USER MOD reduce.3.24.130724 H: found=0, std=0, add=476, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 476 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 78:sc= 0.334 USER MOD Single : A2040 ASN : amide:sc= 1.41 K(o=1.4,f=-12!) USER MOD Single : A2041 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2045 THR OG1 : rot 31:sc= 1 USER MOD Single : A2060 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A2063 GLN : amide:sc= -0.0653 X(o=-0.065,f=-0.04) USER MOD Single : A2065 HIS : no HE2:sc= 0.062 X(o=0.062,f=-0.29) USER MOD Single : A2077 TYR OH : rot 180:sc= 0 USER MOD Single : A2078 MET CE :methyl -165:sc= -0.0222 (180deg=-0.28) USER MOD Single : A2083 LYS NZ :NH3+ 166:sc= -0.0403 (180deg=-0.237) USER MOD Single : A2084 GLN : amide:sc= -0.452 X(o=-0.45,f=0) USER MOD Single : A2085 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A2028 0.814 -8.671 2.754 1.00 0.00 N ATOM 2 CA LEU A2028 0.374 -10.015 2.408 1.00 0.00 C ATOM 3 C LEU A2028 1.316 -10.665 1.412 1.00 0.00 C ATOM 4 O LEU A2028 0.952 -11.628 0.726 1.00 0.00 O ATOM 5 CB LEU A2028 -1.098 -9.982 1.918 1.00 0.00 C ATOM 6 CG LEU A2028 -1.500 -8.881 0.905 1.00 0.00 C ATOM 7 CD1 LEU A2028 -0.849 -9.061 -0.457 1.00 0.00 C ATOM 8 CD2 LEU A2028 -3.005 -8.819 0.768 1.00 0.00 C ATOM 0 HA LEU A2028 0.405 -10.641 3.300 1.00 0.00 H new ATOM 0 HB2 LEU A2028 -1.322 -10.949 1.468 1.00 0.00 H new ATOM 0 HB3 LEU A2028 -1.740 -9.882 2.793 1.00 0.00 H new ATOM 0 HG LEU A2028 -1.131 -7.936 1.304 1.00 0.00 H new ATOM 0 HD11 LEU A2028 -1.170 -8.259 -1.122 1.00 0.00 H new ATOM 0 HD12 LEU A2028 0.235 -9.031 -0.349 1.00 0.00 H new ATOM 0 HD13 LEU A2028 -1.145 -10.022 -0.878 1.00 0.00 H new ATOM 0 HD21 LEU A2028 -3.274 -8.041 0.053 1.00 0.00 H new ATOM 0 HD22 LEU A2028 -3.378 -9.780 0.415 1.00 0.00 H new ATOM 0 HD23 LEU A2028 -3.449 -8.591 1.737 1.00 0.00 H new ATOM 20 N ASP A2029 2.547 -10.174 1.428 1.00 0.00 N ATOM 21 CA ASP A2029 3.651 -10.567 0.529 1.00 0.00 C ATOM 22 C ASP A2029 3.357 -10.110 -0.899 1.00 0.00 C ATOM 23 O ASP A2029 2.387 -10.549 -1.529 1.00 0.00 O ATOM 24 CB ASP A2029 3.933 -12.076 0.579 1.00 0.00 C ATOM 25 CG ASP A2029 5.367 -12.400 0.262 1.00 0.00 C ATOM 26 OD1 ASP A2029 5.856 -12.056 -0.822 1.00 0.00 O ATOM 27 OD2 ASP A2029 6.057 -12.962 1.143 1.00 0.00 O ATOM 0 H ASP A2029 2.828 -9.456 2.096 1.00 0.00 H new ATOM 0 HA ASP A2029 4.555 -10.068 0.880 1.00 0.00 H new ATOM 0 HB2 ASP A2029 3.688 -12.456 1.571 1.00 0.00 H new ATOM 0 HB3 ASP A2029 3.282 -12.589 -0.129 1.00 0.00 H new ATOM 32 N VAL A2030 4.159 -9.199 -1.400 1.00 0.00 N ATOM 33 CA VAL A2030 3.896 -8.607 -2.711 1.00 0.00 C ATOM 34 C VAL A2030 5.092 -8.722 -3.670 1.00 0.00 C ATOM 35 O VAL A2030 5.051 -8.217 -4.798 1.00 0.00 O ATOM 36 CB VAL A2030 3.485 -7.116 -2.590 1.00 0.00 C ATOM 37 CG1 VAL A2030 2.201 -6.942 -1.787 1.00 0.00 C ATOM 38 CG2 VAL A2030 4.605 -6.265 -1.999 1.00 0.00 C ATOM 0 H VAL A2030 4.994 -8.848 -0.932 1.00 0.00 H new ATOM 0 HA VAL A2030 3.069 -9.181 -3.129 1.00 0.00 H new ATOM 0 HB VAL A2030 3.295 -6.765 -3.604 1.00 0.00 H new ATOM 0 HG11 VAL A2030 1.950 -5.883 -1.727 1.00 0.00 H new ATOM 0 HG12 VAL A2030 1.390 -7.480 -2.277 1.00 0.00 H new ATOM 0 HG13 VAL A2030 2.344 -7.338 -0.782 1.00 0.00 H new ATOM 0 HG21 VAL A2030 4.277 -5.228 -1.931 1.00 0.00 H new ATOM 0 HG22 VAL A2030 4.855 -6.632 -1.004 1.00 0.00 H new ATOM 0 HG23 VAL A2030 5.485 -6.326 -2.639 1.00 0.00 H new ATOM 48 N ASP A2031 6.158 -9.358 -3.197 1.00 0.00 N ATOM 49 CA ASP A2031 7.419 -9.566 -3.961 1.00 0.00 C ATOM 50 C ASP A2031 8.062 -8.203 -4.345 1.00 0.00 C ATOM 51 O ASP A2031 8.857 -8.090 -5.270 1.00 0.00 O ATOM 52 CB ASP A2031 7.176 -10.466 -5.200 1.00 0.00 C ATOM 53 CG ASP A2031 8.456 -11.036 -5.782 1.00 0.00 C ATOM 54 OD1 ASP A2031 9.059 -11.926 -5.155 1.00 0.00 O ATOM 55 OD2 ASP A2031 8.873 -10.640 -6.880 1.00 0.00 O ATOM 0 H ASP A2031 6.188 -9.756 -2.258 1.00 0.00 H new ATOM 0 HA ASP A2031 8.128 -10.090 -3.320 1.00 0.00 H new ATOM 0 HB2 ASP A2031 6.514 -11.286 -4.922 1.00 0.00 H new ATOM 0 HB3 ASP A2031 6.662 -9.887 -5.967 1.00 0.00 H new ATOM 60 N LEU A2032 7.686 -7.182 -3.577 1.00 0.00 N ATOM 61 CA LEU A2032 8.186 -5.794 -3.663 1.00 0.00 C ATOM 62 C LEU A2032 7.779 -4.989 -4.923 1.00 0.00 C ATOM 63 O LEU A2032 7.729 -3.756 -4.868 1.00 0.00 O ATOM 64 CB LEU A2032 9.700 -5.712 -3.420 1.00 0.00 C ATOM 65 CG LEU A2032 10.197 -6.205 -2.056 1.00 0.00 C ATOM 66 CD1 LEU A2032 11.698 -6.059 -1.963 1.00 0.00 C ATOM 67 CD2 LEU A2032 9.519 -5.450 -0.917 1.00 0.00 C ATOM 0 H LEU A2032 6.991 -7.296 -2.839 1.00 0.00 H new ATOM 0 HA LEU A2032 7.661 -5.294 -2.849 1.00 0.00 H new ATOM 0 HB2 LEU A2032 10.203 -6.289 -4.196 1.00 0.00 H new ATOM 0 HB3 LEU A2032 10.010 -4.674 -3.543 1.00 0.00 H new ATOM 0 HG LEU A2032 9.937 -7.259 -1.962 1.00 0.00 H new ATOM 0 HD11 LEU A2032 12.038 -6.413 -0.990 1.00 0.00 H new ATOM 0 HD12 LEU A2032 12.170 -6.649 -2.749 1.00 0.00 H new ATOM 0 HD13 LEU A2032 11.970 -5.010 -2.083 1.00 0.00 H new ATOM 0 HD21 LEU A2032 9.891 -5.821 0.038 1.00 0.00 H new ATOM 0 HD22 LEU A2032 9.740 -4.386 -1.004 1.00 0.00 H new ATOM 0 HD23 LEU A2032 8.441 -5.603 -0.970 1.00 0.00 H new ATOM 79 N GLU A2033 7.468 -5.640 -6.032 1.00 0.00 N ATOM 80 CA GLU A2033 7.147 -4.873 -7.242 1.00 0.00 C ATOM 81 C GLU A2033 5.693 -4.378 -7.286 1.00 0.00 C ATOM 82 O GLU A2033 5.372 -3.482 -8.067 1.00 0.00 O ATOM 83 CB GLU A2033 7.528 -5.592 -8.544 1.00 0.00 C ATOM 84 CG GLU A2033 6.850 -6.925 -8.781 1.00 0.00 C ATOM 85 CD GLU A2033 7.031 -7.393 -10.207 1.00 0.00 C ATOM 86 OE1 GLU A2033 6.212 -7.017 -11.060 1.00 0.00 O ATOM 87 OE2 GLU A2033 7.997 -8.132 -10.510 1.00 0.00 O ATOM 0 H GLU A2033 7.429 -6.655 -6.129 1.00 0.00 H new ATOM 0 HA GLU A2033 7.781 -3.989 -7.173 1.00 0.00 H new ATOM 0 HB2 GLU A2033 7.297 -4.934 -9.382 1.00 0.00 H new ATOM 0 HB3 GLU A2033 8.607 -5.748 -8.549 1.00 0.00 H new ATOM 0 HG2 GLU A2033 7.260 -7.669 -8.098 1.00 0.00 H new ATOM 0 HG3 GLU A2033 5.787 -6.838 -8.558 1.00 0.00 H new ATOM 94 N THR A2034 4.828 -4.940 -6.456 1.00 0.00 N ATOM 95 CA THR A2034 3.450 -4.483 -6.392 1.00 0.00 C ATOM 96 C THR A2034 3.405 -3.055 -5.849 1.00 0.00 C ATOM 97 O THR A2034 4.122 -2.723 -4.898 1.00 0.00 O ATOM 98 CB THR A2034 2.604 -5.404 -5.500 1.00 0.00 C ATOM 99 OG1 THR A2034 2.753 -6.766 -5.943 1.00 0.00 O ATOM 100 CG2 THR A2034 1.121 -5.032 -5.539 1.00 0.00 C ATOM 0 H THR A2034 5.054 -5.707 -5.823 1.00 0.00 H new ATOM 0 HA THR A2034 3.034 -4.506 -7.399 1.00 0.00 H new ATOM 0 HB THR A2034 2.958 -5.288 -4.475 1.00 0.00 H new ATOM 0 HG1 THR A2034 3.612 -7.119 -5.631 1.00 0.00 H new ATOM 0 HG21 THR A2034 0.559 -5.708 -4.895 1.00 0.00 H new ATOM 0 HG22 THR A2034 0.994 -4.008 -5.189 1.00 0.00 H new ATOM 0 HG23 THR A2034 0.752 -5.115 -6.561 1.00 0.00 H