USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=15 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 -77:sc= 1.99 USER MOD Set 1.2: A 57 SER OG : rot -1:sc= 0.378 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 154:sc= 2.45 (180deg=1.63) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.253 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 159:sc= 1.16 (180deg=0.00226!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 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 22 THR OG1 : rot 180:sc=0.000541 USER MOD Single : A 25 ASN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : A 27 LYS NZ :NH3+ -150:sc= 1.76 (180deg=1.12) USER MOD Single : A 29 LYS NZ :NH3+ 154:sc= 0.959 (180deg=0.595) USER MOD Single : A 31 GLN : amide:sc= -0.541 K(o=-0.54,f=-1.4) 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=-0.15) USER MOD Single : A 41 GLN : amide:sc= 0.822 K(o=0.82,f=-4.7!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 59 TYR OH : rot 30:sc= 0.514 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=-0.22) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180: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=-0.027) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.651 -6.995 -4.960 1.00 9.67 N ATOM 2 CA MET A 1 11.461 -7.509 -3.590 1.00 10.38 C ATOM 3 C MET A 1 10.053 -7.667 -3.071 1.00 9.62 C ATOM 4 O MET A 1 9.144 -7.283 -3.819 1.00 9.62 O ATOM 5 CB MET A 1 12.346 -6.550 -2.692 1.00 13.77 C ATOM 6 CG MET A 1 11.821 -5.148 -2.520 1.00 16.29 C ATOM 7 SD MET A 1 10.461 -4.945 -1.287 1.00 17.17 S ATOM 8 CE MET A 1 10.624 -3.072 -1.206 1.00 16.11 C ATOM 0 H1 MET A 1 12.580 -6.534 -5.032 1.00 9.67 H new ATOM 0 H2 MET A 1 11.603 -7.783 -5.636 1.00 9.67 H new ATOM 0 H3 MET A 1 10.904 -6.305 -5.179 1.00 9.67 H new ATOM 0 HA MET A 1 11.764 -8.556 -3.568 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.453 -7.002 -1.706 1.00 13.77 H new ATOM 0 HB3 MET A 1 13.344 -6.494 -3.127 1.00 13.77 H new ATOM 0 HG2 MET A 1 12.650 -4.503 -2.228 1.00 16.29 H new ATOM 0 HG3 MET A 1 11.465 -4.792 -3.487 1.00 16.29 H new ATOM 0 HE1 MET A 1 9.890 -2.673 -0.506 1.00 16.11 H new ATOM 0 HE2 MET A 1 11.627 -2.808 -0.870 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.449 -2.648 -2.195 1.00 16.11 H new ATOM 20 N GLN A 2 9.849 -8.308 -1.910 1.00 9.27 N ATOM 21 CA GLN A 2 8.599 -8.791 -1.398 1.00 9.07 C ATOM 22 C GLN A 2 8.123 -7.848 -0.285 1.00 8.72 C ATOM 23 O GLN A 2 8.834 -7.609 0.688 1.00 8.22 O ATOM 24 CB GLN A 2 8.824 -10.207 -0.850 1.00 14.46 C ATOM 25 CG GLN A 2 7.590 -10.990 -0.371 1.00 17.01 C ATOM 26 CD GLN A 2 7.992 -12.426 -0.057 1.00 20.10 C ATOM 27 OE1 GLN A 2 8.911 -12.714 0.721 1.00 21.89 O ATOM 28 NE2 GLN A 2 7.500 -13.428 -0.752 1.00 19.49 N ATOM 0 H GLN A 2 10.621 -8.506 -1.274 1.00 9.27 H new ATOM 0 HA GLN A 2 7.838 -8.822 -2.178 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.313 -10.794 -1.627 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.522 -10.137 -0.016 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.167 -10.517 0.515 1.00 17.01 H new ATOM 0 HG3 GLN A 2 6.817 -10.977 -1.139 1.00 17.01 H new ATOM 0 HE21 GLN A 2 6.740 -13.266 -1.413 1.00 19.49 H new ATOM 0 HE22 GLN A 2 7.878 -14.368 -0.630 1.00 19.49 H new ATOM 37 N ILE A 3 6.873 -7.363 -0.439 1.00 5.87 N ATOM 38 CA ILE A 3 6.180 -6.580 0.603 1.00 5.07 C ATOM 39 C ILE A 3 4.888 -7.336 0.973 1.00 4.01 C ATOM 40 O ILE A 3 4.367 -8.104 0.170 1.00 4.61 O ATOM 41 CB ILE A 3 5.834 -5.060 0.246 1.00 6.55 C ATOM 42 CG1 ILE A 3 4.929 -4.911 -1.025 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.158 -4.305 0.156 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.485 -3.491 -1.333 1.00 10.83 C ATOM 0 H ILE A 3 6.319 -7.503 -1.284 1.00 5.87 H new ATOM 0 HA ILE A 3 6.883 -6.496 1.432 1.00 5.07 H new ATOM 0 HB ILE A 3 5.219 -4.621 1.032 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.471 -5.301 -1.886 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.043 -5.533 -0.897 1.00 4.72 H new ATOM 0 HG21 ILE A 3 6.965 -3.260 -0.087 1.00 5.58 H new ATOM 0 HG22 ILE A 3 7.677 -4.365 1.113 1.00 5.58 H new ATOM 0 HG23 ILE A 3 7.778 -4.750 -0.622 1.00 5.58 H new ATOM 0 HD11 ILE A 3 3.864 -3.490 -2.229 1.00 10.83 H new ATOM 0 HD12 ILE A 3 3.911 -3.099 -0.493 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.361 -2.864 -1.498 1.00 10.83 H new ATOM 56 N PHE A 4 4.476 -7.089 2.239 1.00 4.55 N ATOM 57 CA PHE A 4 3.266 -7.736 2.743 1.00 4.68 C ATOM 58 C PHE A 4 2.319 -6.666 3.069 1.00 5.30 C ATOM 59 O PHE A 4 2.730 -5.711 3.744 1.00 5.58 O ATOM 60 CB PHE A 4 3.459 -8.531 4.051 1.00 4.83 C ATOM 61 CG PHE A 4 4.508 -9.537 3.862 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.330 -10.576 2.974 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.569 -9.650 4.762 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.206 -11.677 2.944 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.433 -10.712 4.782 1.00 10.61 C ATOM 66 CZ PHE A 4 6.301 -11.757 3.818 1.00 8.90 C ATOM 0 H PHE A 4 4.949 -6.471 2.898 1.00 4.55 H new ATOM 0 HA PHE A 4 2.940 -8.434 1.972 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.730 -7.856 4.863 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.525 -9.014 4.337 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.499 -10.544 2.285 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.716 -8.858 5.481 1.00 8.34 H new ATOM 0 HE1 PHE A 4 5.033 -12.474 2.236 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.214 -10.759 5.527 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.010 -12.570 3.764 1.00 8.90 H new ATOM 76 N VAL A 5 1.089 -6.744 2.632 1.00 4.44 N ATOM 77 CA VAL A 5 0.106 -5.691 2.913 1.00 3.87 C ATOM 78 C VAL A 5 -0.846 -6.443 3.796 1.00 4.93 C ATOM 79 O VAL A 5 -1.412 -7.458 3.429 1.00 6.84 O ATOM 80 CB VAL A 5 -0.553 -5.086 1.703 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.725 -4.214 2.130 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.444 -4.423 0.710 1.00 9.13 C ATOM 0 H VAL A 5 0.729 -7.521 2.078 1.00 4.44 H new ATOM 0 HA VAL A 5 0.546 -4.799 3.358 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.970 -5.893 1.100 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.196 -3.780 1.248 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.453 -4.821 2.669 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.367 -3.416 2.780 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -0.106 -4.010 -0.136 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.985 -3.624 1.217 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.152 -5.170 0.352 1.00 9.13 H new ATOM 92 N LYS A 6 -1.049 -5.890 5.022 1.00 6.04 N ATOM 93 CA LYS A 6 -1.830 -6.537 6.082 1.00 6.12 C ATOM 94 C LYS A 6 -2.957 -5.550 6.412 1.00 6.57 C ATOM 95 O LYS A 6 -2.798 -4.350 6.402 1.00 5.76 O ATOM 96 CB LYS A 6 -1.018 -6.988 7.343 1.00 7.45 C ATOM 97 CG LYS A 6 0.098 -7.994 7.092 1.00 11.12 C ATOM 98 CD LYS A 6 0.435 -8.852 8.295 1.00 14.54 C ATOM 99 CE LYS A 6 1.890 -9.143 8.337 1.00 18.84 C ATOM 100 NZ LYS A 6 2.254 -9.854 9.666 1.00 20.55 N ATOM 0 H LYS A 6 -0.670 -4.982 5.291 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.210 -7.494 5.724 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -0.585 -6.102 7.808 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -1.713 -7.418 8.064 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -0.191 -8.643 6.265 1.00 11.12 H new ATOM 0 HG3 LYS A 6 0.994 -7.457 6.779 1.00 11.12 H new ATOM 0 HD2 LYS A 6 0.134 -8.340 9.209 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -0.127 -9.785 8.252 1.00 14.54 H new ATOM 0 HE2 LYS A 6 2.167 -9.772 7.491 1.00 18.84 H new ATOM 0 HE3 LYS A 6 2.457 -8.217 8.244 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 3.275 -10.053 9.685 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 2.006 -9.240 10.468 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 1.726 -10.747 9.738 1.00 20.55 H new ATOM 114 N THR A 7 -4.155 -6.160 6.586 1.00 7.41 N ATOM 115 CA THR A 7 -5.401 -5.382 6.860 1.00 7.48 C ATOM 116 C THR A 7 -5.689 -5.338 8.372 1.00 8.75 C ATOM 117 O THR A 7 -5.101 -6.067 9.187 1.00 8.58 O ATOM 118 CB THR A 7 -6.547 -5.934 6.055 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.060 -7.144 6.545 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.148 -6.150 4.592 1.00 9.17 C ATOM 0 H THR A 7 -4.290 -7.170 6.544 1.00 7.41 H new ATOM 0 HA THR A 7 -5.263 -4.348 6.542 1.00 7.48 H new ATOM 0 HB THR A 7 -7.327 -5.177 6.139 1.00 9.61 H new ATOM 0 HG1 THR A 7 -7.800 -7.440 5.975 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.998 -6.549 4.038 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.843 -5.200 4.154 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.318 -6.855 4.541 1.00 9.17 H new ATOM 128 N LEU A 8 -6.667 -4.531 8.815 1.00 9.84 N ATOM 129 CA LEU A 8 -7.065 -4.362 10.243 1.00 14.15 C ATOM 130 C LEU A 8 -7.512 -5.626 10.830 1.00 17.37 C ATOM 131 O LEU A 8 -7.255 -6.017 11.984 1.00 17.01 O ATOM 132 CB LEU A 8 -8.114 -3.254 10.379 1.00 16.63 C ATOM 133 CG LEU A 8 -7.606 -1.911 9.881 1.00 18.88 C ATOM 134 CD1 LEU A 8 -8.797 -0.949 9.803 1.00 19.31 C ATOM 135 CD2 LEU A 8 -6.524 -1.304 10.761 1.00 18.59 C ATOM 0 H LEU A 8 -7.224 -3.958 8.181 1.00 9.84 H new ATOM 0 HA LEU A 8 -6.187 -4.054 10.810 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -9.007 -3.532 9.819 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -8.409 -3.163 