187 7.071 1.741 1.00 0.50 H new ATOM 0 HA ALA A 73 22.769 5.092 1.254 1.00 0.55 H new ATOM 0 HB1 ALA A 73 23.887 5.546 3.484 1.00 0.61 H new ATOM 0 HB2 ALA A 73 23.346 7.041 2.685 1.00 0.61 H new ATOM 0 HB3 ALA A 73 22.398 6.355 4.026 1.00 0.61 H new ATOM 1167 N TRP A 74 21.090 3.868 3.816 1.00 0.52 N ATOM 1168 CA TRP A 74 20.780 2.604 4.497 1.00 0.53 C ATOM 1169 C TRP A 74 20.283 1.506 3.548 1.00 0.50 C ATOM 1170 O TRP A 74 20.576 0.332 3.772 1.00 0.52 O ATOM 1171 CB TRP A 74 19.772 2.805 5.636 1.00 0.55 C ATOM 1172 CG TRP A 74 19.705 4.202 6.148 1.00 0.55 C ATOM 1173 CD1 TRP A 74 20.566 4.795 7.020 1.00 0.61 C ATOM 1174 CD2 TRP A 74 18.711 5.180 5.827 1.00 0.52 C ATOM 1175 NE1 TRP A 74 20.161 6.079 7.270 1.00 0.61 N ATOM 1176 CE2 TRP A 74 19.028 6.338 6.550 1.00 0.55 C ATOM 1177 CE3 TRP A 74 17.585 5.193 5.004 1.00 0.47 C ATOM 1178 CZ2 TRP A 74 18.263 7.492 6.478 1.00 0.55 C ATOM 1179 CZ3 TRP A 74 16.830 6.350 4.933 1.00 0.48 C ATOM 1180 CH2 TRP A 74 17.174 7.483 5.667 1.00 0.51 C ATOM 0 H TRP A 74 20.625 4.685 4.212 1.00 0.52 H new ATOM 0 HA TRP A 74 21.728 2.265 4.915 1.00 0.53 H new ATOM 0 HB2 TRP A 74 18.782 2.509 5.288 1.00 0.55 H new ATOM 0 HB3 TRP A 74 20.032 2.140 6.459 1.00 0.55 H new ATOM 0 HD1 TRP A 74 21.437 4.324 7.450 1.00 0.61 H new ATOM 0 HE1 TRP A 74 20.629 6.737 7.893 1.00 0.61 H new ATOM 0 HE3 TRP A 74 17.308 4.318 4.434 1.00 0.47 H new ATOM 0 HZ2 TRP A 74 18.525 8.370 7.049 1.00 0.55 H new ATOM 0 HZ3 TRP A 74 15.958 6.375 4.297 1.00 0.48 H new ATOM 0 HH2 TRP A 74 16.563 8.370 5.590 1.00 0.51 H new ATOM 1191 N MET A 75 19.530 1.856 2.507 1.00 0.47 N ATOM 1192 CA MET A 75 19.032 0.845 1.574 1.00 0.45 C ATOM 1193 C MET A 75 19.179 1.285 0.118 1.00 0.43 C ATOM 1194 O MET A 75 18.246 1.832 -0.472 1.00 0.43 O ATOM 1195 CB MET A 75 17.569 0.508 1.870 1.00 0.47 C ATOM 1196 CG MET A 75 17.395 -0.514 2.982 1.00 0.66 C ATOM 1197 SD MET A 75 18.289 -2.053 2.668 1.00 1.13 S ATOM 1198 CE MET A 75 17.648 -2.519 1.060 1.00 1.43 C ATOM 0 H MET A 75 19.255 2.814 2.290 1.00 0.47 H new ATOM 0 HA MET A 75 19.642 -0.047 1.717 1.00 0.45 H new ATOM 0 HB2 MET A 75 17.042 1.422 2.142 1.00 0.47 H new ATOM 0 HB3 MET A 75 17.101 0.128 0.962 1.00 0.47 H new ATOM 0 HG2 MET A 75 17.741 -0.084 3.922 1.00 0.66 H new ATOM 0 HG3 MET A 75 16.334 -0.734 3.104 1.00 0.66 H new ATOM 0 HE1 MET A 75 17.896 -3.561 0.857 1.00 1.43 H new ATOM 0 HE2 MET A 75 16.565 -2.396 1.050 1.00 1.43 H new ATOM 0 HE3 MET A 75 18.092 -1.884 0.293 1.00 1.43 H new ATOM 1208 N PRO A 