USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 573 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 60 ASN : amide:sc= 0.305 K(o=-0.25,f=-2.9) USER MOD Set 1.2: A 62 GLN : amide:sc= -0.559! K(o=-0.25!,f=-1.6) USER MOD Single : A 1 MET CE :methyl 152:sc= -0.238 (180deg=-1.17) USER MOD Single : A 1 MET N :NH3+ 159:sc= -1.4 (180deg=-2!) USER MOD Single : A 2 GLN : amide:sc= -2.45 X(o=-2.5,f=-2.9!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 147:sc= -0.19 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -122:sc= 0.0433 USER MOD Single : A 20 SER OG : rot -44:sc= 0.00983 USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.0448 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 155:sc= -0.383 (180deg=-0.517) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.777 K(o=-0.78,f=-1.5) USER MOD Single : A 33 LYS NZ :NH3+ -113:sc= -0.403 (180deg=-1.1) USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 41 GLN : amide:sc= -1.54! C(o=-1.5!,f=-7.3!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.16 X(o=-0.16,f=-0.52) USER MOD Single : A 55 THR OG1 : rot 180:sc= -1.02 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 110:sc= -0.323 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 44:sc= 1.03 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.0455 X(o=-0.046,f=-0.014) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.274 -5.547 4.464 1.00 0.00 N ATOM 2 CA MET A 1 -12.428 -4.917 5.764 1.00 0.00 C ATOM 3 C MET A 1 -11.642 -3.606 5.835 1.00 0.00 C ATOM 4 O MET A 1 -11.132 -3.128 4.822 1.00 0.00 O ATOM 5 CB MET A 1 -11.932 -5.869 6.856 1.00 0.00 C ATOM 6 CG MET A 1 -10.426 -6.110 6.730 1.00 0.00 C ATOM 7 SD MET A 1 -9.917 -7.387 7.868 1.00 0.00 S ATOM 8 CE MET A 1 -10.729 -8.798 7.136 1.00 0.00 C ATOM 0 H1 MET A 1 -12.497 -6.560 4.540 1.00 0.00 H new ATOM 0 H2 MET A 1 -12.921 -5.100 3.783 1.00 0.00 H new ATOM 0 H3 MET A 1 -11.294 -5.432 4.137 1.00 0.00 H new ATOM 0 HA MET A 1 -13.484 -4.695 5.915 1.00 0.00 H new ATOM 0 HB2 MET A 1 -12.156 -5.451 7.837 1.00 0.00 H new ATOM 0 HB3 MET A 1 -12.463 -6.818 6.785 1.00 0.00 H new ATOM 0 HG2 MET A 1 -10.180 -6.402 5.709 1.00 0.00 H new ATOM 0 HG3 MET A 1 -9.883 -5.188 6.938 1.00 0.00 H new ATOM 0 HE1 MET A 1 -10.168 -9.703 7.370 1.00 0.00 H new ATOM 0 HE2 MET A 1 -11.740 -8.884 7.535 1.00 0.00 H new ATOM 0 HE3 MET A 1 -10.776 -8.670 6.055 1.00 0.00 H new ATOM 18 N GLN A 2 -11.567 -3.063 7.041 1.00 0.00 N ATOM 19 CA GLN A 2 -10.851 -1.816 7.257 1.00 0.00 C ATOM 20 C GLN A 2 -9.361 -2.090 7.470 1.00 0.00 C ATOM 21 O GLN A 2 -8.987 -3.140 7.989 1.00 0.00 O ATOM 22 CB GLN A 2 -11.441 -1.043 8.437 1.00 0.00 C ATOM 23 CG GLN A 2 -10.645 0.235 8.708 1.00 0.00 C ATOM 24 CD GLN A 2 -11.546 1.333 9.278 1.00 0.00 C ATOM 25 OE1 GLN A 2 -12.593 1.654 8.740 1.00 0.00 O ATOM 26 NE2 GLN A 2 -11.083 1.889 10.394 1.00 0.00 N ATOM 0 H GLN A 2 -11.990 -3.463 7.879 1.00 0.00 H new ATOM 0 HA GLN A 2 -10.963 -1.196 6.367 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -12.481 -0.791 8.228 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -11.439 -1.673 9.327 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -9.837 0.023 9.408 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -10.183 0.582 7.784 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -10.199 1.573 10.792 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -11.612 2.631 10.852 1.00 0.00 H new ATOM 35 N ILE A 3 -8.550 -1.126 7.059 1.00 0.00 N ATOM 36 CA ILE A 3 -7.109 -1.250 7.199 1.00 0.00 C ATOM 37 C ILE A 3 -6.512 0.124 7.511 1.00 0.00 C ATOM 38 O ILE A 3 -7.160 1.148 7.305 1.00 0.00 O ATOM 39 CB ILE A 3 -6.506 -1.916 5.960 1.00 0.00 C ATOM 40 CG1 ILE A 3 -7.001 -1.241 4.679 1.00 0.00 C ATOM 41 CG2 ILE A 3 -6.781 -3.421 5.959 1.00 0.00 C ATOM 42 CD1 ILE A 3 -6.160 -0.005 4.351 1.00 0.00 C ATOM 0 H ILE A 3 -8.863 -0.256 6.629 1.00 0.00 H new ATOM 0 HA ILE A 3 -6.862 -1.903 8.036 1.00 0.00 H new ATOM 0 HB ILE A 3 -5.424 -1.786 5.994 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -6.955 -1.947 3.850 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -8.046 -0.954 4.795 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -6.342 -3.870 5.068 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -6.340 -3.872 6.848 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -7.857 -3.594 5.960 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -6.532 0.456 3.436 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -6.228 0.710 5.171 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -5.120 -0.299 4.211 1.00 0.00 H new ATOM 54 N PHE A 4 -5.281 0.100 8.003 1.00 0.00 N ATOM 55 CA PHE A 4 -4.589 1.331 8.346 1.00 0.00 C ATOM 56 C PHE A 4 -3.323 1.500 7.504 1.00 0.00 C ATOM 57 O PHE A 4 -2.287 0.913 7.810 1.00 0.00 O ATOM 58 CB PHE A 4 -4.196 1.227 9.821 1.00 0.00 C ATOM 59 CG PHE A 4 -5.340 1.526 10.792 1.00 0.00 C ATOM 60 CD1 PHE A 4 -6.524 0.869 10.672 1.00 0.00 C ATOM 61 CD2 PHE A 4 -5.171 2.449 11.778 1.00 0.00 C ATOM 62 CE1 PHE A 4 -7.586 1.146 11.573 1.00 0.00 C ATOM 63 CE2 PHE A 4 -6.234 2.726 12.679 1.00 0.00 C ATOM 64 CZ PHE A 4 -7.417 2.069 12.558 1.00 0.00 C ATOM 0 H PHE A 4 -4.746 -0.752 8.172 1.00 0.00 H new ATOM 0 HA PHE A 4 -5.236 2.187 8.157 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -3.820 0.223 10.016 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -3.376 1.918 10.018 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -6.657 0.136 9.891 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -4.230 2.970 11.875 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -8.527 0.625 11.476 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -6.102 3.459 13.461 1.00 0.00 H new ATOM 0 HZ PHE A 4 -8.224 2.280 13.244 1.00 0.00 H new ATOM 74 N VAL A 5 -3.449 2.306 6.459 1.00 0.00 N ATOM 75 CA VAL A 5 -2.329 2.561 5.571 1.00 0.00 C ATOM 76 C VAL A 5 -1.475 3.693 6.145 1.00 0.00 C ATOM 77 O VAL A 5 -2.005 4.654 6.700 1.00 0.00 O ATOM 78 CB VAL A 5 -2.836 2.852 4.157 1.00 0.00 C ATOM 79 CG1 VAL A 5 -3.620 4.165 4.117 1.00 0.00 C ATOM 80 CG2 VAL A 5 -1.683 2.871 3.153 1.00 0.00 C ATOM 0 H VAL A 5 -4.311 2.791 6.208 1.00 0.00 H new ATOM 0 HA VAL A 5 -1.693 1.679 5.498 1.00 0.00 H new ATOM 0 HB VAL A 5 -3.514 2.047 3.872 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -3.970 4.349 3.101 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -4.476 4.098 4.789 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -2.974 4.984 4.433 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -2.072 3.080 2.156 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -0.969 3.645 3.434 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -1.185 1.901 3.152 1.00 0.00 H new ATOM 90 N LYS A 6 -0.168 3.542 5.992 1.00 0.00 N ATOM 91 CA LYS A 6 0.765 4.540 6.487 1.00 0.00 C ATOM 92 C LYS A 6 1.367 5.301 5.305 1.00 0.00 C ATOM 93 O LYS A 6 1.510 4.749 4.215 1.00 0.00 O ATOM 94 CB LYS A 6 1.809 3.893 7.399 1.00 0.00 C ATOM 95 CG LYS A 6 1.666 4.393 8.838 1.00 0.00 C ATOM 96 CD LYS A 6 0.912 3.378 9.699 1.00 0.00 C ATOM 97 CE LYS A 6 1.486 3.327 11.117 1.00 0.00 C ATOM 98 NZ LYS A 6 2.168 2.036 11.353 1.00 0.00 N ATOM 0 H LYS A 6 0.268 2.743 5.532 1.00 0.00 H new ATOM 0 HA LYS A 6 0.246 5.272 7.106 1.00 0.00 H new ATOM 0 HB2 LYS A 6 1.697 2.809 7.374 1.00 0.00 H new ATOM 0 HB3 LYS A 6 2.809 4.119 7.030 1.00 0.00 H new ATOM 0 HG2 LYS A 6 2.653 4.574 9.264 1.00 0.00 H new ATOM 0 HG3 LYS A 6 1.136 5.346 8.845 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -0.144 3.644 9.740 1.00 0.00 H new ATOM 0 HD3 LYS A 6 0.975 2.390 9.242 1.00 0.00 H new ATOM 0 HE2 LYS A 6 2.188 4.148 11.261 1.00 0.00 H new ATOM 0 HE3 LYS A 6 0.686 3.461 11.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 2.552 2.018 12.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 1.488 1.258 11.