USER MOD reduce.3.24.130724 H: found=0, std=0, add=378, rem=0, adj=4 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= -0.0329 USER MOD Single : A2040 ASN : amide:sc= 1.95 K(o=1.9,f=-8.9!) USER MOD Single : A2041 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2045 THR OG1 : rot -34:sc= 0.877 USER MOD Single : A2060 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A2063 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A2065 HIS : no HE2:sc= -1.64 K(o=-1.6,f=-2.4!) USER MOD Single : A2077 TYR OH : rot 180:sc= 0 USER MOD Single : A2078 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 60 N LEU A2032 8.464 -5.712 -2.178 1.00 0.00 N ATOM 61 CA LEU A2032 8.623 -4.789 -3.301 1.00 0.00 C ATOM 62 C LEU A2032 7.822 -5.108 -4.580 1.00 0.00 C ATOM 63 O LEU A2032 7.584 -4.206 -5.375 1.00 0.00 O ATOM 64 CB LEU A2032 10.130 -4.566 -3.605 1.00 0.00 C ATOM 65 CG LEU A2032 11.022 -5.804 -3.757 1.00 0.00 C ATOM 66 CD1 LEU A2032 10.792 -6.496 -5.074 1.00 0.00 C ATOM 67 CD2 LEU A2032 12.472 -5.421 -3.595 1.00 0.00 C ATOM 0 HA LEU A2032 8.166 -3.861 -2.958 1.00 0.00 H new ATOM 0 HB2 LEU A2032 10.203 -3.986 -4.525 1.00 0.00 H new ATOM 0 HB3 LEU A2032 10.545 -3.951 -2.806 1.00 0.00 H new ATOM 0 HG LEU A2032 10.755 -6.511 -2.971 1.00 0.00 H new ATOM 0 HD11 LEU A2032 11.442 -7.368 -5.145 1.00 0.00 H new ATOM 0 HD12 LEU A2032 9.751 -6.812 -5.142 1.00 0.00 H new ATOM 0 HD13 LEU A2032 11.016 -5.809 -5.890 1.00 0.00 H new ATOM 0 HD21 LEU A2032 13.097 -6.307 -3.705 1.00 0.00 H new ATOM 0 HD22 LEU A2032 12.742 -4.690 -4.357 1.00 0.00 H new ATOM 0 HD23 LEU A2032 12.626 -4.989 -2.606 1.00 0.00 H new ATOM 79 N GLU A2033 7.380 -6.342 -4.762 1.00 0.00 N ATOM 80 CA GLU A2033 6.741 -6.759 -6.033 1.00 0.00 C ATOM 81 C GLU A2033 5.296 -6.264 -6.307 1.00 0.00 C ATOM 82 O GLU A2033 4.673 -6.707 -7.269 1.00 0.00 O ATOM 83 CB GLU A2033 6.860 -8.271 -6.253 1.00 0.00 C ATOM 84 CG GLU A2033 8.262 -8.717 -6.655 1.00 0.00 C ATOM 85 CD GLU A2033 8.693 -8.126 -7.989 1.00 0.00 C ATOM 86 OE1 GLU A2033 9.032 -6.919 -8.059 1.00 0.00 O ATOM 87 OE2 GLU A2033 8.646 -8.838 -9.012 1.00 0.00 O ATOM 0 H GLU A2033 7.444 -7.079 -4.060 1.00 0.00 H new ATOM 0 HA GLU A2033 7.328 -6.223 -6.779 1.00 0.00 H new ATOM 0 HB2 GLU A2033 6.571 -8.788 -5.338 1.00 0.00 H new ATOM 0 HB3 GLU A2033 6.155 -8.575 -7.027 1.00 0.00 H new ATOM 0 HG2 GLU A2033 8.971 -8.421 -5.882 1.00 0.00 H new ATOM 0 HG3 GLU A2033 8.292 -9.805 -6.715 1.00 0.00 H new ATOM 94 N THR A2034 4.787 -5.343 -5.543 1.00 0.00 N ATOM 95 CA THR A2034 3.471 -4.817 -5.842 1.00 0.00 C ATOM 96 C THR A2034 3.502 -3.303 -5.739 1.00 0.00 C ATOM 97 O THR A2034 4.490 -2.716 -5.253 1.00 0.00 O ATOM 98 CB THR A2034 2.341 -5.396 -4.902 1.00 0.00 C ATOM 99 OG1 THR A2034 1.031 -5.096 -5.438 1.00 0.00 O ATOM 100 CG2 THR A2034 2.411 -4.774 -3.526 1.00 0.00 C ATOM 0 H THR A2034 5.244 -4.942 -4.724 1.00 0.00 H new ATOM 0 HA THR A2034 3.222 -5.129 -6.856 1.00 0.00 H new ATOM 0 HB THR A2034 2.498 -6.473 -4.842 1.00 0.00 H new ATOM 0 HG1 THR A2034 0.343 -5.463 -4.845 1.00 0.00 H new ATOM 0 HG21 THR A2034 1.623 -5.189 -2.898 1.00 0.00 H new ATOM 0 HG22 THR A2034 3.382 -4.988 -3.079 1.00 0.00 H new ATOM 0 HG23 THR A2034 2.279 -3.695 -3.607 1.00 0.00 H new ATOM 108 N ARG A2035 2.450 -2.688 -6.191 1.00 0.00 N ATOM 109 CA ARG A2035 2.269 -1.280 -6.052 1.00 0.00 C ATOM 110 C ARG A2035 1.477 -1.098 -4.786 1.00 0.00 C ATOM 111 O ARG A2035 0.516 -1.844 -4.552 1.00 0.00 O ATOM 112 CB ARG A2035 1.460 -0.672 -7.226 1.00 0.00 C ATOM 113 CG ARG A2035 2.064 -0.796 -8.633 1.00 0.00 C ATOM 114 CD ARG A2035 2.048 -2.227 -9.173 1.00 0.00 C ATOM 115 NE ARG A2035 2.503 -2.284 -10.563 1.00 0.00 N ATOM 116 CZ ARG A2035 2.990 -3.353 -11.198 1.00 0.00 C ATOM 117 NH1 ARG A2035 3.175 -4.514 -10.559 1.00 0.00 N ATOM 118 NH2 ARG A2035 3.312 -3.245 -12.477 1.00 0.00 N ATOM 0 H ARG A2035 1.685 -3.160 -6.673 1.00 0.00 H new ATOM 0 HA ARG A2035 3.238 -0.782 -6.038 1.00 0.00 H new ATOM 0 HB2 ARG A2035 0.477 -1.142 -7.238 1.00 0.00 H new ATOM 0 HB3 ARG A2035 1.305 0.386 -7.017 1.00 0.00 H new ATOM 0 HG2 ARG A2035 1.512 -0.151 -9.316 1.00 0.00 H new ATOM 0 HG3 ARG A2035 3.092 -0.434 -8.613 1.00 0.00 H new ATOM 0 HD2 ARG A2035 2.687 -2.857 -8.554 1.00 0.00 H new ATOM 0 HD3 ARG A2035 1.038 -2.631 -9.103 1.00 0.00 H new ATOM 0 HE ARG A2035 2.442 -1.420 -11.101 1.00 0.00 H new ATOM 0 HH11 ARG A2035 2.943 -4.594 -9.569 1.00 0.00 H new ATOM 0 HH12 ARG A2035 3.548 -5.319 -11.062 1.00 0.00 H new ATOM 0 HH21 ARG A2035 3.187 -2.356 -12.961 1.00 0.00 H new ATOM 0 HH22 ARG A2035 3.685 -4.051 -12.979 1.00 0.00 H new ATOM 132 N ILE A2036 1.905 -0.213 -3.935 1.00 0.00 N ATOM 133 CA ILE A2036 1.154 0.071 -2.733 1.00 0.00 C ATOM 134 C ILE A2036 0.212 1.230 -3.012 1.00 0.00 C ATOM 135 O ILE A2036 0.671 2.345 -3.277 1.00 0.00 O ATOM 136 CB ILE A2036 2.077 0.435 -1.534 1.00 0.00 C ATOM 137 CG1 ILE A2036 3.105 -0.677 -1.276 1.00 0.00 C ATOM 138 CG2 ILE A2036 1.258 0.715 -0.266 1.00 0.00 C ATOM 139 CD1 ILE A2036 2.507 -2.035 -0.958 1.00 0.00 C ATOM 0 H ILE A2036 2.764 0.326 -4.043 1.00 0.00 H new ATOM 0 HA ILE A2036 0.601 -0.827 -2.458 1.00 0.00 H new ATOM 0 HB ILE A2036 2.614 1.346 -1.797 1.00 0.00 H new ATOM 0 HG12 ILE A2036 3.743 -0.773 -2.154 1.00 0.00 H new ATOM 0 HG13 ILE A2036 3.746 -0.375 -0.448 1.00 0.00 H new ATOM 0 HG21 ILE A2036 1.931 0.966 