USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 586 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 22 THR OG1 : rot -48:sc= 0.547 USER MOD Set 1.2: A 25 ASN : amide:sc= 1.24 K(o=1.8,f=-4.8!) USER MOD Set 2.1: A 7 THR OG1 : rot 180:sc= 0.0554 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 6 LYS NZ :NH3+ -167:sc= 1.16 (180deg=-0.235) USER MOD Set 3.2: A 12 THR OG1 : rot 116:sc= 0.792 USER MOD Single : A 1 MET CE :methyl -174:sc= 0 (180deg=-0.0219) USER MOD Single : A 1 MET N :NH3+ 154:sc= 1.26 (180deg=1.15) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 LYS NZ :NH3+ -155:sc= 1.04 (180deg=0.599) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -169:sc= 1.7 (180deg=1.43) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -1.06 K(o=-1.1,f=-0.45) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 41 GLN : amide:sc= 0.833 K(o=0.83,f=-1.5) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.522 K(o=-0.52,f=-1.5) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 70:sc= 0.458 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 140:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.128 -4.365 -4.141 1.00 0.78 N ATOM 2 CA MET A 1 12.853 -4.974 -2.820 1.00 0.70 C ATOM 3 C MET A 1 11.467 -5.493 -2.642 1.00 0.62 C ATOM 4 O MET A 1 10.578 -4.909 -3.257 1.00 0.68 O ATOM 5 CB MET A 1 13.046 -3.964 -1.676 1.00 0.75 C ATOM 6 CG MET A 1 12.064 -2.794 -1.604 1.00 0.79 C ATOM 7 SD MET A 1 12.472 -1.594 -0.302 1.00 1.10 S ATOM 8 CE MET A 1 11.090 -0.468 -0.648 1.00 0.84 C ATOM 0 H1 MET A 1 13.896 -3.670 -4.050 1.00 0.78 H new ATOM 0 H2 MET A 1 13.410 -5.107 -4.813 1.00 0.78 H new ATOM 0 H3 MET A 1 12.271 -3.890 -4.490 1.00 0.78 H new ATOM 0 HA MET A 1 13.563 -5.800 -2.786 1.00 0.70 H new ATOM 0 HB2 MET A 1 12.993 -4.508 -0.733 1.00 0.75 H new ATOM 0 HB3 MET A 1 14.054 -3.555 -1.753 1.00 0.75 H new ATOM 0 HG2 MET A 1 12.046 -2.283 -2.567 1.00 0.79 H new ATOM 0 HG3 MET A 1 11.060 -3.181 -1.430 1.00 0.79 H new ATOM 0 HE1 MET A 1 11.185 0.425 -0.031 1.00 0.84 H new ATOM 0 HE2 MET A 1 11.106 -0.185 -1.701 1.00 0.84 H new ATOM 0 HE3 MET A 1 10.148 -0.967 -0.421 1.00 0.84 H new ATOM 20 N GLN A 2 11.231 -6.541 -1.833 1.00 0.59 N ATOM 21 CA GLN A 2 9.993 -7.210 -1.574 1.00 0.56 C ATOM 22 C GLN A 2 9.404 -6.571 -0.363 1.00 0.50 C ATOM 23 O GLN A 2 10.052 -6.501 0.680 1.00 0.60 O ATOM 24 CB GLN A 2 10.165 -8.731 -1.433 1.00 0.71 C ATOM 25 CG GLN A 2 10.524 -9.570 -2.661 1.00 1.15 C ATOM 26 CD GLN A 2 11.111 -10.945 -2.373 1.00 1.30 C ATOM 27 OE1 GLN A 2 10.450 -11.981 -2.424 1.00 1.87 O ATOM 28 NE2 GLN A 2 12.409 -11.028 -1.977 1.00 1.72 N ATOM 0 H GLN A 2 11.993 -6.964 -1.303 1.00 0.59 H new ATOM 0 HA GLN A 2 9.313 -7.101 -2.419 1.00 0.56 H new ATOM 0 HB2 GLN A 2 10.938 -8.903 -0.684 1.00 0.71 H new ATOM 0 HB3 GLN A 2 9.234 -9.128 -1.028 1.00 0.71 H new ATOM 0 HG2 GLN A 2 9.626 -9.698 -3.266 1.00 1.15 H new ATOM 0 HG3 GLN A 2 11.238 -9.010 -3.265 1.00 1.15 H new ATOM 0 HE21 GLN A 2 12.981 -10.185 -1.925 1.00 1.72 H new ATOM 0 HE22 GLN A 2 12.810 -11.933 -1.732 1.00 1.72 H new ATOM 37 N ILE A 3 8.172 -6.046 -0.488 1.00 0.44 N ATOM 38 CA ILE A 3 7.413 -5.605 0.641 1.00 0.42 C ATOM 39 C ILE A 3 6.154 -6.398 0.691 1.00 0.40 C ATOM 40 O ILE A 3 5.694 -7.037 -0.254 1.00 0.50 O ATOM 41 CB ILE A 3 7.154 -4.127 0.669 1.00 0.48 C ATOM 42 CG1 ILE A 3 6.238 -3.813 -0.526 1.00 0.55 C ATOM 43 CG2 ILE A 3 8.483 -3.353 0.689 1.00 0.61 C ATOM 44 CD1 ILE A 3 5.861 -2.332 -0.561 1.00 0.72 C ATOM 0 H ILE A 3 7.697 -5.926 -1.383 1.00 0.44 H new ATOM 0 HA ILE A 3 8.006 -5.780 1.538 1.00 0.42 H new ATOM 0 HB ILE A 3 6.643 -3.805 1.576 1.00 0.48 H new ATOM 0 HG12 ILE A 3 6.741 -4.085 -1.454 1.00 0.55 H new ATOM 0 HG13 ILE A 3 5.334 -4.419 -0.464 1.00 0.55 H new ATOM 0 HG21 ILE A 3 8.280 -2.282 0.709 1.00 0.61 H new ATOM 0 HG22 ILE A 3 9.053 -3.631 1.576 1.00 0.61 H new ATOM 0 HG23 ILE A 3 9.059 -3.596 -0.204 1.00 0.61 H new ATOM 0 HD11 ILE A 3 5.213 -2.142 -1.417 1.00 0.72 H new ATOM 0 HD12 ILE A 3 5.336 -2.068 0.357 1.00 0.72 H new ATOM 0 HD13 ILE A 3 6.764 -1.729 -0.648 1.00 0.72 H new ATOM 56 N PHE A 4 5.385 -6.286 1.790 1.00 0.37 N ATOM 57 CA PHE A 4 4.168 -7.028 1.900 1.00 0.38 C ATOM 58 C PHE A 4 3.011 -6.112 2.105 1.00 0.39 C ATOM 59 O PHE A 4 3.131 -5.043 2.704 1.00 0.60 O ATOM 60 CB PHE A 4 4.105 -7.871 3.184 1.00 0.45 C ATOM 61 CG PHE A 4 5.280 -8.786 3.102 1.00 0.51 C ATOM 62 CD1 PHE A 4 5.254 -9.788 2.162 1.00 1.16 C ATOM 63 CD2 PHE A 4 6.379 -8.592 3.906 1.00 1.30 C ATOM 64 CE1 PHE A 4 6.393 -10.538 1.986 1.00 1.23 C ATOM 65 CE2 PHE A 4 7.469 -9.414 3.739 1.00 1.40 C ATOM 66 CZ PHE A 4 7.528 -10.355 2.740 1.00 0.85 C ATOM 0 H PHE A 4 5.601 -5.692 2.590 1.00 0.37 H new ATOM 0 HA PHE A 4 4.134 -7.624 0.988 1.00 0.38 H new ATOM 0 HB2 PHE A 4 4.156 -7.242 4.072 1.00 0.45 H new ATOM 0 HB3 PHE A 4 3.172 -8.431 3.243 1.00 0.45 H new ATOM 0 HD1 PHE A 4 4.366 -9.981 1.579 1.00 1.16 H new ATOM 0 HD2 PHE A 4 6.386 -7.811 4.652 1.00 1.30 H new ATOM 0 HE1 PHE A 4 6.396 -11.303 1.224 1.00 1.23 H new ATOM 0 HE2 PHE A 4 8.306 -9.316 4.415 1.00 1.40 H new ATOM 0 HZ PHE A 4 8.426 -10.926 2.555 1.00 0.85 H new ATOM 76 N VAL A 5 1.839 -6.448 1.537 1.00 0.35 N ATOM 77 CA VAL A 5 0.628 -5.727 1.775 1.00 0.35 C ATOM 78 C VAL A 5 -0.383 -6.685 2.306 1.00 0.35 C ATOM 79 O VAL A 5 -0.539 -7.806 1.824 1.00 0.46 O ATOM 80 CB VAL A 5 0.149 -4.982 0.566 1.00 0.44 C ATOM 81 CG1 VAL A 5 -1.134 -4.193 0.877 1.00 0.58 C ATOM 82 CG2 VAL A 5 1.214 -3.945 0.170 1.00 0.56 C ATOM 0 H VAL A 5 1.731 -7.237 0.899 1.00 0.35 H new ATOM 0 HA VAL A 5 0.809 -4.947 2.515 1.00 0.35 H new ATOM 0 HB VAL A 5 -0.038 -5.708 -0.225 1.00 0.44 H new ATOM 0 HG11 VAL A 5 -1.460 -3.662 -0.017 1.00 0.58 H new ATOM 0 HG12 VAL A 5 -1.917 -4.882 1.195 1.00 0.58 H new ATOM 0 HG13 VAL A 5 -0.936 -3.476 1.673 1.00 0.58 H new ATOM 0 HG21 VAL A 5 0.878 -3.396 -0.709 1.00 0.56 H new ATOM 0 HG22 VAL A 5 1.369 -3.250 0.995 1.00 0.56 H new ATOM 0 HG23 VAL A 5 2.151 -4.454 -0.057 1.00 0.56 H new ATOM 92 N LYS A 6 -1.052 -6.390 3.434 1.00 0.36 N ATOM 93 CA LYS A 6 -2.160 -7.155 3.916 1.00 0.39 C ATOM 94 C LYS A 6 -3.418 -6.544 3.402 1.00 0.46 C ATOM 95 O LYS A 6 -3.673 -5.347 3.526 1.00 0.53 O ATOM 96 CB LYS A 6 -2.064 -7.301 5.444 1.00 0.54 C ATOM 97 CG LYS A 6 -1.049 -8.392 5.788 1.00 1.22 C ATOM 98 CD LYS A 6 -0.913 -8.493 7.309 1.00 1.37 C ATOM 99 CE LYS A 6 -0.140 -9.707 7.829 1.00 1.93 C ATOM 100 NZ LYS A 6 -0.653 -10.983 7.284 1.00 2.09 N ATOM 0 H LYS A 6 -0.816 -5.596 4.029 1.00 0.36 H new ATOM 0 HA LYS A 6 -2.151 -8.178 3.541 1.00 0.39 H new ATOM 0 HB2 LYS A 6 -1.763 -6.354 5.892 1.00 0.54 H new ATOM 0 HB3 LYS A 6 -3.040 -7.554 5.858 1.00 0.54 H new ATOM 0 HG2 LYS A 6 -1.371 -9.348 5.376 1.00 1.22 H new ATOM 0 HG3 LYS A 6 -0.083 -8.161 5.339 1.00 1.22 H new ATOM 0 HD2 LYS A 6 -0.421 -7.590 7.672 1.00 1.37 H new ATOM 0 HD3 LYS A 6 -1.912 -8.509 7.744 1.00 1.37 H new ATOM 0 HE2 LYS A 6 0.913 -9.602 7.568 1.00 1.93 H new ATOM 0 HE3 LYS A 6 -0.198 -9.731 8.917 1.00 1.93 H new ATOM 0 HZ1 LYS A 6 -0.253 -11.777 7.824 1.00 2.09 H new ATOM 0 HZ2 LYS A 6 -1.690 -11.001 7.359 1.00 2.09 H new ATOM 0 HZ3 LYS A 6 -0.377 -11.070 6.285 1.00 2.09 H new ATOM 114 N THR A 7 -4.319 -7.379 2.854 1.00 0.58 N ATOM 115 CA THR A 7 -5.613 -7.044 2.348 1.00 0.78 C ATOM 116 C THR A 7 -6.682 -6.748 3.344 1.00 0.94 C ATOM 117 O THR A 7 -6.462 -6.515 4.531 1.00 0.99 O ATOM 118 CB THR A 7 -6.060 -8.015 1.296 1.00 0.90 C ATOM 119 OG1 THR A 7 -6.496 -9.251 1.843 1.00 0.90 O ATOM 120 CG2 THR A 7 -4.918 -8.382 0.335 1.00 0.92 C ATOM 0 H THR A 7 -4.122 -8.375 2.758 1.00 0.58 H new ATOM 0 HA THR A 7 -5.456 -6.068 1.890 1.00 0.78 H new ATOM 0 HB THR A 7 -6.875 -7.503 0.784 1.00 0.90 H new ATOM 0 HG1 THR A 7 -6.778 -9.848 1.119 1.00 0.90 H new ATOM 0 HG21 THR A 7 -5.283 -9.087 -0.412 1.00 0.92 H new ATOM 0 HG22 THR A 7 -4.557 -7.482 -0.162 1.00 0.92 H new ATOM 0 HG23 THR A 7 -4.102 -8.838 0.896 1.00 0.92 H new ATOM 128 N LEU A 8 -7.921 -6.647 2.831 1.00 1.17 N