76 20.364 1.069 -0.468 1.00 0.46 N ATOM 1209 CA PRO A 76 20.662 1.406 -1.846 1.00 0.49 C ATOM 1210 C PRO A 76 20.682 0.153 -2.737 1.00 0.48 C ATOM 1211 O PRO A 76 19.825 -0.721 -2.599 1.00 0.47 O ATOM 1212 CB PRO A 76 22.063 1.990 -1.682 1.00 0.59 C ATOM 1213 CG PRO A 76 22.688 1.188 -0.573 1.00 0.61 C ATOM 1214 CD PRO A 76 21.557 0.510 0.174 1.00 0.53 C ATOM 0 HA PRO A 76 19.940 2.068 -2.323 1.00 0.49 H new ATOM 0 HB2 PRO A 76 22.638 1.904 -2.604 1.00 0.59 H new ATOM 0 HB3 PRO A 76 22.023 3.050 -1.429 1.00 0.59 H new ATOM 0 HG2 PRO A 76 23.382 0.450 -0.975 1.00 0.61 H new ATOM 0 HG3 PRO A 76 23.259 1.833 0.095 1.00 0.61 H new ATOM 0 HD2 PRO A 76 21.599 -0.575 0.075 1.00 0.53 H new ATOM 0 HD3 PRO A 76 21.585 0.734 1.240 1.00 0.53 H new ATOM 1222 N GLU A 77 21.669 0.072 -3.632 1.00 0.49 N ATOM 1223 CA GLU A 77 21.841 -1.074 -4.531 1.00 0.49 C ATOM 1224 C GLU A 77 20.590 -1.422 -5.350 1.00 0.47 C ATOM 1225 O GLU A 77 20.030 -0.582 -6.065 1.00 0.47 O ATOM 1226 CB GLU A 77 22.301 -2.292 -3.727 1.00 0.51 C ATOM 1227 CG GLU A 77 23.697 -2.135 -3.154 1.00 0.60 C ATOM 1228 CD GLU A 77 24.786 -2.490 -4.146 1.00 0.75 C ATOM 1229 OE1 GLU A 77 24.541 -3.334 -5.037 1.00 1.25 O ATOM 1230 OE2 GLU A 77 25.894 -1.926 -4.043 1.00 1.38 O ATOM 0 H GLU A 77 22.373 0.800 -3.755 1.00 0.49 H new ATOM 0 HA GLU A 77 22.600 -0.784 -5.258 1.00 0.49 H new ATOM 0 HB2 GLU A 77 21.598 -2.469 -2.913 1.00 0.51 H new ATOM 0 HB3 GLU A 77 22.275 -3.174 -4.368 1.00 0.51 H new ATOM 0 HG2 GLU A 77 23.835 -1.105 -2.824 1.00 0.60 H new ATOM 0 HG3 GLU A 77 23.795 -2.768 -2.272 1.00 0.60 H new ATOM 1237 N LYS A 78 20.147 -2.665 -5.217 1.00 0.46 N ATOM 1238 CA LYS A 78 19.011 -3.161 -5.970 1.00 0.45 C ATOM 1239 C LYS A 78 18.125 -4.003 -5.076 1.00 0.42 C ATOM 1240 O LYS A 78 18.608 -4.646 -4.140 1.00 0.44 O ATOM 1241 CB LYS A 78 19.487 -3.985 -7.173 1.00 0.50 C ATOM 1242 CG LYS A 78 20.401 -5.148 -6.815 1.00 0.55 C ATOM 1243 CD LYS A 78 21.865 -4.771 -6.973 1.00 0.66 C ATOM 1244 CE LYS A 78 22.779 -5.856 -6.438 1.00 0.78 C ATOM 1245 NZ LYS A 78 24.206 -5.463 -6.529 1.00 0.90 N ATOM 0 H LYS A 78 20.564 -3.351 -4.588 1.00 0.46 H new ATOM 0 HA LYS A 78 18.436 -2.311 -6.338 1.00 0.45 H new ATOM 0 HB2 LYS A 78 18.615 -4.373 -7.700 1.00 0.50 H new ATOM 0 HB3 LYS A 78 20.011 -3.326 -7.865 1.00 0.50 H new ATOM 0 HG2 LYS A 78 20.212 -5.458 -5.787 1.00 0.55 H new ATOM 0 HG3 LYS A 78 20.173 -6.002 -7.453 1.00 0.55 H new ATOM 0 HD2 LYS A 78 22.085 -4.595 -8.026 1.00 0.66 H new ATOM 0 HD3 LYS A 78 