USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 629 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 55 THR OG1 : rot 128:sc= 0.766 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 0.763 USER MOD Set 2.1: A 22 THR OG1 : rot 180:sc= 0.21 USER MOD Set 2.2: A 25 ASN : amide:sc= 0.221 X(o=0.43,f=0.042) USER MOD Set 3.1: A 6 LYS NZ :NH3+ -165:sc= 0.714 (180deg=-0.524) USER MOD Set 3.2: A 12 THR OG1 : rot 170:sc= 0.713 USER MOD Single : A 1 MET CE :methyl 180:sc= -0.0266 (180deg=-0.0266) USER MOD Single : A 1 MET N :NH3+ -156:sc= 1.28 (180deg=1.19) USER MOD Single : A 2 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 7 THR OG1 : rot 170:sc= -0.0464 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 147:sc= 0.624 (180deg=-1.52!) USER MOD Single : A 14 THR OG1 : rot -67:sc= 0.462 USER MOD Single : A 20 SER OG : rot 180:sc= 0.041 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 1.22 (180deg=1.22) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.647 X(o=-0.65,f=-0.68) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 41 GLN : amide:sc= 1.36 K(o=1.4,f=-0.97) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.05) USER MOD Single : A 59 TYR OH : rot 30:sc= 0.0892 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 62 GLN : amide:sc= -0.458 X(o=-0.46,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 150:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= 0.493 K(o=0.49,f=-1.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 10.916 -7.368 -5.526 1.00 9.67 N ATOM 2 CA MET A 1 10.923 -7.126 -4.081 1.00 10.38 C ATOM 3 C MET A 1 9.610 -7.535 -3.469 1.00 9.62 C ATOM 4 O MET A 1 8.548 -7.116 -3.937 1.00 9.62 O ATOM 5 CB MET A 1 11.167 -5.630 -3.772 1.00 13.77 C ATOM 6 CG MET A 1 11.442 -5.348 -2.238 1.00 16.29 C ATOM 7 SD MET A 1 12.064 -3.662 -2.105 1.00 17.17 S ATOM 8 CE MET A 1 10.504 -2.837 -1.985 1.00 16.11 C ATOM 0 H1 MET A 1 11.893 -7.477 -5.864 1.00 9.67 H new ATOM 0 H2 MET A 1 10.380 -8.236 -5.730 1.00 9.67 H new ATOM 0 H3 MET A 1 10.470 -6.563 -6.011 1.00 9.67 H new ATOM 0 HA MET A 1 11.730 -7.721 -3.655 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.016 -5.278 -4.358 1.00 13.77 H new ATOM 0 HB3 MET A 1 10.299 -5.053 -4.091 1.00 13.77 H new ATOM 0 HG2 MET A 1 10.528 -5.467 -1.656 1.00 16.29 H new ATOM 0 HG3 MET A 1 12.168 -6.058 -1.841 1.00 16.29 H new ATOM 0 HE1 MET A 1 10.666 -1.763 -1.893 1.00 16.11 H new ATOM 0 HE2 MET A 1 9.915 -3.040 -2.880 1.00 16.11 H new ATOM 0 HE3 MET A 1 9.968 -3.199 -1.108 1.00 16.11 H new ATOM 20 N GLN A 2 9.674 -8.512 -2.462 1.00 9.27 N ATOM 21 CA GLN A 2 8.440 -8.953 -1.829 1.00 9.07 C ATOM 22 C GLN A 2 8.100 -8.122 -0.556 1.00 8.72 C ATOM 23 O GLN A 2 8.930 -7.983 0.380 1.00 8.22 O ATOM 24 CB GLN A 2 8.665 -10.469 -1.491 1.00 14.46 C ATOM 25 CG GLN A 2 7.825 -11.057 -0.327 1.00 17.01 C ATOM 26 CD GLN A 2 8.002 -12.547 -0.126 1.00 20.10 C ATOM 27 OE1 GLN A 2 7.086 -13.379 -0.160 1.00 21.89 O ATOM 28 NE2 GLN A 2 9.265 -12.892 0.269 1.00 19.49 N ATOM 0 H GLN A 2 10.528 -8.954 -2.123 1.00 9.27 H new ATOM 0 HA GLN A 2 7.585 -8.810 -2.490 1.00 9.07 H new ATOM 0 HB2 GLN A 2 8.457 -11.052 -2.388 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.720 -10.612 -1.255 1.00 14.46 H new ATOM 0 HG2 GLN A 2 8.093 -10.543 0.596 1.00 17.01 H new ATOM 0 HG3 GLN A 2 6.771 -10.849 -0.513 1.00 17.01 H new ATOM 0 HE21 GLN A 2 10.003 -12.188 0.289 1.00 19.49 H new ATOM 0 HE22 GLN A 2 9.469 -13.853 0.544 1.00 19.49 H new ATOM 37 N ILE A 3 6.856 -7.588 -0.498 1.00 5.87 N ATOM 38 CA ILE A 3 6.429 -6.922 0.742 1.00 5.07 C ATOM 39 C ILE A 3 5.020 -7.395 1.056 1.00 4.01 C ATOM 40 O ILE A 3 4.202 -7.834 0.235 1.00 4.61 O ATOM 41 CB ILE A 3 6.487 -5.388 0.753 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.565 -4.787 -0.432 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.912 -4.846 0.718 1.00 5.58 C ATOM 44 CD1 ILE A 3 5.141 -3.349 -0.138 1.00 10.83 C ATOM 0 H ILE A 3 6.169 -7.604 -1.252 1.00 5.87 H new ATOM 0 HA ILE A 3 7.155 -7.207 1.504 1.00 5.07 H new ATOM 0 HB ILE A 3 6.079 -5.048 1.705 1.00 6.55 H new ATOM 0 HG12 ILE A 3 6.113 -4.820 -1.373 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.679 -5.410 -0.557 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.887 -3.756 0.728 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.459 -5.204 1.590 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.410 -5.190 -0.189 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.523 -2.978 -0.955 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.571 -3.320 0.790 1.00 10.83 H new ATOM 0 HD13 ILE A 3 6.027 -2.722 -0.039 1.00 10.83 H new ATOM 56 N PHE A 4 4.702 -7.331 2.328 1.00 4.55 N ATOM 57 CA PHE A 4 3.465 -7.826 2.858 1.00 4.68 C ATOM 58 C PHE A 4 2.581 -6.657 3.265 1.00 5.30 C ATOM 59 O PHE A 4 3.094 -5.593 3.672 1.00 5.58 O ATOM 60 CB PHE A 4 3.702 -8.693 4.160 1.00 4.83 C ATOM 61 CG PHE A 4 4.631 -9.822 3.838 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.164 -10.937 3.096 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.970 -9.841 4.361 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.022 -12.015 2.876 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.711 -10.997 4.247 1.00 10.61 C ATOM 66 CZ PHE A 4 6.353 -12.001 3.351 1.00 8.90 C ATOM 0 H PHE A 4 5.314 -6.923 3.034 1.00 4.55 H new ATOM 0 HA PHE A 4 3.001 -8.435 2.082 1.00 4.68 H new ATOM 0 HB2 PHE A 4 4.124 -8.074 4.952 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.753 -9.081 4.530 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.157 -10.951 2.706 1.00 6.69 H new ATOM 0 HD2 PHE A 4 6.388 -8.965 4.835 1.00 8.34 H new ATOM 0 HE1 PHE A 4 4.662 -12.876 2.333 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.587 -11.127 4.865 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.068 -12.744 3.030 1.00 8.90 H new ATOM 76 N VAL A 5 1.252 -6.847 3.121 1.00 4.44 N ATOM 77 CA VAL A 5 0.314 -5.863 3.615 1.00 3.87 C ATOM 78 C VAL A 5 -0.668 -6.546 4.568 1.00 4.93 C ATOM 79 O VAL A 5 -1.124 -7.650 4.226 1.00 6.84 O ATOM 80 CB VAL A 5 -0.395 -5.180 2.455 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.153 -3.967 3.080 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.530 -4.720 1.416 1.00 9.13 C ATOM 0 H VAL A 5 0.828 -7.660 2.674 1.00 4.44 H new ATOM 0 HA VAL A 5 0.841 -5.085 4.167 1.00 3.87 H new ATOM 0 HB VAL A 5 -1.064 -5.883 1.959 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -1.687 -3.429 2.297 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -1.865 -4.326 3.823 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -0.437 -3.297 3.557 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -0.032 -4.241 0.614 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.232 -4.005 1.845 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.079 -5.572 1.015 1.00 9.13 H new ATOM 92 N LYS A 6 -1.075 -5.877 5.651 1.00 6.04 N ATOM 93 CA LYS A 6 -2.159 -6.371 6.472 1.00 6.12 C ATOM 94 C LYS A 6 -3.290 -5.418 6.468 1.00 6.57 C ATOM 95 O LYS A 6 -3.150 -4.237 6.540 1.00 5.76 O ATOM 96 CB LYS A 6 -1.561 -6.636 7.924 1.00 7.45 C ATOM 97 CG LYS A 6 -0.606 -7.788 7.979 1.00 11.12 C ATOM 98 CD LYS A 6 0.047 -7.838 9.392 1.00 14.54 C ATOM 99 CE LYS A 6 0.864 -9.076 9.657 1.00 18.84 C ATOM 100 NZ LYS A 6 0.026 -10.256 9.498 1.00 20.55 N ATOM 0 H LYS A 6 -0.666 -4.998 5.969 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.569 -7.303 6.083 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.051 -5.736 8.267 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.381 -6.822 8.617 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -1.130 -8.721 7.773 1.00 11.12 H new ATOM 0 HG3 LYS A 6 0.162 -7.678 7.213 1.00 11.12 H new ATOM 0 HD2 LYS A 6 0.685 -6.963 9.515 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -0.738 -7.768 10.145 1.00 14.54 H new ATOM 0 HE2 LYS A 6 1.708 -9.121 8.969 1.00 18.84 H new ATOM 0 HE3 LYS A 6 1.276 -9.043 10.666 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 0.502 -11.079 9.919 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -0.885 -10.101 9.975 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.138 -10.431 8.486 1.00 20.55 H new ATOM 114 N THR A 7 -4.547 -5.959 6.440 1.00 7.41 N ATOM 115 CA THR A 7 -5.723 -5.175 6.211 1.00 7.48 C ATOM 116 C THR A 7 -6.312 -4.725 7.513 1.00 8.75 C ATOM 117 O THR A 7 -5.988 -5.219 8.568 1.00 8.58 O ATOM 118 CB THR A 7 -6.766 -5.895 5.373 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.217 -7.028 6.014 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.142 -6.251 4.074 1.00 9.17 C ATOM 0 H THR A 7 -4.734 -6.952 6.579 1.00 7.41 H new ATOM 0 HA THR A 7 -5.411 -4.304 5.634 1.00 7.48 H new ATOM 0 HB THR A 7 -7.627 -5.245 5.216 1.00 9.61 H new ATOM 0 HG1 THR A 7 -7.996 -7.385 5.538 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.870 -6.770 3.451 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.813 -5.344 3.568 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.284 -6.901 4.248 1.00 9.17 H new ATOM 128 N LEU A 8 -7.286 -3.782 7.540 1.00 9.84 N ATOM 129 CA LEU A 8 -7.993 -3.371 8.765 1.00 14.15 C ATOM 130 C LEU A 8 -8.438 -4.524 9.703 1.00 17.37 C ATOM 131 O LEU A 8 -8.285 -4.394 10.936 1.00 17.01 O ATOM 132 CB LEU A 8 -9.155 -2.532 8.393 1.00 16.63 C ATOM 133 CG LEU A 8 -9.856 -1.780 9.584 1.00 18.88 C ATOM 134 CD1 LEU A 8 -8.854 -0.857 10.373 1.00 19.31 C ATOM 135 CD2 LEU A 8 -11.103 -1.031 9.225 1.00 18.59 C ATOM 0 H