USER MOD reduce.3.24.130724 H: found=0, std=0, add=938, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 938 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 109 SER OG : rot -43:sc= 1.26 USER MOD Set 1.2: A 117 HIS : no HD1:sc= 1.82 K(o=3.1,f=-12!) USER MOD Set 2.1: A 36 SER OG : rot -175:sc= 0.75 USER MOD Set 2.2: A 44 THR OG1 : rot 145:sc= 1.4 USER MOD Single : A 1 MET CE :methyl 138:sc= -1.77 (180deg=-4.68!) USER MOD Single : A 1 MET N :NH3+ -163:sc= -0.0708 (180deg=-0.481) USER MOD Single : A 2 THR OG1 : rot 67:sc= 1.29 USER MOD Single : A 3 THR OG1 : rot -95:sc= 1.26 USER MOD Single : A 4 HIS : no HD1:sc= 0.53 K(o=0.53,f=-4!) USER MOD Single : A 10 GLN : amide:sc= -1.55 K(o=-1.6,f=-0.62) USER MOD Single : A 12 GLN : amide:sc= -2.94! C(o=-2.9!,f=-10!) USER MOD Single : A 21 HIS : no HD1:sc=-0.00654 X(o=-0.0065,f=0) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 23 HIS : no HD1:sc= -0.0557 X(o=-0.056,f=-0.2) USER MOD Single : A 26 ASN : amide:sc= 1.54 K(o=1.5,f=-2.8!) USER MOD Single : A 30 GLN : amide:sc= -0.0216 X(o=-0.022,f=-0.063) USER MOD Single : A 32 HIS : no HD1:sc= -0.0621 X(o=-0.062,f=0) USER MOD Single : A 33 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 35 ASN : amide:sc= -0.0356 K(o=-0.036,f=-1.2!) USER MOD Single : A 37 THR OG1 : rot -15:sc= 0.188 USER MOD Single : A 38 GLN : amide:sc= -0.809 K(o=-0.81,f=-3.6!) USER MOD Single : A 42 MET CE :methyl -110:sc= -0.786 (180deg=-1.83) USER MOD Single : A 45 MET CE :methyl 162:sc= -0.113 (180deg=-0.591) USER MOD Single : A 52 GLN : amide:sc= -5.18! C(o=-5.2!,f=-7.7!) USER MOD Single : A 59 MET CE :methyl -149:sc= 0 (180deg=-0.0394) USER MOD Single : A 60 HIS : no HE2:sc= 0.329 K(o=0.33,f=-2.7!) USER MOD Single : A 65 ASN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 66 LYS NZ :NH3+ -144:sc= 0.1 (180deg=-0.58) USER MOD Single : A 67 GLN : amide:sc=-0.00362 X(o=-0.0036,f=0) USER MOD Single : A 78 TYR OH : rot 26:sc= 1.33 USER MOD Single : A 79 TYR OH : rot 180:sc= -1.12 USER MOD Single : A 81 MET CE :methyl -120:sc= -1.59 (180deg=-3.1!) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0.00669 USER MOD Single : A 87 HIS : no HD1:sc= 0 X(o=0,f=-0.072) USER MOD Single : A 89 GLN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 99 LYS NZ :NH3+ -141:sc= -0.126 (180deg=-0.629) USER MOD Single : A 112 HIS : no HE2:sc= 0.481 K(o=0.48,f=-6.1!) USER MOD Single : A 113 HIS : no HD1:sc= 0 X(o=0,f=-0.0089) USER MOD Single : A 114 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 115 HIS : no HD1:sc= -0.0015 X(o=-0.0015,f=0) USER MOD Single : A 116 HIS : no HD1:sc= 0 X(o=0,f=-0.0084) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -16.814 4.841 8.321 1.00 0.00 N ATOM 2 CA MET A 1 -16.524 4.290 6.982 1.00 0.00 C ATOM 3 C MET A 1 -16.156 2.816 7.107 1.00 0.00 C ATOM 4 O MET A 1 -15.481 2.416 8.057 1.00 0.00 O ATOM 5 CB MET A 1 -15.383 5.074 6.323 1.00 0.00 C ATOM 6 CG MET A 1 -15.672 6.563 6.186 1.00 0.00 C ATOM 7 SD MET A 1 -14.290 7.492 5.492 1.00 0.00 S ATOM 8 CE MET A 1 -14.204 6.801 3.842 1.00 0.00 C ATOM 0 H1 MET A 1 -17.333 5.737 8.223 1.00 0.00 H new ATOM 0 H2 MET A 1 -17.392 4.163 8.858 1.00 0.00 H new ATOM 0 H3 MET A 1 -15.922 5.012 8.827 1.00 0.00 H new ATOM 0 HA MET A 1 -17.410 4.383 6.354 1.00 0.00 H new ATOM 0 HB2 MET A 1 -14.474 4.940 6.910 1.00 0.00 H new ATOM 0 HB3 MET A 1 -15.189 4.657 5.335 1.00 0.00 H new ATOM 0 HG2 MET A 1 -16.548 6.700 5.553 1.00 0.00 H new ATOM 0 HG3 MET A 1 -15.920 6.970 7.166 1.00 0.00 H new ATOM 0 HE1 MET A 1 -14.034 7.601 3.121 1.00 0.00 H new ATOM 0 HE2 MET A 1 -13.384 6.085 3.790 1.00 0.00 H new ATOM 0 HE3 MET A 1 -15.142 6.296 3.610 1.00 0.00 H new ATOM 20 N THR A 2 -16.616 2.008 6.165 1.00 0.00 N ATOM 21 CA THR A 2 -16.390 0.574 6.218 1.00 0.00 C ATOM 22 C THR A 2 -14.936 0.208 5.895 1.00 0.00 C ATOM 23 O THR A 2 -14.116 1.081 5.591 1.00 0.00 O ATOM 24 CB THR A 2 -17.365 -0.172 5.285 1.00 0.00 C ATOM 25 OG1 THR A 2 -17.817 0.702 4.239 1.00 0.00 O ATOM 26 CG2 THR A 2 -18.563 -0.693 6.065 1.00 0.00 C ATOM 0 H THR A 2 -17.149 2.322 5.354 1.00 0.00 H new ATOM 0 HA THR A 2 -16.583 0.256 7.243 1.00 0.00 H new ATOM 0 HB THR A 2 -16.835 -1.018 4.846 1.00 0.00 H new ATOM 0 HG1 THR A 2 -17.066 0.920 3.648 1.00 0.00 H new ATOM 0 HG21 THR A 2 -19.238 -1.216 5.388 1.00 0.00 H new ATOM 0 HG22 THR A 2 -18.222 -1.380 6.840 1.00 0.00 H new ATOM 0 HG23 THR A 2 -19.088 0.143 6.527 1.00 0.00 H new ATOM 34 N THR A 3 -14.634 -1.085 5.972 1.00 0.00 N ATOM 35 CA THR A 3 -13.268 -1.590 5.862 1.00 0.00 C ATOM 36 C THR A 3 -12.532 -1.062 4.629 1.00 0.00 C ATOM 37 O THR A 3 -11.458 -0.469 4.750 1.00 0.00 O ATOM 38 CB THR A 3 -13.272 -3.125 5.823 1.00 0.00 C ATOM 39 OG1 THR A 3 -14.116 -3.632 6.864 1.00 0.00 O ATOM 40 CG2 THR A 3 -11.865 -3.678 5.987 1.00 0.00 C ATOM 0 H THR A 3 -15.332 -1.815 6.113 1.00 0.00 H new ATOM 0 HA THR A 3 -12.736 -1.230 6.743 1.00 0.00 H new ATOM 0 HB THR A 3 -13.654 -3.443 4.853 1.00 0.00 H new ATOM 0 HG1 THR A 3 -13.574 -3.836 7.654 1.00 0.00 H new ATOM 0 HG21 THR A 3 -11.896 -4.767 5.956 1.00 0.00 H new ATOM 0 HG22 THR A 3 -11.233 -3.310 5.179 1.00 0.00 H new ATOM 0 HG23 THR A 3 -11.456 -3.354 6.944 1.00 0.00 H new ATOM 48 N HIS A 4 -13.115 -1.263 3.450 1.00 0.00 N ATOM 49 CA HIS A 4 -12.455 -0.898 2.194 1.00 0.00 C ATOM 50 C HIS A 4 -12.200 0.601 2.137 1.00 0.00 C ATOM 51 O HIS A 4 -11.187 1.052 1.606 1.00 0.00 O ATOM 52 CB HIS A 4 -13.303 -1.313 0.986 1.00 0.00 C ATOM 53 CG HIS A 4 -13.614 -2.775 0.930 1.00 0.00 C ATOM 54 ND1 HIS A 4 -14.793 -3.308 1.402 1.00 0.00 N ATOM 55 CD2 HIS A 4 -12.906 -3.817 0.433 1.00 0.00 C ATOM 56 CE1 HIS A 4 -14.796 -4.612 1.204 1.00 0.00 C ATOM 57 NE2 HIS A 4 -13.663 -4.946 0.617 1.00 0.00 N ATOM 0 H HIS A 4 -14.041 -1.675 3.335 1.00 0.00 H new ATOM 0 HA HIS A 4 -11.503 -1.428 2.158 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -14.239 -0.754 1.004 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -12.779 -1.029 0.073 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -11.928 -3.768 -0.023 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -15.591 -5.291 1.476 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -13.393 -5.891 0.344 1.00 0.00 H new ATOM 66 N ASP A 5 -13.122 1.358 2.707 1.00 0.00 N ATOM 67 CA ASP A 5 -13.055 2.813 2.698 1.00 0.00 C ATOM 68 C ASP A 5 -11.925 3.300 3.594 1.00 0.00 C ATOM 69 O ASP A 5 -11.277 4.306 3.303 1.00 0.00 O ATOM 70 CB ASP A 5 -14.389 3.393 3.168 1.00 0.00 C ATOM 71 CG ASP A 5 -15.569 2.799 2.429 1.00 0.00 C ATOM 72 OD1 ASP A 5 -15.966 1.658 2.758 1.00 0.00 O ATOM 73 OD2 ASP A 5 -16.110 3.460 1.521 1.00 0.00 O ATOM 0 H ASP A 5 -13.939 0.983 3.190 1.00 0.00 H new ATOM 0 HA ASP A 5 -12.856 3.151 1.681 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -14.504 3.212 4.237 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -14.382 4.474 3.027 1.00 0.00 H new ATOM 78 N ARG A 6 -11.684 2.580 4.681 1.00 0.00 N ATOM 79 CA ARG A 6 -10.571 2.892 5.564 1.00 0.00 C ATOM 80 C ARG A 6 -9.246 2.596 4.868 1.00 0.00 C ATOM 81 O ARG A 6 -8.280 3.346 5.009 1.00 0.00 O ATOM 82 CB ARG A 6 -10.680 2.110 6.873 1.00 0.00 C ATOM 83 CG ARG A 6 -11.696 2.689 7.846 1.00 0.00 C ATOM 84 CD ARG A 6 -11.837 1.824 9.088 1.00 0.00 C ATOM 85 NE ARG A 6 -13.145 1.174 9.151 1.00 0.00 N ATOM 86 CZ ARG A 6 -13.328 -0.130 9.354 1.00 0.00 C ATOM 87 NH1 ARG A 6 -12.291 -0.935 9.550 1.00 0.00 N ATOM 88 NH2 ARG A 6 -14.556 -0.623 9.387 1.00 0.00 N ATOM 0 H ARG A 6 -12.243 1.778 4.971 1.00 0.00 H new ATOM 0 HA ARG A 6 -10.608 3.955 5.803 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -10.951 1.078 6.649 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -9.702 2.085 7.354 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -11.392 3.695 8.135 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -12.664 2.778 7.352 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -11.054 1.066 9.094 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -11.693 2.438 9.977 1.00 0.00 H new ATOM 0 HE ARG A 6 -13.973 1.758 9.032 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -11.344 -0.557 9.546 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -12.441 -1.932 9.705 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -15.357 -0.005 9.257 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -14.701 -1.621 9.542 1.00 0.00 H new ATOM 102 N VAL A 7 -9.211 1.510 4.098 1.00 0.00 N ATOM 103 CA VAL A 7 -8.023 1.172 3.323 1.00 0.00 C ATOM 104 C VAL A 7 -7.810 2.218 2.230 1.00 0.00 C ATOM 105 O VAL A 7 -6.678 2.595 1.921 1.00 0.00 O ATOM 106 CB VAL A 7 -8.129 -0.229 2.681 1.00 0.00 C ATOM 107 CG1 VAL A 7 -6.790 -0.662 2.102 1.00 0.00 C ATOM 108 CG2 VAL A 7 -8.626 -1.254 3.684 1.00 0.00 C ATOM 0 H VAL A 7 -9.986 0.855 3.996 1.00 0.00 H new ATOM 0 HA VAL A 7 -7.174 1.161 4.007 1.00 0.00 H new ATOM 0 HB VAL A 7 -8.854 -0.167 1.869 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -6.890 -1.651 1.656 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -6.476 0.050 1.339 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -6.044 -0.696 2.896 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -8.691 -2.231 3.204 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -7.933 -1.307 4.524 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -9.612 -0.961 4.045 1.00 0.00 H new ATOM 118 N ARG A 8 -8.921 2.685 1.661 1.00 0.00 N ATOM 119 CA ARG A 8 -8.910 3.766 0.678 1.00 0.00 C ATOM 120 C ARG A 8 -8.157 4.983 1.215 1.00 0.00 C ATOM 121 O ARG A 8 -7.290 5.537 0.535 1.00 0.00 O ATOM 122 CB ARG A 8 -10.355 4.150 0.313 1.00 0.00 C ATOM 123 CG ARG A 8 -10.511 5.558 -0.251 1.00 0.00 C ATOM 124 CD ARG A 8 -9.858 5.707 -1.612 1.00 0.00 C ATOM 125 NE ARG A 8 -10.798 5.477 -2.706 1.00 0.00 N ATOM 126 CZ ARG A 8 -11.026 6.357 -3.682 1.00 0.00 C ATOM 127 NH1 ARG A 8 -10.407 7.533 -3.677 1.00 0.00 N ATOM 128 NH2 ARG A 8 -11.877 6.065 -4.657 1.00 0.00 N ATOM 0 H ARG A 8 -9.852 2.325 1.869 1.00 0.00 H new ATOM 0 HA ARG A 8 -8.394 3.418 -0.217 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -10.734 3.435 -0.418 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -10.978 4.057 1.203 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -11.571 5.800 -0.330 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -10.071 6.276 0.442 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -9.436 6.708 -1.703 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -9.029 5.004 -1.694 1.00 0.00 H new ATOM 0 HE ARG A 8 -11.309 4.594 -2.725 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -9.756 7.764 -2.926 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -10.582 8.205 -4.424 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -12.359 5.166 -4.661 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -12.050 6.740 -5.402 1.00 0.00 H new ATOM 142 N LEU A 9 -8.493 5.387 2.434 1.00 0.00 N ATOM 143 CA LEU A 9 -7.860 6.543 3.058 1.00 0.00 C ATOM 144 C LEU A 9 -6.362 6.312 3.226 1.00 0.00 C ATOM 145 O LEU A 9 -5.554 7.211 2.990 1.00 0.00 O ATOM 146 CB LEU A 9 -8.500 6.833 4.419 1.00 0.00 C ATOM 147 CG LEU A 9 -10.006 7.103 4.389 1.00 0.00 C ATOM 148 CD1 LEU A 9 -10.524 7.389 5.789 1.00 0.00 C ATOM 149 CD2 LEU A 9 -10.324 8.264 3.456 1.00 0.00 C ATOM 0 H LEU A 9 -9.200 4.931 3.010 1.00 0.00 H new ATOM 0 HA LEU A 9 -8.009 7.404 2.407 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -8.313 5.985 5.078 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -8.001 7.696 4.860 1.00 0.00 H new ATOM 0 HG LEU A 9 -10.506 6.211 4.011 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -11.597 7.579 5.748 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -10.332 6.529 6.431 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -10.016 8.264 6.193 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -11.400 8.440 3.448 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -9.812 9.161 3.804 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -9.989 8.023 2.447 1.00 0.00 H new ATOM 161 N GLN A 10 -5.999 5.096 3.612 1.00 0.00 N ATOM 162 CA GLN A 10 -4.602 4.756 3.847 1.00 0.00 C ATOM 163 C GLN A 10 -3.803 4.725 2.551 1.00 0.00 C ATOM 164 O GLN A 10 -2.653 5.149 2.524 1.00 0.00 O ATOM 165 CB GLN A 10 -4.490 3.421 4.578 1.00 0.00 C ATOM 166 CG GLN A 10 -4.936 3.500 6.027 1.00 0.00 C ATOM 167 CD GLN A 10 -4.120 4.496 6.828 1.00 0.00 C ATOM 168 OE1 GLN A 10 -4.470 5.672 6.922 1.00 0.00 O ATOM 169 NE2 GLN A 10 -3.025 4.036 7.402 1.00 0.00 N ATOM 0 H GLN A 10 -6.652 4.329 3.769 1.00 0.00 H new ATOM 0 HA GLN A 10 -4.176 5.537 4.477 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -5.093 2.676 4.058 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -3.456 3.078 4.540 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -5.988 3.781 6.066 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -4.853 2.514 6.485 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -2.770 3.054 7.300 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -2.434 4.663 7.948 1.00 0.00 H new ATOM 178 N LEU A 11 -4.408 4.236 1.474 1.00 0.00 N ATOM 179 CA LEU A 11 -3.736 4.234 0.177 1.00 0.00 C ATOM 180 C LEU A 11 -3.440 5.654 -0.279 1.00 0.00 C ATOM 181 O LEU A 11 -2.390 5.920 -0.860 1.00 0.00 O ATOM 182 CB LEU A 11 -4.563 3.513 -0.888 1.00 0.00 C ATOM 183 CG LEU A 11 -4.536 1.987 -0.819 1.00 0.00 C ATOM 184 CD1 LEU A 11 -5.280 1.399 -2.005 1.00 0.00 C ATOM 185 CD2 LEU A 11 -3.101 1.475 -0.786 1.00 0.00 C ATOM 0 H LEU A 11 -5.348 3.841 1.470 1.00 0.00 H new ATOM 0 HA LEU A 11 -2.798 3.694 0.303 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -5.598 3.845 -0.806 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -4.206 3.821 -1.871 1.00 0.00 H new ATOM 0 HG LEU A 11 -5.031 1.672 0.099 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -5.255 0.311 -1.947 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -6.315 1.740 -1.990 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -4.804 1.724 -2.930 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -3.104 0.386 -0.737 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -2.579 