22.060 -3.837 -6.446 1.00 0.66 H new ATOM 0 HE2 LYS A 78 22.525 -6.067 -5.399 1.00 0.78 H new ATOM 0 HE3 LYS A 78 22.618 -6.777 -6.999 1.00 0.78 H new ATOM 0 HZ1 LYS A 78 24.763 -6.018 -5.848 1.00 0.90 H new ATOM 0 HZ2 LYS A 78 24.555 -5.645 -7.492 1.00 0.90 H new ATOM 0 HZ3 LYS A 78 24.302 -4.451 -6.311 1.00 0.90 H new ATOM 1259 N ILE A 79 16.837 -4.022 -5.369 1.00 0.40 N ATOM 1260 CA ILE A 79 15.897 -4.776 -4.560 1.00 0.39 C ATOM 1261 C ILE A 79 14.848 -5.431 -5.436 1.00 0.36 C ATOM 1262 O ILE A 79 14.526 -4.935 -6.514 1.00 0.36 O ATOM 1263 CB ILE A 79 15.184 -3.887 -3.509 1.00 0.40 C ATOM 1264 CG1 ILE A 79 14.511 -2.687 -4.187 1.00 0.46 C ATOM 1265 CG2 ILE A 79 16.162 -3.425 -2.433 1.00 0.49 C ATOM 1266 CD1 ILE A 79 13.524 -1.958 -3.298 1.00 0.59 C ATOM 0 H ILE A 79 16.420 -3.527 -6.157 1.00 0.40 H new ATOM 0 HA ILE A 79 16.476 -5.535 -4.034 1.00 0.39 H new ATOM 0 HB ILE A 79 14.411 -4.484 -3.025 1.00 0.40 H new ATOM 0 HG12 ILE A 79 15.280 -1.986 -4.511 1.00 0.46 H new ATOM 0 HG13 ILE A 79 13.994 -3.030 -5.083 1.00 0.46 H new ATOM 0 HG21 ILE A 79 15.638 -2.803 -1.708 1.00 0.49 H new ATOM 0 HG22 ILE A 79 16.584 -4.294 -1.928 1.00 0.49 H new ATOM 0 HG23 ILE A 79 16.964 -2.848 -2.894 1.00 0.49 H new ATOM 0 HD11 ILE A 79 13.089 -1.122 -3.846 1.00 0.59 H new ATOM 0 HD12 ILE A 79 12.733 -2.644 -2.994 1.00 0.59 H new ATOM 0 HD13 ILE A 79 14.039 -1.583 -2.414 1.00 0.59 H new ATOM 1278 N SER A 80 14.333 -6.557 -4.980 1.00 0.35 N ATOM 1279 CA SER A 80 13.302 -7.260 -5.706 1.00 0.34 C ATOM 1280 C SER A 80 12.024 -6.426 -5.699 1.00 0.33 C ATOM 1281 O SER A 80 11.462 -6.152 -4.636 1.00 0.35 O ATOM 1282 CB SER A 80 13.064 -8.629 -5.072 1.00 0.36 C ATOM 1283 OG SER A 80 13.872 -8.799 -3.915 1.00 0.64 O ATOM 0 H SER A 80 14.615 -7.003 -4.107 1.00 0.35 H new ATOM 0 HA SER A 80 13.615 -7.414 -6.739 1.00 0.34 H new ATOM 0 HB2 SER A 80 12.012 -8.733 -4.805 1.00 0.36 H new ATOM 0 HB3 SER A 80 13.288 -9.413 -5.795 1.00 0.36 H new ATOM 0 HG SER A 80 13.702 -9.682 -3.524 1.00 0.64 H new ATOM 1289 N LYS A 81 11.578 -6.017 -6.878 1.00 0.31 N ATOM 1290 CA LYS A 81 10.383 -5.202 -7.003 1.00 0.31 C ATOM 1291 C LYS A 81 9.148 -6.062 -6.814 1.00 0.30 C ATOM 1292 O LYS A 81 8.988 -7.073 -7.495 1.00 0.30 O ATOM 1293 CB LYS A 81 10.340 -4.524 -8.374 1.00 0.32 C ATOM 1294 CG LYS A 81 10.293 -3.006 -8.306 1.00 0.45 C ATOM 1295 CD LYS A 81 11.577 -2.430 -7.732 1.00 0.60 C ATOM 1296 CE LYS A 81 11.572 -0.914 -7.794 1.00 0.81 C ATOM 1297 NZ LYS A 81 12.797 -0.327 -7.196 1.00 0.98 