0.554 1.00 0.00 H new ATOM 0 HG22 ILE A2036 0.580 1.549 -0.448 1.00 0.00 H new ATOM 0 HG23 ILE A2036 0.681 -0.171 -0.003 1.00 0.00 H new ATOM 0 HD11 ILE A2036 3.308 -2.755 -0.791 1.00 0.00 H new ATOM 0 HD12 ILE A2036 1.893 -1.961 -0.061 1.00 0.00 H new ATOM 0 HD13 ILE A2036 1.890 -2.366 -1.794 1.00 0.00 H new ATOM 151 N PRO A2037 -1.111 0.988 -3.013 1.00 0.00 N ATOM 152 CA PRO A2037 -2.070 2.042 -3.238 1.00 0.00 C ATOM 153 C PRO A2037 -2.108 2.977 -2.052 1.00 0.00 C ATOM 154 O PRO A2037 -2.358 2.563 -0.903 1.00 0.00 O ATOM 155 CB PRO A2037 -3.401 1.312 -3.427 1.00 0.00 C ATOM 156 CG PRO A2037 -3.225 0.021 -2.708 1.00 0.00 C ATOM 157 CD PRO A2037 -1.756 -0.314 -2.789 1.00 0.00 C ATOM 0 HA PRO A2037 -1.827 2.663 -4.100 1.00 0.00 H new ATOM 0 HB2 PRO A2037 -4.230 1.886 -3.014 1.00 0.00 H new ATOM 0 HB3 PRO A2037 -3.619 1.151 -4.483 1.00 0.00 H new ATOM 0 HG2 PRO A2037 -3.547 0.107 -1.670 1.00 0.00 H new ATOM 0 HG3 PRO A2037 -3.828 -0.764 -3.165 1.00 0.00 H new ATOM 0 HD2 PRO A2037 -1.402 -0.783 -1.871 1.00 0.00 H new ATOM 0 HD3 PRO A2037 -1.548 -1.009 -3.603 1.00 0.00 H new ATOM 165 N VAL A2038 -1.824 4.206 -2.309 1.00 0.00 N ATOM 166 CA VAL A2038 -1.755 5.199 -1.285 1.00 0.00 C ATOM 167 C VAL A2038 -2.795 6.265 -1.512 1.00 0.00 C ATOM 168 O VAL A2038 -3.247 6.474 -2.637 1.00 0.00 O ATOM 169 CB VAL A2038 -0.342 5.840 -1.185 1.00 0.00 C ATOM 170 CG1 VAL A2038 0.679 4.823 -0.694 1.00 0.00 C ATOM 171 CG2 VAL A2038 0.094 6.409 -2.530 1.00 0.00 C ATOM 0 H VAL A2038 -1.630 4.558 -3.246 1.00 0.00 H new ATOM 0 HA VAL A2038 -1.956 4.698 -0.338 1.00 0.00 H new ATOM 0 HB VAL A2038 -0.397 6.656 -0.464 1.00 0.00 H new ATOM 0 HG11 VAL A2038 1.660 5.293 -0.632 1.00 0.00 H new ATOM 0 HG12 VAL A2038 0.387 4.461 0.292 1.00 0.00 H new ATOM 0 HG13 VAL A2038 0.722 3.985 -1.390 1.00 0.00 H new ATOM 0 HG21 VAL A2038 1.085 6.852 -2.434 1.00 0.00 H new ATOM 0 HG22 VAL A2038 0.124 5.610 -3.271 1.00 0.00 H new ATOM 0 HG23 VAL A2038 -0.615 7.173 -2.849 1.00 0.00 H new ATOM 181 N ILE A2039 -3.184 6.905 -0.457 1.00 0.00 N ATOM 182 CA ILE A2039 -4.144 7.957 -0.513 1.00 0.00 C ATOM 183 C ILE A2039 -3.575 9.184 0.190 1.00 0.00 C ATOM 184 O ILE A2039 -2.993 9.083 1.266 1.00 0.00 O ATOM 185 CB ILE A2039 -5.511 7.524 0.116 1.00 0.00 C ATOM 186 CG1 ILE A2039 -6.563 8.632 -0.034 1.00 0.00 C ATOM 187 CG2 ILE A2039 -5.348 7.117 1.587 1.00 0.00 C ATOM 188 CD1 ILE A2039 -7.950 8.250 0.454 1.00 0.00 C ATOM 0 H ILE A2039 -2.838 6.708 0.482 1.00 0.00 H new ATOM 0 HA ILE A2039 -4.345 8.200 -1.556 1.00 0.00 H new ATOM 0 HB ILE A2039 -5.862 6.649 -0.432 1.00 0.00 H new ATOM 0 HG12 ILE A2039 -6.227 9.512 0.515 1.00 0.00 H new ATOM 0 HG13 ILE A2039 -6.626 8.917 -1.084 1.00 0.00 H new ATOM 0 HG21 ILE A2039 -6.316 6.822 1.992 1.00 0.00 H new ATOM 0 HG22 ILE A2039 -4.655 6.279 1.658 1.00 0.00 H new ATOM 0 HG23 ILE A2039 -4.958 7.960 2.157 1.00 0.00 H new ATOM 0 HD11 ILE A2039 -8.630 9.090 0.311 1.00 0.00 H new ATOM 0 HD12 ILE A2039 -8.311 7.391 -0.111 1.00 0.00 H new ATOM 0 HD13 ILE A2039 -7.906 7.995 1.513 1.00 0.00 H new ATOM 200 N ASN A2040 -3.665 10.314 -0.453 1.00 0.00 N ATOM 201 CA ASN A2040 -3.182 11.557 0.122 1.00 0.00 C ATOM 202 C ASN A2040 -4.074 11.937 1.278 1.00 0.00 C ATOM 203 O ASN A2040 -5.286 11.947 1.141 1.00 0.00 O ATOM 204 CB ASN A2040 -3.154 12.681 -0.918 1.00 0.00 C ATOM 205 CG ASN A2040 -2.588 13.978 -0.364 1.00 0.00 C ATOM 206 OD1 ASN A2040 -3.319 14.803 0.170 1.00 0.00 O ATOM 207 ND2 ASN A2040 -1.300 14.166 -0.483 1.00 0.00 N ATOM 0 H ASN A2040 -4.071 10.409 -1.384 1.00 0.00 H new ATOM 0 HA ASN A2040 -2.160 11.410 0.471 1.00 0.00 H new ATOM 0 HB2 ASN A2040 -2.557 12.365 -1.773 1.00 0.00 H new ATOM 0 HB3 ASN A2040 -4.166 12.858 -1.284 1.00 0.00 H new ATOM 0 HD21 ASN A2040 -0.874 15.021 -0.125 1.00 0.00 H new ATOM 0 HD22 ASN A2040 -0.721 13.458 -0.934 1.00 0.00 H new ATOM 214 N LYS A2041 -3.480 12.228 2.396 1.00 0.00 N ATOM 215 CA LYS A2041 -4.201 12.537 3.611 1.00 0.00 C ATOM 216 C LYS A2041 -4.936 13.870 3.569 1.00 0.00 C ATOM 217 O LYS A2041 -5.927 14.056 4.269 1.00 0.00 O ATOM 218 CB LYS A2041 -3.261 12.513 4.791 1.00 0.00 C ATOM 219 CG LYS A2041 -2.638 11.152 5.051 1.00 0.00 C ATOM 220 CD LYS A2041 -1.664 11.216 6.207 1.00 0.00 C ATOM 221 CE LYS A2041 -2.364 11.549 7.521 1.00 0.00 C ATOM 222 NZ LYS A2041 -1.408 11.831 8.606 1.00 0.00 N ATOM 0 H LYS A2041 -2.466 12.260 2.500 1.00 0.00 H new ATOM 0 HA LYS A2041 -4.964 11.766 3.713 1.00 0.00 H new ATOM 0 HB2 LYS A2041 -2.466 13.240 4.625 1.00 0.00 H new ATOM 0 HB3 LYS A2041 -3.803 12.830 5.682 1.00 0.00 H new ATOM 0 HG2 LYS A2041 -3.420 10.425 5.269 1.00 0.00 H new ATOM 0 HG3 LYS A2041 -2.123 10.806 4.155 1.00 0.00 H new ATOM 0 HD2 LYS A2041 -1.149 10.260 6.302 1.00 0.00 H new ATOM 0 HD3 LYS A2041 -0.903 11.968 6.000 1.00 0.00 H new ATOM 0 HE2 LYS A2041 -3.012 12.414 7.376 1.00 0.00 H new ATOM 0 HE3 LYS A2041 -3.004 10.716 7.811 1.00 0.00 H new ATOM 0 HZ1 LYS A2041 -1.929 12.052 9.479 1.00 0.00 H new ATOM 0 HZ2 LYS A2041 -0.806 10.998 8.764 1.00 0.00 H new ATOM 0 HZ3 LYS A2041 -0.814 12.643 8.343 1.00 0.00 H new ATOM 236 N VAL A2042 -4.471 14.785 2.761 1.00 0.00 N ATOM 237 CA VAL A2042 -5.055 16.110 2.726 1.00 0.00 C ATOM 238 C VAL A2042 -6.159 16.212 1.672 1.00 0.00 C ATOM 239 O VAL A2042 -7.245 16.726 1.938 1.00 0.00 O ATOM 240 CB VAL A2042 -3.979 17.192 2.453 