USER MOD reduce.3.24.130724 H: found=0, std=0, add=619, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 618 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 Single : A 1 ASN : amide:sc= 0 X(o=0,f=-0.0039) USER MOD Single : A 1 ASN N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 141:sc= -0.0593 (180deg=-0.832) USER MOD Single : A 18 TYR OH : rot 165:sc= -1.88 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 GLN : amide:sc= -3.02 K(o=-3,f=-12!) USER MOD Single : A 24 THR OG1 : rot 41:sc= 0.0704 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 30:sc= -4.59! USER MOD Single : A 36 GLN : amide:sc=-0.00865 K(o=-0.0086,f=-1.9) USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 161:sc= 1.06 (180deg=0.813) USER MOD Single : A 48 GLN : amide:sc= -1.8 K(o=-1.8,f=-0.66) USER MOD Single : A 49 MET CE :methyl -151:sc= -3.34 (180deg=-5.11!) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ -139:sc= -0.147 (180deg=-0.6) USER MOD Single : A 55 MET CE :methyl -145:sc= -0.452 (180deg=-1.82!) USER MOD Single : A 56 ASN : amide:sc= 0.0193 X(o=0.019,f=0) USER MOD Single : A 57 THR OG1 : rot 180:sc=-0.00417 USER MOD Single : A 60 ASN : amide:sc= -0.149 X(o=-0.15,f=0) USER MOD Single : A 62 THR OG1 : rot 110:sc= -0.869 USER MOD Single : A 67 LYS NZ :NH3+ -144:sc= -0.641 (180deg=-2.84!) USER MOD Single : A 73 LYS NZ :NH3+ 161:sc=-0.00888 (180deg=-0.185) USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 -19.449 4.198 10.716 1.00 0.00 N ATOM 2 CA ASN A 1 -18.508 3.820 9.629 1.00 0.00 C ATOM 3 C ASN A 1 -19.072 2.683 8.782 1.00 0.00 C ATOM 4 O ASN A 1 -19.480 1.648 9.307 1.00 0.00 O ATOM 5 CB ASN A 1 -17.180 3.400 10.259 1.00 0.00 C ATOM 6 CG ASN A 1 -16.012 3.560 9.306 1.00 0.00 C ATOM 7 OD1 ASN A 1 -15.670 4.672 8.905 1.00 0.00 O ATOM 8 ND2 ASN A 1 -15.391 2.446 8.939 1.00 0.00 N ATOM 0 H1 ASN A 1 -19.040 4.973 11.276 1.00 0.00 H new ATOM 0 H2 ASN A 1 -20.351 4.509 10.302 1.00 0.00 H new ATOM 0 H3 ASN A 1 -19.616 3.377 11.332 1.00 0.00 H new ATOM 0 HA ASN A 1 -18.358 4.676 8.971 1.00 0.00 H new ATOM 0 HB2 ASN A 1 -17.000 3.997 11.153 1.00 0.00 H new ATOM 0 HB3 ASN A 1 -17.245 2.360 10.578 1.00 0.00 H new ATOM 0 HD21 ASN A 1 -14.597 2.491 8.300 1.00 0.00 H new ATOM 0 HD22 ASN A 1 -15.708 1.544 9.296 1.00 0.00 H new ATOM 16 N LYS A 2 -19.092 2.885 7.468 1.00 0.00 N ATOM 17 CA LYS A 2 -19.606 1.876 6.548 1.00 0.00 C ATOM 18 C LYS A 2 -18.830 1.891 5.236 1.00 0.00 C ATOM 19 O LYS A 2 -19.386 1.620 4.171 1.00 0.00 O ATOM 20 CB LYS A 2 -21.093 2.114 6.278 1.00 0.00 C ATOM 21 CG LYS A 2 -21.823 0.882 5.767 1.00 0.00 C ATOM 22 CD LYS A 2 -21.673 -0.290 6.723 1.00 0.00 C ATOM 23 CE LYS A 2 -20.587 -1.250 6.262 1.00 0.00 C ATOM 24 NZ LYS A 2 -20.056 -2.068 7.387 1.00 0.00 N ATOM 0 H LYS A 2 -18.759 3.737 7.017 1.00 0.00 H new ATOM 0 HA LYS A 2 -19.480 0.898 7.012 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -21.571 2.454 7.197 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -21.197 2.917 5.548 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -22.880 1.113 5.635 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -21.432 0.606 4.787 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -21.433 0.081 7.720 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -22.621 -0.822 6.800 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -20.988 -1.909 5.492 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -19.773 -0.686 5.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -19.318 -2.709 7.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -19.651 -1.441 8.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -20.828 -2.626 7.805 1.00 0.00 H new ATOM 38 N GLU A 3 -17.542 2.211 5.320 1.00 0.00 N ATOM 39 CA GLU A 3 -16.690 2.261 4.137 1.00 0.00 C ATOM 40 C GLU A 3 -16.272 0.857 3.708 1.00 0.00 C ATOM 41 O GLU A 3 -16.444 0.476 2.550 1.00 0.00 O ATOM 42 CB GLU A 3 -15.448 3.112 4.415 1.00 0.00 C ATOM 43 CG GLU A 3 -14.913 3.824 3.184 1.00 0.00 C ATOM 44 CD GLU A 3 -13.854 3.017 2.458 1.00 0.00 C ATOM 45 OE1 GLU A 3 -14.217 2.028 1.788 1.00 0.00 O ATOM 46 OE2 GLU A 3 -12.662 3.375 2.560 1.00 0.00 O ATOM 0 H GLU A 3 -17.066 2.439 6.193 1.00 0.00 H new ATOM 0 HA GLU A 3 -17.261 2.715 3.327 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -15.688 3.853 5.178 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -14.665 2.474 4.825 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -15.737 4.032 2.502 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -14.493 4.786 3.479 1.00 0.00 H new ATOM 53 N LEU A 4 -15.726 0.095 4.648 1.00 0.00 N ATOM 54 CA LEU A 4 -15.284 -1.267 4.367 1.00 0.00 C ATOM 55 C LEU A 4 -15.350 -2.131 5.621 1.00 0.00 C ATOM 56 O LEU A 4 -16.051 -3.143 5.654 1.00 0.00 O ATOM 57 CB LEU A 4 -13.858 -1.261 3.810 1.00 0.00 C ATOM 58 CG LEU A 4 -12.896 -0.278 4.486 1.00 0.00 C ATOM 59 CD1 LEU A 4 -11.944 -1.014 5.418 1.00 0.00 C ATOM 60 CD2 LEU A 4 -12.117 0.512 3.444 1.00 0.00 C ATOM 0 H LEU A 4 -15.578 0.396 5.611 1.00 0.00 H new ATOM 0 HA LEU A 4 -15.955 -1.692 3.620 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -13.446 -2.266 3.899 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -13.902 -1.028 2.746 1.00 0.00 H new ATOM 0 HG LEU A 4 -13.485 0.422 5.079 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -11.269 -0.298 5.888 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -12.516 -1.533 6.187 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -11.364 -1.739 4.847 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -11.440 1.204 3.944 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -11.541 -0.174 2.823 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -12.812 1.072 2.818 1.00 0.00 H new ATOM 72 N ASP A 5 -14.614 -1.722 6.652 1.00 0.00 N ATOM 73 CA ASP A 5 -14.575 -2.447 7.921 1.00 0.00 C ATOM 74 C ASP A 5 -13.387 -1.983 8.760 1.00 0.00 C ATOM 75 O ASP A 5 -12.464 -1.352 8.246 1.00 0.00 O ATOM 76 CB ASP A 5 -14.482 -3.959 7.684 1.00 0.00 C ATOM 77 CG ASP A 5 -15.803 -4.664 7.922 1.00 0.00 C ATOM 78 OD1 ASP A 5 -16.851 -3.984 7.899 1.00 0.00 O ATOM 79 OD2 ASP A 5 -15.790 -5.894 8.133 1.00 0.00 O ATOM 0 H ASP A 5 -14.032 -0.885 6.633 1.00 0.00 H new ATOM 0 HA ASP A 5 -15.499 -2.235 8.459 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -14.154 -4.144 6.661 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -13.724 -4.381 8.344 1.00 0.00 H new ATOM 84 N PRO A 6 -13.392 -2.291 10.068 1.00 0.00 N ATOM 85 CA PRO A 6 -12.311 -1.902 10.972 1.00 0.00 C ATOM 86 C PRO A 6 -11.120 -2.855 10.900 1.00 0.00 C ATOM 87 O PRO A 6 -10.637 -3.338 11.926 1.00 0.00 O ATOM 88 CB PRO A 6 -12.977 -1.981 12.343 1.00 0.00 C ATOM 89 CG PRO A 6 -13.987 -3.069 12.205 1.00 0.00 C ATOM 90 CD PRO A 6 -14.453 -3.040 10.769 1.00 0.00 C ATOM 0 HA PRO A 6 -11.899 -0.922 10.730 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -12.252 -2.209 13.124 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -13.447 -1.035 12.611 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -13.551 -4.037 12.452 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -14.822 -2.912 12.887 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -14.566 -4.046 10.365 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -15.421 -2.547 10.673 1.00 0.00 H new ATOM 98 N VAL A 7 -10.648 -3.120 9.685 1.00 0.00 N ATOM 99 CA VAL A 7 -9.513 -4.014 9.485 1.00 0.00 C ATOM 100 C VAL A 7 -8.861 -3.778 8.126 1.00 0.00 C ATOM 101 O VAL A 7 -7.647 -3.598 8.032 1.00 0.00 O ATOM 102 CB VAL A 7 -9.930 -5.493 9.593 1.00 0.00 C ATOM 103 CG1 VAL A 7 -10.140 -5.884 11.048 1.00 0.00 C ATOM 104 CG2 VAL A 7 -11.184 -5.759 8.775 1.00 0.00 C ATOM 0 H VAL A 7 -11.034 -2.729 8.826 1.00 0.00 H new ATOM 0 HA VAL A 7 -8.795 -3.792 10.275 1.00 0.00 H new ATOM 0 HB VAL A 7 -9.126 -6.107 9.188 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -10.434 -6.932 11.104 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -9.213 -5.737 11.602 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -10.924 -5.263 11.482 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -11.461 -6.809 8.865 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -11.998 -5.136 9.144 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -10.993 -5.523 7.728 1.00 0.00 H new ATOM 114 N GLN A 8 -9.675 -3.776 7.075 1.00 0.00 N ATOM 115 CA GLN A 8 -9.173 -3.558 5.724 1.00 0.00 C ATOM 116 C GLN A 8 -8.618 -2.143 5.582 1.00 0.00 C ATOM 117 O GLN A 8 -7.695 -1.903 4.805 1.00 0.00 O ATOM 118 CB GLN A 8 -10.286 -3.808 4.698 1.00 0.00 C ATOM 119 CG GLN A 8 -9.965 -3.300 3.300 1.00 0.00 C ATOM 120 CD GLN A 8 -10.463 -4.234 2.214 1.00 0.00 C ATOM 121 OE1 GLN A 8 -9.673 -4.809 1.465 1.00 0.00 O ATOM 122 NE2 GLN A 8 -11.778 -4.389 2.123 1.00 0.00 N ATOM 0 H GLN A 8 -10.683 -3.923 7.133 1.00 0.00 H new ATOM 0 HA GLN A 8 -8.363 -4.263 5.535 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -10.486 -4.878 4.647 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -11.201 -3.329 5.046 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -10.414 -2.316 3.163 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -8.887 -3.175 3.201 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -12.396 -3.892 2.765 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -12.171 -5.005 1.411 1.00 0.00 H new ATOM 131 N LYS A 9 -9.179 -1.214 6.344 1.00 0.00 N ATOM 132 CA LYS A 9 -8.731 0.173 6.310 1.00 0.00 C ATOM 133 C LYS A 9 -7.432 0.332 7.096 1.00 0.00 C ATOM 134 O LYS A 9 -6.659 1.259 6.855 1.00 0.00 O ATOM 135 CB LYS A 9 -9.819 1.094 6.876 1.00 0.00 C ATOM 136 CG LYS A 9 -9.330 2.494 7.220 1.00 0.00 C ATOM 137 CD LYS A 9 -10.442 3.521 7.082 1.00 0.00 C ATOM 138 CE LYS A 9 -9.940 4.927 7.367 1.00 0.00 C ATOM 139 NZ LYS A 9 -10.953 5.743 8.091 1.00 0.00 N ATOM 0 H LYS A 9 -9.945 -1.395 6.993 1.00 0.00 H new ATOM 0 HA LYS A 9 -8.542 0.455 5.274 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -10.628 1.171 6.150 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -10.237 0.636 7.772 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -8.946 2.506 8.240 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -8.502 2.763 6.565 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -10.855 3.478 6.074 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -11.252 3.276 7.769 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -9.027 4.873 7.960 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -9.682 5.418 6.