1.796 -1.688 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -2.592 1.876 0.090 1.00 0.00 H new ATOM 197 N GLN A 12 -4.361 6.570 -0.009 1.00 0.00 N ATOM 198 CA GLN A 12 -4.159 7.969 -0.358 1.00 0.00 C ATOM 199 C GLN A 12 -3.086 8.587 0.533 1.00 0.00 C ATOM 200 O GLN A 12 -2.314 9.440 0.095 1.00 0.00 O ATOM 201 CB GLN A 12 -5.469 8.753 -0.245 1.00 0.00 C ATOM 202 CG GLN A 12 -6.541 8.282 -1.219 1.00 0.00 C ATOM 203 CD GLN A 12 -7.793 9.142 -1.193 1.00 0.00 C ATOM 204 OE1 GLN A 12 -8.897 8.655 -1.439 1.00 0.00 O ATOM 205 NE2 GLN A 12 -7.630 10.426 -0.922 1.00 0.00 N ATOM 0 H GLN A 12 -5.251 6.370 0.448 1.00 0.00 H new ATOM 0 HA GLN A 12 -3.823 8.019 -1.394 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -5.849 8.666 0.773 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -5.268 9.810 -0.421 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -6.130 8.280 -2.229 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -6.810 7.253 -0.983 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -6.699 10.791 -0.723 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -8.436 11.051 -0.912 1.00 0.00 H new ATOM 214 N ALA A 13 -3.031 8.140 1.782 1.00 0.00 N ATOM 215 CA ALA A 13 -2.011 8.601 2.715 1.00 0.00 C ATOM 216 C ALA A 13 -0.638 8.063 2.320 1.00 0.00 C ATOM 217 O ALA A 13 0.357 8.786 2.356 1.00 0.00 O ATOM 218 CB ALA A 13 -2.364 8.180 4.133 1.00 0.00 C ATOM 0 H ALA A 13 -3.682 7.458 2.172 1.00 0.00 H new ATOM 0 HA ALA A 13 -1.973 9.690 2.676 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -1.593 8.531 4.819 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.324 8.614 4.413 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.428 7.093 4.185 1.00 0.00 H new ATOM 224 N LEU A 14 -0.595 6.792 1.939 1.00 0.00 N ATOM 225 CA LEU A 14 0.641 6.159 1.490 1.00 0.00 C ATOM 226 C LEU A 14 1.125 6.801 0.194 1.00 0.00 C ATOM 227 O LEU A 14 2.319 7.040 0.014 1.00 0.00 O ATOM 228 CB LEU A 14 0.423 4.654 1.293 1.00 0.00 C ATOM 229 CG LEU A 14 1.653 3.863 0.841 1.00 0.00 C ATOM 230 CD1 LEU A 14 2.776 3.976 1.863 1.00 0.00 C ATOM 231 CD2 LEU A 14 1.283 2.406 0.609 1.00 0.00 C ATOM 0 H LEU A 14 -1.407 6.175 1.932 1.00 0.00 H new ATOM 0 HA LEU A 14 1.406 6.303 2.253 1.00 0.00 H new ATOM 0 HB2 LEU A 14 0.065 4.231 2.232 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.369 4.513 0.557 1.00 0.00 H new ATOM 0 HG LEU A 14 2.010 4.286 -0.098 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.639 3.406 1.520 1.00 0.00 H new ATOM 0 HD12 LEU A 14 3.056 5.023 1.981 1.00 0.00 H new ATOM 0 HD13 LEU A 14 2.438 3.581 2.821 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.166 1.853 0.288 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.902 1.975 1.535 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.515 2.344 -0.162 1.00 0.00 H new ATOM 243 N GLU A 15 0.185 7.091 -0.699 1.00 0.00 N ATOM 244 CA GLU A 15 0.496 7.776 -1.947 1.00 0.00 C ATOM 245 C GLU A 15 1.107 9.144 -1.653 1.00 0.00 C ATOM 246 O GLU A 15 2.080 9.557 -2.285 1.00 0.00 O ATOM 247 CB GLU A 15 -0.774 7.933 -2.788 1.00 0.00 C ATOM 248 CG GLU A 15 -0.524 8.429 -4.204 1.00 0.00 C ATOM 249 CD GLU A 15 -1.811 8.681 -4.962 1.00 0.00 C ATOM 250 OE1 GLU A 15 -2.470 7.703 -5.383 1.00 0.00 O ATOM 251 OE2 GLU A 15 -2.178 9.861 -5.139 1.00 0.00 O ATOM 0 H GLU A 15 -0.802 6.861 -0.580 1.00 0.00 H new ATOM 0 HA GLU A 15 1.218 7.183 -2.508 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.286 6.972 -2.836 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -1.447 8.628 -2.285 1.00 0.00 H new ATOM 0 HG2 GLU A 15 0.059 9.349 -4.166 1.00 0.00 H new ATOM 0 HG3 GLU A 15 0.074 7.695 -4.743 1.00 0.00 H new ATOM 258 N ALA A 16 0.536 9.833 -0.671 1.00 0.00 N ATOM 259 CA ALA A 16 1.034 11.138 -0.257 1.00 0.00 C ATOM 260 C ALA A 16 2.414 11.024 0.381 1.00 0.00 C ATOM 261 O ALA A 16 3.257 11.890 0.190 1.00 0.00 O ATOM 262 CB ALA A 16 0.060 11.798 0.704 1.00 0.00 C ATOM 0 H ALA A 16 -0.275 9.507 -0.146 1.00 0.00 H new ATOM 0 HA ALA A 16 1.124 11.760 -1.147 1.00 0.00 H new ATOM 0 HB1 ALA A 16 0.448 12.772 1.003 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -0.905 11.927 0.213 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -0.063 11.170 1.586 1.00 0.00 H new ATOM 268 N LEU A 17 2.641 9.946 1.125 1.00 0.00 N ATOM 269 CA LEU A 17 3.929 9.714 1.781 1.00 0.00 C ATOM 270 C LEU A 17 5.053 9.716 0.745 1.00 0.00 C ATOM 271 O LEU A 17 6.124 10.292 0.960 1.00 0.00 O ATOM 272 CB LEU A 17 3.885 8.380 2.550 1.00 0.00 C ATOM 273 CG LEU A 17 5.069 8.085 3.481 1.00 0.00 C ATOM 274 CD1 LEU A 17 4.648 7.113 4.571 1.00 0.00 C ATOM 275 CD2 LEU A 17 6.247 7.505 2.711 1.00 0.00 C ATOM 0 H LEU A 17 1.949 9.215 1.291 1.00 0.00 H new ATOM 0 HA LEU A 17 4.126 10.516 2.493 1.00 0.00 H new ATOM 0 HB2 LEU A 17 2.971 8.359 3.144 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.812 7.570 1.824 1.00 0.00 H new ATOM 0 HG LEU A 17 5.381 9.027 3.931 1.00 0.00 H new ATOM 0 HD11 LEU A 17 5.496 6.911 5.226 1.00 0.00 H new ATOM 0 HD12 LEU A 17 3.836 7.549 5.153 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.310 6.181 4.117 1.00 0.00 H new ATOM 0 HD21 LEU A 17 7.069 7.307 3.399 1.00 0.00 H new ATOM 0 HD22 LEU A 17 5.945 6.575 2.230 1.00 0.00 H new ATOM 0 HD23 LEU A 17 6.572 8.217 1.952 1.00 0.00 H new ATOM 287 N LEU A 18 4.789 9.092 -0.392 1.00 0.00 N ATOM 288 CA LEU A 18 5.764 9.010 -1.469 1.00 0.00 C ATOM 289 C LEU A 18 5.824 10.321 -2.251 1.00 0.00 C ATOM 290 O LEU A 18 6.839 10.640 -2.873 1.00 0.00 O ATOM 291 CB LEU A 18 5.409 7.847 -2.394 1.00 0.00 C ATOM 292 CG LEU A 18 5.360 6.482 -1.704 1.00 0.00 C ATOM 293 CD1 LEU A 18 4.835 5.417 -2.650 1.00 0.00 C ATOM 294 CD2 LEU A 18 6.738 6.099 -1.183 1.00 0.00 C ATOM 0 H LEU A 18 3.901 8.632 -0.594 1.00 0.00 H new ATOM 0 HA LEU A 18 6.750 8.835 -1.038 1.00 0.00 H new ATOM 0 HB2 LEU A 18 4.439 8.045 -2.850 1.00 0.00 H new ATOM 0 HB3 LEU A 18 6.139 7.806 -3.202 1.00 0.00 H new ATOM 0 HG LEU A 18 4.676 6.553 -0.858 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.809 4.456 -2.137 1.00 0.00 H new ATOM 0 HD12 LEU A 18 3.829 5.682 -2.974 1.00 0.00 H new ATOM 0 HD13 LEU A 18 5.490 5.347 -3.519 1.00 0.00 H new ATOM 0 HD21 LEU A 18 6.685 5.126 -0.695 1.00 0.00 H new ATOM 0 HD22 LEU A 18 7.441 6.050 -2.015 1.00 0.00 H new ATOM 0 HD23 LEU A 18 7.076 6.846 -0.465 1.00 0.00 H new ATOM 306 N ARG A 19 4.733 11.074 -2.198 1.00 0.00 N ATOM 307 CA ARG A 19 4.636 12.366 -2.871 1.00 0.00 C ATOM 308 C ARG A 19 5.420 13.432 -2.111 1.00 0.00 C ATOM 309 O ARG A 19 6.251 14.137 -2.685 1.00 0.00 O ATOM 310 CB ARG A 19 3.167 12.790 -2.973 1.00 0.00 C ATOM 311 CG ARG A 19 2.950 14.139 -3.642 1.00 0.00 C ATOM 312 CD ARG A 19 1.549 14.668 -3.364 1.00 0.00 C ATOM 313 NE ARG A 19 1.242 15.881 -4.126 1.00 0.00 N ATOM 314 CZ ARG A 19 1.154 17.102 -3.593 1.00 0.00 C ATOM 315 NH1 ARG A 19 1.504 17.312 -2.329 1.00 0.00 N ATOM 316 NH2 ARG A 19 0.747 18.123 -4.338 1.00 0.00 N ATOM 0 H ARG A 19 3.890 10.808 -1.688 1.00 0.00 H new ATOM 0 HA ARG A 19 5.060 12.265 -3.870 1.00 0.00 H new ATOM 0 HB2 ARG A 19 2.619 12.029 -3.529 1.00 0.00 H new ATOM 0 HB3 ARG A 19 2.740 12.822 -1.971 1.00 0.00 H new ATOM 0 HG2 ARG A 19 3.690 14.852 -3.279 1.00 0.00 H new ATOM 0 HG3 ARG A 19 3.100 14.044 -4.717 1.00 0.00 H new ATOM 0 HD2 ARG A 19 0.819 13.896 -3.607 1.00 0.00 H new ATOM 0 HD3 ARG A 19 1.449 14.878 -2.299 1.00 0.00 H new ATOM 0 HE ARG A 19 1.085 15.787 -5.129 1.00 0.00 H new ATOM 0 HH11 ARG A 19 1.843 16.538 -1.758 1.00 0.00 H new ATOM 0 HH12 ARG A 19 1.434 18.248 -1.929 1.00 0.00 H new ATOM 0 HH21 ARG A 19 0.502 17.974 -5.317 1.00 0.00 H new ATOM 0 HH22 ARG A 19 0.680 19.056 -3.931 1.00 0.00 H new ATOM 330 N GLU A 20 5.152 13.533 -0.813 1.00 0.00 N ATOM 331 CA GLU A 20 5.765 14.555 0.025 1.00 0.00 C ATOM 332 C GLU A 20 7.264 14.323 0.166 1.00 0.00 C ATOM 333 O GLU A 20 8.047 15.269 0.201 1.00 0.00 O ATOM 334 CB GLU A 20 5.108 14.578 1.405 1.00 0.00 C ATOM 335 CG GLU A 20 3.595 14.739 1.359 1.00 0.00 C ATOM 336 CD GLU A 20 3.158 15.935 0.538 1.00 0.00 C ATOM 337 OE1 GLU A 20 3.353 17.080 1.001 1.00 0.00 O ATOM 338 OE2 GLU A 20 2.624 15.737 -0.571 1.00 0.00 O ATOM 0 H GLU A 20 4.510 12.915 -0.317 1.00 0.00 H new ATOM 0 HA GLU A 20 5.612 15.520 -0.458 1.00 0.00 H new ATOM 0 HB2 GLU A 20 5.350 13.653 1.929 1.00 0.00 H new ATOM 0 HB3 GLU A 20 5.534 15.395 1.987 1.00 0.00 H new ATOM 0 HG2 GLU A 20 3.150 13.835 0.942 1.00 0.00 H new ATOM 0 HG3 GLU A 20 3.214 14.842 2.375 1.00 0.00 H new ATOM 345 N HIS A 21 7.665 13.059 0.235 1.00 0.00 N ATOM 346 CA HIS A 21 9.078 12.724 0.338 1.00 0.00 C ATOM 347 C HIS A 21 9.722 12.653 -1.045 1.00 0.00 C ATOM 348 O HIS A 21 10.912 12.366 -1.169 1.00 0.00 O ATOM 349 CB HIS A 21 9.275 11.406 1.095 1.00 0.00 C ATOM 350 CG HIS A 21 9.098 11.533 2.580 1.00 0.00 C ATOM 351 ND1 HIS A 21 10.096 11.983 3.418 1.00 0.00 N ATOM 352 CD2 HIS A 21 8.036 11.266 3.375 1.00 0.00 C ATOM 353 CE1 HIS A 21 9.655 11.989 4.662 1.00 0.00 C ATOM 354 NE2 HIS A 21 8.407 11.559 4.665 1.00 0.00 N ATOM 0 H HIS A 21 7.037 12.256 0.222 1.00 0.00 H new ATOM 0 HA HIS A 21 9.570 13.516 0.903 1.00 0.00 H new ATOM 0 HB2 HIS A 21 8.567 10.669 0.715 1.00 0.00 H new ATOM 0 HB3 HIS A 21 10.275 11.024 0.888 1.00 0.00 H new ATOM 0 HD2 HIS A 21 7.075 10.892 3.055 1.00 0.00 H new ATOM 0 HE1 HIS A 21 10.220 12.294 5.531 1.00 0.00 H new ATOM 0 HE2 HIS A 21 7.815 11.460 5.490 1.00 0.00 H new ATOM 363 N GLN A 22 8.916 12.917 -2.075 1.00 0.00 N ATOM 364 CA GLN A 22 9.384 12.978 -3.462 1.00 0.00 C ATOM 365 C GLN A 22 10.200 11.743 -3.844 1.00 0.00 C ATOM 366 O GLN A 22 11.341 11.851 -4.297 1.00 0.00 O ATOM 367 CB GLN A 22 10.204 14.249 -3.697 1.00 0.00 C ATOM 368 CG GLN A 22 9.430 15.524 -3.417 1.00 0.00 C ATOM 369 CD GLN A 22 10.215 16.776 -3.750 1.00 0.00 C ATOM 370 OE1 GLN A 22 11.443 16.798 -3.664 1.00 0.00 O ATOM 371 NE2 GLN A 22 9.508 17.827 -4.124 1.00 0.00 N ATOM 0 H GLN A 22 7.917 13.095 -1.971 1.00 0.00 H new ATOM 0 HA GLN A 22 8.501 13.001 -4.101 1.00 0.00 H new ATOM 0 HB2 GLN A 22 11.090 14.224 -3.063 1.00 0.00 H new ATOM 0 HB3 GLN A 22 10.552 14.263 -4.730 1.00 0.00 H new ATOM 0 HG2 GLN A 22 8.506 15.516 -3.995 1.00 0.00 H new ATOM 0 HG3 GLN A 22 9.147 15.548 -2.365 1.00 0.00 H new ATOM 0 HE21 GLN A 22 8.492 17.764 -4.181 1.00 0.00 H new ATOM 0 HE22 GLN A 22 9.978 18.702 -4.355 1.00 0.00 H new ATOM 380 N HIS A 23 9.613 10.571 -3.661 1.00 0.00 N ATOM 381 CA HIS A 23 10.290 9.327 -4.004 1.00 0.00 C ATOM 382 C HIS A 23 9.397 8.447 -4.864 1.00 0.00 C ATOM 383 O HIS A 23 9.523 7.225 -4.865 1.00 0.00 O ATOM 384 CB HIS A 23 10.735 8.575 -2.745 1.00 0.00 C ATOM 385 CG HIS A 23 11.958 9.159 -2.102 1.00 0.00 C ATOM 386 ND1 HIS A 23 13.117 9.436 -2.797 1.00 0.00 N ATOM 387 CD2 HIS A 23 12.199 9.521 -0.820 1.00 0.00 C ATOM 388 CE1 HIS A 23 14.015 9.939 -1.971 1.00 0.00 C ATOM 389 NE2 HIS A 23 13.483 10.002 -0.766 1.00 0.00 N ATOM 0 H HIS A 23 8.675 10.453 -3.279 1.00 0.00 H new ATOM 0 HA HIS A 23 11.181 9.580 -4.579 1.00 0.00 H new ATOM 0 HB2 HIS A 23 9.919 8.576 -2.023 1.00 0.00 H new ATOM 0 HB3 HIS A 23 10.931 7.534 -3.003 1.00 0.00 H new ATOM 0 HD2 HIS A 23 11.509 9.445 0.007 1.00 0.00 H new ATOM 0 HE1 HIS A 23 15.016 10.247 -2.237 1.00 0.00 H new ATOM 0 HE2 HIS A 23 13.950 10.352 0.071 1.00 0.00 H new ATOM 398 N TRP A 24 8.502 9.081 -5.605 1.00 0.00 N ATOM 399 CA TRP A 24 7.659 8.371 -6.552 1.00 0.00 C ATOM 400 C TRP A 24 8.384 8.265 -7.887 1.00 0.00 C ATOM 401 O TRP A 24 8.638 9.276 -8.542 1.00 0.00 O ATOM 402 CB TRP A 24 6.321 9.098 -6.726 1.00 0.00 C ATOM 403 CG TRP A 24 5.304 8.319 -7.510 1.00 0.00 C ATOM 404 CD1 TRP A 24 5.242 8.177 -8.868 1.00 0.00 C ATOM 405 CD2 TRP A 24 4.193 7.584 -6.981 1.00 0.00 C ATOM 406 NE1 TRP A 24 4.169 7.391 -9.212 1.00 0.00 N ATOM 407 CE2 TRP A 24 3.509 7.018 -8.074 1.00 0.00 C ATOM 408 CE3 TRP A 24 3.711 7.346 -5.690 1.00 0.00 C ATOM 409 CZ2 TRP A 24 2.370 6.232 -7.915 1.00 0.00 C ATOM 410 CZ3 TRP A 24 2.580 6.566 -5.535 1.00 0.00 C ATOM 411 CH2 TRP A 24 1.922 6.016 -6.642 1.00 0.00 C ATOM 0 H TRP A 24 8.341 10.088 -5.568 1.00 0.00 H new ATOM 0 HA TRP A 24 7.454 7.370 -6.173 1.00 0.00 H new ATOM 0 HB2 TRP A 24 5.911 9.325 -5.742 1.00 0.00 H new ATOM 0 HB3 TRP A 24 6.498 10.051 -7.225 1.00 0.00 H new ATOM 0 HD1 TRP A 24 5.935 8.618 -9.569 1.00 0.00 H new ATOM 0 HE1 TRP A 24 3.907 7.128 -10.162 1.00 0.00 H new ATOM 0 HE3 TRP A 24 4.213 7.764 -4.830 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 1.859 5.808 -8.767 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 2.197 6.378 -4.543 1.00 0.00 H new ATOM 0 HH2 TRP A 24 1.043 5.409 -6.487 1.00 0.00 H new ATOM 422 N ARG A 25 8.737 7.049 -8.276 1.00 0.00 N ATOM 423 CA ARG A 25 9.466 6.835 -9.515 1.00 0.00 C ATOM 424 C ARG A 25 8.507 6.542 -10.656 1.00 0.00 C ATOM 425 O ARG A 25 7.431 5.979 -10.454 1.00 0.00 O ATOM 426 CB ARG A 25 10.459 5.675 -9.391 1.00 0.00 C ATOM 427 CG ARG A 25 11.490 5.841 -8.290 1.00 0.00 C ATOM 428 CD ARG A 25 12.624 4.835 -8.444 1.00 0.00 C ATOM 429 NE ARG A 25 13.518 5.181 -9.552 1.00 0.00 N ATOM 430 CZ ARG A 25 14.304 4.311 -10.192 1.00 0.00 C ATOM 431 NH1 ARG A 25 14.227 3.013 -9.938 1.00 0.00 N ATOM 432 NH2 ARG A 25 15.143 4.746 -11.121 1.00 0.00 N ATOM 0 H ARG A 25 8.531 6.198 -7.753 1.00 0.00 H new ATOM 0 HA ARG A 25 10.019 7.751 -9.723 1.00 0.00 H new ATOM 0 HB2 ARG A 25 9.902 4.755 -9.214 1.00 0.00 H new ATOM 0 HB3 ARG A 25 10.978 5.555 -10.342 1.00 0.00 H new ATOM 0 HG2 ARG A 25 11.892 6.854 -8.314 1.00 0.00 H new ATOM 0 HG3 ARG A 25 11.013 5.710 -7.318 1.00 0.00 H new ATOM 0 HD2 ARG A 25 13.196 4.789 -7.517 1.00 0.00 H new ATOM 0 HD3 ARG A 25 12.207 3.842 -8.611 1.00 0.00 H new ATOM 0 HE ARG A 25 13.542 6.154 -9.856 1.00 0.00 H new ATOM 0 HH11 ARG A 25 13.562 2.667 -9.247 1.00 0.00 H new ATOM 0 HH12 ARG A 25 14.833 2.359 -10.434 1.00 0.00 H new ATOM 0 HH21 ARG A 25 15.186 5.740 -11.344 1.00 0.00 H new ATOM 0 HH22 ARG A 25 15.746 4.086 -11.613 1.00 0.00 H new ATOM 446 N ASN A 26 8.903 6.933 -11.854 1.00 0.00 N ATOM 447 CA ASN A 26 8.150 6.604 -13.049 1.00 0.00 C ATOM 448 C ASN A 26 9.092 6.413 -14.223 