1.00 0.00 C ATOM 241 CG1 VAL A2042 -4.585 18.580 2.510 1.00 0.00 C ATOM 242 CG2 VAL A2042 -2.824 17.072 3.439 1.00 0.00 C ATOM 0 H VAL A2042 -3.692 14.643 2.118 1.00 0.00 H new ATOM 0 HA VAL A2042 -5.494 16.285 3.708 1.00 0.00 H new ATOM 0 HB VAL A2042 -3.587 17.030 1.449 1.00 0.00 H new ATOM 0 HG11 VAL A2042 -3.812 19.323 2.315 1.00 0.00 H new ATOM 0 HG12 VAL A2042 -5.368 18.666 1.757 1.00 0.00 H new ATOM 0 HG13 VAL A2042 -5.011 18.751 3.499 1.00 0.00 H new ATOM 0 HG21 VAL A2042 -2.083 17.842 3.226 1.00 0.00 H new ATOM 0 HG22 VAL A2042 -3.198 17.199 4.455 1.00 0.00 H new ATOM 0 HG23 VAL A2042 -2.364 16.089 3.342 1.00 0.00 H new ATOM 252 N ASP A2043 -5.879 15.746 0.480 1.00 0.00 N ATOM 253 CA ASP A2043 -6.849 15.838 -0.609 1.00 0.00 C ATOM 254 C ASP A2043 -7.723 14.606 -0.700 1.00 0.00 C ATOM 255 O ASP A2043 -8.892 14.688 -1.048 1.00 0.00 O ATOM 256 CB ASP A2043 -6.152 16.072 -1.947 1.00 0.00 C ATOM 257 CG ASP A2043 -7.134 16.195 -3.099 1.00 0.00 C ATOM 258 OD1 ASP A2043 -7.750 17.268 -3.249 1.00 0.00 O ATOM 259 OD2 ASP A2043 -7.322 15.213 -3.860 1.00 0.00 O ATOM 0 H ASP A2043 -4.996 15.300 0.229 1.00 0.00 H new ATOM 0 HA ASP A2043 -7.489 16.691 -0.384 1.00 0.00 H new ATOM 0 HB2 ASP A2043 -5.552 16.980 -1.887 1.00 0.00 H new ATOM 0 HB3 ASP A2043 -5.466 15.249 -2.145 1.00 0.00 H new ATOM 264 N GLY A2044 -7.172 13.470 -0.369 1.00 0.00 N ATOM 265 CA GLY A2044 -7.911 12.241 -0.509 1.00 0.00 C ATOM 266 C GLY A2044 -7.600 11.594 -1.829 1.00 0.00 C ATOM 267 O GLY A2044 -8.316 10.706 -2.281 1.00 0.00 O ATOM 0 H GLY A2044 -6.225 13.367 -0.004 1.00 0.00 H new ATOM 0 HA2 GLY A2044 -7.658 11.562 0.305 1.00 0.00 H new ATOM 0 HA3 GLY A2044 -8.980 12.441 -0.437 1.00 0.00 H new ATOM 271 N THR A2045 -6.526 12.062 -2.445 1.00 0.00 N ATOM 272 CA THR A2045 -6.061 11.568 -3.715 1.00 0.00 C ATOM 273 C THR A2045 -5.612 10.115 -3.593 1.00 0.00 C ATOM 274 O THR A2045 -4.592 9.833 -2.961 1.00 0.00 O ATOM 275 CB THR A2045 -4.859 12.398 -4.178 1.00 0.00 C ATOM 276 OG1 THR A2045 -5.134 13.788 -3.975 1.00 0.00 O ATOM 277 CG2 THR A2045 -4.556 12.148 -5.650 1.00 0.00 C ATOM 0 H THR A2045 -5.948 12.810 -2.062 1.00 0.00 H new ATOM 0 HA THR A2045 -6.880 11.641 -4.430 1.00 0.00 H new ATOM 0 HB THR A2045 -3.988 12.101 -3.593 1.00 0.00 H new ATOM 0 HG1 THR A2045 -6.087 13.958 -4.126 1.00 0.00 H new ATOM 0 HG21 THR A2045 -3.699 12.749 -5.952 1.00 0.00 H new ATOM 0 HG22 THR A2045 -4.330 11.092 -5.801 1.00 0.00 H new ATOM 0 HG23 THR A2045 -5.422 12.423 -6.252 1.00 0.00 H new ATOM 285 N LEU A2046 -6.379 9.219 -4.137 1.00 0.00 N ATOM 286 CA LEU A2046 -6.029 7.822 -4.128 1.00 0.00 C ATOM 287 C LEU A2046 -5.239 7.486 -5.377 1.00 0.00 C ATOM 288 O LEU A2046 -5.541 7.974 -6.469 1.00 0.00 O ATOM 289 CB LEU A2046 -7.305 6.938 -3.949 1.00 0.00 C ATOM 290 CG LEU A2046 -7.191 5.385 -4.104 1.00 0.00 C ATOM 291 CD1 LEU A2046 -7.082 4.958 -5.544 1.00 0.00 C ATOM 292 CD2 LEU A2046 -6.065 4.800 -3.251 1.00 0.00 C ATOM 0 H LEU A2046 -7.263 9.430 -4.599 1.00 0.00 H new ATOM 0 HA LEU A2046 -5.387 7.604 -3.274 1.00 0.00 H new ATOM 0 HB2 LEU A2046 -7.706 7.139 -2.955 1.00 0.00 H new ATOM 0 HB3 LEU A2046 -8.047 7.285 -4.668 1.00 0.00 H new ATOM 0 HG LEU A2046 -8.125 4.971 -3.724 1.00 0.00 H new ATOM 0 HD11 LEU A2046 -7.005 3.872 -5.597 1.00 0.00 H new ATOM 0 HD12 LEU A2046 -7.967 5.286 -6.089 1.00 0.00 H new ATOM 0 HD13 LEU A2046 -6.194 5.406 -5.990 1.00 0.00 H new ATOM 0 HD21 LEU A2046 -6.025 3.720 -3.392 1.00 0.00 H new ATOM 0 HD22 LEU A2046 -5.114 5.240 -3.552 1.00 0.00 H new ATOM 0 HD23 LEU A2046 -6.252 5.022 -2.200 1.00 0.00 H new ATOM 304 N LEU A2047 -4.237 6.675 -5.198 1.00 0.00 N ATOM 305 CA LEU A2047 -3.385 6.223 -6.255 1.00 0.00 C ATOM 306 C LEU A2047 -3.337 4.709 -6.255 1.00 0.00 C ATOM 307 O LEU A2047 -2.760 4.104 -5.351 1.00 0.00 O ATOM 308 CB LEU A2047 -1.962 6.780 -6.079 1.00 0.00 C ATOM 309 CG LEU A2047 -1.813 8.307 -5.978 1.00 0.00 C ATOM 310 CD1 LEU A2047 -0.360 8.674 -5.770 1.00 0.00 C ATOM 311 CD2 LEU A2047 -2.353 9.002 -7.220 1.00 0.00 C ATOM 0 H LEU A2047 -3.984 6.300 -4.284 1.00 0.00 H new ATOM 0 HA LEU A2047 -3.787 6.580 -7.203 1.00 0.00 H new ATOM 0 HB2 LEU A2047 -1.535 6.339 -5.178 1.00 0.00 H new ATOM 0 HB3 LEU A2047 -1.358 6.436 -6.919 1.00 0.00 H new ATOM 0 HG LEU A2047 -2.398 8.645 -5.123 1.00 0.00 H new ATOM 0 HD11 LEU A2047 -0.265 9.758 -5.700 1.00 0.00 H new ATOM 0 HD12 LEU A2047 0.002 8.217 -4.849 1.00 0.00 H new ATOM 0 HD13 LEU A2047 0.231 8.312 -6.611 1.00 0.00 H new ATOM 0 HD21 LEU A2047 -2.232 10.080 -7.115 1.00 0.00 H new ATOM 0 HD22 LEU A2047 -1.804 8.659 -8.097 1.00 0.00 H new ATOM 0 HD23 LEU A2047 -3.410 8.765 -7.339 1.00 0.00 H new ATOM 323 N VAL A2048 -4.031 4.108 -7.192 1.00 0.00 N ATOM 324 CA VAL A2048 -3.938 2.667 -7.442 1.00 0.00 C ATOM 325 C VAL A2048 -3.266 2.403 -8.776 1.00 0.00 C ATOM 326 O VAL A2048 -3.043 3.329 -9.562 1.00 0.00 O ATOM 327 CB VAL A2048 -5.311 1.939 -7.416 1.00 0.00 C ATOM 328 CG1 VAL A2048 -5.824 1.825 -6.005 1.00 0.00 C ATOM 329 CG2 VAL A2048 -6.332 2.649 -8.303 1.00 0.00 C ATOM 0 H VAL A2048 -4.681 4.594 -7.810 1.00 0.00 H new ATOM 0 HA VAL A2048 -3.342 2.264 -6.623 1.00 0.00 H new ATOM 0 HB VAL A2048 -5.164 0.935 -7.814 1.00 0.00 H new ATOM 0 HG11 VAL A2048 -6.786 1.313 -6.008 1.00 0.00 H new ATOM 0 HG12 VAL A2048 -5.113 1.258 -5.404 1.00 0.00 H new ATOM 0 HG13 VAL A2048 -5.945 2.822 -5.580 1.00 0.00 H new ATOM 0 HG21 VAL A2048 -7.282 2.116 -8.263 1.00 0.00 H new ATOM 0 HG22 VAL A2048 -6.474 3.670 -7.949 1.00 0.00 H new ATOM 0 HG23 VAL A2048 -5.970 2.669 -9.331 1.00 0.00 H new ATOM 339 N GLY A2049 -2.945 1.147 -9.024 1.00 0.00 N ATOM 340 CA GLY A2049 -2.322 0.754 -10.269 1.00 0.00 C ATOM 341 C GLY A2049 -0.975 1.397 -10.463 1.00 0.00 C ATOM 342 O GLY A2049 -0.174 1.455 -9.533 1.00 0.00 O ATOM 0 H GLY A2049 -3.108 0.379 -8.373 1.00 0.00 H new ATOM 0 HA2 GLY A2049 -2.211 -0.330 -10.290 1.00 0.00 H new ATOM 0 HA3 GLY A2049 -2.974 1.024 -11.100 1.00 0.00 H new ATOM 346 N GLU A2050 -0.747 1.937 -11.638 1.00 0.00 N ATOM 347 CA GLU A2050 0.526 2.553 -11.948 1.00 0.00 C ATOM 348 C GLU A2050 0.622 3.972 -11.447 1.00 0.00 C ATOM 349 O GLU A2050 1.667 4.614 -11.573 1.00 0.00 O ATOM 350 CB GLU A2050 0.863 2.453 -13.425 1.00 0.00 C ATOM 351 CG GLU A2050 1.221 1.053 -13.861 1.00 0.00 C ATOM 352 CD GLU A2050 2.467 0.576 -13.166 1.00 0.00 C ATOM 353 OE1 GLU A2050 3.568 1.002 -13.549 1.00 0.00 O ATOM 354 OE2 GLU A2050 2.386 -0.213 -12.221 1.00 0.00 O ATOM 0 H GLU A2050 -1.427 1.963 -12.398 1.00 0.00 H new ATOM 0 HA GLU A2050 1.280 1.982 -11.406 1.00 0.00 H new ATOM 0 HB2 GLU A2050 0.012 2.802 -14.009 1.00 0.00 H new ATOM 0 HB3 GLU A2050 1.696 3.120 -13.647 1.00 0.00 H new ATOM 0 HG2 GLU A2050 0.395 0.377 -13.640 1.00 0.00 H new ATOM 0 HG3 GLU A2050 1.371 1.031 -14.940 1.00 0.00 H new ATOM 361 N ASP A2051 -0.454 4.463 -10.887 1.00 0.00 N ATOM 362 CA ASP A2051 -0.462 5.768 -10.250 1.00 0.00 C ATOM 363 C ASP A2051 0.166 5.652 -8.891 1.00 0.00 C ATOM 364 O ASP A2051 0.693 6.613 -8.342 1.00 0.00 O ATOM 365 CB ASP A2051 -1.882 6.286 -10.105 1.00 0.00 C ATOM 366 CG ASP A2051 -2.448 6.853 -11.371 1.00 0.00 C ATOM 367 OD1 ASP A2051 -2.896 6.095 -12.242 1.00 0.00 O ATOM 368 OD2 ASP A2051 -2.459 8.088 -11.527 1.00 0.00 O ATOM 0 H ASP A2051 -1.350 3.976 -10.856 1.00 0.00 H new ATOM 0 HA ASP A2051 0.101 6.467 -10.869 1.00 0.00 H new ATOM 0 HB2 ASP A2051 -2.523 5.473 -9.763 1.00 0.00 H new ATOM 0 HB3 ASP A2051 -1.902 7.054 -9.332 1.00 0.00 H new ATOM 373 N ALA A2052 0.122 4.454 -8.373 1.00 0.00 N ATOM 374 CA ALA A2052 0.661 4.142 -7.093 1.00 0.00 C ATOM 375 C ALA A2052 2.137 3.810 -7.235 1.00 0.00 C ATOM 376 O ALA A2052 2.562 3.263 -8.273 1.00 0.00 O ATOM 377 CB ALA A2052 -0.104 2.980 -6.496 1.00 0.00 C ATOM 0 H ALA A2052 -0.301 3.656 -8.846 1.00 0.00 H new ATOM 0 HA ALA A2052 0.563 4.998 -6.425 1.00 0.00 H new ATOM 0 HB1 ALA A2052 0.307 2.739 -5.516 1.00 0.00 H new ATOM 0 HB2 ALA A2052 -1.155 3.251 -6.392 1.00 0.00 H new ATOM 0 HB3 ALA A2052 -0.016 2.112 -7.150 1.00 0.00 H new ATOM 383 N PRO A2053 2.951 4.182 -6.250 1.00 0.00 N ATOM 384 CA PRO A2053 4.372 3.895 -6.273 1.00 0.00 C ATOM 385 C PRO A2053 4.651 2.421 -5.987 1.00 0.00 C ATOM 386 O PRO A2053 3.818 1.702 -5.384 1.00 0.00 O ATOM 387 CB PRO A2053 4.939 4.775 -5.152 1.00 0.00 C ATOM 388 CG PRO A2053 3.805 4.960 -4.207 1.00 0.00 C ATOM 389 CD PRO A2053 2.551 4.922 -5.034 1.00 0.00 C ATOM 0 HA PRO A2053 4.818 4.097 -7.247 1.00 0.00 H new ATOM 0 HB2 PRO A2053 5.788 4.296 -4.663 1.00 0.00 H new ATOM 0 HB3 PRO A2053 5.292 5.731 -5.539 1.00 0.00 H new ATOM 0 HG2 PRO A2053 3.796 4.173 -3.453 1.00 0.00 H new ATOM 0 HG3 PRO A2053 3.892 5.909 -3.677 1.00 0.00 H new ATOM 0 HD2 PRO A2053 1.740 4.418 -4.508 1.00 0.00 H new ATOM 0 HD3 PRO A2053 2.200 5.926 -5.274 1.00 0.00 H new ATOM 397 N ARG A2054 5.807 1.966 -6.404 1.00 0.00 N ATOM 398 CA ARG A2054 6.188 0.598 -6.193 1.00 0.00 C ATOM 399 C ARG A2054 6.525 0.428 -4.752 1.00 0.00 C ATOM 400 O ARG A2054 7.054 1.346 -4.135 1.00 0.00 O ATOM 401 CB ARG A2054 7.421 0.269 -6.994 1.00 0.00 C ATOM 402 CG ARG A2054 7.273 0.455 -8.467 1.00 0.00 C ATOM 403 CD ARG A2054 8.622 0.389 -9.121 1.00 0.00 C ATOM 404 NE ARG A2054 8.557 0.648 -10.550 1.00 0.00 N ATOM 405 CZ ARG A2054 9.228 1.612 -11.174 1.00 0.00 C ATOM 406 NH1 ARG A2054 9.820 2.583 -10.473 1.00 0.00 N ATOM 407 NH2 ARG A2054 9.235 1.657 -12.499 1.00 0.00 N ATOM 0 H ARG A2054 6.502 2.530 -6.894 1.00 0.00 H new ATOM 0 HA ARG A2054 5.369 -0.054 -6.497 1.00 0.00 H new ATOM 0 HB2 ARG A2054 8.243 0.893 -6.643 1.00 0.00 H new ATOM 0 HB3 ARG A2054 7.700 -0.766 -6.798 1.00 0.00 H new ATOM 0 HG2 ARG A2054 6.621 -0.316 -8.877 1.00 0.00 H new ATOM 0 HG3 ARG A2054 6.803 1.416 -8.677 1.00 0.00 H new ATOM 0 HD2 ARG A2054 9.286 1.115 -8.652 1.00 0.00 H new ATOM 0 HD3 ARG A2054 9.057 -0.596 -8.952 1.00 0.00 H new ATOM 0 HE ARG A2054 7.954 0.048 -11.114 1.00 0.00 H new ATOM 0 HH11 ARG A2054 9.759 2.587 -9.455 1.00 0.00 H new ATOM 0 HH12 ARG A2054 10.334 3.320 -10.956 1.00 0.00 H new ATOM 0 HH21 ARG A2054 8.727 0.954 -13.036 1.00 0.00 H new ATOM 0 HH22 ARG A2054 9.748 2.395 -12.982 1.00 0.00 H new ATOM 421 N ARG A2055 6.248 -0.730 -4.218 1.00 0.00 N ATOM 422 CA ARG A2055 6.588 -1.019 -2.842 1.00 0.00 C ATOM 423 C ARG A2055 8.111 -0.888 -2.614 1.00 0.00 C ATOM 424 O ARG A2055 8.538 -0.438 -1.558 1.00 0.00 O ATOM 425 CB ARG A2055 6.015 -2.385 -2.404 1.00 0.00 C ATOM 426 CG ARG A2055 6.516 -2.904 -1.065 1.00 0.00 C ATOM 427 CD ARG A2055 6.332 -1.938 0.109 1.00 0.00 C ATOM 428 NE ARG A2055 7.420 -2.135 1.075 1.00 0.00 N ATOM 429 CZ ARG A2055 7.823 -1.241 1.990 1.00 0.00 C ATOM 430 NH1 ARG A2055 7.012 -0.279 2.406 1.00 0.00 N ATOM 431 NH2 ARG A2055 9.005 -1.380 