11.424 1.00 16.63 H new ATOM 0 HG LEU A 8 -7.150 -2.074 8.905 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -8.457 0.023 9.447 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -9.542 -1.347 9.114 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -9.241 -0.838 10.792 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -6.210 -0.347 10.344 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -6.916 -1.150 11.766 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -5.669 -1.979 10.804 1.00 18.59 H new ATOM 147 N THR A 9 -8.265 -6.423 10.062 1.00 18.33 N ATOM 148 CA THR A 9 -8.781 -7.697 10.546 1.00 19.24 C ATOM 149 C THR A 9 -7.935 -8.801 9.793 1.00 19.48 C ATOM 150 O THR A 9 -8.439 -9.895 9.659 1.00 23.14 O ATOM 151 CB THR A 9 -10.283 -7.923 10.195 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.590 -7.703 8.813 1.00 20.24 O ATOM 153 CG2 THR A 9 -11.242 -6.954 11.007 1.00 19.70 C ATOM 0 H THR A 9 -8.528 -6.202 9.101 1.00 18.33 H new ATOM 0 HA THR A 9 -8.703 -7.730 11.633 1.00 19.24 H new ATOM 0 HB THR A 9 -10.449 -8.968 10.457 1.00 18.97 H new ATOM 0 HG1 THR A 9 -11.545 -7.863 8.661 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.277 -7.149 10.728 1.00 19.70 H new ATOM 0 HG22 THR A 9 -11.115 -7.128 12.076 1.00 19.70 H new ATOM 0 HG23 THR A 9 -10.993 -5.918 10.776 1.00 19.70 H new ATOM 161 N GLY A 10 -6.691 -8.537 9.396 1.00 19.43 N ATOM 162 CA GLY A 10 -5.624 -9.554 9.296 1.00 18.74 C ATOM 163 C GLY A 10 -5.573 -10.382 8.102 1.00 17.62 C ATOM 164 O GLY A 10 -5.147 -11.530 8.220 1.00 19.74 O ATOM 0 H GLY A 10 -6.383 -7.602 9.130 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -4.666 -9.042 9.387 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -5.714 -10.217 10.157 1.00 18.74 H new ATOM 168 N LYS A 11 -6.034 -10.007 6.911 1.00 13.56 N ATOM 169 CA LYS A 11 -5.687 -10.700 5.648 1.00 11.91 C ATOM 170 C LYS A 11 -4.346 -10.223 5.086 1.00 10.18 C ATOM 171 O LYS A 11 -4.226 -9.076 4.673 1.00 9.10 O ATOM 172 CB LYS A 11 -6.801 -10.465 4.573 1.00 13.43 C ATOM 173 CG LYS A 11 -6.596 -11.345 3.369 1.00 16.69 C ATOM 174 CD LYS A 11 -7.551 -11.168 2.188 1.00 17.92 C ATOM 175 CE LYS A 11 -7.214 -12.029 0.959 1.00 20.81 C ATOM 176 NZ LYS A 11 -8.248 -11.794 -0.088 1.00 21.93 N ATOM 0 H LYS A 11 -6.661 -9.213 6.782 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.608 -11.762 5.878 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.779 -10.666 5.010 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.798 -9.419 4.266 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.581 -11.185 3.006 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.658 -12.382 3.698 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -8.563 -11.407 2.516 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.551 -10.119 1.892 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -6.225 -11.773 0.578 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -7.187 -13.084 1.233 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -7.869 -12.066 -1.017 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -9.091 -12.365 0.123 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -8.506 -10.787 -0.101 1.00 21.93 H new ATOM 190 N THR A 12 -3.297 -11.014 5.049 1.00 9.63 N ATOM 191 CA THR A 12 -2.038 -10.721 4.355 1.00 9.85 C ATOM 192 C THR A 12 -2.176 -10.927 2.905 1.00 11.66 C ATOM 193 O THR A 12 -2.341 -12.071 2.442 1.00 12.33 O ATOM 194 CB THR A 12 -0.902 -11.548 4.904 1.00 10.85 C ATOM 195 OG1 THR A 12 -0.761 -11.475 6.346 1.00 10.91 O ATOM 196 CG2 THR A 12 0.342 -11.037 4.281 1.00 9.63 C ATOM 0 H THR A 12 -3.286 -11.920 5.518 1.00 9.63 H new ATOM 0 HA THR A 12 -1.803 -9.671 4.531 1.00 9.85 H new ATOM 0 HB THR A 12 -1.105 -12.593 4.672 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.009 -12.035 6.630 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.194 -11.607 4.650 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.276 -11.142 3.198 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.471 -9.985 4.536 1.00 9.63 H new ATOM 204 N ILE A 13 -1.888 -9.862 2.099 1.00 10.42 N ATOM 205 CA ILE A 13 -1.571 -10.094 0.674 1.00 11.84 C ATOM 206 C ILE A 13 -0.156 -9.780 0.321 1.00 10.55 C ATOM 207 O ILE A 13 0.560 -8.971 0.904 1.00 11.92 O ATOM 208 CB ILE A 13 -2.457 -9.385 -0.347 1.00 14.86 C ATOM 209 CG1 ILE A 13 -2.610 -7.877 -0.065 1.00 14.87 C ATOM 210 CG2 ILE A 13 -3.808 -10.150 -0.350 1.00 17.08 C ATOM 211 CD1 ILE A 13 -3.484 -7.156 -1.116 1.00 16.46 C ATOM 0 H ILE A 13 -1.871 -8.887 2.399 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.768 -11.163 0.599 1.00 11.84 H new ATOM 0 HB ILE A 13 -2.003 -9.409 -1.338 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -3.050 -7.740 0.923 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -1.623 -7.415 -0.041 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -4.487 -9.686 -1.065 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -3.637 -11.189 -0.633 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -4.249 -10.113 0.646 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -3.556 -6.098 -0.865 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.032 -7.266 -2.102 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.481 -7.596 -1.123 1.00 16.46 H new ATOM 223 N THR A 14 0.414 -10.557 -0.593 1.00 9.39 N ATOM 224 CA THR A 14 1.812 -10.661 -0.844 1.00 9.63 C ATOM 225 C THR A 14 2.095 -10.131 -2.216 1.00 11.20 C ATOM 226 O THR A 14 1.557 -10.673 -3.189 1.00 11.63 O ATOM 227 CB THR A 14 2.416 -12.069 -0.713 1.00 10.38 C ATOM 228 OG1 THR A 14 2.284 -12.495 0.679 1.00 16.30 O ATOM 229 CG2 THR A 14 3.893 -12.188 -1.039 1.00 11.66 C ATOM 0 H THR A 14 -0.137 -11.159 -1.205 1.00 9.39 H new ATOM 0 HA THR A 14 2.291 -10.075 -0.060 1.00 9.63 H new ATOM 0 HB THR A 14 1.872 -12.675 -1.437 1.00 10.38 H new ATOM 0 HG1 THR A 14 2.663 -13.393 0.784 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.211 -13.223 -0.913 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.064 -11.879 -2.070 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.466 -11.548 -0.368 1.00 11.66 H new ATOM 237 N LEU A 15 2.962 -9.114 -2.414 1.00 8.29 N ATOM 238 CA LEU A 15 3.187 -8.489 -3.684 1.00 9.03 C ATOM 239 C LEU A 15 4.667 -8.591 -4.072 1.00 8.59 C ATOM 240 O LEU A 15 5.474 -8.826 -3.192 1.00 7.79 O ATOM 241 CB LEU A 15 2.958 -6.975 -3.704 1.00 11.08 C ATOM 242 CG LEU A 15 1.558 -6.464 -3.283 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.366 -4.946 -3.558 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.437 -7.249 -4.073 1.00 15.27 C ATOM 0 H LEU A 15 3.525 -8.715 -1.663 1.00 8.29 H new ATOM 0 HA LEU A 15 2.488 -9.005 -4.342 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.697 -6.513 -3.049 1.00 11.08 H new ATOM 0 HB3 LEU A 15 3.159 -6.617 -4.714 1.00 11.08 H new ATOM 0 HG LEU A 15 1.478 -6.633 -2.209 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.367 -4.643 -3.244 1.00 15.88 H new ATOM 0 HD12 LEU A 15 2.110 -4.378 -3.000 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.486 -4.751 -4.624 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.545 -6.884 -3.771 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.569 -7.092 -5.144 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.512 -8.313 -3.850 1.00 15.27 H new ATOM 256 N GLU A 16 5.038 -8.364 -5.360 1.00 11.04 N ATOM 257 CA GLU A 16 6.472 -8.162 -5.735 1.00 11.50 C ATOM 258 C GLU A 16 6.672 -6.784 -6.397 1.00 10.13 C ATOM 259 O GLU A 16 6.047 -6.456 -7.405 1.00 9.83 O ATOM 260 CB GLU A 16 7.115 -9.184 -6.666 1.00 17.22 C ATOM 261 CG GLU A 16 8.599 -8.875 -7.100 1.00 23.33 C ATOM 262 CD GLU A 16 9.685 -9.372 -6.113 1.00 26.99 C ATOM 263 OE1 GLU A 16 9.367 -10.114 -5.175 1.00 28.86 O ATOM 264 OE2 GLU A 16 10.861 -9.053 -6.467 1.00 28.90 O ATOM 0 H GLU A 16 4.385 -8.316 -6.142 1.00 11.04 H new ATOM 0 HA GLU A 16 6.969 -8.270 -4.771 1.00 11.50 H new ATOM 0 HB2 GLU A 16 7.094 -10.158 -6.176 1.00 17.22 H new ATOM 0 HB3 GLU A 16 6.503 -9.266 -7.564 1.00 17.22 H new ATOM 0 HG2 GLU A 16 8.779 -9.329 -8.074 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.709 -7.798 -7.225 1.00 23.33 H new ATOM 271 N VAL A 17 7.583 -5.969 -5.758 1.00 8.99 N ATOM 272 CA VAL A 17 7.757 -4.580 -6.154 1.00 8.85 C ATOM 273 C VAL A 17 9.210 -4.208 -6.033 1.00 8.04 C ATOM 274 O VAL A 17 9.955 -4.935 -5.337 1.00 8.99 O ATOM 275 CB VAL A 17 6.942 -3.684 -5.208 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.431 -3.673 -5.401 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.386 -4.000 -3.766 1.00 10.54 C ATOM 0 H VAL A 17 8.180 -6.270 -4.988 1.00 8.99 H new ATOM 0 HA VAL A 17 7.422 -4.448 -7.183 1.00 8.85 H new ATOM 0 HB VAL A 17 7.172 -2.650 -5.464 1.00 9.78 H new ATOM 0 HG11 VAL A 17 4.976 -3.003 -4.672 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.195 -3.328 -6.408 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.039 -4.680 -5.262 1.00 12.05 H new ATOM 0 HG21 VAL A 17 6.825 -3.379 -3.068 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.197 -5.051 -3.549 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.451 -3.794 -3.660 1.00 10.54 H new ATOM 287 N GLU A 18 9.636 -3.096 -6.652 1.00 7.29 N ATOM 288 CA GLU A 18 10.994 -2.704 -6.438 1.00 7.08 C ATOM 289 C GLU A 18 10.956 -1.480 -5.573 1.00 6.45 C ATOM 290 O GLU A 18 9.885 -0.854 -5.431 1.00 5.28 O ATOM 291 CB GLU A 18 11.734 -2.465 -7.786 1.00 10.28 C ATOM 292 CG GLU A 18 11.593 -3.636 -8.826 1.00 12.65 C ATOM 293 CD GLU A 