N ATOM 0 H LYS A 81 12.030 -6.239 -7.765 1.00 0.31 H new ATOM 0 HA LYS A 81 10.405 -4.431 -6.232 1.00 0.31 H new ATOM 0 HB2 LYS A 81 11.217 -4.826 -8.946 1.00 0.32 H new ATOM 0 HB3 LYS A 81 9.466 -4.881 -8.919 1.00 0.32 H new ATOM 0 HG2 LYS A 81 10.127 -2.602 -9.305 1.00 0.45 H new ATOM 0 HG3 LYS A 81 9.448 -2.695 -7.692 1.00 0.45 H new ATOM 0 HD2 LYS A 81 11.694 -2.754 -6.698 1.00 0.60 H new ATOM 0 HD3 LYS A 81 12.432 -2.817 -8.286 1.00 0.60 H new ATOM 0 HE2 LYS A 81 11.487 -0.594 -8.833 1.00 0.81 H new ATOM 0 HE3 LYS A 81 10.695 -0.533 -7.271 1.00 0.81 H new ATOM 0 HZ1 LYS A 81 12.722 0.710 -7.198 1.00 0.98 H new ATOM 0 HZ2 LYS A 81 12.902 -0.665 -6.218 1.00 0.98 H new ATOM 0 HZ3 LYS A 81 13.627 -0.615 -7.752 1.00 0.98 H new ATOM 1311 N PRO A 82 8.273 -5.693 -5.875 1.00 0.32 N ATOM 1312 CA PRO A 82 7.058 -6.437 -5.605 1.00 0.33 C ATOM 1313 C PRO A 82 5.870 -5.949 -6.432 1.00 0.31 C ATOM 1314 O PRO A 82 5.632 -4.746 -6.565 1.00 0.34 O ATOM 1315 CB PRO A 82 6.844 -6.172 -4.118 1.00 0.38 C ATOM 1316 CG PRO A 82 7.410 -4.811 -3.873 1.00 0.48 C ATOM 1317 CD PRO A 82 8.403 -4.531 -4.979 1.00 0.36 C ATOM 0 HA PRO A 82 7.142 -7.492 -5.864 1.00 0.33 H new ATOM 0 HB2 PRO A 82 5.786 -6.210 -3.860 1.00 0.38 H new ATOM 0 HB3 PRO A 82 7.347 -6.923 -3.509 1.00 0.38 H new ATOM 0 HG2 PRO A 82 6.619 -4.061 -3.868 1.00 0.48 H new ATOM 0 HG3 PRO A 82 7.897 -4.767 -2.899 1.00 0.48 H new ATOM 0 HD2 PRO A 82 8.172 -3.600 -5.497 1.00 0.36 H new ATOM 0 HD3 PRO A 82 9.417 -4.437 -4.591 1.00 0.36 H new ATOM 1325 N PHE A 83 5.126 -6.896 -6.982 1.00 0.30 N ATOM 1326 CA PHE A 83 3.980 -6.581 -7.822 1.00 0.29 C ATOM 1327 C PHE A 83 2.664 -6.795 -7.090 1.00 0.28 C ATOM 1328 O PHE A 83 2.234 -7.924 -6.861 1.00 0.27 O ATOM 1329 CB PHE A 83 4.027 -7.403 -9.113 1.00 0.30 C ATOM 1330 CG PHE A 83 5.125 -6.955 -10.030 1.00 0.33 C ATOM 1331 CD1 PHE A 83 6.441 -7.071 -9.633 1.00 0.39 C ATOM 1332 CD2 PHE A 83 4.846 -6.400 -11.266 1.00 0.36 C ATOM 1333 CE1 PHE A 83 7.464 -6.646 -10.439 1.00 0.43 C ATOM 1334 CE2 PHE A 83 5.870 -5.968 -12.089 1.00 0.40 C ATOM 1335 CZ PHE A 83 7.184 -6.090 -11.673 1.00 0.42 C ATOM 0 H PHE A 83 5.296 -7.894 -6.861 1.00 0.30 H new ATOM 0 HA PHE A 83 4.036 -5.523 -8.077 1.00 0.29 H new ATOM 0 HB2 PHE A 83 4.168 -8.455 -8.867 1.00 0.30 H new ATOM 0 HB3 PHE A 83 3.070 -7.322 -9.628 1.00 0.30 H new ATOM 0 HD1 PHE A 83 6.669 -7.504 -8.670 1.00 0.39 H new ATOM 0 HD2 PHE A 83 3.821 -6.303 -11.591 1.00 0.36 H new ATOM 0 HE1 PHE A 83 8.488 -6.745 -10.111 1.00 