2.554 1.00 0.00 N ATOM 0 H ARG A2055 5.787 -1.494 -4.712 1.00 0.00 H new ATOM 0 HA ARG A2055 6.118 -0.276 -2.198 1.00 0.00 H new ATOM 0 HB2 ARG A2055 4.929 -2.307 -2.361 1.00 0.00 H new ATOM 0 HB3 ARG A2055 6.251 -3.122 -3.172 1.00 0.00 H new ATOM 0 HG2 ARG A2055 5.998 -3.835 -0.835 1.00 0.00 H new ATOM 0 HG3 ARG A2055 7.575 -3.143 -1.158 1.00 0.00 H new ATOM 0 HD2 ARG A2055 6.330 -0.909 -0.249 1.00 0.00 H new ATOM 0 HD3 ARG A2055 5.369 -2.110 0.589 1.00 0.00 H new ATOM 0 HE ARG A2055 7.912 -3.028 1.048 1.00 0.00 H new ATOM 0 HH11 ARG A2055 6.066 -0.211 2.030 1.00 0.00 H new ATOM 0 HH12 ARG A2055 7.333 0.393 3.103 1.00 0.00 H new ATOM 0 HH21 ARG A2055 9.605 -2.163 2.294 1.00 0.00 H new ATOM 0 HH22 ARG A2055 9.320 -0.705 3.251 1.00 0.00 H new ATOM 445 N ALA A2056 8.898 -1.198 -3.653 1.00 0.00 N ATOM 446 CA ALA A2056 10.362 -1.059 -3.624 1.00 0.00 C ATOM 447 C ALA A2056 10.802 0.343 -3.192 1.00 0.00 C ATOM 448 O ALA A2056 11.774 0.502 -2.453 1.00 0.00 O ATOM 449 CB ALA A2056 10.934 -1.354 -5.004 1.00 0.00 C ATOM 0 H ALA A2056 8.538 -1.553 -4.539 1.00 0.00 H new ATOM 0 HA ALA A2056 10.740 -1.772 -2.892 1.00 0.00 H new ATOM 0 HB1 ALA A2056 12.019 -1.250 -4.978 1.00 0.00 H new ATOM 0 HB2 ALA A2056 10.674 -2.372 -5.296 1.00 0.00 H new ATOM 0 HB3 ALA A2056 10.519 -0.652 -5.727 1.00 0.00 H new ATOM 455 N GLU A2057 10.057 1.343 -3.616 1.00 0.00 N ATOM 456 CA GLU A2057 10.419 2.720 -3.363 1.00 0.00 C ATOM 457 C GLU A2057 9.377 3.431 -2.497 1.00 0.00 C ATOM 458 O GLU A2057 9.461 4.631 -2.294 1.00 0.00 O ATOM 459 CB GLU A2057 10.568 3.437 -4.701 1.00 0.00 C ATOM 460 CG GLU A2057 9.322 3.435 -5.549 1.00 0.00 C ATOM 461 CD GLU A2057 9.564 4.037 -6.895 1.00 0.00 C ATOM 462 OE1 GLU A2057 9.695 5.263 -6.989 1.00 0.00 O ATOM 463 OE2 GLU A2057 9.619 3.288 -7.894 1.00 0.00 O ATOM 0 H GLU A2057 9.191 1.225 -4.141 1.00 0.00 H new ATOM 0 HA GLU A2057 11.360 2.740 -2.814 1.00 0.00 H new ATOM 0 HB2 GLU A2057 10.865 4.469 -4.515 1.00 0.00 H new ATOM 0 HB3 GLU A2057 11.376 2.969 -5.263 1.00 0.00 H new ATOM 0 HG2 GLU A2057 8.965 2.412 -5.668 1.00 0.00 H new ATOM 0 HG3 GLU A2057 8.535 3.990 -5.039 1.00 0.00 H new ATOM 470 N LEU A2058 8.442 2.670 -1.954 1.00 0.00 N ATOM 471 CA LEU A2058 7.300 3.219 -1.210 1.00 0.00 C ATOM 472 C LEU A2058 7.744 4.057 -0.015 1.00 0.00 C ATOM 473 O LEU A2058 7.421 5.241 0.073 1.00 0.00 O ATOM 474 CB LEU A2058 6.319 2.066 -0.816 1.00 0.00 C ATOM 475 CG LEU A2058 5.007 2.391 -0.035 1.00 0.00 C ATOM 476 CD1 LEU A2058 5.250 2.693 1.432 1.00 0.00 C ATOM 477 CD2 LEU A2058 4.243 3.529 -0.698 1.00 0.00 C ATOM 0 H LEU A2058 8.445 1.652 -2.012 1.00 0.00 H new ATOM 0 HA LEU A2058 6.759 3.908 -1.859 1.00 0.00 H new ATOM 0 HB2 LEU A2058 6.031 1.557 -1.736 1.00 0.00 H new ATOM 0 HB3 LEU A2058 6.883 1.350 -0.218 1.00 0.00 H new ATOM 0 HG LEU A2058 4.397 1.488 -0.073 1.00 0.00 H new ATOM 0 HD11 LEU A2058 4.300 2.911 1.921 1.00 0.00 H new ATOM 0 HD12 LEU A2058 5.714 1.830 1.909 1.00 0.00 H new ATOM 0 HD13 LEU A2058 5.910 3.555 1.521 1.00 0.00 H new ATOM 0 HD21 LEU A2058 3.334 3.734 -0.133 1.00 0.00 H new ATOM 0 HD22 LEU A2058 4.867 4.423 -0.719 1.00 0.00 H new ATOM 0 HD23 LEU A2058 3.981 3.246 -1.717 1.00 0.00 H new ATOM 489 N GLU A2059 8.506 3.461 0.876 1.00 0.00 N ATOM 490 CA GLU A2059 8.933 4.163 2.078 1.00 0.00 C ATOM 491 C GLU A2059 9.916 5.274 1.767 1.00 0.00 C ATOM 492 O GLU A2059 9.927 6.288 2.424 1.00 0.00 O ATOM 493 CB GLU A2059 9.480 3.205 3.122 1.00 0.00 C ATOM 494 CG GLU A2059 10.588 2.293 2.643 1.00 0.00 C ATOM 495 CD GLU A2059 11.056 1.384 3.738 1.00 0.00 C ATOM 496 OE1 GLU A2059 10.431 0.333 3.958 1.00 0.00 O ATOM 497 OE2 GLU A2059 12.054 1.699 4.406 1.00 0.00 O ATOM 0 H GLU A2059 8.843 2.501 0.797 1.00 0.00 H new ATOM 0 HA GLU A2059 8.047 4.634 2.503 1.00 0.00 H new ATOM 0 HB2 GLU A2059 9.850 3.786 3.967 1.00 0.00 H new ATOM 0 HB3 GLU A2059 8.660 2.590 3.493 1.00 0.00 H new ATOM 0 HG2 GLU A2059 10.234 1.699 1.800 1.00 0.00 H new ATOM 0 HG3 GLU A2059 11.424 2.892 2.282 1.00 0.00 H new ATOM 504 N MET A2060 10.703 5.081 0.735 1.00 0.00 N ATOM 505 CA MET A2060 11.668 6.097 0.288 1.00 0.00 C ATOM 506 C MET A2060 10.923 7.319 -0.248 1.00 0.00 C ATOM 507 O MET A2060 11.343 8.461 -0.068 1.00 0.00 O ATOM 508 CB MET A2060 12.586 5.540 -0.803 1.00 0.00 C ATOM 509 CG MET A2060 13.421 4.347 -0.382 1.00 0.00 C ATOM 510 SD MET A2060 14.553 4.720 0.971 1.00 0.00 S ATOM 511 CE MET A2060 15.313 3.110 1.209 1.00 0.00 C ATOM 0 H MET A2060 10.705 4.228 0.176 1.00 0.00 H new ATOM 0 HA MET A2060 12.280 6.384 1.143 1.00 0.00 H new ATOM 0 HB2 MET A2060 11.977 5.255 -1.661 1.00 0.00 H new ATOM 0 HB3 MET A2060 13.254 6.334 -1.137 1.00 0.00 H new ATOM 0 HG2 MET A2060 12.759 3.535 -0.081 1.00 0.00 H new ATOM 0 HG3 MET A2060 13.993 3.990 -1.239 1.00 0.00 H new ATOM 0 HE1 MET A2060 16.043 3.168 2.016 1.00 0.00 H new ATOM 0 HE2 MET A2060 14.546 2.380 1.466 1.00 0.00 H new ATOM 0 HE3 MET A2060 15.812 2.804 0.290 1.00 0.00 H new ATOM 521 N TRP A2061 9.807 7.058 -0.886 1.00 0.00 N ATOM 522 CA TRP A2061 8.944 8.077 -1.431 1.00 0.00 C ATOM 523 C TRP A2061 8.241 8.811 -0.274 1.00 0.00 C ATOM 524 O TRP A2061 8.230 10.041 -0.224 1.00 0.00 O ATOM 525 CB TRP A2061 7.948 7.405 -2.382 1.00 0.00 C ATOM 526 CG TRP A2061 7.037 8.317 -3.129 1.00 0.00 C ATOM 527 CD1 TRP A2061 7.361 9.136 -4.174 1.00 0.00 C ATOM 528 CD2 TRP A2061 