USER MOD reduce.3.24.130724 H: found=0, std=0, add=378, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 378 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 Single : A2034 THR OG1 : rot 180:sc= 0 USER MOD Single : A2040 ASN : amide:sc= 0.809 K(o=0.81,f=-13!) USER MOD Single : A2041 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2045 THR OG1 : rot -17:sc= 1.16 USER MOD Single : A2060 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A2063 GLN : amide:sc= 0 K(o=0,f=-1.9) USER MOD Single : A2065 HIS : no HE2:sc= 0.372 K(o=0.37,f=-1.2) USER MOD Single : A2077 TYR OH : rot 180:sc= 0 USER MOD Single : A2078 MET CE :methyl 159:sc= -0.159 (180deg=-0.67) USER MOD ----------------------------------------------------------------- ATOM 60 N LEU A2032 8.259 -6.578 -2.167 1.00 0.00 N ATOM 61 CA LEU A2032 8.511 -5.244 -2.765 1.00 0.00 C ATOM 62 C LEU A2032 8.135 -5.141 -4.252 1.00 0.00 C ATOM 63 O LEU A2032 8.043 -4.034 -4.799 1.00 0.00 O ATOM 64 CB LEU A2032 9.972 -4.808 -2.570 1.00 0.00 C ATOM 65 CG LEU A2032 10.496 -4.751 -1.132 1.00 0.00 C ATOM 66 CD1 LEU A2032 11.953 -4.359 -1.128 1.00 0.00 C ATOM 67 CD2 LEU A2032 9.689 -3.785 -0.289 1.00 0.00 C ATOM 0 HA LEU A2032 7.849 -4.567 -2.225 1.00 0.00 H new ATOM 0 HB2 LEU A2032 10.607 -5.490 -3.135 1.00 0.00 H new ATOM 0 HB3 LEU A2032 10.092 -3.820 -3.014 1.00 0.00 H new ATOM 0 HG LEU A2032 10.391 -5.744 -0.694 1.00 0.00 H new ATOM 0 HD11 LEU A2032 12.317 -4.321 -0.101 1.00 0.00 H new ATOM 0 HD12 LEU A2032 12.529 -5.094 -1.690 1.00 0.00 H new ATOM 0 HD13 LEU A2032 12.067 -3.378 -1.590 1.00 0.00 H new ATOM 0 HD21 LEU A2032 10.086 -3.768 0.726 1.00 0.00 H new ATOM 0 HD22 LEU A2032 9.752 -2.786 -0.720 1.00 0.00 H new ATOM 0 HD23 LEU A2032 8.647 -4.105 -0.265 1.00 0.00 H new ATOM 79 N GLU A2033 7.848 -6.259 -4.863 1.00 0.00 N ATOM 80 CA GLU A2033 7.632 -6.347 -6.299 1.00 0.00 C ATOM 81 C GLU A2033 6.208 -5.979 -6.735 1.00 0.00 C ATOM 82 O GLU A2033 5.835 -6.212 -7.873 1.00 0.00 O ATOM 83 CB GLU A2033 7.941 -7.753 -6.789 1.00 0.00 C ATOM 84 CG GLU A2033 7.101 -8.816 -6.109 1.00 0.00 C ATOM 85 CD GLU A2033 7.089 -10.097 -6.868 1.00 0.00 C ATOM 86 OE1 GLU A2033 6.287 -10.210 -7.829 1.00 0.00 O ATOM 87 OE2 GLU A2033 7.862 -11.007 -6.542 1.00 0.00 O ATOM 0 H GLU A2033 7.754 -7.152 -4.379 1.00 0.00 H new ATOM 0 HA GLU A2033 8.307 -5.616 -6.745 1.00 0.00 H new ATOM 0 HB2 GLU A2033 7.776 -7.801 -7.865 1.00 0.00 H new ATOM 0 HB3 GLU A2033 8.996 -7.967 -6.618 1.00 0.00 H new ATOM 0 HG2 GLU A2033 7.487 -8.994 -5.105 1.00 0.00 H new ATOM 0 HG3 GLU A2033 6.079 -8.453 -5.997 1.00 0.00 H new ATOM 94 N THR A2034 5.436 -5.405 -5.872 1.00 0.00 N ATOM 95 CA THR A2034 4.093 -5.050 -6.234 1.00 0.00 C ATOM 96 C THR A2034 3.943 -3.518 -6.138 1.00 0.00 C ATOM 97 O THR A2034 4.895 -2.832 -5.724 1.00 0.00 O ATOM 98 CB THR A2034 3.049 -5.795 -5.338 1.00 0.00 C ATOM 99 OG1 THR A2034 1.741 -5.694 -5.901 1.00 0.00 O ATOM 100 CG2 THR A2034 3.027 -5.227 -3.932 1.00 0.00 C ATOM 0 H THR A2034 5.704 -5.171 -4.916 1.00 0.00 H new ATOM 0 HA THR A2034 3.895 -5.362 -7.260 1.00 0.00 H new ATOM 0 HB THR A2034 3.348 -6.842 -5.293 1.00 0.00 H new ATOM 0 HG1 THR A2034 1.101 -6.167 -5.329 1.00 0.00 H new ATOM 0 HG21 THR A2034 2.292 -5.765 -3.334 1.00 0.00 H new ATOM 0 HG22 THR A2034 4.013 -5.336 -3.480 1.00 0.00 H new ATOM 0 HG23 THR A2034 2.760 -4.171 -3.970 1.00 0.00 H new ATOM 108 N ARG A2035 2.815 -2.993 -6.554 1.00 0.00 N ATOM 109 CA ARG A2035 2.536 -1.570 -6.474 1.00 0.00 C ATOM 110 C ARG A2035 1.455 -1.331 -5.451 1.00 0.00 C ATOM 111 O ARG A2035 0.333 -1.844 -5.584 1.00 0.00 O ATOM 112 CB ARG A2035 2.150 -0.999 -7.831 1.00 0.00 C ATOM 113 CG ARG A2035 3.292 -1.050 -8.816 1.00 0.00 C ATOM 114 CD ARG A2035 2.949 -0.370 -10.104 1.00 0.00 C ATOM 115 NE ARG A2035 1.856 -1.020 -10.828 1.00 0.00 N ATOM 116 CZ ARG A2035 1.769 -1.090 -12.158 1.00 0.00 C ATOM 117 NH1 ARG A2035 2.747 -0.608 -12.932 1.00 0.00 N ATOM 118 NH2 ARG A2035 0.704 -1.642 -12.718 1.00 0.00 N ATOM 0 H ARG A2035 2.057 -3.541 -6.961 1.00 0.00 H new ATOM 0 HA ARG A2035 3.442 -1.051 -6.162 1.00 0.00 H new ATOM 0 HB2 ARG A2035 1.303 -1.557 -8.230 1.00 0.00 H new ATOM 0 HB3 ARG A2035 1.823 0.034 -7.709 1.00 0.00 H new ATOM 0 HG2 ARG A2035 4.171 -0.576 -8.378 1.00 0.00 H new ATOM 0 HG3 ARG A2035 3.555 -2.089 -9.013 1.00 0.00 H new ATOM 0 HD2 ARG A2035 2.675 0.665 -9.899 1.00 0.00 H new ATOM 0 HD3 ARG A2035 3.833 -0.345 -10.741 1.00 0.00 H new ATOM 0 HE ARG A2035 1.110 -1.448 -10.279 1.00 0.00 H new ATOM 0 HH11 ARG A2035 3.570 -0.181 -12.507 1.00 0.00 H new ATOM 0 HH12 ARG A2035 2.670 -0.667 -13.947 1.00 0.00 H new ATOM 0 HH21 ARG A2035 -0.046 -2.012 -12.133 1.00 0.00 H new ATOM 0 HH22 ARG A2035 0.633 -1.698 -13.734 1.00 0.00 H new ATOM 132 N ILE A2036 1.785 -0.575 -4.438 1.00 0.00 N ATOM 133 CA ILE A2036 0.893 -0.365 -3.318 1.00 0.00 C ATOM 134 C ILE A2036 0.078 0.898 -3.507 1.00 0.00 C ATOM 135 O ILE A2036 0.643 1.968 -3.734 1.00 0.00 O ATOM 136 CB ILE A2036 1.684 -0.247 -1.990 1.00 0.00 C ATOM 137 CG1 ILE A2036 2.539 -1.486 -1.746 1.00 0.00 C ATOM 138 CG2 ILE A2036 0.760 0.007 -0.800 1.00 0.00 C ATOM 139 CD1 ILE A2036 1.768 -2.781 -1.611 1.00 0.00 C ATOM 0 H ILE A2036 2.677 -0.086 -4.361 1.00 0.00 H new ATOM 0 HA ILE A2036 0.229 -1.228 -3.271 1.00 0.00 H new ATOM 0 HB ILE A2036 2.345 0.614 -2.088 1.00 0.00 H new ATOM 0 HG12 ILE