USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=17 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 -55:sc= 1.27 USER MOD Set 1.2: A 57 SER OG : rot -86:sc= 0.231 USER MOD Single : A 1 MET CE :methyl 177:sc= 0 (180deg=-0.0116) USER MOD Single : A 1 MET N :NH3+ 162:sc= 1.25 (180deg=1.12) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.073) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 47:sc= 1.17 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.0298 USER MOD Single : A 11 LYS NZ :NH3+ 157:sc= 1.03 (180deg=-0.336!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -67:sc= 0.431 USER MOD Single : A 20 SER OG : rot 180:sc= 0.027 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 27 LYS NZ :NH3+ 172:sc= 1.25 (180deg=1.16) USER MOD Single : A 29 LYS NZ :NH3+ -170:sc= 0.982 (180deg=0.88) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.21) 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=-0.029) USER MOD Single : A 41 GLN : amide:sc= 0.559 K(o=0.56,f=-2.8!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.0766 K(o=-0.077,f=-4.4!) USER MOD Single : A 59 TYR OH : rot 30:sc= 0.0304 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ -162:sc= 1.27 (180deg=1.17) USER MOD Single : A 65 SER OG : rot -149:sc= -0.0441 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.601 K(o=-0.6,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.368 -8.032 -5.128 1.00 9.67 N ATOM 2 CA MET A 1 11.234 -8.168 -3.616 1.00 10.38 C ATOM 3 C MET A 1 9.804 -8.227 -3.175 1.00 9.62 C ATOM 4 O MET A 1 8.958 -8.145 -4.057 1.00 9.62 O ATOM 5 CB MET A 1 12.107 -7.086 -2.835 1.00 13.77 C ATOM 6 CG MET A 1 11.536 -5.648 -2.763 1.00 16.29 C ATOM 7 SD MET A 1 10.432 -5.338 -1.348 1.00 17.17 S ATOM 8 CE MET A 1 10.320 -3.605 -1.761 1.00 16.11 C ATOM 0 H1 MET A 1 12.323 -7.694 -5.363 1.00 9.67 H new ATOM 0 H2 MET A 1 11.209 -8.957 -5.575 1.00 9.67 H new ATOM 0 H3 MET A 1 10.664 -7.352 -5.479 1.00 9.67 H new ATOM 0 HA MET A 1 11.658 -9.134 -3.340 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.258 -7.443 -1.816 1.00 13.77 H new ATOM 0 HB3 MET A 1 13.089 -7.038 -3.305 1.00 13.77 H new ATOM 0 HG2 MET A 1 12.367 -4.944 -2.720 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.991 -5.442 -3.684 1.00 16.29 H new ATOM 0 HE1 MET A 1 9.634 -3.111 -1.073 1.00 16.11 H new ATOM 0 HE2 MET A 1 11.306 -3.147 -1.681 1.00 16.11 H new ATOM 0 HE3 MET A 1 9.952 -3.497 -2.781 1.00 16.11 H new ATOM 20 N GLN A 2 9.494 -8.576 -1.905 1.00 9.27 N ATOM 21 CA GLN A 2 8.140 -8.826 -1.452 1.00 9.07 C ATOM 22 C GLN A 2 7.930 -7.992 -0.236 1.00 8.72 C ATOM 23 O GLN A 2 8.808 -7.858 0.599 1.00 8.22 O ATOM 24 CB GLN A 2 7.886 -10.321 -1.182 1.00 14.46 C ATOM 25 CG GLN A 2 7.989 -11.350 -2.357 1.00 17.01 C ATOM 26 CD GLN A 2 7.825 -12.751 -1.867 1.00 20.10 C ATOM 27 OE1 GLN A 2 8.622 -13.187 -1.066 1.00 21.89 O ATOM 28 NE2 GLN A 2 6.910 -13.561 -2.423 1.00 19.49 N ATOM 0 H GLN A 2 10.195 -8.688 -1.173 1.00 9.27 H new ATOM 0 HA GLN A 2 7.423 -8.554 -2.227 1.00 9.07 H new ATOM 0 HB2 GLN A 2 8.588 -10.636 -0.410 1.00 14.46 H new ATOM 0 HB3 GLN A 2 6.886 -10.410 -0.758 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.225 -11.131 -3.103 1.00 17.01 H new ATOM 0 HG3 GLN A 2 8.955 -11.246 -2.851 1.00 17.01 H new ATOM 0 HE21 GLN A 2 6.241 -13.188 -3.097 1.00 19.49 H new ATOM 0 HE22 GLN A 2 6.884 -14.549 -2.171 1.00 19.49 H new ATOM 37 N ILE A 3 6.654 -7.530 -0.153 1.00 5.87 N ATOM 38 CA ILE A 3 6.215 -6.825 1.055 1.00 5.07 C ATOM 39 C ILE A 3 4.848 -7.418 1.316 1.00 4.01 C ATOM 40 O ILE A 3 4.157 -7.949 0.434 1.00 4.61 O ATOM 41 CB ILE A 3 6.219 -5.281 1.110 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.416 -4.715 0.003 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.674 -4.730 1.202 1.00 5.58 C ATOM 44 CD1 ILE A 3 5.279 -3.171 0.092 1.00 10.83 C ATOM 0 H ILE A 3 5.947 -7.632 -0.881 1.00 5.87 H new ATOM 0 HA ILE A 3 6.969 -6.983 1.826 1.00 5.07 H new ATOM 0 HB ILE A 3 5.729 -4.948 2.025 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.877 -4.981 -0.948 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.423 -5.165 0.012 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.649 -3.641 1.239 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.152 -5.113 2.104 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.240 -5.050 0.327 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.681 -2.810 -0.745 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.792 -2.902 1.029 1.00 10.83 H new ATOM 0 HD13 ILE A 3 6.268 -2.715 0.054 1.00 10.83 H new ATOM 56 N PHE A 4 4.455 -7.299 2.627 1.00 4.55 N ATOM 57 CA PHE A 4 3.207 -7.871 3.172 1.00 4.68 C ATOM 58 C PHE A 4 2.238 -6.751 3.506 1.00 5.30 C ATOM 59 O PHE A 4 2.504 -5.812 4.289 1.00 5.58 O ATOM 60 CB PHE A 4 3.489 -8.611 4.485 1.00 4.83 C ATOM 61 CG PHE A 4 4.449 -9.657 4.179 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.095 -10.869 3.464 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.769 -9.560 4.655 1.00 8.34 C ATOM 64 CE1 PHE A 4 4.949 -11.905 3.244 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.635 -10.601 4.408 1.00 10.61 C ATOM 66 CZ PHE A 4 6.248 -11.709 3.709 1.00 8.90 C ATOM 0 H PHE A 4 5.007 -6.800 3.324 1.00 4.55 H new ATOM 0 HA PHE A 4 2.795 -8.549 2.425 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.887 -7.928 5.236 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.572 -9.035 4.894 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.089 -10.954 3.082 1.00 6.69 H new ATOM 0 HD2 PHE A 4 6.096 -8.688 5.202 1.00 8.34 H new ATOM 0 HE1 PHE A 4 4.643 -12.813 2.746 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.648 -10.540 4.777 1.00 10.61 H new ATOM 0 HZ PHE A 4 6.986 -12.471 3.507 1.00 8.90 H new ATOM 76 N VAL A 5 1.011 -6.861 2.926 1.00 4.44 N ATOM 77 CA VAL A 5 -0.023 -5.937 3.152 1.00 3.87 C ATOM 78 C VAL A 5 -0.949 -6.672 4.169 1.00 4.93 C ATOM 79 O VAL A 5 -1.510 -7.740 3.900 1.00 6.84 O ATOM 80 CB VAL A 5 -0.876 -5.593 1.894 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.990 -4.610 2.221 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.175 -4.927 0.948 1.00 9.13 C ATOM 0 H VAL A 5 0.757 -7.617 2.290 1.00 4.44 H new ATOM 0 HA VAL A 5 0.400 -4.988 3.482 1.00 3.87 H new ATOM 0 HB VAL A 5 -1.374 -6.464 1.468 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.562 -4.395 1.318 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.649 -5.044 2.974 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.559 -3.686 2.606 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -0.308 -4.636 0.015 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.592 -4.044 1.432 1.00 9.13 H new ATOM 0 HG23 VAL A 5 0.975 -5.636 0.736 1.00 9.13 H new ATOM 92 N LYS A 6 -1.109 -6.081 5.360 1.00 6.04 N ATOM 93 CA LYS A 6 -2.055 -6.389 6.408 1.00 6.12 C ATOM 94 C LYS A 6 -3.324 -5.528 6.411 1.00 6.57 C ATOM 95 O LYS A 6 -3.272 -4.411 5.985 1.00 5.76 O ATOM 96 CB LYS A 6 -1.414 -6.238 7.872 1.00 7.45 C ATOM 97 CG LYS A 6 -0.308 -7.278 8.152 1.00 11.12 C ATOM 98 CD LYS A 6 0.254 -7.333 9.601 1.00 14.54 C ATOM 99 CE LYS A 6 -0.869 -7.793 10.588 1.00 18.84 C ATOM 100 NZ LYS A 6 -0.351 -7.962 11.917 1.00 20.55 N ATOM 0 H LYS A 6 -0.512 -5.298 5.627 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.324 -7.421 6.184 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -0.999 -5.236 7.980 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.200 -6.340 8.620 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -0.698 -8.264 7.902 1.00 11.12 H new ATOM 0 HG3 LYS A 6 0.522 -7.082 7.473 1.00 11.12 H new ATOM 0 HD2 LYS A 6 1.097 -8.023 9.648 1.00 14.54 H new ATOM 0 HD3 LYS A 6 0.628 -6.352 9.893 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -1.673 -7.057 10.598 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -1.301 -8.731 10.241 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -1.116 -8.267 12.552 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 0.399 -8.682 11.908 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 0.039 -7.059 12.255 1.00 20.55 H new ATOM 114 N THR A 7 -4.450 -6.116 6.820 1.00 7.41 N ATOM 115 CA THR A 7 -5.736 -5.399 6.792 1.00 7.48 C ATOM 116 C THR A 7 -6.493 -5.905 7.943 1.00 8.75 C ATOM 117 O THR A 7 -6.123 -6.854 8.666 1.00 8.58 O ATOM 118 CB THR A 7 -6.438 -5.493 5.478 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.429 -4.458 5.342 1.00 11.78 O ATOM 120 CG2 THR A 7 -7.013 -6.865 5.266 1.00 9.17 C ATOM 0 H THR A 7 -4.503 -7.072 7.170 1.00 7.41 H new ATOM 0 HA THR A 7 -5.600 -4.321 6.885 1.00 7.48 H new ATOM 0 HB THR A 7 -5.703 -5.333 4.689 1.00 9.61 H new ATOM 0 HG1 THR A 7 -7.040 -3.597 5.602 1.00 11.78 H new ATOM 0 HG21 THR A 7 -7.518 -6.903 4.301 1.00 9.17 H new ATOM 0 HG22 THR A 7 -6.211 -7.603 5.285 1.00 9.17 H new ATOM 0 HG23 THR A 7 -7.728 -7.086 6.058 1.00 9.17 H new ATOM 128 N LEU A 8 -7.558 -5.202 8.325 1.00 9.84 N ATOM 129 CA LEU A 8 -8.305 -5.434 9.527 1.00 14.15 C ATOM 130 C LEU A 8 -9.297 -6.617 9.534 1.00 17.37 C ATOM 131 O LEU A 8 -9.699 -7.076 10.566 1.00 17.01 O ATOM 132 CB LEU A 8 -9.139 -4.155 9.943 1.00 16.63 C ATOM 133 CG LEU A 8 -8.354 -2.838 9.970 1.00 18.88 C ATOM 134 CD1 LEU A 8 -9.340 -1.691 10.268 1.00 19.31 C ATOM 135 CD2 LEU A 8 -7.122 -2.746 10.904 1.00 18.59 C ATOM 0 H LEU A 8 -7.926 -4.428 7.773 1.00 9.84 H new ATOM 0 HA LEU A 8 -7.509 -5.684 10.228 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -9.974 -4.046 9.251 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -9.564 -4.325 10.932 1.00 16.63 H new ATOM 0 HG LEU A 8 -7.902 -2.768 8.981 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -8.800 -0.744 10.292 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -10.102 -1.655 9.490 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -9.815 -1.862 11.234 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -6.671 -1.758 10.815 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -7.434 -2.911 11.935 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -6.393 -3.505 10.620 1.00 18.59 H new ATOM 147 N THR A 9 -9.655 -7.147 8.320 1.00 18.33 N ATOM 148 CA THR A 9 -10.659 -8.164 8.046 1.00 19.24 C ATOM 149 C THR A 9 -10.062 -9.555 8.169 1.00 19.48 C ATOM 150 O THR A 9 -10.622 -10.505 7.655 1.00 23.14 O ATOM 151 CB THR A 9 -11.250 -7.929 6.617 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.256 -7.672 5.635 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.096 -6.652 6.751 1.00 19.70 C ATOM 0 H THR A 9 -9.201 -6.834 7.462 1.00 18.33 H new ATOM 0 HA THR A 9 -11.462 -8.088 8.779 1.00 19.24 H new ATOM 0 HB THR A 9 -11.794 -8.818 6.298 1.00 18.97 H new ATOM 0 HG1 THR A 9 -10.684 -7.535 4.764 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.550 -6.413 5.789 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.879 -6.811 7.492 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.460 -5.825 7.067 1.00 19.70 H new ATOM 161 N GLY A 10 -8.966 -9.787 8.921 1.00 19.43 N ATOM 162 CA GLY A 10 -8.383 -11.099 8.997 1.00 18.74 C ATOM 163 C GLY A 10 -7.677 -11.599 7.769 1.00 17.62 C ATOM 164 O GLY A 10 -7.874 -12.751 7.328 1.00 19.74 O ATOM 0 H GLY A 10 -8.486 -9.075 9.472 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -7.673 -11.108 9.824 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -9.173 -11.808 9.247 1.00 18.74 H new ATOM 168 N LYS A 11 -6.867 -10.728 7.149 1.00 13.56 N ATOM 169 CA LYS A 11 -6.177 -11.030 5.933 1.00 11.91 C ATOM 170 C LYS A 11 -4.827 -10.400 6.132 1.00 10.18 C ATOM 171 O LYS A 11 -4.791 -9.338 6.715 1.00 9.10 O ATOM 172 CB LYS A 11 -6.992 -10.496 4.734 1.00 13.43 C ATOM 173 CG LYS A 11 -6.622 -11.248 3.450 1.00 16.69 C ATOM 174 CD LYS A 11 -7.465 -10.908 2.202 1.00 17.92 C ATOM 175 CE LYS A 11 -7.278 -11.993 1.095 1.00 20.81 C ATOM 176 NZ LYS A 11 -8.203 -11.721 -0.029 1.00 21.93 N ATOM 0 H LYS A 11 -6.685 -9.788 7.500 1.00 13.56 H new ATOM 0 HA LYS A 11 -6.056 -12.090 5.709 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -8.058 -10.609 4.933 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.803 -9.430 4.605 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.575 -11.047 3.223 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.707 -12.318 3.641 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -8.518 -10.839 2.476 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.172 -9.932 1.814 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -6.248 -11.991 0.740 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -7.471 -12.984 1.506 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -7.837 -12.165 -0.895 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -9.141 -12.113 0.191 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -8.282 -10.694 -0.173 1.00 21.93 H new ATOM 190 N THR A 12 -3.797 -11.138 5.649 1.00 9.63 N ATOM 191 CA THR A 12 -2.492 -10.684 5.281 1.00 9.85 C ATOM 192 C THR A 12 -2.227 -11.267 3.953 1.00 11.66 C ATOM 193 O THR A 12 -2.483 -12.431 3.713 1.00 12.33 O ATOM 194 CB THR A 12 -1.392 -11.030 6.246 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.750 -10.637 7.551 1.00 10.91 O ATOM 196 CG2 THR A 12 -0.106 -10.279 5.850 1.00 9.63 C ATOM 0 H THR A 12 -3.897 -12.143 5.507 1.00 9.63 H new ATOM 0 HA THR A 12 -2.490 -9.594 5.283 1.00 9.85 H new ATOM 0 HB THR A 12 -1.229 -12.107 6.216 1.00 10.85 H new ATOM 0 HG1 THR A 12 -1.028 -10.868 8.172 1.00 10.91 H new ATOM 0 HG21 THR A 12 0.692 -10.530 6.549 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.190 -10.571 4.842 1.00 9.63 H new ATOM 0 HG23 THR A 12 -0.289 -9.205 5.878 1.00 9.63 H new ATOM 204 N ILE A 13 -1.714 -10.499 2.988 1.00 10.42 N ATOM 205 CA ILE A 13 -1.345 -10.935 1.660 1.00 11.84 C ATOM 206 C ILE A 13 0.074 -10.404 1.339 1.00 10.55 C ATOM 207 O ILE A 13 0.642 -9.541 1.972 1.00 11.92 O ATOM 208 CB ILE A 13 -2.344 -10.348 0.587 1.00 14.86 C ATOM 209 CG1 ILE A 13 -2.413 -8.815 0.686 1.00 14.87 C ATOM 210 CG2 ILE A 13 -3.712 -11.024 0.662 1.00 17.08 C ATOM 211 CD1 ILE A 13 -2.901 -8.088 -0.595 1.00 16.46 C ATOM 0 H ILE A 13 -1.540 -9.504 3.131 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.375 -12.024 1.626 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.958 -10.577 -0.406 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -3.077 -8.550 1.509 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -1.422 -8.439 0.942 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -4.372 -10.594 -0.091 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -3.600 -12.093 0.479 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -4.141 -10.868 1.652 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -2.913 -7.012 -0.420 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -2.226 -8.314 -1.421 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -3.906 -8.427 -0.845 1.00 16.46 H new ATOM 223 N THR A 14 0.685 -10.952 0.276 1.00 9.39 N ATOM 224 CA THR A 14 2.041 -10.793 -0.162 1.00 9.63 C ATOM 225 C THR A 14 2.034 -10.075 -1.496 1.00 11.20 C ATOM 226 O THR A 14 1.504 -10.565 -2.442 1.00 11.63 O ATOM 227 CB THR A 14 2.853 -12.066 -0.323 1.00 10.38 C ATOM 228 OG1 THR A 14 2.769 -12.847 0.859 1.00 16.30 O ATOM 229 CG2 THR A 14 4.356 -11.678 -0.579 1.00 11.66 C ATOM 0 H THR A 14 0.171 -11.576 -0.346 1.00 9.39 H new ATOM 0 HA THR A 14 2.529 -10.235 0.637 1.00 9.63 H new ATOM 0 HB THR A 14 2.463 -12.643 -1.161 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.229 -12.384 1.590 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.951 -12.584 -0.696 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.427 -11.077 -1.486 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.733 -11.104 0.267 1.00 11.66 H new ATOM 237 N LEU A 15 2.710 -8.931 -1.633 1.00 8.29 N ATOM 238 CA LEU A 15 2.876 -8.180 -2.846 1.00 9.03 C ATOM 239 C LEU A 15 4.284 -8.465 -3.455 1.00 8.59 C ATOM 240 O LEU A 15 5.266 -8.413 -2.705 1.00 7.79 O ATOM 241 CB LEU A 15 2.744 -6.645 -2.704 1.00 11.08 C ATOM 242 CG LEU A 15 1.292 -6.193 -2.459 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.269 -4.732 -2.340 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.307 -6.674 -3.519 1.00 15.27 C ATOM 0 H LEU A 15 3.179 -8.491 -0.841 1.00 8.29 H new ATOM 0 HA LEU A 15 2.057 -8.514 -3.483 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.370 -6.305 -1.879 1.00 11.08 H new ATOM 0 HB3 LEU A 15 3.121 -6.167 -3.608 1.00 11.08 H new ATOM 0 HG LEU A 15 0.955 -6.658 -1.532 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.246 -4.397 -2.166 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.898 -4.425 -1.505 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.645 -4.286 -3.261 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.693 -6.315 -3.276 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.604 -6.288 -4.494 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.305 -7.764 -3.546 1.00 15.27 H new ATOM 256 N GLU A 16 4.444 -8.594 -4.782 1.00 11.04 N ATOM 257 CA GLU A 16 5.748 -8.527 -5.474 1.00 11.50 C ATOM 258 C GLU A 16 6.016 -7.186 -6.213 1.00 10.13 C ATOM 259 O GLU A 16 5.264 -6.690 -7.020 1.00 9.83 O ATOM 260 CB GLU A 16 5.738 -9.608 -6.570 1.00 17.22 C ATOM 261 CG GLU A 16 7.014 -9.580 -7.500 1.00 23.33 C ATOM 262 CD GLU A 16 7.117 -10.814 -8.341 1.00 26.99 C ATOM 263 OE1 GLU A 16 7.349 -11.937 -7.803 1.00 28.86 O ATOM 264 OE2 GLU A 16 7.048 -10.676 -9.581 1.00 28.90 O ATOM 0 H GLU A 16 3.661 -8.750 -5.417 1.00 11.04 H new ATOM 0 HA GLU A 16 6.512 -8.650 -4.707 1.00 11.50 H new ATOM 0 HB2 GLU A 16 5.663 -10.589 -6.100 1.00 17.22 H new ATOM 0 HB3 GLU A 16 4.848 -9.481 -7.186 1.00 17.22 H new ATOM 0 HG2 GLU A 16 6.974 -8.703 -8.146 1.00 23.33 H new ATOM 0 HG3 GLU A 16 7.909 -9.483 -6.886 1.00 23.33 H new ATOM 271 N VAL A 17 7.233 -6.616 -5.878 1.00 8.99 N ATOM 272 CA VAL A 17 7.578 -5.223 -6.081 1.00 8.85 C ATOM 273 C VAL A 17 9.029 -5.002 -6.180 1.00 8.04 C ATOM 274 O VAL A 17 9.838 -5.782 -5.656 1.00 8.99 O ATOM 275 CB VAL A 17 7.081 -4.278 -4.989 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.562 -3.950 -5.188 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.161 -4.882 -3.577 1.00 10.54 C ATOM 0 H VAL A 17 7.989 -7.154 -5.454 1.00 8.99 H new ATOM 0 HA VAL A 17 7.074 -4.994 -7.020 1.00 8.85 H new ATOM 0 HB VAL A 17 7.726 -3.404 -5.072 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.229 -3.275 -4.399 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.417 -3.474 -6.158 1.00 12.05 H new ATOM 0 HG13 VAL A 17 4.982 -4.872 -5.146 1.00 12.05 H new ATOM 0 HG21 VAL A 17 6.793 -4.158 -2.850 1.00 10.54 H new ATOM 0 HG22 VAL A 17 6.551 -5.784 -3.532 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.196 -5.133 -3.347 1.00 10.54 H new ATOM 287 N GLU A 18 9.440 -3.808 -6.746 1.00 7.29 N ATOM 288 CA GLU A 18 10.789 -3.228 -6.619 1.00 7.08 C ATOM 289 C GLU A 18 10.730 -2.023 -5.626 1.00 6.45 C ATOM 290 O GLU A 18 9.594 -1.572 -5.402 1.00 5.28 O ATOM 