USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 579 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 58 GLN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Set 1.2: A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 ASN : amide:sc= -0.522 X(o=-0.52,f=-0.095) USER MOD Single : A 1 ASN N :NH3+ 179:sc= -0.361 (180deg=-0.381) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 130:sc= -0.477 USER MOD Single : A 12 GLN : amide:sc= -0.552 K(o=-0.55,f=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= -2.1! C(o=-2.1!,f=-5.1!) USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=-0.068) USER MOD Single : A 27 LYS NZ :NH3+ -152:sc= -0.122 (180deg=-0.538) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 HIS : no HE2:sc= -1.81 K(o=-1.8,f=-5.5!) USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.0549 USER MOD Single : A 41 THR OG1 : rot 61:sc= 1.82 USER MOD Single : A 42 LYS NZ :NH3+ 155:sc= 0.301 (180deg=0.0717) USER MOD Single : A 43 TYR OH : rot -98:sc= -0.576 USER MOD Single : A 45 GLN : amide:sc= -4.01! C(o=-4!,f=-2.1!) USER MOD Single : A 49 GLN : amide:sc= -1.89 K(o=-1.9,f=-3.1) USER MOD Single : A 52 THR OG1 : rot 63:sc= -0.109 USER MOD Single : A 54 HIS : no HD1:sc= -0.273 K(o=-0.27,f=-1.2) USER MOD Single : A 56 HIS : no HD1:sc= -0.478 X(o=-0.48,f=-0.17) USER MOD Single : A 57 GLN : amide:sc= -2.32 X(o=-2.3,f=-2.3) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 HIS : no HD1:sc= -0.486 K(o=-0.49,f=-3.1) USER MOD Single : A 75 SER OG : rot -44:sc= 0.961 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 -8.816 -10.707 -7.391 1.00 0.00 N ATOM 2 CA ASN A 1 -10.042 -11.392 -7.893 1.00 0.00 C ATOM 3 C ASN A 1 -10.377 -10.853 -9.287 1.00 0.00 C ATOM 4 O ASN A 1 -9.583 -10.128 -9.887 1.00 0.00 O ATOM 5 CB ASN A 1 -11.207 -11.125 -6.910 1.00 0.00 C ATOM 6 CG ASN A 1 -10.846 -11.626 -5.511 1.00 0.00 C ATOM 7 OD1 ASN A 1 -11.173 -10.980 -4.515 1.00 0.00 O ATOM 8 ND2 ASN A 1 -10.188 -12.747 -5.378 1.00 0.00 N ATOM 0 H1 ASN A 1 -8.590 -11.054 -6.437 1.00 0.00 H new ATOM 0 H2 ASN A 1 -8.020 -10.907 -8.030 1.00 0.00 H new ATOM 0 H3 ASN A 1 -8.982 -9.681 -7.355 1.00 0.00 H new ATOM 0 HA ASN A 1 -9.879 -12.468 -7.960 1.00 0.00 H new ATOM 0 HB2 ASN A 1 -11.426 -10.058 -6.876 1.00 0.00 H new ATOM 0 HB3 ASN A 1 -12.110 -11.625 -7.261 1.00 0.00 H new ATOM 0 HD21 ASN A 1 -9.944 -13.088 -4.448 1.00 0.00 H new ATOM 0 HD22 ASN A 1 -9.918 -13.281 -6.204 1.00 0.00 H new ATOM 17 N THR A 2 -11.566 -11.213 -9.797 1.00 0.00 N ATOM 18 CA THR A 2 -12.011 -10.759 -11.123 1.00 0.00 C ATOM 19 C THR A 2 -12.179 -9.234 -11.141 1.00 0.00 C ATOM 20 O THR A 2 -11.720 -8.558 -12.063 1.00 0.00 O ATOM 21 CB THR A 2 -13.351 -11.451 -11.489 1.00 0.00 C ATOM 22 OG1 THR A 2 -13.221 -12.851 -11.283 1.00 0.00 O ATOM 23 CG2 THR A 2 -13.731 -11.187 -12.968 1.00 0.00 C ATOM 0 H THR A 2 -12.233 -11.814 -9.313 1.00 0.00 H new ATOM 0 HA THR A 2 -11.255 -11.029 -11.861 1.00 0.00 H new ATOM 0 HB THR A 2 -14.137 -11.042 -10.854 1.00 0.00 H new ATOM 0 HG1 THR A 2 -14.065 -13.295 -11.511 1.00 0.00 H new ATOM 0 HG21 THR A 2 -14.674 -11.684 -13.196 1.00 0.00 H new ATOM 0 HG22 THR A 2 -13.838 -10.114 -13.130 1.00 0.00 H new ATOM 0 HG23 THR A 2 -12.949 -11.577 -13.620 1.00 0.00 H new ATOM 31 N VAL A 3 -12.864 -8.701 -10.115 1.00 0.00 N ATOM 32 CA VAL A 3 -13.115 -7.258 -10.020 1.00 0.00 C ATOM 33 C VAL A 3 -11.782 -6.508 -9.908 1.00 0.00 C ATOM 34 O VAL A 3 -11.558 -5.521 -10.608 1.00 0.00 O ATOM 35 CB VAL A 3 -14.014 -6.958 -8.776 1.00 0.00 C ATOM 36 CG1 VAL A 3 -14.352 -5.433 -8.683 1.00 0.00 C ATOM 37 CG2 VAL A 3 -15.333 -7.776 -8.870 1.00 0.00 C ATOM 0 H VAL A 3 -13.251 -9.247 -9.345 1.00 0.00 H new ATOM 0 HA VAL A 3 -13.634 -6.921 -10.917 1.00 0.00 H new ATOM 0 HB VAL A 3 -13.464 -7.247 -7.880 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -14.978 -5.252 -7.809 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -13.429 -4.861 -8.593 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -14.885 -5.123 -9.582 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -15.956 -7.563 -8.001 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -15.869 -7.498 -9.777 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -15.100 -8.840 -8.898 1.00 0.00 H new ATOM 47 N ASP A 4 -10.910 -6.984 -9.007 1.00 0.00 N ATOM 48 CA ASP A 4 -9.599 -6.357 -8.783 1.00 0.00 C ATOM 49 C ASP A 4 -9.760 -4.847 -8.517 1.00 0.00 C ATOM 50 O ASP A 4 -9.863 -4.060 -9.462 1.00 0.00 O ATOM 51 CB ASP A 4 -8.688 -6.596 -10.014 1.00 0.00 C ATOM 52 CG ASP A 4 -7.264 -6.073 -9.761 1.00 0.00 C ATOM 53 OD1 ASP A 4 -6.724 -6.380 -8.710 1.00 0.00 O ATOM 54 OD2 ASP A 4 -6.745 -5.368 -10.611 1.00 0.00 O ATOM 0 H ASP A 4 -11.089 -7.800 -8.422 1.00 0.00 H new ATOM 0 HA ASP A 4 -9.136 -6.809 -7.906 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -8.652 -7.661 -10.242 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -9.112 -6.098 -10.886 1.00 0.00 H new ATOM 59 N ASP A 5 -9.794 -4.455 -7.237 1.00 0.00 N ATOM 60 CA ASP A 5 -9.958 -3.043 -6.861 1.00 0.00 C ATOM 61 C ASP A 5 -9.302 -2.765 -5.502 1.00 0.00 C ATOM 62 O ASP A 5 -9.768 -1.907 -4.748 1.00 0.00 O ATOM 63 CB ASP A 5 -11.472 -2.711 -6.817 1.00 0.00 C ATOM 64 CG ASP A 5 -12.185 -3.614 -5.800 1.00 0.00 C ATOM 65 OD1 ASP A 5 -11.952 -4.811 -5.838 1.00 0.00 O ATOM 66 OD2 ASP A 5 -12.934 -3.092 -4.990 1.00 0.00 O ATOM 0 H ASP A 5 -9.710 -5.093 -6.446 1.00 0.00 H new ATOM 0 HA ASP A 5 -9.467 -2.409 -7.600 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -11.614 -1.665 -6.547 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -11.910 -2.848 -7.806 1.00 0.00 H new ATOM 71 N ILE A 6 -8.209 -3.485 -5.202 1.00 0.00 N ATOM 72 CA ILE A 6 -7.466 -3.320 -3.932 1.00 0.00 C ATOM 73 C ILE A 6 -6.236 -2.439 -4.170 1.00 0.00 C ATOM 74 O ILE A 6 -5.890 -1.605 -3.331 1.00 0.00 O ATOM 75 CB ILE A 6 -7.047 -4.727 -3.385 1.00 0.00 C ATOM 76 CG1 ILE A 6 -8.328 -5.622 -3.210 1.00 0.00 C ATOM 77 CG2 ILE A 6 -6.318 -4.579 -2.002 1.00 0.00 C ATOM 78 CD1 ILE A 6 -7.952 -7.078 -2.858 1.00 0.00 C ATOM 0 H ILE A 6 -7.815 -4.192 -5.823 1.00 0.00 H new ATOM 0 HA ILE A 6 -8.101 -2.835 -3.191 1.00 0.00 H new ATOM 0 HB ILE A 6 -6.365 -5.194 -4.095 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -8.959 -5.207 -2.424 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -8.913 -5.607 -4.130 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -6.033 -5.564 -1.634 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -5.426 -3.965 -2.125 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -6.989 -4.105 -1.286 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -8.860 -7.671 -2.744 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -7.342 -7.499 -3.657 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -7.389 -7.093 -1.925 1.00 0.00 H new ATOM 90 N SER A 7 -5.566 -2.649 -5.310 1.00 0.00 N ATOM 91 CA SER A 7 -4.352 -1.891 -5.658 1.00 0.00 C ATOM 92 C SER A 7 -4.691 -0.446 -6.043 1.00 0.00 C ATOM 93 O SER A 7 -3.831 0.287 -6.533 1.00 0.00 O ATOM 94 CB SER A 7 -3.615 -2.601 -6.814 1.00 0.00 C ATOM 95 OG SER A 7 -3.299 -3.930 -6.412 1.00 0.00 O ATOM 0 H SER A 7 -5.843 -3.338 -6.010 1.00 0.00 H new ATOM 0 HA SER A 7 -3.702 -1.854 -4.784 1.00 0.00 H new ATOM 0 HB2 SER A 7 -4.240 -2.616 -7.707 1.00 0.00 H new ATOM 0 HB3 SER A 7 -2.705 -2.058 -7.071 1.00 0.00 H new ATOM 0 HG SER A 7 -2.832 -4.390 -7.141 1.00 0.00 H new ATOM 101 N GLU A 8 -5.941 -0.034 -5.804 1.00 0.00 N ATOM 102 CA GLU A 8 -6.389 1.338 -6.117 1.00 0.00 C ATOM 103 C GLU A 8 -5.589 2.367 -5.311 1.00 0.00 C ATOM 104 O GLU A 8 -5.178 3.395 -5.845 1.00 0.00 O ATOM 105 CB GLU A 8 -7.901 1.462 -5.785 1.00 0.00 C ATOM 106 CG GLU A 8 -8.751 0.542 -6.708 1.00 0.00 C ATOM 107 CD GLU A 8 -8.731 1.032 -8.167 1.00 0.00 C ATOM 108 OE1 GLU A 8 -9.033 2.195 -8.378 1.00 0.00 O ATOM 109 OE2 GLU A 8 -8.397 0.246 -9.041 1.00 0.00 O ATOM 0 H GLU A 8 -6.664 -0.626 -5.395 1.00 0.00 H new ATOM 0 HA GLU A 8 -6.224 1.536 -7.176 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -8.071 1.194 -4.742 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -8.220 2.498 -5.904 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -8.367 -0.477 -6.660 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -9.779 0.513 -6.347 1.00 0.00 H new ATOM 116 N SER A 9 -5.377 2.085 -4.022 1.00 0.00 N ATOM 117 CA SER A 9 -4.619 2.994 -3.146 1.00 0.00 C ATOM 118 C SER A 9 -3.157 3.026 -3.576 1.00 0.00 C ATOM 119 O SER A 9 -2.553 4.088 -3.687 1.00 0.00 O ATOM 120 CB SER A 9 -4.728 2.512 -1.701 1.00 0.00 C ATOM 121 OG SER A 9 -3.966 1.323 -1.540 1.00 0.00 O ATOM 0 H SER A 9 -5.716 1.241 -3.561 1.00 0.00 H new ATOM 0 HA SER A 9 -5.031 4.000 -3.222 1.00 0.00 H new ATOM 0 HB2 SER A 9 -4.367 3.283 -1.021 1.00 0.00 H new ATOM 0 HB3 SER A 9 -5.771 2.326 -1.446 1.00 0.00 H new ATOM 0 HG SER A 9 -3.380 1.413 -0.760 1.00 0.00 H new ATOM 127 N LEU A 10 -2.591 1.842 -3.827 1.00 0.00 N ATOM 128 CA LEU A 10 -1.190 1.728 -4.267 1.00 0.00 C