A2036 3.248 -1.587 -2.568 1.00 0.00 H new ATOM 0 HG13 ILE A2036 3.123 -1.333 -0.839 1.00 0.00 H new ATOM 0 HG21 ILE A2036 1.353 0.083 0.111 1.00 0.00 H new ATOM 0 HG22 ILE A2036 0.213 0.937 -0.956 1.00 0.00 H new ATOM 0 HG23 ILE A2036 0.054 -0.818 -0.705 1.00 0.00 H new ATOM 0 HD11 ILE A2036 2.464 -3.603 -1.440 1.00 0.00 H new ATOM 0 HD12 ILE A2036 1.079 -2.708 -0.770 1.00 0.00 H new ATOM 0 HD13 ILE A2036 1.205 -2.967 -2.526 1.00 0.00 H new ATOM 151 N PRO A2037 -1.260 0.790 -3.429 1.00 0.00 N ATOM 152 CA PRO A2037 -2.126 1.945 -3.506 1.00 0.00 C ATOM 153 C PRO A2037 -1.910 2.872 -2.302 1.00 0.00 C ATOM 154 O PRO A2037 -1.790 2.416 -1.149 1.00 0.00 O ATOM 155 CB PRO A2037 -3.544 1.352 -3.499 1.00 0.00 C ATOM 156 CG PRO A2037 -3.397 -0.007 -2.908 1.00 0.00 C ATOM 157 CD PRO A2037 -2.019 -0.471 -3.266 1.00 0.00 C ATOM 0 HA PRO A2037 -1.934 2.554 -4.389 1.00 0.00 H new ATOM 0 HB2 PRO A2037 -4.225 1.966 -2.909 1.00 0.00 H new ATOM 0 HB3 PRO A2037 -3.954 1.300 -4.508 1.00 0.00 H new ATOM 0 HG2 PRO A2037 -3.529 0.022 -1.826 1.00 0.00 H new ATOM 0 HG3 PRO A2037 -4.152 -0.687 -3.303 1.00 0.00 H new ATOM 0 HD2 PRO A2037 -1.591 -1.099 -2.484 1.00 0.00 H new ATOM 0 HD3 PRO A2037 -2.020 -1.060 -4.183 1.00 0.00 H new ATOM 165 N VAL A2038 -1.834 4.140 -2.568 1.00 0.00 N ATOM 166 CA VAL A2038 -1.624 5.128 -1.537 1.00 0.00 C ATOM 167 C VAL A2038 -2.695 6.169 -1.605 1.00 0.00 C ATOM 168 O VAL A2038 -3.319 6.360 -2.653 1.00 0.00 O ATOM 169 CB VAL A2038 -0.235 5.816 -1.635 1.00 0.00 C ATOM 170 CG1 VAL A2038 0.871 4.844 -1.314 1.00 0.00 C ATOM 171 CG2 VAL A2038 -0.018 6.414 -3.016 1.00 0.00 C ATOM 0 H VAL A2038 -1.915 4.527 -3.508 1.00 0.00 H new ATOM 0 HA VAL A2038 -1.662 4.601 -0.584 1.00 0.00 H new ATOM 0 HB VAL A2038 -0.214 6.622 -0.902 1.00 0.00 H new ATOM 0 HG11 VAL A2038 1.833 5.350 -1.390 1.00 0.00 H new ATOM 0 HG12 VAL A2038 0.739 4.465 -0.301 1.00 0.00 H new ATOM 0 HG13 VAL A2038 0.841 4.013 -2.019 1.00 0.00 H new ATOM 0 HG21 VAL A2038 0.962 6.889 -3.057 1.00 0.00 H new ATOM 0 HG22 VAL A2038 -0.070 5.625 -3.766 1.00 0.00 H new ATOM 0 HG23 VAL A2038 -0.790 7.157 -3.216 1.00 0.00 H new ATOM 181 N ILE A2039 -2.912 6.840 -0.522 1.00 0.00 N ATOM 182 CA ILE A2039 -3.912 7.851 -0.467 1.00 0.00 C ATOM 183 C ILE A2039 -3.341 9.114 0.158 1.00 0.00 C ATOM 184 O ILE A2039 -2.556 9.052 1.114 1.00 0.00 O ATOM 185 CB ILE A2039 -5.185 7.361 0.309 1.00 0.00 C ATOM 186 CG1 ILE A2039 -6.292 8.438 0.292 1.00 0.00 C ATOM 187 CG2 ILE A2039 -4.841 6.945 1.744 1.00 0.00 C ATOM 188 CD1 ILE A2039 -7.585 8.017 0.961 1.00 0.00 C ATOM 0 H ILE A2039 -2.400 6.702 0.349 1.00 0.00 H new ATOM 0 HA ILE A2039 -4.226 8.077 -1.486 1.00 0.00 H new ATOM 0 HB ILE A2039 -5.566 6.479 -0.205 1.00 0.00 H new ATOM 0 HG12 ILE A2039 -5.917 9.335 0.785 1.00 0.00 H new ATOM 0 HG13 ILE A2039 -6.504 8.708 -0.743 1.00 0.00 H new ATOM 0 HG21 ILE A2039 -5.745 6.611 2.253 1.00 0.00 H new ATOM 0 HG22 ILE A2039 -4.115 6.132 1.723 1.00 0.00 H new ATOM 0 HG23 ILE A2039 -4.418 7.796 2.278 1.00 0.00 H new ATOM 0 HD11 ILE A2039 -8.307 8.832 0.904 1.00 0.00 H new ATOM 0 HD12 ILE A2039 -7.988 7.140 0.455 1.00 0.00 H new ATOM 0 HD13 ILE A2039 -7.392 7.776 2.006 1.00 0.00 H new ATOM 200 N ASN A2040 -3.666 10.234 -0.423 1.00 0.00 N ATOM 201 CA ASN A2040 -3.288 11.510 0.134 1.00 0.00 C ATOM 202 C ASN A2040 -4.284 11.821 1.242 1.00 0.00 C ATOM 203 O ASN A2040 -5.482 11.907 0.994 1.00 0.00 O ATOM 204 CB ASN A2040 -3.298 12.607 -0.961 1.00 0.00 C ATOM 205 CG ASN A2040 -2.834 13.991 -0.478 1.00 0.00 C ATOM 206 OD1 ASN A2040 -3.022 14.365 0.667 1.00 0.00 O ATOM 207 ND2 ASN A2040 -2.256 14.756 -1.357 1.00 0.00 N ATOM 0 H ASN A2040 -4.198 10.293 -1.292 1.00 0.00 H new ATOM 0 HA ASN A2040 -2.275 11.480 0.534 1.00 0.00 H new ATOM 0 HB2 ASN A2040 -2.657 12.289 -1.783 1.00 0.00 H new ATOM 0 HB3 ASN A2040 -4.308 12.695 -1.361 1.00 0.00 H new ATOM 0 HD21 ASN A2040 -1.948 15.692 -1.094 1.00 0.00 H new ATOM 0 HD22 ASN A2040 -2.110 14.419 -2.309 1.00 0.00 H new ATOM 214 N LYS A2041 -3.795 11.938 2.442 1.00 0.00 N ATOM 215 CA LYS A2041 -4.620 12.159 3.612 1.00 0.00 C ATOM 216 C LYS A2041 -5.160 13.581 3.692 1.00 0.00 C ATOM 217 O LYS A2041 -6.172 13.829 4.348 1.00 0.00 O ATOM 218 CB LYS A2041 -3.851 11.792 4.863 1.00 0.00 C ATOM 219 CG LYS A2041 -3.513 10.314 4.908 1.00 0.00 C ATOM 220 CD LYS A2041 -2.685 9.947 6.117 1.00 0.00 C ATOM 221 CE LYS A2041 -3.411 10.210 7.423 1.00 0.00 C ATOM 222 NZ LYS A2041 -2.632 9.750 8.590 1.00 0.00 N ATOM 0 H LYS A2041 -2.797 11.883 2.647 1.00 0.00 H new ATOM 0 HA LYS A2041 -5.491 11.510 3.526 1.00 0.00 H new ATOM 0 HB2 LYS A2041 -2.932 12.376 4.908 1.00 0.00 H new ATOM 0 HB3 LYS A2041 -4.440 12.056 5.741 1.00 0.00 H new ATOM 0 HG2 LYS A2041 -4.436 9.734 4.914 1.00 0.00 H new ATOM 0 HG3 LYS A2041 -2.970 10.041 4.003 1.00 0.00 H new ATOM 0 HD2 LYS A2041 -2.415 8.892 6.062 1.00 0.00 H new ATOM 0 HD3 LYS A2041 -1.755 10.515 6.102 1.00 0.00 H new ATOM 0 HE2 LYS A2041 -3.611 11.277 7.518 1.00 0.00 H new ATOM 0 HE3 LYS A2041 -4.377 9.705 7.409 1.00 0.00 H new ATOM 0 HZ1 LYS A2041 -3.163 9.948 9.462 1.00 0.00 H new ATOM 0 HZ2 LYS A2041 -2.463 8.727 8.513 1.00 0.00 H new ATOM 0 HZ3 LYS A2041 -1.721 10.251 8.618 1.00 0.00 H new ATOM 236 N VAL A2042 -4.500 14.493 3.015 1.00 0.00 N ATOM 237 CA VAL A2042 -4.900 15.884 3.007 1.00 0.00 C ATOM 238 C VAL A2042 -5.931 