new ATOM 108 N ARG A2035 2.603 -2.225 -6.461 1.00 0.00 N ATOM 109 CA ARG A2035 2.491 -0.845 -6.066 1.00 0.00 C ATOM 110 C ARG A2035 1.448 -0.733 -4.986 1.00 0.00 C ATOM 111 O ARG A2035 0.304 -1.167 -5.171 1.00 0.00 O ATOM 112 CB ARG A2035 2.124 0.079 -7.247 1.00 0.00 C ATOM 113 CG ARG A2035 3.091 0.075 -8.447 1.00 0.00 C ATOM 114 CD ARG A2035 2.922 -1.153 -9.302 1.00 0.00 C ATOM 115 NE ARG A2035 3.851 -1.217 -10.423 1.00 0.00 N ATOM 116 CZ ARG A2035 4.085 -2.340 -11.125 1.00 0.00 C ATOM 117 NH1 ARG A2035 3.401 -3.454 -10.847 1.00 0.00 N ATOM 118 NH2 ARG A2035 4.977 -2.348 -12.106 1.00 0.00 N ATOM 0 H ARG A2035 2.008 -2.486 -7.248 1.00 0.00 H new ATOM 0 HA ARG A2035 3.464 -0.519 -5.699 1.00 0.00 H new ATOM 0 HB2 ARG A2035 1.134 -0.202 -7.605 1.00 0.00 H new ATOM 0 HB3 ARG A2035 2.050 1.100 -6.872 1.00 0.00 H new ATOM 0 HG2 ARG A2035 2.921 0.965 -9.053 1.00 0.00 H new ATOM 0 HG3 ARG A2035 4.118 0.127 -8.085 1.00 0.00 H new ATOM 0 HD2 ARG A2035 3.054 -2.039 -8.681 1.00 0.00 H new ATOM 0 HD3 ARG A2035 1.902 -1.181 -9.685 1.00 0.00 H new ATOM 0 HE ARG A2035 4.349 -0.367 -10.689 1.00 0.00 H new ATOM 0 HH11 ARG A2035 2.703 -3.452 -10.103 1.00 0.00 H new ATOM 0 HH12 ARG A2035 3.577 -4.307 -11.378 1.00 0.00 H new ATOM 0 HH21 ARG A2035 5.492 -1.498 -12.334 1.00 0.00 H new ATOM 0 HH22 ARG A2035 5.148 -3.204 -12.633 1.00 0.00 H new ATOM 132 N ILE A2036 1.835 -0.196 -3.864 1.00 0.00 N ATOM 133 CA ILE A2036 0.934 -0.063 -2.744 1.00 0.00 C ATOM 134 C ILE A2036 0.051 1.165 -2.928 1.00 0.00 C ATOM 135 O ILE A2036 0.564 2.266 -3.163 1.00 0.00 O ATOM 136 CB ILE A2036 1.706 0.033 -1.392 1.00 0.00 C ATOM 137 CG1 ILE A2036 2.580 -1.213 -1.168 1.00 0.00 C ATOM 138 CG2 ILE A2036 0.759 0.242 -0.208 1.00 0.00 C ATOM 139 CD1 ILE A2036 1.823 -2.532 -1.185 1.00 0.00 C ATOM 0 H ILE A2036 2.776 0.161 -3.696 1.00 0.00 H new ATOM 0 HA ILE A2036 0.312 -0.957 -2.710 1.00 0.00 H new ATOM 0 HB ILE A2036 2.355 0.907 -1.454 1.00 0.00 H new ATOM 0 HG12 ILE A2036 3.351 -1.242 -1.938 1.00 0.00 H new ATOM 0 HG13 ILE A2036 3.090 -1.115 -0.210 1.00 0.00 H new ATOM 0 HG21 ILE A2036 1.337 0.303 0.714 1.00 0.00 H new ATOM 0 HG22 ILE A2036 0.200 1.167 -0.348 1.00 0.00 H new ATOM 0 HG23 ILE A2036 0.064 -0.596 -0.145 1.00 0.00 H new ATOM 0 HD11 ILE A2036 2.520 -3.354 -1.019 1.00 0.00 H new ATOM 0 HD12 ILE A2036 1.070 -2.530 -0.397 1.00 0.00 H new ATOM 0 HD13 ILE A2036 1.336 -2.659 -2.152 1.00 0.00 H new ATOM 151 N PRO A2037 -1.284 0.988 -2.875 1.00 0.00 N ATOM 152 CA PRO A2037 -2.217 2.092 -2.985 1.00 0.00 C ATOM 153 C PRO A2037 -2.037 3.096 -1.845 1.00 0.00 C ATOM 154 O PRO A2037 -2.203 2.770 -0.657 1.00 0.00 O ATOM 155 CB PRO A2037 -3.604 1.435 -2.915 1.00 0.00 C ATOM 156 CG PRO A2037 -3.371 0.079 -2.349 1.00 0.00 C ATOM 157 CD PRO A2037 -1.974 -0.307 -2.728 1.00 0.00 C ATOM 0 HA PRO A2037 -2.067 2.657 -3.905 1.00 0.00 H new ATOM 0 HB2 PRO A2037 -4.281 2.012 -2.285 1.00 0.00 H new ATOM 0 HB3 PRO A2037 -4.061 1.375 -3.903 1.00 0.00 H new ATOM 0 HG2 PRO A2037 -3.491 0.085 -1.266 1.00 0.00 H new ATOM 0 HG3 PRO A2037 -4.092 -0.636 -2.746 1.00 0.00 H new ATOM 0 HD2 PRO A2037 -1.507 -0.925 -1.961 1.00 0.00 H new ATOM 0 HD3 PRO A2037 -1.954 -0.880 -3.655 1.00 0.00 H new ATOM 165 N VAL A2038 -1.655 4.279 -2.204 1.00 0.00 N ATOM 166 CA VAL A2038 -1.452 5.341 -1.258 1.00 0.00 C ATOM 167 C VAL A2038 -2.490 6.410 -1.474 1.00 0.00 C ATOM 168 O VAL A2038 -2.869 6.696 -2.619 1.00 0.00 O ATOM 169 CB VAL A2038 -0.020 5.939 -1.342 1.00 0.00 C ATOM 170 CG1 VAL A2038 1.004 4.946 -0.818 1.00 0.00 C ATOM 171 CG2 VAL A2038 0.323 6.323 -2.777 1.00 0.00 C ATOM 0 H VAL A2038 -1.472 4.543 -3.172 1.00 0.00 H new ATOM 0 HA VAL A2038 -1.558 4.925 -0.256 1.00 0.00 H new ATOM 0 HB VAL A2038 0.006 6.836 -0.723 1.00 0.00 H new ATOM 0 HG11 VAL A2038 2.001 5.382 -0.885 1.00 0.00 H new ATOM 0 HG12 VAL A2038 0.781 4.708 0.222 1.00 0.00 H new ATOM 0 HG13 VAL A2038 0.966 4.035 -1.415 1.00 0.00 H new ATOM 0 HG21 VAL A2038 1.330 6.739 -2.812 1.00 0.00 H new ATOM 0 HG22 VAL A2038 0.274 5.438 -3.412 1.00 0.00 H new ATOM 0 HG23 VAL A2038 -0.389 7.066 -3.135 1.00 0.00 H new ATOM 181 N ILE A2039 -2.962 6.979 -0.412 1.00 0.00 N ATOM 182 CA ILE A2039 -3.987 7.969 -0.507 1.00 0.00 C ATOM 183 C ILE A2039 -3.592 9.249 0.205 1.00 0.00 C ATOM 184 O ILE A2039 -2.979 9.224 1.282 1.00 0.00 O ATOM 185 CB ILE A2039 -5.365 7.444 0.011 1.00 0.00 C ATOM 186 CG1 ILE A2039 -6.448 8.537 -0.115 1.00 0.00 C ATOM 187 CG2 ILE A2039 -5.253 6.923 1.446 1.00 0.00 C ATOM 188 CD1 ILE A2039 -7.840 8.100 0.265 1.00 0.00 C ATOM 0 H ILE A2039 -2.652 6.774 0.538 1.00 0.00 H new ATOM 0 HA ILE A2039 -4.105 8.195 -1.567 1.00 0.00 H new ATOM 0 HB ILE A2039 -5.667 6.604 -0.615 1.00 0.00 H new ATOM 0 HG12 ILE A2039 -6.165 9.382 0.512 1.00 0.00 H new ATOM 0 HG13 ILE A2039 -6.464 8.895 -1.144 1.00 0.00 H new ATOM 0 HG21 ILE A2039 -6.227 6.564 1.780 1.00 0.00 H new ATOM 0 HG22 ILE A2039 -4.533 6.105 1.481 1.00 0.00 H new ATOM 0 HG23 ILE A2039 -4.919 7.728 2.100 1.00 0.00 H new ATOM 0 HD11 ILE A2039 -8.529 8.935 0.144 1.00 0.00 H new ATOM 0 HD12 ILE A2039 -8.151 7.277 -0.378 1.00 0.00 H new ATOM 0 HD13 ILE A2039 -7.847 7.772 1.304 1.00 0.00 H new ATOM 200 N ASN A2040 -3.891 10.345 -0.442 1.00 0.00 N ATOM 201 CA ASN A2040 -3.678 11.664 0.089 1.00 0.00 C ATOM 202 C ASN A2040 -4.688 11.879 1.190 1.00 0.00 C ATOM 203 O ASN A2040 -5.877 11.927 0.935 1.00 0.00 O ATOM 204 CB ASN A2040 -3.872 12.704 -1.037 1.00 0.00 C ATOM 205 CG ASN A2040 -3.567 14.135 -0.634 1.00 0.00 C ATOM 206 OD1 ASN A2040 -3.778 14.548 0.499 1.00 0.00 O ATOM 207 ND2 ASN A2040 -3.093 14.904 -1.566 1.00 0.00 N ATOM 0 H ASN A2040 -4.300 10.344 -1.377 1.00 0.00 H new ATOM 0 HA ASN A2040 -2.668 11.773 0.484 1.00 0.00 H new ATOM 0 HB2 ASN A2040 -3.233 12.433 -1.878 1.00 0.00 H new ATOM 0 HB3 ASN A2040 -4.902 12.651 -1.389 1.00 0.00 H new ATOM 0 HD21 ASN A2040 -2.886 15.882 -1.364 1.00 0.00 H new ATOM 0 HD22 ASN A2040 -2.928 14.530 -2.501 1.00 0.00 H new ATOM 214 N LYS A2041 -4.217 11.990 2.399 1.00 0.00 N ATOM 215 CA LYS A2041 -5.087 12.112 3.561 1.00 0.00 C ATOM 216 C LYS A2041 -5.735 13.486 3.679 1.00 0.00 C ATOM 217 O LYS A2041 -6.719 13.660 4.407 1.00 0.00 O ATOM 218 CB LYS A2041 -4.352 11.711 4.842 1.00 0.00 C ATOM 219 CG LYS A2041 -3.955 10.228 4.884 1.00 0.00 C ATOM 220 CD LYS A2041 -5.176 9.298 4.813 1.00 0.00 C ATOM 221 CE LYS A2041 -6.109 9.492 6.004 1.00 0.00 C ATOM 222 NZ LYS A2041 -7.347 8.697 5.883 1.00 0.00 N ATOM 0 H LYS A2041 -3.221 12.000 2.620 1.00 0.00 H new ATOM 0 HA LYS A2041 -5.909 11.411 3.414 1.00 0.00 H new ATOM 0 HB2 LYS A2041 -3.455 12.322 4.943 1.00 0.00 H new ATOM 0 HB3 LYS A2041 -4.987 11.933 5.700 1.00 0.00 H new ATOM 0 HG2 LYS A2041 -3.285 10.009 4.052 1.00 0.00 H new ATOM 0 HG3 LYS A2041 -3.401 