ATOM 129 C LEU A 10 -0.964 2.428 -5.606 1.00 0.00 C ATOM 130 O LEU A 10 0.134 2.909 -5.881 1.00 0.00 O ATOM 131 CB LEU A 10 -0.817 0.235 -4.393 1.00 0.00 C ATOM 132 CG LEU A 10 -1.107 -0.528 -3.056 1.00 0.00 C ATOM 133 CD1 LEU A 10 -0.815 -2.033 -3.245 1.00 0.00 C ATOM 134 CD2 LEU A 10 -0.230 0.043 -1.888 1.00 0.00 C ATOM 0 H LEU A 10 -3.076 0.950 -3.735 1.00 0.00 H new ATOM 0 HA LEU A 10 -0.557 2.214 -3.524 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -1.384 -0.218 -5.206 1.00 0.00 H new ATOM 0 HB3 LEU A 10 0.238 0.140 -4.649 1.00 0.00 H new ATOM 0 HG LEU A 10 -2.156 -0.390 -2.796 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -1.017 -2.563 -2.314 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -1.452 -2.431 -4.035 1.00 0.00 H new ATOM 0 HD13 LEU A 10 0.231 -2.169 -3.520 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -0.448 -0.502 -0.969 1.00 0.00 H new ATOM 0 HD22 LEU A 10 0.825 -0.071 -2.136 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -0.457 1.100 -1.746 1.00 0.00 H new ATOM 146 N ARG A 11 -2.005 2.460 -6.443 1.00 0.00 N ATOM 147 CA ARG A 11 -1.914 3.087 -7.768 1.00 0.00 C ATOM 148 C ARG A 11 -1.518 4.559 -7.638 1.00 0.00 C ATOM 149 O ARG A 11 -0.910 5.129 -8.546 1.00 0.00 O ATOM 150 CB ARG A 11 -3.276 2.960 -8.497 1.00 0.00 C ATOM 151 CG ARG A 11 -3.146 3.351 -9.998 1.00 0.00 C ATOM 152 CD ARG A 11 -4.517 3.245 -10.700 1.00 0.00 C ATOM 153 NE ARG A 11 -4.997 1.852 -10.649 1.00 0.00 N ATOM 154 CZ ARG A 11 -4.468 0.874 -11.401 1.00 0.00 C ATOM 155 NH1 ARG A 11 -3.492 1.127 -12.237 1.00 0.00 N ATOM 156 NH2 ARG A 11 -4.929 -0.337 -11.297 1.00 0.00 N ATOM 0 H ARG A 11 -2.919 2.061 -6.229 1.00 0.00 H new ATOM 0 HA ARG A 11 -1.146 2.577 -8.350 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -3.642 1.937 -8.415 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -4.012 3.602 -8.013 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -2.763 4.368 -10.084 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -2.426 2.697 -10.490 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -5.236 3.905 -10.215 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -4.432 3.572 -11.736 1.00 0.00 H new ATOM 0 HE ARG A 11 -5.763 1.622 -10.016 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -3.126 2.075 -12.322 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -3.098 0.376 -12.803 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -5.688 -0.540 -10.647 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -4.531 -1.085 -11.866 1.00 0.00 H new ATOM 170 N GLN A 12 -1.865 5.163 -6.493 1.00 0.00 N ATOM 171 CA GLN A 12 -1.534 6.573 -6.233 1.00 0.00 C ATOM 172 C GLN A 12 -0.020 6.805 -6.429 1.00 0.00 C ATOM 173 O GLN A 12 0.427 7.050 -7.550 1.00 0.00 O ATOM 174 CB GLN A 12 -1.968 6.963 -4.792 1.00 0.00 C ATOM 175 CG GLN A 12 -3.506 6.857 -4.621 1.00 0.00 C ATOM 176 CD GLN A 12 -3.904 7.160 -3.172 1.00 0.00 C ATOM 177 OE1 GLN A 12 -4.153 8.314 -2.824 1.00 0.00 O ATOM 178 NE2 GLN A 12 -3.958 6.188 -2.303 1.00 0.00 N ATOM 0 H GLN A 12 -2.371 4.702 -5.737 1.00 0.00 H new ATOM 0 HA GLN A 12 -2.074 7.204 -6.939 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -1.474 6.311 -4.072 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -1.645 7.981 -4.575 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -4.002 7.555 -5.295 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -3.841 5.857 -4.895 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -3.751 5.232 -2.593 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -4.207 6.384 -1.333 1.00 0.00 H new ATOM 187 N GLY A 13 0.767 6.720 -5.341 1.00 0.00 N ATOM 188 CA GLY A 13 2.218 6.921 -5.425 1.00 0.00 C ATOM 189 C GLY A 13 2.549 8.317 -5.937 1.00 0.00 C ATOM 190 O GLY A 13 3.647 8.548 -6.434 1.00 0.00 O ATOM 0 H GLY A 13 0.423 6.515 -4.403 1.00 0.00 H new ATOM 0 HA2 GLY A 13 2.666 6.775 -4.442 1.00 0.00 H new ATOM 0 HA3 GLY A 13 2.654 6.174 -6.088 1.00 0.00 H new ATOM 194 N GLY A 14 1.560 9.222 -5.847 1.00 0.00 N ATOM 195 CA GLY A 14 1.699 10.606 -6.315 1.00 0.00 C ATOM 196 C GLY A 14 2.716 11.384 -5.479 1.00 0.00 C ATOM 197 O GLY A 14 2.418 12.466 -4.973 1.00 0.00 O ATOM 0 H GLY A 14 0.645 9.013 -5.448 1.00 0.00 H new ATOM 0 HA2 GLY A 14 2.009 10.608 -7.360 1.00 0.00 H new ATOM 0 HA3 GLY A 14 0.731 11.105 -6.269 1.00 0.00 H new ATOM 201 N GLY A 15 3.927 10.828 -5.368 1.00 0.00 N ATOM 202 CA GLY A 15 5.025 11.452 -4.629 1.00 0.00 C ATOM 203 C GLY A 15 4.762 11.473 -3.132 1.00 0.00 C ATOM 204 O GLY A 15 5.468 10.821 -2.357 1.00 0.00 O ATOM 0 H GLY A 15 4.172 9.932 -5.789 1.00 0.00 H new ATOM 0 HA2 GLY A 15 5.950 10.910 -4.827 1.00 0.00 H new ATOM 0 HA3 GLY A 15 5.170 12.472 -4.986 1.00 0.00 H new ATOM 208 N LYS A 16 3.741 12.231 -2.727 1.00 0.00 N ATOM 209 CA LYS A 16 3.374 12.350 -1.303 1.00 0.00 C ATOM 210 C LYS A 16 2.397 11.262 -0.937 1.00 0.00 C ATOM 211 O LYS A 16 1.233 11.359 -1.295 1.00 0.00 O ATOM 212 CB LYS A 16 2.702 13.734 -1.082 1.00 0.00 C ATOM 213 CG LYS A 16 3.718 14.892 -1.328 1.00 0.00 C ATOM 214 CD LYS A 16 4.704 15.026 -0.122 1.00 0.00 C ATOM 215 CE LYS A 16 5.793 16.050 -0.429 1.00 0.00 C ATOM 216 NZ LYS A 16 6.652 16.202 0.774 1.00 0.00 N ATOM 0 H LYS A 16 3.151 12.773 -3.359 1.00 0.00 H new ATOM 0 HA LYS A 16 4.265 12.256 -0.682 1.00 0.00 H new ATOM 0 HB2 LYS A 16 1.852 13.842 -1.756 1.00 0.00 H new ATOM 0 HB3 LYS A 16 2.313 13.796 -0.066 1.00 0.00 H new ATOM 0 HG2 LYS A 16 4.279 14.703 -2.243 1.00 0.00 H new ATOM 0 HG3 LYS A 16 3.181 15.830 -1.471 1.00 0.00 H new ATOM 0 HD2 LYS A 16 4.156 15.327 0.771 1.00 0.00 H new ATOM 0 HD3 LYS A 16 5.157 14.058 0.093 1.00 0.00 H new ATOM 0 HE2 LYS A 16 6.389 15.724 -1.281 1.00 0.00 H new ATOM 0 HE3 LYS A 16 5.347 17.007 -0.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 7.400 16.898 0.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 6.074 16.529 1.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 7.084 15.286 1.010 1.00 0.00 H new ATOM 230 N LEU A 17 2.874 10.255 -0.185 1.00 0.00 N ATOM 231 CA LEU A 17 2.029 9.135 0.258 1.00 0.00 C ATOM 232 C LEU A 17 2.392 8.784 1.688 1.00 0.00 C ATOM 233 O LEU A 17 3.536 8.525 1.987 1.00 0.00 O ATOM 234 CB LEU A 17 2.237 7.877 -0.685 1.00 0.00 C ATOM 235 CG LEU A 17 1.039 7.654 -1.689 1.00 0.00 C ATOM 236 CD1 LEU A 17 -0.312 7.408 -0.931 1.00 0.00 C ATOM 237 CD2 LEU A 17 0.892 8.850 -2.692 1.00 0.00 C ATOM 0 H LEU A 17 3.843 10.195 0.129 1.00 0.00 H new ATOM 0 HA LEU A 17 0.980 9.427 0.206 1.00 0.00 H new ATOM 0 HB2 LEU A 17 3.160 8.003 -1.251 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.359 6.985 -0.070 1.00 0.00 H new ATOM 0 HG LEU A 17 1.274 6.758 -2.264 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.113 7.259 -1.655 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.221 6.522 -0.303 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.542 8.272 -0.308 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.057 8.659 -3.366 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.707 9.770 -2.137 1.00 0.00 H new ATOM 0 HD23 LEU A 17 1.810 8.954 -3.271 1.00 0.00 H new ATOM 249 N ASN A 18 1.387 8.778 2.548 1.00 0.00 N ATOM 250 CA ASN A 18 1.536 8.470 3.968 1.00 0.00 C ATOM 251 C ASN A 18 0.403 7.554 4.370 1.00 0.00 C ATOM 252 O ASN A 18 -0.700 7.683 3.861 1.00 0.00 O ATOM 253 CB ASN A 18 1.483 9.800 4.806 1.00 0.00 C ATOM 254 CG ASN A 18 0.540 10.833 4.162 1.00 0.00 C ATOM 255 OD1 ASN A 18 0.680 11.149 2.978 1.00 0.00 O ATOM 256 ND2 ASN A 18 -0.416 11.381 4.862 1.00 0.00 N ATOM 0 H ASN A 18 0.427 8.990 2.278 1.00 0.00 H new ATOM 0 HA ASN A 18 2.493 7.983 4.155 1.00 0.00 H new ATOM 0 HB2 ASN A 18 1.147 9.580 5.819 1.00 0.00 H new ATOM 0 HB3 ASN A 18 2.485 10.221 4.887 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -1.038 12.063 4.429 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -0.541 11.127 5.842 1.00 0.00 H new ATOM 263 N PHE A 19 0.711 6.588 5.232 1.00 0.00 N ATOM 264 CA PHE A 19 -0.243 5.579 5.724 1.00 0.00 C ATOM 265 C PHE A 19 -1.679 6.119 5.863 1.00 0.00 C ATOM 266 O PHE A 19 -2.635 5.384 5.692 1.00 0.00 O ATOM 267 CB PHE A 19 0.245 5.105 7.105 1.00 0.00 C ATOM 268 CG PHE A 19 0.221 6.296 8.087 1.00 0.00 C ATOM 269 CD1 PHE A 19 -0.944 6.567 8.837 1.00 0.00 C ATOM 270 CD2 PHE A 19 1.345 7.136 8.219 1.00 0.00 C ATOM 271 CE1 PHE A 19 -0.979 7.658 9.707 1.00 0.00 C ATOM 272 CE2 PHE A 19 1.306 8.225 9.094 1.00 0.00 C ATOM 273 CZ PHE A 19 0.146 8.485 9.839 1.00 0.00 C ATOM 0 H PHE A 19 1.648 6.477 5.620 1.00 0.00 H new ATOM 0 HA PHE A 19 -0.279 4.768 4.996 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -0.393 4.301 7.473 1.00 0.00 H new ATOM 0 HB3 PHE A 19 1.255 4.701 7.029 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -1.810 5.929 8.737 1.00 0.00 H new ATOM 0 HD2 PHE A 19 2.237 6.938 7.643 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -1.872 7.865 10.278 1.00 0.00 H new ATOM 0 HE2 PHE A 19 2.169 8.866 9.197 1.00 0.00 H new ATOM 0 HZ PHE A 19 0.119 9.325 10.517 1.00 0.00 H new ATOM 