16.118 1.899 1.00 0.00 C ATOM 239 O VAL A2042 -7.007 16.675 2.136 1.00 0.00 O ATOM 240 CB VAL A2042 -3.677 16.819 2.788 1.00 0.00 C ATOM 241 CG1 VAL A2042 -4.080 18.288 2.854 1.00 0.00 C ATOM 242 CG2 VAL A2042 -2.580 16.521 3.803 1.00 0.00 C ATOM 0 H VAL A2042 -3.672 14.293 2.455 1.00 0.00 H new ATOM 0 HA VAL A2042 -5.340 16.118 3.977 1.00 0.00 H new ATOM 0 HB VAL A2042 -3.288 16.623 1.789 1.00 0.00 H new ATOM 0 HG11 VAL A2042 -3.201 18.914 2.697 1.00 0.00 H new ATOM 0 HG12 VAL A2042 -4.818 18.498 2.080 1.00 0.00 H new ATOM 0 HG13 VAL A2042 -4.509 18.504 3.832 1.00 0.00 H new ATOM 0 HG21 VAL A2042 -1.734 17.187 3.631 1.00 0.00 H new ATOM 0 HG22 VAL A2042 -2.965 16.676 4.811 1.00 0.00 H new ATOM 0 HG23 VAL A2042 -2.255 15.486 3.694 1.00 0.00 H new ATOM 252 N ASP A2043 -5.603 15.676 0.700 1.00 0.00 N ATOM 253 CA ASP A2043 -6.486 15.856 -0.461 1.00 0.00 C ATOM 254 C ASP A2043 -7.541 14.767 -0.531 1.00 0.00 C ATOM 255 O ASP A2043 -8.734 15.037 -0.499 1.00 0.00 O ATOM 256 CB ASP A2043 -5.685 15.865 -1.773 1.00 0.00 C ATOM 257 CG ASP A2043 -6.572 15.981 -3.005 1.00 0.00 C ATOM 258 OD1 ASP A2043 -7.011 14.942 -3.547 1.00 0.00 O ATOM 259 OD2 ASP A2043 -6.819 17.102 -3.463 1.00 0.00 O ATOM 0 H ASP A2043 -4.732 15.187 0.493 1.00 0.00 H new ATOM 0 HA ASP A2043 -6.979 16.820 -0.334 1.00 0.00 H new ATOM 0 HB2 ASP A2043 -4.981 16.697 -1.758 1.00 0.00 H new ATOM 0 HB3 ASP A2043 -5.096 14.950 -1.840 1.00 0.00 H new ATOM 264 N GLY A2044 -7.094 13.541 -0.594 1.00 0.00 N ATOM 265 CA GLY A2044 -8.000 12.426 -0.752 1.00 0.00 C ATOM 266 C GLY A2044 -7.663 11.598 -1.964 1.00 0.00 C ATOM 267 O GLY A2044 -8.269 10.550 -2.184 1.00 0.00 O ATOM 0 H GLY A2044 -6.108 13.285 -0.539 1.00 0.00 H new ATOM 0 HA2 GLY A2044 -7.963 11.799 0.139 1.00 0.00 H new ATOM 0 HA3 GLY A2044 -9.021 12.797 -0.838 1.00 0.00 H new ATOM 271 N THR A2045 -6.695 12.084 -2.750 1.00 0.00 N ATOM 272 CA THR A2045 -6.225 11.408 -3.960 1.00 0.00 C ATOM 273 C THR A2045 -5.827 9.962 -3.651 1.00 0.00 C ATOM 274 O THR A2045 -4.931 9.728 -2.831 1.00 0.00 O ATOM 275 CB THR A2045 -4.958 12.104 -4.513 1.00 0.00 C ATOM 276 OG1 THR A2045 -5.105 13.529 -4.498 1.00 0.00 O ATOM 277 CG2 THR A2045 -4.677 11.656 -5.941 1.00 0.00 C ATOM 0 H THR A2045 -6.214 12.963 -2.561 1.00 0.00 H new ATOM 0 HA THR A2045 -7.040 11.443 -4.683 1.00 0.00 H new ATOM 0 HB THR A2045 -4.126 11.821 -3.869 1.00 0.00 H new ATOM 0 HG1 THR A2045 -6.052 13.759 -4.398 1.00 0.00 H new ATOM 0 HG21 THR A2045 -3.782 12.157 -6.310 1.00 0.00 H new ATOM 0 HG22 THR A2045 -4.522 10.577 -5.960 1.00 0.00 H new ATOM 0 HG23 THR A2045 -5.525 11.912 -6.576 1.00 0.00 H new ATOM 285 N LEU A2046 -6.484 9.021 -4.271 1.00 0.00 N ATOM 286 CA LEU A2046 -6.139 7.641 -4.120 1.00 0.00 C ATOM 287 C LEU A2046 -5.407 7.207 -5.376 1.00 0.00 C ATOM 288 O LEU A2046 -5.917 7.353 -6.483 1.00 0.00 O ATOM 289 CB LEU A2046 -7.391 6.784 -3.897 1.00 0.00 C ATOM 290 CG LEU A2046 -7.157 5.283 -3.676 1.00 0.00 C ATOM 291 CD1 LEU A2046 -6.393 5.023 -2.389 1.00 0.00 C ATOM 292 CD2 LEU A2046 -8.468 4.534 -3.670 1.00 0.00 C ATOM 0 H LEU A2046 -7.273 9.193 -4.894 1.00 0.00 H new ATOM 0 HA LEU A2046 -5.501 7.508 -3.246 1.00 0.00 H new ATOM 0 HB2 LEU A2046 -7.926 7.178 -3.033 1.00 0.00 H new ATOM 0 HB3 LEU A2046 -8.046 6.905 -4.760 1.00 0.00 H new ATOM 0 HG LEU A2046 -6.550 4.919 -4.505 1.00 0.00 H new ATOM 0 HD11 LEU A2046 -6.245 3.950 -2.264 1.00 0.00 H new ATOM 0 HD12 LEU A2046 -5.424 5.520 -2.434 1.00 0.00 H new ATOM 0 HD13 LEU A2046 -6.961 5.412 -1.544 1.00 0.00 H new ATOM 0 HD21 LEU A2046 -8.280 3.472 -3.512 1.00 0.00 H new ATOM 0 HD22 LEU A2046 -9.100 4.914 -2.867 1.00 0.00 H new ATOM 0 HD23 LEU A2046 -8.972 4.675 -4.626 1.00 0.00 H new ATOM 304 N LEU A2047 -4.223 6.723 -5.206 1.00 0.00 N ATOM 305 CA LEU A2047 -3.393 6.309 -6.311 1.00 0.00 C ATOM 306 C LEU A2047 -3.376 4.816 -6.375 1.00 0.00 C ATOM 307 O LEU A2047 -2.963 4.161 -5.421 1.00 0.00 O ATOM 308 CB LEU A2047 -1.970 6.857 -6.146 1.00 0.00 C ATOM 309 CG LEU A2047 -1.831 8.387 -6.061 1.00 0.00 C ATOM 310 CD1 LEU A2047 -0.377 8.782 -5.876 1.00 0.00 C ATOM 311 CD2 LEU A2047 -2.396 9.061 -7.302 1.00 0.00 C ATOM 0 H LEU A2047 -3.790 6.598 -4.291 1.00 0.00 H new ATOM 0 HA LEU A2047 -3.800 6.706 -7.241 1.00 0.00 H new ATOM 0 HB2 LEU A2047 -1.540 6.424 -5.243 1.00 0.00 H new ATOM 0 HB3 LEU A2047 -1.369 6.506 -6.985 1.00 0.00 H new ATOM 0 HG LEU A2047 -2.403 8.723 -5.196 1.00 0.00 H new ATOM 0 HD11 LEU A2047 -0.299 9.868 -5.818 1.00 0.00 H new ATOM 0 HD12 LEU A2047 0.005 8.341 -4.955 1.00 0.00 H new ATOM 0 HD13 LEU A2047 0.209 8.421 -6.722 1.00 0.00 H new ATOM 0 HD21 LEU A2047 -2.283 10.141 -7.212 1.00 0.00 H new ATOM 0 HD22 LEU A2047 -1.857 8.712 -8.183 1.00 0.00 H new ATOM 0 HD23 LEU A2047 -3.453 8.813 -7.401 1.00 0.00 H new ATOM 323 N VAL A2048 -3.860 4.275 -7.472 1.00 0.00 N ATOM 324 CA VAL A2048 -3.911 2.845 -7.660 1.00 0.00 C ATOM 325 C VAL A2048 -3.301 2.497 -9.006 1.00 0.00 C ATOM 326 O VAL A2048 -3.200 3.363 -9.889 1.00 0.00 O ATOM 327 CB VAL A2048 -5.376 2.283 -7.584 1.00 0.00 C ATOM 328 CG1 VAL A2048 -6.030 2.615 -6.254 1.00 0.00 C ATOM 329 CG2 VAL A2048 -6.240 2.796 -8.730 1.00 0.00 C ATOM 0 H VAL A2048 -4.228 4.814 -8.256 1.00 0.00 H new ATOM 0 HA VAL A2048 -3.345 2.383 -6.851 1.00 0.00 H new ATOM 0 HB VAL A2048 -5.299 1.199 -7.673 1.00 0.00 H new ATOM 0 HG11 VAL A2048 -7.042 2.211 -6.236 1.00 0.00 H new ATOM 0 HG12 VAL A2048 -5.449 2.175 -5.443 1.00 0.00 H new ATOM 0 HG13 VAL A2048 -6.068 3.697 -6.127 1.00 0.00 H new ATOM 0 HG21 VAL A2048 -7.245 2.384 -8.641 1.00 0.00 H new ATOM 0 HG22 VAL A2048 -6.289 3.884 -8.690 1.00 0.00 H new ATOM 0 HG23 VAL A2048 -5.805 2.487 -9.680 1.00 0.00 H new ATOM 339 N GLY A2049 -2.859 1.275 -9.151 1.00 0.00 N ATOM 340 CA GLY A2049 -2.329 0.836 -10.412 1.00 0.00 C ATOM 341 C GLY A2049 -0.973 1.425 -10.702 1.00 0.00 C ATOM 342 O GLY A2049 -0.043 1.259 -9.922 1.00 0.00 O ATOM 0 H GLY A2049 -2.856 0.570 -8.414 1.00 0.00 H new ATOM 0 HA2 GLY A2049 -2.258 -0.252 -10.414 1.00 0.00 H new ATOM 0 HA3 GLY A2049 -3.020 1.112 -11.209 1.00 0.00 H new ATOM 346 N GLU A2050 -0.881 2.171 -11.790 1.00 0.00 N ATOM 347 CA GLU A2050 0.386 2.753 -12.216 1.00 0.00 C ATOM 348 C GLU A2050 0.583 4.109 -11.602 1.00 0.00 C ATOM 349 O GLU A2050 1.660 4.699 -11.680 1.00 0.00 O ATOM 350 CB GLU A2050 0.474 2.835 -13.727 1.00 0.00 C ATOM 351 CG GLU A2050 0.317 1.502 -14.414 1.00 0.00 C ATOM 352 CD GLU A2050 0.465 1.600 -15.898 1.00 0.00 C ATOM 353 OE1 GLU A2050 -0.501 1.996 -16.577 1.00 0.00 O ATOM 354 OE2 GLU A2050 1.546 1.255 -16.429 1.00 0.00 O ATOM 0 H GLU A2050 -1.670 2.390 -12.398 1.00 0.00 H new ATOM 0 HA GLU A2050 1.185 2.098 -11.869 1.00 0.00 H new ATOM 0 HB2 GLU A2050 -0.296 3.515 -14.091 1.00 0.00 H new ATOM 0 HB3 GLU A2050 1.436 3.266 -14.004 1.00 0.00 H new ATOM 0 HG2 GLU A2050 1.060 0.806 -14.024 1.00 0.00 H new ATOM 0 HG3 GLU A2050 -0.663 1.088 -14.177 1.00 0.00 H new ATOM 361 N ASP A2051 -0.453 4.593 -10.989 1.00 0.00 N ATOM 362 CA ASP A2051 -0.396 5.847 -10.284 1.00 0.00 C ATOM 363 C ASP A2051 0.187 5.623 -8.924 1.00 0.00 C ATOM 364 O ASP A2051 0.647 6.554 -8.259 1.00 0.00 O ATOM 365 CB ASP A2051 -1.778 6.431 -10.142 1.00 0.00 C ATOM 366 CG ASP A2051 -2.324 6.991 -11.423 1.00 0.00 C ATOM 367 OD1 ASP A2051 -1.894 8.080 -11.831 1.00 0.00 O ATOM 368 OD2 ASP A2051 -3.228 6.361 -12.027 1.00 0.00 O ATOM 0 H ASP A2051 -1.364 4.134 -10.960 1.00 0.00 H new ATOM 0 HA ASP A2051 0.226 6.542 -10.847 1.00 0.00 H new ATOM 0 HB2 ASP A2051 -2.454 5.659 -9.774 1.00 0.00 H new ATOM 0 HB3 ASP A2051 -1.755 7.220 -9.390 1.00 0.00 H new ATOM 373 N ALA A2052 0.167 4.385 -8.519 1.00 0.00 N ATOM 374 CA ALA A2052 0.669 3.980 -7.258 1.00 0.00 C ATOM 375 C ALA A2052 2.100 3.488 -7.449 1.00 0.00 C ATOM 376 O ALA A2052 2.374 2.722 -8.387 1.00 0.00 O ATOM 377 CB ALA A2052 -0.223 2.900 -6.694 1.00 0.00 C ATOM 0 H ALA A2052 -0.210 3.619 -9.077 1.00 0.00 H new ATOM 0 HA ALA A2052 0.677 4.809 -6.550 1.00 0.00 H new ATOM 0 HB1 ALA A2052 0.158 2.584 -5.723 1.00 0.00 H new ATOM 0 HB2 ALA A2052 -1.235 3.288 -6.578 1.00 0.00 H new ATOM 0 HB3 ALA A2052 -0.237 2.048 -7.373 1.00 0.00 H new ATOM 383 N PRO A2053 3.044 3.955 -6.624 1.00 0.00 N ATOM 384 CA PRO A2053 4.453 3.583 -6.752 1.00 0.00 C ATOM 385 C PRO A2053 4.741 2.114 -6.410 1.00 0.00 C ATOM 386 O PRO A2053 3.951 1.420 -5.732 1.00 0.00 O ATOM 387 CB PRO A2053 5.175 4.504 -5.750 1.00 0.00 C ATOM 388 CG PRO A2053 4.178 5.548 -5.392 1.00 0.00 C ATOM 389 CD PRO A2053 2.839 4.890 -5.509 1.00 0.00 C ATOM 0 HA PRO A2053 4.783 3.695 -7.785 1.00 0.00 H new ATOM 0 HB2 PRO A2053 5.499 3.950 -4.869 1.00 0.00 H new ATOM 0 HB3 PRO A2053 6.067 4.947 -6.194 1.00 0.00 H new ATOM 0 HG2 PRO A2053 4.345 5.918 -4.380 1.00 0.00 H new ATOM 0 HG3 PRO A2053 4.252 6.405 -6.061 1.00 0.00 H new ATOM 0 HD2 PRO A2053 2.559 4.373 -4.591 1.00 0.00 H new ATOM 0 HD3 PRO A2053 2.049 5.610 -5.723 1.00 0.00 H new ATOM 397 N ARG A2054 5.884 1.660 -6.877 1.00 0.00 N ATOM 398 CA ARG A2054 6.388 0.347 -6.622 1.00 0.00 C ATOM 399 C ARG A2054 6.683 0.232 -5.128 1.00 0.00 C ATOM 400 O ARG A2054 7.220 1.148 -4.556 1.00 0.00 O ATOM 401 CB ARG A2054 7.685 0.194 -7.432 1.00 0.00 C ATOM 402 CG ARG A2054 8.462 -1.061 -7.185 1.00 0.00 C ATOM 403 CD ARG A2054 7.723 -2.271 -7.680 1.00 0.00 C ATOM 404 NE ARG A2054 7.560 -2.252 -9.151 1.00 0.00 N ATOM 405 CZ ARG A2054 6.702 -3.011 -9.858 1.00 0.00 C ATOM 406 NH1 ARG A2054 5.855 -3.797 -9.243 1.00 0.00 N ATOM 407 NH2 ARG A2054 6.702 -2.958 -11.183 1.00 0.00 N ATOM 0 H ARG A2054 6.501 2.221 -7.463 1.00 0.00 H new ATOM 0 HA ARG A2054 5.675 -0.427 -6.906 1.00 0.00 H new ATOM 0 HB2 ARG A2054 7.437 0.243 -8.492 1.00 0.00 H new ATOM 0 HB3 ARG A2054 8.329 1.046 -7.216 1.00 0.00 H new ATOM 0 HG2 ARG A2054 9.430 -0.995 -7.683 1.00 0.00 H new ATOM 0 HG3 ARG A2054 8.659 -1.165 -6.118 1.00 0.00 H new ATOM 0 HD2 ARG A2054 8.262 -3.172 -7.386 1.00 0.00 H new ATOM 0 HD3 ARG A2054 6.742 -2.317 -7.206 1.00 0.00 H new ATOM 0 HE ARG A2054 8.150 -1.606 -9.676 1.00 0.00 H new ATOM 0 HH11 ARG A2054 5.843 -3.836 -8.224 1.00 0.00 H new ATOM 0 HH12 ARG A2054 5.207 -4.370 -9.783 1.00 0.00 H new ATOM 0 HH21 ARG A2054 7.353 -2.341 -11.669 1.00 0.00 H new ATOM 0 HH22 ARG A2054 6.051 -3.534 -11.716 1.00 0.00 H new ATOM 421 N ARG A2055 6.340 -0.885 -4.503 1.00 0.00 N ATOM 422 CA ARG A2055 6.595 -1.067 -3.067 1.00 0.00 C ATOM 423 C ARG A2055 8.087 -0.922 -2.737 1.00 0.00 C ATOM 424 O ARG A2055 8.439 -0.425 -1.677 1.00 0.00 O ATOM 425 CB ARG A2055 6.024 -2.400 -2.548 1.00 0.00 C ATOM 426 CG ARG A2055 6.350 -2.715 -1.081 1.00 0.00 C ATOM 427 CD ARG A2055 5.942 -1.600 -0.122 1.00 0.00 C ATOM 428 NE ARG A2055 6.391 -1.865 1.251 1.00 0.00 N ATOM 429 CZ ARG A2055 7.467 -1.291 1.832 