10.028 5.801 1.00 0.00 H new ATOM 0 HD2 LYS A2041 -5.723 9.487 3.889 1.00 0.00 H new ATOM 0 HD3 LYS A2041 -4.841 8.261 4.779 1.00 0.00 H new ATOM 0 HE2 LYS A2041 -5.588 9.212 6.920 1.00 0.00 H new ATOM 0 HE3 LYS A2041 -6.365 10.548 6.093 1.00 0.00 H new ATOM 0 HZ1 LYS A2041 -7.948 8.862 6.715 1.00 0.00 H new ATOM 0 HZ2 LYS A2041 -7.859 8.981 5.024 1.00 0.00 H new ATOM 0 HZ3 LYS A2041 -7.107 7.687 5.825 1.00 0.00 H new ATOM 236 N VAL A2042 -5.212 14.439 2.956 1.00 0.00 N ATOM 237 CA VAL A2042 -5.747 15.779 2.961 1.00 0.00 C ATOM 238 C VAL A2042 -6.887 15.857 1.944 1.00 0.00 C ATOM 239 O VAL A2042 -8.038 16.185 2.289 1.00 0.00 O ATOM 240 CB VAL A2042 -4.650 16.825 2.603 1.00 0.00 C ATOM 241 CG1 VAL A2042 -5.192 18.248 2.664 1.00 0.00 C ATOM 242 CG2 VAL A2042 -3.441 16.671 3.520 1.00 0.00 C ATOM 0 H VAL A2042 -4.404 14.312 2.347 1.00 0.00 H new ATOM 0 HA VAL A2042 -6.114 16.009 3.961 1.00 0.00 H new ATOM 0 HB VAL A2042 -4.335 16.635 1.577 1.00 0.00 H new ATOM 0 HG11 VAL A2042 -4.399 18.951 2.408 1.00 0.00 H new ATOM 0 HG12 VAL A2042 -6.014 18.355 1.956 1.00 0.00 H new ATOM 0 HG13 VAL A2042 -5.552 18.458 3.671 1.00 0.00 H new ATOM 0 HG21 VAL A2042 -2.686 17.411 3.254 1.00 0.00 H new ATOM 0 HG22 VAL A2042 -3.748 16.822 4.555 1.00 0.00 H new ATOM 0 HG23 VAL A2042 -3.024 15.670 3.407 1.00 0.00 H new ATOM 252 N ASP A2043 -6.578 15.513 0.712 1.00 0.00 N ATOM 253 CA ASP A2043 -7.556 15.571 -0.375 1.00 0.00 C ATOM 254 C ASP A2043 -8.403 14.317 -0.469 1.00 0.00 C ATOM 255 O ASP A2043 -9.622 14.366 -0.315 1.00 0.00 O ATOM 256 CB ASP A2043 -6.880 15.825 -1.721 1.00 0.00 C ATOM 257 CG ASP A2043 -7.853 15.658 -2.882 1.00 0.00 C ATOM 258 OD1 ASP A2043 -8.626 16.585 -3.173 1.00 0.00 O ATOM 259 OD2 ASP A2043 -7.847 14.585 -3.519 1.00 0.00 O ATOM 0 H ASP A2043 -5.654 15.187 0.428 1.00 0.00 H new ATOM 0 HA ASP A2043 -8.214 16.406 -0.136 1.00 0.00 H new ATOM 0 HB2 ASP A2043 -6.466 16.833 -1.736 1.00 0.00 H new ATOM 0 HB3 ASP A2043 -6.045 15.136 -1.844 1.00 0.00 H new ATOM 264 N GLY A2044 -7.756 13.202 -0.669 1.00 0.00 N ATOM 265 CA GLY A2044 -8.459 11.971 -0.912 1.00 0.00 C ATOM 266 C GLY A2044 -7.961 11.283 -2.167 1.00 0.00 C ATOM 267 O GLY A2044 -8.453 10.216 -2.525 1.00 0.00 O ATOM 0 H GLY A2044 -6.739 13.120 -0.669 1.00 0.00 H new ATOM 0 HA2 GLY A2044 -8.335 11.306 -0.058 1.00 0.00 H new ATOM 0 HA3 GLY A2044 -9.526 12.173 -1.006 1.00 0.00 H new ATOM 271 N THR A2045 -7.014 11.923 -2.851 1.00 0.00 N ATOM 272 CA THR A2045 -6.382 11.370 -4.051 1.00 0.00 C ATOM 273 C THR A2045 -5.726 10.003 -3.755 1.00 0.00 C ATOM 274 O THR A2045 -4.748 9.925 -3.012 1.00 0.00 O ATOM 275 CB THR A2045 -5.289 12.343 -4.591 1.00 0.00 C ATOM 276 OG1 THR A2045 -5.844 13.652 -4.824 1.00 0.00 O ATOM 277 CG2 THR A2045 -4.685 11.821 -5.893 1.00 0.00 C ATOM 0 H THR A2045 -6.661 12.843 -2.589 1.00 0.00 H new ATOM 0 HA THR A2045 -7.163 11.239 -4.800 1.00 0.00 H new ATOM 0 HB THR A2045 -4.507 12.408 -3.834 1.00 0.00 H new ATOM 0 HG1 THR A2045 -6.569 13.818 -4.186 1.00 0.00 H new ATOM 0 HG21 THR A2045 -3.926 12.518 -6.247 1.00 0.00 H new ATOM 0 HG22 THR A2045 -4.229 10.847 -5.718 1.00 0.00 H new ATOM 0 HG23 THR A2045 -5.468 11.725 -6.645 1.00 0.00 H new ATOM 285 N LEU A2046 -6.296 8.955 -4.298 1.00 0.00 N ATOM 286 CA LEU A2046 -5.773 7.610 -4.150 1.00 0.00 C ATOM 287 C LEU A2046 -4.986 7.232 -5.400 1.00 0.00 C ATOM 288 O LEU A2046 -5.474 7.389 -6.530 1.00 0.00 O ATOM 289 CB LEU A2046 -6.926 6.612 -3.937 1.00 0.00 C ATOM 290 CG LEU A2046 -6.539 5.129 -3.798 1.00 0.00 C ATOM 291 CD1 LEU A2046 -5.742 4.874 -2.536 1.00 0.00 C ATOM 292 CD2 LEU A2046 -7.769 4.249 -3.837 1.00 0.00 C ATOM 0 H LEU A2046 -7.145 9.008 -4.862 1.00 0.00 H new ATOM 0 HA LEU A2046 -5.115 7.576 -3.281 1.00 0.00 H new ATOM 0 HB2 LEU A2046 -7.470 6.907 -3.040 1.00 0.00 H new ATOM 0 HB3 LEU A2046 -7.617 6.706 -4.775 1.00 0.00 H new ATOM 0 HG LEU A2046 -5.903 4.876 -4.646 1.00 0.00 H new ATOM 0 HD11 LEU A2046 -5.488 3.816 -2.474 1.00 0.00 H new ATOM 0 HD12 LEU A2046 -4.827 5.466 -2.557 1.00 0.00 H new ATOM 0 HD13 LEU A2046 -6.337 5.156 -1.667 1.00 0.00 H new ATOM 0 HD21 LEU A2046 -7.473 3.205 -3.737 1.00 0.00 H new ATOM 0 HD22 LEU A2046 -8.435 4.517 -3.017 1.00 0.00 H new ATOM 0 HD23 LEU A2046 -8.287 4.390 -4.785 1.00 0.00 H new ATOM 304 N LEU A2047 -3.784 6.769 -5.213 1.00 0.00 N ATOM 305 CA LEU A2047 -2.950 6.349 -6.314 1.00 0.00 C ATOM 306 C LEU A2047 -2.970 4.838 -6.371 1.00 0.00 C ATOM 307 O LEU A2047 -2.760 4.177 -5.349 1.00 0.00 O ATOM 308 CB LEU A2047 -1.510 6.844 -6.133 1.00 0.00 C ATOM 309 CG LEU A2047 -1.322 8.346 -5.856 1.00 0.00 C ATOM 310 CD1 LEU A2047 0.150 8.690 -5.741 1.00 0.00 C ATOM 311 CD2 LEU A2047 -1.980 9.202 -6.924 1.00 0.00 C ATOM 0 H LEU A2047 -3.350 6.670 -4.295 1.00 0.00 H new ATOM 0 HA LEU A2047 -3.333 6.773 -7.242 1.00 0.00 H new ATOM 0 HB2 LEU A2047 -1.061 6.288 -5.310 1.00 0.00 H new ATOM 0 HB3 LEU A2047 -0.948 6.592 -7.032 1.00 0.00 H new ATOM 0 HG LEU A2047 -1.811 8.564 -4.906 1.00 0.00 H new ATOM 0 HD11 LEU A2047 0.260 9.757 -5.545 1.00 0.00 H new ATOM 0 HD12 LEU A2047 0.593 8.123 -4.922 1.00 0.00 H new ATOM 0 HD13 LEU A2047 0.656 8.438 -6.673 1.00 0.00 H new ATOM 0 HD21 LEU A2047 -1.825 10.256 -6.692 1.00 0.00 H new ATOM 0 HD22 LEU A2047 -1.539 8.975 -7.895 1.00 0.00 H new ATOM 0 HD23 LEU A2047 -3.049 8.990 -6.952 1.00 0.00 H new ATOM 323 N VAL A2048 -3.249 4.299 -7.537 1.00 0.00 N ATOM 324 CA VAL A2048 -3.337 2.856 -7.734 1.00 0.00 C ATOM 325 C VAL A2048 -2.657 2.480 -9.028 1.00 0.00 C ATOM 326 O VAL A2048 -2.426 3.350 -9.883 1.00 0.00 O ATOM 327 CB VAL A2048 -4.817 2.343 -7.779 1.00 0.00 C ATOM 328 CG1 VAL A2048 -5.504 2.492 -6.433 1.00 0.00 C ATOM 329 CG2 VAL A2048 -5.614 3.071 -8.858 1.00 0.00 C ATOM 0 H VAL A2048 -3.423 4.844 -8.382 1.00 0.00 H new ATOM 0 HA VAL A2048 -2.845 2.388 -6.882 1.00 0.00 H new ATOM 0 HB VAL A2048 -4.782 1.281 -8.024 1.00 0.00 H new ATOM 0 HG11 VAL A2048 -6.528 2.126 -6.505 1.00 0.00 H new ATOM 0 HG12 VAL A2048 -4.964 1.915 -5.683 1.00 0.00 H new ATOM 0 HG13 VAL A2048 -5.514 3.543 -6.144 1.00 0.00 H new ATOM 0 HG21 VAL A2048 -6.638 2.697 -8.869 1.00 0.00 H new ATOM 0 HG22 VAL A2048 -5.621 4.140 -8.646 1.00 0.00 H new ATOM 0 HG23 VAL A2048 -5.154 2.897 -9.830 1.00 0.00 H new ATOM 339 N GLY A2049 -2.325 1.218 -9.166 1.00 0.00 N ATOM 340 CA GLY A2049 -1.723 0.727 -10.376 1.00 0.00 C ATOM 341 C GLY A2049 -0.353 1.306 -10.597 1.00 0.00 C ATOM 342 O GLY A2049 0.480 1.284 -9.712 1.00 0.00 O ATOM 0 H GLY A2049 -2.465 0.509 -8.446 1.00 0.00 H new ATOM 0 HA2 GLY A2049 -1.655 -0.360 -10.332 1.00 0.00 H new ATOM 0 HA3 GLY A2049 -2.362 0.972 -11.224 1.00 0.00 H new ATOM 346 N GLU A2050 -0.150 1.894 -11.746 1.00 0.00 N ATOM 347 CA GLU A2050 1.140 2.459 -12.117 1.00 0.00 C ATOM 348 C GLU A2050 