USER MOD reduce.3.24.130724 H: found=0, std=0, add=681, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 683 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 16 HIS : no HE2:sc= -12.1! C(o=-11!,f=-8.5!) USER MOD Set 1.2: A 38 THR OG1 : rot 96:sc= 1.16 USER MOD Set 2.1: A 26 GLN : amide:sc= -0.14 X(o=0.56,f=0.58) USER MOD Set 2.2: A 30 LYS NZ :NH3+ -129:sc= 0.7 (180deg=-0.761) USER MOD Single : A 5 ASN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 14 ASN : amide:sc= -7.08! C(o=-7.1!,f=-6.9!) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0.0191 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 GLN : amide:sc= 0.234 K(o=0.23,f=-1.4) USER MOD Single : A 33 ASN : amide:sc= -2.95! C(o=-2.9!,f=-4.7!) USER MOD Single : A 36 SER OG : rot -70:sc= 1.22 USER MOD Single : A 39 LYS NZ :NH3+ -125:sc= 0 (180deg=-0.0352) USER MOD Single : A 41 ASN : amide:sc= -1.08! C(o=-1.1!,f=-7.2!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 HIS : no HE2:sc= -18.9! C(o=-19!,f=-15!) USER MOD Single : A 59 LYS NZ :NH3+ -135:sc= 0.679 (180deg=-1.97!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 ASN : amide:sc= -14.3! C(o=-14!,f=-20!) USER MOD Single : A 75 MET CE :methyl -124:sc= -0.0613 (180deg=-0.576) USER MOD Single : A 78 LYS NZ :NH3+ 164:sc= 0.848 (180deg=0.786) USER MOD Single : A 80 SER OG : rot 180:sc= -1.09 USER MOD Single : A 81 LYS NZ :NH3+ 161:sc= -2.63! (180deg=-3.91!) USER MOD Single : A 85 LYS NZ :NH3+ -128:sc=-0.00513 (180deg=-0.326) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 42 N ARG A 4 11.243 -3.166 -4.468 1.00 0.00 N ATOM 43 CA ARG A 4 10.753 -4.428 -3.835 1.00 0.00 C ATOM 44 C ARG A 4 9.569 -4.992 -4.631 1.00 0.00 C ATOM 45 O ARG A 4 8.607 -4.297 -4.894 1.00 0.00 O ATOM 46 CB ARG A 4 10.318 -4.024 -2.423 1.00 0.00 C ATOM 47 CG ARG A 4 11.554 -3.717 -1.570 1.00 0.00 C ATOM 48 CD ARG A 4 11.649 -2.206 -1.320 1.00 0.00 C ATOM 49 NE ARG A 4 13.111 -1.913 -1.278 1.00 0.00 N ATOM 50 CZ ARG A 4 13.585 -1.091 -0.383 1.00 0.00 C ATOM 51 NH1 ARG A 4 13.297 0.180 -0.459 1.00 0.00 N ATOM 52 NH2 ARG A 4 14.340 -1.540 0.584 1.00 0.00 N ATOM 0 HA ARG A 4 11.517 -5.205 -3.813 1.00 0.00 H new ATOM 0 HB2 ARG A 4 9.669 -3.149 -2.468 1.00 0.00 H new ATOM 0 HB3 ARG A 4 9.739 -4.827 -1.966 1.00 0.00 H new ATOM 0 HG2 ARG A 4 11.494 -4.249 -0.621 1.00 0.00 H new ATOM 0 HG3 ARG A 4 12.453 -4.069 -2.076 1.00 0.00 H new ATOM 0 HD2 ARG A 4 11.156 -1.643 -2.113 1.00 0.00 H new ATOM 0 HD3 ARG A 4 11.164 -1.930 -0.384 1.00 0.00 H new ATOM 0 HE ARG A 4 13.740 -2.355 -1.949 1.00 0.00 H new ATOM 0 HH11 ARG A 4 12.705 0.524 -1.215 1.00 0.00 H new ATOM 0 HH12 ARG A 4 13.664 0.829 0.237 1.00 0.00 H new ATOM 0 HH21 ARG A 4 14.560 -2.535 0.640 1.00 0.00 H new ATOM 0 HH22 ARG A 4 14.710 -0.896 1.283 1.00 0.00 H new ATOM 66 N ASN A 5 9.638 -6.244 -5.021 1.00 0.00 N ATOM 67 CA ASN A 5 8.522 -6.858 -5.814 1.00 0.00 C ATOM 68 C ASN A 5 7.316 -7.142 -4.915 1.00 0.00 C ATOM 69 O ASN A 5 7.464 -7.616 -3.804 1.00 0.00 O ATOM 70 CB ASN A 5 9.098 -8.170 -6.366 1.00 0.00 C ATOM 71 CG ASN A 5 8.045 -8.884 -7.222 1.00 0.00 C ATOM 72 OD1 ASN A 5 7.338 -8.257 -7.986 1.00 0.00 O ATOM 73 ND2 ASN A 5 7.915 -10.180 -7.134 1.00 0.00 N ATOM 0 H ASN A 5 10.420 -6.869 -4.824 1.00 0.00 H new ATOM 0 HA ASN A 5 8.175 -6.196 -6.607 1.00 0.00 H new ATOM 0 HB2 ASN A 5 9.986 -7.964 -6.963 1.00 0.00 H new ATOM 0 HB3 ASN A 5 9.409 -8.815 -5.544 1.00 0.00 H new ATOM 0 HD21 ASN A 5 7.222 -10.663 -7.705 1.00 0.00 H new ATOM 0 HD22 ASN A 5 8.507 -10.710 -6.494 1.00 0.00 H new ATOM 80 N PHE A 6 6.127 -6.852 -5.390 1.00 0.00 N ATOM 81 CA PHE A 6 4.904 -7.097 -4.564 1.00 0.00 C ATOM 82 C PHE A 6 3.720 -7.533 -5.445 1.00 0.00 C ATOM 83 O PHE A 6 3.634 -7.184 -6.610 1.00 0.00 O ATOM 84 CB PHE A 6 4.615 -5.757 -3.885 1.00 0.00 C ATOM 85 CG PHE A 6 5.457 -5.634 -2.634 1.00 0.00 C ATOM 86 CD1 PHE A 6 5.135 -6.388 -1.502 1.00 0.00 C ATOM 87 CD2 PHE A 6 6.555 -4.766 -2.603 1.00 0.00 C ATOM 88 CE1 PHE A 6 5.905 -6.275 -0.341 1.00 0.00 C ATOM 89 CE2 PHE A 6 7.327 -4.655 -1.440 1.00 0.00 C ATOM 90 CZ PHE A 6 7.000 -5.408 -0.308 1.00 0.00 C ATOM 0 H PHE A 6 5.952 -6.456 -6.314 1.00 0.00 H new ATOM 0 HA PHE A 6 5.053 -7.900 -3.842 1.00 0.00 H new ATOM 0 HB2 PHE A 6 4.836 -4.936 -4.567 1.00 0.00 H new ATOM 0 HB3 PHE A 6 3.557 -5.686 -3.633 1.00 0.00 H new ATOM 0 HD1 PHE A 6 4.289 -7.059 -1.524 1.00 0.00 H new ATOM 0 HD2 PHE A 6 6.807 -4.182 -3.476 1.00 0.00 H new ATOM 0 HE1 PHE A 6 5.653 -6.859 0.532 1.00 0.00 H new ATOM 0 HE2 PHE A 6 8.176 -3.987 -1.417 1.00 0.00 H new ATOM 0 HZ PHE A 6 7.593 -5.319 0.590 1.00 0.00 H new ATOM 100 N VAL A 7 2.819 -8.311 -4.890 1.00 0.00 N ATOM 101 CA VAL A 7 1.637 -8.812 -5.671 1.00 0.00 C ATOM 102 C VAL A 7 0.325 -8.173 -5.168 1.00 0.00 C ATOM 103 O VAL A 7 0.183 -7.886 -3.991 1.00 0.00 O ATOM 104 CB VAL A 7 1.632 -10.332 -5.425 1.00 0.00 C ATOM 105 CG1 VAL A 7 3.012 -10.913 -5.753 1.00 0.00 C ATOM 106 CG2 VAL A 7 1.312 -10.627 -3.952 1.00 0.00 C ATOM 0 H VAL A 7 2.851 -8.624 -3.920 1.00 0.00 H new ATOM 0 HA VAL A 7 1.707 -8.560 -6.729 1.00 0.00 H new ATOM 0 HB VAL A 7 0.874 -10.786 -6.063 1.00 0.00 H new ATOM 0 HG11 VAL A 7 3.005 -11.989 -5.578 1.00 0.00 H new ATOM 0 HG12 VAL A 7 3.250 -10.717 -6.799 1.00 0.00 H new ATOM 0 HG13 VAL A 7 3.764 -10.447 -5.116 1.00 0.00 H new ATOM 0 HG21 VAL A 7 1.311 -11.705 -3.789 1.00 0.00 H new ATOM 0 HG22 VAL A 7 2.067 -10.164 -3.316 1.00 0.00 H new ATOM 0 HG23 VAL A 7 0.331 -10.222 -3.705 1.00 0.00 H new ATOM 116 N LEU A 8 -0.628 -7.940 -6.054 1.00 0.00 N ATOM 117 CA LEU A 8 -1.926 -7.302 -5.634 1.00 0.00 C ATOM 118 C LEU A 8 -3.102 -7.721 -6.558 1.00 0.00 C ATOM 119 O LEU A 8 -2.938 -7.846 -7.759 1.00 0.00 O ATOM 120 CB LEU A 8 -1.695 -5.788 -5.804 1.00 0.00 C ATOM 121 CG LEU A 8 -0.591 -5.276 -4.873 1.00 0.00 C ATOM 122 CD1 LEU A 8 0.737 -5.191 -5.634 1.00 0.00 C ATOM 123 CD2 LEU A 8 -0.964 -3.877 -4.379 1.00 0.00 C ATOM 0 H LEU A 8 -0.561 -8.164 -7.047 1.00 0.00 H new ATOM 0 HA LEU A 8 -2.189 -7.600 -4.619 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -1.427 -5.575 -6.839 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -2.622 -5.253 -5.598 1.00 0.00 H new ATOM 0 HG LEU A 8 -0.485 -5.961 -4.032 1.00 0.00 H new ATOM 0 HD11 LEU A 8 1.517 -4.826 -4.965 1.00 0.00 H new ATOM 0 HD12 LEU A 8 1.009 -6.180 -6.003 1.00 0.00 H new ATOM 0 HD13 LEU A 8 0.631 -4.506 -6.475 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -0.183 -3.505 -3.716 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -1.066 -3.205 -5.231 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -1.909 -3.922 -3.838 1.00 0.00 H new ATOM 135 N ARG A 9 -4.303 -7.870 -6.011 1.00 0.00 N ATOM 136 CA ARG A 9 -5.506 -8.203 -6.868 1.00 0.00 C ATOM 137 C ARG A 9 -6.732 -7.307 -6.496 1.00 0.00 C ATOM 138 O ARG A 9 -7.505 -7.642 -5.629 1.00 0.00 O ATOM 139 CB ARG A 9 -5.811 -9.679 -6.575 1.00 0.00 C ATOM 140 CG ARG A 9 -5.972 -10.442 -7.896 1.00 0.00 C ATOM 141 CD ARG A 9 -7.049 -11.524 -7.744 1.00 0.00 C ATOM 142 NE ARG A 9 -8.339 -10.835 -8.043 1.00 0.00 N ATOM 143 CZ ARG A 9 -9.112 -11.270 -9.002 1.00 0.00 C ATOM 144 NH1 ARG A 9 -9.786 -12.375 -8.837 1.00 0.00 N ATOM 145 NH2 ARG A 9 -9.212 -10.595 -10.117 1.00 0.00 N ATOM 0 H ARG A 9 -4.499 -7.776 -5.014 1.00 0.00 H new ATOM 0 HA ARG A 9 -5.306 -8.024 -7.924 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -5.006 -10.117 -5.986 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -6.722 -9.762 -5.982 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -6.247 -9.752 -8.694 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -5.024 -10.898 -8.181 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -6.876 -12.352 -8.432 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -7.049 -11.941 -6.737 1.00 0.00 H new ATOM 0 HE ARG A 9 -8.618 -10.021 -7.496 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -9.708 -12.894 -7.963 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -10.391 -12.719 -9.582 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -8.687 -9.729 -10.238 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -9.815 -10.934 -10.866 1.00 0.00 H new ATOM 159 N ASP A 10 -6.891 -6.174 -7.160 1.00 0.00 N ATOM 160 CA ASP A 10 -8.015 -5.198 -6.905 1.00 0.00 C ATOM 161 C ASP A 10 -9.355 -5.748 -7.346 1.00 0.00 C ATOM 162 O ASP A 10 -9.546 -6.949 -7.424 1.00 0.00 O ATOM 163 CB ASP A 10 -7.706 -3.985 -7.779 1.00 0.00 C ATOM 164 CG ASP A 10 -8.127 -2.700 -7.077 1.00 0.00 C ATOM 165 OD1 ASP A 10 -7.646 -2.452 -5.992 1.00 0.00 O ATOM 166 OD2 ASP A 10 -8.893 -1.959 -7.662 1.00 0.00 O ATOM 0 H ASP A 10 -6.257 -5.875 -7.901 1.00 0.00 H new ATOM 0 HA ASP A 10 -8.079 -4.976 -5.840 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -6.639 -3.952 -8.002 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -8.228 -4.074 -8.732 1.00 0.00 H new ATOM 171 N GLU A 11 -10.313 -4.863 -7.564 1.00 0.00 N ATOM 172 CA GLU A 11 -11.683 -5.314 -7.935 1.00 0.00 C ATOM 173 C GLU A 11 -12.262 -5.904 -6.671 1.00 0.00 C ATOM 174 O GLU A 11 -12.741 -7.020 -6.610 1.00 0.00 O ATOM 175 CB GLU A 11 -11.544 -6.357 -9.060 1.00 0.00 C ATOM 176 CG GLU A 11 -11.991 -5.744 -10.388 1.00 0.00 C ATOM 177 CD GLU A 11 -10.936 -6.021 -11.458 1.00 0.00 C ATOM 178 OE1 GLU A 11 -10.871 -7.148 -11.923 1.00 0.00 O ATOM 179 OE2 GLU A 11 -10.207 -5.102 -11.790 1.00 0.00 O ATOM 0 H GLU A 11 -10.194 -3.852 -7.498 1.00 0.00 H new ATOM 0 HA GLU A 11 -12.333 -4.521 -8.304 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -10.509 -6.692 -9.133 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -12.148 -7.235 -8.832 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -12.950 -6.165 -10.690 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -12.136 -4.670 -10.274 1.00 0.00 H new ATOM 186 N ASP A 12 -12.179 -5.085 -5.650 1.00 0.00 N ATOM 187 CA ASP A 12 -12.664 -5.400 -4.304 1.00 0.00 C ATOM 188 C ASP A 12 -11.959 -6.605 -3.689 1.00 0.00 C ATOM 189 O ASP A 12 -12.349 -7.071 -2.637 1.00 0.00 O ATOM 190 CB ASP A 12 -14.112 -5.737 -4.498 1.00 0.00 C ATOM 191 CG ASP A 12 -14.952 -4.477 -4.764 1.00 0.00 C ATOM 192 OD1 ASP A 12 -14.498 -3.389 -4.443 1.00 0.00 O ATOM 193 OD2 ASP A 12 -16.048 -4.625 -5.281 1.00 0.00 O ATOM 0 H ASP A 12 -11.764 -4.156 -5.721 1.00 0.00 H new ATOM 0 HA ASP A 12 -12.483 -4.563 -3.629 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -14.217 -6.429 -5.334 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -14.490 -6.247 -3.612 1.00 0.00 H new ATOM 198 N GLY A 13 -10.944 -7.140 -4.310 1.00 0.00 N ATOM 199 CA GLY A 13 -10.283 -8.313 -3.683 1.00 0.00 C ATOM 200 C GLY A 13 -9.167 -7.820 -2.775 1.00 0.00 C ATOM 201 O GLY A 13 -9.279 -7.812 -1.567 1.00 0.00 O ATOM 0 H GLY A 13 -10.554 -6.826 -5.199 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -11.007 -8.893 -3.110 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -9.881 -8.974 -4.450 1.00 0.00 H new ATOM 205 N ASN A 14 -8.091 -7.412 -3.370 1.00 0.00 N ATOM 206 CA ASN A 14 -6.938 -6.889 -2.589 1.00 0.00 C ATOM 207 C ASN A 14 -6.531 -5.474 -3.065 1.00 0.00 C ATOM 208 O ASN A 14 -6.834 -4.487 -2.443 1.00 0.00 O ATOM 209 CB ASN A 14 -5.831 -7.924 -2.828 1.00 0.00 C ATOM 210 CG ASN A 14 -6.075 -9.172 -1.959 1.00 0.00 C ATOM 211 OD1 ASN A 14 -5.818 -10.279 -2.392 1.00 0.00 O ATOM 212 ND2 ASN A 14 -6.549 -9.050 -0.744 1.00 0.00 N ATOM 0 H ASN A 14 -7.955 -7.417 -4.381 1.00 0.00 H new ATOM 0 HA ASN A 14 -7.163 -6.769 -1.529 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -5.806 -8.204 -3.881 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -4.860 -7.490 -2.590 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -6.700 -9.879 -0.170 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -6.767 -8.126 -0.372 1.00 0.00 H new ATOM 219 N GLU A 15 -5.849 -5.409 -4.189 1.00 0.00 N ATOM 220 CA GLU A 15 -5.380 -4.109 -4.799 1.00 0.00 C ATOM 221 C GLU A 15 -4.876 -4.424 -6.201 1.00 0.00 C ATOM 222 O GLU A 15 -4.423 -5.510 -6.422 1.00 0.00 O ATOM 223 CB GLU A 15 -4.199 -3.638 -3.932 1.00 0.00 C ATOM 224 CG GLU A 15 -4.640 -2.601 -2.893 1.00 0.00 C ATOM 225 CD GLU A 15 -3.398 -1.931 -2.283 1.00 0.00 C ATOM 226 OE1 GLU A 15 -2.574 -1.438 -3.043 1.00 0.00 O ATOM 227 OE2 GLU A 15 -3.287 -1.926 -1.068 1.00 0.00 O ATOM 0 H GLU A 15 -5.587 -6.233 -4.730 1.00 0.00 H new ATOM 0 HA GLU A 15 -6.163 -3.352 -4.845 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -3.754 -4.495 -3.426 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -3.427 -3.209 -4.570 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -5.279 -1.851 -3.359 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -5.229 -3.081 -2.111 1.00 0.00 H new ATOM 234 N HIS A 16 -4.914 -3.548 -7.169 1.00 0.00 N ATOM 235 CA HIS A 16 -4.373 -4.033 -8.489 1.00 0.00 C ATOM 236 C HIS A 16 -2.960 -3.589 -8.747 1.00 0.00 C ATOM 237 O HIS A 16 -2.636 -2.430 -8.832 1.00 0.00 O ATOM 238 CB HIS A 16 -5.292 -3.687 -9.657 1.00 0.00 C ATOM 239 CG HIS A 16 -5.780 -2.251 -9.705 1.00 0.00 C ATOM 240 ND1 HIS A 16 -5.797 -1.553 -10.922 1.00 0.00 N ATOM 241 CD2 HIS A 16 -6.311 -1.373 -8.769 1.00 0.00 C ATOM 242 CE1 HIS A 16 -6.318 -0.334 -10.695 1.00 0.00 C ATOM 243 NE2 HIS A 16 -6.632 -0.197 -9.424 1.00 0.00 N ATOM 0 H HIS A 16 -5.264 -2.591 -7.125 1.00 0.00 H new ATOM 0 HA HIS A 16 -4.345 -5.120 -8.410 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -4.766 -3.904 -10.587 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -6.160 -4.346 -9.621 1.00 0.00 H new ATOM 0 HD1 HIS A 16 -5.471 -1.908 -11.821 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -6.449 -1.573 -7.717 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -6.459 0.426 -11.450 1.00 0.00 H new ATOM 252 N GLY A 17 -2.116 -4.549 -8.876 1.00 0.00 N ATOM 253 CA GLY A 17 -0.694 -4.238 -9.143 1.00 0.00 C ATOM 254 C GLY A 17 0.181 -5.491 -9.150 1.00 0.00 C ATOM 255 O GLY A 17 0.165 -6.282 -8.227 1.00 0.00 O ATOM 0 H GLY A 17 -2.342 -5.541 -8.809 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -0.609 -3.733 -10.105 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -0.327 -3.545 -8.386 1.00 0.00 H new ATOM 259 N VAL A 18 1.003 -5.628 -10.146 1.00 0.00 N ATOM 260 CA VAL A 18 1.963 -6.764 -10.190 1.00 0.00 C ATOM 261 C VAL A 18 3.298 -6.186 -10.647 1.00 0.00 C ATOM 262 O VAL A 18 3.614 -6.143 -11.821 1.00 0.00 O ATOM 263 CB VAL A 18 1.470 -7.770 -11.216 1.00 0.00 C ATOM 264 CG1 VAL A 18 1.346 -9.149 -10.565 1.00 0.00 C ATOM 265 CG2 VAL A 18 0.112 -7.365 -11.808 1.00 0.00 C ATOM 0 H VAL A 18 1.053 -4.994 -10.943 1.00 0.00 H new ATOM 0 HA VAL A 18 2.059 -7.256 -9.222 1.00 0.00 H new ATOM 0 HB VAL A 18 2.197 -7.798 -12.028 1.00 0.00 H new ATOM 0 HG11 VAL A 18 0.992 -9.869 -11.303 1.00 0.00 H new ATOM 0 HG12 VAL A 18 2.320 -9.463 -10.189 1.00 0.00 H new ATOM 0 HG13 VAL A 18 0.637 -9.099 -9.738 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -0.204 -8.111 -12.537 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -0.628 -7.301 -11.010 1.00 0.00 H new ATOM 0 HG23 VAL A 18 0.203 -6.395 -12.297 1.00 0.00 H new ATOM 275 N PHE A 19 4.052 -5.712 -9.716 1.00 0.00 N ATOM 276 CA PHE A 19 5.374 -5.076 -10.031 1.00 0.00 C ATOM 277 C PHE A 19 6.150 -4.765 -8.740 1.00 0.00 C ATOM 278 O PHE A 19 5.761 -5.162 -7.654 1.00 0.00 O ATOM 279 CB PHE A 19 5.088 -3.771 -10.821 1.00 0.00 C ATOM 280 CG PHE A 19 3.694 -3.219 -10.559 1.00 0.00 C ATOM 281 CD1 PHE A 19 3.143 -3.243 -9.271 1.00 0.00 C ATOM 282 CD2 PHE A 19 2.960 -2.666 -11.619 1.00 0.00 C ATOM 283 CE1 PHE A 19 1.867 -2.721 -9.045 1.00 0.00 C ATOM 284 CE2 PHE A 19 1.682 -2.142 -11.390 1.00 0.00 C ATOM 285 CZ PHE A 19 1.135 -2.170 -10.102 1.00 0.00 C ATOM 0 H PHE A 19 3.817 -5.731 -8.724 1.00 0.00 H new ATOM 0 HA PHE A 19 5.988 -5.754 -10.623 1.00 0.00 H new ATOM 0 HB2 PHE A 19 5.829 -3.018 -10.551 1.00 0.00 H new ATOM 0 HB3 PHE A 19 5.203 -3.964 -11.888 1.00 0.00 H new ATOM 0 HD1 PHE A 19 3.706 -3.666 -8.452 1.00 0.00 H new ATOM 0 HD2 PHE A 19 3.381 -2.644 -12.613 1.00 0.00 H new ATOM 0 HE1 PHE A 19 1.445 -2.743 -8.051 1.00 0.00 H new ATOM 0 HE2 PHE A 19 1.118 -1.716 -12.207 1.00 0.00 H new ATOM 0 HZ PHE A 19 0.149 -1.767 -9.924 1.00 0.00 H new ATOM 295 N THR A 20 7.254 -4.066 -8.859 1.00 0.00 N ATOM 296 CA THR A 20 8.080 -3.732 -7.658 1.00 0.00 C ATOM 297 C THR A 20 7.965 -2.237 -7.283 1.00 0.00 C ATOM 298 O THR A 20 7.624 -1.402 -8.100 1.00 0.00 O ATOM 299 CB THR A 20 9.516 -4.063 -8.086 1.00 0.00 C ATOM 300 OG1 THR A 20 9.835 -3.334 -9.264 1.00 0.00 O ATOM 301 CG2 THR A 20 9.652 -5.559 -8.378 1.00 0.00 C ATOM 0 H THR A 20 7.619 -3.711 -9.743 1.00 0.00 H new ATOM 0 HA THR A 20 7.756 -4.286 -6.777 1.00 0.00 H new ATOM 0 HB THR A 20 10.195 -3.791 -7.278 1.00 0.00 H new ATOM 0 HG1 THR A 20 10.752 -3.542 -9.539 1.00 0.00 H new ATOM 0 HG21 THR A 20 10.676 -5.779 -8.680 1.00 0.00 H new ATOM 0 HG22 THR A 20 9.408 -6.128 -7.481 1.00 0.00 H new ATOM 0 HG23 THR A 20 8.969 -5.837 -9.181 1.00 0.00 H new ATOM 309 N GLY A 21 8.265 -1.898 -6.046 1.00 0.00 N ATOM 310 CA GLY A 21 8.199 -0.466 -5.600 1.00 0.00 C ATOM 311 C GLY A 21 9.501 -0.104 -4.878 1.00 0.00 C ATOM 312 O GLY A 21 9.944 -0.818 -3.995 1.00 0.00 O ATOM 0 H GLY A 21 8.554 -2.557 -5.323 1.00 0.00 H new ATOM 0 HA2 GLY A 21 8.051 0.189 -6.459 1.00 0.00 H new ATOM 0 HA3 GLY A 21 7.347 -0.318 -4.936 1.00 0.00 H new ATOM 316 N LYS A 22 10.115 1.000 -5.235 1.00 0.00 N ATOM 317 CA LYS A 22 11.386 1.411 -4.551 1.00 0.00 C ATOM 318 C LYS A 22 11.098 1.621 -3.060 1.00 0.00 C ATOM 319 O LYS A 22 11.797 1.114 -2.197 1.00 0.00 O ATOM 320 CB LYS A 22 11.797 2.730 -5.219 1.00 0.00 C ATOM 321 CG LYS A 22 13.324 2.873 -5.199 1.00 0.00 C ATOM 322 CD LYS A 22 13.787 3.671 -6.426 1.00 0.00 C ATOM 323 CE LYS A 22 13.893 5.160 -6.067 1.00 0.00 C ATOM 324 NZ LYS A 22 14.034 5.873 -7.372 1.00 0.00 N ATOM 0 H LYS A 22 9.793 1.633 -5.967 1.00 0.00 H new ATOM 0 HA LYS A 22 12.177 0.666 -4.635 1.00 0.00 H new ATOM 0 HB2 LYS A 22 11.434 2.756 -6.247 1.00 0.00 H new ATOM 0 HB3 LYS A 22 11.338 3.570 -4.698 1.00 0.00 H new ATOM 0 HG2 LYS A 22 13.639 3.377 -4.286 1.00 0.00 H new ATOM 0 HG3 LYS A 22 13.791 1.888 -5.197 1.00 0.00 H new ATOM 0 HD2 LYS A 22 14.753 3.300 -6.769 1.00 0.00 H new ATOM 0 HD3 LYS A 22 13.083 3.534 -7.247 1.00 0.00 H new ATOM 0 HE2 LYS A 22 13.008 5.498 -5.528 1.00 0.00 H new ATOM 0 HE3 LYS A 22 14.751 5.349 -5.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 14.112 6.896 -7.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 14.889 5.537 -7.