USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 586 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 7 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 9 THR OG1 : rot 180:sc= 0.0165 USER MOD Single : A 1 MET CE :methyl -178:sc= 0 (180deg=-0.0034) USER MOD Single : A 1 MET N :NH3+ 177:sc= 2.48 (180deg=2.43) USER MOD Single : A 2 GLN : amide:sc= 0 K(o=0,f=1) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 162:sc= 0.246 (180deg=-0.195) USER MOD Single : A 12 THR OG1 : rot 180:sc=-0.00529 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.476 USER MOD Single : A 25 ASN : amide:sc= -0.126 K(o=-0.13,f=-1.5) USER MOD Single : A 27 LYS NZ :NH3+ -166:sc= 1.28 (180deg=1.01) USER MOD Single : A 29 LYS NZ :NH3+ -179:sc= 1.22 (180deg=1.17) USER MOD Single : A 31 GLN : amide:sc= -0.295 X(o=-0.3,f=-0.33) USER MOD Single : A 33 LYS NZ :NH3+ -161:sc= 0 (180deg=-0.371) USER MOD Single : A 40 GLN : amide:sc= -0.626 K(o=-0.63,f=-3.9!) USER MOD Single : A 41 GLN : amide:sc= -0.49 K(o=-0.49,f=-5.9!) 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) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.0897 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 30:sc= 0.202 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+ 151:sc= 1.03 (180deg=0.482) USER MOD Single : A 65 SER OG : rot 131:sc= 1.25 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= 0.0395 X(o=0.039,f=-0.32) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.537 -4.366 -4.357 1.00 0.78 N ATOM 2 CA MET A 1 12.473 -4.819 -2.950 1.00 0.70 C ATOM 3 C MET A 1 11.148 -5.365 -2.541 1.00 0.62 C ATOM 4 O MET A 1 10.103 -4.895 -2.984 1.00 0.68 O ATOM 5 CB MET A 1 12.989 -3.713 -2.015 1.00 0.75 C ATOM 6 CG MET A 1 12.047 -2.543 -1.725 1.00 0.79 C ATOM 7 SD MET A 1 12.772 -1.266 -0.653 1.00 1.10 S ATOM 8 CE MET A 1 11.168 -0.422 -0.545 1.00 0.84 C ATOM 0 H1 MET A 1 13.473 -3.955 -4.547 1.00 0.78 H new ATOM 0 H2 MET A 1 12.380 -5.176 -4.990 1.00 0.78 H new ATOM 0 H3 MET A 1 11.803 -3.648 -4.524 1.00 0.78 H new ATOM 0 HA MET A 1 13.138 -5.678 -2.861 1.00 0.70 H new ATOM 0 HB2 MET A 1 13.258 -4.173 -1.064 1.00 0.75 H new ATOM 0 HB3 MET A 1 13.906 -3.309 -2.444 1.00 0.75 H new ATOM 0 HG2 MET A 1 11.749 -2.086 -2.669 1.00 0.79 H new ATOM 0 HG3 MET A 1 11.141 -2.926 -1.256 1.00 0.79 H new ATOM 0 HE1 MET A 1 11.273 0.484 0.053 1.00 0.84 H new ATOM 0 HE2 MET A 1 10.827 -0.159 -1.546 1.00 0.84 H new ATOM 0 HE3 MET A 1 10.440 -1.084 -0.076 