1.00 0.00 C ATOM 449 O ASN A 26 9.645 7.374 -14.759 1.00 0.00 O ATOM 450 CB ASN A 26 7.122 7.682 -13.390 1.00 0.00 C ATOM 451 CG ASN A 26 6.349 7.325 -14.645 1.00 0.00 C ATOM 452 OD1 ASN A 26 6.123 6.148 -14.932 1.00 0.00 O ATOM 453 ND2 ASN A 26 5.956 8.328 -15.410 1.00 0.00 N ATOM 0 H ASN A 26 9.746 7.481 -12.025 1.00 0.00 H new ATOM 0 HA ASN A 26 7.613 5.677 -12.850 1.00 0.00 H new ATOM 0 HB2 ASN A 26 6.430 7.805 -12.557 1.00 0.00 H new ATOM 0 HB3 ASN A 26 7.626 8.638 -13.530 1.00 0.00 H new ATOM 0 HD21 ASN A 26 5.446 8.141 -16.273 1.00 0.00 H new ATOM 0 HD22 ASN A 26 6.163 9.289 -15.137 1.00 0.00 H new ATOM 460 N ASP A 27 9.271 5.164 -14.611 1.00 0.00 N ATOM 461 CA ASP A 27 10.153 4.815 -15.715 1.00 0.00 C ATOM 462 C ASP A 27 9.393 4.843 -17.036 1.00 0.00 C ATOM 463 O ASP A 27 9.986 4.718 -18.108 1.00 0.00 O ATOM 464 CB ASP A 27 10.741 3.416 -15.474 1.00 0.00 C ATOM 465 CG ASP A 27 11.723 2.986 -16.549 1.00 0.00 C ATOM 466 OD1 ASP A 27 12.895 3.416 -16.492 1.00 0.00 O ATOM 467 OD2 ASP A 27 11.334 2.203 -17.440 1.00 0.00 O ATOM 0 H ASP A 27 8.813 4.365 -14.174 1.00 0.00 H new ATOM 0 HA ASP A 27 10.961 5.545 -15.769 1.00 0.00 H new ATOM 0 HB2 ASP A 27 11.242 3.402 -14.506 1.00 0.00 H new ATOM 0 HB3 ASP A 27 9.928 2.691 -15.423 1.00 0.00 H new ATOM 472 N GLU A 28 8.082 5.065 -16.943 1.00 0.00 N ATOM 473 CA GLU A 28 7.175 4.858 -18.068 1.00 0.00 C ATOM 474 C GLU A 28 7.248 3.401 -18.498 1.00 0.00 C ATOM 475 O GLU A 28 7.812 3.069 -19.543 1.00 0.00 O ATOM 476 CB GLU A 28 7.495 5.799 -19.234 1.00 0.00 C ATOM 477 CG GLU A 28 7.041 7.228 -18.999 1.00 0.00 C ATOM 478 CD GLU A 28 5.535 7.339 -18.873 1.00 0.00 C ATOM 479 OE1 GLU A 28 4.850 7.395 -19.914 1.00 0.00 O ATOM 480 OE2 GLU A 28 5.025 7.366 -17.738 1.00 0.00 O ATOM 0 H GLU A 28 7.623 5.391 -16.092 1.00 0.00 H new ATOM 0 HA GLU A 28 6.158 5.092 -17.752 1.00 0.00 H new ATOM 0 HB2 GLU A 28 8.570 5.792 -19.412 1.00 0.00 H new ATOM 0 HB3 GLU A 28 7.020 5.419 -20.138 1.00 0.00 H new ATOM 0 HG2 GLU A 28 7.509 7.611 -18.092 1.00 0.00 H new ATOM 0 HG3 GLU A 28 7.382 7.855 -19.823 1.00 0.00 H new ATOM 487 N PRO A 29 6.687 2.516 -17.659 1.00 0.00 N ATOM 488 CA PRO A 29 6.837 1.067 -17.800 1.00 0.00 C ATOM 489 C PRO A 29 6.370 0.533 -19.145 1.00 0.00 C ATOM 490 O PRO A 29 5.284 0.868 -19.629 1.00 0.00 O ATOM 491 CB PRO A 29 5.977 0.498 -16.670 1.00 0.00 C ATOM 492 CG PRO A 29 5.856 1.605 -15.685 1.00 0.00 C ATOM 493 CD PRO A 29 5.846 2.865 -16.498 1.00 0.00 C ATOM 0 HA PRO A 29 7.887 0.779 -17.747 1.00 0.00 H new ATOM 0 HB2 PRO A 29 4.999 0.187 -17.037 1.00 0.00 H new ATOM 0 HB3 PRO A 29 6.443 -0.380 -16.222 1.00 0.00 H new ATOM 0 HG2 PRO A 29 4.943 1.510 -15.098 1.00 0.00 H new ATOM 0 HG3 PRO A 29 6.689 1.598 -14.982 1.00 0.00 H new ATOM 0 HD2 PRO A 29 4.836 3.143 -16.800 1.00 0.00 H new ATOM 0 HD3 PRO A 29 6.256 3.708 -15.941 1.00 0.00 H new ATOM 501 N GLN A 30 7.217 -0.286 -19.747 1.00 0.00 N ATOM 502 CA GLN A 30 6.877 -1.006 -20.958 1.00 0.00 C ATOM 503 C GLN A 30 6.123 -2.282 -20.596 1.00 0.00 C ATOM 504 O GLN A 30 6.339 -2.844 -19.520 1.00 0.00 O ATOM 505 CB GLN A 30 8.153 -1.351 -21.733 1.00 0.00 C ATOM 506 CG GLN A 30 8.870 -0.140 -22.303 1.00 0.00 C ATOM 507 CD GLN A 30 8.139 0.459 -23.486 1.00 0.00 C ATOM 508 OE1 GLN A 30 7.276 1.322 -23.332 1.00 0.00 O ATOM 509 NE2 GLN A 30 8.481 0.006 -24.682 1.00 0.00 N ATOM 0 H GLN A 30 8.161 -0.469 -19.407 1.00 0.00 H new ATOM 0 HA GLN A 30 6.242 -0.381 -21.586 1.00 0.00 H new ATOM 0 HB2 GLN A 30 8.834 -1.887 -21.073 1.00 0.00 H new ATOM 0 HB3 GLN A 30 7.900 -2.029 -22.548 1.00 0.00 H new ATOM 0 HG2 GLN A 30 8.977 0.616 -21.525 1.00 0.00 H new ATOM 0 HG3 GLN A 30 9.876 -0.427 -22.608 1.00 0.00 H new ATOM 0 HE21 GLN A 30 9.202 -0.711 -24.769 1.00 0.00 H new ATOM 0 HE22 GLN A 30 8.024 0.374 -25.516 1.00 0.00 H new ATOM 518 N PRO A 31 5.229 -2.757 -21.483 1.00 0.00 N ATOM 519 CA PRO A 31 4.473 -3.997 -21.267 1.00 0.00 C ATOM 520 C PRO A 31 5.389 -5.178 -20.948 1.00 0.00 C ATOM 521 O PRO A 31 4.987 -6.119 -20.265 1.00 0.00 O ATOM 522 CB PRO A 31 3.736 -4.226 -22.595 1.00 0.00 C ATOM 523 CG PRO A 31 4.344 -3.271 -23.567 1.00 0.00 C ATOM 524 CD PRO A 31 4.870 -2.122 -22.757 1.00 0.00 C ATOM 0 HA PRO A 31 3.799 -3.915 -20.414 1.00 0.00 H new ATOM 0 HB2 PRO A 31 3.852 -5.256 -22.934 1.00 0.00 H new ATOM 0 HB3 PRO A 31 2.667 -4.045 -22.485 1.00 0.00 H new ATOM 0 HG2 PRO A 31 5.146 -3.748 -24.131 1.00 0.00 H new ATOM 0 HG3 PRO A 31 3.604 -2.930 -24.291 1.00 0.00 H new ATOM 0 HD2 PRO A 31 5.732 -1.654 -23.232 1.00 0.00 H new ATOM 0 HD3 PRO A 31 4.118 -1.344 -22.623 1.00 0.00 H new ATOM 532 N HIS A 32 6.624 -5.103 -21.439 1.00 0.00 N ATOM 533 CA HIS A 32 7.653 -6.101 -21.150 1.00 0.00 C ATOM 534 C HIS A 32 7.776 -6.356 -19.644 1.00 0.00 C ATOM 535 O HIS A 32 7.941 -7.496 -19.211 1.00 0.00 O ATOM 536 CB HIS A 32 8.998 -5.625 -21.724 1.00 0.00 C ATOM 537 CG HIS A 32 10.183 -6.458 -21.336 1.00 0.00 C ATOM 538 ND1 HIS A 32 10.664 -7.495 -22.106 1.00 0.00 N ATOM 539 CD2 HIS A 32 10.993 -6.391 -20.255 1.00 0.00 C ATOM 540 CE1 HIS A 32 11.717 -8.027 -21.514 1.00 0.00 C ATOM 541 NE2 HIS A 32 11.938 -7.374 -20.389 1.00 0.00 N ATOM 0 H HIS A 32 6.940 -4.349 -22.049 1.00 0.00 H new ATOM 0 HA HIS A 32 7.367 -7.042 -21.620 1.00 0.00 H new ATOM 0 HB2 HIS A 32 8.926 -5.607 -22.811 1.00 0.00 H new ATOM 0 HB3 HIS A 32 9.172 -4.599 -21.399 1.00 0.00 H new ATOM 0 HD2 HIS A 32 10.910 -5.691 -19.437 1.00 0.00 H new ATOM 0 HE1 HIS A 32 12.299 -8.856 -21.887 1.00 0.00 H new ATOM 0 HE2 HIS A 32 12.689 -7.569 -19.727 1.00 0.00 H new ATOM 550 N GLN A 33 7.669 -5.295 -18.853 1.00 0.00 N ATOM 551 CA GLN A 33 7.867 -5.396 -17.412 1.00 0.00 C ATOM 552 C GLN A 33 6.669 -6.026 -16.706 1.00 0.00 C ATOM 553 O GLN A 33 6.788 -6.461 -15.562 1.00 0.00 O ATOM 554 CB GLN A 33 8.168 -4.022 -16.815 1.00 0.00 C ATOM 555 CG GLN A 33 9.559 -3.512 -17.146 1.00 0.00 C ATOM 556 CD GLN A 33 9.883 -2.198 -16.468 1.00 0.00 C ATOM 557 OE1 GLN A 33 9.007 -1.362 -16.248 1.00 0.00 O ATOM 558 NE2 GLN A 33 11.143 -2.014 -16.115 1.00 0.00 N ATOM 0 H GLN A 33 7.447 -4.356 -19.184 1.00 0.00 H new ATOM 0 HA GLN A 33 8.722 -6.053 -17.252 1.00 0.00 H new ATOM 0 HB2 GLN A 33 7.431 -3.307 -17.179 1.00 0.00 H new ATOM 0 HB3 GLN A 33 8.056 -4.072 -15.732 1.00 0.00 H new ATOM 0 HG2 GLN A 33 10.295 -4.259 -16.848 1.00 0.00 H new ATOM 0 HG3 GLN A 33 9.648 -3.389 -18.225 1.00 0.00 H new ATOM 0 HE21 GLN A 33 11.839 -2.732 -16.316 1.00 0.00 H new ATOM 0 HE22 GLN A 33 11.420 -1.154 -15.642 1.00 0.00 H new ATOM 567 N PHE A 34 5.528 -6.078 -17.382 1.00 0.00 N ATOM 568 CA PHE A 34 4.323 -6.660 -16.794 1.00 0.00 C ATOM 569 C PHE A 34 4.085 -8.065 -17.334 1.00 0.00 C ATOM 570 O PHE A 34 3.650 -8.965 -16.608 1.00 0.00 O ATOM 571 CB PHE A 34 3.101 -5.788 -17.089 1.00 0.00 C ATOM 572 CG PHE A 34 3.236 -4.374 -16.608 1.00 0.00 C ATOM 573 CD1 PHE A 34 3.090 -4.065 -15.265 1.00 0.00 C ATOM 574 CD2 PHE A 34 3.510 -3.350 -17.502 1.00 0.00 C ATOM 575 CE1 PHE A 34 3.212 -2.764 -14.823 1.00 0.00 C ATOM 576 CE2 PHE A 34 3.631 -2.048 -17.065 1.00 0.00 C ATOM 577 CZ PHE A 34 3.484 -1.754 -15.724 1.00 0.00 C ATOM 0 H PHE A 34 5.409 -5.727 -18.332 1.00 0.00 H new ATOM 0 HA PHE A 34 4.471 -6.712 -15.715 1.00 0.00 H new ATOM 0 HB2 PHE A 34 2.923 -5.781 -18.164 1.00 0.00 H new ATOM 0 HB3 PHE A 34 2.224 -6.238 -16.623 1.00 0.00 H new ATOM 0 HD1 PHE A 34 2.878 -4.852 -14.556 1.00 0.00 H new ATOM 0 HD2 PHE A 34 3.630 -3.575 -18.552 1.00 0.00 H new ATOM 0 HE1 PHE A 34 3.095 -2.536 -13.774 1.00 0.00 H new ATOM 0 HE2 PHE A 34 3.841 -1.258 -17.771 1.00 0.00 H new ATOM 0 HZ PHE A 34 3.582 -0.735 -15.380 1.00 0.00 H new ATOM 587 N ASN A 35 4.392 -8.250 -18.611 1.00 0.00 N ATOM 588 CA ASN A 35 4.156 -9.521 -19.284 1.00 0.00 C ATOM 589 C ASN A 35 5.146 -10.582 -18.829 1.00 0.00 C ATOM 590 O ASN A 35 4.998 -11.760 -19.154 1.00 0.00 O ATOM 591 CB ASN A 35 4.211 -9.343 -20.804 1.00 0.00 C ATOM 592 CG ASN A 35 3.014 -8.571 -21.325 1.00 0.00 C ATOM 593 OD1 ASN A 35 1.922 -8.641 -20.759 1.00 0.00 O ATOM 594 ND2 ASN A 35 3.205 -7.820 -22.396 1.00 0.00 N ATOM 0 H ASN A 35 4.807 -7.532 -19.205 1.00 0.00 H new ATOM 0 HA ASN A 35 3.158 -9.863 -19.012 1.00 0.00 H new ATOM 0 HB2 ASN A 35 5.127 -8.819 -21.076 1.00 0.00 H new ATOM 0 HB3 ASN A 35 4.249 -10.321 -21.283 1.00 0.00 H new ATOM 0 HD21 ASN A 35 2.434 -7.274 -22.780 1.00 0.00 H new ATOM 0 HD22 ASN A 35 4.123 -7.787 -22.838 1.00 0.00 H new ATOM 601 N SER A 36 6.153 -10.163 -18.074 1.00 0.00 N ATOM 602 CA SER A 36 7.037 -11.104 -17.412 1.00 0.00 C ATOM 603 C SER A 36 6.245 -11.881 -16.367 1.00 0.00 C ATOM 604 O SER A 36 6.400 -13.094 -16.226 1.00 0.00 O ATOM 605 CB SER A 36 8.203 -10.358 -16.761 1.00 0.00 C ATOM 606 OG SER A 36 7.729 -9.299 -15.945 1.00 0.00 O ATOM 0 H SER A 36 6.375 -9.181 -17.907 1.00 0.00 H new ATOM 0 HA SER A 36 7.446 -11.802 -18.142 1.00 0.00 H new ATOM 0 HB2 SER A 36 8.794 -11.050 -16.160 1.00 0.00 H new ATOM 0 HB3 SER A 36 8.863 -9.962 -17.532 1.00 0.00 H new ATOM 0 HG SER A 36 8.490 -8.787 -15.599 1.00 0.00 H new ATOM 612 N THR A 37 5.381 -11.153 -15.660 1.00 0.00 N ATOM 613 CA THR A 37 4.460 -11.729 -14.687 1.00 0.00 C ATOM 614 C THR A 37 5.200 -12.465 -13.569 1.00 0.00 C ATOM 615 O THR A 37 5.480 -13.661 -13.664 1.00 0.00 O ATOM 616 CB THR A 37 3.452 -12.670 -15.375 1.00 0.00 C ATOM 617 OG1 THR A 37 2.858 -11.992 -16.494 1.00 0.00 O ATOM 618 CG2 THR A 37 2.358 -13.108 -14.409 1.00 0.00 C ATOM 0 H THR A 37 5.302 -10.140 -15.749 1.00 0.00 H new ATOM 0 HA THR A 37 3.913 -10.903 -14.233 1.00 0.00 H new ATOM 0 HB THR A 37 3.985 -13.559 -15.712 1.00 0.00 H new ATOM 0 HG1 THR A 37 3.038 -11.031 -16.428 1.00 0.00 H new ATOM 0 HG21 THR A 37 1.662 -13.771 -14.923 1.00 0.00 H new ATOM 0 HG22 THR A 37 2.806 -13.635 -13.567 1.00 0.00 H new ATOM 0 HG23 THR A 37 1.822 -12.232 -14.045 1.00 0.00 H new ATOM 626 N GLN A 38 5.517 -11.734 -12.516 1.00 0.00 N ATOM 627 CA GLN A 38 6.269 -12.274 -11.398 1.00 0.00 C ATOM 628 C GLN A 38 5.895 -11.506 -10.135 1.00 0.00 C ATOM 629 O GLN A 38 5.565 -10.324 -10.221 1.00 0.00 O ATOM 630 CB GLN A 38 7.767 -12.132 -11.686 1.00 0.00 C ATOM 631 CG GLN A 38 8.669 -12.893 -10.732 1.00 0.00 C ATOM 632 CD GLN A 38 10.133 -12.664 -11.026 1.00 0.00 C ATOM 633 OE1 GLN A 38 10.510 -12.400 -12.164 1.00 0.00 O ATOM 634 NE2 GLN A 38 10.966 -12.771 -10.006 1.00 0.00 N ATOM 0 H GLN A 38 5.261 -10.752 -12.412 1.00 0.00 H new ATOM 0 HA GLN A 38 6.035 -13.329 -11.256 1.00 0.00 H new ATOM 0 HB2 GLN A 38 7.962 -12.476 -12.702 1.00 0.00 H new ATOM 0 HB3 GLN A 38 8.032 -11.075 -11.650 1.00 0.00 H new ATOM 0 HG2 GLN A 38 8.453 -12.586 -9.708 1.00 0.00 H new ATOM 0 HG3 GLN A 38 8.449 -13.958 -10.799 1.00 0.00 H new ATOM 0 HE21 GLN A 38 10.609 -12.992 -9.077 1.00 0.00 H new ATOM 0 HE22 GLN A 38 11.967 -12.632 -10.148 1.00 0.00 H new ATOM 643 N PRO A 39 5.903 -12.156 -8.960 1.00 0.00 N ATOM 644 CA PRO A 39 5.658 -11.472 -7.688 1.00 0.00 C ATOM 645 C PRO A 39 6.604 -10.291 -7.509 1.00 0.00 C ATOM 646 O PRO A 39 7.825 -10.455 -7.557 1.00 0.00 O ATOM 647 CB PRO A 39 5.929 -12.552 -6.638 1.00 0.00 C ATOM 648 CG PRO A 39 5.692 -13.835 -7.355 1.00 0.00 C ATOM 649 CD PRO A 39 6.138 -13.598 -8.769 1.00 0.00 C ATOM 0 HA PRO A 39 4.652 -11.058 -7.620 1.00 0.00 H new ATOM 0 HB2 PRO A 39 6.949 -12.491 -6.260 1.00 0.00 H new ATOM 0 HB3 PRO A 39 5.264 -12.448 -5.780 1.00 0.00 H new ATOM 0 HG2 PRO A 39 6.255 -14.649 -6.898 1.00 0.00 H new ATOM 0 HG3 PRO A 39 4.639 -14.116 -7.318 1.00 0.00 H new ATOM 0 HD2 PRO A 39 7.188 -13.857 -8.909 1.00 0.00 H new ATOM 0 HD3 PRO A 39 5.565 -14.196 -9.477 1.00 0.00 H new ATOM 657 N PHE A 40 6.023 -9.100 -7.363 1.00 0.00 N ATOM 658 CA PHE A 40 6.775 -7.846 -7.194 1.00 0.00 C ATOM 659 C PHE A 40 7.562 -7.498 -8.461 1.00 0.00 C ATOM 660 O PHE A 40 8.290 -6.509 -8.487 1.00 0.00 O ATOM 661 CB PHE A 40 7.747 -7.914 -6.005 1.00 0.00 C ATOM 662 CG PHE A 40 7.177 -8.541 -4.762 1.00 0.00 C ATOM 663 CD1 PHE A 40 6.170 -7.922 -4.040 1.00 0.00 C ATOM 664 CD2 PHE A 40 7.660 -9.761 -4.321 1.00 0.00 C ATOM 665 CE1 PHE A 40 5.657 -8.514 -2.901 1.00 0.00 C ATOM 666 CE2 PHE A 40 7.154 -10.355 -3.186 1.00 0.00 C ATOM 667 CZ PHE A 40 6.152 -9.733 -2.475 1.00 0.00 C ATOM 0 H PHE A 40 5.011 -8.972 -7.358 1.00 0.00 H new ATOM 0 HA PHE A 40 6.037 -7.068 -6.998 1.00 0.00 H new ATOM 0 HB2 PHE A 40 8.630 -8.477 -6.307 1.00 0.00 H new ATOM 0 HB3 PHE A 40 8.079 -6.904 -5.766 1.00 0.00 H new ATOM 0 HD1 PHE A 40 5.783 -6.969 -4.370 1.00 0.00 H new ATOM 0 HD2 PHE A 40 8.445 -10.254 -4.875 1.00 0.00 H new ATOM 0 HE1 PHE A 40 4.871 -8.025 -2.345 1.00 0.00 H new ATOM 0 HE2 PHE A 40 7.542 -11.307 -2.854 1.00 0.00 H new ATOM 0 HZ PHE A 40 5.753 -10.197 -1.585 1.00 0.00 H new ATOM 677 N PHE A 41 7.399 -8.318 -9.505 1.00 0.00 N ATOM 678 CA PHE A 41 8.144 -8.167 -10.757 1.00 0.00 C ATOM 679 C PHE A 41 9.646 -8.081 -10.485 1.00 0.00 C ATOM 680 O PHE A 41 10.337 -7.242 -11.058 1.00 0.00 O ATOM 681 CB PHE A 41 7.666 -6.930 -11.524 1.00 0.00 C ATOM 682 CG PHE A 41 6.217 -6.985 -11.914 1.00 0.00 C ATOM 683 CD1 PHE A 41 5.788 -7.840 -12.916 1.00 0.00 C ATOM 684 CD2 PHE A 41 5.283 -6.183 -11.276 1.00 0.00 C ATOM 685 CE1 PHE A 41 4.456 -7.893 -13.277 1.00 0.00 C ATOM 686 CE2 PHE A 41 3.950 -6.232 -11.633 1.00 0.00 C ATOM 687 CZ PHE A 41 3.535 -7.087 -12.635 1.00 0.00 C ATOM 0 H PHE A 41 6.748 -9.103 -9.505 1.00 0.00 H new ATOM 0 HA PHE A 41 7.957 -9.047 -11.372 1.00 0.00 H new ATOM 0 HB2 PHE A 41 7.835 -6.045 -10.910 1.00 0.00 H new ATOM 0 HB3 PHE A 41 8.271 -6.814 -12.423 1.00 0.00 H new ATOM 0 HD1 PHE A 41 6.503 -8.472 -13.421 1.00 0.00 H new ATOM 0 HD2 PHE A 41 5.602 -5.513 -10.491 1.00 0.00 H new ATOM 0 HE1 PHE A 41 4.134 -8.564 -14.060 1.00 0.00 H new ATOM 0 HE2 PHE A 41 3.232 -5.602 -11.129 1.00 0.00 H new ATOM 0 HZ PHE A 41 2.493 -7.126 -12.916 1.00 0.00 H new ATOM 697 N MET A 42 10.141 -9.001 -9.652 1.00 0.00 N ATOM 698 CA MET A 42 11.520 -8.967 -9.141 1.00 0.00 C ATOM 699 C MET A 42 12.568 -9.339 -10.199 1.00 0.00 C ATOM 700 O MET A 42 13.599 -9.927 -9.879 1.00 0.00 O ATOM 701 CB MET A 42 11.649 -9.915 -7.944 1.00 0.00 C ATOM 