291 CB GLU A 18 11.294 -2.840 -8.033 1.00 10.28 C ATOM 292 CG GLU A 18 11.170 -4.056 -8.979 1.00 12.65 C ATOM 293 CD GLU A 18 11.683 -3.818 -10.341 1.00 14.15 C ATOM 294 OE1 GLU A 18 11.313 -2.793 -10.955 1.00 14.33 O ATOM 295 OE2 GLU A 18 12.528 -4.626 -10.868 1.00 18.17 O ATOM 0 H GLU A 18 8.814 -3.231 -7.308 1.00 7.29 H new ATOM 0 HA GLU A 18 11.502 -3.942 -6.207 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.713 -2.004 -8.421 1.00 10.28 H new ATOM 0 HB3 GLU A 18 12.332 -2.510 -7.982 1.00 10.28 H new ATOM 0 HG2 GLU A 18 11.708 -4.898 -8.543 1.00 12.65 H new ATOM 0 HG3 GLU A 18 10.121 -4.346 -9.044 1.00 12.65 H new ATOM 302 N PRO A 19 11.825 -1.567 -5.115 1.00 7.24 N ATOM 303 CA PRO A 19 11.770 -0.417 -4.196 1.00 7.07 C ATOM 304 C PRO A 19 11.602 0.899 -4.933 1.00 6.65 C ATOM 305 O PRO A 19 11.383 1.921 -4.258 1.00 6.37 O ATOM 306 CB PRO A 19 13.009 -0.502 -3.381 1.00 7.61 C ATOM 307 CG PRO A 19 14.029 -1.263 -4.303 1.00 8.16 C ATOM 308 CD PRO A 19 13.090 -2.285 -5.008 1.00 7.49 C ATOM 0 HA PRO A 19 10.893 -0.451 -3.550 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.377 0.488 -3.113 1.00 7.61 H new ATOM 0 HB3 PRO A 19 12.836 -1.041 -2.449 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.520 -0.597 -5.013 1.00 8.16 H new ATOM 0 HG3 PRO A 19 14.816 -1.754 -3.730 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.473 -2.572 -5.987 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.984 -3.201 -4.426 1.00 7.49 H new ATOM 316 N SER A 20 11.575 0.892 -6.284 1.00 6.80 N ATOM 317 CA SER A 20 11.315 2.027 -7.098 1.00 6.28 C ATOM 318 C SER A 20 9.868 2.106 -7.591 1.00 8.45 C ATOM 319 O SER A 20 9.558 3.144 -8.233 1.00 7.26 O ATOM 320 CB SER A 20 12.329 2.068 -8.282 1.00 8.57 C ATOM 321 OG SER A 20 12.370 0.780 -8.900 1.00 11.13 O ATOM 0 H SER A 20 11.745 0.046 -6.827 1.00 6.80 H new ATOM 0 HA SER A 20 11.452 2.911 -6.475 1.00 6.28 H new ATOM 0 HB2 SER A 20 12.031 2.825 -9.007 1.00 8.57 H new ATOM 0 HB3 SER A 20 13.320 2.345 -7.921 1.00 8.57 H new ATOM 0 HG SER A 20 13.004 0.796 -9.647 1.00 11.13 H new ATOM 327 N ASP A 21 8.937 1.123 -7.298 1.00 7.50 N ATOM 328 CA ASP A 21 7.567 1.291 -7.439 1.00 7.70 C ATOM 329 C ASP A 21 6.917 2.272 -6.549 1.00 7.08 C ATOM 330 O ASP A 21 7.157 2.382 -5.320 1.00 8.11 O ATOM 331 CB ASP A 21 6.899 -0.074 -7.302 1.00 11.00 C ATOM 332 CG ASP A 21 7.406 -0.952 -8.456 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.509 -0.503 -9.648 1.00 14.36 O ATOM 334 OD2 ASP A 21 7.551 -2.165 -8.166 1.00 18.03 O ATOM 0 H ASP A 21 9.198 0.199 -6.955 1.00 7.50 H new ATOM 0 HA ASP A 21 7.431 1.728 -8.428 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.143 -0.526 -6.340 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.814 0.024 -7.342 1.00 11.00 H new ATOM 339 N THR A 22 6.024 3.086 -7.182 1.00 5.37 N ATOM 340 CA THR A 22 5.346 4.195 -6.534 1.00 6.01 C ATOM 341 C THR A 22 4.127 3.749 -5.757 1.00 8.01 C ATOM 342 O THR A 22 3.567 2.685 -6.045 1.00 8.11 O ATOM 343 CB THR A 22 4.907 5.304 -7.464 1.00 8.92 C ATOM 344 OG1 THR A 22 4.228 4.828 -8.634 1.00 10.22 O ATOM 345 CG2 THR A 22 6.055 6.212 -7.896 1.00 9.65 C ATOM 0 H THR A 22 5.768 2.971 -8.163 1.00 5.37 H new ATOM 0 HA THR A 22 6.112 4.591 -5.867 1.00 6.01 H new ATOM 0 HB THR A 22 4.204 5.885 -6.866 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.968 5.589 -9.194 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.675 6.987 -8.562 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.502 6.676 -7.017 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.809 5.622 -8.418 1.00 9.65 H new ATOM 353 N ILE A 23 3.659 4.526 -4.800 1.00 8.32 N ATOM 354 CA ILE A 23 2.457 4.159 -4.049 1.00 9.92 C ATOM 355 C ILE A 23 1.228 4.038 -4.939 1.00 10.01 C ATOM 356 O ILE A 23 0.405 3.116 -4.700 1.00 8.71 O ATOM 357 CB ILE A 23 2.325 5.110 -2.853 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.592 5.095 -1.994 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.159 4.700 -1.977 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.102 3.692 -1.587 1.00 12.30 C ATOM 0 H ILE A 23 4.083 5.410 -4.520 1.00 8.32 H new ATOM 0 HA ILE A 23 2.549 3.151 -3.644 1.00 9.92 H new ATOM 0 HB ILE A 23 2.165 6.111 -3.253 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.385 5.607 -2.538 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.403 5.671 -1.088 1.00 11.38 H new ATOM 0 HG21 ILE A 23 1.079 5.385 -1.133 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.238 4.732 -2.559 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.320 3.687 -1.608 1.00 10.90 H new ATOM 0 HD11 ILE A 23 5.003 3.794 -0.981 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.333 3.179 -1.010 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.330 3.114 -2.482 1.00 12.30 H new ATOM 372 N GLU A 24 1.010 4.863 -6.007 1.00 9.54 N ATOM 373 CA GLU A 24 0.085 4.585 -7.115 1.00 11.81 C ATOM 374 C GLU A 24 0.158 3.201 -7.797 1.00 11.14 C ATOM 375 O GLU A 24 -0.906 2.584 -7.989 1.00 10.62 O ATOM 376 CB GLU A 24 0.384 5.637 -8.211 1.00 19.24 C ATOM 377 CG GLU A 24 -0.551 5.667 -9.466 1.00 27.76 C ATOM 378 CD GLU A 24 -0.324 6.849 -10.411 1.00 32.92 C ATOM 379 OE1 GLU A 24 0.688 7.577 -10.235 1.00 36.51 O ATOM 380 OE2 GLU A 24 -1.101 6.952 -11.391 1.00 34.80 O ATOM 0 H GLU A 24 1.491 5.757 -6.110 1.00 9.54 H new ATOM 0 HA GLU A 24 -0.907 4.616 -6.664 1.00 11.81 H new ATOM 0 HB2 GLU A 24 0.354 6.623 -7.747 1.00 19.24 H new ATOM 0 HB3 GLU A 24 1.405 5.479 -8.558 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -0.413 4.742 -10.026 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -1.587 5.684 -9.129 1.00 27.76 H new ATOM 387 N ASN A 25 1.369 2.694 -8.025 1.00 9.43 N ATOM 388 CA ASN A 25 1.578 1.437 -8.633 1.00 10.96 C ATOM 389 C ASN A 25 1.462 0.250 -7.687 1.00 9.68 C ATOM 390 O ASN A 25 0.901 -0.804 -7.995 1.00 9.33 O ATOM 391 CB ASN A 25 2.974 1.444 -9.364 1.00 16.78 C ATOM 392 CG ASN A 25 3.197 0.260 -10.279 1.00 22.31 C ATOM 393 OD1 ASN A 25 2.295 -0.224 -10.956 1.00 25.66 O ATOM 394 ND2 ASN A 25 4.470 -0.213 -10.403 1.00 24.70 N ATOM 0 H ASN A 25 2.232 3.178 -7.777 1.00 9.43 H new ATOM 0 HA ASN A 25 0.770 1.297 -9.351 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.063 2.361 -9.946 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.765 1.464 -8.614 1.00 16.78 H new ATOM 0 HD21 ASN A 25 4.672 -0.968 -11.058 1.00 24.70 H new ATOM 0 HD22 ASN A 25 5.220 0.189 -9.841 1.00 24.70 H new ATOM 401 N VAL A 26 1.883 0.451 -6.413 1.00 6.52 N ATOM 402 CA VAL A 26 1.410 -0.408 -5.339 1.00 5.53 C ATOM 403 C VAL A 26 -0.099 -0.572 -5.101 1.00 4.42 C ATOM 404 O VAL A 26 -0.559 -1.725 -5.194 1.00 3.40 O ATOM 405 CB VAL A 26 2.064 -0.150 -4.002 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.732 -1.075 -2.802 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.610 0.010 -4.114 1.00 8.12 C ATOM 0 H VAL A 26 2.532 1.184 -6.126 1.00 6.52 H new ATOM 0 HA VAL A 26 1.733 -1.353 -5.774 1.00 5.53 H new ATOM 0 HB VAL A 26 1.576 0.790 -3.743 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.288 -0.746 -1.924 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.663 -1.030 -2.592 1.00 7.25 H new ATOM 0 HG13 VAL A 26 2.011 -2.100 -3.045 1.00 7.25 H new ATOM 0 HG21 VAL A 26 4.029 0.194 -3.125 1.00 8.12 H new ATOM 0 HG22 VAL A 26 4.041 -0.902 -4.527 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.842 0.850 -4.768 1.00 8.12 H new ATOM 417 N LYS A 27 -0.969 0.467 -5.015 1.00 2.64 N ATOM 418 CA LYS A 27 -2.458 0.246 -4.906 1.00 4.14 C ATOM 419 C LYS A 27 -3.028 -0.455 -6.066 1.00 5.58 C ATOM 420 O LYS A 27 -3.960 -1.223 -5.975 1.00 4.11 O ATOM 421 CB LYS A 27 -3.271 1.540 -4.765 1.00 3.97 C ATOM 422 CG LYS A 27 -2.967 2.223 -3.410 1.00 7.45 C ATOM 423 CD LYS A 27 -3.821 3.506 -3.183 1.00 9.02 C ATOM 424 CE LYS A 27 -3.358 4.694 -4.046 1.00 12.90 C ATOM 425 NZ LYS A 27 -4.203 5.860 -3.864 1.00 15.47 N ATOM 0 H LYS A 27 -0.687 1.447 -5.018 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.539 -0.357 -4.002 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -3.031 2.219 -5.584 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.336 1.318 -4.837 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -3.155 1.517 -2.601 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.909 2.482 -3.367 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -4.865 3.286 -3.407 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -3.773 3.787 -2.131 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -2.329 4.948 -3.791 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -3.363 4.403 -5.096 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.781 6.674 -4.355 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -5.147 5.669 -4.257 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.287 6.073 -2.850 1.00 15.47 H new ATOM 439 N ALA A 28 -2.468 -0.196 -7.329 1.00 6.61 N ATOM 440 CA ALA A 28 -2.867 -0.835 -8.563 1.00 7.74 C ATOM 441 C ALA A 28 -2.503 -2.345 -8.497 1.00 9.17 C ATOM 442 O ALA A 28 -3.311 -3.197 -8.896 1.00 11.45 O ATOM 443 CB ALA A 28 -2.045 -0.219 -9.699 1.00 7.68 C ATOM 0 H ALA A 28 -1.718 0.483 -7.461 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.938 -0.705 -8.721 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.326 -0.683 -10.644 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.239 0.852 -9.749 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.984 -0.387 -9.513 1.00 7.68 H new ATOM 449 