USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 629 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 55 THR OG1 : rot 140:sc= 1.27 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 1.07 USER MOD Set 2.1: A 22 THR OG1 : rot 180:sc= 0.697 USER MOD Set 2.2: A 25 ASN : amide:sc= 0.685 X(o=1.4,f=1.2) USER MOD Set 3.1: A 6 LYS NZ :NH3+ 157:sc= 0.425 (180deg=-0.119) USER MOD Set 3.2: A 12 THR OG1 : rot 130:sc= 0.534 USER MOD Single : A 1 MET CE :methyl -167:sc= -0.0402 (180deg=-0.359) USER MOD Single : A 1 MET N :NH3+ -177:sc= 2.44 (180deg=2.38) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 177:sc= 1.18 (180deg=1.12) USER MOD Single : A 14 THR OG1 : rot -71:sc= 0.0169 USER MOD Single : A 20 SER OG : rot 180:sc= 0.00583 USER MOD Single : A 27 LYS NZ :NH3+ 173:sc= 2.41 (180deg=2.09) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.0344 X(o=-0.034,f=-0.039) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.107 K(o=-0.11,f=-1.6) USER MOD Single : A 41 GLN : amide:sc= 0.501 K(o=0.5,f=-2.6) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.0166 X(o=-0.017,f=0) USER MOD Single : A 59 TYR OH : rot 130:sc= 0.568 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= -0.128 X(o=-0.13,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -150:sc= 0.611 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=-0.041) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.562 -7.481 -5.124 1.00 9.67 N ATOM 2 CA MET A 1 11.523 -7.650 -3.623 1.00 10.38 C ATOM 3 C MET A 1 10.135 -7.877 -3.144 1.00 9.62 C ATOM 4 O MET A 1 9.187 -7.402 -3.779 1.00 9.62 O ATOM 5 CB MET A 1 12.261 -6.543 -2.879 1.00 13.77 C ATOM 6 CG MET A 1 11.465 -5.272 -2.719 1.00 16.29 C ATOM 7 SD MET A 1 12.480 -3.914 -1.994 1.00 17.17 S ATOM 8 CE MET A 1 11.001 -2.951 -1.595 1.00 16.11 C ATOM 0 H1 MET A 1 12.548 -7.375 -5.436 1.00 9.67 H new ATOM 0 H2 MET A 1 11.143 -8.317 -5.579 1.00 9.67 H new ATOM 0 H3 MET A 1 11.021 -6.634 -5.392 1.00 9.67 H new ATOM 0 HA MET A 1 12.083 -8.554 -3.382 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.543 -6.909 -1.892 1.00 13.77 H new ATOM 0 HB3 MET A 1 13.185 -6.316 -3.411 1.00 13.77 H new ATOM 0 HG2 MET A 1 11.080 -4.960 -3.690 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.602 -5.462 -2.080 1.00 16.29 H new ATOM 0 HE1 MET A 1 11.289 -1.933 -1.334 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.336 -2.930 -2.459 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.485 -3.409 -0.751 1.00 16.11 H new ATOM 20 N GLN A 2 9.903 -8.642 -1.993 1.00 9.27 N ATOM 21 CA GLN A 2 8.553 -9.017 -1.528 1.00 9.07 C ATOM 22 C GLN A 2 8.211 -8.207 -0.319 1.00 8.72 C ATOM 23 O GLN A 2 9.128 -7.996 0.478 1.00 8.22 O ATOM 24 CB GLN A 2 8.425 -10.525 -1.188 1.00 14.46 C ATOM 25 CG GLN A 2 8.677 -11.479 -2.350 1.00 17.01 C ATOM 26 CD GLN A 2 8.246 -12.877 -1.978 1.00 20.10 C ATOM 27 OE1 GLN A 2 7.224 -13.391 -2.418 1.00 21.89 O ATOM 28 NE2 GLN A 2 9.001 -13.479 -1.034 1.00 19.49 N ATOM 0 H GLN A 2 10.653 -8.993 -1.397 1.00 9.27 H new ATOM 0 HA GLN A 2 7.861 -8.815 -2.346 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.126 -10.761 -0.387 1.00 14.46 H new ATOM 0 HB3 GLN A 2 7.424 -10.709 -0.799 1.00 14.46 H new ATOM 0 HG2 GLN A 2 8.129 -11.144 -3.231 1.00 17.01 H new ATOM 0 HG3 GLN A 2 9.735 -11.474 -2.612 1.00 17.01 H new ATOM 0 HE21 GLN A 2 9.846 -13.023 -0.690 1.00 19.49 H new ATOM 0 HE22 GLN A 2 8.726 -14.390 -0.665 1.00 19.49 H new ATOM 37 N ILE A 3 6.955 -7.673 -0.207 1.00 5.87 N ATOM 38 CA ILE A 3 6.457 -6.877 0.930 1.00 5.07 C ATOM 39 C ILE A 3 5.162 -7.503 1.388 1.00 4.01 C ATOM 40 O ILE A 3 4.462 -8.207 0.635 1.00 4.61 O ATOM 41 CB ILE A 3 6.261 -5.384 0.473 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.438 -5.275 -0.745 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.631 -4.671 0.503 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.959 -3.831 -0.944 1.00 10.83 C ATOM 0 H ILE A 3 6.251 -7.796 -0.935 1.00 5.87 H new ATOM 0 HA ILE A 3 7.163 -6.871 1.760 1.00 5.07 H new ATOM 0 HB ILE A 3 5.645 -4.822 1.175 1.00 6.55 H new ATOM 0 HG12 ILE A 3 6.017 -5.595 -1.612 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.579 -5.942 -0.671 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.509 -3.635 0.188 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.033 -4.698 1.516 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.319 -5.177 -0.174 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.353 -3.770 -1.848 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.362 -3.524 -0.085 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.822 -3.172 -1.040 1.00 10.83 H new ATOM 56 N PHE A 4 4.786 -7.287 2.660 1.00 4.55 N ATOM 57 CA PHE A 4 3.533 -7.724 3.171 1.00 4.68 C ATOM 58 C PHE A 4 2.555 -6.551 3.336 1.00 5.30 C ATOM 59 O PHE A 4 2.957 -5.413 3.614 1.00 5.58 O ATOM 60 CB PHE A 4 3.673 -8.414 4.614 1.00 4.83 C ATOM 61 CG PHE A 4 4.744 -9.438 4.518 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.541 -10.618 3.807 1.00 6.69 C ATOM 63 CD2 PHE A 4 6.026 -9.147 5.042 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.605 -11.571 3.631 1.00 9.10 C ATOM 65 CE2 PHE A 4 7.036 -10.124 4.967 1.00 10.61 C ATOM 66 CZ PHE A 4 6.808 -11.286 4.256 1.00 8.90 C ATOM 0 H PHE A 4 5.365 -6.800 3.343 1.00 4.55 H new ATOM 0 HA PHE A 4 3.160 -8.445 2.444 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.920 -7.671 5.372 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.730 -8.872 4.913 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.570 -10.821 3.381 1.00 6.69 H new ATOM 0 HD2 PHE A 4 6.227 -8.187 5.494 1.00 8.34 H new ATOM 0 HE1 PHE A 4 5.472 -12.465 3.040 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.983 -9.966 5.462 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.608 -12.008 4.184 1.00 8.90 H new ATOM 76 N VAL A 5 1.191 -6.789 3.133 1.00 4.44 N ATOM 77 CA VAL A 5 0.227 -5.753 3.281 1.00 3.87 C ATOM 78 C VAL A 5 -0.902 -6.345 4.080 1.00 4.93 C ATOM 79 O VAL A 5 -1.583 -7.342 3.809 1.00 6.84 O ATOM 80 CB VAL A 5 -0.367 -5.256 1.962 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.325 -4.092 2.305 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.672 -4.828 0.924 1.00 9.13 C ATOM 0 H VAL A 5 0.802 -7.695 2.872 1.00 4.44 H new ATOM 0 HA VAL A 5 0.721 -4.900 3.747 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.892 -6.085 1.487 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -1.772 -3.707 1.389 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.111 -4.451 2.969 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -0.768 -3.296 2.800 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.165 -4.490 0.020 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.276 -4.015 1.327 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.316 -5.674 0.684 1.00 9.13 H new ATOM 92 N LYS A 6 -1.076 -5.780 5.266 1.00 6.04 N ATOM 93 CA LYS A 6 -2.077 -6.236 6.208 1.00 6.12 C ATOM 94 C LYS A 6 -3.394 -5.471 5.973 1.00 6.57 C ATOM 95 O LYS A 6 -3.565 -4.252 6.126 1.00 5.76 O ATOM 96 CB LYS A 6 -1.594 -6.122 7.663 1.00 7.45 C ATOM 97 CG LYS A 6 -0.549 -7.224 7.968 1.00 11.12 C ATOM 98 CD LYS A 6 -0.342 -7.428 9.459 1.00 14.54 C ATOM 99 CE LYS A 6 0.530 -8.610 9.838 1.00 18.84 C ATOM 100 NZ LYS A 6 -0.104 -9.911 9.405 1.00 20.55 N ATOM 0 H LYS A 6 -0.523 -4.990 5.599 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.258 -7.297 6.036 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.156 -5.138 7.832 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.441 -6.215 8.343 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -0.872 -8.162 7.517 1.00 11.12 H new ATOM 0 HG3 LYS A 6 0.401 -6.958 7.505 1.00 11.12 H new ATOM 0 HD2 LYS A 6 0.101 -6.523 9.874 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -1.317 -7.551 9.931 1.00 14.54 H new ATOM 0 HE2 LYS A 6 1.511 -8.507 9.373 1.00 18.84 H new ATOM 0 HE3 LYS A 6 0.688 -8.619 10.917 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 0.631 -10.640 9.309 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -0.800 -10.212 10.117 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.581 -9.777 8.490 1.00 20.55 H new ATOM 114 N THR A 7 -4.508 -6.254 5.783 1.00 7.41 N ATOM 115 CA THR A 7 -5.874 -5.797 5.615 1.00 7.48 C ATOM 116 C THR A 7 -6.766 -6.337 6.648 1.00 8.75 C ATOM 117 O THR A 7 -6.820 -7.526 6.958 1.00 8.58 O ATOM 118 CB THR A 7 -6.423 -5.913 4.197 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.678 -5.155 4.040 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.696 -7.396 3.850 1.00 9.17 C ATOM 0 H THR A 7 -4.440 -7.271 5.746 1.00 7.41 H new ATOM 0 HA THR A 7 -5.837 -4.719 5.772 1.00 7.48 H new ATOM 0 HB THR A 7 -5.673 -5.499 3.524 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.003 -5.248 3.120 1.00 11.78 H new ATOM 0 HG21 THR A 7 -7.088 -7.466 2.835 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.768 -7.963 3.921 1.00 9.17 H new ATOM 0 HG23 THR A 7 -7.425 -7.805 4.549 1.00 9.17 H new ATOM 128 N LEU A 8 -7.627 -5.470 7.278 1.00 9.84 N ATOM 129 CA LEU A 8 -8.243 -5.518 8.633 1.00 14.15 C ATOM 130 C LEU A 8 -9.359 -6.509 8.706 1.00 17.37 C ATOM 131 O LEU A 8 -9.877 -6.941 9.734 1.00 17.01 O ATOM 132 CB LEU A 8 -8.842 -4.125 9.027 1.00 16.63 C ATOM 133 CG LEU A 8 -7.833 -3.020 9.255 1.00 18.88 C ATOM 134 CD1 LEU A 8 -8.511 -1.666 9.400 1.00 19.31 C ATOM 135 CD2 LEU A 8 -6.954 -3.218 10.532 1.00 18.59 C ATOM 0 H LEU A 8 -7.934 -4.631 6.786 1.00 9.84 H new ATOM 0 HA