1.00 0.84 H new ATOM 20 N GLN A 2 11.077 -6.389 -1.672 1.00 0.59 N ATOM 21 CA GLN A 2 9.817 -6.976 -1.339 1.00 0.56 C ATOM 22 C GLN A 2 9.202 -6.377 -0.120 1.00 0.50 C ATOM 23 O GLN A 2 9.868 -6.344 0.914 1.00 0.60 O ATOM 24 CB GLN A 2 10.100 -8.475 -1.145 1.00 0.71 C ATOM 25 CG GLN A 2 8.831 -9.328 -1.092 1.00 1.15 C ATOM 26 CD GLN A 2 9.082 -10.828 -1.008 1.00 1.30 C ATOM 27 OE1 GLN A 2 8.848 -11.477 0.010 1.00 1.87 O ATOM 28 NE2 GLN A 2 9.544 -11.459 -2.120 1.00 1.72 N ATOM 0 H GLN A 2 11.882 -6.806 -1.205 1.00 0.59 H new ATOM 0 HA GLN A 2 9.090 -6.795 -2.131 1.00 0.56 H new ATOM 0 HB2 GLN A 2 10.732 -8.827 -1.960 1.00 0.71 H new ATOM 0 HB3 GLN A 2 10.663 -8.615 -0.222 1.00 0.71 H new ATOM 0 HG2 GLN A 2 8.239 -9.023 -0.229 1.00 1.15 H new ATOM 0 HG3 GLN A 2 8.232 -9.122 -1.979 1.00 1.15 H new ATOM 0 HE21 GLN A 2 9.739 -10.924 -2.966 1.00 1.72 H new ATOM 0 HE22 GLN A 2 9.695 -12.468 -2.108 1.00 1.72 H new ATOM 37 N ILE A 3 7.919 -6.016 -0.303 1.00 0.44 N ATOM 38 CA ILE A 3 7.059 -5.490 0.711 1.00 0.42 C ATOM 39 C ILE A 3 5.765 -6.228 0.736 1.00 0.40 C ATOM 40 O ILE A 3 5.257 -6.781 -0.237 1.00 0.50 O ATOM 41 CB ILE A 3 6.838 -4.014 0.562 1.00 0.48 C ATOM 42 CG1 ILE A 3 5.988 -3.643 -0.665 1.00 0.55 C ATOM 43 CG2 ILE A 3 8.191 -3.283 0.575 1.00 0.61 C ATOM 44 CD1 ILE A 3 5.409 -2.236 -0.790 1.00 0.72 C ATOM 0 H ILE A 3 7.457 -6.096 -1.209 1.00 0.44 H new ATOM 0 HA ILE A 3 7.560 -5.636 1.668 1.00 0.42 H new ATOM 0 HB ILE A 3 6.250 -3.682 1.418 1.00 0.48 H new ATOM 0 HG12 ILE A 3 6.599 -3.823 -1.550 1.00 0.55 H new ATOM 0 HG13 ILE A 3 5.153 -4.343 -0.706 1.00 0.55 H new ATOM 0 HG21 ILE A 3 8.026 -2.211 0.467 1.00 0.61 H new ATOM 0 HG22 ILE A 3 8.701 -3.478 1.518 1.00 0.61 H new ATOM 0 HG23 ILE A 3 8.806 -3.641 -0.251 1.00 0.61 H new ATOM 0 HD11 ILE A 3 4.840 -2.158 -1.716 1.00 0.72 H new ATOM 0 HD12 ILE A 3 4.753 -2.036 0.057 1.00 0.72 H new ATOM 0 HD13 ILE A 3 6.220 -1.508 -0.800 1.00 0.72 H new ATOM 56 N PHE A 4 5.209 -6.275 1.960 1.00 0.37 N ATOM 57 CA PHE A 4 4.006 -7.022 2.156 1.00 0.38 C ATOM 58 C PHE A 4 2.897 -6.052 2.378 1.00 0.39 C ATOM 59 O PHE A 4 3.035 -5.080 3.118 1.00 0.60 O ATOM 60 CB PHE A 4 4.097 -8.016 3.325 1.00 0.45 C ATOM 61 CG PHE A 4 5.283 -8.911 3.208 1.00 0.51 C ATOM 62 CD1 PHE A 4 5.420 -9.817 2.182 1.00 1.30 C ATOM 63 CD2 PHE A 4 6.359 -8.799 4.057 1.00 1.16 C ATOM 64 CE1 PHE A 4 6.487 -10.659 1.975 1.00 1.40 C ATOM 65 CE2 PHE A 4 7.451 -9.621 3.914 1.00 1.23 C ATOM 66 CZ PHE