1.262 3.880 -11.627 1.00 0.00 C ATOM 349 O GLU A2050 2.301 4.533 -11.778 1.00 0.00 O ATOM 350 CB GLU A2050 1.311 2.390 -13.619 1.00 0.00 C ATOM 351 CG GLU A2050 1.232 0.982 -14.165 1.00 0.00 C ATOM 352 CD GLU A2050 1.149 0.965 -15.652 1.00 0.00 C ATOM 353 OE1 GLU A2050 0.046 1.198 -16.201 1.00 0.00 O ATOM 354 OE2 GLU A2050 2.174 0.759 -16.312 1.00 0.00 O ATOM 0 H GLU A2050 -0.871 2.000 -12.460 1.00 0.00 H new ATOM 0 HA GLU A2050 1.931 1.877 -11.645 1.00 0.00 H new ATOM 0 HB2 GLU A2050 0.543 3.000 -14.094 1.00 0.00 H new ATOM 0 HB3 GLU A2050 2.274 2.824 -13.889 1.00 0.00 H new ATOM 0 HG2 GLU A2050 2.108 0.419 -13.844 1.00 0.00 H new ATOM 0 HG3 GLU A2050 0.360 0.479 -13.747 1.00 0.00 H new ATOM 361 N ASP A2051 0.210 4.355 -11.033 1.00 0.00 N ATOM 362 CA ASP A2051 0.183 5.688 -10.487 1.00 0.00 C ATOM 363 C ASP A2051 0.617 5.634 -9.036 1.00 0.00 C ATOM 364 O ASP A2051 0.894 6.644 -8.406 1.00 0.00 O ATOM 365 CB ASP A2051 -1.205 6.254 -10.631 1.00 0.00 C ATOM 366 CG ASP A2051 -1.289 7.740 -10.354 1.00 0.00 C ATOM 367 OD1 ASP A2051 -0.312 8.479 -10.615 1.00 0.00 O ATOM 368 OD2 ASP A2051 -2.370 8.213 -9.965 1.00 0.00 O ATOM 0 H ASP A2051 -0.658 3.833 -10.910 1.00 0.00 H new ATOM 0 HA ASP A2051 0.871 6.340 -11.025 1.00 0.00 H new ATOM 0 HB2 ASP A2051 -1.563 6.061 -11.642 1.00 0.00 H new ATOM 0 HB3 ASP A2051 -1.874 5.728 -9.950 1.00 0.00 H new ATOM 373 N ALA A2052 0.694 4.439 -8.527 1.00 0.00 N ATOM 374 CA ALA A2052 1.167 4.209 -7.200 1.00 0.00 C ATOM 375 C ALA A2052 2.608 3.719 -7.315 1.00 0.00 C ATOM 376 O ALA A2052 2.986 3.170 -8.358 1.00 0.00 O ATOM 377 CB ALA A2052 0.285 3.179 -6.508 1.00 0.00 C ATOM 0 H ALA A2052 0.427 3.592 -9.028 1.00 0.00 H new ATOM 0 HA ALA A2052 1.131 5.119 -6.601 1.00 0.00 H new ATOM 0 HB1 ALA A2052 0.651 3.008 -5.496 1.00 0.00 H new ATOM 0 HB2 ALA A2052 -0.740 3.547 -6.466 1.00 0.00 H new ATOM 0 HB3 ALA A2052 0.311 2.243 -7.066 1.00 0.00 H new ATOM 383 N PRO A2053 3.458 3.954 -6.314 1.00 0.00 N ATOM 384 CA PRO A2053 4.836 3.489 -6.349 1.00 0.00 C ATOM 385 C PRO A2053 4.960 2.015 -5.934 1.00 0.00 C ATOM 386 O PRO A2053 4.234 1.541 -5.032 1.00 0.00 O ATOM 387 CB PRO A2053 5.554 4.396 -5.326 1.00 0.00 C ATOM 388 CG PRO A2053 4.512 5.364 -4.840 1.00 0.00 C ATOM 389 CD PRO A2053 3.189 4.708 -5.090 1.00 0.00 C ATOM 0 HA PRO A2053 5.257 3.544 -7.353 1.00 0.00 H new ATOM 0 HB2 PRO A2053 5.960 3.811 -4.501 1.00 0.00 H new ATOM 0 HB3 PRO A2053 6.391 4.920 -5.787 1.00 0.00 H new ATOM 0 HG2 PRO A2053 4.646 5.581 -3.780 1.00 0.00 H new ATOM 0 HG3 PRO A2053 4.583 6.313 -5.371 1.00 0.00 H new ATOM 0 HD2 PRO A2053 2.892 4.059 -4.266 1.00 0.00 H new ATOM 0 HD3 PRO A2053 2.390 5.437 -5.226 1.00 0.00 H new ATOM 397 N ARG A2054 5.864 1.288 -6.602 1.00 0.00 N ATOM 398 CA ARG A2054 6.159 -0.112 -6.275 1.00 0.00 C ATOM 399 C ARG A2054 6.622 -0.171 -4.864 1.00 0.00 C ATOM 400 O ARG A2054 7.368 0.683 -4.462 1.00 0.00 O ATOM 401 CB ARG A2054 7.303 -0.611 -7.118 1.00 0.00 C ATOM 402 CG ARG A2054 7.025 -0.751 -8.578 1.00 0.00 C ATOM 403 CD ARG A2054 8.329 -0.908 -9.309 1.00 0.00 C ATOM 404 NE ARG A2054 9.078 0.345 -9.332 1.00 0.00 N ATOM 405 CZ ARG A2054 10.334 0.495 -9.749 1.00 0.00 C ATOM 406 NH1 ARG A2054 11.016 -0.546 -10.226 1.00 0.00 N ATOM 407 NH2 ARG A2054 10.900 1.698 -9.679 1.00 0.00 N ATOM 0 H ARG A2054 6.410 1.653 -7.382 1.00 0.00 H new ATOM 0 HA ARG A2054 5.265 -0.711 -6.447 1.00 0.00 H new ATOM 0 HB2 ARG A2054 8.145 0.069 -6.992 1.00 0.00 H new ATOM 0 HB3 ARG A2054 7.616 -1.581 -6.733 1.00 0.00 H new ATOM 0 HG2 ARG A2054 6.385 -1.615 -8.759 1.00 0.00 H new ATOM 0 HG3 ARG A2054 6.490 0.125 -8.946 1.00 0.00 H new ATOM 0 HD2 ARG A2054 8.927 -1.683 -8.829 1.00 0.00 H new ATOM 0 HD3 ARG A2054 8.139 -1.239 -10.330 1.00 0.00 H new ATOM 0 HE ARG A2054 8.596 1.180 -8.999 1.00 0.00 H new ATOM 0 HH11 ARG A2054 10.576 -1.465 -10.274 1.00 0.00 H new ATOM 0 HH12 ARG A2054 11.978 -0.423 -10.544 1.00 0.00 H new ATOM 0 HH21 ARG A2054 10.372 2.489 -9.310 1.00 0.00 H new ATOM 0 HH22 ARG A2054 11.861 1.829 -9.995 1.00 0.00 H new ATOM 421 N ARG A2055 6.236 -1.188 -4.133 1.00 0.00 N ATOM 422 CA ARG A2055 6.611 -1.336 -2.722 1.00 0.00 C ATOM 423 C ARG A2055 8.141 -1.196 -2.502 1.00 0.00 C ATOM 424 O ARG A2055 8.583 -0.632 -1.489 1.00 0.00 O ATOM 425 CB ARG A2055 6.061 -2.655 -2.153 1.00 0.00 C ATOM 426 CG ARG A2055 6.369 -2.890 -0.667 1.00 0.00 C ATOM 427 CD ARG A2055 6.015 -1.668 0.176 1.00 0.00 C ATOM 428 NE ARG A2055 6.178 -1.877 1.622 1.00 0.00 N ATOM 429 CZ ARG A2055 7.075 -1.244 2.401 1.00 0.00 C ATOM 430 NH1 ARG A2055 8.141 -0.642 1.875 1.00 0.00 N ATOM 431 NH2 ARG A2055 6.943 -1.286 3.714 1.00 0.00 N ATOM 0 H ARG A2055 5.652 -1.945 -4.487 1.00 0.00 H new ATOM 0 HA ARG A2055 6.153 -0.516 -2.169 1.00 0.00 H new ATOM 0 HB2 ARG A2055 4.980 -2.673 -2.293 1.00 0.00 H new ATOM 0 HB3 ARG A2055 6.471 -3.483 -2.731 1.00 0.00 H new ATOM 0 HG2 ARG A2055 5.809 -3.754 -0.310 1.00 0.00 H new ATOM 0 HG3 ARG A2055 7.427 -3.123 -0.546 1.00 0.00 H new ATOM 0 HD2 ARG A2055 6.641 -0.831 -0.133 1.00 0.00 H new ATOM 0 HD3 ARG A2055 4.982 -1.385 -0.027 1.00 0.00 H new ATOM 0 HE ARG A2055 5.563 -2.556 2.071 1.00 0.00 H new ATOM 0 HH11 ARG A2055 8.288 -0.656 0.866 1.00 0.00 H new ATOM 0 HH12 ARG A2055 8.810 -0.167 2.482 1.00 0.00 H new ATOM 0 HH21 ARG A2055 6.165 -1.796 4.132 1.00 0.00 H new ATOM 0 HH22 ARG A2055 7.619 -0.809 4.310 1.00 0.00 H new ATOM 445 N ALA A2056 8.910 -1.649 -3.479 1.00 0.00 N ATOM 446 CA ALA A2056 10.359 -1.546 -3.463 1.00 0.00 C ATOM 447 C ALA A2056 10.840 -0.081 -3.437 1.00 0.00 C ATOM 448 O ALA A2056 11.808 0.242 -2.747 1.00 0.00 O ATOM 449 CB ALA A2056 10.948 -2.254 -4.670 1.00 0.00 C ATOM 0 H ALA A2056 8.541 -2.103 -4.314 1.00 0.00 H new ATOM 0 HA ALA A2056 10.704 -2.025 -2.547 1.00 0.00 H new ATOM 0 HB1 ALA A2056 12.034 -2.170 -4.647 1.00 0.00 H new ATOM 0 HB2 ALA A2056 10.665 -3.306 -4.648 1.00 0.00 H new ATOM 0 HB3 ALA A2056 10.568 -1.795 -5.583 1.00 0.00 H new ATOM 455 N GLU A2057 10.177 0.793 -4.198 1.00 0.00 N ATOM 456 CA GLU A2057 10.561 2.226 -4.263 1.00 0.00 C ATOM 457 C GLU A2057 9.699 3.076 -3.296 1.00 0.00 C ATOM 458 O GLU A2057 10.079 4.174 -2.885 1.00 0.00 O ATOM 459 CB GLU A2057 10.388 2.738 -5.705 1.00 0.00 C ATOM 460 CG GLU A2057 8.934 2.848 -6.151 1.00 0.00 C ATOM 461 CD GLU A2057 8.762 3.104 -7.618 1.00 0.00 C ATOM 462 OE1 GLU A2057 9.498 3.927 -8.193 1.00 0.00 O ATOM 463 OE2 GLU A2057 7.882 2.470 -8.232 1.00 0.00 O ATOM 0 H GLU A2057 9.375 0.547 -4.778 1.00 0.00 H new ATOM 0 HA GLU A2057 11.604 2.320 -3.961 1.00 0.00 H new ATOM 0 HB2 GLU A2057 10.859 3.717 -5.792 1.00 0.00 H new ATOM 0 HB3 GLU A2057 10.916 2.069 -6.384 1.00 0.00 H new ATOM 0 HG2 GLU A2057 8.414 1.926 -5.891 1.00 0.00 H new ATOM 0 HG3 GLU A2057 8.454 3.653 -5.594 1.00 