LEU A 8 -7.443 -5.807 9.315 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -9.528 -3.809 8.241 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -9.432 -4.247 9.935 1.00 16.63 H new ATOM 0 HG LEU A 8 -7.195 -3.059 8.372 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -7.756 -0.897 9.562 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -9.070 -1.440 8.492 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -9.193 -1.690 10.250 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -6.256 -2.386 10.626 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -7.595 -3.256 11.413 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -6.397 -4.151 10.449 1.00 18.59 H new ATOM 147 N THR A 9 -9.784 -7.046 7.550 1.00 18.33 N ATOM 148 CA THR A 9 -10.875 -8.014 7.549 1.00 19.24 C ATOM 149 C THR A 9 -10.376 -9.481 7.642 1.00 19.48 C ATOM 150 O THR A 9 -11.188 -10.392 7.596 1.00 23.14 O ATOM 151 CB THR A 9 -11.818 -7.852 6.356 1.00 18.97 C ATOM 152 OG1 THR A 9 -11.056 -7.659 5.168 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.660 -6.623 6.571 1.00 19.70 C ATOM 0 H THR A 9 -9.397 -6.829 6.632 1.00 18.33 H new ATOM 0 HA THR A 9 -11.444 -7.794 8.452 1.00 19.24 H new ATOM 0 HB THR A 9 -12.441 -8.742 6.262 1.00 18.97 H new ATOM 0 HG1 THR A 9 -11.661 -7.557 4.404 1.00 20.24 H new ATOM 0 HG21 THR A 9 -13.338 -6.494 5.727 1.00 19.70 H new ATOM 0 HG22 THR A 9 -13.239 -6.734 7.488 1.00 19.70 H new ATOM 0 HG23 THR A 9 -12.014 -5.749 6.654 1.00 19.70 H new ATOM 161 N GLY A 10 -9.050 -9.702 7.749 1.00 19.43 N ATOM 162 CA GLY A 10 -8.461 -11.021 8.143 1.00 18.74 C ATOM 163 C GLY A 10 -7.398 -11.571 7.261 1.00 17.62 C ATOM 164 O GLY A 10 -6.951 -12.712 7.444 1.00 19.74 O ATOM 0 H GLY A 10 -8.351 -8.982 7.568 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -8.051 -10.923 9.148 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -9.269 -11.751 8.197 1.00 18.74 H new ATOM 168 N LYS A 11 -7.008 -10.750 6.236 1.00 13.56 N ATOM 169 CA LYS A 11 -6.036 -11.201 5.265 1.00 11.91 C ATOM 170 C LYS A 11 -4.804 -10.314 5.239 1.00 10.18 C ATOM 171 O LYS A 11 -4.813 -9.122 5.575 1.00 9.10 O ATOM 172 CB LYS A 11 -6.606 -11.213 3.822 1.00 13.43 C ATOM 173 CG LYS A 11 -7.729 -12.294 3.597 1.00 16.69 C ATOM 174 CD LYS A 11 -8.321 -12.448 2.238 1.00 17.92 C ATOM 175 CE LYS A 11 -7.315 -12.964 1.226 1.00 20.81 C ATOM 176 NZ LYS A 11 -7.840 -12.880 -0.159 1.00 21.93 N ATOM 0 H LYS A 11 -7.358 -9.803 6.088 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.776 -12.212 5.579 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.011 -10.227 3.592 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -5.792 -11.395 3.120 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -7.318 -13.261 3.889 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -8.543 -12.072 4.287 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -9.167 -13.134 2.288 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -8.710 -11.487 1.903 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -6.393 -12.387 1.302 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -7.063 -13.999 1.458 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -7.108 -13.193 -0.828 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -8.677 -13.491 -0.251 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -8.104 -11.897 -0.371 1.00 21.93 H new ATOM 190 N THR A 12 -3.629 -10.907 4.992 1.00 9.63 N ATOM 191 CA THR A 12 -2.342 -10.283 4.824 1.00 9.85 C ATOM 192 C THR A 12 -1.852 -10.746 3.523 1.00 11.66 C ATOM 193 O THR A 12 -1.624 -11.973 3.345 1.00 12.33 O ATOM 194 CB THR A 12 -1.324 -10.787 5.874 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.730 -10.359 7.154 1.00 10.91 O ATOM 196 CG2 THR A 12 -0.001 -10.117 5.572 1.00 9.63 C ATOM 0 H THR A 12 -3.566 -11.921 4.900 1.00 9.63 H new ATOM 0 HA THR A 12 -2.441 -9.202 4.917 1.00 9.85 H new ATOM 0 HB THR A 12 -1.251 -11.874 5.844 1.00 10.85 H new ATOM 0 HG1 THR A 12 -1.729 -11.122 7.770 1.00 10.91 H new ATOM 0 HG21 THR A 12 0.747 -10.447 6.293 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.321 -10.385 4.566 1.00 9.63 H new ATOM 0 HG23 THR A 12 -0.117 -9.035 5.639 1.00 9.63 H new ATOM 204 N ILE A 13 -1.634 -9.859 2.557 1.00 10.42 N ATOM 205 CA ILE A 13 -1.422 -10.213 1.189 1.00 11.84 C ATOM 206 C ILE A 13 0.072 -9.954 0.975 1.00 10.55 C ATOM 207 O ILE A 13 0.647 -9.138 1.649 1.00 11.92 O ATOM 208 CB ILE A 13 -2.303 -9.516 0.223 1.00 14.86 C ATOM 209 CG1 ILE A 13 -2.363 -7.978 0.329 1.00 14.87 C ATOM 210 CG2 ILE A 13 -3.724 -10.149 0.449 1.00 17.08 C ATOM 211 CD1 ILE A 13 -3.348 -7.276 -0.627 1.00 16.46 C ATOM 0 H ILE A 13 -1.602 -8.853 2.725 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.694 -11.251 0.995 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.899 -9.659 -0.779 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -2.629 -7.714 1.352 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -1.364 -7.581 0.147 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -4.440 -9.687 -0.230 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -3.680 -11.221 0.256 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -4.039 -9.979 1.479 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -3.307 -6.199 -0.465 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.075 -7.499 -1.659 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.360 -7.633 -0.434 1.00 16.46 H new ATOM 223 N THR A 14 0.724 -10.835 0.170 1.00 9.39 N ATOM 224 CA THR A 14 2.180 -10.752 -0.239 1.00 9.63 C ATOM 225 C THR A 14 2.233 -10.237 -1.642 1.00 11.20 C ATOM 226 O THR A 14 1.609 -10.791 -2.540 1.00 11.63 O ATOM 227 CB THR A 14 3.002 -12.010 -0.138 1.00 10.38 C ATOM 228 OG1 THR A 14 2.955 -12.592 1.177 1.00 16.30 O ATOM 229 CG2 THR A 14 4.465 -11.517 -0.325 1.00 11.66 C ATOM 0 H THR A 14 0.254 -11.647 -0.230 1.00 9.39 H new ATOM 0 HA THR A 14 2.642 -10.088 0.492 1.00 9.63 H new ATOM 0 HB THR A 14 2.644 -12.748 -0.856 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.458 -12.029 1.802 1.00 16.30 H new ATOM 0 HG21 THR A 14 5.145 -12.367 -0.267 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.566 -11.037 -1.299 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.711 -10.801 0.459 1.00 11.66 H new ATOM 237 N LEU A 15 2.999 -9.168 -1.918 1.00 8.29 N ATOM 238 CA LEU A 15 3.168 -8.530 -3.213 1.00 9.03 C ATOM 239 C LEU A 15 4.663 -8.508 -3.579 1.00 8.59 C ATOM 240 O LEU A 15 5.611 -8.092 -2.932 1.00 7.79 O ATOM 241 CB LEU A 15 2.788 -7.014 -3.293 1.00 11.08 C ATOM 242 CG LEU A 15 1.343 -6.781 -2.815 1.00 15.79 C ATOM 243 CD1 LEU A 15 0.920 -5.257 -2.846 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.332 -7.640 -3.546 1.00 15.27 C ATOM 0 H LEU A 15 3.546 -8.706 -1.191 1.00 8.29 H new ATOM 0 HA LEU A 15 2.512 -9.113 -3.859 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.476 -6.430 -2.681 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.897 -6.662 -4.319 1.00 11.08 H new ATOM 0 HG LEU A 15 1.338 -7.096 -1.771 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -0.108 -5.158 -2.498 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.580 -4.683 -2.196 1.00 15.88 H new ATOM 0 HD13 LEU A 15 0.996 -4.879 -3.865 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.667 -7.430 -3.165 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.368 -7.416 -4.612 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.567 -8.693 -3.388 1.00 15.27 H new ATOM 256 N GLU A 16 4.930 -8.925 -4.819 1.00 11.04 N ATOM 257 CA GLU A 16 6.176 -8.641 -5.596 1.00 11.50 C ATOM 258 C GLU A 16 6.303 -7.197 -6.076 1.00 10.13 C ATOM 259 O GLU A 16 5.511 -6.761 -6.940 1.00 9.83 O ATOM 260 CB GLU A 16 6.437 -9.632 -6.753 1.00 17.22 C ATOM 261 CG GLU A 16 7.823 -9.581 -7.520 1.00 23.33 C ATOM 262 CD GLU A 16 9.060 -9.705 -6.607 1.00 26.99 C ATOM 263 OE1 GLU A 16 9.167 -10.690 -5.844 1.00 28.86 O ATOM 264 OE2 GLU A 16 10.010 -8.894 -6.762 1.00 28.90 O ATOM 0 H GLU A 16 4.268 -9.494 -5.346 1.00 11.04 H new ATOM 0 HA GLU A 16 6.964 -8.796 -4.859 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.320 -10.640 -6.354 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.648 -9.488 -7.492 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.847 -10.385 -8.256 1.00 23.33 H new ATOM 0 HG3 GLU A 16 7.885 -8.643 -8.071 1.00 23.33 H new ATOM 271 N VAL A 17 7.339 -6.362 -5.651 1.00 8.99 N ATOM 272 CA VAL A 17 7.459 -4.913 -5.984 1.00 8.85 C ATOM 273 C VAL A 17 8.949 -4.606 -6.128 1.00 8.04 C ATOM 274 O VAL A 17 9.837 -5.402 -5.770 1.00 8.99 O ATOM 275 CB VAL A 17 6.821 -3.924 -4.940 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.325 -4.186 -4.835 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.544 -4.016 -3.597 1.00 10.54 C ATOM 0 H VAL A 17 8.105 -6.699 -5.067 1.00 8.99 H new ATOM 0 HA VAL A 17 6.893 -4.749 -6.901 1.00 8.85 H new ATOM 0 HB VAL A 17 6.945 -2.896 -5.280 1.00 9.78 H new ATOM 0 HG11 VAL A 17 4.885 -3.500 -4.111 1.00 12.05 H new ATOM 0 HG12 VAL A 17 4.860 -4.033 -5.809 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.157 -5.213 -4.510 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.087 -3.324 -2.890 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.467 -5.033 -3.211 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.594 -3.757 -3.731 1.00 10.54 H new ATOM 287 N GLU A 18 9.243 -3.414 -6.617 1.00 7.29 N ATOM 288 CA GLU A 18 10.535 -2.790 -6.683 1.00 7.08 C ATOM 289 C GLU A 18 10.501 -1.505 -5.984 1.00 6.45 C ATOM 290 O