A 4 7.494 -10.553 2.904 1.00 0.85 C ATOM 0 H PHE A 4 5.578 -5.812 2.790 1.00 0.37 H new ATOM 0 HA PHE A 4 3.826 -7.628 1.268 1.00 0.38 H new ATOM 0 HB2 PHE A 4 4.149 -7.466 4.265 1.00 0.45 H new ATOM 0 HB3 PHE A 4 3.190 -8.619 3.359 1.00 0.45 H new ATOM 0 HD1 PHE A 4 4.610 -9.872 1.469 1.00 1.30 H new ATOM 0 HD2 PHE A 4 6.346 -8.059 4.843 1.00 1.16 H new ATOM 0 HE1 PHE A 4 6.530 -11.350 1.146 1.00 1.40 H new ATOM 0 HE2 PHE A 4 8.281 -9.534 4.600 1.00 1.23 H new ATOM 0 HZ PHE A 4 8.342 -11.219 2.839 1.00 0.85 H new ATOM 76 N VAL A 5 1.781 -6.228 1.648 1.00 0.35 N ATOM 77 CA VAL A 5 0.593 -5.458 1.851 1.00 0.35 C ATOM 78 C VAL A 5 -0.395 -6.476 2.304 1.00 0.35 C ATOM 79 O VAL A 5 -0.585 -7.581 1.796 1.00 0.46 O ATOM 80 CB VAL A 5 0.150 -4.701 0.634 1.00 0.44 C ATOM 81 CG1 VAL A 5 -1.003 -3.738 0.967 1.00 0.58 C ATOM 82 CG2 VAL A 5 1.355 -3.891 0.125 1.00 0.56 C ATOM 0 H VAL A 5 1.702 -6.919 0.902 1.00 0.35 H new ATOM 0 HA VAL A 5 0.736 -4.657 2.576 1.00 0.35 H new ATOM 0 HB VAL A 5 -0.206 -5.402 -0.121 1.00 0.44 H new ATOM 0 HG11 VAL A 5 -1.303 -3.204 0.065 1.00 0.58 H new ATOM 0 HG12 VAL A 5 -1.851 -4.305 1.351 1.00 0.58 H new ATOM 0 HG13 VAL A 5 -0.673 -3.023 1.720 1.00 0.58 H new ATOM 0 HG21 VAL A 5 1.066 -3.327 -0.762 1.00 0.56 H new ATOM 0 HG22 VAL A 5 1.684 -3.201 0.902 1.00 0.56 H new ATOM 0 HG23 VAL A 5 2.170 -4.570 -0.126 1.00 0.56 H new ATOM 92 N LYS A 6 -1.107 -6.201 3.412 1.00 0.36 N ATOM 93 CA LYS A 6 -2.183 -6.959 3.971 1.00 0.39 C ATOM 94 C LYS A 6 -3.531 -6.334 3.875 1.00 0.46 C ATOM 95 O LYS A 6 -3.611 -5.131 4.118 1.00 0.53 O ATOM 96 CB LYS A 6 -2.103 -7.362 5.453 1.00 0.54 C ATOM 97 CG LYS A 6 -1.027 -8.439 5.609 1.00 1.22 C ATOM 98 CD LYS A 6 -1.052 -9.006 7.029 1.00 1.37 C ATOM 99 CE LYS A 6 -0.060 -10.150 7.245 1.00 1.93 C ATOM 100 NZ LYS A 6 0.066 -10.497 8.679 1.00 2.09 N ATOM 0 H LYS A 6 -0.908 -5.369 3.967 1.00 0.36 H new ATOM 0 HA LYS A 6 -2.055 -7.830 3.328 1.00 0.39 H new ATOM 0 HB2 LYS A 6 -1.862 -6.495 6.068 1.00 0.54 H new ATOM 0 HB3 LYS A 6 -3.067 -7.738 5.795 1.00 0.54 H new ATOM 0 HG2 LYS A 6 -1.194 -9.238 4.887 1.00 1.22 H new ATOM 0 HG3 LYS A 6 -0.045 -8.017 5.395 1.00 1.22 H new ATOM 0 HD2 LYS A 6 -0.831 -8.206 7.735 1.00 1.37 H new ATOM 0 HD3 LYS A 6 -2.058 -9.361 7.253 1.00 1.37 H new ATOM 0 HE2 LYS A 6 -0.386 -11.026 6.685 1.00 1.93 H new ATOM 0 HE3 LYS A 6 0.916 -9.866 6.851 1.00 1.93 H new ATOM 0 HZ1 LYS A 6 0.746 -11.276 8.789 1.00 2.09 H new ATOM 0 HZ2 LYS A 6 