18 12.356 -3.194 -10.071 1.00 14.15 C ATOM 294 OE1 GLU A 18 11.985 -2.171 -10.708 1.00 18.17 O ATOM 295 OE2 GLU A 18 13.408 -3.795 -10.423 1.00 14.33 O ATOM 0 H GLU A 18 9.082 -2.498 -7.265 1.00 7.29 H new ATOM 0 HA GLU A 18 11.560 -3.492 -5.941 1.00 7.08 H new ATOM 0 HB2 GLU A 18 11.354 -1.548 -8.237 1.00 10.28 H new ATOM 0 HB3 GLU A 18 12.792 -2.304 -7.581 1.00 10.28 H new ATOM 0 HG2 GLU A 18 12.004 -4.563 -8.426 1.00 12.65 H new ATOM 0 HG3 GLU A 18 10.545 -3.826 -9.059 1.00 12.65 H new ATOM 302 N PRO A 19 12.061 -1.048 -4.971 1.00 7.24 N ATOM 303 CA PRO A 19 12.053 0.102 -4.051 1.00 7.07 C ATOM 304 C PRO A 19 11.788 1.384 -4.863 1.00 6.65 C ATOM 305 O PRO A 19 11.543 2.436 -4.316 1.00 6.37 O ATOM 306 CB PRO A 19 13.413 0.177 -3.366 1.00 7.61 C ATOM 307 CG PRO A 19 13.867 -1.320 -3.401 1.00 8.16 C ATOM 308 CD PRO A 19 13.115 -1.962 -4.596 1.00 7.49 C ATOM 0 HA PRO A 19 11.274 -0.006 -3.296 1.00 7.07 H new ATOM 0 HB2 PRO A 19 14.105 0.828 -3.900 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.338 0.559 -2.348 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.946 -1.398 -3.531 1.00 8.16 H new ATOM 0 HG3 PRO A 19 13.621 -1.825 -2.467 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.793 -2.132 -5.432 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.703 -2.932 -4.317 1.00 7.49 H new ATOM 316 N SER A 20 11.931 1.362 -6.226 1.00 6.80 N ATOM 317 CA SER A 20 11.597 2.471 -7.070 1.00 6.28 C ATOM 318 C SER A 20 10.155 2.625 -7.542 1.00 8.45 C ATOM 319 O SER A 20 9.835 3.736 -8.039 1.00 7.26 O ATOM 320 CB SER A 20 12.595 2.613 -8.242 1.00 8.57 C ATOM 321 OG SER A 20 13.969 2.577 -7.823 1.00 11.13 O ATOM 0 H SER A 20 12.286 0.553 -6.736 1.00 6.80 H new ATOM 0 HA SER A 20 11.693 3.309 -6.380 1.00 6.28 H new ATOM 0 HB2 SER A 20 12.420 1.811 -8.959 1.00 8.57 H new ATOM 0 HB3 SER A 20 12.405 3.552 -8.761 1.00 8.57 H new ATOM 0 HG SER A 20 14.552 2.669 -8.605 1.00 11.13 H new ATOM 327 N ASP A 21 9.334 1.559 -7.343 1.00 7.50 N ATOM 328 CA ASP A 21 7.912 1.463 -7.740 1.00 7.70 C ATOM 329 C ASP A 21 7.187 2.375 -6.838 1.00 7.08 C ATOM 330 O ASP A 21 7.506 2.652 -5.652 1.00 8.11 O ATOM 331 CB ASP A 21 7.351 0.036 -7.766 1.00 11.00 C ATOM 332 CG ASP A 21 8.042 -0.778 -8.852 1.00 15.32 C ATOM 333 OD1 ASP A 21 8.444 -0.149 -9.907 1.00 14.36 O ATOM 334 OD2 ASP A 21 8.171 -2.014 -8.749 1.00 18.03 O ATOM 0 H ASP A 21 9.663 0.711 -6.882 1.00 7.50 H new ATOM 0 HA ASP A 21 7.787 1.760 -8.781 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.498 -0.439 -6.796 1.00 11.00 H new ATOM 0 HB3 ASP A 21 6.277 0.062 -7.948 1.00 11.00 H new ATOM 339 N THR A 22 6.141 3.002 -7.381 1.00 5.37 N ATOM 340 CA THR A 22 5.360 3.962 -6.637 1.00 6.01 C ATOM 341 C THR A 22 4.277 3.349 -5.745 1.00 8.01 C ATOM 342 O THR A 22 3.816 2.191 -5.990 1.00 8.11 O ATOM 343 CB THR A 22 4.829 5.083 -7.601 1.00 8.92 C ATOM 344 OG1 THR A 22 4.253 4.558 -8.807 1.00 10.22 O ATOM 345 CG2 THR A 22 5.988 6.024 -8.031 1.00 9.65 C ATOM 0 H THR A 22 5.823 2.853 -8.339 1.00 5.37 H new ATOM 0 HA THR A 22 6.029 4.428 -5.913 1.00 6.01 H new ATOM 0 HB THR A 22 4.063 5.614 -7.037 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.938 5.297 -9.368 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.602 6.795 -8.699 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.423 6.493 -7.148 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.753 5.446 -8.548 1.00 9.65 H new ATOM 353 N ILE A 23 3.961 4.157 -4.726 1.00 8.32 N ATOM 354 CA ILE A 23 2.854 3.880 -3.816 1.00 9.92 C ATOM 355 C ILE A 23 1.507 3.699 -4.574 1.00 10.01 C ATOM 356 O ILE A 23 0.738 2.751 -4.362 1.00 8.71 O ATOM 357 CB ILE A 23 2.840 4.962 -2.756 1.00 10.78 C ATOM 358 CG1 ILE A 23 4.178 4.839 -1.879 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.626 4.827 -1.867 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.426 3.540 -1.040 1.00 12.30 C ATOM 0 H ILE A 23 4.466 5.017 -4.513 1.00 8.32 H new ATOM 0 HA ILE A 23 2.996 2.922 -3.316 1.00 9.92 H new ATOM 0 HB ILE A 23 2.796 5.938 -3.239 1.00 10.78 H new ATOM 0 HG12 ILE A 23 5.025 4.960 -2.554 1.00 11.38 H new ATOM 0 HG13 ILE A 23 4.197 5.683 -1.190 1.00 11.38 H new ATOM 0 HG21 ILE A 23 1.637 5.615 -1.114 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.722 4.915 -2.470 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.641 3.854 -1.375 1.00 10.90 H new ATOM 0 HD11 ILE A 23 5.374 3.625 -0.510 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.618 3.412 -0.320 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.459 2.678 -1.706 1.00 12.30 H new ATOM 372 N GLU A 24 1.204 4.512 -5.614 1.00 9.54 N ATOM 373 CA GLU A 24 0.227 4.249 -6.672 1.00 11.81 C ATOM 374 C GLU A 24 0.340 2.794 -7.319 1.00 11.14 C ATOM 375 O GLU A 24 -0.679 2.131 -7.390 1.00 10.62 O ATOM 376 CB GLU A 24 0.464 5.311 -7.774 1.00 19.24 C ATOM 377 CG GLU A 24 -0.478 5.104 -8.991 1.00 27.76 C ATOM 378 CD GLU A 24 -0.068 6.128 -10.004 1.00 32.92 C ATOM 379 OE1 GLU A 24 1.050 6.095 -10.562 1.00 36.51 O ATOM 380 OE2 GLU A 24 -0.938 6.964 -10.369 1.00 34.80 O ATOM 0 H GLU A 24 1.665 5.414 -5.734 1.00 9.54 H new ATOM 0 HA GLU A 24 -0.769 4.300 -6.232 1.00 11.81 H new ATOM 0 HB2 GLU A 24 0.307 6.306 -7.359 1.00 19.24 H new ATOM 0 HB3 GLU A 24 1.501 5.264 -8.106 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -0.381 4.096 -9.393 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -1.522 5.234 -8.704 1.00 27.76 H new ATOM 387 N ASN A 25 1.533 2.334 -7.742 1.00 9.43 N ATOM 388 CA ASN A 25 1.690 1.053 -8.311 1.00 10.96 C ATOM 389 C ASN A 25 1.408 -0.160 -7.405 1.00 9.68 C ATOM 390 O ASN A 25 0.834 -1.198 -7.728 1.00 9.33 O ATOM 391 CB ASN A 25 3.037 0.866 -9.009 1.00 16.78 C ATOM 392 CG ASN A 25 3.243 -0.480 -9.757 1.00 22.31 C ATOM 393 OD1 ASN A 25 4.309 -1.127 -9.575 1.00 25.66 O ATOM 394 ND2 ASN A 25 2.339 -0.784 -10.693 1.00 24.70 N ATOM 0 H ASN A 25 2.398 2.871 -7.682 1.00 9.43 H new ATOM 0 HA ASN A 25 0.885 1.055 -9.045 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.168 1.678 -9.724 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.826 0.968 -8.264 1.00 16.78 H new ATOM 0 HD21 ASN A 25 2.493 -1.581 -11.311 1.00 24.70 H new ATOM 0 HD22 ASN A 25 1.495 -0.219 -10.789 1.00 24.70 H new ATOM 401 N VAL A 26 1.841 -0.033 -6.125 1.00 6.52 N ATOM 402 CA VAL A 26 1.517 -0.900 -5.028 1.00 5.53 C ATOM 403 C VAL A 26 0.017 -0.992 -4.818 1.00 4.42 C ATOM 404 O VAL A 26 -0.526 -2.096 -4.842 1.00 3.40 O ATOM 405 CB VAL A 26 2.181 -0.336 -3.796 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.772 -1.146 -2.511 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.702 -0.435 -3.889 1.00 8.12 C ATOM 0 H VAL A 26 2.459 0.729 -5.844 1.00 6.52 H new ATOM 0 HA VAL A 26 1.872 -1.909 -5.238 1.00 5.53 H new ATOM 0 HB VAL A 26 1.858 0.703 -3.730 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.265 -0.717 -1.639 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.691 -1.096 -2.378 1.00 7.25 H new ATOM 0 HG13 VAL A 26 2.076 -2.187 -2.625 1.00 7.25 H new ATOM 0 HG21 VAL A 26 4.150 -0.020 -2.986 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.993 -1.480 -3.991 1.00 8.12 H new ATOM 0 HG23 VAL A 26 4.051 0.125 -4.757 1.00 8.12 H new ATOM 417 N LYS A 27 -0.793 0.113 -4.831 1.00 2.64 N ATOM 418 CA LYS A 27 -2.246 0.117 -4.839 1.00 4.14 C ATOM 419 C LYS A 27 -2.818 -0.569 -6.051 1.00 5.58 C ATOM 420 O LYS A 27 -3.919 -1.131 -5.952 1.00 4.11 O ATOM 421 CB LYS A 27 -2.744 1.600 -4.548 1.00 3.97 C ATOM 422 CG LYS A 27 -2.383 2.143 -3.194 1.00 7.45 C ATOM 423 CD LYS A 27 -2.887 3.581 -3.018 1.00 9.02 C ATOM 424 CE LYS A 27 -2.882 4.025 -1.517 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.427 5.408 -1.342 1.00 15.47 N ATOM 0 H LYS A 27 -0.406 1.057 -4.836 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.646 -0.501 -4.035 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.329 2.261 -5.309 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -3.828 1.630 -4.656 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.812 1.508 -2.419 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.301 2.116 -3.066 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -2.260 4.258 -3.598 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -3.898 3.662 -3.417 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -3.475 3.324 -0.929 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -1.864 3.984 -1.130 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -2.976 5.858 -0.520 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.230 5.969 -2.195 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.455 5.359 -1.189 1.00 15.47 H new ATOM 439 N ALA A 28 -2.144 -0.520 -7.196 1.00 6.61 N ATOM 440 CA ALA A 28 -2.686 -1.233 -8.337 1.00 7.74 C ATOM 441 C ALA A 28 -2.435 -2.732 -8.269 1.00 9.17 C ATOM 442 O ALA A 28 -3.302 -3.518 -8.582 1.00 11.45 O ATOM 443 CB ALA A 28 -2.044 -0.750 -9.609 1.00 7.68 C ATOM 0 H ALA A 28 -1.268 -0.021 -7.352 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.759 -1.041 -8.321 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.461 -1.294 -10.456 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.237 0.316 -9.732 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.969 -0.921 -9.562 1.00 7.68 H new ATOM 449 N LYS A 29 -1.276 -3.227 -7.727 1.00 8.96 N ATOM 450 CA LYS A 29 -1.054 -4.608 -7.342 1.00 7.90 C ATOM 451 C LYS A 29 -2.014 -5.137 -6.329 1.00 6.92 C ATOM 452 O LYS A 29 -2.399 -6.320 -6.417 1.00 6.87 O ATOM 453 CB LYS