0.00 H new ATOM 470 N LEU A2058 8.551 2.522 -2.948 1.00 0.00 N ATOM 471 CA LEU A2058 7.518 3.131 -2.105 1.00 0.00 C ATOM 472 C LEU A2058 8.063 3.592 -0.762 1.00 0.00 C ATOM 473 O LEU A2058 7.627 4.621 -0.236 1.00 0.00 O ATOM 474 CB LEU A2058 6.362 2.088 -1.962 1.00 0.00 C ATOM 475 CG LEU A2058 5.108 2.381 -1.108 1.00 0.00 C ATOM 476 CD1 LEU A2058 5.372 2.203 0.374 1.00 0.00 C ATOM 477 CD2 LEU A2058 4.545 3.762 -1.406 1.00 0.00 C ATOM 0 H LEU A2058 8.293 1.585 -3.259 1.00 0.00 H new ATOM 0 HA LEU A2058 7.140 4.041 -2.571 1.00 0.00 H new ATOM 0 HB2 LEU A2058 6.013 1.863 -2.970 1.00 0.00 H new ATOM 0 HB3 LEU A2058 6.807 1.175 -1.567 1.00 0.00 H new ATOM 0 HG LEU A2058 4.354 1.645 -1.388 1.00 0.00 H new ATOM 0 HD11 LEU A2058 4.462 2.420 0.934 1.00 0.00 H new ATOM 0 HD12 LEU A2058 5.681 1.176 0.568 1.00 0.00 H new ATOM 0 HD13 LEU A2058 6.162 2.885 0.687 1.00 0.00 H new ATOM 0 HD21 LEU A2058 3.664 3.937 -0.789 1.00 0.00 H new ATOM 0 HD22 LEU A2058 5.299 4.518 -1.185 1.00 0.00 H new ATOM 0 HD23 LEU A2058 4.269 3.823 -2.459 1.00 0.00 H new ATOM 489 N GLU A2059 9.025 2.853 -0.228 1.00 0.00 N ATOM 490 CA GLU A2059 9.585 3.149 1.074 1.00 0.00 C ATOM 491 C GLU A2059 10.192 4.546 1.074 1.00 0.00 C ATOM 492 O GLU A2059 9.888 5.355 1.940 1.00 0.00 O ATOM 493 CB GLU A2059 10.647 2.129 1.436 1.00 0.00 C ATOM 494 CG GLU A2059 11.057 2.175 2.883 1.00 0.00 C ATOM 495 CD GLU A2059 9.939 1.734 3.786 1.00 0.00 C ATOM 496 OE1 GLU A2059 9.687 0.507 3.849 1.00 0.00 O ATOM 497 OE2 GLU A2059 9.291 2.579 4.431 1.00 0.00 O ATOM 0 H GLU A2059 9.434 2.038 -0.685 1.00 0.00 H new ATOM 0 HA GLU A2059 8.787 3.104 1.815 1.00 0.00 H new ATOM 0 HB2 GLU A2059 10.275 1.131 1.204 1.00 0.00 H new ATOM 0 HB3 GLU A2059 11.526 2.295 0.812 1.00 0.00 H new ATOM 0 HG2 GLU A2059 11.925 1.534 3.037 1.00 0.00 H new ATOM 0 HG3 GLU A2059 11.359 3.189 3.145 1.00 0.00 H new ATOM 504 N MET A2060 11.014 4.822 0.065 1.00 0.00 N ATOM 505 CA MET A2060 11.652 6.135 -0.110 1.00 0.00 C ATOM 506 C MET A2060 10.639 7.254 -0.129 1.00 0.00 C ATOM 507 O MET A2060 10.801 8.265 0.561 1.00 0.00 O ATOM 508 CB MET A2060 12.458 6.184 -1.407 1.00 0.00 C ATOM 509 CG MET A2060 13.783 5.478 -1.348 1.00 0.00 C ATOM 510 SD MET A2060 14.907 6.258 -0.189 1.00 0.00 S ATOM 511 CE MET A2060 16.334 5.217 -0.404 1.00 0.00 C ATOM 0 H MET A2060 11.260 4.145 -0.657 1.00 0.00 H new ATOM 0 HA MET A2060 12.316 6.273 0.744 1.00 0.00 H new ATOM 0 HB2 MET A2060 11.862 5.744 -2.206 1.00 0.00 H new ATOM 0 HB3 MET A2060 12.629 7.227 -1.674 1.00 0.00 H new ATOM 0 HG2 MET A2060 13.628 4.439 -1.059 1.00 0.00 H new ATOM 0 HG3 MET A2060 14.234 5.469 -2.340 1.00 0.00 H new ATOM 0 HE1 MET A2060 17.137 5.561 0.247 1.00 0.00 H new ATOM 0 HE2 MET A2060 16.076 4.189 -0.150 1.00 0.00 H new ATOM 0 HE3 MET A2060 16.664 5.262 -1.442 1.00 0.00 H new ATOM 521 N TRP A2061 9.587 7.051 -0.875 1.00 0.00 N ATOM 522 CA TRP A2061 8.564 8.046 -1.050 1.00 0.00 C ATOM 523 C TRP A2061 7.814 8.281 0.278 1.00 0.00 C ATOM 524 O TRP A2061 7.582 9.428 0.690 1.00 0.00 O ATOM 525 CB TRP A2061 7.633 7.589 -2.165 1.00 0.00 C ATOM 526 CG TRP A2061 6.716 8.641 -2.671 1.00 0.00 C ATOM 527 CD1 TRP A2061 7.054 9.709 -3.446 1.00 0.00 C ATOM 528 CD2 TRP A2061 5.315 8.715 -2.471 1.00 0.00 C ATOM 529 NE1 TRP A2061 5.942 10.453 -3.731 1.00 0.00 N ATOM 530 CE2 TRP A2061 4.860 9.862 -3.151 1.00 0.00 C ATOM 531 CE3 TRP A2061 4.400 7.929 -1.785 1.00 0.00 C ATOM 532 CZ2 TRP A2061 3.530 10.234 -3.163 1.00 0.00 C ATOM 533 CZ3 TRP A2061 3.083 8.299 -1.799 1.00 0.00 C ATOM 534 CH2 TRP A2061 2.660 9.443 -2.484 1.00 0.00 C ATOM 0 H TRP A2061 9.414 6.183 -1.383 1.00 0.00 H new ATOM 0 HA TRP A2061 9.003 9.002 -1.335 1.00 0.00 H new ATOM 0 HB2 TRP A2061 8.235 7.219 -2.995 1.00 0.00 H new ATOM 0 HB3 TRP A2061 7.039 6.750 -1.804 1.00 0.00 H new ATOM 0 HD1 TRP A2061 8.054 9.935 -3.786 1.00 0.00 H new ATOM 0 HE1 TRP A2061 5.926 11.309 -4.286 1.00 0.00 H new ATOM 0 HE3 TRP A2061 4.720 7.046 -1.252 1.00 0.00 H new ATOM 0 HZ2 TRP A2061 3.196 11.116 -3.690 1.00 0.00 H new ATOM 0 HZ3 TRP A2061 2.357 7.697 -1.272 1.00 0.00 H new ATOM 0 HH2 TRP A2061 1.612 9.704 -2.472 1.00 0.00 H new ATOM 545 N LEU A2062 7.476 7.203 0.965 1.00 0.00 N ATOM 546 CA LEU A2062 6.837 7.292 2.262 1.00 0.00 C ATOM 547 C LEU A2062 7.733 7.860 3.353 1.00 0.00 C ATOM 548 O LEU A2062 7.232 8.433 4.316 1.00 0.00 O ATOM 549 CB LEU A2062 6.091 6.041 2.692 1.00 0.00 C ATOM 550 CG LEU A2062 4.791 5.746 1.936 1.00 0.00 C ATOM 551 CD1 LEU A2062 4.097 4.562 2.549 1.00 0.00 C ATOM 552 CD2 LEU A2062 3.859 6.960 1.932 1.00 0.00 C ATOM 0 H LEU A2062 7.636 6.249 0.641 1.00 0.00 H new ATOM 0 HA LEU A2062 6.055 8.036 2.110 1.00 0.00 H new ATOM 0 HB2 LEU A2062 6.758 5.186 2.578 1.00 0.00 H new ATOM 0 HB3 LEU A2062 5.860 6.125 3.754 1.00 0.00 H new ATOM 0 HG LEU A2062 5.047 5.518 0.901 1.00 0.00 H new ATOM 0 HD11 LEU A2062 3.174 4.360 2.005 1.00 0.00 H new ATOM 0 HD12 LEU A2062 4.749 3.690 2.495 1.00 0.00 H new ATOM 0 HD13 LEU A2062 3.864 4.777 3.592 1.00 0.00 H new ATOM 0 HD21 LEU A2062 2.947 6.716 1.388 1.00 0.00 H new ATOM 0 HD22 LEU A2062 3.608 7.230 2.958 1.00 0.00 H new ATOM 0 HD23 LEU A2062 4.357 7.800 1.448 1.00 0.00 H new ATOM 564 N GLN A2063 9.047 7.643 3.259 1.00 0.00 N ATOM 565 CA GLN A2063 9.980 8.244 4.209 1.00 0.00 C ATOM 566 C GLN A2063 9.788 9.753 4.244 1.00 0.00 C ATOM 567 O GLN A2063 9.803 10.363 5.308 1.00 0.00 O ATOM 568 CB GLN A2063 11.440 7.932 3.854 1.00 0.00 C ATOM 569 CG GLN A2063 11.856 6.473 3.945 1.00 0.00 C ATOM 570 CD GLN A2063 11.720 5.894 5.335 1.00 0.00 C ATOM 571 OE1 GLN A2063 12.645 5.947 6.143 1.00 0.00 O ATOM 572 NE2 GLN A2063 10.598 5.324 5.613 1.00 0.00 N ATOM 0 H GLN A2063 9.483 7.062 2.543 1.00 0.00 H new ATOM 0 HA GLN A2063 9.767 7.814 5.188 1.00 0.00 H new ATOM 0 HB2 GLN A2063 11.627 8.279 2.838 1.00 0.00 H new ATOM 0 HB3 GLN A2063 12.085 8.514 4.513 1.00 0.00 H new ATOM 0 HG2 GLN A2063 11.250 5.887 3.255 1.00 0.00 H new ATOM 0 HG3 GLN A2063 12.892 6.378 3.620 1.00 0.00 H new ATOM 0 HE21 GLN A2063 9.852 5.299 4.917 1.00 0.00 H new ATOM 0 HE22 GLN A2063 10.456 4.898 6.529 1.00 0.00 H new ATOM 581 N GLY A2064 9.556 10.331 3.089 1.00 0.00 N ATOM 582 CA GLY A2064 9.311 11.741 3.027 1.00 0.00 C ATOM 583 C GLY A2064 7.883 12.074 3.406 1.00 0.00 C ATOM 584 O GLY A2064 7.636 13.106 4.030 1.00 0.00 O ATOM 0 H GLY A2064 9.533 9.847 2.191 1.00 0.00 H new ATOM 0 HA2 GLY A2064 9.997 12.260 3.697 1.00 0.00 H new ATOM 0 HA3 GLY A2064 9.515 12.103 2.019 1.00 0.00 H new ATOM 588 N HIS A2065 6.969 11.157 3.059 1.00 0.00 N ATOM 589 CA HIS A2065 5.499 11.286 3.258 1.00 0.00 C ATOM 590 C HIS A2065 4.947 12.705 3.029 1.00 0.00 C ATOM 591 O HIS A2065 4.821 13.505 3.959 1.00 0.00 O ATOM 592 CB HIS A2065 4.975 10.626 4.570 1.00 0.00 C ATOM 593 CG