0.401 -9.667 9.209 1.00 2.09 H new ATOM 0 HZ3 LYS A 6 -0.861 -10.792 9.048 1.00 2.09 H new ATOM 114 N THR A 7 -4.616 -7.111 3.708 1.00 0.58 N ATOM 115 CA THR A 7 -5.962 -6.628 3.733 1.00 0.78 C ATOM 116 C THR A 7 -6.575 -7.011 5.036 1.00 0.94 C ATOM 117 O THR A 7 -6.014 -7.777 5.817 1.00 0.99 O ATOM 118 CB THR A 7 -6.744 -6.959 2.496 1.00 0.90 C ATOM 119 OG1 THR A 7 -7.287 -8.269 2.547 1.00 0.90 O ATOM 120 CG2 THR A 7 -5.970 -6.922 1.167 1.00 0.92 C ATOM 0 H THR A 7 -4.553 -8.117 3.549 1.00 0.58 H new ATOM 0 HA THR A 7 -5.973 -5.539 3.690 1.00 0.78 H new ATOM 0 HB THR A 7 -7.493 -6.167 2.500 1.00 0.90 H new ATOM 0 HG1 THR A 7 -7.790 -8.447 1.725 1.00 0.90 H new ATOM 0 HG21 THR A 7 -6.641 -7.179 0.348 1.00 0.92 H new ATOM 0 HG22 THR A 7 -5.569 -5.921 1.007 1.00 0.92 H new ATOM 0 HG23 THR A 7 -5.151 -7.640 1.203 1.00 0.92 H new ATOM 128 N LEU A 8 -7.782 -6.540 5.396 1.00 1.17 N ATOM 129 CA LEU A 8 -8.546 -6.894 6.553 1.00 1.39 C ATOM 130 C LEU A 8 -9.174 -8.245 6.503 1.00 1.44 C ATOM 131 O LEU A 8 -9.243 -8.881 7.554 1.00 1.60 O ATOM 132 CB LEU A 8 -9.643 -5.854 6.832 1.00 1.66 C ATOM 133 CG LEU A 8 -9.121 -4.511 7.370 1.00 2.11 C ATOM 134 CD1 LEU A 8 -10.200 -3.441 7.130 1.00 2.53 C ATOM 135 CD2 LEU A 8 -8.792 -4.553 8.872 1.00 2.43 C ATOM 0 H LEU A 8 -8.266 -5.848 4.824 1.00 1.17 H new ATOM 0 HA LEU A 8 -7.813 -6.916 7.359 1.00 1.39 H new ATOM 0 HB2 LEU A 8 -10.197 -5.672 5.911 1.00 1.66 H new ATOM 0 HB3 LEU A 8 -10.348 -6.271 7.551 1.00 1.66 H new ATOM 0 HG LEU A 8 -8.195 -4.281 6.843 1.00 2.11 H new ATOM 0 HD11 LEU A 8 -9.849 -2.480 7.505 1.00 2.53 H new ATOM 0 HD12 LEU A 8 -10.403 -3.362 6.062 1.00 2.53 H new ATOM 0 HD13 LEU A 8 -11.114 -3.722 7.653 1.00 2.53 H new ATOM 0 HD21 LEU A 8 -8.429 -3.577 9.192 1.00 2.43 H new ATOM 0 HD22 LEU A 8 -9.690 -4.808 9.434 1.00 2.43 H new ATOM 0 HD23 LEU A 8 -8.024 -5.304 9.055 1.00 2.43 H new ATOM 147 N THR A 9 -9.723 -8.688 5.358 1.00 1.41 N ATOM 148 CA THR A 9 -10.438 -9.911 5.163 1.00 1.51 C ATOM 149 C THR A 9 -9.640 -11.155 4.973 1.00 1.37 C ATOM 150 O THR A 9 -9.950 -12.228 5.488 1.00 1.62 O ATOM 151 CB THR A 9 -11.384 -9.839 4.003 1.00 1.65 C ATOM 152 OG1 THR A 9 -10.736 -9.321 2.851 1.00 1.89 O ATOM 153 CG2 THR A 9 -12.575 -8.923 4.330 1.00 2.08 C ATOM 0 H THR A 9 -9.661 -8.144 4.498 1.00 1.41 H new ATOM 0 HA THR A 9 -10.946 -9.997 6.124 1.00 1.51 H new ATOM 0 HB THR A 9 -11.732 -10.853 3.808 1.00 1.65 H new ATOM 0 HG1 THR A 9 -11.372 -9.285 2.106 1.00 1.89 