0.43 H new ATOM 0 HE2 PHE A 83 5.645 -5.537 -13.053 1.00 0.40 H new ATOM 0 HZ PHE A 83 7.988 -5.752 -12.310 1.00 0.42 H new ATOM 1345 N VAL A 84 2.069 -5.675 -6.712 1.00 0.27 N ATOM 1346 CA VAL A 84 0.786 -5.662 -6.011 1.00 0.27 C ATOM 1347 C VAL A 84 -0.349 -5.971 -6.990 1.00 0.28 C ATOM 1348 O VAL A 84 -0.834 -5.090 -7.699 1.00 0.30 O ATOM 1349 CB VAL A 84 0.523 -4.272 -5.327 1.00 0.28 C ATOM 1350 CG1 VAL A 84 -0.885 -4.179 -4.675 1.00 0.29 C ATOM 1351 CG2 VAL A 84 1.616 -3.944 -4.289 1.00 0.28 C ATOM 0 H VAL A 84 2.458 -4.747 -6.880 1.00 0.27 H new ATOM 0 HA VAL A 84 0.822 -6.427 -5.235 1.00 0.27 H new ATOM 0 HB VAL A 84 0.559 -3.529 -6.124 1.00 0.28 H new ATOM 0 HG11 VAL A 84 -1.010 -3.197 -4.218 1.00 0.29 H new ATOM 0 HG12 VAL A 84 -1.650 -4.324 -5.438 1.00 0.29 H new ATOM 0 HG13 VAL A 84 -0.984 -4.950 -3.911 1.00 0.29 H new ATOM 0 HG21 VAL A 84 1.406 -2.976 -3.833 1.00 0.28 H new ATOM 0 HG22 VAL A 84 1.628 -4.714 -3.517 1.00 0.28 H new ATOM 0 HG23 VAL A 84 2.588 -3.910 -4.782 1.00 0.28 H new ATOM 1361 N LYS A 85 -0.750 -7.232 -7.039 1.00 0.28 N ATOM 1362 CA LYS A 85 -1.825 -7.656 -7.921 1.00 0.29 C ATOM 1363 C LYS A 85 -3.125 -7.812 -7.125 1.00 0.28 C ATOM 1364 O LYS A 85 -3.314 -8.799 -6.412 1.00 0.28 O ATOM 1365 CB LYS A 85 -1.452 -8.972 -8.623 1.00 0.30 C ATOM 1366 CG LYS A 85 -2.275 -9.270 -9.871 1.00 0.33 C ATOM 1367 CD LYS A 85 -3.688 -9.702 -9.514 1.00 0.34 C ATOM 1368 CE LYS A 85 -4.498 -10.064 -10.741 1.00 0.38 C ATOM 1369 NZ LYS A 85 -5.934 -10.262 -10.412 1.00 0.40 N ATOM 0 H LYS A 85 -0.346 -7.981 -6.477 1.00 0.28 H new ATOM 0 HA LYS A 85 -1.978 -6.895 -8.686 1.00 0.29 H new ATOM 0 HB2 LYS A 85 -0.397 -8.939 -8.896 1.00 0.30 H new ATOM 0 HB3 LYS A 85 -1.572 -9.794 -7.917 1.00 0.30 H new ATOM 0 HG2 LYS A 85 -2.313 -8.383 -10.504 1.00 0.33 H new ATOM 0 HG3 LYS A 85 -1.789 -10.055 -10.451 1.00 0.33 H new ATOM 0 HD2 LYS A 85 -3.646 -10.559 -8.842 1.00 0.34 H new ATOM 0 HD3 LYS A 85 -4.188 -8.897 -8.974 1.00 0.34 H new ATOM 0 HE2 LYS A 85 -4.401 -9.275 -11.487 1.00 0.38 H new ATOM 0 HE3 LYS A 85 -4.097 -10.975 -11.186 1.00 0.38 H new ATOM 0 HZ1 LYS A 85 -6.507 -10.138 -11.271 1.00 0.40 H new ATOM 0 HZ2 LYS A 85 -6.075 -11.222 -10.037 1.00 0.40 H new ATOM 0 HZ3 LYS A 85 -6.226 -9.565 -9.697 1.00 0.40 H new ATOM 1383 N LYS A 86 -4.006 -6.822 -7.256 1.00 0.29 N ATOM 1384 CA LYS A 86 -5.303 -6.812 -6.574 1.00 0.29 C ATOM 1385 C LYS A 86 -6.137 -8.034 -6.968 1.00 0.28 C ATOM 1386 O LYS A 86 -6.664 -8.082 -8.080 1.00 0.29 O ATOM 1387 