1.00 0.00 C ATOM 430 NH1 ARG A2055 8.343 -0.614 1.092 1.00 0.00 N ATOM 431 NH2 ARG A2055 7.704 -1.458 3.133 1.00 0.00 N ATOM 0 H ARG A2055 5.887 -1.678 -4.957 1.00 0.00 H new ATOM 0 HA ARG A2055 6.068 -0.270 -2.543 1.00 0.00 H new ATOM 0 HB2 ARG A2055 4.941 -2.386 -2.670 1.00 0.00 H new ATOM 0 HB3 ARG A2055 6.405 -3.209 -3.171 1.00 0.00 H new ATOM 0 HG2 ARG A2055 5.844 -3.637 -0.793 1.00 0.00 H new ATOM 0 HG3 ARG A2055 7.421 -2.895 -0.984 1.00 0.00 H new ATOM 0 HD2 ARG A2055 6.362 -0.655 -0.465 1.00 0.00 H new ATOM 0 HD3 ARG A2055 4.858 -1.490 -0.134 1.00 0.00 H new ATOM 0 HE ARG A2055 5.852 -2.530 1.806 1.00 0.00 H new ATOM 0 HH11 ARG A2055 8.202 -0.528 0.085 1.00 0.00 H new ATOM 0 HH12 ARG A2055 9.155 -0.181 1.532 1.00 0.00 H new ATOM 0 HH21 ARG A2055 7.070 -2.023 3.698 1.00 0.00 H new ATOM 0 HH22 ARG A2055 8.519 -1.021 3.563 1.00 0.00 H new ATOM 445 N ALA A2056 8.936 -1.319 -3.662 1.00 0.00 N ATOM 446 CA ALA A2056 10.381 -1.187 -3.504 1.00 0.00 C ATOM 447 C ALA A2056 10.812 0.286 -3.386 1.00 0.00 C ATOM 448 O ALA A2056 11.807 0.605 -2.726 1.00 0.00 O ATOM 449 CB ALA A2056 11.097 -1.863 -4.656 1.00 0.00 C ATOM 0 H ALA A2056 8.651 -1.742 -4.545 1.00 0.00 H new ATOM 0 HA ALA A2056 10.660 -1.681 -2.573 1.00 0.00 H new ATOM 0 HB1 ALA A2056 12.174 -1.758 -4.527 1.00 0.00 H new ATOM 0 HB2 ALA A2056 10.836 -2.921 -4.676 1.00 0.00 H new ATOM 0 HB3 ALA A2056 10.797 -1.397 -5.595 1.00 0.00 H new ATOM 455 N GLU A2057 10.060 1.186 -3.995 1.00 0.00 N ATOM 456 CA GLU A2057 10.405 2.619 -3.917 1.00 0.00 C ATOM 457 C GLU A2057 9.473 3.354 -2.928 1.00 0.00 C ATOM 458 O GLU A2057 9.744 4.481 -2.508 1.00 0.00 O ATOM 459 CB GLU A2057 10.288 3.271 -5.307 1.00 0.00 C ATOM 460 CG GLU A2057 8.852 3.418 -5.799 1.00 0.00 C ATOM 461 CD GLU A2057 8.744 3.932 -7.202 1.00 0.00 C ATOM 462 OE1 GLU A2057 9.053 5.094 -7.435 1.00 0.00 O ATOM 463 OE2 GLU A2057 8.327 3.169 -8.091 1.00 0.00 O ATOM 0 H GLU A2057 9.224 0.972 -4.539 1.00 0.00 H new ATOM 0 HA GLU A2057 11.432 2.700 -3.562 1.00 0.00 H new ATOM 0 HB2 GLU A2057 10.754 4.256 -5.277 1.00 0.00 H new ATOM 0 HB3 GLU A2057 10.849 2.675 -6.026 1.00 0.00 H new ATOM 0 HG2 GLU A2057 8.356 2.450 -5.737 1.00 0.00 H new ATOM 0 HG3 GLU A2057 8.316 4.094 -5.132 1.00 0.00 H new ATOM 470 N LEU A2058 8.418 2.674 -2.539 1.00 0.00 N ATOM 471 CA LEU A2058 7.300 3.272 -1.821 1.00 0.00 C ATOM 472 C LEU A2058 7.641 3.809 -0.442 1.00 0.00 C ATOM 473 O LEU A2058 7.181 4.874 -0.078 1.00 0.00 O ATOM 474 CB LEU A2058 6.170 2.277 -1.655 1.00 0.00 C ATOM 475 CG LEU A2058 4.895 2.872 -1.100 1.00 0.00 C ATOM 476 CD1 LEU A2058 4.075 3.521 -2.184 1.00 0.00 C ATOM 477 CD2 LEU A2058 4.114 1.870 -0.300 1.00 0.00 C ATOM 0 H LEU A2058 8.305 1.675 -2.712 1.00 0.00 H new ATOM 0 HA LEU A2058 7.009 4.118 -2.443 1.00 0.00 H new ATOM 0 HB2 LEU A2058 5.955 1.824 -2.623 1.00 0.00 H new ATOM 0 HB3 LEU A2058 6.501 1.476 -0.995 1.00 0.00 H new ATOM 0 HG LEU A2058 5.173 3.663 -0.404 1.00 0.00 H new ATOM 0 HD11 LEU A2058 3.166 3.939 -1.752 1.00 0.00 H new ATOM 0 HD12 LEU A2058 4.654 4.318 -2.651 1.00 0.00 H new ATOM 0 HD13 LEU A2058 3.811 2.777 -2.935 1.00 0.00 H new ATOM 0 HD21 LEU A2058 3.206 2.337 0.081 1.00 0.00 H new ATOM 0 HD22 LEU A2058 3.849 1.025 -0.935 1.00 0.00 H new ATOM 0 HD23 LEU A2058 4.720 1.520 0.536 1.00 0.00 H new ATOM 489 N GLU A2059 8.429 3.083 0.313 1.00 0.00 N ATOM 490 CA GLU A2059 8.665 3.421 1.713 1.00 0.00 C ATOM 491 C GLU A2059 9.373 4.756 1.841 1.00 0.00 C ATOM 492 O GLU A2059 8.920 5.650 2.557 1.00 0.00 O ATOM 493 CB GLU A2059 9.453 2.319 2.375 1.00 0.00 C ATOM 494 CG GLU A2059 9.566 2.434 3.861 1.00 0.00 C ATOM 495 CD GLU A2059 10.216 1.225 4.453 1.00 0.00 C ATOM 496 OE1 GLU A2059 9.809 0.080 4.104 1.00 0.00 O ATOM 497 OE2 GLU A2059 11.139 1.365 5.269 1.00 0.00 O ATOM 0 H GLU A2059 8.923 2.251 -0.011 1.00 0.00 H new ATOM 0 HA GLU A2059 7.704 3.516 2.219 1.00 0.00 H new ATOM 0 HB2 GLU A2059 8.988 1.363 2.133 1.00 0.00 H new ATOM 0 HB3 GLU A2059 10.456 2.302 1.949 1.00 0.00 H new ATOM 0 HG2 GLU A2059 10.145 3.322 4.116 1.00 0.00 H new ATOM 0 HG3 GLU A2059 8.574 2.565 4.294 1.00 0.00 H new ATOM 504 N MET A2060 10.452 4.889 1.124 1.00 0.00 N ATOM 505 CA MET A2060 11.221 6.127 1.079 1.00 0.00 C ATOM 506 C MET A2060 10.387 7.243 0.444 1.00 0.00 C ATOM 507 O MET A2060 10.568 8.425 0.747 1.00 0.00 O ATOM 508 CB MET A2060 12.553 5.948 0.321 1.00 0.00 C ATOM 509 CG MET A2060 13.527 4.932 0.937 1.00 0.00 C ATOM 510 SD MET A2060 12.948 3.212 0.821 1.00 0.00 S ATOM 511 CE MET A2060 14.264 2.349 1.682 1.00 0.00 C ATOM 0 H MET A2060 10.837 4.143 0.545 1.00 0.00 H new ATOM 0 HA MET A2060 11.466 6.404 2.104 1.00 0.00 H new ATOM 0 HB2 MET A2060 12.332 5.641 -0.701 1.00 0.00 H new ATOM 0 HB3 MET A2060 13.052 6.915 0.263 1.00 0.00 H new ATOM 0 HG2 MET A2060 14.492 5.017 0.438 1.00 0.00 H new ATOM 0 HG3 MET A2060 13.687 5.183 1.985 1.00 0.00 H new ATOM 0 HE1 MET A2060 14.051 1.280 1.694 1.00 0.00 H new ATOM 0 HE2 MET A2060 15.210 2.525 1.170 1.00 0.00 H new ATOM 0 HE3 MET A2060 14.331 2.717 2.706 1.00 0.00 H new ATOM 521 N TRP A2061 9.468 6.858 -0.423 1.00 0.00 N ATOM 522 CA TRP A2061 8.573 7.796 -1.056 1.00 0.00 C ATOM 523 C TRP A2061 7.567 8.342 -0.026 1.00 0.00 C ATOM 524 O TRP A2061 7.383 9.548 0.072 1.00 0.00 O ATOM 525 CB TRP A2061 7.856 7.142 -2.247 1.00 0.00 C ATOM 526 CG TRP A2061 7.001 8.084 -3.029 1.00 