USER MOD reduce.3.24.130724 H: found=0, std=0, add=936, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 928 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 111 SER OG : rot 56:sc= 0.131 USER MOD Set 1.2: A 116 SER OG : rot -178:sc= 0.13 USER MOD Set 2.1: A 24 GLN : amide:sc= -0.441 K(o=-0.86,f=1.1) USER MOD Set 2.2: A 109 LYS NZ :NH3+ -170:sc= -0.414 (180deg=0) USER MOD Set 3.1: A 51 GLN : amide:sc= -6.07! C(o=-7.5!,f=-6.6!) USER MOD Set 3.2: A 97 GLN : amide:sc= -1.42 K(o=-7.5,f=-8.3) USER MOD Set 4.1: A 32 HIS : no HD1:sc= -1.02 X(o=-1,f=-0.58) USER MOD Set 4.2: A 33 THR OG1 : rot 150:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 20:sc= 0.888 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 65:sc= 1.23 USER MOD Single : A 13 THR OG1 : rot 170:sc= 0 USER MOD Single : A 29 CYS SG : rot -140:sc= 0.96 USER MOD Single : A 30 HIS : no HD1:sc= -1.59! K(o=-1.6!,f=-0.39) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 147:sc= 0 (180deg=-0.156) USER MOD Single : A 36 GLN : amide:sc= -0.212 K(o=-0.21,f=-2.4!) USER MOD Single : A 38 CYS SG : rot -120:sc= -3.6! USER MOD Single : A 42 SER OG : rot -26:sc= -0.119 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 134:sc= -2.34! USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ -114:sc= 0.0113 (180deg=-0.302) USER MOD Single : A 65 MET CE :methyl -115:sc= -2.81! (180deg=-6.7!) USER MOD Single : A 70 GLN : amide:sc= -0.245 K(o=-0.24,f=-1.3) USER MOD Single : A 74 HIS : no HD1:sc= -0.356 X(o=-0.36,f=-0.09) USER MOD Single : A 75 HIS : no HD1:sc= -2.33! C(o=-2.3!,f=-2.6!) USER MOD Single : A 76 GLN : amide:sc= -0.0761 K(o=-0.076,f=-1.6!) USER MOD Single : A 84 HIS : no HE2:sc= -3.16! K(o=-3.2!,f=-2.4) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 88 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 91 HIS : no HE2:sc= -6.3! C(o=-6.3!,f=-6.9!) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot -79:sc= 0.483 USER MOD Single : A 99 MET CE :methyl -167:sc= -1.31 (180deg=-1.68) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 7:sc= 0.917 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -0.765 16.909 -24.741 1.00 0.00 N ATOM 2 CA GLY A 1 -0.899 17.194 -23.322 1.00 0.00 C ATOM 3 C GLY A 1 -2.346 17.540 -22.967 1.00 0.00 C ATOM 4 O GLY A 1 -2.910 18.493 -23.502 1.00 0.00 O ATOM 0 H1 GLY A 1 0.226 16.677 -24.956 1.00 0.00 H new ATOM 0 H2 GLY A 1 -1.372 16.103 -24.992 1.00 0.00 H new ATOM 0 H3 GLY A 1 -1.053 17.743 -25.291 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -0.575 16.330 -22.742 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -0.246 18.023 -23.051 1.00 0.00 H new ATOM 8 N SER A 2 -2.907 16.745 -22.067 1.00 0.00 N ATOM 9 CA SER A 2 -4.278 16.955 -21.634 1.00 0.00 C ATOM 10 C SER A 2 -4.617 16.000 -20.488 1.00 0.00 C ATOM 11 O SER A 2 -4.104 14.883 -20.434 1.00 0.00 O ATOM 12 CB SER A 2 -5.257 16.762 -22.793 1.00 0.00 C ATOM 13 OG SER A 2 -5.274 15.416 -23.260 1.00 0.00 O ATOM 0 H SER A 2 -2.437 15.955 -21.626 1.00 0.00 H new ATOM 0 HA SER A 2 -4.372 17.982 -21.282 1.00 0.00 H new ATOM 0 HB2 SER A 2 -6.259 17.047 -22.472 1.00 0.00 H new ATOM 0 HB3 SER A 2 -4.984 17.427 -23.613 1.00 0.00 H new ATOM 0 HG SER A 2 -5.913 15.334 -23.999 1.00 0.00 H new ATOM 19 N SER A 3 -5.479 16.473 -19.600 1.00 0.00 N ATOM 20 CA SER A 3 -5.893 15.675 -18.459 1.00 0.00 C ATOM 21 C SER A 3 -6.958 16.424 -17.655 1.00 0.00 C ATOM 22 O SER A 3 -6.966 17.653 -17.623 1.00 0.00 O ATOM 23 CB SER A 3 -4.699 15.331 -17.566 1.00 0.00 C ATOM 24 OG SER A 3 -4.824 14.036 -16.984 1.00 0.00 O ATOM 0 H SER A 3 -5.902 17.400 -19.648 1.00 0.00 H new ATOM 0 HA SER A 3 -6.316 14.742 -18.830 1.00 0.00 H new ATOM 0 HB2 SER A 3 -3.782 15.378 -18.153 1.00 0.00 H new ATOM 0 HB3 SER A 3 -4.610 16.077 -16.776 1.00 0.00 H new ATOM 0 HG SER A 3 -4.042 13.853 -16.423 1.00 0.00 H new ATOM 30 N GLY A 4 -7.831 15.650 -17.027 1.00 0.00 N ATOM 31 CA GLY A 4 -8.899 16.225 -16.225 1.00 0.00 C ATOM 32 C GLY A 4 -9.711 15.131 -15.529 1.00 0.00 C ATOM 33 O GLY A 4 -10.230 14.227 -16.182 1.00 0.00 O ATOM 0 H GLY A 4 -7.821 14.630 -17.057 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -8.477 16.899 -15.480 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -9.554 16.822 -16.860 1.00 0.00 H new ATOM 37 N SER A 5 -9.796 15.250 -14.212 1.00 0.00 N ATOM 38 CA SER A 5 -10.536 14.282 -13.420 1.00 0.00 C ATOM 39 C SER A 5 -10.902 14.888 -12.063 1.00 0.00 C ATOM 40 O SER A 5 -10.122 15.643 -11.485 1.00 0.00 O ATOM 41 CB SER A 5 -9.730 12.996 -13.227 1.00 0.00 C ATOM 42 OG SER A 5 -9.775 12.160 -14.380 1.00 0.00 O ATOM 0 H SER A 5 -9.365 16.002 -13.674 1.00 0.00 H new ATOM 0 HA SER A 5 -11.450 14.028 -13.957 1.00 0.00 H new ATOM 0 HB2 SER A 5 -8.694 13.248 -13.002 1.00 0.00 H new ATOM 0 HB3 SER A 5 -10.119 12.450 -12.368 1.00 0.00 H new ATOM 0 HG SER A 5 -10.031 12.694 -15.161 1.00 0.00 H new ATOM 48 N SER A 6 -12.090 14.533 -11.594 1.00 0.00 N ATOM 49 CA SER A 6 -12.569 15.032 -10.317 1.00 0.00 C ATOM 50 C SER A 6 -12.255 14.024 -9.210 1.00 0.00 C ATOM 51 O SER A 6 -11.826 12.905 -9.488 1.00 0.00 O ATOM 52 CB SER A 6 -14.072 15.316 -10.365 1.00 0.00 C ATOM 53 OG SER A 6 -14.357 16.587 -10.943 1.00 0.00 O ATOM 0 H SER A 6 -12.734 13.906 -12.076 1.00 0.00 H new ATOM 0 HA SER A 6 -12.056 15.969 -10.102 1.00 0.00 H new ATOM 0 HB2 SER A 6 -14.570 14.536 -10.941 1.00 0.00 H new ATOM 0 HB3 SER A 6 -14.481 15.277 -9.355 1.00 0.00 H new ATOM 0 HG SER A 6 -15.326 16.730 -10.957 1.00 0.00 H new ATOM 59 N GLY A 7 -12.481 14.456 -7.978 1.00 0.00 N ATOM 60 CA GLY A 7 -12.227 13.604 -6.828 1.00 0.00 C ATOM 61 C GLY A 7 -11.776 14.432 -5.623 1.00 0.00 C ATOM 62 O GLY A 7 -10.894 15.280 -5.743 1.00 0.00 O ATOM 0 H GLY A 7 -12.837 15.384 -7.751 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -13.130 13.049 -6.575 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -11.461 12.870 -7.077 1.00 0.00 H new ATOM 66 N VAL A 8 -12.402 14.155 -4.488 1.00 0.00 N ATOM 67 CA VAL A 8 -12.076 14.863 -3.262 1.00 0.00 C ATOM 68 C VAL A 8 -12.608 14.073 -2.065 1.00 0.00 C ATOM 69 O VAL A 8 -13.808 14.081 -1.795 1.00 0.00 O ATOM 70 CB VAL A 8 -12.619 16.293 -3.323 1.00 0.00 C ATOM 71 CG1 VAL A 8 -14.109 16.299 -3.671 1.00 0.00 C ATOM 72 CG2 VAL A 8 -12.359 17.034 -2.010 1.00 0.00 C ATOM 0 H VAL A 8 -13.133 13.450 -4.392 1.00 0.00 H new ATOM 0 HA VAL A 8 -10.995 14.944 -3.144 1.00 0.00 H new ATOM 0 HB VAL A 8 -12.088 16.820 -4.116 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -14.470 17.327 -3.708 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -14.258 15.827 -4.642 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -14.662 15.747 -2.911 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -12.754 18.047 -2.080 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -12.851 16.508 -1.192 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -11.286 17.075 -1.822 1.00 0.00 H new ATOM 82 N ILE A 9 -11.690 13.408 -1.380 1.00 0.00 N ATOM 83 CA ILE A 9 -12.051 12.614 -0.218 1.00 0.00 C ATOM 84 C ILE A 9 -11.505 13.285 1.044 1.00 0.00 C ATOM 85 O ILE A 9 -10.383 13.790 1.047 1.00 0.00 O ATOM 86 CB ILE A 9 -11.588 11.166 -0.393 1.00 0.00 C ATOM 87 CG1 ILE A 9 -12.319 10.494 -1.558 1.00 0.00 C ATOM 88 CG2 ILE A 9 -11.742 10.380 0.910 1.00 0.00 C ATOM 89 CD1 ILE A 9 -13.820 10.398 -1.281 1.00 0.00 C ATOM 0 H ILE A 9 -10.696 13.403 -1.608 1.00 0.00 H new ATOM 0 HA ILE A 9 -13.135 12.568 -0.111 1.00 0.00 H new ATOM 0 HB ILE A 9 -10.526 11.174 -0.640 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -12.150 11.061 -2.473 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -11.911 9.496 -1.721 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -11.406 9.354 0.758 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -11.141 10.847 1.690 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -12.789 10.378 1.212 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -14.316 9.917 -2.124 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -13.987 9.810 -0.378 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -14.229 11.399 -1.143 1.00 0.00 H new ATOM 101 N GLU A 10 -12.324 13.270 2.085 1.00 0.00 N ATOM 102 CA GLU A 10 -11.937 13.872 3.350 1.00 0.00 C ATOM 103 C GLU A 10 -11.722 12.789 4.409 1.00 0.00 C ATOM 104 O GLU A 10 -12.666 12.105 4.804 1.00 0.00 O ATOM 105 CB GLU A 10 -12.978 14.892 3.813 1.00 0.00 C ATOM 106 CG GLU A 10 -12.952 16.142 2.930 1.00 0.00 C ATOM 107 CD GLU A 10 -13.748 17.282 3.570 1.00 0.00 C ATOM 108 OE1 GLU A 10 -13.150 17.991 4.407 1.00 0.00 O ATOM 109 OE2 GLU A 10 -14.936 17.418 3.206 1.00 0.00 O ATOM 0 H GLU A 10 -13.254 12.851 2.079 1.00 0.00 H new ATOM 0 HA GLU A 10 -10.996 14.403 3.205 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -13.971 14.443 3.784 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -12.784 15.170 4.849 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -11.921 16.458 2.771 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -13.368 15.908 1.950 1.00 0.00 H new ATOM 116 N SER A 11 -10.475 12.666 4.839 1.00 0.00 N ATOM 117 CA SER A 11 -10.124 11.677 5.845 1.00 0.00 C ATOM 118 C SER A 11 -8.639 11.790 6.193 1.00 0.00 C ATOM 119 O SER A 11 -7.789 11.247 5.488 1.00 0.00 O ATOM 120 CB SER A 11 -10.451 10.262 5.363 1.00 0.00 C ATOM 121 OG SER A 11 -11.776 9.872 5.713 1.00 0.00 O ATOM 0 H SER A 11 -9.695 13.235 4.509 1.00 0.00 H new ATOM 0 HA SER A 11 -10.716 11.873 6.739 1.00 0.00 H new ATOM 0 HB2 SER A 11 -10.332 10.211 4.281 1.00 0.00 H new ATOM 0 HB3 SER A 11 -9.740 9.558 5.795 1.00 0.00 H new ATOM 0 HG SER A 11 -12.420 10.439 5.239 1.00 0.00 H new ATOM 127 N GLU A 12 -8.370 12.497 7.281 1.00 0.00 N ATOM 128 CA GLU A 12 -7.002 12.688 7.731 1.00 0.00 C ATOM 129 C GLU A 12 -6.336 11.335 7.991 1.00 0.00 C ATOM 130 O GLU A 12 -6.827 10.541 8.793 1.00 0.00 O ATOM 131 CB GLU A 12 -6.954 13.572 8.979 1.00 0.00 C ATOM 132 CG GLU A 12 -7.220 15.036 8.624 1.00 0.00 C ATOM 133 CD GLU A 12 -8.709 15.368 8.749 1.00 0.00 C ATOM 134 OE1 GLU A 12 -9.265 15.081 9.831 1.00 0.00 O ATOM 135 OE2 GLU A 12 -9.256 15.902 7.760 1.00 0.00 O ATOM 0 H GLU A 12 -9.077 12.945 7.864 1.00 0.00 H new ATOM 0 HA GLU A 12 -6.448 13.199 6.943 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -7.695 13.229 9.701 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -5.978 13.481 9.456 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -6.642 15.685 9.283 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -6.884 15.234 7.606 1.00 0.00 H new ATOM 142 N THR A 13 -5.228 11.114 7.299 1.00 0.00 N ATOM 143 CA THR A 13 -4.489 9.872 7.445 1.00 0.00 C ATOM 144 C THR A 13 -3.032 10.157 7.814 1.00 0.00 C ATOM 145 O THR A 13 -2.434 11.104 7.306 1.00 0.00 O ATOM 146 CB THR A 13 -4.643 9.075 6.148 1.00 0.00 C ATOM 147 OG1 THR A 13 -5.924 8.462 6.266 1.00 0.00 O ATOM 148 CG2 THR A 13 -3.671 7.896 6.067 1.00 0.00 C ATOM 0 H THR A 13 -4.824 11.775 6.635 1.00 0.00 H new ATOM 0 HA THR A 13 -4.886 9.270 8.263 1.00 0.00 H new ATOM 0 HB THR A 13 -4.485 9.735 5.295 1.00 0.00 H new ATOM 0 HG1 THR A 13 -6.175 8.060 5.408 1.00 0.00 H new ATOM 0 HG21 THR A 13 -3.822 7.364 5.128 1.00 0.00 H new ATOM 0 HG22 THR A 13 -2.647 8.265 6.115 1.00 0.00 H new ATOM 0 HG23 THR A 13 -3.851 7.218 6.901 1.00 0.00 H new ATOM 156 N LEU A 14 -2.504 9.321 8.696 1.00 0.00 N ATOM 157 CA LEU A 14 -1.128 9.472 9.139 1.00 0.00 C ATOM 158 C LEU A 14 -0.274 8.363 8.523 1.00 0.00 C ATOM 159 O LEU A 14 -0.763 7.261 8.280 1.00 0.00 O ATOM 160 CB LEU A 14 -1.060 9.524 10.667 1.00 0.00 C ATOM 161 CG LEU A 14 -1.898 10.614 11.339 1.00 0.00 C ATOM 162 CD1 LEU A 14 -2.415 10.145 12.700 1.00 0.00 C ATOM 163 CD2 LEU A 14 -1.114 11.923 11.443 1.00 0.00 C ATOM 0 H LEU A 14 -3.004 8.537 9.116 1.00 0.00 H new ATOM 0 HA LEU A 14 -0.718 10.420 8.792 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.377 8.557 11.058 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.019 9.661 10.960 1.00 0.00 H new ATOM 0 HG LEU A 14 -2.769 10.811 10.714 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.007 10.938 13.157 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.035 9.259 12.568 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.571 9.904 13.346 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.733 12.680 11.924 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -0.213 11.761 12.034 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.837 12.262 10.445 1.00 0.00 H new ATOM 175 N ILE A 15 0.988 8.693 8.287 1.00 0.00 N ATOM 176 CA ILE A 15 1.914 7.738 7.704 1.00 0.00 C ATOM 177 C ILE A 15 1.963 6.483 8.577 1.00 0.00 C ATOM 178 O ILE A 15 1.852 5.366 8.072 1.00 0.00 O ATOM 179 CB ILE A 15 3.282 8.386 7.482 1.00 0.00 C ATOM 180 CG1 ILE A 15 4.223 7.440 6.733 1.00 0.00 C ATOM 181 CG2 ILE A 15 3.884 8.864 8.805 1.00 0.00 C ATOM 182 CD1 ILE A 15 5.550 8.129 6.408 1.00 0.00 C ATOM 0 H ILE A 15 1.390 9.608 8.489 1.00 0.00 H new ATOM 0 HA ILE A 15 1.570 7.427 6.718 1.00 0.00 H new ATOM 0 HB ILE A 15 3.144 9.266 6.854 1.00 0.00 H new ATOM 0 HG12 ILE A 15 4.409 6.552 7.338 1.00 0.00 H new ATOM 0 HG13 ILE A 15 3.748 7.104 5.811 1.00 0.00 H new ATOM 0 HG21 ILE A 15 4.856 9.321 8.619 1.00 0.00 H new ATOM 0 HG22 ILE A 15 3.220 9.598 9.263 1.00 0.00 H new ATOM 0 HG23 ILE A 15 4.005 8.015 9.478 1.00 0.00 H new ATOM 0 HD11 ILE A 15 6.200 7.434 5.876 1.00 0.00 H new ATOM 0 HD12 ILE A 15 5.363 9.002 5.783 1.00 0.00 H new ATOM 0 HD13 ILE A 15 6.034 8.442 7.333 1.00 0.00 H new ATOM 194 N GLU A 16 2.131 6.707 9.872 1.00 0.00 N ATOM 195 CA GLU A 16 2.196 5.608 10.820 1.00 0.00 C ATOM 196 C GLU A 16 0.853 4.877 10.878 1.00 0.00 C ATOM 197 O GLU A 16 0.750 3.808 11.478 1.00 0.00 O ATOM 198 CB GLU A 16 2.611 6.104 