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -10.572 6.695 8.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -11.816 5.816 7.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -11.180 5.289 8.999 1.00 0.00 H new ATOM 153 N LEU A 10 -7.199 -0.578 8.036 1.00 0.00 N ATOM 154 CA LEU A 10 -5.994 -0.540 8.854 1.00 0.00 C ATOM 155 C LEU A 10 -4.773 -0.953 8.039 1.00 0.00 C ATOM 156 O LEU A 10 -3.692 -0.385 8.197 1.00 0.00 O ATOM 157 CB LEU A 10 -6.153 -1.454 10.077 1.00 0.00 C ATOM 158 CG LEU A 10 -4.847 -1.917 10.735 1.00 0.00 C ATOM 159 CD1 LEU A 10 -3.882 -0.751 10.907 1.00 0.00 C ATOM 160 CD2 LEU A 10 -5.135 -2.577 12.077 1.00 0.00 C ATOM 0 H LEU A 10 -7.830 -1.351 8.250 1.00 0.00 H new ATOM 0 HA LEU A 10 -5.845 0.484 9.197 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -6.749 -0.930 10.824 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -6.720 -2.335 9.778 1.00 0.00 H new ATOM 0 HG LEU A 10 -4.376 -2.651 10.081 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -2.964 -1.105 11.376 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -3.650 -0.324 9.931 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -4.341 0.011 11.537 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -4.199 -2.900 12.532 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -5.630 -1.863 12.735 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -5.782 -3.441 11.926 1.00 0.00 H new ATOM 172 N PHE A 11 -4.946 -1.942 7.168 1.00 0.00 N ATOM 173 CA PHE A 11 -3.844 -2.414 6.342 1.00 0.00 C ATOM 174 C PHE A 11 -3.478 -1.375 5.288 1.00 0.00 C ATOM 175 O PHE A 11 -2.305 -1.060 5.102 1.00 0.00 O ATOM 176 CB PHE A 11 -4.184 -3.779 5.716 1.00 0.00 C ATOM 177 CG PHE A 11 -4.562 -3.743 4.260 1.00 0.00 C ATOM 178 CD1 PHE A 11 -3.587 -3.673 3.279 1.00 0.00 C ATOM 179 CD2 PHE A 11 -5.893 -3.788 3.874 1.00 0.00 C ATOM 180 CE1 PHE A 11 -3.929 -3.648 1.942 1.00 0.00 C ATOM 181 CE2 PHE A 11 -6.242 -3.762 2.537 1.00 0.00 C ATOM 182 CZ PHE A 11 -5.259 -3.692 1.569 1.00 0.00 C ATOM 0 H PHE A 11 -5.830 -2.427 7.018 1.00 0.00 H new ATOM 0 HA PHE A 11 -2.967 -2.556 6.973 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -3.325 -4.439 5.835 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -5.007 -4.223 6.277 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -2.546 -3.638 3.564 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -6.666 -3.844 4.627 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -3.158 -3.594 1.188 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -7.282 -3.796 2.249 1.00 0.00 H new ATOM 0 HZ PHE A 11 -5.529 -3.672 0.524 1.00 0.00 H new ATOM 192 N VAL A 12 -4.480 -0.816 4.620 1.00 0.00 N ATOM 193 CA VAL A 12 -4.224 0.209 3.617 1.00 0.00 C ATOM 194 C VAL A 12 -3.698 1.479 4.276 1.00 0.00 C ATOM 195 O VAL A 12 -3.174 2.367 3.602 1.00 0.00 O ATOM 196 CB VAL A 12 -5.491 0.548 2.808 1.00 0.00 C ATOM 197 CG1 VAL A 12 -5.160 1.501 1.671 1.00 0.00 C ATOM 198 CG2 VAL A 12 -6.142 -0.719 2.278 1.00 0.00 C ATOM 0 H VAL A 12 -5.464 -1.051 4.752 1.00 0.00 H new ATOM 0 HA VAL A 12 -3.475 -0.192 2.934 1.00 0.00 H new ATOM 0 HB VAL A 12 -6.200 1.043 3.471 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -6.067 1.729 1.111 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -4.744 2.423 2.078 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -4.431 1.036 1.007 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -7.035 -0.459 1.710 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -5.440 -1.245 1.631 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -6.418 -1.363 3.113 1.00 0.00 H new ATOM 208 N ASP A 13 -3.834 1.558 5.598 1.00 0.00 N ATOM 209 CA ASP A 13 -3.368 2.717 6.341 1.00 0.00 C ATOM 210 C ASP A 13 -1.996 2.464 6.964 1.00 0.00 C ATOM 211 O ASP A 13 -1.493 3.298 7.716 1.00 0.00 O ATOM 212 CB ASP A 13 -4.375 3.092 7.429 1.00 0.00 C ATOM 213 CG ASP A 13 -3.992 4.365 8.158 1.00 0.00 C ATOM 214 OD1 ASP A 13 -3.370 5.246 7.526 1.00 0.00 O ATOM 215 OD2 ASP A 13 -4.312 4.481 9.360 1.00 0.00 O ATOM 0 H ASP A 13 -4.263 0.832 6.172 1.00 0.00 H new ATOM 0 HA ASP A 13 -3.274 3.546 5.639 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -5.361 3.216 6.981 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -4.452 2.275 8.146 1.00 0.00 H new ATOM 220 N LYS A 14 -1.377 1.329 6.634 1.00 0.00 N ATOM 221 CA LYS A 14 -0.059 1.019 7.158 1.00 0.00 C ATOM 222 C LYS A 14 0.936 1.004 6.021 1.00 0.00 C ATOM 223 O LYS A 14 2.086 1.414 6.183 1.00 0.00 O ATOM 224 CB LYS A 14 -0.052 -0.316 7.907 1.00 0.00 C ATOM 225 CG LYS A 14 -0.439 -1.503 7.046 1.00 0.00 C ATOM 226 CD LYS A 14 0.064 -2.809 7.636 1.00 0.00 C ATOM 227 CE LYS A 14 1.341 -3.271 6.956 1.00 0.00 C ATOM 228 NZ LYS A 14 1.059 -4.081 5.739 1.00 0.00 N ATOM 0 H LYS A 14 -1.767 0.620 6.013 1.00 0.00 H new ATOM 0 HA LYS A 14 0.223 1.789 7.877 1.00 0.00 H new ATOM 0 HB2 LYS A 14 0.943 -0.486 8.318 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -0.739 -0.252 8.751 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -1.524 -1.542 6.946 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -0.031 -1.375 6.044 1.00 0.00 H new ATOM 0 HD2 LYS A 14 0.244 -2.682 8.703 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -0.703 -3.576 7.532 1.00 0.00 H new ATOM 0 HE2 LYS A 14 1.942 -2.403 6.684 1.00 0.00 H new ATOM 0 HE3 LYS A 14 1.932 -3.861 7.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 1.745 -3.840 4.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 1.138 -5.092 5.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 0.097 -3.877 5.402 1.00 0.00 H new ATOM 242 N ILE A 15 0.479 0.573 4.852 1.00 0.00 N ATOM 243 CA ILE A 15 1.339 0.570 3.692 1.00 0.00 C ATOM 244 C ILE A 15 1.357 1.964 3.072 1.00 0.00 C ATOM 245 O ILE A 15 2.273 2.330 2.341 1.00 0.00 O ATOM 246 CB ILE A 15 0.927 -0.463 2.628 1.00 0.00 C ATOM 247 CG1 ILE A 15 -0.592 -0.466 2.436 1.00 0.00 C ATOM 248 CG2 ILE A 15 1.450 -1.843 3.006 1.00 0.00 C ATOM 249 CD1 ILE A 15 -1.240 -1.772 2.810 1.00 0.00 C ATOM 0 H ILE A 15 -0.467 0.228 4.690 1.00 0.00 H new ATOM 0 HA ILE A 15 2.333 0.284 4.036 1.00 0.00 H new ATOM 0 HB ILE A 15 1.374 -0.185 1.673 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -1.028 0.332 3.036 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -0.819 -0.242 1.394 1.00 0.00 H new ATOM 0 HG21 ILE A 15 1.152 -2.566 2.246 1.00 0.00 H new ATOM 0 HG22 ILE A 15 2.538 -1.814 3.073 1.00 0.00 H new ATOM 0 HG23 ILE A 15 1.035 -2.138 3.970 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -2.316 -1.703 2.649 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -0.831 -2.571 2.192 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -1.043 -1.988 3.860 1.00 0.00 H new ATOM 261 N ARG A 16 0.360 2.766 3.401 1.00 0.00 N ATOM 262 CA ARG A 16 0.322 4.123 2.904 1.00 0.00 C ATOM 263 C ARG A 16 1.024 5.036 3.899 1.00 0.00 C ATOM 264 O ARG A 16 1.004 6.258 3.760 1.00 0.00 O ATOM 265 CB ARG A 16 -1.118 4.583 2.672 1.00 0.00 C ATOM 266 CG ARG A 16 -1.784 3.921 1.478 1.00 0.00 C ATOM 267 CD ARG A 16 -3.089 4.610 1.113 1.00 0.00 C ATOM 268 NE ARG A 16 -3.964 3.744 0.326 1.00 0.00 N ATOM 269 CZ ARG A 16 -5.219 4.053 0.007 1.00 0.00 C ATOM 270 NH1 ARG A 16 -5.749 5.204 0.405 1.00 0.00 N ATOM 271 NH2 ARG A 16 -5.946 3.209 -0.712 1.00 0.00 N ATOM 0 H ARG A 16 -0.422 2.504 4.001 1.00 0.00 H new ATOM 0 HA ARG A 16 0.837 4.166 1.944 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -1.705 4.375 3.566 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -1.127 5.664 2.529 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -1.108 3.945 0.624 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -1.976 2.872 1.703 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -3.605 4.915 2.023 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -2.874 5.518 0.549 1.00 0.00 H new ATOM 0 HE ARG A 16 -3.592 2.851 0.002 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -5.194 5.857 0.958 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -6.711 5.435 0.157 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -5.544 