GLU A 18 9.406 -0.959 -6.004 1.00 5.28 O ATOM 291 CB GLU A 18 11.072 -2.623 -8.155 1.00 10.28 C ATOM 292 CG GLU A 18 11.232 -3.980 -8.962 1.00 12.65 C ATOM 293 CD GLU A 18 12.241 -4.838 -8.207 1.00 14.15 C ATOM 294 OE1 GLU A 18 13.416 -4.363 -8.088 1.00 18.17 O ATOM 295 OE2 GLU A 18 11.963 -6.063 -7.940 1.00 14.33 O ATOM 0 H GLU A 18 8.516 -2.815 -7.009 1.00 7.29 H new ATOM 0 HA GLU A 18 11.240 -3.456 -6.186 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.393 -1.969 -8.702 1.00 10.28 H new ATOM 0 HB3 GLU A 18 12.039 -2.121 -8.119 1.00 10.28 H new ATOM 0 HG2 GLU A 18 10.274 -4.494 -9.043 1.00 12.65 H new ATOM 0 HG3 GLU A 18 11.576 -3.785 -9.978 1.00 12.65 H new ATOM 302 N PRO A 19 11.547 -0.963 -5.306 1.00 7.24 N ATOM 303 CA PRO A 19 11.335 0.223 -4.496 1.00 7.07 C ATOM 304 C PRO A 19 11.102 1.513 -5.279 1.00 6.65 C ATOM 305 O PRO A 19 10.743 2.501 -4.697 1.00 6.37 O ATOM 306 CB PRO A 19 12.675 0.300 -3.755 1.00 7.61 C ATOM 307 CG PRO A 19 13.703 -0.228 -4.782 1.00 8.16 C ATOM 308 CD PRO A 19 12.913 -1.344 -5.455 1.00 7.49 C ATOM 0 HA PRO A 19 10.435 0.142 -3.887 1.00 7.07 H new ATOM 0 HB2 PRO A 19 12.904 1.321 -3.450 1.00 7.61 H new ATOM 0 HB3 PRO A 19 12.666 -0.308 -2.851 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.009 0.543 -5.490 1.00 8.16 H new ATOM 0 HG3 PRO A 19 14.609 -0.598 -4.302 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.184 -1.442 -6.506 1.00 7.49 H new ATOM 0 HD3 PRO A 19 13.109 -2.307 -4.984 1.00 7.49 H new ATOM 316 N SER A 20 11.278 1.424 -6.639 1.00 6.80 N ATOM 317 CA SER A 20 10.937 2.447 -7.550 1.00 6.28 C ATOM 318 C SER A 20 9.445 2.475 -7.859 1.00 8.45 C ATOM 319 O SER A 20 8.977 3.483 -8.394 1.00 7.26 O ATOM 320 CB SER A 20 11.623 2.157 -8.874 1.00 8.57 C ATOM 321 OG SER A 20 11.345 0.854 -9.387 1.00 11.13 O ATOM 0 H SER A 20 11.674 0.599 -7.090 1.00 6.80 H new ATOM 0 HA SER A 20 11.238 3.392 -7.098 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.311 2.901 -9.606 1.00 8.57 H new ATOM 0 HB3 SER A 20 12.700 2.267 -8.748 1.00 8.57 H new ATOM 0 HG SER A 20 11.813 0.731 -10.239 1.00 11.13 H new ATOM 327 N ASP A 21 8.623 1.468 -7.480 1.00 7.50 N ATOM 328 CA ASP A 21 7.129 1.545 -7.466 1.00 7.70 C ATOM 329 C ASP A 21 6.602 2.666 -6.584 1.00 7.08 C ATOM 330 O ASP A 21 7.180 2.941 -5.513 1.00 8.11 O ATOM 331 CB ASP A 21 6.531 0.175 -7.116 1.00 11.00 C ATOM 332 CG ASP A 21 6.824 -0.805 -8.249 1.00 15.32 C ATOM 333 OD1 ASP A 21 6.744 -0.409 -9.427 1.00 14.36 O ATOM 334 OD2 ASP A 21 7.283 -1.935 -7.993 1.00 18.03 O ATOM 0 H ASP A 21 8.977 0.563 -7.170 1.00 7.50 H new ATOM 0 HA ASP A 21 6.798 1.805 -8.472 1.00 7.70 H new ATOM 0 HB2 ASP A 21 6.956 -0.193 -6.182 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.455 0.263 -6.964 1.00 11.00 H new ATOM 339 N THR A 22 5.557 3.323 -7.029 1.00 5.37 N ATOM 340 CA THR A 22 4.879 4.291 -6.181 1.00 6.01 C ATOM 341 C THR A 22 3.835 3.601 -5.303 1.00 8.01 C ATOM 342 O THR A 22 3.431 2.457 -5.462 1.00 8.11 O ATOM 343 CB THR A 22 4.300 5.344 -7.042 1.00 8.92 C ATOM 344 OG1 THR A 22 3.334 4.832 -7.997 1.00 10.22 O ATOM 345 CG2 THR A 22 5.392 6.057 -7.840 1.00 9.65 C ATOM 0 H THR A 22 5.157 3.212 -7.961 1.00 5.37 H new ATOM 0 HA THR A 22 5.585 4.760 -5.495 1.00 6.01 H new ATOM 0 HB THR A 22 3.797 6.028 -6.359 1.00 8.92 H new ATOM 0 HG1 THR A 22 2.984 5.571 -8.537 1.00 10.22 H new ATOM 0 HG21 THR A 22 4.941 6.827 -8.466 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.103 6.517 -7.153 1.00 9.65 H new ATOM 0 HG23 THR A 22 5.912 5.336 -8.470 1.00 9.65 H new ATOM 353 N ILE A 23 3.356 4.369 -4.311 1.00 8.32 N ATOM 354 CA ILE A 23 2.251 4.044 -3.452 1.00 9.92 C ATOM 355 C ILE A 23 1.011 3.675 -4.287 1.00 10.01 C ATOM 356 O ILE A 23 0.340 2.639 -4.099 1.00 8.71 O ATOM 357 CB ILE A 23 1.975 5.078 -2.271 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.230 5.536 -1.611 1.00 11.38 C ATOM 359 CG2 ILE A 23 0.991 4.485 -1.200 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.056 4.392 -1.003 1.00 12.30 C ATOM 0 H ILE A 23 3.764 5.277 -4.091 1.00 8.32 H new ATOM 0 HA ILE A 23 2.544 3.155 -2.894 1.00 9.92 H new ATOM 0 HB ILE A 23 1.506 5.946 -2.734 1.00 10.78 H new ATOM 0 HG12 ILE A 23 3.842 6.067 -2.340 1.00 11.38 H new ATOM 0 HG13 ILE A 23 2.979 6.249 -0.826 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.827 5.219 -0.411 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.040 4.243 -1.674 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.422 3.581 -0.771 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.955 4.799 -0.540 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.462 3.875 -0.250 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.338 3.690 -1.788 1.00 12.30 H new ATOM 372 N GLU A 24 0.766 4.514 -5.378 1.00 9.54 N ATOM 373 CA GLU A 24 -0.236 4.254 -6.371 1.00 11.81 C ATOM 374 C GLU A 24 -0.082 2.906 -7.029 1.00 11.14 C ATOM 375 O GLU A 24 -1.078 2.215 -7.185 1.00 10.62 O ATOM 376 CB GLU A 24 -0.164 5.374 -7.420 1.00 19.24 C ATOM 377 CG GLU A 24 -0.967 5.295 -8.754 1.00 27.76 C ATOM 378 CD GLU A 24 -2.365 5.806 -8.599 1.00 32.92 C ATOM 379 OE1 GLU A 24 -2.552 6.877 -7.973 1.00 34.80 O ATOM 380 OE2 GLU A 24 -3.268 5.269 -9.258 1.00 36.51 O ATOM 0 H GLU A 24 1.287 5.375 -5.543 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.209 4.235 -5.881 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.468 6.295 -6.922 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.886 5.489 -7.689 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -0.453 5.874 -9.521 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -0.995 4.262 -9.099 1.00 27.76 H new ATOM 387 N ASN A 25 1.133 2.527 -7.444 1.00 9.43 N ATOM 388 CA ASN A 25 1.507 1.247 -8.112 1.00 10.96 C ATOM 389 C ASN A 25 1.287 0.057 -7.144 1.00 9.68 C ATOM 390 O ASN A 25 0.725 -0.954 -7.528 1.00 9.33 O ATOM 391 CB ASN A 25 2.983 1.294 -8.631 1.00 16.78 C ATOM 392 CG ASN A 25 3.140 1.817 -10.040 1.00 22.31 C ATOM 393 OD1 ASN A 25 2.806 1.161 -11.015 1.00 25.66 O ATOM 394 ND2 ASN A 25 3.663 3.092 -10.192 1.00 24.70 N ATOM 0 H ASN A 25 1.942 3.136 -7.320 1.00 9.43 H new ATOM 0 HA ASN A 25 0.863 1.106 -8.980 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.571 1.919 -7.958 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.403 0.290 -8.582 1.00 16.78 H new ATOM 0 HD21 ASN A 25 3.772 3.491 -11.125 1.00 24.70 H new ATOM 0 HD22 ASN A 25 3.939 3.631 -9.371 1.00 24.70 H new ATOM 401 N VAL A 26 1.564 0.219 -5.823 1.00 6.52 N ATOM 402 CA VAL A 26 1.167 -0.770 -4.786 1.00 5.53 C ATOM 403 C VAL A 26 -0.376 -0.888 -4.730 1.00 4.42 C ATOM 404 O VAL A 26 -0.871 -2.005 -4.841 1.00 3.40 O ATOM 405 CB VAL A 26 1.711 -0.278 -3.452 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.270 -1.187 -2.298 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.261 -0.338 -3.499 1.00 8.12 C ATOM 0 H VAL A 26 2.062 1.028 -5.451 1.00 6.52 H new ATOM 0 HA VAL A 26 1.569 -1.756 -5.018 1.00 5.53 H new ATOM 0 HB VAL A 26 1.336 0.732 -3.289 1.00 3.86 H new ATOM 0 HG11 VAL A 26 1.676 -0.807 -1.360 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.182 -1.203 -2.243 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.639 -2.198 -2.470 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.668 0.012 -2.550 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.580 -1.365 -3.674 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.625 0.298 -4.306 1.00 8.12 H new ATOM 417 N LYS A 27 -1.203 0.207 -4.716 1.00 2.64 N ATOM 418 CA LYS A 27 -2.637 0.088 -4.752 1.00 4.14 C ATOM 419 C LYS A 27 -3.159 -0.575 -6.052 1.00 5.58 C ATOM 420 O LYS A 27 -4.167 -1.325 -6.021 1.00 4.11 O ATOM 421 CB LYS A 27 -3.337 1.510 -4.552 1.00 3.97 C ATOM 422 CG LYS A 27 -2.971 2.140 -3.252 1.00 7.45 C ATOM 423 CD LYS A 27 -3.544 3.581 -3.018 1.00 9.02 C ATOM 424 CE LYS A 27 -2.853 4.435 -1.965 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.637 5.604 -1.652 1.00 15.47 N ATOM 0 H LYS A 27 -0.866 1.169 -4.680 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.903 -0.568 -3.923 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -3.050 2.173 -5.368 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.419 1.391 -4.604 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -3.317 1.494 -2.445 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.884 2.184 -3.182 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -3.509 4.118 -3.966 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.595 3.488 -2.743 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -2.694 3.847 -1.061 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -1.870 4.738 -2.325 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.206 6.107 -0.850 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.668 6.233 -2.479 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.604 5.316 -1.400 1.00 15.47 H new ATOM 439 N ALA A 28 -2.501 -0.367 -7.151 1.00 6.61 N ATOM 440 CA ALA A 28 -2.716 -1.023 -8.416 1.00 7.74 C ATOM 441 C ALA A 28 -2.471 -2.509 -8.349 1.00 9.17 C ATOM 442 O ALA A 28 -3.294 -3.350 -8.767 1.00 11.45 O ATOM 443 CB ALA A 28 -1.782 -0.470 -9.558 1.00 7.68 C ATOM 0 H ALA A 28 -1.743 0.314 -7.196 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.761 -0.816 -8.644 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -1.989 -1.002 -10.487 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -1.971 0.594 -9.699 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.739 -0.619 -9.279 1.00 7.68 H new ATOM 449 N LYS A 