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 2.944 1.924 10.670 1.00 0.00 H new ATOM 112 N THR A 7 1.707 6.556 5.560 1.00 0.00 N ATOM 113 CA THR A 7 2.292 7.398 4.530 1.00 0.00 C ATOM 114 C THR A 7 3.811 7.464 4.695 1.00 0.00 C ATOM 115 O THR A 7 4.338 7.142 5.759 1.00 0.00 O ATOM 116 CB THR A 7 1.613 8.767 4.598 1.00 0.00 C ATOM 117 OG1 THR A 7 1.966 9.267 5.884 1.00 0.00 O ATOM 118 CG2 THR A 7 0.087 8.663 4.644 1.00 0.00 C ATOM 0 H THR A 7 1.588 7.010 6.465 1.00 0.00 H new ATOM 0 HA THR A 7 2.123 6.984 3.536 1.00 0.00 H new ATOM 0 HB THR A 7 1.910 9.362 3.734 1.00 0.00 H new ATOM 0 HG1 THR A 7 2.057 10.242 5.842 1.00 0.00 H new ATOM 0 HG21 THR A 7 -0.345 9.663 4.692 1.00 0.00 H new ATOM 0 HG22 THR A 7 -0.270 8.156 3.748 1.00 0.00 H new ATOM 0 HG23 THR A 7 -0.213 8.096 5.525 1.00 0.00 H new ATOM 126 N LEU A 8 4.471 7.886 3.627 1.00 0.00 N ATOM 127 CA LEU A 8 5.920 7.999 3.640 1.00 0.00 C ATOM 128 C LEU A 8 6.333 9.106 4.611 1.00 0.00 C ATOM 129 O LEU A 8 7.521 9.325 4.841 1.00 0.00 O ATOM 130 CB LEU A 8 6.455 8.196 2.219 1.00 0.00 C ATOM 131 CG LEU A 8 7.594 7.267 1.797 1.00 0.00 C ATOM 132 CD1 LEU A 8 7.562 7.012 0.289 1.00 0.00 C ATOM 133 CD2 LEU A 8 8.947 7.814 2.256 1.00 0.00 C ATOM 0 H LEU A 8 4.030 8.154 2.747 1.00 0.00 H new ATOM 0 HA LEU A 8 6.371 7.074 4.001 1.00 0.00 H new ATOM 0 HB2 LEU A 8 5.629 8.066 1.520 1.00 0.00 H new ATOM 0 HB3 LEU A 8 6.797 9.226 2.120 1.00 0.00 H new ATOM 0 HG LEU A 8 7.451 6.306 2.290 1.00 0.00 H new ATOM 0 HD11 LEU A 8 8.382 6.349 0.015 1.00 0.00 H new ATOM 0 HD12 LEU A 8 6.614 6.548 0.019 1.00 0.00 H new ATOM 0 HD13 LEU A 8 7.667 7.958 -0.242 1.00 0.00 H new ATOM 0 HD21 LEU A 8 9.739 7.134 1.943 1.00 0.00 H new ATOM 0 HD22 LEU A 8 9.113 8.795 1.810 1.00 0.00 H new ATOM 0 HD23 LEU A 8 8.954 7.903 3.342 1.00 0.00 H new ATOM 145 N THR A 9 5.327 9.775 5.157 1.00 0.00 N ATOM 146 CA THR A 9 5.570 10.855 6.098 1.00 0.00 C ATOM 147 C THR A 9 5.423 10.351 7.536 1.00 0.00 C ATOM 148 O THR A 9 6.008 10.917 8.458 1.00 0.00 O ATOM 149 CB THR A 9 4.619 12.004 5.757 1.00 0.00 C ATOM 150 OG1 THR A 9 5.092 12.483 4.500 1.00 0.00 O ATOM 151 CG2 THR A 9 4.784 13.199 6.698 1.00 0.00 C ATOM 0 H THR A 9 4.342 9.590 4.965 1.00 0.00 H new ATOM 0 HA THR A 9 6.592 11.226 6.019 1.00 0.00 H new ATOM 0 HB THR A 9 3.589 11.649 5.799 1.00 0.00 H new ATOM 0 HG1 THR A 9 4.531 13.229 4.202 1.00 0.00 H new ATOM 0 HG21 THR A 9 4.086 13.986 6.412 1.00 0.00 H new ATOM 0 HG22 THR A 9 4.579 12.887 7.722 1.00 0.00 H new ATOM 0 HG23 THR A 9 5.804 13.577 6.631 1.00 0.00 H new ATOM 159 N GLY A 10 4.638 9.294 7.681 1.00 0.00 N ATOM 160 CA GLY A 10 4.407 8.708 8.990 1.00 0.00 C ATOM 161 C GLY A 10 2.953 8.903 9.428 1.00 0.00 C ATOM 162 O GLY A 10 2.563 8.460 10.508 1.00 0.00 O ATOM 0 H GLY A 10 4.154 8.828 6.914 1.00 0.00 H new ATOM 0 HA2 GLY A 10 4.643 7.644 8.963 1.00 0.00 H new ATOM 0 HA3 GLY A 10 5.075 9.165 9.720 1.00 0.00 H new ATOM 166 N LYS A 11 2.193 9.564 8.568 1.00 0.00 N ATOM 167 CA LYS A 11 0.792 9.822 8.853 1.00 0.00 C ATOM 168 C LYS A 11 -0.002 8.522 8.705 1.00 0.00 C ATOM 169 O LYS A 11 0.334 7.677 7.876 1.00 0.00 O ATOM 170 CB LYS A 11 0.269 10.964 7.980 1.00 0.00 C ATOM 171 CG LYS A 11 -1.146 11.369 8.397 1.00 0.00 C ATOM 172 CD LYS A 11 -1.112 12.370 9.554 1.00 0.00 C ATOM 173 CE LYS A 11 -2.378 12.264 10.407 1.00 0.00 C ATOM 174 NZ LYS A 11 -2.249 13.089 11.629 1.00 0.00 N ATOM 0 H LYS A 11 2.521 9.929 7.674 1.00 0.00 H new ATOM 0 HA LYS A 11 0.668 10.156 9.883 1.00 0.00 H new ATOM 0 HB2 LYS A 11 0.936 11.823 8.061 1.00 0.00 H new ATOM 0 HB3 LYS A 11 0.270 10.657 6.934 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -1.668 11.808 7.547 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -1.709 10.484 8.694 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -0.235 12.185 10.174 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -1.017 13.382 9.161 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -3.242 12.592 9.829 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -2.554 11.224 10.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -3.116 13.006 12.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -1.437 12.758 12.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -2.103 14.084 11.363 1.00 0.00 H new ATOM 188 N THR A 12 -1.040 8.403 9.520 1.00 0.00 N ATOM 189 CA THR A 12 -1.884 7.221 9.490 1.00 0.00 C ATOM 190 C THR A 12 -3.200 7.524 8.773 1.00 0.00 C ATOM 191 O THR A 12 -3.908 8.462 9.137 1.00 0.00 O ATOM 192 CB THR A 12 -2.073 6.738 10.930 1.00 0.00 C ATOM 193 OG1 THR A 12 -0.802 6.198 11.285 1.00 0.00 O ATOM 194 CG2 THR A 12 -3.025 5.545 11.027 1.00 0.00 C ATOM 0 H THR A 12 -1.316 9.106 10.205 1.00 0.00 H new ATOM 0 HA THR A 12 -1.418 6.417 8.921 1.00 0.00 H new ATOM 0 HB THR A 12 -2.454 7.557 11.540 1.00 0.00 H new ATOM 0 HG1 THR A 12 -0.834 5.863 12.205 1.00 0.00 H new ATOM 0 HG21 THR A 12 -3.124 5.242 12.069 1.00 0.00 H new ATOM 0 HG22 THR A 12 -4.003 5.827 10.637 1.00 0.00 H new ATOM 0 HG23 THR A 12 -2.628 4.714 10.444 1.00 0.00 H new ATOM 202 N ILE A 13 -3.490 6.712 7.767 1.00 0.00 N ATOM 203 CA ILE A 13 -4.710 6.881 6.995 1.00 0.00 C ATOM 204 C ILE A 13 -5.494 5.567 6.994 1.00 0.00 C ATOM 205 O ILE A 13 -5.020 4.558 6.476 1.00 0.00 O ATOM 206 CB ILE A 13 -4.388 7.407 5.594 1.00 0.00 C ATOM 207 CG1 ILE A 13 -4.012 8.890 5.637 1.00 0.00 C ATOM 208 CG2 ILE A 13 -5.545 7.137 4.630 1.00 0.00 C ATOM 209 CD1 ILE A 13 -5.218 9.750 6.021 1.00 0.00 C ATOM 0 H ILE A 13 -2.901 5.935 7.468 1.00 0.00 H new ATOM 0 HA ILE A 13 -5.351 7.634 7.454 1.00 0.00 H new ATOM 0 HB ILE A 13 -3.520 6.866 5.217 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -3.207 9.044 6.356 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -3.634 9.201 4.663 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -5.292 7.520 3.641 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -5.724 6.064 4.568 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -6.444 7.635 4.993 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -4.924 10.799 6.044 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -6.012 9.612 5.287 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -5.578 9.452 7.006 1.00 0.00 H new ATOM 221 N THR A 14 -6.680 5.624 7.581 1.00 0.00 N ATOM 222 CA THR A 14 -7.535 4.452 7.655 1.00 0.00 C ATOM 223 C THR A 14 -8.547 4.456 6.507 1.00 0.00 C ATOM 224 O THR A 14 -9.093 5.502 6.161 1.00 0.00 O ATOM 225 CB THR A 14 -8.187 4.427 9.038 1.00 0.00 C ATOM 226 OG1 THR A 14 -7.150 4.856 9.918 1.00 0.00 O ATOM 227 CG2 THR A 14 -8.510 3.008 9.508 1.00 0.00 C ATOM 0 H THR A 14 -7.069 6.464 8.010 1.00 0.00 H new ATOM 0 HA THR A 14 -6.958 3.535 7.536 1.00 0.00 H new ATOM 0 HB THR A 14 -9.102 5.020 9.019 1.00 0.00 H new ATOM 0 HG1 THR A 14 -6.991 4.167 10.596 1.00 0.00 H new ATOM 0 HG21 THR A 14 -8.971 3.048 10.495 1.00 0.00 H new ATOM 0 HG22 THR A 14 -9.198 2.540 8.804 1.00 0.00 H new ATOM 0 HG23 THR A 14 -7.591 2.424 9.560 1.00 0.00 H new ATOM 235 N LEU A 15 -8.766 3.275 5.948 1.00 0.00 N ATOM 236 CA LEU A 15 -9.703 3.130 4.847 1.00 0.00 C ATOM 237 C LEU A 15 -10.534 1.861 5.054 1.00 0.00 C ATOM 238 O LEU A 15 -9.997 0.816 5.417 1.00 0.00 O ATOM 239 CB LEU A 15 -8.965 3.170 3.507 1.00 0.00 C ATOM 240 CG LEU A 15 -9.691 3.879 2.363 1.00 0.00 C ATOM 241 CD1 LEU A 15 -10.918 3.084 1.916 1.00 0.00 C ATOM 242 CD2 LEU A 15 -10.048 5.316 2.747 1.00 0.00 C ATOM 0 H LEU A 15 -8.310 2.409 6.237 1.00 0.00 H new ATOM 0 HA LEU A 15 -10.400 3.968 4.826 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -8.003 3.659 3.659 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -8.756 2.145 3.199 1.00 0.00 H new ATOM 0 HG LEU A 15 -9.014 3.932 1.510 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -11.416 3.610 1.102 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -10.607 2.097 1.574 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -11.607 2.977 2.754 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -10.563 5.797 1.916 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -10.698 5.308 3.622 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -9.137 5.868 2.978 1.00 0.00 H new ATOM 254 N GLU A 16 -11.829 1.995 4.812 1.00 0.00 N ATOM 255 CA GLU A 16 -12.739 0.873 4.968 1.00 0.00 C ATOM 256 C GLU A 16 -13.026 0.230 3.609 1.00 0.00 C ATOM 257 O GLU A 16 -13.549 0.884 2.708 1.00 0.00 O ATOM 258 CB GLU A 16 -14.036 1.309 5.653 1.00 0.00 C ATOM 259 CG GLU A 16 -14.981 0.122 5.844 1.00 0.00 C ATOM 260 CD GLU A 16 -16.416 0.596 6.082 1.00 0.00 C ATOM 261 OE1 GLU A 16 -16.564 1.639 6.754 1.00 0.00 O ATOM 262 OE2 GLU A 16 -17.332 -0.095 5.586 1.00 0.00 O ATOM 0 H GLU A 16 -12.270 2.863 4.509 1.00 0.00 H new ATOM 0 HA GLU A 16 -12.262 0.130 5.607 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -13.808 1.756 6.621 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -14.527 2.077 5.055 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -14.948 -0.519 4.963 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -14.648 -0.480 6.690 1.00 0.00 H new ATOM 269 N VAL A 17 -12.671 -1.041 3.505 1.00 0.00 N ATOM 270 CA VAL A 17 -12.883 -1.779 2.272 1.00 0.00 C ATOM 271 C VAL A 17 -13.386 -3.186 2.603 1.00 0.00 C ATOM 272 O VAL A 17 -13.553 -3.528 3.773 