USER MOD reduce.3.24.130724 H: found=0, std=0, add=551, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 549 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 46 THR OG1 : rot 180:sc= -2.03! USER MOD Set 1.2: A 51 THR OG1 : rot 180:sc= -0.486 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.42 USER MOD Single : A 12 GLN : amide:sc= -0.616 X(o=-0.62,f=-0.62) USER MOD Single : A 15 HIS : no HD1:sc= -0.941 X(o=-0.94,f=-1.2) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 MET CE :methyl 154:sc= -0.333 (180deg=-1.05) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot -5:sc= 0.144 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -2.2 X(o=-2.2,f=-2.4) USER MOD Single : A 27 TYR OH : rot 80:sc= -1.09 USER MOD Single : A 29 CYS SG : rot 30:sc= 0.164 USER MOD Single : A 32 SER OG : rot 36:sc= 0.358 USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 HIS : no HD1:sc= -4.19! C(o=-4.2!,f=-5.1!) USER MOD Single : A 40 THR OG1 : rot 31:sc= 0.767 USER MOD Single : A 42 THR OG1 : rot -140:sc= 1.28 USER MOD Single : A 52 CYS SG : rot -120:sc= -2.07 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot -116:sc= -1.12 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 143:sc= -3.81! (180deg=-5.59!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 HIS : no HD1:sc= -6.67! C(o=-6.7!,f=-7.3!) USER MOD Single : A 72 ASN : amide:sc= -0.196 K(o=-0.2,f=-2.1!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N LYS A 8 -19.847 6.608 -4.854 1.00 0.00 N ATOM 67 CA LYS A 8 -19.201 6.380 -6.141 1.00 0.00 C ATOM 68 C LYS A 8 -17.705 6.143 -5.964 1.00 0.00 C ATOM 69 O LYS A 8 -17.048 6.815 -5.167 1.00 0.00 O ATOM 70 CB LYS A 8 -19.432 7.573 -7.070 1.00 0.00 C ATOM 71 CG LYS A 8 -20.804 7.579 -7.722 1.00 0.00 C ATOM 72 CD LYS A 8 -20.792 6.847 -9.054 1.00 0.00 C ATOM 73 CE LYS A 8 -22.069 7.098 -9.840 1.00 0.00 C ATOM 74 NZ LYS A 8 -22.035 8.408 -10.549 1.00 0.00 N ATOM 0 HA LYS A 8 -19.642 5.489 -6.588 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -19.305 8.495 -6.502 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -18.669 7.570 -7.848 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -21.527 7.110 -7.055 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -21.131 8.608 -7.874 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -19.933 7.172 -9.641 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -20.674 5.777 -8.881 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -22.213 6.296 -10.564 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -22.923 7.073 -9.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -22.923 8.542 -11.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -21.923 9.175 -9.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -21.235 8.422 -11.214 1.00 0.00 H new ATOM 88 N THR A 9 -17.169 5.183 -6.712 1.00 0.00 N ATOM 89 CA THR A 9 -15.751 4.858 -6.638 1.00 0.00 C ATOM 90 C THR A 9 -14.895 6.012 -7.145 1.00 0.00 C ATOM 91 O THR A 9 -15.337 6.844 -7.938 1.00 0.00 O ATOM 92 CB THR A 9 -15.421 3.593 -7.453 1.00 0.00 C ATOM 93 OG1 THR A 9 -15.029 3.955 -8.782 1.00 0.00 O ATOM 94 CG2 THR A 9 -16.620 2.658 -7.509 1.00 0.00 C ATOM 0 H THR A 9 -17.697 4.617 -7.376 1.00 0.00 H new ATOM 0 HA THR A 9 -15.524 4.675 -5.588 1.00 0.00 H new ATOM 0 HB THR A 9 -14.598 3.074 -6.961 1.00 0.00 H new ATOM 0 HG1 THR A 9 -14.819 3.146 -9.293 1.00 0.00 H new ATOM 0 HG21 THR A 9 -16.364 1.772 -8.090 1.00 0.00 H new ATOM 0 HG22 THR A 9 -16.898 2.361 -6.498 1.00 0.00 H new ATOM 0 HG23 THR A 9 -17.459 3.170 -7.980 1.00 0.00 H new ATOM 102 N PRO A 10 -13.638 6.068 -6.679 1.00 0.00 N ATOM 103 CA PRO A 10 -12.693 7.117 -7.073 1.00 0.00 C ATOM 104 C PRO A 10 -12.252 6.983 -8.526 1.00 0.00 C ATOM 105 O PRO A 10 -11.825 7.957 -9.147 1.00 0.00 O ATOM 106 CB PRO A 10 -11.506 6.897 -6.131 1.00 0.00 C ATOM 107 CG PRO A 10 -11.580 5.456 -5.758 1.00 0.00 C ATOM 108 CD PRO A 10 -13.043 5.111 -5.731 1.00 0.00 C ATOM 0 HA PRO A 10 -13.134 8.111 -7.000 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -10.562 7.131 -6.623 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -11.574 7.538 -5.252 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -11.046 4.838 -6.480 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -11.119 5.280 -4.786 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -13.218 4.080 -6.038 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -13.463 5.222 -4.731 1.00 0.00 H new ATOM 116 N ILE A 11 -12.357 5.772 -9.063 1.00 0.00 N ATOM 117 CA ILE A 11 -11.970 5.512 -10.444 1.00 0.00 C ATOM 118 C ILE A 11 -13.073 5.928 -11.411 1.00 0.00 C ATOM 119 O ILE A 11 -12.800 6.338 -12.539 1.00 0.00 O ATOM 120 CB ILE A 11 -11.642 4.024 -10.666 1.00 0.00 C ATOM 121 CG1 ILE A 11 -10.609 3.548 -9.642 1.00 0.00 C ATOM 122 CG2 ILE A 11 -11.133 3.800 -12.082 1.00 0.00 C ATOM 123 CD1 ILE A 11 -9.223 4.108 -9.876 1.00 0.00 C ATOM 0 H ILE A 11 -12.707 4.955 -8.562 1.00 0.00 H new ATOM 0 HA ILE A 11 -11.077 6.105 -10.639 1.00 0.00 H new ATOM 0 HB ILE A 11 -12.554 3.442 -10.531 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -10.942 3.831 -8.643 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -10.561 2.459 -9.666 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -10.905 2.744 -12.224 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -11.898 4.106 -12.796 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -10.231 4.390 -12.242 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -8.544 3.728 -9.113 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -8.869 3.804 -10.861 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -9.256 5.196 -9.823 1.00 0.00 H new ATOM 135 N GLN A 12 -14.319 5.820 -10.961 1.00 0.00 N ATOM 136 CA GLN A 12 -15.463 6.186 -11.787 1.00 0.00 C ATOM 137 C GLN A 12 -15.725 7.687 -11.721 1.00 0.00 C ATOM 138 O GLN A 12 -16.265 8.276 -12.657 1.00 0.00 O ATOM 139 CB GLN A 12 -16.709 5.419 -11.339 1.00 0.00 C ATOM 140 CG GLN A 12 -16.765 3.992 -11.861 1.00 0.00 C ATOM 141 CD GLN A 12 -16.290 3.877 -13.296 1.00 0.00 C ATOM 142 OE1 GLN A 12 -16.956 4.340 -14.222 1.00 0.00 O ATOM 143 NE2 GLN A 12 -15.131 3.257 -13.488 1.00 0.00 N ATOM 0 H GLN A 12 -14.562 5.482 -10.030 1.00 0.00 H new ATOM 0 HA GLN A 12 -15.233 5.921 -12.819 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -16.742 5.400 -10.250 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -17.596 5.955 -11.675 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -16.151 3.353 -11.227 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -17.788 3.623 -11.790 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -14.612 2.888 -12.691 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -14.760 3.150 -14.432 1.00 0.00 H new ATOM 152 N VAL A 13 -15.338 8.301 -10.607 1.00 0.00 N ATOM 153 CA VAL A 13 -15.530 9.734 -10.418 1.00 0.00 C ATOM 154 C VAL A 13 -14.459 10.533 -11.152 1.00 0.00 C ATOM 155 O VAL A 13 -14.765 11.350 -12.021 1.00 0.00 O ATOM 156 CB VAL A 13 -15.505 10.112 -8.925 1.00 0.00 C ATOM 157 CG1 VAL A 13 -15.514 11.624 -8.757 1.00 0.00 C ATOM 158 CG2 VAL A 13 -16.680 9.479 -8.196 1.00 0.00 C ATOM 0 H VAL A 13 -14.890 7.828 -9.822 1.00 0.00 H new ATOM 0 HA VAL A 13 -16.509 9.979 -10.830 1.00 0.00 H new ATOM 0 HB VAL A 13 -14.585 9.727 -8.486 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -15.496 11.872 -7.696 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -14.637 12.049 -9.244 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -16.416 12.035 -9.211 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -16.647 9.756 -7.142 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -17.613 9.832 -8.635 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -16.623 8.394 -8.287 1.00 0.00 H new ATOM 168 N LEU A 14 -13.202 10.293 -10.796 1.00 0.00 N ATOM 169 CA LEU A 14 -12.083 10.990 -11.422 1.00 0.00 C ATOM 170 C LEU A 14 -12.211 10.971 -12.941 1.00 0.00 C ATOM 171 O LEU A 14 -12.307 12.020 -13.580 1.00 0.00 O ATOM 172 CB LEU A 14 -10.759 10.349 -11.002 1.00 0.00 C ATOM 173 CG LEU A 14 -9.552 11.285 -10.935 1.00 0.00 C ATOM 174 CD1 LEU A 14 -8.256 10.489 -10.967 1.00 0.00 C ATOM 175 CD2 LEU A 14 -9.592 12.290 -12.078 1.00 0.00 C ATOM 0 H LEU A 14 -12.932 9.621 -10.077 1.00 0.00 H new ATOM 0 HA LEU A 14 -12.100 12.027 -11.088 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -10.894 