LEU A 8 -7.600 -3.287 6.705 1.00 9.84 H new ATOM 0 HA LEU A 8 -7.266 -2.811 9.353 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -8.828 -1.793 7.662 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -9.894 -3.163 7.900 1.00 16.63 H new ATOM 0 HG LEU A 8 -10.187 -2.585 10.240 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -9.382 -0.358 11.186 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -8.047 -1.464 10.783 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -8.439 -0.109 9.697 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -11.507 -0.549 10.115 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -10.870 -0.274 8.477 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -11.841 -1.725 8.821 1.00 18.59 H new ATOM 147 N THR A 9 -9.098 -5.598 9.204 1.00 18.33 N ATOM 148 CA THR A 9 -9.598 -6.670 10.026 1.00 19.24 C ATOM 149 C THR A 9 -8.540 -7.764 10.098 1.00 19.48 C ATOM 150 O THR A 9 -8.752 -8.869 10.564 1.00 23.14 O ATOM 151 CB THR A 9 -10.909 -7.248 9.564 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.916 -7.741 8.193 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.001 -6.177 9.485 1.00 19.70 C ATOM 0 H THR A 9 -9.287 -5.723 8.210 1.00 18.33 H new ATOM 0 HA THR A 9 -9.800 -6.246 11.010 1.00 19.24 H new ATOM 0 HB THR A 9 -11.072 -8.041 10.294 1.00 18.97 H new ATOM 0 HG1 THR A 9 -11.803 -8.099 7.979 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.933 -6.631 9.148 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.149 -5.735 10.470 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.700 -5.402 8.780 1.00 19.70 H new ATOM 161 N GLY A 10 -7.275 -7.552 9.656 1.00 19.43 N ATOM 162 CA GLY A 10 -6.195 -8.441 10.099 1.00 18.74 C ATOM 163 C GLY A 10 -5.708 -9.536 9.178 1.00 17.62 C ATOM 164 O GLY A 10 -4.875 -10.400 9.540 1.00 19.74 O ATOM 0 H GLY A 10 -6.994 -6.805 9.021 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -5.337 -7.815 10.345 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -6.521 -8.914 11.025 1.00 18.74 H new ATOM 168 N LYS A 11 -6.181 -9.472 7.928 1.00 13.56 N ATOM 169 CA LYS A 11 -5.778 -10.417 6.836 1.00 11.91 C ATOM 170 C LYS A 11 -4.452 -10.021 6.189 1.00 10.18 C ATOM 171 O LYS A 11 -4.139 -8.837 5.963 1.00 9.10 O ATOM 172 CB LYS A 11 -6.909 -10.417 5.793 1.00 13.43 C ATOM 173 CG LYS A 11 -6.730 -11.454 4.664 1.00 16.69 C ATOM 174 CD LYS A 11 -7.771 -11.516 3.571 1.00 17.92 C ATOM 175 CE LYS A 11 -7.521 -10.413 2.547 1.00 20.81 C ATOM 176 NZ LYS A 11 -8.655 -10.320 1.597 1.00 21.93 N ATOM 0 H LYS A 11 -6.856 -8.769 7.627 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.626 -11.412 7.253 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.855 -10.608 6.300 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.980 -9.423 5.350 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.765 -11.268 4.193 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.674 -12.440 5.125 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -7.740 -12.490 3.083 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -8.767 -11.406 4.000 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -7.387 -9.459 3.057 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -6.599 -10.616 2.003 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -8.782 -9.330 1.303 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -8.457 -10.906 0.761 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -9.523 -10.658 2.059 1.00 21.93 H new ATOM 190 N THR A 12 -3.537 -10.999 5.871 1.00 9.63 N ATOM 191 CA THR A 12 -2.244 -10.737 5.158 1.00 9.85 C ATOM 192 C THR A 12 -2.377 -10.963 3.620 1.00 11.66 C ATOM 193 O THR A 12 -3.058 -11.869 3.159 1.00 12.33 O ATOM 194 CB THR A 12 -1.057 -11.472 5.728 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.089 -11.390 7.142 1.00 10.91 O ATOM 196 CG2 THR A 12 0.250 -10.738 5.370 1.00 9.63 C ATOM 0 H THR A 12 -3.678 -11.982 6.102 1.00 9.63 H new ATOM 0 HA THR A 12 -2.034 -9.681 5.331 1.00 9.85 H new ATOM 0 HB THR A 12 -1.095 -12.490 5.341 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.418 -11.996 7.520 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.098 -11.280 5.788 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.352 -10.685 4.286 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.225 -9.729 5.782 1.00 9.63 H new ATOM 204 N ILE A 13 -1.690 -10.148 2.804 1.00 10.42 N ATOM 205 CA ILE A 13 -1.473 -10.371 1.395 1.00 11.84 C ATOM 206 C ILE A 13 -0.025 -10.079 1.145 1.00 10.55 C ATOM 207 O ILE A 13 0.610 -9.315 1.877 1.00 11.92 O ATOM 208 CB ILE A 13 -2.408 -9.593 0.421 1.00 14.86 C ATOM 209 CG1 ILE A 13 -2.177 -8.034 0.477 1.00 14.87 C ATOM 210 CG2 ILE A 13 -3.829 -10.021 0.752 1.00 17.08 C ATOM 211 CD1 ILE A 13 -3.148 -7.194 -0.339 1.00 16.46 C ATOM 0 H ILE A 13 -1.260 -9.285 3.137 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.736 -11.405 1.170 1.00 11.84 H new ATOM 0 HB ILE A 13 -2.186 -9.839 -0.617 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -2.234 -7.714 1.517 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -1.164 -7.823 0.133 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -4.527 -9.503 0.095 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -3.927 -11.097 0.610 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -4.052 -9.770 1.789 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -2.898 -6.139 -0.229 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.079 -7.475 -1.390 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.164 -7.365 0.016 1.00 16.46 H new ATOM 223 N THR A 14 0.526 -10.681 0.088 1.00 9.39 N ATOM 224 CA THR A 14 1.882 -10.529 -0.419 1.00 9.63 C ATOM 225 C THR A 14 1.939 -9.911 -1.762 1.00 11.20 C ATOM 226 O THR A 14 1.257 -10.310 -2.676 1.00 11.63 O ATOM 227 CB THR A 14 2.625 -11.877 -0.671 1.00 10.38 C ATOM 228 OG1 THR A 14 2.650 -12.587 0.515 1.00 16.30 O ATOM 229 CG2 THR A 14 4.124 -11.720 -1.039 1.00 11.66 C ATOM 0 H THR A 14 -0.012 -11.339 -0.477 1.00 9.39 H new ATOM 0 HA THR A 14 2.337 -9.928 0.368 1.00 9.63 H new ATOM 0 HB THR A 14 2.091 -12.352 -1.494 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.219 -12.122 1.163 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.565 -12.704 -1.197 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.215 -11.131 -1.951 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.647 -11.215 -0.227 1.00 11.66 H new ATOM 237 N LEU A 15 2.765 -8.848 -1.946 1.00 8.29 N ATOM 238 CA LEU A 15 2.820 -8.066 -3.172 1.00 9.03 C ATOM 239 C LEU A 15 4.238 -8.188 -3.638 1.00 8.59 C ATOM 240 O LEU A 15 5.157 -8.062 -2.840 1.00 7.79 O ATOM 241 CB LEU A 15 2.500 -6.580 -2.973 1.00 11.08 C ATOM 242 CG LEU A 15 1.265 -6.177 -2.127 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.197 -4.661 -2.012 1.00 15.88 C ATOM 244 CD2 LEU A 15 -0.065 -6.796 -2.654 1.00 15.27 C ATOM 0 H LEU A 15 3.412 -8.520 -1.229 1.00 8.29 H new ATOM 0 HA LEU A 15 2.075 -8.439 -3.875 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.375 -6.115 -2.519 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.380 -6.136 -3.961 1.00 11.08 H new ATOM 0 HG LEU A 15 1.390 -6.596 -1.129 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.328 -4.380 -1.417 1.00 15.88 H new ATOM 0 HD12 LEU A 15 2.102 -4.292 -1.530 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.112 -4.224 -3.007 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.892 -6.476 -2.019 1.00 15.27 H new ATOM 0 HD22 LEU A 15 -0.242 -6.462 -3.676 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.007 -7.883 -2.635 1.00 15.27 H new ATOM 256 N GLU A 16 4.475 -8.519 -4.885 1.00 11.04 N ATOM 257 CA GLU A 16 5.791 -8.392 -5.458 1.00 11.50 C ATOM 258 C GLU A 16 5.898 -7.116 -6.267 1.00 10.13 C ATOM 259 O GLU A 16 4.994 -6.861 -7.084 1.00 9.83 O ATOM 260 CB GLU A 16 6.145 -9.629 -6.291 1.00 17.22 C ATOM 261 CG GLU A 16 7.585 -9.671 -6.720 1.00 23.33 C ATOM 262 CD GLU A 16 7.854 -10.875 -7.620 1.00 26.99 C ATOM 263 OE1 GLU A 16 7.254 -11.007 -8.705 1.00 28.90 O ATOM 264 OE2 GLU A 16 8.761 -11.580 -7.237 1.00 28.86 O ATOM 0 H GLU A 16 3.768 -8.880 -5.525 1.00 11.04 H new ATOM 0 HA GLU A 16 6.519 -8.329 -4.649 1.00 11.50 H new ATOM 0 HB2 GLU A 16 5.921 -10.524 -5.711 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.510 -9.655 -7.176 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.837 -8.753 -7.250 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.228 -9.718 -5.841 1.00 23.33 H new ATOM 271 N VAL A 17 6.863 -6.211 -6.051 1.00 8.99 N ATOM 272 CA VAL A 17 6.956 -4.882 -6.633 1.00 8.85 C ATOM 273 C VAL A 17 8.457 -4.572 -6.876 1.00 8.04 C ATOM 274 O VAL A 17 9.339 -5.387 -6.569 1.00 8.99 O ATOM 275 CB VAL A 17 6.313 -3.834 -5.750 1.00 9.78 C ATOM 276 CG1 VAL A 17 4.779 -3.895 -5.874 1.00 12.05 C ATOM 277 CG2 VAL A 17 6.676 -3.983 -4.225 1.00 10.54 C ATOM 0 H VAL A 17 7.644 -6.408 -5.425 1.00 8.99 H new ATOM 0 HA VAL A 17 6.410 -4.857 -7.576 1.00 8.85 H new ATOM 0 HB VAL A 17 6.706 -2.880 -6.102 1.00 9.78 H new ATOM 0 HG11 VAL A 17 4.332 -3.135 -5.233 1.00 12.05 H new ATOM 0 HG12 VAL A 17 4.490 -3.712 -6.909 1.00 12.05 H new ATOM 0 HG13 VAL A 17 4.428 -4.881 -5.568 1.00 12.05 H new ATOM 0 HG21 VAL A 17 6.180 -3.198 -3.654 1.00 10.54 H new ATOM 0 HG22 VAL A 17 6.345 -4.957 -3.866 1.00 10.54 H new ATOM 0 HG23 VAL A 17 7.755 -3.897 -4.098 1.00 10.54 H new ATOM 287 N GLU A 18 8.800 -3.391 -7.426 1.00 7.29 N ATOM 288 CA GLU A 18 10.178 -2.961 -7.636 1.00 7.08 C ATOM 