1.00 0.00 O ATOM 273 CB VAL A 17 -11.602 -1.784 1.437 1.00 0.00 C ATOM 274 CG1 VAL A 17 -11.327 -0.401 0.844 1.00 0.00 C ATOM 275 CG2 VAL A 17 -10.411 -2.272 2.264 1.00 0.00 C ATOM 0 H VAL A 17 -12.237 -1.579 4.255 1.00 0.00 H new ATOM 0 HA VAL A 17 -13.648 -1.295 1.666 1.00 0.00 H new ATOM 0 HB VAL A 17 -11.745 -2.480 0.610 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -10.410 -0.433 0.255 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -12.159 -0.107 0.204 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -11.215 0.325 1.650 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -9.513 -2.266 1.647 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -10.268 -1.612 3.120 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -10.603 -3.286 2.615 1.00 0.00 H new ATOM 285 N GLU A 18 -13.613 -3.962 1.554 1.00 0.00 N ATOM 286 CA GLU A 18 -14.093 -5.323 1.719 1.00 0.00 C ATOM 287 C GLU A 18 -12.975 -6.321 1.410 1.00 0.00 C ATOM 288 O GLU A 18 -12.035 -6.001 0.685 1.00 0.00 O ATOM 289 CB GLU A 18 -15.319 -5.583 0.842 1.00 0.00 C ATOM 290 CG GLU A 18 -16.611 -5.424 1.645 1.00 0.00 C ATOM 291 CD GLU A 18 -17.663 -4.651 0.844 1.00 0.00 C ATOM 292 OE1 GLU A 18 -17.248 -3.748 0.086 1.00 0.00 O ATOM 293 OE2 GLU A 18 -18.857 -4.981 1.009 1.00 0.00 O ATOM 0 H GLU A 18 -13.473 -3.674 0.586 1.00 0.00 H new ATOM 0 HA GLU A 18 -14.396 -5.457 2.757 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -15.322 -4.890 0.000 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -15.266 -6.589 0.426 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -17.001 -6.406 1.912 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -16.402 -4.900 2.578 1.00 0.00 H new ATOM 300 N PRO A 19 -13.119 -7.542 1.990 1.00 0.00 N ATOM 301 CA PRO A 19 -12.133 -8.590 1.784 1.00 0.00 C ATOM 302 C PRO A 19 -12.266 -9.200 0.387 1.00 0.00 C ATOM 303 O PRO A 19 -11.359 -9.886 -0.084 1.00 0.00 O ATOM 304 CB PRO A 19 -12.387 -9.594 2.896 1.00 0.00 C ATOM 305 CG PRO A 19 -13.792 -9.310 3.402 1.00 0.00 C ATOM 306 CD PRO A 19 -14.220 -7.957 2.855 1.00 0.00 C ATOM 0 HA PRO A 19 -11.109 -8.218 1.827 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -12.304 -10.616 2.526 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -11.654 -9.485 3.696 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -14.480 -10.089 3.075 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -13.811 -9.305 4.492 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -15.154 -8.032 2.298 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -14.385 -7.239 3.658 1.00 0.00 H new ATOM 314 N SER A 20 -13.401 -8.927 -0.238 1.00 0.00 N ATOM 315 CA SER A 20 -13.664 -9.440 -1.572 1.00 0.00 C ATOM 316 C SER A 20 -13.147 -8.456 -2.623 1.00 0.00 C ATOM 317 O SER A 20 -12.983 -8.815 -3.787 1.00 0.00 O ATOM 318 CB SER A 20 -15.157 -9.701 -1.778 1.00 0.00 C ATOM 319 OG SER A 20 -15.407 -10.496 -2.933 1.00 0.00 O ATOM 0 H SER A 20 -14.150 -8.357 0.155 1.00 0.00 H new ATOM 0 HA SER A 20 -13.139 -10.389 -1.683 1.00 0.00 H new ATOM 0 HB2 SER A 20 -15.562 -10.202 -0.899 1.00 0.00 H new ATOM 0 HB3 SER A 20 -15.681 -8.750 -1.872 1.00 0.00 H new ATOM 0 HG SER A 20 -14.852 -10.178 -3.675 1.00 0.00 H new ATOM 325 N ASP A 21 -12.904 -7.233 -2.173 1.00 0.00 N ATOM 326 CA ASP A 21 -12.409 -6.194 -3.060 1.00 0.00 C ATOM 327 C ASP A 21 -10.957 -6.498 -3.433 1.00 0.00 C ATOM 328 O ASP A 21 -10.216 -7.078 -2.641 1.00 0.00 O ATOM 329 CB ASP A 21 -12.445 -4.825 -2.378 1.00 0.00 C ATOM 330 CG ASP A 21 -13.801 -4.432 -1.788 1.00 0.00 C ATOM 331 OD1 ASP A 21 -14.800 -5.068 -2.187 1.00 0.00 O ATOM 332 OD2 ASP A 21 -13.807 -3.504 -0.950 1.00 0.00 O ATOM 0 H ASP A 21 -13.041 -6.939 -1.206 1.00 0.00 H new ATOM 0 HA ASP A 21 -13.046 -6.173 -3.944 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -11.702 -4.813 -1.581 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -12.147 -4.067 -3.102 1.00 0.00 H new ATOM 337 N THR A 22 -10.593 -6.093 -4.641 1.00 0.00 N ATOM 338 CA THR A 22 -9.242 -6.314 -5.129 1.00 0.00 C ATOM 339 C THR A 22 -8.317 -5.187 -4.669 1.00 0.00 C ATOM 340 O THR A 22 -8.778 -4.179 -4.137 1.00 0.00 O ATOM 341 CB THR A 22 -9.308 -6.463 -6.651 1.00 0.00 C ATOM 342 OG1 THR A 22 -9.886 -5.239 -7.095 1.00 0.00 O ATOM 343 CG2 THR A 22 -10.313 -7.530 -7.093 1.00 0.00 C ATOM 0 H THR A 22 -11.210 -5.613 -5.296 1.00 0.00 H new ATOM 0 HA THR A 22 -8.817 -7.229 -4.716 1.00 0.00 H new ATOM 0 HB THR A 22 -8.319 -6.715 -7.033 1.00 0.00 H new ATOM 0 HG1 THR A 22 -9.964 -5.249 -8.072 1.00 0.00 H new ATOM 0 HG21 THR A 22 -10.320 -7.595 -8.181 1.00 0.00 H new ATOM 0 HG22 THR A 22 -10.027 -8.495 -6.674 1.00 0.00 H new ATOM 0 HG23 THR A 22 -11.308 -7.261 -6.739 1.00 0.00 H new ATOM 351 N ILE A 23 -7.027 -5.396 -4.889 1.00 0.00 N ATOM 352 CA ILE A 23 -6.032 -4.410 -4.504 1.00 0.00 C ATOM 353 C ILE A 23 -6.271 -3.117 -5.287 1.00 0.00 C ATOM 354 O ILE A 23 -6.176 -2.024 -4.730 1.00 0.00 O ATOM 355 CB ILE A 23 -4.621 -4.978 -4.670 1.00 0.00 C ATOM 356 CG1 ILE A 23 -4.319 -6.021 -3.592 1.00 0.00 C ATOM 357 CG2 ILE A 23 -3.579 -3.858 -4.694 1.00 0.00 C ATOM 358 CD1 ILE A 23 -4.153 -5.360 -2.222 1.00 0.00 C ATOM 0 H ILE A 23 -6.648 -6.234 -5.329 1.00 0.00 H new ATOM 0 HA ILE A 23 -6.129 -4.165 -3.446 1.00 0.00 H new ATOM 0 HB ILE A 23 -4.568 -5.487 -5.632 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -5.126 -6.752 -3.552 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -3.410 -6.564 -3.851 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -2.585 -4.289 -4.813 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -3.786 -3.187 -5.527 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -3.623 -3.300 -3.759 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -3.939 -6.123 -1.473 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -3.329 -4.647 -2.259 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -5.072 -4.838 -1.956 1.00 0.00 H new ATOM 370 N GLU A 24 -6.578 -3.286 -6.564 1.00 0.00 N ATOM 371 CA GLU A 24 -6.830 -2.146 -7.429 1.00 0.00 C ATOM 372 C GLU A 24 -8.037 -1.352 -6.923 1.00 0.00 C ATOM 373 O GLU A 24 -8.079 -0.130 -7.050 1.00 0.00 O ATOM 374 CB GLU A 24 -7.037 -2.592 -8.879 1.00 0.00 C ATOM 375 CG GLU A 24 -6.657 -1.477 -9.855 1.00 0.00 C ATOM 376 CD GLU A 24 -7.903 -0.785 -10.409 1.00 0.00 C ATOM 377 OE1 GLU A 24 -8.861 -0.626 -9.622 1.00 0.00 O ATOM 378 OE2 GLU A 24 -7.871 -0.431 -11.608 1.00 0.00 O ATOM 0 H GLU A 24 -6.658 -4.194 -7.021 1.00 0.00 H new ATOM 0 HA GLU A 24 -5.955 -1.496 -7.404 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -6.434 -3.478 -9.080 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -8.079 -2.874 -9.031 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -6.025 -0.746 -9.350 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -6.072 -1.891 -10.676 1.00 0.00 H new ATOM 385 N ASN A 25 -8.989 -2.081 -6.358 1.00 0.00 N ATOM 386 CA ASN A 25 -10.193 -1.460 -5.831 1.00 0.00 C ATOM 387 C ASN A 25 -9.836 -0.632 -4.595 1.00 0.00 C ATOM 388 O ASN A 25 -10.272 0.511 -4.464 1.00 0.00 O ATOM 389 CB ASN A 25 -11.218 -2.516 -5.412 1.00 0.00 C ATOM 390 CG ASN A 25 -12.630 -1.928 -5.384 1.00 0.00 C ATOM 391 OD1 ASN A 25 -13.025 -1.239 -4.457 1.00 0.00 O ATOM 392 ND2 ASN A 25 -13.366 -2.236 -6.447 1.00 0.00 N ATOM 0 H ASN A 25 -8.951 -3.095 -6.254 1.00 0.00 H new ATOM 0 HA ASN A 25 -10.619 -0.833 -6.614 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -11.184 -3.356 -6.105 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -10.963 -2.905 -4.426 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -14.323 -1.891 -6.522 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -12.974 -2.817 -7.188 1.00 0.00 H new ATOM 399 N VAL A 26 -9.045 -1.239 -3.723 1.00 0.00 N ATOM 400 CA VAL A 26 -8.624 -0.571 -2.503 1.00 0.00 C ATOM 401 C VAL A 26 -7.772 0.647 -2.862 1.00 0.00 C ATOM 402 O VAL A 26 -7.909 1.706 -2.251 1.00 0.00 O ATOM 403 CB VAL A 26 -7.899 -1.561 -1.588 1.00 0.00 C ATOM 404 CG1 VAL A 26 -7.500 -0.897 -0.270 1.00 0.00 C ATOM 405 CG2 VAL A 26 -8.754 -2.805 -1.339 1.00 0.00 C ATOM 0 H VAL A 26 -8.684 -2.186 -3.837 1.00 0.00 H new ATOM 0 HA VAL A 26 -9.489 -0.209 -1.947 1.00 0.00 H new ATOM 0 HB VAL A 26 -6.987 -1.878 -2.093 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -6.987 -1.622 0.362 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -6.835 -0.057 -0.472 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -8.393 -0.538 0.242 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -8.215 -3.492 -0.686 