H new ATOM 0 HG21 THR A 9 -13.250 -8.884 3.475 1.00 2.08 H new ATOM 0 HG22 THR A 9 -13.109 -9.315 5.196 1.00 2.08 H new ATOM 0 HG23 THR A 9 -12.212 -7.919 4.551 1.00 2.08 H new ATOM 161 N GLY A 10 -8.504 -11.045 4.260 1.00 1.18 N ATOM 162 CA GLY A 10 -7.692 -12.219 4.179 1.00 1.22 C ATOM 163 C GLY A 10 -6.332 -12.139 3.573 1.00 0.99 C ATOM 164 O GLY A 10 -5.401 -12.654 4.190 1.00 1.31 O ATOM 0 H GLY A 10 -8.166 -10.214 3.775 1.00 1.18 H new ATOM 0 HA2 GLY A 10 -7.574 -12.604 5.192 1.00 1.22 H new ATOM 0 HA3 GLY A 10 -8.255 -12.965 3.618 1.00 1.22 H new ATOM 168 N LYS A 11 -6.218 -11.644 2.328 1.00 0.73 N ATOM 169 CA LYS A 11 -5.044 -11.497 1.527 1.00 0.60 C ATOM 170 C LYS A 11 -3.852 -10.762 2.036 1.00 0.51 C ATOM 171 O LYS A 11 -3.905 -9.594 2.421 1.00 0.63 O ATOM 172 CB LYS A 11 -5.460 -10.971 0.143 1.00 0.75 C ATOM 173 CG LYS A 11 -4.362 -10.980 -0.924 1.00 0.87 C ATOM 174 CD LYS A 11 -3.827 -12.368 -1.283 1.00 1.04 C ATOM 175 CE LYS A 11 -2.966 -12.495 -2.542 1.00 1.30 C ATOM 176 NZ LYS A 11 -3.826 -12.313 -3.731 1.00 1.40 N ATOM 0 H LYS A 11 -7.044 -11.310 1.830 1.00 0.73 H new ATOM 0 HA LYS A 11 -4.640 -12.509 1.524 1.00 0.60 H new ATOM 0 HB2 LYS A 11 -6.297 -11.569 -0.217 1.00 0.75 H new ATOM 0 HB3 LYS A 11 -5.824 -9.950 0.256 1.00 0.75 H new ATOM 0 HG2 LYS A 11 -4.750 -10.511 -1.828 1.00 0.87 H new ATOM 0 HG3 LYS A 11 -3.532 -10.365 -0.576 1.00 0.87 H new ATOM 0 HD2 LYS A 11 -3.241 -12.730 -0.438 1.00 1.04 H new ATOM 0 HD3 LYS A 11 -4.680 -13.038 -1.391 1.00 1.04 H new ATOM 0 HE2 LYS A 11 -2.172 -11.748 -2.533 1.00 1.30 H new ATOM 0 HE3 LYS A 11 -2.484 -13.472 -2.572 1.00 1.30 H new ATOM 0 HZ1 LYS A 11 -3.234 -12.093 -4.557 1.00 1.40 H new ATOM 0 HZ2 LYS A 11 -4.360 -13.187 -3.910 1.00 1.40 H new ATOM 0 HZ3 LYS A 11 -4.490 -11.530 -3.563 1.00 1.40 H new ATOM 190 N THR A 12 -2.669 -11.394 1.929 1.00 0.49 N ATOM 191 CA THR A 12 -1.400 -10.766 2.135 1.00 0.48 C ATOM 192 C THR A 12 -0.761 -10.765 0.788 1.00 0.52 C ATOM 193 O THR A 12 -0.477 -11.833 0.248 1.00 0.72 O ATOM 194 CB THR A 12 -0.403 -11.475 3.002 1.00 0.64 C ATOM 195 OG1 THR A 12 -0.884 -11.787 4.301 1.00 0.77 O ATOM 196 CG2 THR A 12 0.945 -10.738 3.083 1.00 0.78 C ATOM 0 H THR A 12 -2.594 -12.383 1.689 1.00 0.49 H new ATOM 0 HA THR A 12 -1.615 -9.816 2.624 1.00 0.48 H new ATOM 0 HB THR A 12 -0.237 -12.426 2.496 1.00 0.64 H new ATOM 0 HG1 THR A 12 -0.183 -12.248 4.807 1.00 0.77 H new ATOM 0 HG21 THR A 12 1.627 -11.297 3.724 1.00 0.78 H