9.892 -10.022 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -10.531 9.544 -11.700 1.00 0.00 H new ATOM 0 HG LEU A 14 -9.594 11.833 -9.994 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -7.408 11.172 -10.918 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -8.225 9.811 -10.114 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -8.205 9.913 -11.891 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -8.725 12.948 -12.014 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -9.576 11.759 -13.030 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -10.504 12.883 -12.009 1.00 0.00 H new ATOM 187 N HIS A 15 -12.213 9.772 -13.516 1.00 0.00 N ATOM 188 CA HIS A 15 -12.332 9.617 -14.961 1.00 0.00 C ATOM 189 C HIS A 15 -13.552 10.365 -15.489 1.00 0.00 C ATOM 190 O HIS A 15 -13.424 11.309 -16.268 1.00 0.00 O ATOM 191 CB HIS A 15 -12.428 8.137 -15.330 1.00 0.00 C ATOM 192 CG HIS A 15 -12.461 7.888 -16.807 1.00 0.00 C ATOM 193 ND1 HIS A 15 -11.382 8.123 -17.633 1.00 0.00 N ATOM 194 CD2 HIS A 15 -13.449 7.421 -17.604 1.00 0.00 C ATOM 195 CE1 HIS A 15 -11.706 7.813 -18.876 1.00 0.00 C ATOM 196 NE2 HIS A 15 -12.955 7.383 -18.885 1.00 0.00 N ATOM 0 H HIS A 15 -12.134 8.894 -13.003 1.00 0.00 H new ATOM 0 HA HIS A 15 -11.440 10.042 -15.422 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -11.578 7.608 -14.900 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -13.327 7.716 -14.879 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -14.441 7.132 -17.291 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -11.060 7.897 -19.737 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -13.469 7.073 -19.710 1.00 0.00 H new ATOM 204 N GLU A 16 -14.735 9.936 -15.060 1.00 0.00 N ATOM 205 CA GLU A 16 -15.978 10.566 -15.492 1.00 0.00 C ATOM 206 C GLU A 16 -15.896 12.083 -15.353 1.00 0.00 C ATOM 207 O GLU A 16 -16.472 12.822 -16.152 1.00 0.00 O ATOM 208 CB GLU A 16 -17.157 10.031 -14.676 1.00 0.00 C ATOM 209 CG GLU A 16 -17.485 8.575 -14.963 1.00 0.00 C ATOM 210 CD GLU A 16 -18.444 8.411 -16.126 1.00 0.00 C ATOM 211 OE1 GLU A 16 -19.670 8.443 -15.893 1.00 0.00 O ATOM 212 OE2 GLU A 16 -17.967 8.252 -17.269 1.00 0.00 O ATOM 0 H GLU A 16 -14.859 9.156 -14.415 1.00 0.00 H new ATOM 0 HA GLU A 16 -16.133 10.323 -16.543 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -16.934 10.142 -13.615 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -18.037 10.640 -14.882 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -16.563 8.034 -15.178 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -17.920 8.122 -14.072 1.00 0.00 H new ATOM 219 N TYR A 17 -15.177 12.540 -14.334 1.00 0.00 N ATOM 220 CA TYR A 17 -15.022 13.969 -14.088 1.00 0.00 C ATOM 221 C TYR A 17 -14.127 14.609 -15.144 1.00 0.00 C ATOM 222 O TYR A 17 -14.464 15.646 -15.714 1.00 0.00 O ATOM 223 CB TYR A 17 -14.437 14.207 -12.695 1.00 0.00 C ATOM 224 CG TYR A 17 -13.665 15.502 -12.575 1.00 0.00 C ATOM 225 CD1 TYR A 17 -14.325 16.720 -12.469 1.00 0.00 C ATOM 226 CD2 TYR A 17 -12.276 15.507 -12.568 1.00 0.00 C ATOM 227 CE1 TYR A 17 -13.624 17.905 -12.360 1.00 0.00 C ATOM 228 CE2 TYR A 17 -11.566 16.687 -12.458 1.00 0.00 C ATOM 229 CZ TYR A 17 -12.245 17.883 -12.355 1.00 0.00 C ATOM 230 OH TYR A 17 -11.543 19.062 -12.246 1.00 0.00 O ATOM 0 H TYR A 17 -14.692 11.942 -13.665 1.00 0.00 H new ATOM 0 HA TYR A 17 -16.008 14.431 -14.145 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -15.247 14.208 -11.965 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -13.779 13.376 -12.440 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -15.405 16.741 -12.472 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -11.742 14.572 -12.650 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -14.153 18.843 -12.279 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -10.486 16.673 -12.453 1.00 0.00 H new ATOM 0 HH TYR A 17 -10.582 18.872 -12.257 1.00 0.00 H new ATOM 240 N GLY A 18 -12.983 13.982 -15.400 1.00 0.00 N ATOM 241 CA GLY A 18 -12.056 14.504 -16.387 1.00 0.00 C ATOM 242 C GLY A 18 -12.761 15.058 -17.609 1.00 0.00 C ATOM 243 O GLY A 18 -12.580 16.223 -17.963 1.00 0.00 O ATOM 0 H GLY A 18 -12.682 13.122 -14.942 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -11.451 15.289 -15.933 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -11.373 13.712 -16.694 1.00 0.00 H new ATOM 247 N MET A 19 -13.566 14.221 -18.256 1.00 0.00 N ATOM 248 CA MET A 19 -14.301 14.635 -19.446 1.00 0.00 C ATOM 249 C MET A 19 -14.844 16.051 -19.285 1.00 0.00 C ATOM 250 O MET A 19 -14.880 16.826 -20.241 1.00 0.00 O ATOM 251 CB MET A 19 -15.450 13.664 -19.725 1.00 0.00 C ATOM 252 CG MET A 19 -14.992 12.236 -19.971 1.00 0.00 C ATOM 253 SD MET A 19 -16.355 11.133 -20.394 1.00 0.00 S ATOM 254 CE MET A 19 -15.880 9.652 -19.506 1.00 0.00 C ATOM 0 H MET A 19 -13.726 13.253 -17.977 1.00 0.00 H new ATOM 0 HA MET A 19 -13.612 14.624 -20.290 1.00 0.00 H new ATOM 0 HB2 MET A 19 -16.138 13.676 -18.880 1.00 0.00 H new ATOM 0 HB3 MET A 19 -16.007 14.013 -20.594 1.00 0.00 H new ATOM 0 HG2 MET A 19 -14.259 12.227 -20.778 1.00 0.00 H new ATOM 0 HG3 MET A 19 -14.489 11.861 -19.079 1.00 0.00 H new ATOM 0 HE1 MET A 19 -16.769 9.066 -19.273 1.00 0.00 H new ATOM 0 HE2 MET A 19 -15.206 9.058 -20.123 1.00 0.00 H new ATOM 0 HE3 MET A 19 -15.375 9.929 -18.580 1.00 0.00 H new ATOM 264 N LYS A 20 -15.266 16.384 -18.070 1.00 0.00 N ATOM 265 CA LYS A 20 -15.806 17.707 -17.782 1.00 0.00 C ATOM 266 C LYS A 20 -14.790 18.794 -18.117 1.00 0.00 C ATOM 267 O LYS A 20 -15.111 19.773 -18.791 1.00 0.00 O ATOM 268 CB LYS A 20 -16.210 17.807 -16.309 1.00 0.00 C ATOM 269 CG LYS A 20 -17.096 16.665 -15.843 1.00 0.00 C ATOM 270 CD LYS A 20 -18.569 16.994 -16.017 1.00 0.00 C ATOM 271 CE LYS A 20 -19.456 15.881 -15.482 1.00 0.00 C ATOM 272 NZ LYS A 20 -20.797 15.881 -16.130 1.00 0.00 N ATOM 0 H LYS A 20 -15.244 15.754 -17.268 1.00 0.00 H new ATOM 0 HA LYS A 20 -16.688 17.855 -18.405 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -15.310 17.831 -15.695 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -16.732 18.750 -16.147 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -16.855 15.763 -16.406 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -16.892 16.450 -14.794 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -18.799 17.925 -15.498 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -18.784 17.156 -17.073 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -18.972 14.919 -15.649 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -19.573 15.996 -14.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -21.372 15.108 -15.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -21.270 16.790 -15.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -20.687 15.746 -17.155 1.00 0.00 H new ATOM 286 N THR A 21 -13.561 18.616 -17.642 1.00 0.00 N ATOM 287 CA THR A 21 -12.498 19.581 -17.891 1.00 0.00 C ATOM 288 C THR A 21 -11.714 19.224 -19.148 1.00 0.00 C ATOM 289 O THR A 21 -10.530 19.540 -19.266 1.00 0.00 O ATOM 290 CB THR A 21 -11.525 19.664 -16.700 1.00 0.00 C ATOM 291 OG1 THR A 21 -10.939 18.381 -16.455 1.00 0.00 O ATOM 292 CG2 THR A 21 -12.242 20.147 -15.448 1.00 0.00 C ATOM 0 H THR A 21 -13.278 17.812 -17.082 1.00 0.00 H new ATOM 0 HA THR A 21 -12.977 20.550 -18.028 1.00 0.00 H new ATOM 0 HB THR A 21 -10.741 20.379 -16.949 1.00 0.00 H new ATOM 0 HG1 THR A 21 -11.348 17.716 -17.047 1.00 0.00 H new ATOM 0 HG21 THR A 21 -11.535 20.198 -14.620 1.00 0.00 H new ATOM 0 HG22 THR A 21 -12.661 21.137 -15.628 1.00 0.00 H new ATOM 0 HG23 THR A 21 -13.044 19.453 -15.198 1.00 0.00 H new ATOM 300 N LYS A 22 -12.382 18.562 -20.088 1.00 0.00 N ATOM 301 CA LYS A 22 -11.749 18.163 -21.339 1.00 0.00 C ATOM 302 C LYS A 22 -10.379 17.544 -21.083 1.00 0.00 C ATOM 303 O LYS A 22 -9.482 17.630 -21.921 1.00 0.00 O ATOM 304 CB LYS A 22 -11.610 19.369 -22.272 1.00 0.00 C ATOM 305 CG LYS A 22 -12.932 20.041 -22.598 1.00 0.00 C ATOM 306 CD LYS A 22 -13.822 19.142 -23.440 1.00 0.00 C ATOM 307 CE LYS A 22 -13.364 19.104 -24.890 1.00 0.00 C ATOM 308 NZ LYS A 22 -13.972 20.202 -25.692 1.00 0.00 N ATOM 0 H LYS A 22 -13.362 18.291 -20.006 1.00 0.00 H new ATOM 0 HA LYS A 22 -12.383 17.415 -21.815 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -10.945 20.099 -21.811 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -11.137 19.047 -23.200 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -13.447 20.301 -21.673 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -12.746 20.973 -23.132 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -13.815 18.133 -23.029 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -14.851 19.499 -23.392 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -12.278 19.183 -24.930 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -13.630 18.143 -25.