12.207 1.00 0.00 C ATOM 199 CG GLU A 16 4.048 6.630 12.194 1.00 0.00 C ATOM 200 CD GLU A 16 4.444 7.176 13.567 1.00 0.00 C ATOM 201 OE1 GLU A 16 4.575 6.345 14.492 1.00 0.00 O ATOM 202 OE2 GLU A 16 4.607 8.412 13.661 1.00 0.00 O ATOM 0 H GLU A 16 2.224 7.634 10.287 1.00 0.00 H new ATOM 0 HA GLU A 16 2.956 4.905 10.480 1.00 0.00 H new ATOM 0 HB2 GLU A 16 1.934 6.894 12.532 1.00 0.00 H new ATOM 0 HB3 GLU A 16 2.524 5.292 12.929 1.00 0.00 H new ATOM 0 HG2 GLU A 16 4.730 5.829 11.907 1.00 0.00 H new ATOM 0 HG3 GLU A 16 4.145 7.415 11.444 1.00 0.00 H new ATOM 209 N ASP A 17 -0.142 5.483 10.248 1.00 0.00 N ATOM 210 CA ASP A 17 -1.474 4.903 10.220 1.00 0.00 C ATOM 211 C ASP A 17 -1.639 4.075 8.944 1.00 0.00 C ATOM 212 O ASP A 17 -2.475 3.175 8.888 1.00 0.00 O ATOM 213 CB ASP A 17 -2.549 5.992 10.220 1.00 0.00 C ATOM 214 CG ASP A 17 -3.395 6.066 11.492 1.00 0.00 C ATOM 215 OD1 ASP A 17 -2.852 5.700 12.557 1.00 0.00 O ATOM 216 OD2 ASP A 17 -4.566 6.487 11.372 1.00 0.00 O ATOM 0 H ASP A 17 -0.053 6.370 9.753 1.00 0.00 H new ATOM 0 HA ASP A 17 -1.590 4.282 11.108 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -2.067 6.957 10.066 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -3.211 5.827 9.370 1.00 0.00 H new ATOM 221 N VAL A 18 -0.829 4.410 7.951 1.00 0.00 N ATOM 222 CA VAL A 18 -0.874 3.709 6.679 1.00 0.00 C ATOM 223 C VAL A 18 0.198 2.618 6.664 1.00 0.00 C ATOM 224 O VAL A 18 0.096 1.652 5.910 1.00 0.00 O ATOM 225 CB VAL A 18 -0.730 4.705 5.527 1.00 0.00 C ATOM 226 CG1 VAL A 18 -0.737 3.986 4.176 1.00 0.00 C ATOM 227 CG2 VAL A 18 -1.824 5.773 5.585 1.00 0.00 C ATOM 0 H VAL A 18 -0.137 5.158 8.001 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.838 3.218 6.548 1.00 0.00 H new ATOM 0 HB VAL A 18 0.232 5.205 5.635 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.633 4.717 3.374 1.00 0.00 H new ATOM 0 HG12 VAL A 18 0.094 3.282 4.134 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -1.676 3.447 4.056 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -1.698 6.468 4.755 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.802 5.296 5.514 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -1.752 6.316 6.527 1.00 0.00 H new ATOM 237 N LEU A 19 1.203 2.809 7.507 1.00 0.00 N ATOM 238 CA LEU A 19 2.293 1.853 7.600 1.00 0.00 C ATOM 239 C LEU A 19 1.986 0.842 8.707 1.00 0.00 C ATOM 240 O LEU A 19 2.347 -0.329 8.600 1.00 0.00 O ATOM 241 CB LEU A 19 3.628 2.579 7.783 1.00 0.00 C ATOM 242 CG LEU A 19 4.244 3.178 6.518 1.00 0.00 C ATOM 243 CD1 LEU A 19 5.065 2.133 5.760 1.00 0.00 C ATOM 244 CD2 LEU A 19 3.171 3.816 5.634 1.00 0.00 C ATOM 0 H LEU A 19 1.285 3.611 8.131 1.00 0.00 H new ATOM 0 HA LEU A 19 2.387 1.290 6.671 1.00 0.00 H new ATOM 0 HB2 LEU A 19 3.487 3.380 8.509 1.00 0.00 H new ATOM 0 HB3 LEU A 19 4.343 1.879 8.215 1.00 0.00 H new ATOM 0 HG LEU A 19 4.929 3.972 6.815 1.00 0.00 H new ATOM 0 HD11 LEU A 19 5.492 2.585 4.865 1.00 0.00 H new ATOM 0 HD12 LEU A 19 5.868 1.767 6.400 1.00 0.00 H new ATOM 0 HD13 LEU A 19 4.421 1.301 5.475 1.00 0.00 H new ATOM 0 HD21 LEU A 19 3.636 4.234 4.741 1.00 0.00 H new ATOM 0 HD22 LEU A 19 2.442 3.059 5.343 1.00 0.00 H new ATOM 0 HD23 LEU A 19 2.669 4.610 6.187 1.00 0.00 H new ATOM 256 N ARG A 20 1.323 1.331 9.744 1.00 0.00 N ATOM 257 CA ARG A 20 0.964 0.485 10.869 1.00 0.00 C ATOM 258 C ARG A 20 0.386 -0.842 10.372 1.00 0.00 C ATOM 259 O ARG A 20 0.800 -1.910 10.820 1.00 0.00 O ATOM 260 CB ARG A 20 -0.063 1.174 11.771 1.00 0.00 C ATOM 261 CG ARG A 20 0.584 1.650 13.073 1.00 0.00 C ATOM 262 CD ARG A 20 0.927 0.467 13.980 1.00 0.00 C ATOM 263 NE ARG A 20 1.189 0.943 15.357 1.00 0.00 N ATOM 264 CZ ARG A 20 0.234 1.340 16.208 1.00 0.00 C ATOM 265 NH1 ARG A 20 -1.052 1.320 15.830 1.00 0.00 N ATOM 266 NH2 ARG A 20 0.564 1.756 17.438 1.00 0.00 N ATOM 0 H ARG A 20 1.025 2.303 9.829 1.00 0.00 H new ATOM 0 HA ARG A 20 1.870 0.298 11.445 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -0.501 2.023 11.247 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -0.876 0.484 11.996 1.00 0.00 H new ATOM 0 HG2 ARG A 20 1.489 2.215 12.848 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -0.093 2.327 13.593 1.00 0.00 H new ATOM 0 HD2 ARG A 20 0.105 -0.249 13.984 1.00 0.00 H new ATOM 0 HD3 ARG A 20 1.802 -0.055 13.594 1.00 0.00 H new ATOM 0 HE ARG A 20 2.157 0.970 15.678 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -1.304 1.002 14.894 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -1.779 1.622 16.478 1.00 0.00 H new ATOM 0 HH21 ARG A 20 1.542 1.770 17.726 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -0.163 2.058 18.086 1.00 0.00 H new ATOM 280 N PRO A 21 -0.587 -0.728 9.428 1.00 0.00 N ATOM 281 CA PRO A 21 -1.225 -1.905 8.866 1.00 0.00 C ATOM 282 C PRO A 21 -0.298 -2.611 7.874 1.00 0.00 C ATOM 283 O PRO A 21 0.044 -3.778 8.061 1.00 0.00 O ATOM 284 CB PRO A 21 -2.502 -1.390 8.221 1.00 0.00 C ATOM 285 CG PRO A 21 -2.303 0.106 8.041 1.00 0.00 C ATOM 286 CD PRO A 21 -1.102 0.521 8.874 1.00 0.00 C ATOM 0 HA PRO A 21 -1.450 -2.661 9.619 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -2.680 -1.878 7.263 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -3.368 -1.596 8.850 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -2.140 0.345 6.990 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -3.193 0.650 8.357 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -0.351 1.023 8.264 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -1.388 1.216 9.663 1.00 0.00 H new ATOM 294 N LEU A 22 0.083 -1.873 6.841 1.00 0.00 N ATOM 295 CA LEU A 22 0.964 -2.414 5.820 1.00 0.00 C ATOM 296 C LEU A 22 2.114 -3.168 6.492 1.00 0.00 C ATOM 297 O LEU A 22 2.597 -4.169 5.965 1.00 0.00 O ATOM 298 CB LEU A 22 1.426 -1.307 4.870 1.00 0.00 C ATOM 299 CG LEU A 22 0.437 -0.910 3.773 1.00 0.00 C ATOM 300 CD1 LEU A 22 0.787 0.461 3.190 1.00 0.00 C ATOM 301 CD2 LEU A 22 0.356 -1.988 2.691 1.00 0.00 C ATOM 0 H LEU A 22 -0.202 -0.906 6.689 1.00 0.00 H new ATOM 0 HA LEU A 22 0.431 -3.134 5.199 1.00 0.00 H new ATOM 0 HB2 LEU A 22 1.657 -0.421 5.461 1.00 0.00 H new ATOM 0 HB3 LEU A 22 2.355 -1.626 4.397 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.554 -0.827 4.220 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.069 0.720 2.412 1.00 0.00 H new ATOM 0 HD12 LEU A 22 0.753 1.212 3.980 1.00 0.00 H new ATOM 0 HD13 LEU A 22 1.789 0.429 2.762 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.354 -1.680 1.923 1.00 0.00 H new ATOM 0 HD22 LEU A 22 1.339 -2.127 2.241 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.025 -2.926 3.136 1.00 0.00 H new ATOM 313 N GLU A 23 2.519 -2.658 7.646 1.00 0.00 N ATOM 314 CA GLU A 23 3.603 -3.270 8.395 1.00 0.00 C ATOM 315 C GLU A 23 3.171 -4.635 8.935 1.00 0.00 C ATOM 316 O GLU A 23 3.828 -5.643 8.681 1.00 0.00 O ATOM 317 CB GLU A 23 4.072 -2.355 9.528 1.00 0.00 C ATOM 318 CG GLU A 23 5.098 -1.339 9.024 1.00 0.00 C ATOM 319 CD GLU A 23 5.686 -0.532 10.184 1.00 0.00 C ATOM 320 OE1 GLU A 23 6.558 -1.093 10.881 1.00 0.00 O ATOM 321 OE2 GLU A 23 5.249 0.628 10.347 1.00 0.00 O ATOM 0 H GLU A 23 2.116 -1.828 8.080 1.00 0.00 H new ATOM 0 HA GLU A 23 4.446 -3.419 7.720 1.00 0.00 H new ATOM 0 HB2 GLU A 23 3.217 -1.832 9.955 1.00 0.00 H new ATOM 0 HB3 GLU A 23 4.510 -2.954 10.326 1.00 0.00 H new ATOM 0 HG2 GLU A 23 5.898 -1.857 8.494 1.00 0.00 H new ATOM 0 HG3 GLU A 23 4.626 -0.665 8.309 1.00 0.00 H new ATOM 328 N GLN A 24 2.069 -4.622 9.670 1.00 0.00 N ATOM 329 CA GLN A 24 1.541 -5.847 10.247 1.00 0.00 C ATOM 330 C GLN A 24 1.516 -6.961 9.199 1.00 0.00 C ATOM 331 O GLN A 24 1.543 -8.142 9.542 1.00 0.00 O ATOM 332 CB GLN A 24 0.148 -5.618 10.838 1.00 0.00 C ATOM 333 CG GLN A 24 -0.910 -5.545 9.735 1.00 0.00 C ATOM 334 CD GLN A 24 -2.064 -6.510 10.018 1.00 0.00 C ATOM 335 OE1 GLN A 24 -3.018 -6.192 10.708 1.00 0.00 O ATOM 336 NE2 GLN A 24 -1.923 -7.703 9.448 1.00 0.00 N ATOM 0 H GLN A 24 1.527 -3.783 9.879 1.00 0.00 H new ATOM 0 HA GLN A 24 2.199 -6.156 11.060 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -0.096 -6.426 11.528 1.00 0.00 H new ATOM 0 HB3 GLN A 24 0.141 -4.693 11.415 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -1.292 -4.527 9.660 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -0.456 -5.787 8.774 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -1.098 -7.904 8.882 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -2.639 -8.418 9.577 1.00 0.00 H new ATOM 345 N ALA A 25 1.463 -6.545 7.942 1.00 0.00 N ATOM 346 CA ALA A 25 1.434 -7.493 6.841 1.00 0.00 C ATOM 347 C ALA A 25 2.828 -8.096 6.656 1.00 0.00 C ATOM 348 O ALA A 25 2.997 -9.313 6.729 1.00 0.00 O ATOM 349 CB ALA A 25 0.929 -6.794 5.578 1.00 0.00 C ATOM 0 H ALA A 25 1.439 -5.565 7.662 1.00 0.00 H new ATOM 0 HA ALA A 25 0.747 -8.311 7.057 1.00 0.00 H new ATOM 0 HB1 ALA A 25 0.907 -7.505 4.752 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -0.076 -6.409 5.752 1.00 0.00 H new ATOM 0 HB3 ALA A 25 1.595 -5.968 5.328 1.00 0.00 H new ATOM 355 N LEU A 26 3.791 -7.218 6.420 1.00 0.00 N ATOM 356 CA LEU A 26 5.165 -7.648 6.223 1.00 0.00 C ATOM 357 C LEU A 26 5.505 -8.735 7.245 1.00 0.00 C ATOM 358 O LEU A 26 5.743 -9.885 6.878 1.00 0.00 O ATOM 359 CB LEU A 26 6.113 -6.448 6.263 1.00 0.00 C ATOM 360 CG LEU A 26 7.570 -6.732 5.889 1.00 0.00 C ATOM 361 CD1 LEU A 26 7.690 -7.128 4.416 1.00 0.00 C ATOM 362 CD2 LEU A 26 8.467 -5.542 6.238 1.00 0.00 C ATOM 0 H LEU A 26 3.647 -6.210 6.361 1.00 0.00 H new ATOM 0 HA LEU A 26 5.289 -8.089 5.234 1.00 0.00 H new ATOM 0 HB2 LEU A 26 5.728 -5.683 5.589 1.00 0.00 H new ATOM 0 HB3 LEU A 26 6.092 -6.027 7.268 1.00 0.00 H new ATOM 0 HG LEU A 26 7.916 -7.580 6.480 1.00 0.00 H new ATOM 0 HD11 LEU A 26 8.735 -7.324 4.176 1.00 0.00 H new ATOM 0 HD12 LEU A 26 7.100 -8.026 4.231 1.00 0.00 H new ATOM 0 HD13 LEU A 26 7.320 -6.316 3.790 1.00 0.00 H new ATOM 0 HD21 LEU A 26 9.497 -5.769 5.962 1.00 0.00 H new ATOM 0 HD22 LEU A 26 8.131 -4.661 5.692 1.00 0.00 H new ATOM 0 HD23 LEU A 26 8.413 -5.347 7.309 1.00 0.00 H new ATOM 374 N GLU A 27 5.518 -8.333 8.507 1.00 0.00 N ATOM 375 CA GLU A 27 5.825 -9.259 9.585 1.00 0.00 C ATOM 376 C GLU A 27 5.045 -10.562 9.403 1.00 0.00 C ATOM 377 O GLU A 27 5.592 -11.648 9.589 1.00 0.00 O ATOM 378 CB GLU A 27 5.531 -8.630 10.948 1.00 0.00 C ATOM 379 CG GLU A 27 4.075 -8.169 11.037 1.00 0.00 C ATOM 380 CD GLU A 27 3.212 -9.212 11.749 1.00 0.00 C ATOM 381 OE1 GLU A 27 3.381 -9.343 12.981 1.00 0.00 O ATOM 382 OE2 GLU A 27 2.402 -9.854 11.046 1.00 0.00 O ATOM 0 H GLU A 27 5.321 -7.379 8.808 1.00 0.00 H new ATOM 0 HA GLU A 27 6.890 -9.488 9.549 1.00 0.00 H new ATOM 0 HB2 GLU A 27 5.736 -9.353 11.738 1.00 0.00 H new ATOM 0 HB3 GLU A 27 6.195 -7.782 11.112 1.00 0.00 H new ATOM 0 HG2 GLU A 27 4.022 -7.221 11.573 1.00 0.00 H new ATOM 0 HG3 GLU A 27 3.684 -7.991 10.035 1.00 0.00 H new ATOM 389 N ASP A 28 3.779 -10.412 9.041 1.00 0.00 N ATOM 390 CA ASP A 28 2.919 -11.564 8.832 1.00 0.00 C ATOM 391 C ASP A 28 3.452 -12.387 7.657 1.00 0.00 C ATOM 392 O ASP A 28 3.408 -13.616 7.685 1.00 0.00 O ATOM 393 CB ASP A 28 1.491 -11.131 8.496 1.00 0.00 C ATOM 394 CG ASP A 28 0.423 -11.603 9.485 1.00 0.00 C ATOM 395 OD1 ASP A 28 -0.035 -12.754 9.320 1.00 0.00 O ATOM 396 OD2 ASP A 28 0.088 -10.801 10.384 1.00 0.00 O ATOM 0 H ASP A 28 3.328 -9.510 8.887 1.00 0.00 H new ATOM 0 HA ASP A 28 2.912 -12.150 9.751 1.00 0.00 H new ATOM 0 HB2 ASP A 28 1.460 -10.043 8.443 1.00 0.00 H new ATOM 0 HB3 ASP A 28 1.237 -11.506 7.504 1.00 0.00 H new ATOM 401 N CYS A 29 3.944 -11.676 6.653 1.00 0.00 N ATOM 402 CA CYS A 29 4.485 -12.325 5.471 1.00 0.00 C ATOM 403 C CYS A 29 5.790 -13.021 5.860 1.00 0.00 C ATOM 404 O CYS A 29 5.993 -14.192 5.541 1.00 0.00 O ATOM 405 CB CYS A 29 4.687 -11.333 4.324 1.00 0.00 C ATOM 406 SG CYS A 29 3.074 -10.915 3.567 1.00 0.00 S ATOM 0 H CYS A 29 3.979 -10.657 6.634 1.00 0.00 H new ATOM 0 HA CYS A 29 3.775 -13.066 5.103 1.00 0.00 H new ATOM 0 HB2 CYS A 29 5.169 -10.429 4.695 1.00 0.00 H new ATOM 0 HB3 CYS A 29 5.350 -11.763 3.573 1.00 0.00 H new ATOM 0 HG CYS A 29 3.208 -10.837 2.276 1.00 0.00 H new ATOM 412 N HIS A 30 6.642 -12.272 6.544 1.00 0.00 N ATOM 413 CA HIS A 30 7.923 -12.802 6.980 1.00 0.00 C ATOM 414 C HIS A 30 7.712 -14.157 7.659 1.00 0.00 C ATOM 415 O HIS A 30 8.547 -15.053 7.537 1.00 0.00 O ATOM 416 CB HIS A 30 8.651 -11.798 7.876 1.00 0.00 C ATOM 417 CG HIS A 30 9.242 -12.405 9.125 1.00 0.00 C ATOM 418 ND1 HIS A 30 10.606 -12.476 9.351 1.00 0.00 N ATOM 419 CD2 HIS A 30 8.642 -12.966 10.214 1.00 0.00 C ATOM 420 CE1 HIS A 30 10.806 -13.057 10.525 1.00 0.00 C ATOM 421 NE2 HIS A 30 9.588 -13.360 11.058 1.00 0.00 N ATOM 0 H HIS A 30 6.470 -11.302 6.807 1.00 0.00 H new ATOM 0 HA HIS A 30 8.567 -12.963 6.116 1.00 0.00 H new ATOM 0 HB2 HIS A 30 9.448 -11.326 7.302 1.00 0.00 H new ATOM 0 HB3 HIS A 30 7.954 -11.010 8.162 1.00 0.00 H new ATOM 0 HD2 HIS A 30 7.578 -13.072 10.364 1.00 0.00 H new ATOM 0 HE1 HIS A 30 11.765 -13.256 10.980 1.00 0.00 H new ATOM 0 HE2 HIS A 30 9.430 -13.815 11.957 1.00 0.00 H new ATOM 429 N GLY A 31 6.593 -14.265 8.359 1.00 0.00 N ATOM 430 CA GLY A 31 6.262 -15.496 9.057 1.00 0.00 C ATOM 431 C GLY A 31 5.305 -16.356 8.229 1.00 0.00 C ATOM 432 O GLY A 31 4.422 -17.013 8.778 1.00 0.00 O ATOM 0 H GLY A 31 5.903 -13.520 8.458 1.00 0.00 H new ATOM 0 HA2 GLY A 31 7.173 -16.057 9.265 1.00 0.00 H new ATOM 0 HA3 GLY A 31 5.806 -15.261 10.019 1.00 0.00 H new ATOM 436 N HIS A 32 5.512 -16.323 6.921 1.00 0.00 N ATOM 437 CA HIS A 32 4.678 -17.091 6.012 1.00 0.00 C ATOM 438 C HIS A 32 5.323 -17.121 4.625 1.00 0.00 C ATOM 439 O HIS A 32 5.907 -18.129 4.229 1.00 0.00 O ATOM 440 CB HIS A 32 3.250 -16.543 5.990 1.00 0.00 C ATOM 441 CG HIS A 32 2.344 -17.228 4.994 