289 C GLU A 18 10.381 -1.710 -6.760 1.00 6.45 C ATOM 290 O GLU A 18 9.438 -0.982 -6.492 1.00 5.28 O ATOM 291 CB GLU A 18 10.528 -2.647 -9.069 1.00 10.28 C ATOM 292 CG GLU A 18 10.541 -3.889 -9.937 1.00 12.65 C ATOM 293 CD GLU A 18 11.706 -4.817 -9.582 1.00 14.15 C ATOM 294 OE1 GLU A 18 12.736 -4.221 -9.180 1.00 18.17 O ATOM 295 OE2 GLU A 18 11.703 -6.067 -9.771 1.00 14.33 O ATOM 0 H GLU A 18 8.111 -2.706 -7.738 1.00 7.29 H new ATOM 0 HA GLU A 18 10.838 -3.785 -7.366 1.00 7.08 H new ATOM 0 HB2 GLU A 18 9.809 -1.933 -9.469 1.00 10.28 H new ATOM 0 HB3 GLU A 18 11.507 -2.169 -9.106 1.00 10.28 H new ATOM 0 HG2 GLU A 18 9.600 -4.425 -9.819 1.00 12.65 H new ATOM 0 HG3 GLU A 18 10.613 -3.599 -10.985 1.00 12.65 H new ATOM 302 N PRO A 19 11.569 -1.393 -6.346 1.00 7.24 N ATOM 303 CA PRO A 19 11.751 -0.308 -5.343 1.00 7.07 C ATOM 304 C PRO A 19 11.364 1.112 -5.835 1.00 6.65 C ATOM 305 O PRO A 19 10.939 1.913 -4.994 1.00 6.37 O ATOM 306 CB PRO A 19 13.214 -0.295 -4.961 1.00 7.61 C ATOM 307 CG PRO A 19 13.920 -1.066 -6.086 1.00 8.16 C ATOM 308 CD PRO A 19 12.832 -2.060 -6.588 1.00 7.49 C ATOM 0 HA PRO A 19 11.080 -0.527 -4.512 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.593 0.724 -4.881 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.375 -0.771 -3.994 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.252 -0.399 -6.882 1.00 8.16 H new ATOM 0 HG3 PRO A 19 14.803 -1.590 -5.720 1.00 8.16 H new ATOM 0 HD2 PRO A 19 12.962 -2.285 -7.647 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.886 -3.007 -6.052 1.00 7.49 H new ATOM 316 N SER A 20 11.457 1.411 -7.119 1.00 6.80 N ATOM 317 CA SER A 20 11.126 2.686 -7.659 1.00 6.28 C ATOM 318 C SER A 20 9.697 2.791 -8.079 1.00 8.45 C ATOM 319 O SER A 20 9.205 3.785 -8.557 1.00 7.26 O ATOM 320 CB SER A 20 11.979 2.917 -8.925 1.00 8.57 C ATOM 321 OG SER A 20 11.876 1.788 -9.780 1.00 11.13 O ATOM 0 H SER A 20 11.776 0.743 -7.821 1.00 6.80 H new ATOM 0 HA SER A 20 11.313 3.420 -6.875 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.640 3.813 -9.446 1.00 8.57 H new ATOM 0 HB3 SER A 20 13.020 3.083 -8.649 1.00 8.57 H new ATOM 0 HG SER A 20 12.416 1.936 -10.584 1.00 11.13 H new ATOM 327 N ASP A 21 8.885 1.744 -7.820 1.00 7.50 N ATOM 328 CA ASP A 21 7.463 1.871 -7.950 1.00 7.70 C ATOM 329 C ASP A 21 6.896 2.872 -6.960 1.00 7.08 C ATOM 330 O ASP A 21 7.259 2.945 -5.809 1.00 8.11 O ATOM 331 CB ASP A 21 6.684 0.480 -7.761 1.00 11.00 C ATOM 332 CG ASP A 21 7.081 -0.544 -8.841 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.580 -0.127 -9.936 1.00 14.36 O ATOM 334 OD2 ASP A 21 6.881 -1.767 -8.605 1.00 18.03 O ATOM 0 H ASP A 21 9.208 0.823 -7.525 1.00 7.50 H new ATOM 0 HA ASP A 21 7.305 2.221 -8.970 1.00 7.70 H new ATOM 0 HB2 ASP A 21 6.902 0.072 -6.774 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.609 0.656 -7.803 1.00 11.00 H new ATOM 339 N THR A 22 5.882 3.639 -7.429 1.00 5.37 N ATOM 340 CA THR A 22 5.192 4.575 -6.607 1.00 6.01 C ATOM 341 C THR A 22 4.114 3.901 -5.680 1.00 8.01 C ATOM 342 O THR A 22 3.623 2.792 -5.972 1.00 8.11 O ATOM 343 CB THR A 22 4.460 5.712 -7.407 1.00 8.92 C ATOM 344 OG1 THR A 22 3.370 5.223 -8.205 1.00 10.22 O ATOM 345 CG2 THR A 22 5.458 6.366 -8.324 1.00 9.65 C ATOM 0 H THR A 22 5.545 3.602 -8.391 1.00 5.37 H new ATOM 0 HA THR A 22 5.993 5.010 -6.009 1.00 6.01 H new ATOM 0 HB THR A 22 4.049 6.411 -6.679 1.00 8.92 H new ATOM 0 HG1 THR A 22 2.950 5.971 -8.679 1.00 10.22 H new ATOM 0 HG21 THR A 22 4.968 7.159 -8.889 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.271 6.789 -7.734 1.00 9.65 H new ATOM 0 HG23 THR A 22 5.859 5.624 -9.014 1.00 9.65 H new ATOM 353 N ILE A 23 3.674 4.596 -4.637 1.00 8.32 N ATOM 354 CA ILE A 23 2.649 4.114 -3.728 1.00 9.92 C ATOM 355 C ILE A 23 1.334 3.853 -4.443 1.00 10.01 C ATOM 356 O ILE A 23 0.608 2.916 -4.092 1.00 8.71 O ATOM 357 CB ILE A 23 2.417 4.955 -2.485 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.693 5.265 -1.737 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.274 4.426 -1.587 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.393 3.920 -1.202 1.00 12.30 C ATOM 0 H ILE A 23 4.026 5.523 -4.399 1.00 8.32 H new ATOM 0 HA ILE A 23 3.061 3.173 -3.362 1.00 9.92 H new ATOM 0 HB ILE A 23 2.057 5.919 -2.844 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.381 5.801 -2.391 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.474 5.924 -0.897 1.00 11.38 H new ATOM 0 HG21 ILE A 23 1.164 5.075 -0.718 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.342 4.416 -2.152 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.509 3.414 -1.257 1.00 10.90 H new ATOM 0 HD11 ILE A 23 5.309 4.174 -0.668 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.713 3.399 -0.528 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.633 3.274 -2.047 1.00 12.30 H new ATOM 372 N GLU A 24 0.968 4.694 -5.490 1.00 9.54 N ATOM 373 CA GLU A 24 -0.235 4.391 -6.328 1.00 11.81 C ATOM 374 C GLU A 24 -0.140 3.057 -7.053 1.00 11.14 C ATOM 375 O GLU A 24 -1.068 2.286 -7.184 1.00 10.62 O ATOM 376 CB GLU A 24 -0.390 5.519 -7.366 1.00 19.24 C ATOM 377 CG GLU A 24 -1.807 5.520 -7.897 1.00 27.76 C ATOM 378 CD GLU A 24 -2.140 6.643 -8.886 1.00 32.92 C ATOM 379 OE1 GLU A 24 -1.853 7.837 -8.606 1.00 36.51 O ATOM 380 OE2 GLU A 24 -2.813 6.359 -9.933 1.00 34.80 O ATOM 0 H GLU A 24 1.471 5.542 -5.752 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.096 4.326 -5.663 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.160 6.482 -6.910 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.317 5.376 -8.183 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.995 4.563 -8.384 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.493 5.588 -7.053 1.00 27.76 H new ATOM 387 N ASN A 25 1.041 2.773 -7.565 1.00 9.43 N ATOM 388 CA ASN A 25 1.384 1.502 -8.226 1.00 10.96 C ATOM 389 C ASN A 25 1.302 0.298 -7.327 1.00 9.68 C ATOM 390 O ASN A 25 0.839 -0.778 -7.762 1.00 9.33 O ATOM 391 CB ASN A 25 2.786 1.613 -8.887 1.00 16.78 C ATOM 392 CG ASN A 25 2.694 2.025 -10.374 1.00 22.31 C ATOM 393 OD1 ASN A 25 2.364 1.241 -11.260 1.00 25.66 O ATOM 394 ND2 ASN A 25 2.997 3.308 -10.669 1.00 24.70 N ATOM 0 H ASN A 25 1.820 3.431 -7.539 1.00 9.43 H new ATOM 0 HA ASN A 25 0.626 1.337 -8.991 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.386 2.344 -8.345 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.301 0.656 -8.807 1.00 16.78 H new ATOM 0 HD21 ASN A 25 2.953 3.633 -11.635 1.00 24.70 H new ATOM 0 HD22 ASN A 25 3.270 3.951 -9.926 1.00 24.70 H new ATOM 401 N VAL A 26 1.809 0.508 -6.081 1.00 6.52 N ATOM 402 CA VAL A 26 1.416 -0.464 -5.016 1.00 5.53 C ATOM 403 C VAL A 26 -0.086 -0.667 -4.868 1.00 4.42 C ATOM 404 O VAL A 26 -0.544 -1.777 -4.724 1.00 3.40 O ATOM 405 CB VAL A 26 2.063 -0.117 -3.709 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.804 -1.183 -2.602 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.565 0.047 -3.891 1.00 8.12 C ATOM 0 H VAL A 26 2.432 1.265 -5.801 1.00 6.52 H new ATOM 0 HA VAL A 26 1.793 -1.432 -5.347 1.00 5.53 H new ATOM 0 HB VAL A 26 1.612 0.820 -3.383 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.297 -0.877 -1.679 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.732 -1.273 -2.428 1.00 7.25 H new ATOM 0 HG13 VAL A 26 2.202 -2.146 -2.924 1.00 7.25 H new ATOM 0 HG21 VAL A 26 4.022 0.299 -2.934 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.990 -0.885 -4.262 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.760 0.845 -4.607 1.00 8.12 H new ATOM 417 N LYS A 27 -0.965 0.395 -4.889 1.00 2.64 N ATOM 418 CA LYS A 27 -2.433 0.262 -4.802 1.00 4.14 C ATOM 419 C LYS A 27 -3.026 -0.437 -6.031 1.00 5.58 C ATOM 420 O LYS A 27 -3.885 -1.302 -5.866 1.00 4.11 O ATOM 421 CB LYS A 27 -3.129 1.579 -4.551 1.00 3.97 C ATOM 422 CG LYS A 27 -2.680 2.233 -3.240 1.00 7.45 C ATOM 423 CD LYS A 27 -3.597 3.428 -2.911 1.00 9.02 C ATOM 424 CE LYS A 27 -3.160 4.723 -3.575 1.00 12.90 C ATOM 425 NZ LYS A 27 -4.093 5.865 -3.396 1.00 15.47 N ATOM 0 H LYS A 27 -0.654 1.363 -4.968 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.616 -0.371 -3.934 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.928 2.257 -5.380 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.207 1.419 -4.524 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.712 1.504 -2.430 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.647 2.569 -3.326 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -4.614 3.193 -3.224 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -3.621 3.572 -1.831 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -2.184 5.005 -3.180 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -3.032 4.542 -4.642 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.714 6.703 -3.882 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -5.021 5.622 -3.799 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.199 6.071 -2.382 1.00 15.47 H new ATOM 439 N ALA A 28 -2.384 -0.220 -7.260 1.00 6.61 N ATOM 440 CA ALA A 28 -2.529 -0.963 -8.426 1.00 7.74 C ATOM 441 C ALA A 28 -2.225 -2.414 -8.394 1.00 9.17 C ATOM 442 O ALA A 28 -2.949 -3.233 -8.937 1.00 11.45 O ATOM 443 CB ALA A 28 -1.746 -0.275 -9.592 1.00 7.68 C ATOM 0 H ALA A 28 -1.726 0.550 -7.382 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.608 -0.957 -8.579 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -1.862 -0.861 -10.504 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.140 0.729 -9.753 