A 29 0.354 -4.675 -6.842 1.00 10.28 C ATOM 454 CG LYS A 29 1.366 -4.630 -8.064 1.00 14.94 C ATOM 455 CD LYS A 29 2.752 -4.418 -7.621 1.00 19.69 C ATOM 456 CE LYS A 29 3.745 -4.361 -8.751 1.00 22.63 C ATOM 457 NZ LYS A 29 4.025 -5.734 -9.274 1.00 24.98 N ATOM 0 H LYS A 29 -0.464 -2.635 -7.553 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.222 -5.248 -8.208 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.549 -3.842 -6.167 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.502 -5.591 -6.270 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.302 -5.564 -8.623 1.00 14.94 H new ATOM 0 HG3 LYS A 29 1.077 -3.830 -8.746 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.805 -3.488 -7.055 1.00 19.69 H new ATOM 0 HD3 LYS A 29 3.034 -5.222 -6.941 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.357 -3.733 -9.553 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.671 -3.901 -8.406 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.327 -5.672 -10.267 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.780 -6.173 -8.710 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 3.163 -6.313 -9.209 1.00 24.98 H new ATOM 471 N ILE A 30 -2.479 -4.261 -5.430 1.00 4.57 N ATOM 472 CA ILE A 30 -3.551 -4.543 -4.430 1.00 5.58 C ATOM 473 C ILE A 30 -4.875 -4.643 -5.106 1.00 7.26 C ATOM 474 O ILE A 30 -5.678 -5.511 -4.794 1.00 9.46 O ATOM 475 CB ILE A 30 -3.579 -3.517 -3.345 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.275 -3.492 -2.643 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.835 -3.788 -2.377 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.084 -2.454 -1.572 1.00 2.00 C ATOM 0 H ILE A 30 -2.120 -3.308 -5.365 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.327 -5.501 -3.960 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.720 -2.519 -3.761 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.116 -4.472 -2.194 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.493 -3.353 -3.390 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.853 -3.038 -1.586 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.758 -3.730 -2.954 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.746 -4.780 -1.934 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.086 -2.552 -1.144 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.198 -1.460 -2.004 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -2.830 -2.597 -0.790 1.00 2.00 H new ATOM 490 N GLN A 31 -5.210 -3.883 -6.132 1.00 7.06 N ATOM 491 CA GLN A 31 -6.399 -3.951 -6.836 1.00 8.67 C ATOM 492 C GLN A 31 -6.482 -5.186 -7.693 1.00 10.90 C ATOM 493 O GLN A 31 -7.565 -5.761 -7.904 1.00 9.63 O ATOM 494 CB GLN A 31 -6.487 -2.711 -7.749 1.00 9.12 C ATOM 495 CG GLN A 31 -7.712 -2.734 -8.690 1.00 10.76 C ATOM 496 CD GLN A 31 -7.687 -1.475 -9.476 1.00 13.78 C ATOM 497 OE1 GLN A 31 -6.670 -0.843 -9.772 1.00 14.48 O ATOM 498 NE2 GLN A 31 -8.924 -0.968 -9.886 1.00 14.76 N ATOM 0 H GLN A 31 -4.586 -3.161 -6.492 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.220 -3.987 -6.120 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.529 -1.815 -7.130 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.578 -2.643 -8.347 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -7.673 -3.600 -9.350 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.636 -2.811 -8.117 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -9.782 -1.469 -9.656 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -8.968 -0.097 -10.415 1.00 14.76 H new ATOM 507 N ASP A 32 -5.291 -5.629 -8.249 1.00 10.93 N ATOM 508 CA ASP A 32 -5.120 -6.953 -8.797 1.00 14.01 C ATOM 509 C ASP A 32 -5.560 -8.044 -7.799 1.00 14.04 C ATOM 510 O ASP A 32 -6.386 -8.845 -8.172 1.00 13.39 O ATOM 511 CB ASP A 32 -3.650 -7.180 -9.251 1.00 18.01 C ATOM 512 CG ASP A 32 -3.416 -8.326 -10.204 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.309 -8.566 -11.022 1.00 26.29 O ATOM 514 OD2 ASP A 32 -2.316 -8.871 -10.228 1.00 25.17 O ATOM 0 H ASP A 32 -4.454 -5.050 -8.309 1.00 10.93 H new ATOM 0 HA ASP A 32 -5.765 -7.030 -9.672 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.292 -6.265 -9.722 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.039 -7.342 -8.363 1.00 18.01 H new ATOM 519 N LYS A 33 -5.119 -8.048 -6.562 1.00 14.22 N ATOM 520 CA LYS A 33 -5.511 -9.070 -5.689 1.00 14.00 C ATOM 521 C LYS A 33 -6.968 -8.950 -5.227 1.00 12.37 C ATOM 522 O LYS A 33 -7.707 -9.970 -5.105 1.00 12.17 O ATOM 523 CB LYS A 33 -4.517 -8.908 -4.440 1.00 18.62 C ATOM 524 CG LYS A 33 -3.092 -9.292 -4.928 1.00 24.00 C ATOM 525 CD LYS A 33 -2.755 -10.774 -4.629 1.00 27.61 C ATOM 526 CE LYS A 33 -1.419 -11.142 -5.188 1.00 27.64 C ATOM 527 NZ LYS A 33 -1.044 -12.447 -4.646 1.00 30.06 N ATOM 0 H LYS A 33 -4.493 -7.349 -6.162 1.00 14.22 H new ATOM 0 HA LYS A 33 -5.457 -10.043 -6.177 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.532 -7.884 -4.068 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.827 -9.551 -3.617 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -3.016 -9.112 -6.000 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.357 -8.649 -4.444 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.762 -10.942 -3.552 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -3.523 -11.419 -5.057 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -1.459 -11.179 -6.277 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.675 -10.391 -4.922 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -0.115 -12.725 -5.022 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -0.995 -12.391 -3.609 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -1.755 -13.155 -4.921 1.00 30.06 H new ATOM 541 N GLU A 34 -7.377 -7.769 -4.907 1.00 10.11 N ATOM 542 CA GLU A 34 -8.553 -7.656 -4.016 1.00 10.07 C ATOM 543 C GLU A 34 -9.652 -6.759 -4.603 1.00 9.32 C ATOM 544 O GLU A 34 -10.714 -6.584 -4.027 1.00 11.61 O ATOM 545 CB GLU A 34 -8.061 -6.950 -2.697 1.00 14.77 C ATOM 546 CG GLU A 34 -6.995 -7.650 -1.860 1.00 18.75 C ATOM 547 CD GLU A 34 -7.471 -8.974 -1.436 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.228 -9.105 -0.474 1.00 21.95 O ATOM 549 OE2 GLU A 34 -7.057 -10.026 -2.021 1.00 25.19 O ATOM 0 H GLU A 34 -6.961 -6.890 -5.214 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.962 -8.655 -3.862 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.678 -5.966 -2.969 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.931 -6.789 -2.061 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.078 -7.754 -2.439 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.753 -7.045 -0.986 1.00 18.75 H new ATOM 556 N GLY A 35 -9.442 -6.295 -5.865 1.00 7.22 N ATOM 557 CA GLY A 35 -10.423 -5.605 -6.645 1.00 6.29 C ATOM 558 C GLY A 35 -10.872 -4.208 -6.213 1.00 6.93 C ATOM 559 O GLY A 35 -11.840 -3.613 -6.711 1.00 7.41 O ATOM 0 H GLY A 35 -8.553 -6.410 -6.351 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.038 -5.526 -7.662 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.311 -6.236 -6.689 1.00 6.29 H new ATOM 563 N ILE A 36 -10.191 -3.648 -5.150 1.00 5.86 N ATOM 564 CA ILE A 36 -10.528 -2.429 -4.444 1.00 6.07 C ATOM 565 C ILE A 36 -10.054 -1.313 -5.321 1.00 6.36 C ATOM 566 O ILE A 36 -8.849 -1.176 -5.593 1.00 6.18 O ATOM 567 CB ILE A 36 -9.874 -2.355 -3.081 1.00 7.47 C ATOM 568 CG1 ILE A 36 -10.302 -3.584 -2.221 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.266 -1.022 -2.342 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.208 -3.992 -1.208 1.00 9.49 C ATOM 0 H ILE A 36 -9.352 -4.087 -4.770 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.600 -2.378 -4.255 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.793 -2.367 -3.217 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -11.222 -3.349 -1.686 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -10.521 -4.427 -2.877 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.784 -0.992 -1.365 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.939 -0.168 -2.934 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.348 -0.981 -2.214 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.549 -4.852 -0.631 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.295 -4.253 -1.744 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.007 -3.159 -0.534 1.00 9.49 H new ATOM 582 N PRO A 37 -10.771 -0.361 -5.846 1.00 8.65 N ATOM 583 CA PRO A 37 -10.249 0.755 -6.631 1.00 9.18 C ATOM 584 C PRO A 37 -9.176 1.537 -5.771 1.00 9.85 C ATOM 585 O PRO A 37 -9.411 1.786 -4.589 1.00 8.51 O ATOM 586 CB PRO A 37 -11.446 1.648 -6.920 1.00 11.42 C ATOM 587 CG PRO A 37 -12.517 1.277 -5.912 1.00 9.27 C ATOM 588 CD PRO A 37 -12.236 -0.233 -5.650 1.00 8.33 C ATOM 0 HA PRO A 37 -9.767 0.427 -7.552 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.176 2.700 -6.829 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.804 1.498 -7.939 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -12.436 1.868 -5.000 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -13.519 1.439 -6.309 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.532 -0.526 -4.643 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.789 -0.868 -6.342 1.00 8.33 H new ATOM 596 N PRO A 38 -8.008 1.898 -6.246 1.00 8.71 N ATOM 597 CA PRO A 38 -6.952 2.601 -5.484 1.00 9.08 C ATOM 598 C PRO A 38 -7.367 3.822 -4.762 1.00 9.28 C ATOM 599 O PRO A 38 -6.790 4.081 -3.700 1.00 6.50 O ATOM 600 CB PRO A 38 -5.911 2.896 -6.518 1.00 10.31 C ATOM 601 CG PRO A 38 -5.909 1.559 -7.275 