283 N ASP A 20 -1.787 7.427 6.147 1.00 0.00 N ATOM 284 CA ASP A 20 -3.095 8.065 6.289 1.00 0.00 C ATOM 285 C ASP A 20 -3.801 8.071 4.930 1.00 0.00 C ATOM 286 O ASP A 20 -4.956 7.727 4.826 1.00 0.00 O ATOM 287 CB ASP A 20 -2.848 9.506 6.797 1.00 0.00 C ATOM 288 CG ASP A 20 -4.163 10.222 7.116 1.00 0.00 C ATOM 289 OD1 ASP A 20 -4.824 9.800 8.047 1.00 0.00 O ATOM 290 OD2 ASP A 20 -4.492 11.169 6.416 1.00 0.00 O ATOM 0 H ASP A 20 -0.992 8.052 6.280 1.00 0.00 H new ATOM 0 HA ASP A 20 -3.732 7.530 6.993 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -2.223 9.476 7.690 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -2.299 10.070 6.043 1.00 0.00 H new ATOM 295 N GLU A 21 -3.058 8.448 3.900 1.00 0.00 N ATOM 296 CA GLU A 21 -3.593 8.503 2.525 1.00 0.00 C ATOM 297 C GLU A 21 -4.088 7.119 2.106 1.00 0.00 C ATOM 298 O GLU A 21 -5.153 6.979 1.505 1.00 0.00 O ATOM 299 CB GLU A 21 -2.492 9.017 1.534 1.00 0.00 C ATOM 300 CG GLU A 21 -2.101 10.490 1.835 1.00 0.00 C ATOM 301 CD GLU A 21 -3.258 11.451 1.499 1.00 0.00 C ATOM 302 OE1 GLU A 21 -3.737 11.384 0.377 1.00 0.00 O ATOM 303 OE2 GLU A 21 -3.653 12.215 2.362 1.00 0.00 O ATOM 0 H GLU A 21 -2.079 8.723 3.979 1.00 0.00 H new ATOM 0 HA GLU A 21 -4.431 9.199 2.497 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -1.609 8.382 1.608 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -2.857 8.938 0.510 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -1.834 10.591 2.887 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -1.219 10.761 1.255 1.00 0.00 H new ATOM 310 N LEU A 22 -3.319 6.098 2.469 1.00 0.00 N ATOM 311 CA LEU A 22 -3.689 4.701 2.151 1.00 0.00 C ATOM 312 C LEU A 22 -4.800 4.202 3.033 1.00 0.00 C ATOM 313 O LEU A 22 -5.765 3.627 2.568 1.00 0.00 O ATOM 314 CB LEU A 22 -2.435 3.807 2.360 1.00 0.00 C ATOM 315 CG LEU A 22 -1.225 4.378 1.557 1.00 0.00 C ATOM 316 CD1 LEU A 22 0.042 3.524 1.812 1.00 0.00 C ATOM 317 CD2 LEU A 22 -1.547 4.409 0.028 1.00 0.00 C ATOM 0 H LEU A 22 -2.441 6.197 2.979 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.040 4.660 1.120 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -2.187 3.759 3.420 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.648 2.788 2.036 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.039 5.397 1.897 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.878 3.935 1.245 1.00 0.00 H new ATOM 0 HD12 LEU A 22 0.283 3.538 2.875 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -0.142 2.497 1.495 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.692 4.810 -0.516 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.757 3.398 -0.320 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.418 5.041 -0.148 1.00 0.00 H new ATOM 329 N ARG A 23 -4.645 4.427 4.322 1.00 0.00 N ATOM 330 CA ARG A 23 -5.645 3.951 5.275 1.00 0.00 C ATOM 331 C ARG A 23 -7.005 4.610 5.010 1.00 0.00 C ATOM 332 O ARG A 23 -8.021 3.934 4.900 1.00 0.00 O ATOM 333 CB ARG A 23 -5.190 4.260 6.719 1.00 0.00 C ATOM 334 CG ARG A 23 -6.175 3.625 7.753 1.00 0.00 C ATOM 335 CD ARG A 23 -5.848 4.092 9.158 1.00 0.00 C ATOM 336 NE ARG A 23 -4.515 3.612 9.552 1.00 0.00 N ATOM 337 CZ ARG A 23 -3.983 3.886 10.752 1.00 0.00 C ATOM 338 NH1 ARG A 23 -4.660 4.578 11.634 1.00 0.00 N ATOM 339 NH2 ARG A 23 -2.791 3.457 11.043 1.00 0.00 N ATOM 0 H ARG A 23 -3.856 4.925 4.734 1.00 0.00 H new ATOM 0 HA ARG A 23 -5.749 2.873 5.151 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -4.184 3.872 6.880 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -5.143 5.339 6.868 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -7.200 3.899 7.502 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -6.114 2.538 7.702 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -5.880 5.181 9.204 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -6.598 3.721 9.857 1.00 0.00 H new ATOM 0 HE ARG A 23 -3.977 3.052 8.890 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -5.597 4.912 11.410 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -4.250 4.783 12.545 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -2.263 2.914 10.360 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -2.383 3.664 11.955 1.00 0.00 H new ATOM 353 N GLN A 24 -7.003 5.929 4.984 1.00 0.00 N ATOM 354 CA GLN A 24 -8.230 6.717 4.822 1.00 0.00 C ATOM 355 C GLN A 24 -8.928 6.403 3.531 1.00 0.00 C ATOM 356 O GLN A 24 -10.156 6.302 3.500 1.00 0.00 O ATOM 357 CB GLN A 24 -7.866 8.219 4.839 1.00 0.00 C ATOM 358 CG GLN A 24 -7.230 8.591 6.210 1.00 0.00 C ATOM 359 CD GLN A 24 -8.305 8.886 7.271 1.00 0.00 C ATOM 360 OE1 GLN A 24 -9.158 9.748 7.059 1.00 0.00 O ATOM 361 NE2 GLN A 24 -8.307 8.221 8.391 1.00 0.00 N ATOM 0 H GLN A 24 -6.157 6.492 5.074 1.00 0.00 H new ATOM 0 HA GLN A 24 -8.903 6.467 5.642 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -7.169 8.443 4.031 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -8.758 8.821 4.666 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -6.596 7.773 6.551 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -6.588 9.463 6.089 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -7.598 7.508 8.562 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -9.017 8.413 9.097 1.00 0.00 H new ATOM 370 N ASP A 25 -8.152 6.152 2.473 1.00 0.00 N ATOM 371 CA ASP A 25 -8.707 5.741 1.205 1.00 0.00 C ATOM 372 C ASP A 25 -9.220 4.305 1.282 1.00 0.00 C ATOM 373 O ASP A 25 -10.329 4.003 0.862 1.00 0.00 O ATOM 374 CB ASP A 25 -7.605 5.857 0.126 1.00 0.00 C ATOM 375 CG ASP A 25 -8.153 5.514 -1.269 1.00 0.00 C ATOM 376 OD1 ASP A 25 -9.039 6.222 -1.721 1.00 0.00 O ATOM 377 OD2 ASP A 25 -7.693 4.545 -1.850 1.00 0.00 O ATOM 0 H ASP A 25 -7.135 6.230 2.482 1.00 0.00 H new ATOM 0 HA ASP A 25 -9.549 6.384 0.949 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -7.202 6.870 0.122 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -6.781 5.187 0.371 1.00 0.00 H new ATOM 382 N LEU A 26 -8.338 3.416 1.814 1.00 0.00 N ATOM 383 CA LEU A 26 -8.653 1.963 1.904 1.00 0.00 C ATOM 384 C LEU A 26 -9.851 1.699 2.799 1.00 0.00 C ATOM 385 O LEU A 26 -10.613 0.766 2.535 1.00 0.00 O ATOM 386 CB LEU A 26 -7.435 1.134 2.388 1.00 0.00 C ATOM 387 CG LEU A 26 -6.269 1.094 1.319 1.00 0.00 C ATOM 388 CD1 LEU A 26 -4.929 0.700 2.003 1.00 0.00 C ATOM 389 CD2 LEU A 26 -6.584 0.054 0.188 1.00 0.00 C ATOM 0 H LEU A 26 -7.421 3.672 2.180 1.00 0.00 H new ATOM 0 HA LEU A 26 -8.903 1.642 0.893 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -7.057 1.558 3.318 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -7.756 0.116 2.609 1.00 0.00 H new ATOM 0 HG LEU A 26 -6.184 2.088 0.879 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -4.134 0.676 1.258 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.684 1.433 2.772 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -5.029 -0.285 2.459 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -5.768 0.044 -0.535 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -6.692 -0.938 0.626 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -7.511 0.332 -0.314 1.00 0.00 H new ATOM 401 N LYS A 27 -10.036 2.522 3.833 1.00 0.00 N ATOM 402 CA LYS A 27 -11.189 2.340 4.720 1.00 0.00 C ATOM 403 C LYS A 27 -12.506 2.339 3.902 1.00 0.00 C ATOM 404 O LYS A 27 -13.391 1.509 4.112 1.00 0.00 O ATOM 405 CB LYS A 27 -11.177 3.494 5.728 1.00 0.00 C ATOM 406 CG LYS A 27 -12.144 3.225 6.920 1.00 0.00 C ATOM 407 CD LYS A 27 -12.267 4.485 7.826 1.00 0.00 C ATOM 408 CE LYS A 27 -10.872 4.951 8.352 1.00 0.00 C ATOM 409 NZ LYS A 27 -10.105 3.765 8.848 1.00 0.00 N ATOM 0 H LYS A 27 -9.422 3.300 4.074 1.00 0.00 H new ATOM 0 HA LYS A 27 -11.129 1.383 5.238 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -10.165 3.638 6.105 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -11.465 4.418 5.227 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -13.127 2.946 6.541 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -11.779 2.383 7.508 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -12.734 5.294 7.264 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -12.920 4.265 8.670 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -10.319 5.448 7.556 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -10.998 5.678 9.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -9.442 4.066 9.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -10.766 3.062 9.