5.636 8.460 -2.923 1.00 0.00 C ATOM 529 NE1 TRP A2061 6.241 9.800 -4.608 1.00 0.00 N ATOM 530 CE2 TRP A2061 5.170 9.399 -3.858 1.00 0.00 C ATOM 531 CE3 TRP A2061 4.730 7.891 -2.027 1.00 0.00 C ATOM 532 CZ2 TRP A2061 3.840 9.777 -3.927 1.00 0.00 C ATOM 533 CZ3 TRP A2061 3.410 8.267 -2.098 1.00 0.00 C ATOM 534 CH2 TRP A2061 2.975 9.200 -3.043 1.00 0.00 C ATOM 0 H TRP A2061 9.467 6.110 -1.044 1.00 0.00 H new ATOM 0 HA TRP A2061 9.508 8.819 -1.996 1.00 0.00 H new ATOM 0 HB2 TRP A2061 8.510 6.814 -3.105 1.00 0.00 H new ATOM 0 HB3 TRP A2061 7.339 6.709 -1.805 1.00 0.00 H new ATOM 0 HD1 TRP A2061 8.350 9.244 -4.595 1.00 0.00 H new ATOM 0 HE1 TRP A2061 6.212 10.482 -5.366 1.00 0.00 H new ATOM 0 HE3 TRP A2061 5.059 7.170 -1.293 1.00 0.00 H new ATOM 0 HZ2 TRP A2061 3.500 10.501 -4.653 1.00 0.00 H new ATOM 0 HZ3 TRP A2061 2.697 7.834 -1.412 1.00 0.00 H new ATOM 0 HH2 TRP A2061 1.930 9.471 -3.075 1.00 0.00 H new ATOM 545 N LEU A2062 7.714 8.039 0.679 1.00 0.00 N ATOM 546 CA LEU A2062 7.069 8.587 1.888 1.00 0.00 C ATOM 547 C LEU A2062 8.055 9.380 2.740 1.00 0.00 C ATOM 548 O LEU A2062 7.678 10.318 3.436 1.00 0.00 O ATOM 549 CB LEU A2062 6.389 7.502 2.735 1.00 0.00 C ATOM 550 CG LEU A2062 5.181 6.797 2.111 1.00 0.00 C ATOM 551 CD1 LEU A2062 4.607 5.786 3.085 1.00 0.00 C ATOM 552 CD2 LEU A2062 4.108 7.805 1.712 1.00 0.00 C ATOM 0 H LEU A2062 7.719 7.020 0.641 1.00 0.00 H new ATOM 0 HA LEU A2062 6.292 9.264 1.535 1.00 0.00 H new ATOM 0 HB2 LEU A2062 7.134 6.746 2.981 1.00 0.00 H new ATOM 0 HB3 LEU A2062 6.071 7.954 3.675 1.00 0.00 H new ATOM 0 HG LEU A2062 5.515 6.279 1.212 1.00 0.00 H new ATOM 0 HD11 LEU A2062 3.749 5.291 2.631 1.00 0.00 H new ATOM 0 HD12 LEU A2062 5.367 5.044 3.329 1.00 0.00 H new ATOM 0 HD13 LEU A2062 4.292 6.296 3.995 1.00 0.00 H new ATOM 0 HD21 LEU A2062 3.261 7.279 1.271 1.00 0.00 H new ATOM 0 HD22 LEU A2062 3.776 8.352 2.595 1.00 0.00 H new ATOM 0 HD23 LEU A2062 4.519 8.505 0.984 1.00 0.00 H new ATOM 564 N GLN A2063 9.302 8.962 2.722 1.00 0.00 N ATOM 565 CA GLN A2063 10.381 9.620 3.429 1.00 0.00 C ATOM 566 C GLN A2063 10.535 11.076 2.944 1.00 0.00 C ATOM 567 O GLN A2063 10.925 11.969 3.712 1.00 0.00 O ATOM 568 CB GLN A2063 11.663 8.824 3.200 1.00 0.00 C ATOM 569 CG GLN A2063 12.842 9.243 4.039 1.00 0.00 C ATOM 570 CD GLN A2063 14.060 8.354 3.813 1.00 0.00 C ATOM 571 OE1 GLN A2063 14.267 7.812 2.725 1.00 0.00 O ATOM 572 NE2 GLN A2063 14.866 8.196 4.824 1.00 0.00 N ATOM 0 H GLN A2063 9.601 8.136 2.204 1.00 0.00 H new ATOM 0 HA GLN A2063 10.163 9.656 4.496 1.00 0.00 H new ATOM 0 HB2 GLN A2063 11.457 7.771 3.394 1.00 0.00 H new ATOM 0 HB3 GLN A2063 11.939 8.907 2.149 1.00 0.00 H new ATOM 0 HG2 GLN A2063 13.101 10.276 3.807 1.00 0.00 H new ATOM 0 HG3 GLN A2063 12.564 9.213 5.093 1.00 0.00 H new ATOM 0 HE21 GLN A2063 14.667 8.658 5.712 1.00 0.00 H new ATOM 0 HE22 GLN A2063 15.696 7.610 4.728 1.00 0.00 H new ATOM 581 N GLY A2064 10.194 11.310 1.695 1.00 0.00 N ATOM 582 CA GLY A2064 10.264 12.641 1.146 1.00 0.00 C ATOM 583 C GLY A2064 8.911 13.331 1.116 1.00 0.00 C ATOM 584 O GLY A2064 8.830 14.549 0.991 1.00 0.00 O ATOM 0 H GLY A2064 9.867 10.596 1.044 1.00 0.00 H new ATOM 0 HA2 GLY A2064 10.959 13.238 1.736 1.00 0.00 H new ATOM 0 HA3 GLY A2064 10.666 12.592 0.134 1.00 0.00 H new ATOM 588 N HIS A2065 7.858 12.565 1.262 1.00 0.00 N ATOM 589 CA HIS A2065 6.514 13.088 1.187 1.00 0.00 C ATOM 590 C HIS A2065 5.600 12.206 2.049 1.00 0.00 C ATOM 591 O HIS A2065 5.035 11.229 1.577 1.00 0.00 O ATOM 592 CB HIS A2065 6.044 13.117 -0.285 1.00 0.00 C ATOM 593 CG HIS A2065 4.780 13.892 -0.548 1.00 0.00 C ATOM 594 ND1 HIS A2065 4.704 14.959 -1.410 1.00 0.00 N ATOM 595 CD2 HIS A2065 3.532 13.706 -0.082 1.00 0.00 C ATOM 596 CE1 HIS A2065 3.438 15.375 -1.441 1.00 0.00 C ATOM 597 NE2 HIS A2065 2.681 14.645 -0.650 1.00 0.00 N ATOM 0 H HIS A2065 7.907 11.561 1.436 1.00 0.00 H new ATOM 0 HA HIS A2065 6.479 14.110 1.564 1.00 0.00 H new ATOM 0 HB2 HIS A2065 6.842 13.540 -0.895 1.00 0.00 H new ATOM 0 HB3 HIS A2065 5.897 12.091 -0.621 1.00 0.00 H new ATOM 0 HD1 HIS A2065 5.480 15.362 -1.934 1.00 0.00 H new ATOM 0 HD2 HIS A2065 3.237 12.944 0.625 1.00 0.00 H new ATOM 0 HE1 HIS A2065 3.081 16.202 -2.037 1.00 0.00 H new ATOM 605 N PRO A2066 5.493 12.521 3.341 1.00 0.00 N ATOM 606 CA PRO A2066 4.728 11.713 4.318 1.00 0.00 C ATOM 607 C PRO A2066 3.227 12.038 4.346 1.00 0.00 C ATOM 608 O PRO A2066 2.509 11.642 5.275 1.00 0.00 O ATOM 609 CB PRO A2066 5.366 12.139 5.637 1.00 0.00 C ATOM 610 CG PRO A2066 5.676 13.581 5.420 1.00 0.00 C ATOM 611 CD PRO A2066 6.144 13.681 3.993 1.00 0.00 C ATOM 0 HA PRO A2066 4.772 10.648 4.089 1.00 0.00 H new ATOM 0 HB2 PRO A2066 4.686 11.996 6.477 1.00 0.00 H new ATOM 0 HB3 PRO A2066 6.266 11.563 5.853 1.00 0.00 H new ATOM 0 HG2 PRO A2066 4.796 14.201 5.589 1.00 0.00 H new ATOM 0 HG3 PRO A2066 6.446 13.925 6.111 1.00 0.00 H new ATOM 0 HD2 PRO A2066 5.841 14.623 3.535 1.00 0.00 H new ATOM 0 HD3 PRO A2066 7.230 13.626 3.921 1.00 0.00 H new ATOM 619 N GLU A2067 2.757 12.727 3.338 1.00 0.00 N ATOM 620 CA GLU A2067 1.364 13.177 3.280 1.00 0.00 C ATOM 621 C GLU A2067 0.441 12.106 2.687 1.00 0.00 C ATOM 622 O GLU A2067 -0.741 12.351 2.449 1.00 0.00 O ATOM 623 CB GLU A2067 1.269 14.458 2.460 1.00 0.00 C ATOM 624 CG GLU A2067 2.161 15.581 2.966 1.00 0.00 C ATOM 625 CD GLU A2067 1.803 16.040 