1.00 10.81 C ATOM 602 CD PRO A 38 -7.440 1.362 -7.425 1.00 12.00 C ATOM 0 HA PRO A 38 -6.610 1.973 -4.662 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.183 3.737 -7.156 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -4.941 3.129 -6.079 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.396 1.620 -8.235 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.435 0.756 -6.710 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -7.817 1.875 -8.310 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.691 0.307 -7.537 1.00 12.00 H new ATOM 610 N ASP A 39 -8.359 4.579 -5.258 1.00 11.20 N ATOM 611 CA ASP A 39 -8.778 5.774 -4.580 1.00 14.96 C ATOM 612 C ASP A 39 -9.458 5.515 -3.277 1.00 13.99 C ATOM 613 O ASP A 39 -9.354 6.395 -2.394 1.00 13.75 O ATOM 614 CB ASP A 39 -9.823 6.430 -5.597 1.00 24.16 C ATOM 615 CG ASP A 39 -9.193 7.234 -6.747 1.00 31.06 C ATOM 616 OD1 ASP A 39 -8.467 6.594 -7.591 1.00 34.22 O ATOM 617 OD2 ASP A 39 -9.377 8.453 -6.750 1.00 35.55 O ATOM 0 H ASP A 39 -8.869 4.372 -6.117 1.00 11.20 H new ATOM 0 HA ASP A 39 -7.920 6.399 -4.333 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -10.439 5.638 -6.022 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.489 7.086 -5.037 1.00 24.16 H new ATOM 622 N GLN A 40 -10.033 4.322 -3.085 1.00 11.60 N ATOM 623 CA GLN A 40 -10.582 3.836 -1.828 1.00 10.76 C ATOM 624 C GLN A 40 -9.536 3.286 -0.850 1.00 8.01 C ATOM 625 O GLN A 40 -9.653 3.322 0.392 1.00 8.96 O ATOM 626 CB GLN A 40 -11.605 2.757 -2.103 1.00 11.14 C ATOM 627 CG GLN A 40 -12.681 2.466 -1.013 1.00 14.85 C ATOM 628 CD GLN A 40 -13.449 1.198 -1.476 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.358 0.170 -0.809 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.113 1.270 -2.649 1.00 18.16 N ATOM 0 H GLN A 40 -10.129 3.643 -3.840 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.032 4.705 -1.348 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -12.126 3.020 -3.024 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.066 1.829 -2.295 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -12.214 2.303 -0.041 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -13.360 3.312 -0.903 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.154 2.153 -3.158 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -14.574 0.442 -3.026 1.00 18.16 H new ATOM 639 N GLN A 41 -8.416 2.824 -1.378 1.00 6.52 N ATOM 640 CA GLN A 41 -7.322 2.347 -0.538 1.00 3.87 C ATOM 641 C GLN A 41 -6.548 3.437 0.268 1.00 4.79 C ATOM 642 O GLN A 41 -6.037 4.433 -0.313 1.00 6.34 O ATOM 643 CB GLN A 41 -6.271 1.560 -1.401 1.00 4.20 C ATOM 644 CG GLN A 41 -6.837 0.284 -2.136 1.00 3.20 C ATOM 645 CD GLN A 41 -5.786 -0.399 -3.013 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.622 -0.410 -2.634 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.202 -0.968 -4.202 1.00 7.13 N ATOM 0 H GLN A 41 -8.237 2.767 -2.381 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.822 1.715 0.196 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -5.856 2.237 -2.147 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.448 1.254 -0.755 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.204 -0.426 -1.395 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.689 0.571 -2.752 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.186 -0.930 -4.469 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.525 -1.426 -4.812 1.00 7.13 H new ATOM 656 N ARG A 42 -6.284 3.233 1.530 1.00 5.73 N ATOM 657 CA ARG A 42 -5.364 3.990 2.357 1.00 6.97 C ATOM 658 C ARG A 42 -4.325 3.015 2.850 1.00 7.15 C ATOM 659 O ARG A 42 -4.702 2.030 3.417 1.00 7.33 O ATOM 660 CB ARG A 42 -6.010 4.608 3.628 1.00 13.23 C ATOM 661 CG ARG A 42 -6.714 5.892 3.300 1.00 21.27 C ATOM 662 CD ARG A 42 -6.995 6.756 4.517 1.00 26.14 C ATOM 663 NE ARG A 42 -7.394 8.185 4.138 1.00 32.26 N ATOM 664 CZ ARG A 42 -7.797 9.078 5.005 1.00 34.32 C ATOM 665 NH1 ARG A 42 -8.120 8.790 6.292 1.00 35.30 N ATOM 666 NH2 ARG A 42 -8.025 10.369 4.657 1.00 36.39 N ATOM 0 H ARG A 42 -6.735 2.481 2.051 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.981 4.808 1.747 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.717 3.901 4.062 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.242 4.791 4.379 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -6.108 6.459 2.593 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.656 5.664 2.801 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -7.793 6.303 5.105 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.109 6.785 5.151 1.00 26.14 H new ATOM 0 HE ARG A 42 -7.343 8.455 3.156 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -8.055 7.830 6.632 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -8.428 9.533 6.919 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -7.883 10.670 3.693 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -8.339 11.039 5.359 1.00 36.39 H new ATOM 680 N LEU A 43 -3.023 3.356 2.689 1.00 4.65 N ATOM 681 CA LEU A 43 -1.922 2.539 3.146 1.00 3.51 C ATOM 682 C LEU A 43 -1.177 3.244 4.275 1.00 5.56 C ATOM 683 O LEU A 43 -0.678 4.356 4.050 1.00 4.19 O ATOM 684 CB LEU A 43 -0.908 2.219 1.952 1.00 3.74 C ATOM 685 CG LEU A 43 -1.243 1.085 1.013 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.350 1.076 -0.214 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.275 -0.293 1.734 1.00 6.41 C ATOM 0 H LEU A 43 -2.727 4.218 2.231 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.332 1.598 3.513 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.801 3.125 1.355 1.00 3.74 H new ATOM 0 HB3 LEU A 43 0.067 2.010 2.391 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.257 1.266 0.657 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.628 0.243 -0.860 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.470 2.013 -0.758 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.690 0.965 0.094 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -1.520 -1.074 1.015 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -0.298 -0.497 2.172 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.029 -0.274 2.521 1.00 6.41 H new ATOM 699 N ILE A 44 -1.096 2.652 5.502 1.00 4.58 N ATOM 700 CA ILE A 44 -0.605 3.274 6.704 1.00 5.55 C ATOM 701 C ILE A 44 0.784 2.611 6.995 1.00 5.46 C ATOM 702 O ILE A 44 0.905 1.389 6.966 1.00 6.04 O ATOM 703 CB ILE A 44 -1.477 3.167 7.947 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.565 4.263 8.030 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.709 3.156 9.259 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.514 4.364 6.855 1.00 13.90 C ATOM 0 H ILE A 44 -1.391 1.688 5.655 1.00 4.58 H new ATOM 0 HA ILE A 44 -0.574 4.346 6.510 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.950 2.193 7.821 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -3.154 4.091 8.931 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -2.070 5.226 8.152 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.410 3.077 10.090 1.00 7.39 H new ATOM 0 HG22 ILE A 44 -0.029 2.304 9.276 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.136 4.079 9.353 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -4.228 5.168 7.032 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -2.948 4.575 5.947 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -4.050 3.422 6.738 1.00 13.90 H new ATOM 718 N PHE A 45 1.839 3.376 7.274 1.00 6.75 N ATOM 719 CA PHE A 45 3.106 2.785 7.635 1.00 4.70 C ATOM 720 C PHE A 45 3.893 3.800 8.439 1.00 6.34 C ATOM 721 O PHE A 45 3.786 5.016 8.181 1.00 5.45 O ATOM 722 CB PHE A 45 3.805 2.204 6.374 1.00 5.51 C ATOM 723 CG PHE A 45 5.269 1.940 6.551 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.646 0.797 7.282 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.180 2.907 6.180 1.00 5.87 C ATOM 726 CE1 PHE A 45 7.048 0.633 7.578 1.00 6.68 C ATOM 727 CE2 PHE A 45 7.515 2.821 6.589 1.00 6.64 C ATOM 728 CZ PHE A 45 7.928 1.623 7.185 1.00 6.84 C ATOM 0 H PHE A 45 1.832 4.396 7.255 1.00 6.75 H new ATOM 0 HA PHE A 45 2.994 1.919 8.287 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.311 1.274 6.094 1.00 5.51 H new ATOM 0 HB3 PHE A 45 3.670 2.899 5.545 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.915 0.072 7.608 1.00 6.86 H new ATOM 0 HD2 PHE A 45 5.860 3.738 5.569 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.403 -0.246 8.096 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.199 3.645 6.451 1.00 6.64 H new ATOM 0 HZ PHE A 45 8.984 1.465 7.345 1.00 6.84 H new ATOM 738 N ALA A 46 4.715 3.342 9.413 1.00 6.53 N ATOM 739 CA ALA A 46 5.435 4.111 10.358 1.00 7.15 C ATOM 740 C ALA A 46 4.759 5.307 10.989 1.00 9.00 C ATOM 741 O ALA A 46 5.351 6.340 11.267 1.00 11.15 O ATOM 742 CB ALA A 46 6.810 4.651 9.765 1.00 8.99 C ATOM 0 H ALA A 46 4.879 2.343 9.536 1.00 6.53 H new ATOM 0 HA ALA A 46 5.552 3.368 11.147 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.329 5.236 10.524 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.434 3.808 9.467 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.610 5.279 8.897 1.00 8.99 H new ATOM 748 N GLY A 47 3.431 5.188 11.238 1.00 9.35 N ATOM 749 CA GLY A 47 2.611 6.283 11.840 1.00 11.68 C ATOM 750 C GLY A 47 2.068 7.268 10.807 1.00 11.14 C ATOM 751 O GLY A 47 1.462 8.261 11.219 1.00 13.93 O ATOM 0 H GLY A 47 2.898 4.343 11.032 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.777 5.844 12.387 1.00 11.68 H new ATOM 0 HA3 GLY A 47 3.218 6.825 12.565 1.00 11.68 