CB LYS A 86 -6.072 -5.535 -6.957 1.00 0.33 C ATOM 1388 CG LYS A 86 -5.469 -4.246 -6.404 1.00 0.53 C ATOM 1389 CD LYS A 86 -5.897 -3.029 -7.205 1.00 0.84 C ATOM 1390 CE LYS A 86 -5.624 -1.743 -6.437 1.00 0.94 C ATOM 1391 NZ LYS A 86 -6.523 -1.581 -5.256 1.00 0.56 N ATOM 0 H LYS A 86 -3.842 -6.001 -7.839 1.00 0.29 H new ATOM 0 HA LYS A 86 -5.127 -6.839 -5.499 1.00 0.29 H new ATOM 0 HB2 LYS A 86 -6.116 -5.464 -8.044 1.00 0.33 H new ATOM 0 HB3 LYS A 86 -7.099 -5.623 -6.602 1.00 0.33 H new ATOM 0 HG2 LYS A 86 -5.772 -4.121 -5.364 1.00 0.53 H new ATOM 0 HG3 LYS A 86 -4.382 -4.322 -6.412 1.00 0.53 H new ATOM 0 HD2 LYS A 86 -5.363 -3.009 -8.155 1.00 0.84 H new ATOM 0 HD3 LYS A 86 -6.960 -3.098 -7.438 1.00 0.84 H new ATOM 0 HE2 LYS A 86 -4.586 -1.736 -6.103 1.00 0.94 H new ATOM 0 HE3 LYS A 86 -5.750 -0.891 -7.105 1.00 0.94 H new ATOM 0 HZ1 LYS A 86 -6.507 -0.590 -4.941 1.00 0.56 H new ATOM 0 HZ2 LYS A 86 -7.494 -1.844 -5.520 1.00 0.56 H new ATOM 0 HZ3 LYS A 86 -6.196 -2.196 -4.484 1.00 0.56 H new ATOM 1405 N GLU A 87 -6.232 -9.044 -6.097 1.00 0.27 N ATOM 1406 CA GLU A 87 -7.036 -10.207 -6.432 1.00 0.28 C ATOM 1407 C GLU A 87 -8.498 -9.897 -6.154 1.00 0.28 C ATOM 1408 O GLU A 87 -9.284 -9.723 -7.084 1.00 0.30 O ATOM 1409 CB GLU A 87 -6.577 -11.449 -5.664 1.00 0.31 C ATOM 1410 CG GLU A 87 -6.828 -12.750 -6.412 1.00 0.35 C ATOM 1411 CD GLU A 87 -5.988 -12.869 -7.671 1.00 0.40 C ATOM 1412 OE1 GLU A 87 -6.348 -12.247 -8.697 1.00 0.86 O ATOM 1413 OE2 GLU A 87 -4.963 -13.579 -7.641 1.00 0.86 O ATOM 0 H GLU A 87 -5.776 -9.076 -5.185 1.00 0.27 H new ATOM 0 HA GLU A 87 -6.910 -10.430 -7.491 1.00 0.28 H new ATOM 0 HB2 GLU A 87 -5.512 -11.361 -5.450 1.00 0.31 H new ATOM 0 HB3 GLU A 87 -7.093 -11.485 -4.705 1.00 0.31 H new ATOM 0 HG2 GLU A 87 -6.611 -13.591 -5.754 1.00 0.35 H new ATOM 0 HG3 GLU A 87 -7.884 -12.816 -6.676 1.00 0.35 H new ATOM 1420 N ARG A 88 -8.848 -9.804 -4.878 1.00 0.29 N ATOM 1421 CA ARG A 88 -10.215 -9.472 -4.497 1.00 0.29 C ATOM 1422 C ARG A 88 -10.341 -9.180 -3.012 1.00 0.30 C ATOM 1423 O ARG A 88 -10.192 -10.064 -2.173 1.00 0.37 O ATOM 1424 CB ARG A 88 -11.211 -10.578 -4.884 1.00 0.33 C ATOM 1425 CG ARG A 88 -12.548 -10.032 -5.397 1.00 0.34 C ATOM 1426 CD ARG A 88 -13.124 -8.966 -4.451 1.00 0.33 C ATOM 1427 NE ARG A 88 -14.489 -8.522 -4.787 1.00 0.37 N ATOM 1428 CZ ARG A 88 -15.609 -9.126 -4.370 1.00 0.50 C ATOM 1429 NH1 ARG A 88 -15.554 -10.165 -3.546 1.00 0.58 N ATOM 1430 NH2 ARG A 88 -16.796 -8.656 -4.747 1.00 0.67 N ATOM 0 H ARG A 88 -8.211 -9.952 -4.095 1.00 0.29 H new ATOM 0 HA ARG A 88 -10.463 -8.568 -5.054 1.00 0.29 H new ATOM 0 HB2 ARG A 88 -10.764 -11.208 -5.653 1.00 0.33 H new ATOM 0 HB3 ARG A 88 -11.394 -11.213 -4.017 1.00 0.33 H new ATOM 0 HG2 ARG A 88 -12.410 -9.602 -6.389 1.00 0.34 H new ATOM 0 HG3 ARG A 88 -13.260 -10.851 -5.501 1.00 0.34 H new ATOM 0 HD2 ARG A 88 -13.124 -9.362 -3.435 1.00 0.33 H new ATOM 0 HD3 ARG A 88 -12.463 -8.100 -4.455 1.00 0.33 H new ATOM 0 HE ARG A 88 -14.587 -7.697 -5.379 1.00 0.37 H new ATOM 0 HH11 ARG A 88 -14.651 -10.512 -3.223 1.00 0.58 H new ATOM 0 HH12 ARG A 88 -16.415 -10.616 -3.236 1.00 0.58 H new ATOM 0 HH21 ARG A 88 -16.851 -7.837 -5.353 1.00 0.67 H new ATOM 0 HH22 ARG A 88 -17.650 -9.115 -4.430 1.00 0.67 H new ATOM 1444 N ILE A 89 -10.598 -7.922 -2.707 1.00 0.27 N ATOM 1445 CA ILE A 89 -10.826 -7.497 -1.342 1.00 0.27 C ATOM 1446 C ILE A 89 -12.264 -7.847 -0.993 1.00 0.28 C ATOM 1447 O ILE A 89 -13.194 -7.409 -1.678 1.00 0.30 O ATOM 1448 CB ILE A 89 -10.608 -5.974 -1.180 1.00 0.28 C ATOM 1449 CG1 ILE A 89 -9.128 -5.625 -1.396 1.00 0.31 C ATOM 1450 CG2 ILE A 89 -11.085 -5.497 0.193 1.00 0.28 C ATOM 1451 CD1 ILE A 89 -8.830 -4.138 -1.361 1.00 0.42 C ATOM 0 H ILE A 89 -10.654 -7.171 -3.395 1.00 0.27 H new ATOM 0 HA ILE A 89 -10.121 -7.999 -0.679 1.00 0.27 H new ATOM 0 HB ILE A 89 -11.200 -5.458 -1.936 1.00 0.28 H new ATOM 0 HG12 ILE A 89 -8.533 -6.122 -0.630 1.00 0.31 H new ATOM 0 HG13 ILE A 89 -8.808 -6.026 -2.358 1.00 0.31 H new ATOM 0 HG21 ILE A 89 -10.921 -4.423 0.282 1.00 0.28 H new ATOM 0 HG22 ILE A 89 -12.148 -5.712 0.304 1.00 0.28 H new ATOM 0 HG23 ILE A 89 -10.527 -6.015 0.972 1.00 0.28 H new ATOM 0 HD11 ILE A 89 -7.764 -3.977 -1.522 1.00 0.42 H new ATOM 0 HD12 ILE A 89 -9.395 -3.635 -2.146 1.00 0.42 H new ATOM 0 HD13 ILE A 89 -9.116 -3.732 -0.391 1.00 0.42 H new ATOM 1463 N GLU A 90 -12.461 -8.619 0.060 1.00 0.28 N ATOM 1464 CA GLU A 90 -13.806 -9.028 0.433 1.00 0.31 C ATOM 1465 C GLU A 90 -14.457 -7.938 1.262 1.00 0.30 C ATOM 1466 O GLU A 90 -13.765 -7.072 1.797 1.00 0.29 O ATOM 1467 CB GLU A 90 -13.787 -10.357 1.192 1.00 0.35 C ATOM 1468 CG GLU A 90 -13.437 -11.548 0.313 1.00 0.45 C ATOM 1469 CD GLU A 90 -14.365 -11.663 -0.877 1.00 0.59 C ATOM 1470 OE1 GLU A 90 -15.592 -11.756 -0.668 1.00 0.77 O ATOM 1471 OE2 GLU A 90 -13.879 -11.654 -2.029 1.00 0.80 O ATOM 0 H GLU A 90 -11.720 -8.972 0.665 1.00 0.28 H new ATOM 0 HA GLU A 90 -14.392 -9.180 -0.474 1.00 0.31 H new ATOM 0 HB2 GLU A 90 -13.066 -10.292 2.007 1.00 0.35 H new