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -9.691 -2.513 -0.865 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -8.965 -3.297 -2.288 1.00 0.00 H new ATOM 415 N LYS A 27 -6.912 0.457 -3.850 1.00 0.00 N ATOM 416 CA LYS A 27 -6.037 1.528 -4.298 1.00 0.00 C ATOM 417 C LYS A 27 -6.879 2.641 -4.922 1.00 0.00 C ATOM 418 O LYS A 27 -6.569 3.821 -4.766 1.00 0.00 O ATOM 419 CB LYS A 27 -4.953 0.980 -5.228 1.00 0.00 C ATOM 420 CG LYS A 27 -3.671 0.665 -4.454 1.00 0.00 C ATOM 421 CD LYS A 27 -2.918 -0.504 -5.092 1.00 0.00 C ATOM 422 CE LYS A 27 -2.331 -0.103 -6.447 1.00 0.00 C ATOM 423 NZ LYS A 27 -2.073 -1.304 -7.274 1.00 0.00 N ATOM 0 H LYS A 27 -6.801 -0.423 -4.354 1.00 0.00 H new ATOM 0 HA LYS A 27 -5.507 1.966 -3.453 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -5.315 0.078 -5.721 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -4.739 1.708 -6.011 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -3.030 1.546 -4.432 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -3.917 0.423 -3.420 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -2.118 -0.832 -4.428 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.593 -1.350 -5.220 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -3.020 0.563 -6.966 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -1.404 0.451 -6.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -2.089 -1.042 -8.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -1.141 -1.698 -7.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -2.808 -2.017 -7.090 1.00 0.00 H new ATOM 437 N ALA A 28 -7.929 2.227 -5.616 1.00 0.00 N ATOM 438 CA ALA A 28 -8.819 3.175 -6.265 1.00 0.00 C ATOM 439 C ALA A 28 -9.515 4.026 -5.200 1.00 0.00 C ATOM 440 O ALA A 28 -9.693 5.229 -5.381 1.00 0.00 O ATOM 441 CB ALA A 28 -9.813 2.420 -7.149 1.00 0.00 C ATOM 0 H ALA A 28 -8.184 1.247 -5.743 1.00 0.00 H new ATOM 0 HA ALA A 28 -8.256 3.850 -6.910 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -10.480 3.131 -7.636 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -9.270 1.855 -7.907 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -10.398 1.735 -6.536 1.00 0.00 H new ATOM 447 N LYS A 29 -9.888 3.367 -4.113 1.00 0.00 N ATOM 448 CA LYS A 29 -10.560 4.047 -3.019 1.00 0.00 C ATOM 449 C LYS A 29 -9.614 5.086 -2.412 1.00 0.00 C ATOM 450 O LYS A 29 -9.990 6.244 -2.235 1.00 0.00 O ATOM 451 CB LYS A 29 -11.093 3.034 -2.005 1.00 0.00 C ATOM 452 CG LYS A 29 -12.615 3.130 -1.881 1.00 0.00 C ATOM 453 CD LYS A 29 -13.145 2.139 -0.844 1.00 0.00 C ATOM 454 CE LYS A 29 -14.436 2.652 -0.205 1.00 0.00 C ATOM 455 NZ LYS A 29 -15.596 1.859 -0.671 1.00 0.00 N ATOM 0 H LYS A 29 -9.738 2.369 -3.966 1.00 0.00 H new ATOM 0 HA LYS A 29 -11.434 4.586 -3.385 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -10.812 2.026 -2.311 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -10.634 3.211 -1.033 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -12.897 4.144 -1.597 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -13.075 2.930 -2.849 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -13.328 1.175 -1.318 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -12.392 1.977 -0.072 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -14.360 2.592 0.881 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -14.581 3.702 -0.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -16.464 2.221 -0.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -15.677 1.937 -1.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -15.463 0.862 -0.408 1.00 0.00 H new ATOM 469 N ILE A 30 -8.406 4.635 -2.111 1.00 0.00 N ATOM 470 CA ILE A 30 -7.404 5.510 -1.527 1.00 0.00 C ATOM 471 C ILE A 30 -7.057 6.617 -2.526 1.00 0.00 C ATOM 472 O ILE A 30 -6.743 7.738 -2.130 1.00 0.00 O ATOM 473 CB ILE A 30 -6.193 4.702 -1.060 1.00 0.00 C ATOM 474 CG1 ILE A 30 -6.584 3.713 0.041 1.00 0.00 C ATOM 475 CG2 ILE A 30 -5.053 5.624 -0.622 1.00 0.00 C ATOM 476 CD1 ILE A 30 -5.611 2.534 0.091 1.00 0.00 C ATOM 0 H ILE A 30 -8.098 3.674 -2.261 1.00 0.00 H new ATOM 0 HA ILE A 30 -7.796 5.996 -0.634 1.00 0.00 H new ATOM 0 HB ILE A 30 -5.828 4.117 -1.904 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -6.594 4.222 1.005 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -7.595 3.347 -0.137 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -4.204 5.023 -0.295 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -4.751 6.252 -1.460 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -5.390 6.254 0.201 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -5.912 1.847 0.882 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -5.622 2.013 -0.866 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -4.605 2.901 0.293 1.00 0.00 H new ATOM 488 N GLN A 31 -7.124 6.262 -3.800 1.00 0.00 N ATOM 489 CA GLN A 31 -6.821 7.211 -4.858 1.00 0.00 C ATOM 490 C GLN A 31 -7.852 8.341 -4.869 1.00 0.00 C ATOM 491 O GLN A 31 -7.494 9.513 -4.758 1.00 0.00 O ATOM 492 CB GLN A 31 -6.757 6.513 -6.218 1.00 0.00 C ATOM 493 CG GLN A 31 -6.820 7.531 -7.359 1.00 0.00 C ATOM 494 CD GLN A 31 -6.779 6.832 -8.720 1.00 0.00 C ATOM 495 OE1 GLN A 31 -7.228 5.709 -8.883 1.00 0.00 O ATOM 496 NE2 GLN A 31 -6.218 7.556 -9.683 1.00 0.00 N ATOM 0 H GLN A 31 -7.384 5.330 -4.124 1.00 0.00 H new ATOM 0 HA GLN A 31 -5.840 7.643 -4.662 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -5.836 5.935 -6.291 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -7.583 5.808 -6.308 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -7.734 8.120 -7.276 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -5.984 8.226 -7.278 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -5.862 8.490 -9.478 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -6.143 7.178 -10.627 1.00 0.00 H new ATOM 505 N ASP A 32 -9.110 7.950 -5.004 1.00 0.00 N ATOM 506 CA ASP A 32 -10.196 8.915 -5.031 1.00 0.00 C ATOM 507 C ASP A 32 -10.216 9.691 -3.713 1.00 0.00 C ATOM 508 O ASP A 32 -10.689 10.825 -3.662 1.00 0.00 O ATOM 509 CB ASP A 32 -11.549 8.219 -5.189 1.00 0.00 C ATOM 510 CG ASP A 32 -12.457 8.809 -6.271 1.00 0.00 C ATOM 511 OD1 ASP A 32 -12.422 10.048 -6.427 1.00 0.00 O ATOM 512 OD2 ASP A 32 -13.164 8.007 -6.917 1.00 0.00 O ATOM 0 H ASP A 32 -9.402 6.977 -5.096 1.00 0.00 H new ATOM 0 HA ASP A 32 -10.032 9.582 -5.878 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -11.375 7.167 -5.415 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -12.074 8.257 -4.235 1.00 0.00 H new ATOM 517 N LYS A 33 -9.694 9.049 -2.677 1.00 0.00 N ATOM 518 CA LYS A 33 -9.646 9.665 -1.362 1.00 0.00 C ATOM 519 C LYS A 33 -8.539 10.722 -1.339 1.00 0.00 C ATOM 520 O LYS A 33 -8.818 11.919 -1.384 1.00 0.00 O ATOM 521 CB LYS A 33 -9.498 8.597 -0.276 1.00 0.00 C ATOM 522 CG LYS A 33 -10.064 9.090 1.058 1.00 0.00 C ATOM 523 CD LYS A 33 -11.461 8.519 1.304 1.00 0.00 C ATOM 524 CE LYS A 33 -11.980 8.918 2.687 1.00 0.00 C ATOM 525 NZ LYS A 33 -11.155 8.299 3.749 1.00 0.00 N ATOM 0 H LYS A 33 -9.301 8.109 -2.722 1.00 0.00 H new ATOM 0 HA LYS A 33 -10.583 10.179 -1.147 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -10.016 7.688 -0.582 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -8.446 8.339 -0.156 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -9.399 8.797 1.870 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -10.107 10.179 1.059 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -12.146 8.880 0.537 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -11.434 7.432 1.221 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -11.961 10.003 2.790 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -13.018 8.605 2.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -11.724 7.601 4.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -10.334 7.826 3.