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -13.635 20.142 -26.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -15.008 20.112 -25.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -13.698 21.120 -25.288 1.00 0.00 H new ATOM 322 N ASN A 23 -10.224 16.921 -19.919 1.00 0.00 N ATOM 323 CA ASN A 23 -8.963 16.286 -19.554 1.00 0.00 C ATOM 324 C ASN A 23 -9.208 14.957 -18.847 1.00 0.00 C ATOM 325 O ASN A 23 -9.732 14.922 -17.733 1.00 0.00 O ATOM 326 CB ASN A 23 -8.145 17.213 -18.652 1.00 0.00 C ATOM 327 CG ASN A 23 -7.872 18.557 -19.300 1.00 0.00 C ATOM 328 OD1 ASN A 23 -7.520 18.630 -20.478 1.00 0.00 O ATOM 329 ND2 ASN A 23 -8.032 19.628 -18.532 1.00 0.00 N ATOM 0 H ASN A 23 -10.956 16.842 -19.213 1.00 0.00 H new ATOM 0 HA ASN A 23 -8.403 16.092 -20.469 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -8.679 17.367 -17.714 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -7.198 16.733 -18.405 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -7.862 20.559 -18.913 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -8.325 19.520 -17.561 1.00 0.00 H new ATOM 336 N ILE A 24 -8.825 13.866 -19.501 1.00 0.00 N ATOM 337 CA ILE A 24 -9.001 12.534 -18.935 1.00 0.00 C ATOM 338 C ILE A 24 -7.773 12.111 -18.134 1.00 0.00 C ATOM 339 O ILE A 24 -6.632 12.317 -18.546 1.00 0.00 O ATOM 340 CB ILE A 24 -9.271 11.487 -20.031 1.00 0.00 C ATOM 341 CG1 ILE A 24 -10.455 11.920 -20.899 1.00 0.00 C ATOM 342 CG2 ILE A 24 -9.533 10.124 -19.409 1.00 0.00 C ATOM 343 CD1 ILE A 24 -11.746 12.072 -20.126 1.00 0.00 C ATOM 0 H ILE A 24 -8.391 13.878 -20.424 1.00 0.00 H new ATOM 0 HA ILE A 24 -9.865 12.584 -18.272 1.00 0.00 H new ATOM 0 HB ILE A 24 -8.388 11.410 -20.666 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -10.215 12.868 -21.380 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -10.600 11.188 -21.693 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -9.722 9.395 -20.197 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -8.663 9.815 -18.830 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -10.402 10.184 -18.754 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -12.542 12.381 -20.804 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -12.010 11.119 -19.667 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -11.618 12.826 -19.349 1.00 0.00 H new ATOM 355 N PRO A 25 -8.012 11.502 -16.963 1.00 0.00 N ATOM 356 CA PRO A 25 -6.939 11.034 -16.081 1.00 0.00 C ATOM 357 C PRO A 25 -6.191 9.839 -16.662 1.00 0.00 C ATOM 358 O PRO A 25 -6.743 8.744 -16.775 1.00 0.00 O ATOM 359 CB PRO A 25 -7.679 10.633 -14.803 1.00 0.00 C ATOM 360 CG PRO A 25 -9.062 10.307 -15.253 1.00 0.00 C ATOM 361 CD PRO A 25 -9.348 11.224 -16.410 1.00 0.00 C ATOM 0 HA PRO A 25 -6.177 11.798 -15.926 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -7.206 9.776 -14.324 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -7.680 11.444 -14.075 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -9.138 9.262 -15.555 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -9.781 10.459 -14.448 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -9.997 10.751 -17.147 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -9.847 12.137 -16.085 1.00 0.00 H new ATOM 369 N VAL A 26 -4.932 10.055 -17.028 1.00 0.00 N ATOM 370 CA VAL A 26 -4.108 8.994 -17.596 1.00 0.00 C ATOM 371 C VAL A 26 -3.551 8.087 -16.504 1.00 0.00 C ATOM 372 O VAL A 26 -3.283 8.534 -15.389 1.00 0.00 O ATOM 373 CB VAL A 26 -2.939 9.570 -18.416 1.00 0.00 C ATOM 374 CG1 VAL A 26 -3.420 10.703 -19.309 1.00 0.00 C ATOM 375 CG2 VAL A 26 -1.824 10.042 -17.495 1.00 0.00 C ATOM 0 H VAL A 26 -4.460 10.955 -16.942 1.00 0.00 H new ATOM 0 HA VAL A 26 -4.752 8.411 -18.255 1.00 0.00 H new ATOM 0 HB VAL A 26 -2.542 8.781 -19.054 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.580 11.097 -19.881 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -4.181 10.329 -19.994 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.844 11.496 -18.694 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -1.006 10.446 -18.091 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -2.205 10.817 -16.830 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.461 9.202 -16.903 1.00 0.00 H new ATOM 385 N TYR A 27 -3.378 6.812 -16.833 1.00 0.00 N ATOM 386 CA TYR A 27 -2.854 5.841 -15.880 1.00 0.00 C ATOM 387 C TYR A 27 -1.755 4.994 -16.514 1.00 0.00 C ATOM 388 O TYR A 27 -2.023 4.153 -17.372 1.00 0.00 O ATOM 389 CB TYR A 27 -3.979 4.939 -15.369 1.00 0.00 C ATOM 390 CG TYR A 27 -5.040 5.678 -14.586 1.00 0.00 C ATOM 391 CD1 TYR A 27 -5.998 6.449 -15.233 1.00 0.00 C ATOM 392 CD2 TYR A 27 -5.086 5.605 -13.200 1.00 0.00 C ATOM 393 CE1 TYR A 27 -6.969 7.127 -14.522 1.00 0.00 C ATOM 394 CE2 TYR A 27 -6.054 6.278 -12.480 1.00 0.00 C ATOM 395 CZ TYR A 27 -6.993 7.038 -13.146 1.00 0.00 C ATOM 396 OH TYR A 27 -7.960 7.711 -12.434 1.00 0.00 O ATOM 0 H TYR A 27 -3.593 6.427 -17.753 1.00 0.00 H new ATOM 0 HA TYR A 27 -2.426 6.388 -15.040 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -4.447 4.440 -16.218 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -3.551 4.160 -14.738 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -5.983 6.519 -16.311 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -4.352 5.011 -12.676 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -7.705 7.723 -15.041 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -6.075 6.210 -11.402 1.00 0.00 H new ATOM 0 HH TYR A 27 -8.798 7.203 -12.459 1.00 0.00 H new ATOM 406 N GLU A 28 -0.519 5.222 -16.084 1.00 0.00 N ATOM 407 CA GLU A 28 0.622 4.480 -16.610 1.00 0.00 C ATOM 408 C GLU A 28 1.443 3.871 -15.477 1.00 0.00 C ATOM 409 O GLU A 28 1.590 4.470 -14.411 1.00 0.00 O ATOM 410 CB GLU A 28 1.505 5.395 -17.461 1.00 0.00 C ATOM 411 CG GLU A 28 2.268 4.662 -18.551 1.00 0.00 C ATOM 412 CD GLU A 28 1.361 4.139 -19.648 1.00 0.00 C ATOM 413 OE1 GLU A 28 0.270 4.717 -19.839 1.00 0.00 O ATOM 414 OE2 GLU A 28 1.740 3.154 -20.314 1.00 0.00 O ATOM 0 H GLU A 28 -0.281 5.914 -15.373 1.00 0.00 H new ATOM 0 HA GLU A 28 0.241 3.672 -17.235 1.00 0.00 H new ATOM 0 HB2 GLU A 28 0.882 6.164 -17.919 1.00 0.00 H new ATOM 0 HB3 GLU A 28 2.216 5.906 -16.812 1.00 0.00 H new ATOM 0 HG2 GLU A 28 3.008 5.334 -18.986 1.00 0.00 H new ATOM 0 HG3 GLU A 28 2.815 3.829 -18.109 1.00 0.00 H new ATOM 421 N CYS A 29 1.975 2.678 -15.716 1.00 0.00 N ATOM 422 CA CYS A 29 2.781 1.986 -14.716 1.00 0.00 C ATOM 423 C CYS A 29 4.260 2.318 -14.885 1.00 0.00 C ATOM 424 O CYS A 29 4.819 2.167 -15.971 1.00 0.00 O ATOM 425 CB CYS A 29 2.570 0.474 -14.818 1.00 0.00 C ATOM 426 SG CYS A 29 2.984 -0.221 -16.435 1.00 0.00 S ATOM 0 H CYS A 29 1.863 2.169 -16.593 1.00 0.00 H new ATOM 0 HA CYS A 29 2.462 2.324 -13.730 1.00 0.00 H new ATOM 0 HB2 CYS A 29 3.175 -0.019 -14.057 1.00 0.00 H new ATOM 0 HB3 CYS A 29 1.528 0.247 -14.593 1.00 0.00 H new ATOM 0 HG CYS A 29 3.929 0.485 -16.982 1.00 0.00 H new ATOM 432 N GLU A 30 4.886 2.772 -13.804 1.00 0.00 N ATOM 433 CA GLU A 30 6.300 3.128 -13.834 1.00 0.00 C ATOM 434 C GLU A 30 7.166 1.957 -13.379 1.00 0.00 C ATOM 435 O GLU A 30 7.954 1.415 -14.155 1.00 0.00 O ATOM 436 CB GLU A 30 6.561 4.346 -12.945 1.00 0.00 C ATOM 437 CG GLU A 30 6.067 5.652 -13.542 1.00 0.00 C ATOM 438 CD GLU A 30 6.072 6.790 -12.540 1.00 0.00 C ATOM 439 OE1 GLU A 30 7.035 6.883 -11.751 1.00 0.00 O ATOM 440 OE2 GLU A 30 5.111 7.589 -12.546 1.00 0.00 O ATOM 0 H GLU A 30 4.437 2.902 -12.897 1.00 0.00 H new ATOM 0 HA GLU A 30 6.565 3.374 -14.862 1.00 0.00 H new ATOM 0 HB2 GLU A 30 6.078 4.191 -11.980 1.00 0.00 H new ATOM 0 HB3 GLU A 30 7.632 4.425 -12.756 1.00 0.00 H new ATOM 0 HG2 GLU A 30 6.695 5.919 -14.392 1.00 0.00 H new ATOM 0 HG3 GLU A 30 5.055 5.513 -13.923 1.00 0.00 H new ATOM 447 N ARG A 31 7.013 1.572 -12.116 1.00 