2.324 -1.020 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -6.908 3.445 -0.957 1.00 0.00 H new ATOM 285 N GLU A 17 1.648 4.423 4.912 1.00 0.00 N ATOM 286 CA GLU A 17 2.357 5.169 5.935 1.00 0.00 C ATOM 287 C GLU A 17 3.861 4.890 5.888 1.00 0.00 C ATOM 288 O GLU A 17 4.655 5.613 6.490 1.00 0.00 O ATOM 289 CB GLU A 17 1.775 4.826 7.310 1.00 0.00 C ATOM 290 CG GLU A 17 2.800 4.336 8.324 1.00 0.00 C ATOM 291 CD GLU A 17 2.205 4.138 9.705 1.00 0.00 C ATOM 292 OE1 GLU A 17 1.225 3.374 9.826 1.00 0.00 O ATOM 293 OE2 GLU A 17 2.721 4.747 10.666 1.00 0.00 O ATOM 0 H GLU A 17 1.671 3.411 5.037 1.00 0.00 H new ATOM 0 HA GLU A 17 2.225 6.235 5.748 1.00 0.00 H new ATOM 0 HB2 GLU A 17 1.279 5.710 7.711 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.010 4.060 7.186 1.00 0.00 H new ATOM 0 HG2 GLU A 17 3.227 3.395 7.978 1.00 0.00 H new ATOM 0 HG3 GLU A 17 3.618 5.054 8.384 1.00 0.00 H new ATOM 300 N TYR A 18 4.245 3.859 5.154 1.00 0.00 N ATOM 301 CA TYR A 18 5.649 3.504 5.007 1.00 0.00 C ATOM 302 C TYR A 18 6.113 3.849 3.594 1.00 0.00 C ATOM 303 O TYR A 18 7.262 4.238 3.385 1.00 0.00 O ATOM 304 CB TYR A 18 5.852 2.008 5.277 1.00 0.00 C ATOM 305 CG TYR A 18 5.574 1.188 4.058 1.00 0.00 C ATOM 306 CD1 TYR A 18 4.307 1.178 3.541 1.00 0.00 C ATOM 307 CD2 TYR A 18 6.566 0.479 3.396 1.00 0.00 C ATOM 308 CE1 TYR A 18 4.004 0.494 2.406 1.00 0.00 C ATOM 309 CE2 TYR A 18 6.274 -0.229 2.246 1.00 0.00 C ATOM 310 CZ TYR A 18 4.985 -0.218 1.751 1.00 0.00 C ATOM 311 OH TYR A 18 4.683 -0.909 0.602 1.00 0.00 O ATOM 0 H TYR A 18 3.602 3.250 4.648 1.00 0.00 H new ATOM 0 HA TYR A 18 6.238 4.068 5.730 1.00 0.00 H new ATOM 0 HB2 TYR A 18 6.875 1.833 5.609 1.00 0.00 H new ATOM 0 HB3 TYR A 18 5.195 1.691 6.087 1.00 0.00 H new ATOM 0 HD1 TYR A 18 3.528 1.728 4.048 1.00 0.00 H new ATOM 0 HD2 TYR A 18 7.574 0.481 3.783 1.00 0.00 H new ATOM 0 HE1 TYR A 18 2.996 0.509 2.018 1.00 0.00 H new ATOM 0 HE2 TYR A 18 7.047 -0.786 1.739 1.00 0.00 H new ATOM 0 HH TYR A 18 5.512 -1.152 0.139 1.00 0.00 H new ATOM 321 N ARG A 19 5.198 3.725 2.628 1.00 0.00 N ATOM 322 CA ARG A 19 5.510 4.047 1.245 1.00 0.00 C ATOM 323 C ARG A 19 5.429 5.555 1.064 1.00 0.00 C ATOM 324 O ARG A 19 6.084 6.131 0.195 1.00 0.00 O ATOM 325 CB ARG A 19 4.555 3.308 0.290 1.00 0.00 C ATOM 326 CG ARG A 19 3.778 4.206 -0.666 1.00 0.00 C ATOM 327 CD ARG A 19 2.626 4.907 0.037 1.00 0.00 C ATOM 328 NE ARG A 19 2.435 6.271 -0.449 1.00 0.00 N ATOM 329 CZ ARG A 19 1.294 6.948 -0.336 1.00 0.00 C ATOM 330 NH1 ARG A 19 0.240 6.396 0.253 1.00 0.00 N ATOM 331 NH2 ARG A 19 1.207 8.183 -0.811 1.00 0.00 N ATOM 0 H ARG A 19 4.242 3.405 2.783 1.00 0.00 H new ATOM 0 HA ARG A 19 6.521 3.717 1.004 1.00 0.00 H new ATOM 0 HB2 ARG A 19 5.133 2.593 -0.296 1.00 0.00 H new ATOM 0 HB3 ARG A 19 3.844 2.734 0.884 1.00 0.00 H new ATOM 0 HG2 ARG A 19 4.450 4.949 -1.095 1.00 0.00 H new ATOM 0 HG3 ARG A 19 3.392 3.610 -1.493 1.00 0.00 H new ATOM 0 HD2 ARG A 19 1.709 4.337 -0.114 1.00 0.00 H new ATOM 0 HD3 ARG A 19 2.816 4.928 1.110 1.00 0.00 H new ATOM 0 HE ARG A 19 3.223 6.733 -0.902 1.00 0.00 H new ATOM 0 HH11 ARG A 19 0.301 5.447 0.623 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -0.631 6.921 0.336 1.00 0.00 H new ATOM 0 HH21 ARG A 19 2.014 8.614 -1.263 1.00 0.00 H new ATOM 0 HH22 ARG A 19 0.333 8.702 -0.725 1.00 0.00 H new ATOM 345 N THR A 20 4.631 6.186 1.919 1.00 0.00 N ATOM 346 CA THR A 20 4.465 7.627 1.897 1.00 0.00 C ATOM 347 C THR A 20 5.801 8.308 2.162 1.00 0.00 C ATOM 348 O THR A 20 6.124 9.328 1.553 1.00 0.00 O ATOM 349 CB THR A 20 3.451 8.028 2.963 1.00 0.00 C ATOM 350 OG1 THR A 20 3.636 9.372 3.370 1.00 0.00 O ATOM 351 CG2 THR A 20 3.542 7.154 4.185 1.00 0.00 C ATOM 0 H THR A 20 4.086 5.713 2.640 1.00 0.00 H new ATOM 0 HA THR A 20 4.104 7.939 0.917 1.00 0.00 H new ATOM 0 HB THR A 20 2.470 7.907 2.504 1.00 0.00 H new ATOM 0 HG1 THR A 20 2.971 9.602 4.053 1.00 0.00 H new ATOM 0 HG21 THR A 20 2.802 7.475 4.918 1.00 0.00 H new ATOM 0 HG22 THR A 20 3.351 6.118 3.906 1.00 0.00 H new ATOM 0 HG23 THR A 20 4.539 7.235 4.617 1.00 0.00 H new ATOM 359 N LYS A 21 6.579 7.728 3.074 1.00 0.00 N ATOM 360 CA LYS A 21 7.887 8.273 3.416 1.00 0.00 C ATOM 361 C LYS A 21 8.784 8.332 2.182 1.00 0.00 C ATOM 362 O LYS A 21 9.716 9.134 2.116 1.00 0.00 O ATOM 363 CB LYS A 21 8.543 7.423 4.504 1.00 0.00 C ATOM 364 CG LYS A 21 9.186 8.242 5.611 1.00 0.00 C ATOM 365 CD LYS A 21 8.140 8.884 6.508 1.00 0.00 C ATOM 366 CE LYS A 21 7.444 7.851 7.380 1.00 0.00 C ATOM 367 NZ LYS A 21 8.005 7.819 8.758 1.00 0.00 N ATOM 0 H LYS A 21 6.326 6.883 3.587 1.00 0.00 H new ATOM 0 HA LYS A 21 7.751 9.287 3.793 1.00 0.00 H new ATOM 0 HB2 LYS A 21 7.792 6.764 4.940 1.00 0.00 H new ATOM 0 HB3 LYS A 21 9.301 6.786 4.048 1.00 0.00 H new ATOM 0 HG2 LYS A 21 9.836 7.602 6.208 1.00 0.00 H new ATOM 0 HG3 LYS A 21 9.816 9.016 5.173 1.00 0.00 H new ATOM 0 HD2 LYS A 21 8.613 9.636 7.140 1.00 0.00 H new ATOM 0 HD3 LYS A 21 7.402 9.401 5.895 1.00 0.00 H new ATOM 0 HE2 LYS A 21 6.378 8.075 7.427 1.00 0.00 H new ATOM 0 HE3 LYS A 21 7.543 6.866 6.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 7.504 7.102 9.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 9.016 7.581 8.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 7.888 8.752 9.202 1.00 0.00 H new ATOM 381 N ARG A 22 8.492 7.477 1.204 1.00 0.00 N ATOM 382 CA ARG A 22 9.265 7.433 -0.029 1.00 0.00 C ATOM 383 C ARG A 22 9.094 8.725 -0.822 1.00 0.00 C ATOM 384 O ARG A 22 9.955 9.089 -1.623 1.00 0.00 O ATOM 385 CB ARG A 22 8.837 6.234 -0.880 1.00 0.00 C ATOM 386 CG ARG A 22 10.004 5.401 -1.386 1.00 0.00 C ATOM 387 CD ARG A 22 10.194 4.144 -0.552 1.00 0.00 C ATOM 388 NE ARG A 22 11.287 3.313 -1.056 1.00 0.00 N ATOM 389 CZ ARG A 22 11.526 2.072 -0.640 1.00 0.00 C ATOM 390 NH1 ARG A 22 10.754 1.514 0.284 1.00 0.00 N ATOM 391 NH2 ARG A 22 12.540 1.386 -1.150 1.00 0.00 N ATOM 0 H ARG A 22 7.725 6.806 1.244 1.00 0.00 H new ATOM 0 HA ARG A 22 10.318 7.326 0.232 1.00 0.00 H new ATOM 0 HB2 ARG A 22 8.176 5.598 -0.291 1.00 0.00 H new ATOM 0 HB3 ARG A 22 8.260 6.591 -1.733 1.00 0.00 H new ATOM 0 HG2 ARG A 22 9.832 5.126 -2.427 1.00 0.00 H new ATOM 0 HG3 ARG A 22 10.916 5.997 -1.361 1.00 0.00 H new ATOM 0 HD2 ARG A 22 10.397 4.422 0.482 1.00 0.00 H new ATOM 0 HD3 ARG A 22 9.270 3.566 -0.551 1.00 0.00 H new ATOM 0 HE ARG A 22 11.902 3.708 -1.768 1.00 0.00 H new ATOM 0 HH11 ARG A 22 9.972 2.037 0.679 1.00 0.00 H new ATOM 0 HH12 ARG A 22 10.942 0.562 0.599 1.00 0.00 H new ATOM 0 HH21 ARG A 22 13.136 1.810 -1.861 1.00 0.00 H new ATOM 0 HH22 ARG A 22 12.724 0.435 -0.831 1.00 0.00 H new ATOM 405 N GLN A 23 7.981 9.419 -0.592 1.00 0.00 N ATOM 406 CA GLN A 23 7.707 10.674 -1.285 1.00 0.00 C ATOM 407 C GLN A 23 8.415 11.844 -0.606 1.00 0.00 C ATOM 408 O GLN A 23 7.804 12.877 -0.329 1.00 0.00 O ATOM 409 CB GLN A 23 6.201 10.936 -1.329 1.00 0.00 C ATOM 410 CG GLN A 23 5.419 9.876 -2.089 1.00 0.00 C ATOM 411 CD GLN A 23 4.433 9.133 -1.208 1.00 0.00 C ATOM 412 OE1 GLN A 23 4.291 7.914 -1.308 1.00 0.00 O ATOM 413 NE2 GLN A 23 3.746 9.865 -0.338 1.00 0.00 N ATOM 0 H GLN A 23 7.257 9.134 0.067 1.00 0.00 H new ATOM 0 HA GLN A 23 8.088 10.585 -2.302 1.00 0.00 H new ATOM 0 HB2 GLN A 23 5.821 10.994 -0.309 1.00 0.00 H new ATOM 0 HB3 GLN A 23 6.023 11.907 -1.791 1.00 0.00 H new ATOM 0 HG2 GLN A 23 4.881 10.347 -2.912 1.00 0.00 H new ATOM 0 HG3 GLN A 23 6.115 9.163 -2.530 1.00 0.00 H new ATOM 0 HE21 GLN A 23 3.896 10.873 -0.289 1.00 0.00 H new ATOM 0 HE22 GLN A 23 3.069 9.419 0.281 1.00 0.00 H new ATOM 422 N THR A 24 9.709 11.680 -0.341 1.00 0.00 N ATOM 423 CA THR A 24 10.494 12.726 0.302 1.00 0.00 C ATOM 424 C THR A 24 11.053 13.698 -0.731 1.00 0.00 C ATOM 425 O THR A 24 11.230 14.884 -0.452 1.00 0.00 O ATOM 426 CB THR A 24 11.637 12.110 1.110 1.00 0.00 C ATOM 427 OG1 THR A 24 12.134 10.948 0.470 1.00 0.00 O ATOM 428 CG2 THR A 24 11.236 11.722 2.517 1.00 0.00 C ATOM 0 H THR A 24 10.234 10.834 -0.562 1.00 0.00 H new ATOM 0 HA THR A 24 9.838 13.277 0.976 1.00 0.00 H new ATOM 0 HB THR A 24 12.400 12.887 1.168 1.00 0.00 H new ATOM 0 HG1 THR A 24 12.181 11.102 -0.497 1.00 0.00 H new ATOM 0 HG21 THR A 24 12.094 11.292 3.034 1.00 0.00 H new ATOM 0 HG22 THR A 24 10.894 12.606 3.055 1.00 0.00 H new ATOM 0 HG23 THR A 24 10.431 10.988 2.477 1.00 0.00 H new ATOM 436 N SER A 25 11.329 13.187 -1.928 1.00 0.00 N ATOM 437 CA SER A 25 11.867 14.010 -3.005 1.00 0.00 C ATOM 438 C SER A 25 10.846 14.171 -4.127 1.00 0.00 C ATOM 439 O SER A 25 9.675 13.826 -3.969 1.00 0.00 O ATOM 440 CB SER A 25 13.153 13.390 -3.555 1.00 0.00 C ATOM 441 OG SER A 25 12.869 12.270 -4.376 1.00 0.00 O ATOM 0 H SER A 25 11.189 12.207 -2.176 1.00 0.00 H new ATOM 0 HA SER A 25 12.092 14.996 -2.598 1.00 0.00 H new ATOM 0 HB2 SER A 25 13.703 14.136 -4.129 1.00 0.00 H new ATOM 0 HB3 SER A 25 13.796 13.086 -2.729 1.00 0.00 H new ATOM 0 HG SER A 25 13.707 11.893 -4.716 1.00 0.00 H new ATOM 447 N GLY A 26 11.297 14.698 -5.260 1.00 0.00 N ATOM 448 CA GLY A 26 10.409 14.896 -6.391 1.00 0.00 C ATOM 449 C GLY A 26 10.052 13.595 -7.084 1.00 0.00 C ATOM 450 O GLY A 26 8.989 13.482 -7.695 1.00 0.00 O ATOM 0 H GLY A 26 12.261 14.992 -5.416 1.00 0.00 H new ATOM 0 HA2 GLY A 26 9.496 15.385 -6.051 1.00 0.00 H new ATOM 