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.689 -0.213 -9.333 1.00 7.68 H new ATOM 449 N LYS A 29 -1.190 -2.774 -7.696 1.00 8.96 N ATOM 450 CA LYS A 29 -0.852 -4.177 -7.390 1.00 7.90 C ATOM 451 C LYS A 29 -1.887 -4.912 -6.554 1.00 6.92 C ATOM 452 O LYS A 29 -2.292 -5.991 -6.859 1.00 6.87 O ATOM 453 CB LYS A 29 0.601 -4.265 -6.838 1.00 10.28 C ATOM 454 CG LYS A 29 1.208 -5.685 -6.666 1.00 14.94 C ATOM 455 CD LYS A 29 1.425 -6.501 -7.980 1.00 19.69 C ATOM 456 CE LYS A 29 2.275 -5.724 -8.942 1.00 22.63 C ATOM 457 NZ LYS A 29 2.433 -6.439 -10.220 1.00 24.98 N ATOM 0 H LYS A 29 -0.528 -2.104 -7.304 1.00 8.96 H new ATOM 0 HA LYS A 29 -0.883 -4.730 -8.329 1.00 7.90 H new ATOM 0 HB2 LYS A 29 1.251 -3.698 -7.504 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.625 -3.767 -5.869 1.00 10.28 H new ATOM 0 HG2 LYS A 29 2.168 -5.589 -6.159 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.556 -6.260 -6.008 1.00 14.94 H new ATOM 0 HD2 LYS A 29 1.902 -7.453 -7.750 1.00 19.69 H new ATOM 0 HD3 LYS A 29 0.462 -6.729 -8.437 1.00 19.69 H new ATOM 0 HE2 LYS A 29 1.823 -4.749 -9.123 1.00 22.63 H new ATOM 0 HE3 LYS A 29 3.255 -5.544 -8.500 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 3.026 -5.875 -10.862 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 2.886 -7.359 -10.049 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 1.499 -6.588 -10.652 1.00 24.98 H new ATOM 471 N ILE A 30 -2.405 -4.256 -5.422 1.00 4.57 N ATOM 472 CA ILE A 30 -3.491 -4.663 -4.546 1.00 5.58 C ATOM 473 C ILE A 30 -4.758 -4.839 -5.337 1.00 7.26 C ATOM 474 O ILE A 30 -5.425 -5.834 -5.151 1.00 9.46 O ATOM 475 CB ILE A 30 -3.586 -3.814 -3.292 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.295 -3.839 -2.466 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.829 -4.121 -2.408 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.038 -2.549 -1.709 1.00 2.00 C ATOM 0 H ILE A 30 -2.008 -3.366 -5.120 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.276 -5.649 -4.134 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.725 -2.798 -3.661 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.343 -4.665 -1.756 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.452 -4.037 -3.129 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.822 -3.472 -1.532 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.738 -3.944 -2.984 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.799 -5.162 -2.088 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.109 -2.636 -1.146 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -1.958 -1.722 -2.415 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -2.862 -2.360 -1.021 1.00 2.00 H new ATOM 490 N GLN A 31 -5.081 -3.870 -6.214 1.00 7.06 N ATOM 491 CA GLN A 31 -6.276 -3.825 -6.929 1.00 8.67 C ATOM 492 C GLN A 31 -6.326 -5.103 -7.796 1.00 10.90 C ATOM 493 O GLN A 31 -7.316 -5.777 -7.849 1.00 9.63 O ATOM 494 CB GLN A 31 -6.278 -2.646 -7.917 1.00 9.12 C ATOM 495 CG GLN A 31 -7.454 -2.727 -8.938 1.00 10.76 C ATOM 496 CD GLN A 31 -7.942 -1.462 -9.644 1.00 13.78 C ATOM 497 OE1 GLN A 31 -9.026 -0.978 -9.516 1.00 14.48 O ATOM 498 NE2 GLN A 31 -7.053 -0.837 -10.497 1.00 14.76 N ATOM 0 H GLN A 31 -4.461 -3.087 -6.420 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.108 -3.731 -6.232 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.346 -1.711 -7.362 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.332 -2.627 -8.458 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -7.163 -3.438 -9.711 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.308 -3.156 -8.415 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -6.118 -1.222 -10.631 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -7.332 0.010 -10.993 1.00 14.76 H new ATOM 507 N ASP A 32 -5.207 -5.424 -8.406 1.00 10.93 N ATOM 508 CA ASP A 32 -5.159 -6.631 -9.265 1.00 14.01 C ATOM 509 C ASP A 32 -5.416 -7.943 -8.485 1.00 14.04 C ATOM 510 O ASP A 32 -6.125 -8.838 -8.944 1.00 13.39 O ATOM 511 CB ASP A 32 -3.824 -6.732 -10.029 1.00 18.01 C ATOM 512 CG ASP A 32 -3.683 -5.718 -11.056 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.738 -5.239 -11.595 1.00 26.29 O ATOM 514 OD2 ASP A 32 -2.499 -5.419 -11.414 1.00 25.17 O ATOM 0 H ASP A 32 -4.335 -4.900 -8.341 1.00 10.93 H new ATOM 0 HA ASP A 32 -5.972 -6.511 -9.981 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -2.999 -6.643 -9.322 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.747 -7.718 -10.486 1.00 18.01 H new ATOM 519 N LYS A 33 -4.902 -8.089 -7.268 1.00 14.22 N ATOM 520 CA LYS A 33 -5.104 -9.199 -6.385 1.00 14.00 C ATOM 521 C LYS A 33 -6.402 -9.246 -5.604 1.00 12.37 C ATOM 522 O LYS A 33 -7.144 -10.199 -5.645 1.00 12.17 O ATOM 523 CB LYS A 33 -3.933 -9.374 -5.386 1.00 18.62 C ATOM 524 CG LYS A 33 -2.625 -9.551 -6.112 1.00 24.00 C ATOM 525 CD LYS A 33 -1.495 -10.045 -5.199 1.00 27.61 C ATOM 526 CE LYS A 33 -0.089 -9.926 -5.690 1.00 27.64 C ATOM 527 NZ LYS A 33 0.231 -10.697 -6.873 1.00 30.06 N ATOM 0 H LYS A 33 -4.295 -7.379 -6.859 1.00 14.22 H new ATOM 0 HA LYS A 33 -5.157 -10.024 -7.096 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -3.875 -8.504 -4.732 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.120 -10.239 -4.750 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.762 -10.261 -6.928 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.333 -8.601 -6.561 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -1.566 -9.501 -4.257 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -1.682 -11.095 -4.976 1.00 27.61 H new ATOM 0 HE2 LYS A 33 0.116 -8.876 -5.897 1.00 27.64 H new ATOM 0 HE3 LYS A 33 0.583 -10.230 -4.888 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 1.227 -10.544 -7.128 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 0.074 -11.707 -6.682 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -0.378 -10.395 -7.660 1.00 30.06 H new ATOM 541 N GLU A 34 -6.751 -8.144 -4.966 1.00 10.11 N ATOM 542 CA GLU A 34 -7.865 -8.050 -4.030 1.00 10.07 C ATOM 543 C GLU A 34 -9.184 -7.409 -4.600 1.00 9.32 C ATOM 544 O GLU A 34 -10.248 -7.699 -4.095 1.00 11.61 O ATOM 545 CB GLU A 34 -7.441 -7.240 -2.768 1.00 14.77 C ATOM 546 CG GLU A 34 -6.624 -7.967 -1.673 1.00 18.75 C ATOM 547 CD GLU A 34 -7.526 -8.875 -0.856 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.500 -8.305 -0.251 1.00 21.95 O ATOM 549 OE2 GLU A 34 -7.361 -10.124 -0.841 1.00 25.19 O ATOM 0 H GLU A 34 -6.254 -7.261 -5.086 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.103 -9.088 -3.796 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -6.859 -6.382 -3.103 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.346 -6.849 -2.304 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -5.828 -8.553 -2.133 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.146 -7.236 -1.021 1.00 18.75 H new ATOM 556 N GLY A 35 -9.112 -6.594 -5.694 1.00 7.22 N ATOM 557 CA GLY A 35 -10.276 -6.082 -6.395 1.00 6.29 C ATOM 558 C GLY A 35 -10.782 -4.781 -5.813 1.00 6.93 C ATOM 559 O GLY A 35 -11.924 -4.416 -6.088 1.00 7.41 O ATOM 0 H GLY A 35 -8.227 -6.286 -6.098 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.026 -5.933 -7.445 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.072 -6.825 -6.360 1.00 6.29 H new ATOM 563 N ILE A 36 -9.863 -4.116 -5.114 1.00 5.86 N ATOM 564 CA ILE A 36 -10.170 -2.840 -4.389 1.00 6.07 C ATOM 565 C ILE A 36 -9.599 -1.688 -5.078 1.00 6.36 C ATOM 566 O ILE A 36 -8.390 -1.617 -5.238 1.00 6.18 O ATOM 567 CB ILE A 36 -9.706 -2.930 -2.962 1.00 7.47 C ATOM 568 CG1 ILE A 36 -10.234 -4.278 -2.318 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.265 -1.701 -2.141 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.788 -4.542 -0.865 1.00 9.49 C ATOM 0 H ILE A 36 -8.895 -4.423 -5.022 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.250 -2.695 -4.381 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.616 -2.916 -2.937 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -11.324 -4.272 -2.349 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.902 -5.111 -2.938 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.927 -1.770 -1.107 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.900 -0.773 -2.581 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.355 -1.711 -2.167 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -10.205 -5.489 -0.523 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.700 -4.587 -0.821 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -10.144 -3.736 -0.223 1.00 9.49 H new ATOM 582 N PRO A 37 -10.432 -0.742 -5.542 1.00 8.65 N ATOM 583 CA PRO A 37 -9.992 0.437 -6.250 1.00 9.18 C ATOM 584 C PRO A 37 -8.941 1.252 -5.617 1.00 9.85 C ATOM 585 O PRO A 37 -9.133 1.566 -4.437 1.00 8.51 O ATOM 586 CB PRO A 37 -11.342 1.145 -6.631 1.00 11.42 C ATOM 587 CG PRO A 37 -12.339 -0.012 -6.852 1.00 9.27 C ATOM 588 CD PRO A 37 -11.848 -0.965 -5.819 1.00 8.33 C ATOM 0 HA PRO A 37 -9.404 0.192 -7.135 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.678 1.812 -5.837 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.232 1.751 -7.530 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.373 0.289 -6.685 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.285 -0.424 -7.860 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.426 -0.845 -4.903 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.000 -1.989 -6.160 1.00 8.33 H new ATOM 596 N PRO A 38 -7.917 1.785 -6.281 1.00 8.71 N ATOM 597 CA PRO A 