H new ATOM 755 N LYS A 48 2.282 7.057 9.508 1.00 10.47 N ATOM 756 CA LYS A 48 1.922 7.978 8.460 1.00 8.82 C ATOM 757 C LYS A 48 0.986 7.331 7.508 1.00 7.68 C ATOM 758 O LYS A 48 0.758 6.121 7.508 1.00 6.47 O ATOM 759 CB LYS A 48 3.190 8.346 7.621 1.00 9.74 C ATOM 760 CG LYS A 48 4.348 8.880 8.468 1.00 14.14 C ATOM 761 CD LYS A 48 5.553 9.102 7.557 1.00 16.32 C ATOM 762 CE LYS A 48 6.805 9.770 8.193 1.00 20.04 C ATOM 763 NZ LYS A 48 7.889 9.703 7.264 1.00 23.92 N ATOM 0 H LYS A 48 2.726 6.208 9.158 1.00 10.47 H new ATOM 0 HA LYS A 48 1.474 8.854 8.930 1.00 8.82 H new ATOM 0 HB2 LYS A 48 3.525 7.463 7.077 1.00 9.74 H new ATOM 0 HB3 LYS A 48 2.919 9.095 6.877 1.00 9.74 H new ATOM 0 HG2 LYS A 48 4.063 9.813 8.953 1.00 14.14 H new ATOM 0 HG3 LYS A 48 4.596 8.172 9.259 1.00 14.14 H new ATOM 0 HD2 LYS A 48 5.854 8.136 7.151 1.00 16.32 H new ATOM 0 HD3 LYS A 48 5.233 9.715 6.715 1.00 16.32 H new ATOM 0 HE2 LYS A 48 6.590 10.808 8.447 1.00 20.04 H new ATOM 0 HE3 LYS A 48 7.072 9.264 9.121 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 8.732 10.148 7.681 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 8.096 8.708 7.043 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 7.629 10.204 6.391 1.00 23.92 H new ATOM 777 N GLN A 49 0.335 8.171 6.635 1.00 8.89 N ATOM 778 CA GLN A 49 -0.330 7.581 5.453 1.00 7.18 C ATOM 779 C GLN A 49 0.603 7.674 4.273 1.00 8.23 C ATOM 780 O GLN A 49 1.363 8.622 4.152 1.00 9.70 O ATOM 781 CB GLN A 49 -1.619 8.332 5.204 1.00 11.67 C ATOM 782 CG GLN A 49 -2.822 7.748 5.974 1.00 15.82 C ATOM 783 CD GLN A 49 -3.900 8.776 5.873 1.00 20.21 C ATOM 784 OE1 GLN A 49 -3.996 9.548 4.928 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.707 8.876 6.967 1.00 20.67 N ATOM 0 H GLN A 49 0.265 9.184 6.727 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.568 6.530 5.616 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.485 9.375 5.490 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.839 8.320 4.136 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -3.142 6.800 5.541 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.564 7.552 7.015 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -4.603 8.218 7.739 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -5.415 9.609 7.013 1.00 20.67 H new ATOM 794 N LEU A 50 0.607 6.755 3.317 1.00 6.51 N ATOM 795 CA LEU A 50 1.486 6.775 2.149 1.00 7.41 C ATOM 796 C LEU A 50 0.829 7.463 0.948 1.00 8.27 C ATOM 797 O LEU A 50 -0.285 7.172 0.473 1.00 8.34 O ATOM 798 CB LEU A 50 1.925 5.358 1.749 1.00 7.13 C ATOM 799 CG LEU A 50 2.631 4.594 2.974 1.00 7.53 C ATOM 800 CD1 LEU A 50 3.093 3.183 2.653 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.828 5.379 3.501 1.00 9.11 C ATOM 0 H LEU A 50 -0.019 5.950 3.330 1.00 6.51 H new ATOM 0 HA LEU A 50 2.365 7.350 2.439 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.058 4.788 1.414 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.615 5.413 0.907 1.00 7.13 H new ATOM 0 HG LEU A 50 1.849 4.520 3.730 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.557 2.743 3.535 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.236 2.579 2.354 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.817 3.214 1.839 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.283 4.836 4.329 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.560 5.505 2.703 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.497 6.358 3.848 1.00 9.11 H new ATOM 813 N GLU A 51 1.468 8.542 0.460 1.00 9.43 N ATOM 814 CA GLU A 51 1.031 9.328 -0.670 1.00 11.90 C ATOM 815 C GLU A 51 1.406 8.673 -1.989 1.00 11.49 C ATOM 816 O GLU A 51 2.561 8.232 -2.182 1.00 9.88 O ATOM 817 CB GLU A 51 1.739 10.692 -0.486 1.00 16.56 C ATOM 818 CG GLU A 51 1.121 11.640 -1.531 1.00 26.06 C ATOM 819 CD GLU A 51 1.730 13.034 -1.344 1.00 29.86 C ATOM 820 OE1 GLU A 51 2.823 13.359 -1.933 1.00 32.13 O ATOM 821 OE2 GLU A 51 1.138 13.755 -0.497 1.00 33.44 O ATOM 0 H GLU A 51 2.335 8.890 0.870 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.054 9.429 -0.706 1.00 11.90 H new ATOM 0 HB2 GLU A 51 1.590 11.075 0.524 1.00 16.56 H new ATOM 0 HB3 GLU A 51 2.814 10.596 -0.635 1.00 16.56 H new ATOM 0 HG2 GLU A 51 1.317 11.273 -2.538 1.00 26.06 H new ATOM 0 HG3 GLU A 51 0.038 11.681 -1.412 1.00 26.06 H new ATOM 828 N ASP A 52 0.434 8.527 -2.895 1.00 12.71 N ATOM 829 CA ASP A 52 0.501 7.746 -4.139 1.00 16.56 C ATOM 830 C ASP A 52 1.534 8.163 -5.130 1.00 15.83 C ATOM 831 O ASP A 52 2.048 7.360 -5.898 1.00 17.21 O ATOM 832 CB ASP A 52 -0.868 7.818 -4.977 1.00 21.05 C ATOM 833 CG ASP A 52 -2.072 7.263 -4.196 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.002 6.877 -3.005 1.00 28.37 O ATOM 835 OD2 ASP A 52 -3.175 7.221 -4.875 1.00 25.82 O ATOM 0 H ASP A 52 -0.474 8.976 -2.775 1.00 12.71 H new ATOM 0 HA ASP A 52 0.738 6.757 -3.746 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -1.066 8.854 -5.254 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -0.752 7.257 -5.904 1.00 21.05 H new ATOM 840 N GLY A 53 1.916 9.502 -5.127 1.00 15.00 N ATOM 841 CA GLY A 53 2.824 10.061 -6.057 1.00 11.77 C ATOM 842 C GLY A 53 4.254 9.817 -5.795 1.00 11.10 C ATOM 843 O GLY A 53 5.111 9.999 -6.669 1.00 11.25 O ATOM 0 H GLY A 53 1.564 10.177 -4.448 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.585 9.671 -7.046 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.660 11.138 -6.091 1.00 11.77 H new ATOM 847 N ARG A 54 4.504 9.235 -4.607 1.00 8.53 N ATOM 848 CA ARG A 54 5.835 8.894 -4.070 1.00 9.05 C ATOM 849 C ARG A 54 6.282 7.397 -4.063 1.00 8.96 C ATOM 850 O ARG A 54 5.465 6.508 -4.273 1.00 11.60 O ATOM 851 CB ARG A 54 6.015 9.486 -2.645 1.00 7.97 C ATOM 852 CG ARG A 54 5.371 10.868 -2.346 1.00 9.62 C ATOM 853 CD ARG A 54 5.977 11.532 -1.089 1.00 12.20 C ATOM 854 NE ARG A 54 4.966 12.420 -0.540 1.00 18.23 N ATOM 855 CZ ARG A 54 4.828 12.704 0.740 1.00 22.08 C ATOM 856 NH1 ARG A 54 5.738 12.498 1.698 1.00 25.50 N ATOM 857 NH2 ARG A 54 3.690 13.298 1.158 1.00 23.38 N ATOM 0 H ARG A 54 3.752 8.979 -3.968 1.00 8.53 H new ATOM 0 HA ARG A 54 6.496 9.351 -4.807 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.612 8.768 -1.931 1.00 7.97 H new ATOM 0 HB3 ARG A 54 7.084 9.566 -2.448 1.00 7.97 H new ATOM 0 HG2 ARG A 54 5.509 11.525 -3.205 1.00 9.62 H new ATOM 0 HG3 ARG A 54 4.297 10.745 -2.208 1.00 9.62 H new ATOM 0 HD2 ARG A 54 6.265 10.778 -0.357 1.00 12.20 H new ATOM 0 HD3 ARG A 54 6.879 12.088 -1.345 1.00 12.20 H new ATOM 0 HE ARG A 54 4.315 12.856 -1.193 1.00 18.23 H new ATOM 0 HH11 ARG A 54 6.640 12.084 1.464 1.00 25.50 H new ATOM 0 HH12 ARG A 54 5.530 12.755 2.663 1.00 25.50 H new ATOM 0 HH21 ARG A 54 2.954 13.520 0.487 1.00 23.38 H new ATOM 0 HH22 ARG A 54 3.566 13.525 2.145 1.00 23.38 H new ATOM 871 N THR A 55 7.603 7.100 -3.899 1.00 9.05 N ATOM 872 CA THR A 55 8.005 5.650 -3.880 1.00 9.03 C ATOM 873 C THR A 55 8.201 5.050 -2.527 1.00 8.15 C ATOM 874 O THR A 55 8.367 5.647 -1.476 1.00 5.91 O ATOM 875 CB THR A 55 9.302 5.357 -4.660 1.00 11.15 C ATOM 876 OG1 THR A 55 10.375 5.995 -4.003 1.00 11.95 O ATOM 877 CG2 THR A 55 9.226 6.047 -6.070 1.00 11.71 C ATOM 0 H THR A 55 8.358 7.777 -3.786 1.00 9.05 H new ATOM 0 HA THR A 55 7.138 5.193 -4.357 1.00 9.03 H new ATOM 0 HB THR A 55 9.431 4.277 -4.734 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.357 6.954 -4.203 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.141 5.842 -6.625 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.372 5.654 -6.622 1.00 11.71 H new ATOM 0 HG23 THR A 55 9.112 7.124 -5.943 1.00 11.71 H new ATOM 885 N LEU A 56 8.293 3.675 -2.597 1.00 6.91 N ATOM 886 CA LEU A 56 8.875 2.917 -1.501 1.00 8.29 C ATOM 887 C LEU A 56 10.247 3.393 -0.991 1.00 8.05 C ATOM 888 O LEU A 56 10.449 3.494 0.263 1.00 10.17 O ATOM 889 CB LEU A 56 8.856 1.491 -1.971 1.00 6.60 C ATOM 890 CG LEU A 56 7.488 0.855 -2.103 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.541 -0.385 -3.060 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.965 0.311 -0.818 1.00 8.64 C ATOM 0 H LEU A 56 7.974 3.114 -3.387 1.00 6.91 H new ATOM 0 HA LEU A 56 8.286 3.064 -0.596 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.353 1.442 -2.940 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.448 0.893 -1.278 1.00 6.60 H new ATOM 0 HG LEU A 56 6.849 1.657 -2.472 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.547 -0.826 -3.140 1.00 9.85 H new ATOM 0 HD12 LEU A 56 7.878 -0.069 -4.047 1.00 9.85 H new ATOM 0 HD13 LEU A 56 8.235 -1.124 -2.660 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.982 -0.130 -0.983 1.00 8.64 H new ATOM 0 HD22 LEU A 56 7.647 -0.452 -0.442 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.883 1.117 -0.088 1.00 8.64 H new ATOM 904 N SER A 57 11.241 3.692 -1.901 1.00 8.92 N ATOM 905 CA SER A 57 12.570 4.214 -1.451 1.00 9.00 C ATOM 906 C SER A 57 12.555 5.630 -0.809 1.00 9.44 C ATOM 907 O SER A 57 13.281 5.888 0.171 1.00 10.91 O ATOM 908 CB SER A 57 13.597 4.188 -2.620 1.00 10.32 C ATOM 909 OG SER A 57 13.150 4.831 -3.828 1.00 13.59 O ATOM 0 H SER A 57 11.146 3.583 -2.911 1.00 8.92 H new ATOM 0 HA SER A 57 12.867 3.533 -0.653 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.517 4.669 -2.288 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.843 3.151 -2.846 1.00 10.32 H new ATOM 0 HG SER A 57 12.242 5.175 -3.698 1.00 13.59 H new ATOM 915 N ASP A 58 11.652 6.546 -1.275 1.00 9.11 N ATOM 916 CA ASP A 58 11.387 7.828 -0.664 1.00 7.91 C ATOM 917 C ASP A 58 