ATOM 129 CA LEU A 8 -9.159 -6.495 3.531 1.00 1.39 C ATOM 130 C LEU A 8 -9.448 -7.812 4.164 1.00 1.44 C ATOM 131 O LEU A 8 -9.467 -7.968 5.384 1.00 1.60 O ATOM 132 CB LEU A 8 -10.322 -5.917 2.707 1.00 1.66 C ATOM 133 CG LEU A 8 -10.085 -4.485 2.198 1.00 2.11 C ATOM 134 CD1 LEU A 8 -11.111 -4.196 1.089 1.00 2.53 C ATOM 135 CD2 LEU A 8 -9.988 -3.380 3.261 1.00 2.43 C ATOM 0 H LEU A 8 -8.068 -6.675 1.822 1.00 1.17 H new ATOM 0 HA LEU A 8 -9.052 -5.719 4.289 1.00 1.39 H new ATOM 0 HB2 LEU A 8 -10.506 -6.568 1.853 1.00 1.66 H new ATOM 0 HB3 LEU A 8 -11.225 -5.929 3.317 1.00 1.66 H new ATOM 0 HG LEU A 8 -9.073 -4.453 1.795 1.00 2.11 H new ATOM 0 HD11 LEU A 8 -10.963 -3.184 0.711 1.00 2.53 H new ATOM 0 HD12 LEU A 8 -10.979 -4.910 0.276 1.00 2.53 H new ATOM 0 HD13 LEU A 8 -12.119 -4.289 1.493 1.00 2.53 H new ATOM 0 HD21 LEU A 8 -9.820 -2.420 2.773 1.00 2.43 H new ATOM 0 HD22 LEU A 8 -10.916 -3.341 3.831 1.00 2.43 H new ATOM 0 HD23 LEU A 8 -9.158 -3.595 3.934 1.00 2.43 H new ATOM 147 N THR A 9 -9.611 -8.795 3.260 1.00 1.41 N ATOM 148 CA THR A 9 -9.993 -10.137 3.568 1.00 1.51 C ATOM 149 C THR A 9 -9.187 -10.950 4.522 1.00 1.37 C ATOM 150 O THR A 9 -9.700 -11.470 5.511 1.00 1.62 O ATOM 151 CB THR A 9 -10.301 -10.948 2.345 1.00 1.65 C ATOM 152 OG1 THR A 9 -9.185 -11.153 1.489 1.00 1.89 O ATOM 153 CG2 THR A 9 -11.454 -10.299 1.561 1.00 2.08 C ATOM 0 H THR A 9 -9.468 -8.644 2.261 1.00 1.41 H new ATOM 0 HA THR A 9 -10.889 -9.918 4.149 1.00 1.51 H new ATOM 0 HB THR A 9 -10.592 -11.936 2.703 1.00 1.65 H new ATOM 0 HG1 THR A 9 -9.460 -11.689 0.716 1.00 1.89 H new ATOM 0 HG21 THR A 9 -11.671 -10.894 0.674 1.00 2.08 H new ATOM 0 HG22 THR A 9 -12.341 -10.251 2.192 1.00 2.08 H new ATOM 0 HG23 THR A 9 -11.168 -9.291 1.260 1.00 2.08 H new ATOM 161 N GLY A 10 -7.882 -11.099 4.231 1.00 1.18 N ATOM 162 CA GLY A 10 -7.004 -11.822 5.097 1.00 1.22 C ATOM 163 C GLY A 10 -5.935 -12.519 4.327 1.00 0.99 C ATOM 164 O GLY A 10 -5.692 -13.700 4.571 1.00 1.31 O ATOM 0 H GLY A 10 -7.435 -10.719 3.396 1.00 1.18 H new ATOM 0 HA2 GLY A 10 -6.551 -11.137 5.813 1.00 1.22 H new ATOM 0 HA3 GLY A 10 -7.576 -12.551 5.671 1.00 1.22 H new ATOM 168 N LYS A 11 -5.312 -11.870 3.328 1.00 0.73 N ATOM 169 CA LYS A 11 -4.283 -12.312 2.438 1.00 0.60 C ATOM 170 C LYS A 11 -3.213 -11.283 2.571 1.00 0.51 C ATOM 171 O LYS A 11 -3.485 -10.119 2.858 1.00 0.63 O ATOM 172 CB LYS A 11 -4.791 -12.445 0.993 1.00 0.75 C ATOM 173 CG LYS A 11 -3.753 -13.164 0.129 1.00 0.87 C ATOM 174 CD LYS A 11 -4.319 -13.344 -1.281 1.00 1.04 C ATOM 175 CE LYS A 11 -4.422 -12.019 -2.038 1.00 1.30 C ATOM 176 NZ LYS A 11 -5.048 -12.247 -3.360 1.00 1.40 N ATOM 0 H LYS A 11 -5.568 -10.905 3.120 1.00 0.73 H new ATOM 0 HA LYS A 11 -3.921 -13.309 2.688 1.00 0.60 H new ATOM 0 HB2 LYS A 11 -5.730 -12.998 0.980 1.00 0.75 H new ATOM 0 HB3 LYS A 11 -4.996 -11.457 0.580 1.00 0.75 H new ATOM 0 HG2 LYS A 11 -2.828 -12.588 0.093 1.00 0.87 H new ATOM 0 HG3 LYS A 11 -3.508 -14.133 0.563 1.00 0.87 H new ATOM 0 HD2 LYS A 11 -3.684 -14.031 -1.840 1.00 1.04 H new ATOM 0 HD3 LYS A 11 -5.306 -13.802 -1.218 1.00 1.04 H new ATOM 0 HE2 LYS A 11 -5.013 -11.306 -1.463 1.00 1.30 H new ATOM 0 HE3 LYS A 11 -3.431 -11.583 -2.164 1.00 1.30 H new ATOM 0 HZ1 LYS A 11 -4.750 -11.500 -4.019 1.00 1.40 H new ATOM 0 HZ2 LYS A 11 -4.751 -13.173 -3.729 1.00 1.40 H new ATOM 0 HZ3 LYS A 11 -6.083 -12.229 -3.262 1.00 1.40 H new ATOM 190 N THR A 12 -1.990 -11.741 2.250 1.00 0.49 N ATOM 191 CA THR A 12 -0.787 -10.969 2.311 1.00 0.48 C ATOM 192 C THR A 12 -0.194 -11.078 0.948 1.00 0.52 C ATOM 193 O THR A 12 0.201 -12.164 0.528 1.00 0.72 O ATOM 194 CB THR A 12 0.248 -11.365 3.322 1.00 0.64 C ATOM 195 OG1 THR A 12 -0.427 -11.405 4.571 1.00 0.77 O ATOM 196 CG2 THR A 12 1.404 -10.351 3.330 1.00 0.78 C ATOM 0 H THR A 12 -1.832 -12.697 1.932 1.00 0.49 H new ATOM 0 HA THR A 12 -1.069 -9.967 2.635 1.00 0.48 H new ATOM 0 HB THR A 12 0.695 -12.333 3.094 1.00 0.64 H new ATOM 0 HG1 THR A 12 -0.423 -12.322 4.916 1.00 0.77 H new ATOM 0 HG21 THR A 12 2.147 -10.652 4.069 1.00 0.78 H new ATOM 0 HG22 THR A 12 1.866 -10.318 2.343 1.00 0.78 H new ATOM 0 HG23 THR A 12 1.020 -9.363 3.584 1.00 0.78 H new ATOM 204 N ILE A 13 -0.019 -9.960 0.220 1.00 0.48 N ATOM 205 CA ILE A 13 0.462 -9.853 -1.122 1.00 0.55 C ATOM 206 C ILE A 13 1.916 -9.579 -0.949 1.00 0.51 C ATOM 207 O ILE A 13 2.329 -8.946 0.022 1.00 0.56 O ATOM 208 CB ILE A 13 -0.134 -8.729 -1.918 1.00 0.69 C ATOM 209 CG1 ILE A 13 -1.550 -8.430 -1.397 1.00 1.15 C ATOM 210 CG2 ILE A 13 -0.086 -9.123 -3.404 1.00 1.13 C ATOM 211 CD1 ILE A 13 -2.058 -7.181 -2.116 1.00 1.55 C ATOM 0 H ILE A 13 -0.236 -9.044 0.612 1.00 0.48 H new ATOM 0 HA ILE A 13 0.207 -10.757 -1.675 1.00 0.55 H new ATOM 0 HB ILE A 13 0.429 -7.802 -1.807 1.00 0.69 H new ATOM 0 HG12 ILE A 13 -2.212 -9.275 -1.585 1.00 1.15 H new ATOM 0 HG13 ILE A 13 -1.535 -8.271 -0.319 1.00 1.15 H new ATOM 0 HG21 ILE A 13 -0.514 -8.322 -4.007 1.00 1.13 H new ATOM 0 HG22 ILE A 13 0.949 -9.289 -3.703 1.00 1.13 H new ATOM 0 HG23 ILE A 13 -0.659 -10.038 -3.557 1.00 1.13 H new ATOM 0 HD11 ILE A 13 -3.063 -6.943 -1.767 1.00 1.55 H new ATOM 0 HD12 ILE A 13 -1.393 -6.344 -1.905 1.00 1.55 H new ATOM 0 HD13 ILE A 13 -2.081 -7.364 -3.190 1.00 1.55 H new ATOM 223 N THR A 14 2.768 -10.029 -1.888 1.00 0.55 N ATOM 224 CA THR A 14 4.174 -9.774 -1.850 1.00 0.54 C ATOM 225 C THR A 14 4.485 -8.974 -3.067 1.00 0.55 C ATOM 226 O THR A 14 4.269 -9.325 -4.226 1.00 0.72 O ATOM 227 CB THR A 14 5.087 -10.960 -1.955 1.00 0.67 C ATOM 228 OG1 THR A 14 4.849 -11.964 -0.980 1.00 1.08 O ATOM 229 CG2 THR A 14 6.525 -10.529 -1.622 1.00 1.03 C ATOM 0 H THR A 14 2.472 -10.583 -2.692 1.00 0.55 H new ATOM 0 HA THR A 14 4.351 -9.315 -0.878 1.00 0.54 H new ATOM 0 HB THR A 14 4.922 -11.337 -2.964 1.00 0.67 H new ATOM 0 HG1 THR A 14 5.479 -12.703 -1.111 1.00 1.08 H new ATOM 0 HG21 THR A 14 7.190 -11.390 -1.698 1.00 1.03 H new ATOM 0 HG22 THR A 14 6.846 -9.760 -2.324 1.00 1.03 H new ATOM 0 HG23 THR A 14 6.560 -10.132 -0.608 1.00 1.03 H new ATOM 237 N LEU A 15 4.974 -7.740 -2.846 1.00 0.50 N ATOM 238 CA LEU A 15 5.204 -6.829 -3.923 1.00 0.55 C ATOM 239 C LEU A 15 6.652 -6.500 -4.050 1.00 0.52 C ATOM 240 O LEU A 15 7.345 -6.196 -3.081 1.00 0.58 O ATOM 241 CB LEU A 15 4.528 -5.494 -3.565 1.00 0.69 C ATOM 242 CG LEU A 15 2.999 -5.622 -3.681 1.00 0.76 C ATOM 243 CD1 LEU A 15 2.302 -4.255 -3.581 1.00 1.38 C ATOM 244 CD2 LEU A 15 2.403 -6.248 -4.953 1.00 1.55 C ATOM 0 H LEU A 15 5.209 -7.374 -1.923 1.00 0.50 H new ATOM 0 HA LEU A 15 4.827 -7.287 -4.838 1.00 0.55 H new ATOM 0 HB2 LEU A 15 4.799 -5.202 -2.551 1.00 0.69 H new ATOM 0 HB3 LEU A 15 4.885 -4.708 -4.230 1.00 0.69 H new ATOM 0 HG LEU A 15 2.814 -6.305 -2.852 1.00 0.76 H new ATOM 0 HD11 LEU A 15 1.224 -4.389 -3.668 1.00 1.38 H new ATOM 0 HD12 LEU A 15 2.535 -3.797 -2.619 1.00 1.38 H new ATOM 0 HD13 LEU A 15 2.653 -3.608 -4.385 1.00 1.38 H new ATOM 0 HD21 LEU A 15 1.316 -6.264 -4.876 1.00 1.55 H new ATOM 0 HD22 LEU A 15 2.696 -5.658 -5.821 1.00 1.55 H new ATOM 0 HD23 LEU A 15 2.774 -7.267 -5.065 1.00 1.55 H new ATOM 256 N GLU A 16 7.094 -6.463 -5.320 1.00 0.59 N ATOM 257 CA GLU A 16 8.371 -6.000 -5.768 1.00 0.63 C ATOM 258 C GLU A 16 8.424 -4.561 -6.151 1.00 0.65 C ATOM 259 O GLU A 16 7.822 -4.142 -7.138 1.00 0.81 O ATOM 260 CB GLU A 16 8.900 -6.764 -6.993 1.00 0.76 C ATOM 261 CG GLU A 16 8.971 -8.281 -6.801 1.00 1.41 C ATOM 262 CD GLU A 16 9.628 -8.990 -7.976 1.00 1.52 C ATOM 263 OE1 GLU A 16 9.183 -9.003 -9.155 1.00 1.92 O ATOM 264 OE2 GLU A 16 10.743 -9.536 -7.763 1.00 1.95 O ATOM 0 H GLU A 16 6.511 -6.783 -6.094 1.00 0.59 H new ATOM 0 HA GLU A 16 8.984 -6.173 -4.884 1.00 0.63 H new ATOM 0 HB2 GLU A 16 8.260 -6.546 -7.848 1.00 0.76 H new ATOM 0 HB3 GLU A 16 9.895 -6.393 -7.237 1.00 0.76 H new ATOM 0 HG2 GLU A 16 9.528 -8.502 -5.890 1.00 1.41 H new ATOM 0 HG3 GLU A 16 7.964 -8.673 -6.662 1.00 1.41 H new ATOM 271 N VAL A 17 9.041 -3.700 -5.322 1.00 0.61 N ATOM 272 CA VAL A 17 9.056 -2.278 -5.468 1.00 0.63 C