38 -6.853 2.477 -5.636 1.00 9.08 C ATOM 598 C PRO A 38 -7.307 3.770 -4.972 1.00 9.28 C ATOM 599 O PRO A 38 -6.655 4.177 -4.048 1.00 6.50 O ATOM 600 CB PRO A 38 -5.822 2.714 -6.729 1.00 10.31 C ATOM 601 CG PRO A 38 -5.842 1.419 -7.417 1.00 10.81 C ATOM 602 CD PRO A 38 -7.393 1.241 -7.527 1.00 12.00 C ATOM 0 HA PRO A 38 -6.441 1.895 -4.811 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.101 3.536 -7.388 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -4.838 2.951 -6.324 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.349 1.448 -8.389 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.365 0.626 -6.841 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -7.792 1.773 -8.390 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.664 0.192 -7.646 1.00 12.00 H new ATOM 610 N ASP A 39 -8.426 4.426 -5.366 1.00 11.20 N ATOM 611 CA ASP A 39 -9.013 5.548 -4.688 1.00 14.96 C ATOM 612 C ASP A 39 -9.707 5.179 -3.406 1.00 13.99 C ATOM 613 O ASP A 39 -9.871 5.920 -2.451 1.00 13.75 O ATOM 614 CB ASP A 39 -10.037 6.215 -5.672 1.00 24.16 C ATOM 615 CG ASP A 39 -10.506 7.458 -4.998 1.00 31.06 C ATOM 616 OD1 ASP A 39 -9.592 8.190 -4.567 1.00 34.22 O ATOM 617 OD2 ASP A 39 -11.711 7.735 -4.822 1.00 35.55 O ATOM 0 H ASP A 39 -8.945 4.156 -6.202 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.211 6.231 -4.408 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -9.567 6.444 -6.628 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.872 5.545 -5.879 1.00 24.16 H new ATOM 622 N GLN A 40 -10.188 3.906 -3.370 1.00 11.60 N ATOM 623 CA GLN A 40 -10.933 3.456 -2.263 1.00 10.76 C ATOM 624 C GLN A 40 -9.973 2.954 -1.175 1.00 8.01 C ATOM 625 O GLN A 40 -10.294 2.772 -0.008 1.00 8.96 O ATOM 626 CB GLN A 40 -11.827 2.219 -2.675 1.00 11.14 C ATOM 627 CG GLN A 40 -12.874 1.814 -1.616 1.00 14.85 C ATOM 628 CD GLN A 40 -13.785 0.615 -2.063 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.809 -0.493 -1.500 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.580 0.830 -3.129 1.00 18.16 N ATOM 0 H GLN A 40 -10.052 3.215 -4.107 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.549 4.283 -1.909 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -12.341 2.451 -3.608 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.178 1.366 -2.873 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -12.360 1.545 -0.693 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -13.504 2.675 -1.391 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.569 1.735 -3.599 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.193 0.088 -3.466 1.00 18.16 H new ATOM 639 N GLN A 41 -8.688 2.702 -1.560 1.00 6.52 N ATOM 640 CA GLN A 41 -7.684 2.289 -0.641 1.00 3.87 C ATOM 641 C GLN A 41 -6.993 3.463 0.059 1.00 4.79 C ATOM 642 O GLN A 41 -6.790 4.554 -0.458 1.00 6.34 O ATOM 643 CB GLN A 41 -6.555 1.509 -1.321 1.00 4.20 C ATOM 644 CG GLN A 41 -6.924 0.188 -1.987 1.00 3.20 C ATOM 645 CD GLN A 41 -5.746 -0.433 -2.720 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.639 -0.483 -2.171 1.00 5.21 O ATOM 647 NE2 GLN A 41 -5.924 -1.052 -3.931 1.00 7.13 N ATOM 0 H GLN A 41 -8.360 2.791 -2.522 1.00 6.52 H new ATOM 0 HA GLN A 41 -8.228 1.671 0.073 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.106 2.154 -2.076 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.786 1.308 -0.575 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.288 -0.509 -1.232 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.741 0.353 -2.689 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -6.833 -1.017 -4.393 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.148 -1.547 -4.370 1.00 7.13 H new ATOM 656 N ARG A 42 -6.506 3.256 1.321 1.00 5.73 N ATOM 657 CA ARG A 42 -5.462 4.012 1.955 1.00 6.97 C ATOM 658 C ARG A 42 -4.387 3.076 2.483 1.00 7.15 C ATOM 659 O ARG A 42 -4.617 2.062 3.104 1.00 7.33 O ATOM 660 CB ARG A 42 -6.068 4.910 3.091 1.00 13.23 C ATOM 661 CG ARG A 42 -6.786 6.207 2.564 1.00 21.27 C ATOM 662 CD ARG A 42 -7.263 7.079 3.739 1.00 26.14 C ATOM 663 NE ARG A 42 -7.504 8.463 3.241 1.00 32.26 N ATOM 664 CZ ARG A 42 -7.867 9.510 4.033 1.00 34.32 C ATOM 665 NH1 ARG A 42 -8.319 9.355 5.262 1.00 35.30 N ATOM 666 NH2 ARG A 42 -7.879 10.733 3.557 1.00 36.39 N ATOM 0 H ARG A 42 -6.870 2.517 1.922 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.992 4.672 1.226 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.782 4.320 3.666 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.271 5.200 3.775 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -6.102 6.777 1.935 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.637 5.930 1.941 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -8.177 6.668 4.168 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.514 7.088 4.531 1.00 26.14 H new ATOM 0 HE ARG A 42 -7.390 8.637 2.243 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -8.409 8.419 5.658 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -8.578 10.171 5.817 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -7.615 10.905 2.587 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -8.152 11.511 4.157 1.00 36.39 H new ATOM 680 N LEU A 43 -3.125 3.443 2.337 1.00 4.65 N ATOM 681 CA LEU A 43 -1.988 2.655 2.824 1.00 3.51 C ATOM 682 C LEU A 43 -1.219 3.415 3.956 1.00 5.56 C ATOM 683 O LEU A 43 -0.929 4.647 3.880 1.00 4.19 O ATOM 684 CB LEU A 43 -1.005 2.288 1.716 1.00 3.74 C ATOM 685 CG LEU A 43 -1.445 1.248 0.652 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.526 1.126 -0.603 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.637 -0.151 1.293 1.00 6.41 C ATOM 0 H LEU A 43 -2.850 4.308 1.871 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.413 1.732 3.219 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.738 3.206 1.192 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.096 1.915 2.189 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.391 1.640 0.279 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.930 0.371 -1.278 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.483 2.086 -1.117 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.478 0.836 -0.292 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -1.945 -0.863 0.527 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -0.697 -0.480 1.737 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.403 -0.095 2.066 1.00 6.41 H new ATOM 699 N ILE A 44 -0.964 2.716 5.078 1.00 4.58 N ATOM 700 CA ILE A 44 -0.199 3.217 6.238 1.00 5.55 C ATOM 701 C ILE A 44 0.993 2.352 6.455 1.00 5.46 C ATOM 702 O ILE A 44 0.929 1.146 6.367 1.00 6.04 O ATOM 703 CB ILE A 44 -1.083 3.183 7.464 1.00 6.80 C ATOM 704 CG1 ILE A 44 -1.991 4.386 7.427 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.414 3.077 8.850 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.260 4.407 8.287 1.00 13.90 C ATOM 0 H ILE A 44 -1.294 1.759 5.207 1.00 4.58 H new ATOM 0 HA ILE A 44 0.129 4.240 6.052 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.609 2.232 7.384 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -1.394 5.254 7.707 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -2.297 4.531 6.391 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.181 3.064 9.624 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.170 2.158 8.903 1.00 7.39 H new ATOM 0 HG23 ILE A 44 0.242 3.934 9.004 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.788 5.348 8.133 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -3.907 3.577 8.002 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.989 4.311 9.338 1.00 13.90 H new ATOM 718 N PHE A 45 2.169 2.969 6.755 1.00 6.75 N ATOM 719 CA PHE A 45 3.330 2.219 7.240 1.00 4.70 C ATOM 720 C PHE A 45 3.980 3.102 8.232 1.00 6.34 C ATOM 721 O PHE A 45 4.187 4.306 8.021 1.00 5.45 O ATOM 722 CB PHE A 45 4.271 1.746 6.121 1.00 5.51 C ATOM 723 CG PHE A 45 5.676 1.353 6.586 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.839 0.218 7.436 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.738 2.278 6.487 1.00 5.87 C ATOM 726 CE1 PHE A 45 7.083 -0.015 8.063 1.00 6.68 C ATOM 727 CE2 PHE A 45 8.006 2.038 7.067 1.00 6.64 C ATOM 728 CZ PHE A 45 8.168 0.892 7.902 1.00 6.84 C ATOM 0 H PHE A 45 2.324 3.973 6.666 1.00 6.75 H new ATOM 0 HA PHE A 45 3.025 1.277 7.696 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.817 0.891 5.621 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.358 2.540 5.379 1.00 5.51 H new ATOM 0 HD1 PHE A 45 5.014 -0.460 7.599 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.577 3.201 5.950 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.213 -0.896 8.675 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.833 2.707 6.882 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.106 0.715 8.407 1.00 6.84 H new ATOM 738 N ALA A 46 4.380 2.523 9.373 1.00 6.53 N ATOM 739 CA ALA A 46 5.125 3.212 10.417 1.00 7.15 C ATOM 740 C ALA A 46 4.352 4.233 11.186 1.00 9.00 C ATOM 741 O ALA A 46 4.864 5.253 11.715 1.00 11.15 O ATOM 742 CB ALA A 46 6.518 3.670 9.946 1.00 8.99 C ATOM 0 H ALA A 46 4.188 1.546 9.593 1.00 6.53 H new ATOM 0 HA ALA A 46 5.312 2.453 11.177 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.030 4.178 10.764 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.101 2.803 9.636 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.411 4.354 9.104 1.00 8.99 H new ATOM 748 N GLY A 47 2.966 4.057 11.300 1.00 9.35 N ATOM 749 CA GLY A 47 2.087 4.965 12.044 1.00 11.68 C ATOM 750 C