0.00 N ATOM 448 CA ARG A 31 7.782 0.467 -11.556 1.00 0.00 C ATOM 449 C ARG A 31 6.894 -0.754 -11.333 1.00 0.00 C ATOM 450 O ARG A 31 5.789 -0.642 -10.803 1.00 0.00 O ATOM 451 CB ARG A 31 8.432 0.886 -10.237 1.00 0.00 C ATOM 452 CG ARG A 31 9.805 1.514 -10.407 1.00 0.00 C ATOM 453 CD ARG A 31 10.898 0.458 -10.459 1.00 0.00 C ATOM 454 NE ARG A 31 11.063 -0.094 -11.801 1.00 0.00 N ATOM 455 CZ ARG A 31 11.876 -1.105 -12.085 1.00 0.00 C ATOM 456 NH1 ARG A 31 12.595 -1.672 -11.125 1.00 0.00 N ATOM 457 NH2 ARG A 31 11.972 -1.551 -13.330 1.00 0.00 N ATOM 0 H ARG A 31 6.364 2.009 -11.462 1.00 0.00 H new ATOM 0 HA ARG A 31 8.563 0.202 -12.269 1.00 0.00 H new ATOM 0 HB2 ARG A 31 7.778 1.595 -9.729 1.00 0.00 H new ATOM 0 HB3 ARG A 31 8.519 0.012 -9.591 1.00 0.00 H new ATOM 0 HG2 ARG A 31 9.825 2.105 -11.322 1.00 0.00 H new ATOM 0 HG3 ARG A 31 9.998 2.199 -9.581 1.00 0.00 H new ATOM 0 HD2 ARG A 31 11.840 0.895 -10.129 1.00 0.00 H new ATOM 0 HD3 ARG A 31 10.658 -0.346 -9.763 1.00 0.00 H new ATOM 0 HE ARG A 31 10.524 0.320 -12.562 1.00 0.00 H new ATOM 0 HH11 ARG A 31 12.524 -1.332 -10.166 1.00 0.00 H new ATOM 0 HH12 ARG A 31 13.219 -2.448 -11.346 1.00 0.00 H new ATOM 0 HH21 ARG A 31 11.421 -1.118 -14.071 1.00 0.00 H new ATOM 0 HH22 ARG A 31 12.597 -2.328 -13.547 1.00 0.00 H new ATOM 471 N SER A 32 7.386 -1.920 -11.741 1.00 0.00 N ATOM 472 CA SER A 32 6.636 -3.161 -11.589 1.00 0.00 C ATOM 473 C SER A 32 7.488 -4.231 -10.912 1.00 0.00 C ATOM 474 O SER A 32 8.397 -4.794 -11.521 1.00 0.00 O ATOM 475 CB SER A 32 6.158 -3.662 -12.953 1.00 0.00 C ATOM 476 OG SER A 32 7.232 -3.740 -13.874 1.00 0.00 O ATOM 0 H SER A 32 8.300 -2.031 -12.179 1.00 0.00 H new ATOM 0 HA SER A 32 5.769 -2.959 -10.959 1.00 0.00 H new ATOM 0 HB2 SER A 32 5.698 -4.644 -12.842 1.00 0.00 H new ATOM 0 HB3 SER A 32 5.390 -2.992 -13.341 1.00 0.00 H new ATOM 0 HG SER A 32 8.044 -4.028 -13.406 1.00 0.00 H new ATOM 482 N ASP A 33 7.185 -4.506 -9.648 1.00 0.00 N ATOM 483 CA ASP A 33 7.921 -5.508 -8.886 1.00 0.00 C ATOM 484 C ASP A 33 7.020 -6.685 -8.524 1.00 0.00 C ATOM 485 O ASP A 33 5.977 -6.511 -7.895 1.00 0.00 O ATOM 486 CB ASP A 33 8.505 -4.888 -7.616 1.00 0.00 C ATOM 487 CG ASP A 33 9.781 -5.574 -7.170 1.00 0.00 C ATOM 488 OD1 ASP A 33 10.868 -5.150 -7.614 1.00 0.00 O ATOM 489 OD2 ASP A 33 9.693 -6.535 -6.377 1.00 0.00 O ATOM 0 H ASP A 33 6.435 -4.049 -9.130 1.00 0.00 H new ATOM 0 HA ASP A 33 8.736 -5.875 -9.509 1.00 0.00 H new ATOM 0 HB2 ASP A 33 8.706 -3.831 -7.791 1.00 0.00 H new ATOM 0 HB3 ASP A 33 7.767 -4.944 -6.816 1.00 0.00 H new ATOM 494 N VAL A 34 7.430 -7.883 -8.928 1.00 0.00 N ATOM 495 CA VAL A 34 6.661 -9.089 -8.647 1.00 0.00 C ATOM 496 C VAL A 34 7.429 -10.029 -7.724 1.00 0.00 C ATOM 497 O VAL A 34 8.374 -10.694 -8.148 1.00 0.00 O ATOM 498 CB VAL A 34 6.301 -9.841 -9.942 1.00 0.00 C ATOM 499 CG1 VAL A 34 5.282 -9.052 -10.751 1.00 0.00 C ATOM 500 CG2 VAL A 34 7.552 -10.113 -10.765 1.00 0.00 C ATOM 0 H VAL A 34 8.291 -8.044 -9.451 1.00 0.00 H new ATOM 0 HA VAL A 34 5.743 -8.770 -8.154 1.00 0.00 H new ATOM 0 HB VAL A 34 5.855 -10.799 -9.674 1.00 0.00 H new ATOM 0 HG11 VAL A 34 5.039 -9.598 -11.662 1.00 0.00 H new ATOM 0 HG12 VAL A 34 4.377 -8.913 -10.160 1.00 0.00 H new ATOM 0 HG13 VAL A 34 5.699 -8.079 -11.011 1.00 0.00 H new ATOM 0 HG21 VAL A 34 7.279 -10.645 -11.676 1.00 0.00 H new ATOM 0 HG22 VAL A 34 8.029 -9.168 -11.025 1.00 0.00 H new ATOM 0 HG23 VAL A 34 8.245 -10.721 -10.184 1.00 0.00 H new ATOM 510 N GLN A 35 7.017 -10.078 -6.462 1.00 0.00 N ATOM 511 CA GLN A 35 7.667 -10.937 -5.479 1.00 0.00 C ATOM 512 C GLN A 35 6.642 -11.785 -4.734 1.00 0.00 C ATOM 513 O GLN A 35 6.936 -12.905 -4.314 1.00 0.00 O ATOM 514 CB GLN A 35 8.468 -10.094 -4.485 1.00 0.00 C ATOM 515 CG GLN A 35 9.632 -9.349 -5.118 1.00 0.00 C ATOM 516 CD GLN A 35 10.426 -8.542 -4.110 1.00 0.00 C ATOM 517 OE1 GLN A 35 11.582 -8.853 -3.821 1.00 0.00 O ATOM 518 NE2 GLN A 35 9.809 -7.499 -3.568 1.00 0.00 N ATOM 0 H GLN A 35 6.236 -9.533 -6.096 1.00 0.00 H new ATOM 0 HA GLN A 35 8.346 -11.604 -6.010 1.00 0.00 H new ATOM 0 HB2 GLN A 35 7.801 -9.374 -4.012 1.00 0.00 H new ATOM 0 HB3 GLN A 35 8.849 -10.742 -3.696 1.00 0.00 H new ATOM 0 HG2 GLN A 35 10.293 -10.064 -5.607 1.00 0.00 H new ATOM 0 HG3 GLN A 35 9.254 -8.683 -5.894 1.00 0.00 H new ATOM 0 HE21 GLN A 35 8.850 -7.277 -3.837 1.00 0.00 H new ATOM 0 HE22 GLN A 35 10.294 -6.919 -2.883 1.00 0.00 H new ATOM 527 N ILE A 36 5.439 -11.245 -4.574 1.00 0.00 N ATOM 528 CA ILE A 36 4.370 -11.954 -3.880 1.00 0.00 C ATOM 529 C ILE A 36 3.077 -11.926 -4.689 1.00 0.00 C ATOM 530 O ILE A 36 2.976 -11.223 -5.695 1.00 0.00 O ATOM 531 CB ILE A 36 4.105 -11.349 -2.489 1.00 0.00 C ATOM 532 CG1 ILE A 36 3.337 -10.032 -2.619 1.00 0.00 C ATOM 533 CG2 ILE A 36 5.415 -11.134 -1.746 1.00 0.00 C ATOM 534 CD1 ILE A 36 4.144 -8.923 -3.257 1.00 0.00 C ATOM 0 H ILE A 36 5.180 -10.319 -4.915 1.00 0.00 H new ATOM 0 HA ILE A 36 4.700 -12.986 -3.762 1.00 0.00 H new ATOM 0 HB ILE A 36 3.496 -12.048 -1.916 1.00 0.00 H new ATOM 0 HG12 ILE A 36 2.437 -10.202 -3.210 1.00 0.00 H new ATOM 0 HG13 ILE A 36 3.012 -9.711 -1.629 1.00 0.00 H new ATOM 0 HG21 ILE A 36 5.211 -10.706 -0.765 1.00 0.00 H new ATOM 0 HG22 ILE A 36 5.926 -12.089 -1.626 1.00 0.00 H new ATOM 0 HG23 ILE A 36 6.048 -10.453 -2.314 1.00 0.00 H new ATOM 0 HD11 ILE A 36 3.537 -8.020 -3.317 1.00 0.00 H new ATOM 0 HD12 ILE A 36 5.031 -8.725 -2.654 1.00 0.00 H new ATOM 0 HD13 ILE A 36 4.447 -9.224 -4.260 1.00 0.00 H new ATOM 546 N HIS A 37 2.090 -12.695 -4.241 1.00 0.00 N ATOM 547 CA HIS A 37 0.801 -12.758 -4.922 1.00 0.00 C ATOM 548 C HIS A 37 0.391 -11.381 -5.437 1.00 0.00 C ATOM 549 O HIS A 37 0.085 -11.215 -6.618 1.00 0.00 O ATOM 550 CB HIS A 37 -0.272 -13.302 -3.979 1.00 0.00 C ATOM 551 CG HIS A 37 -0.576 -12.392 -2.829 1.00 0.00 C ATOM 552 ND1 HIS A 37 0.365 -12.026 -1.890 1.00 0.00 N ATOM 553 CD2 HIS A 37 -1.725 -11.773 -2.470 1.00 0.00 C ATOM 554 CE1 HIS A 37 -0.193 -11.221 -1.002 1.00 0.00 C ATOM 555 NE2 HIS A 37 -1.460 -11.051 -1.332 1.00 0.00 N ATOM 0 H HIS A 37 2.158 -13.283 -3.410 1.00 0.00 H new ATOM 0 HA HIS A 37 0.901 -13.431 -5.774 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -1.187 -13.477 -4.545 1.00 0.00 H new ATOM 0 HB3 HIS A 37 0.052 -14.268 -3.592 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -2.673 -11.835 -2.983 1.00 0.00 H new ATOM 0 HE1 HIS A 37 0.303 -10.778 -0.151 1.00 0.00 H new ATOM 0 HE2 HIS A 37 -2.133 -10.477 -0.824 1.00 0.00 H new ATOM 563 N VAL A 38 0.388 -10.397 -4.543 1.00 0.00 N ATOM 564 CA VAL A 38 0.016 -9.035 -4.908 1.00 0.00 C ATOM 565 C VAL A 38 1.251 -8.166 -5.116 1.00 0.00 C ATOM 566 O VAL A 38 1.867 -7.681 -4.166 1.00 0.00 O ATOM 567 CB VAL A 38 -0.877 -8.390 -3.831 1.00 0.00 C ATOM 568 CG1 VAL A 38 -0.130 -8.286 -2.510 1.00 0.00 C ATOM 569 CG2 VAL A 38 -1.360 -7.023 -4.289 1.00 0.00 C ATOM 0 H VAL A 38 0.639 -10.517 -3.562 1.00 0.00 H new ATOM 0 HA VAL A 38 -0.542 -9.098 -5.842 1.00 0.00 H new ATOM 0 HB VAL A 38 -1.749 -9.026 -3.678 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -0.777 -7.828 -1.761 1.00 0.00 H new ATOM 0 HG12 VAL A 38 0.161 -9.282 -2.177 1.00 0.00 H new ATOM 0 HG13 VAL A 38 0.761 -7.673 -2.643 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -1.989 -6.582 -3.516 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -0.502 -6.376 -4.471 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -1.936 -7.130 -5.209 1.00 0.00 H new ATOM 579 N PRO A 39 1.623 -7.962 -6.388 1.00 0.00 N ATOM 580 CA PRO A 39 2.788 -7.148 -6.751 1.00 0.00 C ATOM 581 C PRO A 39 2.568 -5.665 -6.475 1.00 0.00 C ATOM 582 O PRO A 39 1.519 -5.266 -5.968 1.00 0.00 O ATOM 583 CB PRO A 39 2.938 -7.396 -8.254 1.00 0.00 C ATOM 584 CG PRO A 39 1.572 -7.770 -8.715 1.00 0.00 C ATOM 585 CD PRO A 39 0.936 -8.509 -7.570 1.00 0.00 C ATOM 0 HA PRO A 39 3.670 -7.417 -6.170 1.00 0.00 H new ATOM 0 HB2 PRO A 39 3.299 -6.505 -8.768 1.00 0.00 H new ATOM 0 HB3 PRO A 39 3.655 -8.192 -8.454 1.00 0.00 H new ATOM 0 HG2 PRO A 39 0.993 -6.885 -8.978 1.00 0.00 H new ATOM 0 HG3 PRO A 39 1.619 -8.396 -9.606 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -0.139 -8.334 -7.527 1.00 0.00 H new ATOM 0 HD3 PRO A 39 1.081 -9.586 -7.657 1.00 0.00 H new ATOM 593 N THR A 40 3.563 -4.851 -6.812 1.00 0.00 N ATOM 594 CA THR A 40 3.478 -3.411 -6.600 1.00 0.00 