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -9.573 3.341 8.061 1.00 0.00 H new ATOM 423 N GLY A 28 -12.616 3.298 2.977 1.00 0.00 N ATOM 424 CA GLY A 28 -13.813 3.439 2.132 1.00 0.00 C ATOM 425 C GLY A 28 -14.044 2.215 1.244 1.00 0.00 C ATOM 426 O GLY A 28 -15.178 1.904 0.888 1.00 0.00 O ATOM 0 H GLY A 28 -11.891 3.991 2.792 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -14.686 3.595 2.766 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -13.711 4.325 1.506 1.00 0.00 H new ATOM 430 N LYS A 29 -12.959 1.539 0.866 1.00 0.00 N ATOM 431 CA LYS A 29 -13.026 0.355 -0.020 1.00 0.00 C ATOM 432 C LYS A 29 -13.633 -0.854 0.695 1.00 0.00 C ATOM 433 O LYS A 29 -13.718 -1.943 0.122 1.00 0.00 O ATOM 434 CB LYS A 29 -11.597 0.021 -0.533 1.00 0.00 C ATOM 435 CG LYS A 29 -10.894 1.260 -1.164 1.00 0.00 C ATOM 436 CD LYS A 29 -11.600 1.698 -2.479 1.00 0.00 C ATOM 437 CE LYS A 29 -10.884 2.891 -3.122 1.00 0.00 C ATOM 438 NZ LYS A 29 -11.603 3.230 -4.378 1.00 0.00 N ATOM 0 H LYS A 29 -12.013 1.786 1.157 1.00 0.00 H new ATOM 0 HA LYS A 29 -13.676 0.590 -0.863 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -10.994 -0.355 0.294 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -11.656 -0.777 -1.273 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -10.899 2.086 -0.453 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -9.850 1.023 -1.370 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -11.621 0.863 -3.179 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -12.636 1.963 -2.268 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -10.878 3.744 -2.443 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -9.843 2.644 -3.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -11.137 4.039 -4.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -11.587 2.411 -5.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -12.589 3.477 -4.158 1.00 0.00 H new ATOM 452 N GLY A 30 -14.100 -0.631 1.913 1.00 0.00 N ATOM 453 CA GLY A 30 -14.776 -1.675 2.696 1.00 0.00 C ATOM 454 C GLY A 30 -13.801 -2.736 3.151 1.00 0.00 C ATOM 455 O GLY A 30 -14.211 -3.803 3.608 1.00 0.00 O ATOM 0 H GLY A 30 -14.027 0.267 2.391 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -15.260 -1.226 3.564 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -15.561 -2.133 2.094 1.00 0.00 H new ATOM 459 N HIS A 31 -12.498 -2.457 3.013 1.00 0.00 N ATOM 460 CA HIS A 31 -11.453 -3.415 3.404 1.00 0.00 C ATOM 461 C HIS A 31 -11.471 -3.600 4.913 1.00 0.00 C ATOM 462 O HIS A 31 -12.071 -2.809 5.638 1.00 0.00 O ATOM 463 CB HIS A 31 -10.075 -2.922 2.912 1.00 0.00 C ATOM 464 CG HIS A 31 -10.001 -2.997 1.410 1.00 0.00 C ATOM 465 ND1 HIS A 31 -11.135 -3.032 0.625 1.00 0.00 N ATOM 466 CD2 HIS A 31 -8.942 -3.107 0.547 1.00 0.00 C ATOM 467 CE1 HIS A 31 -10.746 -3.162 -0.644 1.00 0.00 C ATOM 468 NE2 HIS A 31 -9.415 -3.213 -0.756 1.00 0.00 N ATOM 0 H HIS A 31 -12.142 -1.579 2.635 1.00 0.00 H new ATOM 0 HA HIS A 31 -11.647 -4.382 2.939 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -9.909 -1.896 3.241 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -9.285 -3.530 3.353 1.00 0.00 H new ATOM 0 HD1 HIS A 31 -12.098 -2.970 0.956 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -7.901 -3.111 0.835 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -11.426 -3.219 -1.481 1.00 0.00 H new ATOM 476 N THR A 32 -10.852 -4.695 5.368 1.00 0.00 N ATOM 477 CA THR A 32 -10.835 -5.049 6.794 1.00 0.00 C ATOM 478 C THR A 32 -9.651 -4.408 7.472 1.00 0.00 C ATOM 479 O THR A 32 -8.682 -4.052 6.828 1.00 0.00 O ATOM 480 CB THR A 32 -10.785 -6.584 6.935 1.00 0.00 C ATOM 481 OG1 THR A 32 -9.570 -7.054 6.389 1.00 0.00 O ATOM 482 CG2 THR A 32 -11.967 -7.231 6.172 1.00 0.00 C ATOM 0 H THR A 32 -10.355 -5.354 4.769 1.00 0.00 H new ATOM 0 HA THR A 32 -11.740 -4.679 7.276 1.00 0.00 H new ATOM 0 HB THR A 32 -10.855 -6.850 7.990 1.00 0.00 H new ATOM 0 HG1 THR A 32 -9.528 -8.029 6.476 1.00 0.00 H new ATOM 0 HG21 THR A 32 -11.920 -8.315 6.280 1.00 0.00 H new ATOM 0 HG22 THR A 32 -12.908 -6.866 6.583 1.00 0.00 H new ATOM 0 HG23 THR A 32 -11.906 -6.968 5.116 1.00 0.00 H new ATOM 490 N ASP A 33 -9.713 -4.296 8.802 1.00 0.00 N ATOM 491 CA ASP A 33 -8.620 -3.695 9.567 1.00 0.00 C ATOM 492 C ASP A 33 -7.313 -4.447 9.325 1.00 0.00 C ATOM 493 O ASP A 33 -6.274 -3.820 9.138 1.00 0.00 O ATOM 494 CB ASP A 33 -8.983 -3.698 11.067 1.00 0.00 C ATOM 495 CG ASP A 33 -10.312 -2.966 11.285 1.00 0.00 C ATOM 496 OD1 ASP A 33 -10.491 -1.919 10.685 1.00 0.00 O ATOM 497 OD2 ASP A 33 -11.126 -3.461 12.049 1.00 0.00 O ATOM 0 H ASP A 33 -10.502 -4.611 9.366 1.00 0.00 H new ATOM 0 HA ASP A 33 -8.476 -2.666 9.237 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -9.059 -4.723 11.429 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -8.193 -3.214 11.642 1.00 0.00 H new ATOM 502 N ALA A 34 -7.381 -5.792 9.343 1.00 0.00 N ATOM 503 CA ALA A 34 -6.179 -6.614 9.134 1.00 0.00 C ATOM 504 C ALA A 34 -5.565 -6.298 7.767 1.00 0.00 C ATOM 505 O ALA A 34 -4.346 -6.174 7.645 1.00 0.00 O ATOM 506 CB ALA A 34 -6.550 -8.107 9.231 1.00 0.00 C ATOM 0 H ALA A 34 -8.239 -6.322 9.497 1.00 0.00 H new ATOM 0 HA ALA A 34 -5.443 -6.386 9.905 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -5.658 -8.714 9.076 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -6.964 -8.316 10.217 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -7.290 -8.348 8.468 1.00 0.00 H new ATOM 512 N GLU A 35 -6.382 -6.254 6.707 1.00 0.00 N ATOM 513 CA GLU A 35 -5.856 -6.006 5.355 1.00 0.00 C ATOM 514 C GLU A 35 -5.356 -4.573 5.224 1.00 0.00 C ATOM 515 O GLU A 35 -4.291 -4.325 4.665 1.00 0.00 O ATOM 516 CB GLU A 35 -7.003 -6.265 4.331 1.00 0.00 C ATOM 517 CG GLU A 35 -7.402 -7.773 4.290 1.00 0.00 C ATOM 518 CD GLU A 35 -6.275 -8.627 3.683 1.00 0.00 C ATOM 519 OE1 GLU A 35 -5.851 -8.307 2.587 1.00 0.00 O ATOM 520 OE2 GLU A 35 -5.845 -9.566 4.335 1.00 0.00 O ATOM 0 H GLU A 35 -7.393 -6.384 6.754 1.00 0.00 H new ATOM 0 HA GLU A 35 -5.015 -6.672 5.162 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -7.873 -5.664 4.597 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -6.686 -5.944 3.339 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -7.624 -8.121 5.299 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -8.312 -7.896 3.703 1.00 0.00 H new ATOM 527 N ILE A 36 -6.155 -3.626 5.730 1.00 0.00 N ATOM 528 CA ILE A 36 -5.799 -2.207 5.618 1.00 0.00 C ATOM 529 C ILE A 36 -4.440 -1.932 6.284 1.00 0.00 C ATOM 530 O ILE A 36 -3.574 -1.266 5.693 1.00 0.00 O ATOM 531 CB ILE A 36 -6.914 -1.351 6.313 1.00 0.00 C ATOM 532 CG1 ILE A 36 -8.264 -1.458 5.513 1.00 0.00 C ATOM 533 CG2 ILE A 36 -6.493 0.155 6.398 1.00 0.00 C ATOM 534 CD1 ILE A 36 -9.453 -0.946 6.341 1.00 0.00 C ATOM 0 H ILE A 36 -7.035 -3.811 6.212 1.00 0.00 H new ATOM 0 HA ILE A 36 -5.721 -1.939 4.564 1.00 0.00 H new ATOM 0 HB ILE A 36 -7.051 -1.742 7.321 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -8.188 -0.883 4.590 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -8.438 -2.496 5.228 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -7.283 0.727 6.884 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.573 0.244 6.976 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -6.329 0.544 5.393 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -10.369 -1.035 5.756 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -9.544 -1.539 7.251 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -9.290 0.099 6.603 1.00 0.00 H new ATOM 546 N GLU A 37 -4.291 -2.398 7.537 1.00 0.00 N ATOM 547 CA GLU A 37 -3.082 -2.151 8.305 1.00 0.00 C ATOM 548 C GLU A 37 -1.866 -2.803 7.655 1.00 0.00 C ATOM 549 O GLU A 37 -0.776 -2.251 7.653 1.00 0.00 O ATOM 550 CB GLU A 37 -3.244 -2.645 9.769 1.00 0.00 C ATOM 551 CG GLU A 37 -3.269 -4.190 9.883 1.00 0.00 C ATOM 552 CD GLU A 37 -3.681 -4.643 11.286 1.00 0.00 C ATOM 553 OE1 GLU A 37 -4.658 -4.114 11.793 1.00 0.00 O ATOM 554 OE2 GLU A 37 -3.016 -5.510 11.828 1.00 0.00 O ATOM 0 H GLU A 37 -4.998 -2.945 8.028 1.00 0.00 H new ATOM 0 HA GLU A 37 -2.919 -1.073 8.319 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -2.424 -2.254 10.372 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -4.167 -2.240 10.184 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -3.964 -4.599 9.149 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -2.283 -4.589 9.646 1.00 0.00 H new ATOM 561 N ALA A 38 -2.077 -4.024 7.151 1.00 0.00 N ATOM 562 CA ALA A 38 -1.005 -4.799 6.544 1.00 0.00 C ATOM 563 C ALA A 38 -0.473 -4.134 5.282 1.00 0.00 C ATOM 564 O ALA A 38 0.741 -4.107 5.055 1.00 0.00 O ATOM 565 CB ALA A 38 -1.579 -6.199 6.190 1.00 0.00 C ATOM 0 H ALA A 38 -2.984 -4.492 7.155 1.00 0.00 H new ATOM 0 HA ALA A 38 -0.175 -4.874 7.246 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -0.799 -6.807 5.732 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -1.933 -6.687 7.098 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -2.408 -6.086 5.492 1.00 0.00 H new ATOM 571 N ILE A 39 -1.391 -3.668 4.421 1.00 0.00 N ATOM 572 CA ILE A 39 -0.953 -3.108 3.112 1.00 0.00 C ATOM 573 C ILE A 39 -0.072 -1.886 3.288 1.00 0.00 C ATOM 574 O ILE A 39 0.965 -1.768 2.645 1.00 0.00 O ATOM 575 CB ILE A 39 -2.247 -2.687 2.229 1.00 0.00 C ATOM 576 CG1 ILE A 39 -2.692 -3.828 1.234 1.00 0.00 C ATOM 577 CG2 ILE A 39 -2.011 -1.372 1.405 1.00 0.00 C ATOM 578 CD1 ILE A 39 -3.235 -5.057 1.966 1.00 0.00 C ATOM 0 H ILE A 39 -2.398 -3.661 4.585 1.00 0.00 H new ATOM 0 HA ILE A 39 -0.378 -3.883 2.605 1.00 0.00 H new ATOM 0 HB ILE A 39 -3.040 -2.515 2.957 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -3.457 -3.442 0.560 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -1.842 -4.121 0.617 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -2.908 -1.136 0.832 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -1.789 -0.551 2.086 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -1.172 -1.515 0.723 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -3.528 -5.814 1.238 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -2.463 -5.462 2.620 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -4.102 -4.772 2.562 1.00 0.00 H new ATOM 590 N PHE A 40 -0.485 -0.970 4.150 1.00 0.00 N ATOM 591 CA PHE A 40 0.295 0.249 4.365 1.00 0.00 C ATOM 592 C PHE A 40 1.613 -0.111 5.042 1.00 0.00 C ATOM 593 O PHE A 40 2.649 0.431 4.745 1.00 0.00 O ATOM 594 CB PHE A 40 -0.531 1.317 5.166 1.00 0.00 C ATOM 595 CG PHE A 40 -0.155 1.277 6.660 1.00 0.00 C ATOM 596 CD1 PHE A 40 0.999 1.937 7.104 1.00 0.00 C ATOM 597 CD2 PHE A 40 -0.909 0.541 7.552 1.00 0.00 C ATOM 598 CE1 PHE A 40 1.377 1.866 8.438 1.00 0.00 C ATOM 599 CE2 PHE A 40 -0.540 0.451 8.896 1.00 0.00 C ATOM 600 CZ PHE A 40 0.607 1.121 9.343 1.00 0.00 C ATOM 0 H PHE A 40 -1.338 -1.040 4.705 1.00 0.00 H new ATOM 0 HA PHE A 40 0.527 0.711 3.405 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -0.339 2.311 4.763 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -1.597 1.125 5.048 1.00 0.00 H new ATOM 0 HD1 PHE A 40 1.597 2.503 6.405 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -1.795 0.029 7.206 1.00 0.00 H new ATOM 0 HE1 PHE A 40 2.262 2.383 8.778 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -1.134 -0.130 9.586 1.00 0.00 H new ATOM 0 HZ PHE A 40 0.897 1.064 10.382 1.00 0.00 H new ATOM 610 N THR A 41 1.510 -1.007 6.031 1.00 0.00 N ATOM 611 CA THR A 41 2.649 -1.403 6.837 1.00 0.00 C ATOM 612 C THR A 41 3.755 -1.977 5.972 1.00 0.00 C ATOM 613 O THR A 41 4.932 -1.679 6.189 1.00 0.00 O ATOM 614 CB THR A 41 2.163 -2.438 7.883 1.00 0.00 C ATOM 615 OG1 THR A 41 1.381 -1.770 8.861 1.00 0.00 O ATOM 616 CG2 THR A 41 3.334 -3.140 8.594 1.00 0.00 C ATOM 0 H THR A 41 0.637 -1.469 6.286 1.00 0.00 H new ATOM 0 HA THR A 41 3.065 -0.533 7.345 1.00 0.00 H new ATOM 0 HB THR A 41 1.583 -3.195 7.355 1.00 0.00 H new ATOM 0 HG1 THR A 41 0.600 -1.362 8.432 1.00 0.00 H new ATOM 0 HG21 THR A 41 2.944 -3.856 9.317 1.00 0.00 H new ATOM 0 HG22 THR A 41 3.945 -3.664 7.859 1.00 0.00 H new ATOM 0 HG23 THR A 41 3.944 -2.398 9.110 1.00 0.00 H new ATOM 624 N LYS A 42 3.386 -2.837 5.021 1.00 0.00 N ATOM 625 CA LYS A 42 4.383 -3.452 4.180 1.00 0.00 C ATOM 626 C LYS A 42 5.055 -2.388 3.297 1.00 0.00 C ATOM 627 O LYS A 42 6.283 -2.367 3.188 1.00 0.00 O ATOM 628 CB LYS A 42 3.678 -4.522 3.316 1.00 0.00 C ATOM 629 CG LYS A 42 4.717 -5.317 2.495 1.00 0.00 C ATOM 630 CD LYS A 42 4.027 -6.414 1.653 1.00 0.00 C ATOM 631 CE LYS A 42 5.084 -7.210 0.860 1.00 0.00 C ATOM 632 NZ LYS A 42 4.411 -8.265 0.065 1.00 0.00 N ATOM 0 H LYS A 42 2.423 -3.111 4.825 1.00 0.00 H new ATOM 0 HA LYS A 42 5.162 -3.919 4.783 1.00 0.00 H new ATOM 0 HB2 LYS A 42 3.113 -5.201 3.955 1.00 0.00 H new ATOM 0 HB3 LYS A 42 2.963 -4.045 2.646 1.00 0.00 H new ATOM 0 HG2 LYS A 42 5.265 -4.640 1.840 1.00 0.00 H new ATOM 0 HG3 LYS A 42 5.446 -5.772 3.165 1.00 0.00 H new ATOM 0 HD2 LYS A 42 3.466 -7.085 2.304 1.00 0.00 H new ATOM 0 HD3 LYS A 42 3.310 -5.962 0.968 1.00 0.00 H new ATOM 0 HE2 LYS A 42 5.640 -6.542 0.202 1.00 0.00 H new ATOM 0 HE3 LYS A 42 5.806 -7.658 1.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 5.001 -8.512 -0.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 4.270 -9.109 0.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 3.489 -7.916 -0.265 1.00 0.00 H new ATOM 646 N TYR A 43 4.241 -1.546 2.629 1.00 0.00 N ATOM 647 CA TYR A 43 4.808 -0.530 1.719 1.00 0.00 C ATOM 648 C TYR A 43 5.493 0.559 2.516 1.00 0.00 C ATOM 649 O TYR A 43 6.463 1.153 2.037 1.00 0.00 O ATOM 650 CB TYR A 43 3.689 0.097 0.836 1.00 0.00 C ATOM 651 CG TYR A 43 3.340 -0.823 -0.349 1.00 0.00 C ATOM 652 CD1 TYR A 43 2.726 -2.062 -0.116 1.00 0.00 C ATOM 653 CD2 TYR A 43 3.650 -0.438 -1.676 1.00 0.00 C ATOM 654 CE1 TYR A 43 2.422 -2.902 -1.184 1.00 0.00 C ATOM 655 CE2 TYR A 43 3.342 -1.285 -2.731 1.00 0.00 C ATOM 656 CZ TYR A 43 2.730 -2.508 -2.484 1.00 0.00 C ATOM 657 OH TYR A 43 2.429 -3.332 -3.529 1.00 0.00 O ATOM 0 H TYR A 43 3.223 -1.546 2.697 1.00 0.00 H new ATOM 0 HA TYR A 43 5.538 -1.018 1.073 1.00 0.00 H new ATOM 0 HB2 TYR A 43 2.799 0.271 1.440 1.00 0.00 H new ATOM 0 HB3 TYR A 43 4.016 1.068 0.463 1.00 0.00 H new ATOM 0 HD1 TYR A 43 2.489 -2.365 0.893 1.00 0.00 H new ATOM 0 HD2 TYR A 43 4.125 0.513 -1.867 1.00 0.00 H new ATOM 0 HE1 TYR A 43 1.949 -3.856 -1.005 1.00 0.00 H new ATOM 0 HE2 TYR A 43 3.578 -0.994 -3.744 1.00 0.00 H new ATOM 0 HH TYR A 43 3.228 -3.838 -3.787 1.00 0.00 H new ATOM 667 N ASP A 44 4.992 0.836 3.721 1.00 0.00 N ATOM 668 CA ASP A 44 5.561 1.884 4.587 1.00 0.00 C ATOM 669 C ASP A 44 6.436 1.237 5.664 1.00 0.00 C ATOM 670 O ASP A 44 5.916 0.567 6.563 1.00 0.00 O ATOM 671 CB ASP A 44 4.411 2.676 5.258 1.00 0.00 C ATOM 672 CG ASP A 44 3.312 3.082 4.265 1.00 0.00 C ATOM 673 OD1 ASP A 44 3.097 2.368 3.292 1.00 0.00 O ATOM 674 OD2 ASP A 44 2.702 4.112 4.483 1.00 0.00 O ATOM 0 H ASP A 44 4.191 0.351 4.125 1.00 0.00 H new ATOM 0 HA ASP A 44 6.168 2.563 3.988 1.00 0.00 H new ATOM 0 HB2 ASP A 44 3.973 2.070 6.051 1.00 0.00 H new ATOM 0 HB3 ASP A 44 4.818 3.571 5.729 1.00 0.00 H new ATOM 679 N GLN A 45 7.759 1.379 5.544 1.00 0.00 N ATOM 680 CA GLN A 45 8.672 0.718 6.490 1.00 0.00 C ATOM 681 C GLN A 45 8.483 1.238 7.913 1.00 0.00 C ATOM 682 O GLN A 45 8.256 0.432 8.824 1.00 0.00 O ATOM 683 CB GLN A 45 10.139 0.993 6.009 1.00 0.00 C ATOM 684 CG GLN A 45 10.530 0.081 4.803 1.00 0.00 C ATOM 685 CD GLN A 45 9.528 0.213 3.654 1.00 0.00 C ATOM 686 OE1 GLN A 45 9.789 0.905 2.673 1.00 0.00 O ATOM 687 NE2 GLN A 45 8.374 -0.401 3.740 1.00 0.00 N ATOM 0 H GLN A 45 8.217 1.932 4.820 1.00 0.00 H new ATOM 0 HA GLN A 45 8.460 -0.351 6.509 1.00 0.00 H new ATOM 0 HB2 GLN A 45 10.238 2.040 5.721 1.00 0.00 H new ATOM 0 HB3 GLN A 45 10.831 0.823 6.834 1.00 0.00 H new ATOM 0 HG2 GLN A 45 11.526 0.348 4.451 1.00 0.00 H new ATOM 0 HG3 GLN A 45 10.576 -0.958 5.130 1.00 0.00 H new ATOM 0 HE21 GLN A 45 8.161 -0.975 4.556 1.00 0.00 H new ATOM 0 HE22 GLN A 45 7.688 -0.305 2.991 1.00 0.00 H new ATOM 696 N ASP A 46 8.516 2.578 8.127 1.00 0.00 N ATOM 697 CA ASP A 46 8.282 3.171 9.464 1.00 0.00 C ATOM 698 C ASP A 46 6.911 3.863 9.540 1.00 0.00 C ATOM 699 O ASP A 46 6.549 4.396 10.592 1.00 0.00 O ATOM 700 CB ASP A 46 9.418 4.196 9.733 1.00 0.00 C ATOM 701 CG ASP A 46 9.358 4.760 11.163 1.00 0.00 C ATOM 702 OD1 ASP A 46 8.887 4.052 12.041 1.00 0.00 O ATOM 703 OD2 ASP A 46 9.791 5.880 11.352 1.00 0.00 O ATOM 0 H ASP A 46 8.701 3.263 7.394 1.00 0.00 H new ATOM 0 HA ASP A 46 8.285 2.384 10.218 1.00 0.00 H new ATOM 0 HB2 ASP A 46 10.384 3.717 9.572 1.00 0.00 H new ATOM 0 HB3 ASP A 46 9.345 5.015 9.017 1.00 0.00 H new ATOM 708 N GLY A 47 6.172 3.887 8.420 1.00 0.00 N ATOM 709 CA GLY A 47 4.854 4.568 8.381 1.00 0.00 C ATOM 710 C GLY A 47 4.908 5.977 8.966 1.00 0.00 C ATOM 711 O GLY A 47 3.902 6.480 9.465 1.00 0.00 O ATOM 0 H GLY A 47 6.452 3.453 7.540 1.00 0.00 H new ATOM 0 HA2 GLY A 47 4.505 4.619 7.350 1.00 0.00 H new ATOM 0 HA3 GLY A 47 4.126 3.976 8.935 1.00 0.00 H new ATOM 715 N ASP A 48 6.109 6.591 8.932 1.00 0.00 N ATOM 716 CA ASP A 48 6.348 7.948 9.484 1.00 0.00 C ATOM 717 C ASP A 48 6.784 8.933 8.402 1.00 0.00 C ATOM 718 O ASP A 48 6.726 10.146 8.614 1.00 0.00 O ATOM 719 CB ASP A 48 7.454 7.848 10.566 1.00 0.00 C ATOM 720 CG ASP A 48 7.640 9.190 11.296 1.00 0.00 C ATOM 721 OD1 ASP A 48 6.708 9.605 11.961 1.00 0.00 O ATOM 722 OD2 ASP A 48 8.699 9.785 11.156 1.00 0.00 O ATOM 0 H ASP A 48 6.940 6.165 8.523 1.00 0.00 H new ATOM 0 HA ASP A 48 5.416 8.319 9.910 1.00 0.00 H new ATOM 0 HB2 ASP A 48 7.193 7.072 11.286 1.00 0.00 H new ATOM 0 HB3 ASP A 48 8.394 7.550 10.102 1.00 0.00 H new ATOM 727 N GLN A 49 7.265 8.410 7.271 1.00 0.00 N ATOM 728 CA GLN A 49 7.774 9.240 6.147 1.00 0.00 C ATOM 729 C GLN A 49 7.002 8.934 4.872 1.00 0.00 C ATOM 730 O GLN A 49 6.229 7.984 4.806 1.00 0.00 O ATOM 731 CB GLN A 49 9.310 8.969 5.936 1.00 0.00 C ATOM 732 CG GLN A 49 9.668 7.465 6.162 1.00 0.00 C ATOM 733 CD GLN A 49 8.876 6.557 5.214 1.00 0.00 C ATOM 734 OE1 GLN A 49 8.858 6.785 4.003 1.00 0.00 O ATOM 735 NE2 GLN A 49 8.207 5.546 5.700 1.00 0.00 N ATOM 0 H GLN A 49 7.318 7.406 7.097 1.00 0.00 H new ATOM 0 HA GLN A 49 7.631 10.293 6.391 1.00 0.00 H new ATOM 0 HB2 GLN A 49 9.596 9.263 4.926 1.00 0.00 H new ATOM 0 HB3 GLN A 49 9.887 9.588 6.624 1.00 0.00 H new ATOM 0 HG2 GLN A 49 10.736 7.315 6.005 1.00 0.00 H new ATOM 0 HG3 GLN A 49 9.456 7.189 7.195 1.00 0.00 H new ATOM 0 HE21 GLN A 49 8.223 5.359 6.703 1.00 0.00 H new ATOM 0 HE22 GLN A 49 7.669 4.944 5.077 1.00 0.00 H new ATOM 744 N GLU A 50 7.236 9.757 3.839 1.00 0.00 N ATOM 745 CA GLU A 50 6.597 9.621 2.538 