0.00 C ATOM 527 CD1 TRP A2061 7.422 8.984 -3.956 1.00 0.00 C ATOM 528 CD2 TRP A2061 5.580 8.215 -2.956 1.00 0.00 C ATOM 529 NE1 TRP A2061 6.353 9.671 -4.459 1.00 0.00 N ATOM 530 CE2 TRP A2061 5.211 9.221 -3.868 1.00 0.00 C ATOM 531 CE3 TRP A2061 4.586 7.582 -2.211 1.00 0.00 C ATOM 532 CZ2 TRP A2061 3.891 9.609 -4.053 1.00 0.00 C ATOM 533 CZ3 TRP A2061 3.276 7.969 -2.398 1.00 0.00 C ATOM 534 CH2 TRP A2061 2.940 8.973 -3.311 1.00 0.00 C ATOM 0 H TRP A2061 9.325 5.888 -0.704 1.00 0.00 H new ATOM 0 HA TRP A2061 9.153 8.634 -1.442 1.00 0.00 H new ATOM 0 HB2 TRP A2061 8.601 6.705 -2.912 1.00 0.00 H new ATOM 0 HB3 TRP A2061 7.237 6.323 -1.881 1.00 0.00 H new ATOM 0 HD1 TRP A2061 8.450 9.134 -4.252 1.00 0.00 H new ATOM 0 HE1 TRP A2061 6.402 10.405 -5.166 1.00 0.00 H new ATOM 0 HE3 TRP A2061 4.837 6.806 -1.503 1.00 0.00 H new ATOM 0 HZ2 TRP A2061 3.628 10.384 -4.757 1.00 0.00 H new ATOM 0 HZ3 TRP A2061 2.495 7.488 -1.829 1.00 0.00 H new ATOM 0 HH2 TRP A2061 1.903 9.251 -3.431 1.00 0.00 H new ATOM 545 N LEU A2062 6.940 7.446 0.747 1.00 0.00 N ATOM 546 CA LEU A2062 6.000 7.838 1.809 1.00 0.00 C ATOM 547 C LEU A2062 6.704 8.626 2.904 1.00 0.00 C ATOM 548 O LEU A2062 6.140 9.547 3.486 1.00 0.00 O ATOM 549 CB LEU A2062 5.328 6.607 2.431 1.00 0.00 C ATOM 550 CG LEU A2062 4.388 5.805 1.538 1.00 0.00 C ATOM 551 CD1 LEU A2062 3.867 4.589 2.286 1.00 0.00 C ATOM 552 CD2 LEU A2062 3.227 6.668 1.078 1.00 0.00 C ATOM 0 H LEU A2062 7.067 6.438 0.657 1.00 0.00 H new ATOM 0 HA LEU A2062 5.240 8.469 1.347 1.00 0.00 H new ATOM 0 HB2 LEU A2062 6.111 5.937 2.786 1.00 0.00 H new ATOM 0 HB3 LEU A2062 4.767 6.934 3.306 1.00 0.00 H new ATOM 0 HG LEU A2062 4.944 5.472 0.661 1.00 0.00 H new ATOM 0 HD11 LEU A2062 3.197 4.023 1.639 1.00 0.00 H new ATOM 0 HD12 LEU A2062 4.705 3.957 2.582 1.00 0.00 H new ATOM 0 HD13 LEU A2062 3.326 4.913 3.175 1.00 0.00 H new ATOM 0 HD21 LEU A2062 2.566 6.080 0.442 1.00 0.00 H new ATOM 0 HD22 LEU A2062 2.672 7.024 1.946 1.00 0.00 H new ATOM 0 HD23 LEU A2062 3.608 7.521 0.516 1.00 0.00 H new ATOM 564 N GLN A2063 7.931 8.252 3.174 1.00 0.00 N ATOM 565 CA GLN A2063 8.758 8.878 4.179 1.00 0.00 C ATOM 566 C GLN A2063 9.051 10.339 3.808 1.00 0.00 C ATOM 567 O GLN A2063 9.167 11.208 4.677 1.00 0.00 O ATOM 568 CB GLN A2063 10.046 8.089 4.264 1.00 0.00 C ATOM 569 CG GLN A2063 10.980 8.487 5.370 1.00 0.00 C ATOM 570 CD GLN A2063 12.225 7.633 5.360 1.00 0.00 C ATOM 571 OE1 GLN A2063 12.670 7.175 4.309 1.00 0.00 O ATOM 572 NE2 GLN A2063 12.769 7.379 6.505 1.00 0.00 N ATOM 0 H GLN A2063 8.395 7.484 2.689 1.00 0.00 H new ATOM 0 HA GLN A2063 8.245 8.882 5.141 1.00 0.00 H new ATOM 0 HB2 GLN A2063 9.798 7.035 4.385 1.00 0.00 H new ATOM 0 HB3 GLN A2063 10.573 8.186 3.315 1.00 0.00 H new ATOM 0 HG2 GLN A2063 11.254 9.536 5.260 1.00 0.00 H new ATOM 0 HG3 GLN A2063 10.475 8.388 6.331 1.00 0.00 H new ATOM 0 HE21 GLN A2063 12.373 7.776 7.357 1.00 0.00 H new ATOM 0 HE22 GLN A2063 13.594 6.782 6.556 1.00 0.00 H new ATOM 581 N GLY A2064 9.134 10.598 2.520 1.00 0.00 N ATOM 582 CA GLY A2064 9.423 11.928 2.044 1.00 0.00 C ATOM 583 C GLY A2064 8.174 12.687 1.651 1.00 0.00 C ATOM 584 O GLY A2064 8.259 13.808 1.159 1.00 0.00 O ATOM 0 H GLY A2064 9.005 9.902 1.786 1.00 0.00 H new ATOM 0 HA2 GLY A2064 9.951 12.481 2.820 1.00 0.00 H new ATOM 0 HA3 GLY A2064 10.092 11.866 1.186 1.00 0.00 H new ATOM 588 N HIS A2065 7.018 12.078 1.866 1.00 0.00 N ATOM 589 CA HIS A2065 5.726 12.689 1.550 1.00 0.00 C ATOM 590 C HIS A2065 4.710 12.266 2.594 1.00 0.00 C ATOM 591 O HIS A2065 3.974 11.300 2.391 1.00 0.00 O ATOM 592 CB HIS A2065 5.196 12.277 0.157 1.00 0.00 C ATOM 593 CG HIS A2065 6.035 12.707 -1.003 1.00 0.00 C ATOM 594 ND1 HIS A2065 6.886 11.868 -1.679 1.00 0.00 N ATOM 595 CD2 HIS A2065 6.118 13.904 -1.625 1.00 0.00 C ATOM 596 CE1 HIS A2065 7.443 12.556 -2.668 1.00 0.00 C ATOM 597 NE2 HIS A2065 7.010 13.805 -2.682 1.00 0.00 N ATOM 0 H HIS A2065 6.944 11.143 2.266 1.00 0.00 H new ATOM 0 HA HIS A2065 5.872 13.769 1.546 1.00 0.00 H new ATOM 0 HB2 HIS A2065 5.099 11.192 0.131 1.00 0.00 H new ATOM 0 HB3 HIS A2065 4.195 12.689 0.032 1.00 0.00 H new ATOM 0 HD1 HIS A2065 7.060 10.887 -1.459 1.00 0.00 H new ATOM 0 HD2 HIS A2065 5.576 14.795 -1.344 1.00 0.00 H new ATOM 0 HE1 HIS A2065 8.156 12.149 -3.369 1.00 0.00 H new ATOM 605 N PRO A2066 4.658 12.961 3.736 1.00 0.00 N ATOM 606 CA PRO A2066 3.766 12.597 4.851 1.00 0.00 C ATOM 607 C PRO A2066 2.286 12.830 4.531 1.00 0.00 C ATOM 608 O PRO A2066 1.402 12.420 5.291 1.00 0.00 O ATOM 609 CB PRO A2066 4.227 13.497 5.997 1.00 0.00 C ATOM 610 CG PRO A2066 4.891 14.658 5.338 1.00 0.00 C ATOM 611 CD PRO A2066 5.463 14.158 4.043 1.00 0.00 C ATOM 0 HA PRO A2066 3.830 11.534 5.083 1.00 0.00 H new ATOM 0 HB2 PRO A2066 3.384 13.820 6.608 1.00 0.00 H new ATOM 0 HB3 PRO A2066 4.917 12.972 6.658 1.00 0.00 H new ATOM 0 HG2 PRO A2066 4.176 15.461 5.159 1.00 0.00 H new ATOM 0 HG3 PRO A2066 5.676 15.066 5.975 1.00 0.00 H new ATOM 0 HD2 PRO A2066 5.381 14.907 3.255 1.00 0.00 H new ATOM 0 HD3 PRO A2066 6.521 13.913 4.142 1.00 0.00 H new ATOM 619 N GLU A2067 2.031 13.493 3.416 1.00 0.00 N ATOM 620 CA GLU A2067 0.676 13.743 2.944 1.00 0.00 C ATOM 621 C GLU A2067 0.069 12.444 2.460 1.00 0.00 C ATOM 622 O GLU A2067 -1.133 12.242 2.525 1.00 0.00 O ATOM 623 CB GLU A2067 0.646 14.750 1.772 1.00 0.00 C ATOM 624 CG GLU A2067 1.200 16.145 