C ATOM 595 C THR A 40 3.641 -2.652 -7.911 1.00 0.00 C ATOM 596 O THR A 40 4.706 -2.680 -8.529 1.00 0.00 O ATOM 597 CB THR A 40 4.548 -2.927 -5.603 1.00 0.00 C ATOM 598 OG1 THR A 40 5.856 -3.180 -6.126 1.00 0.00 O ATOM 599 CG2 THR A 40 4.390 -3.623 -4.259 1.00 0.00 C ATOM 0 H THR A 40 4.438 -5.164 -7.233 1.00 0.00 H new ATOM 0 HA THR A 40 2.489 -3.209 -6.188 1.00 0.00 H new ATOM 0 HB THR A 40 4.417 -1.855 -5.457 1.00 0.00 H new ATOM 0 HG1 THR A 40 5.832 -3.131 -7.104 1.00 0.00 H new ATOM 0 HG21 THR A 40 5.156 -3.265 -3.572 1.00 0.00 H new ATOM 0 HG22 THR A 40 3.404 -3.404 -3.849 1.00 0.00 H new ATOM 0 HG23 THR A 40 4.496 -4.700 -4.392 1.00 0.00 H new ATOM 607 N PHE A 41 2.580 -1.972 -8.331 1.00 0.00 N ATOM 608 CA PHE A 41 2.605 -1.204 -9.571 1.00 0.00 C ATOM 609 C PHE A 41 2.391 0.282 -9.295 1.00 0.00 C ATOM 610 O PHE A 41 1.412 0.672 -8.657 1.00 0.00 O ATOM 611 CB PHE A 41 1.533 -1.715 -10.535 1.00 0.00 C ATOM 612 CG PHE A 41 1.905 -3.000 -11.218 1.00 0.00 C ATOM 613 CD1 PHE A 41 1.846 -4.205 -10.537 1.00 0.00 C ATOM 614 CD2 PHE A 41 2.313 -3.002 -12.542 1.00 0.00 C ATOM 615 CE1 PHE A 41 2.187 -5.389 -11.163 1.00 0.00 C ATOM 616 CE2 PHE A 41 2.655 -4.183 -13.174 1.00 0.00 C ATOM 617 CZ PHE A 41 2.593 -5.377 -12.483 1.00 0.00 C ATOM 0 H PHE A 41 1.692 -1.937 -7.831 1.00 0.00 H new ATOM 0 HA PHE A 41 3.586 -1.333 -10.029 1.00 0.00 H new ATOM 0 HB2 PHE A 41 0.602 -1.860 -9.987 1.00 0.00 H new ATOM 0 HB3 PHE A 41 1.342 -0.953 -11.291 1.00 0.00 H new ATOM 0 HD1 PHE A 41 1.530 -4.219 -9.504 1.00 0.00 H new ATOM 0 HD2 PHE A 41 2.364 -2.071 -13.086 1.00 0.00 H new ATOM 0 HE1 PHE A 41 2.136 -6.322 -10.621 1.00 0.00 H new ATOM 0 HE2 PHE A 41 2.970 -4.172 -14.207 1.00 0.00 H new ATOM 0 HZ PHE A 41 2.862 -6.300 -12.974 1.00 0.00 H new ATOM 627 N THR A 42 3.313 1.107 -9.779 1.00 0.00 N ATOM 628 CA THR A 42 3.227 2.549 -9.584 1.00 0.00 C ATOM 629 C THR A 42 2.461 3.213 -10.722 1.00 0.00 C ATOM 630 O THR A 42 3.007 3.443 -11.801 1.00 0.00 O ATOM 631 CB THR A 42 4.626 3.186 -9.482 1.00 0.00 C ATOM 632 OG1 THR A 42 5.369 2.569 -8.425 1.00 0.00 O ATOM 633 CG2 THR A 42 4.521 4.683 -9.229 1.00 0.00 C ATOM 0 H THR A 42 4.129 0.801 -10.309 1.00 0.00 H new ATOM 0 HA THR A 42 2.693 2.710 -8.648 1.00 0.00 H new ATOM 0 HB THR A 42 5.143 3.029 -10.428 1.00 0.00 H new ATOM 0 HG1 THR A 42 5.883 3.251 -7.945 1.00 0.00 H new ATOM 0 HG21 THR A 42 5.521 5.111 -9.161 1.00 0.00 H new ATOM 0 HG22 THR A 42 3.980 5.154 -10.050 1.00 0.00 H new ATOM 0 HG23 THR A 42 3.987 4.858 -8.295 1.00 0.00 H new ATOM 641 N PHE A 43 1.192 3.520 -10.474 1.00 0.00 N ATOM 642 CA PHE A 43 0.349 4.159 -11.479 1.00 0.00 C ATOM 643 C PHE A 43 0.377 5.677 -11.327 1.00 0.00 C ATOM 644 O PHE A 43 0.074 6.210 -10.259 1.00 0.00 O ATOM 645 CB PHE A 43 -1.089 3.649 -11.367 1.00 0.00 C ATOM 646 CG PHE A 43 -1.360 2.430 -12.201 1.00 0.00 C ATOM 647 CD1 PHE A 43 -1.518 2.535 -13.574 1.00 0.00 C ATOM 648 CD2 PHE A 43 -1.456 1.179 -11.613 1.00 0.00 C ATOM 649 CE1 PHE A 43 -1.768 1.415 -14.344 1.00 0.00 C ATOM 650 CE2 PHE A 43 -1.706 0.055 -12.378 1.00 0.00 C ATOM 651 CZ PHE A 43 -1.861 0.173 -13.745 1.00 0.00 C ATOM 0 H PHE A 43 0.725 3.337 -9.586 1.00 0.00 H new ATOM 0 HA PHE A 43 0.742 3.904 -12.463 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -1.305 3.420 -10.323 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -1.772 4.444 -11.667 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -1.445 3.503 -14.047 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -1.334 1.081 -10.544 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -1.891 1.510 -15.413 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -1.780 -0.914 -11.907 1.00 0.00 H new ATOM 0 HZ PHE A 43 -2.055 -0.704 -14.345 1.00 0.00 H new ATOM 661 N ARG A 44 0.742 6.366 -12.402 1.00 0.00 N ATOM 662 CA ARG A 44 0.810 7.823 -12.389 1.00 0.00 C ATOM 663 C ARG A 44 -0.462 8.433 -12.969 1.00 0.00 C ATOM 664 O ARG A 44 -0.937 8.017 -14.026 1.00 0.00 O ATOM 665 CB ARG A 44 2.027 8.304 -13.182 1.00 0.00 C ATOM 666 CG ARG A 44 2.313 9.788 -13.017 1.00 0.00 C ATOM 667 CD ARG A 44 1.600 10.614 -14.077 1.00 0.00 C ATOM 668 NE ARG A 44 2.341 11.825 -14.417 1.00 0.00 N ATOM 669 CZ ARG A 44 3.318 11.860 -15.317 1.00 0.00 C ATOM 670 NH1 ARG A 44 3.668 10.757 -15.964 1.00 0.00 N ATOM 671 NH2 ARG A 44 3.946 13.001 -15.572 1.00 0.00 N ATOM 0 H ARG A 44 0.995 5.940 -13.293 1.00 0.00 H new ATOM 0 HA ARG A 44 0.907 8.148 -11.353 1.00 0.00 H new ATOM 0 HB2 ARG A 44 2.903 7.737 -12.867 1.00 0.00 H new ATOM 0 HB3 ARG A 44 1.870 8.088 -14.239 1.00 0.00 H new ATOM 0 HG2 ARG A 44 1.995 10.113 -12.026 1.00 0.00 H new ATOM 0 HG3 ARG A 44 3.387 9.962 -13.080 1.00 0.00 H new ATOM 0 HD2 ARG A 44 1.461 10.010 -14.974 1.00 0.00 H new ATOM 0 HD3 ARG A 44 0.607 10.885 -13.718 1.00 0.00 H new ATOM 0 HE ARG A 44 2.095 12.691 -13.938 1.00 0.00 H new ATOM 0 HH11 ARG A 44 3.187 9.878 -15.771 1.00 0.00 H new ATOM 0 HH12 ARG A 44 4.418 10.787 -16.654 1.00 0.00 H new ATOM 0 HH21 ARG A 44 3.679 13.852 -15.077 1.00 0.00 H new ATOM 0 HH22 ARG A 44 4.696 13.027 -16.263 1.00 0.00 H new ATOM 685 N VAL A 45 -1.011 9.421 -12.269 1.00 0.00 N ATOM 686 CA VAL A 45 -2.228 10.089 -12.714 1.00 0.00 C ATOM 687 C VAL A 45 -1.960 11.550 -13.055 1.00 0.00 C ATOM 688 O VAL A 45 -1.510 12.325 -12.210 1.00 0.00 O ATOM 689 CB VAL A 45 -3.332 10.017 -11.642 1.00 0.00 C ATOM 690 CG1 VAL A 45 -3.124 11.095 -10.589 1.00 0.00 C ATOM 691 CG2 VAL A 45 -4.705 10.144 -12.282 1.00 0.00 C ATOM 0 H VAL A 45 -0.632 9.776 -11.391 1.00 0.00 H new ATOM 0 HA VAL A 45 -2.566 9.567 -13.609 1.00 0.00 H new ATOM 0 HB VAL A 45 -3.274 9.046 -11.150 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -3.913 11.029 -9.840 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -2.156 10.953 -10.109 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -3.154 12.076 -11.062 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -5.473 10.091 -11.510 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -4.778 11.100 -12.801 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -4.851 9.332 -12.995 1.00 0.00 H new ATOM 701 N THR A 46 -2.240 11.923 -14.300 1.00 0.00 N ATOM 702 CA THR A 46 -2.028 13.291 -14.754 1.00 0.00 C ATOM 703 C THR A 46 -3.334 13.922 -15.225 1.00 0.00 C ATOM 704 O THR A 46 -3.864 13.564 -16.277 1.00 0.00 O ATOM 705 CB THR A 46 -1.000 13.351 -15.900 1.00 0.00 C ATOM 706 OG1 THR A 46 0.219 12.717 -15.497 1.00 0.00 O ATOM 707 CG2 THR A 46 -0.721 14.791 -16.302 1.00 0.00 C ATOM 0 H THR A 46 -2.614 11.296 -15.012 1.00 0.00 H new ATOM 0 HA THR A 46 -1.643 13.850 -13.901 1.00 0.00 H new ATOM 0 HB THR A 46 -1.415 12.825 -16.760 1.00 0.00 H new ATOM 0 HG1 THR A 46 0.867 12.757 -16.231 1.00 0.00 H new ATOM 0 HG21 THR A 46 0.008 14.808 -17.113 1.00 0.00 H new ATOM 0 HG22 THR A 46 -1.646 15.261 -16.636 1.00 0.00 H new ATOM 0 HG23 THR A 46 -0.324 15.337 -15.446 1.00 0.00 H new ATOM 715 N VAL A 47 -3.847 14.864 -14.440 1.00 0.00 N ATOM 716 CA VAL A 47 -5.090 15.547 -14.778 1.00 0.00 C ATOM 717 C VAL A 47 -4.878 17.052 -14.889 1.00 0.00 C ATOM 718 O VAL A 47 -4.684 17.738 -13.887 1.00 0.00 O ATOM 719 CB VAL A 47 -6.185 15.270 -13.730 1.00 0.00 C ATOM 720 CG1 VAL A 47 -7.449 16.051 -14.059 1.00 0.00 C ATOM 721 CG2 VAL A 47 -6.476 13.779 -13.646 1.00 0.00 C ATOM 0 H VAL A 47 -3.421 15.172 -13.566 1.00 0.00 H new ATOM 0 HA VAL A 47 -5.413 15.157 -15.743 1.00 0.00 H new ATOM 0 HB VAL A 47 -5.825 15.602 -12.756 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -8.211 15.843 -13.308 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -7.226 17.118 -14.064 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -7.816 15.752 -15.041 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -7.252 13.601 -12.901 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -6.816 13.419 -14.617 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -5.569 13.247 -13.359 1.00 0.00 H new ATOM 731 N GLY A 48 -4.917 17.561 -16.117 1.00 0.00 N ATOM 732 CA GLY A 48 -4.727 18.982 -16.338 1.00 0.00 C ATOM 733 C GLY A 48 -3.362 19.462 -15.887 1.00 0.00 C ATOM 734 O GLY A 48 -2.397 19.418 -16.650 1.00 0.00 O ATOM 0 H GLY A 48 -5.077 17.014 -16.963 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -4.854 19.202 -17.398 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -5.498 19.536 -15.803 1.00 0.00 H new ATOM 738 N ASP A 49 -3.280 19.923 -14.644 1.00 0.00 N ATOM 739 CA ASP A 49 -2.022 20.414 -14.092 1.00 0.00 C ATOM 740 C ASP A 49 -1.600 19.587 -12.882 1.00 0.00 C ATOM 741 O ASP A 49 -0.455 19.664 -12.434 1.00 0.00 O ATOM 742 CB ASP A 49 -2.154 21.886 -13.698 1.00 0.00 C ATOM 743 CG ASP A 49 -2.797 22.722 -14.787 1.00 0.00 C ATOM 744 OD1 ASP A 49 -4.032 22.640 -14.946 1.00 0.00 O ATOM 745 OD2 ASP A 49 -2.064 23.458 -15.481 1.00 0.00 O ATOM 0 H ASP A 49 -4.069 19.967 -13.999 1.00 0.00 H new ATOM 0 HA ASP A 49 -1.255 20.319 -14.860 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -2.747 21.963 -12.787 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -1.167 22.288 -13.471 1.00 0.00 H new ATOM 750 N ILE A 50 -2.530 18.796 -12.358 1.00 0.00 N ATOM 751 CA ILE A 50 -2.254 17.955 -11.201 1.00 0.00 C ATOM 752 C ILE A 50 -1.686 16.605 -11.625 1.00 0.00 C ATOM 753 O ILE A 50 -2.228 15.941 -12.510 1.00 0.00 O ATOM 754 CB ILE A 50 -3.522 17.724 -10.357 1.00 0.00 C ATOM 755 CG1 ILE A 50 -4.178 19.060 -10.006 1.00 0.00 C ATOM 756 CG2 ILE A 50 -3.183 16.945 -9.094 1.00 0.00 C ATOM 757 CD1 ILE A 50 -5.669 18.959 -9.772 1.00 0.00 C ATOM 0 H ILE A 50 -3.482 18.720 -12.717 1.00 0.00 H new ATOM 0 HA ILE A 50 -1.516 18.483 -10.597 1.00 0.00 H new ATOM 0 HB ILE A 50 -4.229 17.137 -10.943 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -3.705 19.464 -9.111 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -3.992 19.769 -10.812 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -4.089 16.790 -8.508 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -2.756 15.979 -9.366 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -2.460 17.507 -8.503 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -6.067 19.944 -9.528 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -6.154 18.585 -10.674 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -5.862 18.275 -8.946 1.00 0.00 H new ATOM 769 N THR A 51 -0.591 16.202 -10.988 1.00 0.00 N ATOM 770 CA THR A 51 0.050 14.931 -11.299 1.00 0.00 C ATOM 771 C THR A 51 0.409 14.171 -10.027 1.00 0.00 C ATOM 772 O THR A 51 1.232 14.626 -9.232 1.00 0.00 O ATOM 773 CB THR A 51 1.326 15.136 -12.138 1.00 0.00 C ATOM 774 OG1 THR A 51 0.979 15.370 -13.507 1.00 0.00 O ATOM 775 CG2 THR A 51 2.238 13.922 -12.041 1.00 0.00 C ATOM 0 H THR A 51 -0.130 16.738 -10.253 1.00 0.00 H new ATOM 0 HA THR A 51 -0.667 14.348 -11.877 1.00 0.00 H new ATOM 0 HB THR A 51 1.858 16.002 -11.745 1.00 0.00 H new ATOM 0 HG1 THR A 51 1.795 15.501 -14.034 1.00 0.00 H new ATOM 0 HG21 THR A 51 3.132 14.090 -12.641 1.00 0.00 H new ATOM 0 HG22 THR A 51 2.524 13.764 -11.001 1.00 0.00 H new ATOM 0 HG23 THR A 51 1.712 13.042 -12.411 1.00 0.00 H new ATOM 783 N CYS A 52 -0.213 13.012 -9.841 1.00 0.00 N ATOM 784 CA CYS A 52 0.041 12.188 -8.664 1.00 0.00 C ATOM 785 C CYS A 52 0.483 10.786 -9.068 1.00 0.00 C ATOM 786 O CYS A 52 0.601 10.477 -10.255 1.00 0.00 O ATOM 787 CB CYS A 52 -1.212 12.109 -7.791 1.00 0.00 C ATOM 788 SG CYS A 52 -1.684 13.681 -7.033 1.00 0.00 S ATOM 0 H CYS A 52 -0.897 12.622 -10.490 1.00 0.00 H new ATOM 0 HA CYS A 52 0.844 12.652 -8.092 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -2.042 11.747 -8.398 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -1.047 11.373 -7.004 1.00 0.00 H new ATOM 0 HG CYS A 52 -1.676 13.559 -5.739 1.00 0.00 H new ATOM 794 N THR A 53 0.729 9.939 -8.073 1.00 0.00 N ATOM 795 CA THR A 53 1.162 8.570 -8.324 1.00 0.00 C ATOM 796 C THR A 53 0.719 7.639 -7.201 1.00 0.00 C ATOM 797 O THR A 53 0.657 8.038 -6.039 1.00 0.00 O ATOM 798 CB THR A 53 2.693 8.483 -8.474 1.00 0.00 C ATOM 799 OG1 THR A 53 3.320 8.643 -7.197 1.00 0.00 O ATOM 800 CG2 THR A 53 3.204 9.547 -9.433 1.00 0.00 C ATOM 0 H THR A 53 0.636 10.177 -7.086 1.00 0.00 H new ATOM 0 HA THR A 53 0.695 8.257 -9.258 1.00 0.00 H new ATOM 0 HB THR A 53 2.941 7.502 -8.879 1.00 0.00 H new ATOM 0 HG1 THR A 53 4.293 8.585 -7.301 1.00 0.00 H new ATOM 0 HG21 THR A 53 4.287 9.466 -9.523 1.00 0.00 H new ATOM 0 HG22 THR A 53 2.747 9.404 -10.412 1.00 0.00 H new ATOM 0 HG23 THR A 53 2.945 10.535 -9.052 1.00 0.00 H new ATOM 808 N GLY A 54 0.412 6.395 -7.556 1.00 0.00 N ATOM 809 CA GLY A 54 -0.020 5.426 -6.566 1.00 0.00 C ATOM 810 C GLY A 54 0.928 4.249 -6.453 1.00 0.00 C ATOM 811 O GLY A 54 0.849 3.303 -7.236 1.00 0.00 O ATOM 0 H GLY A 54 0.455 6.041 -8.512 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -0.103 5.915 -5.596 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -1.014 5.064 -6.827 1.00 0.00 H new ATOM 815 N GLU A 55 1.828 4.308 -5.477 1.00 0.00 N ATOM 816 CA GLU A 55 2.798 3.239 -5.267 1.00 0.00 C ATOM 817 C GLU A 55 2.501 2.481 -3.976 1.00 0.00 C ATOM 818 O GLU A 55 2.223 3.083 -2.940 1.00 0.00 O ATOM 819 CB GLU A 55 4.217 3.809 -5.222 1.00 0.00 C ATOM 820 CG GLU A 55 5.300 2.743 -5.193 1.00 0.00 C ATOM 821 CD GLU A 55 6.666 3.289 -5.562 1.00 0.00 C ATOM 822 OE1 GLU A 55 6.777 3.945 -6.618 1.00 0.00 O ATOM 823 OE2 GLU A 55 7.623 3.060 -4.793 1.00 0.00 O ATOM 0 H GLU A 55 1.906 5.084 -4.819 1.00 0.00 H new ATOM 0 HA GLU A 55 2.720 2.543 -6.103 1.00 0.00 H new ATOM 0 HB2 GLU A 55 4.371 4.448 -6.092 1.00 0.00 H new ATOM 0 HB3 GLU A 55 4.318 4.442 -4.340 1.00 0.00 H new ATOM 0 HG2 GLU A 55 5.346 2.304 -4.197 1.00 0.00 H new ATOM 0 HG3 GLU A 55 5.035 1.942 -5.883 1.00 0.00 H new ATOM 830 N GLY A 56 2.561 1.155 -4.048 1.00 0.00 N ATOM 831 CA GLY A 56 2.296 0.336 -2.880 1.00 0.00 C ATOM 832 C GLY A 56 1.731 -1.024 -3.241 1.00 0.00 C ATOM 833 O GLY A 56 2.169 -2.047 -2.713 1.00 0.00 O ATOM 0 H GLY A 56 2.788 0.633 -4.894 1.00 0.00 H new ATOM 0 HA2 GLY A 56 3.219 0.204 -2.316 1.00 0.00 H new ATOM 0 HA3 GLY A 56 1.595 0.856 -2.227 1.00 0.00 H new ATOM 837 N THR A 57 0.754 -1.037 -4.143 1.00 0.00 N ATOM 838 CA THR A 57 0.126 -2.280 -4.572 1.00 0.00 C ATOM 839 C THR A 57 -0.027 -2.324 -6.088 1.00 0.00 C ATOM 840 O THR A 57 0.389 -1.403 -6.790 1.00 0.00 O ATOM 841 CB THR A 57 -1.258 -2.464 -3.921 1.00 0.00 C ATOM 842 OG1 THR A 57 -1.290 -1.814 -2.646 1.00 0.00 O ATOM 843 CG2 THR A 57 -1.584 -3.940 -3.752 1.00 0.00 C ATOM 0 H THR A 57 0.381 -0.200 -4.590 1.00 0.00 H new ATOM 0 HA THR A 57 0.780 -3.091 -4.252 1.00 0.00 H new ATOM 0 HB THR A 57 -2.006 -2.016 -4.575 1.00 0.00 H new ATOM 0 HG1 THR A 57 -1.419 -2.482 -1.941 1.00 0.00 H new ATOM 0 HG21 THR A 57 -2.566 -4.045 -3.290 1.00 0.00 H new ATOM 0 HG22 THR A 57 -1.588 -4.426 -4.728 1.00 0.00 H new ATOM 0 HG23 THR A 57 -0.832 -4.408 -3.117 1.00 0.00 H new ATOM 851 N SER A 58 -0.629 -3.399 -6.586 1.00 0.00 N ATOM 852 CA SER A 58 -0.835 -3.564 -8.020 1.00 0.00 C ATOM 853 C SER A 58 -2.130 -2.890 -8.464 1.00 0.00 C ATOM 854 O SER A 58 -2.838 -2.287 -7.657 1.00 0.00 O ATOM 855 CB SER A 58 -0.869 -5.049 -8.385 1.00 0.00 C ATOM 856 OG SER A 58 -2.108 -5.635 -8.025 1.00 0.00 O ATOM 0 H SER A 58 -0.983 -4.169 -6.018 1.00 0.00 H new ATOM 0 HA SER A 58 -0.002 -3.089 -8.538 1.00 0.00 H new ATOM 0 HB2 SER A 58 -0.705 -5.167 -9.456 1.00 0.00 H new ATOM 0 HB3 SER A 58 -0.056 -5.570 -7.879 1.00 0.00 H new ATOM 0 HG SER A 58 -2.105 -6.584 -8.270 1.00 0.00 H new ATOM 862 N LYS A 59 -2.434 -2.998 -9.753 1.00 0.00 N ATOM 863 CA LYS A 59 -3.644 -2.401 -10.307 1.00 0.00 C ATOM 864 C LYS A 59 -4.794 -2.476 -9.307 1.00 0.00 C ATOM 865 O LYS A 59 -5.681 -1.622 -9.302 1.00 0.00 O ATOM 866 CB LYS A 59 -4.037 -3.108 -11.606 1.00 0.00 C ATOM 867 CG LYS A 59 -2.987 -3.003 -12.698 1.00 0.00 C ATOM 868 CD LYS A 59 -3.013 -4.213 -13.616 1.00 0.00 C ATOM 869 CE LYS A 59 -2.087 -5.312 -13.116 1.00 0.00 C ATOM 870 NZ LYS A 59 -2.248 -6.570 -13.896 1.00 0.00 N ATOM 0 H LYS A 59 -1.859 -3.494 -10.434 1.00 0.00 H new ATOM 0 HA LYS A 59 -3.438 -1.352 -10.519 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -4.225 -4.161 -11.394 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -4.973 -2.685 -11.971 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -3.158 -2.099 -13.282 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -1.999 -2.909 -12.246 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -4.031 -4.597 -13.685 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -2.716 -3.915 -14.621 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -1.053 -4.974 -13.182 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -2.292 -5.508 -12.