0 HA3 GLY A 26 10.882 15.567 -7.107 1.00 0.00 H new ATOM 454 N GLY A 27 10.941 12.611 -6.989 1.00 0.00 N ATOM 455 CA GLY A 27 10.695 11.326 -7.617 1.00 0.00 C ATOM 456 C GLY A 27 10.304 10.256 -6.616 1.00 0.00 C ATOM 457 O GLY A 27 11.171 9.593 -6.045 1.00 0.00 O ATOM 0 H GLY A 27 11.827 12.681 -6.488 1.00 0.00 H new ATOM 0 HA2 GLY A 27 9.903 11.433 -8.358 1.00 0.00 H new ATOM 0 HA3 GLY A 27 11.590 11.009 -8.152 1.00 0.00 H new ATOM 461 N PRO A 28 8.996 10.058 -6.379 1.00 0.00 N ATOM 462 CA PRO A 28 8.509 9.050 -5.431 1.00 0.00 C ATOM 463 C PRO A 28 8.776 7.628 -5.912 1.00 0.00 C ATOM 464 O PRO A 28 9.286 6.795 -5.163 1.00 0.00 O ATOM 465 CB PRO A 28 7.003 9.318 -5.363 1.00 0.00 C ATOM 466 CG PRO A 28 6.676 9.996 -6.649 1.00 0.00 C ATOM 467 CD PRO A 28 7.892 10.802 -7.013 1.00 0.00 C ATOM 0 HA PRO A 28 9.010 9.124 -4.466 1.00 0.00 H new ATOM 0 HB2 PRO A 28 6.441 8.391 -5.251 1.00 0.00 H new ATOM 0 HB3 PRO A 28 6.752 9.948 -4.509 1.00 0.00 H new ATOM 0 HG2 PRO A 28 6.444 9.268 -7.426 1.00 0.00 H new ATOM 0 HG3 PRO A 28 5.801 10.637 -6.541 1.00 0.00 H new ATOM 0 HD2 PRO A 28 8.021 10.870 -8.093 1.00 0.00 H new ATOM 0 HD3 PRO A 28 7.826 11.822 -6.635 1.00 0.00 H new ATOM 475 N VAL A 29 8.430 7.357 -7.166 1.00 0.00 N ATOM 476 CA VAL A 29 8.635 6.035 -7.747 1.00 0.00 C ATOM 477 C VAL A 29 8.851 6.125 -9.253 1.00 0.00 C ATOM 478 O VAL A 29 8.455 5.233 -10.003 1.00 0.00 O ATOM 479 CB VAL A 29 7.440 5.103 -7.465 1.00 0.00 C ATOM 480 CG1 VAL A 29 7.338 4.800 -5.978 1.00 0.00 C ATOM 481 CG2 VAL A 29 6.148 5.718 -7.980 1.00 0.00 C ATOM 0 H VAL A 29 8.006 8.035 -7.799 1.00 0.00 H new ATOM 0 HA VAL A 29 9.527 5.619 -7.278 1.00 0.00 H new ATOM 0 HB VAL A 29 7.604 4.164 -7.994 1.00 0.00 H new ATOM 0 HG11 VAL A 29 6.489 4.141 -5.798 1.00 0.00 H new ATOM 0 HG12 VAL A 29 8.253 4.312 -5.642 1.00 0.00 H new ATOM 0 HG13 VAL A 29 7.199 5.730 -5.426 1.00 0.00 H new ATOM 0 HG21 VAL A 29 5.316 5.045 -7.771 1.00 0.00 H new ATOM 0 HG22 VAL A 29 5.976 6.673 -7.483 1.00 0.00 H new ATOM 0 HG23 VAL A 29 6.225 5.878 -9.056 1.00 0.00 H new ATOM 491 N ASP A 30 9.485 7.209 -9.692 1.00 0.00 N ATOM 492 CA ASP A 30 9.755 7.417 -11.110 1.00 0.00 C ATOM 493 C ASP A 30 8.459 7.411 -11.916 1.00 0.00 C ATOM 494 O ASP A 30 8.325 6.674 -12.893 1.00 0.00 O ATOM 495 CB ASP A 30 10.703 6.336 -11.632 1.00 0.00 C ATOM 496 CG ASP A 30 11.099 6.565 -13.078 1.00 0.00 C ATOM 497 OD1 ASP A 30 11.537 7.688 -13.404 1.00 0.00 O ATOM 498 OD2 ASP A 30 10.972 5.620 -13.885 1.00 0.00 O ATOM 0 H ASP A 30 9.821 7.957 -9.085 1.00 0.00 H new ATOM 0 HA ASP A 30 10.229 8.392 -11.228 1.00 0.00 H new ATOM 0 HB2 ASP A 30 11.599 6.312 -11.012 1.00 0.00 H new ATOM 0 HB3 ASP A 30 10.225 5.361 -11.539 1.00 0.00 H new ATOM 503 N ALA A 31 7.506 8.237 -11.499 1.00 0.00 N ATOM 504 CA ALA A 31 6.220 8.326 -12.179 1.00 0.00 C ATOM 505 C ALA A 31 5.682 9.753 -12.156 1.00 0.00 C ATOM 506 O ALA A 31 5.234 10.275 -13.177 1.00 0.00 O ATOM 507 CB ALA A 31 5.221 7.371 -11.541 1.00 0.00 C ATOM 0 H ALA A 31 7.600 8.855 -10.693 1.00 0.00 H new ATOM 0 HA ALA A 31 6.366 8.040 -13.221 1.00 0.00 H new ATOM 0 HB1 ALA A 31 4.264 7.447 -12.058 1.00 0.00 H new ATOM 0 HB2 ALA A 31 5.594 6.350 -11.617 1.00 0.00 H new ATOM 0 HB3 ALA A 31 5.088 7.632 -10.491 1.00 0.00 H new ATOM 513 N GLY A 32 5.728 10.379 -10.984 1.00 0.00 N ATOM 514 CA GLY A 32 5.241 11.739 -10.848 1.00 0.00 C ATOM 515 C GLY A 32 4.168 11.866 -9.782 1.00 0.00 C ATOM 516 O GLY A 32 3.447 10.907 -9.511 1.00 0.00 O ATOM 0 H GLY A 32 6.094 9.968 -10.125 1.00 0.00 H new ATOM 0 HA2 GLY A 32 6.074 12.397 -10.601 1.00 0.00 H new ATOM 0 HA3 GLY A 32 4.841 12.076 -11.804 1.00 0.00 H new ATOM 520 N PRO A 33 4.038 13.047 -9.154 1.00 0.00 N ATOM 521 CA PRO A 33 3.037 13.278 -8.109 1.00 0.00 C ATOM 522 C PRO A 33 1.620 13.344 -8.664 1.00 0.00 C ATOM 523 O PRO A 33 0.941 14.364 -8.550 1.00 0.00 O ATOM 524 CB PRO A 33 3.448 14.628 -7.517 1.00 0.00 C ATOM 525 CG PRO A 33 4.160 15.323 -8.625 1.00 0.00 C ATOM 526 CD PRO A 33 4.857 14.247 -9.413 1.00 0.00 C ATOM 0 HA PRO A 33 3.014 12.468 -7.380 1.00 0.00 H new ATOM 0 HB2 PRO A 33 2.579 15.197 -7.186 1.00 0.00 H new ATOM 0 HB3 PRO A 33 4.095 14.500 -6.649 1.00 0.00 H new ATOM 0 HG2 PRO A 33 3.460 15.874 -9.253 1.00 0.00 H new ATOM 0 HG3 PRO A 33 4.876 16.046 -8.235 1.00 0.00 H new ATOM 0 HD2 PRO A 33 4.893 14.487 -10.476 1.00 0.00 H new ATOM 0 HD3 PRO A 33 5.886 14.110 -9.082 1.00 0.00 H new ATOM 534 N GLU A 34 1.176 12.240 -9.251 1.00 0.00 N ATOM 535 CA GLU A 34 -0.163 12.156 -9.811 1.00 0.00 C ATOM 536 C GLU A 34 -0.427 10.758 -10.349 1.00 0.00 C ATOM 537 O GLU A 34 -0.410 10.521 -11.557 1.00 0.00 O ATOM 538 CB GLU A 34 -0.360 13.200 -10.911 1.00 0.00 C ATOM 539 CG GLU A 34 -1.751 13.811 -10.928 1.00 0.00 C ATOM 540 CD GLU A 34 -1.881 14.939 -11.933 1.00 0.00 C ATOM 541 OE1 GLU A 34 -1.592 14.707 -13.126 1.00 0.00 O ATOM 542 OE2 GLU A 34 -2.272 16.054 -11.528 1.00 0.00 O ATOM 0 H GLU A 34 1.728 11.388 -9.351 1.00 0.00 H new ATOM 0 HA GLU A 34 -0.879 12.363 -9.015 1.00 0.00 H new ATOM 0 HB2 GLU A 34 0.375 13.994 -10.782 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -0.163 12.738 -11.878 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -2.481 13.036 -11.161 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -1.991 14.186 -9.933 1.00 0.00 H new ATOM 549 N TYR A 35 -0.641 9.836 -9.426 1.00 0.00 N ATOM 550 CA TYR A 35 -0.882 8.437 -9.756 1.00 0.00 C ATOM 551 C TYR A 35 -1.156 7.644 -8.478 1.00 0.00 C ATOM 552 O TYR A 35 -0.812 6.468 -8.386 1.00 0.00 O ATOM 553 CB TYR A 35 0.356 7.864 -10.434 1.00 0.00 C ATOM 554 CG TYR A 35 1.475 7.717 -9.447 1.00 0.00 C ATOM 555 CD1 TYR A 35 1.890 8.809 -8.710 1.00 0.00 C ATOM 556 CD2 TYR A 35 2.073 6.494 -9.208 1.00 0.00 C ATOM 557 CE1 TYR A 35 2.871 8.702 -7.764 1.00 0.00 C ATOM 558 CE2 TYR A 35 3.066 6.368 -8.263 1.00 0.00 C ATOM 559 CZ TYR A 35 3.465 7.477 -7.537 1.00 0.00 C ATOM 560 OH TYR A 35 4.451 7.358 -6.587 1.00 0.00 O ATOM 0 H TYR A 35 -0.653 10.034 -8.425 1.00 0.00 H new ATOM 0 HA TYR A 35 -1.743 8.367 -10.421 1.00 0.00 H new ATOM 0 HB2 TYR A 35 0.121 6.895 -10.873 1.00 0.00 H new ATOM 0 HB3 TYR A 35 0.666 8.517 -11.250 1.00 0.00 H new ATOM 0 HD1 TYR A 35 1.429 9.770 -8.885 1.00 0.00 H new ATOM 0 HD2 TYR A 35 1.757 5.627 -9.769 1.00 0.00 H new ATOM 0 HE1 TYR A 35 3.179 9.569 -7.199 1.00 0.00 H new ATOM 0 HE2 TYR A 35 3.531 5.409 -8.089 1.00 0.00 H new ATOM 0 HH TYR A 35 4.300 8.014 -5.875 1.00 0.00 H new ATOM 570 N GLN A 36 -1.758 8.299 -7.488 1.00 0.00 N ATOM 571 CA GLN A 36 -2.064 7.659 -6.207 1.00 0.00 C ATOM 572 C GLN A 36 -2.737 6.300 -6.396 1.00 0.00 C ATOM 573 O GLN A 36 -2.816 5.503 -5.461 1.00 0.00 O ATOM 574 CB GLN A 36 -2.962 8.569 -5.366 1.00 0.00 C ATOM 575 CG GLN A 36 -2.224 9.741 -4.739 1.00 0.00 C ATOM 576 CD GLN A 36 -1.483 9.352 -3.476 1.00 0.00 C ATOM 577 OE1 GLN A 36 -1.193 8.178 -3.247 1.00 0.00 O ATOM 578 NE2 GLN A 36 -1.169 10.341 -2.645 1.00 0.00 N ATOM 0 H GLN A 36 -2.045 9.276 -7.547 1.00 0.00 H new ATOM 0 HA GLN A 36 -1.119 7.495 -5.689 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -3.767 8.951 -5.993 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -3.426 7.978 -4.576 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -1.516 10.148 -5.461 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -2.936 10.533 -4.509 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -1.428 11.301 -2.873 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -0.669 10.140 -1.779 1.00 0.00 H new ATOM 587 N GLN A 37 -3.216 6.039 -7.606 1.00 0.00 N ATOM 588 CA GLN A 37 -3.876 4.775 -7.912 1.00 0.00 C ATOM 589 C GLN A 37 -2.868 3.743 -8.413 1.00 0.00 C ATOM 590 O GLN A 37 -3.091 2.538 -8.298 1.00 0.00 O ATOM 591 CB GLN A 37 -4.972 4.985 -8.958 1.00 0.00 C ATOM 592 CG GLN A 37 -6.194 5.711 -8.420 1.00 0.00 C ATOM 593 CD GLN A 37 -6.756 6.717 -9.406 1.00 0.00 C ATOM 594 OE1 GLN A 37 -6.922 6.418 -10.588 1.00 0.00 O ATOM 595 NE2 GLN A 37 -7.052 7.918 -8.921 1.00 0.00 N ATOM 0 H GLN A 37 -3.160 6.686 -8.392 1.00 0.00 H new ATOM 0 HA GLN A 37 -4.329 4.400 -6.994 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -4.562 5.552 -9.794 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -5.279 4.016 -9.350 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -6.965 4.982 -8.171 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -5.930 6.223 -7.495 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -6.898 8.121 -7.933 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -7.434 8.637 -9.536 1.00 0.00 H new ATOM 604 N ASP A 38 -1.755 4.225 -8.956 1.00 0.00 N ATOM 605 CA ASP A 38 -0.709 3.350 -9.460 1.00 0.00 C ATOM 606 C ASP A 38 0.293 3.027 -8.353 1.00 0.00 C ATOM 607 O ASP A 38 1.043 2.056 -8.441 1.00 0.00 O ATOM 608 CB ASP A 38 0.000 4.012 -10.645 1.00 0.00 C ATOM 609 CG ASP A 38 -0.332 3.342 -11.964 1.00 0.00 C ATOM 610 OD1 ASP A 38 -1.370 3.692 -12.562 1.00 0.00 O ATOM 611 OD2 ASP A 38 0.448 2.468 -12.398 1.00 0.00 O ATOM 0 H ASP A 38 -1.556 5.220 -9.057 1.00 0.00 H new ATOM 0 HA ASP A 38 -1.162 2.418 -9.797 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -0.283 5.063 -10.693 1.00 0.00 H new ATOM 0 HB3 ASP A 38 1.078 3.979 -10.485 1.00 0.00 H new ATOM 616 N LEU A 39 0.289 3.851 -7.307 