1.00 0.00 C ATOM 442 ND1 HIS A 32 1.289 -18.038 5.374 1.00 0.00 N ATOM 443 CD2 HIS A 32 2.348 -17.214 3.630 1.00 0.00 C ATOM 444 CE1 HIS A 32 0.691 -18.486 4.280 1.00 0.00 C ATOM 445 NE2 HIS A 32 1.349 -17.975 3.200 1.00 0.00 N ATOM 0 H HIS A 32 6.245 -15.777 6.469 1.00 0.00 H new ATOM 0 HA HIS A 32 4.604 -18.120 6.363 1.00 0.00 H new ATOM 0 HB2 HIS A 32 2.818 -16.642 6.986 1.00 0.00 H new ATOM 0 HB3 HIS A 32 3.284 -15.478 5.762 1.00 0.00 H new ATOM 0 HD2 HIS A 32 3.046 -16.675 3.006 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -0.167 -19.141 4.249 1.00 0.00 H new ATOM 0 HE2 HIS A 32 1.112 -18.149 2.223 1.00 0.00 H new ATOM 453 N THR A 33 5.196 -16.003 3.924 1.00 0.00 N ATOM 454 CA THR A 33 5.759 -15.889 2.590 1.00 0.00 C ATOM 455 C THR A 33 7.277 -16.072 2.634 1.00 0.00 C ATOM 456 O THR A 33 7.909 -15.805 3.655 1.00 0.00 O ATOM 457 CB THR A 33 5.327 -14.541 2.008 1.00 0.00 C ATOM 458 OG1 THR A 33 4.002 -14.774 1.540 1.00 0.00 O ATOM 459 CG2 THR A 33 6.109 -14.169 0.747 1.00 0.00 C ATOM 0 H THR A 33 4.711 -15.169 4.255 1.00 0.00 H new ATOM 0 HA THR A 33 5.387 -16.677 1.935 1.00 0.00 H new ATOM 0 HB THR A 33 5.460 -13.762 2.759 1.00 0.00 H new ATOM 0 HG1 THR A 33 3.484 -13.944 1.599 1.00 0.00 H new ATOM 0 HG21 THR A 33 5.763 -13.204 0.376 1.00 0.00 H new ATOM 0 HG22 THR A 33 7.171 -14.107 0.983 1.00 0.00 H new ATOM 0 HG23 THR A 33 5.951 -14.930 -0.017 1.00 0.00 H new ATOM 467 N LYS A 34 7.819 -16.527 1.514 1.00 0.00 N ATOM 468 CA LYS A 34 9.251 -16.749 1.412 1.00 0.00 C ATOM 469 C LYS A 34 9.993 -15.516 1.931 1.00 0.00 C ATOM 470 O LYS A 34 9.375 -14.494 2.227 1.00 0.00 O ATOM 471 CB LYS A 34 9.633 -17.139 -0.018 1.00 0.00 C ATOM 472 CG LYS A 34 8.935 -18.435 -0.437 1.00 0.00 C ATOM 473 CD LYS A 34 9.941 -19.442 -0.998 1.00 0.00 C ATOM 474 CE LYS A 34 9.959 -19.406 -2.527 1.00 0.00 C ATOM 475 NZ LYS A 34 10.911 -20.407 -3.058 1.00 0.00 N ATOM 0 H LYS A 34 7.292 -16.748 0.669 1.00 0.00 H new ATOM 0 HA LYS A 34 9.551 -17.589 2.038 1.00 0.00 H new ATOM 0 HB2 LYS A 34 9.360 -16.336 -0.703 1.00 0.00 H new ATOM 0 HB3 LYS A 34 10.713 -17.264 -0.088 1.00 0.00 H new ATOM 0 HG2 LYS A 34 8.420 -18.869 0.420 1.00 0.00 H new ATOM 0 HG3 LYS A 34 8.176 -18.217 -1.188 1.00 0.00 H new ATOM 0 HD2 LYS A 34 10.936 -19.219 -0.614 1.00 0.00 H new ATOM 0 HD3 LYS A 34 9.685 -20.445 -0.657 1.00 0.00 H new ATOM 0 HE2 LYS A 34 8.959 -19.606 -2.913 1.00 0.00 H new ATOM 0 HE3 LYS A 34 10.240 -18.410 -2.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 10.911 -20.369 -4.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 11.867 -20.199 -2.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 10.626 -21.357 -2.746 1.00 0.00 H new ATOM 489 N LYS A 35 11.308 -15.652 2.026 1.00 0.00 N ATOM 490 CA LYS A 35 12.140 -14.561 2.504 1.00 0.00 C ATOM 491 C LYS A 35 12.405 -13.585 1.356 1.00 0.00 C ATOM 492 O LYS A 35 12.023 -12.418 1.428 1.00 0.00 O ATOM 493 CB LYS A 35 13.414 -15.105 3.155 1.00 0.00 C ATOM 494 CG LYS A 35 14.135 -14.012 3.947 1.00 0.00 C ATOM 495 CD LYS A 35 13.446 -13.763 5.290 1.00 0.00 C ATOM 496 CE LYS A 35 13.929 -14.760 6.346 1.00 0.00 C ATOM 497 NZ LYS A 35 12.880 -15.767 6.625 1.00 0.00 N ATOM 0 H LYS A 35 11.817 -16.501 1.780 1.00 0.00 H new ATOM 0 HA LYS A 35 11.623 -14.002 3.284 1.00 0.00 H new ATOM 0 HB2 LYS A 35 13.163 -15.933 3.817 1.00 0.00 H new ATOM 0 HB3 LYS A 35 14.078 -15.501 2.387 1.00 0.00 H new ATOM 0 HG2 LYS A 35 15.172 -14.303 4.115 1.00 0.00 H new ATOM 0 HG3 LYS A 35 14.153 -13.089 3.367 1.00 0.00 H new ATOM 0 HD2 LYS A 35 13.650 -12.746 5.625 1.00 0.00 H new ATOM 0 HD3 LYS A 35 12.366 -13.849 5.170 1.00 0.00 H new ATOM 0 HE2 LYS A 35 14.835 -15.256 5.999 1.00 0.00 H new ATOM 0 HE3 LYS A 35 14.187 -14.231 7.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 13.326 -16.679 6.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 12.303 -15.453 7.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 12.274 -15.878 5.787 1.00 0.00 H new ATOM 511 N GLN A 36 13.056 -14.100 0.323 1.00 0.00 N ATOM 512 CA GLN A 36 13.376 -13.288 -0.839 1.00 0.00 C ATOM 513 C GLN A 36 12.189 -12.395 -1.205 1.00 0.00 C ATOM 514 O GLN A 36 12.371 -11.235 -1.573 1.00 0.00 O ATOM 515 CB GLN A 36 13.788 -14.165 -2.023 1.00 0.00 C ATOM 516 CG GLN A 36 15.289 -14.464 -1.987 1.00 0.00 C ATOM 517 CD GLN A 36 16.069 -13.455 -2.832 1.00 0.00 C ATOM 518 OE1 GLN A 36 15.509 -12.645 -3.553 1.00 0.00 O ATOM 519 NE2 GLN A 36 17.390 -13.549 -2.704 1.00 0.00 N ATOM 0 H GLN A 36 13.370 -15.069 0.267 1.00 0.00 H new ATOM 0 HA GLN A 36 14.223 -12.649 -0.590 1.00 0.00 H new ATOM 0 HB2 GLN A 36 13.227 -15.099 -2.001 1.00 0.00 H new ATOM 0 HB3 GLN A 36 13.536 -13.663 -2.957 1.00 0.00 H new ATOM 0 HG2 GLN A 36 15.645 -14.434 -0.957 1.00 0.00 H new ATOM 0 HG3 GLN A 36 15.472 -15.473 -2.358 1.00 0.00 H new ATOM 0 HE21 GLN A 36 17.794 -14.250 -2.083 1.00 0.00 H new ATOM 0 HE22 GLN A 36 17.999 -12.920 -3.227 1.00 0.00 H new ATOM 528 N VAL A 37 11.000 -12.968 -1.093 1.00 0.00 N ATOM 529 CA VAL A 37 9.784 -12.238 -1.408 1.00 0.00 C ATOM 530 C VAL A 37 9.548 -11.166 -0.343 1.00 0.00 C ATOM 531 O VAL A 37 9.435 -9.983 -0.662 1.00 0.00 O ATOM 532 CB VAL A 37 8.611 -13.211 -1.547 1.00 0.00 C ATOM 533 CG1 VAL A 37 7.292 -12.457 -1.724 1.00 0.00 C ATOM 534 CG2 VAL A 37 8.843 -14.188 -2.702 1.00 0.00 C ATOM 0 H VAL A 37 10.853 -13.930 -0.788 1.00 0.00 H new ATOM 0 HA VAL A 37 9.882 -11.728 -2.366 1.00 0.00 H new ATOM 0 HB VAL A 37 8.545 -13.790 -0.626 1.00 0.00 H new ATOM 0 HG11 VAL A 37 6.475 -13.172 -1.820 1.00 0.00 H new ATOM 0 HG12 VAL A 37 7.117 -11.821 -0.856 1.00 0.00 H new ATOM 0 HG13 VAL A 37 7.343 -11.841 -2.622 1.00 0.00 H new ATOM 0 HG21 VAL A 37 7.995 -14.868 -2.779 1.00 0.00 H new ATOM 0 HG22 VAL A 37 8.948 -13.632 -3.634 1.00 0.00 H new ATOM 0 HG23 VAL A 37 9.752 -14.761 -2.517 1.00 0.00 H new ATOM 544 N CYS A 38 9.480 -11.617 0.901 1.00 0.00 N ATOM 545 CA CYS A 38 9.260 -10.711 2.015 1.00 0.00 C ATOM 546 C CYS A 38 10.295 -9.588 1.934 1.00 0.00 C ATOM 547 O CYS A 38 9.944 -8.410 1.987 1.00 0.00 O ATOM 548 CB CYS A 38 9.315 -11.442 3.359 1.00 0.00 C ATOM 549 SG CYS A 38 8.027 -10.787 4.481 1.00 0.00 S ATOM 0 H CYS A 38 9.573 -12.599 1.162 1.00 0.00 H new ATOM 0 HA CYS A 38 8.259 -10.286 1.948 1.00 0.00 H new ATOM 0 HB2 CYS A 38 9.167 -12.511 3.207 1.00 0.00 H new ATOM 0 HB3 CYS A 38 10.299 -11.317 3.810 1.00 0.00 H new ATOM 0 HG CYS A 38 8.588 -10.302 5.549 1.00 0.00 H new ATOM 555 N ASP A 39 11.550 -9.992 1.805 1.00 0.00 N ATOM 556 CA ASP A 39 12.639 -9.034 1.715 1.00 0.00 C ATOM 557 C ASP A 39 12.293 -7.971 0.670 1.00 0.00 C ATOM 558 O ASP A 39 12.520 -6.783 0.890 1.00 0.00 O ATOM 559 CB ASP A 39 13.939 -9.716 1.282 1.00 0.00 C ATOM 560 CG ASP A 39 15.205 -8.882 1.484 1.00 0.00 C ATOM 561 OD1 ASP A 39 15.064 -7.750 1.995 1.00 0.00 O ATOM 562 OD2 ASP A 39 16.286 -9.395 1.123 1.00 0.00 O ATOM 0 H ASP A 39 11.837 -10.970 1.761 1.00 0.00 H new ATOM 0 HA ASP A 39 12.776 -8.587 2.700 1.00 0.00 H new ATOM 0 HB2 ASP A 39 14.044 -10.649 1.836 1.00 0.00 H new ATOM 0 HB3 ASP A 39 13.860 -9.979 0.227 1.00 0.00 H new ATOM 567 N ASP A 40 11.749 -8.438 -0.444 1.00 0.00 N ATOM 568 CA ASP A 40 11.369 -7.542 -1.523 1.00 0.00 C ATOM 569 C ASP A 40 10.307 -6.563 -1.018 1.00 0.00 C ATOM 570 O ASP A 40 10.542 -5.357 -0.970 1.00 0.00 O ATOM 571 CB ASP A 40 10.775 -8.318 -2.700 1.00 0.00 C ATOM 572 CG ASP A 40 10.659 -7.527 -4.004 1.00 0.00 C ATOM 573 OD1 ASP A 40 11.658 -7.524 -4.757 1.00 0.00 O ATOM 574 OD2 ASP A 40 9.576 -6.943 -4.220 1.00 0.00 O ATOM 0 H ASP A 40 11.562 -9.425 -0.623 1.00 0.00 H new ATOM 0 HA ASP A 40 12.264 -7.014 -1.854 1.00 0.00 H new ATOM 0 HB2 ASP A 40 11.389 -9.200 -2.881 1.00 0.00 H new ATOM 0 HB3 ASP A 40 9.783 -8.673 -2.418 1.00 0.00 H new ATOM 579 N ILE A 41 9.161 -7.119 -0.653 1.00 0.00 N ATOM 580 CA ILE A 41 8.063 -6.311 -0.153 1.00 0.00 C ATOM 581 C ILE A 41 8.611 -5.245 0.798 1.00 0.00 C ATOM 582 O ILE A 41 8.535 -4.052 0.510 1.00 0.00 O ATOM 583 CB ILE A 41 6.985 -7.199 0.473 1.00 0.00 C ATOM 584 CG1 ILE A 41 6.247 -8.004 -0.599 1.00 0.00 C ATOM 585 CG2 ILE A 41 6.026 -6.373 1.332 1.00 0.00 C ATOM 586 CD1 ILE A 41 5.794 -9.359 -0.051 1.00 0.00 C ATOM 0 H ILE A 41 8.970 -8.120 -0.694 1.00 0.00 H new ATOM 0 HA ILE A 41 7.573 -5.785 -0.973 1.00 0.00 H new ATOM 0 HB ILE A 41 7.473 -7.915 1.134 1.00 0.00 H new ATOM 0 HG12 ILE A 41 5.382 -7.442 -0.950 1.00 0.00 H new ATOM 0 HG13 ILE A 41 6.899 -8.155 -1.459 1.00 0.00 H new ATOM 0 HG21 ILE A 41 5.270 -7.028 1.765 1.00 0.00 H new ATOM 0 HG22 ILE A 41 6.583 -5.883 2.131 1.00 0.00 H new ATOM 0 HG23 ILE A 41 5.541 -5.618 0.713 1.00 0.00 H new ATOM 0 HD11 ILE A 41 5.272 -9.911 -0.832 1.00 0.00 H new ATOM 0 HD12 ILE A 41 6.664 -9.928 0.277 1.00 0.00 H new ATOM 0 HD13 ILE A 41 5.123 -9.204 0.794 1.00 0.00 H new ATOM 598 N SER A 42 9.151 -5.715 1.913 1.00 0.00 N ATOM 599 CA SER A 42 9.711 -4.818 2.909 1.00 0.00 C ATOM 600 C SER A 42 10.544 -3.732 2.225 1.00 0.00 C ATOM 601 O SER A 42 10.302 -2.542 2.422 1.00 0.00 O ATOM 602 CB SER A 42 10.566 -5.583 3.922 1.00 0.00 C ATOM 603 OG SER A 42 11.647 -6.269 3.297 1.00 0.00 O ATOM 0 H SER A 42 9.212 -6.706 2.148 1.00 0.00 H new ATOM 0 HA SER A 42 8.888 -4.350 3.449 1.00 0.00 H new ATOM 0 HB2 SER A 42 10.958 -4.888 4.664 1.00 0.00 H new ATOM 0 HB3 SER A 42 9.942 -6.300 4.456 1.00 0.00 H new ATOM 0 HG SER A 42 11.411 -6.474 2.368 1.00 0.00 H new ATOM 609 N ARG A 43 11.509 -4.180 1.435 1.00 0.00 N ATOM 610 CA ARG A 43 12.379 -3.262 0.721 1.00 0.00 C ATOM 611 C ARG A 43 11.563 -2.114 0.124 1.00 0.00 C ATOM 612 O ARG A 43 12.029 -0.976 0.074 1.00 0.00 O ATOM 613 CB ARG A 43 13.135 -3.978 -0.400 1.00 0.00 C ATOM 614 CG ARG A 43 14.644 -3.946 -0.151 1.00 0.00 C ATOM 615 CD ARG A 43 15.396 -3.488 -1.403 1.00 0.00 C ATOM 616 NE ARG A 43 16.856 -3.605 -1.187 1.00 0.00 N ATOM 617 CZ ARG A 43 17.780 -3.222 -2.079 1.00 0.00 C ATOM 618 NH1 ARG A 43 17.402 -2.696 -3.251 1.00 0.00 N ATOM 619 NH2 ARG A 43 19.082 -3.366 -1.798 1.00 0.00 N ATOM 0 H ARG A 43 11.707 -5.167 1.274 1.00 0.00 H new ATOM 0 HA ARG A 43 13.101 -2.866 1.435 1.00 0.00 H new ATOM 0 HB2 ARG A 43 12.796 -5.012 -0.469 1.00 0.00 H new ATOM 0 HB3 ARG A 43 12.910 -3.504 -1.355 1.00 0.00 H new ATOM 0 HG2 ARG A 43 14.865 -3.273 0.677 1.00 0.00 H new ATOM 0 HG3 ARG A 43 14.989 -4.937 0.143 1.00 0.00 H new ATOM 0 HD2 ARG A 43 15.097 -4.093 -2.259 1.00 0.00 H new ATOM 0 HD3 ARG A 43 15.136 -2.455 -1.636 1.00 0.00 H new ATOM 0 HE ARG A 43 17.179 -4.002 -0.304 1.00 0.00 H new ATOM 0 HH11 ARG A 43 16.411 -2.587 -3.465 1.00 0.00 H new ATOM 0 HH12 ARG A 43 18.105 -2.405 -3.930 1.00 0.00 H new ATOM 0 HH21 ARG A 43 19.370 -3.767 -0.905 1.00 0.00 H new ATOM 0 HH22 ARG A 43 19.785 -3.075 -2.477 1.00 0.00 H new ATOM 633 N ARG A 44 10.359 -2.451 -0.314 1.00 0.00 N ATOM 634 CA ARG A 44 9.474 -1.462 -0.906 1.00 0.00 C ATOM 635 C ARG A 44 8.889 -0.556 0.180 1.00 0.00 C ATOM 636 O ARG A 44 8.929 0.667 0.061 1.00 0.00 O ATOM 637 CB ARG A 44 8.331 -2.133 -1.671 1.00 0.00 C ATOM 638 CG ARG A 44 8.864 -3.214 -2.613 1.00 0.00 C ATOM 639 CD ARG A 44 9.258 -2.617 -3.966 1.00 0.00 C ATOM 640 NE ARG A 44 10.215 -3.511 -4.654 1.00 0.00 N ATOM 641 CZ ARG A 44 11.528 -3.551 -4.392 1.00 0.00 C ATOM 642 NH1 ARG A 44 12.049 -2.747 -3.454 1.00 0.00 N ATOM 643 NH2 ARG A 44 12.321 -4.394 -5.067 1.00 0.00 N ATOM 0 H ARG A 44 9.975 -3.395 -0.271 1.00 0.00 H new ATOM 0 HA ARG A 44 10.062 -0.866 -1.604 1.00 0.00 H new ATOM 0 HB2 ARG A 44 7.626 -2.575 -0.966 1.00 0.00 H new ATOM 0 HB3 ARG A 44 7.783 -1.385 -2.243 1.00 0.00 H new ATOM 0 HG2 ARG A 44 9.728 -3.701 -2.161 1.00 0.00 H new ATOM 0 HG3 ARG A 44 8.104 -3.982 -2.758 1.00 0.00 H new ATOM 0 HD2 ARG A 44 8.371 -2.477 -4.583 1.00 0.00 H new ATOM 0 HD3 ARG A 44 9.705 -1.633 -3.822 1.00 0.00 H new ATOM 0 HE ARG A 44 9.852 -4.136 -5.373 1.00 0.00 H new ATOM 0 HH11 ARG A 44 11.446 -2.105 -2.940 1.00 0.00 H new ATOM 0 HH12 ARG A 44 13.049 -2.777 -3.254 1.00 0.00 H new ATOM 0 HH21 ARG A 44 11.925 -5.006 -5.781 1.00 0.00 H new ATOM 0 HH22 ARG A 44 13.321 -4.424 -4.867 1.00 0.00 H new ATOM 657 N LEU A 45 8.358 -1.192 1.214 1.00 0.00 N ATOM 658 CA LEU A 45 7.766 -0.459 2.320 1.00 0.00 C ATOM 659 C LEU A 45 8.730 0.639 2.773 1.00 0.00 C ATOM 660 O LEU A 45 8.341 1.800 2.892 1.00 0.00 O ATOM 661 CB LEU A 45 7.356 -1.418 3.440 1.00 0.00 C ATOM 662 CG LEU A 45 6.468 -2.593 3.026 1.00 0.00 C ATOM 663 CD1 LEU A 45 5.895 -3.306 4.252 1.00 0.00 C ATOM 664 CD2 LEU A 45 5.369 -2.137 2.063 1.00 0.00 C ATOM 0 H LEU A 45 8.325 -2.207 1.309 1.00 0.00 H new ATOM 0 HA LEU A 45 6.848 0.034 2.002 1.00 0.00 H new ATOM 0 HB2 LEU A 45 8.261 -1.816 3.899 1.00 0.00 H new ATOM 0 HB3 LEU A 45 6.834 -0.847 4.207 1.00 0.00 H new ATOM 0 HG LEU A 45 7.085 -3.316 2.492 1.00 0.00 H new ATOM 0 HD11 LEU A 45 5.268 -4.137 3.929 1.00 0.00 H new ATOM 0 HD12 LEU A 45 6.711 -3.685 4.867 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.297 -2.605 4.834 1.00 0.00 H new ATOM 0 HD21 LEU A 45 4.752 -2.991 1.784 1.00 0.00 H new ATOM 0 HD22 LEU A 45 4.748 -1.384 2.549 1.00 0.00 H new ATOM 0 HD23 LEU A 45 5.823 -1.710 1.169 1.00 0.00 H new ATOM 676 N ALA A 46 9.968 0.234 3.013 1.00 0.00 N ATOM 677 CA ALA A 46 10.990 1.169 3.450 1.00 0.00 C ATOM 678 C ALA A 46 10.951 2.413 2.560 1.00 0.00 C ATOM 679 O ALA A 46 11.268 3.513 3.010 1.00 0.00 O ATOM 680 CB ALA A 46 12.356 0.480 3.428 1.00 0.00 C ATOM 0 H ALA A 46 10.287 -0.730 2.913 1.00 0.00 H new ATOM 0 HA ALA A 46 10.803 1.490 4.475 1.00 0.00 H new ATOM 0 HB1 ALA A 46 13.123 1.182 3.756 1.00 0.00 H new ATOM 0 HB2 ALA A 46 12.341 -0.380 4.098 1.00 0.00 H new ATOM 0 HB3 ALA A 46 12.579 0.146 2.415 1.00 0.00 H new ATOM 686 N LEU A 47 10.560 2.197 1.312 