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 13.200 5.683 -7.964 1.00 0.00 H new ATOM 338 N GLN A 23 10.050 2.342 -2.766 1.00 0.00 N ATOM 339 CA GLN A 23 9.656 2.581 -1.353 1.00 0.00 C ATOM 340 C GLN A 23 8.292 1.926 -1.126 1.00 0.00 C ATOM 341 O GLN A 23 7.318 2.336 -1.723 1.00 0.00 O ATOM 342 CB GLN A 23 9.553 4.101 -1.215 1.00 0.00 C ATOM 343 CG GLN A 23 10.837 4.654 -0.593 1.00 0.00 C ATOM 344 CD GLN A 23 10.528 5.193 0.803 1.00 0.00 C ATOM 345 OE1 GLN A 23 10.411 4.434 1.744 1.00 0.00 O ATOM 346 NE2 GLN A 23 10.373 6.475 0.973 1.00 0.00 N ATOM 0 H GLN A 23 9.443 2.781 -3.458 1.00 0.00 H new ATOM 0 HA GLN A 23 10.360 2.170 -0.630 1.00 0.00 H new ATOM 0 HB2 GLN A 23 9.388 4.554 -2.193 1.00 0.00 H new ATOM 0 HB3 GLN A 23 8.696 4.362 -0.594 1.00 0.00 H new ATOM 0 HG2 GLN A 23 11.593 3.871 -0.534 1.00 0.00 H new ATOM 0 HG3 GLN A 23 11.247 5.447 -1.219 1.00 0.00 H new ATOM 0 HE21 GLN A 23 10.472 7.110 0.181 1.00 0.00 H new ATOM 0 HE22 GLN A 23 10.153 6.844 1.898 1.00 0.00 H new ATOM 355 N PRO A 24 8.261 0.915 -0.295 1.00 0.00 N ATOM 356 CA PRO A 24 6.987 0.191 -0.035 1.00 0.00 C ATOM 357 C PRO A 24 5.971 1.107 0.653 1.00 0.00 C ATOM 358 O PRO A 24 4.786 1.032 0.396 1.00 0.00 O ATOM 359 CB PRO A 24 7.414 -0.972 0.862 1.00 0.00 C ATOM 360 CG PRO A 24 8.687 -0.516 1.498 1.00 0.00 C ATOM 361 CD PRO A 24 9.375 0.361 0.484 1.00 0.00 C ATOM 0 HA PRO A 24 6.490 -0.151 -0.943 1.00 0.00 H new ATOM 0 HB2 PRO A 24 6.654 -1.193 1.612 1.00 0.00 H new ATOM 0 HB3 PRO A 24 7.565 -1.883 0.283 1.00 0.00 H new ATOM 0 HG2 PRO A 24 8.487 0.035 2.417 1.00 0.00 H new ATOM 0 HG3 PRO A 24 9.314 -1.366 1.766 1.00 0.00 H new ATOM 0 HD2 PRO A 24 9.961 1.146 0.963 1.00 0.00 H new ATOM 0 HD3 PRO A 24 10.060 -0.210 -0.143 1.00 0.00 H new ATOM 369 N ARG A 25 6.422 1.976 1.515 1.00 0.00 N ATOM 370 CA ARG A 25 5.475 2.896 2.199 1.00 0.00 C ATOM 371 C ARG A 25 5.179 4.105 1.298 1.00 0.00 C ATOM 372 O ARG A 25 4.057 4.316 0.882 1.00 0.00 O ATOM 373 CB ARG A 25 6.190 3.322 3.486 1.00 0.00 C ATOM 374 CG ARG A 25 5.631 2.524 4.673 1.00 0.00 C ATOM 375 CD ARG A 25 6.785 2.023 5.550 1.00 0.00 C ATOM 376 NE ARG A 25 6.333 2.243 6.957 1.00 0.00 N ATOM 377 CZ ARG A 25 6.123 1.219 7.744 1.00 0.00 C ATOM 378 NH1 ARG A 25 7.134 0.512 8.182 1.00 0.00 N ATOM 379 NH2 ARG A 25 4.903 0.901 8.085 1.00 0.00 N ATOM 0 H ARG A 25 7.402 2.088 1.774 1.00 0.00 H new ATOM 0 HA ARG A 25 4.516 2.426 2.417 1.00 0.00 H new ATOM 0 HB2 ARG A 25 7.262 3.151 3.392 1.00 0.00 H new ATOM 0 HB3 ARG A 25 6.051 4.390 3.655 1.00 0.00 H new ATOM 0 HG2 ARG A 25 4.960 3.151 5.261 1.00 0.00 H new ATOM 0 HG3 ARG A 25 5.044 1.680 4.312 1.00 0.00 H new ATOM 0 HD2 ARG A 25 6.992 0.969 5.363 1.00 0.00 H new ATOM 0 HD3 ARG A 25 7.704 2.571 5.342 1.00 0.00 H new ATOM 0 HE ARG A 25 6.188 3.191 7.304 1.00 0.00 H new ATOM 0 HH11 ARG A 25 8.085 0.759 7.910 1.00 0.00 H new ATOM 0 HH12 ARG A 25 6.970 -0.286 8.796 1.00 0.00 H new ATOM 0 HH21 ARG A 25 4.117 1.450 7.738 1.00 0.00 H new ATOM 0 HH22 ARG A 25 4.736 0.103 8.698 1.00 0.00 H new ATOM 393 N GLN A 26 6.177 4.897 0.988 1.00 0.00 N ATOM 394 CA GLN A 26 5.955 6.102 0.116 1.00 0.00 C ATOM 395 C GLN A 26 5.262 5.735 -1.199 1.00 0.00 C ATOM 396 O GLN A 26 4.383 6.448 -1.644 1.00 0.00 O ATOM 397 CB GLN A 26 7.360 6.675 -0.134 1.00 0.00 C ATOM 398 CG GLN A 26 7.337 7.667 -1.304 1.00 0.00 C ATOM 399 CD GLN A 26 8.481 7.344 -2.269 1.00 0.00 C ATOM 400 OE1 GLN A 26 9.597 7.773 -2.069 1.00 0.00 O ATOM 401 NE2 GLN A 26 8.249 6.599 -3.315 1.00 0.00 N ATOM 0 H GLN A 26 7.139 4.764 1.300 1.00 0.00 H new ATOM 0 HA GLN A 26 5.296 6.826 0.594 1.00 0.00 H new ATOM 0 HB2 GLN A 26 7.721 7.173 0.766 1.00 0.00 H new ATOM 0 HB3 GLN A 26 8.056 5.865 -0.351 1.00 0.00 H new ATOM 0 HG2 GLN A 26 6.381 7.610 -1.824 1.00 0.00 H new ATOM 0 HG3 GLN A 26 7.437 8.687 -0.932 1.00 0.00 H new ATOM 0 HE21 GLN A 26 7.311 6.237 -3.485 1.00 0.00 H new ATOM 0 HE22 GLN A 26 9.006 6.379 -3.962 1.00 0.00 H new ATOM 410 N ALA A 27 5.632 4.657 -1.839 1.00 0.00 N ATOM 411 CA ALA A 27 4.954 4.316 -3.113 1.00 0.00 C ATOM 412 C ALA A 27 3.545 3.765 -2.840 1.00 0.00 C ATOM 413 O ALA A 27 2.724 3.708 -3.728 1.00 0.00 O ATOM 414 CB ALA A 27 5.853 3.278 -3.772 1.00 0.00 C ATOM 0 H ALA A 27 6.362 4.011 -1.538 1.00 0.00 H new ATOM 0 HA ALA A 27 4.814 5.183 -3.759 1.00 0.00 H new ATOM 0 HB1 ALA A 27 5.419 2.973 -4.724 1.00 0.00 H new ATOM 0 HB2 ALA A 27 6.840 3.708 -3.944 1.00 0.00 H new ATOM 0 HB3 ALA A 27 5.944 2.409 -3.120 1.00 0.00 H new ATOM 420 N ALA A 28 3.245 3.373 -1.617 1.00 0.00 N ATOM 421 CA ALA A 28 1.876 2.843 -1.320 1.00 0.00 C ATOM 422 C ALA A 28 0.820 3.926 -1.538 1.00 0.00 C ATOM 423 O ALA A 28 -0.157 3.723 -2.234 1.00 0.00 O ATOM 424 CB ALA A 28 1.903 2.432 0.155 1.00 0.00 C ATOM 0 H ALA A 28 3.884 3.398 -0.823 1.00 0.00 H new ATOM 0 HA ALA A 28 1.623 2.008 -1.974 1.00 0.00 H new ATOM 0 HB1 ALA A 28 0.929 2.034 0.440 1.00 0.00 H new ATOM 0 HB2 ALA A 28 2.665 1.668 0.306 1.00 0.00 H new ATOM 0 HB3 ALA A 28 2.134 3.301 0.771 1.00 0.00 H new ATOM 430 N LEU A 29 1.013 5.072 -0.940 1.00 0.00 N ATOM 431 CA LEU A 29 0.021 6.179 -1.095 1.00 0.00 C ATOM 432 C LEU A 29 -0.065 6.586 -2.563 1.00 0.00 C ATOM 433 O LEU A 29 -1.131 6.704 -3.127 1.00 0.00 O ATOM 434 CB LEU A 29 0.554 7.364 -0.262 1.00 0.00 C ATOM 435 CG LEU A 29 0.919 6.965 1.186 1.00 0.00 C ATOM 436 CD1 LEU A 29 0.258 5.647 1.611 1.00 0.00 C ATOM 437 CD2 LEU A 29 2.438 6.833 1.303 1.00 0.00 C ATOM 0 H LEU A 29 1.816 5.290 -0.350 1.00 0.00 H new ATOM 0 HA LEU A 29 -0.971 5.873 -0.763 1.00 0.00 H new ATOM 0 HB2 LEU A 29 1.435 7.779 -0.752 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.199 8.152 -0.238 1.00 0.00 H new ATOM 0 HG LEU A 29 0.548 7.746 1.849 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.545 5.410 2.635 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -0.826 5.748 1.552 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.584 4.846 0.948 1.00 0.00 H new ATOM 0 HD21 LEU A 29 2.701 6.552 2.323 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.791 6.067 0.613 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.906 7.786 1.057 1.00 0.00 H new ATOM 449 N LYS A 30 1.056 6.832 -3.168 1.00 0.00 N ATOM 450 CA LYS A 30 1.050 7.271 -4.610 1.00 0.00 C ATOM 451 C LYS A 30 0.617 6.147 -5.586 1.00 0.00 C ATOM 452 O LYS A 30 -0.048 6.407 -6.582 1.00 0.00 O ATOM 453 CB LYS A 30 2.493 7.696 -4.895 1.00 0.00 C ATOM 454 CG LYS A 30 2.829 8.943 -4.072 1.00 0.00 C ATOM 455 CD LYS A 30 4.135 9.556 -4.578 1.00 0.00 C ATOM 456 CE LYS A 30 5.323 8.810 -3.961 1.00 0.00 C ATOM 457 NZ LYS A 30 6.494 9.158 -4.818 1.00 0.00 N ATOM 0 H LYS A 30 1.979 6.753 -2.741 1.00 0.00 H new ATOM 0 HA LYS A 30 0.327 8.072 -4.763 1.00 0.00 H new ATOM 0 HB2 LYS A 30 3.178 6.886 -4.645 1.00 0.00 H new ATOM 0 HB3 LYS A 30 2.619 7.903 -5.958 1.00 0.00 H new ATOM 0 HG2 LYS A 30 2.021 9.670 -4.149 1.00 0.00 H new ATOM 0 HG3 LYS A 30 2.923 8.681 -3.018 1.00 0.00 H new ATOM 0 HD2 LYS A 30 4.180 9.496 -5.665 1.00 0.00 H new ATOM 0 HD3 LYS A 30 4.179 10.613 -4.315 1.00 0.00 H new ATOM 0 HE2 LYS A 30 5.487 9.117 -2.928 1.00 0.00 H new ATOM 0 HE3 LYS A 30 5.149 7.734 -3.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 6.983 8.287 -5.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 6.166 9.668 -5.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 7.150 9.761 -4.282 1.00 0.00 H new ATOM 471 N ALA A 31 1.011 4.919 -5.345 1.00 0.00 N ATOM 472 CA ALA A 31 0.648 3.813 -6.297 1.00 0.00 C ATOM 473 C ALA A 31 -0.864 3.633 -6.434 1.00 0.00 C ATOM 474 O ALA A 31 -1.371 3.467 -7.533 1.00 0.00 O ATOM 475 CB ALA A 31 1.285 2.542 -5.725 1.00 0.00 C ATOM 0 H ALA A 31 1.564 4.633 -4.537 1.00 0.00 H new ATOM 0 HA ALA A 31 1.011 4.044 -7.299 1.00 0.00 H new ATOM 0 HB1 ALA A 31 1.057 1.697 -6.374 1.00 0.00 H new ATOM 0 HB2 ALA A 31 2.366 2.672 -5.665 1.00 0.00 H new ATOM 0 HB3 ALA A 31 0.886 2.352 -4.729 1.00 0.00 H new ATOM 481 N ALA A 32 -1.598 3.660 -5.353 1.00 0.00 N ATOM 482 CA ALA A 32 -3.080 3.482 -5.483 1.00 0.00 C ATOM 483 C ALA A 32 -3.675 4.630 -6.259 1.00 0.00 C ATOM 484 O ALA A 32 -4.627 4.446 -6.991 1.00 0.00 O ATOM 485 CB ALA A 32 -3.643 3.471 -4.081 1.00 0.00 C ATOM 0 H ALA A 32 -1.249 3.794 -4.404 1.00 0.00 H new ATOM 0 HA ALA A 32 -3.315 2.558 -6.012 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -4.725 3.343 -4.124 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -3.202 2.648 -3.518 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -3.409 4.414 -3.587 1.00 0.00 H new ATOM 491 N ASN A 33 -3.109 5.809 -6.113 1.00 0.00 N ATOM 492 CA ASN A 33 -3.630 7.001 -6.847 1.00 0.00 C ATOM 493 C ASN A 33 -3.946 6.591 -8.275 1.00 0.00 C ATOM 494 O ASN A 33 -4.997 6.901 -8.808 1.00 0.00 O ATOM 495 CB ASN A 33 -2.495 8.037 -6.812 1.00 0.00 C ATOM 496 CG ASN A 33 -3.062 9.429 -6.508 1.00 0.00 C ATOM 497 OD1 ASN A 33 -2.789 9.993 -5.467 1.00 0.00 O ATOM 498 ND2 ASN A 33 -3.832 10.018 -7.380 1.00 0.00 N ATOM 0 H ASN A 33 -2.305 5.993 -5.513 1.00 0.00 H new ATOM 0 HA ASN A 33 -4.540 7.409 -6.406 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -1.763 7.760 -6.053 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -1.973 8.049 -7.769 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -4.203 10.948 -7.187 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -4.064 9.548 -8.255 1.00 0.00 H new ATOM 505 N ARG A 34 -3.042 5.883 -8.894 1.00 0.00 N ATOM 506 CA ARG A 34 -3.300 5.432 -10.281 1.00 0.00 C ATOM 507 C ARG A 34 -3.873 3.998 -10.333 1.00 0.00 C ATOM 508 O ARG A 34 -5.017 3.795 -10.694 1.00 0.00 O ATOM 509 CB ARG A 34 -1.938 5.494 -10.981 1.00 0.00 C ATOM 510 CG ARG A 34 -1.628 6.941 -11.376 1.00 0.00 C ATOM 511 CD ARG A 34 -0.550 6.957 -12.465 1.00 0.00 C ATOM 512 NE ARG A 34 -1.282 6.708 -13.742 1.00 0.00 N ATOM 513 CZ ARG A 34 -1.356 7.643 -14.647 1.00 0.00 C ATOM 514 NH1 ARG A 34 -2.283 8.560 -14.559 1.00 0.00 N ATOM 515 NH2 ARG A 34 -0.501 7.660 -15.633 1.00 0.00 N ATOM 0 H ARG A 34 -2.144 5.601 -8.500 1.00 0.00 H new ATOM 0 HA ARG A 34 -4.048 6.062 -10.763 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -1.160 5.113 -10.319 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -1.944 4.858 -11.866 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -2.532 7.431 -11.738 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -1.288 7.501 -10.505 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -0.029 7.914 -12.490 1.00 0.00 H new ATOM 0 HD3 ARG A 34 0.202 6.189 -12.286 1.00 0.00 H new ATOM 0 HE ARG A 34 -1.725 5.804 -13.907 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -2.946 8.543 -13.784 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -2.344 9.293 -15.265 1.00 0.00 H new ATOM 0 HH21 ARG A 34 0.222 6.943 -15.693 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -0.556 8.390 -16.343 1.00 0.00 H new ATOM 529 N GLY A 35 -3.055 3.000 -10.069 1.00 0.00 N ATOM 530 CA GLY A 35 -3.520 1.581 -10.202 1.00 0.00 C ATOM 531 C GLY A 35 -3.572 0.727 -8.921 1.00 0.00 C ATOM 532 O GLY A 35 -3.906 -0.417 -9.033 1.00 0.00 O ATOM 0 H GLY A 35 -2.087 3.110 -9.768 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -4.519 1.594 -10.639 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -2.867 1.078 -10.915 1.00 0.00 H new ATOM 536 N SER A 36 -3.223 1.168 -7.745 1.00 0.00 N ATOM 537 CA SER A 36 -3.257 0.188 -6.592 1.00 0.00 C ATOM 538 C SER A 36 -4.667 0.050 -6.037 1.00 0.00 C ATOM 