29 -1.375 -2.937 -7.689 1.00 8.96 N ATOM 450 CA LYS A 29 -1.072 -4.346 -7.456 1.00 7.90 C ATOM 451 C LYS A 29 -2.105 -4.986 -6.583 1.00 6.92 C ATOM 452 O LYS A 29 -2.558 -6.092 -6.796 1.00 6.87 O ATOM 453 CB LYS A 29 0.351 -4.405 -6.906 1.00 10.28 C ATOM 454 CG LYS A 29 0.882 -5.816 -6.892 1.00 14.94 C ATOM 455 CD LYS A 29 1.513 -6.099 -8.227 1.00 19.69 C ATOM 456 CE LYS A 29 2.281 -7.425 -8.293 1.00 22.63 C ATOM 457 NZ LYS A 29 2.700 -7.800 -9.701 1.00 24.98 N ATOM 0 H LYS A 29 -0.676 -2.302 -7.304 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.112 -4.931 -8.375 1.00 7.90 H new ATOM 0 HB2 LYS A 29 1.003 -3.776 -7.513 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.368 -3.999 -5.895 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.614 -5.938 -6.093 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.076 -6.523 -6.696 1.00 14.94 H new ATOM 0 HD2 LYS A 29 0.734 -6.105 -8.990 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.195 -5.285 -8.474 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.168 -7.356 -7.663 1.00 22.63 H new ATOM 0 HE3 LYS A 29 1.658 -8.220 -7.882 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 3.214 -8.704 -9.681 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 1.856 -7.895 -10.301 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 3.318 -7.059 -10.088 1.00 24.98 H new ATOM 471 N ILE A 30 -2.558 -4.273 -5.559 1.00 4.57 N ATOM 472 CA ILE A 30 -3.603 -4.593 -4.581 1.00 5.58 C ATOM 473 C ILE A 30 -4.929 -4.732 -5.191 1.00 7.26 C ATOM 474 O ILE A 30 -5.754 -5.604 -4.843 1.00 9.46 O ATOM 475 CB ILE A 30 -3.684 -3.600 -3.397 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.396 -3.730 -2.547 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.928 -3.865 -2.439 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.246 -2.659 -1.477 1.00 2.00 C ATOM 0 H ILE A 30 -2.161 -3.353 -5.369 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.295 -5.559 -4.180 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.799 -2.605 -3.827 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.387 -4.710 -2.069 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.531 -3.690 -3.209 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.926 -3.135 -1.630 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.852 -3.773 -3.009 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.858 -4.869 -2.021 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.319 -2.822 -0.927 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.221 -1.676 -1.947 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.090 -2.711 -0.789 1.00 2.00 H new ATOM 490 N GLN A 31 -5.208 -3.883 -6.192 1.00 7.06 N ATOM 491 CA GLN A 31 -6.466 -4.006 -6.934 1.00 8.67 C ATOM 492 C GLN A 31 -6.467 -5.283 -7.768 1.00 10.90 C ATOM 493 O GLN A 31 -7.540 -5.922 -7.885 1.00 9.63 O ATOM 494 CB GLN A 31 -6.650 -2.841 -7.884 1.00 9.12 C ATOM 495 CG GLN A 31 -8.114 -2.738 -8.542 1.00 10.76 C ATOM 496 CD GLN A 31 -8.388 -1.623 -9.561 1.00 13.78 C ATOM 497 OE1 GLN A 31 -9.418 -0.950 -9.568 1.00 14.48 O ATOM 498 NE2 GLN A 31 -7.427 -1.283 -10.432 1.00 14.76 N ATOM 0 H GLN A 31 -4.597 -3.125 -6.498 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.273 -4.023 -6.202 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.441 -1.915 -7.348 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.912 -2.920 -8.682 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.325 -3.690 -9.029 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.834 -2.629 -7.731 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -6.556 -1.812 -10.462 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -7.567 -0.495 -11.064 1.00 14.76 H new ATOM 507 N ASP A 32 -5.269 -5.630 -8.315 1.00 10.93 N ATOM 508 CA ASP A 32 -5.090 -6.800 -9.169 1.00 14.01 C ATOM 509 C ASP A 32 -5.521 -8.041 -8.457 1.00 14.04 C ATOM 510 O ASP A 32 -6.374 -8.769 -8.936 1.00 13.39 O ATOM 511 CB ASP A 32 -3.652 -6.825 -9.736 1.00 18.01 C ATOM 512 CG ASP A 32 -3.449 -8.075 -10.627 1.00 24.33 C ATOM 513 OD1 ASP A 32 -3.964 -8.093 -11.791 1.00 26.29 O ATOM 514 OD2 ASP A 32 -2.627 -8.919 -10.229 1.00 25.17 O ATOM 0 H ASP A 32 -4.412 -5.097 -8.166 1.00 10.93 H new ATOM 0 HA ASP A 32 -5.741 -6.743 -10.041 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.467 -5.922 -10.317 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -2.931 -6.831 -8.918 1.00 18.01 H new ATOM 519 N LYS A 33 -5.044 -8.259 -7.207 1.00 14.22 N ATOM 520 CA LYS A 33 -5.439 -9.310 -6.393 1.00 14.00 C ATOM 521 C LYS A 33 -6.851 -9.218 -5.785 1.00 12.37 C ATOM 522 O LYS A 33 -7.694 -10.093 -5.950 1.00 12.17 O ATOM 523 CB LYS A 33 -4.413 -9.399 -5.194 1.00 18.62 C ATOM 524 CG LYS A 33 -3.024 -9.944 -5.502 1.00 24.00 C ATOM 525 CD LYS A 33 -2.566 -10.543 -4.160 1.00 27.61 C ATOM 526 CE LYS A 33 -1.145 -11.225 -4.214 1.00 27.64 C ATOM 527 NZ LYS A 33 -1.049 -12.361 -5.172 1.00 30.06 N ATOM 0 H LYS A 33 -4.349 -7.653 -6.771 1.00 14.22 H new ATOM 0 HA LYS A 33 -5.459 -10.184 -7.044 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.298 -8.400 -4.774 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.855 -10.023 -4.417 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -3.054 -10.698 -6.288 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.350 -9.157 -5.841 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.551 -9.754 -3.408 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -3.299 -11.280 -3.834 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.404 -10.473 -4.484 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.888 -11.583 -3.217 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -0.087 -12.754 -5.149 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -1.731 -13.099 -4.905 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -1.262 -12.024 -6.133 1.00 30.06 H new ATOM 541 N GLU A 34 -7.153 -8.057 -5.132 1.00 10.11 N ATOM 542 CA GLU A 34 -8.298 -8.022 -4.271 1.00 10.07 C ATOM 543 C GLU A 34 -9.481 -7.174 -4.777 1.00 9.32 C ATOM 544 O GLU A 34 -10.546 -7.126 -4.183 1.00 11.61 O ATOM 545 CB GLU A 34 -7.941 -7.616 -2.855 1.00 14.77 C ATOM 546 CG GLU A 34 -6.985 -8.616 -2.166 1.00 18.75 C ATOM 547 CD GLU A 34 -7.628 -9.975 -1.894 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.335 -10.204 -0.880 1.00 21.95 O ATOM 549 OE2 GLU A 34 -7.450 -10.836 -2.759 1.00 25.19 O ATOM 0 H GLU A 34 -6.625 -7.187 -5.201 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.645 -9.055 -4.278 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.477 -6.630 -2.871 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.854 -7.529 -2.266 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.104 -8.757 -2.793 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.641 -8.189 -1.224 1.00 18.75 H new ATOM 556 N GLY A 35 -9.358 -6.513 -5.950 1.00 7.22 N ATOM 557 CA GLY A 35 -10.451 -5.844 -6.657 1.00 6.29 C ATOM 558 C GLY A 35 -11.017 -4.635 -5.981 1.00 6.93 C ATOM 559 O GLY A 35 -12.235 -4.530 -5.991 1.00 7.41 O ATOM 0 H GLY A 35 -8.466 -6.433 -6.437 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.095 -5.552 -7.645 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.256 -6.563 -6.808 1.00 6.29 H new ATOM 563 N ILE A 36 -10.119 -3.837 -5.243 1.00 5.86 N ATOM 564 CA ILE A 36 -10.436 -2.721 -4.412 1.00 6.07 C ATOM 565 C ILE A 36 -9.914 -1.483 -5.120 1.00 6.36 C ATOM 566 O ILE A 36 -8.731 -1.378 -5.280 1.00 6.18 O ATOM 567 CB ILE A 36 -9.669 -2.739 -3.123 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.883 -4.119 -2.409 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.246 -1.613 -2.226 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.110 -4.271 -1.088 1.00 9.49 C ATOM 0 H ILE A 36 -9.116 -4.022 -5.259 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.509 -2.742 -4.223 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.605 -2.591 -3.305 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.947 -4.253 -2.212 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.582 -4.917 -3.087 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.712 -1.595 -1.276 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -10.128 -0.652 -2.727 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.304 -1.800 -2.043 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.313 -5.252 -0.659 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.041 -4.172 -1.278 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.428 -3.497 -0.389 1.00 9.49 H new ATOM 582 N PRO A 37 -10.712 -0.526 -5.573 1.00 8.65 N ATOM 583 CA PRO A 37 -10.381 0.642 -6.311 1.00 9.18 C ATOM 584 C PRO A 37 -9.239 1.482 -5.667 1.00 9.85 C ATOM 585 O PRO A 37 -9.435 1.783 -4.495 1.00 8.51 O ATOM 586 CB PRO A 37 -11.717 1.438 -6.301 1.00 11.42 C ATOM 587 CG PRO A 37 -12.763 0.322 -6.377 1.00 9.27 C ATOM 588 CD PRO A 37 -12.144 -0.657 -5.371 1.00 8.33 C ATOM 0 HA PRO A 37 -10.002 0.400 -7.304 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.827 2.037 -5.397 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.789 2.121 -7.147 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.757 0.656 -6.082 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.853 -0.103 -7.377 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.425 -0.406 -4.348 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.479 -1.678 -5.553 1.00 8.33 H new ATOM 596 N PRO A 38 -8.163 1.958 -6.349 1.00 8.71 N ATOM 597 CA PRO A 38 -7.069 2.690 -5.672 1.00 9.08 C ATOM 598 C