4.357 1.00 0.00 C ATOM 626 OE1 GLU A2067 0.913 16.916 4.503 1.00 0.00 O ATOM 627 OE2 GLU A2067 2.409 15.564 5.335 1.00 0.00 O ATOM 0 H GLU A2067 3.317 12.998 2.529 1.00 0.00 H new ATOM 0 HA GLU A2067 1.034 13.367 4.301 1.00 0.00 H new ATOM 0 HB2 GLU A2067 1.532 14.236 1.426 1.00 0.00 H new ATOM 0 HB3 GLU A2067 0.234 14.801 2.459 1.00 0.00 H new ATOM 0 HG2 GLU A2067 3.198 15.246 2.956 1.00 0.00 H new ATOM 0 HG3 GLU A2067 2.093 16.427 2.282 1.00 0.00 H new ATOM 634 N PHE A2068 0.972 10.934 2.454 1.00 0.00 N ATOM 635 CA PHE A2068 0.188 9.842 1.922 1.00 0.00 C ATOM 636 C PHE A2068 0.054 8.730 2.932 1.00 0.00 C ATOM 637 O PHE A2068 0.977 8.459 3.699 1.00 0.00 O ATOM 638 CB PHE A2068 0.769 9.302 0.610 1.00 0.00 C ATOM 639 CG PHE A2068 0.493 10.152 -0.603 1.00 0.00 C ATOM 640 CD1 PHE A2068 1.223 11.291 -0.861 1.00 0.00 C ATOM 641 CD2 PHE A2068 -0.499 9.791 -1.494 1.00 0.00 C ATOM 642 CE1 PHE A2068 0.966 12.062 -1.977 1.00 0.00 C ATOM 643 CE2 PHE A2068 -0.762 10.555 -2.615 1.00 0.00 C ATOM 644 CZ PHE A2068 -0.025 11.692 -2.858 1.00 0.00 C ATOM 0 H PHE A2068 1.952 10.707 2.625 1.00 0.00 H new ATOM 0 HA PHE A2068 -0.803 10.240 1.705 1.00 0.00 H new ATOM 0 HB2 PHE A2068 1.848 9.196 0.724 1.00 0.00 H new ATOM 0 HB3 PHE A2068 0.367 8.304 0.435 1.00 0.00 H new ATOM 0 HD1 PHE A2068 2.008 11.585 -0.180 1.00 0.00 H new ATOM 0 HD2 PHE A2068 -1.078 8.898 -1.312 1.00 0.00 H new ATOM 0 HE1 PHE A2068 1.543 12.957 -2.159 1.00 0.00 H new ATOM 0 HE2 PHE A2068 -1.544 10.261 -3.299 1.00 0.00 H new ATOM 0 HZ PHE A2068 -0.223 12.290 -3.735 1.00 0.00 H new ATOM 654 N ALA A2069 -1.098 8.126 2.949 1.00 0.00 N ATOM 655 CA ALA A2069 -1.397 7.010 3.802 1.00 0.00 C ATOM 656 C ALA A2069 -1.702 5.819 2.921 1.00 0.00 C ATOM 657 O ALA A2069 -1.884 5.984 1.720 1.00 0.00 O ATOM 658 CB ALA A2069 -2.585 7.331 4.696 1.00 0.00 C ATOM 0 H ALA A2069 -1.878 8.403 2.353 1.00 0.00 H new ATOM 0 HA ALA A2069 -0.547 6.790 4.448 1.00 0.00 H new ATOM 0 HB1 ALA A2069 -2.800 6.476 5.337 1.00 0.00 H new ATOM 0 HB2 ALA A2069 -2.351 8.198 5.314 1.00 0.00 H new ATOM 0 HB3 ALA A2069 -3.456 7.550 4.079 1.00 0.00 H new ATOM 664 N VAL A2070 -1.751 4.651 3.487 1.00 0.00 N ATOM 665 CA VAL A2070 -2.026 3.444 2.720 1.00 0.00 C ATOM 666 C VAL A2070 -3.545 3.262 2.543 1.00 0.00 C ATOM 667 O VAL A2070 -4.325 3.616 3.431 1.00 0.00 O ATOM 668 CB VAL A2070 -1.380 2.189 3.403 1.00 0.00 C ATOM 669 CG1 VAL A2070 -1.910 1.977 4.813 1.00 0.00 C ATOM 670 CG2 VAL A2070 -1.560 0.928 2.562 1.00 0.00 C ATOM 0 H VAL A2070 -1.605 4.494 4.484 1.00 0.00 H new ATOM 0 HA VAL A2070 -1.577 3.549 1.732 1.00 0.00 H new ATOM 0 HB VAL A2070 -0.311 2.390 3.476 1.00 0.00 H new ATOM 0 HG11 VAL A2070 -1.437 1.098 5.251 1.00 0.00 H new ATOM 0 HG12 VAL A2070 -1.684 2.852 5.422 1.00 0.00 H new ATOM 0 HG13 VAL A2070 -2.989 1.829 4.778 1.00 0.00 H new ATOM 0 HG21 VAL A2070 -1.098 0.082 3.071 1.00 0.00 H new ATOM 0 HG22 VAL A2070 -2.623 0.732 2.424 1.00 0.00 H new ATOM 0 HG23 VAL A2070 -1.087 1.068 1.590 1.00 0.00 H new ATOM 680 N ASP A2071 -3.950 2.770 1.380 1.00 0.00 N ATOM 681 CA ASP A2071 -5.360 2.501 1.092 1.00 0.00 C ATOM 682 C ASP A2071 -5.934 1.482 2.073 1.00 0.00 C ATOM 683 O ASP A2071 -5.344 0.407 2.288 1.00 0.00 O ATOM 684 CB ASP A2071 -5.547 1.991 -0.340 1.00 0.00 C ATOM 685 CG ASP A2071 -6.984 1.603 -0.638 1.00 0.00 C ATOM 686 OD1 ASP A2071 -7.827 2.487 -0.816 1.00 0.00 O ATOM 687 OD2 ASP A2071 -7.293 0.396 -0.671 1.00 0.00 O ATOM 0 H ASP A2071 -3.318 2.546 0.611 1.00 0.00 H new ATOM 0 HA ASP A2071 -5.896 3.443 1.202 1.00 0.00 H new ATOM 0 HB2 ASP A2071 -5.230 2.763 -1.041 1.00 0.00 H new ATOM 0 HB3 ASP A2071 -4.900 1.129 -0.502 1.00 0.00 H new ATOM 692 N PRO A2072 -7.087 1.800 2.681 1.00 0.00 N ATOM 693 CA PRO A2072 -7.739 0.939 3.665 1.00 0.00 C ATOM 694 C PRO A2072 -8.070 -0.469 3.144 1.00 0.00 C ATOM 695 O PRO A2072 -8.070 -1.441 3.919 1.00 0.00 O ATOM 696 CB PRO A2072 -9.014 1.700 4.040 1.00 0.00 C ATOM 697 CG PRO A2072 -9.204 2.709 2.963 1.00 0.00 C ATOM 698 CD PRO A2072 -7.839 3.059 2.483 1.00 0.00 C ATOM 0 HA PRO A2072 -7.077 0.751 4.510 1.00 0.00 H new ATOM 0 HB2 PRO A2072 -9.869 1.027 4.103 1.00 0.00 H new ATOM 0 HB3 PRO A2072 -8.913 2.179 5.014 1.00 0.00 H new ATOM 0 HG2 PRO A2072 -9.811 2.305 2.153 1.00 0.00 H new ATOM 0 HG3 PRO A2072 -9.723 3.590 3.341 1.00 0.00 H new ATOM 0 HD2 PRO A2072 -7.845 3.366 1.437 1.00 0.00 H new ATOM 0 HD3 PRO A2072 -7.408 3.881 3.054 1.00 0.00 H new ATOM 706 N ARG A2073 -8.313 -0.611 1.847 1.00 0.00 N ATOM 707 CA ARG A2073 -8.605 -1.920 1.306 1.00 0.00 C ATOM 708 C ARG A2073 -7.359 -2.728 1.085 1.00 0.00 C ATOM 709 O ARG A2073 -7.411 -3.948 1.075 1.00 0.00 O ATOM 710 CB ARG A2073 -9.532 -1.902 0.082 1.00 0.00 C ATOM 711 CG ARG A2073 -10.961 -1.600 0.465 1.00 0.00 C ATOM 712 CD ARG A2073 -11.930 -1.668 -0.702 1.00 0.00 C ATOM 713 NE ARG A2073 -13.309 -1.499 -0.221 1.00 0.00 N ATOM 714 CZ ARG A2073 -14.413 -1.415 -0.973 1.00 0.00 C ATOM 715 NH1 ARG A2073 -14.351 -1.498 -2.301 1.00 0.00 N ATOM 716 NH2 ARG A2073 -15.587 -1.253 -0.380 1.00 0.00 N ATOM 0 H ARG A2073 -8.313 0.150 1.168 1.00 0.00 H new ATOM 0 HA ARG A2073 -9.183 -2.431 2.076 1.00 0.00 H new ATOM 0 HB2 ARG A2073 -9.181 -1.154 -0.629 1.00 0.00 H new ATOM 0 HB3 ARG A2073 -9.487 -2.867 -0.422 1.00 0.00 H new ATOM 0 HG2 ARG A2073 -11.280 -2.305 1.233 1.00 0.00 H new ATOM 0 HG3 ARG