HIS A2065 5.567 11.131 5.864 1.00 0.00 C ATOM 594 ND1 HIS A2065 6.693 10.604 6.450 1.00 0.00 N ATOM 595 CD2 HIS A2065 5.147 12.120 6.687 1.00 0.00 C ATOM 596 CE1 HIS A2065 6.922 11.273 7.584 1.00 0.00 C ATOM 597 NE2 HIS A2065 6.009 12.210 7.774 1.00 0.00 N ATOM 0 H HIS A2065 7.229 10.275 2.618 1.00 0.00 H new ATOM 0 HA HIS A2065 5.076 10.690 2.449 1.00 0.00 H new ATOM 0 HB2 HIS A2065 3.895 10.764 4.613 1.00 0.00 H new ATOM 0 HB3 HIS A2065 5.157 9.553 4.508 1.00 0.00 H new ATOM 0 HD1 HIS A2065 7.256 9.836 6.083 1.00 0.00 H new ATOM 0 HD2 HIS A2065 4.279 12.742 6.525 1.00 0.00 H new ATOM 0 HE1 HIS A2065 7.744 11.075 8.256 1.00 0.00 H new ATOM 605 N PRO A2066 4.645 13.043 1.763 1.00 0.00 N ATOM 606 CA PRO A2066 4.142 14.369 1.412 1.00 0.00 C ATOM 607 C PRO A2066 2.827 14.692 2.113 1.00 0.00 C ATOM 608 O PRO A2066 2.738 15.639 2.904 1.00 0.00 O ATOM 609 CB PRO A2066 3.946 14.305 -0.110 1.00 0.00 C ATOM 610 CG PRO A2066 4.781 13.154 -0.562 1.00 0.00 C ATOM 611 CD PRO A2066 4.803 12.180 0.576 1.00 0.00 C ATOM 0 HA PRO A2066 4.830 15.155 1.722 1.00 0.00 H new ATOM 0 HB2 PRO A2066 2.897 14.156 -0.366 1.00 0.00 H new ATOM 0 HB3 PRO A2066 4.262 15.233 -0.587 1.00 0.00 H new ATOM 0 HG2 PRO A2066 4.361 12.696 -1.458 1.00 0.00 H new ATOM 0 HG3 PRO A2066 5.790 13.481 -0.814 1.00 0.00 H new ATOM 0 HD2 PRO A2066 3.996 11.451 0.498 1.00 0.00 H new ATOM 0 HD3 PRO A2066 5.737 11.619 0.608 1.00 0.00 H new ATOM 619 N GLU A2067 1.833 13.896 1.823 1.00 0.00 N ATOM 620 CA GLU A2067 0.491 14.049 2.379 1.00 0.00 C ATOM 621 C GLU A2067 -0.285 12.782 2.108 1.00 0.00 C ATOM 622 O GLU A2067 -1.509 12.750 2.102 1.00 0.00 O ATOM 623 CB GLU A2067 -0.184 15.298 1.779 1.00 0.00 C ATOM 624 CG GLU A2067 -0.128 15.392 0.262 1.00 0.00 C ATOM 625 CD GLU A2067 -0.439 16.783 -0.222 1.00 0.00 C ATOM 626 OE1 GLU A2067 0.415 17.678 -0.041 1.00 0.00 O ATOM 627 OE2 GLU A2067 -1.504 17.013 -0.818 1.00 0.00 O ATOM 0 H GLU A2067 1.922 13.106 1.184 1.00 0.00 H new ATOM 0 HA GLU A2067 0.528 14.200 3.458 1.00 0.00 H new ATOM 0 HB2 GLU A2067 -1.228 15.313 2.091 1.00 0.00 H new ATOM 0 HB3 GLU A2067 0.288 16.186 2.201 1.00 0.00 H new ATOM 0 HG2 GLU A2067 0.863 15.099 -0.084 1.00 0.00 H new ATOM 0 HG3 GLU A2067 -0.838 14.688 -0.173 1.00 0.00 H new ATOM 634 N PHE A2068 0.465 11.722 1.943 1.00 0.00 N ATOM 635 CA PHE A2068 -0.083 10.433 1.602 1.00 0.00 C ATOM 636 C PHE A2068 0.241 9.412 2.664 1.00 0.00 C ATOM 637 O PHE A2068 1.265 9.519 3.350 1.00 0.00 O ATOM 638 CB PHE A2068 0.471 9.943 0.263 1.00 0.00 C ATOM 639 CG PHE A2068 -0.009 10.682 -0.961 1.00 0.00 C ATOM 640 CD1 PHE A2068 0.437 11.964 -1.253 1.00 0.00 C ATOM 641 CD2 PHE A2068 -0.893 10.076 -1.833 1.00 0.00 C ATOM 642 CE1 PHE A2068 0.004 12.616 -2.388 1.00 0.00 C ATOM 643 CE2 PHE A2068 -1.320 10.722 -2.970 1.00 0.00 C ATOM 644 CZ PHE A2068 -0.874 11.990 -3.249 1.00 0.00 C ATOM 0 H PHE A2068 1.480 11.729 2.042 1.00 0.00 H new ATOM 0 HA PHE A2068 -1.164 10.549 1.528 1.00 0.00 H new ATOM 0 HB2 PHE A2068 1.559 10.006 0.298 1.00 0.00 H new ATOM 0 HB3 PHE A2068 0.216 8.889 0.150 1.00 0.00 H new ATOM 0 HD1 PHE A2068 1.129 12.455 -0.585 1.00 0.00 H new ATOM 0 HD2 PHE A2068 -1.254 9.081 -1.619 1.00 0.00 H new ATOM 0 HE1 PHE A2068 0.352 13.616 -2.603 1.00 0.00 H new ATOM 0 HE2 PHE A2068 -2.007 10.231 -3.644 1.00 0.00 H new ATOM 0 HZ PHE A2068 -1.210 12.497 -4.141 1.00 0.00 H new ATOM 654 N ALA A2069 -0.627 8.447 2.793 1.00 0.00 N ATOM 655 CA ALA A2069 -0.458 7.325 3.687 1.00 0.00 C ATOM 656 C ALA A2069 -0.977 6.094 2.969 1.00 0.00 C ATOM 657 O ALA A2069 -1.562 6.224 1.885 1.00 0.00 O ATOM 658 CB ALA A2069 -1.223 7.549 4.987 1.00 0.00 C ATOM 0 H ALA A2069 -1.499 8.415 2.265 1.00 0.00 H new ATOM 0 HA ALA A2069 0.593 7.203 3.949 1.00 0.00 H new ATOM 0 HB1 ALA A2069 -1.081 6.692 5.645 1.00 0.00 H new ATOM 0 HB2 ALA A2069 -0.851 8.448 5.478 1.00 0.00 H new ATOM 0 HB3 ALA A2069 -2.284 7.667 4.769 1.00 0.00 H new ATOM 664 N VAL A2070 -0.765 4.925 3.536 1.00 0.00 N ATOM 665 CA VAL A2070 -1.232 3.686 2.923 1.00 0.00 C ATOM 666 C VAL A2070 -2.760 3.593 3.022 1.00 0.00 C ATOM 667 O VAL A2070 -3.347 3.947 4.056 1.00 0.00 O ATOM 668 CB VAL A2070 -0.569 2.432 3.585 1.00 0.00 C ATOM 669 CG1 VAL A2070 -1.062 1.132 2.949 1.00 0.00 C ATOM 670 CG2 VAL A2070 0.950 2.515 3.488 1.00 0.00 C ATOM 0 H VAL A2070 -0.273 4.800 4.421 1.00 0.00 H new ATOM 0 HA VAL A2070 -0.940 3.701 1.873 1.00 0.00 H new ATOM 0 HB VAL A2070 -0.860 2.426 4.635 1.00 0.00 H new ATOM 0 HG11 VAL A2070 -0.580 0.284 3.435 1.00 0.00 H new ATOM 0 HG12 VAL A2070 -2.142 1.054 3.071 1.00 0.00 H new ATOM 0 HG13 VAL A2070 -0.816 1.130 1.887 1.00 0.00 H new ATOM 0 HG21 VAL A2070 1.393 1.635 3.954 1.00 0.00 H new ATOM 0 HG22 VAL A2070 1.246 2.559 2.440 1.00 0.00 H new ATOM 0 HG23 VAL A2070 1.299 3.411 4.001 1.00 0.00 H new ATOM 680 N ASP A2071 -3.385 3.168 1.933 1.00 0.00 N ATOM 681 CA ASP A2071 -4.834 2.982 1.847 1.00 0.00 C ATOM 682 C ASP A2071 -5.355 2.040 2.941 1.00 0.00 C ATOM 683 O ASP A2071 -4.944 0.867 3.015 1.00 0.00 O ATOM 684 CB ASP A2071 -5.215 2.444 0.458 1.00 0.00 C ATOM 685 CG ASP A2071 -6.663 2.013 0.345 1.00 0.00 C ATOM 686 OD1 ASP A2071 -7.569 2.846 0.457 1.00 0.00 O ATOM 687 OD2 ASP A2071 -6.910 0.817 0.142 1.00 0.00 O ATOM 0 H ASP A2071 -2.895 2.938 1.068 1.00 0.00 H new ATOM 0 HA ASP A2071 -5.302 3.954 2.000 1.00 0.00 H new ATOM 0 HB2 ASP A2071 -5.016 3.214 -0.287 1.00 0.00 H new ATOM 0 HB3 ASP A2071 -4.574 1.596 0.219 1.00 0.00 H new ATOM 692 N PRO A2072 -6.257 2.549 3.821 1.00 0.00 N ATOM 693 CA PRO A2072 -6.833 1.776 4.935 1.00 0.00 C ATOM 694 C PRO A2072 -7.554 0.518 4.470 1.00 0.00 C ATOM 695 O PRO A2072 -7.583 -0.487 5.170 1.00 0.00 O ATOM 696 CB PRO A2072 -7.833 2.744 5.576 1.00 0.00 C ATOM 697 CG PRO A2072 -7.343 4.087 5.193 1.00 0.00 C ATOM 698 CD PRO A2072 -6.765 3.934 3.817 1.00 0.00 C ATOM 0 HA PRO A2072 -6.056 1.427 5.615 1.00 0.00 H new ATOM 0 HB2 PRO A2072 -8.845 2.571 5.209 1.00 0.00 H new ATOM 0 HB3 PRO A2072 -7.862 2.626 6.659 1.00 0.00 H new ATOM 0 HG2 PRO A2072 -8.154 4.815 5.198 1.00 0.00 H new ATOM 0 HG3 PRO A2072 -6.590 4.444 5.896 1.00 0.00 H new ATOM 0 HD2 PRO A2072 -7.518 4.085 3.044 1.00 0.00 H new ATOM 0 HD3 PRO A2072 -5.969 4.655 3.631 1.00 0.00 H new ATOM 706 N ARG A2073 -8.112 0.572 3.287 1.00 0.00 N ATOM 707 CA ARG A2073 -8.825 -0.551 2.721 1.00 0.00 C ATOM 708 C ARG A2073 -7.839 -1.696 2.422 1.00 0.00 C ATOM 709 O ARG A2073 -8.104 -2.866 2.759 1.00 0.00 O ATOM 710 CB ARG A2073 -9.629 -0.055 1.485 1.00 0.00 C ATOM 711 CG ARG A2073 -10.386 -1.091 0.638 1.00 0.00 C ATOM 712 CD ARG A2073 -9.459 -1.919 -0.258 1.00 0.00 C ATOM 713 NE ARG A2073 -8.479 -1.076 -0.964 1.00 0.00 N ATOM 714 CZ ARG A2073 -8.033 -1.248 -2.198 1.00 0.00 C ATOM 715 NH1 ARG A2073 -8.485 -2.239 -2.957 1.00 