539 O SER A 36 -4.910 -0.692 -5.110 1.00 0.00 O ATOM 540 CB SER A 36 -2.287 0.708 -5.528 1.00 0.00 C ATOM 541 OG SER A 36 -1.482 -0.368 -5.057 1.00 0.00 O ATOM 0 H SER A 36 -2.926 2.118 -7.523 1.00 0.00 H new ATOM 0 HA SER A 36 -2.957 -0.806 -6.923 1.00 0.00 H new ATOM 0 HB2 SER A 36 -1.657 1.492 -5.947 1.00 0.00 H new ATOM 0 HB3 SER A 36 -2.841 1.152 -4.701 1.00 0.00 H new ATOM 0 HG SER A 36 -2.034 -0.985 -4.533 1.00 0.00 H new ATOM 547 N GLY A 37 -5.588 0.790 -6.571 1.00 0.00 N ATOM 548 CA GLY A 37 -6.966 0.743 -6.057 1.00 0.00 C ATOM 549 C GLY A 37 -7.908 1.364 -7.083 1.00 0.00 C ATOM 550 O GLY A 37 -7.741 2.511 -7.442 1.00 0.00 O ATOM 0 H GLY A 37 -5.438 1.431 -7.350 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -7.257 -0.288 -5.857 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -7.032 1.282 -5.112 1.00 0.00 H new ATOM 554 N THR A 38 -8.893 0.648 -7.586 1.00 0.00 N ATOM 555 CA THR A 38 -9.785 1.294 -8.590 1.00 0.00 C ATOM 556 C THR A 38 -10.774 2.211 -7.877 1.00 0.00 C ATOM 557 O THR A 38 -11.435 3.030 -8.489 1.00 0.00 O ATOM 558 CB THR A 38 -10.499 0.146 -9.312 1.00 0.00 C ATOM 559 OG1 THR A 38 -9.531 -0.799 -9.747 1.00 0.00 O ATOM 560 CG2 THR A 38 -11.263 0.685 -10.525 1.00 0.00 C ATOM 0 H THR A 38 -9.108 -0.321 -7.351 1.00 0.00 H new ATOM 0 HA THR A 38 -9.237 1.912 -9.302 1.00 0.00 H new ATOM 0 HB THR A 38 -11.204 -0.328 -8.630 1.00 0.00 H new ATOM 0 HG1 THR A 38 -9.457 -1.519 -9.086 1.00 0.00 H new ATOM 0 HG21 THR A 38 -11.767 -0.137 -11.032 1.00 0.00 H new ATOM 0 HG22 THR A 38 -12.002 1.415 -10.195 1.00 0.00 H new ATOM 0 HG23 THR A 38 -10.564 1.161 -11.213 1.00 0.00 H new ATOM 568 N LYS A 39 -10.894 2.039 -6.585 1.00 0.00 N ATOM 569 CA LYS A 39 -11.846 2.832 -5.752 1.00 0.00 C ATOM 570 C LYS A 39 -13.245 2.298 -6.017 1.00 0.00 C ATOM 571 O LYS A 39 -13.920 1.833 -5.123 1.00 0.00 O ATOM 572 CB LYS A 39 -11.729 4.312 -6.139 1.00 0.00 C ATOM 573 CG LYS A 39 -12.607 5.147 -5.191 1.00 0.00 C ATOM 574 CD LYS A 39 -13.420 6.170 -5.997 1.00 0.00 C ATOM 575 CE LYS A 39 -13.744 7.391 -5.121 1.00 0.00 C ATOM 576 NZ LYS A 39 -14.794 6.933 -4.163 1.00 0.00 N ATOM 0 H LYS A 39 -10.351 1.357 -6.056 1.00 0.00 H new ATOM 0 HA LYS A 39 -11.623 2.743 -4.689 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -10.691 4.637 -6.075 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -12.046 4.458 -7.172 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -13.278 4.494 -4.633 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -11.982 5.661 -4.460 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -12.857 6.482 -6.877 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -14.343 5.713 -6.354 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -12.857 7.740 -4.592 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -14.103 8.223 -5.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -15.621 7.560 -4.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -15.078 5.960 -4.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -14.416 6.959 -3.195 1.00 0.00 H new ATOM 590 N ALA A 40 -13.652 2.292 -7.260 1.00 0.00 N ATOM 591 CA ALA A 40 -14.969 1.698 -7.593 1.00 0.00 C ATOM 592 C ALA A 40 -14.866 0.192 -7.314 1.00 0.00 C ATOM 593 O ALA A 40 -15.861 -0.491 -7.157 1.00 0.00 O ATOM 594 CB ALA A 40 -15.181 1.966 -9.085 1.00 0.00 C ATOM 0 H ALA A 40 -13.130 2.671 -8.050 1.00 0.00 H new ATOM 0 HA ALA A 40 -15.798 2.109 -7.016 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -16.140 1.551 -9.397 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -15.175 3.041 -9.266 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -14.380 1.497 -9.656 1.00 0.00 H new ATOM 600 N ASN A 41 -13.649 -0.325 -7.239 1.00 0.00 N ATOM 601 CA ASN A 41 -13.459 -1.772 -6.952 1.00 0.00 C ATOM 602 C ASN A 41 -12.036 -2.054 -6.439 1.00 0.00 C ATOM 603 O ASN A 41 -11.282 -2.716 -7.100 1.00 0.00 O ATOM 604 CB ASN A 41 -13.608 -2.411 -8.327 1.00 0.00 C ATOM 605 CG ASN A 41 -14.668 -3.514 -8.285 1.00 0.00 C ATOM 606 OD1 ASN A 41 -14.421 -4.626 -8.702 1.00 0.00 O ATOM 607 ND2 ASN A 41 -15.850 -3.248 -7.803 1.00 0.00 N ATOM 0 H ASN A 41 -12.787 0.205 -7.366 1.00 0.00 H new ATOM 0 HA ASN A 41 -14.153 -2.139 -6.196 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -13.889 -1.654 -9.059 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -12.653 -2.826 -8.648 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -16.565 -3.975 -7.777 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -16.059 -2.313 -7.452 1.00 0.00 H new ATOM 614 N PRO A 42 -11.714 -1.576 -5.274 1.00 0.00 N ATOM 615 CA PRO A 42 -10.389 -1.821 -4.665 1.00 0.00 C ATOM 616 C PRO A 42 -10.562 -2.602 -3.344 1.00 0.00 C ATOM 617 O PRO A 42 -11.673 -2.905 -2.965 1.00 0.00 O ATOM 618 CB PRO A 42 -10.014 -0.410 -4.320 1.00 0.00 C ATOM 619 CG PRO A 42 -11.358 0.279 -4.059 1.00 0.00 C ATOM 620 CD PRO A 42 -12.459 -0.694 -4.426 1.00 0.00 C ATOM 0 HA PRO A 42 -9.688 -2.376 -5.288 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -9.369 -0.372 -3.442 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -9.472 0.069 -5.135 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -11.440 0.571 -3.012 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -11.441 1.190 -4.651 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -12.878 -1.201 -3.557 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -13.288 -0.213 -4.945 1.00 0.00 H new ATOM 628 N ASP A 43 -9.512 -2.880 -2.591 1.00 0.00 N ATOM 629 CA ASP A 43 -9.766 -3.587 -1.279 1.00 0.00 C ATOM 630 C ASP A 43 -8.550 -3.614 -0.341 1.00 0.00 C ATOM 631 O ASP A 43 -7.556 -2.943 -0.549 1.00 0.00 O ATOM 632 CB ASP A 43 -10.208 -5.001 -1.633 1.00 0.00 C ATOM 633 CG ASP A 43 -11.230 -5.467 -0.586 1.00 0.00 C ATOM 634 OD1 ASP A 43 -12.380 -5.070 -0.681 1.00 0.00 O ATOM 635 OD2 ASP A 43 -10.832 -6.180 0.321 1.00 0.00 O ATOM 0 H ASP A 43 -8.540 -2.663 -2.810 1.00 0.00 H new ATOM 0 HA ASP A 43 -10.528 -3.042 -0.722 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -10.650 -5.022 -2.629 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -9.350 -5.673 -1.651 1.00 0.00 H new ATOM 640 N ILE A 44 -8.652 -4.395 0.710 1.00 0.00 N ATOM 641 CA ILE A 44 -7.539 -4.519 1.699 1.00 0.00 C ATOM 642 C ILE A 44 -6.638 -5.684 1.281 1.00 0.00 C ATOM 643 O ILE A 44 -7.113 -6.691 0.777 1.00 0.00 O ATOM 644 CB ILE A 44 -8.223 -4.812 3.048 1.00 0.00 C ATOM 645 CG1 ILE A 44 -8.835 -6.221 3.044 1.00 0.00 C ATOM 646 CG2 ILE A 44 -9.340 -3.795 3.291 1.00 0.00 C ATOM 647 CD1 ILE A 44 -7.961 -7.171 3.869 1.00 0.00 C ATOM 0 H ILE A 44 -9.474 -4.959 0.925 1.00 0.00 H new ATOM 0 HA ILE A 44 -6.920 -3.624 1.760 1.00 0.00 H new ATOM 0 HB ILE A 44 -7.473 -4.744 3.836 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -9.843 -6.190 3.456 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -8.920 -6.587 2.021 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -9.822 -4.005 4.246 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -8.919 -2.790 3.310 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -10.076 -3.865 2.490 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -8.401 -8.168 3.862 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -6.961 -7.212 3.438 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -7.899 -6.809 4.895 1.00 0.00 H new ATOM 659 N ILE A 45 -5.347 -5.572 1.449 1.00 0.00 N ATOM 660 CA ILE A 45 -4.485 -6.703 1.008 1.00 0.00 C ATOM 661 C ILE A 45 -3.097 -6.683 1.629 1.00 0.00 C ATOM 662 O ILE A 45 -2.448 -5.655 1.734 1.00 0.00 O ATOM 663 CB ILE A 45 -4.360 -6.522 -0.512 1.00 0.00 C ATOM 664 CG1 ILE A 45 -3.170 -7.334 -1.059 1.00 0.00 C ATOM 665 CG2 ILE A 45 -4.137 -5.042 -0.840 1.00 0.00 C ATOM 666 CD1 ILE A 45 -3.385 -8.828 -0.809 1.00 0.00 C ATOM 0 H ILE A 45 -4.865 -4.772 1.859 1.00 0.00 H new ATOM 0 HA ILE A 45 -4.927 -7.652 1.312 1.00 0.00 H new ATOM 0 HB ILE A 45 -5.281 -6.876 -0.975 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -3.056 -7.150 -2.127 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -2.247 -7.007 -0.579 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -4.049 -4.918 -1.919 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -4.981 -4.457 -0.475 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -3.222 -4.697 -0.359 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -2.536 -9.388 -1.201 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -3.475 -9.008 0.262 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -4.297 -9.153 -1.310 1.00 0.00 H new ATOM 678 N ARG A 46 -2.603 -7.843 1.935 1.00 0.00 N ATOM 679 CA ARG A 46 -1.216 -7.943 2.422 1.00 0.00 C ATOM 680 C ARG A 46 -0.369 -8.057 1.153 1.00 0.00 C ATOM 681 O ARG A 46 -0.238 -9.128 0.588 1.00 0.00 O ATOM 682 CB ARG A 46 -1.146 -9.232 3.254 1.00 0.00 C ATOM 683 CG ARG A 46 -1.879 -9.041 4.587 1.00 0.00 C ATOM 684 CD ARG A 46 -2.634 -10.328 4.945 1.00 0.00 C ATOM 685 NE ARG A 46 -2.404 -10.529 6.408 1.00 0.00 N ATOM 686 CZ ARG A 46 -2.239 -11.733 6.887 1.00 0.00 C ATOM 687 NH1 ARG A 46 -3.233 -12.582 6.871 1.00 0.00 N ATOM 688 NH2 ARG A 46 -1.081 -12.084 7.378 1.00 0.00 N ATOM 0 H ARG A 46 -3.106 -8.728 1.867 1.00 0.00 H new ATOM 0 HA ARG A 46 -0.878 -7.106 3.033 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -1.594 -10.057 2.699 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -0.105 -9.499 3.438 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -1.166 -8.794 5.374 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -2.576 -8.206 4.515 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -3.697 -10.234 4.724 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -2.262 -11.175 4.369 1.00 0.00 H new ATOM 0 HE ARG A 46 -2.376 -9.724 7.034 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -4.135 -12.304 6.485 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -3.106 -13.523 7.244 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -0.308 -11.419 7.387 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -0.950 -13.024 7.753 1.00 0.00 H new ATOM 702 N LEU A 47 0.170 -6.962 0.677 1.00 0.00 N ATOM 703 CA LEU A 47 0.972 -7.012 -0.584 1.00 0.00 C ATOM 704 C LEU A 47 2.180 -7.893 -0.335 1.00 0.00 C ATOM 705 O LEU A 47 3.173 -7.467 0.216 1.00 0.00 O ATOM 706 CB LEU A 47 1.419 -5.568 -0.850 1.00 0.00 C ATOM 707 CG LEU A 47 0.404 -4.841 -1.741 1.00 0.00 C ATOM 708 CD1 LEU A 47 -0.931 -4.673 -1.009 1.00 0.00 C ATOM 709 CD2 LEU A 47 0.955 -3.459 -2.107 1.00 0.00 C ATOM 0 H LEU A 47 0.090 -6.040 1.105 1.00 0.00 H new ATOM 0 HA LEU A 47 0.412 -7.411 -1.430 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.527 -5.036 0.095 1.00 0.00 H new ATOM 0 HB3 LEU A 47 2.398 -5.568 -1.330 1.00 0.00 H new ATOM 0 HG LEU A 47 0.239 -5.432 -2.642 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -1.638 -4.155 -1.657 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -1.329 -5.654 -0.748 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -0.777 -4.090 -0.101 1.00 0.00 H new ATOM 0 HD21 LEU A 47 0.238 -2.937 -2.741 1.00 0.00 H new ATOM 0 HD22 LEU A 47 1.123 -2.882 -1.198 1.00 0.00 H new ATOM 0 HD23 LEU A 47 1.897 -3.573 -2.644 1.00 0.00 H new ATOM 721 N ARG A 48 2.079 -9.134 -0.694 1.00 0.00 N ATOM 722 CA ARG A 48 3.197 -10.073 -0.436 1.00 0.00 C ATOM 723 C ARG A 48 4.004 -10.361 -1.713 1.00 0.00 C ATOM 724 O ARG A 48 3.786 -9.756 -2.750 1.00 0.00 O ATOM 725 CB ARG A 48 2.541 -11.352 0.103 1.00 0.00 C ATOM 726 CG ARG A 48 1.610 -11.953 -0.958 1.00 0.00 C ATOM 727 CD ARG A 48 1.343 -13.428 -0.640 1.00 0.00 C ATOM 728 NE ARG A 48 1.650 -14.163 -1.905 1.00 0.00 N ATOM 729 CZ ARG A 48 0.756 -14.955 -2.431 1.00 0.00 C ATOM 730 NH1 ARG A 48 0.667 -16.195 -2.029 1.00 0.00 N ATOM 731 NH2 ARG A 48 -0.056 -14.500 -3.348 1.00 0.00 N ATOM 0 H ARG A 48 1.267 -9.542 -1.157 1.00 0.00 H new ATOM 0 HA ARG A 48 3.910 -9.653 0.273 1.00 0.00 H new ATOM 0 HB2 ARG A 48 3.308 -12.076 0.377 1.00 0.00 H new ATOM 0 HB3 ARG A 48 1.977 -11.127 1.008 1.00 0.00 H new ATOM 0 HG2 ARG A 48 0.670 -11.401 -0.985 1.00 0.00 H new ATOM 0 HG3 ARG A 48 2.062 -11.861 -1.946 1.00 0.00 H new ATOM 0 HD2 ARG A 48 1.973 -13.774 0.180 1.00 0.00 H new ATOM 0 HD3 ARG A 48 0.308 -13.584 -0.335 1.00 0.00 H new ATOM 0 HE ARG A 48 2.557 -14.046 -2.356 1.00 0.00 H new ATOM 0 HH11 ARG A 48 1.296 -16.543 -1.305 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -0.031 -16.815 -2.439 1.00 0.00 H new ATOM 0 HH21 ARG A 48 0.010 -13.528 -3.651 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -0.756 -15.117 -3.761 1.00 0.00 H new ATOM 827 N LYS A 54 8.524 -10.390 1.694 1.00 0.00 N ATOM 828 CA LYS A 54 8.019 -9.032 1.361 1.00 0.00 C ATOM 829 C LYS A 54 6.488 -9.013 1.440 1.00 0.00 C ATOM 830 O LYS A 54 5.811 -9.439 0.527 1.00 0.00 O ATOM 831 CB LYS A 54 8.513 -8.781 -0.061 1.00 0.00 C ATOM 832 CG LYS A 54 9.847 -8.025 -0.020 1.00 0.00 C ATOM 833 CD LYS A 54 10.145 -7.407 -1.392 1.00 0.00 C ATOM 834 CE LYS A 54 9.929 -8.448 -2.499 1.00 0.00 C ATOM 835 NZ LYS A 54 11.233 -9.157 -2.660 1.00 0.00 N ATOM 0 HA LYS A 54 8.370 -8.261 2.048 1.00 0.00 H new ATOM 0 HB2 LYS A 54 8.637 -9.728 -0.586 1.00 0.00 H new ATOM 0 HB3 LYS A 54 7.774 -8.204 -0.616 1.00 0.00 H new ATOM 0 HG2 LYS A 54 9.808 -7.243 0.739 1.00 0.00 H new ATOM 0 HG3 LYS A 54 10.651 -8.705 0.264 1.00 0.00 H new ATOM 0 HD2 LYS A 54 9.497 -6.547 -1.560 1.00 0.00 H new ATOM 0 HD3 LYS A 54 11.172 -7.043 -1.420 1.00 0.00 H new ATOM 0 HE2 LYS A 54 9.137 -9.146 -2.229 1.00 0.00 H new ATOM 0 HE3 LYS A 54 9.628 -7.969 -3.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 11.146 -9.880 -3.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 11.969 -8.473 -2.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 11.493 -9.613 -1.762 1.00 0.00 H new ATOM 849 N VAL A 55 5.949 -8.537 2.539 1.00 0.00 N ATOM 850 CA VAL A 55 4.462 -8.495 2.713 1.00 0.00 C ATOM 851 C VAL A 55 4.034 -7.154 3.332 1.00 0.00 C ATOM 852 O VAL A 55 4.109 -6.956 4.532 1.00 0.00 O ATOM 853 CB VAL A 55 4.127 -9.659 3.661 1.00 0.00 C ATOM 854 CG1 VAL A 55 2.617 -9.919 3.642 1.00 0.00 C ATOM 855 CG2 VAL A 55 4.856 -10.932 3.215 1.00 0.00 C ATOM 0 H VAL A 55 6.481 -8.173 3.329 1.00 0.00 H new ATOM 0 HA VAL A 55 3.938 -8.587 1.761 1.00 0.00 H new ATOM 0 HB VAL A 55 4.447 -9.393 4.668 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.381 -10.744 4.314 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.089 -9.023 3.969 1.00 0.00 H new ATOM 0 HG13 VAL A 55 2.305 -10.175 2.630 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.611 -11.749 3.894 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.544 -11.195 2.204 1.00 0.00 H new ATOM 0 HG23 VAL A 55 5.932 -10.759 3.229 1.00 0.00 H new ATOM 865 N HIS A 56 3.560 -6.241 2.524 1.00 0.00 N ATOM 866 CA HIS A 56 3.098 -4.914 3.054 1.00 0.00 C ATOM 867 C HIS A 56 1.609 -5.025 3.359 1.00 0.00 C ATOM 868 O HIS A 56 0.885 -5.624 2.601 1.00 0.00 O ATOM 869 CB HIS A 56 3.441 -3.916 1.911 1.00 0.00 C ATOM 870 CG HIS A 56 2.279 -3.032 1.459 1.00 0.00 C ATOM 871 ND1 HIS A 56 2.503 -1.709 1.039 1.00 0.00 N ATOM 872 CD2 HIS A 56 0.925 -3.257 1.249 1.00 0.00 C ATOM 873 CE1 HIS A 56 1.327 -1.209 0.600 1.00 0.00 C ATOM 874 NE2 HIS A 56 0.371 -2.113 0.713 1.00 0.00 N ATOM 0 H HIS A 56 3.471 -6.354 1.514 1.00 0.00 H new ATOM 0 HA HIS A 56 3.567 -4.585 3.981 1.00 0.00 H new ATOM 0 HB2 HIS A 56 4.259 -3.275 2.241 1.00 0.00 H new ATOM 0 HB3 HIS A 56 3.805 -4.480 1.052 1.00 0.00 H new ATOM 0 HD1 HIS A 56 3.395 -1.215 1.062 1.00 0.00 H new ATOM 0 HD2 HIS A 56 0.395 -4.172 1.468 1.00 0.00 H new ATOM 0 HE1 HIS A 56 1.188 -0.211 0.212 1.00 0.00 H new ATOM 883 N VAL A 57 1.116 -4.496 4.454 1.00 0.00 N ATOM 884 CA VAL A 57 -0.336 -4.652 4.698 1.00 0.00 C ATOM 885 C VAL A 57 -1.002 -3.286 4.651 1.00 0.00 C ATOM 886 O VAL A 57 -0.905 -2.498 5.567 1.00 0.00 O ATOM 887 CB VAL A 57 -0.473 -5.316 6.075 1.00 0.00 C ATOM 888 CG1 VAL A 57 -1.851 -5.972 6.174 1.00 0.00 C ATOM 889 CG2 VAL A 57 0.597 -6.401 6.250 1.00 0.00 C ATOM 0 H VAL A 57 1.641 -3.982 5.161 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.824 -5.267 3.942 1.00 0.00 H new ATOM 0 HB VAL A 57 -0.350 -4.558 6.849 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -1.959 -6.447 7.149 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.625 -5.214 6.052 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.953 -6.724 5.391 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.489 -6.864 7.231 1.00 0.00 H new ATOM 0 HG22 VAL A 57 0.477 -7.159 5.476 1.00 0.00 H new ATOM 0 HG23 VAL A 57 1.587 -5.952 6.168 1.00 0.00 H new ATOM 899 N PHE A 58 -1.680 -3.003 3.582 1.00 0.00 N ATOM 900 CA PHE A 58 -2.371 -1.697 3.464 1.00 0.00 C ATOM 901 C PHE A 58 -3.658 -1.903 2.656 1.00 0.00 C ATOM 902 O PHE A 58 -3.923 -2.968 2.119 1.00 0.00 O ATOM 903 CB PHE A 58 -1.416 -0.755 2.690 1.00 0.00 C ATOM 904 CG PHE A 58 -0.810 0.372 3.545 1.00 0.00 C ATOM 905 CD1 PHE A 58 -1.477 1.615 3.721 1.00 0.00 C ATOM 906 CD2 PHE A 58 0.467 0.201 4.100 1.00 0.00 C ATOM 907 CE1 PHE A 58 -0.869 2.647 4.449 1.00 0.00 C ATOM 908 CE2 PHE A 58 1.074 1.245 4.815 1.00 0.00 C ATOM 909 CZ PHE A 58 0.409 2.463 4.988 1.00 0.00 C ATOM 0 H PHE A 58 -1.786 -3.624 2.780 1.00 0.00 H new ATOM 0 HA PHE A 58 -2.622 -1.278 4.439 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -0.606 -1.347 2.264 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -1.959 -0.311 1.856 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -2.457 1.765 3.292 1.00 0.00 H new ATOM 0 HD2 PHE A 58 0.985 -0.738 3.976 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -1.387 3.584 4.594 1.00 0.00 H new ATOM 0 HE2 PHE A 58 2.060 1.107 5.234 1.00 0.00 H new ATOM 0 HZ PHE A 58 0.882 3.263 5.538 1.00 0.00 H new ATOM 919 N LYS A 59 -4.419 -0.875 2.540 1.00 0.00 N ATOM 920 CA LYS A 59 -5.686 -0.926 1.729 1.00 0.00 C ATOM 921 C LYS A 59 -5.646 0.282 0.797 1.00 0.00 C ATOM 922 O LYS A 59 -5.393 1.367 1.257 1.00 0.00 O ATOM 923 CB LYS A 59 -6.849 -0.815 2.728 1.00 0.00 C ATOM 924 CG LYS A 59 -6.630 -1.752 3.928 1.00 0.00 C ATOM 925 CD LYS A 59 -7.788 -1.589 4.924 1.00 0.00 C ATOM 926 CE LYS A 59 -7.338 -2.012 6.330 1.00 0.00 C ATOM 927 NZ LYS A 59 -7.573 -3.482 6.416 1.00 0.00 N ATOM 0 H LYS A 59 -4.230 0.028 2.975 1.00 0.00 H new ATOM 0 HA LYS A 59 -5.799 -1.837 1.142 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -6.938 0.214 3.076 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -7.786 -1.066 2.231 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -6.571 -2.786 3.589 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -5.682 -1.521 4.415 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -8.123 -0.552 4.938 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -8.638 -2.194 4.608 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -6.286 -1.776 6.490 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -7.904 -1.482 7.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -8.025 -3.709 7.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -8.194 -3.780 5.