2.053 1.00 0.00 C ATOM 625 CD GLU A2067 2.686 16.168 2.293 1.00 0.00 C ATOM 626 OE1 GLU A2067 3.443 15.688 1.424 1.00 0.00 O ATOM 627 OE2 GLU A2067 3.120 16.683 3.328 1.00 0.00 O ATOM 0 H GLU A2067 2.757 13.875 2.810 1.00 0.00 H new ATOM 0 HA GLU A2067 0.112 14.161 3.778 1.00 0.00 H new ATOM 0 HB2 GLU A2067 1.207 14.322 0.941 1.00 0.00 H new ATOM 0 HB3 GLU A2067 -0.387 14.854 1.439 1.00 0.00 H new ATOM 0 HG2 GLU A2067 0.967 16.796 1.210 1.00 0.00 H new ATOM 0 HG3 GLU A2067 0.693 16.559 2.925 1.00 0.00 H new ATOM 634 N PHE A2068 0.918 11.575 1.977 1.00 0.00 N ATOM 635 CA PHE A2068 0.504 10.306 1.444 1.00 0.00 C ATOM 636 C PHE A2068 0.777 9.202 2.429 1.00 0.00 C ATOM 637 O PHE A2068 1.803 9.196 3.107 1.00 0.00 O ATOM 638 CB PHE A2068 1.218 10.000 0.120 1.00 0.00 C ATOM 639 CG PHE A2068 0.819 10.879 -1.033 1.00 0.00 C ATOM 640 CD1 PHE A2068 1.414 12.115 -1.229 1.00 0.00 C ATOM 641 CD2 PHE A2068 -0.147 10.453 -1.930 1.00 0.00 C ATOM 642 CE1 PHE A2068 1.052 12.912 -2.299 1.00 0.00 C ATOM 643 CE2 PHE A2068 -0.514 11.245 -3.000 1.00 0.00 C ATOM 644 CZ PHE A2068 0.086 12.476 -3.185 1.00 0.00 C ATOM 0 H PHE A2068 1.925 11.731 1.943 1.00 0.00 H new ATOM 0 HA PHE A2068 -0.568 10.364 1.257 1.00 0.00 H new ATOM 0 HB2 PHE A2068 2.293 10.093 0.274 1.00 0.00 H new ATOM 0 HB3 PHE A2068 1.023 8.962 -0.149 1.00 0.00 H new ATOM 0 HD1 PHE A2068 2.169 12.460 -0.538 1.00 0.00 H new ATOM 0 HD2 PHE A2068 -0.618 9.491 -1.791 1.00 0.00 H new ATOM 0 HE1 PHE A2068 1.523 13.873 -2.442 1.00 0.00 H new ATOM 0 HE2 PHE A2068 -1.269 10.903 -3.692 1.00 0.00 H new ATOM 0 HZ PHE A2068 -0.200 13.097 -4.021 1.00 0.00 H new ATOM 654 N ALA A2069 -0.137 8.289 2.516 1.00 0.00 N ATOM 655 CA ALA A2069 0.006 7.133 3.349 1.00 0.00 C ATOM 656 C ALA A2069 -0.524 5.946 2.591 1.00 0.00 C ATOM 657 O ALA A2069 -1.210 6.121 1.571 1.00 0.00 O ATOM 658 CB ALA A2069 -0.752 7.313 4.651 1.00 0.00 C ATOM 0 H ALA A2069 -1.018 8.324 2.003 1.00 0.00 H new ATOM 0 HA ALA A2069 1.056 6.982 3.600 1.00 0.00 H new ATOM 0 HB1 ALA A2069 -0.630 6.423 5.269 1.00 0.00 H new ATOM 0 HB2 ALA A2069 -0.361 8.181 5.183 1.00 0.00 H new ATOM 0 HB3 ALA A2069 -1.810 7.465 4.438 1.00 0.00 H new ATOM 664 N VAL A2070 -0.204 4.765 3.053 1.00 0.00 N ATOM 665 CA VAL A2070 -0.673 3.537 2.433 1.00 0.00 C ATOM 666 C VAL A2070 -2.213 3.436 2.539 1.00 0.00 C ATOM 667 O VAL A2070 -2.806 3.844 3.554 1.00 0.00 O ATOM 668 CB VAL A2070 0.021 2.286 3.076 1.00 0.00 C ATOM 669 CG1 VAL A2070 -0.214 2.234 4.571 1.00 0.00 C ATOM 670 CG2 VAL A2070 -0.433 0.990 2.421 1.00 0.00 C ATOM 0 H VAL A2070 0.389 4.619 3.870 1.00 0.00 H new ATOM 0 HA VAL A2070 -0.404 3.558 1.377 1.00 0.00 H new ATOM 0 HB VAL A2070 1.092 2.392 2.901 1.00 0.00 H new ATOM 0 HG11 VAL A2070 0.280 1.356 4.987 1.00 0.00 H new ATOM 0 HG12 VAL A2070 0.193 3.133 5.035 1.00 0.00 H new ATOM 0 HG13 VAL A2070 -1.284 2.176 4.769 1.00 0.00 H new ATOM 0 HG21 VAL A2070 0.070 0.147 2.895 1.00 0.00 H new ATOM 0 HG22 VAL A2070 -1.511 0.881 2.538 1.00 0.00 H new ATOM 0 HG23 VAL A2070 -0.184 1.012 1.360 1.00 0.00 H new ATOM 680 N ASP A2071 -2.839 2.952 1.475 1.00 0.00 N ATOM 681 CA ASP A2071 -4.292 2.782 1.412 1.00 0.00 C ATOM 682 C ASP A2071 -4.813 1.900 2.552 1.00 0.00 C ATOM 683 O ASP A2071 -4.448 0.720 2.665 1.00 0.00 O ATOM 684 CB ASP A2071 -4.710 2.209 0.049 1.00 0.00 C ATOM 685 CG ASP A2071 -6.163 1.801 -0.016 1.00 0.00 C ATOM 686 OD1 ASP A2071 -7.033 2.567 0.420 1.00 0.00 O ATOM 687 OD2 ASP A2071 -6.453 0.691 -0.522 1.00 0.00 O ATOM 0 H ASP A2071 -2.355 2.664 0.625 1.00 0.00 H new ATOM 0 HA ASP A2071 -4.742 3.768 1.531 1.00 0.00 H new ATOM 0 HB2 ASP A2071 -4.515 2.953 -0.724 1.00 0.00 H new ATOM 0 HB3 ASP A2071 -4.088 1.343 -0.178 1.00 0.00 H new ATOM 692 N PRO A2072 -5.680 2.464 3.418 1.00 0.00 N ATOM 693 CA PRO A2072 -6.240 1.747 4.567 1.00 0.00 C ATOM 694 C PRO A2072 -7.194 0.645 4.142 1.00 0.00 C ATOM 695 O PRO A2072 -7.464 -0.284 4.897 1.00 0.00 O ATOM 696 CB PRO A2072 -6.991 2.823 5.339 1.00 0.00 C ATOM 697 CG PRO A2072 -7.296 3.880 4.334 1.00 0.00 C ATOM 698 CD PRO A2072 -6.180 3.853 3.340 1.00 0.00 C ATOM 0 HA PRO A2072 -5.464 1.253 5.152 1.00 0.00 H new ATOM 0 HB2 PRO A2072 -7.904 2.425 5.783 1.00 0.00 H new ATOM 0 HB3 PRO A2072 -6.386 3.218 6.155 1.00 0.00 H new ATOM 0 HG2 PRO A2072 -8.253 3.689 3.848 1.00 0.00 H new ATOM 0 HG3 PRO A2072 -7.369 4.858 4.809 1.00 0.00 H new ATOM 0 HD2 PRO A2072 -6.530 4.098 2.337 1.00 0.00 H new ATOM 0 HD3 PRO A2072 -5.402 4.574 3.591 1.00 0.00 H new ATOM 706 N ARG A2073 -7.694 0.756 2.936 1.00 0.00 N ATOM 707 CA ARG A2073 -8.565 -0.243 2.362 1.00 0.00 C ATOM 708 C ARG A2073 -7.732 -1.493 2.064 1.00 0.00 C ATOM 709 O ARG A2073 -8.154 -2.616 2.333 1.00 0.00 O ATOM 710 CB ARG A2073 -9.172 0.331 1.096 1.00 0.00 C ATOM 711 CG ARG A2073 -9.960 -0.627 0.235 1.00 0.00 C ATOM 712 CD ARG A2073 -10.168 -0.007 -1.129 1.00 0.00 C ATOM 713 NE ARG A2073 -8.864 0.343 -1.725 1.00 0.00 N ATOM 714 CZ ARG A2073 -8.625 0.635 -2.990 1.00 0.00 C ATOM 715 NH1 ARG A2073 -9.622 0.806 -3.850 1.00 0.00 N ATOM 716 NH2 ARG A2073 -7.371 0.826 -3.364 1.00 0.00 N ATOM 0 H ARG A2073 -7.507 1.547 2.320 1.00 0.00 H new ATOM 0 HA ARG A2073 -9.370 -0.517 3.043 1.00 0.00 H new ATOM 0 HB2 ARG A2073 -9.826 1.157 1.375 1.00 0.00 H new ATOM 0 HB3 ARG A2073 -8.368 0.751 0.492 1.00 0.00 H new ATOM 0 HG2 ARG A2073 -9.428 -1.574 0.141 1.00 0.00 