0.00 N ATOM 716 NH2 ARG A2073 -7.128 -0.406 -2.675 1.00 0.00 N ATOM 0 H ARG A2073 -8.086 1.396 2.686 1.00 0.00 H new ATOM 0 HA ARG A2073 -9.549 -0.965 3.423 1.00 0.00 H new ATOM 0 HB2 ARG A2073 -10.354 0.681 1.834 1.00 0.00 H new ATOM 0 HB3 ARG A2073 -8.936 0.468 0.827 1.00 0.00 H new ATOM 0 HG2 ARG A2073 -10.938 -1.760 1.299 1.00 0.00 H new ATOM 0 HG3 ARG A2073 -11.121 -0.579 0.017 1.00 0.00 H new ATOM 0 HD2 ARG A2073 -8.933 -2.657 0.348 1.00 0.00 H new ATOM 0 HD3 ARG A2073 -10.055 -2.470 -0.986 1.00 0.00 H new ATOM 0 HE ARG A2073 -8.106 -0.278 -0.449 1.00 0.00 H new ATOM 0 HH11 ARG A2073 -9.187 -2.882 -2.591 1.00 0.00 H new ATOM 0 HH12 ARG A2073 -8.130 -2.357 -3.906 1.00 0.00 H new ATOM 0 HH21 ARG A2073 -6.787 0.359 -2.093 1.00 0.00 H new ATOM 0 HH22 ARG A2073 -6.773 -0.523 -3.624 1.00 0.00 H new ATOM 730 N PHE A2074 -6.713 -1.351 1.826 1.00 0.00 N ATOM 731 CA PHE A2074 -5.660 -2.310 1.520 1.00 0.00 C ATOM 732 C PHE A2074 -5.090 -2.929 2.803 1.00 0.00 C ATOM 733 O PHE A2074 -4.971 -4.153 2.916 1.00 0.00 O ATOM 734 CB PHE A2074 -4.544 -1.640 0.702 1.00 0.00 C ATOM 735 CG PHE A2074 -3.389 -2.545 0.389 1.00 0.00 C ATOM 736 CD1 PHE A2074 -3.481 -3.483 -0.627 1.00 0.00 C ATOM 737 CD2 PHE A2074 -2.210 -2.456 1.110 1.00 0.00 C ATOM 738 CE1 PHE A2074 -2.419 -4.316 -0.917 1.00 0.00 C ATOM 739 CE2 PHE A2074 -1.151 -3.284 0.825 1.00 0.00 C ATOM 740 CZ PHE A2074 -1.253 -4.218 -0.189 1.00 0.00 C ATOM 0 H PHE A2074 -6.499 -0.396 1.538 1.00 0.00 H new ATOM 0 HA PHE A2074 -6.095 -3.112 0.923 1.00 0.00 H new ATOM 0 HB2 PHE A2074 -4.965 -1.269 -0.232 1.00 0.00 H new ATOM 0 HB3 PHE A2074 -4.175 -0.774 1.251 1.00 0.00 H new ATOM 0 HD1 PHE A2074 -4.394 -3.563 -1.198 1.00 0.00 H new ATOM 0 HD2 PHE A2074 -2.122 -1.729 1.904 1.00 0.00 H new ATOM 0 HE1 PHE A2074 -2.502 -5.042 -1.712 1.00 0.00 H new ATOM 0 HE2 PHE A2074 -0.237 -3.205 1.395 1.00 0.00 H new ATOM 0 HZ PHE A2074 -0.421 -4.870 -0.410 1.00 0.00 H new ATOM 750 N LEU A2075 -4.765 -2.089 3.769 1.00 0.00 N ATOM 751 CA LEU A2075 -4.211 -2.570 5.017 1.00 0.00 C ATOM 752 C LEU A2075 -5.214 -3.347 5.871 1.00 0.00 C ATOM 753 O LEU A2075 -4.831 -4.124 6.732 1.00 0.00 O ATOM 754 CB LEU A2075 -3.417 -1.507 5.773 1.00 0.00 C ATOM 755 CG LEU A2075 -4.094 -0.197 6.100 1.00 0.00 C ATOM 756 CD1 LEU A2075 -4.968 -0.299 7.342 1.00 0.00 C ATOM 757 CD2 LEU A2075 -3.048 0.865 6.234 1.00 0.00 C ATOM 0 H LEU A2075 -4.875 -1.077 3.712 1.00 0.00 H new ATOM 0 HA LEU A2075 -3.466 -3.317 4.742 1.00 0.00 H new ATOM 0 HB2 LEU A2075 -3.081 -1.949 6.711 1.00 0.00 H new ATOM 0 HB3 LEU A2075 -2.525 -1.282 5.189 1.00 0.00 H new ATOM 0 HG LEU A2075 -4.770 0.068 5.287 1.00 0.00 H new ATOM 0 HD11 LEU A2075 -5.435 0.666 7.539 1.00 0.00 H new ATOM 0 HD12 LEU A2075 -5.742 -1.050 7.182 1.00 0.00 H new ATOM 0 HD13 LEU A2075 -4.355 -0.586 8.196 1.00 0.00 H new ATOM 0 HD21 LEU A2075 -3.524 1.817 6.470 1.00 0.00 H new ATOM 0 HD22 LEU A2075 -2.357 0.596 7.033 1.00 0.00 H new ATOM 0 HD23 LEU A2075 -2.500 0.956 5.296 1.00 0.00 H new ATOM 769 N ALA A2076 -6.490 -3.104 5.665 1.00 0.00 N ATOM 770 CA ALA A2076 -7.517 -3.893 6.318 1.00 0.00 C ATOM 771 C ALA A2076 -7.587 -5.278 5.672 1.00 0.00 C ATOM 772 O ALA A2076 -7.764 -6.292 6.353 1.00 0.00 O ATOM 773 CB ALA A2076 -8.872 -3.200 6.225 1.00 0.00 C ATOM 0 H ALA A2076 -6.843 -2.369 5.052 1.00 0.00 H new ATOM 0 HA ALA A2076 -7.261 -3.998 7.372 1.00 0.00 H new ATOM 0 HB1 ALA A2076 -9.627 -3.809 6.721 1.00 0.00 H new ATOM 0 HB2 ALA A2076 -8.816 -2.225 6.710 1.00 0.00 H new ATOM 0 HB3 ALA A2076 -9.143 -3.069 5.177 1.00 0.00 H new ATOM 779 N TYR A2077 -7.381 -5.311 4.354 1.00 0.00 N ATOM 780 CA TYR A2077 -7.481 -6.532 3.573 1.00 0.00 C ATOM 781 C TYR A2077 -6.464 -7.588 4.008 1.00 0.00 C ATOM 782 O TYR A2077 -6.781 -8.763 4.012 1.00 0.00 O ATOM 783 CB TYR A2077 -7.360 -6.246 2.064 1.00 0.00 C ATOM 784 CG TYR A2077 -7.501 -7.485 1.207 1.00 0.00 C ATOM 785 CD1 TYR A2077 -8.705 -8.161 1.133 1.00 0.00 C ATOM 786 CD2 TYR A2077 -6.428 -7.985 0.497 1.00 0.00 C ATOM 787 CE1 TYR A2077 -8.840 -9.303 0.378 1.00 0.00 C ATOM 788 CE2 TYR A2077 -6.550 -9.124 -0.268 1.00 0.00 C ATOM 789 CZ TYR A2077 -7.758 -9.783 -0.324 1.00 0.00 C ATOM 790 OH TYR A2077 -7.880 -10.939 -1.074 1.00 0.00 O ATOM 0 H TYR A2077 -7.140 -4.487 3.803 1.00 0.00 H new ATOM 0 HA TYR A2077 -8.473 -6.942 3.765 1.00 0.00 H new ATOM 0 HB2 TYR A2077 -8.124 -5.524 1.776 1.00 0.00 H new ATOM 0 HB3 TYR A2077 -6.393 -5.783 1.865 1.00 0.00 H new ATOM 0 HD1 TYR A2077 -9.557 -7.785 1.679 1.00 0.00 H new ATOM 0 HD2 TYR A2077 -5.477 -7.475 0.542 1.00 0.00 H new ATOM 0 HE1 TYR A2077 -9.788 -9.819 0.336 1.00 0.00 H new ATOM 0 HE2 TYR A2077 -5.702 -9.499 -0.822 1.00 0.00 H new ATOM 0 HH TYR A2077 -7.024 -11.139 -1.508 1.00 0.00 H new ATOM 800 N MET A2078 -5.260 -7.165 4.397 1.00 0.00 N ATOM 801 CA MET A2078 -4.213 -8.121 4.812 1.00 0.00 C ATOM 802 C MET A2078 -4.682 -9.015 5.973 1.00 0.00 C ATOM 803 O MET A2078 -4.506 -10.229 5.928 1.00 0.00 O ATOM 804 CB MET A2078 -2.880 -7.425 5.161 1.00 0.00 C ATOM 805 CG MET A2078 -2.968 -6.430 6.309 1.00 0.00 C ATOM 806 SD MET A2078 -1.395 -5.668 6.744 1.00 0.00 S ATOM 807 CE MET A2078 -0.502 -7.073 7.420 1.00 0.00 C ATOM 0 H MET A2078 -4.981 -6.185 4.436 1.00 0.00 H new ATOM 0 HA MET A2078 -4.028 -8.759 3.948 1.00 0.00 H new ATOM 0 HB2 MET A2078 -2.142 -8.187 5.413 1.00 0.00 H new ATOM 0 HB3 MET A2078 -2.513 -6.907 4.275 1.00 0.00 H new ATOM 0 HG2 MET A2078 -3.678 -5.647 6.043 1.00 0.00 H new ATOM 0 HG3 MET A2078 -3.368 -6.938 7.186 1.00 0.00 H new ATOM 0 HE1 MET A2078 0.370 -6.719 7.970 1.00 0.00 H new ATOM 0 HE2 MET A2078 -1.154 -7.629 8.093 1.00 0.00 H new ATOM 0 HE3 MET A2078 -0.180 -7.724 6.608 1.00 0.00 H new ATOM 817 N GLU A2079 -5.278 -8.411 6.987 1.00 0.00 N ATOM 818 CA GLU A2079 -5.773 -9.151 8.128 1.00 0.00 C ATOM 819 C GLU A2079 -7.109 -9.824 7.842 1.00 0.00 C ATOM 820 O GLU A2079 -7.453 -10.831 8.457 1.00 0.00 O ATOM 821 CB GLU A2079 -5.763 -8.323 9.420 1.00 0.00 C ATOM 822 CG GLU A2079 -6.527 -7.013 9.380 1.00 0.00 C ATOM 823 CD GLU A2079 -6.308 -6.226 10.646 1.00 0.00 C ATOM 824 OE1 GLU A2079 -5.305 -5.508 10.739 1.00 0.00 O ATOM 825 OE2 GLU A2079 -7.101 -6.352 11.596 1.00 0.00 O ATOM 0 H GLU A2079 -5.430 -7.404 7.040 1.00 0.00 H new ATOM 0 HA GLU A2079 -5.068 -9.963 8.307 1.00 0.00 H new ATOM 0 HB2 GLU A2079 -6.174 -8.935 10.223 1.00 0.00 H new ATOM 0 HB3 GLU A2079 -4.727 -8.108 9.681 1.00 0.00 H new ATOM 0 HG2 GLU A2079 -6.204 -6.425 8.521 1.00 0.00 H new ATOM 0 HG3 GLU A2079 -7.591 -7.211 9.249 1.00 0.00 H new ATOM 832 N ASP A2080 -7.895 -9.220 6.958 1.00 0.00 N ATOM 833 CA ASP A2080 -9.188 -9.790 6.534 1.00 0.00 C ATOM 834 C ASP A2080 -8.972 -11.053 5.690 1.00 0.00 C ATOM 835 O ASP A2080 -9.828 -11.952 5.645 1.00 0.00 O ATOM 