ATOM 0 HB3 GLU A 90 -14.765 -10.523 1.644 1.00 0.35 H new ATOM 0 HG2 GLU A 90 -12.409 -11.452 -0.036 1.00 0.45 H new ATOM 0 HG3 GLU A 90 -13.489 -12.463 0.904 1.00 0.45 H new ATOM 1478 N LYS A 91 -15.771 -8.002 1.410 1.00 0.34 N ATOM 1479 CA LYS A 91 -16.496 -6.980 2.140 1.00 0.36 C ATOM 1480 C LYS A 91 -17.279 -7.594 3.295 1.00 0.39 C ATOM 1481 O LYS A 91 -17.474 -8.813 3.358 1.00 0.43 O ATOM 1482 CB LYS A 91 -17.479 -6.259 1.213 1.00 0.39 C ATOM 1483 CG LYS A 91 -16.899 -5.840 -0.129 1.00 0.36 C ATOM 1484 CD LYS A 91 -17.995 -5.334 -1.055 1.00 0.50 C ATOM 1485 CE LYS A 91 -17.442 -4.814 -2.373 1.00 0.48 C ATOM 1486 NZ LYS A 91 -16.698 -3.537 -2.207 1.00 0.82 N ATOM 0 H LYS A 91 -16.354 -8.750 1.034 1.00 0.34 H new ATOM 0 HA LYS A 91 -15.766 -6.271 2.531 1.00 0.36 H new ATOM 0 HB2 LYS A 91 -18.334 -6.911 1.036 1.00 0.39 H new ATOM 0 HB3 LYS A 91 -17.854 -5.372 1.724 1.00 0.39 H new ATOM 0 HG2 LYS A 91 -16.153 -5.060 0.020 1.00 0.36 H new ATOM 0 HG3 LYS A 91 -16.388 -6.686 -0.590 1.00 0.36 H new ATOM 0 HD2 LYS A 91 -18.702 -6.140 -1.253 1.00 0.50 H new ATOM 0 HD3 LYS A 91 -18.550 -4.539 -0.557 1.00 0.50 H new ATOM 0 HE2 LYS A 91 -16.781 -5.563 -2.808 1.00 0.48 H new ATOM 0 HE3 LYS A 91 -18.262 -4.666 -3.076 1.00 0.48 H new ATOM 0 HZ1 LYS A 91 -16.413 -3.177 -3.140 1.00 0.82 H new ATOM 0 HZ2 LYS A 91 -17.309 -2.838 -1.738 1.00 0.82 H new ATOM 0 HZ3 LYS A 91 -15.851 -3.702 -1.626 1.00 0.82 H new ATOM 1500 N LEU A 92 -17.709 -6.735 4.199 1.00 0.41 N ATOM 1501 CA LEU A 92 -18.507 -7.129 5.347 1.00 0.45 C ATOM 1502 C LEU A 92 -19.224 -5.896 5.878 1.00 0.46 C ATOM 1503 O LEU A 92 -18.621 -4.831 6.001 1.00 0.46 O ATOM 1504 CB LEU A 92 -17.628 -7.770 6.432 1.00 0.47 C ATOM 1505 CG LEU A 92 -18.358 -8.234 7.699 1.00 0.53 C ATOM 1506 CD1 LEU A 92 -19.481 -9.204 7.358 1.00 0.63 C ATOM 1507 CD2 LEU A 92 -17.374 -8.877 8.667 1.00 0.56 C ATOM 0 H LEU A 92 -17.513 -5.735 4.158 1.00 0.41 H new ATOM 0 HA LEU A 92 -19.240 -7.878 5.048 1.00 0.45 H new ATOM 0 HB2 LEU A 92 -17.115 -8.628 5.997 1.00 0.47 H new ATOM 0 HB3 LEU A 92 -16.860 -7.052 6.721 1.00 0.47 H new ATOM 0 HG LEU A 92 -18.802 -7.361 8.177 1.00 0.53 H new ATOM 0 HD11 LEU A 92 -19.982 -9.517 8.274 1.00 0.63 H new ATOM 0 HD12 LEU A 92 -20.199 -8.713 6.701 1.00 0.63 H new ATOM 0 HD13 LEU A 92 -19.067 -10.077 6.854 1.00 0.63 H new ATOM 0 HD21 LEU A 92 -17.904 -9.202 9.562 1.00 0.56 H new ATOM 0 HD22 LEU A 92 -16.905 -9.738 8.191 1.00 0.56 H new ATOM 0 HD23 LEU A 92 -16.608 -8.152 8.942 1.00 0.56 H new