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -6.665 -3.983 6.346 1.00 0.00 H new ATOM 941 N ALA A 60 -5.833 0.128 -0.499 1.00 0.00 N ATOM 942 CA ALA A 60 -5.704 1.338 -1.385 1.00 0.00 C ATOM 943 C ALA A 60 -7.019 1.751 -2.055 1.00 0.00 C ATOM 944 O ALA A 60 -7.542 1.057 -2.904 1.00 0.00 O ATOM 945 CB ALA A 60 -4.682 0.939 -2.445 1.00 0.00 C ATOM 0 H ALA A 60 -6.061 -0.749 -0.968 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.406 2.204 -0.794 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -4.530 1.770 -3.134 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -3.737 0.689 -1.963 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -5.048 0.073 -2.996 1.00 0.00 H new ATOM 951 N TRP A 61 -7.537 2.897 -1.687 1.00 0.00 N ATOM 952 CA TRP A 61 -8.831 3.392 -2.302 1.00 0.00 C ATOM 953 C TRP A 61 -8.687 4.831 -2.780 1.00 0.00 C ATOM 954 O TRP A 61 -7.601 5.330 -2.842 1.00 0.00 O ATOM 955 CB TRP A 61 -9.861 3.281 -1.184 1.00 0.00 C ATOM 956 CG TRP A 61 -9.880 1.868 -0.746 1.00 0.00 C ATOM 957 CD1 TRP A 61 -9.820 0.840 -1.587 1.00 0.00 C ATOM 958 CD2 TRP A 61 -9.924 1.314 0.586 1.00 0.00 C ATOM 959 NE1 TRP A 61 -9.850 -0.330 -0.879 1.00 0.00 N ATOM 960 CE2 TRP A 61 -9.927 -0.094 0.482 1.00 0.00 C ATOM 961 CE3 TRP A 61 -9.977 1.894 1.852 1.00 0.00 C ATOM 962 CZ2 TRP A 61 -9.985 -0.906 1.614 1.00 0.00 C ATOM 963 CZ3 TRP A 61 -10.033 1.088 3.001 1.00 0.00 C ATOM 964 CH2 TRP A 61 -10.043 -0.313 2.881 1.00 0.00 C ATOM 0 H TRP A 61 -7.128 3.518 -0.989 1.00 0.00 H new ATOM 0 HA TRP A 61 -9.120 2.813 -3.179 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -9.600 3.938 -0.354 1.00 0.00 H new ATOM 0 HB3 TRP A 61 -10.846 3.588 -1.536 1.00 0.00 H new ATOM 0 HD1 TRP A 61 -9.757 0.917 -2.662 1.00 0.00 H new ATOM 0 HE1 TRP A 61 -9.819 -1.258 -1.301 1.00 0.00 H new ATOM 0 HE3 TRP A 61 -9.975 2.970 1.950 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -9.985 -1.981 1.515 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -10.068 1.545 3.979 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -10.095 -0.931 3.765 1.00 0.00 H new ATOM 975 N LYS A 62 -9.762 5.511 -3.132 1.00 0.00 N ATOM 976 CA LYS A 62 -9.610 6.935 -3.593 1.00 0.00 C ATOM 977 C LYS A 62 -10.411 7.900 -2.700 1.00 0.00 C ATOM 978 O LYS A 62 -11.545 8.230 -2.988 1.00 0.00 O ATOM 979 CB LYS A 62 -10.124 6.968 -5.037 1.00 0.00 C ATOM 980 CG LYS A 62 -9.413 8.084 -5.814 1.00 0.00 C ATOM 981 CD LYS A 62 -9.743 9.444 -5.185 1.00 0.00 C ATOM 982 CE LYS A 62 -9.670 10.543 -6.250 1.00 0.00 C ATOM 983 NZ LYS A 62 -8.277 11.074 -6.175 1.00 0.00 N ATOM 0 H LYS A 62 -10.716 5.151 -3.121 1.00 0.00 H new ATOM 0 HA LYS A 62 -8.571 7.259 -3.533 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -9.946 6.006 -5.518 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -11.201 7.135 -5.046 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -8.336 7.919 -5.802 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -9.726 8.070 -6.858 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -10.740 9.418 -4.744 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -9.043 9.661 -4.378 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -9.886 10.145 -7.241 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -10.401 11.328 -6.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -8.156 11.831 -6.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -8.101 11.454 -5.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -7.602 10.308 -6.372 1.00 0.00 H new ATOM 997 N GLU A 63 -9.781 8.377 -1.647 1.00 0.00 N ATOM 998 CA GLU A 63 -10.413 9.367 -0.701 1.00 0.00 C ATOM 999 C GLU A 63 -9.319 10.004 0.215 1.00 0.00 C ATOM 1000 O GLU A 63 -8.187 9.576 0.235 1.00 0.00 O ATOM 1001 CB GLU A 63 -11.430 8.574 0.108 1.00 0.00 C ATOM 1002 CG GLU A 63 -12.763 8.488 -0.640 1.00 0.00 C ATOM 1003 CD GLU A 63 -13.899 8.877 0.303 1.00 0.00 C ATOM 1004 OE1 GLU A 63 -14.276 8.050 1.117 1.00 0.00 O ATOM 1005 OE2 GLU A 63 -14.367 9.995 0.197 1.00 0.00 O ATOM 0 H GLU A 63 -8.828 8.115 -1.396 1.00 0.00 H new ATOM 0 HA GLU A 63 -10.896 10.191 -1.226 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -11.049 7.571 0.299 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -11.581 9.048 1.078 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -12.751 9.151 -1.505 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -12.917 7.476 -1.016 1.00 0.00 H new ATOM 1012 N ILE A 64 -9.631 11.047 0.948 1.00 0.00 N ATOM 1013 CA ILE A 64 -8.567 11.736 1.790 1.00 0.00 C ATOM 1014 C ILE A 64 -8.099 10.959 3.051 1.00 0.00 C ATOM 1015 O ILE A 64 -8.753 10.985 4.077 1.00 0.00 O ATOM 1016 CB ILE A 64 -9.206 13.082 2.200 1.00 0.00 C ATOM 1017 CG1 ILE A 64 -8.277 13.825 3.169 1.00 0.00 C ATOM 1018 CG2 ILE A 64 -10.558 12.848 2.885 1.00 0.00 C ATOM 1019 CD1 ILE A 64 -8.506 15.333 3.046 1.00 0.00 C ATOM 0 H ILE A 64 -10.563 11.457 1.008 1.00 0.00 H new ATOM 0 HA ILE A 64 -7.655 11.828 1.201 1.00 0.00 H new ATOM 0 HB ILE A 64 -9.358 13.679 1.301 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -8.467 13.500 4.192 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -7.237 13.586 2.947 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -10.994 13.806 3.167 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -11.229 12.332 2.198 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -10.413 12.239 3.777 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -7.845 15.859 3.735 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -8.293 15.651 2.025 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -9.543 15.565 3.290 1.00 0.00 H new ATOM 1031 N VAL A 65 -6.944 10.297 3.002 1.00 0.00 N ATOM 1032 CA VAL A 65 -6.442 9.576 4.215 1.00 0.00 C ATOM 1033 C VAL A 65 -5.521 10.487 5.053 1.00 0.00 C ATOM 1034 O VAL A 65 -5.450 11.687 4.863 1.00 0.00 O ATOM 1035 CB VAL A 65 -5.643 8.334 3.755 1.00 0.00 C ATOM 1036 CG1 VAL A 65 -6.411 7.072 4.143 1.00 0.00 C ATOM 1037 CG2 VAL A 65 -5.371 8.335 2.241 1.00 0.00 C ATOM 0 H VAL A 65 -6.344 10.233 2.180 1.00 0.00 H new ATOM 0 HA VAL A 65 -7.292 9.282 4.831 1.00 0.00 H new ATOM 0 HB VAL A 65 -4.674 8.360 4.253 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -5.853 6.193 3.821 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -6.541 7.043 5.225 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -7.388 7.078 3.660 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -4.807 7.442 1.972 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -6.318 8.343 1.701 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -4.795 9.221 1.975 1.00 0.00 H new ATOM 1047 N ASP A 66 -4.817 9.884 5.974 1.00 0.00 N ATOM 1048 CA ASP A 66 -3.864 10.608 6.869 1.00 0.00 C ATOM 1049 C ASP A 66 -2.452 10.026 6.672 1.00 0.00 C ATOM 1050 O ASP A 66 -2.276 8.832 6.681 1.00 0.00 O ATOM 1051 CB ASP A 66 -4.371 10.327 8.289 1.00 0.00 C ATOM 1052 CG ASP A 66 -3.336 10.795 9.311 1.00 0.00 C ATOM 1053 OD1 ASP A 66 -3.392 11.954 9.688 1.00 0.00 O ATOM 1054 OD2 ASP A 66 -2.506 9.989 9.698 1.00 0.00 O ATOM 0 H ASP A 66 -4.866 8.880 6.149 1.00 0.00 H new ATOM 0 HA ASP A 66 -3.812 11.678 6.665 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -5.318 10.841 8.455 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -4.561 9.261 8.413 1.00 0.00 H new ATOM 1059 N ALA A 67 -1.473 10.874 6.459 1.00 0.00 N ATOM 1060 CA ALA A 67 -0.054 10.431 6.199 1.00 0.00 C ATOM 1061 C ALA A 67 0.589 9.740 7.392 1.00 0.00 C ATOM 1062 O ALA A 67 1.051 10.421 8.251 1.00 0.00 O ATOM 1063 CB ALA A 67 0.720 11.735 5.980 1.00 0.00 C ATOM 0 H ALA A 67 -1.598 11.886 6.454 1.00 0.00 H new ATOM 0 HA ALA A 67 -0.041 9.726 5.368 1.00 0.00 H new ATOM 0 HB1 ALA A 67 1.768 11.508 5.783 1.00 0.00 H new ATOM 0 HB2 ALA A 67 0.299 12.270 5.129 1.00 0.00 H new ATOM 0 HB3 ALA A 67 0.645 12.357 6.872 1.00 0.00 H new ATOM 1069 N PRO A 68 0.647 8.422 7.394 1.00 0.00 N ATOM 1070 CA PRO A 68 1.287 7.698 8.522 1.00 0.00 C ATOM 1071 C PRO A 68 2.810 7.621 8.318 1.00 0.00 C ATOM 1072 O PRO A 68 3.378 8.340 7.510 1.00 0.00 O ATOM 1073 CB PRO A 68 0.661 6.308 8.444 1.00 0.00 C ATOM 1074 CG PRO A 68 0.256 6.128 7.013 1.00 0.00 C ATOM 1075 CD PRO A 68 0.155 7.492 6.376 1.00 0.00 C ATOM 0 HA PRO A 68 1.135 8.182 9.487 1.00 0.00 H new ATOM 0 HB2 PRO A 68 1.372 5.540 8.750 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -0.200 6.228 9.108 1.00 0.00 H new ATOM 0 HG2 PRO A 68 0.987 5.515 6.485 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -0.700 5.608 6.951 1.00 0.00 H new ATOM 0 HD2 PRO A 68 0.754 7.549 5.467 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -0.873 7.722 6.095 1.00 0.00 H new ATOM 1083 N LYS A 69 3.478 6.743 9.036 1.00 0.00 N ATOM 1084 CA LYS A 69 4.964 6.609 8.879 1.00 0.00 C ATOM 1085 C LYS A 69 5.290 5.989 7.512 1.00 0.00 C ATOM 1086 O LYS A 69 5.815 4.888 7.409 1.00 0.00 O ATOM 1087 CB LYS A 69 5.419 5.696 10.022 1.00 0.00 C ATOM 1088 CG LYS A 69 5.480 6.498 11.328 1.00 0.00 C ATOM 1089 CD LYS A 69 6.629 7.513 11.263 1.00 0.00 C ATOM 1090 CE LYS A 69 6.063 8.941 11.278 1.00 0.00 C ATOM 1091 NZ LYS A 69 5.742 9.225 12.709 1.00 0.00 N ATOM 0 H LYS A 69 3.058 6.116 9.722 1.00 0.00 H new ATOM 0 HA LYS A 69 5.473 7.572 8.921 1.00 0.00 H new ATOM 0 HB2 LYS A 69 4.729 4.859 10.129 1.00 0.00 H new ATOM 0 HB3 LYS A 69 6.398 5.274 9.796 1.00 0.00 H new ATOM 0 HG2 LYS A 69 4.535 7.015 11.492 1.00 0.00 H new ATOM 0 HG3 LYS A 69 5.625 5.824 12.172 1.00 0.00 H new ATOM 0 HD2 LYS A 69 7.301 7.370 12.109 1.00 0.00 H new ATOM 0 HD3 LYS A 69 7.216 7.354 10.358 1.00 0.00 H new ATOM 0 HE2 LYS A 69 6.788 9.655 10.889 1.00 0.00 H new ATOM 0 HE3 LYS A 69 5.173 9.018 10.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 5.351 10.185 12.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 5.043 8.535 13.