GLY A 47 1.575 6.168 11.243 1.00 11.14 C ATOM 751 O GLY A 47 0.682 6.940 11.677 1.00 13.93 O ATOM 0 H GLY A 47 2.470 3.277 10.868 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.230 4.399 12.410 1.00 11.68 H new ATOM 0 HA3 GLY A 47 2.624 5.331 12.919 1.00 11.68 H new ATOM 755 N LYS A 48 2.042 6.224 9.923 1.00 10.47 N ATOM 756 CA LYS A 48 1.745 7.334 9.028 1.00 8.82 C ATOM 757 C LYS A 48 1.158 6.843 7.716 1.00 7.68 C ATOM 758 O LYS A 48 1.480 5.768 7.177 1.00 6.47 O ATOM 759 CB LYS A 48 2.899 8.189 8.696 1.00 9.74 C ATOM 760 CG LYS A 48 3.761 8.646 9.955 1.00 14.14 C ATOM 761 CD LYS A 48 4.904 9.583 9.547 1.00 16.32 C ATOM 762 CE LYS A 48 6.192 8.859 9.059 1.00 20.04 C ATOM 763 NZ LYS A 48 7.218 9.803 8.629 1.00 23.92 N ATOM 0 H LYS A 48 2.618 5.496 9.501 1.00 10.47 H new ATOM 0 HA LYS A 48 1.031 7.935 9.592 1.00 8.82 H new ATOM 0 HB2 LYS A 48 3.547 7.652 8.003 1.00 9.74 H new ATOM 0 HB3 LYS A 48 2.540 9.077 8.175 1.00 9.74 H new ATOM 0 HG2 LYS A 48 3.116 9.150 10.675 1.00 14.14 H new ATOM 0 HG3 LYS A 48 4.170 7.768 10.454 1.00 14.14 H new ATOM 0 HD2 LYS A 48 4.551 10.242 8.754 1.00 16.32 H new ATOM 0 HD3 LYS A 48 5.159 10.216 10.397 1.00 16.32 H new ATOM 0 HE2 LYS A 48 6.585 8.237 9.863 1.00 20.04 H new ATOM 0 HE3 LYS A 48 5.943 8.193 8.233 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 8.059 9.281 8.312 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 6.852 10.380 7.845 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 7.475 10.423 9.424 1.00 23.92 H new ATOM 777 N GLN A 49 0.254 7.644 7.102 1.00 8.89 N ATOM 778 CA GLN A 49 -0.240 7.423 5.752 1.00 7.18 C ATOM 779 C GLN A 49 0.775 7.582 4.643 1.00 8.23 C ATOM 780 O GLN A 49 1.591 8.480 4.658 1.00 9.70 O ATOM 781 CB GLN A 49 -1.461 8.316 5.491 1.00 11.67 C ATOM 782 CG GLN A 49 -2.514 7.721 4.533 1.00 15.82 C ATOM 783 CD GLN A 49 -3.678 8.688 4.410 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.575 8.720 5.287 1.00 23.23 O ATOM 785 NE2 GLN A 49 -3.728 9.446 3.292 1.00 20.67 N ATOM 0 H GLN A 49 -0.148 8.468 7.549 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.511 6.368 5.721 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.942 8.535 6.444 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.116 9.266 5.082 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.071 7.539 3.554 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.863 6.759 4.908 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -2.977 9.390 2.604 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -4.516 10.074 3.137 1.00 20.67 H new ATOM 794 N LEU A 50 0.805 6.720 3.590 1.00 6.51 N ATOM 795 CA LEU A 50 1.827 6.790 2.525 1.00 7.41 C ATOM 796 C LEU A 50 1.423 7.630 1.300 1.00 8.27 C ATOM 797 O LEU A 50 0.313 7.408 0.792 1.00 8.34 O ATOM 798 CB LEU A 50 2.234 5.388 2.007 1.00 7.13 C ATOM 799 CG LEU A 50 2.921 4.484 3.062 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.858 2.974 2.662 1.00 8.14 C ATOM 801 CD2 LEU A 50 4.399 4.901 3.319 1.00 9.11 C ATOM 0 H LEU A 50 0.128 5.968 3.462 1.00 6.51 H new ATOM 0 HA LEU A 50 2.664 7.282 3.021 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.344 4.880 1.637 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.907 5.510 1.159 1.00 7.13 H new ATOM 0 HG LEU A 50 2.362 4.622 3.988 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.350 2.374 3.427 1.00 8.14 H new ATOM 0 HD12 LEU A 50 1.817 2.664 2.572 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.363 2.829 1.707 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.839 4.239 4.065 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.965 4.828 2.390 1.00 9.11 H new ATOM 0 HD23 LEU A 50 4.429 5.928 3.682 1.00 9.11 H new ATOM 813 N GLU A 51 2.217 8.628 0.813 1.00 9.43 N ATOM 814 CA GLU A 51 1.851 9.488 -0.316 1.00 11.90 C ATOM 815 C GLU A 51 1.916 8.960 -1.707 1.00 11.49 C ATOM 816 O GLU A 51 2.942 8.449 -2.121 1.00 9.88 O ATOM 817 CB GLU A 51 2.641 10.875 -0.245 1.00 16.56 C ATOM 818 CG GLU A 51 2.511 11.529 1.127 1.00 26.06 C ATOM 819 CD GLU A 51 3.056 12.954 1.227 1.00 29.86 C ATOM 820 OE1 GLU A 51 4.266 13.241 0.982 1.00 32.13 O ATOM 821 OE2 GLU A 51 2.269 13.913 1.572 1.00 33.44 O ATOM 0 H GLU A 51 3.132 8.847 1.207 1.00 9.43 H new ATOM 0 HA GLU A 51 0.778 9.588 -0.153 1.00 11.90 H new ATOM 0 HB2 GLU A 51 3.694 10.706 -0.469 1.00 16.56 H new ATOM 0 HB3 GLU A 51 2.257 11.552 -1.009 1.00 16.56 H new ATOM 0 HG2 GLU A 51 1.458 11.540 1.407 1.00 26.06 H new ATOM 0 HG3 GLU A 51 3.029 10.908 1.858 1.00 26.06 H new ATOM 828 N ASP A 52 0.828 9.010 -2.494 1.00 12.71 N ATOM 829 CA ASP A 52 0.591 8.364 -3.774 1.00 16.56 C ATOM 830 C ASP A 52 1.725 8.530 -4.844 1.00 15.83 C ATOM 831 O ASP A 52 2.064 7.610 -5.581 1.00 17.21 O ATOM 832 CB ASP A 52 -0.695 8.890 -4.306 1.00 21.05 C ATOM 833 CG ASP A 52 -1.920 8.471 -3.492 1.00 25.12 C ATOM 834 OD1 ASP A 52 -1.941 8.625 -2.225 1.00 28.37 O ATOM 835 OD2 ASP A 52 -2.921 8.023 -4.085 1.00 25.82 O ATOM 0 H ASP A 52 0.018 9.562 -2.211 1.00 12.71 H new ATOM 0 HA ASP A 52 0.565 7.291 -3.585 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.646 9.978 -4.337 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -0.819 8.548 -5.333 1.00 21.05 H new ATOM 840 N GLY A 53 2.238 9.765 -4.997 1.00 15.00 N ATOM 841 CA GLY A 53 3.319 10.213 -5.914 1.00 11.77 C ATOM 842 C GLY A 53 4.656 10.014 -5.365 1.00 11.10 C ATOM 843 O GLY A 53 5.629 10.277 -6.028 1.00 11.25 O ATOM 0 H GLY A 53 1.883 10.543 -4.441 1.00 15.00 H new ATOM 0 HA2 GLY A 53 3.236 9.671 -6.856 1.00 11.77 H new ATOM 0 HA3 GLY A 53 3.180 11.270 -6.141 1.00 11.77 H new ATOM 847 N ARG A 54 4.806 9.548 -4.079 1.00 8.53 N ATOM 848 CA ARG A 54 6.109 9.123 -3.535 1.00 9.05 C ATOM 849 C ARG A 54 6.340 7.674 -3.881 1.00 8.96 C ATOM 850 O ARG A 54 5.474 6.896 -4.267 1.00 11.60 O ATOM 851 CB ARG A 54 6.121 9.227 -2.007 1.00 7.97 C ATOM 852 CG ARG A 54 6.303 10.698 -1.499 1.00 9.62 C ATOM 853 CD ARG A 54 6.699 10.785 -0.054 1.00 12.20 C ATOM 854 NE ARG A 54 6.784 12.183 0.303 1.00 18.23 N ATOM 855 CZ ARG A 54 7.876 12.974 0.181 1.00 22.08 C ATOM 856 NH1 ARG A 54 9.025 12.657 -0.385 1.00 25.50 N ATOM 857 NH2 ARG A 54 7.757 14.251 0.567 1.00 23.38 N ATOM 0 H ARG A 54 4.034 9.464 -3.418 1.00 8.53 H new ATOM 0 HA ARG A 54 6.879 9.767 -3.960 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.188 8.824 -1.613 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.927 8.609 -1.612 1.00 7.97 H new ATOM 0 HG2 ARG A 54 7.061 11.193 -2.106 1.00 9.62 H new ATOM 0 HG3 ARG A 54 5.371 11.243 -1.646 1.00 9.62 H new ATOM 0 HD2 ARG A 54 5.967 10.276 0.573 1.00 12.20 H new ATOM 0 HD3 ARG A 54 7.657 10.291 0.109 1.00 12.20 H new ATOM 0 HE ARG A 54 5.941 12.615 0.683 1.00 18.23 H new ATOM 0 HH11 ARG A 54 9.156 11.730 -0.789 1.00 25.50 H new ATOM 0 HH12 ARG A 54 9.782 13.339 -0.419 1.00 25.50 H new ATOM 0 HH21 ARG A 54 6.869 14.592 0.935 1.00 23.38 H new ATOM 0 HH22 ARG A 54 8.554 14.883 0.493 1.00 23.38 H new ATOM 871 N THR A 55 7.608 7.165 -3.659 1.00 9.05 N ATOM 872 CA THR A 55 8.081 5.843 -4.066 1.00 9.03 C ATOM 873 C THR A 55 8.308 5.043 -2.820 1.00 8.15 C ATOM 874 O THR A 55 8.550 5.579 -1.755 1.00 5.91 O ATOM 875 CB THR A 55 9.267 5.688 -5.003 1.00 11.15 C ATOM 876 OG1 THR A 55 10.486 6.304 -4.533 1.00 11.95 O ATOM 877 CG2 THR A 55 8.980 6.205 -6.372 1.00 11.71 C ATOM 0 H THR A 55 8.327 7.704 -3.175 1.00 9.05 H new ATOM 0 HA THR A 55 7.280 5.490 -4.716 1.00 9.03 H new ATOM 0 HB THR A 55 9.426 4.610 -5.033 1.00 11.15 H new ATOM 0 HG1 THR A 55 11.213 5.648 -4.554 1.00 11.95 H new ATOM 0 HG21 THR A 55 9.859 6.071 -7.003 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.140 5.657 -6.799 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.731 7.265 -6.316 1.00 11.71 H new ATOM 885 N LEU A 56 8.296 3.669 -2.917 1.00 6.91 N ATOM 886 CA LEU A 56 8.788 2.726 -1.928 1.00 8.29 C ATOM 887 C LEU A 56 10.194 3.116 -1.478 1.00 8.05 C ATOM 888 O LEU A 56 10.484 3.218 -0.322 1.00 10.17 O ATOM 889 CB LEU A 56 8.805 1.239 -2.497 1.00 6.60 C ATOM 890 CG LEU A 56 7.441 0.596 -2.652 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.561 -0.756 -3.374 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.845 0.360 -1.270 1.00 8.64 C ATOM 0 H LEU A 56 7.918 3.198 -3.739 1.00 6.91 H new ATOM 0 HA LEU A 56 8.109 2.759 -1.076 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.300 1.243 -3.468 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.409 0.619 -1.834 1.00 6.60 H new ATOM 0 HG LEU A 56 6.804 1.258 -3.238 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.572 -1.203 -3.476 1.00 9.85 H new ATOM 0 HD12 LEU A 56 7.994 -0.603 -4.362 1.00 9.85 H new ATOM 0 HD13 LEU A 56 8.202 -1.422 -2.796 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.863 -0.102 -1.371 1.00 8.64 H new ATOM 0 HD22 LEU A 56 7.499 -0.299 -0.699 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.745 1.312 -0.749 1.00 8.64 H new ATOM 904 N SER A 57 11.071 3.367 -2.437 1.00 8.92 N ATOM 905 CA SER A 57 12.442 3.846 -2.228 1.00 9.00 C ATOM 906 C SER A 57 12.554 5.146 -1.427 1.00 9.44 C ATOM 907 O SER A 57 13.505 5.366 -0.664 1.00 10.91 O ATOM 908 CB SER A 57 13.328 3.838 -3.510 1.00 10.32 C ATOM 909 OG SER A 57 12.865 4.741 -4.481 1.00 13.59 O ATOM 0 H SER A 57 10.845 3.240 -3.424 1.00 8.92 H new ATOM 0 HA SER A 57 12.873 3.085 -1.578 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.354 4.090 -3.242 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.346 2.833 -3.931 1.00 