1.00 0.00 N ATOM 687 CA LEU A 47 10.475 3.287 0.355 1.00 0.00 C ATOM 688 C LEU A 47 9.182 4.070 0.593 1.00 0.00 C ATOM 689 O LEU A 47 9.220 5.258 0.908 1.00 0.00 O ATOM 690 CB LEU A 47 10.620 2.759 -1.073 1.00 0.00 C ATOM 691 CG LEU A 47 11.112 3.766 -2.114 1.00 0.00 C ATOM 692 CD1 LEU A 47 11.570 3.056 -3.390 1.00 0.00 C ATOM 693 CD2 LEU A 47 10.046 4.825 -2.399 1.00 0.00 C ATOM 0 H LEU A 47 10.299 1.283 0.942 1.00 0.00 H new ATOM 0 HA LEU A 47 11.301 3.984 0.498 1.00 0.00 H new ATOM 0 HB2 LEU A 47 11.310 1.915 -1.059 1.00 0.00 H new ATOM 0 HB3 LEU A 47 9.653 2.375 -1.397 1.00 0.00 H new ATOM 0 HG LEU A 47 11.979 4.284 -1.705 1.00 0.00 H new ATOM 0 HD11 LEU A 47 11.915 3.795 -4.114 1.00 0.00 H new ATOM 0 HD12 LEU A 47 12.385 2.372 -3.153 1.00 0.00 H new ATOM 0 HD13 LEU A 47 10.737 2.495 -3.813 1.00 0.00 H new ATOM 0 HD21 LEU A 47 10.421 5.528 -3.142 1.00 0.00 H new ATOM 0 HD22 LEU A 47 9.146 4.342 -2.779 1.00 0.00 H new ATOM 0 HD23 LEU A 47 9.810 5.361 -1.479 1.00 0.00 H new ATOM 705 N LEU A 48 8.068 3.371 0.433 1.00 0.00 N ATOM 706 CA LEU A 48 6.765 3.986 0.627 1.00 0.00 C ATOM 707 C LEU A 48 6.816 4.905 1.849 1.00 0.00 C ATOM 708 O LEU A 48 6.169 5.951 1.870 1.00 0.00 O ATOM 709 CB LEU A 48 5.674 2.916 0.707 1.00 0.00 C ATOM 710 CG LEU A 48 4.344 3.359 1.320 1.00 0.00 C ATOM 711 CD1 LEU A 48 3.720 4.496 0.510 1.00 0.00 C ATOM 712 CD2 LEU A 48 3.389 2.173 1.473 1.00 0.00 C ATOM 0 H LEU A 48 8.040 2.385 0.171 1.00 0.00 H new ATOM 0 HA LEU A 48 6.506 4.609 -0.230 1.00 0.00 H new ATOM 0 HB2 LEU A 48 5.482 2.545 -0.300 1.00 0.00 H new ATOM 0 HB3 LEU A 48 6.057 2.077 1.288 1.00 0.00 H new ATOM 0 HG LEU A 48 4.540 3.746 2.320 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.776 4.792 0.967 1.00 0.00 H new ATOM 0 HD12 LEU A 48 4.399 5.348 0.496 1.00 0.00 H new ATOM 0 HD13 LEU A 48 3.539 4.159 -0.511 1.00 0.00 H new ATOM 0 HD21 LEU A 48 2.451 2.515 1.911 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.194 1.734 0.494 1.00 0.00 H new ATOM 0 HD23 LEU A 48 3.841 1.424 2.123 1.00 0.00 H new ATOM 724 N ARG A 49 7.591 4.482 2.836 1.00 0.00 N ATOM 725 CA ARG A 49 7.735 5.254 4.058 1.00 0.00 C ATOM 726 C ARG A 49 8.617 6.480 3.811 1.00 0.00 C ATOM 727 O ARG A 49 8.286 7.584 4.240 1.00 0.00 O ATOM 728 CB ARG A 49 8.351 4.408 5.175 1.00 0.00 C ATOM 729 CG ARG A 49 8.634 5.259 6.415 1.00 0.00 C ATOM 730 CD ARG A 49 9.372 4.446 7.481 1.00 0.00 C ATOM 731 NE ARG A 49 10.056 5.356 8.426 1.00 0.00 N ATOM 732 CZ ARG A 49 10.707 4.947 9.524 1.00 0.00 C ATOM 733 NH1 ARG A 49 10.766 3.642 9.821 1.00 0.00 N ATOM 734 NH2 ARG A 49 11.299 5.843 10.325 1.00 0.00 N ATOM 0 H ARG A 49 8.126 3.614 2.814 1.00 0.00 H new ATOM 0 HA ARG A 49 6.740 5.574 4.367 1.00 0.00 H new ATOM 0 HB2 ARG A 49 7.674 3.594 5.435 1.00 0.00 H new ATOM 0 HB3 ARG A 49 9.277 3.953 4.823 1.00 0.00 H new ATOM 0 HG2 ARG A 49 9.231 6.127 6.136 1.00 0.00 H new ATOM 0 HG3 ARG A 49 7.696 5.635 6.824 1.00 0.00 H new ATOM 0 HD2 ARG A 49 8.668 3.812 8.019 1.00 0.00 H new ATOM 0 HD3 ARG A 49 10.099 3.786 7.008 1.00 0.00 H new ATOM 0 HE ARG A 49 10.031 6.357 8.230 1.00 0.00 H new ATOM 0 HH11 ARG A 49 10.315 2.959 9.212 1.00 0.00 H new ATOM 0 HH12 ARG A 49 11.261 3.331 10.657 1.00 0.00 H new ATOM 0 HH21 ARG A 49 11.254 6.837 10.099 1.00 0.00 H new ATOM 0 HH22 ARG A 49 11.794 5.531 11.160 1.00 0.00 H new ATOM 748 N GLU A 50 9.723 6.244 3.121 1.00 0.00 N ATOM 749 CA GLU A 50 10.655 7.315 2.811 1.00 0.00 C ATOM 750 C GLU A 50 9.993 8.346 1.895 1.00 0.00 C ATOM 751 O GLU A 50 10.195 9.548 2.059 1.00 0.00 O ATOM 752 CB GLU A 50 11.935 6.763 2.181 1.00 0.00 C ATOM 753 CG GLU A 50 11.873 6.844 0.654 1.00 0.00 C ATOM 754 CD GLU A 50 13.139 6.261 0.023 1.00 0.00 C ATOM 755 OE1 GLU A 50 13.612 5.230 0.548 1.00 0.00 O ATOM 756 OE2 GLU A 50 13.605 6.859 -0.971 1.00 0.00 O ATOM 0 H GLU A 50 9.995 5.327 2.768 1.00 0.00 H new ATOM 0 HA GLU A 50 10.932 7.810 3.742 1.00 0.00 H new ATOM 0 HB2 GLU A 50 12.795 7.325 2.544 1.00 0.00 H new ATOM 0 HB3 GLU A 50 12.079 5.727 2.488 1.00 0.00 H new ATOM 0 HG2 GLU A 50 10.999 6.302 0.293 1.00 0.00 H new ATOM 0 HG3 GLU A 50 11.754 7.883 0.346 1.00 0.00 H new ATOM 763 N GLN A 51 9.215 7.838 0.950 1.00 0.00 N ATOM 764 CA GLN A 51 8.523 8.700 0.007 1.00 0.00 C ATOM 765 C GLN A 51 7.383 9.444 0.707 1.00 0.00 C ATOM 766 O GLN A 51 7.120 10.608 0.407 1.00 0.00 O ATOM 767 CB GLN A 51 8.002 7.900 -1.188 1.00 0.00 C ATOM 768 CG GLN A 51 9.087 7.739 -2.255 1.00 0.00 C ATOM 769 CD GLN A 51 8.537 7.030 -3.494 1.00 0.00 C ATOM 770 OE1 GLN A 51 7.409 6.567 -3.526 1.00 0.00 O ATOM 771 NE2 GLN A 51 9.395 6.971 -4.509 1.00 0.00 N ATOM 0 H GLN A 51 9.049 6.840 0.817 1.00 0.00 H new ATOM 0 HA GLN A 51 9.233 9.435 -0.372 1.00 0.00 H new ATOM 0 HB2 GLN A 51 7.666 6.918 -0.854 1.00 0.00 H new ATOM 0 HB3 GLN A 51 7.136 8.404 -1.618 1.00 0.00 H new ATOM 0 HG2 GLN A 51 9.475 8.718 -2.534 1.00 0.00 H new ATOM 0 HG3 GLN A 51 9.922 7.170 -1.847 1.00 0.00 H new ATOM 0 HE21 GLN A 51 10.325 7.379 -4.415 1.00 0.00 H new ATOM 0 HE22 GLN A 51 9.123 6.517 -5.381 1.00 0.00 H new ATOM 780 N TRP A 52 6.738 8.742 1.627 1.00 0.00 N ATOM 781 CA TRP A 52 5.633 9.321 2.371 1.00 0.00 C ATOM 782 C TRP A 52 6.193 10.431 3.263 1.00 0.00 C ATOM 783 O TRP A 52 5.750 11.576 3.187 1.00 0.00 O ATOM 784 CB TRP A 52 4.878 8.247 3.157 1.00 0.00 C ATOM 785 CG TRP A 52 3.566 8.734 3.775 1.00 0.00 C ATOM 786 CD1 TRP A 52 3.374 9.790 4.578 1.00 0.00 C ATOM 787 CD2 TRP A 52 2.263 8.137 3.607 1.00 0.00 C ATOM 788 NE1 TRP A 52 2.048 9.917 4.938 1.00 0.00 N ATOM 789 CE2 TRP A 52 1.350 8.880 4.328 1.00 0.00 C ATOM 790 CE3 TRP A 52 1.868 7.008 2.869 1.00 0.00 C ATOM 791 CZ2 TRP A 52 -0.015 8.574 4.383 1.00 0.00 C ATOM 792 CZ3 TRP A 52 0.500 6.715 2.935 1.00 0.00 C ATOM 793 CH2 TRP A 52 -0.431 7.453 3.656 1.00 0.00 C ATOM 0 H TRP A 52 6.960 7.777 1.874 1.00 0.00 H new ATOM 0 HA TRP A 52 4.899 9.756 1.693 1.00 0.00 H new ATOM 0 HB2 TRP A 52 4.666 7.408 2.494 1.00 0.00 H new ATOM 0 HB3 TRP A 52 5.524 7.871 3.951 1.00 0.00 H new ATOM 0 HD1 TRP A 52 4.159 10.458 4.902 1.00 0.00 H new ATOM 0 HE1 TRP A 52 1.652 10.639 5.541 1.00 0.00 H new ATOM 0 HE3 TRP A 52 2.564 6.413 2.296 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 -0.709 9.171 4.956 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 0.144 5.855 2.387 1.00 0.00 H new ATOM 0 HH2 TRP A 52 -1.471 7.163 3.655 1.00 0.00 H new ATOM 804 N ALA A 53 7.160 10.053 4.086 1.00 0.00 N ATOM 805 CA ALA A 53 7.786 11.002 4.991 1.00 0.00 C ATOM 806 C ALA A 53 8.564 12.038 4.178 1.00 0.00 C ATOM 807 O ALA A 53 8.315 13.237 4.293 1.00 0.00 O ATOM 808 CB ALA A 53 8.676 10.251 5.983 1.00 0.00 C ATOM 0 H ALA A 53 7.525 9.103 4.145 1.00 0.00 H new ATOM 0 HA ALA A 53 7.032 11.536 5.569 1.00 0.00 H new ATOM 0 HB1 ALA A 53 9.146 10.963 6.662 1.00 0.00 H new ATOM 0 HB2 ALA A 53 8.070 9.549 6.556 1.00 0.00 H new ATOM 0 HB3 ALA A 53 9.447 9.705 5.439 1.00 0.00 H new ATOM 814 N GLY A 54 9.491 11.538 3.374 1.00 0.00 N ATOM 815 CA GLY A 54 10.307 12.406 2.542 1.00 0.00 C ATOM 816 C GLY A 54 9.488 13.584 2.010 1.00 0.00 C ATOM 817 O GLY A 54 10.013 14.684 1.843 1.00 0.00 O ATOM 0 H GLY A 54 9.695 10.543 3.281 1.00 0.00 H new ATOM 0 HA2 GLY A 54 11.153 12.778 3.119 1.00 0.00 H new ATOM 0 HA3 GLY A 54 10.716 11.836 1.707 1.00 0.00 H new ATOM 821 N GLY A 55 8.216 13.314 1.759 1.00 0.00 N ATOM 822 CA GLY A 55 7.320 14.337 1.249 1.00 0.00 C ATOM 823 C GLY A 55 7.250 14.294 -0.278 1.00 0.00 C ATOM 824 O GLY A 55 7.015 15.315 -0.922 1.00 0.00 O ATOM 0 H GLY A 55 7.784 12.401 1.899 1.00 0.00 H new ATOM 0 HA2 GLY A 55 6.323 14.193 1.666 1.00 0.00 H new ATOM 0 HA3 GLY A 55 7.663 15.320 1.573 1.00 0.00 H new ATOM 828 N LYS A 56 7.458 13.100 -0.815 1.00 0.00 N ATOM 829 CA LYS A 56 7.422 12.910 -2.255 1.00 0.00 C ATOM 830 C LYS A 56 6.036 12.409 -2.664 1.00 0.00 C ATOM 831 O LYS A 56 5.702 12.391 -3.848 1.00 0.00 O ATOM 832 CB LYS A 56 8.564 11.996 -2.703 1.00 0.00 C ATOM 833 CG LYS A 56 9.903 12.736 -2.673 1.00 0.00 C ATOM 834 CD LYS A 56 10.377 13.070 -4.089 1.00 0.00 C ATOM 835 CE LYS A 56 11.714 13.814 -4.058 1.00 0.00 C ATOM 836 NZ LYS A 56 12.820 12.908 -4.441 1.00 0.00 N ATOM 0 H LYS A 56 7.652 12.255 -0.278 1.00 0.00 H new ATOM 0 HA LYS A 56 7.583 13.858 -2.769 1.00 0.00 H new ATOM 0 HB2 LYS A 56 8.612 11.123 -2.052 1.00 0.00 H new ATOM 0 HB3 LYS A 56 8.368 11.631 -3.711 1.00 0.00 H new ATOM 0 HG2 LYS A 56 9.802 13.654 -2.093 1.00 0.00 H new ATOM 0 HG3 LYS A 56 10.651 12.122 -2.171 1.00 0.00 H new ATOM 0 HD2 LYS A 56 10.481 12.152 -4.668 1.00 0.00 H new ATOM 0 HD3 LYS A 56 9.628 13.681 -4.592 1.00 0.00 H new ATOM 0 HE2 LYS A 56 11.680 14.664 -4.739 1.00 0.00 H new ATOM 0 HE3 LYS A 56 11.892 14.213 -3.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 13.720 13.428 -4.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 12.862 12.110 -3.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 12.656 12.548 -5.403 1.00 0.00 H new ATOM 850 N LEU A 57 5.265 12.013 -1.661 1.00 0.00 N ATOM 851 CA LEU A 57 3.923 11.512 -1.902 1.00 0.00 C ATOM 852 C LEU A 57 2.937 12.683 -1.894 1.00 0.00 C ATOM 853 O LEU A 57 3.105 13.634 -1.133 1.00 0.00 O ATOM 854 CB LEU A 57 3.575 10.409 -0.901 1.00 0.00 C ATOM 855 CG LEU A 57 4.443 9.151 -0.960 1.00 0.00 C ATOM 856 CD1 LEU A 57 4.015 8.138 0.103 1.00 0.00 C ATOM 857 CD2 LEU A 57 4.435 8.545 -2.365 1.00 0.00 C ATOM 0 H LEU A 57 5.545 12.029 -0.680 1.00 0.00 H new ATOM 0 HA LEU A 57 3.861 11.048 -2.887 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.641 10.825 0.105 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.537 10.117 -1.058 1.00 0.00 H new ATOM 0 HG LEU A 57 5.471 9.436 -0.737 1.00 0.00 H new ATOM 0 HD11 LEU A 57 4.649 7.253 0.039 1.00 0.00 H new ATOM 0 HD12 LEU A 57 4.115 8.585 1.092 1.00 0.00 H new ATOM 0 HD13 LEU A 57 2.976 7.853 -0.063 1.00 0.00 H new ATOM 0 HD21 LEU A 57 5.060 7.652 -2.380 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.415 8.279 -2.641 1.00 0.00 H new ATOM 0 HD23 LEU A 57 4.825 9.272 -3.077 1.00 0.00 H new ATOM 869 N SER A 58 1.932 12.574 -2.750 1.00 0.00 N ATOM 870 CA SER A 58 0.920 13.612 -2.851 1.00 0.00 C ATOM 871 C SER A 58 -0.150 13.405 -1.777 1.00 0.00 C ATOM 872 O SER A 58 -0.388 12.280 -1.341 1.00 0.00 O ATOM 873 CB SER A 58 0.281 13.625 -4.241 1.00 0.00 C ATOM 874 OG SER A 58 1.208 13.254 -5.258 1.00 0.00 O ATOM 0 H SER A 58 1.797 11.783 -3.380 1.00 0.00 H new ATOM 0 HA SER A 58 1.402 14.577 -2.694 1.00 0.00 H new ATOM 0 HB2 SER A 58 -0.567 12.941 -4.256 1.00 0.00 H new ATOM 0 HB3 SER A 58 -0.109 14.621 -4.452 1.00 0.00 H new ATOM 0 HG SER A 58 0.789 12.605 -5.862 1.00 0.00 H new ATOM 880 N ILE A 59 -0.768 14.509 -1.382 1.00 0.00 N ATOM 881 CA ILE A 59 -1.807 14.463 -0.368 1.00 0.00 C ATOM 882 C ILE A 59 -2.911 13.505 -0.818 1.00 0.00 C ATOM 883 O ILE A 59 -3.383 12.682 -0.034 1.00 0.00 O ATOM 884 CB ILE A 59 -2.309 15.873 -0.051 1.00 0.00 C ATOM 885 CG1 ILE A 59 -1.318 16.619 0.845 1.00 0.00 C ATOM 886 CG2 ILE A 59 -3.712 15.832 0.557 1.00 0.00 C ATOM 887 CD1 ILE A 59 -1.175 18.078 0.409 1.00 0.00 C ATOM 0 H ILE A 59 -0.569 15.441 -1.746 1.00 0.00 H new ATOM 0 HA ILE A 59 -1.408 14.073 0.568 1.00 0.00 H new ATOM 0 HB ILE A 59 -2.380 16.429 -0.986 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -1.656 16.577 1.881 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -0.346 16.127 0.806 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -4.045 16.847 0.773 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -4.401 15.367 -0.148 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -3.692 15.253 1.480 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -0.465 18.585 1.062 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.814 18.117 -0.619 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -2.144 18.573 0.472 1.00 0.00 H new ATOM 899 N PRO A 60 -3.302 13.646 -2.113 1.00 0.00 N ATOM 900 CA PRO A 60 -4.342 12.802 -2.677 1.00 0.00 C ATOM 901 C PRO A 60 -3.815 11.393 -2.954 1.00 0.00 C ATOM 902 O PRO A 60 -4.574 10.508 -3.346 1.00 0.00 O ATOM 903 CB PRO A 60 -4.795 13.524 -3.936 1.00 0.00 C ATOM 904 CG PRO A 60 -3.682 14.500 -4.280 1.00 0.00 C ATOM 905 CD PRO A 60 -2.767 14.609 -3.071 1.00 0.00 C ATOM 0 HA PRO A 60 -5.179 12.654 -1.995 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -4.963 12.820 -4.751 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -5.736 14.048 -3.769 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -3.125 14.152 -5.150 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -4.095 15.476 -4.535 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -1.735 14.375 -3.333 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -2.771 15.619 -2.661 1.00 0.00 H new ATOM 913 N VAL A 61 -2.518 11.228 -2.739 1.00 0.00 N ATOM 914 CA VAL A 61 -1.880 9.941 -2.961 1.00 0.00 C ATOM 915 C VAL A 61 -1.908 9.133 -1.662 1.00 0.00 C ATOM 916 O VAL A 61 -1.733 7.916 -1.680 1.00 0.00 O ATOM 917 CB VAL A 61 -0.466 10.145 -3.508 1.00 0.00 C ATOM 918 CG1 VAL A 61 0.506 9.128 -2.906 1.00 0.00 C ATOM 919 CG2 VAL A 61 -0.454 10.078 -5.036 1.00 0.00 C ATOM 0 H VAL A 61 -1.891 11.964 -2.413 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.425 9.369 -3.712 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.133 11.141 -3.215 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.504 9.295 -3.311 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.530 9.245 -1.823 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.177 8.119 -3.155 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.563 10.226 -5.399 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -0.816 9.103 -5.360 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.100 10.858 -5.439 1.00 0.00 H new ATOM 929 N LYS A 62 -2.130 9.843 -0.565 1.00 0.00 N ATOM 930 CA LYS A 62 -2.184 9.206 0.740 1.00 0.00 C ATOM 931 C LYS A 62 -3.637 8.871 1.080 1.00 0.00 C ATOM 932 O LYS A 62 -3.946 7.741 1.453 1.00 0.00 O ATOM 933 CB LYS A 62 -1.491 10.078 1.789 1.00 0.00 C ATOM 934 CG LYS A 62 -0.585 11.118 1.128 1.00 0.00 C ATOM 935 CD LYS A 62 0.361 11.751 2.150 1.00 0.00 C ATOM 936 CE LYS A 62 1.482 12.526 1.454 1.00 0.00 C ATOM 937 NZ LYS A 62 1.739 13.805 2.153 1.00 0.00 N ATOM 0 H LYS A 62 -2.274 10.853 -0.553 1.00 0.00 H new ATOM 0 HA LYS A 62 -1.635 8.264 0.728 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -2.240 10.580 2.401 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -0.902 9.450 2.457 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -0.006 10.648 0.333 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -1.194 11.893 0.663 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -0.199 12.421 2.802 1.00 0.00 H new ATOM 0 HD3 LYS A 62 0.790 10.975 2.783 1.00 0.00 H new ATOM 0 HE2 LYS A 62 2.391 11.925 1.437 1.00 0.00 H new ATOM 0 HE3 LYS A 62 1.208 12.720 0.