1.00 0.00 C ATOM 746 C GLU A 50 7.239 8.493 1.751 1.00 0.00 C ATOM 747 O GLU A 50 8.425 8.207 1.939 1.00 0.00 O ATOM 748 CB GLU A 50 6.697 10.957 1.762 1.00 0.00 C ATOM 749 CG GLU A 50 6.033 12.110 2.573 1.00 0.00 C ATOM 750 CD GLU A 50 4.522 11.882 2.757 1.00 0.00 C ATOM 751 OE1 GLU A 50 3.845 11.697 1.759 1.00 0.00 O ATOM 752 OE2 GLU A 50 4.076 11.876 3.892 1.00 0.00 O ATOM 0 H GLU A 50 7.884 10.543 3.893 1.00 0.00 H new ATOM 0 HA GLU A 50 5.544 9.379 2.681 1.00 0.00 H new ATOM 0 HB2 GLU A 50 7.743 11.195 1.570 1.00 0.00 H new ATOM 0 HB3 GLU A 50 6.209 10.859 0.792 1.00 0.00 H new ATOM 0 HG2 GLU A 50 6.510 12.189 3.550 1.00 0.00 H new ATOM 0 HG3 GLU A 50 6.198 13.057 2.060 1.00 0.00 H new ATOM 759 N LEU A 51 6.445 7.815 0.916 1.00 0.00 N ATOM 760 CA LEU A 51 6.943 6.661 0.155 1.00 0.00 C ATOM 761 C LEU A 51 7.481 7.094 -1.200 1.00 0.00 C ATOM 762 O LEU A 51 6.761 7.670 -2.010 1.00 0.00 O ATOM 763 CB LEU A 51 5.779 5.652 -0.073 1.00 0.00 C ATOM 764 CG LEU A 51 4.944 5.436 1.235 1.00 0.00 C ATOM 765 CD1 LEU A 51 3.832 4.395 0.986 1.00 0.00 C ATOM 766 CD2 LEU A 51 5.857 4.983 2.415 1.00 0.00 C ATOM 0 H LEU A 51 5.464 8.041 0.750 1.00 0.00 H new ATOM 0 HA LEU A 51 7.748 6.197 0.726 1.00 0.00 H new ATOM 0 HB2 LEU A 51 5.127 6.019 -0.866 1.00 0.00 H new ATOM 0 HB3 LEU A 51 6.184 4.698 -0.410 1.00 0.00 H new ATOM 0 HG LEU A 51 4.487 6.386 1.510 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.257 4.251 1.901 1.00 0.00 H new ATOM 0 HD12 LEU A 51 3.172 4.750 0.194 1.00 0.00 H new ATOM 0 HD13 LEU A 51 4.281 3.448 0.687 1.00 0.00 H new ATOM 0 HD21 LEU A 51 5.251 4.841 3.310 1.00 0.00 H new ATOM 0 HD22 LEU A 51 6.348 4.045 2.156 1.00 0.00 H new ATOM 0 HD23 LEU A 51 6.611 5.747 2.605 1.00 0.00 H new ATOM 778 N THR A 52 8.781 6.850 -1.399 1.00 0.00 N ATOM 779 CA THR A 52 9.467 7.256 -2.598 1.00 0.00 C ATOM 780 C THR A 52 9.161 6.271 -3.689 1.00 0.00 C ATOM 781 O THR A 52 8.385 5.342 -3.500 1.00 0.00 O ATOM 782 CB THR A 52 10.992 7.354 -2.322 1.00 0.00 C ATOM 783 OG1 THR A 52 11.662 7.671 -3.531 1.00 0.00 O ATOM 784 CG2 THR A 52 11.542 6.020 -1.769 1.00 0.00 C ATOM 0 H THR A 52 9.373 6.365 -0.725 1.00 0.00 H new ATOM 0 HA THR A 52 9.127 8.241 -2.918 1.00 0.00 H new ATOM 0 HB THR A 52 11.162 8.132 -1.578 1.00 0.00 H new ATOM 0 HG1 THR A 52 11.367 8.550 -3.848 1.00 0.00 H new ATOM 0 HG21 THR A 52 12.612 6.116 -1.584 1.00 0.00 H new ATOM 0 HG22 THR A 52 11.033 5.775 -0.836 1.00 0.00 H new ATOM 0 HG23 THR A 52 11.369 5.226 -2.496 1.00 0.00 H new ATOM 792 N GLU A 53 9.761 6.516 -4.827 1.00 0.00 N ATOM 793 CA GLU A 53 9.538 5.691 -5.989 1.00 0.00 C ATOM 794 C GLU A 53 10.171 4.320 -5.806 1.00 0.00 C ATOM 795 O GLU A 53 9.521 3.316 -5.981 1.00 0.00 O ATOM 796 CB GLU A 53 10.108 6.388 -7.245 1.00 0.00 C ATOM 797 CG GLU A 53 9.393 7.749 -7.482 1.00 0.00 C ATOM 798 CD GLU A 53 9.962 8.435 -8.731 1.00 0.00 C ATOM 799 OE1 GLU A 53 11.169 8.394 -8.903 1.00 0.00 O ATOM 800 OE2 GLU A 53 9.182 8.978 -9.501 1.00 0.00 O ATOM 0 H GLU A 53 10.413 7.287 -4.974 1.00 0.00 H new ATOM 0 HA GLU A 53 8.465 5.552 -6.118 1.00 0.00 H new ATOM 0 HB2 GLU A 53 11.179 6.549 -7.125 1.00 0.00 H new ATOM 0 HB3 GLU A 53 9.978 5.745 -8.116 1.00 0.00 H new ATOM 0 HG2 GLU A 53 8.321 7.589 -7.602 1.00 0.00 H new ATOM 0 HG3 GLU A 53 9.524 8.393 -6.613 1.00 0.00 H new ATOM 807 N HIS A 54 11.476 4.298 -5.550 1.00 0.00 N ATOM 808 CA HIS A 54 12.202 3.003 -5.509 1.00 0.00 C ATOM 809 C HIS A 54 11.527 2.051 -4.528 1.00 0.00 C ATOM 810 O HIS A 54 11.212 0.926 -4.900 1.00 0.00 O ATOM 811 CB HIS A 54 13.676 3.253 -5.090 1.00 0.00 C ATOM 812 CG HIS A 54 14.451 1.955 -5.096 1.00 0.00 C ATOM 813 ND1 HIS A 54 14.363 1.045 -4.055 1.00 0.00 N ATOM 814 CD2 HIS A 54 15.292 1.390 -6.021 1.00 0.00 C ATOM 815 CE1 HIS A 54 15.132 -0.013 -4.374 1.00 0.00 C ATOM 816 NE2 HIS A 54 15.720 0.147 -5.563 1.00 0.00 N ATOM 0 H HIS A 54 12.049 5.123 -5.372 1.00 0.00 H new ATOM 0 HA HIS A 54 12.182 2.547 -6.499 1.00 0.00 H new ATOM 0 HB2 HIS A 54 14.140 3.964 -5.773 1.00 0.00 H new ATOM 0 HB3 HIS A 54 13.708 3.699 -4.096 1.00 0.00 H new ATOM 0 HD2 HIS A 54 15.578 1.840 -6.960 1.00 0.00 H new ATOM 0 HE1 HIS A 54 15.258 -0.883 -3.747 1.00 0.00 H new ATOM 0 HE2 HIS A 54 16.349 -0.503 -6.035 1.00 0.00 H new ATOM 824 N GLU A 55 11.272 2.497 -3.300 1.00 0.00 N ATOM 825 CA GLU A 55 10.608 1.655 -2.306 1.00 0.00 C ATOM 826 C GLU A 55 9.215 1.245 -2.799 1.00 0.00 C ATOM 827 O GLU A 55 8.877 0.076 -2.799 1.00 0.00 O ATOM 828 CB GLU A 55 10.488 2.463 -0.984 1.00 0.00 C ATOM 829 CG GLU A 55 11.893 2.835 -0.425 1.00 0.00 C ATOM 830 CD GLU A 55 12.677 1.582 0.000 1.00 0.00 C ATOM 831 OE1 GLU A 55 12.125 0.793 0.747 1.00 0.00 O ATOM 832 OE2 GLU A 55 13.807 1.429 -0.439 1.00 0.00 O ATOM 0 H GLU A 55 11.513 3.431 -2.970 1.00 0.00 H new ATOM 0 HA GLU A 55 11.190 0.748 -2.141 1.00 0.00 H new ATOM 0 HB2 GLU A 55 9.911 3.371 -1.160 1.00 0.00 H new ATOM 0 HB3 GLU A 55 9.942 1.877 -0.244 1.00 0.00 H new ATOM 0 HG2 GLU A 55 12.456 3.378 -1.184 1.00 0.00 H new ATOM 0 HG3 GLU A 55 11.781 3.503 0.429 1.00 0.00 H new ATOM 839 N HIS A 56 8.416 2.228 -3.224 1.00 0.00 N ATOM 840 CA HIS A 56 7.059 1.954 -3.707 1.00 0.00 C ATOM 841 C HIS A 56 7.067 1.009 -4.925 1.00 0.00 C ATOM 842 O HIS A 56 6.374 -0.005 -4.913 1.00 0.00 O ATOM 843 CB HIS A 56 6.365 3.293 -4.075 1.00 0.00 C ATOM 844 CG HIS A 56 4.952 3.040 -4.545 1.00 0.00 C ATOM 845 ND1 HIS A 56 3.866 3.182 -3.706 1.00 0.00 N ATOM 846 CD2 HIS A 56 4.455 2.592 -5.741 1.00 0.00 C ATOM 847 CE1 HIS A 56 2.779 2.817 -4.396 1.00 0.00 C ATOM 848 NE2 HIS A 56 3.077 2.447 -5.646 1.00 0.00 N ATOM 0 H HIS A 56 8.682 3.213 -3.244 1.00 0.00 H new ATOM 0 HA HIS A 56 6.507 1.456 -2.910 1.00 0.00 H new ATOM 0 HB2 HIS A 56 6.354 3.955 -3.209 1.00 0.00 H new ATOM 0 HB3 HIS A 56 6.930 3.800 -4.857 1.00 0.00 H new ATOM 0 HD2 HIS A 56 5.044 2.384 -6.622 1.00 0.00 H new ATOM 0 HE1 HIS A 56 1.778 2.821 -3.991 1.00 0.00 H new ATOM 0 HE2 HIS A 56 2.434 2.128 -6.371 1.00 0.00 H new ATOM 856 N GLN A 57 7.846 1.341 -5.971 1.00 0.00 N ATOM 857 CA GLN A 57 7.899 0.510 -7.183 1.00 0.00 C ATOM 858 C GLN A 57 8.366 -0.910 -6.868 1.00 0.00 C ATOM 859 O GLN A 57 7.885 -1.862 -7.484 1.00 0.00 O ATOM 860 CB GLN A 57 8.830 1.191 -8.249 1.00 0.00 C ATOM 861 CG GLN A 57 8.024 2.117 -9.216 1.00 0.00 C ATOM 862 CD GLN A 57 7.057 3.061 -8.482 1.00 0.00 C ATOM 863 OE1 GLN A 57 5.938 3.281 -8.939 1.00 0.00 O ATOM 864 NE2 GLN A 57 7.422 3.610 -7.370 1.00 0.00 N ATOM 0 H GLN A 57 8.440 2.170 -6.000 1.00 0.00 H new ATOM 0 HA GLN A 57 6.892 0.429 -7.593 1.00 0.00 H new ATOM 0 HB2 GLN A 57 9.597 1.776 -7.741 1.00 0.00 H new ATOM 0 HB3 GLN A 57 9.345 0.423 -8.826 1.00 0.00 H new ATOM 0 HG2 GLN A 57 8.722 2.710 -9.807 1.00 0.00 H new ATOM 0 HG3 GLN A 57 7.459 1.499 -9.914 1.00 0.00 H new ATOM 0 HE21 GLN A 57 8.351 3.427 -6.992 1.00 0.00 H new ATOM 0 HE22 GLN A 57 6.781 4.227 -6.871 1.00 0.00 H new ATOM 873 N GLN A 58 9.313 -1.050 -5.927 1.00 0.00 N ATOM 874 CA GLN A 58 9.832 -2.378 -5.574 1.00 0.00 C ATOM 875 C GLN A 58 8.704 -3.227 -4.971 1.00 0.00 C ATOM 876 O GLN A 58 8.431 -4.334 -5.434 1.00 0.00 O ATOM 877 CB GLN A 58 11.003 -2.224 -4.567 1.00 0.00 C ATOM 878 CG GLN A 58 11.770 -3.564 -4.399 1.00 0.00 C ATOM 879 CD GLN A 58 12.887 -3.416 -3.370 1.00 0.00 C ATOM 880 OE1 GLN A 58 12.679 -2.815 -2.318 1.00 0.00 O ATOM 881 NE2 GLN A 58 14.061 -3.926 -3.614 1.00 0.00 N ATOM 0 H GLN A 58 9.727 -0.276 -5.407 1.00 0.00 H new ATOM 0 HA GLN A 58 10.204 -2.880 -6.467 1.00 0.00 H new ATOM 0 HB2 GLN A 58 11.687 -1.450 -4.915 1.00 0.00 H new ATOM 0 HB3 GLN A 58 10.617 -1.898 -3.601 1.00 0.00 H new ATOM 0 HG2 GLN A 58 11.080 -4.348 -4.085 1.00 0.00 H new ATOM 0 HG3 GLN A 58 12.189 -3.873 -5.357 1.00 0.00 H new ATOM 0 HE21 GLN A 58 14.229 -4.424 -4.488 1.00 0.00 H new ATOM 0 HE22 GLN A 58 14.812 -3.827 -2.931 1.00 0.00 H new ATOM 890 N MET A 59 8.044 -2.699 -3.921 1.00 0.00 N ATOM 891 CA MET A 59 6.943 -3.413 -3.262 1.00 0.00 C ATOM 892 C MET A 59 5.808 -3.624 -4.250 1.00 0.00 C ATOM 893 O MET A 59 5.112 -4.638 -4.190 1.00 0.00 O ATOM 894 CB MET A 59 6.456 -2.595 -2.043 1.00 0.00 C ATOM 895 CG MET A 59 7.629 -2.338 -1.068 1.00 0.00 C ATOM 896 SD MET A 59 8.146 -3.900 -0.269 1.00 0.00 S ATOM 897 CE MET A 59 9.751 -4.108 -1.087 1.00 0.00 C ATOM 0 H MET A 59 8.256 -1.787 -3.517 1.00 0.00 H new ATOM 0 HA MET A 59 7.290 -4.387 -2.917 1.00 0.00 H new ATOM 0 HB2 MET A 59 6.037 -1.646 -2.377 1.00 0.00 H new ATOM 0 HB3 MET A 59 5.659 -3.133 -1.530 1.00 0.00 H new ATOM 0 HG2 MET A 59 8.470 -1.902 -1.607 1.00 0.00 H new ATOM 0 HG3 MET A 59 7.328 -1.616 -0.309 1.00 0.00 H new ATOM 0 HE1 MET A 59 10.228 -5.019 -0.726 1.00 0.00 H new ATOM 0 HE2 MET A 59 9.604 -4.178 -2.165 1.00 0.00 H new ATOM 0 HE3 MET A 59 10.387 -3.252 -0.862 1.00 0.00 H new ATOM 907 N ARG A 60 5.602 -2.632 -5.138 1.00 0.00 N ATOM 908 CA ARG A 60 4.505 -2.740 -6.102 1.00 0.00 C ATOM 909 C ARG A 60 4.692 -3.987 -6.971 1.00 0.00 C ATOM 910 O ARG A 60 3.756 -4.770 -7.161 1.00 0.00 O