10.32 H new ATOM 0 HG SER A 57 13.450 4.705 -5.267 1.00 13.59 H new ATOM 915 N ASP A 58 11.582 6.046 -1.557 1.00 9.11 N ATOM 916 CA ASP A 58 11.502 7.324 -0.833 1.00 7.91 C ATOM 917 C ASP A 58 11.159 7.155 0.608 1.00 9.12 C ATOM 918 O ASP A 58 11.530 7.809 1.556 1.00 8.61 O ATOM 919 CB ASP A 58 10.515 8.177 -1.624 1.00 8.41 C ATOM 920 CG ASP A 58 10.816 9.596 -1.432 1.00 11.50 C ATOM 921 OD1 ASP A 58 12.026 9.989 -1.468 1.00 11.70 O ATOM 922 OD2 ASP A 58 9.897 10.386 -1.134 1.00 10.05 O ATOM 0 H ASP A 58 10.796 5.905 -2.192 1.00 9.11 H new ATOM 0 HA ASP A 58 12.470 7.822 -0.781 1.00 7.91 H new ATOM 0 HB2 ASP A 58 10.571 7.925 -2.683 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.496 7.965 -1.299 1.00 8.41 H new ATOM 927 N TYR A 59 10.366 6.162 0.919 1.00 7.97 N ATOM 928 CA TYR A 59 10.025 5.795 2.270 1.00 8.45 C ATOM 929 C TYR A 59 10.951 4.730 2.824 1.00 10.98 C ATOM 930 O TYR A 59 10.781 4.376 3.954 1.00 12.95 O ATOM 931 CB TYR A 59 8.616 5.167 2.191 1.00 7.94 C ATOM 932 CG TYR A 59 7.545 6.260 2.257 1.00 6.91 C ATOM 933 CD1 TYR A 59 7.432 7.124 3.332 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.783 6.427 1.127 1.00 6.98 C ATOM 935 CE1 TYR A 59 6.508 8.192 3.284 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.808 7.430 1.113 1.00 6.52 C ATOM 937 CZ TYR A 59 5.636 8.304 2.229 1.00 6.76 C ATOM 938 OH TYR A 59 4.581 9.260 2.311 1.00 7.63 O ATOM 0 H TYR A 59 9.926 5.568 0.217 1.00 7.97 H new ATOM 0 HA TYR A 59 10.092 6.674 2.911 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.513 4.602 1.264 1.00 7.94 H new ATOM 0 HB3 TYR A 59 8.478 4.462 3.011 1.00 7.94 H new ATOM 0 HD1 TYR A 59 8.049 6.982 4.207 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.934 5.795 0.264 1.00 6.98 H new ATOM 0 HE1 TYR A 59 6.487 8.922 4.079 1.00 5.39 H new ATOM 0 HE2 TYR A 59 5.176 7.545 0.245 1.00 6.52 H new ATOM 0 HH TYR A 59 4.867 10.017 2.864 1.00 7.63 H new ATOM 948 N ASN A 60 11.959 4.236 2.025 1.00 12.38 N ATOM 949 CA ASN A 60 13.054 3.255 2.310 1.00 13.94 C ATOM 950 C ASN A 60 12.510 1.905 2.715 1.00 14.16 C ATOM 951 O ASN A 60 12.987 1.188 3.612 1.00 14.26 O ATOM 952 CB ASN A 60 14.130 3.683 3.387 1.00 19.23 C ATOM 953 CG ASN A 60 14.955 4.812 2.700 1.00 22.65 C ATOM 954 OD1 ASN A 60 15.756 4.632 1.821 1.00 25.45 O ATOM 955 ND2 ASN A 60 14.670 6.079 3.008 1.00 24.09 N ATOM 0 H ASN A 60 12.025 4.556 1.059 1.00 12.38 H new ATOM 0 HA ASN A 60 13.573 3.214 1.352 1.00 13.94 H new ATOM 0 HB2 ASN A 60 13.655 4.041 4.300 1.00 19.23 H new ATOM 0 HB3 ASN A 60 14.766 2.843 3.666 1.00 19.23 H new ATOM 0 HD21 ASN A 60 15.125 6.841 2.505 1.00 24.09 H new ATOM 0 HD22 ASN A 60 13.997 6.285 3.746 1.00 24.09 H new ATOM 962 N ILE A 61 11.392 1.572 2.088 1.00 11.08 N ATOM 963 CA ILE A 61 10.564 0.384 2.251 1.00 11.78 C ATOM 964 C ILE A 61 11.292 -0.743 1.506 1.00 13.74 C ATOM 965 O ILE A 61 11.542 -0.653 0.348 1.00 14.60 O ATOM 966 CB ILE A 61 9.114 0.601 1.732 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.401 1.500 2.704 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.408 -0.743 1.784 1.00 13.29 C ATOM 969 CD1 ILE A 61 7.066 1.960 2.213 1.00 11.42 C ATOM 0 H ILE A 61 11.001 2.191 1.378 1.00 11.08 H new ATOM 0 HA ILE A 61 10.439 0.135 3.305 1.00 11.78 H new ATOM 0 HB ILE A 61 9.121 1.023 0.727 1.00 11.80 H new ATOM 0 HG12 ILE A 61 8.271 0.972 3.649 1.00 11.56 H new ATOM 0 HG13 ILE A 61 9.025 2.370 2.909 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.385 -0.630 1.426 1.00 13.29 H new ATOM 0 HG22 ILE A 61 8.937 -1.457 1.152 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.395 -1.108 2.811 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.605 2.605 2.962 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.192 2.516 1.284 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.426 1.096 2.035 1.00 11.42 H new ATOM 981 N GLN A 62 11.712 -1.841 2.186 1.00 13.97 N ATOM 982 CA GLN A 62 12.582 -2.841 1.614 1.00 15.52 C ATOM 983 C GLN A 62 11.953 -4.219 1.799 1.00 13.94 C ATOM 984 O GLN A 62 10.948 -4.335 2.437 1.00 12.15 O ATOM 985 CB GLN A 62 13.974 -2.825 2.162 1.00 19.53 C ATOM 986 CG GLN A 62 14.936 -1.769 1.567 1.00 26.38 C ATOM 987 CD GLN A 62 16.364 -1.973 2.110 1.00 30.61 C ATOM 988 OE1 GLN A 62 17.304 -1.566 1.440 1.00 33.23 O ATOM 989 NE2 GLN A 62 16.557 -2.477 3.345 1.00 32.71 N ATOM 0 H GLN A 62 11.442 -2.037 3.150 1.00 13.97 H new ATOM 0 HA GLN A 62 12.683 -2.602 0.555 1.00 15.52 H new ATOM 0 HB2 GLN A 62 13.915 -2.665 3.239 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.413 -3.811 2.009 1.00 19.53 H new ATOM 0 HG2 GLN A 62 14.940 -1.844 0.480 1.00 26.38 H new ATOM 0 HG3 GLN A 62 14.585 -0.768 1.816 1.00 26.38 H new ATOM 0 HE21 GLN A 62 15.762 -2.812 3.889 1.00 32.71 H new ATOM 0 HE22 GLN A 62 17.498 -2.524 3.735 1.00 32.71 H new ATOM 998 N LYS A 63 12.552 -5.262 1.218 1.00 11.73 N ATOM 999 CA LYS A 63 12.181 -6.618 1.320 1.00 11.97 C ATOM 1000 C LYS A 63 11.724 -7.154 2.708 1.00 10.41 C ATOM 1001 O LYS A 63 12.411 -6.956 3.679 1.00 9.59 O ATOM 1002 CB LYS A 63 13.169 -7.616 0.554 1.00 13.73 C ATOM 1003 CG LYS A 63 14.540 -7.909 1.203 1.00 16.98 C ATOM 1004 CD LYS A 63 15.428 -8.945 0.347 1.00 20.19 C ATOM 1005 CE LYS A 63 15.554 -8.528 -1.117 1.00 23.42 C ATOM 1006 NZ LYS A 63 16.278 -7.304 -1.314 1.00 25.97 N ATOM 0 H LYS A 63 13.371 -5.136 0.623 1.00 11.73 H new ATOM 0 HA LYS A 63 11.238 -6.608 0.773 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.651 -8.566 0.423 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.349 -7.211 -0.442 1.00 13.73 H new ATOM 0 HG2 LYS A 63 15.090 -6.975 1.317 1.00 16.98 H new ATOM 0 HG3 LYS A 63 14.384 -8.312 2.204 1.00 16.98 H new ATOM 0 HD2 LYS A 63 16.422 -9.019 0.788 1.00 20.19 H new ATOM 0 HD3 LYS A 63 14.980 -9.937 0.403 1.00 20.19 H new ATOM 0 HE2 LYS A 63 16.051 -9.325 -1.670 1.00 23.42 H new ATOM 0 HE3 LYS A 63 14.556 -8.420 -1.541 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 16.322 -7.086 -2.330 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 15.794 -6.530 -0.815 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 17.243 -7.407 -0.940 1.00 25.97 H new ATOM 1020 N GLU A 64 10.551 -7.829 2.705 1.00 10.04 N ATOM 1021 CA GLU A 64 9.999 -8.490 3.850 1.00 10.94 C ATOM 1022 C GLU A 64 9.291 -7.474 4.805 1.00 9.74 C ATOM 1023 O GLU A 64 8.692 -7.911 5.813 1.00 9.42 O ATOM 1024 CB GLU A 64 10.836 -9.544 4.632 1.00 18.31 C ATOM 1025 CG GLU A 64 11.055 -10.783 3.634 1.00 24.16 C ATOM 1026 CD GLU A 64 12.080 -11.735 4.237 1.00 29.00 C ATOM 1027 OE1 GLU A 64 12.640 -11.517 5.362 1.00 31.72 O ATOM 1028 OE2 GLU A 64 12.395 -12.791 3.563 1.00 32.61 O ATOM 0 H GLU A 64 9.969 -7.915 1.872 1.00 10.04 H new ATOM 0 HA GLU A 64 9.280 -9.154 3.370 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.792 -9.125 4.946 1.00 18.31 H new ATOM 0 HB3 GLU A 64 10.315 -9.861 5.535 1.00 18.31 H new ATOM 0 HG2 GLU A 64 10.112 -11.303 3.468 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.398 -10.427 2.663 1.00 24.16 H new ATOM 1035 N SER A 65 9.380 -6.159 4.493 1.00 6.85 N ATOM 1036 CA SER A 65 8.574 -5.077 5.043 1.00 6.90 C ATOM 1037 C SER A 65 7.061 -5.430 5.121 1.00 4.72 C ATOM 1038 O SER A 65 6.545 -6.255 4.338 1.00 3.91 O ATOM 1039 CB SER A 65 8.729 -3.671 4.395 1.00 7.28 C ATOM 1040 OG SER A 65 8.153 -2.618 5.125 1.00 10.56 O ATOM 0 H SER A 65 10.059 -5.821 3.811 1.00 6.85 H new ATOM 0 HA SER A 65 9.003 -4.989 6.041 1.00 6.90 H new ATOM 0 HB2 SER A 65 9.791 -3.463 4.261 1.00 7.28 H new ATOM 0 HB3 SER A 65 8.281 -3.693 3.402 1.00 7.28 H new ATOM 0 HG SER A 65 8.657 -1.794 4.963 1.00 10.56 H new ATOM 1046 N THR A 66 6.302 -4.759 6.033 1.00 4.48 N ATOM 1047 CA THR A 66 4.948 -5.019 6.304 1.00 3.80 C ATOM 1048 C THR A 66 4.164 -3.744 6.500 1.00 4.60 C ATOM 1049 O THR A 66 4.478 -3.006 7.458 1.00 5.33 O ATOM 1050 CB THR A 66 4.677 -5.992 7.486 1.00 2.85 C ATOM 1051 OG1 THR A 66 5.433 -7.179 7.278 1.00 2.15 O ATOM 1052 CG2 THR A 66 3.184 -6.432 7.415 1.00 3.40 C ATOM 0 H THR A 66 6.679 -3.998 6.598 1.00 4.48 H new ATOM 0 HA THR A 66 4.602 -5.537 5.410 1.00 3.80 H new ATOM 0 HB THR A 66 4.927 -5.506 8.429 1.00 2.85 H new ATOM 0 HG1 THR A 66 5.273 -7.802 8.017 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.967 -7.117 8.235 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.542 -5.555 7.495 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.997 -6.933 6.465 1.00 3.40 H new ATOM 1060 N LEU A 67 3.184 -3.500 5.644 1.00 4.17 N ATOM 1061 CA LEU A 67 2.404 -2.281 5.509 1.00 3.85 C ATOM 1062 C LEU A 67 0.968 -2.641 5.948 1.00 3.80 C ATOM 1063 O LEU A 67 0.583 -3.761 5.968 1.00 5.54 O ATOM 1064 CB LEU A 67 2.387 -1.704 4.125 1.00 7.18 C ATOM 1065 CG LEU A 67 3.656 -1.769 3.201 1.00 9.67 C ATOM 1066 CD1 LEU A 67 3.417 -0.993 1.931 1.00 8.12 C ATOM 1067 CD2 LEU A 67 4.971 -1.212 3.906 1.00 11.66 C ATOM 0 H LEU A 67 2.890 -4.208 4.971 1.00 4.17 H new ATOM 0 HA LEU A 67 2.860 -1.506 6.125 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.575 -2.193 3.586 1.00 7.18 H new ATOM 0 HB3 LEU A 67 2.117 -0.652 4.222 1.00 7.18 H new ATOM 0 HG LEU A 67 3.820 -2.824 2.982 1.00 9.67 H new ATOM 0 HD11 LEU A 67 4.304 -1.046 1.300 1.00 8.12 H new ATOM 0 HD12 LEU A 67 2.567 -1.419 1.399 1.00 8.12 H new ATOM 0 HD13 LEU A 67 3.207 0.048 2.175 1.00 8.12 H new ATOM 0 HD21 LEU A 67 5.812 -1.284 3.216 1.00 11.66 H new ATOM 0 HD22 LEU A 67 4.820 -0.170 4.186 1.00 11.66 H new ATOM 0 HD23 LEU A 67 5.182 -1.801 4.799 