1.00 0.00 N ATOM 617 CA LEU A 39 1.183 3.663 -6.173 1.00 0.00 C ATOM 618 C LEU A 39 0.577 2.685 -5.172 1.00 0.00 C ATOM 619 O LEU A 39 1.295 1.951 -4.493 1.00 0.00 O ATOM 620 CB LEU A 39 1.454 5.009 -5.496 1.00 0.00 C ATOM 621 CG LEU A 39 2.223 4.944 -4.175 1.00 0.00 C ATOM 622 CD1 LEU A 39 3.722 4.976 -4.427 1.00 0.00 C ATOM 623 CD2 LEU A 39 1.807 6.091 -3.264 1.00 0.00 C ATOM 0 H LEU A 39 -0.328 4.659 -7.224 1.00 0.00 H new ATOM 0 HA LEU A 39 2.124 3.249 -6.534 1.00 0.00 H new ATOM 0 HB2 LEU A 39 2.012 5.638 -6.190 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.499 5.503 -5.316 1.00 0.00 H new ATOM 0 HG LEU A 39 1.981 4.004 -3.679 1.00 0.00 H new ATOM 0 HD11 LEU A 39 4.252 4.929 -3.476 1.00 0.00 H new ATOM 0 HD12 LEU A 39 4.006 4.123 -5.043 1.00 0.00 H new ATOM 0 HD13 LEU A 39 3.985 5.899 -4.943 1.00 0.00 H new ATOM 0 HD21 LEU A 39 2.362 6.032 -2.328 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.021 7.041 -3.754 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.739 6.022 -3.057 1.00 0.00 H new ATOM 635 N ASP A 40 -0.750 2.680 -5.088 1.00 0.00 N ATOM 636 CA ASP A 40 -1.454 1.793 -4.170 1.00 0.00 C ATOM 637 C ASP A 40 -1.501 0.369 -4.714 1.00 0.00 C ATOM 638 O ASP A 40 -1.572 -0.594 -3.951 1.00 0.00 O ATOM 639 CB ASP A 40 -2.874 2.305 -3.920 1.00 0.00 C ATOM 640 CG ASP A 40 -3.618 1.471 -2.895 1.00 0.00 C ATOM 641 OD1 ASP A 40 -4.284 0.493 -3.296 1.00 0.00 O ATOM 642 OD2 ASP A 40 -3.533 1.796 -1.692 1.00 0.00 O ATOM 0 H ASP A 40 -1.359 3.280 -5.645 1.00 0.00 H new ATOM 0 HA ASP A 40 -0.908 1.782 -3.226 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -2.829 3.339 -3.579 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -3.429 2.302 -4.858 1.00 0.00 H new ATOM 647 N ARG A 41 -1.461 0.240 -6.036 1.00 0.00 N ATOM 648 CA ARG A 41 -1.495 -1.070 -6.675 1.00 0.00 C ATOM 649 C ARG A 41 -0.139 -1.759 -6.563 1.00 0.00 C ATOM 650 O ARG A 41 -0.056 -2.986 -6.511 1.00 0.00 O ATOM 651 CB ARG A 41 -1.895 -0.934 -8.147 1.00 0.00 C ATOM 652 CG ARG A 41 -0.863 -0.209 -8.996 1.00 0.00 C ATOM 653 CD ARG A 41 -1.225 -0.255 -10.471 1.00 0.00 C ATOM 654 NE ARG A 41 -1.403 -1.624 -10.949 1.00 0.00 N ATOM 655 CZ ARG A 41 -0.403 -2.481 -11.138 1.00 0.00 C ATOM 656 NH1 ARG A 41 0.849 -2.113 -10.890 1.00 0.00 N ATOM 657 NH2 ARG A 41 -0.652 -3.707 -11.575 1.00 0.00 N ATOM 0 H ARG A 41 -1.405 1.025 -6.685 1.00 0.00 H new ATOM 0 HA ARG A 41 -2.238 -1.681 -6.162 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -2.061 -1.928 -8.563 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -2.843 -0.400 -8.209 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -0.787 0.829 -8.671 1.00 0.00 H new ATOM 0 HG3 ARG A 41 0.117 -0.663 -8.846 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -2.143 0.309 -10.637 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -0.442 0.233 -11.052 1.00 0.00 H new ATOM 0 HE ARG A 41 -2.351 -1.942 -11.150 1.00 0.00 H new ATOM 0 HH11 ARG A 41 1.046 -1.171 -10.553 1.00 0.00 H new ATOM 0 HH12 ARG A 41 1.613 -2.773 -11.036 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -1.611 -3.995 -11.767 1.00 0.00 H new ATOM 0 HH22 ARG A 41 0.116 -4.363 -11.719 1.00 0.00 H new ATOM 671 N GLU A 42 0.923 -0.959 -6.523 1.00 0.00 N ATOM 672 CA GLU A 42 2.276 -1.491 -6.413 1.00 0.00 C ATOM 673 C GLU A 42 2.568 -1.930 -4.983 1.00 0.00 C ATOM 674 O GLU A 42 3.115 -3.010 -4.755 1.00 0.00 O ATOM 675 CB GLU A 42 3.297 -0.444 -6.860 1.00 0.00 C ATOM 676 CG GLU A 42 4.715 -0.983 -6.964 1.00 0.00 C ATOM 677 CD GLU A 42 5.648 -0.035 -7.690 1.00 0.00 C ATOM 678 OE1 GLU A 42 5.327 1.171 -7.766 1.00 0.00 O ATOM 679 OE2 GLU A 42 6.699 -0.496 -8.182 1.00 0.00 O ATOM 0 H GLU A 42 0.872 0.059 -6.565 1.00 0.00 H new ATOM 0 HA GLU A 42 2.355 -2.361 -7.065 1.00 0.00 H new ATOM 0 HB2 GLU A 42 2.996 -0.046 -7.829 1.00 0.00 H new ATOM 0 HB3 GLU A 42 3.284 0.388 -6.156 1.00 0.00 H new ATOM 0 HG2 GLU A 42 5.102 -1.172 -5.963 1.00 0.00 H new ATOM 0 HG3 GLU A 42 4.698 -1.940 -7.485 1.00 0.00 H new ATOM 686 N LEU A 43 2.199 -1.090 -4.021 1.00 0.00 N ATOM 687 CA LEU A 43 2.420 -1.400 -2.614 1.00 0.00 C ATOM 688 C LEU A 43 1.400 -2.427 -2.122 1.00 0.00 C ATOM 689 O LEU A 43 1.578 -3.037 -1.069 1.00 0.00 O ATOM 690 CB LEU A 43 2.373 -0.113 -1.774 1.00 0.00 C ATOM 691 CG LEU A 43 1.146 0.068 -0.871 1.00 0.00 C ATOM 692 CD1 LEU A 43 1.240 1.380 -0.105 1.00 0.00 C ATOM 693 CD2 LEU A 43 -0.137 0.019 -1.689 1.00 0.00 C ATOM 0 H LEU A 43 1.747 -0.192 -4.190 1.00 0.00 H new ATOM 0 HA LEU A 43 3.410 -1.841 -2.501 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.265 -0.080 -1.149 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.427 0.739 -2.451 1.00 0.00 H new ATOM 0 HG LEU A 43 1.124 -0.752 -0.153 1.00 0.00 H new ATOM 0 HD11 LEU A 43 0.362 1.494 0.531 1.00 0.00 H new ATOM 0 HD12 LEU A 43 2.138 1.377 0.513 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.287 2.210 -0.810 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.995 0.149 -1.029 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.126 0.817 -2.431 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.210 -0.945 -2.193 1.00 0.00 H new ATOM 705 N PHE A 44 0.340 -2.624 -2.899 1.00 0.00 N ATOM 706 CA PHE A 44 -0.690 -3.591 -2.550 1.00 0.00 C ATOM 707 C PHE A 44 -0.284 -4.980 -3.039 1.00 0.00 C ATOM 708 O PHE A 44 -0.746 -5.993 -2.517 1.00 0.00 O ATOM 709 CB PHE A 44 -2.033 -3.175 -3.161 1.00 0.00 C ATOM 710 CG PHE A 44 -3.030 -4.295 -3.284 1.00 0.00 C ATOM 711 CD1 PHE A 44 -3.626 -4.839 -2.158 1.00 0.00 C ATOM 712 CD2 PHE A 44 -3.369 -4.800 -4.528 1.00 0.00 C ATOM 713 CE1 PHE A 44 -4.543 -5.867 -2.272 1.00 0.00 C ATOM 714 CE2 PHE A 44 -4.283 -5.827 -4.649 1.00 0.00 C ATOM 715 CZ PHE A 44 -4.872 -6.362 -3.519 1.00 0.00 C ATOM 0 H PHE A 44 0.173 -2.126 -3.774 1.00 0.00 H new ATOM 0 HA PHE A 44 -0.800 -3.621 -1.466 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -2.467 -2.383 -2.551 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -1.854 -2.753 -4.150 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -3.372 -4.456 -1.181 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -2.913 -4.385 -5.414 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -5.002 -6.283 -1.387 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -4.538 -6.212 -5.625 1.00 0.00 H new ATOM 0 HZ PHE A 44 -5.588 -7.165 -3.611 1.00 0.00 H new ATOM 725 N LYS A 45 0.591 -5.013 -4.041 1.00 0.00 N ATOM 726 CA LYS A 45 1.066 -6.270 -4.598 1.00 0.00 C ATOM 727 C LYS A 45 1.966 -6.998 -3.607 1.00 0.00 C ATOM 728 O LYS A 45 2.030 -8.227 -3.604 1.00 0.00 O ATOM 729 CB LYS A 45 1.819 -6.021 -5.907 1.00 0.00 C ATOM 730 CG LYS A 45 1.469 -7.009 -7.007 1.00 0.00 C ATOM 731 CD LYS A 45 2.473 -6.953 -8.147 1.00 0.00 C ATOM 732 CE LYS A 45 2.424 -5.614 -8.866 1.00 0.00 C ATOM 733 NZ LYS A 45 3.695 -5.324 -9.586 1.00 0.00 N ATOM 0 H LYS A 45 0.984 -4.181 -4.482 1.00 0.00 H new ATOM 0 HA LYS A 45 0.200 -6.899 -4.802 1.00 0.00 H new ATOM 0 HB2 LYS A 45 1.602 -5.011 -6.255 1.00 0.00 H new ATOM 0 HB3 LYS A 45 2.891 -6.069 -5.715 1.00 0.00 H new ATOM 0 HG2 LYS A 45 1.440 -8.018 -6.595 1.00 0.00 H new ATOM 0 HG3 LYS A 45 0.471 -6.792 -7.389 1.00 0.00 H new ATOM 0 HD2 LYS A 45 3.477 -7.122 -7.758 1.00 0.00 H new ATOM 0 HD3 LYS A 45 2.266 -7.755 -8.855 1.00 0.00 H new ATOM 0 HE2 LYS A 45 1.596 -5.613 -9.575 1.00 0.00 H new ATOM 0 HE3 LYS A 45 2.226 -4.821 -8.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 3.621 -4.403 -10.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 4.481 -5.300 -8.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 3.871 -6.067 -10.293 1.00 0.00 H new ATOM 747 N LEU A 46 2.661 -6.237 -2.761 1.00 0.00 N ATOM 748 CA LEU A 46 3.550 -6.826 -1.771 1.00 0.00 C ATOM 749 C LEU A 46 2.766 -7.709 -0.810 1.00 0.00 C ATOM 750 O LEU A 46 3.201 -8.808 -0.467 1.00 0.00 O ATOM 751 CB LEU A 46 4.306 -5.735 -1.003 1.00 0.00 C ATOM 752 CG LEU A 46 3.469 -4.919 -0.015 1.00 0.00 C ATOM 753 CD1 LEU A 46 3.487 -5.559 1.365 1.00 0.00 C ATOM 754 CD2 LEU A 46 3.984 -3.489 0.058 1.00 0.00 C ATOM 0 H LEU A 46 2.623 -5.218 -2.744 1.00 0.00 H new ATOM 0 HA LEU A 46 4.280 -7.445 -2.292 1.00 0.00 H new ATOM 0 HB2 LEU A 46 5.126 -6.202 -0.457 1.00 0.00 H new ATOM 0 HB3 LEU A 46 4.752 -5.051 -1.725 1.00 0.00 H new ATOM 0 HG LEU A 46 2.439 -4.903 -0.371 1.00 0.00 H new ATOM 0 HD11 LEU A 46 2.886 -4.962 2.051 1.00 0.00 H new ATOM 0 HD12 LEU A 46 3.075 -6.566 1.304 1.00 0.00 H new ATOM 0 HD13 LEU A 46 4.513 -5.608 1.730 1.00 0.00 H new ATOM 0 HD21 LEU A 46 3.379 -2.920 0.764 1.00 0.00 H new ATOM 0 HD22 LEU A 46 5.022 -3.493 0.390 1.00 0.00 H new ATOM 0 HD23 LEU A 46 3.920 -3.028 -0.928 1.00 0.00 H new ATOM 766 N LYS A 47 1.601 -7.228 -0.385 1.00 0.00 N ATOM 767 CA LYS A 47 0.758 -7.981 0.533 1.00 0.00 C ATOM 768 C LYS A 47 0.387 -9.334 -0.064 1.00 0.00 C ATOM 769 O LYS A 47 0.230 -10.320 0.655 1.00 0.00 O ATOM 770 CB LYS A 47 -0.507 -7.187 0.864 1.00 0.00 C ATOM 771 CG LYS A 47 -1.457 -7.914 1.805 1.00 0.00 C ATOM 772 CD LYS A 47 -2.864 -7.990 1.233 1.00 0.00 C ATOM 773 CE LYS A 47 -3.434 -6.605 0.969 1.00 0.00 C ATOM 774 NZ LYS A 47 -4.891 -6.537 1.270 1.00 0.00 N ATOM 0 H LYS A 47 1.222 -6.323 -0.662 1.00 0.00 H new ATOM 0 HA LYS A 47 1.319 -8.151 1.452 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -0.221 -6.236 1.314 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -1.033 -6.956 -0.062 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -1.085 -8.921 1.992 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -1.482 -7.400 2.766 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -2.850 -8.562 0.305 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -3.512 -8.525 1.927 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -2.903 -5.872 1.577 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -3.266 -6.336 -0.