836 CB ASP A2080 -10.024 -8.756 5.767 1.00 0.00 C ATOM 837 CG ASP A2080 -11.372 -9.294 5.322 1.00 0.00 C ATOM 838 OD1 ASP A2080 -12.224 -9.592 6.188 1.00 0.00 O ATOM 839 OD2 ASP A2080 -11.617 -9.401 4.099 1.00 0.00 O ATOM 0 H ASP A2080 -7.666 -8.331 6.514 1.00 0.00 H new ATOM 0 HA ASP A2080 -9.743 -10.068 7.430 1.00 0.00 H new ATOM 0 HB2 ASP A2080 -10.179 -7.882 6.399 1.00 0.00 H new ATOM 0 HB3 ASP A2080 -9.466 -8.422 4.892 1.00 0.00 H new ATOM 844 N ARG A2081 -7.843 -11.105 5.008 1.00 0.00 N ATOM 845 CA ARG A2081 -7.437 -12.278 4.253 1.00 0.00 C ATOM 846 C ARG A2081 -7.078 -13.361 5.274 1.00 0.00 C ATOM 847 O ARG A2081 -5.988 -13.365 5.860 1.00 0.00 O ATOM 848 CB ARG A2081 -6.252 -11.904 3.315 1.00 0.00 C ATOM 849 CG ARG A2081 -5.830 -12.955 2.278 1.00 0.00 C ATOM 850 CD ARG A2081 -5.005 -14.097 2.861 1.00 0.00 C ATOM 851 NE ARG A2081 -3.740 -13.626 3.443 1.00 0.00 N ATOM 852 CZ ARG A2081 -2.515 -13.879 2.940 1.00 0.00 C ATOM 853 NH1 ARG A2081 -2.382 -14.521 1.777 1.00 0.00 N ATOM 854 NH2 ARG A2081 -1.427 -13.463 3.583 1.00 0.00 N ATOM 0 H ARG A2081 -7.179 -10.332 4.961 1.00 0.00 H new ATOM 0 HA ARG A2081 -8.230 -12.655 3.607 1.00 0.00 H new ATOM 0 HB2 ARG A2081 -6.515 -10.989 2.784 1.00 0.00 H new ATOM 0 HB3 ARG A2081 -5.387 -11.674 3.937 1.00 0.00 H new ATOM 0 HG2 ARG A2081 -6.723 -13.367 1.808 1.00 0.00 H new ATOM 0 HG3 ARG A2081 -5.253 -12.466 1.493 1.00 0.00 H new ATOM 0 HD2 ARG A2081 -5.587 -14.609 3.627 1.00 0.00 H new ATOM 0 HD3 ARG A2081 -4.794 -14.827 2.079 1.00 0.00 H new ATOM 0 HE ARG A2081 -3.793 -13.065 4.293 1.00 0.00 H new ATOM 0 HH11 ARG A2081 -3.210 -14.823 1.264 1.00 0.00 H new ATOM 0 HH12 ARG A2081 -1.452 -14.709 1.402 1.00 0.00 H new ATOM 0 HH21 ARG A2081 -1.518 -12.950 4.460 1.00 0.00 H new ATOM 0 HH22 ARG A2081 -0.502 -13.657 3.199 1.00 0.00 H new ATOM 868 N ARG A2082 -8.015 -14.241 5.494 1.00 0.00 N ATOM 869 CA ARG A2082 -7.963 -15.190 6.563 1.00 0.00 C ATOM 870 C ARG A2082 -8.721 -16.423 6.105 1.00 0.00 C ATOM 871 O ARG A2082 -9.442 -16.347 5.098 1.00 0.00 O ATOM 872 CB ARG A2082 -8.706 -14.532 7.729 1.00 0.00 C ATOM 873 CG ARG A2082 -8.565 -15.182 9.083 1.00 0.00 C ATOM 874 CD ARG A2082 -9.417 -14.442 10.099 1.00 0.00 C ATOM 875 NE ARG A2082 -9.165 -12.989 10.056 1.00 0.00 N ATOM 876 CZ ARG A2082 -10.093 -12.040 10.267 1.00 0.00 C ATOM 877 NH1 ARG A2082 -11.299 -12.365 10.742 1.00 0.00 N ATOM 878 NH2 ARG A2082 -9.791 -10.770 10.027 1.00 0.00 N ATOM 0 H ARG A2082 -8.854 -14.317 4.919 1.00 0.00 H new ATOM 0 HA ARG A2082 -6.949 -15.469 6.849 1.00 0.00 H new ATOM 0 HB2 ARG A2082 -8.363 -13.501 7.811 1.00 0.00 H new ATOM 0 HB3 ARG A2082 -9.766 -14.497 7.479 1.00 0.00 H new ATOM 0 HG2 ARG A2082 -8.872 -16.227 9.029 1.00 0.00 H new ATOM 0 HG3 ARG A2082 -7.520 -15.172 9.394 1.00 0.00 H new ATOM 0 HD2 ARG A2082 -10.471 -14.636 9.902 1.00 0.00 H new ATOM 0 HD3 ARG A2082 -9.204 -14.820 11.099 1.00 0.00 H new ATOM 0 HE ARG A2082 -8.214 -12.681 9.851 1.00 0.00 H new ATOM 0 HH11 ARG A2082 -11.521 -13.339 10.947 1.00 0.00 H new ATOM 0 HH12 ARG A2082 -11.998 -11.639 10.899 1.00 0.00 H new ATOM 0 HH21 ARG A2082 -8.862 -10.522 9.686 1.00 0.00 H new ATOM 0 HH22 ARG A2082 -10.488 -10.042 10.184 1.00 0.00 H new ATOM 892 N LYS A2083 -8.565 -17.539 6.798 1.00 0.00 N ATOM 893 CA LYS A2083 -9.314 -18.752 6.463 1.00 0.00 C ATOM 894 C LYS A2083 -10.795 -18.537 6.704 1.00 0.00 C ATOM 895 O LYS A2083 -11.198 -18.068 7.777 1.00 0.00 O ATOM 896 CB LYS A2083 -8.821 -19.991 7.232 1.00 0.00 C ATOM 897 CG LYS A2083 -7.530 -20.629 6.712 1.00 0.00 C ATOM 898 CD LYS A2083 -6.321 -19.712 6.815 1.00 0.00 C ATOM 899 CE LYS A2083 -5.077 -20.393 6.284 1.00 0.00 C ATOM 900 NZ LYS A2083 -5.180 -20.715 4.845 1.00 0.00 N ATOM 0 H LYS A2083 -7.932 -17.636 7.592 1.00 0.00 H new ATOM 0 HA LYS A2083 -9.141 -18.949 5.405 1.00 0.00 H new ATOM 0 HB2 LYS A2083 -8.671 -19.712 8.275 1.00 0.00 H new ATOM 0 HB3 LYS A2083 -9.609 -20.744 7.213 1.00 0.00 H new ATOM 0 HG2 LYS A2083 -7.333 -21.543 7.273 1.00 0.00 H new ATOM 0 HG3 LYS A2083 -7.670 -20.918 5.670 1.00 0.00 H new ATOM 0 HD2 LYS A2083 -6.506 -18.796 6.254 1.00 0.00 H new ATOM 0 HD3 LYS A2083 -6.166 -19.423 7.855 1.00 0.00 H new ATOM 0 HE2 LYS A2083 -4.215 -19.747 6.448 1.00 0.00 H new ATOM 0 HE3 LYS A2083 -4.900 -21.310 6.847 1.00 0.00 H new ATOM 0 HZ1 LYS A2083 -4.238 -20.956 4.475 1.00 0.00 H new ATOM 0 HZ2 LYS A2083 -5.821 -21.524 4.715 1.00 0.00 H new ATOM 0 HZ3 LYS A2083 -5.553 -19.892 4.331 1.00 0.00 H new ATOM 914 N GLN A2084 -11.584 -18.876 5.720 1.00 0.00 N ATOM 915 CA GLN A2084 -13.013 -18.663 5.734 1.00 0.00 C ATOM 916 C GLN A2084 -13.693 -19.855 6.406 1.00 0.00 C ATOM 917 O GLN A2084 -13.060 -20.886 6.638 1.00 0.00 O ATOM 918 CB GLN A2084 -13.508 -18.520 4.287 1.00 0.00 C ATOM 919 CG GLN A2084 -12.759 -17.454 3.488 1.00 0.00 C ATOM 920 CD GLN A2084 -13.138 -17.420 2.017 1.00 0.00 C ATOM 921 OE1 GLN A2084 -12.313 -17.097 1.158 1.00 0.00 O ATOM 922 NE2 GLN A2084 -14.380 -17.689 1.706 1.00 0.00 N ATOM 0 H GLN A2084 -11.247 -19.318 4.865 1.00 0.00 H new ATOM 0 HA GLN A2084 -13.254 -17.757 6.290 1.00 0.00 H new ATOM 0 HB2 GLN A2084 -13.407 -19.480 3.781 1.00 0.00 H new ATOM 0 HB3 GLN A2084 -14.570 -18.275 4.297 1.00 0.00 H new ATOM 0 HG2 GLN A2084 -12.956 -16.476 3.928 1.00 0.00 H new ATOM 0 HG3 GLN A2084 -11.687 -17.633 3.575 1.00 0.00 H new ATOM 0 HE21 GLN A2084 -15.042 -17.954 2.435 1.00 0.00 H new ATOM 0 HE22 GLN A2084 -14.686 -17.634 0.734 1.00 0.00 H new ATOM 931 N LYS A2085 -14.985 -19.752 6.660 1.00 0.00 N ATOM 932 CA LYS A2085 -15.718 -20.836 7.330 1.00 0.00 C ATOM 933 C LYS A2085 -16.161 -21.906 6.317 1.00 0.00 C ATOM 934 O LYS A2085 -16.956 -22.800 6.629 1.00 0.00 O ATOM 935 CB LYS A2085 -16.941 -20.293 8.090 1.00 0.00 C ATOM 936 CG LYS A2085 -18.017 -19.676 7.196 1.00 0.00 C ATOM 937 CD LYS A2085 -19.255 -19.249 7.980 1.00 0.00 C ATOM 938 CE LYS A2085 -19.867 -20.419 8.737 1.00 0.00 C ATOM 939 NZ LYS A2085 -21.182 -20.092 9.312 1.00 0.00 N ATOM 0 H LYS A2085 -15.554 -18.940 6.419 1.00 0.00 H new ATOM 0 HA LYS A2085 -15.040 -21.294 8.050 1.00 0.00 H new ATOM 0 HB2 LYS A2085 -17.386 -21.105 8.666 1.00 0.00 H new ATOM 0 HB3 LYS A2085 -16.605 -19.542 8.805 1.00 0.00 H new ATOM 0 HG2 LYS A2085 -17.602 -18.811 6.679 1.00 0.00 H new ATOM 0 HG3 LYS A2085 -18.306 -20.397 6.431 1.00 0.00 H new ATOM 0 HD2 LYS A2085 -18.988 -18.460 8.683 1.00 0.00 H new ATOM 0 HD3 LYS A2085 -19.994 -18.830 7.296 1.00 0.00 H new ATOM 0 HE2 LYS A2085 -19.970 -21.270 8.063 1.00 0.00 H new ATOM 0 HE3 LYS A2085 -19.191 -20.725 9.535 1.00 0.00 H new ATOM 0 HZ1 LYS A2085 -21.556 -20.921 9.817 1.00 0.00 H new ATOM 0 HZ2 LYS A2085 -21.083 -19.298 9.976 1.00 0.00 H new ATOM 0 HZ3 LYS A2085 -21.838 -19.826 8.550 1.00 0.00 H new TER 953 LYS A2085