1.00 11.66 H new ATOM 1079 N HIS A 68 0.181 -1.583 6.304 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.194 -1.667 6.643 1.00 4.17 C ATOM 1081 C HIS A 68 -2.037 -1.104 5.534 1.00 5.32 C ATOM 1082 O HIS A 68 -1.672 -0.107 4.897 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.308 -0.817 7.878 1.00 5.57 C ATOM 1084 CG HIS A 68 -2.663 -0.979 8.567 1.00 9.95 C ATOM 1085 ND1 HIS A 68 -3.360 -2.180 8.640 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -3.326 -0.104 9.359 1.00 12.79 C ATOM 1087 CE1 HIS A 68 -4.388 -2.004 9.524 1.00 14.75 C ATOM 1088 NE2 HIS A 68 -4.415 -0.743 9.893 1.00 16.30 N ATOM 0 H HIS A 68 0.542 -0.630 6.351 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.534 -2.690 6.802 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -0.514 -1.084 8.575 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -1.160 0.230 7.612 1.00 5.57 H new ATOM 0 HD1 HIS A 68 -3.144 -3.035 8.128 1.00 13.74 H new ATOM 0 HD2 HIS A 68 -3.045 0.923 9.540 1.00 12.79 H new ATOM 0 HE1 HIS A 68 -5.066 -2.774 9.863 1.00 14.75 H new ATOM 1096 N LEU A 69 -3.241 -1.700 5.290 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.200 -1.324 4.265 1.00 3.97 C ATOM 1098 C LEU A 69 -5.528 -1.020 4.914 1.00 5.07 C ATOM 1099 O LEU A 69 -6.091 -1.869 5.592 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.368 -2.429 3.197 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.596 -2.339 2.222 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.627 -1.074 1.401 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.740 -3.586 1.379 1.00 9.96 C ATOM 0 H LEU A 69 -3.563 -2.494 5.844 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.823 -0.438 3.755 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.462 -2.446 2.591 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.424 -3.387 3.715 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.478 -2.282 2.859 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.503 -1.083 0.752 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.676 -0.211 2.065 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.725 -1.013 0.792 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.601 -3.482 0.719 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -4.840 -3.727 0.781 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -5.883 -4.450 2.028 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.095 0.193 4.788 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.381 0.607 5.311 1.00 6.26 C ATOM 1117 C VAL A 70 -8.265 1.211 4.229 1.00 9.22 C ATOM 1118 O VAL A 70 -7.787 1.778 3.248 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.365 1.546 6.516 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -6.434 1.012 7.670 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.878 2.947 6.189 1.00 8.54 C ATOM 0 H VAL A 70 -5.627 0.947 4.285 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.792 -0.333 5.678 1.00 6.26 H new ATOM 0 HB VAL A 70 -8.408 1.582 6.831 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -6.453 1.711 8.506 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -6.791 0.037 8.004 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -5.413 0.917 7.300 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -6.894 3.558 7.092 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -5.860 2.897 5.802 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -7.530 3.393 5.438 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.636 1.100 4.266 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.495 1.570 3.253 1.00 16.06 C ATOM 1133 C LEU A 71 -11.133 2.905 3.517 1.00 18.09 C ATOM 1134 O LEU A 71 -11.239 3.316 4.694 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.590 0.596 2.785 1.00 17.10 C ATOM 1136 CG LEU A 71 -11.014 -0.825 2.309 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -12.075 -1.775 1.799 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -9.921 -0.663 1.191 1.00 19.57 C ATOM 0 H LEU A 71 -10.132 0.662 5.043 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.773 1.678 2.443 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -12.299 0.439 3.598 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -12.143 1.050 1.963 1.00 17.10 H new ATOM 0 HG LEU A 71 -10.577 -1.256 3.210 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -11.609 -2.713 1.496 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -12.800 -1.969 2.589 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -12.582 -1.329 0.943 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -9.555 -1.646 0.895 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -10.356 -0.162 0.326 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -9.092 -0.068 1.576 1.00 19.57 H new ATOM 1150 N ARG A 72 -11.567 3.620 2.429 1.00 21.47 N ATOM 1151 CA ARG A 72 -11.783 5.076 2.404 1.00 25.83 C ATOM 1152 C ARG A 72 -13.091 5.410 1.732 1.00 27.74 C ATOM 1153 O ARG A 72 -13.274 5.045 0.552 1.00 30.65 O ATOM 1154 CB ARG A 72 -10.603 5.716 1.714 1.00 28.49 C ATOM 1155 CG ARG A 72 -10.795 7.213 1.311 1.00 31.79 C ATOM 1156 CD ARG A 72 -10.980 8.184 2.495 1.00 34.05 C ATOM 1157 NE ARG A 72 -11.200 9.590 1.918 1.00 35.08 N ATOM 1158 CZ ARG A 72 -11.479 10.696 2.668 1.00 34.67 C ATOM 1159 NH1 ARG A 72 -11.768 10.616 3.954 1.00 34.97 N ATOM 1160 NH2 ARG A 72 -11.659 11.872 2.040 1.00 35.02 N ATOM 0 H ARG A 72 -11.776 3.175 1.535 1.00 21.47 H new ATOM 0 HA ARG A 72 -11.853 5.469 3.418 1.00 25.83 H new ATOM 0 HB2 ARG A 72 -9.736 5.642 2.370 1.00 28.49 H new ATOM 0 HB3 ARG A 72 -10.373 5.142 0.816 1.00 28.49 H new ATOM 0 HG2 ARG A 72 -9.930 7.532 0.730 1.00 31.79 H new ATOM 0 HG3 ARG A 72 -11.664 7.290 0.657 1.00 31.79 H new ATOM 0 HD2 ARG A 72 -11.832 7.884 3.106 1.00 34.05 H new ATOM 0 HD3 ARG A 72 -10.103 8.169 3.142 1.00 34.05 H new ATOM 0 HE ARG A 72 -11.133 9.705 0.907 1.00 35.08 H new ATOM 0 HH11 ARG A 72 -11.788 9.707 4.417 1.00 34.97 H new ATOM 0 HH12 ARG A 72 -11.972 11.463 4.485 1.00 34.97 H new ATOM 0 HH21 ARG A 72 -11.586 11.924 1.024 1.00 35.02 H new ATOM 0 HH22 ARG A 72 -11.868 12.712 2.580 1.00 35.02 H new ATOM 1174 N LEU A 73 -13.997 6.185 2.412 1.00 28.93 N ATOM 1175 CA LEU A 73 -15.237 6.830 1.849 1.00 30.76 C ATOM 1176 C LEU A 73 -14.928 8.251 1.397 1.00 32.18 C ATOM 1177 O LEU A 73 -14.504 9.056 2.173 1.00 32.31 O ATOM 1178 CB LEU A 73 -16.376 6.908 2.859 1.00 30.53 C ATOM 1179 CG LEU A 73 -16.809 5.509 3.276 1.00 30.16 C ATOM 1180 CD1 LEU A 73 -17.584 5.720 4.614 1.00 29.57 C ATOM 1181 CD2 LEU A 73 -17.652 4.698 2.233 1.00 29.11 C ATOM 0 H LEU A 73 -13.881 6.386 3.405 1.00 28.93 H new ATOM 0 HA LEU A 73 -15.551 6.203 1.015 1.00 30.76 H new ATOM 0 HB2 LEU A 73 -16.057 7.473 3.735 1.00 30.53 H new ATOM 0 HB3 LEU A 73 -17.220 7.443 2.425 1.00 30.53 H new ATOM 0 HG LEU A 73 -15.926 4.877 3.373 1.00 30.16 H new ATOM 0 HD11 LEU A 73 -17.934 4.758 4.987 1.00 29.57 H new ATOM 0 HD12 LEU A 73 -16.922 6.176 5.350 1.00 29.57 H new ATOM 0 HD13 LEU A 73 -18.438 6.374 4.440 1.00 29.57 H new ATOM 0 HD21 LEU A 73 -17.899 3.720 2.646 1.00 29.11 H new ATOM 0 HD22 LEU A 73 -18.571 5.239 2.008 1.00 29.11 H new ATOM 0 HD23 LEU A 73 -17.073 4.570 1.318 1.00 29.11 H new ATOM 1193 N ARG A 74 -15.210 8.480 0.111 1.00 33.82 N ATOM 1194 CA ARG A 74 -15.095 9.708 -0.599 1.00 35.33 C ATOM 1195 C ARG A 74 -16.169 10.711 -0.111 1.00 36.22 C ATOM 1196 O ARG A 74 -17.328 10.336 0.163 1.00 36.70 O ATOM 1197 CB ARG A 74 -14.942 9.510 -2.110 1.00 36.91 C ATOM 1198 CG ARG A 74 -14.810 10.756 -2.937 1.00 38.62 C ATOM 1199 CD ARG A 74 -14.396 10.569 -4.361 1.00 39.75 C ATOM 1200 NE ARG A 74 -12.929 10.238 -4.364 1.00 41.13 N ATOM 1201 CZ ARG A 74 -11.871 11.103 -4.458 1.00 41.91 C ATOM 1202 NH1 ARG A 74 -12.089 12.396 -4.305 1.00 42.75 N ATOM 1203 NH2 ARG A 74 -10.622 10.709 -4.553 1.00 41.93 N ATOM 0 H ARG A 74 -15.552 7.731 -0.490 1.00 33.82 H new ATOM 0 HA ARG A 74 -14.148 10.191 -0.357 1.00 35.33 H new ATOM 0 HB2 ARG A 74 -14.064 8.889 -2.286 1.00 36.91 H new ATOM 0 HB3 ARG A 74 -15.805 8.951 -2.470 1.00 36.91 H new ATOM 0 HG2 ARG A 74 -15.768 11.277 -2.925 1.00 38.62 H new ATOM 0 HG3 ARG A 74 -14.085 11.411 -2.454 1.00 38.62 H new ATOM 0 HD2 ARG A 74 -14.971 9.768 -4.826 1.00 39.75 H new ATOM 0 HD3 ARG A 74 -14.586 11.474 -4.938 1.00 39.75 H new ATOM 0 HE ARG A 74 -12.693 9.249 -4.287 1.00 41.13 H new ATOM 0 HH11 ARG A 74 -13.033 12.736 -4.120 1.00 42.75 H new ATOM 0 HH12 ARG A 74 -11.314 13.055 -4.372 1.00 42.75 H new ATOM 0 HH21 ARG A 74 -10.400 9.713 -4.559 1.00 41.93 H new ATOM 0 HH22 ARG A 74 -9.873 11.399 -4.620 1.00 41.93 H new ATOM 1217 N GLY A 75 -15.839 12.016 -0.137 1.00 36.31 N ATOM 1218 CA GLY A 75 -16.711 13.128 0.224 1.00 36.07 C ATOM 1219 C GLY A 75 -16.543 13.571 1.648 1.00 36.16 C ATOM 1220 O GLY A 75 -16.989 14.646 1.983 1.00 36.26 O ATOM 0 H GLY A 75 -14.912 12.329 -0.425 1.00 36.31 H new ATOM 0 HA2 GLY A 75 -16.509 13.970 -0.438 1.00 36.07 H new ATOM 0 HA3 GLY A 75 -17.748 12.836 0.061 1.00 36.07 H new ATOM 1224 N GLY A 76 -15.733 12.810 2.419 1.00 36.05 N ATOM 1225 CA GLY A 76 -15.619 13.192 3.814 1.00 36.19 C ATOM 1226 C GLY A 76 -14.189 12.730 4.308 1.00 36.20 C ATOM 1227 O GLY A 76 -13.172 13.229 3.800 1.00 0.00 O ATOM 1228 OXT GLY A 76 -14.106 11.895 5.251 1.00 0.00 O ATOM 0 H GLY A 76 -15.196 11.997 2.119 1.00 36.05 H new ATOM 0 HA2 GLY A 76 -15.737 14.270 3.929 1.00 36.19 H new ATOM 0 HA3 GLY A 76 -16.402 12.721 4.408 1.00 36.19 H new TER 1232 GLY A 76