N LYS A 29 -1.326 -2.734 -7.901 1.00 8.96 N ATOM 450 CA LYS A 29 -1.038 -4.131 -7.546 1.00 7.90 C ATOM 451 C LYS A 29 -2.016 -4.760 -6.618 1.00 6.92 C ATOM 452 O LYS A 29 -2.363 -5.946 -6.742 1.00 6.87 O ATOM 453 CB LYS A 29 0.395 -4.343 -6.984 1.00 10.28 C ATOM 454 CG LYS A 29 1.489 -4.151 -8.077 1.00 14.94 C ATOM 455 CD LYS A 29 2.921 -3.869 -7.597 1.00 19.69 C ATOM 456 CE LYS A 29 3.917 -3.652 -8.706 1.00 22.63 C ATOM 457 NZ LYS A 29 4.427 -4.936 -9.147 1.00 24.98 N ATOM 0 H LYS A 29 -0.575 -2.085 -7.665 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.127 -4.637 -8.508 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.571 -3.642 -6.168 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.475 -5.346 -6.565 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.511 -5.049 -8.694 1.00 14.94 H new ATOM 0 HG3 LYS A 29 1.181 -3.328 -8.722 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.910 -2.987 -6.957 1.00 19.69 H new ATOM 0 HD3 LYS A 29 3.256 -4.704 -6.982 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.445 -3.130 -9.538 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.736 -3.022 -8.358 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 5.232 -4.788 -9.788 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.738 -5.488 -8.322 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 3.677 -5.454 -9.647 1.00 24.98 H new ATOM 471 N ILE A 30 -2.506 -3.999 -5.608 1.00 4.57 N ATOM 472 CA ILE A 30 -3.583 -4.494 -4.799 1.00 5.58 C ATOM 473 C ILE A 30 -4.924 -4.659 -5.505 1.00 7.26 C ATOM 474 O ILE A 30 -5.557 -5.715 -5.303 1.00 9.46 O ATOM 475 CB ILE A 30 -3.621 -3.631 -3.512 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.326 -3.679 -2.728 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.850 -4.040 -2.604 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.408 -2.908 -1.484 1.00 2.00 C ATOM 0 H ILE A 30 -2.166 -3.070 -5.360 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.382 -5.534 -4.541 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.746 -2.596 -3.831 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.081 -4.715 -2.497 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.515 -3.289 -3.343 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.860 -3.423 -1.705 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.777 -3.890 -3.157 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.761 -5.089 -2.323 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.458 -2.970 -0.954 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.627 -1.866 -1.716 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.201 -3.314 -0.856 1.00 2.00 H new ATOM 490 N GLN A 31 -5.291 -3.762 -6.386 1.00 7.06 N ATOM 491 CA GLN A 31 -6.550 -3.955 -7.209 1.00 8.67 C ATOM 492 C GLN A 31 -6.524 -5.150 -8.055 1.00 10.90 C ATOM 493 O GLN A 31 -7.517 -5.872 -8.199 1.00 9.63 O ATOM 494 CB GLN A 31 -6.756 -2.716 -8.194 1.00 9.12 C ATOM 495 CG GLN A 31 -8.180 -2.701 -8.784 1.00 10.76 C ATOM 496 CD GLN A 31 -8.445 -1.672 -9.951 1.00 13.78 C ATOM 497 OE1 GLN A 31 -7.545 -1.126 -10.564 1.00 14.48 O ATOM 498 NE2 GLN A 31 -9.723 -1.377 -10.238 1.00 14.76 N ATOM 0 H GLN A 31 -4.780 -2.900 -6.579 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.354 -4.053 -6.480 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.573 -1.786 -7.655 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -6.026 -2.765 -9.002 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.408 -3.701 -9.152 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.882 -2.491 -7.977 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -10.479 -1.833 -9.726 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -9.938 -0.697 -10.968 1.00 14.76 H new ATOM 507 N ASP A 32 -5.361 -5.475 -8.631 1.00 10.93 N ATOM 508 CA ASP A 32 -5.101 -6.664 -9.424 1.00 14.01 C ATOM 509 C ASP A 32 -5.373 -7.995 -8.706 1.00 14.04 C ATOM 510 O ASP A 32 -6.033 -8.888 -9.236 1.00 13.39 O ATOM 511 CB ASP A 32 -3.690 -6.586 -9.975 1.00 18.01 C ATOM 512 CG ASP A 32 -3.417 -7.583 -11.034 1.00 24.33 C ATOM 513 OD1 ASP A 32 -3.966 -7.277 -12.107 1.00 26.29 O ATOM 514 OD2 ASP A 32 -2.779 -8.628 -10.889 1.00 25.17 O ATOM 0 H ASP A 32 -4.538 -4.879 -8.547 1.00 10.93 H new ATOM 0 HA ASP A 32 -5.823 -6.669 -10.241 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.519 -5.586 -10.374 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -2.981 -6.729 -9.160 1.00 18.01 H new ATOM 519 N LYS A 33 -4.873 -8.150 -7.487 1.00 14.22 N ATOM 520 CA LYS A 33 -5.096 -9.325 -6.645 1.00 14.00 C ATOM 521 C LYS A 33 -6.481 -9.264 -5.849 1.00 12.37 C ATOM 522 O LYS A 33 -7.262 -10.236 -5.959 1.00 12.17 O ATOM 523 CB LYS A 33 -3.995 -9.457 -5.555 1.00 18.62 C ATOM 524 CG LYS A 33 -3.965 -10.688 -4.621 1.00 24.00 C ATOM 525 CD LYS A 33 -2.697 -10.755 -3.766 1.00 27.61 C ATOM 526 CE LYS A 33 -1.264 -10.811 -4.472 1.00 27.64 C ATOM 527 NZ LYS A 33 -1.098 -11.941 -5.410 1.00 30.06 N ATOM 0 H LYS A 33 -4.285 -7.445 -7.042 1.00 14.22 H new ATOM 0 HA LYS A 33 -5.090 -10.166 -7.338 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -3.032 -9.414 -6.063 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.061 -8.573 -4.921 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -4.837 -10.664 -3.968 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -4.041 -11.595 -5.221 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.702 -9.885 -3.109 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.780 -11.636 -3.129 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -1.100 -9.878 -5.011 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.494 -10.875 -3.703 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -0.146 -11.909 -5.827 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -1.222 -12.838 -4.898 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -1.809 -11.872 -6.166 1.00 30.06 H new ATOM 541 N GLU A 34 -6.777 -8.141 -5.188 1.00 10.11 N ATOM 542 CA GLU A 34 -7.814 -8.044 -4.165 1.00 10.07 C ATOM 543 C GLU A 34 -9.160 -7.342 -4.560 1.00 9.32 C ATOM 544 O GLU A 34 -10.198 -7.385 -3.884 1.00 11.61 O ATOM 545 CB GLU A 34 -7.262 -7.259 -2.944 1.00 14.77 C ATOM 546 CG GLU A 34 -6.242 -8.091 -2.189 1.00 18.75 C ATOM 547 CD GLU A 34 -6.920 -9.274 -1.593 1.00 22.28 C ATOM 548 OE1 GLU A 34 -7.483 -9.170 -0.498 1.00 25.19 O ATOM 549 OE2 GLU A 34 -6.684 -10.408 -2.094 1.00 21.95 O ATOM 0 H GLU A 34 -6.292 -7.259 -5.354 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.059 -9.088 -3.969 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -6.803 -6.329 -3.280 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.082 -6.988 -2.279 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -5.448 -8.413 -2.862 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -5.774 -7.493 -1.407 1.00 18.75 H new ATOM 556 N GLY A 35 -9.215 -6.583 -5.726 1.00 7.22 N ATOM 557 CA GLY A 35 -10.508 -6.320 -6.391 1.00 6.29 C ATOM 558 C GLY A 35 -11.003 -4.884 -6.053 1.00 6.93 C ATOM 559 O GLY A 35 -11.967 -4.407 -6.620 1.00 7.41 O ATOM 0 H GLY A 35 -8.403 -6.171 -6.186 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.400 -6.431 -7.470 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.247 -7.053 -6.068 1.00 6.29 H new ATOM 563 N ILE A 36 -10.336 -4.241 -5.055 1.00 5.86 N ATOM 564 CA ILE A 36 -10.612 -2.913 -4.462 1.00 6.07 C ATOM 565 C ILE A 36 -10.074 -1.785 -5.362 1.00 6.36 C ATOM 566 O ILE A 36 -8.862 -1.756 -5.531 1.00 6.18 O ATOM 567 CB ILE A 36 -9.981 -2.753 -3.050 1.00 7.47 C ATOM 568 CG1 ILE A 36 -10.214 -4.083 -2.250 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.570 -1.487 -2.348 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.748 -4.089 -0.736 1.00 9.49 C ATOM 0 H ILE A 36 -9.527 -4.678 -4.613 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.696 -2.842 -4.374 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.905 -2.591 -3.109 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -11.278 -4.317 -2.280 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.695 -4.889 -2.770 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -10.125 -1.379 -1.359 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -10.346 -0.603 -2.945 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.650 -1.595 -2.250 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.962 -5.062 -0.293 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.677 -3.895 -0.684 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -10.284 -3.314 -0.187 1.00 9.49 H new ATOM 582 N PRO A 37 -10.807 -0.816 -5.969 1.00 8.65 N ATOM 583 CA PRO A 37 -10.173 0.319 -6.754 1.00 9.18 C ATOM 584 C PRO A 37 -9.286 1.152 -5.942 1.00 9.85 C ATOM 585 O PRO A 37 -9.615 1.370 -4.745 1.00 8.51 O ATOM 586 CB PRO A 37 -11.416 1.049 -7.361 1.00 11.42 C ATOM 587 CG PRO A 37 -12.491 0.828 -6.333 1.00 9.27 C ATOM 588 CD PRO A 37 -12.210 -0.574 -5.687 1.00 8.33 C ATOM 0 HA PRO A 37 -9.484 -0.010 -7.532 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.222 2.110 -7.516 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.694 0.631 -8.328 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -12.473 1.614 -5.578 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -13.479 0.852 -6.794 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.406 -0.566 -4.615 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.844 -1.348 -6.121 1.00 8.33 H new ATOM 596 N PRO A 38 -8.160 1.744 -6.368 1.00 8.71 N ATOM 597 CA PRO A 38 -7.244 2.493 -5.517 1.00 9.08 C ATOM 598 C PRO A 38 -7.735 3.651 -4.690 1.00 9.28 C ATOM 599 O PRO A 38 -7.185 3.949 -3.668 1.00 6.50 O ATOM 600 CB PRO A 38 -6.233 3.017 -6.553 1.00 10.31 C ATOM 601 CG PRO A 38 -6.105 1.849 -7.551 1.00 10.81 C ATOM 602 CD PRO A 38 -7.538 1.376 -7.614 1.00 12.00 C ATOM 0 HA PRO A 38 -6.910 1.825 -4.723 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.591 3.924 -7.040 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.275 3.259 -6.093 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.734 2.174 -8.523 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.428 1.072 -7.194 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.059 1.835 -8.455 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.581 0.297 -7.762 1.00 12.00 H new ATOM 610 N ASP A 39 -8.786 4.368 -5.196 1.00 11.20 N ATOM 611 CA ASP A 39 -9.540 5.487 -4.584 1.00 14.96 C ATOM 612 C ASP A 39 -10.211 5.050 -3.242 1.00 13.99 C ATOM 613 O ASP A 39 -10.444 5.866 -2.384 1.00 13.75 O ATOM 614 CB ASP A 39 -10.454 6.154 -5.619 1.00 24.16 C ATOM 615 CG ASP A 39 -9.614 6.747 -6.714 1.00 31.06 C ATOM 616 OD1 ASP A 39 -8.646 7.450 -6.403 1.00 35.55 O ATOM 617 OD2 ASP A 39 -9.873 6.415 -7.920 1.00 34.22 O ATOM 0 H ASP A 39 -9.151 4.151 -6.123 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.857 6.280 -4.281 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -11.148 5.423 -6.033 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -11.054 6.930 -5.144 1.00 24.16 H new ATOM 622 N GLN A 40 -10.469 3.739 -3.087 1.00 11.60 N ATOM 623 CA GLN A 40 -10.998 3.183 -1.805 1.00 10.76 C ATOM 624 C GLN A 40 -9.942 2.516 -0.983 1.00 8.01 C ATOM 625 O GLN A 40 -10.258 1.946 0.074 1.00 8.96 O ATOM 626 CB GLN A 40 -12.057 2.095 -2.214 1.00 11.14 C ATOM 627 CG GLN A 40 -13.308 2.861 -2.779 1.00 14.85 C ATOM 628 CD GLN A 40 -14.391 1.831 -3.195 1.00 16.11 C ATOM 629 OE1 GLN A 40 -14.575 0.679 -2.799 1.00 20.52 O ATOM 630 NE2 GLN A 40 -15.232 2.412 -4.089 1.00 18.16 N ATOM 0 H GLN A 40 -10.325 3.042 -3.818 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.408 3.994 -1.203 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.646 1.420 -2.965 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -12.334 1.484 -1.355 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.705 3.540 -2.024 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -13.020 3.470 -3.636 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -15.061 3.367 -4.404 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -16.035 1.893 -4.446 1.00 18.16 H new ATOM 639 N GLN A 41 -8.625 2.674 -1.250 1.00 6.52 N ATOM 640 CA GLN A 41 -7.533 2.103 -0.453 1.00 3.87 C ATOM 641 C GLN A 41 -6.703 3.230 0.164 1.00 4.79 C ATOM 642 O GLN A 41 -6.357 4.172 -0.564 1.00 6.34 O ATOM 643 CB GLN A 41 -6.573 1.348 -1.386 1.00 4.20 C ATOM 644 CG GLN A 41 -7.160 0.130 -2.156 1.00 3.20 C ATOM 645 CD GLN A 41 -6.069 -0.605 -2.893 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.885 -0.639 -2.502 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.440 -1.308 -3.953 1.00 7.13 N ATOM 0 H GLN A 41 -8.292 3.217 -2.047 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.965 1.455 0.310 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.182 2.056 -2.117 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.726 1.000 -0.794 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.654 -0.546 -1.458 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.918 0.469 -2.861 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.409 -1.279 -4.271 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.757 -1.879 -4.451 1.00 7.13 H new ATOM 656 N ARG A 42 -6.399 3.205 1.459 1.00 5.73 N ATOM 657 CA ARG A 42 -5.572 4.118 2.188 1.00 6.97 C ATOM 658 C ARG A 42 -4.445 3.366 2.801 1.00 7.15 C ATOM 659 O ARG A 42 -4.747 2.257 3.245 1.00 7.33 O ATOM 660 CB ARG A 42 -6.365 4.964 3.251 1.00 13.23 C ATOM 661 CG ARG A 42 -5.461 5.706 4.222 1.00 21.27 C ATOM 662 CD ARG A 42 -6.130 6.639 5.191 1.00 26.14 C ATOM 663 NE ARG A 42 -6.820 7.647 4.309 1.00 32.26 N ATOM 664 CZ ARG A 42 -8.114 7.915 4.336 1.00 34.32 C ATOM 665 NH1 ARG A 42 -9.008 7.125 4.951 1.00 35.30 N ATOM 666 NH2 ARG A 42 -8.531 8.937 3.624 1.00 36.39 N ATOM 0 H ARG A 42 -6.767 2.472 2.065 1.00 5.73 H new ATOM 0 HA ARG A 42 -5.179 4.853 1.486 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.999 5.684 2.733 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -7.025 4.303 3.812 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -4.898 4.968 4.794 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -4.738 6.279 3.642 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -6.841 6.112 5.827 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -5.405 7.116 5.851 1.00 26.14 H new ATOM 0 HE ARG A 42 -6.246 8.161 3.641 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -8.698 6.276 5.424 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -9.997 7.373 4.945 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -7.865 9.486 3.081 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -9.521 9.182 3.614 1.00 36.39 H new ATOM 680 N LEU A 43 -3.137 3.817 2.826 1.00 4.65 N ATOM 681 CA LEU A 43 -2.019 3.024 3.104 1.00 3.51 C ATOM 682 C LEU A 43 -1.221 3.621 4.243 1.00 5.56 C ATOM 683 O LEU A 43 -0.765 4.809 4.260 1.00 4.19 O ATOM 684 CB LEU A 43 -1.053 2.776 1.922 1.00 3.74 C ATOM 685 CG LEU A 43 -1.618 1.804 0.895 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.734 1.830 -0.399 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.770 0.366 1.409 1.00 6.41 C ATOM 0 H LEU A 43 -2.894 4.789 2.637 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.446 2.054 3.359 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.831 3.725 1.434 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.110 2.386 2.305 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.629 2.145 0.673 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -1.141 1.133 -1.132 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.731 2.836 -0.818 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.286 1.538 -0.149 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.178 -0.262 0.617 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -0.795 -0.018 1.710 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.445 0.355 2.265 1.00 6.41 H new ATOM 699 N ILE A 44 -0.976 2.700 5.194 1.00 4.58 N ATOM 700 CA ILE A 44 -0.314 3.097 6.485 1.00 5.55 C ATOM 701 C ILE A 44 1.046 2.231 6.776 1.00 5.46 C ATOM 702 O ILE A 44 1.144 0.991 6.639 1.00 6.04 O ATOM 703 CB ILE A 44 -1.338 3.137 7.686 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.723 3.764 7.273 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.710 3.958 8.916 1.00 7.39 C ATOM 706 CD1 ILE A 44 -2.758 5.291 6.914 1.00 13.90 C ATOM 0 H ILE A 44 -1.209 1.710 5.116 1.00 4.58 H new ATOM 0 HA ILE A 44 0.032 4.125 6.378 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.525 2.106 7.986 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -3.098 3.209 6.413 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -3.424 3.596 8.091 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.423 3.981 9.740 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.210 3.474 9.245 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.490 4.977 8.599 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.775 5.580 6.650 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -2.426 5.874 7.773 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.096 5.481 6.069 1.00 13.90 H new ATOM 718 N PHE A 45 2.090 2.995 7.159 1.00 6.75 N ATOM 719 CA PHE A 45 3.463 2.457 7.325 1.00 4.70 C ATOM 720 C PHE A 45 4.068 3.339 8.439 1.00 6.34 C ATOM 721 O PHE A 45 4.106 4.540 8.340 1.00 5.45 O ATOM 722 CB PHE A 45 4.171 2.344 5.945 1.00 5.51 C ATOM 723 CG PHE A 45 5.625 1.973 6.220 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.974 0.626 6.536 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.654 2.937 6.214 1.00 5.87 C ATOM 726 CE1 PHE A 45 7.292 0.285 7.005 1.00 6.68 C ATOM 727 CE2 PHE A 45 7.891 2.672 6.655 1.00 6.64 C ATOM 728 CZ PHE A 45 8.220 1.332 7.054 1.00 6.84 C ATOM 0 H PHE A 45 2.011 3.992 7.361 1.00 6.75 H new ATOM 0 HA PHE A 45 3.557 1.424 7.659 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.690 1.587 5.326 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.110 3.287 5.401 1.00 5.51 H new ATOM 0 HD1 PHE A 45 5.235 -0.153 6.421 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.437 3.926 5.840 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.550 -0.721 7.302 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.632 3.456 6.710 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.220 1.125 7.405 1.00 6.84 H new ATOM 738 N ALA A 46 4.511 2.724 9.539 1.00 6.53 N ATOM 739 CA ALA A 46 5.128 3.268 10.744 1.00 7.15 C ATOM 740 C ALA A 46 4.181 4.206 11.389 1.00 9.00 C ATOM 741 O ALA A 46 4.573 5.106 12.146 1.00 11.15 O ATOM 742 CB ALA A 46 6.492 3.955 10.461 1.00 8.99 C ATOM 0 H ALA A 46 4.434 1.709 9.610 1.00 6.53 H new ATOM 0 HA ALA A 46 5.345 2.440 11.419 1.00 7.15 H new ATOM 0 HB1 ALA A 46 6.905 4.341 11.393 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.183 3.229 10.031 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.347 4.777 9.760 1.00 8.99 H new ATOM 748 N GLY A 47 2.870 4.035 11.240 1.00 9.35 N ATOM 749 CA GLY A 47 1.888 4.951 11.749 1.00 11.68 C ATOM 750 C GLY A 47 1.569 