ATOM 273 C VAL A 17 10.469 -1.811 -5.413 1.00 0.65 C ATOM 274 O VAL A 17 11.432 -2.487 -5.054 1.00 0.76 O ATOM 275 CB VAL A 17 8.220 -1.582 -4.435 1.00 0.70 C ATOM 276 CG1 VAL A 17 6.703 -1.722 -4.646 1.00 0.96 C ATOM 277 CG2 VAL A 17 8.672 -2.098 -3.057 1.00 0.92 C ATOM 0 H VAL A 17 9.559 -4.016 -4.502 1.00 0.61 H new ATOM 0 HA VAL A 17 8.613 -2.025 -6.431 1.00 0.63 H new ATOM 0 HB VAL A 17 8.383 -0.508 -4.519 1.00 0.70 H new ATOM 0 HG11 VAL A 17 6.175 -1.189 -3.855 1.00 0.96 H new ATOM 0 HG12 VAL A 17 6.430 -1.300 -5.613 1.00 0.96 H new ATOM 0 HG13 VAL A 17 6.428 -2.776 -4.620 1.00 0.96 H new ATOM 0 HG21 VAL A 17 8.085 -1.613 -2.277 1.00 0.92 H new ATOM 0 HG22 VAL A 17 8.523 -3.177 -3.006 1.00 0.92 H new ATOM 0 HG23 VAL A 17 9.728 -1.870 -2.911 1.00 0.92 H new ATOM 287 N GLU A 18 10.727 -0.542 -5.779 1.00 0.68 N ATOM 288 CA GLU A 18 11.950 0.110 -5.427 1.00 0.74 C ATOM 289 C GLU A 18 11.644 1.163 -4.417 1.00 0.71 C ATOM 290 O GLU A 18 10.479 1.550 -4.340 1.00 0.74 O ATOM 291 CB GLU A 18 12.685 0.601 -6.685 1.00 0.88 C ATOM 292 CG GLU A 18 12.224 1.865 -7.412 1.00 1.16 C ATOM 293 CD GLU A 18 13.093 2.382 -8.550 1.00 1.71 C ATOM 294 OE1 GLU A 18 12.925 2.078 -9.762 1.00 2.35 O ATOM 295 OE2 GLU A 18 13.932 3.284 -8.283 1.00 2.33 O ATOM 0 H GLU A 18 10.084 0.035 -6.322 1.00 0.68 H new ATOM 0 HA GLU A 18 12.654 -0.578 -4.959 1.00 0.74 H new ATOM 0 HB2 GLU A 18 13.729 0.752 -6.409 1.00 0.88 H new ATOM 0 HB3 GLU A 18 12.661 -0.213 -7.409 1.00 0.88 H new ATOM 0 HG2 GLU A 18 11.226 1.679 -7.810 1.00 1.16 H new ATOM 0 HG3 GLU A 18 12.129 2.661 -6.674 1.00 1.16 H new ATOM 302 N PRO A 19 12.522 1.715 -3.634 1.00 0.74 N ATOM 303 CA PRO A 19 12.186 2.685 -2.633 1.00 0.74 C ATOM 304 C PRO A 19 11.838 4.019 -3.199 1.00 0.70 C ATOM 305 O PRO A 19 11.330 4.902 -2.511 1.00 0.74 O ATOM 306 CB PRO A 19 13.503 2.895 -1.890 1.00 0.86 C ATOM 307 CG PRO A 19 14.313 1.608 -2.114 1.00 0.95 C ATOM 308 CD PRO A 19 13.869 1.174 -3.520 1.00 0.82 C ATOM 0 HA PRO A 19 11.335 2.334 -2.050 1.00 0.74 H new ATOM 0 HB2 PRO A 19 14.035 3.765 -2.274 1.00 0.86 H new ATOM 0 HB3 PRO A 19 13.331 3.070 -0.828 1.00 0.86 H new ATOM 0 HG2 PRO A 19 15.386 1.791 -2.066 1.00 0.95 H new ATOM 0 HG3 PRO A 19 14.085 0.850 -1.365 1.00 0.95 H new ATOM 0 HD2 PRO A 19 14.528 1.574 -4.290 1.00 0.82 H new ATOM 0 HD3 PRO A 19 13.876 0.089 -3.626 1.00 0.82 H new ATOM 316 N SER A 20 12.112 4.239 -4.498 1.00 0.70 N ATOM 317 CA SER A 20 11.777 5.409 -5.247 1.00 0.74 C ATOM 318 C SER A 20 10.373 5.297 -5.736 1.00 0.71 C ATOM 319 O SER A 20 9.912 6.320 -6.238 1.00 0.80 O ATOM 320 CB SER A 20 12.787 5.738 -6.360 1.00 0.89 C ATOM 321 OG SER A 20 14.126 5.639 -5.900 1.00 1.45 O ATOM 0 H SER A 20 12.604 3.547 -5.064 1.00 0.70 H new ATOM 0 HA SER A 20 11.841 6.269 -4.580 1.00 0.74 H new ATOM 0 HB2 SER A 20 12.639 5.057 -7.198 1.00 0.89 H new ATOM 0 HB3 SER A 20 12.603 6.746 -6.732 1.00 0.89 H new ATOM 0 HG SER A 20 14.740 5.853 -6.633 1.00 1.45 H new ATOM 327 N ASP A 21 9.625 4.182 -5.650 1.00 0.70 N ATOM 328 CA ASP A 21 8.271 4.166 -6.110 1.00 0.73 C ATOM 329 C ASP A 21 7.376 4.901 -5.172 1.00 0.64 C ATOM 330 O ASP A 21 7.682 5.048 -3.990 1.00 0.66 O ATOM 331 CB ASP A 21 7.947 2.668 -6.241 1.00 0.87 C ATOM 332 CG ASP A 21 8.652 1.900 -7.350 1.00 1.05 C ATOM 333 OD1 ASP A 21 8.935 2.566 -8.380 1.00 1.69 O ATOM 334 OD2 ASP A 21 8.800 0.649 -7.296 1.00 1.50 O ATOM 0 H ASP A 21 9.955 3.297 -5.265 1.00 0.70 H new ATOM 0 HA ASP A 21 8.122 4.681 -7.059 1.00 0.73 H new ATOM 0 HB2 ASP A 21 8.185 2.186 -5.292 1.00 0.87 H new ATOM 0 HB3 ASP A 21 6.872 2.566 -6.390 1.00 0.87 H new ATOM 339 N THR A 22 6.225 5.408 -5.647 1.00 0.63 N ATOM 340 CA THR A 22 5.296 6.183 -4.885 1.00 0.58 C ATOM 341 C THR A 22 4.211 5.314 -4.349 1.00 0.53 C ATOM 342 O THR A 22 4.057 4.179 -4.800 1.00 0.58 O ATOM 343 CB THR A 22 4.710 7.319 -5.670 1.00 0.63 C ATOM 344 OG1 THR A 22 3.987 6.999 -6.848 1.00 0.70 O ATOM 345 CG2 THR A 22 5.896 8.206 -6.088 1.00 0.75 C ATOM 0 H THR A 22 5.927 5.270 -6.613 1.00 0.63 H new ATOM 0 HA THR A 22 5.854 6.620 -4.057 1.00 0.58 H new ATOM 0 HB THR A 22 3.971 7.780 -5.014 1.00 0.63 H new ATOM 0 HG1 THR A 22 4.508 6.372 -7.391 1.00 0.70 H new ATOM 0 HG21 THR A 22 5.530 9.055 -6.666 1.00 0.75 H new ATOM 0 HG22 THR A 22 6.411 8.568 -5.198 1.00 0.75 H new ATOM 0 HG23 THR A 22 6.589 7.624 -6.696 1.00 0.75 H new ATOM 353 N ILE A 23 3.462 5.838 -3.363 1.00 0.51 N ATOM 354 CA ILE A 23 2.326 5.196 -2.778 1.00 0.48 C ATOM 355 C ILE A 23 1.238 4.973 -3.770 1.00 0.48 C ATOM 356 O ILE A 23 0.609 3.917 -3.738 1.00 0.51 O ATOM 357 CB ILE A 23 1.780 5.900 -1.571 1.00 0.52 C ATOM 358 CG1 ILE A 23 2.852 5.795 -0.471 1.00 0.60 C ATOM 359 CG2 ILE A 23 0.478 5.296 -1.020 1.00 0.61 C ATOM 360 CD1 ILE A 23 3.104 4.447 0.202 1.00 0.73 C ATOM 0 H ILE A 23 3.658 6.752 -2.955 1.00 0.51 H new ATOM 0 HA ILE A 23 2.703 4.231 -2.438 1.00 0.48 H new ATOM 0 HB ILE A 23 1.545 6.923 -1.866 1.00 0.52 H new ATOM 0 HG12 ILE A 23 3.797 6.128 -0.901 1.00 0.60 H new ATOM 0 HG13 ILE A 23 2.590 6.507 0.311 1.00 0.60 H new ATOM 0 HG21 ILE A 23 0.153 5.865 -0.149 1.00 0.61 H new ATOM 0 HG22 ILE A 23 -0.295 5.335 -1.788 1.00 0.61 H new ATOM 0 HG23 ILE A 23 0.651 4.259 -0.732 1.00 0.61 H new ATOM 0 HD11 ILE A 23 3.889 4.555 0.950 1.00 0.73 H new ATOM 0 HD12 ILE A 23 2.188 4.104 0.684 1.00 0.73 H new ATOM 0 HD13 ILE A 23 3.414 3.719 -0.547 1.00 0.73 H new ATOM 372 N GLU A 24 1.044 5.813 -4.804 1.00 0.50 N ATOM 373 CA GLU A 24 0.342 5.717 -6.045 1.00 0.53 C ATOM 374 C GLU A 24 0.800 4.612 -6.933 1.00 0.50 C ATOM 375 O GLU A 24 -0.011 3.775 -7.327 1.00 0.55 O ATOM 376 CB GLU A 24 0.313 7.071 -6.774 1.00 0.64 C ATOM 377 CG GLU A 24 -0.730 7.121 -7.893 1.00 0.95 C ATOM 378 CD GLU A 24 -0.440 8.143 -8.982 1.00 1.05 C ATOM 379 OE1 GLU A 24 0.361 9.075 -8.703 1.00 1.62 O ATOM 380 OE2 GLU A 24 -1.054 8.063 -10.079 1.00 1.56 O ATOM 0 H GLU A 24 1.469 6.738 -4.745 1.00 0.50 H new ATOM 0 HA GLU A 24 -0.680 5.447 -5.781 1.00 0.53 H new ATOM 0 HB2 GLU A 24 0.104 7.862 -6.053 1.00 0.64 H new ATOM 0 HB3 GLU A 24 1.299 7.274 -7.193 1.00 0.64 H new ATOM 0 HG2 GLU A 24 -0.802 6.134 -8.349 1.00 0.95 H new ATOM 0 HG3 GLU A 24 -1.703 7.342 -7.455 1.00 0.95 H new ATOM 387 N ASN A 25 2.100 4.388 -7.195 1.00 0.51 N ATOM 388 CA ASN A 25 2.596 3.331 -8.021 1.00 0.52 C ATOM 389 C ASN A 25 2.284 2.052 -7.323 1.00 0.47 C ATOM 390 O ASN A 25 1.821 1.114 -7.970 1.00 0.53 O ATOM 391 CB ASN A 25 4.119 3.204 -8.193 1.00 0.64 C ATOM 392 CG ASN A 25 4.691 4.353 -9.011 1.00 1.23 C ATOM 393 OD1 ASN A 25 5.540 5.022 -8.426 1.00 2.13 O ATOM 394 ND2 ASN A 25 4.158 4.582 -10.242 1.00 1.57 N ATOM 0 H ASN A 25 2.842 4.973 -6.812 1.00 0.51 H new ATOM 0 HA ASN A 25 2.145 3.541 -8.991 1.00 0.52 H new ATOM 0 HB2 ASN A 25 4.595 3.183 -7.213 1.00 0.64 H new ATOM 0 HB3 ASN A 25 4.352 2.258 -8.682 1.00 0.64 H new ATOM 0 HD21 ASN A 25 4.462 5.389 -10.787 1.00 1.57 H new ATOM 0 HD22 ASN A 25 3.455 3.947 -10.619 1.00 1.57 H new ATOM 401 N VAL A 26 2.345 1.852 -5.994 1.00 0.45 N ATOM 402 CA VAL A 26 1.965 0.627 -5.361 1.00 0.44 C ATOM 403 C VAL A 26 0.516 0.288 -5.314 1.00 0.40 C ATOM 404 O VAL A 26 0.084 -0.864 -5.367 1.00 0.44 O ATOM 405 CB VAL A 26 2.371 0.674 -3.918 1.00 0.50 C ATOM 406 CG1 VAL A 26 2.061 -0.537 -3.021 1.00 0.60 C ATOM 407 CG2 VAL A 26 3.877 0.887 -3.687 1.00 0.62 C ATOM 0 H VAL A 26 2.669 2.565 -5.340 1.00 0.45 H new ATOM 0 HA VAL A 26 2.459 -0.119 -5.984 1.00 0.44 H new ATOM 0 HB VAL A 26 1.742 1.518 -3.634 1.00 0.50 H new ATOM 0 HG11 VAL A 26 2.419 -0.342 -2.010 1.00 0.60 H new ATOM 0 HG12 VAL A 26 0.985 -0.707 -2.998 1.00 0.60 H new ATOM 0 HG13 VAL A 26 2.560 -1.421 -3.418 1.00 0.60 H new ATOM 0 HG21 VAL A 26 4.082 0.908 -2.617 1.00 0.62 H new ATOM 0 HG22 VAL A 26 4.435 0.071 -4.147 1.00 0.62 H new ATOM 0 HG23 VAL A 26 4.183 1.833 -4.134 1.00 0.62 H new ATOM 417 N LYS A 27 -0.347 1.318 -5.358 1.00 0.40 N ATOM 418 CA LYS A 27 -1.769 1.159 -5.343 1.00 0.41 C ATOM 419 C LYS A 27 -2.128 0.850 -6.755 1.00 0.38 C