702 CG MET A 42 10.817 -9.495 -6.744 1.00 0.00 C ATOM 703 SD MET A 42 10.999 -10.605 -5.333 1.00 0.00 S ATOM 704 CE MET A 42 9.976 -11.986 -5.834 1.00 0.00 C ATOM 0 H MET A 42 9.597 -9.794 -9.310 1.00 0.00 H new ATOM 0 HA MET A 42 11.719 -7.937 -8.843 1.00 0.00 H new ATOM 0 HB2 MET A 42 11.349 -10.917 -8.251 1.00 0.00 H new ATOM 0 HB3 MET A 42 12.696 -9.972 -7.648 1.00 0.00 H new ATOM 0 HG2 MET A 42 11.104 -8.487 -6.445 1.00 0.00 H new ATOM 0 HG3 MET A 42 9.767 -9.454 -7.034 1.00 0.00 H new ATOM 0 HE1 MET A 42 9.081 -12.020 -5.213 1.00 0.00 H new ATOM 0 HE2 MET A 42 9.688 -11.866 -6.878 1.00 0.00 H new ATOM 0 HE3 MET A 42 10.535 -12.914 -5.716 1.00 0.00 H new ATOM 714 N ASP A 43 12.322 -8.957 -11.442 1.00 0.00 N ATOM 715 CA ASP A 43 13.249 -9.223 -12.537 1.00 0.00 C ATOM 716 C ASP A 43 13.197 -8.094 -13.556 1.00 0.00 C ATOM 717 O ASP A 43 14.229 -7.593 -14.005 1.00 0.00 O ATOM 718 CB ASP A 43 12.930 -10.555 -13.224 1.00 0.00 C ATOM 719 CG ASP A 43 13.813 -11.690 -12.741 1.00 0.00 C ATOM 720 OD1 ASP A 43 14.902 -11.887 -13.320 1.00 0.00 O ATOM 721 OD2 ASP A 43 13.424 -12.395 -11.791 1.00 0.00 O ATOM 0 H ASP A 43 11.479 -8.456 -11.722 1.00 0.00 H new ATOM 0 HA ASP A 43 14.253 -9.286 -12.117 1.00 0.00 H new ATOM 0 HB2 ASP A 43 11.886 -10.811 -13.044 1.00 0.00 H new ATOM 0 HB3 ASP A 43 13.049 -10.441 -14.301 1.00 0.00 H new ATOM 726 N THR A 44 11.984 -7.701 -13.919 1.00 0.00 N ATOM 727 CA THR A 44 11.783 -6.604 -14.849 1.00 0.00 C ATOM 728 C THR A 44 11.756 -5.263 -14.120 1.00 0.00 C ATOM 729 O THR A 44 12.361 -4.287 -14.566 1.00 0.00 O ATOM 730 CB THR A 44 10.478 -6.802 -15.638 1.00 0.00 C ATOM 731 OG1 THR A 44 9.459 -7.343 -14.778 1.00 0.00 O ATOM 732 CG2 THR A 44 10.703 -7.729 -16.822 1.00 0.00 C ATOM 0 H THR A 44 11.122 -8.129 -13.581 1.00 0.00 H new ATOM 0 HA THR A 44 12.621 -6.597 -15.546 1.00 0.00 H new ATOM 0 HB THR A 44 10.152 -5.832 -16.014 1.00 0.00 H new ATOM 0 HG1 THR A 44 8.587 -6.974 -15.031 1.00 0.00 H new ATOM 0 HG21 THR A 44 9.768 -7.856 -17.367 1.00 0.00 H new ATOM 0 HG22 THR A 44 11.453 -7.298 -17.484 1.00 0.00 H new ATOM 0 HG23 THR A 44 11.049 -8.699 -16.464 1.00 0.00 H new ATOM 740 N MET A 45 11.071 -5.226 -12.988 1.00 0.00 N ATOM 741 CA MET A 45 10.961 -4.009 -12.198 1.00 0.00 C ATOM 742 C MET A 45 11.709 -4.177 -10.884 1.00 0.00 C ATOM 743 O MET A 45 12.339 -5.211 -10.649 1.00 0.00 O ATOM 744 CB MET A 45 9.491 -3.675 -11.926 1.00 0.00 C ATOM 745 CG MET A 45 8.698 -3.341 -13.179 1.00 0.00 C ATOM 746 SD MET A 45 6.944 -3.080 -12.848 1.00 0.00 S ATOM 747 CE MET A 45 7.013 -1.708 -11.697 1.00 0.00 C ATOM 0 H MET A 45 10.580 -6.029 -12.594 1.00 0.00 H new ATOM 0 HA MET A 45 11.404 -3.187 -12.760 1.00 0.00 H new ATOM 0 HB2 MET A 45 9.022 -4.522 -11.425 1.00 0.00 H new ATOM 0 HB3 MET A 45 9.441 -2.830 -11.239 1.00 0.00 H new ATOM 0 HG2 MET A 45 9.114 -2.444 -13.638 1.00 0.00 H new ATOM 0 HG3 MET A 45 8.810 -4.150 -13.901 1.00 0.00 H new ATOM 0 HE1 MET A 45 6.036 -1.227 -11.645 1.00 0.00 H new ATOM 0 HE2 MET A 45 7.289 -2.076 -10.709 1.00 0.00 H new ATOM 0 HE3 MET A 45 7.756 -0.986 -12.036 1.00 0.00 H new ATOM 757 N GLU A 46 11.649 -3.168 -10.034 1.00 0.00 N ATOM 758 CA GLU A 46 12.274 -3.248 -8.725 1.00 0.00 C ATOM 759 C GLU A 46 11.196 -3.289 -7.643 1.00 0.00 C ATOM 760 O GLU A 46 10.080 -2.816 -7.861 1.00 0.00 O ATOM 761 CB GLU A 46 13.227 -2.070 -8.503 1.00 0.00 C ATOM 762 CG GLU A 46 14.261 -1.888 -9.605 1.00 0.00 C ATOM 763 CD GLU A 46 15.054 -3.150 -9.878 1.00 0.00 C ATOM 764 OE1 GLU A 46 15.445 -3.836 -8.912 1.00 0.00 O ATOM 765 OE2 GLU A 46 15.280 -3.463 -11.068 1.00 0.00 O ATOM 0 H GLU A 46 11.175 -2.285 -10.225 1.00 0.00 H new ATOM 0 HA GLU A 46 12.863 -4.163 -8.670 1.00 0.00 H new ATOM 0 HB2 GLU A 46 12.641 -1.155 -8.415 1.00 0.00 H new ATOM 0 HB3 GLU A 46 13.745 -2.210 -7.554 1.00 0.00 H new ATOM 0 HG2 GLU A 46 13.759 -1.574 -10.520 1.00 0.00 H new ATOM 0 HG3 GLU A 46 14.946 -1.087 -9.326 1.00 0.00 H new ATOM 772 N PRO A 47 11.513 -3.856 -6.466 1.00 0.00 N ATOM 773 CA PRO A 47 10.528 -4.094 -5.397 1.00 0.00 C ATOM 774 C PRO A 47 9.870 -2.818 -4.864 1.00 0.00 C ATOM 775 O PRO A 47 8.750 -2.860 -4.350 1.00 0.00 O ATOM 776 CB PRO A 47 11.351 -4.759 -4.286 1.00 0.00 C ATOM 777 CG PRO A 47 12.570 -5.280 -4.962 1.00 0.00 C ATOM 778 CD PRO A 47 12.856 -4.326 -6.083 1.00 0.00 C ATOM 0 HA PRO A 47 9.698 -4.695 -5.768 1.00 0.00 H new ATOM 0 HB2 PRO A 47 11.609 -4.044 -3.505 1.00 0.00 H new ATOM 0 HB3 PRO A 47 10.791 -5.563 -3.809 1.00 0.00 H new ATOM 0 HG2 PRO A 47 13.410 -5.331 -4.269 1.00 0.00 H new ATOM 0 HG3 PRO A 47 12.406 -6.289 -5.340 1.00 0.00 H new ATOM 0 HD2 PRO A 47 13.495 -3.504 -5.761 1.00 0.00 H new ATOM 0 HD3 PRO A 47 13.364 -4.818 -6.913 1.00 0.00 H new ATOM 786 N LEU A 48 10.555 -1.689 -4.990 1.00 0.00 N ATOM 787 CA LEU A 48 10.061 -0.437 -4.426 1.00 0.00 C ATOM 788 C LEU A 48 8.961 0.159 -5.299 1.00 0.00 C ATOM 789 O LEU A 48 7.880 0.503 -4.817 1.00 0.00 O ATOM 790 CB LEU A 48 11.208 0.566 -4.268 1.00 0.00 C ATOM 791 CG LEU A 48 12.392 0.073 -3.432 1.00 0.00 C ATOM 792 CD1 LEU A 48 13.428 1.176 -3.279 1.00 0.00 C ATOM 793 CD2 LEU A 48 11.923 -0.416 -2.069 1.00 0.00 C ATOM 0 H LEU A 48 11.449 -1.613 -5.475 1.00 0.00 H new ATOM 0 HA LEU A 48 9.641 -0.652 -3.444 1.00 0.00 H new ATOM 0 HB2 LEU A 48 11.571 0.838 -5.259 1.00 0.00 H new ATOM 0 HB3 LEU A 48 10.815 1.475 -3.812 1.00 0.00 H new ATOM 0 HG LEU A 48 12.855 -0.766 -3.952 1.00 0.00 H new ATOM 0 HD11 LEU A 48 14.264 0.810 -2.682 1.00 0.00 H new ATOM 0 HD12 LEU A 48 13.789 1.476 -4.263 1.00 0.00 H new ATOM 0 HD13 LEU A 48 12.975 2.034 -2.782 1.00 0.00 H new ATOM 0 HD21 LEU A 48 12.780 -0.762 -1.492 1.00 0.00 H new ATOM 0 HD22 LEU A 48 11.434 0.401 -1.538 1.00 0.00 H new ATOM 0 HD23 LEU A 48 11.219 -1.238 -2.200 1.00 0.00 H new ATOM 805 N GLU A 49 9.239 0.260 -6.588 1.00 0.00 N ATOM 806 CA GLU A 49 8.288 0.815 -7.540 1.00 0.00 C ATOM 807 C GLU A 49 7.213 -0.199 -7.917 1.00 0.00 C ATOM 808 O GLU A 49 6.461 0.009 -8.862 1.00 0.00 O ATOM 809 CB GLU A 49 9.000 1.332 -8.796 1.00 0.00 C ATOM 810 CG GLU A 49 10.167 0.475 -9.255 1.00 0.00 C ATOM 811 CD GLU A 49 11.459 0.820 -8.539 1.00 0.00 C ATOM 812 OE1 GLU A 49 11.721 0.250 -7.460 1.00 0.00 O ATOM 813 OE2 GLU A 49 12.216 1.663 -9.054 1.00 0.00 O ATOM 0 H GLU A 49 10.122 -0.037 -7.003 1.00 0.00 H new ATOM 0 HA GLU A 49 7.798 1.657 -7.051 1.00 0.00 H new ATOM 0 HB2 GLU A 49 8.275 1.401 -9.607 1.00 0.00 H new ATOM 0 HB3 GLU A 49 9.361 2.342 -8.604 1.00 0.00 H new ATOM 0 HG2 GLU A 49 9.931 -0.575 -9.085 1.00 0.00 H new ATOM 0 HG3 GLU A 49 10.306 0.601 -10.329 1.00 0.00 H new ATOM 820 N TRP A 50 7.147 -1.300 -7.182 1.00 0.00 N ATOM 821 CA TRP A 50 6.026 -2.221 -7.294 1.00 0.00 C ATOM 822 C TRP A 50 4.810 -1.612 -6.601 1.00 0.00 C ATOM 823 O TRP A 50 3.668 -1.767 -7.045 1.00 0.00 O ATOM 824 CB TRP A 50 6.382 -3.578 -6.671 1.00 0.00 C ATOM 825 CG TRP A 50 5.188 -4.451 -6.418 1.00 0.00 C ATOM 826 CD1 TRP A 50 4.454 -5.133 -7.345 1.00 0.00 C ATOM 827 CD2 TRP A 50 4.585 -4.722 -5.146 1.00 0.00 C ATOM 828 NE1 TRP A 50 3.427 -5.806 -6.727 1.00 0.00 N ATOM 829 CE2 TRP A 50 3.488 -5.570 -5.379 1.00 0.00 C ATOM 830 CE3 TRP A 50 4.867 -4.327 -3.834 1.00 0.00 C ATOM 831 CZ2 TRP A 50 2.671 -6.027 -4.349 1.00 0.00 C ATOM 832 CZ3 TRP A 50 4.058 -4.786 -2.813 1.00 0.00 C ATOM 833 CH2 TRP A 50 2.970 -5.626 -3.076 1.00 0.00 C ATOM 0 H TRP A 50 7.856 -1.577 -6.503 1.00 0.00 H new ATOM 0 HA TRP A 50 5.795 -2.387 -8.346 1.00 0.00 H new ATOM 0 HB2 TRP A 50 7.072 -4.102 -7.332 1.00 0.00 H new ATOM 0 HB3 TRP A 50 6.906 -3.411 -5.730 1.00 0.00 H new ATOM 0 HD1 TRP A 50 4.651 -5.142 -8.407 1.00 0.00 H new ATOM 0 HE1 TRP A 50 2.732 -6.387 -7.196 1.00 0.00 H new ATOM 0 HE3 TRP A 50 5.702 -3.675 -3.623 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 1.831 -6.675 -4.548 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 4.268 -4.492 -1.795 1.00 0.00 H new ATOM 0 HH2 TRP A 50 2.353 -5.965 -2.257 1.00 0.00 H new ATOM 844 N LEU A 51 5.075 -0.895 -5.514 1.00 0.00 N ATOM 845 CA LEU A 51 4.028 -0.218 -4.763 1.00 0.00 C ATOM 846 C LEU A 51 3.455 0.924 -5.591 1.00 0.00 C ATOM 847 O LEU A 51 2.256 1.208 -5.559 1.00 0.00 O ATOM 848 CB LEU A 51 4.601 0.324 -3.453 1.00 0.00 C ATOM 849 CG LEU A 51 3.593 0.982 -2.509 1.00 0.00 C ATOM 850 CD1 LEU A 51 2.601 -0.043 -1.985 1.00 0.00 C ATOM 851 CD2 LEU A 51 4.317 1.664 -1.359 1.00 0.00 C ATOM 0 H LEU A 51 6.013 -0.768 -5.133 1.00 0.00 H new ATOM 0 HA LEU A 51 3.232 -0.927 -4.538 1.00 0.00 H new ATOM 0 HB2 LEU A 51 5.085 -0.496 -2.923 1.00 0.00 H new ATOM 0 HB3 LEU A 51 5.377 1.052 -3.691 1.00 0.00 H new ATOM 0 HG LEU A 51 3.038 1.737 -3.066 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.893 0.445 -1.315 1.00 0.00 H new ATOM 0 HD12 LEU A 51 2.062 -0.488 -2.821 1.00 0.00 H new ATOM 0 HD13 LEU A 51 3.136 -0.822 -1.442 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.588 2.128 -0.695 1.00 0.00 H new ATOM 0 HD22 LEU A 51 4.895 0.925 -0.804 1.00 0.00 H new ATOM 0 HD23 LEU A 51 4.987 2.428 -1.753 1.00 0.00 H new ATOM 863 N GLN A 52 4.329 1.556 -6.351 1.00 0.00 N ATOM 864 CA GLN A 52 3.961 2.687 -7.178 1.00 0.00 C ATOM 865 C GLN A 52 3.537 2.197 -8.556 1.00 0.00 C ATOM 866 O GLN A 52 4.018 1.167 -9.015 1.00 0.00 O ATOM 867 CB GLN A 52 5.150 3.641 -7.285 1.00 0.00 C ATOM 868 CG GLN A 52 5.782 3.945 -5.933 1.00 0.00 C ATOM 869 CD GLN A 52 7.013 4.821 -6.029 1.00 0.00 C ATOM 870 OE1 GLN A 52 7.722 4.814 -7.029 1.00 0.00 O ATOM 871 NE2 GLN A 52 7.282 5.573 -4.974 1.00 0.00 N ATOM 0 H GLN A 52 5.314 1.299 -6.412 1.00 0.00 H new ATOM 0 HA GLN A 52 3.123 3.219 -6.728 1.00 0.00 H new ATOM 0 HB2 GLN A 52 5.902 3.206 -7.943 1.00 0.00 H new ATOM 0 HB3 GLN A 52 4.823 4.573 -7.746 1.00 0.00 H new ATOM 0 HG2 GLN A 52 5.045 4.435 -5.297 1.00 0.00 H new ATOM 0 HG3 GLN A 52 6.049 3.007 -5.446 1.00 0.00 H new ATOM 0 HE21 GLN A 52 6.666 5.550 -4.161 1.00 0.00 H new ATOM 0 HE22 GLN A 52 8.105 6.176 -4.974 1.00 0.00 H new ATOM 880 N TRP A 53 2.611 2.922 -9.183 1.00 0.00 N ATOM 881 CA TRP A 53 2.110 2.594 -10.524 1.00 0.00 C ATOM 882 C TRP A 53 1.231 1.331 -10.517 1.00 0.00 C ATOM 883 O TRP A 53 0.143 1.332 -11.088 1.00 0.00 O ATOM 884 CB TRP A 53 3.268 2.439 -11.524 1.00 0.00 C ATOM 885 CG TRP A 53 2.822 2.253 -12.946 1.00 0.00 C ATOM 886 CD1 TRP A 53 2.517 1.073 -13.564 1.00 0.00 C ATOM 887 CD2 TRP A 53 2.638 3.279 -13.931 1.00 0.00 C ATOM 888 NE1 TRP A 53 2.149 1.305 -14.868 1.00 0.00 N ATOM 889 CE2 TRP A 53 2.217 2.649 -15.117 1.00 0.00 C ATOM 890 CE3 TRP A 53 2.786 4.670 -13.925 1.00 0.00 C ATOM 891 CZ2 TRP A 53 1.943 3.361 -16.283 1.00 0.00 C ATOM 892 CZ3 TRP A 53 2.516 5.374 -15.083 1.00 0.00 C ATOM 893 CH2 TRP A 53 2.097 4.718 -16.248 1.00 0.00 C ATOM 0 H TRP A 53 2.184 3.755 -8.778 1.00 0.00 H new ATOM 0 HA TRP A 53 1.485 3.428 -10.843 1.00 0.00 H new ATOM 0 HB2 TRP A 53 3.906 3.321 -11.466 1.00 0.00 H new ATOM 0 HB3 TRP A 53 3.878 1.585 -11.230 1.00 0.00 H new ATOM 0 HD1 TRP A 53 2.559 0.100 -13.096 1.00 0.00 H new ATOM 0 HE1 TRP A 53 1.870 0.591 -15.541 1.00 0.00 H new ATOM 0 HE3 TRP A 53 3.106 5.185 -13.031 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 1.620 2.858 -17.183 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 2.630 6.448 -15.090 1.00 0.00 H new ATOM 0 HH2 TRP A 53 1.892 5.297 -17.136 1.00 0.00 H new ATOM 904 N VAL A 54 1.697 0.263 -9.878 1.00 0.00 N ATOM 905 CA VAL A 54 0.945 -0.984 -9.845 1.00 0.00 C ATOM 906 C VAL A 54 0.088 -1.102 -8.587 1.00 0.00 C ATOM 907 O VAL A 54 -1.132 -0.972 -8.661 1.00 0.00 O ATOM 908 CB VAL A 54 1.859 -2.223 -9.935 1.00 0.00 C ATOM 909 CG1 VAL A 54 1.025 -3.500 -9.907 1.00 0.00 C ATOM 910 CG2 VAL A 54 2.720 -2.168 -11.188 1.00 0.00 C ATOM 0 H VAL A 54 2.586 0.236 -9.379 1.00 0.00 H new ATOM 0 HA VAL A 54 0.299 -0.955 -10.722 1.00 0.00 H new ATOM 0 HB VAL A 54 2.523 -2.226 -9.070 1.00 0.00 H new ATOM 0 HG11 VAL A 54 1.684 -4.366 -9.971 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.458 -3.544 -8.977 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.337 -3.504 -10.752 1.00 0.00 H new ATOM 0 HG21 VAL A 54 3.357 -3.052 -11.231 1.00 0.00 H new ATOM 0 HG22 VAL A 54 2.079 -2.139 -12.069 1.00 0.00 H new ATOM 0 HG23 VAL A 54 3.342 -1.273 -11.163 1.00 0.00 H new ATOM 920 N LEU A 55 0.735 -1.333 -7.441 1.00 0.00 N ATOM 921 CA LEU A 55 0.031 -1.693 -6.204 1.00 0.00 C ATOM 922 C LEU A 55 -1.110 -0.738 -5.894 1.00 0.00 C ATOM 923 O LEU A 55 -2.267 -1.142 -5.922 1.00 0.00 O ATOM 924 CB LEU A 55 1.002 -1.729 -5.017 1.00 0.00 C ATOM 925 CG LEU A 55 0.505 -2.446 -3.743 1.00 0.00 C ATOM 926 CD1 LEU A 55 -0.643 -1.717 -3.063 1.00 0.00 C ATOM 927 CD2 LEU A 55 0.099 -3.870 -4.065 1.00 0.00 C ATOM 0 H LEU A 55 1.749 -1.277 -7.343 1.00 0.00 H new ATOM 0 HA LEU A 55 -0.391 -2.685 -6.362 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.923 -2.213 -5.344 1.00 0.00 H new ATOM 0 HB3 LEU A 55 1.257 -0.703 -4.753 1.00 0.00 H new ATOM 0 HG LEU A 55 1.339 -2.451 -3.041 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -0.949 -2.269 -2.174 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -0.319 -0.717 -2.776 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -1.485 -1.642 -3.751 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -0.249 -4.363 -3.157 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -0.702 -3.862 -4.804 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.956 -4.411 -4.466 1.00 0.00 H new ATOM 939 N ILE A 56 -0.782 0.510 -5.583 1.00 0.00 N ATOM 940 CA ILE A 56 -1.785 1.454 -5.098 1.00 0.00 C ATOM 941 C ILE A 56 -2.990 1.567 -6.055 1.00 0.00 C ATOM 942 O ILE A 56 -4.133 1.418 -5.617 1.00 0.00 O ATOM 943 CB ILE A 56 -1.179 2.852 -4.812 1.00 0.00 C ATOM 944 CG1 ILE A 56 -0.066 2.735 -3.762 1.00 0.00 C ATOM 945 CG2 ILE A 56 -2.259 3.817 -4.336 1.00 0.00 C ATOM 946 CD1 ILE A 56 0.623 4.046 -3.447 1.00 0.00 C ATOM 0 H ILE A 56 0.161 0.891 -5.656 1.00 0.00 H new ATOM 0 HA ILE A 56 -2.150 1.050 -4.154 1.00 0.00 H new ATOM 0 HB ILE A 56 -0.754 3.244 -5.736 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -0.489 2.328 -2.843 1.00 0.00 H new ATOM 