6.182 11.055 1.00 11.14 C ATOM 751 O GLY A 47 0.627 6.909 11.440 1.00 13.93 O ATOM 0 H GLY A 47 2.466 3.236 10.751 1.00 9.35 H new ATOM 0 HA2 GLY A 47 0.957 4.393 11.849 1.00 11.68 H new ATOM 0 HA3 GLY A 47 2.204 5.227 12.755 1.00 11.68 H new ATOM 755 N LYS A 48 2.201 6.448 9.893 1.00 10.47 N ATOM 756 CA LYS A 48 2.093 7.659 9.135 1.00 8.82 C ATOM 757 C LYS A 48 1.485 7.343 7.765 1.00 7.68 C ATOM 758 O LYS A 48 1.776 6.311 7.171 1.00 6.47 O ATOM 759 CB LYS A 48 3.441 8.392 9.129 1.00 9.74 C ATOM 760 CG LYS A 48 4.627 7.545 8.734 1.00 14.14 C ATOM 761 CD LYS A 48 5.766 8.495 8.523 1.00 16.32 C ATOM 762 CE LYS A 48 7.014 7.753 8.028 1.00 20.04 C ATOM 763 NZ LYS A 48 8.186 8.625 7.853 1.00 23.92 N ATOM 0 H LYS A 48 2.828 5.772 9.456 1.00 10.47 H new ATOM 0 HA LYS A 48 1.404 8.369 9.592 1.00 8.82 H new ATOM 0 HB2 LYS A 48 3.374 9.238 8.445 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.620 8.800 10.124 1.00 9.74 H new ATOM 0 HG2 LYS A 48 4.864 6.820 9.512 1.00 14.14 H new ATOM 0 HG3 LYS A 48 4.417 6.981 7.825 1.00 14.14 H new ATOM 0 HD2 LYS A 48 5.480 9.257 7.798 1.00 16.32 H new ATOM 0 HD3 LYS A 48 5.991 9.012 9.456 1.00 16.32 H new ATOM 0 HE2 LYS A 48 7.262 6.963 8.737 1.00 20.04 H new ATOM 0 HE3 LYS A 48 6.786 7.269 7.078 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 8.992 8.060 7.517 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 7.967 9.365 7.155 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 8.428 9.068 8.762 1.00 23.92 H new ATOM 777 N GLN A 49 0.560 8.249 7.175 1.00 8.89 N ATOM 778 CA GLN A 49 0.011 8.020 5.873 1.00 7.18 C ATOM 779 C GLN A 49 0.999 8.256 4.766 1.00 8.23 C ATOM 780 O GLN A 49 1.800 9.203 4.843 1.00 9.70 O ATOM 781 CB GLN A 49 -1.161 9.020 5.758 1.00 11.67 C ATOM 782 CG GLN A 49 -2.237 8.787 4.704 1.00 15.82 C ATOM 783 CD GLN A 49 -3.452 9.707 4.718 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.588 9.340 5.000 1.00 23.23 O ATOM 785 NE2 GLN A 49 -3.194 11.007 4.433 1.00 20.67 N ATOM 0 H GLN A 49 0.232 9.103 7.627 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.294 6.979 5.767 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.656 9.059 6.729 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -0.734 10.007 5.578 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -1.768 8.865 3.723 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.591 7.761 4.807 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -2.245 11.299 4.200 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -3.949 11.693 4.452 1.00 20.67 H new ATOM 794 N LEU A 50 0.912 7.372 3.739 1.00 6.51 N ATOM 795 CA LEU A 50 1.763 7.436 2.593 1.00 7.41 C ATOM 796 C LEU A 50 1.003 8.117 1.452 1.00 8.27 C ATOM 797 O LEU A 50 -0.209 8.356 1.535 1.00 8.34 O ATOM 798 CB LEU A 50 2.233 6.034 2.039 1.00 7.13 C ATOM 799 CG LEU A 50 2.849 5.143 3.182 1.00 7.53 C ATOM 800 CD1 LEU A 50 3.380 3.827 2.608 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.960 5.906 3.906 1.00 9.11 C ATOM 0 H LEU A 50 0.239 6.606 3.712 1.00 6.51 H new ATOM 0 HA LEU A 50 2.649 7.980 2.921 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.386 5.516 1.588 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.972 6.181 1.252 1.00 7.13 H new ATOM 0 HG LEU A 50 2.066 4.908 3.903 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.802 3.224 3.412 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.564 3.281 2.135 1.00 8.14 H new ATOM 0 HD13 LEU A 50 4.153 4.038 1.869 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.378 5.279 4.694 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.744 6.167 3.196 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.550 6.816 4.345 1.00 9.11 H new ATOM 813 N GLU A 51 1.719 8.506 0.403 1.00 9.43 N ATOM 814 CA GLU A 51 1.209 9.374 -0.650 1.00 11.90 C ATOM 815 C GLU A 51 1.441 8.737 -2.081 1.00 11.49 C ATOM 816 O GLU A 51 2.568 8.329 -2.374 1.00 9.88 O ATOM 817 CB GLU A 51 1.894 10.802 -0.584 1.00 16.56 C ATOM 818 CG GLU A 51 1.472 11.537 0.655 1.00 26.06 C ATOM 819 CD GLU A 51 2.082 13.011 0.698 1.00 29.86 C ATOM 820 OE1 GLU A 51 1.872 13.780 -0.252 1.00 33.44 O ATOM 821 OE2 GLU A 51 2.895 13.328 1.582 1.00 32.13 O ATOM 0 H GLU A 51 2.688 8.221 0.259 1.00 9.43 H new ATOM 0 HA GLU A 51 0.137 9.486 -0.489 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.978 10.691 -0.595 1.00 16.56 H new ATOM 0 HB3 GLU A 51 1.623 11.382 -1.467 1.00 16.56 H new ATOM 0 HG2 GLU A 51 0.384 11.591 0.694 1.00 26.06 H new ATOM 0 HG3 GLU A 51 1.795 10.983 1.536 1.00 26.06 H new ATOM 828 N ASP A 52 0.425 8.729 -2.974 1.00 12.71 N ATOM 829 CA ASP A 52 0.369 8.211 -4.350 1.00 16.56 C ATOM 830 C ASP A 52 1.673 8.445 -5.147 1.00 15.83 C ATOM 831 O ASP A 52 2.192 7.552 -5.753 1.00 17.21 O ATOM 832 CB ASP A 52 -0.812 8.815 -5.151 1.00 21.05 C ATOM 833 CG ASP A 52 -2.115 8.776 -4.414 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.249 9.415 -3.330 1.00 25.82 O ATOM 835 OD2 ASP A 52 -3.019 7.988 -4.871 1.00 28.37 O ATOM 0 H ASP A 52 -0.475 9.132 -2.712 1.00 12.71 H new ATOM 0 HA ASP A 52 0.225 7.137 -4.233 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.578 9.849 -5.404 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -0.919 8.273 -6.091 1.00 21.05 H new ATOM 840 N GLY A 53 2.211 9.685 -5.313 1.00 15.00 N ATOM 841 CA GLY A 53 3.361 9.965 -6.101 1.00 11.77 C ATOM 842 C GLY A 53 4.698 9.594 -5.633 1.00 11.10 C ATOM 843 O GLY A 53 5.656 9.741 -6.408 1.00 11.25 O ATOM 0 H GLY A 53 1.816 10.516 -4.873 1.00 15.00 H new ATOM 0 HA2 GLY A 53 3.214 9.481 -7.066 1.00 11.77 H new ATOM 0 HA3 GLY A 53 3.372 11.040 -6.282 1.00 11.77 H new ATOM 847 N ARG A 54 4.957 9.195 -4.387 1.00 8.53 N ATOM 848 CA ARG A 54 6.334 8.878 -3.975 1.00 9.05 C ATOM 849 C ARG A 54 6.626 7.384 -4.195 1.00 8.96 C ATOM 850 O ARG A 54 5.702 6.578 -4.317 1.00 11.60 O ATOM 851 CB ARG A 54 6.476 9.110 -2.413 1.00 7.97 C ATOM 852 CG ARG A 54 5.952 10.494 -1.963 1.00 9.62 C ATOM 853 CD ARG A 54 6.620 11.715 -2.568 1.00 12.20 C ATOM 854 NE ARG A 54 6.304 12.967 -1.712 1.00 18.23 N ATOM 855 CZ ARG A 54 5.115 13.290 -1.293 1.00 22.08 C ATOM 856 NH1 ARG A 54 4.061 12.961 -1.985 1.00 25.50 N ATOM 857 NH2 ARG A 54 5.012 13.971 -0.142 1.00 23.38 N ATOM 0 H ARG A 54 4.253 9.084 -3.657 1.00 8.53 H new ATOM 0 HA ARG A 54 7.010 9.506 -4.555 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.930 8.330 -1.883 1.00 7.97 H new ATOM 0 HB3 ARG A 54 7.524 9.014 -2.130 1.00 7.97 H new ATOM 0 HG2 ARG A 54 4.887 10.543 -2.191 1.00 9.62 H new ATOM 0 HG3 ARG A 54 6.050 10.557 -0.879 1.00 9.62 H new ATOM 0 HD2 ARG A 54 7.698 11.562 -2.620 1.00 12.20 H new ATOM 0 HD3 ARG A 54 6.269 11.864 -3.589 1.00 12.20 H new ATOM 0 HE ARG A 54 7.080 13.579 -1.460 1.00 18.23 H new ATOM 0 HH11 ARG A 54 4.165 12.448 -2.860 1.00 25.50 H new ATOM 0 HH12 ARG A 54 3.132 13.217 -1.652 1.00 25.50 H new ATOM 0 HH21 ARG A 54 5.852 14.222 0.379 1.00 23.38 H new ATOM 0 HH22 ARG A 54 4.093 14.238 0.212 1.00 23.38 H new ATOM 871 N THR A 55 7.897 6.938 -4.043 1.00 9.05 N ATOM 872 CA THR A 55 8.217 5.495 -4.226 1.00 9.03 C ATOM 873 C THR A 55 8.351 4.756 -2.873 1.00 8.15 C ATOM 874 O THR A 55 8.463 5.378 -1.790 1.00 5.91 O ATOM 875 CB THR A 55 9.527 5.208 -4.964 1.00 11.15 C ATOM 876 OG1 THR A 55 10.671 5.706 -4.299 1.00 11.95 O ATOM 877 CG2 THR A 55 9.492 5.906 -6.289 1.00 11.71 C ATOM 0 H THR A 55 8.693 7.529 -3.803 1.00 9.05 H new ATOM 0 HA THR A 55 7.375 5.143 -4.822 1.00 9.03 H new ATOM 0 HB THR A 55 9.603 4.123 -5.037 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.558 6.664 -4.127 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.419 5.711 -6.828 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.649 5.537 -6.873 1.00 11.71 H new ATOM 0 HG23 THR A 55 9.382 6.979 -6.132 1.00 11.71 H new ATOM 885 N LEU A 56 8.461 3.392 -2.819 1.00 6.91 N ATOM 886 CA LEU A 56 8.630 2.566 -1.630 1.00 8.29 C ATOM 887 C LEU A 56 9.909 2.904 -0.839 1.00 8.05 C ATOM 888 O LEU A 56 9.864 2.991 0.410 1.00 10.17 O ATOM 889 CB LEU A 56 8.585 1.106 -2.121 1.00 6.60 C ATOM 890 CG LEU A 56 7.237 0.516 -2.492 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.232 -0.955 -2.865 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.171 0.744 -1.303 1.00 8.64 C ATOM 0 H LEU A 56 8.429 2.828 -3.668 1.00 6.91 H new ATOM 0 HA LEU A 56 7.835 2.754 -0.909 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.234 1.028 -2.993 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.020 0.479 -1.343 1.00 6.60 H new ATOM 0 HG LEU A 56 6.961 1.056 -3.397 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.216 -1.265 -3.110 1.00 9.85 H new ATOM 0 HD12 LEU A 56 7.878 -1.114 -3.728 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.598 -1.545 -2.025 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.211 0.314 -1.588 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.530 0.260 -0.395 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.051 1.812 -1.122 1.00 8.64 H new ATOM 904 N SER A 57 10.993 3.093 -1.526 1.00 8.92 N ATOM 905 CA SER A 57 12.206 3.593 -0.885 1.00 9.00 C ATOM 906 C SER A 57 12.246 4.945 -0.344 1.00 9.44 C ATOM 907 O SER A 57 13.008 5.238 0.567 1.00 10.91 O ATOM 908 CB SER A 57 13.377 3.350 -1.913 1.00 10.32 C ATOM 909 OG SER A 57 13.147 4.122 -3.110 1.00 13.59 O ATOM 0 H SER A 57 11.080 2.915 -2.527 1.00 8.92 H new ATOM 0 HA SER A 57 12.285 3.034 0.047 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.330 3.632 -1.465 