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 2.502 14.318 1.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 0.875 14.383 2.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 2.021 13.613 3.136 1.00 0.00 H new ATOM 951 N LYS A 63 -4.491 9.875 0.939 1.00 0.00 N ATOM 952 CA LYS A 63 -5.904 9.701 1.227 1.00 0.00 C ATOM 953 C LYS A 63 -6.446 8.527 0.408 1.00 0.00 C ATOM 954 O LYS A 63 -7.393 7.861 0.824 1.00 0.00 O ATOM 955 CB LYS A 63 -6.662 11.010 1.000 1.00 0.00 C ATOM 956 CG LYS A 63 -7.236 11.546 2.314 1.00 0.00 C ATOM 957 CD LYS A 63 -6.717 12.955 2.605 1.00 0.00 C ATOM 958 CE LYS A 63 -5.223 12.932 2.933 1.00 0.00 C ATOM 959 NZ LYS A 63 -4.993 12.325 4.263 1.00 0.00 N ATOM 0 H LYS A 63 -4.231 10.811 0.629 1.00 0.00 H new ATOM 0 HA LYS A 63 -6.051 9.452 2.278 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -5.993 11.751 0.562 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -7.469 10.848 0.286 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -8.325 11.559 2.261 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.965 10.879 3.132 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -6.894 13.597 1.742 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -7.270 13.385 3.440 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -4.686 12.367 2.171 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -4.825 13.947 2.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -4.618 13.045 4.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -5.891 11.956 4.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -4.309 11.547 4.176 1.00 0.00 H new ATOM 973 N ARG A 64 -5.823 8.310 -0.740 1.00 0.00 N ATOM 974 CA ARG A 64 -6.230 7.228 -1.621 1.00 0.00 C ATOM 975 C ARG A 64 -5.619 5.906 -1.154 1.00 0.00 C ATOM 976 O ARG A 64 -6.260 4.859 -1.236 1.00 0.00 O ATOM 977 CB ARG A 64 -5.800 7.501 -3.063 1.00 0.00 C ATOM 978 CG ARG A 64 -7.014 7.589 -3.990 1.00 0.00 C ATOM 979 CD ARG A 64 -6.730 8.508 -5.180 1.00 0.00 C ATOM 980 NE ARG A 64 -7.983 8.779 -5.920 1.00 0.00 N ATOM 981 CZ ARG A 64 -8.029 9.168 -7.202 1.00 0.00 C ATOM 982 NH1 ARG A 64 -6.893 9.333 -7.893 1.00 0.00 N ATOM 983 NH2 ARG A 64 -9.211 9.391 -7.792 1.00 0.00 N ATOM 0 H ARG A 64 -5.038 8.865 -1.081 1.00 0.00 H new ATOM 0 HA ARG A 64 -7.317 7.162 -1.585 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -5.236 8.432 -3.108 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -5.134 6.708 -3.404 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -7.275 6.593 -4.349 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -7.874 7.963 -3.434 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -6.294 9.444 -4.831 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -6.000 8.044 -5.843 1.00 0.00 H new ATOM 0 HE ARG A 64 -8.866 8.663 -5.424 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -5.993 9.163 -7.444 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -6.928 9.629 -8.868 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -10.076 9.265 -7.266 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -9.246 9.687 -8.767 1.00 0.00 H new ATOM 997 N MET A 65 -4.387 5.996 -0.676 1.00 0.00 N ATOM 998 CA MET A 65 -3.683 4.819 -0.196 1.00 0.00 C ATOM 999 C MET A 65 -4.415 4.186 0.989 1.00 0.00 C ATOM 1000 O MET A 65 -4.832 3.031 0.921 1.00 0.00 O ATOM 1001 CB MET A 65 -2.265 5.210 0.228 1.00 0.00 C ATOM 1002 CG MET A 65 -1.221 4.534 -0.663 1.00 0.00 C ATOM 1003 SD MET A 65 0.084 3.845 0.342 1.00 0.00 S ATOM 1004 CE MET A 65 -0.693 2.324 0.858 1.00 0.00 C ATOM 0 H MET A 65 -3.858 6.866 -0.611 1.00 0.00 H new ATOM 0 HA MET A 65 -3.642 4.089 -1.004 1.00 0.00 H new ATOM 0 HB2 MET A 65 -2.150 6.292 0.172 1.00 0.00 H new ATOM 0 HB3 MET A 65 -2.101 4.925 1.267 1.00 0.00 H new ATOM 0 HG2 MET A 65 -1.690 3.747 -1.254 1.00 0.00 H new ATOM 0 HG3 MET A 65 -0.807 5.257 -1.366 1.00 0.00 H new ATOM 0 HE1 MET A 65 -0.844 2.341 1.937 1.00 0.00 H new ATOM 0 HE2 MET A 65 -1.656 2.220 0.358 1.00 0.00 H new ATOM 0 HE3 MET A 65 -0.054 1.481 0.594 1.00 0.00 H new ATOM 1014 N ALA A 66 -4.548 4.971 2.048 1.00 0.00 N ATOM 1015 CA ALA A 66 -5.222 4.502 3.247 1.00 0.00 C ATOM 1016 C ALA A 66 -6.426 3.647 2.848 1.00 0.00 C ATOM 1017 O ALA A 66 -6.745 2.666 3.518 1.00 0.00 O ATOM 1018 CB ALA A 66 -5.619 5.701 4.111 1.00 0.00 C ATOM 0 H ALA A 66 -4.201 5.929 2.101 1.00 0.00 H new ATOM 0 HA ALA A 66 -4.556 3.877 3.842 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -6.125 5.350 5.010 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -4.726 6.259 4.391 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -6.290 6.349 3.547 1.00 0.00 H new ATOM 1024 N LEU A 67 -7.063 4.050 1.758 1.00 0.00 N ATOM 1025 CA LEU A 67 -8.225 3.332 1.262 1.00 0.00 C ATOM 1026 C LEU A 67 -7.872 1.853 1.093 1.00 0.00 C ATOM 1027 O LEU A 67 -8.447 0.994 1.759 1.00 0.00 O ATOM 1028 CB LEU A 67 -8.754 3.988 -0.015 1.00 0.00 C ATOM 1029 CG LEU A 67 -8.883 5.512 0.017 1.00 0.00 C ATOM 1030 CD1 LEU A 67 -9.731 6.015 -1.153 1.00 0.00 C ATOM 1031 CD2 LEU A 67 -9.426 5.988 1.366 1.00 0.00 C ATOM 0 H LEU A 67 -6.796 4.864 1.205 1.00 0.00 H new ATOM 0 HA LEU A 67 -9.042 3.384 1.982 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -8.094 3.716 -0.839 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -9.734 3.565 -0.238 1.00 0.00 H new ATOM 0 HG LEU A 67 -7.888 5.942 -0.099 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -9.807 7.101 -1.107 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -9.263 5.724 -2.093 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -10.728 5.579 -1.094 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -9.508 7.075 1.362 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -10.410 5.551 1.537 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -8.748 5.678 2.161 1.00 0.00 H new ATOM 1043 N LEU A 68 -6.928 1.601 0.198 1.00 0.00 N ATOM 1044 CA LEU A 68 -6.492 0.241 -0.066 1.00 0.00 C ATOM 1045 C LEU A 68 -6.177 -0.456 1.259 1.00 0.00 C ATOM 1046 O LEU A 68 -6.527 -1.619 1.451 1.00 0.00 O ATOM 1047 CB LEU A 68 -5.325 0.235 -1.056 1.00 0.00 C ATOM 1048 CG LEU A 68 -4.341 -0.929 -0.927 1.00 0.00 C ATOM 1049 CD1 LEU A 68 -3.801 -1.346 -2.296 1.00 0.00 C ATOM 1050 CD2 LEU A 68 -3.216 -0.589 0.054 1.00 0.00 C ATOM 0 H LEU A 68 -6.453 2.316 -0.353 1.00 0.00 H new ATOM 0 HA LEU A 68 -7.289 -0.328 -0.544 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -5.732 0.230 -2.067 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -4.772 1.167 -0.940 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.877 -1.786 -0.519 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.104 -2.175 -2.175 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -4.628 -1.657 -2.934 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.286 -0.503 -2.756 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.530 -1.433 0.128 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -2.675 0.288 -0.302 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -3.640 -0.380 1.036 1.00 0.00 H new ATOM 1062 N VAL A 69 -5.519 0.284 2.139 1.00 0.00 N ATOM 1063 CA VAL A 69 -5.153 -0.248 3.440 1.00 0.00 C ATOM 1064 C VAL A 69 -6.422 -0.639 4.201 1.00 0.00 C ATOM 1065 O VAL A 69 -6.630 -1.812 4.507 1.00 0.00 O ATOM 1066 CB VAL A 69 -4.290 0.765 4.196 1.00 0.00 C ATOM 1067 CG1 VAL A 69 -4.160 0.381 5.671 1.00 0.00 C ATOM 1068 CG2 VAL A 69 -2.914 0.908 3.543 1.00 0.00 C ATOM 0 H VAL A 69 -5.230 1.248 1.976 1.00 0.00 H new ATOM 0 HA VAL A 69 -4.550 -1.149 3.329 1.00 0.00 H new ATOM 0 HB VAL A 69 -4.787 1.734 4.145 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -3.542 1.117 6.185 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -5.149 0.354 6.129 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -3.696 -0.602 5.752 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -2.321 1.634 4.100 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -2.406 -0.057 3.549 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -3.033 1.249 2.515 1.00 0.00 H new ATOM 1078 N GLN A 70 -7.236 0.367 4.486 1.00 0.00 N ATOM 1079 CA GLN A 70 -8.478 0.143 5.205 1.00 0.00 C ATOM 1080 C GLN A 70 -9.121 -1.172 4.759 1.00 0.00 C ATOM 1081 O GLN A 70 -9.688 -1.897 5.574 1.00 0.00 O ATOM 1082 CB GLN A 70 -9.442 1.317 5.015 1.00 0.00 C ATOM 1083 CG GLN A 70 -8.997 2.529 5.835 1.00 0.00 C ATOM 1084 CD GLN A 70 -9.130 2.256 7.335 1.00 0.00 C ATOM 1085 OE1 GLN A 70 -9.908 1.424 7.773 1.00 0.00 O ATOM 1086 NE2 GLN A 70 -8.331 3.000 8.093 1.00 0.00 N ATOM 0 H GLN A 70 -7.059 1.339 4.232 1.00 0.00 H new ATOM 0 HA GLN A 70 -8.250 0.071 6.269 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -9.491 1.585 3.960 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -10.447 1.019 5.315 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -7.962 2.773 5.597 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -9.600 3.396 5.565 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -7.704 3.678 7.660 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -8.345 2.893 9.107 1.00 0.00 H new ATOM 1095 N GLU A 71 -9.011 -1.438 3.466 1.00 0.00 N ATOM 1096 CA GLU A 71 -9.574 -2.653 2.902 1.00 0.00 C ATOM 1097 C GLU A 71 -8.759 -3.871 3.343 1.00 0.00 C ATOM 1098 O GLU A 71 -9.316 -4.847 3.841 1.00 0.00 O ATOM 1099 CB GLU A 71 -9.648 -2.566 1.376 1.00 0.00 C ATOM 1100 CG GLU A 71 -10.332 -1.271 0.933 1.00 0.00 C ATOM 1101 CD GLU A 71 -11.852 -1.444 0.883 1.00 0.00 C ATOM 1102 OE1 GLU A 71 -12.363 -2.217 1.722 1.00 0.00 O ATOM 1103 OE2 GLU A 71 -12.467 -0.799 0.007 1.00 0.00 O ATOM 0 H GLU A 71 -8.540 -0.833 2.793 1.00 0.00 H new ATOM 0 HA GLU A 71 -10.591 -2.766 3.277 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -8.643 -2.613 0.956 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -10.197 -3.423 0.986 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -10.076 -0.466 1.622 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -9.963 -0.978 -0.050 1.00 0.00 H new ATOM 1110 N LEU A 72 -7.453 -3.772 3.143 1.00 0.00 N ATOM 1111 CA LEU A 72 -6.556 -4.854 3.513 1.00 0.00 C ATOM 1112 C LEU A 72 -6.805 -5.240 4.973 1.00 0.00 C ATOM 1113 O LEU A 72 -6.471 -6.348 5.391 1.00 0.00 O ATOM 1114 CB LEU A 72 -5.104 -4.470 3.219 1.00 0.00 C ATOM 1115 CG LEU A 72 -4.128 -5.634 3.031 1.00 0.00 C ATOM 1116 CD1 LEU A 72 -3.113 -5.325 1.928 1.00 0.00 C ATOM 1117 CD2 LEU A 72 -3.446 -5.996 4.352 1.00 0.00 C ATOM 0 H LEU A 72 -6.995 -2.960 2.730 1.00 0.00 H new ATOM 0 HA LEU A 72 -6.757 -5.739 2.909 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -5.086 -3.857 2.318 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -4.741 -3.846 4.036 1.00 0.00 H new ATOM 0 HG LEU A 72 -4.696 -6.508 2.711 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -2.431 -6.168 1.814 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -3.638 -5.154 0.988 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -2.546 -4.433 2.195 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -2.758 -6.826 4.191 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -2.893 -5.133 4.725 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -4.200 -6.287 5.083 1.00 0.00 H new ATOM 1129 N LEU A 73 -7.391 -4.306 5.707 1.00 0.00 N ATOM 1130 CA LEU A 73 -7.689 -4.535 7.111 1.00 0.00 C ATOM 1131 C LEU A 73 -8.918 -5.438 7.225 1.00 0.00 C ATOM 1132 O LEU A 73 -8.910 -6.411 7.978 1.00 0.00 O ATOM 1133 CB LEU A 73 -7.832 -3.204 7.852 1.00 0.00 C ATOM 1134 CG LEU A 73 -6.550 -2.385 8.015 1.00 0.00 C ATOM 1135 CD1 LEU A 73 -6.865 -0.957 8.464 1.00 0.00 C ATOM 1136 CD2 LEU A 73 -5.572 -3.081 8.962 1.00 0.00 C ATOM 0 H LEU A 73 -7.668 -3.389 5.356 1.00 0.00 H new ATOM 0 HA LEU A 73 -6.864 -5.056 7.596 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -8.564 -2.594 7.324 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -8.240 -3.405 8.843 1.00 0.00 H new ATOM 0 HG LEU A 73 -6.063 -2.316 7.043 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -5.936 -0.396 8.572 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -7.497 -0.472 7.719 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -7.387 -0.983 9.421 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -4.669 -2.478 9.060 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -6.036 -3.201 9.941 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -5.312 -4.061 8.561 1.00 0.00 H new ATOM 1148 N HIS A 74 -9.946 -5.084 6.468 1.00 0.00 N ATOM 1149 CA HIS A 74 -11.180 -5.851 6.475 1.00 0.00 C ATOM 1150 C HIS A 74 -11.004 -7.115 5.631 1.00 0.00 C ATOM 1151 O HIS A 74 -11.919 -7.931 5.531 1.00 0.00 O ATOM 1152 CB HIS A 74 -12.358 -4.990 6.014 