0 HG13 ILE A 56 0.678 2.021 -4.114 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -1.814 4.793 -4.140 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -3.025 3.915 -5.106 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -2.711 3.434 -3.421 1.00 0.00 H new ATOM 0 HD11 ILE A 56 1.396 3.880 -2.697 1.00 0.00 H new ATOM 0 HD12 ILE A 56 1.077 4.445 -4.354 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -0.108 4.758 -3.063 1.00 0.00 H new ATOM 958 N PRO A 57 -2.776 1.816 -7.369 1.00 0.00 N ATOM 959 CA PRO A 57 -3.874 1.855 -8.346 1.00 0.00 C ATOM 960 C PRO A 57 -4.623 0.523 -8.446 1.00 0.00 C ATOM 961 O PRO A 57 -5.853 0.501 -8.489 1.00 0.00 O ATOM 962 CB PRO A 57 -3.177 2.171 -9.673 1.00 0.00 C ATOM 963 CG PRO A 57 -1.884 2.792 -9.284 1.00 0.00 C ATOM 964 CD PRO A 57 -1.481 2.116 -8.010 1.00 0.00 C ATOM 0 HA PRO A 57 -4.630 2.587 -8.063 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -3.020 1.268 -10.263 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -3.774 2.850 -10.282 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -1.131 2.649 -10.059 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -1.993 3.867 -9.140 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -0.905 1.210 -8.199 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -0.863 2.763 -7.388 1.00 0.00 H new ATOM 972 N ARG A 58 -3.882 -0.581 -8.470 1.00 0.00 N ATOM 973 CA ARG A 58 -4.476 -1.914 -8.587 1.00 0.00 C ATOM 974 C ARG A 58 -5.331 -2.227 -7.366 1.00 0.00 C ATOM 975 O ARG A 58 -6.398 -2.828 -7.474 1.00 0.00 O ATOM 976 CB ARG A 58 -3.383 -2.974 -8.724 1.00 0.00 C ATOM 977 CG ARG A 58 -3.912 -4.359 -9.056 1.00 0.00 C ATOM 978 CD ARG A 58 -2.835 -5.416 -8.886 1.00 0.00 C ATOM 979 NE ARG A 58 -2.456 -5.589 -7.482 1.00 0.00 N ATOM 980 CZ ARG A 58 -1.712 -6.597 -7.029 1.00 0.00 C ATOM 981 NH1 ARG A 58 -1.203 -7.486 -7.879 1.00 0.00 N ATOM 982 NH2 ARG A 58 -1.465 -6.697 -5.727 1.00 0.00 N ATOM 0 H ARG A 58 -2.864 -0.581 -8.410 1.00 0.00 H new ATOM 0 HA ARG A 58 -5.105 -1.927 -9.477 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -2.686 -2.665 -9.503 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -2.819 -3.024 -7.792 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -4.758 -4.592 -8.410 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -4.280 -4.374 -10.082 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -3.192 -6.365 -9.285 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -1.957 -5.136 -9.467 1.00 0.00 H new ATOM 0 HE ARG A 58 -2.782 -4.895 -6.809 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -1.382 -7.396 -8.879 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -0.634 -8.257 -7.530 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -1.844 -6.004 -5.081 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -0.896 -7.466 -5.373 1.00 0.00 H new ATOM 996 N MET A 59 -4.849 -1.812 -6.204 1.00 0.00 N ATOM 997 CA MET A 59 -5.546 -2.046 -4.949 1.00 0.00 C ATOM 998 C MET A 59 -6.800 -1.185 -4.851 1.00 0.00 C ATOM 999 O MET A 59 -7.670 -1.440 -4.023 1.00 0.00 O ATOM 1000 CB MET A 59 -4.612 -1.780 -3.768 1.00 0.00 C ATOM 1001 CG MET A 59 -4.308 -3.021 -2.946 1.00 0.00 C ATOM 1002 SD MET A 59 -3.578 -4.351 -3.925 1.00 0.00 S ATOM 1003 CE MET A 59 -3.437 -5.631 -2.679 1.00 0.00 C ATOM 0 H MET A 59 -3.969 -1.306 -6.105 1.00 0.00 H new ATOM 0 HA MET A 59 -5.856 -3.090 -4.919 1.00 0.00 H new ATOM 0 HB2 MET A 59 -3.677 -1.363 -4.141 1.00 0.00 H new ATOM 0 HB3 MET A 59 -5.062 -1.026 -3.121 1.00 0.00 H new ATOM 0 HG2 MET A 59 -3.627 -2.757 -2.137 1.00 0.00 H new ATOM 0 HG3 MET A 59 -5.228 -3.379 -2.484 1.00 0.00 H new ATOM 0 HE1 MET A 59 -2.575 -6.260 -2.900 1.00 0.00 H new ATOM 0 HE2 MET A 59 -3.309 -5.172 -1.699 1.00 0.00 H new ATOM 0 HE3 MET A 59 -4.341 -6.240 -2.679 1.00 0.00 H new ATOM 1013 N HIS A 60 -6.898 -0.173 -5.705 1.00 0.00 N ATOM 1014 CA HIS A 60 -8.116 0.623 -5.793 1.00 0.00 C ATOM 1015 C HIS A 60 -9.245 -0.220 -6.367 1.00 0.00 C ATOM 1016 O HIS A 60 -10.383 -0.126 -5.921 1.00 0.00 O ATOM 1017 CB HIS A 60 -7.914 1.878 -6.643 1.00 0.00 C ATOM 1018 CG HIS A 60 -7.528 3.084 -5.846 1.00 0.00 C ATOM 1019 ND1 HIS A 60 -8.454 3.939 -5.296 1.00 0.00 N ATOM 1020 CD2 HIS A 60 -6.314 3.580 -5.509 1.00 0.00 C ATOM 1021 CE1 HIS A 60 -7.829 4.909 -4.656 1.00 0.00 C ATOM 1022 NE2 HIS A 60 -6.528 4.716 -4.769 1.00 0.00 N ATOM 0 H HIS A 60 -6.155 0.114 -6.342 1.00 0.00 H new ATOM 0 HA HIS A 60 -8.377 0.946 -4.785 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -7.142 1.682 -7.388 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -8.835 2.091 -7.186 1.00 0.00 H new ATOM 0 HD1 HIS A 60 -9.466 3.839 -5.371 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -5.355 3.160 -5.773 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -8.302 5.724 -4.128 1.00 0.00 H new ATOM 1031 N ASP A 61 -8.915 -1.064 -7.339 1.00 0.00 N ATOM 1032 CA ASP A 61 -9.884 -1.998 -7.907 1.00 0.00 C ATOM 1033 C ASP A 61 -10.407 -2.938 -6.827 1.00 0.00 C ATOM 1034 O ASP A 61 -11.572 -3.334 -6.835 1.00 0.00 O ATOM 1035 CB ASP A 61 -9.250 -2.815 -9.039 1.00 0.00 C ATOM 1036 CG ASP A 61 -9.229 -2.081 -10.365 1.00 0.00 C ATOM 1037 OD1 ASP A 61 -10.228 -2.170 -11.115 1.00 0.00 O ATOM 1038 OD2 ASP A 61 -8.212 -1.426 -10.672 1.00 0.00 O ATOM 0 H ASP A 61 -7.984 -1.121 -7.751 1.00 0.00 H new ATOM 0 HA ASP A 61 -10.714 -1.421 -8.313 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -8.230 -3.079 -8.761 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -9.800 -3.749 -9.157 1.00 0.00 H new ATOM 1043 N LEU A 62 -9.533 -3.272 -5.889 1.00 0.00 N ATOM 1044 CA LEU A 62 -9.873 -4.162 -4.788 1.00 0.00 C ATOM 1045 C LEU A 62 -10.782 -3.458 -3.774 1.00 0.00 C ATOM 1046 O LEU A 62 -11.676 -4.074 -3.188 1.00 0.00 O ATOM 1047 CB LEU A 62 -8.582 -4.637 -4.105 1.00 0.00 C ATOM 1048 CG LEU A 62 -8.760 -5.587 -2.917 1.00 0.00 C ATOM 1049 CD1 LEU A 62 -9.183 -6.973 -3.378 1.00 0.00 C ATOM 1050 CD2 LEU A 62 -7.479 -5.668 -2.107 1.00 0.00 C ATOM 0 H LEU A 62 -8.571 -2.935 -5.869 1.00 0.00 H new ATOM 0 HA LEU A 62 -10.416 -5.021 -5.183 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -7.961 -5.133 -4.851 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -8.031 -3.760 -3.764 1.00 0.00 H new ATOM 0 HG LEU A 62 -9.552 -5.187 -2.284 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -9.301 -7.624 -2.512 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -10.130 -6.905 -3.913 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -8.421 -7.384 -4.040 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -7.622 -6.347 -1.267 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -6.672 -6.038 -2.739 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -7.222 -4.677 -1.733 1.00 0.00 H new ATOM 1062 N LEU A 63 -10.567 -2.159 -3.590 1.00 0.00 N ATOM 1063 CA LEU A 63 -11.282 -1.399 -2.567 1.00 0.00 C ATOM 1064 C LEU A 63 -12.553 -0.758 -3.107 1.00 0.00 C ATOM 1065 O LEU A 63 -13.630 -0.945 -2.545 1.00 0.00 O ATOM 1066 CB LEU A 63 -10.382 -0.309 -1.996 1.00 0.00 C ATOM 1067 CG LEU A 63 -9.099 -0.807 -1.343 1.00 0.00 C ATOM 1068 CD1 LEU A 63 -8.288 0.369 -0.839 1.00 0.00 C ATOM 1069 CD2 LEU A 63 -9.411 -1.773 -0.211 1.00 0.00 C ATOM 0 H LEU A 63 -9.903 -1.609 -4.136 1.00 0.00 H new ATOM 0 HA LEU A 63 -11.563 -2.106 -1.786 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -10.119 0.381 -2.798 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -10.949 0.260 -1.259 1.00 0.00 H new ATOM 0 HG LEU A 63 -8.511 -1.344 -2.087 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -7.372 0.006 -0.373 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -8.036 1.022 -1.675 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -8.872 0.926 -0.106 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -8.481 -2.116 0.241 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -10.016 -1.268 0.542 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -9.961 -2.628 -0.604 1.00 0.00 H new ATOM 1081 N ASP A 64 -12.419 -0.005 -4.191 1.00 0.00 N ATOM 1082 CA ASP A 64 -13.534 0.762 -4.743 1.00 0.00 C ATOM 1083 C ASP A 64 -14.653 -0.154 -5.207 1.00 0.00 C ATOM 1084 O ASP A 64 -15.836 0.131 -5.002 1.00 0.00 O ATOM 1085 CB ASP A 64 -13.058 1.655 -5.894 1.00 0.00 C ATOM 1086 CG ASP A 64 -12.344 2.894 -5.391 1.00 0.00 C ATOM 1087 OD1 ASP A 64 -12.992 3.706 -4.700 1.00 0.00 O ATOM 1088 OD2 ASP A 64 -11.138 3.067 -5.683 1.00 0.00 O ATOM 0 H ASP A 64 -11.546 0.093 -4.709 1.00 0.00 H new ATOM 0 HA ASP A 64 -13.927 1.399 -3.950 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -12.388 1.088 -6.541 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -13.913 1.951 -6.502 1.00 0.00 H new ATOM 1093 N ASN A 65 -14.275 -1.272 -5.807 1.00 0.00 N ATOM 1094 CA ASN A 65 -15.247 -2.260 -6.257 1.00 0.00 C ATOM 1095 C ASN A 65 -15.665 -3.149 -5.093 1.00 0.00 C ATOM 1096 O ASN A 65 -16.537 -4.005 -5.235 1.00 0.00 O ATOM 1097 CB ASN A 65 -14.670 -3.108 -7.392 1.00 0.00 C ATOM 1098 CG ASN A 65 -14.307 -2.278 -8.607 1.00 0.00 C ATOM 1099 OD1 ASN A 65 -14.931 -1.253 -8.888 1.00 0.00 O ATOM 1100 ND2 ASN A 65 -13.295 -2.711 -9.336 1.00 0.00 N ATOM 0 H ASN A 65 -13.303 -1.519 -5.994 1.00 0.00 H new ATOM 0 HA ASN A 65 -16.125 -1.735 -6.635 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -13.783 -3.632 -7.035 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -15.396 -3.869 -7.679 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -13.005 -2.192 -10.165 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -12.803 -3.564 -9.070 1.00 0.00 H new ATOM 1107 N LYS A 66 -15.027 -2.920 -3.946 1.00 0.00 N ATOM 1108 CA LYS A 66 -15.317 -3.642 -2.711 1.00 0.00 C ATOM 1109 C LYS A 66 -15.258 -5.149 -2.911 1.00 0.00 C ATOM 1110 O LYS A 66 -16.278 -5.836 -2.928 1.00 0.00 O ATOM 1111 CB LYS A 66 -16.663 -3.202 -2.131 1.00 0.00 C ATOM 1112 CG LYS A 66 -16.574 -1.880 -1.383 1.00 0.00 C ATOM 1113 CD LYS A 66 -17.943 -1.337 -1.017 1.00 0.00 C ATOM 1114 CE LYS A 66 -18.579 -0.589 -2.177 1.00 0.00 C ATOM 1115 NZ LYS A 66 -17.797 0.621 -2.560 1.00 0.00 N ATOM 0 H LYS A 66 -14.289 -2.223 -3.848 1.00 0.00 H new ATOM 0 HA LYS A 66 -14.541 -3.390 -1.988 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -17.390 -3.110 -2.938 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -17.033 -3.973 -1.455 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -15.984 -2.016 -0.476 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -16.048 -1.150 -1.999 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -18.592 -2.159 -0.715 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -17.853 -0.670 -0.160 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -18.660 -1.255 -3.036 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -19.593 -0.294 -1.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -18.449 1.379 -2.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -17.232 0.941 -1.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -17.164 0.389 -3.352 1.00 0.00 H new ATOM 1129 N GLN A 67 -14.045 -5.641 -3.093 1.00 0.00 N ATOM 1130 CA GLN A 67 -13.799 -7.062 -3.252 1.00 0.00 C ATOM 1131 C GLN A 67 -13.275 -7.632 -1.939 1.00 0.00 C ATOM 1132 O GLN A 67 -12.791 -6.877 -1.091 1.00 0.00 O ATOM 1133 CB GLN A 67 -12.779 -7.290 -4.372 1.00 0.00 C ATOM 1134 CG GLN A 67 -13.175 -6.660 -5.698 1.00 0.00 C ATOM 1135 CD GLN A 67 -14.428 -7.273 -6.295 1.00 0.00 C ATOM 1136 OE1 GLN A 67 -14.355 -8.233 -7.061 1.00 0.00 O ATOM 1137 NE2 GLN A 67 -15.583 -6.730 -5.946 1.00 0.00 N ATOM 0 H GLN A 67 -13.204 -5.066 -3.135 1.00 0.00 H new ATOM 0 HA GLN A 67 -14.728 -7.567 -3.517 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -11.815 -6.886 -4.061 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -12.644 -8.362 -4.515 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -13.334 -5.591 -5.553 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -12.352 -6.767 -6.405 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -15.600 -5.934 -5.308 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -16.456 -7.107 -6.315 1.00 0.00 H new ATOM 1146 N PRO A 68 -13.377 -8.955 -1.740 1.00 0.00 N ATOM 1147 CA PRO A 68 -12.870 -9.604 -0.531 1.00 0.00 C ATOM 1148 C PRO A 68 -11.388 -9.325 -0.325 1.00 0.00 C ATOM 1149 O PRO A 68 -10.559 -9.670 -1.173 1.00 0.00 O ATOM 1150 CB PRO A 68 -13.094 -11.095 -0.794 1.00 0.00 C ATOM 1151 CG PRO A 68 -14.172 -11.146 -1.815 1.00 0.00 C ATOM 1152 CD PRO A 68 -13.996 -9.920 -2.665 1.00 0.00 C ATOM 0 HA PRO A 68 -13.370 -9.243 0.367 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -12.184 -11.573 -1.156 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -13.388 -11.617 0.117 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -14.097 -12.052 -2.417 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -15.155 -11.157 -1.344 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -13.359 -10.116 -3.528 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -14.949 -9.556 -3.049 1.00 0.00 H new ATOM 1160 N LEU A 69 -11.054 -8.698 0.791 1.00 0.00 N ATOM 1161 CA LEU A 69 -9.672 -8.373 1.081 1.00 0.00 C ATOM 1162 C LEU A 69 -8.879 -9.640 1.380 1.00 0.00 C ATOM 1163 O LEU A 69 -9.391 -10.570 2.006 1.00 0.00 O ATOM 1164 CB LEU A 69 -9.573 -7.388 2.251 1.00 0.00 C ATOM 1165 CG LEU A 69 -10.183 -6.006 1.993 1.00 0.00 C ATOM 1166 CD1 LEU A 69 -9.864 -5.060 3.138 1.00 0.00 C ATOM 1167 CD2 LEU A 69 -9.679 -5.430 0.680 1.00 0.00 C ATOM 0 H LEU A 69 -11.720 -8.406 1.507 1.00 0.00 H new ATOM 0 HA LEU A 69 -9.244 -7.894 0.200 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -10.065 -7.828 3.119 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -8.522 -7.261 2.510 1.00 0.00 H new ATOM 0 HG LEU A 69 -11.265 -6.121 1.926 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -10.305 -4.084 2.937 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -10.274 -5.460 4.065 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -8.783 -4.957 3.234 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -10.125 -4.449 0.518 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -8.594 -5.333 0.718 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -9.956 -6.094 -0.139 1.00 0.00 H new ATOM 1179 N PRO A 70 -7.635 -9.704 0.885 1.00 0.00 N ATOM 1180 CA PRO A 70 -6.745 -10.852 1.095 1.00 0.00 C ATOM 1181 C PRO A 70 -6.644 -11.266 2.565 1.00 0.00 C ATOM 1182 O PRO A 70 -6.572 -12.457 2.875 1.00 0.00 O ATOM 1183 CB PRO A 70 -5.396 -10.343 0.583 1.00 0.00 C ATOM 1184 CG PRO A 70 -5.740 -9.313 -0.431 1.00 0.00 C ATOM 1185 CD PRO A 70 -7.008 -8.667 0.044 1.00 0.00 C ATOM 0 HA PRO A 70 -7.106 -11.745 0.585 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -4.800 -9.919 1.391 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -4.809 -11.150 0.144 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -4.941 -8.578 -0.526 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -5.877 -9.764 -1.414 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -6.806 -7.759 0.612 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -7.651 -8.385 -0.790 1.00 0.00 H new ATOM 1193 N GLY A 71 -6.638 -10.283 3.461 1.00 0.00 N ATOM 1194 CA GLY A 71 -6.602 -10.570 4.886 1.00 0.00 C ATOM 1195 C GLY A 71 -5.191 -10.729 5.410 1.00 0.00 C ATOM 1196 O GLY A 71 -4.987 -11.050 6.583 1.00 0.00 O ATOM 0 H GLY A 71 -6.657 -9.291 3.226 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -7.099 -9.765 5.428 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -7.165 -11.482 5.084 1.00 0.00 H new ATOM 1200 N ALA A 72 -4.221 -10.486 4.541 1.00 0.00 N ATOM 1201 CA ALA A 72 -2.818 -10.645 4.871 1.00 0.00 C ATOM 1202 C ALA A 72 -1.970 -9.984 3.801 1.00 0.00 C ATOM 1203 O ALA A 72 -1.597 -10.608 2.807 1.00 0.00 O ATOM 1204 CB ALA A 72 -2.454 -12.115 5.015 1.00 0.00 C ATOM 0 H ALA A 72 -4.388 -10.172 3.585 1.00 0.00 H new ATOM 0 HA ALA A 72 -2.624 -10.164 5.830 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -1.396 -12.205 5.263 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -3.052 -12.562 5.809 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -2.652 -12.633 4.076 1.00 0.00 H new ATOM 1210 N PHE A 73 -1.714 -8.707 3.990 1.00 0.00 N ATOM 1211 CA PHE A 73 -0.923 -7.930 3.050 1.00 0.00 C ATOM 1212 C PHE A 73 0.333 -7.404 3.742 1.00 0.00 C ATOM 1213 O PHE A 73 0.885 -6.363 3.380 1.00 0.00 O ATOM 1214 CB PHE A 73 -1.766 -6.782 2.481 1.00 0.00 C ATOM 1215 CG PHE A 73 -1.109 -6.048 1.344 1.00 0.00 C ATOM 1216 CD1 PHE A 73 -0.816 -6.701 0.159 1.00 0.00 C ATOM 1217 CD2 PHE A 73 -0.784 -4.706 1.465 1.00 0.00 C ATOM 1218 CE1 PHE A 73 -0.207 -6.030 -0.884 1.00 0.00 C ATOM 1219 CE2 PHE A 73 -0.176 -4.031 0.425 1.00 0.00 C ATOM 1220 CZ PHE A 73 0.112 -4.693 -0.750 1.00 0.00 C ATOM 0 H PHE A 73 -2.045 -8.177 4.796 1.00 0.00 H new ATOM 0 HA PHE A 73 -0.614 -8.566 2.220 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -2.721 -7.181 2.139 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -1.984 -6.074 3.280 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -1.066 -7.746 0.049 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -1.009 -4.183 2.383 1.00 0.00 H new ATOM 0 HE1 PHE A 73 0.019 -6.550 -1.803 1.00 0.00 H new ATOM 0 HE2 PHE A 73 0.074 -2.986 0.532 1.00 0.00 H new ATOM 0 HZ PHE A 73 0.587 -4.166 -1.565 1.00 0.00 H new ATOM 1230 N ALA A 74 0.793 -8.146 4.736 1.00 0.00 N ATOM 1231 CA ALA A 74 2.001 -7.789 5.461 1.00 0.00 C ATOM 1232 C ALA A 74 3.243 -8.014 4.600 1.00 0.00 C ATOM 1233 O ALA A 74 3.960 -9.001 4.763 1.00 0.00 O ATOM 1234 CB ALA A 74 2.097 -8.569 6.763 1.00 0.00 C ATOM 0 H ALA A 74 0.345 -9.003 5.060 1.00 0.00 H new ATOM 0 HA ALA A 74 1.948 -6.727 5.703 1.00 0.00 H new ATOM 0 HB1 ALA A 74 3.008 -8.287 7.290 1.00 0.00 H new ATOM 0 HB2 ALA A 74 1.232 -8.343 7.387 1.00 0.00 H new ATOM 0 HB3 ALA A 74 2.119 -9.637 6.547 1.00 0.00 H new ATOM 1240 N VAL A 75 3.468 -7.104 3.662 1.00 0.00 N ATOM 1241 CA VAL A 75 4.647 -7.150 2.806 1.00 0.00 C ATOM 1242 C VAL A 75 5.794 -6.373 3.437 1.00 0.00 C ATOM 1243 O VAL A 75 6.850 -6.199 2.832 1.00 0.00 O ATOM 1244 CB VAL A 75 4.355 -6.582 1.398 1.00 0.00 C ATOM 1245 CG1 VAL A 75 3.351 -7.456 0.663 1.00 0.00 C ATOM 1246 CG2 VAL A 75 3.856 -5.146 1.484 1.00 0.00 C ATOM 0 H VAL A 75 2.845 -6.319 3.473 1.00 0.00 H new ATOM 0 HA VAL A 75 4.928 -8.198 2.701 1.00 0.00 H new ATOM 0 HB VAL A 75 5.287 -6.583 0.833 1.00 0.00 H new ATOM 0 HG11 VAL A 75 3.160 -7.038 -0.325 1.00 0.00 H new ATOM 0 HG12 VAL A 75 3.753 -8.464 0.559 1.00 0.00 H new ATOM 0 HG13 VAL A 75 2.419 -7.493 1.227 1.00 0.00 H new ATOM 0 HG21 VAL A 75 3.658 -4.769 0.481 1.00 0.00 H new ATOM 0 HG22 VAL A 75 2.938 -5.114 2.072 1.00 0.00 H new ATOM 0 HG23 VAL A 75 4.614 -4.525 1.961 1.00 0.00 H new ATOM 1256 N ALA A 76 5.572 -5.912 4.661 1.00 0.00 N ATOM 1257 CA ALA A 76 6.574 -5.152 5.396 1.00 0.00 C ATOM 1258 C ALA A 76 7.849 -5.967 5.655 1.00 0.00 C ATOM 1259 O ALA A 76 8.943 -5.441 5.482 1.00 0.00 O ATOM 1260 CB ALA A 76 5.993 -4.616 6.695 1.00 0.00 C ATOM 0 H ALA A 76 4.699 -6.053 5.169 1.00 0.00 H new ATOM 0 HA ALA A 76 6.863 -4.307 4.771 1.00 0.00 H new ATOM 0 HB1 ALA A 76 6.757 -4.051 7.230 1.00 0.00 H new ATOM 0 HB2 ALA A 76 5.148 -3.964 6.474 1.00 0.00 H new ATOM 0 HB3 ALA A 76 5.657 -5.448 7.314 1.00 0.00 H new ATOM 1266 N PRO A 77 7.749 -7.254 6.083 1.00 0.00 N ATOM 1267 CA PRO A 77 8.928 -8.122 6.217 1.00 0.00 C ATOM 1268 C PRO A 77 9.777 -8.147 4.948 1.00 0.00 C ATOM 1269 O PRO A 77 11.004 -8.038 5.004 1.00 0.00 O ATOM 1270 CB PRO A 77 8.327 -9.502 6.483 1.00 0.00 C ATOM 1271 CG PRO A 77 7.018 -9.223 7.129 1.00 0.00 C ATOM 1272 CD PRO A 77 6.516 -7.948 6.514 1.00 0.00 C ATOM 0 HA PRO A 77 9.600 -7.777 7.003 1.00 0.00 H new ATOM 0 HB2 PRO A 77 8.201 -10.064 5.558 1.00 0.00 H new ATOM 0 HB3 PRO A 77 8.971 -10.096 7.132 1.00 0.00 H new ATOM 0 HG2 PRO A 77 6.317 -10.040 6.959 1.00 0.00 H new ATOM 0 HG3 PRO A 77 7.130 -9.118 8.208 1.00 0.00 H new ATOM 0 HD2 PRO A 77 5.852 -8.144 5.672 1.00 0.00 H new ATOM 0 HD3 PRO A 77 5.952 -7.353 7.232 1.00 0.00 H new ATOM 1280 N TYR A 78 9.120 -8.283 3.802 1.00 0.00 N ATOM 1281 CA TYR A 78 9.809 -8.241 2.518 1.00 0.00 C ATOM 1282 C TYR A 78 10.374 -6.845 2.261 1.00 0.00 C ATOM 1283 O TYR A 78 11.504 -6.692 1.789 1.00 0.00 O ATOM 1284 CB TYR A 78 8.860 -8.639 1.382 1.00 0.00 C ATOM 1285 CG TYR A 78 9.487 -8.519 0.012 1.00 0.00 C ATOM 1286 CD1 TYR A 78 10.300 -9.528 -0.485 1.00 0.00 C ATOM 1287 CD2 TYR A 78 9.286 -7.390 -0.774 1.00 0.00 C ATOM 1288 CE1 TYR A 78 10.893 -9.418 -1.726 1.00 0.00 C ATOM 1289 CE2 TYR A 78 9.880 -7.271 -2.013 1.00 0.00 C ATOM 1290 CZ TYR A 78 10.682 -8.287 -2.484 1.00 0.00 C ATOM 1291 OH TYR A 78 11.283 -8.167 -3.714 1.00 0.00 O ATOM 0 H TYR A 78 8.112 -8.423 3.736 1.00 0.00 H new ATOM 0 HA TYR A 78 10.633 -8.954 2.551 1.00 0.00 H new ATOM 0 HB2 TYR A 78 8.531 -9.667 1.535 1.00 0.00 H new ATOM 0 HB3 TYR A 78 7.970 -8.011 1.424 1.00 0.00 H new ATOM 0 HD1 TYR A 78 10.471 -10.413 0.109 1.00 0.00 H new ATOM 0 HD2 TYR A 78 8.655 -6.594 -0.409 1.00 0.00 H new ATOM 0 HE1 TYR A 78 11.519 -10.214 -2.101 1.00 0.00 H new ATOM 0 HE2 TYR A 78 9.717 -6.386 -2.611 1.00 0.00 H new ATOM 0 HH TYR A 78 11.465 -9.059 -4.077 1.00 0.00 H new ATOM 1301 N TYR A 79 9.581 -5.831 2.582 1.00 0.00 N ATOM 1302 CA TYR A 79 9.967 -4.444 2.359 1.00 0.00 C ATOM 1303 C TYR A 79 11.144 -4.043 3.238 1.00 0.00 C ATOM 1304 O TYR A 79 11.908 -3.147 2.889 1.00 0.00 O ATOM 1305 CB TYR A 79 8.777 -3.517 2.598 1.00 0.00 C ATOM 1306 CG TYR A 79 8.316 -2.828 1.341 1.00 0.00 C ATOM 1307 CD1 TYR A 79 7.893 -3.563 0.244 1.00 0.00 C ATOM 1308 CD2 TYR A 79 8.320 -1.447 1.247 1.00 0.00 C ATOM 1309 CE1 TYR A 79 7.489 -2.938 -0.919 1.00 0.00 C ATOM 1310 CE2 TYR A 79 7.913 -0.811 0.091 1.00 0.00 C ATOM 1311 CZ TYR A 79 7.501 -1.561 -0.989 1.00 0.00 C ATOM 1312 OH TYR A 79 7.104 -0.934 -2.142 1.00 0.00 O ATOM 0 H TYR A 79 8.658 -5.945 3.001 1.00 0.00 H new ATOM 0 HA TYR A 79 10.285 -4.348 1.321 1.00 0.00 H new ATOM 0 HB2 TYR A 79 7.951 -4.093 3.016 1.00 0.00 H new ATOM 0 HB3 TYR A 79 9.050 -2.766 3.340 1.00 0.00 H new ATOM 0 HD1 TYR A 79 7.879 -4.641 0.300 1.00 0.00 H new ATOM 0 HD2 TYR A 79 8.647 -0.858 2.091 1.00 0.00 H new ATOM 0 HE1 TYR A 79 7.166 -3.523 -1.767 1.00 0.00 H new ATOM 0 HE2 TYR A 79 7.918 0.267 0.034 1.00 0.00 H new ATOM 0 HH TYR A 79 7.171 0.037 -2.026 1.00 0.00 H new ATOM 1322 N GLU A 80 11.286 -4.714 4.370 1.00 0.00 N ATOM 1323 CA GLU A 80 12.427 -4.507 5.251 1.00 0.00 C ATOM 1324 C GLU A 80 13.723 -4.769 4.487 1.00 0.00 C ATOM 1325 O GLU A 80 14.699 -4.027 4.611 1.00 0.00 O ATOM 1326 CB GLU A 80 12.321 -5.438 6.463 1.00 0.00 C ATOM 1327 CG GLU A 80 13.391 -5.209 7.517 1.00 0.00 C ATOM 1328 CD GLU A 80 13.315 -6.219 8.639 1.00 0.00 C ATOM 1329 OE1 GLU A 80 12.388 -6.128 9.467 1.00 0.00 O ATOM 1330 OE2 GLU A 80 14.178 -7.117 8.692 1.00 0.00 O ATOM 0 H GLU A 80 10.621 -5.412 4.703 1.00 0.00 H new ATOM 0 HA GLU A 80 12.431 -3.475 5.603 1.00 0.00 H new ATOM 0 HB2 GLU A 80 11.341 -5.309 6.922 1.00 0.00 H new ATOM 0 HB3 GLU A 80 12.379 -6.471 6.120 1.00 0.00 H new ATOM 0 HG2 GLU A 80 14.375 -5.261 7.050 1.00 0.00 H new ATOM 0 HG3 GLU A 80 13.285 -4.205 7.927 1.00 0.00 H new ATOM 1337 N MET A 81 13.707 -5.819 3.675 1.00 0.00 N ATOM 1338 CA MET A 81 14.851 -6.163 2.841 1.00 0.00 C ATOM 1339 C MET A 81 14.925 -5.231 1.640 1.00 0.00 C ATOM 1340 O MET A 81 15.996 -4.738 1.287 1.00 0.00 O ATOM 1341 CB MET A 81 14.743 -7.606 2.349 1.00 0.00 C ATOM 1342 CG MET A 81 14.643 -8.633 3.463 1.00 0.00 C ATOM 1343 SD MET A 81 14.506 -10.316 2.833 1.00 0.00 S ATOM 1344 CE MET A 81 13.001 -10.196 1.869 1.00 0.00 C ATOM 0 H MET A 81 12.911 -6.449 3.577 1.00 0.00 H new ATOM 0 HA MET A 81 15.753 -6.056 3.443 1.00 0.00 H new ATOM 0 HB2 MET A 81 13.867 -7.695 1.707 1.00 0.00 H new ATOM 0 HB3 MET A 81 15.613 -7.835 1.734 1.00 0.00 H new ATOM 0 HG2 MET A 81 15.522 -8.558 4.103 1.00 0.00 H new ATOM 0 HG3 MET A 81 13.776 -8.408 4.084 1.00 0.00 H new ATOM 0 HE1 MET A 81 12.262 -10.896 2.259 1.00 0.00 H new ATOM 0 HE2 MET A 81 12.608 -9.181 1.932 1.00 0.00 H new ATOM 0 HE3 MET A 81 13.215 -10.438 0.828 1.00 0.00 H new ATOM 1354 N ALA A 82 13.772 -4.990 1.028 1.00 0.00 N ATOM 1355 CA ALA A 82 13.689 -4.178 -0.183 1.00 0.00 C ATOM 1356 C ALA A 82 14.190 -2.755 0.052 1.00 0.00 C ATOM 1357 O ALA A 82 14.907 -2.196 -0.777 1.00 0.00 O ATOM 1358 CB ALA A 82 12.260 -4.159 -0.701 1.00 0.00 C ATOM 0 H ALA A 82 12.874 -5.348 1.353 1.00 0.00 H new ATOM 0 HA ALA A 82 14.337 -4.632 -0.933 1.00 0.00 H new ATOM 0 HB1 ALA A 82 12.208 -3.551 -1.604 1.00 0.00 H new ATOM 0 HB2 ALA A 82 11.942 -5.176 -0.930 1.00 0.00 H new ATOM 0 HB3 ALA A 82 11.603 -3.736 0.059 1.00 0.00 H new ATOM 1364 N LEU A 83 13.816 -2.179 1.185 1.00 0.00 N ATOM 1365 CA LEU A 83 14.211 -0.817 1.522 1.00 0.00 C ATOM 1366 C LEU A 83 15.625 -0.775 2.091 1.00 0.00 C ATOM 1367 O LEU A 83 16.227 0.299 2.184 1.00 0.00 O ATOM 1368 CB LEU A 83 13.223 -0.219 2.524 1.00 0.00 C ATOM 1369 CG LEU A 83 11.827 0.068 1.967 1.00 0.00 C ATOM 1370 CD1 LEU A 83 10.841 0.332 3.094 1.00 0.00 C ATOM 1371 CD2 LEU A 83 11.869 1.258 1.021 1.00 0.00 C ATOM 0 H LEU A 83 13.237 -2.635 1.890 1.00 0.00 H new ATOM 0 HA LEU A 83 14.199 -0.225 0.607 1.00 0.00 H new ATOM 0 HB2 LEU A 83 13.127 -0.902 3.368 1.00 0.00 H new ATOM 0 HB3 LEU A 83 13.641 0.710 2.912 1.00 0.00 H new ATOM 0 HG LEU A 83 11.494 -0.811 1.415 1.00 0.00 H new ATOM 0 HD11 LEU A 83 9.855 0.534 2.675 1.00 0.00 H new ATOM 0 HD12 LEU A 83 10.788 -0.542 3.743 1.00 0.00 H new ATOM 0 HD13 LEU A 83 11.172 1.194 3.673 1.00 0.00 H new ATOM 0 HD21 LEU A 83 10.869 1.450 0.633 1.00 0.00 H new ATOM 0 HD22 LEU A 83 12.225 2.137 1.558 1.00 0.00 H new ATOM 0 HD23 LEU A 83 12.544 1.041 0.193 1.00 0.00 H new ATOM 1383 N ALA A 84 16.145 -1.948 2.462 1.00 0.00 N ATOM 1384 CA ALA A 84 17.486 -2.076 3.041 1.00 0.00 C ATOM 1385 C ALA A 84 17.610 -1.287 4.347 1.00 0.00 C ATOM 1386 O ALA A 84 16.629 -0.740 4.846 1.00 0.00 O ATOM 1387 CB ALA A 84 18.549 -1.633 2.041 1.00 0.00 C ATOM 0 H ALA A 84 15.650 -2.835 2.370 1.00 0.00 H new ATOM 0 HA ALA A 84 17.647 -3.129 3.274 1.00 0.00 H new ATOM 0 HB1 ALA A 84 19.537 -1.736 2.490 1.00 0.00 H new ATOM 0 HB2 ALA A 84 18.490 -2.255 1.148 1.00 0.00 H new ATOM 0 HB3 ALA A 84 18.381 -0.591 1.769 1.00 0.00 H new ATOM 1393 N THR A 85 18.811 -1.248 4.907 1.00 0.00 N ATOM 1394 CA THR A 85 19.054 -0.512 6.131 1.00 0.00 C ATOM 1395 C THR A 85 19.623 0.869 5.830 1.00 0.00 C ATOM 1396 O THR A 85 19.702 1.734 6.702 1.00 0.00 O ATOM 1397 CB THR A 85 20.030 -1.282 7.026 1.00 0.00 C ATOM 1398 OG1 THR A 85 21.194 -1.657 6.276 1.00 0.00 O ATOM 1399 CG2 THR A 85 19.373 -2.522 7.609 1.00 0.00 C ATOM 0 H THR A 85 19.632 -1.720 4.529 1.00 0.00 H new ATOM 0 HA THR A 85 18.102 -0.394 6.648 1.00 0.00 H new ATOM 0 HB THR A 85 20.323 -0.629 7.848 1.00 0.00 H new ATOM 0 HG1 THR A 85 21.813 -2.147 6.856 1.00 0.00 H new ATOM 0 HG21 THR A 85 20.088 -3.050 8.240 1.00 0.00 H new ATOM 0 HG22 THR A 85 18.509 -2.230 8.206 1.00 0.00 H new ATOM 0 HG23 THR A 85 19.050 -3.177 6.800 1.00 0.00 H new ATOM 1407 N ASP A 86 20.009 1.063 4.575 1.00 0.00 N ATOM 1408 CA ASP A 86 20.603 2.313 4.119 1.00 0.00 C ATOM 1409 C ASP A 86 19.581 3.441 4.114 1.00 0.00 C ATOM 1410 O ASP A 86 19.934 4.614 3.983 1.00 0.00 O ATOM 1411 CB ASP A 86 21.169 2.138 2.712 1.00 0.00 C ATOM 1412 CG ASP A 86 22.308 1.144 2.653 1.00 0.00 C ATOM 1413 OD1 ASP A 86 22.043 -0.060 2.470 1.00 0.00 O ATOM 1414 OD2 ASP A 86 23.477 1.567 2.780 1.00 0.00 O ATOM 0 H ASP A 86 19.919 0.357 3.844 1.00 0.00 H new ATOM 0 HA ASP A 86 21.404 2.575 4.811 1.00 0.00 H new ATOM 0 HB2 ASP A 86 20.373 1.810 2.044 1.00 0.00 H new ATOM 0 HB3 ASP A 86 21.517 3.103 2.343 1.00 0.00 H new ATOM 1419 N HIS A 87 18.315 3.081 4.241 1.00 0.00 N ATOM 1420 CA HIS A 87 17.240 4.057 4.239 1.00 0.00 C ATOM 1421 C HIS A 87 16.457 3.966 5.551 1.00 0.00 C ATOM 1422 O HIS A 87 15.429 3.297 5.617 1.00 0.00 O ATOM 1423 CB HIS A 87 16.324 3.803 3.036 1.00 0.00 C ATOM 1424 CG HIS A 87 15.430 4.952 2.678 1.00 0.00 C ATOM 1425 ND1 HIS A 87 15.794 5.932 1.780 1.00 0.00 N ATOM 1426 CD2 HIS A 87 14.170 5.256 3.072 1.00 0.00 C ATOM 1427 CE1 HIS A 87 14.800 6.789 1.639 