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.442 2.290 -2.160 1.00 10.32 H new ATOM 0 HG SER A 57 12.576 3.613 -3.723 1.00 13.59 H new ATOM 915 N ASP A 58 11.477 5.907 -0.842 1.00 9.11 N ATOM 916 CA ASP A 58 11.451 7.251 -0.275 1.00 7.91 C ATOM 917 C ASP A 58 10.768 7.290 1.066 1.00 9.12 C ATOM 918 O ASP A 58 10.956 8.246 1.865 1.00 8.61 O ATOM 919 CB ASP A 58 10.574 8.132 -1.172 1.00 8.41 C ATOM 920 CG ASP A 58 11.129 8.498 -2.531 1.00 11.50 C ATOM 921 OD1 ASP A 58 12.239 8.821 -2.813 1.00 10.05 O ATOM 922 OD2 ASP A 58 10.310 8.190 -3.495 1.00 11.70 O ATOM 0 H ASP A 58 10.859 5.780 -1.643 1.00 9.11 H new ATOM 0 HA ASP A 58 12.487 7.580 -0.190 1.00 7.91 H new ATOM 0 HB2 ASP A 58 9.622 7.622 -1.321 1.00 8.41 H new ATOM 0 HB3 ASP A 58 10.360 9.055 -0.634 1.00 8.41 H new ATOM 927 N TYR A 59 10.062 6.254 1.444 1.00 7.97 N ATOM 928 CA TYR A 59 9.507 5.971 2.754 1.00 8.45 C ATOM 929 C TYR A 59 10.325 4.961 3.617 1.00 10.98 C ATOM 930 O TYR A 59 10.037 4.781 4.799 1.00 12.95 O ATOM 931 CB TYR A 59 8.098 5.383 2.511 1.00 7.94 C ATOM 932 CG TYR A 59 7.128 6.365 1.942 1.00 6.91 C ATOM 933 CD1 TYR A 59 7.042 7.576 2.700 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.401 6.190 0.804 1.00 6.98 C ATOM 935 CE1 TYR A 59 6.151 8.546 2.314 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.563 7.208 0.388 1.00 6.52 C ATOM 937 CZ TYR A 59 5.410 8.394 1.156 1.00 6.76 C ATOM 938 OH TYR A 59 4.462 9.336 0.804 1.00 7.63 O ATOM 0 H TYR A 59 9.837 5.512 0.781 1.00 7.97 H new ATOM 0 HA TYR A 59 9.512 6.902 3.321 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.181 4.533 1.834 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.705 5.002 3.454 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.671 7.725 3.565 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.477 5.274 0.237 1.00 6.98 H new ATOM 0 HE1 TYR A 59 6.028 9.433 2.918 1.00 5.39 H new ATOM 0 HE2 TYR A 59 5.015 7.100 -0.537 1.00 6.52 H new ATOM 0 HH TYR A 59 4.733 10.215 1.143 1.00 7.63 H new ATOM 948 N ASN A 60 11.387 4.312 3.068 1.00 12.38 N ATOM 949 CA ASN A 60 12.173 3.286 3.732 1.00 13.94 C ATOM 950 C ASN A 60 11.450 1.955 3.788 1.00 14.16 C ATOM 951 O ASN A 60 11.717 1.145 4.662 1.00 14.26 O ATOM 952 CB ASN A 60 12.780 3.711 5.109 1.00 19.23 C ATOM 953 CG ASN A 60 13.615 4.993 4.943 1.00 22.65 C ATOM 954 OD1 ASN A 60 14.593 5.151 4.243 1.00 25.45 O ATOM 955 ND2 ASN A 60 13.233 6.012 5.730 1.00 24.09 N ATOM 0 H ASN A 60 11.714 4.509 2.122 1.00 12.38 H new ATOM 0 HA ASN A 60 13.046 3.148 3.094 1.00 13.94 H new ATOM 0 HB2 ASN A 60 11.981 3.878 5.832 1.00 19.23 H new ATOM 0 HB3 ASN A 60 13.404 2.909 5.504 1.00 19.23 H new ATOM 0 HD21 ASN A 60 13.761 6.885 5.726 1.00 24.09 H new ATOM 0 HD22 ASN A 60 12.415 5.913 6.331 1.00 24.09 H new ATOM 962 N ILE A 61 10.589 1.626 2.779 1.00 11.08 N ATOM 963 CA ILE A 61 9.886 0.348 2.617 1.00 11.78 C ATOM 964 C ILE A 61 10.814 -0.462 1.718 1.00 13.74 C ATOM 965 O ILE A 61 11.221 -0.120 0.635 1.00 14.60 O ATOM 966 CB ILE A 61 8.510 0.419 1.999 1.00 11.80 C ATOM 967 CG1 ILE A 61 7.629 1.250 3.011 1.00 11.56 C ATOM 968 CG2 ILE A 61 7.974 -0.993 1.763 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.253 1.546 2.371 1.00 11.42 C ATOM 0 H ILE A 61 10.367 2.284 2.032 1.00 11.08 H new ATOM 0 HA ILE A 61 9.691 -0.080 3.600 1.00 11.78 H new ATOM 0 HB ILE A 61 8.507 0.903 1.022 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.499 0.693 3.939 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.132 2.183 3.267 1.00 11.56 H new ATOM 0 HG21 ILE A 61 6.981 -0.935 1.317 1.00 13.29 H new ATOM 0 HG22 ILE A 61 8.644 -1.529 1.090 1.00 13.29 H new ATOM 0 HG23 ILE A 61 7.915 -1.523 2.713 1.00 13.29 H new ATOM 0 HD11 ILE A 61 5.643 2.120 3.069 1.00 11.42 H new ATOM 0 HD12 ILE A 61 6.394 2.120 1.455 1.00 11.42 H new ATOM 0 HD13 ILE A 61 5.751 0.607 2.138 1.00 11.42 H new ATOM 981 N GLN A 62 11.205 -1.608 2.293 1.00 13.97 N ATOM 982 CA GLN A 62 12.327 -2.418 1.972 1.00 15.52 C ATOM 983 C GLN A 62 11.906 -3.869 2.092 1.00 13.94 C ATOM 984 O GLN A 62 10.908 -4.121 2.773 1.00 12.15 O ATOM 985 CB GLN A 62 13.651 -2.123 2.800 1.00 19.53 C ATOM 986 CG GLN A 62 13.449 -2.210 4.336 1.00 26.38 C ATOM 987 CD GLN A 62 14.789 -2.265 5.219 1.00 30.61 C ATOM 988 OE1 GLN A 62 15.116 -3.301 5.808 1.00 33.23 O ATOM 989 NE2 GLN A 62 15.342 -1.072 5.348 1.00 32.71 N ATOM 0 H GLN A 62 10.673 -2.006 3.067 1.00 13.97 H new ATOM 0 HA GLN A 62 12.617 -2.169 0.951 1.00 15.52 H new ATOM 0 HB2 GLN A 62 14.423 -2.832 2.502 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.016 -1.128 2.545 1.00 19.53 H new ATOM 0 HG2 GLN A 62 12.862 -1.349 4.655 1.00 26.38 H new ATOM 0 HG3 GLN A 62 12.856 -3.098 4.555 1.00 26.38 H new ATOM 0 HE21 GLN A 62 14.986 -0.284 4.807 1.00 32.71 H new ATOM 0 HE22 GLN A 62 16.125 -0.939 5.989 1.00 32.71 H new ATOM 998 N LYS A 63 12.757 -4.816 1.555 1.00 11.73 N ATOM 999 CA LYS A 63 12.573 -6.266 1.719 1.00 11.97 C ATOM 1000 C LYS A 63 11.852 -6.852 2.955 1.00 10.41 C ATOM 1001 O LYS A 63 12.282 -6.810 4.098 1.00 9.59 O ATOM 1002 CB LYS A 63 13.958 -6.915 1.550 1.00 13.73 C ATOM 1003 CG LYS A 63 13.994 -8.436 1.561 1.00 16.98 C ATOM 1004 CD LYS A 63 15.249 -9.037 1.030 1.00 20.19 C ATOM 1005 CE LYS A 63 15.247 -10.588 0.875 1.00 23.42 C ATOM 1006 NZ LYS A 63 15.012 -11.287 2.141 1.00 25.97 N ATOM 0 H LYS A 63 13.579 -4.572 1.003 1.00 11.73 H new ATOM 0 HA LYS A 63 11.835 -6.511 0.955 1.00 11.97 H new ATOM 0 HB2 LYS A 63 14.386 -6.569 0.609 1.00 13.73 H new ATOM 0 HB3 LYS A 63 14.606 -6.551 2.347 1.00 13.73 H new ATOM 0 HG2 LYS A 63 13.848 -8.781 2.585 1.00 16.98 H new ATOM 0 HG3 LYS A 63 13.154 -8.809 0.976 1.00 16.98 H new ATOM 0 HD2 LYS A 63 15.458 -8.594 0.056 1.00 20.19 H new ATOM 0 HD3 LYS A 63 16.070 -8.758 1.690 1.00 20.19 H new ATOM 0 HE2 LYS A 63 14.477 -10.876 0.159 1.00 23.42 H new ATOM 0 HE3 LYS A 63 16.203 -10.908 0.461 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 15.317 -12.277 2.052 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 15.554 -10.825 2.899 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 13.998 -11.256 2.372 1.00 25.97 H new ATOM 1020 N GLU A 64 10.718 -7.455 2.604 1.00 10.04 N ATOM 1021 CA GLU A 64 9.815 -8.186 3.497 1.00 10.94 C ATOM 1022 C GLU A 64 9.264 -7.351 4.648 1.00 9.74 C ATOM 1023 O GLU A 64 8.905 -7.887 5.682 1.00 9.42 O ATOM 1024 CB GLU A 64 10.547 -9.462 4.011 1.00 18.31 C ATOM 1025 CG GLU A 64 10.485 -10.606 2.946 1.00 24.16 C ATOM 1026 CD GLU A 64 11.462 -11.684 3.296 1.00 29.00 C ATOM 1027 OE1 GLU A 64 12.630 -11.301 3.497 1.00 32.61 O ATOM 1028 OE2 GLU A 64 11.077 -12.855 3.282 1.00 31.72 O ATOM 0 H GLU A 64 10.385 -7.448 1.640 1.00 10.04 H new ATOM 0 HA GLU A 64 8.933 -8.463 2.919 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.587 -9.224 4.236 1.00 18.31 H new ATOM 0 HB3 GLU A 64 10.089 -9.800 4.941 1.00 18.31 H new ATOM 0 HG2 GLU A 64 9.477 -11.018 2.901 1.00 24.16 H new ATOM 0 HG3 GLU A 64 10.710 -10.206 1.957 1.00 24.16 H new ATOM 1035 N SER A 65 9.092 -5.997 4.483 1.00 6.85 N ATOM 1036 CA SER A 65 8.359 -5.055 5.384 1.00 6.90 C ATOM 1037 C SER A 65 6.849 -5.294 5.554 1.00 4.72 C ATOM 1038 O SER A 65 6.246 -6.031 4.787 1.00 3.91 O ATOM 1039 CB SER A 65 8.722 -3.576 5.034 1.00 7.28 C ATOM 1040 OG SER A 65 8.289 -2.620 5.967 1.00 10.56 O ATOM 0 H SER A 65 9.484 -5.514 3.674 1.00 6.85 H new ATOM 0 HA SER A 65 8.722 -5.281 6.387 1.00 6.90 H new ATOM 0 HB2 SER A 65 9.804 -3.498 4.933 1.00 7.28 H new ATOM 0 HB3 SER A 65 8.293 -3.333 4.062 1.00 7.28 H new ATOM 0 HG SER A 65 8.102 -1.775 5.507 1.00 10.56 H new ATOM 1046 N THR A 66 6.267 -4.577 6.517 1.00 4.48 N ATOM 1047 CA THR A 66 4.768 -4.664 6.654 1.00 3.80 C ATOM 1048 C THR A 66 4.155 -3.253 6.511 1.00 4.60 C ATOM 1049 O THR A 66 4.363 -2.268 7.209 1.00 5.33 O ATOM 1050 CB THR A 66 4.375 -5.222 7.992 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.856 -6.551 8.237 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.805 -5.235 8.046 1.00 3.40 C ATOM 0 H THR A 66 6.745 -3.966 7.180 1.00 4.48 H new ATOM 0 HA THR A 66 4.397 -5.327 5.872 1.00 3.80 H new ATOM 0 HB THR A 66 4.825 -4.592 8.759 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.564 -6.846 9.125 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.477 -5.635 9.006 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.428 -4.219 7.929 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.418 -5.860 7.241 1.00 3.40 H new ATOM 1060 N LEU A 67 3.312 -3.228 5.499 1.00 4.17 N ATOM 1061 CA LEU A 67 2.453 -2.111 5.019 1.00 3.85 C ATOM 1062 C LEU A 67 1.044 -2.477 5.429 1.00 3.80 C ATOM 1063 O LEU A 67 0.551 -3.629 5.437 1.00 5.54 O ATOM 1064 CB LEU A 67 2.586 -2.020 3.509 1.00 7.18 C ATOM 1065 CG LEU A 67 1.721 -0.951 2.836 1.00 9.67 C ATOM 1066 CD1 LEU A 67 2.044 0.481 3.207 1.00 8.12 C ATOM 1067 CD2 LEU A 67 1.790 -1.110 1.306 1.00 11.66 C ATOM 0 H LEU A 67 3.182 -4.059 4.922 1.00 4.17 H new ATOM 0 HA LEU A 67 2.730 -1.143 5.435 1.00 3.85 H new ATOM 0 HB2 LEU A 67 3.630 -1.825 3.264 1.00 7.18 H new ATOM 0 HB3 LEU A 67 2.334 -2.990 3.080 1.00 7.18 H new ATOM 0 HG LEU A 67 0.714 -1.127 3.214 1.00 9.67 H new ATOM 0 HD11 LEU A 67 1.373 1.155 2.675 1.00 8.12 H new ATOM 0 HD12 LEU A 67 1.917 0.616 4.281 1.00 8.12 H new ATOM 0 HD13 LEU A 67 3.075 0.704 2.933 1.00 8.12 H new ATOM 0 HD21 LEU A 67 1.173 -0.347 0.833 1.00 11.66 H new ATOM 0 HD22 LEU A 67 2.822 -0.998 0.975 1.00 11.66 H new ATOM 0 HD23 LEU A 67 1.424 -2.098 