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 6.608 9.153 13.280 1.00 0.00 H new ATOM 1105 N ASN A 70 4.968 6.701 6.466 1.00 0.00 N ATOM 1106 CA ASN A 70 5.227 6.205 5.083 1.00 0.00 C ATOM 1107 C ASN A 70 6.524 6.798 4.521 1.00 0.00 C ATOM 1108 O ASN A 70 7.003 6.364 3.493 1.00 0.00 O ATOM 1109 CB ASN A 70 4.032 6.677 4.265 1.00 0.00 C ATOM 1110 CG ASN A 70 3.091 5.497 4.016 1.00 0.00 C ATOM 1111 OD1 ASN A 70 3.529 4.386 3.809 1.00 0.00 O ATOM 1112 ND2 ASN A 70 1.808 5.691 4.020 1.00 0.00 N ATOM 0 H ASN A 70 4.529 7.621 6.512 1.00 0.00 H new ATOM 0 HA ASN A 70 5.345 5.122 5.058 1.00 0.00 H new ATOM 0 HB2 ASN A 70 3.506 7.471 4.794 1.00 0.00 H new ATOM 0 HB3 ASN A 70 4.369 7.095 3.316 1.00 0.00 H new ATOM 0 HD21 ASN A 70 1.174 4.911 3.850 1.00 0.00 H new ATOM 0 HD22 ASN A 70 1.434 6.624 4.194 1.00 0.00 H new ATOM 1119 N ARG A 71 7.060 7.802 5.176 1.00 0.00 N ATOM 1120 CA ARG A 71 8.323 8.485 4.727 1.00 0.00 C ATOM 1121 C ARG A 71 8.324 8.773 3.212 1.00 0.00 C ATOM 1122 O ARG A 71 9.273 8.457 2.516 1.00 0.00 O ATOM 1123 CB ARG A 71 9.492 7.566 5.157 1.00 0.00 C ATOM 1124 CG ARG A 71 9.488 6.233 4.391 1.00 0.00 C ATOM 1125 CD ARG A 71 8.756 5.156 5.206 1.00 0.00 C ATOM 1126 NE ARG A 71 9.615 3.946 5.104 1.00 0.00 N ATOM 1127 CZ ARG A 71 10.445 3.654 6.066 1.00 0.00 C ATOM 1128 NH1 ARG A 71 9.983 3.310 7.240 1.00 0.00 N ATOM 1129 NH2 ARG A 71 11.730 3.712 5.852 1.00 0.00 N ATOM 0 H ARG A 71 6.662 8.190 6.031 1.00 0.00 H new ATOM 0 HA ARG A 71 8.418 9.467 5.190 1.00 0.00 H new ATOM 0 HB2 ARG A 71 10.438 8.079 4.987 1.00 0.00 H new ATOM 0 HB3 ARG A 71 9.424 7.370 6.227 1.00 0.00 H new ATOM 0 HG2 ARG A 71 9.001 6.362 3.424 1.00 0.00 H new ATOM 0 HG3 ARG A 71 10.512 5.916 4.192 1.00 0.00 H new ATOM 0 HD2 ARG A 71 8.630 5.464 6.244 1.00 0.00 H new ATOM 0 HD3 ARG A 71 7.760 4.968 4.806 1.00 0.00 H new ATOM 0 HE ARG A 71 9.555 3.345 4.282 1.00 0.00 H new ATOM 0 HH11 ARG A 71 8.976 3.271 7.400 1.00 0.00 H new ATOM 0 HH12 ARG A 71 10.629 3.081 7.995 1.00 0.00 H new ATOM 0 HH21 ARG A 71 12.082 3.985 4.935 1.00 0.00 H new ATOM 0 HH22 ARG A 71 12.383 3.484 6.602 1.00 0.00 H new ATOM 1143 N PRO A 72 7.261 9.392 2.750 1.00 0.00 N ATOM 1144 CA PRO A 72 7.132 9.760 1.332 1.00 0.00 C ATOM 1145 C PRO A 72 7.477 11.247 1.154 1.00 0.00 C ATOM 1146 O PRO A 72 6.762 12.111 1.623 1.00 0.00 O ATOM 1147 CB PRO A 72 5.648 9.528 1.081 1.00 0.00 C ATOM 1148 CG PRO A 72 4.981 9.680 2.425 1.00 0.00 C ATOM 1149 CD PRO A 72 6.061 9.803 3.473 1.00 0.00 C ATOM 0 HA PRO A 72 7.784 9.204 0.659 1.00 0.00 H new ATOM 0 HB2 PRO A 72 5.254 10.249 0.364 1.00 0.00 H new ATOM 0 HB3 PRO A 72 5.471 8.536 0.665 1.00 0.00 H new ATOM 0 HG2 PRO A 72 4.340 10.561 2.434 1.00 0.00 H new ATOM 0 HG3 PRO A 72 4.344 8.820 2.633 1.00 0.00 H new ATOM 0 HD2 PRO A 72 6.145 10.822 3.850 1.00 0.00 H new ATOM 0 HD3 PRO A 72 5.866 9.161 4.332 1.00 0.00 H new ATOM 1157 N ALA A 73 8.564 11.561 0.500 1.00 0.00 N ATOM 1158 CA ALA A 73 8.931 13.006 0.332 1.00 0.00 C ATOM 1159 C ALA A 73 8.136 13.676 -0.795 1.00 0.00 C ATOM 1160 O ALA A 73 8.029 14.885 -0.852 1.00 0.00 O ATOM 1161 CB ALA A 73 10.428 13.013 0.013 1.00 0.00 C ATOM 0 H ALA A 73 9.209 10.893 0.078 1.00 0.00 H new ATOM 0 HA ALA A 73 8.698 13.572 1.234 1.00 0.00 H new ATOM 0 HB1 ALA A 73 10.766 14.040 -0.123 1.00 0.00 H new ATOM 0 HB2 ALA A 73 10.978 12.556 0.836 1.00 0.00 H new ATOM 0 HB3 ALA A 73 10.608 12.448 -0.902 1.00 0.00 H new ATOM 1167 N TRP A 74 7.590 12.908 -1.687 1.00 0.00 N ATOM 1168 CA TRP A 74 6.810 13.482 -2.816 1.00 0.00 C ATOM 1169 C TRP A 74 5.379 13.806 -2.369 1.00 0.00 C ATOM 1170 O TRP A 74 4.799 14.794 -2.775 1.00 0.00 O ATOM 1171 CB TRP A 74 6.806 12.370 -3.867 1.00 0.00 C ATOM 1172 CG TRP A 74 8.213 11.917 -4.139 1.00 0.00 C ATOM 1173 CD1 TRP A 74 8.934 11.057 -3.376 1.00 0.00 C ATOM 1174 CD2 TRP A 74 9.072 12.301 -5.236 1.00 0.00 C ATOM 1175 NE1 TRP A 74 10.179 10.888 -3.954 1.00 0.00 N ATOM 1176 CE2 TRP A 74 10.311 11.636 -5.106 1.00 0.00 C ATOM 1177 CE3 TRP A 74 8.886 13.154 -6.322 1.00 0.00 C ATOM 1178 CZ2 TRP A 74 11.336 11.817 -6.037 1.00 0.00 C ATOM 1179 CZ3 TRP A 74 9.909 13.347 -7.264 1.00 0.00 C ATOM 1180 CH2 TRP A 74 11.134 12.676 -7.121 1.00 0.00 C ATOM 0 H TRP A 74 7.651 11.890 -1.684 1.00 0.00 H new ATOM 0 HA TRP A 74 7.235 14.413 -3.191 1.00 0.00 H new ATOM 0 HB2 TRP A 74 6.206 11.530 -3.518 1.00 0.00 H new ATOM 0 HB3 TRP A 74 6.346 12.730 -4.788 1.00 0.00 H new ATOM 0 HD1 TRP A 74 8.592 10.583 -2.468 1.00 0.00 H new ATOM 0 HE1 TRP A 74 10.909 10.285 -3.576 1.00 0.00 H new ATOM 0 HE3 TRP A 74 7.946 13.672 -6.440 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 12.276 11.298 -5.921 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 9.753 14.013 -8.100 1.00 0.00 H new ATOM 0 HH2 TRP A 74 11.919 12.823 -7.848 1.00 0.00 H new ATOM 1191 N MET A 75 4.811 12.968 -1.538 1.00 0.00 N ATOM 1192 CA MET A 75 3.414 13.197 -1.051 1.00 0.00 C ATOM 1193 C MET A 75 3.106 12.236 0.104 1.00 0.00 C ATOM 1194 O MET A 75 3.345 11.051 -0.013 1.00 0.00 O ATOM 1195 CB MET A 75 2.511 12.896 -2.252 1.00 0.00 C ATOM 1196 CG MET A 75 1.246 13.755 -2.170 1.00 0.00 C ATOM 1197 SD MET A 75 0.337 13.638 -3.732 1.00 0.00 S ATOM 1198 CE MET A 75 1.403 14.734 -4.700 1.00 0.00 C ATOM 0 H MET A 75 5.259 12.128 -1.173 1.00 0.00 H new ATOM 0 HA MET A 75 3.265 14.211 -0.681 1.00 0.00 H new ATOM 0 HB2 MET A 75 3.043 13.102 -3.181 1.00 0.00 H new ATOM 0 HB3 MET A 75 2.245 11.839 -2.264 1.00 0.00 H new ATOM 0 HG2 MET A 75 0.618 13.419 -1.345 1.00 0.00 H new ATOM 0 HG3 MET A 75 1.510 14.793 -1.967 1.00 0.00 H new ATOM 0 HE1 MET A 75 0.805 15.539 -5.127 1.00 0.00 H new ATOM 0 HE2 MET A 75 2.173 15.156 -4.054 1.00 0.00 H new ATOM 0 HE3 MET A 75 1.874 14.167 -5.503 1.00 0.00 H new ATOM 1208 N PRO A 76 2.586 12.769 1.182 1.00 0.00 N ATOM 1209 CA PRO A 76 2.246 11.933 2.358 1.00 0.00 C ATOM 1210 C PRO A 76 0.829 11.377 2.267 1.00 0.00 C ATOM 1211 O PRO A 76 0.117 11.631 1.313 1.00 0.00 O ATOM 1212 CB PRO A 76 2.392 12.915 3.516 1.00 0.00 C ATOM 1213 CG PRO A 76 2.185 14.286 2.928 1.00 0.00 C ATOM 1214 CD PRO A 76 2.277 14.178 1.422 1.00 0.00 C ATOM 0 HA PRO A 76 2.878 11.051 2.456 1.00 0.00 H new ATOM 0 HB2 PRO A 76 1.658 12.710 4.296 1.00 0.00 H new ATOM 0 HB3 PRO A 76 3.377 12.832 3.975 1.00 0.00 H new ATOM 0 HG2 PRO A 76 1.213 14.682 3.221 1.00 0.00 H new ATOM 0 HG3 PRO A 76 2.938 14.978 3.305 1.00 0.00 H new ATOM 0 HD2 PRO A 76 1.341 14.468 0.944 1.00 0.00 H new ATOM 0 HD3 PRO A 76 3.054 14.830 1.023 1.00 0.00 H new ATOM 1222 N GLU A 77 0.403 10.611 3.253 1.00 0.00 N ATOM 1223 CA GLU A 77 -0.980 10.065 3.167 1.00 0.00 C ATOM 1224 C GLU A 77 -1.968 11.042 3.790 1.00 0.00 C ATOM 1225 O GLU A 77 -3.123 10.728 3.949 1.00 0.00 O ATOM 1226 CB GLU A 77 -0.965 8.723 3.910 1.00 0.00 C ATOM 1227 CG GLU A 77 -1.979 7.761 3.295 1.00 0.00 C ATOM 1228 CD GLU A 77 -2.324 6.666 4.310 1.00 0.00 C ATOM 1229 OE1 GLU A 77 -1.494 5.799 4.519 1.00 0.00 O ATOM 1230 OE2 GLU A 77 -3.411 6.712 4.861 1.00 0.00 O ATOM 0 H GLU A 77 0.938 10.352 4.082 1.00 0.00 H new ATOM 0 HA GLU A 77 -1.295 9.920 2.133 1.00 0.00 H new ATOM 0 HB2 GLU A 77 0.033 8.287 3.865 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -1.197 8.881 4.963 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -2.880 8.301 3.006 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -1.570 7.316 2.388 1.00 0.00 H new ATOM 1237 N LYS A 78 -1.533 12.237 4.120 1.00 0.00 N ATOM 1238 CA LYS A 78 -2.484 13.227 4.720 1.00 0.00 C ATOM 1239 C LYS A 78 -3.035 14.076 3.603 1.00 0.00 C ATOM 1240 O LYS A 78 -2.544 15.159 3.337 1.00 0.00 O ATOM 1241 CB LYS A 78 -1.646 14.090 5.679 1.00 0.00 C ATOM 1242 CG LYS A 78 -2.569 14.990 6.509 1.00 0.00 C ATOM 1243 CD LYS A 78 -3.507 14.127 7.356 1.00 0.00 C ATOM 1244 CE LYS A 78 -4.002 14.935 8.560 1.00 0.00 C ATOM 1245 NZ LYS A 78 -4.757 13.958 9.396 1.00 0.00 N ATOM 0 H LYS A 78 -0.575 12.566 4.002 1.00 0.00 H new ATOM 0 HA LYS A 78 -3.313 12.755 5.248 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -1.057 13.451 6.338 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -0.942 14.699 5.113 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -1.976 15.640 7.153 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -3.149 15.637 5.851 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -4.354 13.795 6.755 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -2.986 13.232 7.695 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -3.169 15.368 9.114 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -4.640 15.761 8.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -4.893 14.350 10.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -5.684 13.773 8.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -4.221 13.069 9.460 1.00 0.00 H new ATOM 1259 N ILE A 79 -4.034 13.592 2.919 1.00 0.00 N ATOM 1260 CA ILE A 79 -4.572 14.411 1.781 1.00 0.00 C ATOM 1261 C ILE A 79 -5.737 13.731 1.073 1.00 0.00 C ATOM 1262 O ILE A 79 -5.903 12.531 1.144 1.00 0.00 O ATOM 1263 CB ILE A 79 -3.377 14.586 0.807 1.00 0.00 C ATOM 1264 CG1 ILE A 79 -3.865 14.671 -0.648 1.00 0.00 C ATOM 1265 CG2 ILE A 79 -2.386 13.407 0.935 1.00 0.00 C ATOM 1266 CD1 ILE A 79 -2.682 14.971 -1.572 1.00 0.00 C ATOM 0 H ILE A 79 -4.493 12.696 3.085 1.00 0.00 H new ATOM 0 HA ILE A 79 -4.965 15.361 2.143 1.00 0.00 H new ATOM 0 HB ILE A 79 -2.872 15.514 1.074 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -4.337 13.733 -0.939 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -4.620 15.451 -0.743 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -1.557 13.552 0.243 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -2.004 13.362 1.955 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -2.898 12.474 0.698 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -3.031 15.031 -2.603 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -2.229 15.921 -1.287 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -1.942 14.176 -1.485 1.00 0.00 H new ATOM 1278 N SER A 80 -6.480 14.494 0.308 1.00 0.00 N ATOM 1279 CA SER A 80 -7.586 13.900 -0.507 1.00 0.00 C ATOM 1280 C SER A 80 -6.888 13.133 -1.621 1.00 0.00 C ATOM 1281 O SER A 80 -6.302 13.722 -2.511 1.00 0.00 O ATOM 1282 CB SER A 80 -8.387 15.081 -1.071 1.00 0.00 C ATOM 1283 OG SER A 80 -8.397 16.148 -0.129 1.00 0.00 O ATOM 0 H SER A 80 -6.368 15.503 0.213 1.00 0.00 H new ATOM 0 HA SER A 80 -8.257 13.242 0.044 1.00 0.00 H new ATOM 0 HB2 SER A 80 -7.946 15.416 -2.010 1.00 0.00 H new ATOM 0 HB3 SER A 80 -9.408 14.768 -1.292 1.00 0.00 H new ATOM 0 HG SER A 80 -8.908 16.901 -0.493 1.00 0.00 H new ATOM 1289 N LYS A 81 -6.861 11.829 -1.541 1.00 0.00 N ATOM 1290 CA LYS A 81 -6.094 11.051 -2.557 1.00 0.00 C ATOM 1291 C LYS A 81 -6.475 9.583 -2.415 1.00 0.00 C ATOM 1292 O LYS A 81 -7.544 9.300 -1.959 1.00 0.00 O ATOM 1293 CB LYS A 81 -4.625 11.331 -2.197 1.00 0.00 C ATOM 1294 CG LYS A 81 -4.258 10.611 -0.896 1.00 0.00 C ATOM 1295 CD LYS A 81 -2.739 10.451 -0.808 1.00 0.00 C ATOM 1296 CE LYS A 81 -2.391 9.382 0.234 1.00 0.00 C ATOM 1297 NZ LYS A 81 -2.577 8.074 -0.459 1.00 0.00 N ATOM 0 H LYS A 81 -7.331 11.274 -0.825 1.00 0.00 H new ATOM 0 HA LYS A 81 -6.290 11.319 -3.595 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -3.974 10.995 -3.004 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -4.467 12.404 -2.086 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -4.624 11.177 -0.040 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -4.739 9.634 -0.861 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -2.337 10.169 -1.781 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -2.279 11.401 -0.536 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -1.366 9.497 0.587 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -3.039 9.459 1.