1.00 0.00 C ATOM 1153 CG HIS A 74 -13.078 -4.282 7.137 1.00 0.00 C ATOM 1154 ND1 HIS A 74 -14.152 -3.436 6.922 1.00 0.00 N ATOM 1155 CD2 HIS A 74 -12.867 -4.303 8.484 1.00 0.00 C ATOM 1156 CE1 HIS A 74 -14.561 -2.974 8.095 1.00 0.00 C ATOM 1157 NE2 HIS A 74 -13.762 -3.512 9.061 1.00 0.00 N ATOM 0 H HIS A 74 -9.950 -4.276 5.846 1.00 0.00 H new ATOM 0 HA HIS A 74 -11.411 -6.165 7.493 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -11.996 -4.247 5.303 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -13.069 -5.621 5.481 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -12.101 -4.868 8.995 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -15.382 -2.292 8.257 1.00 0.00 H new ATOM 0 HE2 HIS A 74 -13.840 -3.335 10.063 1.00 0.00 H new ATOM 1165 N HIS A 75 -9.821 -7.238 5.047 1.00 0.00 N ATOM 1166 CA HIS A 75 -9.514 -8.389 4.215 1.00 0.00 C ATOM 1167 C HIS A 75 -9.984 -8.127 2.783 1.00 0.00 C ATOM 1168 O HIS A 75 -9.787 -8.960 1.899 1.00 0.00 O ATOM 1169 CB HIS A 75 -10.110 -9.665 4.811 1.00 0.00 C ATOM 1170 CG HIS A 75 -10.060 -9.720 6.320 1.00 0.00 C ATOM 1171 ND1 HIS A 75 -11.117 -10.175 7.088 1.00 0.00 N ATOM 1172 CD2 HIS A 75 -9.071 -9.373 7.192 1.00 0.00 C ATOM 1173 CE1 HIS A 75 -10.769 -10.100 8.365 1.00 0.00 C ATOM 1174 NE2 HIS A 75 -9.501 -9.602 8.427 1.00 0.00 N ATOM 0 H HIS A 75 -9.064 -6.560 5.133 1.00 0.00 H new ATOM 0 HA HIS A 75 -8.435 -8.542 4.184 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -11.147 -9.754 4.489 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -9.576 -10.526 4.408 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -8.102 -8.979 6.924 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -11.382 -10.383 9.208 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -8.970 -9.433 9.282 1.00 0.00 H new ATOM 1182 N GLN A 76 -10.597 -6.967 2.598 1.00 0.00 N ATOM 1183 CA GLN A 76 -11.097 -6.586 1.288 1.00 0.00 C ATOM 1184 C GLN A 76 -9.935 -6.394 0.311 1.00 0.00 C ATOM 1185 O GLN A 76 -9.603 -5.266 -0.050 1.00 0.00 O ATOM 1186 CB GLN A 76 -11.954 -5.322 1.375 1.00 0.00 C ATOM 1187 CG GLN A 76 -13.320 -5.628 1.993 1.00 0.00 C ATOM 1188 CD GLN A 76 -14.329 -6.036 0.918 1.00 0.00 C ATOM 1189 OE1 GLN A 76 -14.004 -6.194 -0.247 1.00 0.00 O ATOM 1190 NE2 GLN A 76 -15.569 -6.199 1.373 1.00 0.00 N ATOM 0 H GLN A 76 -10.759 -6.279 3.333 1.00 0.00 H new ATOM 0 HA GLN A 76 -11.731 -7.390 0.915 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -11.440 -4.570 1.974 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -12.088 -4.900 0.379 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -13.220 -6.429 2.726 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -13.686 -4.751 2.527 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -15.773 -6.051 2.361 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -16.315 -6.472 0.733 1.00 0.00 H new ATOM 1199 N TRP A 77 -9.348 -7.512 -0.088 1.00 0.00 N ATOM 1200 CA TRP A 77 -8.230 -7.481 -1.015 1.00 0.00 C ATOM 1201 C TRP A 77 -8.753 -7.004 -2.371 1.00 0.00 C ATOM 1202 O TRP A 77 -8.069 -6.269 -3.082 1.00 0.00 O ATOM 1203 CB TRP A 77 -7.538 -8.844 -1.087 1.00 0.00 C ATOM 1204 CG TRP A 77 -7.748 -9.714 0.154 1.00 0.00 C ATOM 1205 CD1 TRP A 77 -8.641 -10.698 0.331 1.00 0.00 C ATOM 1206 CD2 TRP A 77 -7.009 -9.639 1.391 1.00 0.00 C ATOM 1207 NE1 TRP A 77 -8.532 -11.259 1.587 1.00 0.00 N ATOM 1208 CE2 TRP A 77 -7.508 -10.595 2.252 1.00 0.00 C ATOM 1209 CE3 TRP A 77 -5.954 -8.791 1.771 1.00 0.00 C ATOM 1210 CZ2 TRP A 77 -7.015 -10.793 3.547 1.00 0.00 C ATOM 1211 CZ3 TRP A 77 -5.472 -9.002 3.068 1.00 0.00 C ATOM 1212 CH2 TRP A 77 -5.964 -9.960 3.947 1.00 0.00 C ATOM 0 H TRP A 77 -9.626 -8.446 0.214 1.00 0.00 H new ATOM 0 HA TRP A 77 -7.465 -6.784 -0.672 1.00 0.00 H new ATOM 0 HB2 TRP A 77 -7.906 -9.381 -1.961 1.00 0.00 H new ATOM 0 HB3 TRP A 77 -6.469 -8.690 -1.234 1.00 0.00 H new ATOM 0 HD1 TRP A 77 -9.356 -11.012 -0.415 1.00 0.00 H new ATOM 0 HE1 TRP A 77 -9.099 -12.021 1.959 1.00 0.00 H new ATOM 0 HE3 TRP A 77 -5.548 -8.036 1.114 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 -7.424 -11.548 4.202 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 -4.661 -8.376 3.410 1.00 0.00 H new ATOM 0 HH2 TRP A 77 -5.537 -10.061 4.934 1.00 0.00 H new ATOM 1223 N ASP A 78 -9.963 -7.442 -2.690 1.00 0.00 N ATOM 1224 CA ASP A 78 -10.586 -7.070 -3.948 1.00 0.00 C ATOM 1225 C ASP A 78 -10.643 -5.544 -4.052 1.00 0.00 C ATOM 1226 O ASP A 78 -10.557 -4.989 -5.147 1.00 0.00 O ATOM 1227 CB ASP A 78 -12.018 -7.603 -4.033 1.00 0.00 C ATOM 1228 CG ASP A 78 -12.561 -7.774 -5.453 1.00 0.00 C ATOM 1229 OD1 ASP A 78 -12.749 -6.733 -6.118 1.00 0.00 O ATOM 1230 OD2 ASP A 78 -12.776 -8.943 -5.841 1.00 0.00 O ATOM 0 H ASP A 78 -10.528 -8.051 -2.098 1.00 0.00 H new ATOM 0 HA ASP A 78 -9.994 -7.498 -4.757 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -12.062 -8.566 -3.525 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -12.675 -6.925 -3.488 1.00 0.00 H new ATOM 1235 N ALA A 79 -10.788 -4.909 -2.898 1.00 0.00 N ATOM 1236 CA ALA A 79 -10.857 -3.459 -2.846 1.00 0.00 C ATOM 1237 C ALA A 79 -9.442 -2.882 -2.915 1.00 0.00 C ATOM 1238 O ALA A 79 -9.173 -1.979 -3.706 1.00 0.00 O ATOM 1239 CB ALA A 79 -11.601 -3.029 -1.580 1.00 0.00 C ATOM 0 H ALA A 79 -10.860 -5.372 -1.992 1.00 0.00 H new ATOM 0 HA ALA A 79 -11.413 -3.070 -3.699 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -11.653 -1.941 -1.540 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -12.610 -3.440 -1.594 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -11.070 -3.399 -0.703 1.00 0.00 H new ATOM 1245 N ALA A 80 -8.573 -3.427 -2.075 1.00 0.00 N ATOM 1246 CA ALA A 80 -7.192 -2.978 -2.031 1.00 0.00 C ATOM 1247 C ALA A 80 -6.680 -2.778 -3.458 1.00 0.00 C ATOM 1248 O ALA A 80 -6.104 -1.738 -3.775 1.00 0.00 O ATOM 1249 CB ALA A 80 -6.352 -3.987 -1.246 1.00 0.00 C ATOM 0 H ALA A 80 -8.799 -4.175 -1.420 1.00 0.00 H new ATOM 0 HA ALA A 80 -7.116 -2.020 -1.516 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -5.316 -3.650 -1.213 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -6.739 -4.071 -0.230 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -6.402 -4.960 -1.735 1.00 0.00 H new ATOM 1255 N ASP A 81 -6.907 -3.790 -4.282 1.00 0.00 N ATOM 1256 CA ASP A 81 -6.475 -3.739 -5.669 1.00 0.00 C ATOM 1257 C ASP A 81 -7.238 -2.629 -6.395 1.00 0.00 C ATOM 1258 O ASP A 81 -6.655 -1.878 -7.176 1.00 0.00 O ATOM 1259 CB ASP A 81 -6.765 -5.059 -6.385 1.00 0.00 C ATOM 1260 CG ASP A 81 -5.721 -5.474 -7.424 1.00 0.00 C ATOM 1261 OD1 ASP A 81 -5.109 -4.556 -8.011 1.00 0.00 O ATOM 1262 OD2 ASP A 81 -5.559 -6.699 -7.608 1.00 0.00 O ATOM 0 H ASP A 81 -7.385 -4.651 -4.016 1.00 0.00 H new ATOM 0 HA ASP A 81 -5.401 -3.551 -5.682 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -6.847 -5.849 -5.639 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -7.735 -4.983 -6.877 1.00 0.00 H new ATOM 1267 N ASP A 82 -8.531 -2.560 -6.112 1.00 0.00 N ATOM 1268 CA ASP A 82 -9.380 -1.555 -6.728 1.00 0.00 C ATOM 1269 C ASP A 82 -8.717 -0.182 -6.594 1.00 0.00 C ATOM 1270 O ASP A 82 -8.456 0.485 -7.593 1.00 0.00 O ATOM 1271 CB ASP A 82 -10.745 -1.490 -6.041 1.00 0.00 C ATOM 1272 CG ASP A 82 -11.927 -1.227 -6.975 1.00 0.00 C ATOM 1273 OD1 ASP A 82 -12.232 -2.138 -7.775 1.00 0.00 O ATOM 1274 OD2 ASP A 82 -12.500 -0.121 -6.869 1.00 0.00 O ATOM 0 H ASP A 82 -9.011 -3.184 -5.464 1.00 0.00 H new ATOM 0 HA ASP A 82 -9.516 -1.825 -7.775 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -10.917 -2.431 -5.518 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -10.717 -0.705 -5.285 1.00 0.00 H new ATOM 1279 N ILE A 83 -8.464 0.198 -5.350 1.00 0.00 N ATOM 1280 CA ILE A 83 -7.837 1.479 -5.072 1.00 0.00 C ATOM 1281 C ILE A 83 -6.433 1.496 -5.678 1.00 0.00 C ATOM 1282 O ILE A 83 -6.070 2.433 -6.388 1.00 0.00 O ATOM 1283 CB ILE A 83 -7.863 1.774 -3.571 1.00 0.00 C ATOM 1284 CG1 ILE A 83 -9.300 1.821 -3.046 1.00 0.00 C ATOM 1285 CG2 ILE A 83 -7.094 3.057 -3.251 1.00 0.00 C ATOM 1286 CD1 ILE A 83 -9.458 0.944 -1.803 1.00 0.00 C ATOM 0 H ILE A 83 -8.682 -0.359 -4.524 1.00 0.00 H new ATOM 0 HA ILE A 83 -8.397 2.288 -5.542 1.00 0.00 H new ATOM 0 HB ILE A 83 -7.358 0.958 -3.054 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -9.570 2.850 -2.807 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -9.986 1.484 -3.823 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -7.128 3.244 -2.178 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -6.057 2.948 -3.568 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -7.548 3.895 -3.779 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -10.488 0.995 -1.450 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -9.211 -0.088 -2.052 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -8.788 1.299 -1.020 1.00 0.00 H new ATOM 1298 N HIS A 84 -5.679 0.449 -5.375 1.00 0.00 N ATOM 1299 CA HIS A 84 -4.322 0.332 -5.881 1.00 0.00 C ATOM 1300 C HIS A 84 -4.295 0.696 -7.367 1.00 0.00 C ATOM 1301 O HIS A 84 -3.481 1.511 -7.796 1.00 0.00 O ATOM 1302 CB HIS A 84 -3.756 -1.061 -5.601 1.00 0.00 C ATOM 1303 CG HIS A 84 -2.946 -1.635 -6.739 1.00 0.00 C ATOM 1304 ND1 HIS A 84 -3.038 -2.959 -7.131 1.00 0.00 N ATOM 1305 CD2 HIS A 84 -2.031 -1.052 -7.565 1.00 0.00 C ATOM 1306 CE1 HIS A 84 -2.211 -3.153 -8.147 1.00 0.00 C ATOM 1307 NE2 HIS A 84 -1.587 -1.970 -8.415 1.00 0.00 N ATOM 0 H HIS A 84 -5.982 -0.326 -4.785 1.00 0.00 H new ATOM 0 HA HIS A 84 -3.673 1.035 -5.359 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -3.130 -1.015 -4.710 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -4.580 -1.739 -5.377 1.00 0.00 H new ATOM 0 HD1 HIS A 84 -3.641 -3.666 -6.709 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -1.720 -0.018 -7.533 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -2.058 -4.085 -8.671 1.00 0.00 H new ATOM 1315 N ARG A 85 -5.196 0.072 -8.112 1.00 0.00 N ATOM 1316 CA ARG A 85 -5.286 0.319 -9.541 1.00 0.00 C ATOM 1317 C ARG A 85 -5.470 1.814 -9.811 1.00 0.00 C ATOM 1318 O ARG A 85 -4.611 2.449 -10.420 1.00 0.00 O ATOM 1319 CB ARG A 85 -6.454 -0.451 -10.161 1.00 0.00 C ATOM 1320 CG ARG A 85 -6.118 -1.937 -10.299 1.00 0.00 C ATOM 1321 CD ARG A 85 -5.396 -2.216 -11.619 1.00 0.00 C ATOM 1322 NE ARG A 85 -4.915 -3.616 -11.647 1.00 0.00 N ATOM 1323 CZ ARG A 85 -4.337 -4.190 -12.710 1.00 0.00 C ATOM 1324 NH1 ARG A 85 -4.165 -3.490 -13.839 1.00 0.00 N ATOM 1325 NH2 ARG A 85 -3.932 -5.466 -12.645 1.00 0.00 N ATOM 0 H ARG A 85 -5.870 -0.604 -7.753 1.00 0.00 H new ATOM 0 HA ARG A 85 -4.357 -0.025 -9.996 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -7.343 -0.331 -9.542 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -6.690 -0.035 -11.141 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -5.491 -2.251 -9.464 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -7.033 -2.527 -10.249 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -6.070 -2.038 -12.457 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -4.556 -1.532 -11.735 1.00 0.00 H new ATOM 0 HE ARG A 85 -5.031 -4.178 -10.804 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -4.474 -2.519 -13.889 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -3.725 -3.928 -14.648 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -4.064 -6.000 -11.786 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -3.492 -5.903 -13.455 1.00 0.00 H new ATOM 1339 N SER A 86 -6.596 2.333 -9.344 1.00 0.00 N ATOM 1340 CA SER A 86 -6.904 3.741 -9.527 1.00 0.00 C ATOM 1341 C SER A 86 -5.684 4.594 -9.173 1.00 0.00 C ATOM 1342 O SER A 86 -5.427 5.612 -9.813 1.00 0.00 O ATOM 1343 CB SER A 86 -8.106 4.157 -8.677 1.00 0.00 C ATOM 1344 OG SER A 86 -9.341 3.934 -9.353 1.00 0.00 O ATOM 0 H SER A 86 -7.306 1.803 -8.839 1.00 0.00 H new ATOM 0 HA SER A 86 -7.160 3.901 -10.574 1.00 0.00 H new ATOM 0 HB2 SER A 86 -8.099 3.598 -7.741 1.00 0.00 H new ATOM 0 HB3 SER A 86 -8.020 5.212 -8.419 1.00 0.00 H new ATOM 0 HG SER A 86 -10.084 4.211 -8.777 1.00 0.00 H new ATOM 1350 N LEU A 87 -4.964 4.146 -8.155 1.00 0.00 N ATOM 1351 CA LEU A 87 -3.777 4.855 -7.708 1.00 0.00 C ATOM 1352 C LEU A 87 -2.661 4.671 -8.739 1.00 0.00 C ATOM 1353 O LEU A 87 -1.871 5.585 -8.974 1.00 0.00 O ATOM 1354 CB LEU A 87 -3.388 4.413 -6.296 1.00 0.00 C ATOM 1355 CG LEU A 87 -3.689 5.411 -5.175 1.00 0.00 C ATOM 1356 CD1 LEU A 87 -3.450 4.780 -3.802 1.00 0.00 C ATOM 1357 CD2 LEU A 87 -2.889 6.701 -5.360 1.00 0.00 C ATOM 0 H LEU A 87 -5.180 3.301 -7.627 1.00 0.00 H new ATOM 0 HA LEU A 87 -3.976 5.924 -7.638 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -3.905 3.480 -6.073 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -2.320 4.196 -6.286 1.00 0.00 H new ATOM 0 HG LEU A 87 -4.745 5.677 -5.228 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -3.671 5.510 -3.023 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -4.100 3.913 -3.682 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -2.409 4.467 -3.722 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -3.122 7.393 -4.550 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -1.823 6.473 -5.348 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -3.151 7.158 -6.314 1.00 0.00 H new ATOM 1369 N MET A 88 -2.631 3.484 -9.326 1.00 0.00 N ATOM 1370 CA MET A 88 -1.624 3.169 -10.326 1.00 0.00 C ATOM 1371 C MET A 88 -2.016 3.731 -11.694 1.00 0.00 C ATOM 1372 O MET A 88 -1.215 3.716 -12.627 1.00 0.00 O ATOM 1373 CB MET A 88 -1.461 1.651 -10.425 1.00 0.00 C ATOM 1374 CG MET A 88 -0.839 1.253 -11.765 1.00 0.00 C ATOM 1375 SD MET A 88 -0.102 -0.368 -11.639 1.00 0.00 S ATOM 1376 CE MET A 88 1.497 0.069 -10.977 1.00 0.00 C ATOM 0 H MET A 88 -3.287 2.729 -9.129 1.00 0.00 H new ATOM 0 HA MET A 