ATOM 420 O LYS A 27 -3.064 0.088 -6.993 1.00 0.42 O ATOM 421 CB LYS A 27 -2.505 2.370 -4.746 1.00 0.51 C ATOM 422 CG LYS A 27 -2.299 2.518 -3.236 1.00 0.76 C ATOM 423 CD LYS A 27 -2.881 3.786 -2.608 1.00 0.82 C ATOM 424 CE LYS A 27 -2.895 5.135 -3.329 1.00 1.22 C ATOM 425 NZ LYS A 27 -3.782 6.096 -2.636 1.00 1.11 N ATOM 0 H LYS A 27 -0.047 2.292 -5.405 1.00 0.40 H new ATOM 0 HA LYS A 27 -2.088 0.355 -4.680 1.00 0.41 H new ATOM 0 HB2 LYS A 27 -2.161 3.277 -5.243 1.00 0.51 H new ATOM 0 HB3 LYS A 27 -3.571 2.277 -4.953 1.00 0.51 H new ATOM 0 HG2 LYS A 27 -2.742 1.654 -2.741 1.00 0.76 H new ATOM 0 HG3 LYS A 27 -1.229 2.490 -3.029 1.00 0.76 H new ATOM 0 HD2 LYS A 27 -3.916 3.559 -2.353 1.00 0.82 H new ATOM 0 HD3 LYS A 27 -2.348 3.941 -1.670 1.00 0.82 H new ATOM 0 HE2 LYS A 27 -1.883 5.537 -3.376 1.00 1.22 H new ATOM 0 HE3 LYS A 27 -3.232 4.999 -4.357 1.00 1.22 H new ATOM 0 HZ1 LYS A 27 -3.923 6.934 -3.236 1.00 1.11 H new ATOM 0 HZ2 LYS A 27 -4.701 5.647 -2.447 1.00 1.11 H new ATOM 0 HZ3 LYS A 27 -3.346 6.384 -1.737 1.00 1.11 H new ATOM 439 N ALA A 28 -1.466 1.349 -7.814 1.00 0.39 N ATOM 440 CA ALA A 28 -1.675 0.971 -9.177 1.00 0.39 C ATOM 441 C ALA A 28 -1.171 -0.406 -9.443 1.00 0.36 C ATOM 442 O ALA A 28 -1.834 -1.045 -10.260 1.00 0.42 O ATOM 443 CB ALA A 28 -0.987 2.025 -10.060 1.00 0.51 C ATOM 0 H ALA A 28 -0.741 2.059 -7.712 1.00 0.39 H new ATOM 0 HA ALA A 28 -2.740 0.941 -9.406 1.00 0.39 H new ATOM 0 HB1 ALA A 28 -1.127 1.767 -11.110 1.00 0.51 H new ATOM 0 HB2 ALA A 28 -1.424 3.004 -9.865 1.00 0.51 H new ATOM 0 HB3 ALA A 28 0.078 2.052 -9.832 1.00 0.51 H new ATOM 449 N LYS A 29 -0.112 -0.867 -8.755 1.00 0.39 N ATOM 450 CA LYS A 29 0.381 -2.209 -8.772 1.00 0.43 C ATOM 451 C LYS A 29 -0.610 -3.122 -8.136 1.00 0.44 C ATOM 452 O LYS A 29 -0.744 -4.271 -8.552 1.00 0.54 O ATOM 453 CB LYS A 29 1.775 -2.241 -8.122 1.00 0.54 C ATOM 454 CG LYS A 29 2.545 -3.554 -8.284 1.00 0.65 C ATOM 455 CD LYS A 29 3.786 -3.660 -7.396 1.00 1.08 C ATOM 456 CE LYS A 29 4.854 -2.576 -7.555 1.00 1.24 C ATOM 457 NZ LYS A 29 5.514 -2.500 -8.878 1.00 1.44 N ATOM 0 H LYS A 29 0.437 -0.260 -8.146 1.00 0.39 H new ATOM 0 HA LYS A 29 0.504 -2.571 -9.793 1.00 0.43 H new ATOM 0 HB2 LYS A 29 2.373 -1.434 -8.545 1.00 0.54 H new ATOM 0 HB3 LYS A 29 1.666 -2.032 -7.058 1.00 0.54 H new ATOM 0 HG2 LYS A 29 1.877 -4.385 -8.058 1.00 0.65 H new ATOM 0 HG3 LYS A 29 2.846 -3.661 -9.326 1.00 0.65 H new ATOM 0 HD2 LYS A 29 3.458 -3.662 -6.356 1.00 1.08 H new ATOM 0 HD3 LYS A 29 4.254 -4.626 -7.584 1.00 1.08 H new ATOM 0 HE2 LYS A 29 4.396 -1.610 -7.344 1.00 1.24 H new ATOM 0 HE3 LYS A 29 5.621 -2.737 -6.798 1.00 1.24 H new ATOM 0 HZ1 LYS A 29 6.217 -1.733 -8.872 1.00 1.44 H new ATOM 0 HZ2 LYS A 29 5.988 -3.403 -9.082 1.00 1.44 H new ATOM 0 HZ3 LYS A 29 4.801 -2.311 -9.611 1.00 1.44 H new ATOM 471 N ILE A 30 -1.472 -2.724 -7.183 1.00 0.41 N ATOM 472 CA ILE A 30 -2.571 -3.485 -6.675 1.00 0.44 C ATOM 473 C ILE A 30 -3.739 -3.549 -7.597 1.00 0.45 C ATOM 474 O ILE A 30 -4.529 -4.481 -7.460 1.00 0.56 O ATOM 475 CB ILE A 30 -2.831 -3.020 -5.274 1.00 0.45 C ATOM 476 CG1 ILE A 30 -1.629 -3.439 -4.411 1.00 0.52 C ATOM 477 CG2 ILE A 30 -4.080 -3.643 -4.627 1.00 0.56 C ATOM 478 CD1 ILE A 30 -1.564 -2.972 -2.957 1.00 1.32 C ATOM 0 H ILE A 30 -1.395 -1.809 -6.738 1.00 0.41 H new ATOM 0 HA ILE A 30 -2.320 -4.544 -6.623 1.00 0.44 H new ATOM 0 HB ILE A 30 -2.987 -1.942 -5.325 1.00 0.45 H new ATOM 0 HG12 ILE A 30 -1.589 -4.528 -4.409 1.00 0.52 H new ATOM 0 HG13 ILE A 30 -0.726 -3.087 -4.911 1.00 0.52 H new ATOM 0 HG21 ILE A 30 -4.198 -3.255 -3.615 1.00 0.56 H new ATOM 0 HG22 ILE A 30 -4.960 -3.389 -5.217 1.00 0.56 H new ATOM 0 HG23 ILE A 30 -3.968 -4.727 -4.589 1.00 0.56 H new ATOM 0 HD11 ILE A 30 -0.655 -3.354 -2.492 1.00 1.32 H new ATOM 0 HD12 ILE A 30 -1.557 -1.882 -2.925 1.00 1.32 H new ATOM 0 HD13 ILE A 30 -2.433 -3.346 -2.416 1.00 1.32 H new ATOM 490 N GLN A 31 -3.851 -2.653 -8.595 1.00 0.41 N ATOM 491 CA GLN A 31 -4.788 -2.796 -9.666 1.00 0.48 C ATOM 492 C GLN A 31 -4.437 -3.938 -10.556 1.00 0.52 C ATOM 493 O GLN A 31 -5.327 -4.588 -11.102 1.00 0.66 O ATOM 494 CB GLN A 31 -4.921 -1.473 -10.438 1.00 0.52 C ATOM 495 CG GLN A 31 -6.260 -1.259 -11.148 1.00 0.70 C ATOM 496 CD GLN A 31 -6.314 0.158 -11.700 1.00 0.97 C ATOM 497 OE1 GLN A 31 -7.410 0.682 -11.896 1.00 1.70 O ATOM 498 NE2 GLN A 31 -5.141 0.725 -12.093 1.00 1.43 N ATOM 0 H GLN A 31 -3.278 -1.811 -8.659 1.00 0.41 H new ATOM 0 HA GLN A 31 -5.764 -3.031 -9.241 1.00 0.48 H new ATOM 0 HB2 GLN A 31 -4.762 -0.649 -9.743 1.00 0.52 H new ATOM 0 HB3 GLN A 31 -4.124 -1.423 -11.180 1.00 0.52 H new ATOM 0 HG2 GLN A 31 -6.376 -1.981 -11.956 1.00 0.70 H new ATOM 0 HG3 GLN A 31 -7.084 -1.423 -10.453 1.00 0.70 H new ATOM 0 HE21 GLN A 31 -4.258 0.250 -11.907 1.00 1.43 H new ATOM 0 HE22 GLN A 31 -5.145 1.625 -12.574 1.00 1.43 H new ATOM 507 N ASP A 32 -3.172 -4.366 -10.715 1.00 0.50 N ATOM 508 CA ASP A 32 -2.932 -5.637 -11.325 1.00 0.60 C ATOM 509 C ASP A 32 -3.378 -6.770 -10.467 1.00 0.65 C ATOM 510 O ASP A 32 -3.904 -7.778 -10.939 1.00 0.81 O ATOM 511 CB ASP A 32 -1.424 -5.644 -11.626 1.00 0.67 C ATOM 512 CG ASP A 32 -1.158 -4.621 -12.721 1.00 0.91 C ATOM 513 OD1 ASP A 32 -1.690 -4.747 -13.857 1.00 1.55 O ATOM 514 OD2 ASP A 32 -0.366 -3.666 -12.501 1.00 1.51 O ATOM 0 H ASP A 32 -2.338 -3.851 -10.431 1.00 0.50 H new ATOM 0 HA ASP A 32 -3.512 -5.777 -12.237 1.00 0.60 H new ATOM 0 HB2 ASP A 32 -0.855 -5.399 -10.729 1.00 0.67 H new ATOM 0 HB3 ASP A 32 -1.104 -6.636 -11.945 1.00 0.67 H new ATOM 519 N LYS A 33 -2.944 -6.798 -9.195 1.00 0.62 N ATOM 520 CA LYS A 33 -3.212 -7.864 -8.281 1.00 0.73 C ATOM 521 C LYS A 33 -4.619 -8.030 -7.820 1.00 0.69 C ATOM 522 O LYS A 33 -5.258 -8.936 -8.351 1.00 0.83 O ATOM 523 CB LYS A 33 -2.386 -7.675 -6.996 1.00 0.85 C ATOM 524 CG LYS A 33 -0.918 -7.262 -7.114 1.00 1.31 C ATOM 525 CD LYS A 33 -0.016 -8.395 -7.610 1.00 1.71 C ATOM 526 CE LYS A 33 1.270 -7.734 -8.110 1.00 2.26 C ATOM 527 NZ LYS A 33 2.334 -8.755 -8.235 1.00 2.62 N ATOM 0 H LYS A 33 -2.385 -6.049 -8.787 1.00 0.62 H new ATOM 0 HA LYS A 33 -2.956 -8.745 -8.869 1.00 0.73 H new ATOM 0 HB2 LYS A 33 -2.891 -6.925 -6.387 1.00 0.85 H new ATOM 0 HB3 LYS A 33 -2.421 -8.613 -6.441 1.00 0.85 H new ATOM 0 HG2 LYS A 33 -0.838 -6.416 -7.797 1.00 1.31 H new ATOM 0 HG3 LYS A 33 -0.563 -6.921 -6.141 1.00 1.31 H new ATOM 0 HD2 LYS A 33 0.197 -9.102 -6.808 1.00 1.71 H new ATOM 0 HD3 LYS A 33 -0.501 -8.956 -8.409 1.00 1.71 H new ATOM 0 HE2 LYS A 33 1.095 -7.256 -9.074 1.00 2.26 H new ATOM 0 HE3 LYS A 33 1.582 -6.951 -7.418 1.00 2.26 H new ATOM 0 HZ1 LYS A 33 3.208 -8.306 -8.575 1.00 2.62 H new ATOM 0 HZ2 LYS A 33 2.507 -9.191 -7.307 1.00 2.62 H new ATOM 0 HZ3 LYS A 33 2.035 -9.487 -8.911 1.00 2.62 H new ATOM 541 N GLU A 34 -5.126 -7.170 -6.918 1.00 0.63 N ATOM 542 CA GLU A 34 -6.447 -7.334 -6.394 1.00 0.67 C ATOM 543 C GLU A 34 -7.484 -6.615 -7.186 1.00 0.69 C ATOM 544 O GLU A 34 -8.668 -6.937 -7.094 1.00 0.95 O ATOM 545 CB GLU A 34 -6.493 -6.929 -4.911 1.00 0.73 C ATOM 546 CG GLU A 34 -5.395 -7.649 -4.125 1.00 0.83 C ATOM 547 CD GLU A 34 -5.736 -9.132 -4.106 1.00 0.95 C ATOM 548 OE1 GLU A 34 -6.885 -9.431 -3.685 1.00 1.37 O ATOM 549 OE2 GLU A 34 -4.932 -9.995 -4.551 1.00 1.48 O ATOM 0 H GLU A 34 -4.622 -6.362 -6.552 1.00 0.63 H new ATOM 0 HA GLU A 34 -6.690 -8.393 -6.476 1.00 0.67 H new ATOM 0 HB2 GLU A 34 -6.367 -5.850 -4.818 1.00 0.73 H new ATOM 0 HB3 GLU A 34 -7.469 -7.173 -4.491 1.00 0.73 H new ATOM 0 HG2 GLU A 34 -4.423 -7.486 -4.590 1.00 0.83 H new ATOM 0 HG3 GLU A 34 -5.332 -7.258 -3.109 1.00 0.83 H new ATOM 556 N GLY A 35 -7.052 -5.682 -8.054 1.00 0.63 N ATOM 557 CA GLY A 35 -7.964 -5.147 -9.017 1.00 0.68 C ATOM 558 C GLY A 35 -8.868 -4.068 -8.530 1.00 0.76 C ATOM 559 O GLY A 35 -10.065 -4.113 -8.810 1.00 1.12 O ATOM 0 H GLY A 35 -6.104 -5.308 -8.091 1.00 0.63 H new ATOM 0 HA2 GLY A 35 -7.388 -4.760 -9.858 1.00 0.68 H new ATOM 0 HA3 GLY A 35 -8.577 -5.963 -9.400 1.00 0.68 H new ATOM 563 N ILE A 36 -8.326 -3.048 -7.840 1.00 0.70 N ATOM 564 CA ILE A 36 -9.026 -1.970 -7.215 1.00 0.76 C ATOM 565 C ILE A 36 -8.450 -0.694 -7.729 1.00 0.71 C ATOM 566 O ILE A 36 -7.235 -0.647 -7.917 1.00 0.73 O ATOM 567 CB ILE A 36 -8.903 -1.989 -5.720 1.00 0.88 C ATOM 568 CG1 ILE A 36 -9.476 -3.273 -5.097 1.00 0.91 C ATOM 569 CG2 ILE A 36 -9.639 -0.829 -5.029 1.00 1.55 C ATOM 570 CD1 ILE A 36 -9.299 -3.398 -3.584 1.00 1.16 C ATOM 0 H ILE A 36 -7.317 -2.973 -7.710 1.00 0.70 H new ATOM 0 HA ILE A 36 -10.085 -2.068 -7.452 1.00 0.76 H new ATOM 0 HB ILE A 36 -7.828 -1.911 -5.556 1.00 0.88 H new ATOM 0 HG12 ILE A 36 -10.540 -3.326 -5.328 1.00 0.91 H new ATOM 0 HG13 ILE A 36 -9.003 -4.131 -5.574 1.00 0.91 H new ATOM 0 HG21 ILE A 36 -9.507 -0.906 -3.950 1.00 1.55 H new ATOM 0 HG22 ILE A 36 -9.231 0.120 -5.378 1.00 1.55 H new ATOM 0 HG23 ILE A 36 -10.701 -0.877 -5.269 1.00 1.55 H new ATOM 0 HD11 ILE A 36 -9.736 -4.336 -3.243 1.00 1.16 H new ATOM 0 HD12 ILE A 36 -8.237 -3.382 -3.339 1.00 1.16 H new ATOM 0 HD13 ILE A 36 -9.798 -2.564 -3.089 1.00 1.16 H new ATOM 582 N PRO A 37 -9.071 0.401 -8.050 1.00 0.75 N ATOM 583 CA PRO A 37 -8.477 1.561 -8.646 1.00 0.79 C ATOM 584 C PRO A 37 -7.542 2.257 -7.718 1.00 0.75 C ATOM 585 O PRO A 37 -7.949 2.202 -6.559 1.00 0.75 O ATOM 586 CB PRO A 37 -9.685 2.442 -8.957 1.00 0.95 C ATOM 587 CG PRO A 37 -10.836 1.468 -9.254 1.00 1.02 C ATOM 588 CD PRO A 37 -10.514 0.366 -8.232 1.00 0.85 C ATOM 0 HA PRO A 37 -7.873 1.316 -9.519 1.00 0.79 H new ATOM 0 HB2 PRO A 37 -9.926 3.090 -8.114 1.00 0.95 H new ATOM 0 HB3 PRO A 37 -9.489 3.090 -9.811 1.00 0.95 H new ATOM 0 HG2 PRO A 37 -11.816 1.917 -9.090 1.00 1.02 H new ATOM 0 HG3 PRO A 37 -10.820 1.103 -10.281 1.00 1.02 H new ATOM 0 HD2 PRO A 37 -11.031 0.544 -7.289 1.00 0.85 H new ATOM 0 HD3 PRO A 37 -10.839 -0.610 -8.594 1.00 0.85 H new ATOM 596 N PRO A 38 -6.486 2.945 -8.034 1.00 0.81 N ATOM 597 CA PRO A 38 -5.642 3.582 -7.065 1.00 0.85 C ATOM 598 C PRO A 38 -6.216 4.635 -6.181 1.00 0.89 C ATOM 599 O PRO A 38 -5.743 4.631 -5.046 1.00 0.99 O ATOM 600 CB PRO A 38 -4.289 3.876 -7.708 1.00 1.01 C ATOM 601 CG PRO A 38 -4.679 3.991 -9.191 1.00 1.25 C ATOM 602 CD PRO A 38 -5.918 3.097 -9.365 1.00 0.98 C ATOM 0 HA PRO A 38 -5.503 2.857 -6.263 1.00 0.85 H new ATOM 0 HB2 PRO A 38 -3.844 4.795 -7.327 1.00 1.01 H new ATOM 0 HB3 PRO A 38 -3.568 3.077 -7.533 1.00 1.01 H new ATOM 0 HG2 PRO A 38 -4.901 5.024 -9.459 1.00 1.25 H new ATOM 0 HG3 PRO A 38 -3.865 3.662 -9.837 1.00 1.25 H new ATOM 0 HD2 PRO A 38 -6.636 3.552 -10.047 1.00 0.98 H new ATOM 0 HD3 PRO A 38 -5.646 2.130 -9.787 1.00 0.98 H new ATOM 610 N ASP A 39 -7.111 5.507 -6.683 1.00 0.96 N ATOM 611 CA ASP A 39 -7.757 6.585 -6.003 1.00 1.11 C ATOM 612 C ASP A 39 -8.528 6.171 -4.796 1.00 1.00 C ATOM 613 O ASP A 39 -8.657 6.860 -3.786 1.00 1.14 O ATOM 614 CB ASP A 39 -8.763 7.376 -6.857 1.00 1.39 C ATOM 615 CG ASP A 39 -7.930 8.041 -7.945 1.00 1.73 C ATOM 616 OD1 ASP A 39 -7.276 9.104 -7.776 1.00 2.25 O ATOM 617 OD2 ASP A 39 -7.910 7.485 -9.075 1.00 2.23 O ATOM 0 H ASP A 39 -7.408 5.448 -7.657 1.00 0.96 H new ATOM 0 HA ASP A 39 -6.899 7.203 -5.739 1.00 1.11 H new ATOM 0 HB2 ASP A 39 -9.518 6.717 -7.287 1.00 1.39 H new ATOM 0 HB3 ASP A 39 -9.291 8.117 -6.257 1.00 1.39 H new ATOM 622 N GLN A 40 -9.147 4.984 -4.928 1.00 0.87 N ATOM 623 CA GLN A 40 -9.990 4.428 -3.915 1.00 0.84 C ATOM 624 C GLN A 40 -9.308 3.729 -2.790 1.00 0.67 C ATOM 625 O GLN A 40 -9.907 3.380 -1.773 1.00 0.80 O ATOM 626 CB GLN A 40 -10.983 3.484 -4.615 1.00 0.95 C ATOM 627 CG GLN A 40 -11.946 4.207 -5.559 1.00 1.32 C ATOM 628 CD GLN A 40 -13.069 3.299 -6.037 1.00 1.48 C ATOM 629 OE1 GLN A 40 -13.145 2.089 -5.823 1.00 1.70 O ATOM 630 NE2 GLN A 40 -14.176 3.936 -6.502 1.00 2.02 N ATOM 0 H GLN A 40 -9.060 4.397 -5.758 1.00 0.87 H new ATOM 0 HA GLN A 40 -10.477 5.269 -3.421 1.00 0.84 H new ATOM 0 HB2 GLN A 40 -10.426 2.736 -5.179 1.00 0.95 H new ATOM 0 HB3 GLN A 40 -11.559 2.950 -3.860 1.00 0.95 H new ATOM 0 HG2 GLN A 40 -12.372 5.072 -5.050 1.00 1.32 H new ATOM 0 HG3 GLN A 40 -11.394 4.584 -6.420 1.00 1.32 H new ATOM 0 HE21 GLN A 40 -14.147 4.938 -6.690 1.00 2.02 H new ATOM 0 HE22 GLN A 40 -15.036 3.412 -6.663 1.00 2.02 H new ATOM 639 N GLN A 41 -8.004 3.435 -2.935 1.00 0.56 N ATOM 640 CA GLN A 41 -7.275 2.683 -1.961 1.00 0.51 C ATOM 641 C GLN A 41 -6.622 3.588 -0.973 1.00 0.49 C ATOM 642 O GLN A 41 -6.102 4.616 -1.403 1.00 0.65 O ATOM 643 CB GLN A 41 -6.239 1.743 -2.598 1.00 0.67 C ATOM 644 CG GLN A 41 -6.767 0.697 -3.582 1.00 0.69 C ATOM 645 CD GLN A 41 -5.547 0.046 -4.218 1.00 0.56 C ATOM 646 OE1 GLN A 41 -4.531 -0.150 -3.553 1.00 0.66 O ATOM 647 NE2 GLN A 41 -5.484 -0.259 -5.542 1.00 0.61 N ATOM 0 H GLN A 41 -7.447 3.723 -3.740 1.00 0.56 H new ATOM 0 HA GLN A 41 -7.999 2.056 -1.441 1.00 0.51 H new ATOM 0 HB2 GLN A 41 -5.500 2.354 -3.116 1.00 0.67 H new ATOM 0 HB3 GLN A 41 -5.716 1.221 -1.796 1.00 0.67 H new ATOM 0 HG2 GLN A 41 -7.379 -0.045 -3.068 1.00 0.69 H new ATOM 0 HG3 GLN A 41 -7.398 1.161 -4.340 1.00 0.69 H new ATOM 0 HE21 GLN A 41 -6.299 -0.115 -6.138 1.00 0.61 H new ATOM 0 HE22 GLN A 41 -4.622 -0.632 -5.939 1.00 0.61 H new ATOM 656 N ARG A 42 -6.603 3.173 0.306 1.00 0.47 N ATOM 657 CA ARG A 42 -5.807 3.777 1.330 1.00 0.55 C ATOM 658 C ARG A 42 -4.754 2.835 1.803 1.00 0.46 C ATOM 659 O ARG A 42 -5.107 1.685 2.057 1.00 0.52 O ATOM 660 CB ARG A 42 -6.768 4.321 2.401 1.00 0.73 C ATOM 661 CG ARG A 42 -7.707 5.431 1.921 1.00 1.04 C ATOM 662 CD ARG A 42 -8.386 6.070 3.135 1.00 1.28 C ATOM 663 NE ARG A 42 -9.167 7.191 2.541 1.00 1.69 N ATOM 664 CZ ARG A 42 -10.269 7.681 3.181 1.00 2.19 C ATOM 665 NH1 ARG A 42 -10.901 7.129 4.257 1.00 2.34 N ATOM 666 NH2 ARG A 42 -10.730 8.907 2.796 1.00 2.78 N ATOM 0 H ARG A 42 -7.162 2.388 0.640 1.00 0.47 H new ATOM 0 HA ARG A 42 -5.231 4.628 0.968 1.00 0.55 H new ATOM 0 HB2 ARG A 42 -7.370 3.496 2.781 1.00 0.73 H new ATOM 0 HB3 ARG A 42 -6.180 4.699 3.237 1.00 0.73 H new ATOM 0 HG2 ARG A 42 -7.148 6.182 1.364 1.00 1.04 H new ATOM 0 HG3 ARG A 42 -8.456 5.023 1.242 1.00 1.04 H new ATOM 0 HD2 ARG A 42 -9.031 5.361 3.654 1.00 1.28 H new ATOM 0 HD3 ARG A 42 -7.657 6.429 3.861 1.00 1.28 H new ATOM 0 HE ARG A 42 -8.877 7.595 1.651 1.00 1.69 H new ATOM 0 HH11 ARG A 42 -10.553 6.260 4.663 1.00 2.34 H new ATOM 0 HH12 ARG A 42 -11.722 7.585 4.656 1.00 2.34 H new ATOM 0 HH21 ARG A 42 -10.254 9.421 2.055 1.00 2.78 H new ATOM 0 HH22 ARG A 42 -11.551 9.309 3.249 1.00 2.78 H new ATOM 680 N LEU A 43 -3.493 3.274 1.969 1.00 0.46 N ATOM 681 CA LEU A 43 -2.490 2.348 2.395 1.00 0.42 C ATOM 682 C LEU A 43 -2.020 2.833 3.723 1.00 0.43 C ATOM 683 O LEU A 43 -1.351 3.858 3.842 1.00 0.55 O ATOM 684 CB LEU A 43 -1.275 2.082 1.489 1.00 0.55 C ATOM 685 CG LEU A 43 -1.561 1.118 0.326 1.00 0.65 C ATOM 686 CD1 LEU A 43 -0.276 1.235 -0.512 1.00 1.17 C ATOM 687 CD2 LEU A 43 -1.853 -0.347 0.692 1.00 1.12 C ATOM 0 H LEU A 43 -3.176 4.231 1.816 1.00 0.46 H new ATOM 0 HA LEU A 43 -2.981 1.375 2.389 1.00 0.42 H new ATOM 0 HB2 LEU A 43 -0.923 3.030 1.083 1.00 0.55 H new ATOM 0 HB3 LEU A 43 -0.466 1.674 2.095 1.00 0.55 H new ATOM 0 HG LEU A 43 -2.488 1.396 -0.175 1.00 0.65 H new ATOM 0 HD11 LEU A 43 -0.351 0.587 -1.385 1.00 1.17 H new ATOM 0 HD12 LEU A 43 -0.146 2.267 -0.836 1.00 1.17 H new ATOM 0 HD13 LEU A 43 0.580 0.933 0.091 1.00 1.17 H new ATOM 0 HD21 LEU A 43 -2.037 -0.919 -0.217 1.00 1.12 H new ATOM 0 HD22 LEU A 43 -0.997 -0.768 1.218 1.00 1.12 H new ATOM 0 HD23 LEU A 43 -2.732 -0.393 1.334 1.00 1.12 H new ATOM 699 N ILE A 44 -2.294 2.111 4.824 1.00 0.42 N ATOM 700 CA ILE A 44 -2.038 2.492 6.179 1.00 0.46 C ATOM 701 C ILE A 44 -0.823 1.766 6.641 1.00 0.42 C ATOM 702 O ILE A 44 -0.679 0.576 6.360 1.00 0.53 O ATOM 703 CB ILE A 44 -3.247 2.200 7.019 1.00 0.58 C ATOM 704 CG1 ILE A 44 -4.558 2.870 6.578 1.00 1.05 C ATOM 705 CG2 ILE A 44 -2.903 2.485 8.491 1.00 1.38 C ATOM 706 CD1 ILE A 44 -4.597 4.381 6.804 1.00 1.27 C ATOM 0 H ILE A 44 -2.728 1.190 4.761 1.00 0.42 H new ATOM 0 HA ILE A 44 -1.848 3.562 