PRO A 38 -7.391 3.914 -4.953 1.00 9.28 C ATOM 599 O PRO A 38 -6.760 4.208 -3.921 1.00 6.50 O ATOM 600 CB PRO A 38 -5.930 2.784 -6.643 1.00 10.31 C ATOM 601 CG PRO A 38 -6.149 1.571 -7.581 1.00 10.81 C ATOM 602 CD PRO A 38 -7.686 1.327 -7.539 1.00 12.00 C ATOM 0 HA PRO A 38 -6.782 2.105 -4.798 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -5.949 3.725 -7.193 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -4.966 2.730 -6.137 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.807 1.784 -8.594 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.598 0.696 -7.236 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.170 1.746 -8.421 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.910 0.260 -7.529 1.00 12.00 H new ATOM 610 N ASP A 39 -8.381 4.622 -5.382 1.00 11.20 N ATOM 611 CA ASP A 39 -9.051 5.745 -4.720 1.00 14.96 C ATOM 612 C ASP A 39 -9.589 5.442 -3.326 1.00 13.99 C ATOM 613 O ASP A 39 -9.416 6.270 -2.410 1.00 13.75 O ATOM 614 CB ASP A 39 -10.227 6.285 -5.634 1.00 24.16 C ATOM 615 CG ASP A 39 -9.695 6.494 -6.994 1.00 31.06 C ATOM 616 OD1 ASP A 39 -8.903 7.484 -7.111 1.00 34.22 O ATOM 617 OD2 ASP A 39 -9.963 5.802 -7.951 1.00 35.55 O ATOM 0 H ASP A 39 -8.799 4.428 -6.292 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.278 6.501 -4.582 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -11.051 5.572 -5.654 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.622 7.218 -5.233 1.00 24.16 H new ATOM 622 N GLN A 40 -10.162 4.279 -3.127 1.00 11.60 N ATOM 623 CA GLN A 40 -10.613 3.877 -1.805 1.00 10.76 C ATOM 624 C GLN A 40 -9.527 3.600 -0.785 1.00 8.01 C ATOM 625 O GLN A 40 -9.717 3.639 0.419 1.00 8.96 O ATOM 626 CB GLN A 40 -11.489 2.557 -1.925 1.00 11.14 C ATOM 627 CG GLN A 40 -12.306 2.272 -0.646 1.00 14.85 C ATOM 628 CD GLN A 40 -13.052 0.963 -0.716 1.00 16.11 C ATOM 629 OE1 GLN A 40 -12.689 -0.139 -0.259 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.244 1.029 -1.411 1.00 18.16 N ATOM 0 H GLN A 40 -10.330 3.590 -3.860 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.170 4.740 -1.440 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -12.168 2.651 -2.773 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -10.836 1.709 -2.132 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -11.636 2.259 0.214 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -13.016 3.083 -0.484 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.562 1.919 -1.794 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -14.806 0.188 -1.541 1.00 18.16 H new ATOM 639 N GLN A 41 -8.287 3.254 -1.240 1.00 6.52 N ATOM 640 CA GLN A 41 -7.283 2.761 -0.341 1.00 3.87 C ATOM 641 C GLN A 41 -6.394 3.799 0.329 1.00 4.79 C ATOM 642 O GLN A 41 -5.880 4.723 -0.301 1.00 6.34 O ATOM 643 CB GLN A 41 -6.358 1.812 -1.034 1.00 4.20 C ATOM 644 CG GLN A 41 -6.933 0.668 -1.950 1.00 3.20 C ATOM 645 CD GLN A 41 -5.918 -0.155 -2.694 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.841 -0.453 -2.231 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.242 -0.558 -3.951 1.00 7.13 N ATOM 0 H GLN A 41 -7.993 3.318 -2.215 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.886 2.293 0.437 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -5.684 2.409 -1.648 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.750 1.335 -0.265 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.530 -0.001 -1.330 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.610 1.117 -2.677 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.148 -0.311 -4.348 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.579 -1.108 -4.497 1.00 7.13 H new ATOM 656 N ARG A 42 -6.137 3.510 1.591 1.00 5.73 N ATOM 657 CA ARG A 42 -5.272 4.290 2.441 1.00 6.97 C ATOM 658 C ARG A 42 -4.212 3.381 3.040 1.00 7.15 C ATOM 659 O ARG A 42 -4.550 2.395 3.684 1.00 7.33 O ATOM 660 CB ARG A 42 -5.971 4.910 3.619 1.00 13.23 C ATOM 661 CG ARG A 42 -6.989 6.020 3.131 1.00 21.27 C ATOM 662 CD ARG A 42 -7.377 7.001 4.186 1.00 26.14 C ATOM 663 NE ARG A 42 -8.149 8.083 3.516 1.00 32.26 N ATOM 664 CZ ARG A 42 -9.120 8.846 4.040 1.00 34.32 C ATOM 665 NH1 ARG A 42 -9.663 8.570 5.206 1.00 35.30 N ATOM 666 NH2 ARG A 42 -9.588 9.889 3.375 1.00 36.39 N ATOM 0 H ARG A 42 -6.539 2.700 2.063 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.874 5.079 1.803 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.502 4.142 4.181 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.238 5.351 4.295 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -6.547 6.560 2.294 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.889 5.532 2.756 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -7.979 6.520 4.957 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.493 7.407 4.678 1.00 26.14 H new ATOM 0 HE ARG A 42 -7.911 8.266 2.541 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -9.347 7.758 5.736 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -10.400 9.168 5.580 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -9.211 10.119 2.456 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -10.326 10.463 3.781 1.00 36.39 H new ATOM 680 N LEU A 43 -2.938 3.732 2.735 1.00 4.65 N ATOM 681 CA LEU A 43 -1.843 2.946 3.092 1.00 3.51 C ATOM 682 C LEU A 43 -1.051 3.606 4.188 1.00 5.56 C ATOM 683 O LEU A 43 -0.748 4.758 4.077 1.00 4.19 O ATOM 684 CB LEU A 43 -0.889 2.499 1.909 1.00 3.74 C ATOM 685 CG LEU A 43 -1.535 1.375 1.017 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.773 1.278 -0.361 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.569 -0.037 1.620 1.00 6.41 C ATOM 0 H LEU A 43 -2.692 4.584 2.230 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.287 2.016 3.447 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.654 3.363 1.288 1.00 3.74 H new ATOM 0 HB3 LEU A 43 0.053 2.137 2.321 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.573 1.693 0.915 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -1.226 0.498 -0.973 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.840 2.233 -0.882 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.274 1.036 -0.181 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.036 -0.723 0.914 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -0.552 -0.368 1.829 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.143 -0.023 2.546 1.00 6.41 H new ATOM 699 N ILE A 44 -0.683 2.830 5.222 1.00 4.58 N ATOM 700 CA ILE A 44 -0.047 3.320 6.381 1.00 5.55 C ATOM 701 C ILE A 44 1.218 2.516 6.652 1.00 5.46 C ATOM 702 O ILE A 44 1.227 1.307 6.569 1.00 6.04 O ATOM 703 CB ILE A 44 -1.031 3.407 7.581 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.137 4.346 7.246 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.304 3.792 8.930 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.452 3.696 6.823 1.00 13.90 C ATOM 0 H ILE A 44 -0.840 1.822 5.241 1.00 4.58 H new ATOM 0 HA ILE A 44 0.272 4.350 6.220 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.455 2.418 7.754 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.328 4.978 8.113 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -1.802 5.001 6.442 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.035 3.840 9.737 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.448 3.039 9.166 1.00 7.39 H new ATOM 0 HG23 ILE A 44 0.178 4.763 8.819 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -4.186 4.471 6.603 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -3.288 3.088 5.933 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -3.822 3.064 7.631 1.00 13.90 H new ATOM 718 N PHE A 45 2.355 3.184 6.960 1.00 6.75 N ATOM 719 CA PHE A 45 3.570 2.511 7.361 1.00 4.70 C ATOM 720 C PHE A 45 4.252 3.572 8.257 1.00 6.34 C ATOM 721 O PHE A 45 4.072 4.774 8.105 1.00 5.45 O ATOM 722 CB PHE A 45 4.524 2.196 6.193 1.00 5.51 C ATOM 723 CG PHE A 45 5.899 1.636 6.506 1.00 5.98 C ATOM 724 CD1 PHE A 45 6.082 0.425 7.197 1.00 6.86 C ATOM 725 CD2 PHE A 45 7.077 2.294 6.170 1.00 5.87 C ATOM 726 CE1 PHE A 45 7.328 -0.156 7.344 1.00 6.68 C ATOM 727 CE2 PHE A 45 8.377 1.756 6.339 1.00 6.64 C ATOM 728 CZ PHE A 45 8.507 0.490 6.922 1.00 6.84 C ATOM 0 H PHE A 45 2.435 4.200 6.931 1.00 6.75 H new ATOM 0 HA PHE A 45 3.347 1.550 7.824 1.00 4.70 H new ATOM 0 HB2 PHE A 45 4.020 1.487 5.537 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.663 3.115 5.623 1.00 5.51 H new ATOM 0 HD1 PHE A 45 5.222 -0.067 7.627 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.995 3.286 5.750 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.400 -1.134 7.796 1.00 6.68 H new ATOM 0 HE2 PHE A 45 9.249 2.311 6.025 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.475 0.026 7.044 1.00 6.84 H new ATOM 738 N ALA A 46 5.077 3.152 9.238 1.00 6.53 N ATOM 739 CA ALA A 46 5.733 3.909 10.245 1.00 7.15 C ATOM 740 C ALA A 46 4.802 4.908 11.009 1.00 9.00 C ATOM 741 O ALA A 46 5.216 6.009 11.347 1.00 11.15 O ATOM 742 CB ALA A 46 6.887 4.671 9.597 1.00 8.99 C ATOM 0 H ALA A 46 5.303 2.161 9.325 1.00 6.53 H new ATOM 0 HA ALA A 46 6.085 3.204 10.998 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.405 5.260 10.354 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.584 3.963 9.148 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.497 5.335 8.825 1.00 8.99 H new ATOM 748 N GLY A 47 3.489 4.663 11.153 1.00 9.35 N ATOM 749 CA GLY A 47 2.392 5.470 11.628 1.00 11.68 C ATOM 750 C GLY A 47 1.919 6.551 10.651 1.00 11.14 C ATOM 751 O GLY A 47 1.060 7.344 11.063 1.00 13.93 O ATOM 0 H GLY A 47 3.138 