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -5.174 -5.544 1.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -5.428 -6.956 0.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -5.090 -7.064 2.145 1.00 0.00 H new ATOM 788 N GLN A 48 0.256 -9.372 -1.386 1.00 0.00 N ATOM 789 CA GLN A 48 -0.088 -10.605 -2.083 1.00 0.00 C ATOM 790 C GLN A 48 1.086 -11.578 -2.062 1.00 0.00 C ATOM 791 O GLN A 48 0.898 -12.794 -2.031 1.00 0.00 O ATOM 792 CB GLN A 48 -0.499 -10.303 -3.527 1.00 0.00 C ATOM 793 CG GLN A 48 -2.005 -10.219 -3.731 1.00 0.00 C ATOM 794 CD GLN A 48 -2.690 -9.347 -2.697 1.00 0.00 C ATOM 795 OE1 GLN A 48 -3.745 -9.701 -2.169 1.00 0.00 O ATOM 796 NE2 GLN A 48 -2.095 -8.197 -2.404 1.00 0.00 N ATOM 0 H GLN A 48 0.383 -8.564 -1.995 1.00 0.00 H new ATOM 0 HA GLN A 48 -0.930 -11.068 -1.568 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -0.047 -9.360 -3.834 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -0.096 -11.077 -4.179 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -2.211 -9.825 -4.726 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -2.429 -11.222 -3.692 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -1.222 -7.943 -2.865 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -2.511 -7.568 -1.718 1.00 0.00 H new ATOM 805 N MET A 49 2.298 -11.032 -2.065 1.00 0.00 N ATOM 806 CA MET A 49 3.504 -11.852 -2.031 1.00 0.00 C ATOM 807 C MET A 49 3.816 -12.256 -0.597 1.00 0.00 C ATOM 808 O MET A 49 4.325 -13.347 -0.341 1.00 0.00 O ATOM 809 CB MET A 49 4.704 -11.107 -2.635 1.00 0.00 C ATOM 810 CG MET A 49 4.326 -9.943 -3.540 1.00 0.00 C ATOM 811 SD MET A 49 5.741 -9.266 -4.431 1.00 0.00 S ATOM 812 CE MET A 49 5.269 -7.541 -4.562 1.00 0.00 C ATOM 0 H MET A 49 2.471 -10.027 -2.091 1.00 0.00 H new ATOM 0 HA MET A 49 3.322 -12.744 -2.631 1.00 0.00 H new ATOM 0 HB2 MET A 49 5.331 -10.734 -1.825 1.00 0.00 H new ATOM 0 HB3 MET A 49 5.307 -11.814 -3.205 1.00 0.00 H new ATOM 0 HG2 MET A 49 3.575 -10.275 -4.257 1.00 0.00 H new ATOM 0 HG3 MET A 49 3.869 -9.156 -2.941 1.00 0.00 H new ATOM 0 HE1 MET A 49 5.710 -7.110 -5.461 1.00 0.00 H new ATOM 0 HE2 MET A 49 4.183 -7.464 -4.618 1.00 0.00 H new ATOM 0 HE3 MET A 49 5.627 -6.998 -3.687 1.00 0.00 H new ATOM 822 N TYR A 50 3.498 -11.364 0.337 1.00 0.00 N ATOM 823 CA TYR A 50 3.731 -11.617 1.752 1.00 0.00 C ATOM 824 C TYR A 50 2.691 -12.585 2.304 1.00 0.00 C ATOM 825 O TYR A 50 2.972 -13.358 3.220 1.00 0.00 O ATOM 826 CB TYR A 50 3.689 -10.303 2.536 1.00 0.00 C ATOM 827 CG TYR A 50 4.968 -9.503 2.449 1.00 0.00 C ATOM 828 CD1 TYR A 50 6.121 -9.932 3.096 1.00 0.00 C ATOM 829 CD2 TYR A 50 5.027 -8.320 1.722 1.00 0.00 C ATOM 830 CE1 TYR A 50 7.294 -9.206 3.021 1.00 0.00 C ATOM 831 CE2 TYR A 50 6.195 -7.589 1.642 1.00 0.00 C ATOM 832 CZ TYR A 50 7.325 -8.035 2.294 1.00 0.00 C ATOM 833 OH TYR A 50 8.492 -7.309 2.216 1.00 0.00 O ATOM 0 H TYR A 50 3.077 -10.457 0.136 1.00 0.00 H new ATOM 0 HA TYR A 50 4.717 -12.067 1.862 1.00 0.00 H new ATOM 0 HB2 TYR A 50 2.864 -9.695 2.165 1.00 0.00 H new ATOM 0 HB3 TYR A 50 3.478 -10.521 3.583 1.00 0.00 H new ATOM 0 HD1 TYR A 50 6.100 -10.848 3.667 1.00 0.00 H new ATOM 0 HD2 TYR A 50 4.144 -7.967 1.211 1.00 0.00 H new ATOM 0 HE1 TYR A 50 8.181 -9.554 3.529 1.00 0.00 H new ATOM 0 HE2 TYR A 50 6.224 -6.672 1.072 1.00 0.00 H new ATOM 0 HH TYR A 50 8.345 -6.512 1.665 1.00 0.00 H new ATOM 843 N GLY A 51 1.488 -12.538 1.739 1.00 0.00 N ATOM 844 CA GLY A 51 0.426 -13.418 2.188 1.00 0.00 C ATOM 845 C GLY A 51 0.607 -14.841 1.697 1.00 0.00 C ATOM 846 O GLY A 51 0.149 -15.788 2.336 1.00 0.00 O ATOM 0 H GLY A 51 1.231 -11.907 0.980 1.00 0.00 H new ATOM 0 HA2 GLY A 51 0.391 -13.414 3.277 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -0.532 -13.035 1.837 1.00 0.00 H new ATOM 850 N LYS A 52 1.278 -14.990 0.559 1.00 0.00 N ATOM 851 CA LYS A 52 1.520 -16.309 -0.016 1.00 0.00 C ATOM 852 C LYS A 52 3.012 -16.627 -0.052 1.00 0.00 C ATOM 853 O LYS A 52 3.455 -17.478 -0.824 1.00 0.00 O ATOM 854 CB LYS A 52 0.937 -16.385 -1.428 1.00 0.00 C ATOM 855 CG LYS A 52 -0.522 -16.811 -1.461 1.00 0.00 C ATOM 856 CD LYS A 52 -1.454 -15.613 -1.367 1.00 0.00 C ATOM 857 CE LYS A 52 -1.514 -14.849 -2.679 1.00 0.00 C ATOM 858 NZ LYS A 52 -2.317 -13.601 -2.558 1.00 0.00 N ATOM 0 H LYS A 52 1.663 -14.216 0.018 1.00 0.00 H new ATOM 0 HA LYS A 52 1.027 -17.048 0.616 1.00 0.00 H new ATOM 0 HB2 LYS A 52 1.033 -15.410 -1.905 1.00 0.00 H new ATOM 0 HB3 LYS A 52 1.526 -17.088 -2.018 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -0.722 -17.358 -2.383 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -0.722 -17.494 -0.636 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -2.454 -15.950 -1.095 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -1.114 -14.948 -0.573 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -0.503 -14.600 -3.001 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -1.947 -15.486 -3.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -2.906 -13.483 -3.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -2.928 -13.662 -1.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -1.679 -12.785 -2.463 1.00 0.00 H new ATOM 872 N ALA A 53 3.786 -15.943 0.787 1.00 0.00 N ATOM 873 CA ALA A 53 5.226 -16.160 0.844 1.00 0.00 C ATOM 874 C ALA A 53 5.575 -17.271 1.828 1.00 0.00 C ATOM 875 O ALA A 53 6.114 -18.308 1.441 1.00 0.00 O ATOM 876 CB ALA A 53 5.940 -14.873 1.228 1.00 0.00 C ATOM 0 H ALA A 53 3.439 -15.236 1.435 1.00 0.00 H new ATOM 0 HA ALA A 53 5.560 -16.467 -0.147 1.00 0.00 H new ATOM 0 HB1 ALA A 53 7.015 -15.051 1.267 1.00 0.00 H new ATOM 0 HB2 ALA A 53 5.726 -14.103 0.487 1.00 0.00 H new ATOM 0 HB3 ALA A 53 5.592 -14.542 2.206 1.00 0.00 H new ATOM 882 N ASP A 54 5.263 -17.046 3.102 1.00 0.00 N ATOM 883 CA ASP A 54 5.544 -18.026 4.152 1.00 0.00 C ATOM 884 C ASP A 54 5.376 -17.411 5.541 1.00 0.00 C ATOM 885 O ASP A 54 5.134 -18.123 6.516 1.00 0.00 O ATOM 886 CB ASP A 54 6.964 -18.585 4.004 1.00 0.00 C ATOM 887 CG ASP A 54 6.975 -19.988 3.429 1.00 0.00 C ATOM 888 OD1 ASP A 54 6.372 -20.889 4.051 1.00 0.00 O ATOM 889 OD2 ASP A 54 7.586 -20.186 2.358 1.00 0.00 O ATOM 0 H ASP A 54 4.815 -16.192 3.434 1.00 0.00 H new ATOM 0 HA ASP A 54 4.826 -18.839 4.043 1.00 0.00 H new ATOM 0 HB2 ASP A 54 7.546 -17.926 3.359 1.00 0.00 H new ATOM 0 HB3 ASP A 54 7.453 -18.590 4.978 1.00 0.00 H new ATOM 894 N MET A 55 5.517 -16.087 5.627 1.00 0.00 N ATOM 895 CA MET A 55 5.393 -15.374 6.897 1.00 0.00 C ATOM 896 C MET A 55 6.675 -15.496 7.712 1.00 0.00 C ATOM 897 O MET A 55 6.654 -15.418 8.941 1.00 0.00 O ATOM 898 CB MET A 55 4.202 -15.897 7.707 1.00 0.00 C ATOM 899 CG MET A 55 3.474 -14.815 8.487 1.00 0.00 C ATOM 900 SD MET A 55 1.690 -15.069 8.530 1.00 0.00 S ATOM 901 CE MET A 55 1.316 -15.140 6.780 1.00 0.00 C ATOM 0 H MET A 55 5.718 -15.486 4.828 1.00 0.00 H new ATOM 0 HA MET A 55 5.221 -14.322 6.672 1.00 0.00 H new ATOM 0 HB2 MET A 55 3.498 -16.381 7.030 1.00 0.00 H new ATOM 0 HB3 MET A 55 4.553 -16.660 8.402 1.00 0.00 H new ATOM 0 HG2 MET A 55 3.858 -14.788 9.507 1.00 0.00 H new ATOM 0 HG3 MET A 55 3.688 -13.844 8.040 1.00 0.00 H new ATOM 0 HE1 MET A 55 0.342 -14.685 6.597 1.00 0.00 H new ATOM 0 HE2 MET A 55 2.080 -14.598 6.222 1.00 0.00 H new ATOM 0 HE3 MET A 55 1.298 -16.180 6.454 1.00 0.00 H new ATOM 911 N ASN A 56 7.792 -15.679 7.016 1.00 0.00 N ATOM 912 CA ASN A 56 9.091 -15.805 7.665 1.00 0.00 C ATOM 913 C ASN A 56 10.030 -14.689 7.214 1.00 0.00 C ATOM 914 O ASN A 56 11.238 -14.756 7.438 1.00 0.00 O ATOM 915 CB ASN A 56 9.715 -17.164 7.343 1.00 0.00 C ATOM 916 CG ASN A 56 10.169 -17.901 8.588 1.00 0.00 C ATOM 917 OD1 ASN A 56 9.624 -18.950 8.934 1.00 0.00 O ATOM 918 ND2 ASN A 56 11.170 -17.355 9.267 1.00 0.00 N ATOM 0 H ASN A 56 7.823 -15.744 5.999 1.00 0.00 H new ATOM 0 HA ASN A 56 8.942 -15.725 8.742 1.00 0.00 H new ATOM 0 HB2 ASN A 56 8.990 -17.776 6.806 1.00 0.00 H new ATOM 0 HB3 ASN A 56 10.567 -17.021 6.678 1.00 0.00 H new ATOM 0 HD21 ASN A 56 11.518 -17.806 10.113 1.00 0.00 H new ATOM 0 HD22 ASN A 56 11.591 -16.484 8.943 1.00 0.00 H new ATOM 925 N THR A 57 9.470 -13.669 6.571 1.00 0.00 N ATOM 926 CA THR A 57 10.263 -12.550 6.086 1.00 0.00 C ATOM 927 C THR A 57 9.468 -11.250 6.148 1.00 0.00 C ATOM 928 O THR A 57 9.311 -10.559 5.143 1.00 0.00 O ATOM 929 CB THR A 57 10.722 -12.817 4.652 1.00 0.00 C ATOM 930 OG1 THR A 57 11.495 -14.003 4.586 1.00 0.00 O ATOM 931 CG2 THR A 57 11.553 -11.695 4.071 1.00 0.00 C ATOM 0 H THR A 57 8.472 -13.596 6.375 1.00 0.00 H new ATOM 0 HA THR A 57 11.137 -12.446 6.729 1.00 0.00 H new ATOM 0 HB THR A 57 9.806 -12.909 4.068 1.00 0.00 H new ATOM 0 HG1 THR A 57 11.778 -14.158 3.661 1.00 0.00 H new