88 -0.682 3.626 -10.023 1.00 0.00 H new ATOM 0 HB2 MET A 88 -0.833 1.295 -9.608 1.00 0.00 H new ATOM 0 HB3 MET A 88 -2.432 1.169 -10.313 1.00 0.00 H new ATOM 0 HG2 MET A 88 -1.601 1.255 -12.544 1.00 0.00 H new ATOM 0 HG3 MET A 88 -0.084 1.983 -12.056 1.00 0.00 H new ATOM 0 HE1 MET A 88 2.091 -0.834 -10.836 1.00 0.00 H new ATOM 0 HE2 MET A 88 2.009 0.735 -11.672 1.00 0.00 H new ATOM 0 HE3 MET A 88 1.369 0.573 -10.019 1.00 0.00 H new ATOM 1386 N VAL A 89 -3.247 4.214 -11.769 1.00 0.00 N ATOM 1387 CA VAL A 89 -3.754 4.781 -13.008 1.00 0.00 C ATOM 1388 C VAL A 89 -3.167 6.180 -13.202 1.00 0.00 C ATOM 1389 O VAL A 89 -2.585 6.473 -14.245 1.00 0.00 O ATOM 1390 CB VAL A 89 -5.284 4.771 -12.999 1.00 0.00 C ATOM 1391 CG1 VAL A 89 -5.844 5.584 -14.168 1.00 0.00 C ATOM 1392 CG2 VAL A 89 -5.823 3.339 -13.019 1.00 0.00 C ATOM 0 H VAL A 89 -3.908 4.225 -10.993 1.00 0.00 H new ATOM 0 HA VAL A 89 -3.442 4.177 -13.860 1.00 0.00 H new ATOM 0 HB VAL A 89 -5.617 5.241 -12.074 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -6.933 5.561 -14.139 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -5.501 6.616 -14.091 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -5.497 5.155 -15.108 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -6.913 3.360 -13.012 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -5.476 2.832 -13.919 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -5.465 2.803 -12.140 1.00 0.00 H new ATOM 1402 N ASP A 90 -3.339 7.006 -12.181 1.00 0.00 N ATOM 1403 CA ASP A 90 -2.833 8.368 -12.226 1.00 0.00 C ATOM 1404 C ASP A 90 -1.462 8.420 -11.549 1.00 0.00 C ATOM 1405 O ASP A 90 -0.448 8.638 -12.210 1.00 0.00 O ATOM 1406 CB ASP A 90 -3.765 9.326 -11.482 1.00 0.00 C ATOM 1407 CG ASP A 90 -5.060 9.672 -12.219 1.00 0.00 C ATOM 1408 OD1 ASP A 90 -4.976 9.874 -13.450 1.00 0.00 O ATOM 1409 OD2 ASP A 90 -6.105 9.726 -11.535 1.00 0.00 O ATOM 0 H ASP A 90 -3.822 6.759 -11.317 1.00 0.00 H new ATOM 0 HA ASP A 90 -2.766 8.669 -13.271 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -4.020 8.885 -10.518 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -3.224 10.250 -11.277 1.00 0.00 H new ATOM 1414 N HIS A 91 -1.476 8.217 -10.240 1.00 0.00 N ATOM 1415 CA HIS A 91 -0.246 8.239 -9.466 1.00 0.00 C ATOM 1416 C HIS A 91 0.532 6.943 -9.703 1.00 0.00 C ATOM 1417 O HIS A 91 0.758 6.171 -8.772 1.00 0.00 O ATOM 1418 CB HIS A 91 -0.539 8.493 -7.986 1.00 0.00 C ATOM 1419 CG HIS A 91 -1.550 9.586 -7.739 1.00 0.00 C ATOM 1420 ND1 HIS A 91 -1.205 10.925 -7.673 1.00 0.00 N ATOM 1421 CD2 HIS A 91 -2.899 9.526 -7.544 1.00 0.00 C ATOM 1422 CE1 HIS A 91 -2.305 11.630 -7.447 1.00 0.00 C ATOM 1423 NE2 HIS A 91 -3.353 10.761 -7.367 1.00 0.00 N ATOM 0 H HIS A 91 -2.319 8.036 -9.696 1.00 0.00 H new ATOM 0 HA HIS A 91 0.382 9.065 -9.798 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -0.900 7.569 -7.534 1.00 0.00 H new ATOM 0 HB3 HIS A 91 0.392 8.752 -7.481 1.00 0.00 H new ATOM 0 HD1 HIS A 91 -0.264 11.305 -7.780 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -3.496 8.626 -7.535 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -2.361 12.704 -7.344 1.00 0.00 H new ATOM 1431 N VAL A 92 0.921 6.744 -10.954 1.00 0.00 N ATOM 1432 CA VAL A 92 1.669 5.555 -11.325 1.00 0.00 C ATOM 1433 C VAL A 92 3.165 5.820 -11.141 1.00 0.00 C ATOM 1434 O VAL A 92 3.942 4.891 -10.927 1.00 0.00 O ATOM 1435 CB VAL A 92 1.308 5.133 -12.751 1.00 0.00 C ATOM 1436 CG1 VAL A 92 2.077 5.963 -13.780 1.00 0.00 C ATOM 1437 CG2 VAL A 92 1.553 3.637 -12.958 1.00 0.00 C ATOM 0 H VAL A 92 0.732 7.386 -11.723 1.00 0.00 H new ATOM 0 HA VAL A 92 1.404 4.720 -10.676 1.00 0.00 H new ATOM 0 HB VAL A 92 0.244 5.322 -12.897 1.00 0.00 H new ATOM 0 HG11 VAL A 92 1.802 5.643 -14.785 1.00 0.00 H new ATOM 0 HG12 VAL A 92 1.830 7.017 -13.655 1.00 0.00 H new ATOM 0 HG13 VAL A 92 3.148 5.821 -13.635 1.00 0.00 H new ATOM 0 HG21 VAL A 92 1.289 3.363 -13.979 1.00 0.00 H new ATOM 0 HG22 VAL A 92 2.605 3.413 -12.783 1.00 0.00 H new ATOM 0 HG23 VAL A 92 0.940 3.068 -12.259 1.00 0.00 H new ATOM 1447 N THR A 93 3.523 7.093 -11.232 1.00 0.00 N ATOM 1448 CA THR A 93 4.911 7.492 -11.078 1.00 0.00 C ATOM 1449 C THR A 93 5.239 7.726 -9.602 1.00 0.00 C ATOM 1450 O THR A 93 6.402 7.898 -9.241 1.00 0.00 O ATOM 1451 CB THR A 93 5.149 8.723 -11.956 1.00 0.00 C ATOM 1452 OG1 THR A 93 5.471 8.181 -13.234 1.00 0.00 O ATOM 1453 CG2 THR A 93 6.406 9.496 -11.552 1.00 0.00 C ATOM 0 H THR A 93 2.876 7.861 -11.410 1.00 0.00 H new ATOM 0 HA THR A 93 5.588 6.704 -11.407 1.00 0.00 H new ATOM 0 HB THR A 93 4.283 9.382 -11.899 1.00 0.00 H new ATOM 0 HG1 THR A 93 5.639 8.911 -13.866 1.00 0.00 H new ATOM 0 HG21 THR A 93 6.528 10.359 -12.206 1.00 0.00 H new ATOM 0 HG22 THR A 93 6.310 9.834 -10.520 1.00 0.00 H new ATOM 0 HG23 THR A 93 7.277 8.847 -11.642 1.00 0.00 H new ATOM 1461 N GLU A 94 4.192 7.725 -8.790 1.00 0.00 N ATOM 1462 CA GLU A 94 4.354 7.934 -7.361 1.00 0.00 C ATOM 1463 C GLU A 94 4.373 6.593 -6.626 1.00 0.00 C ATOM 1464 O GLU A 94 5.367 6.243 -5.991 1.00 0.00 O ATOM 1465 CB GLU A 94 3.253 8.844 -6.812 1.00 0.00 C ATOM 1466 CG GLU A 94 3.742 10.290 -6.699 1.00 0.00 C ATOM 1467 CD GLU A 94 2.644 11.198 -6.144 1.00 0.00 C ATOM 1468 OE1 GLU A 94 1.875 11.731 -6.974 1.00 0.00 O ATOM 1469 OE2 GLU A 94 2.597 11.340 -4.903 1.00 0.00 O ATOM 0 H GLU A 94 3.229 7.583 -9.094 1.00 0.00 H new ATOM 0 HA GLU A 94 5.309 8.431 -7.193 1.00 0.00 H new ATOM 0 HB2 GLU A 94 2.381 8.801 -7.465 1.00 0.00 H new ATOM 0 HB3 GLU A 94 2.935 8.486 -5.833 1.00 0.00 H new ATOM 0 HG2 GLU A 94 4.616 10.332 -6.050 1.00 0.00 H new ATOM 0 HG3 GLU A 94 4.055 10.649 -7.679 1.00 0.00 H new ATOM 1476 N VAL A 95 3.263 5.878 -6.737 1.00 0.00 N ATOM 1477 CA VAL A 95 3.140 4.582 -6.091 1.00 0.00 C ATOM 1478 C VAL A 95 4.286 3.677 -6.550 1.00 0.00 C ATOM 1479 O VAL A 95 4.893 2.979 -5.739 1.00 0.00 O ATOM 1480 CB VAL A 95 1.759 3.987 -6.371 1.00 0.00 C ATOM 1481 CG1 VAL A 95 0.651 4.978 -6.010 1.00 0.00 C ATOM 1482 CG2 VAL A 95 1.641 3.540 -7.830 1.00 0.00 C ATOM 0 H VAL A 95 2.441 6.171 -7.265 1.00 0.00 H new ATOM 0 HA VAL A 95 3.221 4.685 -5.009 1.00 0.00 H new ATOM 0 HB VAL A 95 1.639 3.107 -5.740 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -0.320 4.530 -6.219 1.00 0.00 H new ATOM 0 HG12 VAL A 95 0.716 5.226 -4.951 1.00 0.00 H new ATOM 0 HG13 VAL A 95 0.767 5.885 -6.603 1.00 0.00 H new ATOM 0 HG21 VAL A 95 0.650 3.121 -8.003 1.00 0.00 H new ATOM 0 HG22 VAL A 95 1.792 4.397 -8.486 1.00 0.00 H new ATOM 0 HG23 VAL A 95 2.397 2.784 -8.041 1.00 0.00 H new ATOM 1492 N SER A 96 4.546 3.718 -7.848 1.00 0.00 N ATOM 1493 CA SER A 96 5.608 2.911 -8.425 1.00 0.00 C ATOM 1494 C SER A 96 6.872 3.022 -7.571 1.00 0.00 C ATOM 1495 O SER A 96 7.015 3.958 -6.786 1.00 0.00 O ATOM 1496 CB SER A 96 5.902 3.334 -9.865 1.00 0.00 C ATOM 1497 OG SER A 96 6.133 4.736 -9.973 1.00 0.00 O ATOM 0 H SER A 96 4.039 4.298 -8.517 1.00 0.00 H new ATOM 0 HA SER A 96 5.277 1.872 -8.441 1.00 0.00 H new ATOM 0 HB2 SER A 96 6.775 2.794 -10.231 1.00 0.00 H new ATOM 0 HB3 SER A 96 5.064 3.054 -10.503 1.00 0.00 H new ATOM 0 HG SER A 96 5.276 5.210 -9.964 1.00 0.00 H new ATOM 1503 N GLN A 97 7.758 2.054 -7.752 1.00 0.00 N ATOM 1504 CA GLN A 97 9.005 2.031 -7.008 1.00 0.00 C ATOM 1505 C GLN A 97 8.809 1.327 -5.664 1.00 0.00 C ATOM 1506 O GLN A 97 9.746 1.216 -4.874 1.00 0.00 O ATOM 1507 CB GLN A 97 9.552 3.446 -6.812 1.00 0.00 C ATOM 1508 CG GLN A 97 11.075 3.472 -6.964 1.00 0.00 C ATOM 1509 CD GLN A 97 11.632 4.866 -6.668 1.00 0.00 C ATOM 1510 OE1 GLN A 97 11.150 5.586 -5.809 1.00 0.00 O ATOM 1511 NE2 GLN A 97 12.672 5.204 -7.424 1.00 0.00 N ATOM 0 H GLN A 97 7.636 1.279 -8.404 1.00 0.00 H new ATOM 0 HA GLN A 97 9.740 1.470 -7.585 1.00 0.00 H new ATOM 0 HB2 GLN A 97 9.099 4.119 -7.540 1.00 0.00 H new ATOM 0 HB3 GLN A 97 9.275 3.813 -5.824 1.00 0.00 H new ATOM 0 HG2 GLN A 97 11.524 2.746 -6.287 1.00 0.00 H new ATOM 0 HG3 GLN A 97 11.348 3.175 -7.977 1.00 0.00 H new ATOM 0 HE21 GLN A 97 13.026 4.553 -8.125 1.00 0.00 H new ATOM 0 HE22 GLN A 97 13.116 6.114 -7.303 1.00 0.00 H new ATOM 1520 N TRP A 98 7.585 0.871 -5.444 1.00 0.00 N ATOM 1521 CA TRP A 98 7.253 0.181 -4.209 1.00 0.00 C ATOM 1522 C TRP A 98 5.903 -0.511 -4.402 1.00 0.00 C ATOM 1523 O TRP A 98 5.731 -1.665 -4.010 1.00 0.00 O ATOM 1524 CB TRP A 98 7.267 1.146 -3.022 1.00 0.00 C ATOM 1525 CG TRP A 98 6.301 2.324 -3.166 1.00 0.00 C ATOM 1526 CD1 TRP A 98 6.542 3.527 -3.704 1.00 0.00 C ATOM 1527 CD2 TRP A 98 4.921 2.362 -2.744 1.00 0.00 C ATOM 1528 NE1 TRP A 98 5.424 4.335 -3.658 1.00 0.00 N ATOM 1529 CE2 TRP A 98 4.407 3.603 -3.056 1.00 0.00 C ATOM 1530 CE3 TRP A 98 4.134 1.379 -2.118 1.00 0.00 C ATOM 1531 CZ2 TRP A 98 3.087 3.978 -2.780 1.00 0.00 C ATOM 1532 CZ3 TRP A 98 2.817 1.769 -1.849 1.00 0.00 C ATOM 1533 CH2 TRP A 98 2.284 3.015 -2.157 1.00 0.00 C ATOM 0 H TRP A 98 6.810 0.966 -6.101 1.00 0.00 H new ATOM 0 HA TRP A 98 8.001 -0.577 -3.977 1.00 0.00 H new ATOM 0 HB2 TRP A 98 7.018 0.594 -2.115 1.00 0.00 H new ATOM 0 HB3 TRP A 98 8.278 1.532 -2.893 1.00 0.00 H new ATOM 0 HD1 TRP A 98 7.492 3.827 -4.121 1.00 0.00 H new ATOM 0 HE1 TRP A 98 5.356 5.293 -4.002 1.00 0.00 H new ATOM 0 HE3 TRP A 98 4.516 0.401 -1.865 1.00 0.00 H new ATOM 0 HZ2 TRP A 98 2.708 4.957 -3.034 1.00 0.00 H new ATOM 0 HZ3 TRP A 98 2.169 1.051 -1.368 1.00 0.00 H new ATOM 0 HH2 TRP A 98 1.255 3.239 -1.917 1.00 0.00 H new ATOM 1544 N MET A 99 4.979 0.222 -5.005 1.00 0.00 N ATOM 1545 CA MET A 99 3.649 -0.307 -5.255 1.00 0.00 C ATOM 1546 C MET A 99 3.704 -1.803 -5.572 1.00 0.00 C ATOM 1547 O MET A 99 2.884 -2.576 -5.080 1.00 0.00 O ATOM 1548 CB MET A 99 3.013 0.441 -6.429 1.00 0.00 C ATOM 1549 CG MET A 99 1.655 -0.162 -6.792 1.00 0.00 C ATOM 1550 SD MET A 99 0.342 0.920 -6.252 1.00 0.00 S ATOM 1551 CE MET A 99 0.610 0.875 -4.487 1.00 0.00 C ATOM 0 H MET A 99 5.125 1.178 -5.328 1.00 0.00 H new ATOM 0 HA MET A 99 3.049 -0.167 -4.356 1.00 0.00 H new ATOM 0 HB2 MET A 99 2.891 1.493 -6.171 1.00 0.00 H new ATOM 0 HB3 MET A 99 3.676 0.400 -7.293 1.00 0.00 H new ATOM 0 HG2 MET A 99 1.592 -0.314 -7.869 1.00 0.00 H new ATOM 0 HG3 MET A 99 1.546 -1.141 -6.325 1.00 0.00 H new ATOM 0 HE1 MET A 99 -0.252 1.305 -3.977 1.00 0.00 H new ATOM 0 HE2 MET A 99 0.744 -0.158 -4.166 1.00 0.00 H new ATOM 0 HE3 MET A 99 1.502 1.450 -4.240 1.00 0.00 H new ATOM 1561 N VAL A 100 4.680 -2.166 -6.392 1.00 0.00 N ATOM 1562 CA VAL A 100 4.853 -3.555 -6.781 1.00 0.00 C ATOM 1563 C VAL A 100 4.707 -4.447 -5.547 1.00 0.00 C ATOM 1564 O VAL A 100 3.955 -5.421 -5.565 1.00 0.00 O ATOM 1565 CB VAL A 100 6.194 -3.735 -7.494 1.00 0.00 C ATOM 1566 CG1 VAL A 100 6.208 -2.994 -8.832 1.00 0.00 C ATOM 1567 CG2 VAL A 100 7.354 -3.282 -6.605 1.00 0.00 C ATOM 0 H VAL A 100 5.359 -1.522 -6.798 1.00 0.00 H new ATOM 0 HA VAL A 100 4.081 -3.853 -7.490 1.00 0.00 H new ATOM 0 HB VAL A 100 6.324 -4.798 -7.698 1.00 0.00 H new ATOM 0 HG11 VAL A 100 7.173 -3.139 -9.318 1.00 0.00 H new ATOM 0 HG12 VAL A 100 5.417 -3.384 -9.472 1.00 0.00 H new ATOM 0 HG13 VAL A 100 6.044 -1.930 -8.660 1.00 0.00 H new ATOM 0 HG21 VAL A 100 8.295 -3.421 -7.136 1.00 0.00 H new ATOM 0 HG22 VAL A 100 7.231 -2.228 -6.355 1.00 0.00 H new ATOM 0 HG23 VAL A 100 7.363 -3.874 -5.690 1.00 0.00 H new ATOM 1577 N GLY A 101 5.438 -4.084 -4.503 1.00 0.00 N ATOM 1578 CA GLY A 101 5.400 -4.839 -3.263 1.00 0.00 C ATOM 1579 C GLY A 101 3.966 -4.973 -2.746 1.00 0.00 C ATOM 1580 O GLY A 101 3.467 -6.083 -2.571 1.00 0.00 O ATOM 0 H GLY A 101 6.060 -3.276 -4.491 1.00 0.00 H new ATOM 0 HA2 GLY A 101 5.827 -5.829 -3.423 1.00 0.00 H new ATOM 0 HA3 GLY A 101 6.016 -4.344 -2.513 1.00 0.00 H new ATOM 1584 N VAL A 102 3.344 -3.826 -2.517 1.00 0.00 N ATOM 1585 CA VAL A 102 1.977 -3.801 -2.025 1.00 0.00 C ATOM 1586 C VAL A 102 1.121 -4.755 -2.860 1.00 0.00 C ATOM 1587 O VAL A 102 0.447 -5.627 -2.315 1.00 0.00 O ATOM 1588 CB VAL A 102 1.447 -2.365 -2.025 1.00 0.00 C ATOM 1589 CG1 VAL A 102 -0.003 -2.317 -1.540 1.00 0.00 C ATOM 1590 CG2 VAL A 102 2.338 -1.451 -1.182 1.00 0.00 C ATOM 0 H VAL A 102 3.762 -2.907 -2.663 1.00 0.00 H new ATOM 0 HA VAL A 102 1.936 -4.148 -0.993 1.00 0.00 H new ATOM 0 HB VAL A 102 1.470 -1.999 -3.052 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -0.356 -1.286 -1.549 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -0.627 -2.920 -2.199 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -0.060 -2.711 -0.525 1.00 0.00 H new ATOM 0 HG21 VAL A 102 1.939 -0.437 -1.199 1.00 0.00 H new ATOM 0 HG22 VAL A 102 2.363 -1.814 -0.154 1.00 0.00 H new ATOM 0 HG23 VAL A 102 3.348 -1.450 -1.591 1.00 0.00 H new ATOM 1600 N LYS A 103 1.176 -4.556 -4.169 1.00 0.00 N ATOM 1601 CA LYS A 103 0.414 -5.388 -5.084 1.00 0.00 C ATOM 1602 C LYS A 103 0.503 -6.848 -4.635 1.00 0.00 C ATOM 1603 O LYS A 103 -0.513 -7.533 -4.533 1.00 0.00 O ATOM 1604 CB LYS A 103 0.874 -5.159 -6.525 1.00 0.00 C ATOM 1605 CG LYS A 103 0.333 -6.249 -7.453 1.00 0.00 C ATOM 1606 CD LYS A 103 0.282 -5.760 -8.902 1.00 0.00 C ATOM 1607 CE LYS A 103 -0.485 -6.745 -9.787 1.00 0.00 C ATOM 1608 NZ LYS A 103 0.406 -7.837 -10.240 1.00 0.00 N ATOM 0 H LYS A 103 1.736 -3.831 -4.617 1.00 0.00 H new ATOM 0 HA LYS A 103 -0.640 -5.111 -5.062 1.00 0.00 H new ATOM 0 HB2 LYS A 103 0.534 -4.182 -6.868 1.00 0.00 H new ATOM 0 HB3 LYS A 103 1.963 -5.149 -6.566 1.00 0.00 H new ATOM 0 HG2 LYS A 103 0.965 -7.135 -7.386 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -0.665 -6.544 -7.130 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -0.196 -4.781 -8.943 1.00 0.00 H new ATOM 0 HD3 LYS A 103 1.295 -5.636 -9.284 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -1.327 -7.161 -9.234 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -0.898 -6.222 -10.