6.266 1.00 0.46 H new ATOM 0 HB ILE A 44 -3.475 1.144 6.876 1.00 0.58 H new ATOM 0 HG12 ILE A 44 -4.717 2.668 5.519 1.00 1.05 H new ATOM 0 HG13 ILE A 44 -5.387 2.412 7.118 1.00 1.05 H new ATOM 0 HG21 ILE A 44 -3.773 2.277 9.115 1.00 1.38 H new ATOM 0 HG22 ILE A 44 -2.074 1.849 8.801 1.00 1.38 H new ATOM 0 HG23 ILE A 44 -2.618 3.531 8.602 1.00 1.38 H new ATOM 0 HD11 ILE A 44 -5.556 4.775 6.466 1.00 1.27 H new ATOM 0 HD12 ILE A 44 -4.471 4.593 7.866 1.00 1.27 H new ATOM 0 HD13 ILE A 44 -3.792 4.854 6.242 1.00 1.27 H new ATOM 718 N PHE A 45 0.090 2.476 7.328 1.00 0.42 N ATOM 719 CA PHE A 45 1.224 1.905 7.988 1.00 0.46 C ATOM 720 C PHE A 45 1.679 2.765 9.117 1.00 0.68 C ATOM 721 O PHE A 45 1.984 3.934 8.888 1.00 1.50 O ATOM 722 CB PHE A 45 2.346 1.772 6.944 1.00 0.56 C ATOM 723 CG PHE A 45 3.496 1.004 7.500 1.00 0.64 C ATOM 724 CD1 PHE A 45 3.248 -0.213 8.089 1.00 1.08 C ATOM 725 CD2 PHE A 45 4.708 1.609 7.734 1.00 1.19 C ATOM 726 CE1 PHE A 45 4.279 -0.908 8.676 1.00 1.20 C ATOM 727 CE2 PHE A 45 5.659 1.019 8.533 1.00 1.33 C ATOM 728 CZ PHE A 45 5.475 -0.282 8.938 1.00 1.02 C ATOM 0 H PHE A 45 0.036 3.490 7.428 1.00 0.42 H new ATOM 0 HA PHE A 45 0.960 0.934 8.406 1.00 0.46 H new ATOM 0 HB2 PHE A 45 1.964 1.271 6.054 1.00 0.56 H new ATOM 0 HB3 PHE A 45 2.680 2.762 6.634 1.00 0.56 H new ATOM 0 HD1 PHE A 45 2.248 -0.621 8.091 1.00 1.08 H new ATOM 0 HD2 PHE A 45 4.917 2.567 7.281 1.00 1.19 H new ATOM 0 HE1 PHE A 45 4.149 -1.949 8.932 1.00 1.20 H new ATOM 0 HE2 PHE A 45 6.537 1.569 8.838 1.00 1.33 H new ATOM 0 HZ PHE A 45 6.263 -0.808 9.457 1.00 1.02 H new ATOM 738 N ALA A 46 1.727 2.195 10.334 1.00 0.81 N ATOM 739 CA ALA A 46 2.089 2.888 11.531 1.00 0.96 C ATOM 740 C ALA A 46 1.197 4.007 11.948 1.00 0.97 C ATOM 741 O ALA A 46 1.586 5.096 12.367 1.00 1.21 O ATOM 742 CB ALA A 46 3.581 3.263 11.506 1.00 1.20 C ATOM 0 H ALA A 46 1.505 1.212 10.490 1.00 0.81 H new ATOM 0 HA ALA A 46 1.923 2.172 12.336 1.00 0.96 H new ATOM 0 HB1 ALA A 46 3.839 3.790 12.425 1.00 1.20 H new ATOM 0 HB2 ALA A 46 4.182 2.358 11.426 1.00 1.20 H new ATOM 0 HB3 ALA A 46 3.780 3.908 10.650 1.00 1.20 H new ATOM 748 N GLY A 47 -0.113 3.703 11.908 1.00 0.99 N ATOM 749 CA GLY A 47 -1.140 4.593 12.353 1.00 1.10 C ATOM 750 C GLY A 47 -1.606 5.563 11.323 1.00 1.03 C ATOM 751 O GLY A 47 -2.771 5.956 11.356 1.00 1.30 O ATOM 0 H GLY A 47 -0.468 2.814 11.556 1.00 0.99 H new ATOM 0 HA2 GLY A 47 -1.992 4.004 12.691 1.00 1.10 H new ATOM 0 HA3 GLY A 47 -0.773 5.148 13.217 1.00 1.10 H new ATOM 755 N LYS A 48 -0.724 5.984 10.397 1.00 0.98 N ATOM 756 CA LYS A 48 -0.962 6.947 9.366 1.00 1.05 C ATOM 757 C LYS A 48 -1.315 6.359 8.044 1.00 0.84 C ATOM 758 O LYS A 48 -0.971 5.243 7.656 1.00 0.81 O ATOM 759 CB LYS A 48 0.286 7.824 9.167 1.00 1.42 C ATOM 760 CG LYS A 48 1.581 7.126 8.750 1.00 1.61 C ATOM 761 CD LYS A 48 2.794 8.035 8.537 1.00 1.87 C ATOM 762 CE LYS A 48 3.170 8.946 9.707 1.00 2.22 C ATOM 763 NZ LYS A 48 4.184 9.935 9.274 1.00 2.55 N ATOM 0 H LYS A 48 0.229 5.622 10.369 1.00 0.98 H new ATOM 0 HA LYS A 48 -1.821 7.524 9.710 1.00 1.05 H new ATOM 0 HB2 LYS A 48 0.052 8.576 8.414 1.00 1.42 H new ATOM 0 HB3 LYS A 48 0.476 8.355 10.100 1.00 1.42 H new ATOM 0 HG2 LYS A 48 1.834 6.388 9.511 1.00 1.61 H new ATOM 0 HG3 LYS A 48 1.395 6.579 7.826 1.00 1.61 H new ATOM 0 HD2 LYS A 48 3.654 7.409 8.301 1.00 1.87 H new ATOM 0 HD3 LYS A 48 2.605 8.659 7.664 1.00 1.87 H new ATOM 0 HE2 LYS A 48 2.283 9.460 10.077 1.00 2.22 H new ATOM 0 HE3 LYS A 48 3.561 8.350 10.532 1.00 2.22 H new ATOM 0 HZ1 LYS A 48 4.434 10.550 10.075 1.00 2.55 H new ATOM 0 HZ2 LYS A 48 5.034 9.437 8.941 1.00 2.55 H new ATOM 0 HZ3 LYS A 48 3.797 10.513 8.501 1.00 2.55 H new ATOM 777 N GLN A 49 -1.994 7.259 7.312 1.00 0.84 N ATOM 778 CA GLN A 49 -2.373 6.993 5.959 1.00 0.80 C ATOM 779 C GLN A 49 -1.332 7.514 5.030 1.00 0.72 C ATOM 780 O GLN A 49 -0.938 8.674 4.922 1.00 0.83 O ATOM 781 CB GLN A 49 -3.709 7.724 5.737 1.00 1.03 C ATOM 782 CG GLN A 49 -4.384 7.806 4.367 1.00 1.67 C ATOM 783 CD GLN A 49 -5.814 8.259 4.625 1.00 1.92 C ATOM 784 OE1 GLN A 49 -6.557 7.823 5.502 1.00 2.24 O ATOM 785 NE2 GLN A 49 -6.201 9.257 3.785 1.00 2.48 N ATOM 0 H GLN A 49 -2.282 8.174 7.658 1.00 0.84 H new ATOM 0 HA GLN A 49 -2.474 5.924 5.771 1.00 0.80 H new ATOM 0 HB2 GLN A 49 -4.431 7.266 6.413 1.00 1.03 H new ATOM 0 HB3 GLN A 49 -3.563 8.750 6.074 1.00 1.03 H new ATOM 0 HG2 GLN A 49 -3.864 8.510 3.718 1.00 1.67 H new ATOM 0 HG3 GLN A 49 -4.367 6.838 3.866 1.00 1.67 H new ATOM 0 HE21 GLN A 49 -5.561 9.597 3.067 1.00 2.48 H new ATOM 0 HE22 GLN A 49 -7.131 9.666 3.873 1.00 2.48 H new ATOM 794 N LEU A 50 -0.729 6.661 4.184 1.00 0.69 N ATOM 795 CA LEU A 50 0.380 7.045 3.366 1.00 0.66 C ATOM 796 C LEU A 50 0.019 7.814 2.142 1.00 0.72 C ATOM 797 O LEU A 50 -0.750 7.291 1.337 1.00 0.90 O ATOM 798 CB LEU A 50 1.182 5.774 3.042 1.00 0.65 C ATOM 799 CG LEU A 50 1.703 4.930 4.217 1.00 0.64 C ATOM 800 CD1 LEU A 50 1.900 3.500 3.687 1.00 0.77 C ATOM 801 CD2 LEU A 50 2.919 5.535 4.939 1.00 0.74 C ATOM 0 H LEU A 50 -1.015 5.689 4.065 1.00 0.69 H new ATOM 0 HA LEU A 50 0.987 7.754 3.930 1.00 0.66 H new ATOM 0 HB2 LEU A 50 0.555 5.133 2.422 1.00 0.65 H new ATOM 0 HB3 LEU A 50 2.039 6.066 2.435 1.00 0.65 H new ATOM 0 HG LEU A 50 0.971 4.915 5.024 1.00 0.64 H new ATOM 0 HD11 LEU A 50 2.271 2.862 4.490 1.00 0.77 H new ATOM 0 HD12 LEU A 50 0.948 3.112 3.325 1.00 0.77 H new ATOM 0 HD13 LEU A 50 2.621 3.511 2.870 1.00 0.77 H new ATOM 0 HD21 LEU A 50 3.223 4.878 5.754 1.00 0.74 H new ATOM 0 HD22 LEU A 50 3.743 5.644 4.234 1.00 0.74 H new ATOM 0 HD23 LEU A 50 2.654 6.513 5.341 1.00 0.74 H new ATOM 813 N GLU A 51 0.544 9.035 1.937 1.00 0.70 N ATOM 814 CA GLU A 51 0.199 9.826 0.797 1.00 0.76 C ATOM 815 C GLU A 51 0.661 9.452 -0.570 1.00 0.77 C ATOM 816 O GLU A 51 1.709 8.837 -0.764 1.00 1.23 O ATOM 817 CB GLU A 51 0.426 11.328 1.031 1.00 0.88 C ATOM 818 CG GLU A 51 -0.491 11.846 2.140 1.00 1.35 C ATOM 819 CD GLU A 51 -0.133 13.315 2.326 1.00 1.46 C ATOM 820 OE1 GLU A 51 0.980 13.760 2.715 1.00 1.89 O ATOM 821 OE2 GLU A 51 -1.015 14.156 2.008 1.00 1.94 O ATOM 0 H GLU A 51 1.213 9.477 2.567 1.00 0.70 H new ATOM 0 HA GLU A 51 -0.858 9.564 0.748 1.00 0.76 H new ATOM 0 HB2 GLU A 51 1.467 11.506 1.300 1.00 0.88 H new ATOM 0 HB3 GLU A 51 0.237 11.878 0.109 1.00 0.88 H new ATOM 0 HG2 GLU A 51 -1.540 11.731 1.865 1.00 1.35 H new ATOM 0 HG3 GLU A 51 -0.341 11.287 3.064 1.00 1.35 H new ATOM 828 N ASP A 52 -0.254 9.621 -1.540 1.00 0.66 N ATOM 829 CA ASP A 52 -0.225 9.180 -2.900 1.00 0.65 C ATOM 830 C ASP A 52 0.981 9.541 -3.696 1.00 0.60 C ATOM 831 O ASP A 52 1.810 8.695 -4.030 1.00 0.62 O ATOM 832 CB ASP A 52 -1.444 9.828 -3.580 1.00 0.81 C ATOM 833 CG ASP A 52 -2.764 9.421 -2.941 1.00 0.95 C ATOM 834 OD1 ASP A 52 -3.094 9.964 -1.852 1.00 1.44 O ATOM 835 OD2 ASP A 52 -3.559 8.632 -3.517 1.00 1.56 O ATOM 0 H ASP A 52 -1.117 10.128 -1.343 1.00 0.66 H new ATOM 0 HA ASP A 52 -0.222 8.090 -2.872 1.00 0.65 H new ATOM 0 HB2 ASP A 52 -1.344 10.913 -3.537 1.00 0.81 H new ATOM 0 HB3 ASP A 52 -1.456 9.551 -4.634 1.00 0.81 H new ATOM 840 N GLY A 53 1.201 10.854 -3.889 1.00 0.68 N ATOM 841 CA GLY A 53 2.369 11.428 -4.483 1.00 0.73 C ATOM 842 C GLY A 53 3.496 11.587 -3.522 1.00 0.72 C ATOM 843 O GLY A 53 4.221 12.580 -3.544 1.00 0.97 O ATOM 0 H GLY A 53 0.519 11.560 -3.612 1.00 0.68 H new ATOM 0 HA2 GLY A 53 2.693 10.800 -5.313 1.00 0.73 H new ATOM 0 HA3 GLY A 53 2.115 12.402 -4.901 1.00 0.73 H new ATOM 847 N ARG A 54 3.787 10.595 -2.661 1.00 0.64 N ATOM 848 CA ARG A 54 5.000 10.508 -1.909 1.00 0.63 C ATOM 849 C ARG A 54 5.690 9.226 -2.223 1.00 0.59 C ATOM 850 O ARG A 54 5.034 8.311 -2.719 1.00 0.62 O ATOM 851 CB ARG A 54 4.871 10.734 -0.393 1.00 0.69 C ATOM 852 CG ARG A 54 4.352 12.143 -0.099 1.00 0.82 C ATOM 853 CD ARG A 54 4.504 12.493 1.383 1.00 1.18 C ATOM 854 NE ARG A 54 3.677 13.684 1.726 1.00 1.50 N ATOM 855 CZ ARG A 54 4.059 14.989 1.833 1.00 2.00 C ATOM 856 NH1 ARG A 54 5.354 15.388 2.006 1.00 2.49 N ATOM 857 NH2 