ATOM 911 CB ARG A 60 4.504 -1.484 -6.987 1.00 0.00 C ATOM 912 CG ARG A 60 3.253 -1.458 -7.896 1.00 0.00 C ATOM 913 CD ARG A 60 3.281 -0.237 -8.815 1.00 0.00 C ATOM 914 NE ARG A 60 4.405 -0.343 -9.760 1.00 0.00 N ATOM 915 CZ ARG A 60 4.684 0.620 -10.657 1.00 0.00 C ATOM 916 NH1 ARG A 60 3.956 1.709 -10.714 1.00 0.00 N ATOM 917 NH2 ARG A 60 5.685 0.472 -11.474 1.00 0.00 N ATOM 0 H ARG A 60 6.160 -1.781 -5.204 1.00 0.00 H new ATOM 0 HA ARG A 60 3.556 -2.824 -5.573 1.00 0.00 H new ATOM 0 HB2 ARG A 60 4.524 -0.592 -6.361 1.00 0.00 H new ATOM 0 HB3 ARG A 60 5.405 -1.464 -7.599 1.00 0.00 H new ATOM 0 HG2 ARG A 60 3.212 -2.369 -8.494 1.00 0.00 H new ATOM 0 HG3 ARG A 60 2.352 -1.438 -7.283 1.00 0.00 H new ATOM 0 HD2 ARG A 60 2.341 -0.162 -9.362 1.00 0.00 H new ATOM 0 HD3 ARG A 60 3.378 0.672 -8.222 1.00 0.00 H new ATOM 0 HE ARG A 60 4.993 -1.176 -9.734 1.00 0.00 H new ATOM 0 HH11 ARG A 60 3.171 1.831 -10.075 1.00 0.00 H new ATOM 0 HH12 ARG A 60 4.175 2.434 -11.397 1.00 0.00 H new ATOM 0 HH21 ARG A 60 6.256 -0.372 -11.433 1.00 0.00 H new ATOM 0 HH22 ARG A 60 5.899 1.200 -12.155 1.00 0.00 H new ATOM 931 N ASP A 61 5.901 -4.156 -7.516 1.00 0.00 N ATOM 932 CA ASP A 61 6.215 -5.296 -8.372 1.00 0.00 C ATOM 933 C ASP A 61 6.093 -6.589 -7.574 1.00 0.00 C ATOM 934 O ASP A 61 5.657 -7.603 -8.095 1.00 0.00 O ATOM 935 CB ASP A 61 7.664 -5.138 -8.899 1.00 0.00 C ATOM 936 CG ASP A 61 7.790 -3.908 -9.808 1.00 0.00 C ATOM 937 OD1 ASP A 61 6.871 -3.666 -10.575 1.00 0.00 O ATOM 938 OD2 ASP A 61 8.804 -3.234 -9.726 1.00 0.00 O ATOM 0 H ASP A 61 6.679 -3.512 -7.376 1.00 0.00 H new ATOM 0 HA ASP A 61 5.519 -5.334 -9.210 1.00 0.00 H new ATOM 0 HB2 ASP A 61 8.352 -5.045 -8.059 1.00 0.00 H new ATOM 0 HB3 ASP A 61 7.953 -6.033 -9.450 1.00 0.00 H new ATOM 943 N ASP A 62 6.485 -6.532 -6.292 1.00 0.00 N ATOM 944 CA ASP A 62 6.428 -7.703 -5.414 1.00 0.00 C ATOM 945 C ASP A 62 4.983 -8.127 -5.220 1.00 0.00 C ATOM 946 O ASP A 62 4.664 -9.308 -5.270 1.00 0.00 O ATOM 947 CB ASP A 62 7.073 -7.372 -4.045 1.00 0.00 C ATOM 948 CG ASP A 62 7.185 -8.637 -3.173 1.00 0.00 C ATOM 949 OD1 ASP A 62 8.004 -9.481 -3.497 1.00 0.00 O ATOM 950 OD2 ASP A 62 6.437 -8.745 -2.214 1.00 0.00 O ATOM 0 H ASP A 62 6.843 -5.688 -5.844 1.00 0.00 H new ATOM 0 HA ASP A 62 6.982 -8.522 -5.874 1.00 0.00 H new ATOM 0 HB2 ASP A 62 8.063 -6.942 -4.199 1.00 0.00 H new ATOM 0 HB3 ASP A 62 6.476 -6.621 -3.529 1.00 0.00 H new ATOM 955 N LEU A 63 4.106 -7.142 -4.990 1.00 0.00 N ATOM 956 CA LEU A 63 2.699 -7.434 -4.776 1.00 0.00 C ATOM 957 C LEU A 63 2.101 -8.108 -6.002 1.00 0.00 C ATOM 958 O LEU A 63 1.427 -9.126 -5.867 1.00 0.00 O ATOM 959 CB LEU A 63 1.942 -6.127 -4.480 1.00 0.00 C ATOM 960 CG LEU A 63 0.384 -6.357 -4.329 1.00 0.00 C ATOM 961 CD1 LEU A 63 0.082 -7.368 -3.176 1.00 0.00 C ATOM 962 CD2 LEU A 63 -0.297 -5.009 -4.048 1.00 0.00 C ATOM 0 H LEU A 63 4.349 -6.152 -4.949 1.00 0.00 H new ATOM 0 HA LEU A 63 2.606 -8.111 -3.927 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.332 -5.683 -3.564 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.126 -5.413 -5.283 1.00 0.00 H new ATOM 0 HG LEU A 63 -0.007 -6.779 -5.255 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -0.995 -7.511 -3.090 1.00 0.00 H new ATOM 0 HD12 LEU A 63 0.558 -8.323 -3.396 1.00 0.00 H new ATOM 0 HD13 LEU A 63 0.472 -6.976 -2.237 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -1.371 -5.159 -3.943 1.00 0.00 H new ATOM 0 HD22 LEU A 63 0.102 -4.585 -3.127 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -0.106 -4.325 -4.875 1.00 0.00 H new ATOM 974 N GLU A 64 2.316 -7.531 -7.205 1.00 0.00 N ATOM 975 CA GLU A 64 1.753 -8.108 -8.416 1.00 0.00 C ATOM 976 C GLU A 64 2.235 -9.567 -8.577 1.00 0.00 C ATOM 977 O GLU A 64 1.451 -10.469 -8.877 1.00 0.00 O ATOM 978 CB GLU A 64 2.198 -7.229 -9.609 1.00 0.00 C ATOM 979 CG GLU A 64 1.509 -7.678 -10.926 1.00 0.00 C ATOM 980 CD GLU A 64 -0.013 -7.466 -10.866 1.00 0.00 C ATOM 981 OE1 GLU A 64 -0.441 -6.543 -10.184 1.00 0.00 O ATOM 982 OE2 GLU A 64 -0.725 -8.233 -11.489 1.00 0.00 O ATOM 0 H GLU A 64 2.866 -6.684 -7.349 1.00 0.00 H new ATOM 0 HA GLU A 64 0.664 -8.130 -8.369 1.00 0.00 H new ATOM 0 HB2 GLU A 64 1.955 -6.186 -9.406 1.00 0.00 H new ATOM 0 HB3 GLU A 64 3.280 -7.288 -9.724 1.00 0.00 H new ATOM 0 HG2 GLU A 64 1.923 -7.117 -11.764 1.00 0.00 H new ATOM 0 HG3 GLU A 64 1.724 -8.731 -11.110 1.00 0.00 H new ATOM 989 N LYS A 65 3.533 -9.778 -8.376 1.00 0.00 N ATOM 990 CA LYS A 65 4.142 -11.117 -8.494 1.00 0.00 C ATOM 991 C LYS A 65 3.455 -12.110 -7.546 1.00 0.00 C ATOM 992 O LYS A 65 3.186 -13.249 -7.923 1.00 0.00 O ATOM 993 CB LYS A 65 5.661 -10.993 -8.155 1.00 0.00 C ATOM 994 CG LYS A 65 6.447 -10.230 -9.287 1.00 0.00 C ATOM 995 CD LYS A 65 6.832 -11.198 -10.449 1.00 0.00 C ATOM 996 CE LYS A 65 7.536 -10.435 -11.580 1.00 0.00 C ATOM 997 NZ LYS A 65 7.885 -11.399 -12.655 1.00 0.00 N ATOM 0 H LYS A 65 4.193 -9.041 -8.129 1.00 0.00 H new ATOM 0 HA LYS A 65 4.017 -11.494 -9.509 1.00 0.00 H new ATOM 0 HB2 LYS A 65 5.781 -10.466 -7.209 1.00 0.00 H new ATOM 0 HB3 LYS A 65 6.087 -11.987 -8.022 1.00 0.00 H new ATOM 0 HG2 LYS A 65 5.835 -9.416 -9.675 1.00 0.00 H new ATOM 0 HG3 LYS A 65 7.348 -9.780 -8.870 1.00 0.00 H new ATOM 0 HD2 LYS A 65 7.486 -11.985 -10.072 1.00 0.00 H new ATOM 0 HD3 LYS A 65 5.937 -11.685 -10.835 1.00 0.00 H new ATOM 0 HE2 LYS A 65 6.886 -9.652 -11.970 1.00 0.00 H new ATOM 0 HE3 LYS A 65 8.434 -9.945 -11.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 8.363 -10.897 -13.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 8.518 -12.130 -12.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 7.018 -11.846 -13.016 1.00 0.00 H new ATOM 1011 N GLU A 66 3.155 -11.655 -6.331 1.00 0.00 N ATOM 1012 CA GLU A 66 2.469 -12.484 -5.330 1.00 0.00 C ATOM 1013 C GLU A 66 0.977 -12.579 -5.661 1.00 0.00 C ATOM 1014 O GLU A 66 0.362 -13.613 -5.417 1.00 0.00 O ATOM 1015 CB GLU A 66 2.681 -11.868 -3.924 1.00 0.00 C ATOM 1016 CG GLU A 66 4.173 -11.990 -3.498 1.00 0.00 C ATOM 1017 CD GLU A 66 4.403 -11.319 -2.139 1.00 0.00 C ATOM 1018 OE1 GLU A 66 3.880 -10.232 -1.947 1.00 0.00 O ATOM 1019 OE2 GLU A 66 5.087 -11.903 -1.316 1.00 0.00 O ATOM 0 H GLU A 66 3.376 -10.712 -6.011 1.00 0.00 H new ATOM 0 HA GLU A 66 2.884 -13.492 -5.341 1.00 0.00 H new ATOM 0 HB2 GLU A 66 2.383 -10.820 -3.930 1.00 0.00 H new ATOM 0 HB3 GLU A 66 2.046 -12.376 -3.198 1.00 0.00 H new ATOM 0 HG2 GLU A 66 4.456 -13.041 -3.443 1.00 0.00 H new ATOM 0 HG3 GLU A 66 4.811 -11.527 -4.251 1.00 0.00 H new ATOM 1026 N ARG A 67 0.389 -11.495 -6.218 1.00 0.00 N ATOM 1027 CA ARG A 67 -1.018 -11.461 -6.558 1.00 0.00 C ATOM 1028 C ARG A 67 -1.410 -12.674 -7.419 1.00 0.00 C ATOM 1029 O ARG A 67 -2.475 -13.252 -7.239 1.00 0.00 O ATOM 1030 CB ARG A 67 -1.332 -10.133 -7.313 1.00 0.00 C ATOM 1031 CG ARG A 67 -2.857 -9.912 -7.396 1.00 0.00 C ATOM 1032 CD ARG A 67 -3.203 -8.629 -8.180 1.00 0.00 C ATOM 1033 NE ARG A 67 -4.661 -8.429 -8.169 1.00 0.00 N ATOM 1034 CZ ARG A 67 -5.504 -9.192 -8.894 1.00 0.00 C ATOM 1035 NH1 ARG A 67 -5.048 -10.157 -9.657 1.00 0.00 N ATOM 1036 NH2 ARG A 67 -6.784 -8.974 -8.834 1.00 0.00 N ATOM 0 H ARG A 67 0.889 -10.633 -6.436 1.00 0.00 H new ATOM 0 HA ARG A 67 -1.603 -11.506 -5.640 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -0.864 -9.294 -6.798 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -0.908 -10.168 -8.316 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -3.324 -10.771 -7.878 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -3.271 -9.847 -6.390 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -2.703 -7.770 -7.732 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -2.843 -8.708 -9.206 1.00 0.00 H new ATOM 0 HE ARG A 67 -5.049 -7.684 -7.590 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -4.045 -10.337 -9.707 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -5.696 -10.727 -10.200 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -7.147 -8.228 -8.240 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -7.425 -9.549 -9.381 1.00 0.00 H new ATOM 1050 N GLU A 68 -0.519 -13.045 -8.344 1.00 0.00 N ATOM 1051 CA GLU A 68 -0.759 -14.204 -9.235 1.00 0.00 C ATOM 1052 C GLU A 68 -0.977 -15.477 -8.399 1.00 0.00 C ATOM 1053 O GLU A 68 -2.063 -16.061 -8.416 1.00 0.00 O ATOM 1054 CB GLU A 68 0.464 -14.392 -10.164 1.00 0.00 C ATOM 1055 CG GLU A 68 0.673 -13.141 -11.059 1.00 0.00 C ATOM 1056 CD GLU A 68 -0.498 -12.945 -12.035 1.00 0.00 C ATOM 1057 OE1 GLU A 68 -0.836 -13.900 -12.714 1.00 0.00 O ATOM 1058 OE2 GLU A 68 -1.051 -11.856 -12.069 1.00 0.00 O ATOM 0 H GLU A 68 0.370 -12.570 -8.501 1.00 0.00 H new ATOM 0 HA GLU A 68 -1.651 -14.021 -9.834 1.00 0.00 H new ATOM 0 HB2 GLU A 68 1.357 -14.570 -9.565 1.00 0.00 H new ATOM 0 HB3 GLU A 68 0.319 -15.273 -10.790 1.00 0.00 H new ATOM 0 HG2 GLU A 68 0.777 -12.256 -10.431 1.00 0.00 H new ATOM 0 HG3 GLU A 68 1.602 -13.244 -11.620 1.00 0.00 H new ATOM 1065 N ASP A 69 0.074 -15.904 -7.679 1.00 0.00 N ATOM 1066 CA ASP A 