1.026 1.00 11.66 H new ATOM 1079 N HIS A 68 0.224 -1.430 5.844 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.117 -1.626 6.442 1.00 4.17 C ATOM 1081 C HIS A 68 -2.099 -1.026 5.502 1.00 5.32 C ATOM 1082 O HIS A 68 -1.867 0.032 4.953 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.232 -1.024 7.828 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.394 -1.803 8.785 1.00 9.95 C ATOM 1085 ND1 HIS A 68 -0.714 -3.089 9.281 1.00 13.74 N ATOM 1086 CD2 HIS A 68 0.897 -1.625 9.143 1.00 12.79 C ATOM 1087 CE1 HIS A 68 0.352 -3.528 9.977 1.00 14.75 C ATOM 1088 NE2 HIS A 68 1.366 -2.650 9.925 1.00 16.30 N ATOM 0 H HIS A 68 0.493 -0.450 5.764 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.309 -2.690 6.581 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -0.909 0.017 7.811 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.273 -1.030 8.152 1.00 5.57 H new ATOM 0 HD2 HIS A 68 1.491 -0.773 8.847 1.00 12.79 H new ATOM 0 HE1 HIS A 68 0.387 -4.467 10.509 1.00 14.75 H new ATOM 0 HE2 HIS A 68 2.281 -2.728 10.368 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.194 -1.786 5.173 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.232 -1.374 4.253 1.00 3.97 C ATOM 1098 C LEU A 69 -5.526 -1.249 5.017 1.00 5.07 C ATOM 1099 O LEU A 69 -6.093 -2.243 5.512 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.451 -2.507 3.132 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.755 -2.474 2.231 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.554 -1.330 1.168 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -6.052 -3.823 1.550 1.00 9.96 C ATOM 0 H LEU A 69 -3.353 -2.714 5.564 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.944 -0.431 3.789 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.591 -2.475 2.463 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.427 -3.473 3.636 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.623 -2.279 2.860 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.432 -1.273 0.525 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.417 -0.378 1.680 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.674 -1.547 0.562 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.956 -3.735 0.948 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -5.215 -4.099 0.909 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.195 -4.591 2.310 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.056 0.008 5.141 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.362 0.387 5.644 1.00 6.26 C ATOM 1117 C VAL A 70 -8.175 0.974 4.478 1.00 9.22 C ATOM 1118 O VAL A 70 -7.632 1.587 3.561 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.245 1.381 6.803 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -6.674 0.554 7.962 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.271 2.462 6.419 1.00 8.54 C ATOM 0 H VAL A 70 -5.516 0.827 4.862 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.873 -0.490 6.041 1.00 6.26 H new ATOM 0 HB VAL A 70 -8.193 1.853 7.061 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -6.556 1.190 8.839 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -7.355 -0.264 8.196 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -5.704 0.148 7.676 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -6.179 3.176 7.237 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -5.297 2.018 6.214 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -6.630 2.976 5.527 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.492 0.667 4.475 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.423 1.293 3.518 1.00 16.06 C ATOM 1133 C LEU A 71 -10.562 2.793 3.581 1.00 18.09 C ATOM 1134 O LEU A 71 -10.459 3.496 4.621 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.791 0.659 3.585 1.00 17.10 C ATOM 1136 CG LEU A 71 -11.811 -0.868 3.359 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -13.227 -1.342 3.560 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -11.350 -1.395 1.951 1.00 19.57 C ATOM 0 H LEU A 71 -9.926 0.001 5.114 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.944 1.097 2.559 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -12.227 0.873 4.561 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -12.431 1.131 2.839 1.00 17.10 H new ATOM 0 HG LEU A 71 -11.081 -1.259 4.068 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -13.275 -2.420 3.407 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -13.550 -1.105 4.574 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -13.882 -0.845 2.845 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -11.414 -2.483 1.931 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -11.996 -0.979 1.178 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -10.320 -1.089 1.767 1.00 19.57 H new ATOM 1150 N ARG A 72 -10.764 3.393 2.394 1.00 21.47 N ATOM 1151 CA ARG A 72 -10.897 4.834 2.267 1.00 25.83 C ATOM 1152 C ARG A 72 -12.177 5.278 1.710 1.00 27.74 C ATOM 1153 O ARG A 72 -12.577 4.733 0.677 1.00 30.65 O ATOM 1154 CB ARG A 72 -9.725 5.341 1.398 1.00 28.49 C ATOM 1155 CG ARG A 72 -9.842 6.827 1.042 1.00 31.79 C ATOM 1156 CD ARG A 72 -8.636 7.255 0.312 1.00 34.05 C ATOM 1157 NE ARG A 72 -8.606 8.752 0.146 1.00 35.08 N ATOM 1158 CZ ARG A 72 -7.616 9.494 -0.339 1.00 34.67 C ATOM 1159 NH1 ARG A 72 -6.711 8.902 -1.124 1.00 34.97 N ATOM 1160 NH2 ARG A 72 -7.481 10.847 -0.265 1.00 35.02 N ATOM 0 H ARG A 72 -10.837 2.888 1.511 1.00 21.47 H new ATOM 0 HA ARG A 72 -10.869 5.257 3.271 1.00 25.83 H new ATOM 0 HB2 ARG A 72 -8.788 5.173 1.928 1.00 28.49 H new ATOM 0 HB3 ARG A 72 -9.681 4.755 0.480 1.00 28.49 H new ATOM 0 HG2 ARG A 72 -10.729 6.997 0.431 1.00 31.79 H new ATOM 0 HG3 ARG A 72 -9.961 7.421 1.948 1.00 31.79 H new ATOM 0 HD2 ARG A 72 -7.746 6.928 0.850 1.00 34.05 H new ATOM 0 HD3 ARG A 72 -8.611 6.777 -0.667 1.00 34.05 H new ATOM 0 HE ARG A 72 -9.443 9.255 0.440 1.00 35.08 H new ATOM 0 HH11 ARG A 72 -6.792 7.907 -1.336 1.00 34.97 H new ATOM 0 HH12 ARG A 72 -5.939 9.445 -1.512 1.00 34.97 H new ATOM 0 HH21 ARG A 72 -8.193 11.406 0.206 1.00 35.02 H new ATOM 0 HH22 ARG A 72 -6.668 11.302 -0.681 1.00 35.02 H new ATOM 1174 N LEU A 73 -12.967 6.141 2.333 1.00 28.93 N ATOM 1175 CA LEU A 73 -14.274 6.503 1.864 1.00 30.76 C ATOM 1176 C LEU A 73 -14.203 7.682 0.950 1.00 32.18 C ATOM 1177 O LEU A 73 -13.141 8.322 0.870 1.00 32.31 O ATOM 1178 CB LEU A 73 -15.217 6.811 3.044 1.00 30.53 C ATOM 1179 CG LEU A 73 -15.385 5.698 4.082 1.00 30.16 C ATOM 1180 CD1 LEU A 73 -16.193 6.157 5.308 1.00 29.57 C ATOM 1181 CD2 LEU A 73 -15.863 4.321 3.501 1.00 29.11 C ATOM 0 H LEU A 73 -12.700 6.613 3.197 1.00 28.93 H new ATOM 0 HA LEU A 73 -14.674 5.653 1.310 1.00 30.76 H new ATOM 0 HB2 LEU A 73 -14.849 7.702 3.553 1.00 30.53 H new ATOM 0 HB3 LEU A 73 -16.200 7.056 2.642 1.00 30.53 H new ATOM 0 HG LEU A 73 -14.375 5.491 4.435 1.00 30.16 H new ATOM 0 HD11 LEU A 73 -16.284 5.331 6.014 1.00 29.57 H new ATOM 0 HD12 LEU A 73 -15.682 6.991 5.789 1.00 29.57 H new ATOM 0 HD13 LEU A 73 -17.187 6.474 4.991 1.00 29.57 H new ATOM 0 HD21 LEU A 73 -15.953 3.596 4.310 1.00 29.11 H new ATOM 0 HD22 LEU A 73 -16.832 4.447 3.017 1.00 29.11 H new ATOM 0 HD23 LEU A 73 -15.137 3.962 2.772 1.00 29.11 H new ATOM 1193 N ARG A 74 -15.303 8.023 0.236 1.00 33.82 N ATOM 1194 CA ARG A 74 -15.261 9.286 -0.510 1.00 35.33 C ATOM 1195 C ARG A 74 -15.053 10.455 0.361 1.00 36.22 C ATOM 1196 O ARG A 74 -14.261 11.345 0.045 1.00 36.70 O ATOM 1197 CB ARG A 74 -16.420 9.496 -1.511 1.00 36.91 C ATOM 1198 CG ARG A 74 -16.621 10.818 -2.243 1.00 38.62 C ATOM 1199 CD ARG A 74 -15.550 11.211 -3.293 1.00 39.75 C ATOM 1200 NE ARG A 74 -14.425 11.863 -2.598 1.00 41.13 N ATOM 1201 CZ ARG A 74 -13.390 12.445 -3.215 1.00 41.91 C ATOM 1202 NH1 ARG A 74 -13.202 12.455 -4.529 1.00 42.75 N ATOM 1203 NH2 ARG A 74 -12.369 12.979 -2.532 1.00 41.93 N ATOM 0 H ARG A 74 -16.165 7.483 0.166 1.00 33.82 H new ATOM 0 HA ARG A 74 -14.376 9.190 -1.138 1.00 35.33 H new ATOM 0 HB2 ARG A 74 -16.320 8.725 -2.275 1.00 36.91 H new ATOM 0 HB3 ARG A 74 -17.344 9.291 -0.970 1.00 36.91 H new ATOM 0 HG2 ARG A 74 -17.589 10.785 -2.743 1.00 38.62 H new ATOM 0 HG3 ARG A 74 -16.674 11.613 -1.499 1.00 38.62 H new ATOM 0 HD2 ARG A 74 -15.203 10.327 -3.828 1.00 39.75 H new ATOM 0 HD3 ARG A 74 -15.978 11.885 -4.035 1.00 39.75 H new ATOM 0 HE ARG A 74 -14.436 11.871 -1.578 1.00 41.13 H new ATOM 0 HH11 ARG A 74 -13.874 11.996 -5.144 1.00 42.75 H new ATOM 0 HH12 ARG A 74 -12.385 12.922 -4.924 1.00 42.75 H new ATOM 0 HH21 ARG A 74 -12.366 12.949 -1.512 1.00 41.93 H new ATOM 0 HH22 ARG A 74 -11.594 13.416 -3.031 1.00 41.93 H new ATOM 1217 N GLY A 75 -15.832 10.502 1.466 1.00 36.31 N ATOM 1218 CA GLY A 75 -15.771 11.512 2.476 1.00 36.07 C ATOM 1219 C GLY A 75 -14.766 11.301 3.556 1.00 36.16 C ATOM 1220 O GLY A 75 -14.507 12.159 4.412 1.00 36.26 O ATOM 0 H GLY A 75 -16.541 9.794 1.660 1.00 36.31 H new ATOM 0 HA2 GLY A 75 -15.561 12.467 1.994 1.00 36.07 H new ATOM 0 HA3 GLY A 75 -16.756 11.597 2.936 1.00 36.07 H new ATOM 1224 N GLY A 76 -14.090 10.144 3.451 1.00 36.05 N ATOM 1225 CA GLY A 76 -13.209 9.759 4.499 1.00 36.19 C ATOM 1226 C GLY A 76 -11.823 9.374 4.180 1.00 36.20 C ATOM 1227 O GLY A 76 -10.999 10.232 3.874 1.00 0.00 O ATOM 1228 OXT GLY A 76 -11.496 8.161 4.317 1.00 0.00 O ATOM 0 H GLY A 76 -14.151 9.496 2.666 1.00 36.05 H new ATOM 0 HA2 GLY A 76 -13.163 10.587 5.207 1.00 36.19 H new ATOM 0 HA3 GLY A 76 -13.669 8.919 5.020 1.00 36.19 H new TER 1232 GLY A 76