H new ATOM 0 HG3 ARG A2073 -10.921 -0.847 0.699 1.00 0.00 H new ATOM 0 HD2 ARG A2073 -10.699 -0.704 -1.778 1.00 0.00 H new ATOM 0 HD3 ARG A2073 -10.789 0.884 -1.042 1.00 0.00 H new ATOM 0 HE ARG A2073 -8.063 0.361 -1.093 1.00 0.00 H new ATOM 0 HH11 ARG A2073 -10.588 0.712 -3.536 1.00 0.00 H new ATOM 0 HH12 ARG A2073 -9.422 1.031 -4.824 1.00 0.00 H new ATOM 0 HH21 ARG A2073 -6.617 0.746 -2.681 1.00 0.00 H new ATOM 0 HH22 ARG A2073 -7.157 1.053 -4.335 1.00 0.00 H new ATOM 730 N PHE A2074 -6.536 -1.269 1.528 1.00 0.00 N ATOM 731 CA PHE A2074 -5.573 -2.326 1.270 1.00 0.00 C ATOM 732 C PHE A2074 -5.099 -2.941 2.588 1.00 0.00 C ATOM 733 O PHE A2074 -5.014 -4.162 2.709 1.00 0.00 O ATOM 734 CB PHE A2074 -4.382 -1.781 0.454 1.00 0.00 C ATOM 735 CG PHE A2074 -3.293 -2.785 0.179 1.00 0.00 C ATOM 736 CD1 PHE A2074 -3.465 -3.775 -0.774 1.00 0.00 C ATOM 737 CD2 PHE A2074 -2.092 -2.732 0.875 1.00 0.00 C ATOM 738 CE1 PHE A2074 -2.465 -4.693 -1.027 1.00 0.00 C ATOM 739 CE2 PHE A2074 -1.091 -3.647 0.627 1.00 0.00 C ATOM 740 CZ PHE A2074 -1.278 -4.631 -0.326 1.00 0.00 C ATOM 0 H PHE A2074 -6.209 -0.341 1.260 1.00 0.00 H new ATOM 0 HA PHE A2074 -6.055 -3.107 0.682 1.00 0.00 H new ATOM 0 HB2 PHE A2074 -4.755 -1.401 -0.497 1.00 0.00 H new ATOM 0 HB3 PHE A2074 -3.950 -0.935 0.988 1.00 0.00 H new ATOM 0 HD1 PHE A2074 -4.392 -3.830 -1.326 1.00 0.00 H new ATOM 0 HD2 PHE A2074 -1.941 -1.965 1.620 1.00 0.00 H new ATOM 0 HE1 PHE A2074 -2.612 -5.460 -1.774 1.00 0.00 H new ATOM 0 HE2 PHE A2074 -0.162 -3.595 1.176 1.00 0.00 H new ATOM 0 HZ PHE A2074 -0.496 -5.350 -0.522 1.00 0.00 H new ATOM 750 N LEU A2075 -4.818 -2.089 3.575 1.00 0.00 N ATOM 751 CA LEU A2075 -4.412 -2.557 4.907 1.00 0.00 C ATOM 752 C LEU A2075 -5.482 -3.442 5.513 1.00 0.00 C ATOM 753 O LEU A2075 -5.189 -4.510 6.051 1.00 0.00 O ATOM 754 CB LEU A2075 -4.138 -1.390 5.857 1.00 0.00 C ATOM 755 CG LEU A2075 -2.969 -0.473 5.512 1.00 0.00 C ATOM 756 CD1 LEU A2075 -2.850 0.615 6.564 1.00 0.00 C ATOM 757 CD2 LEU A2075 -1.668 -1.266 5.414 1.00 0.00 C ATOM 0 H LEU A2075 -4.863 -1.074 3.481 1.00 0.00 H new ATOM 0 HA LEU A2075 -3.492 -3.127 4.776 1.00 0.00 H new ATOM 0 HB2 LEU A2075 -5.040 -0.781 5.914 1.00 0.00 H new ATOM 0 HB3 LEU A2075 -3.965 -1.798 6.853 1.00 0.00 H new ATOM 0 HG LEU A2075 -3.155 -0.014 4.541 1.00 0.00 H new ATOM 0 HD11 LEU A2075 -2.014 1.270 6.317 1.00 0.00 H new ATOM 0 HD12 LEU A2075 -3.771 1.197 6.592 1.00 0.00 H new ATOM 0 HD13 LEU A2075 -2.679 0.160 7.540 1.00 0.00 H new ATOM 0 HD21 LEU A2075 -0.848 -0.591 5.167 1.00 0.00 H new ATOM 0 HD22 LEU A2075 -1.464 -1.750 6.369 1.00 0.00 H new ATOM 0 HD23 LEU A2075 -1.761 -2.023 4.636 1.00 0.00 H new ATOM 769 N ALA A2076 -6.723 -2.998 5.416 1.00 0.00 N ATOM 770 CA ALA A2076 -7.845 -3.757 5.915 1.00 0.00 C ATOM 771 C ALA A2076 -7.981 -5.057 5.150 1.00 0.00 C ATOM 772 O ALA A2076 -8.235 -6.092 5.737 1.00 0.00 O ATOM 773 CB ALA A2076 -9.118 -2.952 5.819 1.00 0.00 C ATOM 0 H ALA A2076 -6.975 -2.106 4.991 1.00 0.00 H new ATOM 0 HA ALA A2076 -7.666 -3.988 6.965 1.00 0.00 H new ATOM 0 HB1 ALA A2076 -9.951 -3.542 6.200 1.00 0.00 H new ATOM 0 HB2 ALA A2076 -9.018 -2.041 6.410 1.00 0.00 H new ATOM 0 HB3 ALA A2076 -9.305 -2.690 4.778 1.00 0.00 H new ATOM 779 N TYR A2077 -7.773 -4.997 3.842 1.00 0.00 N ATOM 780 CA TYR A2077 -7.836 -6.172 2.996 1.00 0.00 C ATOM 781 C TYR A2077 -6.780 -7.206 3.395 1.00 0.00 C ATOM 782 O TYR A2077 -7.043 -8.406 3.340 1.00 0.00 O ATOM 783 CB TYR A2077 -7.691 -5.801 1.511 1.00 0.00 C ATOM 784 CG TYR A2077 -7.663 -7.010 0.617 1.00 0.00 C ATOM 785 CD1 TYR A2077 -8.795 -7.777 0.439 1.00 0.00 C ATOM 786 CD2 TYR A2077 -6.495 -7.403 -0.019 1.00 0.00 C ATOM 787 CE1 TYR A2077 -8.772 -8.905 -0.337 1.00 0.00 C ATOM 788 CE2 TYR A2077 -6.464 -8.531 -0.807 1.00 0.00 C ATOM 789 CZ TYR A2077 -7.609 -9.279 -0.960 1.00 0.00 C ATOM 790 OH TYR A2077 -7.588 -10.417 -1.725 1.00 0.00 O ATOM 0 H TYR A2077 -7.557 -4.134 3.343 1.00 0.00 H new ATOM 0 HA TYR A2077 -8.819 -6.620 3.140 1.00 0.00 H new ATOM 0 HB2 TYR A2077 -8.519 -5.155 1.218 1.00 0.00 H new ATOM 0 HB3 TYR A2077 -6.775 -5.228 1.371 1.00 0.00 H new ATOM 0 HD1 TYR A2077 -9.716 -7.483 0.920 1.00 0.00 H new ATOM 0 HD2 TYR A2077 -5.597 -6.816 0.106 1.00 0.00 H new ATOM 0 HE1 TYR A2077 -9.667 -9.498 -0.458 1.00 0.00 H new ATOM 0 HE2 TYR A2077 -5.550 -8.826 -1.301 1.00 0.00 H new ATOM 0 HH TYR A2077 -6.691 -10.543 -2.099 1.00 0.00 H new ATOM 800 N MET A2078 -5.602 -6.748 3.788 1.00 0.00 N ATOM 801 CA MET A2078 -4.542 -7.656 4.222 1.00 0.00 C ATOM 802 C MET A2078 -4.975 -8.416 5.466 1.00 0.00 C ATOM 803 O MET A2078 -4.830 -9.635 5.543 1.00 0.00 O ATOM 804 CB MET A2078 -3.223 -6.917 4.507 1.00 0.00 C ATOM 805 CG MET A2078 -2.591 -6.234 3.302 1.00 0.00 C ATOM 806 SD MET A2078 -0.984 -5.482 3.682 1.00 0.00 S ATOM 807 CE MET A2078 -0.010 -6.934 4.103 1.00 0.00 C ATOM 0 H MET A2078 -5.353 -5.759 3.817 1.00 0.00 H new ATOM 0 HA MET A2078 -4.365 -8.354 3.403 1.00 0.00 H new ATOM 0 HB2 MET A2078 -3.404 -6.167 5.277 1.00 0.00 H new ATOM 0 HB3 MET A2078 -2.507 -7.629 4.918 1.00 0.00 H new ATOM 0 HG2 MET A2078 -2.466 -6.963 2.501 1.00 0.00 H new ATOM 0 HG3 MET A2078 -3.268 -5.465 2.930 1.00 0.00 H new ATOM 0 HE1 MET A2078 1.050 -6.705 3.996 1.00 0.00 H new ATOM 0 HE2 MET A2078 -0.216 -7.224 5.133 1.00 0.00 H new ATOM 0 HE3 MET A2078 -0.273 -7.755 3.435 1.00 0.00 H new