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -10.826 9.035 4.406 1.00 0.00 H new ATOM 539 N GLU A 34 -7.306 10.241 -1.269 1.00 0.00 N ATOM 540 CA GLU A 34 -6.157 11.130 -1.240 1.00 0.00 C ATOM 541 C GLU A 34 -6.002 11.841 -2.586 1.00 0.00 C ATOM 542 O GLU A 34 -5.974 13.070 -2.642 1.00 0.00 O ATOM 543 CB GLU A 34 -4.883 10.367 -0.872 1.00 0.00 C ATOM 544 CG GLU A 34 -4.194 11.001 0.338 1.00 0.00 C ATOM 545 CD GLU A 34 -3.393 12.238 -0.073 1.00 0.00 C ATOM 546 OE1 GLU A 34 -2.635 12.121 -1.061 1.00 0.00 O ATOM 547 OE2 GLU A 34 -3.557 13.272 0.609 1.00 0.00 O ATOM 0 H GLU A 34 -7.078 9.248 -1.232 1.00 0.00 H new ATOM 0 HA GLU A 34 -6.324 11.884 -0.471 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -5.128 9.328 -0.652 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -4.200 10.361 -1.722 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.941 11.278 1.082 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -3.531 10.273 0.806 1.00 0.00 H new ATOM 554 N GLY A 35 -5.904 11.039 -3.635 1.00 0.00 N ATOM 555 CA GLY A 35 -5.752 11.576 -4.976 1.00 0.00 C ATOM 556 C GLY A 35 -4.509 11.003 -5.659 1.00 0.00 C ATOM 557 O GLY A 35 -4.168 11.401 -6.773 1.00 0.00 O ATOM 0 H GLY A 35 -5.927 10.021 -3.584 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -6.637 11.342 -5.568 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -5.678 12.662 -4.930 1.00 0.00 H new ATOM 561 N ILE A 36 -3.864 10.078 -4.963 1.00 0.00 N ATOM 562 CA ILE A 36 -2.665 9.446 -5.488 1.00 0.00 C ATOM 563 C ILE A 36 -3.064 8.376 -6.508 1.00 0.00 C ATOM 564 O ILE A 36 -4.071 7.693 -6.335 1.00 0.00 O ATOM 565 CB ILE A 36 -1.797 8.914 -4.347 1.00 0.00 C ATOM 566 CG1 ILE A 36 -1.293 10.057 -3.462 1.00 0.00 C ATOM 567 CG2 ILE A 36 -0.649 8.057 -4.885 1.00 0.00 C ATOM 568 CD1 ILE A 36 -0.539 9.517 -2.246 1.00 0.00 C ATOM 0 H ILE A 36 -4.149 9.751 -4.040 1.00 0.00 H new ATOM 0 HA ILE A 36 -2.048 10.175 -6.014 1.00 0.00 H new ATOM 0 HB ILE A 36 -2.414 8.270 -3.721 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -0.638 10.708 -4.041 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -2.136 10.665 -3.132 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -0.047 7.691 -4.053 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -1.055 7.211 -5.439 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -0.026 8.658 -5.547 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -0.192 10.349 -1.634 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -1.204 8.886 -1.656 1.00 0.00 H new ATOM 0 HD13 ILE A 36 0.317 8.930 -2.580 1.00 0.00 H new ATOM 580 N PRO A 37 -2.229 8.263 -7.576 1.00 0.00 N ATOM 581 CA PRO A 37 -2.483 7.289 -8.624 1.00 0.00 C ATOM 582 C PRO A 37 -2.132 5.875 -8.155 1.00 0.00 C ATOM 583 O PRO A 37 -1.329 5.703 -7.238 1.00 0.00 O ATOM 584 CB PRO A 37 -1.642 7.750 -9.802 1.00 0.00 C ATOM 585 CG PRO A 37 -0.597 8.691 -9.225 1.00 0.00 C ATOM 586 CD PRO A 37 -1.026 9.056 -7.813 1.00 0.00 C ATOM 0 HA PRO A 37 -3.536 7.234 -8.901 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -1.172 6.903 -10.301 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -2.256 8.257 -10.546 1.00 0.00 H new ATOM 0 HG2 PRO A 37 0.383 8.213 -9.215 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -0.508 9.586 -9.840 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -0.247 8.820 -7.089 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -1.231 10.123 -7.724 1.00 0.00 H new ATOM 594 N PRO A 38 -2.766 4.874 -8.822 1.00 0.00 N ATOM 595 CA PRO A 38 -2.528 3.480 -8.483 1.00 0.00 C ATOM 596 C PRO A 38 -1.168 3.014 -9.005 1.00 0.00 C ATOM 597 O PRO A 38 -0.527 2.156 -8.399 1.00 0.00 O ATOM 598 CB PRO A 38 -3.692 2.723 -9.099 1.00 0.00 C ATOM 599 CG PRO A 38 -4.286 3.649 -10.147 1.00 0.00 C ATOM 600 CD PRO A 38 -3.721 5.041 -9.913 1.00 0.00 C ATOM 0 HA PRO A 38 -2.483 3.309 -7.407 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -3.356 1.789 -9.549 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -4.433 2.464 -8.343 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -4.038 3.300 -11.149 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -5.373 3.661 -10.073 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -3.235 5.427 -10.809 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -4.507 5.748 -9.647 1.00 0.00 H new ATOM 608 N ASP A 39 -0.766 3.599 -10.124 1.00 0.00 N ATOM 609 CA ASP A 39 0.507 3.255 -10.733 1.00 0.00 C ATOM 610 C ASP A 39 1.646 3.757 -9.845 1.00 0.00 C ATOM 611 O ASP A 39 2.685 3.107 -9.735 1.00 0.00 O ATOM 612 CB ASP A 39 0.655 3.910 -12.108 1.00 0.00 C ATOM 613 CG ASP A 39 0.112 3.088 -13.278 1.00 0.00 C ATOM 614 OD1 ASP A 39 0.558 1.928 -13.412 1.00 0.00 O ATOM 615 OD2 ASP A 39 -0.736 3.638 -14.013 1.00 0.00 O ATOM 0 H ASP A 39 -1.300 4.309 -10.625 1.00 0.00 H new ATOM 0 HA ASP A 39 0.545 2.171 -10.844 1.00 0.00 H new ATOM 0 HB2 ASP A 39 0.144 4.873 -12.092 1.00 0.00 H new ATOM 0 HB3 ASP A 39 1.711 4.113 -12.285 1.00 0.00 H new ATOM 620 N GLN A 40 1.414 4.909 -9.234 1.00 0.00 N ATOM 621 CA GLN A 40 2.408 5.506 -8.358 1.00 0.00 C ATOM 622 C GLN A 40 2.198 5.035 -6.918 1.00 0.00 C ATOM 623 O GLN A 40 2.888 5.489 -6.007 1.00 0.00 O ATOM 624 CB GLN A 40 2.370 7.033 -8.446 1.00 0.00 C ATOM 625 CG GLN A 40 3.704 7.641 -8.009 1.00 0.00 C ATOM 626 CD GLN A 40 4.676 7.737 -9.187 1.00 0.00 C ATOM 627 OE1 GLN A 40 4.601 6.992 -10.150 1.00 0.00 O ATOM 628 NE2 GLN A 40 5.590 8.694 -9.057 1.00 0.00 N ATOM 0 H GLN A 40 0.552 5.445 -9.328 1.00 0.00 H new ATOM 0 HA GLN A 40 3.395 5.180 -8.686 1.00 0.00 H new ATOM 0 HB2 GLN A 40 2.146 7.336 -9.469 1.00 0.00 H new ATOM 0 HB3 GLN A 40 1.568 7.417 -7.816 1.00 0.00 H new ATOM 0 HG2 GLN A 40 3.536 8.633 -7.590 1.00 0.00 H new ATOM 0 HG3 GLN A 40 4.144 7.032 -7.219 1.00 0.00 H new ATOM 0 HE21 GLN A 40 5.597 9.283 -8.224 1.00 0.00 H new ATOM 0 HE22 GLN A 40 6.284 8.839 -9.790 1.00 0.00 H new ATOM 637 N GLN A 41 1.242 4.131 -6.758 1.00 0.00 N ATOM 638 CA GLN A 41 0.934 3.593 -5.444 1.00 0.00 C ATOM 639 C GLN A 41 1.708 2.296 -5.205 1.00 0.00 C ATOM 640 O GLN A 41 1.786 1.444 -6.089 1.00 0.00 O ATOM 641 CB GLN A 41 -0.571 3.371 -5.283 1.00 0.00 C ATOM 642 CG GLN A 41 -1.232 4.567 -4.593 1.00 0.00 C ATOM 643 CD GLN A 41 -2.757 4.441 -4.618 1.00 0.00 C ATOM 644 OE1 GLN A 41 -3.344 3.886 -5.532 1.00 0.00 O ATOM 645 NE2 GLN A 41 -3.361 4.985 -3.566 1.00 0.00 N ATOM 0 H GLN A 41 0.671 3.758 -7.516 1.00 0.00 H new ATOM 0 HA GLN A 41 1.244 4.320 -4.694 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -1.026 3.214 -6.261 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -0.748 2.467 -4.700 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -0.886 4.633 -3.562 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -0.932 5.490 -5.090 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -2.808 5.434 -2.836 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -4.378 4.953 -3.489 1.00 0.00 H new ATOM 654 N ARG A 42 2.263 2.187 -4.007 1.00 0.00 N ATOM 655 CA ARG A 42 3.028 1.007 -3.641 1.00 0.00 C ATOM 656 C ARG A 42 2.612 0.512 -2.255 1.00 0.00 C ATOM 657 O ARG A 42 3.041 1.062 -1.241 1.00 0.00 O ATOM 658 CB ARG A 42 4.529 1.303 -3.640 1.00 0.00 C ATOM 659 CG ARG A 42 5.340 0.025 -3.860 1.00 0.00 C ATOM 660 CD ARG A 42 6.835 0.337 -3.970 1.00 0.00 C ATOM 661 NE ARG A 42 7.628 -0.823 -3.503 1.00 0.00 N ATOM 662 CZ ARG A 42 7.899 -1.898 -4.254 1.00 0.00 C ATOM 663 NH1 ARG A 42 7.441 -1.971 -5.512 1.00 0.00 N ATOM 664 NH2 ARG A 42 8.627 -2.903 -3.748 1.00 0.00 N ATOM 0 H ARG A 42 2.198 2.897 -3.277 1.00 0.00 H new ATOM 0 HA ARG A 42 2.821 0.235 -4.382 1.00 0.00 H new ATOM 0 HB2 ARG A 42 4.761 2.025 -4.423 1.00 0.00 H new ATOM 0 HB3 ARG A 42 4.813 1.759 -2.692 1.00 0.00 H new ATOM 0 HG2 ARG A 42 5.169 -0.666 -3.034 1.00 0.00 H new ATOM 0 HG3 ARG A 42 5.001 -0.474 -4.768 1.00 0.00 H new ATOM 0 HD2 ARG A 42 7.091 0.571 -5.003 1.00 0.00 H new ATOM 0 HD3 ARG A 42 7.076 1.217 -3.374 1.00 0.00 H new ATOM 0 HE ARG A 42 7.990 -0.802 -2.550 1.00 0.00 H new ATOM 0 HH11 ARG A 42 6.886 -1.207 -5.898 1.00 0.00 H new ATOM 0 HH12 ARG A 42 7.648 -2.790 -6.083 1.00 0.00 H new ATOM 0 HH21 ARG A 42 8.975 -2.849 -2.791 1.00 0.00 H new ATOM 0 HH22 ARG A 42 8.833 -3.722 -4.320 1.00 0.00 H new ATOM 678 N LEU A 43 1.781 -0.520 -2.254 1.00 0.00 N ATOM 679 CA LEU A 43 1.303 -1.094 -1.008 1.00 0.00 C ATOM 680 C LEU A 43 2.159 -2.312 -0.651 1.00 0.00 C ATOM 681 O LEU A 43 2.189 -3.293 -1.392 1.00 0.00 O ATOM 682 CB LEU A 43 -0.194 -1.401 -1.101 1.00 0.00 C ATOM 683 CG LEU A 43 -1.039 -0.389 -1.876 1.00 0.00 C ATOM 684 CD1 LEU A 43 -2.532 -0.676 -1.707 1.00 0.00 C ATOM 685 CD2 LEU A 43 -0.683 1.044 -1.476 1.00 0.00 C ATOM 0 H LEU A 43 1.427 -0.973 -3.096 1.00 0.00 H new ATOM 0 HA LEU A 43 1.410 -0.379 -0.192 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.316 -2.379 -1.567 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.592 -1.478 -0.089 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.809 -0.494 -2.936 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -3.110 0.058 -2.268 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.755 -1.675 -2.081 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.797 -0.616 -0.651 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.298 1.743 -2.042 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.866 