1.00 0.00 C ATOM 1428 NE2 HIS A 87 13.803 6.401 2.410 1.00 0.00 N ATOM 0 H HIS A 87 18.006 2.115 4.347 1.00 0.00 H new ATOM 0 HA HIS A 87 17.653 5.062 4.156 1.00 0.00 H new ATOM 0 HB2 HIS A 87 16.941 3.557 2.172 1.00 0.00 H new ATOM 0 HB3 HIS A 87 15.706 2.930 3.245 1.00 0.00 H new ATOM 0 HD2 HIS A 87 13.567 4.701 3.775 1.00 0.00 H new ATOM 0 HE1 HIS A 87 14.803 7.660 1.001 1.00 0.00 H new ATOM 0 HE2 HIS A 87 12.904 6.875 2.500 1.00 0.00 H new ATOM 1437 N PRO A 88 16.953 4.621 6.621 1.00 0.00 N ATOM 1438 CA PRO A 88 16.339 4.573 7.963 1.00 0.00 C ATOM 1439 C PRO A 88 14.873 5.010 7.982 1.00 0.00 C ATOM 1440 O PRO A 88 14.108 4.607 8.861 1.00 0.00 O ATOM 1441 CB PRO A 88 17.190 5.546 8.781 1.00 0.00 C ATOM 1442 CG PRO A 88 18.496 5.594 8.073 1.00 0.00 C ATOM 1443 CD PRO A 88 18.173 5.446 6.616 1.00 0.00 C ATOM 0 HA PRO A 88 16.324 3.554 8.349 1.00 0.00 H new ATOM 0 HB2 PRO A 88 16.729 6.532 8.828 1.00 0.00 H new ATOM 0 HB3 PRO A 88 17.309 5.201 9.808 1.00 0.00 H new ATOM 0 HG2 PRO A 88 19.012 6.535 8.266 1.00 0.00 H new ATOM 0 HG3 PRO A 88 19.155 4.794 8.411 1.00 0.00 H new ATOM 0 HD2 PRO A 88 18.003 6.412 6.142 1.00 0.00 H new ATOM 0 HD3 PRO A 88 18.984 4.962 6.071 1.00 0.00 H new ATOM 1451 N GLN A 89 14.474 5.825 7.010 1.00 0.00 N ATOM 1452 CA GLN A 89 13.088 6.279 6.917 1.00 0.00 C ATOM 1453 C GLN A 89 12.173 5.167 6.408 1.00 0.00 C ATOM 1454 O GLN A 89 10.987 5.393 6.173 1.00 0.00 O ATOM 1455 CB GLN A 89 12.970 7.497 5.999 1.00 0.00 C ATOM 1456 CG GLN A 89 13.636 8.749 6.540 1.00 0.00 C ATOM 1457 CD GLN A 89 13.488 9.926 5.598 1.00 0.00 C ATOM 1458 OE1 GLN A 89 13.408 9.755 4.381 1.00 0.00 O ATOM 1459 NE2 GLN A 89 13.438 11.125 6.147 1.00 0.00 N ATOM 0 H GLN A 89 15.087 6.184 6.278 1.00 0.00 H new ATOM 0 HA GLN A 89 12.773 6.559 7.922 1.00 0.00 H new ATOM 0 HB2 GLN A 89 13.410 7.253 5.032 1.00 0.00 H new ATOM 0 HB3 GLN A 89 11.915 7.706 5.825 1.00 0.00 H new ATOM 0 HG2 GLN A 89 13.200 9.002 7.507 1.00 0.00 H new ATOM 0 HG3 GLN A 89 14.695 8.552 6.709 1.00 0.00 H new ATOM 0 HE21 GLN A 89 13.508 11.226 7.160 1.00 0.00 H new ATOM 0 HE22 GLN A 89 13.330 11.951 5.559 1.00 0.00 H new ATOM 1468 N ARG A 90 12.728 3.969 6.243 1.00 0.00 N ATOM 1469 CA ARG A 90 11.958 2.821 5.783 1.00 0.00 C ATOM 1470 C ARG A 90 10.834 2.497 6.763 1.00 0.00 C ATOM 1471 O ARG A 90 9.778 2.003 6.368 1.00 0.00 O ATOM 1472 CB ARG A 90 12.865 1.597 5.609 1.00 0.00 C ATOM 1473 CG ARG A 90 13.467 1.083 6.907 1.00 0.00 C ATOM 1474 CD ARG A 90 14.312 -0.157 6.678 1.00 0.00 C ATOM 1475 NE ARG A 90 14.723 -0.773 7.937 1.00 0.00 N ATOM 1476 CZ ARG A 90 15.340 -1.950 8.031 1.00 0.00 C ATOM 1477 NH1 ARG A 90 15.691 -2.610 6.932 1.00 0.00 N ATOM 1478 NH2 ARG A 90 15.622 -2.458 9.222 1.00 0.00 N ATOM 0 H ARG A 90 13.712 3.770 6.422 1.00 0.00 H new ATOM 0 HA ARG A 90 11.520 3.075 4.818 1.00 0.00 H new ATOM 0 HB2 ARG A 90 12.291 0.795 5.144 1.00 0.00 H new ATOM 0 HB3 ARG A 90 13.672 1.851 4.922 1.00 0.00 H new ATOM 0 HG2 ARG A 90 14.080 1.863 7.359 1.00 0.00 H new ATOM 0 HG3 ARG A 90 12.669 0.855 7.614 1.00 0.00 H new ATOM 0 HD2 ARG A 90 13.747 -0.878 6.088 1.00 0.00 H new ATOM 0 HD3 ARG A 90 15.196 0.107 6.097 1.00 0.00 H new ATOM 0 HE ARG A 90 14.525 -0.269 8.801 1.00 0.00 H new ATOM 0 HH11 ARG A 90 15.488 -2.216 6.014 1.00 0.00 H new ATOM 0 HH12 ARG A 90 16.163 -3.511 7.007 1.00 0.00 H new ATOM 0 HH21 ARG A 90 15.367 -1.948 10.068 1.00 0.00 H new ATOM 0 HH22 ARG A 90 16.094 -3.359 9.293 1.00 0.00 H new ATOM 1492 N ALA A 91 11.066 2.801 8.039 1.00 0.00 N ATOM 1493 CA ALA A 91 10.094 2.529 9.091 1.00 0.00 C ATOM 1494 C ALA A 91 8.781 3.264 8.839 1.00 0.00 C ATOM 1495 O ALA A 91 7.716 2.791 9.227 1.00 0.00 O ATOM 1496 CB ALA A 91 10.668 2.916 10.447 1.00 0.00 C ATOM 0 H ALA A 91 11.926 3.239 8.369 1.00 0.00 H new ATOM 0 HA ALA A 91 9.882 1.460 9.086 1.00 0.00 H new ATOM 0 HB1 ALA A 91 9.934 2.709 11.225 1.00 0.00 H new ATOM 0 HB2 ALA A 91 11.572 2.338 10.638 1.00 0.00 H new ATOM 0 HB3 ALA A 91 10.910 3.979 10.450 1.00 0.00 H new ATOM 1502 N LEU A 92 8.861 4.410 8.170 1.00 0.00 N ATOM 1503 CA LEU A 92 7.675 5.198 7.853 1.00 0.00 C ATOM 1504 C LEU A 92 6.782 4.443 6.877 1.00 0.00 C ATOM 1505 O LEU A 92 5.566 4.375 7.051 1.00 0.00 O ATOM 1506 CB LEU A 92 8.074 6.552 7.258 1.00 0.00 C ATOM 1507 CG LEU A 92 8.955 7.424 8.155 1.00 0.00 C ATOM 1508 CD1 LEU A 92 9.336 8.709 7.440 1.00 0.00 C ATOM 1509 CD2 LEU A 92 8.243 7.733 9.463 1.00 0.00 C ATOM 0 H LEU A 92 9.736 4.814 7.837 1.00 0.00 H new ATOM 0 HA LEU A 92 7.121 5.371 8.776 1.00 0.00 H new ATOM 0 HB2 LEU A 92 8.599 6.377 6.319 1.00 0.00 H new ATOM 0 HB3 LEU A 92 7.167 7.106 7.017 1.00 0.00 H new ATOM 0 HG LEU A 92 9.868 6.873 8.382 1.00 0.00 H new ATOM 0 HD11 LEU A 92 9.962 9.317 8.093 1.00 0.00 H new ATOM 0 HD12 LEU A 92 9.886 8.470 6.530 1.00 0.00 H new ATOM 0 HD13 LEU A 92 8.434 9.264 7.184 1.00 0.00 H new ATOM 0 HD21 LEU A 92 8.884 8.354 10.088 1.00 0.00 H new ATOM 0 HD22 LEU A 92 7.314 8.264 9.255 1.00 0.00 H new ATOM 0 HD23 LEU A 92 8.019 6.802 9.984 1.00 0.00 H new ATOM 1521 N ILE A 93 7.403 3.860 5.858 1.00 0.00 N ATOM 1522 CA ILE A 93 6.677 3.092 4.858 1.00 0.00 C ATOM 1523 C ILE A 93 6.199 1.771 5.454 1.00 0.00 C ATOM 1524 O ILE A 93 5.079 1.327 5.196 1.00 0.00 O ATOM 1525 CB ILE A 93 7.559 2.811 3.619 1.00 0.00 C ATOM 1526 CG1 ILE A 93 8.098 4.127 3.047 1.00 0.00 C ATOM 1527 CG2 ILE A 93 6.771 2.049 2.561 1.00 0.00 C ATOM 1528 CD1 ILE A 93 9.049 3.949 1.882 1.00 0.00 C ATOM 0 H ILE A 93 8.410 3.906 5.704 1.00 0.00 H new ATOM 0 HA ILE A 93 5.817 3.683 4.543 1.00 0.00 H new ATOM 0 HB ILE A 93 8.403 2.192 3.925 1.00 0.00 H new ATOM 0 HG12 ILE A 93 7.258 4.743 2.726 1.00 0.00 H new ATOM 0 HG13 ILE A 93 8.609 4.673 3.840 1.00 0.00 H new ATOM 0 HG21 ILE A 93 7.409 1.861 1.697 1.00 0.00 H new ATOM 0 HG22 ILE A 93 6.431 1.100 2.974 1.00 0.00 H new ATOM 0 HG23 ILE A 93 5.909 2.641 2.253 1.00 0.00 H new ATOM 0 HD11 ILE A 93 9.386 4.926 1.535 1.00 0.00 H new ATOM 0 HD12 ILE A 93 9.910 3.361 2.201 1.00 0.00 H new ATOM 0 HD13 ILE A 93 8.537 3.432 1.070 1.00 0.00 H new ATOM 1540 N LEU A 94 7.054 1.159 6.265 1.00 0.00 N ATOM 1541 CA LEU A 94 6.727 -0.096 6.927 1.00 0.00 C ATOM 1542 C LEU A 94 5.527 0.071 7.848 1.00 0.00 C ATOM 1543 O LEU A 94 4.617 -0.755 7.846 1.00 0.00 O ATOM 1544 CB LEU A 94 7.925 -0.610 7.727 1.00 0.00 C ATOM 1545 CG LEU A 94 9.135 -1.020 6.890 1.00 0.00 C ATOM 1546 CD1 LEU A 94 10.254 -1.529 7.786 1.00 0.00 C ATOM 1547 CD2 LEU A 94 8.738 -2.077 5.873 1.00 0.00 C ATOM 0 H LEU A 94 7.985 1.516 6.480 1.00 0.00 H new ATOM 0 HA LEU A 94 6.476 -0.824 6.156 1.00 0.00 H new ATOM 0 HB2 LEU A 94 8.234 0.165 8.428 1.00 0.00 H new ATOM 0 HB3 LEU A 94 7.606 -1.467 8.320 1.00 0.00 H new ATOM 0 HG LEU A 94 9.500 -0.145 6.353 1.00 0.00 H new ATOM 0 HD11 LEU A 94 11.108 -1.817 7.173 1.00 0.00 H new ATOM 0 HD12 LEU A 94 10.553 -0.742 8.478 1.00 0.00 H new ATOM 0 HD13 LEU A 94 9.904 -2.394 8.350 1.00 0.00 H new ATOM 0 HD21 LEU A 94 9.610 -2.360 5.283 1.00 0.00 H new ATOM 0 HD22 LEU A 94 8.351 -2.954 6.392 1.00 0.00 H new ATOM 0 HD23 LEU A 94 7.968 -1.676 5.213 1.00 0.00 H new ATOM 1559 N ALA A 95 5.532 1.146 8.629 1.00 0.00 N ATOM 1560 CA ALA A 95 4.436 1.434 9.545 1.00 0.00 C ATOM 1561 C ALA A 95 3.123 1.578 8.791 1.00 0.00 C ATOM 1562 O ALA A 95 2.101 1.023 9.196 1.00 0.00 O ATOM 1563 CB ALA A 95 4.724 2.696 10.342 1.00 0.00 C ATOM 0 H ALA A 95 6.285 1.833 8.645 1.00 0.00 H new ATOM 0 HA ALA A 95 4.346 0.596 10.236 1.00 0.00 H new ATOM 0 HB1 ALA A 95 3.895 2.895 11.021 1.00 0.00 H new ATOM 0 HB2 ALA A 95 5.640 2.562 10.918 1.00 0.00 H new ATOM 0 HB3 ALA A 95 4.845 3.538 9.660 1.00 0.00 H new ATOM 1569 N GLU A 96 3.162 2.305 7.681 1.00 0.00 N ATOM 1570 CA GLU A 96 1.972 2.525 6.874 1.00 0.00 C ATOM 1571 C GLU A 96 1.469 1.205 6.294 1.00 0.00 C ATOM 1572 O GLU A 96 0.266 0.943 6.269 1.00 0.00 O ATOM 1573 CB GLU A 96 2.267 3.518 5.748 1.00 0.00 C ATOM 1574 CG GLU A 96 1.016 4.074 5.093 1.00 0.00 C ATOM 1575 CD GLU A 96 0.234 4.986 6.016 1.00 0.00 C ATOM 1576 OE1 GLU A 96 -0.319 4.494 7.018 1.00 0.00 O ATOM 1577 OE2 GLU A 96 0.176 6.204 5.750 1.00 0.00 O ATOM 0 H GLU A 96 4.005 2.751 7.321 1.00 0.00 H new ATOM 0 HA GLU A 96 1.195 2.943 7.514 1.00 0.00 H new ATOM 0 HB2 GLU A 96 2.857 4.343 6.146 1.00 0.00 H new ATOM 0 HB3 GLU A 96 2.877 3.026 4.990 1.00 0.00 H new ATOM 0 HG2 GLU A 96 1.294 4.624 4.194 1.00 0.00 H new ATOM 0 HG3 GLU A 96 0.378 3.249 4.777 1.00 0.00 H new ATOM 1584 N LEU A 97 2.399 0.368 5.843 1.00 0.00 N ATOM 1585 CA LEU A 97 2.053 -0.941 5.296 1.00 0.00 C ATOM 1586 C LEU A 97 1.420 -1.834 6.361 1.00 0.00 C ATOM 1587 O LEU A 97 0.507 -2.604 6.067 1.00 0.00 O ATOM 1588 CB LEU A 97 3.286 -1.626 4.698 1.00 0.00 C ATOM 1589 CG LEU A 97 3.808 -1.014 3.397 1.00 0.00 C ATOM 1590 CD1 LEU A 97 5.081 -1.720 2.959 1.00 0.00 C ATOM 1591 CD2 LEU A 97 2.752 -1.101 2.301 1.00 0.00 C ATOM 0 H LEU A 97 3.398 0.573 5.845 1.00 0.00 H new ATOM 0 HA LEU A 97 1.323 -0.783 4.502 1.00 0.00 H new ATOM 0 HB2 LEU A 97 4.087 -1.605 5.437 1.00 0.00 H new ATOM 0 HB3 LEU A 97 3.047 -2.674 4.517 1.00 0.00 H new ATOM 0 HG LEU A 97 4.032 0.038 3.576 1.00 0.00 H new ATOM 0 HD11 LEU A 97 5.443 -1.276 2.032 1.00 0.00 H new ATOM 0 HD12 LEU A 97 5.841 -1.614 3.733 1.00 0.00 H new ATOM 0 HD13 LEU A 97 4.873 -2.778 2.797 1.00 0.00 H new ATOM 0 HD21 LEU A 97 3.143 -0.660 1.384 1.00 0.00 H new ATOM 0 HD22 LEU A 97 2.498 -2.146 2.122 1.00 0.00 H new ATOM 0 HD23 LEU A 97 1.859 -0.559 2.612 1.00 0.00 H new ATOM 1603 N GLU A 98 1.900 -1.732 7.597 1.00 0.00 N ATOM 1604 CA GLU A 98 1.315 -2.492 8.697 1.00 0.00 C ATOM 1605 C GLU A 98 -0.096 -2.001 9.011 1.00 0.00 C ATOM 1606 O GLU A 98 -0.989 -2.805 9.277 1.00 0.00 O ATOM 1607 CB GLU A 98 2.194 -2.424 9.946 1.00 0.00 C ATOM 1608 CG GLU A 98 3.548 -3.083 9.764 1.00 0.00 C ATOM 1609 CD GLU A 98 4.278 -3.271 11.073 1.00 0.00 C ATOM 1610 OE1 GLU A 98 4.876 -2.294 11.574 1.00 0.00 O ATOM 1611 OE2 GLU A 98 4.261 -4.398 11.608 1.00 0.00 O ATOM 0 H GLU A 98 2.685 -1.136 7.861 1.00 0.00 H new ATOM 0 HA GLU A 98 1.254 -3.533 8.381 1.00 0.00 H new ATOM 0 HB2 GLU A 98 2.340 -1.380 10.222 1.00 0.00 H new ATOM 0 HB3 GLU A 98 1.673 -2.903 10.775 1.00 0.00 H new ATOM 0 HG2 GLU A 98 3.416 -4.052 9.283 1.00 0.00 H new ATOM 0 HG3 GLU A 98 4.158 -2.475 9.095 1.00 0.00 H new ATOM 1618 N LYS A 99 -0.298 -0.684 8.972 1.00 0.00 N ATOM 1619 CA LYS A 99 -1.641 -0.124 9.116 1.00 0.00 C ATOM 1620 C LYS A 99 -2.545 -0.662 8.020 1.00 0.00 C ATOM 1621 O LYS A 99 -3.692 -1.037 8.267 1.00 0.00 O ATOM 1622 CB LYS A 99 -1.627 1.405 9.038 1.00 0.00 C ATOM 1623 CG LYS A 99 -1.554 2.107 10.384 1.00 0.00 C ATOM 1624 CD LYS A 99 -0.169 2.036 10.995 1.00 0.00 C ATOM 1625 CE LYS A 99 -0.083 2.871 12.262 1.00 0.00 C ATOM 1626 NZ LYS A 99 -0.448 4.293 12.014 1.00 0.00 N ATOM 0 H LYS A 99 0.441 0.007 8.844 1.00 0.00 H new ATOM 0 HA LYS A 99 -2.015 -0.418 10.096 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -0.775 1.717 8.434 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -2.525 1.737 8.518 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -1.842 3.151 10.263 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -2.274 1.655 11.067 1.00 0.00 H new ATOM 0 HD2 LYS A 99 0.078 0.999 11.222 1.00 0.00 H new ATOM 0 HD3 LYS A 99 0.568 2.388 10.273 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -0.746 2.452 13.019 1.00 0.00 H new ATOM 0 HE3 LYS A 99 0.929 2.820 12.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 0.178 4.913 12.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -0.343 4.507 11.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -1.435 4.453 12.301 1.00 0.00 H new ATOM 1640 N LEU A 100 -2.008 -0.693 6.810 1.00 0.00 N ATOM 1641 CA LEU A 100 -2.735 -1.179 5.652 1.00 0.00 C ATOM 1642 C LEU A 100 -3.153 -2.633 5.862 1.00 0.00 C ATOM 1643 O LEU A 100 -4.327 -2.976 5.718 1.00 0.00 O ATOM 1644 CB LEU A 100 -1.858 -1.048 4.401 1.00 0.00 C ATOM 1645 CG LEU A 100 -2.606 -1.070 3.069 1.00 0.00 C ATOM 1646 CD1 LEU A 100 -3.538 0.127 2.964 1.00 0.00 C ATOM 1647 CD2 LEU A 100 -1.624 -1.084 1.907 1.00 0.00 C ATOM 0 H LEU A 100 -1.058 -0.382 6.605 1.00 0.00 H new ATOM 0 HA LEU A 100 -3.636 -0.580 5.517 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -1.297 -0.116 4.468 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -1.130 -1.859 4.402 1.00 0.00 H new ATOM 0 HG LEU A 100 -3.205 -1.979 3.024 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -4.063 0.096 2.009 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -4.262 0.097 3.778 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -2.957 1.047 3.029 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -2.174 -1.100 0.966 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -1.000 -0.192 1.948 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -0.994 -1.971 1.974 1.00 0.00 H new ATOM 1659 N ASP A 101 -2.190 -3.473 6.234 1.00 0.00 N ATOM 1660 CA ASP A 101 -2.442 -4.896 6.473 1.00 0.00 C ATOM 1661 C ASP A 101 -3.495 -5.104 7.558 1.00 0.00 C ATOM 1662 O ASP A 101 -4.372 -5.959 7.428 1.00 0.00 O ATOM 1663 CB ASP A 101 -1.150 -5.613 6.865 1.00 0.00 C ATOM 1664 CG ASP A 101 -1.399 -7.033 7.338 1.00 0.00 C ATOM 1665 OD1 ASP A 101 -1.753 -7.893 6.504 1.00 0.00 O ATOM 1666 OD2 ASP A 101 -1.233 -7.298 8.548 1.00 0.00 O ATOM 0 H ASP A 101 -1.220 -3.192 6.378 1.00 0.00 H new ATOM 0 HA ASP A 101 -2.821 -5.320 5.543 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -0.473 -5.631 6.011 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -0.651 -5.052 7.655 1.00 0.00 H new ATOM 1671 N ALA A 102 -3.415 -4.304 8.617 1.00 0.00 N ATOM 1672 CA ALA A 102 -4.370 -4.387 9.720 1.00 0.00 C ATOM 1673 C ALA A 102 -5.794 -4.127 9.237 1.00 0.00 C ATOM 1674 O ALA A 102 -6.765 -4.613 9.821 1.00 0.00 O ATOM 1675 CB ALA A 102 -3.998 -3.403 10.818 1.00 0.00 C ATOM 0 H ALA A 102 -2.697 -3.589 8.736 1.00 0.00 H new ATOM 0 HA ALA A 102 -4.329 -5.399 10.124 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -4.719 -3.477 11.632 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -3.001 -3.636 11.193 