10.919 7.653 0.796 1.00 9.12 C ATOM 918 O ASP A 58 11.269 8.340 1.759 1.00 8.61 O ATOM 919 CB ASP A 58 10.279 8.588 -1.410 1.00 8.41 C ATOM 920 CG ASP A 58 10.696 9.012 -2.770 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.811 9.632 -2.886 1.00 10.05 O ATOM 922 OD2 ASP A 58 9.964 8.586 -3.706 1.00 11.70 O ATOM 0 H ASP A 58 11.089 6.380 -2.109 1.00 9.11 H new ATOM 0 HA ASP A 58 12.320 8.390 -0.706 1.00 7.91 H new ATOM 0 HB2 ASP A 58 9.396 7.954 -1.486 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.992 9.466 -0.831 1.00 8.41 H new ATOM 927 N TYR A 59 10.100 6.607 1.029 1.00 7.97 N ATOM 928 CA TYR A 59 9.519 6.355 2.369 1.00 8.45 C ATOM 929 C TYR A 59 10.349 5.385 3.136 1.00 10.98 C ATOM 930 O TYR A 59 10.060 5.094 4.308 1.00 12.95 O ATOM 931 CB TYR A 59 8.089 5.749 2.244 1.00 7.94 C ATOM 932 CG TYR A 59 6.950 6.809 2.190 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.729 7.696 3.249 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.179 6.942 0.982 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.672 8.643 3.209 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.206 7.915 0.939 1.00 6.52 C ATOM 937 CZ TYR A 59 4.902 8.733 2.042 1.00 6.76 C ATOM 938 OH TYR A 59 3.806 9.686 1.941 1.00 7.63 O ATOM 0 H TYR A 59 9.827 5.929 0.318 1.00 7.97 H new ATOM 0 HA TYR A 59 9.484 7.314 2.886 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.043 5.137 1.343 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.913 5.085 3.090 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.375 7.660 4.114 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.358 6.297 0.134 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.466 9.279 4.058 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.654 8.056 0.021 1.00 6.52 H new ATOM 0 HH TYR A 59 4.002 10.470 2.495 1.00 7.63 H new ATOM 948 N ASN A 60 11.491 4.933 2.558 1.00 12.38 N ATOM 949 CA ASN A 60 12.395 3.934 3.073 1.00 13.94 C ATOM 950 C ASN A 60 11.775 2.664 3.630 1.00 14.16 C ATOM 951 O ASN A 60 12.040 2.167 4.732 1.00 14.26 O ATOM 952 CB ASN A 60 13.458 4.448 4.041 1.00 19.23 C ATOM 953 CG ASN A 60 14.117 5.736 3.539 1.00 22.65 C ATOM 954 OD1 ASN A 60 13.819 6.830 3.950 1.00 25.45 O ATOM 955 ND2 ASN A 60 15.201 5.595 2.707 1.00 24.09 N ATOM 0 H ASN A 60 11.805 5.297 1.658 1.00 12.38 H new ATOM 0 HA ASN A 60 12.886 3.654 2.141 1.00 13.94 H new ATOM 0 HB2 ASN A 60 13.004 4.629 5.015 1.00 19.23 H new ATOM 0 HB3 ASN A 60 14.220 3.682 4.182 1.00 19.23 H new ATOM 0 HD21 ASN A 60 15.749 6.413 2.440 1.00 24.09 H new ATOM 0 HD22 ASN A 60 15.458 4.672 2.356 1.00 24.09 H new ATOM 962 N ILE A 61 10.969 2.008 2.746 1.00 11.08 N ATOM 963 CA ILE A 61 10.313 0.714 3.100 1.00 11.78 C ATOM 964 C ILE A 61 11.147 -0.423 2.524 1.00 13.74 C ATOM 965 O ILE A 61 11.748 -0.266 1.467 1.00 14.60 O ATOM 966 CB ILE A 61 8.878 0.605 2.500 1.00 11.80 C ATOM 967 CG1 ILE A 61 7.997 1.677 3.210 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.240 -0.797 2.659 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.773 2.150 2.440 1.00 11.42 C ATOM 0 H ILE A 61 10.761 2.344 1.805 1.00 11.08 H new ATOM 0 HA ILE A 61 10.241 0.660 4.186 1.00 11.78 H new ATOM 0 HB ILE A 61 8.943 0.773 1.425 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.666 1.271 4.166 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.621 2.543 3.430 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.243 -0.795 2.218 1.00 13.29 H new ATOM 0 HG22 ILE A 61 8.859 -1.538 2.153 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.168 -1.046 3.718 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.237 2.894 3.030 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.087 2.594 1.495 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.117 1.302 2.243 1.00 11.42 H new ATOM 981 N GLN A 62 11.296 -1.500 3.344 1.00 13.97 N ATOM 982 CA GLN A 62 12.258 -2.519 3.103 1.00 15.52 C ATOM 983 C GLN A 62 11.640 -3.806 2.774 1.00 13.94 C ATOM 984 O GLN A 62 10.417 -3.993 2.768 1.00 12.15 O ATOM 985 CB GLN A 62 13.121 -2.747 4.381 1.00 19.53 C ATOM 986 CG GLN A 62 13.722 -1.442 4.904 1.00 26.38 C ATOM 987 CD GLN A 62 14.734 -1.674 6.028 1.00 30.61 C ATOM 988 OE1 GLN A 62 15.086 -2.766 6.469 1.00 33.23 O ATOM 989 NE2 GLN A 62 15.277 -0.531 6.475 1.00 32.71 N ATOM 0 H GLN A 62 10.734 -1.651 4.181 1.00 13.97 H new ATOM 0 HA GLN A 62 12.859 -2.179 2.259 1.00 15.52 H new ATOM 0 HB2 GLN A 62 12.506 -3.200 5.158 1.00 19.53 H new ATOM 0 HB3 GLN A 62 13.922 -3.451 4.157 1.00 19.53 H new ATOM 0 HG2 GLN A 62 14.209 -0.915 4.083 1.00 26.38 H new ATOM 0 HG3 GLN A 62 12.922 -0.797 5.267 1.00 26.38 H new ATOM 0 HE21 GLN A 62 14.969 0.363 6.094 1.00 32.71 H new ATOM 0 HE22 GLN A 62 15.998 -0.557 7.196 1.00 32.71 H new ATOM 998 N LYS A 63 12.467 -4.845 2.358 1.00 11.73 N ATOM 999 CA LYS A 63 11.877 -6.098 2.065 1.00 11.97 C ATOM 1000 C LYS A 63 11.398 -6.832 3.272 1.00 10.41 C ATOM 1001 O LYS A 63 11.923 -6.668 4.357 1.00 9.59 O ATOM 1002 CB LYS A 63 12.847 -7.036 1.341 1.00 13.73 C ATOM 1003 CG LYS A 63 14.111 -7.496 2.110 1.00 16.98 C ATOM 1004 CD LYS A 63 14.764 -8.613 1.321 1.00 20.19 C ATOM 1005 CE LYS A 63 16.191 -8.748 1.606 1.00 23.42 C ATOM 1006 NZ LYS A 63 16.781 -9.848 0.855 1.00 25.97 N ATOM 0 H LYS A 63 13.479 -4.789 2.241 1.00 11.73 H new ATOM 0 HA LYS A 63 11.027 -5.842 1.432 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.293 -7.926 1.042 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.172 -6.541 0.426 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.804 -6.664 2.235 1.00 16.98 H new ATOM 0 HG3 LYS A 63 13.844 -7.842 3.109 1.00 16.98 H new ATOM 0 HD2 LYS A 63 14.262 -9.554 1.548 1.00 20.19 H new ATOM 0 HD3 LYS A 63 14.627 -8.428 0.256 1.00 20.19 H new ATOM 0 HE2 LYS A 63 16.703 -7.819 1.356 1.00 23.42 H new ATOM 0 HE3 LYS A 63 16.336 -8.915 2.673 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 17.794 -9.917 1.079 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 16.308 -10.737 1.113 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 16.663 -9.675 -0.164 1.00 25.97 H new ATOM 1020 N GLU A 64 10.210 -7.528 3.088 1.00 10.04 N ATOM 1021 CA GLU A 64 9.465 -8.232 4.092 1.00 10.94 C ATOM 1022 C GLU A 64 8.898 -7.326 5.223 1.00 9.74 C ATOM 1023 O GLU A 64 8.735 -7.782 6.338 1.00 9.42 O ATOM 1024 CB GLU A 64 10.220 -9.470 4.569 1.00 18.31 C ATOM 1025 CG GLU A 64 10.676 -10.369 3.364 1.00 24.16 C ATOM 1026 CD GLU A 64 11.406 -11.632 3.874 1.00 29.00 C ATOM 1027 OE1 GLU A 64 11.619 -11.941 5.085 1.00 31.72 O ATOM 1028 OE2 GLU A 64 11.738 -12.442 2.938 1.00 32.61 O ATOM 0 H GLU A 64 9.766 -7.586 2.172 1.00 10.04 H new ATOM 0 HA GLU A 64 8.555 -8.599 3.616 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.093 -9.165 5.147 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.583 -10.051 5.236 1.00 18.31 H new ATOM 0 HG2 GLU A 64 9.809 -10.658 2.770 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.336 -9.801 2.708 1.00 24.16 H new ATOM 1035 N SER A 65 8.589 -6.098 4.827 1.00 6.85 N ATOM 1036 CA SER A 65 8.077 -5.060 5.745 1.00 6.90 C ATOM 1037 C SER A 65 6.593 -5.068 5.634 1.00 4.72 C ATOM 1038 O SER A 65 6.054 -5.604 4.578 1.00 3.91 O ATOM 1039 CB SER A 65 8.659 -3.617 5.447 1.00 7.28 C ATOM 1040 OG SER A 65 8.223 -2.689 6.472 1.00 10.56 O ATOM 0 H SER A 65 8.682 -5.782 3.862 1.00 6.85 H new ATOM 0 HA SER A 65 8.402 -5.293 6.759 1.00 6.90 H new ATOM 0 HB2 SER A 65 9.748 -3.654 5.416 1.00 7.28 H new ATOM 0 HB3 SER A 65 8.324 -3.275 4.468 1.00 7.28 H new ATOM 0 HG SER A 65 8.587 -1.799 6.284 1.00 10.56 H new ATOM 1046 N THR A 66 5.884 -4.695 6.682 1.00 4.48 N ATOM 1047 CA THR A 66 4.492 -4.926 6.897 1.00 3.80 C ATOM 1048 C THR A 66 3.802 -3.621 6.725 1.00 4.60 C ATOM 1049 O THR A 66 3.930 -2.682 7.472 1.00 5.33 O ATOM 1050 CB THR A 66 4.145 -5.370 8.308 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.716 -6.661 8.505 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.614 -5.581 8.497 1.00 3.40 C ATOM 0 H THR A 66 6.310 -4.185 7.456 1.00 4.48 H new ATOM 0 HA THR A 66 4.195 -5.711 6.202 1.00 3.80 H new ATOM 0 HB THR A 66 4.508 -4.603 8.993 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.510 -6.975 9.410 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.414 -5.898 9.521 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.091 -4.646 8.298 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.264 -6.347 7.805 1.00 3.40 H new ATOM 1060 N LEU A 67 3.046 -3.513 5.586 1.00 4.17 N ATOM 1061 CA LEU A 67 2.223 -2.341 5.231 1.00 3.85 C ATOM 1062 C LEU A 67 0.819 -2.589 5.715 1.00 3.80 C ATOM 1063 O LEU A 67 0.340 -3.708 5.910 1.00 5.54 O ATOM 1064 CB LEU A 67 2.307 -2.183 3.750 1.00 7.18 C ATOM 1065 CG LEU A 67 3.691 -1.879 3.148 1.00 9.67 C ATOM 1066 CD1 LEU A 67 3.517 -1.395 1.759 1.00 8.12 C ATOM 1067 CD2 LEU A 67 4.430 -0.832 3.998 1.00 11.66 C ATOM 0 H LEU A 67 3.001 -4.256 4.889 1.00 4.17 H new ATOM 0 HA LEU A 67 2.568 -1.418 5.697 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.934 -3.099 3.292 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.629 -1.381 3.458 1.00 7.18 H new ATOM 0 HG LEU A 67 4.292 -2.788 3.141 1.00 9.67 H new ATOM 0 HD11 LEU A 67 4.493 -1.177 1.325 1.00 8.12 H new ATOM 0 HD12 LEU A 67 3.019 -2.162 1.166 1.00 8.12 H new ATOM 0 HD13 LEU A 67 2.911 -0.489 1.763 1.00 8.12 H new ATOM 0 HD21 LEU A 67 5.406 -0.629 3.558 1.00 11.66 H new ATOM 0 HD22 LEU A 67 3.847 0.089 4.029 1.00 11.66 H new ATOM 0 HD23 LEU A 67 4.561 -1.212 5.011 