3.742 10.891 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.551 4.816 11.859 1.00 11.68 H new ATOM 0 HA3 GLY A 47 2.689 5.948 12.561 1.00 11.68 H new ATOM 755 N LYS A 48 2.458 6.600 9.433 1.00 10.47 N ATOM 756 CA LYS A 48 2.319 7.713 8.486 1.00 8.82 C ATOM 757 C LYS A 48 1.432 7.221 7.358 1.00 7.68 C ATOM 758 O LYS A 48 1.585 6.074 6.960 1.00 6.47 O ATOM 759 CB LYS A 48 3.642 8.131 7.761 1.00 9.74 C ATOM 760 CG LYS A 48 4.636 8.919 8.641 1.00 14.14 C ATOM 761 CD LYS A 48 6.027 8.996 8.101 1.00 16.32 C ATOM 762 CE LYS A 48 7.191 8.958 9.058 1.00 20.04 C ATOM 763 NZ LYS A 48 8.411 8.923 8.213 1.00 23.92 N ATOM 0 H LYS A 48 3.026 5.838 9.062 1.00 10.47 H new ATOM 0 HA LYS A 48 1.951 8.558 9.068 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.137 7.233 7.391 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.388 8.737 6.891 1.00 9.74 H new ATOM 0 HG2 LYS A 48 4.257 9.932 8.775 1.00 14.14 H new ATOM 0 HG3 LYS A 48 4.670 8.458 9.628 1.00 14.14 H new ATOM 0 HD2 LYS A 48 6.152 8.172 7.399 1.00 16.32 H new ATOM 0 HD3 LYS A 48 6.105 9.919 7.526 1.00 16.32 H new ATOM 0 HE2 LYS A 48 7.191 9.833 9.708 1.00 20.04 H new ATOM 0 HE3 LYS A 48 7.138 8.081 9.704 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 9.254 8.896 8.821 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 8.392 8.076 7.610 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 8.443 9.773 7.615 1.00 23.92 H new ATOM 777 N GLN A 49 0.447 8.070 6.864 1.00 8.89 N ATOM 778 CA GLN A 49 -0.320 7.681 5.680 1.00 7.18 C ATOM 779 C GLN A 49 0.442 7.949 4.417 1.00 8.23 C ATOM 780 O GLN A 49 1.031 9.028 4.295 1.00 9.70 O ATOM 781 CB GLN A 49 -1.720 8.417 5.726 1.00 11.67 C ATOM 782 CG GLN A 49 -2.754 7.974 4.704 1.00 15.82 C ATOM 783 CD GLN A 49 -3.886 9.036 4.774 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.123 9.765 3.809 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.492 9.246 5.973 1.00 20.67 N ATOM 0 H GLN A 49 0.200 8.974 7.266 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.495 6.605 5.685 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -2.144 8.281 6.721 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.548 9.485 5.596 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.322 7.925 3.704 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -3.134 6.979 4.936 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -4.286 8.634 6.763 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -5.153 10.015 6.083 1.00 20.67 H new ATOM 794 N LEU A 50 0.610 6.998 3.498 1.00 6.51 N ATOM 795 CA LEU A 50 1.552 7.028 2.409 1.00 7.41 C ATOM 796 C LEU A 50 0.928 7.577 1.160 1.00 8.27 C ATOM 797 O LEU A 50 -0.101 7.129 0.679 1.00 8.34 O ATOM 798 CB LEU A 50 2.068 5.599 2.108 1.00 7.13 C ATOM 799 CG LEU A 50 2.544 4.688 3.257 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.935 3.286 2.816 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.635 5.362 4.090 1.00 9.11 C ATOM 0 H LEU A 50 0.054 6.143 3.505 1.00 6.51 H new ATOM 0 HA LEU A 50 2.376 7.674 2.712 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.270 5.071 1.586 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.898 5.696 1.408 1.00 7.13 H new ATOM 0 HG LEU A 50 1.676 4.544 3.900 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.258 2.709 3.682 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.077 2.797 2.354 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.750 3.345 2.095 1.00 8.14 H new ATOM 0 HD21 LEU A 50 3.947 4.692 4.891 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.490 5.590 3.454 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.246 6.285 4.520 1.00 9.11 H new ATOM 813 N GLU A 51 1.515 8.669 0.637 1.00 9.43 N ATOM 814 CA GLU A 51 1.010 9.409 -0.434 1.00 11.90 C ATOM 815 C GLU A 51 1.238 8.775 -1.759 1.00 11.49 C ATOM 816 O GLU A 51 2.382 8.519 -2.170 1.00 9.88 O ATOM 817 CB GLU A 51 1.362 10.898 -0.412 1.00 16.56 C ATOM 818 CG GLU A 51 0.889 11.809 -1.581 1.00 26.06 C ATOM 819 CD GLU A 51 1.470 13.229 -1.442 1.00 29.86 C ATOM 820 OE1 GLU A 51 2.693 13.480 -1.668 1.00 32.13 O ATOM 821 OE2 GLU A 51 0.698 14.081 -1.014 1.00 33.44 O ATOM 0 H GLU A 51 2.394 9.041 0.997 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.068 9.385 -0.275 1.00 11.90 H new ATOM 0 HB2 GLU A 51 0.962 11.316 0.512 1.00 16.56 H new ATOM 0 HB3 GLU A 51 2.448 10.977 -0.353 1.00 16.56 H new ATOM 0 HG2 GLU A 51 1.199 11.377 -2.532 1.00 26.06 H new ATOM 0 HG3 GLU A 51 -0.200 11.857 -1.592 1.00 26.06 H new ATOM 828 N ASP A 52 0.127 8.603 -2.536 1.00 12.71 N ATOM 829 CA ASP A 52 0.029 8.050 -3.878 1.00 16.56 C ATOM 830 C ASP A 52 1.124 8.225 -4.863 1.00 15.83 C ATOM 831 O ASP A 52 1.636 7.314 -5.496 1.00 17.21 O ATOM 832 CB ASP A 52 -1.262 8.727 -4.539 1.00 21.05 C ATOM 833 CG ASP A 52 -2.462 8.249 -3.731 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.778 7.080 -3.752 1.00 25.82 O ATOM 835 OD2 ASP A 52 -3.034 9.187 -3.091 1.00 28.37 O ATOM 0 H ASP A 52 -0.791 8.879 -2.187 1.00 12.71 H new ATOM 0 HA ASP A 52 0.030 6.975 -3.698 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -1.186 9.814 -4.514 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.359 8.438 -5.586 1.00 21.05 H new ATOM 840 N GLY A 53 1.572 9.494 -5.055 1.00 15.00 N ATOM 841 CA GLY A 53 2.577 9.942 -6.059 1.00 11.77 C ATOM 842 C GLY A 53 3.989 9.746 -5.650 1.00 11.10 C ATOM 843 O GLY A 53 4.855 10.128 -6.418 1.00 11.25 O ATOM 0 H GLY A 53 1.227 10.269 -4.489 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.405 9.404 -6.991 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.416 11.000 -6.267 1.00 11.77 H new ATOM 847 N ARG A 54 4.298 9.165 -4.459 1.00 8.53 N ATOM 848 CA ARG A 54 5.645 8.968 -4.014 1.00 9.05 C ATOM 849 C ARG A 54 6.088 7.469 -4.079 1.00 8.96 C ATOM 850 O ARG A 54 5.310 6.589 -4.108 1.00 11.60 O ATOM 851 CB ARG A 54 5.942 9.535 -2.565 1.00 7.97 C ATOM 852 CG ARG A 54 5.179 10.799 -2.288 1.00 9.62 C ATOM 853 CD ARG A 54 5.766 11.297 -0.908 1.00 12.20 C ATOM 854 NE ARG A 54 4.831 12.351 -0.493 1.00 18.23 N ATOM 855 CZ ARG A 54 4.817 12.906 0.733 1.00 22.08 C ATOM 856 NH1 ARG A 54 5.690 12.597 1.680 1.00 25.50 N ATOM 857 NH2 ARG A 54 3.866 13.769 0.958 1.00 23.38 N ATOM 0 H ARG A 54 3.594 8.830 -3.801 1.00 8.53 H new ATOM 0 HA ARG A 54 6.236 9.550 -4.721 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.680 8.783 -1.821 1.00 7.97 H new ATOM 0 HB3 ARG A 54 7.010 9.726 -2.463 1.00 7.97 H new ATOM 0 HG2 ARG A 54 5.328 11.537 -3.076 1.00 9.62 H new ATOM 0 HG3 ARG A 54 4.107 10.613 -2.223 1.00 9.62 H new ATOM 0 HD2 ARG A 54 5.810 10.490 -0.177 1.00 12.20 H new ATOM 0 HD3 ARG A 54 6.780 11.682 -1.019 1.00 12.20 H new ATOM 0 HE ARG A 54 4.150 12.683 -1.176 1.00 18.23 H new ATOM 0 HH11 ARG A 54 6.419 11.907 1.496 1.00 25.50 H new ATOM 0 HH12 ARG A 54 5.634 13.049 2.593 1.00 25.50 H new ATOM 0 HH21 ARG A 54 3.190 13.986 0.225 1.00 23.38 H new ATOM 0 HH22 ARG A 54 3.797 14.227 1.867 1.00 23.38 H new ATOM 871 N THR A 55 7.411 7.194 -4.189 1.00 9.05 N ATOM 872 CA THR A 55 8.039 5.908 -4.331 1.00 9.03 C ATOM 873 C THR A 55 8.194 5.267 -3.028 1.00 8.15 C ATOM 874 O THR A 55 8.302 5.933 -2.006 1.00 5.91 O ATOM 875 CB THR A 55 9.360 5.861 -5.146 1.00 11.15 C ATOM 876 OG1 THR A 55 10.374 6.661 -4.623 1.00 11.95 O ATOM 877 CG2 THR A 55 9.066 6.286 -6.612 1.00 11.71 C ATOM 0 H THR A 55 8.101 7.945 -4.177 1.00 9.05 H new ATOM 0 HA THR A 55 7.346 5.341 -4.952 1.00 9.03 H new ATOM 0 HB THR A 55 9.725 4.835 -5.096 1.00 11.15 H new ATOM 0 HG1 THR A 55 11.230 6.187 -4.685 1.00 11.95 H new ATOM 0 HG21 THR A 55 9.989 6.256 -7.192 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.339 5.602 -7.050 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.663 7.299 -6.623 1.00 11.71 H new ATOM 885 N LEU A 56 8.291 3.952 -3.077 1.00 6.91 N ATOM 886 CA LEU A 56 8.563 3.149 -1.820 1.00 8.29 C ATOM 887 C LEU A 56 9.965 3.591 -1.260 1.00 8.05 C ATOM 888 O LEU A 56 10.106 3.852 -0.094 1.00 10.17 O ATOM 889 CB LEU A 56 8.655 1.646 -2.179 1.00 6.60 C ATOM 890 CG LEU A 56 7.286 1.027 -2.594 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.459 -0.417 -2.953 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.192 1.248 -1.531 1.00 8.64 C ATOM 0 H LEU A 56 8.195 3.398 -3.928 1.00 6.91 H new ATOM 0 HA LEU A 56 7.768 3.314 -1.093 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.366 1.517 -2.995 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.049 1.098 -1.323 1.00 6.60 H new ATOM 0 HG LEU A 56 6.934 1.552 -3.482 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.496 -0.838 -3.241 1.00 9.85 H new ATOM 0 HD12 LEU A 56 8.157 -0.504 -3.786 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.851 -0.961 -2.094 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.259 0.797 -1.870 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.498 0.786 -0.592 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.044 2.317 -1.378 1.00 8.64 H new ATOM 904 N SER A 57 10.992 3.866 -2.181 1.00 8.92 N ATOM 905 CA SER A 57 12.279 4.440 -1.878 1.00 9.00 C ATOM 906 C SER A 57 12.204 5.765 -1.019 1.00 9.44 C ATOM 907 O SER A 57 12.974 6.044 -0.112 1.00 10.91 O ATOM 908 CB SER A 57 13.298 4.711 -3.078 1.00 10.32 C ATOM 909 OG SER A 57 12.765 5.536 -4.083 1.00 13.59 O ATOM 0 H SER A 57 10.884 3.665 -3.175 1.00 8.92 H new ATOM 0 HA SER A 57 12.692 3.608 -1.307 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.202 5.172 -2.681 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.593 3.758 -3.518 1.00 10.32 H new ATOM 0 HG SER A 57 13.433 5.667 -4.788 1.00 13.59 H new ATOM 915 N ASP A 58 11.235 6.676 -1.322 1.00 9.11 N ATOM 916 CA ASP A 58 10.935 7.905 -0.659 1.00 7.91 C ATOM 917 C ASP A 58 10.438 7.621 0.795 1.00 9.12 C ATOM 918 O ASP A 58 10.824 8.337 1.736 1.00 8.61 O ATOM 919 CB ASP A 58 9.899 8.739 -1.476 1.00 8.41 C ATOM 920 CG ASP A 58 10.034 10.162 -1.093 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.143 10.723 -1.031 1.00 11.70 O ATOM 922 OD2 ASP A 58 8.946 10.780 -0.747 1.00 10.05 O ATOM 0 H ASP A 58 10.609 6.521 -2.112 1.00 9.11 H new ATOM 0 HA ASP A 58 11.844 8.503 -0.592 1.00 7.91 H new ATOM 0 HB2 ASP A 58 10.073 8.616 -2.545 1.00 8.41 H new ATOM 0 HB3 ASP A 58 8.887 8.387 -1.275 1.00 8.41 H new ATOM 927 N TYR A 59 9.591 6.538 1.071 1.00 7.97 N ATOM 928 CA TYR A 59 9.203 6.206 2.418 1.00 8.45 C ATOM 929 C TYR A 59 10.203 5.250 3.067 1.00 10.98 C ATOM 930 O TYR A 59 10.262 5.056 4.259 1.00 12.95 O ATOM 931 CB TYR A 59 7.793 5.600 2.343 1.00 7.94 C ATOM 932 CG TYR A 59 6.706 6.634 2.268 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.499 7.540 3.355 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.070 6.968 1.046 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.633 8.532 3.331 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.026 7.925 1.005 1.00 6.52 C ATOM 937 CZ TYR A 59 4.837 8.708 2.160 1.00 6.76 C ATOM 938 OH TYR A 59 3.824 9.719 2.158 1.00 7.63 O ATOM 0 H TYR A 59 9.200 5.924 0.356 1.00 7.97 H new ATOM 0 HA TYR A 59 9.196 7.095 3.048 1.00 8.45 H new ATOM 0 HB2 TYR A 59 7.729 4.952 1.469 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.628 4.972 3.218 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.088 7.402 4.250 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.386 6.486 0.133 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.528 9.196 4.177 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.405 8.048 0.130 1.00 6.52 H new ATOM 0 HH TYR A 59 3.915 10.272 1.354 1.00 7.63 H new ATOM 948 N ASN A 60 11.185 4.782 2.239 1.00 12.38 N ATOM 949 CA ASN A 60 12.169 3.724 2.666 1.00 13.94 C ATOM 950 C ASN A 60 11.560 2.377 2.951 1.00 14.16 C ATOM 951 O ASN A 60 11.899 1.701 3.869 1.00 14.26 O ATOM 952 CB ASN A 60 13.139 4.142 3.803 1.00 19.23 C ATOM 953 CG ASN A 60 13.956 5.330 3.356 1.00 22.65 C ATOM 954 OD1 ASN A 60 14.922 5.111 2.627 1.00 25.45 O ATOM 955 ND2 ASN A 60 13.533 6.621 3.546 1.00 24.09 N ATOM 0 H ASN A 60 11.320 5.112 1.283 1.00 12.38 H new ATOM 0 HA ASN A 60 12.777 3.616 1.768 1.00 13.94 H new ATOM 0 HB2 ASN A 60 12.576 4.392 4.702 1.00 19.23 H new ATOM 0 HB3 ASN A 60 13.796 3.311 4.059 1.00 19.23 H new ATOM 0 HD21 ASN A 60 14.019 7.390 3.084 1.00 24.09 H new ATOM 0 HD22 ASN A 60 12.733 6.812 4.149 1.00 24.09 H new ATOM 962 N ILE A 61 10.554 1.965 2.181 1.00 11.08 N ATOM 963 CA ILE A 61 9.953 0.650 2.263 1.00 11.78 C ATOM 964 C ILE A 61 10.849 -0.284 1.494 1.00 13.74 C ATOM 965 O ILE A 61 11.286 0.107 0.362 1.00 14.60 O ATOM 966 CB ILE A 61 8.508 0.642 1.791 1.00 11.80 C ATOM 967 CG1 ILE A 61 7.688 1.451 2.795 1.00 11.56 C ATOM 968 CG2 ILE A 61 7.894 -0.661 1.448 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.438 1.969 2.034 1.00 11.42 C ATOM 0 H ILE A 61 10.129 2.557 1.467 1.00 11.08 H new ATOM 0 HA ILE A 61 9.883 0.317 3.298 1.00 11.78 H new ATOM 0 HB ILE A 61 8.509 1.105 0.804 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.396 0.833 3.644 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.272 2.282 3.192 1.00 11.56 H new ATOM 0 HG21 ILE A 61 6.863 -0.505 1.129 1.00 13.29 H new ATOM 0 HG22 ILE A 61 8.457 -1.127 0.640 1.00 13.29 H new ATOM 0 HG23 ILE A 61 7.909 -1.312 2.322 1.00 13.29 H new ATOM 0 HD11 ILE A 61 5.817 2.556 2.711 1.00 11.42 H new ATOM 0 HD12 ILE A 61 6.754 2.593 1.198 1.00 11.42 H new ATOM 0 HD13 ILE A 61 5.864 1.122 1.658 1.00 11.42 H new ATOM 981 N GLN A 62 11.172 -1.509 2.017 1.00 13.97 N ATOM 982 CA GLN A 62 12.289 -2.356 1.636 1.00 15.52 C ATOM 983 C GLN A 62 11.903 -3.829 1.727 1.00 13.94 C ATOM 984 O GLN A 62 10.765 -4.225 1.860 1.00 12.15 O ATOM 985 CB GLN A 62 13.522 -2.065 2.569 1.00 19.53 C ATOM 986 CG GLN A 62 14.103 -0.687 2.412 1.00 26.38 C ATOM 987 CD GLN A 62 15.367 -0.637 3.226 1.00 30.61 C ATOM 988 OE1 GLN A 62 16.387 -0.265 2.726 1.00 33.23 O ATOM 989 NE2 GLN A 62 15.286 -0.903 4.540 1.00 32.71 N ATOM 0 H GLN A 62 10.611 -1.932 2.756 1.00 13.97 H new ATOM 0 HA GLN A 62 12.558 -2.133 0.603 1.00 15.52 H new ATOM 0 HB2 GLN A 62 13.218 -2.203 3.607 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.300 -2.800 2.364 1.00 19.53 H new ATOM 0 HG2 GLN A 62 14.313 -0.476 1.363 1.00 26.38 H new ATOM 0 HG3 GLN A 62 13.396 0.069 2.754 1.00 26.38 H new ATOM 0 HE21 GLN A 62 14.404 -1.219 4.943 1.00 32.71 H new ATOM 0 HE22 GLN A 62 16.107 -0.789 5.135 1.00 32.71 H new ATOM 998 N LYS A 63 12.882 -4.747 1.457 1.00 11.73 N ATOM 999 CA LYS A 63 12.653 -6.199 1.324 1.00 11.97 C ATOM 1000 C LYS A 63 12.133 -6.798 2.657 1.00 10.41 C ATOM 1001 O LYS A 63 12.759 -6.656 3.676 1.00 9.59 O ATOM 1002 CB LYS A 63 13.963 -6.879 0.742 1.00 13.73 C ATOM 1003 CG LYS A 63 15.131 -6.972 1.758 1.00 16.98 C ATOM 1004 CD LYS A 63 16.422 -7.492 1.137 1.00 20.19 C ATOM 1005 CE LYS A 63 17.561 -7.714 2.069 1.00 23.42 C ATOM 1006 NZ LYS A 63 18.677 -8.291 1.226 1.00 25.97 N ATOM 0 H LYS A 63 13.859 -4.483 1.326 1.00 11.73 H new ATOM 0 HA LYS A 63 11.859 -6.407 0.607 1.00 11.97 H new ATOM 0 HB2 LYS A 63 13.716 -7.883 0.396 1.00 13.73 H new ATOM 0 HB3 LYS A 63 14.297 -6.315 -0.129 1.00 13.73 H new ATOM 0 HG2 LYS A 63 15.312 -5.986 2.186 1.00 16.98 H new ATOM 0 HG3 LYS A 63 14.840 -7.627 2.579 1.00 16.98 H new ATOM 0 HD2 LYS A 63 16.204 -8.434 0.633 1.00 20.19 H new ATOM 0 HD3 LYS A 63 16.741 -6.786 0.370 1.00 20.19 H new ATOM 0 HE2 LYS A 63 17.869 -6.780 2.539 1.00 23.42 H new ATOM 0 HE3 LYS A 63 17.283 -8.398 2.871 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 19.508 -8.469 1.825 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 18.362 -9.184 0.797 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 18.930 -7.617 0.476 1.00 25.97 H new ATOM 1020 N GLU A 64 10.863 -7.279 2.619 1.00 10.04 N ATOM 1021 CA GLU A 64 10.073 -7.820 3.712 1.00 10.94 C ATOM 1022 C GLU A 64 9.506 -6.821 4.693 1.00 9.74 C ATOM 1023 O GLU A 64 9.124 -7.095 5.792 1.00 9.42 O ATOM 1024 CB GLU A 64 10.743 -9.092 4.420 1.00 18.31 C ATOM 1025 CG GLU A 64 10.578 -10.327 3.486 1.00 24.16 C ATOM 1026 CD GLU A 64 11.335 -11.467 3.965 1.00 29.00 C ATOM 1027 OE1 GLU A 64 12.563 -11.558 3.749 1.00 32.61 O ATOM 1028 OE2 GLU A 64 10.659 -12.313 4.659 1.00 31.72 O ATOM 0 H GLU A 64 10.340 -7.291 1.744 1.00 10.04 H new ATOM 0 HA GLU A 64 9.183 -8.184 3.198 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.799 -8.904 4.615 1.00 18.31 H new ATOM 0 HB3 GLU A 64 10.270 -9.281 5.384 1.00 18.31 H new ATOM 0 HG2 GLU A 64 9.523 -10.593 3.418 1.00 24.16 H new ATOM 0 HG3 GLU A 64 10.907 -10.069 2.480 1.00 24.16 H new ATOM 1035 N SER A 65 9.330 -5.486 4.265 1.00 6.85 N ATOM 1036 CA SER A 65 8.448 -4.573 5.049 1.00 6.90 C ATOM 1037 C SER A 65 6.974 -4.983 5.147 1.00 4.72 C ATOM 1038 O SER A 65 6.364 -5.584 4.246 1.00 3.91 O ATOM 1039 CB SER A 65 8.549 -3.163 4.507 1.00 7.28 C ATOM 1040 OG SER A 65 9.899 -2.660 4.410 1.00 10.56 O ATOM 0 H SER A 65 9.765 -5.073 3.440 1.00 6.85 H new ATOM 0 HA SER A 65 8.826 -4.638 6.069 1.00 6.90 H new ATOM 0 HB2 SER A 65 8.090 -3.132 3.519 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.971 -2.497 5.148 1.00 7.28 H new ATOM 0 HG SER A 65 9.895 -1.687 4.526 1.00 10.56 H new ATOM 1046 N THR A 66 6.325 -4.696 6.296 1.00 4.48 N ATOM 1047 CA THR A 66 4.927 -4.940 6.535 1.00 3.80 C ATOM 1048 C THR A 66 4.298 -3.621 6.454 1.00 4.60 C ATOM 1049 O THR A 66 4.717 -2.603 7.053 1.00 5.33 O ATOM 1050 CB THR A 66 4.640 -5.454 7.988 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.956 -6.864 8.010 1.00 2.15 O ATOM 1052 CG2 THR A 66 3.150 -5.438 8.243 1.00 3.40 C ATOM 0 H THR A 66 6.796 -4.274 7.096 1.00 4.48 H new ATOM 0 HA THR A 66 4.567 -5.686 5.827 1.00 3.80 H new ATOM 0 HB THR A 66 5.198 -4.845 8.699 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.790 -7.222 8.907 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.950 -5.795 9.253 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.774 -4.421 8.137 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.651 -6.087 7.523 1.00 3.40 H new ATOM 1060 N LEU A 67 3.178 -3.544 5.668 1.00 4.17 N ATOM 1061 CA LEU A 67 2.427 -2.307 5.458 1.00 3.85 C ATOM 1062 C LEU A 67 0.951 -2.528 5.858 1.00 3.80 C ATOM 1063 O LEU A 67 0.453 -3.680 5.907 1.00 5.54 O ATOM 1064 CB LEU A 67 2.381 -2.016 4.000 1.00 7.18 C ATOM 1065 CG LEU A 67 3.744 -1.970 3.287 1.00 9.67 C ATOM 1066 CD1 LEU A 67 3.568 -1.599 1.776 1.00 8.12 C ATOM 1067 CD2 LEU A 67 4.794 -0.997 3.904 1.00 11.66 C ATOM 0 H LEU A 67 2.789 -4.347 5.173 1.00 4.17 H new ATOM 0 HA LEU A 67 2.900 -1.513 6.036 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.764 -2.773 3.516 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.883 -1.057 3.855 1.00 7.18 H new ATOM 0 HG LEU A 67 4.138 -2.978 3.415 1.00 9.67 H new ATOM 0 HD11 LEU A 67 4.544 -1.572 1.292 1.00 8.12 H new ATOM 0 HD12 LEU A 67 2.942 -2.346 1.289 1.00 8.12 H new ATOM 0 HD13 LEU A 67 3.096 -0.620 1.694 1.00 8.12 H new ATOM 0 HD21 LEU A 67 5.717 -1.043 3.325 1.00 11.66 H new ATOM 0 HD22 LEU A 67 4.403 0.020 3.884 1.00 11.66 H new ATOM 0 HD23 LEU A 