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -0.130 -8.496 -10.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 1.196 -7.437 -10.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 0.779 -8.346 -9.413 1.00 0.00 H new ATOM 1622 N ARG A 104 1.729 -7.281 -4.379 1.00 0.00 N ATOM 1623 CA ARG A 104 1.965 -8.647 -3.943 1.00 0.00 C ATOM 1624 C ARG A 104 1.447 -8.846 -2.517 1.00 0.00 C ATOM 1625 O ARG A 104 0.707 -9.791 -2.248 1.00 0.00 O ATOM 1626 CB ARG A 104 3.455 -8.991 -3.990 1.00 0.00 C ATOM 1627 CG ARG A 104 3.685 -10.474 -3.691 1.00 0.00 C ATOM 1628 CD ARG A 104 3.205 -11.347 -4.852 1.00 0.00 C ATOM 1629 NE ARG A 104 4.261 -11.442 -5.885 1.00 0.00 N ATOM 1630 CZ ARG A 104 4.376 -10.600 -6.921 1.00 0.00 C ATOM 1631 NH1 ARG A 104 3.501 -9.596 -7.069 1.00 0.00 N ATOM 1632 NH2 ARG A 104 5.366 -10.762 -7.809 1.00 0.00 N ATOM 0 H ARG A 104 2.570 -6.710 -4.465 1.00 0.00 H new ATOM 0 HA ARG A 104 1.430 -9.309 -4.623 1.00 0.00 H new ATOM 0 HB2 ARG A 104 3.857 -8.748 -4.974 1.00 0.00 H new ATOM 0 HB3 ARG A 104 3.996 -8.382 -3.265 1.00 0.00 H new ATOM 0 HG2 ARG A 104 4.745 -10.652 -3.511 1.00 0.00 H new ATOM 0 HG3 ARG A 104 3.156 -10.751 -2.779 1.00 0.00 H new ATOM 0 HD2 ARG A 104 2.950 -12.342 -4.488 1.00 0.00 H new ATOM 0 HD3 ARG A 104 2.298 -10.924 -5.285 1.00 0.00 H new ATOM 0 HE ARG A 104 4.944 -12.195 -5.803 1.00 0.00 H new ATOM 0 HH11 ARG A 104 2.747 -9.473 -6.393 1.00 0.00 H new ATOM 0 HH12 ARG A 104 3.589 -8.955 -7.858 1.00 0.00 H new ATOM 0 HH21 ARG A 104 6.032 -11.526 -7.696 1.00 0.00 H new ATOM 0 HH22 ARG A 104 5.454 -10.121 -8.598 1.00 0.00 H new ATOM 1646 N LEU A 105 1.856 -7.940 -1.641 1.00 0.00 N ATOM 1647 CA LEU A 105 1.442 -8.004 -0.250 1.00 0.00 C ATOM 1648 C LEU A 105 -0.035 -8.395 -0.179 1.00 0.00 C ATOM 1649 O LEU A 105 -0.398 -9.339 0.521 1.00 0.00 O ATOM 1650 CB LEU A 105 1.766 -6.691 0.466 1.00 0.00 C ATOM 1651 CG LEU A 105 1.658 -6.715 1.992 1.00 0.00 C ATOM 1652 CD1 LEU A 105 2.992 -6.341 2.642 1.00 0.00 C ATOM 1653 CD2 LEU A 105 0.514 -5.822 2.475 1.00 0.00 C ATOM 0 H LEU A 105 2.470 -7.158 -1.868 1.00 0.00 H new ATOM 0 HA LEU A 105 2.002 -8.775 0.279 1.00 0.00 H new ATOM 0 HB2 LEU A 105 2.780 -6.395 0.198 1.00 0.00 H new ATOM 0 HB3 LEU A 105 1.097 -5.918 0.086 1.00 0.00 H new ATOM 0 HG LEU A 105 1.423 -7.733 2.302 1.00 0.00 H new ATOM 0 HD11 LEU A 105 2.888 -6.366 3.727 1.00 0.00 H new ATOM 0 HD12 LEU A 105 3.759 -7.052 2.335 1.00 0.00 H new ATOM 0 HD13 LEU A 105 3.281 -5.338 2.328 1.00 0.00 H new ATOM 0 HD21 LEU A 105 0.459 -5.857 3.563 1.00 0.00 H new ATOM 0 HD22 LEU A 105 0.693 -4.796 2.154 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -0.427 -6.176 2.053 1.00 0.00 H new ATOM 1665 N ILE A 106 -0.848 -7.649 -0.913 1.00 0.00 N ATOM 1666 CA ILE A 106 -2.278 -7.906 -0.942 1.00 0.00 C ATOM 1667 C ILE A 106 -2.518 -9.406 -1.122 1.00 0.00 C ATOM 1668 O ILE A 106 -2.974 -10.080 -0.200 1.00 0.00 O ATOM 1669 CB ILE A 106 -2.956 -7.042 -2.007 1.00 0.00 C ATOM 1670 CG1 ILE A 106 -2.769 -5.553 -1.707 1.00 0.00 C ATOM 1671 CG2 ILE A 106 -4.432 -7.415 -2.158 1.00 0.00 C ATOM 1672 CD1 ILE A 106 -2.856 -4.720 -2.987 1.00 0.00 C ATOM 0 H ILE A 106 -0.544 -6.867 -1.492 1.00 0.00 H new ATOM 0 HA ILE A 106 -2.736 -7.621 0.005 1.00 0.00 H new ATOM 0 HB ILE A 106 -2.474 -7.240 -2.964 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -3.531 -5.222 -1.001 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -1.802 -5.393 -1.230 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -4.890 -6.786 -2.921 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -4.515 -8.461 -2.453 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -4.944 -7.264 -1.208 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -2.720 -3.666 -2.745 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -2.077 -5.037 -3.681 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -3.833 -4.863 -3.448 1.00 0.00 H new ATOM 1684 N ALA A 107 -2.202 -9.884 -2.317 1.00 0.00 N ATOM 1685 CA ALA A 107 -2.378 -11.292 -2.629 1.00 0.00 C ATOM 1686 C ALA A 107 -1.851 -12.138 -1.469 1.00 0.00 C ATOM 1687 O ALA A 107 -2.541 -13.034 -0.985 1.00 0.00 O ATOM 1688 CB ALA A 107 -1.676 -11.614 -3.951 1.00 0.00 C ATOM 0 H ALA A 107 -1.825 -9.321 -3.080 1.00 0.00 H new ATOM 0 HA ALA A 107 -3.435 -11.527 -2.755 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -1.808 -12.670 -4.185 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -2.107 -11.009 -4.749 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -0.613 -11.392 -3.862 1.00 0.00 H new ATOM 1694 N GLU A 108 -0.632 -11.824 -1.055 1.00 0.00 N ATOM 1695 CA GLU A 108 -0.004 -12.544 0.040 1.00 0.00 C ATOM 1696 C GLU A 108 -0.935 -12.579 1.254 1.00 0.00 C ATOM 1697 O GLU A 108 -1.387 -13.648 1.663 1.00 0.00 O ATOM 1698 CB GLU A 108 1.346 -11.923 0.402 1.00 0.00 C ATOM 1699 CG GLU A 108 2.448 -12.420 -0.536 1.00 0.00 C ATOM 1700 CD GLU A 108 3.767 -11.692 -0.268 1.00 0.00 C ATOM 1701 OE1 GLU A 108 3.940 -11.239 0.884 1.00 0.00 O ATOM 1702 OE2 GLU A 108 4.571 -11.606 -1.221 1.00 0.00 O ATOM 0 H GLU A 108 -0.062 -11.080 -1.458 1.00 0.00 H new ATOM 0 HA GLU A 108 0.180 -13.569 -0.282 1.00 0.00 H new ATOM 0 HB2 GLU A 108 1.278 -10.837 0.345 1.00 0.00 H new ATOM 0 HB3 GLU A 108 1.600 -12.173 1.432 1.00 0.00 H new ATOM 0 HG2 GLU A 108 2.587 -13.493 -0.403 1.00 0.00 H new ATOM 0 HG3 GLU A 108 2.146 -12.264 -1.572 1.00 0.00 H new ATOM 1709 N LYS A 109 -1.193 -11.398 1.796 1.00 0.00 N ATOM 1710 CA LYS A 109 -2.061 -11.281 2.955 1.00 0.00 C ATOM 1711 C LYS A 109 -3.322 -12.118 2.730 1.00 0.00 C ATOM 1712 O LYS A 109 -3.732 -12.879 3.605 1.00 0.00 O ATOM 1713 CB LYS A 109 -2.347 -9.810 3.264 1.00 0.00 C ATOM 1714 CG LYS A 109 -1.179 -9.171 4.019 1.00 0.00 C ATOM 1715 CD LYS A 109 -1.145 -9.640 5.475 1.00 0.00 C ATOM 1716 CE LYS A 109 -2.078 -8.794 6.344 1.00 0.00 C ATOM 1717 NZ LYS A 109 -2.693 -9.625 7.403 1.00 0.00 N ATOM 0 H LYS A 109 -0.816 -10.514 1.454 1.00 0.00 H new ATOM 0 HA LYS A 109 -1.568 -11.679 3.842 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -2.525 -9.268 2.335 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -3.257 -9.730 3.859 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -0.240 -9.428 3.528 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -1.270 -8.085 3.985 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -1.441 -10.688 5.531 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -0.127 -9.575 5.858 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -1.520 -7.973 6.795 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -2.857 -8.348 5.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -3.446 -9.085 7.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -3.097 -10.484 6.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -1.969 -9.891 8.100 1.00 0.00 H new ATOM 1731 N LYS A 110 -3.903 -11.949 1.551 1.00 0.00 N ATOM 1732 CA LYS A 110 -5.109 -12.679 1.199 1.00 0.00 C ATOM 1733 C LYS A 110 -4.888 -14.172 1.452 1.00 0.00 C ATOM 1734 O LYS A 110 -5.733 -14.835 2.052 1.00 0.00 O ATOM 1735 CB LYS A 110 -5.532 -12.355 -0.235 1.00 0.00 C ATOM 1736 CG LYS A 110 -6.690 -13.250 -0.681 1.00 0.00 C ATOM 1737 CD LYS A 110 -7.049 -12.994 -2.146 1.00 0.00 C ATOM 1738 CE LYS A 110 -8.153 -13.944 -2.614 1.00 0.00 C ATOM 1739 NZ LYS A 110 -9.368 -13.184 -2.982 1.00 0.00 N ATOM 0 H LYS A 110 -3.561 -11.317 0.827 1.00 0.00 H new ATOM 0 HA LYS A 110 -5.941 -12.367 1.831 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -5.830 -11.309 -0.302 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -4.684 -12.489 -0.907 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -6.417 -14.297 -0.547 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -7.561 -13.065 -0.052 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -7.376 -11.962 -2.269 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -6.164 -13.124 -2.769 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -7.805 -14.522 -3.470 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -8.388 -14.656 -1.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -10.108 -13.843 -3.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -9.708 -12.652 -2.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -9.143 -12.522 -3.752 1.00 0.00 H new ATOM 1753 N SER A 111 -3.748 -14.657 0.982 1.00 0.00 N ATOM 1754 CA SER A 111 -3.406 -16.059 1.150 1.00 0.00 C ATOM 1755 C SER A 111 -3.574 -16.467 2.615 1.00 0.00 C ATOM 1756 O SER A 111 -4.403 -17.318 2.935 1.00 0.00 O ATOM 1757 CB SER A 111 -1.976 -16.337 0.682 1.00 0.00 C ATOM 1758 OG SER A 111 -1.929 -17.353 -0.316 1.00 0.00 O ATOM 0 H SER A 111 -3.050 -14.104 0.485 1.00 0.00 H new ATOM 0 HA SER A 111 -4.083 -16.652 0.535 1.00 0.00 H new ATOM 0 HB2 SER A 111 -1.539 -15.420 0.287 1.00 0.00 H new ATOM 0 HB3 SER A 111 -1.367 -16.638 1.535 1.00 0.00 H new ATOM 0 HG SER A 111 -2.503 -17.099 -1.068 1.00 0.00 H new ATOM 1764 N LEU A 112 -2.775 -15.841 3.466 1.00 0.00 N ATOM 1765 CA LEU A 112 -2.824 -16.128 4.889 1.00 0.00 C ATOM 1766 C LEU A 112 -4.283 -16.292 5.321 1.00 0.00 C ATOM 1767 O LEU A 112 -4.645 -17.299 5.928 1.00 0.00 O ATOM 1768 CB LEU A 112 -2.066 -15.058 5.678 1.00 0.00 C ATOM 1769 CG LEU A 112 -0.541 -15.097 5.566 1.00 0.00 C ATOM 1770 CD1 LEU A 112 -0.006 -13.816 4.922 1.00 0.00 C ATOM 1771 CD2 LEU A 112 0.103 -15.366 6.927 1.00 0.00 C ATOM 0 H LEU A 112 -2.089 -15.135 3.197 1.00 0.00 H new ATOM 0 HA LEU A 112 -2.318 -17.069 5.106 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -2.410 -14.078 5.346 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -2.336 -15.151 6.730 1.00 0.00 H new ATOM 0 HG LEU A 112 -0.268 -15.925 4.912 1.00 0.00 H new ATOM 0 HD11 LEU A 112 1.081 -13.869 4.854 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -0.427 -13.708 3.922 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -0.290 -12.957 5.530 1.00 0.00 H new ATOM 0 HD21 LEU A 112 1.187 -15.389 6.818 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -0.176 -14.576 7.624 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -0.243 -16.326 7.310 1.00 0.00 H new ATOM 1783 N SER A 113 -5.081 -15.287 4.992 1.00 0.00 N ATOM 1784 CA SER A 113 -6.492 -15.308 5.338 1.00 0.00 C ATOM 1785 C SER A 113 -7.058 -16.716 5.142 1.00 0.00 C ATOM 1786 O SER A 113 -7.508 -17.346 6.098 1.00 0.00 O ATOM 1787 CB SER A 113 -7.280 -14.298 4.502 1.00 0.00 C ATOM 1788 OG SER A 113 -8.488 -13.900 5.143 1.00 0.00 O ATOM 0 H SER A 113 -4.777 -14.453 4.490 1.00 0.00 H new ATOM 0 HA SER A 113 -6.591 -15.026 6.386 1.00 0.00 H new ATOM 0 HB2 SER A 113 -6.662 -13.420 4.317 1.00 0.00 H new ATOM 0 HB3 SER A 113 -7.512 -14.734 3.531 1.00 0.00 H new ATOM 0 HG SER A 113 -8.961 -13.254 4.578 1.00 0.00 H new ATOM 1794 N GLY A 114 -7.018 -17.167 3.897 1.00 0.00 N ATOM 1795 CA GLY A 114 -7.522 -18.488 3.564 1.00 0.00 C ATOM 1796 C GLY A 114 -7.236 -18.831 2.100 1.00 0.00 C ATOM 1797 O GLY A 114 -6.144 -19.291 1.768 1.00 0.00 O ATOM 0 H GLY A 114 -6.644 -16.641 3.107 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -7.059 -19.232 4.213 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -8.596 -18.529 3.748 1.00 0.00 H new ATOM 1801 N PRO A 115 -8.262 -18.587 1.241 1.00 0.00 N ATOM 1802 CA PRO A 115 -8.131 -18.864 -0.179 1.00 0.00 C ATOM 1803 C PRO A 115 -7.260 -17.810 -0.866 1.00 0.00 C ATOM 1804 O PRO A 115 -7.115 -16.697 -0.364 1.00 0.00 O ATOM 1805 CB PRO A 115 -9.556 -18.892 -0.707 1.00 0.00 C ATOM 1806 CG PRO A 115 -10.400 -18.174 0.334 1.00 0.00 C ATOM 1807 CD PRO A 115 -9.568 -18.042 1.599 1.00 0.00 C ATOM 0 HA PRO A 115 -7.627 -19.810 -0.378 1.00 0.00 H new ATOM 0 HB2 PRO A 115 -9.624 -18.395 -1.675 1.00 0.00 H new ATOM 0 HB3 PRO A 115 -9.900 -19.917 -0.850 1.00 0.00 H new ATOM 0 HG2 PRO A 115 -10.700 -17.191 -0.030 1.00 0.00 H new ATOM 0 HG3 PRO A 115 -11.314 -18.732 0.535 1.00 0.00 H new ATOM 0 HD2 PRO A 115 -9.490 -17.002 1.915 1.00 0.00 H new ATOM 0 HD3 PRO A 115 -10.014 -18.594 2.426 1.00 0.00 H new ATOM 1815 N SER A 116 -6.703 -18.199 -2.003 1.00 0.00 N ATOM 1816 CA SER A 116 -5.850 -17.302 -2.764 1.00 0.00 C ATOM 1817 C SER A 116 -6.389 -17.150 -4.188 1.00 0.00 C ATOM 1818 O SER A 116 -7.085 -18.031 -4.689 1.00 0.00 O ATOM 1819 CB SER A 116 -4.406 -17.807 -2.794 1.00 0.00 C ATOM 1820 OG SER A 116 -3.475 -16.750 -3.007 1.00 0.00 O ATOM 0 H SER A 116 -6.826 -19.124 -2.416 1.00 0.00 H new ATOM 0 HA SER A 116 -5.855 -16.328 -2.274 1.00 0.00 H new ATOM 0 HB2 SER A 116 -4.177 -18.307 -1.853 1.00 0.00 H new ATOM 0 HB3 SER A 116 -4.298 -18.550 -3.584 1.00 0.00 H new ATOM 0 HG SER A 116 -2.567 -17.117 -3.050 1.00 0.00 H new ATOM 1826 N SER A 117 -6.047 -16.025 -4.799 1.00 0.00 N ATOM 1827 CA SER A 117 -6.487 -15.746 -6.155 1.00 0.00 C ATOM 1828 C SER A 117 -6.130 -16.917 -7.072 1.00 0.00 C ATOM 1829 O SER A 117 -4.956 -17.154 -7.354 1.00 0.00 O ATOM 1830 CB SER A 117 -5.865 -14.451 -6.681 1.00 0.00 C ATOM 1831 OG SER A 117 -4.488 -14.615 -7.008 1.00 0.00 O ATOM 0 H SER A 117 -5.470 -15.296 -4.379 1.00 0.00 H new ATOM 0 HA SER A 117 -7.569 -15.618 -6.144 1.00 0.00 H new ATOM 0 HB2 SER A 117 -6.410 -14.120 -7.565 1.00 0.00 H new ATOM 0 HB3 SER A 117 -5.969 -13.668 -5.930 1.00 0.00 H new ATOM 0 HG SER A 117 -4.244 -15.561 -6.930 1.00 0.00 H new ATOM 1837 N GLY A 118 -7.164 -17.618 -7.513 1.00 0.00 N ATOM 1838 CA GLY A 118 -6.974 -18.759 -8.393 1.00 0.00 C ATOM 1839 C GLY A 118 -7.432 -20.054 -7.718 1.00 0.00 C ATOM 1840 O GLY A 118 -7.279 -20.215 -6.508 1.00 0.00 O ATOM 0 H GLY A 118 -8.136 -17.418 -7.278 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -7.534 -18.608 -9.316 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -5.922 -18.840 -8.668 1.00 0.00 H new TER 1844 GLY A 118