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -1.600 -7.294 -13.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -3.228 -6.907 -13.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -2.028 -6.389 -14.896 1.00 0.00 H new ATOM 884 N LYS A 60 -4.771 -3.500 -8.461 1.00 0.00 N ATOM 885 CA LYS A 60 -5.810 -3.684 -7.454 1.00 0.00 C ATOM 886 C LYS A 60 -6.014 -2.409 -6.644 1.00 0.00 C ATOM 887 O LYS A 60 -7.030 -1.726 -6.787 1.00 0.00 O ATOM 888 CB LYS A 60 -5.444 -4.841 -6.521 1.00 0.00 C ATOM 889 CG LYS A 60 -6.651 -5.579 -5.966 1.00 0.00 C ATOM 890 CD LYS A 60 -7.372 -4.754 -4.913 1.00 0.00 C ATOM 891 CE LYS A 60 -6.716 -4.896 -3.548 1.00 0.00 C ATOM 892 NZ LYS A 60 -5.464 -4.097 -3.448 1.00 0.00 N ATOM 0 H LYS A 60 -4.044 -4.216 -8.452 1.00 0.00 H new ATOM 0 HA LYS A 60 -6.742 -3.920 -7.968 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -4.814 -5.547 -7.061 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -4.852 -4.455 -5.692 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -7.339 -5.816 -6.778 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -6.332 -6.526 -5.532 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -7.374 -3.705 -5.210 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -8.413 -5.070 -4.852 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -7.414 -4.575 -2.775 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -6.492 -5.946 -3.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -5.383 -3.697 -2.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -4.645 -4.710 -3.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -5.488 -3.326 -4.145 1.00 0.00 H new ATOM 906 N LEU A 61 -5.044 -2.092 -5.793 1.00 0.00 N ATOM 907 CA LEU A 61 -5.117 -0.896 -4.960 1.00 0.00 C ATOM 908 C LEU A 61 -4.408 0.277 -5.628 1.00 0.00 C ATOM 909 O LEU A 61 -4.979 1.356 -5.781 1.00 0.00 O ATOM 910 CB LEU A 61 -4.498 -1.168 -3.589 1.00 0.00 C ATOM 911 CG LEU A 61 -3.830 0.026 -2.905 1.00 0.00 C ATOM 912 CD1 LEU A 61 -4.679 1.277 -3.067 1.00 0.00 C ATOM 913 CD2 LEU A 61 -3.588 -0.269 -1.432 1.00 0.00 C ATOM 0 H LEU A 61 -4.198 -2.646 -5.662 1.00 0.00 H new ATOM 0 HA LEU A 61 -6.168 -0.635 -4.832 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -5.278 -1.549 -2.930 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -3.757 -1.960 -3.698 1.00 0.00 H new ATOM 0 HG LEU A 61 -2.866 0.201 -3.383 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -4.188 2.116 -2.574 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -4.801 1.499 -4.127 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -5.658 1.113 -2.616 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -3.112 0.592 -0.962 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -4.540 -0.471 -0.940 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -2.939 -1.139 -1.337 1.00 0.00 H new ATOM 925 N ALA A 62 -3.159 0.057 -6.027 1.00 0.00 N ATOM 926 CA ALA A 62 -2.373 1.095 -6.683 1.00 0.00 C ATOM 927 C ALA A 62 -3.260 2.011 -7.518 1.00 0.00 C ATOM 928 O ALA A 62 -3.204 3.234 -7.389 1.00 0.00 O ATOM 929 CB ALA A 62 -1.292 0.468 -7.551 1.00 0.00 C ATOM 0 H ALA A 62 -2.670 -0.830 -5.907 1.00 0.00 H new ATOM 0 HA ALA A 62 -1.898 1.700 -5.910 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -0.713 1.254 -8.035 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -0.633 -0.139 -6.930 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -1.755 -0.161 -8.311 1.00 0.00 H new ATOM 935 N LYS A 63 -4.080 1.412 -8.376 1.00 0.00 N ATOM 936 CA LYS A 63 -4.980 2.173 -9.233 1.00 0.00 C ATOM 937 C LYS A 63 -5.922 3.038 -8.401 1.00 0.00 C ATOM 938 O LYS A 63 -5.961 4.259 -8.556 1.00 0.00 O ATOM 939 CB LYS A 63 -5.791 1.228 -10.123 1.00 0.00 C ATOM 940 CG LYS A 63 -6.183 1.837 -11.458 1.00 0.00 C ATOM 941 CD LYS A 63 -5.117 1.599 -12.514 1.00 0.00 C ATOM 942 CE LYS A 63 -5.543 2.143 -13.869 1.00 0.00 C ATOM 943 NZ LYS A 63 -6.463 1.211 -14.577 1.00 0.00 N ATOM 0 H LYS A 63 -4.139 0.401 -8.496 1.00 0.00 H new ATOM 0 HA LYS A 63 -4.376 2.826 -9.863 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -5.210 0.323 -10.302 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -6.694 0.927 -9.591 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -7.128 1.408 -11.791 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.344 2.908 -11.337 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -4.186 2.075 -12.206 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -4.917 0.531 -12.596 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -6.035 3.107 -13.735 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -4.660 2.318 -14.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -6.730 1.618 -15.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -5.985 0.300 -14.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -7.317 1.063 -14.003 1.00 0.00 H new ATOM 957 N HIS A 64 -6.680 2.397 -7.516 1.00 0.00 N ATOM 958 CA HIS A 64 -7.620 3.108 -6.658 1.00 0.00 C ATOM 959 C HIS A 64 -6.975 4.356 -6.062 1.00 0.00 C ATOM 960 O HIS A 64 -7.531 5.452 -6.142 1.00 0.00 O ATOM 961 CB HIS A 64 -8.115 2.192 -5.538 1.00 0.00 C ATOM 962 CG HIS A 64 -9.526 2.467 -5.118 1.00 0.00 C ATOM 963 ND1 HIS A 64 -10.623 1.974 -5.794 1.00 0.00 N ATOM 964 CD2 HIS A 64 -10.017 3.189 -4.084 1.00 0.00 C ATOM 965 CE1 HIS A 64 -11.727 2.381 -5.194 1.00 0.00 C ATOM 966 NE2 HIS A 64 -11.387 3.120 -4.153 1.00 0.00 N ATOM 0 H HIS A 64 -6.661 1.387 -7.375 1.00 0.00 H new ATOM 0 HA HIS A 64 -8.469 3.415 -7.268 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -8.038 1.156 -5.867 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -7.460 2.302 -4.674 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -9.439 3.721 -3.343 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -12.736 2.149 -5.502 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -12.036 3.567 -3.506 1.00 0.00 H new ATOM 974 N ARG A 65 -5.801 4.182 -5.464 1.00 0.00 N ATOM 975 CA ARG A 65 -5.082 5.293 -4.854 1.00 0.00 C ATOM 976 C ARG A 65 -4.721 6.346 -5.897 1.00 0.00 C ATOM 977 O ARG A 65 -4.912 7.542 -5.678 1.00 0.00 O ATOM 978 CB ARG A 65 -3.814 4.789 -4.162 1.00 0.00 C ATOM 979 CG ARG A 65 -4.025 4.409 -2.705 1.00 0.00 C ATOM 980 CD ARG A 65 -2.783 3.764 -2.112 1.00 0.00 C ATOM 981 NE ARG A 65 -2.667 4.013 -0.678 1.00 0.00 N ATOM 982 CZ ARG A 65 -2.263 5.169 -0.164 1.00 0.00 C ATOM 983 NH1 ARG A 65 -1.937 6.176 -0.962 1.00 0.00 N ATOM 984 NH2 ARG A 65 -2.184 5.320 1.152 1.00 0.00 N ATOM 0 H ARG A 65 -5.328 3.282 -5.389 1.00 0.00 H new ATOM 0 HA ARG A 65 -5.735 5.752 -4.112 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -3.435 3.922 -4.703 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -3.047 5.561 -4.220 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -4.284 5.298 -2.130 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -4.867 3.721 -2.626 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -2.812 2.689 -2.292 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -1.898 4.148 -2.619 1.00 0.00 H new ATOM 0 HE ARG A 65 -2.909 3.258 -0.036 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -1.996 6.064 -1.974 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -1.627 7.063 -0.564 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -2.434 4.548 1.770 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -1.874 6.208 1.546 1.00 0.00 H new ATOM 998 N ALA A 66 -4.198 5.892 -7.032 1.00 0.00 N ATOM 999 CA ALA A 66 -3.811 6.794 -8.109 1.00 0.00 C ATOM 1000 C ALA A 66 -4.928 7.783 -8.425 1.00 0.00 C ATOM 1001 O ALA A 66 -4.712 8.994 -8.441 1.00 0.00 O ATOM 1002 CB ALA A 66 -3.439 6.002 -9.353 1.00 0.00 C ATOM 0 H ALA A 66 -4.033 4.905 -7.229 1.00 0.00 H new ATOM 0 HA ALA A 66 -2.941 7.361 -7.779 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -3.152 6.689 -10.149 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -2.603 5.340 -9.126 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -4.295 5.409 -9.676 1.00 0.00 H new ATOM 1008 N ALA A 67 -6.124 7.258 -8.675 1.00 0.00 N ATOM 1009 CA ALA A 67 -7.275 8.095 -8.989 1.00 0.00 C ATOM 1010 C ALA A 67 -7.667 8.960 -7.795 1.00 0.00 C ATOM 1011 O ALA A 67 -7.977 10.141 -7.949 1.00 0.00 O ATOM 1012 CB ALA A 67 -8.450 7.234 -9.427 1.00 0.00 C ATOM 0 H ALA A 67 -6.320 6.257 -8.666 1.00 0.00 H new ATOM 0 HA ALA A 67 -6.998 8.757 -9.809 