67 4.997 -1.287 4.935 1.00 11.66 H new ATOM 1079 N HIS A 68 0.192 -1.441 6.105 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.222 -1.443 6.548 1.00 4.17 C ATOM 1081 C HIS A 68 -2.186 -0.808 5.530 1.00 5.32 C ATOM 1082 O HIS A 68 -2.032 0.353 5.100 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.434 -0.822 7.931 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.219 -1.186 8.773 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.754 -0.241 9.148 1.00 13.74 N ATOM 1086 CD2 HIS A 68 0.306 -2.386 9.216 1.00 12.79 C ATOM 1087 CE1 HIS A 68 1.782 -0.882 9.660 1.00 14.75 C ATOM 1088 NE2 HIS A 68 1.563 -2.199 9.753 1.00 16.30 N ATOM 0 H HIS A 68 0.561 -0.496 5.997 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.467 -2.503 6.622 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.541 0.260 7.856 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.348 -1.201 8.388 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -0.199 -3.339 9.151 1.00 12.79 H new ATOM 0 HE1 HIS A 68 2.698 -0.401 9.970 1.00 14.75 H new ATOM 0 HE2 HIS A 68 2.188 -2.908 10.136 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.173 -1.613 5.069 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.273 -1.241 4.285 1.00 3.97 C ATOM 1098 C LEU A 69 -5.644 -0.935 5.069 1.00 5.07 C ATOM 1099 O LEU A 69 -6.263 -1.833 5.651 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.550 -2.406 3.224 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.492 -2.028 2.063 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -4.865 -1.059 1.052 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.979 -3.293 1.316 1.00 9.96 C ATOM 0 H LEU A 69 -3.178 -2.611 5.278 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.989 -0.291 3.831 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.596 -2.729 2.806 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.974 -3.261 3.750 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.333 -1.514 2.527 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -5.585 -0.839 0.264 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -4.587 -0.135 1.558 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -3.977 -1.514 0.614 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.642 -3.002 0.501 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -5.121 -3.830 0.911 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.518 -3.940 2.009 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.123 0.333 5.015 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.351 0.827 5.569 1.00 6.26 C ATOM 1117 C VAL A 70 -8.180 1.382 4.414 1.00 9.22 C ATOM 1118 O VAL A 70 -7.589 1.910 3.485 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.136 1.840 6.695 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -8.407 2.429 7.287 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.281 1.134 7.742 1.00 8.54 C ATOM 0 H VAL A 70 -5.601 1.070 4.542 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.891 0.014 6.054 1.00 6.26 H new ATOM 0 HB VAL A 70 -6.639 2.721 6.289 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -8.148 3.135 8.076 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -8.966 2.946 6.507 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -9.020 1.629 7.703 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -6.093 1.811 8.575 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -6.806 0.250 8.104 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -5.332 0.836 7.296 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.513 1.184 4.368 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.289 1.522 3.136 1.00 16.06 C ATOM 1133 C LEU A 71 -11.293 2.624 3.478 1.00 18.09 C ATOM 1134 O LEU A 71 -12.078 2.478 4.411 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.082 0.234 2.788 1.00 17.10 C ATOM 1136 CG LEU A 71 -10.163 -0.982 2.467 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -11.023 -2.241 2.051 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -9.111 -0.594 1.391 1.00 19.57 C ATOM 0 H LEU A 71 -10.068 0.806 5.136 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.647 1.854 2.320 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.733 -0.021 3.624 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.726 0.431 1.931 1.00 17.10 H new ATOM 0 HG LEU A 71 -9.614 -1.262 3.366 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -10.360 -3.078 1.831 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -11.691 -2.512 2.869 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -11.612 -2.003 1.165 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -8.476 -1.453 1.177 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -9.621 -0.283 0.479 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -8.497 0.227 1.761 1.00 19.57 H new ATOM 1150 N ARG A 72 -11.189 3.736 2.752 1.00 21.47 N ATOM 1151 CA ARG A 72 -11.966 4.960 2.991 1.00 25.83 C ATOM 1152 C ARG A 72 -13.458 4.757 3.000 1.00 27.74 C ATOM 1153 O ARG A 72 -13.960 3.921 2.276 1.00 30.65 O ATOM 1154 CB ARG A 72 -11.513 5.967 1.931 1.00 28.49 C ATOM 1155 CG ARG A 72 -12.144 7.366 2.119 1.00 31.79 C ATOM 1156 CD ARG A 72 -11.661 8.292 1.085 1.00 34.05 C ATOM 1157 NE ARG A 72 -12.125 9.598 1.624 1.00 35.08 N ATOM 1158 CZ ARG A 72 -12.186 10.707 0.897 1.00 34.67 C ATOM 1159 NH1 ARG A 72 -11.600 10.851 -0.263 1.00 34.97 N ATOM 1160 NH2 ARG A 72 -12.903 11.711 1.496 1.00 35.02 N ATOM 0 H ARG A 72 -10.549 3.817 1.962 1.00 21.47 H new ATOM 0 HA ARG A 72 -11.769 5.328 3.998 1.00 25.83 H new ATOM 0 HB2 ARG A 72 -10.427 6.057 1.963 1.00 28.49 H new ATOM 0 HB3 ARG A 72 -11.772 5.587 0.943 1.00 28.49 H new ATOM 0 HG2 ARG A 72 -13.230 7.291 2.070 1.00 31.79 H new ATOM 0 HG3 ARG A 72 -11.896 7.754 3.107 1.00 31.79 H new ATOM 0 HD2 ARG A 72 -10.577 8.255 0.974 1.00 34.05 H new ATOM 0 HD3 ARG A 72 -12.090 8.075 0.106 1.00 34.05 H new ATOM 0 HE ARG A 72 -12.411 9.644 2.602 1.00 35.08 H new ATOM 0 HH11 ARG A 72 -11.057 10.084 -0.659 1.00 34.97 H new ATOM 0 HH12 ARG A 72 -11.686 11.731 -0.772 1.00 34.97 H new ATOM 0 HH21 ARG A 72 -13.325 11.560 2.412 1.00 35.02 H new ATOM 0 HH22 ARG A 72 -13.014 12.609 1.025 1.00 35.02 H new ATOM 1174 N LEU A 73 -14.199 5.521 3.852 1.00 28.93 N ATOM 1175 CA LEU A 73 -15.608 5.375 4.079 1.00 30.76 C ATOM 1176 C LEU A 73 -16.319 6.192 3.039 1.00 32.18 C ATOM 1177 O LEU A 73 -15.854 7.256 2.566 1.00 32.31 O ATOM 1178 CB LEU A 73 -16.004 5.861 5.474 1.00 30.53 C ATOM 1179 CG LEU A 73 -15.455 5.133 6.740 1.00 30.16 C ATOM 1180 CD1 LEU A 73 -15.866 5.966 7.966 1.00 29.57 C ATOM 1181 CD2 LEU A 73 -15.851 3.595 6.870 1.00 29.11 C ATOM 0 H LEU A 73 -13.787 6.273 4.404 1.00 28.93 H new ATOM 0 HA LEU A 73 -15.881 4.322 4.012 1.00 30.76 H new ATOM 0 HB2 LEU A 73 -15.708 6.908 5.548 1.00 30.53 H new ATOM 0 HB3 LEU A 73 -17.092 5.832 5.530 1.00 30.53 H new ATOM 0 HG LEU A 73 -14.370 5.079 6.656 1.00 30.16 H new ATOM 0 HD11 LEU A 73 -15.498 5.485 8.872 1.00 29.57 H new ATOM 0 HD12 LEU A 73 -15.439 6.966 7.886 1.00 29.57 H new ATOM 0 HD13 LEU A 73 -16.953 6.038 8.009 1.00 29.57 H new ATOM 0 HD21 LEU A 73 -15.420 3.184 7.783 1.00 29.11 H new ATOM 0 HD22 LEU A 73 -16.936 3.501 6.907 1.00 29.11 H new ATOM 0 HD23 LEU A 73 -15.468 3.047 6.009 1.00 29.11 H new ATOM 1193 N ARG A 74 -17.586 5.826 2.668 1.00 33.82 N ATOM 1194 CA ARG A 74 -18.439 6.621 1.826 1.00 35.33 C ATOM 1195 C ARG A 74 -18.940 7.871 2.534 1.00 36.22 C ATOM 1196 O ARG A 74 -19.321 8.893 1.949 1.00 36.70 O ATOM 1197 CB ARG A 74 -19.636 5.860 1.291 1.00 36.91 C ATOM 1198 CG ARG A 74 -19.406 4.623 0.392 1.00 38.62 C ATOM 1199 CD ARG A 74 -18.932 4.949 -1.017 1.00 39.75 C ATOM 1200 NE ARG A 74 -18.720 3.733 -1.847 1.00 41.13 N ATOM 1201 CZ ARG A 74 -18.319 3.840 -3.103 1.00 41.91 C ATOM 1202 NH1 ARG A 74 -18.016 5.021 -3.660 1.00 42.75 N ATOM 1203 NH2 ARG A 74 -18.396 2.722 -3.850 1.00 41.93 N ATOM 0 H ARG A 74 -18.017 4.952 2.968 1.00 33.82 H new ATOM 0 HA ARG A 74 -17.805 6.902 0.985 1.00 35.33 H new ATOM 0 HB2 ARG A 74 -20.228 5.537 2.147 1.00 36.91 H new ATOM 0 HB3 ARG A 74 -20.248 6.565 0.728 1.00 36.91 H new ATOM 0 HG2 ARG A 74 -18.671 3.974 0.869 1.00 38.62 H new ATOM 0 HG3 ARG A 74 -20.336 4.058 0.328 1.00 38.62 H new ATOM 0 HD2 ARG A 74 -19.666 5.592 -1.503 1.00 39.75 H new ATOM 0 HD3 ARG A 74 -18.001 5.513 -0.961 1.00 39.75 H new ATOM 0 HE ARG A 74 -18.885 2.810 -1.445 1.00 41.13 H new ATOM 0 HH11 ARG A 74 -18.091 5.878 -3.112 1.00 42.75 H new ATOM 0 HH12 ARG A 74 -17.710 5.063 -4.632 1.00 42.75 H new ATOM 0 HH21 ARG A 74 -18.749 1.857 -3.439 1.00 41.93 H new ATOM 0 HH22 ARG A 74 -18.102 2.740 -4.826 1.00 41.93 H new ATOM 1217 N GLY A 75 -18.934 7.840 3.886 1.00 36.31 N ATOM 1218 CA GLY A 75 -19.356 8.943 4.766 1.00 36.07 C ATOM 1219 C GLY A 75 -18.218 9.845 5.201 1.00 36.16 C ATOM 1220 O GLY A 75 -18.387 10.785 5.942 1.00 36.26 O ATOM 0 H GLY A 75 -18.625 7.019 4.407 1.00 36.31 H new ATOM 0 HA2 GLY A 75 -20.105 9.542 4.249 1.00 36.07 H new ATOM 0 HA3 GLY A 75 -19.836 8.526 5.651 1.00 36.07 H new ATOM 1224 N GLY A 76 -16.962 9.603 4.740 1.00 36.05 N ATOM 1225 CA GLY A 76 -15.842 10.481 5.073 1.00 36.19 C ATOM 1226 C GLY A 76 -14.864 10.506 3.904 1.00 36.20 C ATOM 1227 O GLY A 76 -15.036 11.295 2.913 1.00 0.00 O ATOM 1228 OXT GLY A 76 -13.991 9.639 3.829 1.00 0.00 O ATOM 0 H GLY A 76 -16.716 8.813 4.144 1.00 36.05 H new ATOM 0 HA2 GLY A 76 -16.203 11.488 5.283 1.00 36.19 H new ATOM 0 HA3 GLY A 76 -15.342 10.127 5.974 1.00 36.19 H new TER 1232 GLY A 76