ATOM 0 HG21 THR A 57 11.846 -11.949 3.052 1.00 0.00 H new ATOM 0 HG22 THR A 57 10.968 -10.776 4.062 1.00 0.00 H new ATOM 0 HG23 THR A 57 12.446 -11.551 4.679 1.00 0.00 H new ATOM 939 N PHE A 58 8.970 -10.924 7.336 1.00 0.00 N ATOM 940 CA PHE A 58 8.195 -9.704 7.533 1.00 0.00 C ATOM 941 C PHE A 58 9.055 -8.620 8.179 1.00 0.00 C ATOM 942 O PHE A 58 9.309 -8.656 9.383 1.00 0.00 O ATOM 943 CB PHE A 58 6.970 -9.990 8.404 1.00 0.00 C ATOM 944 CG PHE A 58 5.754 -10.406 7.622 1.00 0.00 C ATOM 945 CD1 PHE A 58 5.882 -11.065 6.409 1.00 0.00 C ATOM 946 CD2 PHE A 58 4.483 -10.137 8.102 1.00 0.00 C ATOM 947 CE1 PHE A 58 4.767 -11.447 5.691 1.00 0.00 C ATOM 948 CE2 PHE A 58 3.363 -10.517 7.387 1.00 0.00 C ATOM 949 CZ PHE A 58 3.505 -11.174 6.180 1.00 0.00 C ATOM 0 H PHE A 58 9.089 -11.488 8.178 1.00 0.00 H new ATOM 0 HA PHE A 58 7.861 -9.348 6.559 1.00 0.00 H new ATOM 0 HB2 PHE A 58 7.218 -10.776 9.117 1.00 0.00 H new ATOM 0 HB3 PHE A 58 6.731 -9.098 8.983 1.00 0.00 H new ATOM 0 HD1 PHE A 58 6.866 -11.282 6.021 1.00 0.00 H new ATOM 0 HD2 PHE A 58 4.366 -9.625 9.045 1.00 0.00 H new ATOM 0 HE1 PHE A 58 4.882 -11.959 4.747 1.00 0.00 H new ATOM 0 HE2 PHE A 58 2.377 -10.300 7.772 1.00 0.00 H new ATOM 0 HZ PHE A 58 2.631 -11.473 5.620 1.00 0.00 H new ATOM 959 N PRO A 59 9.527 -7.640 7.385 1.00 0.00 N ATOM 960 CA PRO A 59 10.363 -6.558 7.882 1.00 0.00 C ATOM 961 C PRO A 59 9.558 -5.351 8.350 1.00 0.00 C ATOM 962 O PRO A 59 9.670 -4.928 9.500 1.00 0.00 O ATOM 963 CB PRO A 59 11.208 -6.204 6.659 1.00 0.00 C ATOM 964 CG PRO A 59 10.367 -6.560 5.471 1.00 0.00 C ATOM 965 CD PRO A 59 9.290 -7.514 5.939 1.00 0.00 C ATOM 0 HA PRO A 59 10.940 -6.852 8.759 1.00 0.00 H new ATOM 0 HB2 PRO A 59 11.465 -5.145 6.654 1.00 0.00 H new ATOM 0 HB3 PRO A 59 12.146 -6.760 6.656 1.00 0.00 H new ATOM 0 HG2 PRO A 59 9.922 -5.665 5.035 1.00 0.00 H new ATOM 0 HG3 PRO A 59 10.977 -7.023 4.695 1.00 0.00 H new ATOM 0 HD2 PRO A 59 8.294 -7.124 5.731 1.00 0.00 H new ATOM 0 HD3 PRO A 59 9.366 -8.478 5.437 1.00 0.00 H new ATOM 973 N ASN A 60 8.747 -4.798 7.453 1.00 0.00 N ATOM 974 CA ASN A 60 7.929 -3.636 7.781 1.00 0.00 C ATOM 975 C ASN A 60 6.444 -3.986 7.766 1.00 0.00 C ATOM 976 O ASN A 60 5.645 -3.363 8.463 1.00 0.00 O ATOM 977 CB ASN A 60 8.205 -2.500 6.795 1.00 0.00 C ATOM 978 CG ASN A 60 9.643 -2.020 6.855 1.00 0.00 C ATOM 979 OD1 ASN A 60 10.333 -1.963 5.836 1.00 0.00 O ATOM 980 ND2 ASN A 60 10.101 -1.672 8.051 1.00 0.00 N ATOM 0 H ASN A 60 8.639 -5.135 6.496 1.00 0.00 H new ATOM 0 HA ASN A 60 8.194 -3.312 8.787 1.00 0.00 H new ATOM 0 HB2 ASN A 60 7.979 -2.837 5.783 1.00 0.00 H new ATOM 0 HB3 ASN A 60 7.537 -1.666 7.009 1.00 0.00 H new ATOM 0 HD21 ASN A 60 11.060 -1.341 8.153 1.00 0.00 H new ATOM 0 HD22 ASN A 60 9.494 -1.735 8.868 1.00 0.00 H new ATOM 987 N PHE A 61 6.081 -4.983 6.965 1.00 0.00 N ATOM 988 CA PHE A 61 4.689 -5.411 6.860 1.00 0.00 C ATOM 989 C PHE A 61 4.128 -5.797 8.226 1.00 0.00 C ATOM 990 O PHE A 61 2.925 -5.690 8.466 1.00 0.00 O ATOM 991 CB PHE A 61 4.570 -6.593 5.895 1.00 0.00 C ATOM 992 CG PHE A 61 3.158 -7.063 5.692 1.00 0.00 C ATOM 993 CD1 PHE A 61 2.488 -7.743 6.698 1.00 0.00 C ATOM 994 CD2 PHE A 61 2.500 -6.826 4.496 1.00 0.00 C ATOM 995 CE1 PHE A 61 1.189 -8.178 6.514 1.00 0.00 C ATOM 996 CE2 PHE A 61 1.201 -7.259 4.306 1.00 0.00 C ATOM 997 CZ PHE A 61 0.545 -7.935 5.316 1.00 0.00 C ATOM 0 H PHE A 61 6.730 -5.509 6.380 1.00 0.00 H new ATOM 0 HA PHE A 61 4.108 -4.573 6.475 1.00 0.00 H new ATOM 0 HB2 PHE A 61 4.992 -6.308 4.931 1.00 0.00 H new ATOM 0 HB3 PHE A 61 5.169 -7.421 6.273 1.00 0.00 H new ATOM 0 HD1 PHE A 61 2.987 -7.935 7.636 1.00 0.00 H new ATOM 0 HD2 PHE A 61 3.008 -6.297 3.703 1.00 0.00 H new ATOM 0 HE1 PHE A 61 0.678 -8.707 7.305 1.00 0.00 H new ATOM 0 HE2 PHE A 61 0.700 -7.069 3.369 1.00 0.00 H new ATOM 0 HZ PHE A 61 -0.470 -8.273 5.170 1.00 0.00 H new ATOM 1007 N THR A 62 5.005 -6.250 9.116 1.00 0.00 N ATOM 1008 CA THR A 62 4.599 -6.656 10.456 1.00 0.00 C ATOM 1009 C THR A 62 3.796 -5.560 11.152 1.00 0.00 C ATOM 1010 O THR A 62 2.730 -5.824 11.707 1.00 0.00 O ATOM 1011 CB THR A 62 5.830 -7.024 11.288 1.00 0.00 C ATOM 1012 OG1 THR A 62 5.450 -7.695 12.475 1.00 0.00 O ATOM 1013 CG2 THR A 62 6.669 -5.832 11.686 1.00 0.00 C ATOM 0 H THR A 62 6.004 -6.345 8.932 1.00 0.00 H new ATOM 0 HA THR A 62 3.955 -7.531 10.363 1.00 0.00 H new ATOM 0 HB THR A 62 6.429 -7.666 10.642 1.00 0.00 H new ATOM 0 HG1 THR A 62 5.712 -8.637 12.416 1.00 0.00 H new ATOM 0 HG21 THR A 62 7.524 -6.168 12.273 1.00 0.00 H new ATOM 0 HG22 THR A 62 7.022 -5.321 10.791 1.00 0.00 H new ATOM 0 HG23 THR A 62 6.067 -5.146 12.282 1.00 0.00 H new ATOM 1021 N PHE A 63 4.313 -4.329 11.122 1.00 0.00 N ATOM 1022 CA PHE A 63 3.637 -3.197 11.757 1.00 0.00 C ATOM 1023 C PHE A 63 3.089 -3.599 13.123 1.00 0.00 C ATOM 1024 O PHE A 63 1.951 -3.282 13.470 1.00 0.00 O ATOM 1025 CB PHE A 63 2.501 -2.689 10.867 1.00 0.00 C ATOM 1026 CG PHE A 63 2.911 -1.573 9.948 1.00 0.00 C ATOM 1027 CD1 PHE A 63 2.811 -0.252 10.354 1.00 0.00 C ATOM 1028 CD2 PHE A 63 3.395 -1.846 8.680 1.00 0.00 C ATOM 1029 CE1 PHE A 63 3.186 0.776 9.510 1.00 0.00 C ATOM 1030 CE2 PHE A 63 3.771 -0.822 7.831 1.00 0.00 C ATOM 1031 CZ PHE A 63 3.667 0.490 8.248 1.00 0.00 C ATOM 0 H PHE A 63 5.194 -4.092 10.666 1.00 0.00 H new ATOM 0 HA PHE A 63 4.364 -2.396 11.894 1.00 0.00 H new ATOM 0 HB2 PHE A 63 2.119 -3.518 10.271 1.00 0.00 H new ATOM 0 HB3 PHE A 63 1.681 -2.346 11.498 1.00 0.00 H new ATOM 0 HD1 PHE A 63 2.436 -0.023 11.341 1.00 0.00 H new ATOM 0 HD2 PHE A 63 3.480 -2.871 8.350 1.00 0.00 H new ATOM 0 HE1 PHE A 63 3.103 1.802 9.837 1.00 0.00 H new ATOM 0 HE2 PHE A 63 4.145 -1.048 6.843 1.00 0.00 H new ATOM 0 HZ PHE A 63 3.962 1.292 7.587 1.00 0.00 H new ATOM 1041 N GLU A 64 3.906 -4.320 13.885 1.00 0.00 N ATOM 1042 CA GLU A 64 3.509 -4.795 15.204 1.00 0.00 C ATOM 1043 C GLU A 64 2.523 -5.950 15.065 1.00 0.00 C ATOM 1044 O GLU A 64 1.428 -5.916 15.624 1.00 0.00 O ATOM 1045 CB GLU A 64 2.888 -3.662 16.028 1.00 0.00 C ATOM 1046 CG GLU A 64 3.577 -2.320 15.840 1.00 0.00 C ATOM 1047 CD GLU A 64 3.614 -1.500 17.115 1.00 0.00 C ATOM 1048 OE1 GLU A 64 2.532 -1.225 17.676 1.00 0.00 O ATOM 1049 OE2 GLU A 64 4.725 -1.133 17.553 1.00 0.00 O ATOM 0 H GLU A 64 4.851 -4.588 13.609 1.00 0.00 H new ATOM 0 HA GLU A 64 4.398 -5.146 15.727 1.00 0.00 H new ATOM 0 HB2 GLU A 64 1.837 -3.562 15.757 1.00 0.00 H new ATOM 0 HB3 GLU A 64 2.921 -3.932 17.083 1.00 0.00 H new ATOM 0 HG2 GLU A 64 4.596 -2.485 15.489 1.00 0.00 H new ATOM 0 HG3 GLU A 64 3.060 -1.756 15.064 1.00 0.00 H new ATOM 1056 N ASP A 65 2.920 -6.966 14.295 1.00 0.00 N ATOM 1057 CA ASP A 65 2.080 -8.141 14.051 1.00 0.00 C ATOM 1058 C ASP A 65 1.323 -8.584 15.301 1.00 0.00 C ATOM 1059 O ASP A 65 1.671 -8.203 16.415 1.00 0.00 O ATOM 1060 CB ASP A 65 2.926 -9.308 13.553 1.00 0.00 C ATOM 1061 CG ASP A 65 4.280 -9.385 14.233 1.00 0.00 C ATOM 1062 OD1 ASP A 65 4.427 -8.811 15.332 1.00 0.00 O ATOM 1063 OD2 ASP A 65 5.194 -10.020 13.665 1.00 0.00 O ATOM 0 H ASP A 65 3.825 -6.998 13.826 1.00 0.00 H new ATOM 0 HA ASP A 65 1.352 -7.850 13.293 1.00 0.00 H new ATOM 0 HB2 ASP A 65 2.386 -10.240 13.722 1.00 0.00 H new ATOM 0 HB3 ASP A 65 3.070 -9.213 12.477 1.00 0.00 H new ATOM 1068 N PRO A 66 0.288 -9.430 15.122 1.00 0.00 N ATOM 1069 CA PRO A 66 -0.534 -9.968 16.214 1.00 0.00 C ATOM 1070 C PRO A 66 0.275 -10.324 17.456 1.00 0.00 C ATOM 1071 O PRO A 66 -0.249 -10.300 18.567 1.00 0.00 O ATOM 1072 CB PRO A 66 -1.163 -11.232 15.599 1.00 0.00 C ATOM 1073 CG PRO A 66 -0.550 -11.359 14.241 1.00 0.00 C ATOM 1074 CD PRO A 66 -0.166 -9.970 13.842 1.00 0.00 C ATOM 0 HA PRO A 66 -1.261 -9.235 16.564 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -0.954 -12.111 16.208 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -2.247 -11.140 15.534 1.00 0.00 H new ATOM 0 HG2 PRO A 66 0.320 -12.015 14.263 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -1.256 -11.790 13.531 1.00 0.00 H new ATOM 0 HD2 PRO A 66 0.621 -9.960 13.087 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -1.007 -9.411 13.433 1.00 0.00 H new ATOM 1082 N LYS A 67 1.553 -10.647 17.272 1.00 0.00 N ATOM 1083 CA LYS A 67 2.416 -10.988 18.400 1.00 0.00 C ATOM 1084 C LYS A 67 2.299 -9.933 19.498 1.00 0.00 C ATOM 1085 O LYS A 67 2.516 -10.214 20.677 1.00 0.00 O ATOM 1086 CB LYS A 67 3.871 -11.109 17.942 1.00 0.00 C ATOM 1087 CG LYS A 67 4.183 -12.423 17.245 1.00 0.00 C ATOM 1088 CD LYS A 67 5.195 -12.234 16.127 1.00 0.00 C ATOM 1089 CE LYS A 67 6.523 -11.719 16.659 1.00 0.00 C ATOM 1090 NZ LYS A 67 6.494 -10.249 16.896 1.00 0.00 N ATOM 0 H LYS A 67 2.011 -10.680 16.361 1.00 0.00 H new ATOM 0 HA LYS A 67 2.094 -11.949 18.801 1.00 0.00 H new ATOM 0 HB2 LYS A 67 4.100 -10.285 17.266 1.00 0.00 H new ATOM 0 HB3 LYS A 67 4.525 -11.002 18.807 1.00 0.00 H new ATOM 0 HG2 LYS A 67 4.570 -13.138 17.971 1.00 0.00 H new ATOM 0 HG3 LYS A 67 3.265 -12.847 16.838 1.00 0.00 H new ATOM 0 HD2 LYS A 67 5.351 -13.182 15.612 1.00 0.00 H new ATOM 0 HD3 LYS A 67 4.800 -11.533 15.392 1.00 0.00 H new ATOM 0 HE2 LYS A 67 6.765 -12.232 17.590 1.00 0.00 H new ATOM 0 HE3 LYS A 67 7.315 -11.957 15.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 7.421 -9.841 16.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 5.762 -9.815 16.