1.180 -0.410 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.369 1.231 -1.691 1.00 0.00 H new ATOM 697 N ILE A 44 2.833 -2.208 0.485 1.00 0.00 N ATOM 698 CA ILE A 44 3.687 -3.287 0.950 1.00 0.00 C ATOM 699 C ILE A 44 3.009 -3.999 2.123 1.00 0.00 C ATOM 700 O ILE A 44 2.554 -3.353 3.065 1.00 0.00 O ATOM 701 CB ILE A 44 5.087 -2.761 1.275 1.00 0.00 C ATOM 702 CG1 ILE A 44 5.761 -2.191 0.026 1.00 0.00 C ATOM 703 CG2 ILE A 44 5.938 -3.843 1.942 1.00 0.00 C ATOM 704 CD1 ILE A 44 6.587 -0.949 0.367 1.00 0.00 C ATOM 0 H ILE A 44 2.805 -1.393 1.097 1.00 0.00 H new ATOM 0 HA ILE A 44 3.826 -4.029 0.164 1.00 0.00 H new ATOM 0 HB ILE A 44 4.988 -1.944 1.989 1.00 0.00 H new ATOM 0 HG12 ILE A 44 6.404 -2.948 -0.422 1.00 0.00 H new ATOM 0 HG13 ILE A 44 5.004 -1.936 -0.716 1.00 0.00 H new ATOM 0 HG21 ILE A 44 6.928 -3.443 2.162 1.00 0.00 H new ATOM 0 HG22 ILE A 44 5.461 -4.161 2.869 1.00 0.00 H new ATOM 0 HG23 ILE A 44 6.033 -4.697 1.271 1.00 0.00 H new ATOM 0 HD11 ILE A 44 7.056 -0.564 -0.539 1.00 0.00 H new ATOM 0 HD12 ILE A 44 5.936 -0.185 0.792 1.00 0.00 H new ATOM 0 HD13 ILE A 44 7.358 -1.212 1.091 1.00 0.00 H new ATOM 716 N PHE A 45 2.965 -5.320 2.027 1.00 0.00 N ATOM 717 CA PHE A 45 2.352 -6.125 3.069 1.00 0.00 C ATOM 718 C PHE A 45 2.998 -7.510 3.143 1.00 0.00 C ATOM 719 O PHE A 45 3.335 -8.098 2.116 1.00 0.00 O ATOM 720 CB PHE A 45 0.875 -6.284 2.700 1.00 0.00 C ATOM 721 CG PHE A 45 -0.051 -6.469 3.904 1.00 0.00 C ATOM 722 CD1 PHE A 45 -0.301 -5.423 4.736 1.00 0.00 C ATOM 723 CD2 PHE A 45 -0.624 -7.679 4.140 1.00 0.00 C ATOM 724 CE1 PHE A 45 -1.160 -5.594 5.853 1.00 0.00 C ATOM 725 CE2 PHE A 45 -1.484 -7.851 5.258 1.00 0.00 C ATOM 726 CZ PHE A 45 -1.734 -6.805 6.091 1.00 0.00 C ATOM 0 H PHE A 45 3.344 -5.852 1.244 1.00 0.00 H new ATOM 0 HA PHE A 45 2.480 -5.641 4.037 1.00 0.00 H new ATOM 0 HB2 PHE A 45 0.555 -5.406 2.140 1.00 0.00 H new ATOM 0 HB3 PHE A 45 0.767 -7.142 2.037 1.00 0.00 H new ATOM 0 HD1 PHE A 45 0.154 -4.462 4.547 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -0.426 -8.509 3.478 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -1.358 -4.763 6.514 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -1.939 -8.812 5.446 1.00 0.00 H new ATOM 0 HZ PHE A 45 -2.388 -6.935 6.941 1.00 0.00 H new ATOM 736 N ALA A 46 3.151 -7.992 4.368 1.00 0.00 N ATOM 737 CA ALA A 46 3.752 -9.295 4.590 1.00 0.00 C ATOM 738 C ALA A 46 5.124 -9.342 3.916 1.00 0.00 C ATOM 739 O ALA A 46 5.655 -10.421 3.655 1.00 0.00 O ATOM 740 CB ALA A 46 2.811 -10.385 4.072 1.00 0.00 C ATOM 0 H ALA A 46 2.869 -7.503 5.217 1.00 0.00 H new ATOM 0 HA ALA A 46 3.902 -9.471 5.655 1.00 0.00 H new ATOM 0 HB1 ALA A 46 3.261 -11.364 4.238 1.00 0.00 H new ATOM 0 HB2 ALA A 46 1.861 -10.328 4.603 1.00 0.00 H new ATOM 0 HB3 ALA A 46 2.640 -10.241 3.005 1.00 0.00 H new ATOM 746 N GLY A 47 5.660 -8.159 3.654 1.00 0.00 N ATOM 747 CA GLY A 47 6.960 -8.052 3.014 1.00 0.00 C ATOM 748 C GLY A 47 6.832 -8.139 1.493 1.00 0.00 C ATOM 749 O GLY A 47 7.791 -7.875 0.769 1.00 0.00 O ATOM 0 H GLY A 47 5.218 -7.266 3.873 1.00 0.00 H new ATOM 0 HA2 GLY A 47 7.428 -7.107 3.289 1.00 0.00 H new ATOM 0 HA3 GLY A 47 7.613 -8.848 3.373 1.00 0.00 H new ATOM 753 N LYS A 48 5.639 -8.512 1.052 1.00 0.00 N ATOM 754 CA LYS A 48 5.374 -8.638 -0.371 1.00 0.00 C ATOM 755 C LYS A 48 4.449 -7.504 -0.816 1.00 0.00 C ATOM 756 O LYS A 48 3.577 -7.076 -0.060 1.00 0.00 O ATOM 757 CB LYS A 48 4.835 -10.033 -0.694 1.00 0.00 C ATOM 758 CG LYS A 48 3.357 -10.150 -0.320 1.00 0.00 C ATOM 759 CD LYS A 48 3.092 -11.428 0.480 1.00 0.00 C ATOM 760 CE LYS A 48 2.660 -12.571 -0.441 1.00 0.00 C ATOM 761 NZ LYS A 48 3.648 -13.673 -0.397 1.00 0.00 N ATOM 0 H LYS A 48 4.846 -8.731 1.655 1.00 0.00 H new ATOM 0 HA LYS A 48 6.298 -8.538 -0.940 1.00 0.00 H new ATOM 0 HB2 LYS A 48 4.962 -10.239 -1.757 1.00 0.00 H new ATOM 0 HB3 LYS A 48 5.411 -10.784 -0.153 1.00 0.00 H new ATOM 0 HG2 LYS A 48 3.057 -9.281 0.266 1.00 0.00 H new ATOM 0 HG3 LYS A 48 2.748 -10.150 -1.224 1.00 0.00 H new ATOM 0 HD2 LYS A 48 3.992 -11.714 1.023 1.00 0.00 H new ATOM 0 HD3 LYS A 48 2.317 -11.242 1.223 1.00 0.00 H new ATOM 0 HE2 LYS A 48 1.680 -12.940 -0.137 1.00 0.00 H new ATOM 0 HE3 LYS A 48 2.560 -12.205 -1.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 3.340 -14.441 -1.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 4.576 -13.320 -0.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 3.723 -14.033 0.576 1.00 0.00 H new ATOM 775 N GLN A 49 4.669 -7.048 -2.040 1.00 0.00 N ATOM 776 CA GLN A 49 3.866 -5.972 -2.595 1.00 0.00 C ATOM 777 C GLN A 49 2.538 -6.518 -3.125 1.00 0.00 C ATOM 778 O GLN A 49 2.493 -7.614 -3.682 1.00 0.00 O ATOM 779 CB GLN A 49 4.629 -5.226 -3.691 1.00 0.00 C ATOM 780 CG GLN A 49 6.046 -4.878 -3.232 1.00 0.00 C ATOM 781 CD GLN A 49 7.077 -5.806 -3.881 1.00 0.00 C ATOM 782 OE1 GLN A 49 7.012 -6.122 -5.056 1.00 0.00 O ATOM 783 NE2 GLN A 49 8.027 -6.224 -3.049 1.00 0.00 N ATOM 0 H GLN A 49 5.393 -7.405 -2.664 1.00 0.00 H new ATOM 0 HA GLN A 49 3.651 -5.259 -1.799 1.00 0.00 H new ATOM 0 HB2 GLN A 49 4.675 -5.841 -4.590 1.00 0.00 H new ATOM 0 HB3 GLN A 49 4.094 -4.314 -3.955 1.00 0.00 H new ATOM 0 HG2 GLN A 49 6.271 -3.843 -3.488 1.00 0.00 H new ATOM 0 HG3 GLN A 49 6.111 -4.959 -2.147 1.00 0.00 H new ATOM 0 HE21 GLN A 49 8.022 -5.920 -2.075 1.00 0.00 H new ATOM 0 HE22 GLN A 49 8.761 -6.848 -3.385 1.00 0.00 H new ATOM 792 N LEU A 50 1.491 -5.730 -2.933 1.00 0.00 N ATOM 793 CA LEU A 50 0.167 -6.122 -3.385 1.00 0.00 C ATOM 794 C LEU A 50 0.086 -5.967 -4.905 1.00 0.00 C ATOM 795 O LEU A 50 0.282 -4.874 -5.433 1.00 0.00 O ATOM 796 CB LEU A 50 -0.909 -5.341 -2.629 1.00 0.00 C ATOM 797 CG LEU A 50 -0.705 -5.206 -1.119 1.00 0.00 C ATOM 798 CD1 LEU A 50 -1.703 -4.215 -0.516 1.00 0.00 C ATOM 799 CD2 LEU A 50 -0.768 -6.572 -0.433 1.00 0.00 C ATOM 0 H LEU A 50 1.532 -4.822 -2.471 1.00 0.00 H new ATOM 0 HA LEU A 50 -0.017 -7.173 -3.161 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -0.972 -4.341 -3.058 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -1.870 -5.824 -2.804 1.00 0.00 H new ATOM 0 HG LEU A 50 0.293 -4.803 -0.944 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -1.536 -4.138 0.558 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -1.566 -3.236 -0.975 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.719 -4.564 -0.701 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -0.620 -6.448 0.640 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.742 -7.026 -0.615 1.00 0.00 H new ATOM 0 HD23 LEU A 50 0.013 -7.217 -0.835 1.00 0.00 H new ATOM 811 N GLU A 51 -0.204 -7.078 -5.566 1.00 0.00 N ATOM 812 CA GLU A 51 -0.314 -7.080 -7.015 1.00 0.00 C ATOM 813 C GLU A 51 -1.744 -6.743 -7.440 1.00 0.00 C ATOM 814 O GLU A 51 -2.667 -7.520 -7.197 1.00 0.00 O ATOM 815 CB GLU A 51 0.128 -8.425 -7.596 1.00 0.00 C ATOM 816 CG GLU A 51 1.464 -8.869 -6.998 1.00 0.00 C ATOM 817 CD GLU A 51 1.594 -10.393 -7.016 1.00 0.00 C ATOM 818 OE1 GLU A 51 1.005 -11.002 -7.936 1.00 0.00 O ATOM 819 OE2 GLU A 51 2.279 -10.916 -6.111 1.00 0.00 O ATOM 0 H GLU A 51 -0.366 -7.983 -5.125 1.00 0.00 H new ATOM 0 HA GLU A 51 0.352 -6.313 -7.411 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -0.633 -9.179 -7.395 1.00 0.00 H new ATOM 0 HB3 GLU A 51 0.219 -8.345 -8.679 1.00 0.00 H new ATOM 0 HG2 GLU A 51 2.284 -8.424 -7.561 1.00 0.00 H new ATOM 0 HG3 GLU A 51 1.547 -8.506 -5.974 1.00 0.00 H new ATOM 826 N ASP A 52 -1.884 -5.583 -8.064 1.00 0.00 N ATOM 827 CA ASP A 52 -3.187 -5.133 -8.525 1.00 0.00 C ATOM 828 C ASP A 52 -3.885 -6.277 -9.262 1.00 0.00 C ATOM 829 O ASP A 52 -3.555 -6.575 -10.409 1.00 0.00 O ATOM 830 CB ASP A 52 -3.053 -3.958 -9.495 1.00 0.00 C ATOM 831 CG ASP A 52 -2.103 -4.195 -10.671 1.00 0.00 C ATOM 832 OD1 ASP A 52 -0.921 -4.494 -10.395 1.00 0.00 O ATOM 833 OD2 ASP A 52 -2.581 -4.073 -11.819 1.00 0.00 O ATOM 0 H ASP A 52 -1.117 -4.941 -8.261 1.00 0.00 H new ATOM 0 HA ASP A 52 -3.762 -4.818 -7.654 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -4.041 -3.717 -9.888 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -2.709 -3.085 -8.940 1.00 0.00 H new ATOM 838 N GLY A 53 -4.839 -6.888 -8.574 1.00 0.00 N ATOM 839 CA GLY A 53 -5.586 -7.992 -9.150 1.00 0.00 C ATOM 840 C GLY A 53 -5.895 -9.056 -8.094 1.00 0.00 C ATOM 841 O GLY A 53 -6.738 -9.924 -8.310 1.00 0.00 O ATOM 0 H GLY A 53 -5.111 -6.639 -7.623 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -6.516 -7.621 -9.580 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -5.014 -8.438 -9.964 1.00 0.00 H new ATOM 845 N ARG A 54 -5.193 -8.953 -6.974 1.00 0.00 N ATOM 846 CA ARG A 54 -5.382 -9.894 -5.884 1.00 0.00 C ATOM 847 C ARG A 54 -6.337 -9.314 -4.839 1.00 0.00 C ATOM 848 O ARG A 54 -6.437 -8.097 -4.693 1.00 0.00 O ATOM 849 CB ARG A 54 -4.049 -10.232 -5.213 1.00 0.00 C ATOM 850 CG ARG A 54 -3.251 -11.234 -6.051 1.00 0.00 C ATOM 851 CD ARG A 54 -3.589 -12.672 -5.654 1.00 0.00 C ATOM 852 NE ARG A 54 -2.524 -13.589 -6.120 1.00 0.00 N ATOM 853 CZ ARG A 54 -2.575 -14.923 -6.000 1.00 0.00 C ATOM 854 NH1 ARG A 54 -3.639 -15.504 -5.428 1.00 0.00 N ATOM 855 NH2 ARG A 54 -1.564 -15.675 -6.452 1.00 0.00 N ATOM 0 H ARG A 54 -4.493 -8.232 -6.799 1.00 0.00 H new ATOM 0 HA ARG A 54 -5.808 -10.805 -6.303 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -3.466 -9.321 -5.076 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -4.232 -10.646 -4.221 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -3.469 -11.084 -7.108 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -2.184 -11.057 -5.917 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -3.694 -12.744 -4.572 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -4.546 -12.962 -6.088 1.00 0.00 H new ATOM 0 HE ARG A 54 -1.700 -13.180 -6.560 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -4.410 -14.931 -5.084 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -3.678 -16.519 -5.337 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -0.755 -15.233 -6.888 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -1.603 -16.690 -6.361 1.00 0.00 H new ATOM 869 N THR A 55 -7.016 -10.212 -4.140 1.00 0.00 N ATOM 870 CA THR A 55 -7.960 -9.803 -3.115 1.00 0.00 C ATOM 871 C THR A 55 -7.264 -9.714 -1.755 1.00 0.00 C ATOM 872 O THR A 55 -6.283 -10.413 -1.509 1.00 0.00 O ATOM 873 CB THR A 55 -9.132 -10.786 -3.133 1.00 0.00 C ATOM 874 OG1 THR A 55 -8.522 -12.051 -3.376 1.00 0.00 O ATOM 875 CG2 THR A 55 -10.052 -10.579 -4.338 1.00 0.00 C ATOM 0 H THR A 55 -6.931 -11.221 -4.264 1.00 0.00 H new ATOM 0 HA THR A 55 -8.350 -8.805 -3.312 1.00 0.00 H new ATOM 0 HB THR A 55 -9.708 -10.679 -2.214 1.00 0.00 H new ATOM 0 HG1 THR A 55 -9.211 -12.747 -3.402 1.00 0.00 H new ATOM 0 HG21 THR A 55 -10.867 -11.302 -4.302 1.00 0.00 H new ATOM 0 HG22 THR A 55 -10.462 -9.569 -4.314 1.00 0.00 H new ATOM 0 HG23 THR A 55 -9.484 -10.718 -5.258 1.00 0.00 H new ATOM 883 N LEU A 56 -7.799 -8.847 -0.908 1.00 0.00 N ATOM 884 CA LEU A 56 -7.242 -8.656 0.420 1.00 0.00 C ATOM 885 C LEU A 56 -7.323 -9.972 1.196 1.00 0.00 C ATOM 886 O LEU A 56 -6.425 -10.297 1.972 1.00 0.00 O ATOM 887 CB LEU A 56 -7.927 -7.483 1.126 1.00 0.00 C ATOM 888 CG LEU A 56 -7.703 -6.104 0.505 1.00 0.00 C ATOM 889 CD1 LEU A 56 -8.849 -5.153 0.854 1.00 0.00 C ATOM 890 CD2 LEU A 56 -6.342 -5.535 0.909 1.00 0.00 C ATOM 0 H LEU A 56 -8.613 -8.269 -1.116 1.00 0.00 H new ATOM 0 HA LEU A 56 -6.188 -8.387 0.355 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -8.999 -7.677 1.154 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -7.581 -7.455 2.159 1.00 0.00 H new ATOM 0 HG LEU A 56 -7.696 -6.215 -0.579 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -8.665 -4.179 0.400 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -9.787 -5.559 0.475 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -8.913 -5.042 1.936 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -6.208 -4.554 0.454 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -6.294 -5.441 1.994 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -5.552 -6.204 0.568 1.00 0.00 H new ATOM 902 N SER A 57 -8.408 -10.696 0.960 1.00 0.00 N ATOM 903 CA SER A 57 -8.618 -11.970 1.627 1.00 0.00 C ATOM 904 C SER A 57 -7.522 -12.958 1.224 1.00 0.00 C ATOM 905 O SER A 57 -7.055 -13.744 2.049 1.00 0.00 O ATOM 906 CB SER A 57 -9.996 -12.544 1.297 1.00 0.00 C ATOM 907 OG SER A 57 -10.186 -13.837 1.864 1.00 0.00 O ATOM 0 H SER A 57 -9.151 -10.424 0.316 1.00 0.00 H new ATOM 0 HA SER A 57 -8.572 -11.804 2.703 1.00 0.00 H new ATOM 0 HB2 SER A 57 -10.768 -11.869 1.667 1.00 0.00 H new ATOM 0 HB3 SER A 57 -10.115 -12.602 0.215 1.00 0.00 H new ATOM 0 HG SER A 57 -11.079 -14.168 1.632 1.00 0.00 H new ATOM 913 N ASP A 58 -7.141 -12.888 -0.043 1.00 0.00 N ATOM 914 CA ASP A 58 -6.108 -13.766 -0.565 1.00 0.00 C ATOM 915 C ASP A 58 -4.785 -13.467 0.141 1.00 0.00 C ATOM 916 O ASP A 58 -3.870 -14.288 0.130 1.00 0.00 O ATOM 917 CB ASP A 58 -5.903 -13.546 -2.065 1.00 0.00 C ATOM 918 CG ASP A 58 -5.491 -14.792 -2.851 1.00 0.00 C ATOM 919 OD1 ASP A 58 -4.306 -15.172 -2.732 1.00 0.00 O ATOM 920 OD2 ASP A 58 -6.370 -15.336 -3.554 1.00 0.00 O ATOM 0 H ASP A 58 -7.530 -12.236 -0.724 1.00 0.00 H new ATOM 0 HA ASP A 58 -6.422 -14.795 -0.391 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -6.828 -13.157 -2.490 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.141 -12.779 -2.204 1.00 0.00 H new ATOM 925 N TYR A 59 -4.724 -12.286 0.741 1.00 0.00 N ATOM 926 CA TYR A 59 -3.528 -11.867 1.451 1.00 0.00 C ATOM 927 C TYR A 59 -3.668 -12.117 2.955 1.00 0.00 C ATOM 928 O TYR A 59 -2.729 -11.886 3.716 1.00 0.00 O ATOM 929 CB TYR A 59 -3.397 -10.363 1.206 1.00 0.00 C ATOM 930 CG TYR A 59 -2.749 -10.005 -0.133 1.00 0.00 C ATOM 931 CD1 TYR A 59 -1.446 -10.381 -0.391 1.00 0.00 C ATOM 932 CD2 TYR A 59 -3.465 -9.306 -1.082 1.00 0.00 C ATOM 933 CE1 TYR A 59 -0.836 -10.045 -1.651 1.00 0.00 C ATOM 934 CE2 TYR A 59 -2.855 -8.969 -2.342 1.00 0.00 C ATOM 935 CZ TYR A 59 -1.570 -9.355 -2.564 1.00 0.00 C ATOM 936 OH TYR A 59 -0.994 -9.037 -3.755 1.00 0.00 O ATOM 0 H TYR A 59 -5.485 -11.606 0.749 1.00 0.00 H new ATOM 0 HA TYR A 59 -2.659 -12.424 1.102 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -4.387 -9.910 1.251 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -2.809 -9.924 2.012 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -0.884 -10.927 0.352 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -4.484 -9.011 -0.880 1.00 0.00 H new ATOM 0 HE1 TYR A 59 0.182 -10.335 -1.866 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -3.405 -8.422 -3.093 1.00 0.00 H new ATOM 0 HH TYR A 59 -1.406 -9.567 -4.469 1.00 0.00 H new ATOM 946 N ASN A 60 -4.847 -12.585 3.337 1.00 0.00 N ATOM 947 CA ASN A 60 -5.121 -12.867 4.736 1.00 0.00 C ATOM 948 C ASN A 60 -4.838 -11.617 5.570 1.00 0.00 C ATOM 949 O ASN A 60 -4.085 -11.671 6.542 1.00 0.00 O ATOM 950 CB ASN A 60 -4.226 -13.994 5.255 1.00 0.00 C ATOM 951 CG ASN A 60 -4.720 -14.507 6.610 1.00 0.00 C ATOM 952 OD1 ASN A 60 -5.744 -14.087 7.125 1.00 0.00 O ATOM 953 ND2 ASN A 60 -3.939 -15.433 7.156 1.00 0.00 N ATOM 0 H ASN A 60 -5.623 -12.776 2.703 1.00 0.00 H new ATOM 0 HA ASN A 60 -6.166 -13.167 4.821 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -4.212 -14.813 4.535 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -3.201 -13.635 5.350 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -4.183 -15.837 8.060 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -3.096 -15.740 6.671 1.00 0.00 H new ATOM 960 N ILE A 61 -5.455 -10.519 5.160 1.00 0.00 N ATOM 961 CA ILE A 61 -5.279 -9.256 5.857 1.00 0.00 C ATOM 962 C ILE A 61 -6.218 -9.210 7.065 1.00 0.00 C ATOM 963 O ILE A 61 -7.373 -9.623 6.973 1.00 0.00 O ATOM 964 CB ILE A 61 -5.458 -8.082 4.893 1.00 0.00 C ATOM 965 CG1 ILE A 61 -4.188 -7.845 4.075 1.00 0.00 C ATOM 966 CG2 ILE A 61 -5.903 -6.822 5.640 1.00 0.00 C ATOM 967 CD1 ILE A 61 -4.528 -7.411 2.648 1.00 0.00 C ATOM 0 H ILE A 61 -6.078 -10.478 4.353 1.00 0.00 H new ATOM 0 HA ILE A 61 -4.262 -9.171 6.240 1.00 0.00 H new ATOM 0 HB ILE A 61 -6.251 -8.336 4.189 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -3.579 -7.080 4.556 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -3.592 -8.757 4.049 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -6.023 -6.002 4.932 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -6.853 -7.012 6.140 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -5.150 -6.554 6.381 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -3.607 -7.249 2.088 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -5.117 -8.189 2.162 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -5.103 -6.485 2.676 1.00 0.00 H new ATOM 979 N GLN A 62 -5.687 -8.702 8.168 1.00 0.00 N ATOM 980 CA GLN A 62 -6.463 -8.597 9.392 1.00 0.00 C ATOM 981 C GLN A 62 -7.020 -7.180 9.547 1.00 0.00 C ATOM 982 O GLN A 62 -6.407 -6.216 9.091 1.00 0.00 O ATOM 983 CB GLN A 62 -5.625 -8.994 10.608 1.00 0.00 C ATOM 984 CG GLN A 62 -4.602 -10.071 10.243 1.00 0.00 C ATOM 985 CD GLN A 62 -5.296 -11.392 9.903 