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -4.007 -2.390 10.417 1.00 0.00 H new ATOM 1681 N LEU A 103 -5.914 -3.361 8.164 1.00 0.00 N ATOM 1682 CA LEU A 103 -7.210 -3.078 7.571 1.00 0.00 C ATOM 1683 C LEU A 103 -7.673 -4.248 6.714 1.00 0.00 C ATOM 1684 O LEU A 103 -8.860 -4.563 6.667 1.00 0.00 O ATOM 1685 CB LEU A 103 -7.138 -1.807 6.730 1.00 0.00 C ATOM 1686 CG LEU A 103 -6.750 -0.546 7.497 1.00 0.00 C ATOM 1687 CD1 LEU A 103 -6.600 0.621 6.543 1.00 0.00 C ATOM 1688 CD2 LEU A 103 -7.782 -0.231 8.567 1.00 0.00 C ATOM 0 H LEU A 103 -5.127 -2.923 7.685 1.00 0.00 H new ATOM 0 HA LEU A 103 -7.932 -2.930 8.374 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -6.418 -1.961 5.927 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -8.108 -1.644 6.261 1.00 0.00 H new ATOM 0 HG LEU A 103 -5.793 -0.720 7.988 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -6.323 1.515 7.102 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -5.824 0.396 5.812 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -7.545 0.794 6.028 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -7.487 0.671 9.103 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -8.754 -0.074 8.100 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -7.846 -1.064 9.267 1.00 0.00 H new ATOM 1700 N PHE A 104 -6.732 -4.901 6.043 1.00 0.00 N ATOM 1701 CA PHE A 104 -7.047 -6.086 5.253 1.00 0.00 C ATOM 1702 C PHE A 104 -7.534 -7.212 6.155 1.00 0.00 C ATOM 1703 O PHE A 104 -8.366 -8.025 5.757 1.00 0.00 O ATOM 1704 CB PHE A 104 -5.829 -6.552 4.450 1.00 0.00 C ATOM 1705 CG PHE A 104 -5.513 -5.684 3.263 1.00 0.00 C ATOM 1706 CD1 PHE A 104 -6.178 -5.868 2.064 1.00 0.00 C ATOM 1707 CD2 PHE A 104 -4.553 -4.691 3.343 1.00 0.00 C ATOM 1708 CE1 PHE A 104 -5.892 -5.078 0.967 1.00 0.00 C ATOM 1709 CE2 PHE A 104 -4.265 -3.896 2.250 1.00 0.00 C ATOM 1710 CZ PHE A 104 -4.935 -4.090 1.061 1.00 0.00 C ATOM 0 H PHE A 104 -5.748 -4.632 6.030 1.00 0.00 H new ATOM 0 HA PHE A 104 -7.840 -5.821 4.554 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -4.961 -6.580 5.109 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -6.001 -7.572 4.106 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -6.930 -6.639 1.984 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -4.022 -4.535 4.271 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -6.418 -5.234 0.037 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -3.515 -3.123 2.327 1.00 0.00 H new ATOM 0 HZ PHE A 104 -4.711 -3.470 0.206 1.00 0.00 H new ATOM 1720 N ALA A 105 -7.022 -7.239 7.379 1.00 0.00 N ATOM 1721 CA ALA A 105 -7.408 -8.250 8.357 1.00 0.00 C ATOM 1722 C ALA A 105 -8.779 -7.947 8.959 1.00 0.00 C ATOM 1723 O ALA A 105 -9.340 -8.763 9.692 1.00 0.00 O ATOM 1724 CB ALA A 105 -6.356 -8.348 9.452 1.00 0.00 C ATOM 0 H ALA A 105 -6.334 -6.568 7.720 1.00 0.00 H new ATOM 0 HA ALA A 105 -7.476 -9.209 7.843 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -6.654 -9.106 10.177 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -5.398 -8.624 9.012 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -6.261 -7.385 9.953 1.00 0.00 H new ATOM 1730 N ASP A 106 -9.316 -6.772 8.651 1.00 0.00 N ATOM 1731 CA ASP A 106 -10.633 -6.382 9.147 1.00 0.00 C ATOM 1732 C ASP A 106 -11.725 -6.942 8.240 1.00 0.00 C ATOM 1733 O ASP A 106 -12.871 -7.112 8.653 1.00 0.00 O ATOM 1734 CB ASP A 106 -10.734 -4.856 9.242 1.00 0.00 C ATOM 1735 CG ASP A 106 -12.052 -4.384 9.827 1.00 0.00 C ATOM 1736 OD1 ASP A 106 -12.380 -4.772 10.964 1.00 0.00 O ATOM 1737 OD2 ASP A 106 -12.756 -3.598 9.160 1.00 0.00 O ATOM 0 H ASP A 106 -8.862 -6.074 8.062 1.00 0.00 H new ATOM 0 HA ASP A 106 -10.771 -6.796 10.146 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -9.915 -4.481 9.856 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -10.610 -4.427 8.248 1.00 0.00 H new ATOM 1742 N ASP A 107 -11.355 -7.253 7.003 1.00 0.00 N ATOM 1743 CA ASP A 107 -12.280 -7.869 6.053 1.00 0.00 C ATOM 1744 C ASP A 107 -11.977 -9.360 5.949 1.00 0.00 C ATOM 1745 O ASP A 107 -12.255 -10.006 4.947 1.00 0.00 O ATOM 1746 CB ASP A 107 -12.163 -7.192 4.678 1.00 0.00 C ATOM 1747 CG ASP A 107 -13.267 -7.587 3.704 1.00 0.00 C ATOM 1748 OD1 ASP A 107 -14.401 -7.091 3.857 1.00 0.00 O ATOM 1749 OD2 ASP A 107 -13.005 -8.382 2.770 1.00 0.00 O ATOM 0 H ASP A 107 -10.419 -7.089 6.632 1.00 0.00 H new ATOM 0 HA ASP A 107 -13.303 -7.738 6.406 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -12.180 -6.111 4.813 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -11.197 -7.444 4.240 1.00 0.00 H new ATOM 1754 N ALA A 108 -11.408 -9.904 7.013 1.00 0.00 N ATOM 1755 CA ALA A 108 -11.027 -11.309 7.043 1.00 0.00 C ATOM 1756 C ALA A 108 -12.252 -12.207 7.174 1.00 0.00 C ATOM 1757 O ALA A 108 -13.310 -11.768 7.631 1.00 0.00 O ATOM 1758 CB ALA A 108 -10.051 -11.570 8.179 1.00 0.00 C ATOM 0 H ALA A 108 -11.199 -9.393 7.870 1.00 0.00 H new ATOM 0 HA ALA A 108 -10.536 -11.546 6.099 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -9.776 -12.625 8.188 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -9.157 -10.963 8.037 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -10.519 -11.309 9.128 1.00 0.00 H new ATOM 1764 N SER A 109 -12.094 -13.467 6.793 1.00 0.00 N ATOM 1765 CA SER A 109 -13.191 -14.428 6.809 1.00 0.00 C ATOM 1766 C SER A 109 -13.423 -14.983 8.218 1.00 0.00 C ATOM 1767 O SER A 109 -13.674 -16.175 8.394 1.00 0.00 O ATOM 1768 CB SER A 109 -12.869 -15.572 5.844 1.00 0.00 C ATOM 1769 OG SER A 109 -12.490 -15.078 4.564 1.00 0.00 O ATOM 0 H SER A 109 -11.208 -13.851 6.466 1.00 0.00 H new ATOM 0 HA SER A 109 -14.104 -13.921 6.496 1.00 0.00 H new ATOM 0 HB2 SER A 109 -12.063 -16.181 6.254 1.00 0.00 H new ATOM 0 HB3 SER A 109 -13.739 -16.221 5.743 1.00 0.00 H new ATOM 0 HG SER A 109 -13.089 -14.347 4.305 1.00 0.00 H new ATOM 1775 N LEU A 110 -13.370 -14.111 9.217 1.00 0.00 N ATOM 1776 CA LEU A 110 -13.451 -14.547 10.602 1.00 0.00 C ATOM 1777 C LEU A 110 -14.607 -13.880 11.344 1.00 0.00 C ATOM 1778 O LEU A 110 -14.793 -14.107 12.541 1.00 0.00 O ATOM 1779 CB LEU A 110 -12.132 -14.246 11.322 1.00 0.00 C ATOM 1780 CG LEU A 110 -10.886 -14.879 10.697 1.00 0.00 C ATOM 1781 CD1 LEU A 110 -9.641 -14.463 11.461 1.00 0.00 C ATOM 1782 CD2 LEU A 110 -11.004 -16.395 10.665 1.00 0.00 C ATOM 0 H LEU A 110 -13.272 -13.103 9.094 1.00 0.00 H new ATOM 0 HA LEU A 110 -13.634 -15.621 10.598 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -11.993 -13.165 11.354 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -12.214 -14.588 12.354 1.00 0.00 H new ATOM 0 HG LEU A 110 -10.803 -14.522 9.670 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -8.764 -14.921 11.004 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -9.541 -13.378 11.431 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -9.724 -14.791 12.497 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -10.106 -16.820 10.216 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -11.116 -16.773 11.681 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -11.875 -16.680 10.074 1.00 0.00 H new ATOM 1794 N GLU A 111 -15.391 -13.068 10.643 1.00 0.00 N ATOM 1795 CA GLU A 111 -16.486 -12.351 11.286 1.00 0.00 C ATOM 1796 C GLU A 111 -17.845 -12.925 10.904 1.00 0.00 C ATOM 1797 O GLU A 111 -18.597 -13.382 11.765 1.00 0.00 O ATOM 1798 CB GLU A 111 -16.448 -10.856 10.953 1.00 0.00 C ATOM 1799 CG GLU A 111 -17.661 -10.106 11.492 1.00 0.00 C ATOM 1800 CD GLU A 111 -17.596 -8.610 11.282 1.00 0.00 C ATOM 1801 OE1 GLU A 111 -17.733 -8.154 10.129 1.00 0.00 O ATOM 1802 OE2 GLU A 111 -17.453 -7.878 12.283 1.00 0.00 O ATOM 0 H GLU A 111 -15.291 -12.891 9.643 1.00 0.00 H new ATOM 0 HA GLU A 111 -16.349 -12.478 12.360 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -15.540 -10.418 11.368 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -16.398 -10.729 9.872 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -18.559 -10.492 11.010 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -17.758 -10.310 12.558 1.00 0.00 H new ATOM 1809 N HIS A 112 -18.159 -12.907 9.617 1.00 0.00 N ATOM 1810 CA HIS A 112 -19.500 -13.250 9.163 1.00 0.00 C ATOM 1811 C HIS A 112 -19.693 -14.759 9.141 1.00 0.00 C ATOM 1812 O HIS A 112 -19.239 -15.433 8.221 1.00 0.00 O ATOM 1813 CB HIS A 112 -19.763 -12.663 7.774 1.00 0.00 C ATOM 1814 CG HIS A 112 -19.580 -11.178 7.711 1.00 0.00 C ATOM 1815 ND1 HIS A 112 -18.580 -10.579 6.985 1.00 0.00 N ATOM 1816 CD2 HIS A 112 -20.273 -10.171 8.290 1.00 0.00 C ATOM 1817 CE1 HIS A 112 -18.659 -9.271 7.119 1.00 0.00 C ATOM 1818 NE2 HIS A 112 -19.680 -8.993 7.907 1.00 0.00 N ATOM 0 H HIS A 112 -17.508 -12.660 8.872 1.00 0.00 H new ATOM 0 HA HIS A 112 -20.215 -12.821 9.865 1.00 0.00 H new ATOM 0 HB2 HIS A 112 -19.093 -13.135 7.056 1.00 0.00 H new ATOM 0 HB3 HIS A 112 -20.780 -12.909 7.470 1.00 0.00 H new ATOM 0 HD1 HIS A 112 -17.883 -11.072 6.427 1.00 0.00 H new ATOM 0 HD2 HIS A 112 -21.134 -10.274 8.934 1.00 0.00 H new ATOM 0 HE1 HIS A 112 -18.000 -8.548 6.661 1.00 0.00 H new ATOM 1827 N HIS A 113 -20.368 -15.279 10.163 1.00 0.00 N ATOM 1828 CA HIS A 113 -20.562 -16.720 10.297 1.00 0.00 C ATOM 1829 C HIS A 113 -21.779 -17.203 9.522 1.00 0.00 C ATOM 1830 O HIS A 113 -21.987 -18.406 9.372 1.00 0.00 O ATOM 1831 CB HIS A 113 -20.680 -17.119 11.765 1.00 0.00 C ATOM 1832 CG HIS A 113 -19.394 -16.987 12.511 1.00 0.00 C ATOM 1833 ND1 HIS A 113 -19.145 -15.974 13.408 1.00 0.00 N ATOM 1834 CD2 HIS A 113 -18.274 -17.743 12.481 1.00 0.00 C ATOM 1835 CE1 HIS A 113 -17.927 -16.110 13.896 1.00 0.00 C ATOM 1836 NE2 HIS A 113 -17.377 -17.178 13.349 1.00 0.00 N ATOM 0 H HIS A 113 -20.789 -14.725 10.909 1.00 0.00 H new ATOM 0 HA HIS A 113 -19.682 -17.202 9.870 1.00 0.00 H new ATOM 0 HB2 HIS A 113 -21.437 -16.499 12.245 1.00 0.00 H new ATOM 0 HB3 HIS A 113 -21.026 -18.151 11.829 1.00 0.00 H new ATOM 0 HD2 HIS A 113 -18.115 -18.629 11.883 1.00 0.00 H new ATOM 0 HE1 HIS A 113 -17.460 -15.459 14.620 1.00 0.00 H new ATOM 0 HE2 HIS A 113 -16.438 -17.526 13.541 1.00 0.00 H new ATOM 1845 N HIS A 114 -22.586 -16.271 9.028 1.00 0.00 N ATOM 1846 CA HIS A 114 -23.681 -16.630 8.131 1.00 0.00 C ATOM 1847 C HIS A 114 -23.115 -16.780 6.728 1.00 0.00 C ATOM 1848 O HIS A 114 -23.788 -17.216 5.797 1.00 0.00 O ATOM 1849 CB HIS A 114 -24.798 -15.582 8.164 1.00 0.00 C ATOM 1850 CG HIS A 114 -25.413 -15.406 9.520 1.00 0.00 C ATOM 1851 ND1 HIS A 114 -25.500 -14.187 10.155 1.00 0.00 N ATOM 1852 CD2 HIS A 114 -25.968 -16.306 10.367 1.00 0.00 C ATOM 1853 CE1 HIS A 114 -26.074 -14.343 11.331 1.00 0.00 C ATOM 1854 NE2 HIS A 114 -26.370 -15.618 11.486 1.00 0.00 N ATOM 0 H HIS A 114 -22.506 -15.274 9.229 1.00 0.00 H new ATOM 0 HA HIS A 114 -24.126 -17.571 8.456 1.00 0.00 H new ATOM 0 HB2 HIS A 114 -24.398 -14.625 7.828 1.00 0.00 H new ATOM 0 HB3 HIS A 114 -25.575 -15.869 7.456 1.00 0.00 H new ATOM 0 HD2 HIS A 114 -26.075 -17.367 10.195 1.00 0.00 H new ATOM 0 HE1 HIS A 114 -26.269 -13.558 12.047 1.00 0.00 H new ATOM 0 HE2 HIS A 114 -26.823 -16.027 12.303 1.00 0.00 H new ATOM 1863 N HIS A 115 -21.853 -16.401 6.609 1.00 0.00 N ATOM 1864 CA HIS A 115 -21.060 -16.616 5.414 1.00 0.00 C ATOM 1865 C HIS A 115 -19.765 -17.297 5.829 1.00 0.00 C ATOM 1866 O HIS A 115 -19.691 -17.894 6.900 1.00 0.00 O ATOM 1867 CB HIS A 115 -20.732 -15.284 4.727 1.00 0.00 C ATOM 1868 CG HIS A 115 -21.910 -14.594 4.117 1.00 0.00 C ATOM 1869 ND1 HIS A 115 -22.134 -13.240 4.239 1.00 0.00 N ATOM 1870 CD2 HIS A 115 -22.912 -15.071 3.345 1.00 0.00 C ATOM 1871 CE1 HIS A 115 -23.224 -12.917 3.570 1.00 0.00 C ATOM 1872 NE2 HIS A 115 -23.715 -14.008 3.019 1.00 0.00 N ATOM 0 H HIS A 115 -21.344 -15.927 7.355 1.00 0.00 H new ATOM 0 HA HIS A 115 -21.621 -17.232 4.711 1.00 0.00 H new ATOM 0 HB2 HIS A 115 -20.274 -14.617 5.457 1.00 0.00 H new ATOM 0 HB3 HIS A 115 -19.990 -15.464 3.949 1.00 0.00 H new ATOM 0 HD2 HIS A 115 -23.054 -16.098 3.042 1.00 0.00 H new ATOM 0 HE1 HIS A 115 -23.643 -11.925 3.488 1.00 0.00 H new ATOM 0 HE2 HIS A 115 -24.556 -14.055 2.443 1.00 0.00 H new ATOM 1881 N HIS A 116 -18.755 -17.215 4.991 1.00 0.00 N ATOM 1882 CA HIS A 116 -17.413 -17.599 5.397 1.00 0.00 C ATOM 1883 C HIS A 116 -16.440 -16.494 5.025 1.00 0.00 C ATOM 1884 O HIS A 116 -15.410 -16.729 4.391 1.00 0.00 O ATOM 1885 CB HIS A 116 -16.994 -18.956 4.807 1.00 0.00 C ATOM 1886 CG HIS A 116 -17.270 -19.129 3.345 1.00 0.00 C ATOM 1887 ND1 HIS A 116 -18.205 -20.017 2.868 1.00 0.00 N ATOM 1888 CD2 HIS A 116 -16.712 -18.554 2.257 1.00 0.00 C ATOM 1889 CE1 HIS A 116 -18.211 -19.981 1.553 1.00 0.00 C ATOM 1890 NE2 HIS A 116 -17.315 -19.103 1.152 1.00 0.00 N ATOM 0 H HIS A 116 -18.832 -16.888 4.028 1.00 0.00 H new ATOM 0 HA HIS A 116 -17.401 -17.729 6.479 1.00 0.00 H new ATOM 0 HB2 HIS A 116 -15.926 -19.094 4.978 1.00 0.00 H new ATOM 0 HB3 HIS A 116 -17.509 -19.746 5.353 1.00 0.00 H new ATOM 0 HD2 HIS A 116 -15.936 -17.803 2.256 1.00 0.00 H new ATOM 0 HE1 HIS A 116 -18.845 -20.573 0.909 1.00 0.00 H new ATOM 0 HE2 HIS A 116 -17.104 -18.870 0.182 1.00 0.00 H new ATOM 1899 N HIS A 117 -16.803 -15.280 5.425 1.00 0.00 N ATOM 1900 CA HIS A 117 -16.000 -14.095 5.178 1.00 0.00 C ATOM 1901 C HIS A 117 -16.581 -12.924 5.961 1.00 0.00 C ATOM 1902 O HIS A 117 -17.190 -12.031 5.338 1.00 0.00 O ATOM 1903 CB HIS A 117 -15.960 -13.766 3.680 1.00 0.00 C ATOM 1904 CG HIS A 117 -14.935 -12.735 3.313 1.00 0.00 C ATOM 1905 ND1 HIS A 117 -13.596 -13.025 3.202 1.00 0.00 N ATOM 1906 CD2 HIS A 117 -15.056 -11.419 3.017 1.00 0.00 C ATOM 1907 CE1 HIS A 117 -12.938 -11.939 2.855 1.00 0.00 C ATOM 1908 NE2 HIS A 117 -13.798 -10.945 2.734 1.00 0.00 N ATOM 1909 OXT HIS A 117 -16.474 -12.926 7.204 1.00 0.00 O ATOM 0 H HIS A 117 -17.668 -15.093 5.932 1.00 0.00 H new ATOM 0 HA HIS A 117 -14.978 -14.283 5.507 1.00 0.00 H new ATOM 0 HB2 HIS A 117 -15.758 -14.680 3.122 1.00 0.00 H new ATOM 0 HB3 HIS A 117 -16.943 -13.414 3.369 1.00 0.00 H new ATOM 0 HD2 HIS A 117 -15.972 -10.848 3.006 1.00 0.00 H new ATOM 0 HE1 HIS A 117 -11.872 -11.872 2.696 1.00 0.00 H new ATOM 0 HE2 HIS A 117 -13.567 -9.986 2.474 1.00 0.00 H new TER 1918 HIS A 117