1.00 11.66 H new ATOM 1079 N HIS A 68 0.085 -1.510 6.074 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.175 -1.591 6.714 1.00 4.17 C ATOM 1081 C HIS A 68 -2.251 -1.001 5.780 1.00 5.32 C ATOM 1082 O HIS A 68 -2.112 0.107 5.313 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.274 -0.813 8.112 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.282 -1.398 9.038 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.985 -0.845 9.251 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -0.256 -2.619 9.600 1.00 12.79 C ATOM 1087 CE1 HIS A 68 1.660 -1.752 10.064 1.00 14.75 C ATOM 1088 NE2 HIS A 68 0.935 -2.879 10.331 1.00 16.30 N ATOM 0 H HIS A 68 0.392 -0.552 5.906 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.324 -2.650 6.926 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.080 0.250 7.970 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.279 -0.901 8.526 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -1.061 -3.332 9.505 1.00 12.79 H new ATOM 0 HE1 HIS A 68 2.656 -1.582 10.445 1.00 14.75 H new ATOM 0 HE2 HIS A 68 1.182 -3.688 10.901 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.364 -1.666 5.526 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.379 -1.269 4.626 1.00 3.97 C ATOM 1098 C LEU A 69 -5.683 -0.972 5.347 1.00 5.07 C ATOM 1099 O LEU A 69 -6.272 -1.779 5.999 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.629 -2.360 3.570 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.572 -1.966 2.433 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -4.881 -0.913 1.516 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -6.001 -3.161 1.565 1.00 9.96 C ATOM 0 H LEU A 69 -3.576 -2.553 5.984 1.00 5.29 H new ATOM 0 HA LEU A 69 -4.032 -0.358 4.139 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.671 -2.653 3.140 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -5.036 -3.239 4.069 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.466 -1.555 2.901 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -5.557 -0.635 0.707 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -4.633 -0.028 2.101 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -3.969 -1.338 1.097 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.669 -2.816 0.776 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -5.120 -3.621 1.119 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.519 -3.893 2.184 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.058 0.378 5.256 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.347 0.855 5.645 1.00 6.26 C ATOM 1117 C VAL A 70 -8.171 1.170 4.333 1.00 9.22 C ATOM 1118 O VAL A 70 -7.707 1.614 3.319 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.396 1.954 6.603 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -8.825 2.086 7.196 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.384 1.697 7.767 1.00 8.54 C ATOM 0 H VAL A 70 -5.438 1.108 4.907 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.799 0.050 6.225 1.00 6.26 H new ATOM 0 HB VAL A 70 -7.131 2.875 6.084 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -8.848 2.910 7.910 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -9.536 2.281 6.393 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -9.096 1.160 7.702 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -6.428 2.523 8.477 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -6.642 0.768 8.275 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -5.375 1.621 7.362 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.539 0.993 4.263 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.424 1.361 3.174 1.00 16.06 C ATOM 1133 C LEU A 71 -11.242 2.590 3.466 1.00 18.09 C ATOM 1134 O LEU A 71 -11.985 2.581 4.424 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.289 0.139 2.793 1.00 17.10 C ATOM 1136 CG LEU A 71 -10.435 -1.085 2.318 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -11.310 -1.980 1.402 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -9.223 -0.710 1.470 1.00 19.57 C ATOM 0 H LEU A 71 -10.051 0.559 5.032 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.816 1.642 2.314 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.892 -0.156 3.652 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.981 0.423 2.000 1.00 17.10 H new ATOM 0 HG LEU A 71 -10.094 -1.573 3.231 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -10.726 -2.836 1.065 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -12.179 -2.330 1.959 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -11.641 -1.403 0.538 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -8.686 -1.614 1.183 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -9.554 -0.184 0.574 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -8.562 -0.063 2.047 1.00 19.57 H new ATOM 1150 N ARG A 72 -10.992 3.693 2.751 1.00 21.47 N ATOM 1151 CA ARG A 72 -11.449 5.047 3.017 1.00 25.83 C ATOM 1152 C ARG A 72 -12.979 5.241 3.049 1.00 27.74 C ATOM 1153 O ARG A 72 -13.652 4.621 2.319 1.00 30.65 O ATOM 1154 CB ARG A 72 -10.771 5.993 2.065 1.00 28.49 C ATOM 1155 CG ARG A 72 -10.836 7.413 2.562 1.00 31.79 C ATOM 1156 CD ARG A 72 -10.428 8.317 1.469 1.00 34.05 C ATOM 1157 NE ARG A 72 -10.593 9.714 1.986 1.00 35.08 N ATOM 1158 CZ ARG A 72 -10.075 10.816 1.423 1.00 34.67 C ATOM 1159 NH1 ARG A 72 -9.348 10.726 0.369 1.00 34.97 N ATOM 1160 NH2 ARG A 72 -10.530 11.998 1.941 1.00 35.02 N ATOM 0 H ARG A 72 -10.420 3.650 1.908 1.00 21.47 H new ATOM 0 HA ARG A 72 -11.157 5.275 4.042 1.00 25.83 H new ATOM 0 HB2 ARG A 72 -9.730 5.698 1.937 1.00 28.49 H new ATOM 0 HB3 ARG A 72 -11.244 5.927 1.085 1.00 28.49 H new ATOM 0 HG2 ARG A 72 -11.847 7.652 2.892 1.00 31.79 H new ATOM 0 HG3 ARG A 72 -10.181 7.542 3.423 1.00 31.79 H new ATOM 0 HD2 ARG A 72 -9.394 8.131 1.178 1.00 34.05 H new ATOM 0 HD3 ARG A 72 -11.043 8.156 0.583 1.00 34.05 H new ATOM 0 HE ARG A 72 -11.144 9.837 2.835 1.00 35.08 H new ATOM 0 HH11 ARG A 72 -9.161 9.813 -0.045 1.00 34.97 H new ATOM 0 HH12 ARG A 72 -8.957 11.568 -0.054 1.00 34.97 H new ATOM 0 HH21 ARG A 72 -11.213 11.994 2.699 1.00 35.02 H new ATOM 0 HH22 ARG A 72 -10.186 12.884 1.569 1.00 35.02 H new ATOM 1174 N LEU A 73 -13.564 6.016 3.988 1.00 28.93 N ATOM 1175 CA LEU A 73 -14.967 6.343 3.923 1.00 30.76 C ATOM 1176 C LEU A 73 -15.186 7.272 2.719 1.00 32.18 C ATOM 1177 O LEU A 73 -14.314 8.040 2.243 1.00 32.31 O ATOM 1178 CB LEU A 73 -15.467 7.018 5.225 1.00 30.53 C ATOM 1179 CG LEU A 73 -15.150 6.286 6.504 1.00 30.16 C ATOM 1180 CD1 LEU A 73 -15.367 7.252 7.708 1.00 29.57 C ATOM 1181 CD2 LEU A 73 -15.988 5.074 6.524 1.00 29.11 C ATOM 0 H LEU A 73 -13.072 6.415 4.788 1.00 28.93 H new ATOM 0 HA LEU A 73 -15.541 5.423 3.808 1.00 30.76 H new ATOM 0 HB2 LEU A 73 -15.035 8.017 5.283 1.00 30.53 H new ATOM 0 HB3 LEU A 73 -16.548 7.141 5.157 1.00 30.53 H new ATOM 0 HG LEU A 73 -14.111 5.966 6.575 1.00 30.16 H new ATOM 0 HD11 LEU A 73 -15.140 6.731 8.638 1.00 29.57 H new ATOM 0 HD12 LEU A 73 -14.709 8.115 7.605 1.00 29.57 H new ATOM 0 HD13 LEU A 73 -16.404 7.587 7.724 1.00 29.57 H new ATOM 0 HD21 LEU A 73 -15.791 4.511 7.436 1.00 29.11 H new ATOM 0 HD22 LEU A 73 -17.040 5.358 6.493 1.00 29.11 H new ATOM 0 HD23 LEU A 73 -15.754 4.455 5.658 1.00 29.11 H new ATOM 1193 N ARG A 74 -16.421 7.286 2.146 1.00 33.82 N ATOM 1194 CA ARG A 74 -16.692 8.154 1.011 1.00 35.33 C ATOM 1195 C ARG A 74 -16.758 9.660 1.471 1.00 36.22 C ATOM 1196 O ARG A 74 -16.299 10.609 0.855 1.00 36.70 O ATOM 1197 CB ARG A 74 -18.108 7.727 0.494 1.00 36.91 C ATOM 1198 CG ARG A 74 -18.174 6.299 -0.027 1.00 38.62 C ATOM 1199 CD ARG A 74 -19.468 5.704 -0.562 1.00 39.75 C ATOM 1200 NE ARG A 74 -19.201 4.388 -1.132 1.00 41.13 N ATOM 1201 CZ ARG A 74 -19.164 4.030 -2.425 1.00 41.91 C ATOM 1202 NH1 ARG A 74 -18.920 4.966 -3.328 1.00 42.75 N ATOM 1203 NH2 ARG A 74 -19.074 2.730 -2.869 1.00 41.93 N ATOM 0 H ARG A 74 -17.210 6.718 2.454 1.00 33.82 H new ATOM 0 HA ARG A 74 -15.915 8.066 0.252 1.00 35.33 H new ATOM 0 HB2 ARG A 74 -18.828 7.841 1.304 1.00 36.91 H new ATOM 0 HB3 ARG A 74 -18.413 8.407 -0.301 1.00 36.91 H new ATOM 0 HG2 ARG A 74 -17.436 6.219 -0.825 1.00 38.62 H new ATOM 0 HG3 ARG A 74 -17.839 5.651 0.783 1.00 38.62 H new ATOM 0 HD2 ARG A 74 -20.202 5.622 0.240 1.00 39.75 H new ATOM 0 HD3 ARG A 74 -19.896 6.360 -1.320 1.00 39.75 H new ATOM 0 HE ARG A 74 -19.019 3.643 -0.460 1.00 41.13 H new ATOM 0 HH11 ARG A 74 -18.766 5.930 -3.034 1.00 42.75 H new ATOM 0 HH12 ARG A 74 -18.886 4.723 -4.318 1.00 42.75 H new ATOM 0 HH21 ARG A 74 -19.031 1.964 -2.197 1.00 41.93 H new ATOM 0 HH22 ARG A 74 -19.051 2.533 -3.870 1.00 41.93 H new ATOM 1217 N GLY A 75 -17.346 9.827 2.686 1.00 36.31 N ATOM 1218 CA GLY A 75 -17.562 11.175 3.313 1.00 36.07 C ATOM 1219 C GLY A 75 -16.386 11.659 4.053 1.00 36.16 C ATOM 1220 O GLY A 75 -16.393 12.814 4.532 1.00 36.26 O ATOM 0 H GLY A 75 -17.681 9.050 3.256 1.00 36.31 H new ATOM 0 HA2 GLY A 75 -17.817 11.895 2.535 1.00 36.07 H new ATOM 0 HA3 GLY A 75 -18.414 11.122 3.990 1.00 36.07 H new ATOM 1224 N GLY A 76 -15.365 10.832 4.088 1.00 36.05 N ATOM 1225 CA GLY A 76 -14.233 10.978 4.902 1.00 36.19 C ATOM 1226 C GLY A 76 -12.965 11.186 4.035 1.00 36.20 C ATOM 1227 O GLY A 76 -12.832 12.133 3.205 1.00 0.00 O ATOM 1228 OXT GLY A 76 -11.959 10.468 4.222 1.00 0.00 O ATOM 0 H GLY A 76 -15.324 9.997 3.504 1.00 36.05 H new ATOM 0 HA2 GLY A 76 -14.366 11.828 5.572 1.00 36.19 H new ATOM 0 HA3 GLY A 76 -14.112 10.094 5.528 1.00 36.19 H new TER 1232 GLY A 76