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 6.278 -10.063 17.896 1.00 0.00 H new ATOM 1104 N PHE A 68 1.945 -8.715 19.091 1.00 0.00 N ATOM 1105 CA PHE A 68 1.785 -7.600 20.026 1.00 0.00 C ATOM 1106 C PHE A 68 0.421 -7.622 20.719 1.00 0.00 C ATOM 1107 O PHE A 68 0.080 -6.695 21.455 1.00 0.00 O ATOM 1108 CB PHE A 68 1.972 -6.259 19.304 1.00 0.00 C ATOM 1109 CG PHE A 68 0.882 -5.910 18.316 1.00 0.00 C ATOM 1110 CD1 PHE A 68 0.056 -6.886 17.774 1.00 0.00 C ATOM 1111 CD2 PHE A 68 0.704 -4.595 17.912 1.00 0.00 C ATOM 1112 CE1 PHE A 68 -0.920 -6.558 16.854 1.00 0.00 C ATOM 1113 CE2 PHE A 68 -0.275 -4.262 16.995 1.00 0.00 C ATOM 1114 CZ PHE A 68 -1.087 -5.244 16.464 1.00 0.00 C ATOM 0 H PHE A 68 1.763 -8.474 18.117 1.00 0.00 H new ATOM 0 HA PHE A 68 2.554 -7.714 20.790 1.00 0.00 H new ATOM 0 HB2 PHE A 68 2.033 -5.467 20.050 1.00 0.00 H new ATOM 0 HB3 PHE A 68 2.927 -6.276 18.778 1.00 0.00 H new ATOM 0 HD1 PHE A 68 0.179 -7.916 18.076 1.00 0.00 H new ATOM 0 HD2 PHE A 68 1.338 -3.822 18.319 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -1.553 -7.329 16.440 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -0.405 -3.233 16.694 1.00 0.00 H new ATOM 0 HZ PHE A 68 -1.851 -4.985 15.746 1.00 0.00 H new ATOM 1124 N GLU A 69 -0.358 -8.674 20.487 1.00 0.00 N ATOM 1125 CA GLU A 69 -1.678 -8.794 21.097 1.00 0.00 C ATOM 1126 C GLU A 69 -2.339 -10.113 20.712 1.00 0.00 C ATOM 1127 O GLU A 69 -2.536 -10.398 19.531 1.00 0.00 O ATOM 1128 CB GLU A 69 -2.567 -7.623 20.675 1.00 0.00 C ATOM 1129 CG GLU A 69 -2.747 -7.507 19.171 1.00 0.00 C ATOM 1130 CD GLU A 69 -4.096 -8.021 18.704 1.00 0.00 C ATOM 1131 OE1 GLU A 69 -5.125 -7.446 19.115 1.00 0.00 O ATOM 1132 OE2 GLU A 69 -4.121 -9.000 17.930 1.00 0.00 O ATOM 0 H GLU A 69 -0.099 -9.454 19.883 1.00 0.00 H new ATOM 0 HA GLU A 69 -1.552 -8.774 22.180 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -3.546 -7.734 21.142 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -2.136 -6.696 21.054 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -2.637 -6.464 18.875 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -1.956 -8.065 18.670 1.00 0.00 H new ATOM 1139 N VAL A 70 -2.683 -10.913 21.716 1.00 0.00 N ATOM 1140 CA VAL A 70 -3.323 -12.200 21.482 1.00 0.00 C ATOM 1141 C VAL A 70 -4.075 -12.674 22.721 1.00 0.00 C ATOM 1142 O VAL A 70 -4.183 -13.875 22.974 1.00 0.00 O ATOM 1143 CB VAL A 70 -2.295 -13.274 21.078 1.00 0.00 C ATOM 1144 CG1 VAL A 70 -1.816 -13.045 19.653 1.00 0.00 C ATOM 1145 CG2 VAL A 70 -1.124 -13.283 22.047 1.00 0.00 C ATOM 0 H VAL A 70 -2.529 -10.691 22.700 1.00 0.00 H new ATOM 0 HA VAL A 70 -4.029 -12.057 20.664 1.00 0.00 H new ATOM 0 HB VAL A 70 -2.780 -14.249 21.121 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -1.090 -13.813 19.385 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -2.665 -13.094 18.971 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -1.349 -12.063 19.580 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -0.408 -14.048 21.746 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -0.638 -12.308 22.039 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -1.485 -13.500 23.052 1.00 0.00 H new ATOM 1155 N VAL A 71 -4.594 -11.723 23.492 1.00 0.00 N ATOM 1156 CA VAL A 71 -5.335 -12.044 24.705 1.00 0.00 C ATOM 1157 C VAL A 71 -6.594 -11.186 24.821 1.00 0.00 C ATOM 1158 O VAL A 71 -6.911 -10.670 25.893 1.00 0.00 O ATOM 1159 CB VAL A 71 -4.464 -11.849 25.963 1.00 0.00 C ATOM 1160 CG1 VAL A 71 -4.054 -10.392 26.114 1.00 0.00 C ATOM 1161 CG2 VAL A 71 -5.199 -12.335 27.203 1.00 0.00 C ATOM 0 H VAL A 71 -4.515 -10.725 23.298 1.00 0.00 H new ATOM 0 HA VAL A 71 -5.623 -13.093 24.637 1.00 0.00 H new ATOM 0 HB VAL A 71 -3.558 -12.445 25.848 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -3.440 -10.277 27.008 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -3.482 -10.082 25.239 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -4.945 -9.771 26.204 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -4.569 -12.189 28.080 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -6.124 -11.770 27.323 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -5.432 -13.394 27.096 1.00 0.00 H new ATOM 1171 N GLU A 72 -7.307 -11.038 23.709 1.00 0.00 N ATOM 1172 CA GLU A 72 -8.530 -10.245 23.685 1.00 0.00 C ATOM 1173 C GLU A 72 -8.250 -8.799 24.084 1.00 0.00 C ATOM 1174 O GLU A 72 -8.783 -8.302 25.078 1.00 0.00 O ATOM 1175 CB GLU A 72 -9.576 -10.855 24.620 1.00 0.00 C ATOM 1176 CG GLU A 72 -11.005 -10.480 24.261 1.00 0.00 C ATOM 1177 CD GLU A 72 -11.425 -11.014 22.906 1.00 0.00 C ATOM 1178 OE1 GLU A 72 -11.524 -12.250 22.760 1.00 0.00 O ATOM 1179 OE2 GLU A 72 -11.655 -10.196 21.990 1.00 0.00 O ATOM 0 H GLU A 72 -7.059 -11.457 22.813 1.00 0.00 H new ATOM 0 HA GLU A 72 -8.918 -10.251 22.666 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -9.479 -11.940 24.602 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -9.370 -10.533 25.641 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -11.681 -10.865 25.025 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -11.104 -9.395 24.266 1.00 0.00 H new ATOM 1186 N LYS A 73 -7.410 -8.127 23.303 1.00 0.00 N ATOM 1187 CA LYS A 73 -7.059 -6.738 23.575 1.00 0.00 C ATOM 1188 C LYS A 73 -6.401 -6.599 24.946 1.00 0.00 C ATOM 1189 O LYS A 73 -6.554 -7.465 25.807 1.00 0.00 O ATOM 1190 CB LYS A 73 -8.304 -5.852 23.501 1.00 0.00 C ATOM 1191 CG LYS A 73 -8.575 -5.295 22.113 1.00 0.00 C ATOM 1192 CD LYS A 73 -9.589 -6.141 21.362 1.00 0.00 C ATOM 1193 CE LYS A 73 -10.998 -5.593 21.522 1.00 0.00 C ATOM 1194 NZ LYS A 73 -11.188 -4.320 20.774 1.00 0.00 N ATOM 0 H LYS A 73 -6.960 -8.522 22.477 1.00 0.00 H new ATOM 0 HA LYS A 73 -6.346 -6.415 22.817 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -9.170 -6.429 23.827 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -8.192 -5.023 24.200 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -8.943 -4.272 22.196 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -7.644 -5.254 21.548 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -9.327 -6.172 20.304 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -9.552 -7.167 21.729 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -11.717 -6.332 21.169 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -11.205 -5.427 22.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -12.204 -4.147 20.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -10.774 -3.534 21.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -10.719 -4.388 19.848 1.00 0.00 H new ATOM 1208 N PRO A 74 -5.658 -5.501 25.166 1.00 0.00 N ATOM 1209 CA PRO A 74 -4.976 -5.253 26.440 1.00 0.00 C ATOM 1210 C PRO A 74 -5.950 -4.893 27.557 1.00 0.00 C ATOM 1211 O PRO A 74 -5.897 -3.794 28.112 1.00 0.00 O ATOM 1212 CB PRO A 74 -4.059 -4.069 26.124 1.00 0.00 C ATOM 1213 CG PRO A 74 -4.736 -3.356 25.006 1.00 0.00 C ATOM 1214 CD PRO A 74 -5.424 -4.418 24.191 1.00 0.00 C ATOM 0 HA PRO A 74 -4.446 -6.135 26.800 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -3.937 -3.420 26.991 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -3.063 -4.405 25.834 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -5.454 -2.629 25.385 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -4.015 -2.806 24.401 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -6.358 -4.054 23.763 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -4.802 -4.753 23.361 1.00 0.00 H new ATOM 1222 N GLN A 75 -6.838 -5.825 27.884 1.00 0.00 N ATOM 1223 CA GLN A 75 -7.824 -5.606 28.936 1.00 0.00 C ATOM 1224 C GLN A 75 -7.821 -6.759 29.934 1.00 0.00 C ATOM 1225 O GLN A 75 -7.825 -6.543 31.147 1.00 0.00 O ATOM 1226 CB GLN A 75 -9.220 -5.445 28.330 1.00 0.00 C ATOM 1227 CG GLN A 75 -9.554 -6.497 27.285 1.00 0.00 C ATOM 1228 CD GLN A 75 -10.876 -6.231 26.592 1.00 0.00 C ATOM 1229 OE1 GLN A 75 -11.009 -5.272 25.831 1.00 0.00 O ATOM 1230 NE2 GLN A 75 -11.863 -7.080 26.852 1.00 0.00 N ATOM 0 H GLN A 75 -6.895 -6.739 27.436 1.00 0.00 H new ATOM 0 HA GLN A 75 -7.557 -4.691 29.465 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -9.961 -5.490 29.128 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -9.299 -4.457 27.877 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -8.758 -6.530 26.541 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -9.588 -7.478 27.760 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -11.709 -7.861 27.489 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -12.775 -6.951 26.415 1.00 0.00 H new ATOM 1239 N SER A 76 -7.813 -7.983 29.417 1.00 0.00 N ATOM 1240 CA SER A 76 -7.808 -9.170 30.263 1.00 0.00 C ATOM 1241 C SER A 76 -6.567 -9.202 31.150 1.00 0.00 C ATOM 1242 O SER A 76 -6.515 -10.052 32.064 1.00 0.00 O ATOM 1243 CB SER A 76 -7.869 -10.435 29.405 1.00 0.00 C ATOM 1244 OG SER A 76 -8.609 -11.456 30.051 1.00 0.00 O ATOM 1245 OXT SER A 76 -5.657 -8.378 30.921 1.00 0.00 O ATOM 0 H SER A 76 -7.810 -8.179 28.416 1.00 0.00 H new ATOM 0 HA SER A 76 -8.689 -9.132 30.904 1.00 0.00 H new ATOM 0 HB2 SER A 76 -8.326 -10.204 28.443 1.00 0.00 H new ATOM 0 HB3 SER A 76 -6.858 -10.788 29.201 1.00 0.00 H new ATOM 0 HG SER A 76 -8.634 -12.253 29.481 1.00 0.00 H new TER 1251 SER A 76