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -9.303 7.872 -9.658 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -8.173 6.664 -10.314 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -8.718 6.548 -8.623 1.00 0.00 H new ATOM 1018 N GLU A 68 -7.650 8.363 -6.607 1.00 0.00 N ATOM 1019 CA GLU A 68 -8.006 9.080 -5.388 1.00 0.00 C ATOM 1020 C GLU A 68 -7.161 10.341 -5.233 1.00 0.00 C ATOM 1021 O GLU A 68 -7.691 11.440 -5.070 1.00 0.00 O ATOM 1022 CB GLU A 68 -7.823 8.177 -4.167 1.00 0.00 C ATOM 1023 CG GLU A 68 -9.088 7.439 -3.760 1.00 0.00 C ATOM 1024 CD GLU A 68 -9.914 8.212 -2.750 1.00 0.00 C ATOM 1025 OE1 GLU A 68 -9.598 8.139 -1.545 1.00 0.00 O ATOM 1026 OE2 GLU A 68 -10.877 8.889 -3.166 1.00 0.00 O ATOM 0 H GLU A 68 -7.394 7.386 -6.463 1.00 0.00 H new ATOM 0 HA GLU A 68 -9.054 9.372 -5.461 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -7.040 7.449 -4.378 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -7.479 8.781 -3.327 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -9.692 7.245 -4.646 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -8.820 6.470 -3.339 1.00 0.00 H new ATOM 1033 N ALA A 69 -5.844 10.174 -5.283 1.00 0.00 N ATOM 1034 CA ALA A 69 -4.925 11.298 -5.150 1.00 0.00 C ATOM 1035 C ALA A 69 -5.470 12.538 -5.849 1.00 0.00 C ATOM 1036 O ALA A 69 -5.758 13.548 -5.207 1.00 0.00 O ATOM 1037 CB ALA A 69 -3.558 10.931 -5.709 1.00 0.00 C ATOM 0 H ALA A 69 -5.389 9.271 -5.415 1.00 0.00 H new ATOM 0 HA ALA A 69 -4.821 11.528 -4.090 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -2.882 11.779 -5.603 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -3.158 10.078 -5.161 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -3.654 10.673 -6.764 1.00 0.00 H new ATOM 1043 N ALA A 70 -5.609 12.456 -7.168 1.00 0.00 N ATOM 1044 CA ALA A 70 -6.120 13.571 -7.954 1.00 0.00 C ATOM 1045 C ALA A 70 -7.389 14.145 -7.332 1.00 0.00 C ATOM 1046 O ALA A 70 -7.438 15.320 -6.970 1.00 0.00 O ATOM 1047 CB ALA A 70 -6.384 13.131 -9.386 1.00 0.00 C ATOM 0 H ALA A 70 -5.374 11.628 -7.715 1.00 0.00 H new ATOM 0 HA ALA A 70 -5.363 14.355 -7.961 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -6.765 13.975 -9.961 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -5.456 12.776 -9.834 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -7.120 12.327 -9.390 1.00 0.00 H new ATOM 1053 N ILE A 71 -8.414 13.307 -7.212 1.00 0.00 N ATOM 1054 CA ILE A 71 -9.683 13.732 -6.634 1.00 0.00 C ATOM 1055 C ILE A 71 -9.461 14.652 -5.438 1.00 0.00 C ATOM 1056 O ILE A 71 -9.808 15.832 -5.478 1.00 0.00 O ATOM 1057 CB ILE A 71 -10.530 12.525 -6.188 1.00 0.00 C ATOM 1058 CG1 ILE A 71 -10.779 11.585 -7.370 1.00 0.00 C ATOM 1059 CG2 ILE A 71 -11.848 12.995 -5.591 1.00 0.00 C ATOM 1060 CD1 ILE A 71 -11.512 10.318 -6.989 1.00 0.00 C ATOM 0 H ILE A 71 -8.390 12.331 -7.507 1.00 0.00 H new ATOM 0 HA ILE A 71 -10.219 14.275 -7.413 1.00 0.00 H new ATOM 0 HB ILE A 71 -9.981 11.977 -5.422 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -11.355 12.114 -8.130 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -9.823 11.320 -7.821 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -12.435 12.131 -5.281 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -11.650 13.629 -4.727 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -12.404 13.562 -6.338 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -11.654 9.699 -7.875 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -10.928 9.767 -6.252 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -12.483 10.573 -6.565 1.00 0.00 H new ATOM 1072 N ASN A 72 -8.879 14.104 -4.376 1.00 0.00 N ATOM 1073 CA ASN A 72 -8.610 14.877 -3.169 1.00 0.00 C ATOM 1074 C ASN A 72 -8.131 16.283 -3.518 1.00 0.00 C ATOM 1075 O ASN A 72 -8.469 17.251 -2.837 1.00 0.00 O ATOM 1076 CB ASN A 72 -7.562 14.168 -2.308 1.00 0.00 C ATOM 1077 CG ASN A 72 -8.184 13.203 -1.318 1.00 0.00 C ATOM 1078 OD1 ASN A 72 -9.352 13.339 -0.951 1.00 0.00 O ATOM 1079 ND2 ASN A 72 -7.405 12.222 -0.879 1.00 0.00 N ATOM 0 H ASN A 72 -8.585 13.129 -4.327 1.00 0.00 H new ATOM 0 HA ASN A 72 -9.539 14.959 -2.605 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -6.871 13.626 -2.954 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -6.976 14.912 -1.767 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -7.768 11.543 -0.211 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -6.443 12.148 -1.210 1.00 0.00 H new ATOM 1086 N ILE A 73 -7.345 16.386 -4.584 1.00 0.00 N ATOM 1087 CA ILE A 73 -6.821 17.673 -5.024 1.00 0.00 C ATOM 1088 C ILE A 73 -7.856 18.435 -5.845 1.00 0.00 C ATOM 1089 O ILE A 73 -7.954 19.660 -5.758 1.00 0.00 O ATOM 1090 CB ILE A 73 -5.541 17.503 -5.863 1.00 0.00 C ATOM 1091 CG1 ILE A 73 -4.429 16.882 -5.015 1.00 0.00 C ATOM 1092 CG2 ILE A 73 -5.097 18.844 -6.429 1.00 0.00 C ATOM 1093 CD1 ILE A 73 -3.426 16.088 -5.822 1.00 0.00 C ATOM 0 H ILE A 73 -7.057 15.594 -5.159 1.00 0.00 H new ATOM 0 HA ILE A 73 -6.583 18.241 -4.125 1.00 0.00 H new ATOM 0 HB ILE A 73 -5.755 16.833 -6.695 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -3.906 17.674 -4.479 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -4.876 16.231 -4.264 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -4.191 18.708 -7.020 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -5.885 19.251 -7.062 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -4.896 19.536 -5.611 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -2.667 15.677 -5.156 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -3.936 15.274 -6.337 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -2.951 16.740 -6.555 1.00 0.00 H new ATOM 1105 N LEU A 74 -8.627 17.703 -6.642 1.00 0.00 N ATOM 1106 CA LEU A 74 -9.657 18.310 -7.478 1.00 0.00 C ATOM 1107 C LEU A 74 -10.709 19.009 -6.624 1.00 0.00 C ATOM 1108 O LEU A 74 -11.256 20.041 -7.015 1.00 0.00 O ATOM 1109 CB LEU A 74 -10.320 17.247 -8.356 1.00 0.00 C ATOM 1110 CG LEU A 74 -9.630 16.950 -9.688 1.00 0.00 C ATOM 1111 CD1 LEU A 74 -8.118 16.969 -9.522 1.00 0.00 C ATOM 1112 CD2 LEU A 74 -10.092 15.610 -10.241 1.00 0.00 C ATOM 0 H LEU A 74 -8.558 16.689 -6.727 1.00 0.00 H new ATOM 0 HA LEU A 74 -9.181 19.054 -8.116 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -10.380 16.320 -7.786 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -11.343 17.561 -8.562 1.00 0.00 H new ATOM 0 HG LEU A 74 -9.906 17.728 -10.400 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -7.644 16.756 -10.480 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -7.803 17.952 -9.172 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -7.822 16.213 -8.795 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -9.591 15.415 -11.189 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -9.847 14.820 -9.532 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -11.170 15.634 -10.399 1.00 0.00 H new ATOM 1124 N LYS A 75 -10.988 18.443 -5.455 1.00 0.00 N ATOM 1125 CA LYS A 75 -11.972 19.013 -4.543 1.00 0.00 C ATOM 1126 C LYS A 75 -11.454 20.307 -3.924 1.00 0.00 C ATOM 1127 O LYS A 75 -12.022 21.378 -4.136 1.00 0.00 O ATOM 1128 CB LYS A 75 -12.317 18.010 -3.440 1.00 0.00 C ATOM 1129 CG LYS A 75 -12.701 16.637 -3.965 1.00 0.00 C ATOM 1130 CD LYS A 75 -12.403 15.548 -2.948 1.00 0.00 C ATOM 1131 CE LYS A 75 -13.549 15.379 -1.962 1.00 0.00 C ATOM 1132 NZ LYS A 75 -13.081 14.833 -0.657 1.00 0.00 N ATOM 0 H LYS A 75 -10.546 17.589 -5.116 1.00 0.00 H new ATOM 0 HA LYS A 75 -12.872 19.239 -5.115 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -11.461 17.908 -2.772 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -13.140 18.406 -2.845 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -13.763 16.625 -4.212 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -12.157 16.434 -4.887 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -12.224 14.605 -3.465 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -11.489 15.794 -2.407 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -14.034 16.342 -1.800 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -14.299 14.712 -2.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -13.891 14.732 -0.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -12.641 13.903 -0.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -12.384 15.482 -0.239 1.00 0.00 H new