ARG A 54 3.120 15.951 2.073 1.00 2.48 N ATOM 0 H ARG A 54 3.149 9.820 -2.481 1.00 0.64 H new ATOM 0 HA ARG A 54 5.607 11.354 -2.231 1.00 0.63 H new ATOM 0 HB2 ARG A 54 4.193 9.995 0.034 1.00 0.69 H new ATOM 0 HB3 ARG A 54 5.840 10.591 0.085 1.00 0.69 H new ATOM 0 HG2 ARG A 54 4.897 12.867 -0.704 1.00 0.82 H new ATOM 0 HG3 ARG A 54 3.303 12.214 -0.386 1.00 0.82 H new ATOM 0 HD2 ARG A 54 4.201 11.644 1.996 1.00 1.18 H new ATOM 0 HD3 ARG A 54 5.551 12.693 1.610 1.00 1.18 H new ATOM 0 HE ARG A 54 2.690 13.498 1.905 1.00 1.50 H new ATOM 0 HH11 ARG A 54 6.099 14.693 2.062 1.00 2.49 H new ATOM 0 HH12 ARG A 54 5.576 16.381 2.079 1.00 2.49 H new ATOM 0 HH21 ARG A 54 2.138 15.692 2.171 1.00 2.48 H new ATOM 0 HH22 ARG A 54 3.400 16.928 2.154 1.00 2.48 H new ATOM 871 N THR A 55 6.994 9.061 -1.937 1.00 0.63 N ATOM 872 CA THR A 55 7.807 7.902 -2.138 1.00 0.61 C ATOM 873 C THR A 55 7.815 7.055 -0.912 1.00 0.59 C ATOM 874 O THR A 55 7.565 7.590 0.167 1.00 0.64 O ATOM 875 CB THR A 55 9.198 8.082 -2.669 1.00 0.68 C ATOM 876 OG1 THR A 55 10.000 8.893 -1.824 1.00 0.75 O ATOM 877 CG2 THR A 55 9.080 8.834 -4.006 1.00 0.76 C ATOM 0 H THR A 55 7.532 9.821 -1.521 1.00 0.63 H new ATOM 0 HA THR A 55 7.309 7.407 -2.971 1.00 0.61 H new ATOM 0 HB THR A 55 9.658 7.097 -2.753 1.00 0.68 H new ATOM 0 HG1 THR A 55 10.897 8.980 -2.209 1.00 0.75 H new ATOM 0 HG21 THR A 55 10.074 8.986 -4.427 1.00 0.76 H new ATOM 0 HG22 THR A 55 8.477 8.249 -4.701 1.00 0.76 H new ATOM 0 HG23 THR A 55 8.605 9.801 -3.839 1.00 0.76 H new ATOM 885 N LEU A 56 7.992 5.732 -1.075 1.00 0.58 N ATOM 886 CA LEU A 56 8.282 4.761 -0.065 1.00 0.59 C ATOM 887 C LEU A 56 9.439 5.191 0.769 1.00 0.64 C ATOM 888 O LEU A 56 9.480 5.172 1.999 1.00 0.70 O ATOM 889 CB LEU A 56 8.498 3.409 -0.765 1.00 0.60 C ATOM 890 CG LEU A 56 7.239 2.882 -1.475 1.00 0.63 C ATOM 891 CD1 LEU A 56 7.407 1.627 -2.348 1.00 1.05 C ATOM 892 CD2 LEU A 56 6.087 2.655 -0.480 1.00 1.03 C ATOM 0 H LEU A 56 7.926 5.305 -1.999 1.00 0.58 H new ATOM 0 HA LEU A 56 7.452 4.659 0.634 1.00 0.59 H new ATOM 0 HB2 LEU A 56 9.302 3.510 -1.494 1.00 0.60 H new ATOM 0 HB3 LEU A 56 8.825 2.675 -0.029 1.00 0.60 H new ATOM 0 HG LEU A 56 7.007 3.685 -2.174 1.00 0.63 H new ATOM 0 HD11 LEU A 56 6.447 1.360 -2.791 1.00 1.05 H new ATOM 0 HD12 LEU A 56 8.128 1.829 -3.140 1.00 1.05 H new ATOM 0 HD13 LEU A 56 7.765 0.801 -1.733 1.00 1.05 H new ATOM 0 HD21 LEU A 56 5.213 2.283 -1.014 1.00 1.03 H new ATOM 0 HD22 LEU A 56 6.392 1.925 0.270 1.00 1.03 H new ATOM 0 HD23 LEU A 56 5.839 3.596 0.010 1.00 1.03 H new ATOM 904 N SER A 57 10.580 5.584 0.177 1.00 0.68 N ATOM 905 CA SER A 57 11.767 6.128 0.760 1.00 0.75 C ATOM 906 C SER A 57 11.619 7.244 1.736 1.00 0.76 C ATOM 907 O SER A 57 12.232 7.224 2.802 1.00 0.84 O ATOM 908 CB SER A 57 12.752 6.571 -0.335 1.00 0.84 C ATOM 909 OG SER A 57 13.983 6.946 0.265 1.00 1.19 O ATOM 0 H SER A 57 10.678 5.510 -0.836 1.00 0.68 H new ATOM 0 HA SER A 57 12.136 5.291 1.353 1.00 0.75 H new ATOM 0 HB2 SER A 57 12.913 5.760 -1.045 1.00 0.84 H new ATOM 0 HB3 SER A 57 12.338 7.409 -0.896 1.00 0.84 H new ATOM 0 HG SER A 57 14.614 7.227 -0.430 1.00 1.19 H new ATOM 915 N ASP A 58 10.742 8.224 1.454 1.00 0.75 N ATOM 916 CA ASP A 58 10.481 9.230 2.437 1.00 0.78 C ATOM 917 C ASP A 58 9.695 8.817 3.633 1.00 0.77 C ATOM 918 O ASP A 58 9.807 9.480 4.664 1.00 0.86 O ATOM 919 CB ASP A 58 9.671 10.259 1.631 1.00 0.83 C ATOM 920 CG ASP A 58 9.680 11.670 2.200 1.00 1.23 C ATOM 921 OD1 ASP A 58 10.272 12.014 3.257 1.00 1.86 O ATOM 922 OD2 ASP A 58 9.007 12.484 1.514 1.00 1.90 O ATOM 0 H ASP A 58 10.229 8.321 0.578 1.00 0.75 H new ATOM 0 HA ASP A 58 11.420 9.565 2.877 1.00 0.78 H new ATOM 0 HB2 ASP A 58 10.061 10.291 0.614 1.00 0.83 H new ATOM 0 HB3 ASP A 58 8.638 9.916 1.565 1.00 0.83 H new ATOM 927 N TYR A 59 8.981 7.677 3.616 1.00 0.72 N ATOM 928 CA TYR A 59 8.233 7.134 4.706 1.00 0.73 C ATOM 929 C TYR A 59 9.135 6.168 5.394 1.00 0.76 C ATOM 930 O TYR A 59 8.794 5.671 6.466 1.00 0.89 O ATOM 931 CB TYR A 59 6.960 6.361 4.320 1.00 0.73 C ATOM 932 CG TYR A 59 5.784 7.260 4.152 1.00 0.67 C ATOM 933 CD1 TYR A 59 5.295 8.013 5.193 1.00 0.74 C ATOM 934 CD2 TYR A 59 5.224 7.531 2.925 1.00 0.67 C ATOM 935 CE1 TYR A 59 4.231 8.881 5.156 1.00 0.77 C ATOM 936 CE2 TYR A 59 4.212 8.457 2.832 1.00 0.70 C ATOM 937 CZ TYR A 59 3.753 9.186 3.904 1.00 0.74 C ATOM 938 OH TYR A 59 2.743 10.146 3.682 1.00 0.86 O ATOM 0 H TYR A 59 8.924 7.095 2.780 1.00 0.72 H new ATOM 0 HA TYR A 59 7.903 7.979 5.311 1.00 0.73 H new ATOM 0 HB2 TYR A 59 7.135 5.817 3.392 1.00 0.73 H new ATOM 0 HB3 TYR A 59 6.741 5.619 5.088 1.00 0.73 H new ATOM 0 HD1 TYR A 59 5.802 7.911 6.141 1.00 0.74 H new ATOM 0 HD2 TYR A 59 5.577 7.020 2.041 1.00 0.67 H new ATOM 0 HE1 TYR A 59 3.798 9.297 6.053 1.00 0.77 H new ATOM 0 HE2 TYR A 59 3.754 8.620 1.868 1.00 0.70 H new ATOM 0 HH TYR A 59 3.098 11.042 3.862 1.00 0.86 H new ATOM 948 N ASN A 60 10.361 5.941 4.887 1.00 0.74 N ATOM 949 CA ASN A 60 11.367 5.105 5.466 1.00 0.79 C ATOM 950 C ASN A 60 10.981 3.665 5.481 1.00 0.75 C ATOM 951 O ASN A 60 11.426 2.880 6.316 1.00 0.86 O ATOM 952 CB ASN A 60 11.813 5.470 6.893 1.00 0.95 C ATOM 953 CG ASN A 60 12.293 6.900 7.095 1.00 1.25 C ATOM 954 OD1 ASN A 60 11.618 7.718 7.717 1.00 1.84 O ATOM 955 ND2 ASN A 60 13.543 7.098 6.598 1.00 1.83 N ATOM 0 H ASN A 60 10.669 6.371 4.015 1.00 0.74 H new ATOM 0 HA ASN A 60 12.210 5.286 4.799 1.00 0.79 H new ATOM 0 HB2 ASN A 60 10.979 5.288 7.571 1.00 0.95 H new ATOM 0 HB3 ASN A 60 12.616 4.793 7.186 1.00 0.95 H new ATOM 0 HD21 ASN A 60 14.007 7.997 6.729 1.00 1.83 H new ATOM 0 HD22 ASN A 60 14.016 6.348 6.094 1.00 1.83 H new ATOM 962 N ILE A 61 10.209 3.290 4.446 1.00 0.67 N ATOM 963 CA ILE A 61 9.681 1.970 4.287 1.00 0.65 C ATOM 964 C ILE A 61 10.660 1.182 3.487 1.00 0.66 C ATOM 965 O ILE A 61 11.024 1.410 2.334 1.00 0.75 O ATOM 966 CB ILE A 61 8.341 1.864 3.620 1.00 0.63 C ATOM 967 CG1 ILE A 61 7.294 2.861 4.144 1.00 0.70 C ATOM 968 CG2 ILE A 61 7.792 0.433 3.733 1.00 0.72 C ATOM 969 CD1 ILE A 61 6.007 2.870 3.318 1.00 0.82 C ATOM 0 H ILE A 61 9.943 3.926 3.694 1.00 0.67 H new ATOM 0 HA ILE A 61 9.526 1.594 5.298 1.00 0.65 H new ATOM 0 HB ILE A 61 8.517 2.122 2.576 1.00 0.63 H new ATOM 0 HG12 ILE A 61 7.053 2.615 5.178 1.00 0.70 H new ATOM 0 HG13 ILE A 61 7.724 3.863 4.146 1.00 0.70 H new ATOM 0 HG21 ILE A 61 6.820 0.377 3.243 1.00 0.72 H new ATOM 0 HG22 ILE A 61 8.482 -0.260 3.251 1.00 0.72 H new ATOM 0 HG23 ILE A 61 7.685 0.166 4.784 1.00 0.72 H new ATOM 0 HD11 ILE A 61 5.309 3.594 3.739 1.00 0.82 H new ATOM 0 HD12 ILE A 61 6.237 3.144 2.289 1.00 0.82 H new ATOM 0 HD13 ILE A 61 5.556 1.878 3.337 1.00 0.82 H new ATOM 981 N GLN A 62 11.134 0.073 4.084 1.00 0.67 N ATOM 982 CA GLN A 62 12.056 -0.859 3.512 1.00 0.70 C ATOM 983 C GLN A 62 11.474 -2.206 3.250 1.00 0.62 C ATOM 984 O GLN A 62 10.281 -2.487 3.348 1.00 0.64 O ATOM 985 CB GLN A 62 13.397 -0.895 4.263 1.00 0.85 C ATOM 986 CG GLN A 62 14.060 0.481 4.359 1.00 1.27 C ATOM 987 CD GLN A 62 15.385 0.333 5.094 1.00 1.57 C ATOM 988 OE1 GLN A 62 16.420 0.106 4.471 1.00 2.08 O ATOM 989 NE2 GLN A 62 15.442 0.634 6.419 1.00 2.16 N ATOM 0 H GLN A 62 10.854 -0.189 5.029 1.00 0.67 H new ATOM 0 HA GLN A 62 12.283 -0.475 2.518 1.00 0.70 H new ATOM 0 HB2 GLN A 62 13.235 -1.286 5.267 1.00 0.85 H new ATOM 0 HB3 GLN A 62 14.073 -1.585 3.757 1.00 0.85 H new ATOM 0 HG2 GLN A 62 14.224 0.892 3.363 1.00 1.27 H new ATOM 0 HG3 GLN A 62 13.410 1.178 4.888 1.00 1.27 H new ATOM 0 HE21 GLN A 62 14.584 0.822 6.937 1.00 2.16 H new ATOM 0 HE22 GLN A 62 16.343 0.671 6.895 1.00 2.16 H new ATOM 998 N LYS A 63 12.410 -3.110 2.908 1.00 0.64 N ATOM 999 CA LYS A 63 12.116 -4.474 2.599 1.00 0.62 C ATOM 1000 C LYS A 63 11.507 -5.196 3.752 1.00 0.59 C ATOM 1001 O LYS A 63 11.903 -5.106 4.913 1.00 0.66 O ATOM 1002 CB LYS A 63 13.328 -5.272 2.089 1.00 0.74 C ATOM 1003 CG LYS A 63 14.369 -5.589 3.164 1.00 0.89 C ATOM 1004 CD LYS A 63 15.571 -6.335 2.580 1.00 1.11 C ATOM 1005 CE LYS A 63 16.805 -6.403 3.481 1.00 1.47 C ATOM 1006 NZ LYS A 63 17.939 -6.908 2.674 1.00 2.12 N ATOM 0 H LYS A 63 13.403 -2.884 2.845 1.00 0.64 H new ATOM 0 HA LYS A 63 11.393 -4.414 1.786 1.00 0.62 H new ATOM 0 HB2 LYS A 63 12.976 -6.207 1.654 1.00 0.74 H new ATOM 0 HB3 LYS A 63 13.809 -4.709 1.289 1.00 0.74 H new ATOM 0 HG2 LYS A 63 14.706 -4.663 3.630 1.00 0.89 H new ATOM 0 HG3 LYS A 63 13.911 -6.192 3.948 1.00 0.89 H new ATOM 0 HD2 LYS A 63 15.263 -7.352 2.338 1.00 1.11 H new ATOM 0 HD3 LYS A 63 15.853 -5.856 1.642 1.00 1.11 H new ATOM 0 HE2 LYS A 63 17.035 -5.417 3.885 1.00 1.47 H new ATOM 0 HE3 LYS A 63 16.620 -7.061 4.330 1.00 1.47 H new ATOM 0 HZ1 LYS A 63 18.791 -6.962 3.268 1.00 2.12 H new ATOM 0 HZ2 LYS A 63 17.711 -7.855 2.309 1.00 2.12 H new ATOM 0 HZ3 LYS A 63 18.113 -6.262 1.878 1.00 2.12 H new ATOM 1020 N GLU A 64 10.448 -5.976 3.469 1.00 0.57 N ATOM 1021 CA GLU A 64 9.779 -6.869 4.363 1.00 0.58 C ATOM 1022 C GLU A 64 8.745 -6.259 5.247 1.00 0.56 C ATOM 1023 O GLU A 64 8.272 -6.915 6.174 1.00 0.70 O ATOM 1024 CB GLU A 64 10.712 -7.810 5.144 1.00 0.72 C ATOM 1025 CG GLU A 64 11.662 -8.553 4.203 1.00 0.96 C ATOM 1026 CD GLU A 64 12.118 -9.881 4.794 1.00 1.18 C ATOM 1027 OE1 GLU A 64 11.443 -10.940 4.699 1.00 1.69 O ATOM 1028 OE2 GLU A 64 13.135 -9.931 5.535 1.00 1.71 O ATOM 0 H GLU A 64 10.027 -5.981 2.540 1.00 0.57 H new ATOM 0 HA GLU A 64 9.219 -7.490 3.664 1.00 0.58 H new ATOM 0 HB2 GLU A 64 11.289 -7.235 5.868 1.00 0.72 H new ATOM 0 HB3 GLU A 64 10.118 -8.529 5.708 1.00 0.72 H new ATOM 0 HG2 GLU A 64 11.164 -8.731 3.250 1.00 0.96 H new ATOM 0 HG3 GLU A 64 12.532 -7.929 3.997 1.00 0.96 H new ATOM 1035 N SER A 65 8.342 -5.015 4.934 1.00 0.51 N ATOM 1036 CA SER A 65 7.517 -4.156 5.726 1.00 0.51 C ATOM 1037 C SER A 65 6.112 -4.482 5.352 1.00 0.43 C ATOM 1038 O SER A 65 5.829 -4.784 4.193 1.00 0.50 O ATOM 1039 CB SER A 65 7.649 -2.656 5.420 1.00 0.65 C ATOM 1040 OG SER A 65 7.148 -1.862 6.487 1.00 1.04 O ATOM 0 H SER A 65 8.616 -4.575 4.055 1.00 0.51 H new ATOM 0 HA SER A 65 7.807 -4.318 6.764 1.00 0.51 H new ATOM 0 HB2 SER A 65 8.696 -2.410 5.242 1.00 0.65 H new ATOM 0 HB3 SER A 65 7.107 -2.421 4.504 1.00 0.65 H new ATOM 0 HG SER A 65 7.735 -1.090 6.624 1.00 1.04 H new ATOM 1046 N THR A 66 5.158 -4.423 6.299 1.00 0.45 N ATOM 1047 CA THR A 66 3.803 -4.790 6.027 1.00 0.45 C ATOM 1048 C THR A 66 2.932 -3.582 5.994 1.00 0.43 C ATOM 1049 O THR A 66 2.692 -2.946 7.019 1.00 0.58 O ATOM 1050 CB THR A 66 3.152 -5.672 7.051 1.00 0.61 C ATOM 1051 OG1 THR A 66 3.822 -6.906 7.260 1.00 0.79 O ATOM 1052 CG2 THR A 66 1.715 -6.075 6.678 1.00 0.78 C ATOM 0 H THR A 66 5.327 -4.119 7.258 1.00 0.45 H new ATOM 0 HA THR A 66 3.882 -5.324 5.080 1.00 0.45 H new ATOM 0 HB THR A 66 3.184 -5.048 7.944 1.00 0.61 H new ATOM 0 HG1 THR A 66 3.344 -7.427 7.939 1.00 0.79 H new ATOM 0 HG21 THR A 66 1.301 -6.712 7.460 1.00 0.78 H new ATOM 0 HG22 THR A 66 1.101 -5.180 6.576 1.00 0.78 H new ATOM 0 HG23 THR A 66 1.723 -6.619 5.733 1.00 0.78 H new ATOM 1060 N LEU A 67 2.424 -3.191 4.812 1.00 0.38 N ATOM 1061 CA LEU A 67 1.458 -2.148 4.661 1.00 0.38 C ATOM 1062 C LEU A 67 0.110 -2.779 4.742 1.00 0.37 C ATOM 1063 O LEU A 67 -0.206 -3.913 4.390 1.00 0.50 O ATOM 1064 CB LEU A 67 1.592 -1.356 3.350 1.00 0.46 C ATOM 1065 CG LEU A 67 3.045 -0.907 3.119 1.00 0.65 C ATOM 1066 CD1 LEU A 67 3.045 0.005 1.882 1.00 1.40 C ATOM 1067 CD2 LEU A 67 3.660 -0.108 4.282 1.00 1.31 C ATOM 0 H LEU A 67 2.697 -3.618 3.927 1.00 0.38 H new ATOM 0 HA LEU A 67 1.620 -1.418 5.454 1.00 0.38 H new ATOM 0 HB2 LEU A 67 1.262 -1.972 2.514 1.00 0.46 H new ATOM 0 HB3 LEU A 67 0.939 -0.484 3.380 1.00 0.46 H new ATOM 0 HG LEU A 67 3.645 -1.810 3.008 1.00 0.65 H new ATOM 0 HD11 LEU A 67 4.060 0.347 1.682 1.00 1.40 H new ATOM 0 HD12 LEU A 67 2.673 -0.550 1.021 1.00 1.40 H new ATOM 0 HD13 LEU A 67 2.402 0.866 2.064 1.00 1.40 H new ATOM 0 HD21 LEU A 67 4.685 0.167 4.033 1.00 1.31 H new ATOM 0 HD22 LEU A 67 3.074 0.795 4.453 1.00 1.31 H new ATOM 0 HD23 LEU A 67 3.658 -0.719 5.185 1.00 1.31 H new ATOM 1079 N HIS A 68 -0.899 -2.028 5.219 1.00 0.35 N ATOM 1080 CA HIS A 68 -2.263 -2.417 5.397 1.00 0.37 C ATOM 1081 C HIS A 68 -3.153 -1.694 4.445 1.00 0.35 C ATOM 1082 O HIS A 68 -2.978 -0.489 4.276 1.00 0.48 O ATOM 1083 CB HIS A 68 -2.641 -1.948 6.813 1.00 0.49 C ATOM 1084 CG HIS A 68 -1.935 -2.722 7.886 1.00 0.75 C ATOM 1085 ND1 HIS A 68 -2.147 -4.067 8.115 1.00 1.35 N ATOM 1086 CD2 HIS A 68 -1.075 -2.300 8.849 1.00 1.48 C ATOM 1087 CE1 HIS A 68 -1.429 -4.439 9.209 1.00 1.41 C ATOM 1088 NE2 HIS A 68 -0.716 -3.399 9.602 1.00 1.51 N ATOM 0 H HIS A 68 -0.743 -1.061 5.505 1.00 0.35 H new ATOM 0 HA HIS A 68 -2.375 -3.490 5.239 1.00 0.37 H new ATOM 0 HB2 HIS A 68 -2.402 -0.890 6.917 1.00 0.49 H new ATOM 0 HB3 HIS A 68 -3.718 -2.046 6.949 1.00 0.49 H new ATOM 0 HD2 HIS A 68 -0.734 -1.286 8.998 1.00 1.48 H new ATOM 0 HE1 HIS A 68 -1.440 -5.414 9.674 1.00 1.41 H new ATOM 0 HE2 HIS A 68 -0.014 -3.407 10.342 1.00 1.51 H new ATOM 1096 N LEU A 69 -4.052 -2.319 3.664 1.00 0.36 N ATOM 1097 CA LEU A 69 -4.824 -1.748 2.604 1.00 0.38 C ATOM 1098 C LEU A 69 -6.122 -1.485 3.288 1.00 0.41 C ATOM 1099 O LEU A 69 -6.781 -2.253 3.986 1.00 0.56 O ATOM 1100 CB LEU A 69 -4.925 -2.718 1.414 1.00 0.48 C ATOM 1101 CG LEU A 69 -5.875 -2.407 0.245 1.00 0.56 C ATOM 1102 CD1 LEU A 69 -5.468 -1.093 -0.441 1.00 1.01 C ATOM 1103 CD2 LEU A 69 -5.971 -3.414 -0.913 1.00 1.14 C ATOM 0 H LEU A 69 -4.255 -3.311 3.787 1.00 0.36 H new ATOM 0 HA LEU A 69 -4.405 -0.848 2.154 1.00 0.38 H new ATOM 0 HB2 LEU A 69 -3.923 -2.825 0.998 1.00 0.48 H new ATOM 0 HB3 LEU A 69 -5.210 -3.691 1.813 1.00 0.48 H new ATOM 0 HG LEU A 69 -6.836 -2.404 0.760 1.00 0.56 H new ATOM 0 HD11 LEU A 69 -6.150 -0.887 -1.266 1.00 1.01 H new ATOM 0 HD12 LEU A 69 -5.514 -0.277 0.280 1.00 1.01 H new ATOM 0 HD13 LEU A 69 -4.451 -1.182 -0.824 1.00 1.01 H new ATOM 0 HD21 LEU A 69 -6.682 -3.049 -1.655 1.00 1.14 H new ATOM 0 HD22 LEU A 69 -4.991 -3.531 -1.376 1.00 1.14 H new ATOM 0 HD23 LEU A 69 -6.309 -4.377 -0.530 1.00 1.14 H new ATOM 1115 N VAL A 70 -6.622 -0.258 3.054 1.00 0.45 N ATOM 1116 CA VAL A 70 -7.925 0.145 3.483 1.00 0.56 C ATOM 1117 C VAL A 70 -8.586 0.778 2.306 1.00 0.55 C ATOM 1118 O VAL A 70 -7.900 1.032 1.318 1.00 0.58 O ATOM 1119 CB VAL A 70 -7.826 1.152 4.590 1.00 0.77 C ATOM 1120 CG1 VAL A 70 -9.004 2.122 4.781 1.00 1.23 C ATOM 1121 CG2 VAL A 70 -7.623 0.427 5.931 1.00 0.97 C ATOM 0 H VAL A 70 -6.109 0.470 2.556 1.00 0.45 H new ATOM 0 HA VAL A 70 -8.487 -0.712 3.853 1.00 0.56 H new ATOM 0 HB VAL A 70 -6.983 1.769 4.279 1.00 0.77 H new ATOM 0 HG11 VAL A 70 -8.793 2.791 5.616 1.00 1.23 H new ATOM 0 HG12 VAL A 70 -9.143 2.708 3.873 1.00 1.23 H new ATOM 0 HG13 VAL A 70 -9.911 1.556 4.990 1.00 1.23 H new ATOM 0 HG21 VAL A 70 -7.551 1.161 6.734 1.00 0.97 H new ATOM 0 HG22 VAL A 70 -8.469 -0.235 6.118 1.00 0.97 H new ATOM 0 HG23 VAL A 70 -6.705 -0.159 5.892 1.00 0.97 H new ATOM 1131 N LEU A 71 -9.916 0.964 2.259 1.00 0.73 N ATOM 1132 CA LEU A 71 -10.625 1.632 1.211 1.00 0.84 C ATOM 1133 C LEU A 71 -11.016 3.036 1.522 1.00 0.85 C ATOM 1134 O LEU A 71 -11.151 3.509 2.648 1.00 1.03 O ATOM 1135 CB LEU A 71 -11.854 0.835 0.741 1.00 1.26 C ATOM 1136 CG LEU A 71 -11.510 -0.314 -0.221 1.00 1.86 C ATOM 1137 CD1 LEU A 71 -12.739 -1.195 -0.499 1.00 1.95 C ATOM 1138 CD2 LEU A 71 -10.982 0.312 -1.523 1.00 2.78 C ATOM 0 H LEU A 71 -10.534 0.628 2.997 1.00 0.73 H new ATOM 0 HA LEU A 71 -9.901 1.687 0.398 1.00 0.84 H new ATOM 0 HB2 LEU A 71 -12.367 0.427 1.612 1.00 1.26 H new ATOM 0 HB3 LEU A 71 -12.551 1.514 0.249 1.00 1.26 H new ATOM 0 HG LEU A 71 -10.754 -0.960 0.225 1.00 1.86 H new ATOM 0 HD11 LEU A 71 -12.464 -1.998 -1.182 1.00 1.95 H new ATOM 0 HD12 LEU A 71 -13.100 -1.622 0.437 1.00 1.95 H new ATOM 0 HD13 LEU A 71 -13.526 -0.590 -0.949 1.00 1.95 H new ATOM 0 HD21 LEU A 71 -10.728 -0.478 -2.230 1.00 2.78 H new ATOM 0 HD22 LEU A 71 -11.750 0.953 -1.956 1.00 2.78 H new ATOM 0 HD23 LEU A 71 -10.094 0.905 -1.307 1.00 2.78 H new