1.00 0.00 C ATOM 986 OE1 GLN A 62 -6.312 -11.753 10.472 1.00 0.00 O ATOM 987 NE2 GLN A 62 -4.692 -12.090 8.946 1.00 0.00 N ATOM 0 H GLN A 62 -4.729 -8.359 8.239 1.00 0.00 H new ATOM 0 HA GLN A 62 -7.301 -9.291 9.329 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -5.110 -8.117 11.001 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -6.278 -9.362 11.399 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -4.007 -9.739 9.392 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -3.914 -10.221 11.075 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -3.843 -11.730 8.510 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -5.078 -12.986 8.647 1.00 0.00 H new ATOM 996 N LYS A 63 -8.173 -7.099 10.192 1.00 0.00 N ATOM 997 CA LYS A 63 -8.819 -5.816 10.413 1.00 0.00 C ATOM 998 C LYS A 63 -7.809 -4.839 11.018 1.00 0.00 C ATOM 999 O LYS A 63 -6.985 -5.226 11.845 1.00 0.00 O ATOM 1000 CB LYS A 63 -10.084 -5.991 11.255 1.00 0.00 C ATOM 1001 CG LYS A 63 -10.768 -4.645 11.504 1.00 0.00 C ATOM 1002 CD LYS A 63 -12.280 -4.750 11.289 1.00 0.00 C ATOM 1003 CE LYS A 63 -13.000 -5.053 12.604 1.00 0.00 C ATOM 1004 NZ LYS A 63 -14.312 -4.369 12.646 1.00 0.00 N ATOM 0 H LYS A 63 -8.678 -7.901 10.569 1.00 0.00 H new ATOM 0 HA LYS A 63 -9.150 -5.388 9.467 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -10.773 -6.665 10.746 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -9.830 -6.455 12.208 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -10.564 -4.312 12.522 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -10.353 -3.893 10.833 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -12.657 -3.817 10.870 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -12.494 -5.535 10.564 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -13.141 -6.129 12.709 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -12.387 -4.728 13.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -14.788 -4.585 13.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -14.171 -3.342 12.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -14.901 -4.699 11.855 1.00 0.00 H new ATOM 1018 N GLU A 64 -7.906 -3.592 10.582 1.00 0.00 N ATOM 1019 CA GLU A 64 -7.010 -2.557 11.071 1.00 0.00 C ATOM 1020 C GLU A 64 -5.554 -2.988 10.891 1.00 0.00 C ATOM 1021 O GLU A 64 -4.712 -2.717 11.747 1.00 0.00 O ATOM 1022 CB GLU A 64 -7.307 -2.221 12.533 1.00 0.00 C ATOM 1023 CG GLU A 64 -8.806 -2.006 12.753 1.00 0.00 C ATOM 1024 CD GLU A 64 -9.264 -2.640 14.068 1.00 0.00 C ATOM 1025 OE1 GLU A 64 -8.958 -3.837 14.257 1.00 0.00 O ATOM 1026 OE2 GLU A 64 -9.908 -1.914 14.854 1.00 0.00 O ATOM 0 H GLU A 64 -8.591 -3.275 9.896 1.00 0.00 H new ATOM 0 HA GLU A 64 -7.175 -1.653 10.485 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -6.954 -3.029 13.174 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -6.761 -1.323 12.822 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -9.026 -0.939 12.764 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -9.365 -2.438 11.923 1.00 0.00 H new ATOM 1033 N SER A 65 -5.298 -3.651 9.773 1.00 0.00 N ATOM 1034 CA SER A 65 -3.958 -4.121 9.471 1.00 0.00 C ATOM 1035 C SER A 65 -3.031 -2.932 9.215 1.00 0.00 C ATOM 1036 O SER A 65 -3.484 -1.790 9.149 1.00 0.00 O ATOM 1037 CB SER A 65 -3.963 -5.061 8.263 1.00 0.00 C ATOM 1038 OG SER A 65 -4.009 -6.431 8.652 1.00 0.00 O ATOM 0 H SER A 65 -5.997 -3.874 9.065 1.00 0.00 H new ATOM 0 HA SER A 65 -3.590 -4.681 10.331 1.00 0.00 H new ATOM 0 HB2 SER A 65 -4.822 -4.835 7.631 1.00 0.00 H new ATOM 0 HB3 SER A 65 -3.070 -4.884 7.663 1.00 0.00 H new ATOM 0 HG SER A 65 -4.667 -6.546 9.369 1.00 0.00 H new ATOM 1044 N THR A 66 -1.750 -3.240 9.077 1.00 0.00 N ATOM 1045 CA THR A 66 -0.755 -2.209 8.829 1.00 0.00 C ATOM 1046 C THR A 66 -0.261 -2.282 7.383 1.00 0.00 C ATOM 1047 O THR A 66 0.477 -3.196 7.020 1.00 0.00 O ATOM 1048 CB THR A 66 0.363 -2.374 9.862 1.00 0.00 C ATOM 1049 OG1 THR A 66 -0.158 -1.757 11.037 1.00 0.00 O ATOM 1050 CG2 THR A 66 1.600 -1.541 9.522 1.00 0.00 C ATOM 0 H THR A 66 -1.378 -4.188 9.132 1.00 0.00 H new ATOM 0 HA THR A 66 -1.180 -1.212 8.944 1.00 0.00 H new ATOM 0 HB THR A 66 0.641 -3.426 9.933 1.00 0.00 H new ATOM 0 HG1 THR A 66 0.501 -1.820 11.759 1.00 0.00 H new ATOM 0 HG21 THR A 66 2.363 -1.694 10.286 1.00 0.00 H new ATOM 0 HG22 THR A 66 1.991 -1.849 8.552 1.00 0.00 H new ATOM 0 HG23 THR A 66 1.329 -0.486 9.486 1.00 0.00 H new ATOM 1058 N LEU A 67 -0.689 -1.305 6.596 1.00 0.00 N ATOM 1059 CA LEU A 67 -0.298 -1.247 5.197 1.00 0.00 C ATOM 1060 C LEU A 67 0.672 -0.083 4.991 1.00 0.00 C ATOM 1061 O LEU A 67 0.521 0.973 5.606 1.00 0.00 O ATOM 1062 CB LEU A 67 -1.536 -1.182 4.299 1.00 0.00 C ATOM 1063 CG LEU A 67 -2.248 -2.511 4.042 1.00 0.00 C ATOM 1064 CD1 LEU A 67 -3.247 -2.823 5.159 1.00 0.00 C ATOM 1065 CD2 LEU A 67 -2.910 -2.521 2.663 1.00 0.00 C ATOM 0 H LEU A 67 -1.302 -0.548 6.900 1.00 0.00 H new ATOM 0 HA LEU A 67 0.230 -2.156 4.910 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.250 -0.491 4.747 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -1.242 -0.758 3.339 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.501 -3.305 4.046 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -3.739 -3.773 4.952 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -2.720 -2.887 6.111 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -3.994 -2.031 5.211 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.409 -3.477 2.506 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -3.642 -1.716 2.605 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -2.151 -2.377 1.894 1.00 0.00 H new ATOM 1077 N HIS A 68 1.649 -0.314 4.126 1.00 0.00 N ATOM 1078 CA HIS A 68 2.644 0.701 3.831 1.00 0.00 C ATOM 1079 C HIS A 68 2.385 1.288 2.443 1.00 0.00 C ATOM 1080 O HIS A 68 2.505 0.590 1.438 1.00 0.00 O ATOM 1081 CB HIS A 68 4.058 0.136 3.982 1.00 0.00 C ATOM 1082 CG HIS A 68 4.847 0.747 5.115 1.00 0.00 C ATOM 1083 ND1 HIS A 68 5.435 -0.010 6.112 1.00 0.00 N ATOM 1084 CD2 HIS A 68 5.140 2.049 5.397 1.00 0.00 C ATOM 1085 CE1 HIS A 68 6.051 0.809 6.952 1.00 0.00 C ATOM 1086 NE2 HIS A 68 5.865 2.086 6.508 1.00 0.00 N ATOM 0 H HIS A 68 1.772 -1.191 3.620 1.00 0.00 H new ATOM 0 HA HIS A 68 2.562 1.515 4.551 1.00 0.00 H new ATOM 0 HB2 HIS A 68 3.993 -0.941 4.138 1.00 0.00 H new ATOM 0 HB3 HIS A 68 4.601 0.291 3.050 1.00 0.00 H new ATOM 0 HD2 HIS A 68 4.834 2.905 4.814 1.00 0.00 H new ATOM 0 HE1 HIS A 68 6.603 0.517 7.833 1.00 0.00 H new ATOM 0 HE2 HIS A 68 6.224 2.929 6.956 1.00 0.00 H new ATOM 1094 N LEU A 69 2.032 2.566 2.431 1.00 0.00 N ATOM 1095 CA LEU A 69 1.754 3.254 1.182 1.00 0.00 C ATOM 1096 C LEU A 69 2.984 4.061 0.764 1.00 0.00 C ATOM 1097 O LEU A 69 3.219 5.153 1.282 1.00 0.00 O ATOM 1098 CB LEU A 69 0.480 4.092 1.305 1.00 0.00 C ATOM 1099 CG LEU A 69 0.318 5.218 0.282 1.00 0.00 C ATOM 1100 CD1 LEU A 69 0.068 4.656 -1.118 1.00 0.00 C ATOM 1101 CD2 LEU A 69 -0.779 6.195 0.710 1.00 0.00 C ATOM 0 H LEU A 69 1.932 3.142 3.267 1.00 0.00 H new ATOM 0 HA LEU A 69 1.560 2.535 0.386 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.379 3.426 1.222 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.450 4.528 2.304 1.00 0.00 H new ATOM 0 HG LEU A 69 1.252 5.779 0.242 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.043 5.478 -1.825 1.00 0.00 H new ATOM 0 HD12 LEU A 69 0.911 4.033 -1.416 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.842 4.056 -1.112 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.873 6.985 -0.035 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.726 5.663 0.797 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -0.520 6.634 1.674 1.00 0.00 H new ATOM 1113 N VAL A 70 3.737 3.494 -0.166 1.00 0.00 N ATOM 1114 CA VAL A 70 4.938 4.148 -0.658 1.00 0.00 C ATOM 1115 C VAL A 70 4.746 4.515 -2.132 1.00 0.00 C ATOM 1116 O VAL A 70 3.855 3.987 -2.795 1.00 0.00 O ATOM 1117 CB VAL A 70 6.157 3.254 -0.418 1.00 0.00 C ATOM 1118 CG1 VAL A 70 7.359 3.738 -1.231 1.00 0.00 C ATOM 1119 CG2 VAL A 70 6.495 3.179 1.072 1.00 0.00 C ATOM 0 H VAL A 70 3.539 2.589 -0.592 1.00 0.00 H new ATOM 0 HA VAL A 70 5.119 5.074 -0.113 1.00 0.00 H new ATOM 0 HB VAL A 70 5.908 2.248 -0.756 1.00 0.00 H new ATOM 0 HG11 VAL A 70 8.212 3.086 -1.043 1.00 0.00 H new ATOM 0 HG12 VAL A 70 7.113 3.716 -2.293 1.00 0.00 H new ATOM 0 HG13 VAL A 70 7.610 4.757 -0.938 1.00 0.00 H new ATOM 0 HG21 VAL A 70 7.365 2.538 1.216 1.00 0.00 H new ATOM 0 HG22 VAL A 70 6.715 4.179 1.446 1.00 0.00 H new ATOM 0 HG23 VAL A 70 5.646 2.767 1.617 1.00 0.00 H new