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -2.065 7.331 0.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -3.590 7.839 -0.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -2.206 8.139 -1.428 1.00 0.00 H new ATOM 1311 N PRO A 82 -5.632 8.677 -2.809 1.00 0.00 N ATOM 1312 CA PRO A 82 -6.003 7.272 -2.641 1.00 0.00 C ATOM 1313 C PRO A 82 -5.858 6.868 -1.160 1.00 0.00 C ATOM 1314 O PRO A 82 -4.824 7.106 -0.551 1.00 0.00 O ATOM 1315 CB PRO A 82 -5.006 6.522 -3.515 1.00 0.00 C ATOM 1316 CG PRO A 82 -3.822 7.424 -3.601 1.00 0.00 C ATOM 1317 CD PRO A 82 -4.317 8.834 -3.434 1.00 0.00 C ATOM 0 HA PRO A 82 -7.035 7.060 -2.921 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -4.740 5.560 -3.076 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -5.420 6.318 -4.502 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -3.095 7.178 -2.827 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -3.318 7.305 -4.560 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -3.645 9.421 -2.808 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -4.390 9.348 -4.393 1.00 0.00 H new ATOM 1325 N PHE A 83 -6.880 6.269 -0.569 1.00 0.00 N ATOM 1326 CA PHE A 83 -6.772 5.855 0.859 1.00 0.00 C ATOM 1327 C PHE A 83 -5.711 4.791 0.994 1.00 0.00 C ATOM 1328 O PHE A 83 -5.402 4.072 0.060 1.00 0.00 O ATOM 1329 CB PHE A 83 -8.098 5.193 1.248 1.00 0.00 C ATOM 1330 CG PHE A 83 -9.091 6.186 1.791 1.00 0.00 C ATOM 1331 CD1 PHE A 83 -8.667 7.432 2.252 1.00 0.00 C ATOM 1332 CD2 PHE A 83 -10.455 5.858 1.820 1.00 0.00 C ATOM 1333 CE1 PHE A 83 -9.587 8.338 2.734 1.00 0.00 C ATOM 1334 CE2 PHE A 83 -11.376 6.786 2.298 1.00 0.00 C ATOM 1335 CZ PHE A 83 -10.927 8.027 2.753 1.00 0.00 C ATOM 0 H PHE A 83 -7.771 6.056 -1.018 1.00 0.00 H new ATOM 0 HA PHE A 83 -6.536 6.721 1.478 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -8.523 4.696 0.376 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -7.912 4.422 1.996 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -7.618 7.687 2.231 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -10.788 4.891 1.473 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -9.254 9.298 3.099 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -12.429 6.548 2.317 1.00 0.00 H new ATOM 0 HZ PHE A 83 -11.639 8.750 3.124 1.00 0.00 H new ATOM 1345 N VAL A 84 -5.188 4.663 2.161 1.00 0.00 N ATOM 1346 CA VAL A 84 -4.173 3.626 2.407 1.00 0.00 C ATOM 1347 C VAL A 84 -4.229 3.217 3.879 1.00 0.00 C ATOM 1348 O VAL A 84 -3.614 3.829 4.729 1.00 0.00 O ATOM 1349 CB VAL A 84 -2.796 4.225 2.061 1.00 0.00 C ATOM 1350 CG1 VAL A 84 -2.085 3.307 1.065 1.00 0.00 C ATOM 1351 CG2 VAL A 84 -2.938 5.608 1.430 1.00 0.00 C ATOM 0 H VAL A 84 -5.422 5.240 2.969 1.00 0.00 H new ATOM 0 HA VAL A 84 -4.352 2.742 1.795 1.00 0.00 H new ATOM 0 HB VAL A 84 -2.223 4.316 2.984 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -1.110 3.726 0.816 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -1.954 2.320 1.509 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -2.684 3.220 0.159 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -1.950 6.005 1.197 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -3.524 5.532 0.514 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -3.442 6.276 2.128 1.00 0.00 H new ATOM 1361 N LYS A 85 -4.936 2.166 4.194 1.00 0.00 N ATOM 1362 CA LYS A 85 -4.970 1.724 5.625 1.00 0.00 C ATOM 1363 C LYS A 85 -3.619 1.086 5.896 1.00 0.00 C ATOM 1364 O LYS A 85 -3.162 0.304 5.108 1.00 0.00 O ATOM 1365 CB LYS A 85 -6.106 0.717 5.748 1.00 0.00 C ATOM 1366 CG LYS A 85 -7.176 1.269 6.696 1.00 0.00 C ATOM 1367 CD LYS A 85 -8.266 1.982 5.888 1.00 0.00 C ATOM 1368 CE LYS A 85 -8.444 3.412 6.411 1.00 0.00 C ATOM 1369 NZ LYS A 85 -7.444 4.239 5.668 1.00 0.00 N ATOM 0 H LYS A 85 -5.482 1.602 3.542 1.00 0.00 H new ATOM 0 HA LYS A 85 -5.141 2.530 6.339 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -6.540 0.520 4.768 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -5.726 -0.232 6.125 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -7.613 0.458 7.278 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -6.724 1.962 7.406 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -7.996 2.002 4.832 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -9.206 1.436 5.966 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -9.458 3.771 6.234 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -8.272 3.461 7.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -6.874 4.786 6.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -6.821 3.616 5.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -7.940 4.891 5.027 1.00 0.00 H new ATOM 1383 N LYS A 86 -2.960 1.470 6.953 1.00 0.00 N ATOM 1384 CA LYS A 86 -1.591 0.964 7.222 1.00 0.00 C ATOM 1385 C LYS A 86 -1.541 -0.173 8.234 1.00 0.00 C ATOM 1386 O LYS A 86 -1.380 0.016 9.426 1.00 0.00 O ATOM 1387 CB LYS A 86 -0.805 2.182 7.739 1.00 0.00 C ATOM 1388 CG LYS A 86 -1.529 2.832 8.926 1.00 0.00 C ATOM 1389 CD LYS A 86 -2.161 4.156 8.476 1.00 0.00 C ATOM 1390 CE LYS A 86 -3.515 4.345 9.168 1.00 0.00 C ATOM 1391 NZ LYS A 86 -3.194 4.863 10.533 1.00 0.00 N ATOM 0 H LYS A 86 -3.319 2.122 7.650 1.00 0.00 H new ATOM 0 HA LYS A 86 -1.170 0.536 6.312 1.00 0.00 H new ATOM 0 HB2 LYS A 86 0.196 1.873 8.042 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -0.685 2.910 6.937 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -2.298 2.161 9.309 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -0.827 3.010 9.741 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -1.499 4.987 8.719 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -2.292 4.158 7.394 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -4.142 5.047 8.619 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -4.063 3.404 9.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -4.076 5.015 11.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -2.603 4.171 11.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -2.680 5.763 10.451 1.00 0.00 H new ATOM 1405 N GLU A 87 -1.594 -1.350 7.727 1.00 0.00 N ATOM 1406 CA GLU A 87 -1.456 -2.560 8.588 1.00 0.00 C ATOM 1407 C GLU A 87 0.051 -2.898 8.680 1.00 0.00 C ATOM 1408 O GLU A 87 0.835 -2.572 7.783 1.00 0.00 O ATOM 1409 CB GLU A 87 -2.253 -3.670 7.902 1.00 0.00 C ATOM 1410 CG GLU A 87 -3.719 -3.589 8.334 1.00 0.00 C ATOM 1411 CD GLU A 87 -4.515 -4.713 7.674 1.00 0.00 C ATOM 1412 OE1 GLU A 87 -4.275 -5.861 8.005 1.00 0.00 O ATOM 1413 OE2 GLU A 87 -5.357 -4.405 6.846 1.00 0.00 O ATOM 0 H GLU A 87 -1.729 -1.544 6.735 1.00 0.00 H new ATOM 0 HA GLU A 87 -1.834 -2.420 9.601 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -2.176 -3.571 6.819 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -1.839 -4.644 8.163 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -3.793 -3.667 9.419 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -4.137 -2.622 8.055 1.00 0.00 H new ATOM 1420 N ARG A 88 0.468 -3.514 9.762 1.00 0.00 N ATOM 1421 CA ARG A 88 1.929 -3.803 9.961 1.00 0.00 C ATOM 1422 C ARG A 88 2.539 -4.595 8.803 1.00 0.00 C ATOM 1423 O ARG A 88 2.188 -5.726 8.534 1.00 0.00 O ATOM 1424 CB ARG A 88 2.004 -4.619 11.257 1.00 0.00 C ATOM 1425 CG ARG A 88 3.470 -4.893 11.611 1.00 0.00 C ATOM 1426 CD ARG A 88 4.088 -3.646 12.254 1.00 0.00 C ATOM 1427 NE ARG A 88 5.551 -3.742 11.968 1.00 0.00 N ATOM 1428 CZ ARG A 88 6.415 -3.495 12.912 1.00 0.00 C ATOM 1429 NH1 ARG A 88 6.633 -2.264 13.293 1.00 0.00 N ATOM 1430 NH2 ARG A 88 7.056 -4.484 13.472 1.00 0.00 N ATOM 0 H ARG A 88 -0.140 -3.830 10.518 1.00 0.00 H new ATOM 0 HA ARG A 88 2.497 -2.874 10.009 1.00 0.00 H new ATOM 0 HB2 ARG A 88 1.519 -4.076 12.068 1.00 0.00 H new ATOM 0 HB3 ARG A 88 1.467 -5.560 11.137 1.00 0.00 H new ATOM 0 HG2 ARG A 88 3.537 -5.738 12.296 1.00 0.00 H new ATOM 0 HG3 ARG A 88 4.026 -5.165 10.714 1.00 0.00 H new ATOM 0 HD2 ARG A 88 3.664 -2.735 11.833 1.00 0.00 H new ATOM 0 HD3 ARG A 88 3.897 -3.621 13.327 1.00 0.00 H new ATOM 0 HE ARG A 88 5.873 -4.000 11.035 1.00 0.00 H new ATOM 0 HH11 ARG A 88 6.127 -1.496 12.852 1.00 0.00 H new ATOM 0 HH12 ARG A 88 7.309 -2.071 14.032 1.00 0.00 H new ATOM 0 HH21 ARG A 88 6.879 -5.442 13.170 1.00 0.00 H new ATOM 0 HH22 ARG A 88 7.734 -4.299 14.211 1.00 0.00 H new ATOM 1444 N ILE A 89 3.481 -3.973 8.135 1.00 0.00 N ATOM 1445 CA ILE A 89 4.182 -4.615 6.986 1.00 0.00 C ATOM 1446 C ILE A 89 5.332 -5.501 7.487 1.00 0.00 C ATOM 1447 O ILE A 89 6.063 -5.134 8.390 1.00 0.00 O ATOM 1448 CB ILE A 89 4.748 -3.436 6.175 1.00 0.00 C ATOM 1449 CG1 ILE A 89 3.601 -2.588 5.612 1.00 0.00 C ATOM 1450 CG2 ILE A 89 5.613 -3.955 5.020 1.00 0.00 C ATOM 1451 CD1 ILE A 89 4.065 -1.138 5.456 1.00 0.00 C ATOM 0 H ILE A 89 3.798 -3.027 8.346 1.00 0.00 H new ATOM 0 HA ILE A 89 3.518 -5.251 6.401 1.00 0.00 H new ATOM 0 HB ILE A 89 5.362 -2.823 6.835 1.00 0.00 H new ATOM 0 HG12 ILE A 89 3.281 -2.984 4.648 1.00 0.00 H new ATOM 0 HG13 ILE A 89 2.739 -2.635 6.278 1.00 0.00 H new ATOM 0 HG21 ILE A 89 6.008 -3.112 4.454 1.00 0.00 H new ATOM 0 HG22 ILE A 89 6.440 -4.542 5.420 1.00 0.00 H new ATOM 0 HG23 ILE A 89 5.007 -4.581 4.364 1.00 0.00 H new ATOM 0 HD11 ILE A 89 3.249 -0.536 5.056 1.00 0.00 H new ATOM 0 HD12 ILE A 89 4.363 -0.745 6.428 1.00 0.00 H new ATOM 0 HD13 ILE A 89 4.914 -1.099 4.773 1.00 0.00 H new