A2073 -11.007 -0.605 0.907 1.00 0.00 H new ATOM 0 HD2 ARG A2073 -11.692 -0.891 -1.429 1.00 0.00 H new ATOM 0 HD3 ARG A2073 -11.829 -2.625 -1.214 1.00 0.00 H new ATOM 0 HE ARG A2073 -13.438 -1.440 0.789 1.00 0.00 H new ATOM 0 HH11 ARG A2073 -13.451 -1.628 -2.762 1.00 0.00 H new ATOM 0 HH12 ARG A2073 -15.204 -1.432 -2.857 1.00 0.00 H new ATOM 0 HH21 ARG A2073 -15.641 -1.194 0.637 1.00 0.00 H new ATOM 0 HH22 ARG A2073 -16.437 -1.187 -0.940 1.00 0.00 H new ATOM 730 N PHE A2074 -6.221 -2.065 0.977 1.00 0.00 N ATOM 731 CA PHE A2074 -4.975 -2.789 0.891 1.00 0.00 C ATOM 732 C PHE A2074 -4.683 -3.399 2.258 1.00 0.00 C ATOM 733 O PHE A2074 -4.123 -4.493 2.367 1.00 0.00 O ATOM 734 CB PHE A2074 -3.816 -1.908 0.411 1.00 0.00 C ATOM 735 CG PHE A2074 -2.532 -2.676 0.235 1.00 0.00 C ATOM 736 CD1 PHE A2074 -2.340 -3.470 -0.887 1.00 0.00 C ATOM 737 CD2 PHE A2074 -1.526 -2.614 1.185 1.00 0.00 C ATOM 738 CE1 PHE A2074 -1.174 -4.192 -1.052 1.00 0.00 C ATOM 739 CE2 PHE A2074 -0.358 -3.333 1.025 1.00 0.00 C ATOM 740 CZ PHE A2074 -0.182 -4.120 -0.095 1.00 0.00 C ATOM 0 H PHE A2074 -6.138 -1.049 0.948 1.00 0.00 H new ATOM 0 HA PHE A2074 -5.073 -3.576 0.143 1.00 0.00 H new ATOM 0 HB2 PHE A2074 -4.088 -1.442 -0.536 1.00 0.00 H new ATOM 0 HB3 PHE A2074 -3.657 -1.103 1.128 1.00 0.00 H new ATOM 0 HD1 PHE A2074 -3.112 -3.524 -1.640 1.00 0.00 H new ATOM 0 HD2 PHE A2074 -1.657 -1.996 2.061 1.00 0.00 H new ATOM 0 HE1 PHE A2074 -1.039 -4.811 -1.927 1.00 0.00 H new ATOM 0 HE2 PHE A2074 0.417 -3.280 1.775 1.00 0.00 H new ATOM 0 HZ PHE A2074 0.733 -4.680 -0.223 1.00 0.00 H new ATOM 750 N LEU A2075 -5.115 -2.696 3.302 1.00 0.00 N ATOM 751 CA LEU A2075 -5.026 -3.204 4.662 1.00 0.00 C ATOM 752 C LEU A2075 -5.915 -4.438 4.798 1.00 0.00 C ATOM 753 O LEU A2075 -5.563 -5.402 5.484 1.00 0.00 O ATOM 754 CB LEU A2075 -5.447 -2.138 5.678 1.00 0.00 C ATOM 755 CG LEU A2075 -4.606 -0.862 5.722 1.00 0.00 C ATOM 756 CD1 LEU A2075 -5.160 0.099 6.762 1.00 0.00 C ATOM 757 CD2 LEU A2075 -3.150 -1.193 6.026 1.00 0.00 C ATOM 0 H LEU A2075 -5.532 -1.768 3.228 1.00 0.00 H new ATOM 0 HA LEU A2075 -3.990 -3.472 4.868 1.00 0.00 H new ATOM 0 HB2 LEU A2075 -6.480 -1.858 5.469 1.00 0.00 H new ATOM 0 HB3 LEU A2075 -5.433 -2.589 6.670 1.00 0.00 H new ATOM 0 HG LEU A2075 -4.653 -0.382 4.745 1.00 0.00 H new ATOM 0 HD11 LEU A2075 -4.552 1.003 6.783 1.00 0.00 H new ATOM 0 HD12 LEU A2075 -6.187 0.359 6.507 1.00 0.00 H new ATOM 0 HD13 LEU A2075 -5.139 -0.375 7.743 1.00 0.00 H new ATOM 0 HD21 LEU A2075 -2.566 -0.273 6.054 1.00 0.00 H new ATOM 0 HD22 LEU A2075 -3.085 -1.693 6.992 1.00 0.00 H new ATOM 0 HD23 LEU A2075 -2.756 -1.850 5.250 1.00 0.00 H new ATOM 769 N ALA A2076 -7.053 -4.408 4.111 1.00 0.00 N ATOM 770 CA ALA A2076 -7.971 -5.537 4.079 1.00 0.00 C ATOM 771 C ALA A2076 -7.332 -6.716 3.337 1.00 0.00 C ATOM 772 O ALA A2076 -7.471 -7.856 3.742 1.00 0.00 O ATOM 773 CB ALA A2076 -9.296 -5.142 3.440 1.00 0.00 C ATOM 0 H ALA A2076 -7.362 -3.604 3.564 1.00 0.00 H new ATOM 0 HA ALA A2076 -8.178 -5.846 5.104 1.00 0.00 H new ATOM 0 HB1 ALA A2076 -9.965 -6.003 3.428 1.00 0.00 H new ATOM 0 HB2 ALA A2076 -9.752 -4.336 4.016 1.00 0.00 H new ATOM 0 HB3 ALA A2076 -9.121 -4.804 2.419 1.00 0.00 H new ATOM 779 N TYR A2077 -6.603 -6.413 2.264 1.00 0.00 N ATOM 780 CA TYR A2077 -5.846 -7.423 1.496 1.00 0.00 C ATOM 781 C TYR A2077 -4.776 -8.078 2.355 1.00 0.00 C ATOM 782 O TYR A2077 -4.441 -9.248 2.166 1.00 0.00 O ATOM 783 CB TYR A2077 -5.200 -6.806 0.247 1.00 0.00 C ATOM 784 CG TYR A2077 -6.097 -6.745 -0.966 1.00 0.00 C ATOM 785 CD1 TYR A2077 -7.363 -6.182 -0.914 1.00 0.00 C ATOM 786 CD2 TYR A2077 -5.675 -7.280 -2.166 1.00 0.00 C ATOM 787 CE1 TYR A2077 -8.175 -6.153 -2.023 1.00 0.00 C ATOM 788 CE2 TYR A2077 -6.482 -7.259 -3.278 1.00 0.00 C ATOM 789 CZ TYR A2077 -7.727 -6.693 -3.203 1.00 0.00 C ATOM 790 OH TYR A2077 -8.530 -6.688 -4.311 1.00 0.00 O ATOM 0 H TYR A2077 -6.515 -5.466 1.896 1.00 0.00 H new ATOM 0 HA TYR A2077 -6.558 -8.185 1.180 1.00 0.00 H new ATOM 0 HB2 TYR A2077 -4.869 -5.796 0.488 1.00 0.00 H new ATOM 0 HB3 TYR A2077 -4.309 -7.381 -0.006 1.00 0.00 H new ATOM 0 HD1 TYR A2077 -7.718 -5.759 0.014 1.00 0.00 H new ATOM 0 HD2 TYR A2077 -4.692 -7.723 -2.232 1.00 0.00 H new ATOM 0 HE1 TYR A2077 -9.158 -5.709 -1.966 1.00 0.00 H new ATOM 0 HE2 TYR A2077 -6.136 -7.687 -4.207 1.00 0.00 H new ATOM 0 HH TYR A2077 -8.057 -7.108 -5.060 1.00 0.00 H new ATOM 800 N MET A2078 -4.229 -7.309 3.265 1.00 0.00 N ATOM 801 CA MET A2078 -3.243 -7.788 4.215 1.00 0.00 C ATOM 802 C MET A2078 -3.880 -8.802 5.182 1.00 0.00 C ATOM 803 O MET A2078 -3.271 -9.815 5.521 1.00 0.00 O ATOM 804 CB MET A2078 -2.601 -6.567 4.936 1.00 0.00 C ATOM 805 CG MET A2078 -1.649 -6.856 6.100 1.00 0.00 C ATOM 806 SD MET A2078 -2.505 -7.303 7.629 1.00 0.00 S ATOM 807 CE MET A2078 -1.122 -7.466 8.752 1.00 0.00 C ATOM 0 H MET A2078 -4.456 -6.320 3.371 1.00 0.00 H new ATOM 0 HA MET A2078 -2.443 -8.323 3.703 1.00 0.00 H new ATOM 0 HB2 MET A2078 -2.057 -5.985 4.192 1.00 0.00 H new ATOM 0 HB3 MET A2078 -3.407 -5.934 5.309 1.00 0.00 H new ATOM 0 HG2 MET A2078 -0.977 -7.666 5.818 1.00 0.00 H new ATOM 0 HG3 MET A2078 -1.031 -5.977 6.281 1.00 0.00 H new ATOM 0 HE1 MET A2078 -1.487 -7.740 9.742 1.00 0.00 H new ATOM 0 HE2 MET A2078 -0.447 -8.240 8.388 1.00 0.00 H new ATOM 0 HE3 MET A2078 -0.588 -6.518 8.812 1.00 0.00 H new