69 -0.006 -17.115 -6.845 1.00 0.00 C ATOM 1067 C ASP A 69 -1.157 -16.983 -5.836 1.00 0.00 C ATOM 1068 O ASP A 69 -1.852 -17.955 -5.544 1.00 0.00 O ATOM 1069 CB ASP A 69 1.336 -17.325 -6.090 1.00 0.00 C ATOM 1070 CG ASP A 69 1.308 -18.616 -5.253 1.00 0.00 C ATOM 1071 OD1 ASP A 69 1.345 -19.680 -5.844 1.00 0.00 O ATOM 1072 OD2 ASP A 69 1.223 -18.515 -4.036 1.00 0.00 O ATOM 0 H ASP A 69 0.979 -15.435 -7.657 1.00 0.00 H new ATOM 0 HA ASP A 69 -0.194 -17.976 -7.487 1.00 0.00 H new ATOM 0 HB2 ASP A 69 2.156 -17.371 -6.807 1.00 0.00 H new ATOM 0 HB3 ASP A 69 1.528 -16.471 -5.440 1.00 0.00 H new ATOM 1077 N LEU A 70 -1.331 -15.763 -5.299 1.00 0.00 N ATOM 1078 CA LEU A 70 -2.390 -15.500 -4.308 1.00 0.00 C ATOM 1079 C LEU A 70 -3.780 -15.699 -4.923 1.00 0.00 C ATOM 1080 O LEU A 70 -4.673 -16.266 -4.294 1.00 0.00 O ATOM 1081 CB LEU A 70 -2.271 -14.046 -3.758 1.00 0.00 C ATOM 1082 CG LEU A 70 -3.123 -13.841 -2.432 1.00 0.00 C ATOM 1083 CD1 LEU A 70 -2.318 -14.307 -1.183 1.00 0.00 C ATOM 1084 CD2 LEU A 70 -3.515 -12.345 -2.261 1.00 0.00 C ATOM 0 H LEU A 70 -0.759 -14.951 -5.531 1.00 0.00 H new ATOM 0 HA LEU A 70 -2.263 -16.209 -3.490 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -1.224 -13.819 -3.555 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -2.608 -13.342 -4.518 1.00 0.00 H new ATOM 0 HG LEU A 70 -4.027 -14.443 -2.520 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -2.919 -14.158 -0.286 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -2.071 -15.364 -1.283 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -1.399 -13.726 -1.105 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -4.098 -12.224 -1.348 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -2.612 -11.737 -2.199 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -4.110 -12.025 -3.116 1.00 0.00 H new ATOM 1096 N ASP A 71 -3.951 -15.201 -6.153 1.00 0.00 N ATOM 1097 CA ASP A 71 -5.240 -15.301 -6.859 1.00 0.00 C ATOM 1098 C ASP A 71 -5.640 -16.772 -7.006 1.00 0.00 C ATOM 1099 O ASP A 71 -6.793 -17.137 -6.777 1.00 0.00 O ATOM 1100 CB ASP A 71 -5.133 -14.638 -8.258 1.00 0.00 C ATOM 1101 CG ASP A 71 -6.490 -14.665 -8.991 1.00 0.00 C ATOM 1102 OD1 ASP A 71 -7.401 -14.001 -8.525 1.00 0.00 O ATOM 1103 OD2 ASP A 71 -6.597 -15.363 -9.986 1.00 0.00 O ATOM 0 H ASP A 71 -3.219 -14.726 -6.681 1.00 0.00 H new ATOM 0 HA ASP A 71 -6.003 -14.781 -6.280 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -4.795 -13.607 -8.150 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -4.384 -15.159 -8.854 1.00 0.00 H new ATOM 1108 N LEU A 72 -4.666 -17.607 -7.402 1.00 0.00 N ATOM 1109 CA LEU A 72 -4.912 -19.039 -7.589 1.00 0.00 C ATOM 1110 C LEU A 72 -5.295 -19.692 -6.255 1.00 0.00 C ATOM 1111 O LEU A 72 -6.233 -20.487 -6.184 1.00 0.00 O ATOM 1112 CB LEU A 72 -3.634 -19.722 -8.168 1.00 0.00 C ATOM 1113 CG LEU A 72 -3.945 -21.187 -8.704 1.00 0.00 C ATOM 1114 CD1 LEU A 72 -4.527 -21.127 -10.152 1.00 0.00 C ATOM 1115 CD2 LEU A 72 -2.659 -22.059 -8.705 1.00 0.00 C ATOM 0 H LEU A 72 -3.708 -17.314 -7.597 1.00 0.00 H new ATOM 0 HA LEU A 72 -5.737 -19.167 -8.290 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -3.232 -19.115 -8.979 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -2.866 -19.772 -7.396 1.00 0.00 H new ATOM 0 HG LEU A 72 -4.680 -21.637 -8.036 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -4.734 -22.138 -10.503 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -5.450 -20.548 -10.149 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -3.803 -20.653 -10.816 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -2.896 -23.056 -9.075 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -1.909 -21.601 -9.350 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -2.268 -22.132 -7.690 1.00 0.00 H new ATOM 1127 N ASP A 73 -4.548 -19.345 -5.199 1.00 0.00 N ATOM 1128 CA ASP A 73 -4.797 -19.894 -3.859 1.00 0.00 C ATOM 1129 C ASP A 73 -6.149 -19.390 -3.347 1.00 0.00 C ATOM 1130 O ASP A 73 -6.552 -18.265 -3.649 1.00 0.00 O ATOM 1131 CB ASP A 73 -3.667 -19.460 -2.896 1.00 0.00 C ATOM 1132 CG ASP A 73 -2.314 -19.976 -3.401 1.00 0.00 C ATOM 1133 OD1 ASP A 73 -2.264 -21.115 -3.843 1.00 0.00 O ATOM 1134 OD2 ASP A 73 -1.350 -19.229 -3.342 1.00 0.00 O ATOM 0 H ASP A 73 -3.769 -18.689 -5.246 1.00 0.00 H new ATOM 0 HA ASP A 73 -4.816 -20.983 -3.909 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -3.644 -18.373 -2.817 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -3.862 -19.848 -1.896 1.00 0.00 H new ATOM 1139 N HIS A 74 -6.849 -20.231 -2.578 1.00 0.00 N ATOM 1140 CA HIS A 74 -8.159 -19.864 -2.034 1.00 0.00 C ATOM 1141 C HIS A 74 -8.027 -18.665 -1.092 1.00 0.00 C ATOM 1142 O HIS A 74 -9.012 -17.983 -0.803 1.00 0.00 O ATOM 1143 CB HIS A 74 -8.763 -21.080 -1.287 1.00 0.00 C ATOM 1144 CG HIS A 74 -10.165 -20.766 -0.819 1.00 0.00 C ATOM 1145 ND1 HIS A 74 -10.410 -20.102 0.370 1.00 0.00 N ATOM 1146 CD2 HIS A 74 -11.391 -20.973 -1.396 1.00 0.00 C ATOM 1147 CE1 HIS A 74 -11.740 -19.929 0.470 1.00 0.00 C ATOM 1148 NE2 HIS A 74 -12.386 -20.441 -0.582 1.00 0.00 N ATOM 0 H HIS A 74 -6.532 -21.165 -2.320 1.00 0.00 H new ATOM 0 HA HIS A 74 -8.823 -19.581 -2.851 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -8.778 -21.949 -1.945 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -8.137 -21.338 -0.433 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -11.559 -21.473 -2.339 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -12.226 -19.437 1.299 1.00 0.00 H new ATOM 0 HE2 HIS A 74 -13.392 -20.442 -0.752 1.00 0.00 H new ATOM 1156 N SER A 75 -6.801 -18.428 -0.608 1.00 0.00 N ATOM 1157 CA SER A 75 -6.533 -17.319 0.316 1.00 0.00 C ATOM 1158 C SER A 75 -7.501 -17.358 1.505 1.00 0.00 C ATOM 1159 O SER A 75 -7.987 -16.324 1.974 1.00 0.00 O ATOM 1160 CB SER A 75 -6.640 -15.974 -0.424 1.00 0.00 C ATOM 1161 OG SER A 75 -6.367 -14.916 0.487 1.00 0.00 O ATOM 0 H SER A 75 -5.981 -18.988 -0.840 1.00 0.00 H new ATOM 0 HA SER A 75 -5.519 -17.426 0.701 1.00 0.00 H new ATOM 0 HB2 SER A 75 -5.935 -15.945 -1.255 1.00 0.00 H new ATOM 0 HB3 SER A 75 -7.637 -15.857 -0.848 1.00 0.00 H new ATOM 0 HG SER A 75 -6.832 -15.085 1.333 1.00 0.00 H new ATOM 1167 N SER A 76 -7.783 -18.579 1.979 1.00 0.00 N ATOM 1168 CA SER A 76 -8.700 -18.781 3.109 1.00 0.00 C ATOM 1169 C SER A 76 -8.171 -18.070 4.353 1.00 0.00 C ATOM 1170 O SER A 76 -8.925 -17.779 5.283 1.00 0.00 O ATOM 1171 CB SER A 76 -8.834 -20.285 3.417 1.00 0.00 C ATOM 1172 OG SER A 76 -7.575 -20.780 3.856 1.00 0.00 O ATOM 0 H SER A 76 -7.390 -19.440 1.599 1.00 0.00 H new ATOM 0 HA SER A 76 -9.673 -18.370 2.839 1.00 0.00 H new ATOM 0 HB2 SER A 76 -9.591 -20.446 4.185 1.00 0.00 H new ATOM 0 HB3 SER A 76 -9.162 -20.824 2.528 1.00 0.00 H new ATOM 0 HG SER A 76 -7.651 -21.736 4.056 1.00 0.00 H new ATOM 1178 N LEU A 77 -6.860 -17.816 4.367 1.00 0.00 N ATOM 1179 CA LEU A 77 -6.212 -17.162 5.504 1.00 0.00 C ATOM 1180 C LEU A 77 -6.669 -15.683 5.627 1.00 0.00 C ATOM 1181 O LEU A 77 -6.897 -15.053 4.595 1.00 0.00 O ATOM 1182 CB LEU A 77 -4.670 -17.218 5.326 1.00 0.00 C ATOM 1183 CG LEU A 77 -4.168 -18.689 5.092 1.00 0.00 C ATOM 1184 CD1 LEU A 77 -2.626 -18.689 4.893 1.00 0.00 C ATOM 1185 CD2 LEU A 77 -4.538 -19.619 6.292 1.00 0.00 C ATOM 0 H LEU A 77 -6.227 -18.054 3.603 1.00 0.00 H new ATOM 0 HA LEU A 77 -6.498 -17.688 6.415 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -4.378 -16.594 4.481 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -4.186 -16.804 6.210 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.661 -19.074 4.199 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -2.280 -19.710 4.731 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -2.371 -18.078 4.027 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -2.145 -18.279 5.781 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -4.175 -20.628 6.096 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -4.076 -19.238 7.203 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -5.621 -19.640 6.415 1.00 0.00 H new ATOM 1197 N PRO A 78 -6.780 -15.103 6.841 1.00 0.00 N ATOM 1198 CA PRO A 78 -7.188 -13.659 7.017 1.00 0.00 C ATOM 1199 C PRO A 78 -6.490 -12.707 6.026 1.00 0.00 C ATOM 1200 O PRO A 78 -7.041 -11.655 5.758 1.00 0.00 O ATOM 1201 CB PRO A 78 -6.776 -13.349 8.486 1.00 0.00 C ATOM 1202 CG PRO A 78 -6.940 -14.667 9.198 1.00 0.00 C ATOM 1203 CD PRO A 78 -6.549 -15.748 8.167 1.00 0.00 C ATOM 1204 OXT PRO A 78 -5.413 -13.053 5.565 1.00 0.00 O ATOM 0 HA PRO A 78 -8.249 -13.510 6.819 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -5.749 -12.989 8.545 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -7.410 -12.578 8.924 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -6.302 -14.718 10.080 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -7.966 -14.803 9.539 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -5.509 -16.051 8.285 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -7.157 -16.645 8.283 1.00 0.00 H new TER 1212 PRO A 78