new ATOM 0 HG22 THR A 12 1.373 -10.652 2.084 1.00 0.78 H new ATOM 0 HG23 THR A 12 0.791 -9.742 3.498 1.00 0.78 H new ATOM 204 N ILE A 13 -0.515 -9.588 0.187 1.00 0.48 N ATOM 205 CA ILE A 13 -0.042 -9.461 -1.156 1.00 0.55 C ATOM 206 C ILE A 13 1.442 -9.338 -1.098 1.00 0.51 C ATOM 207 O ILE A 13 2.001 -8.542 -0.346 1.00 0.56 O ATOM 208 CB ILE A 13 -0.512 -8.206 -1.828 1.00 0.69 C ATOM 209 CG1 ILE A 13 -1.902 -7.810 -1.301 1.00 1.15 C ATOM 210 CG2 ILE A 13 -0.527 -8.293 -3.363 1.00 1.13 C ATOM 211 CD1 ILE A 13 -2.468 -6.593 -2.031 1.00 1.55 C ATOM 0 H ILE A 13 -0.651 -8.691 0.654 1.00 0.48 H new ATOM 0 HA ILE A 13 -0.408 -10.326 -1.708 1.00 0.55 H new ATOM 0 HB ILE A 13 0.215 -7.434 -1.576 1.00 0.69 H new ATOM 0 HG12 ILE A 13 -2.586 -8.651 -1.415 1.00 1.15 H new ATOM 0 HG13 ILE A 13 -1.837 -7.595 -0.234 1.00 1.15 H new ATOM 0 HG21 ILE A 13 -0.878 -7.348 -3.778 1.00 1.13 H new ATOM 0 HG22 ILE A 13 0.481 -8.496 -3.726 1.00 1.13 H new ATOM 0 HG23 ILE A 13 -1.194 -9.096 -3.675 1.00 1.13 H new ATOM 0 HD11 ILE A 13 -3.450 -6.350 -1.626 1.00 1.55 H new ATOM 0 HD12 ILE A 13 -1.799 -5.743 -1.895 1.00 1.55 H new ATOM 0 HD13 ILE A 13 -2.559 -6.816 -3.094 1.00 1.55 H new ATOM 223 N THR A 14 2.142 -10.168 -1.892 1.00 0.55 N ATOM 224 CA THR A 14 3.558 -10.095 -2.079 1.00 0.54 C ATOM 225 C THR A 14 3.790 -9.168 -3.222 1.00 0.55 C ATOM 226 O THR A 14 3.499 -9.408 -4.392 1.00 0.72 O ATOM 227 CB THR A 14 4.308 -11.368 -2.337 1.00 0.67 C ATOM 228 OG1 THR A 14 4.013 -12.418 -1.428 1.00 1.08 O ATOM 229 CG2 THR A 14 5.815 -11.086 -2.210 1.00 1.03 C ATOM 0 H THR A 14 1.704 -10.920 -2.425 1.00 0.55 H new ATOM 0 HA THR A 14 3.955 -9.765 -1.119 1.00 0.54 H new ATOM 0 HB THR A 14 4.006 -11.693 -3.332 1.00 0.67 H new ATOM 0 HG1 THR A 14 4.538 -13.211 -1.663 1.00 1.08 H new ATOM 0 HG21 THR A 14 6.374 -12.003 -2.395 1.00 1.03 H new ATOM 0 HG22 THR A 14 6.106 -10.330 -2.939 1.00 1.03 H new ATOM 0 HG23 THR A 14 6.034 -10.724 -1.205 1.00 1.03 H new ATOM 237 N LEU A 15 4.361 -7.990 -2.912 1.00 0.50 N ATOM 238 CA LEU A 15 4.781 -6.989 -3.843 1.00 0.55 C ATOM 239 C LEU A 15 6.245 -6.755 -3.984 1.00 0.52 C ATOM 240 O LEU A 15 6.925 -6.700 -2.960 1.00 0.58 O ATOM 241 CB LEU A 15 4.241 -5.573 -3.584 1.00 0.69 C ATOM 242 CG LEU A 15 2.708 -5.483 -3.665 1.00 0.76 C ATOM 243 CD1 LEU A 15 2.355 -3.995 -3.502 1.00 1.38 C ATOM 244 CD2 LEU A 15 2.166 -5.846 -5.058 1.00 1.55 C ATOM 0 H LEU A 15 4.541 -7.720 -1.945 1.00 0.50 H new ATOM 0 HA LEU A 15 4.364 -7.455 -4.736 1.00 0.55 H new ATOM 0 HB2 LEU A 15 4.566 -5.242 -2.597 1.00 0.69 H new ATOM 0 HB3 LEU A 15 4.677 -4.887 -4.310 1.00 0.69 H new ATOM 0 HG LEU A 15 2.292 -6.157 -2.916 1.00 0.76 H new ATOM 0 HD11 LEU A 15 1.273 -3.870 -3.552 1.00 1.38 H new ATOM 0 HD12 LEU A 15 2.718 -3.639 -2.538 1.00 1.38 H new ATOM 0 HD13 LEU A 15 2.824 -3.420 -4.301 1.00 1.38 H new ATOM 0 HD21 LEU A 15 1.079 -5.766 -5.058 1.00 1.55 H new ATOM 0 HD22 LEU A 15 2.580 -5.162 -5.799 1.00 1.55 H new ATOM 0 HD23 LEU A 15 2.454 -6.868 -5.306 1.00 1.55 H new ATOM 256 N GLU A 16 6.695 -6.512 -5.228 1.00 0.59 N ATOM 257 CA GLU A 16 7.965 -6.036 -5.683 1.00 0.63 C ATOM 258 C GLU A 16 7.846 -4.598 -6.059 1.00 0.65 C ATOM 259 O GLU A 16 7.144 -4.227 -6.998 1.00 0.81 O ATOM 260 CB GLU A 16 8.453 -6.813 -6.917 1.00 0.76 C ATOM 261 CG GLU A 16 9.815 -6.429 -7.501 1.00 1.41 C ATOM 262 CD GLU A 16 11.003 -6.905 -6.679 1.00 1.52 C ATOM 263 OE1 GLU A 16 10.993 -8.131 -6.384 1.00 1.95 O ATOM 264 OE2 GLU A 16 11.934 -6.138 -6.315 1.00 1.92 O ATOM 0 H GLU A 16 6.076 -6.674 -6.023 1.00 0.59 H new ATOM 0 HA GLU A 16 8.680 -6.175 -4.873 1.00 0.63 H new ATOM 0 HB2 GLU A 16 8.485 -7.871 -6.657 1.00 0.76 H new ATOM 0 HB3 GLU A 16 7.706 -6.700 -7.703 1.00 0.76 H new ATOM 0 HG2 GLU A 16 9.895 -6.841 -8.507 1.00 1.41 H new ATOM 0 HG3 GLU A 16 9.864 -5.344 -7.596 1.00 1.41 H new ATOM 271 N VAL A 17 8.555 -3.709 -5.342 1.00 0.61 N ATOM 272 CA VAL A 17 8.534 -2.288 -5.499 1.00 0.63 C ATOM 273 C VAL A 17 9.897 -1.690 -5.570 1.00 0.65 C ATOM 274 O VAL A 17 10.909 -2.298 -5.224 1.00 0.76 O ATOM 275 CB VAL A 17 7.745 -1.550 -4.459 1.00 0.70 C ATOM 276 CG1 VAL A 17 6.292 -2.051 -4.396 1.00 0.96 C ATOM 277 CG2 VAL A 17 8.338 -1.929 -3.091 1.00 0.92 C ATOM 0 H VAL A 17 9.188 -4.006 -4.599 1.00 0.61 H new ATOM 0 HA VAL A 17 8.024 -2.161 -6.454 1.00 0.63 H new ATOM 0 HB VAL A 17 7.778 -0.486 -4.696 1.00 0.70 H new ATOM 0 HG11 VAL A 17 5.748 -1.495 -3.632 1.00 0.96 H new ATOM 0 HG12 VAL A 17 5.813 -1.901 -5.364 1.00 0.96 H new ATOM 0 HG13 VAL A 17 6.284 -3.112 -4.147 1.00 0.96 H new ATOM 0 HG21 VAL A 17 7.792 -1.412 -2.302 1.00 0.92 H new ATOM 0 HG22 VAL A 17 8.255 -3.006 -2.944 1.00 0.92 H new ATOM 0 HG23 VAL A 17 9.388 -1.638 -3.056 1.00 0.92 H new ATOM 287 N GLU A 18 10.055 -0.504 -6.186 1.00 0.68 N ATOM 288 CA GLU A 18 11.244 0.268 -6.003 1.00 0.74 C ATOM 289 C GLU A 18 11.196 1.357 -4.986 1.00 0.71 C ATOM 290 O GLU A 18 10.092 1.896 -4.920 1.00 0.74 O ATOM 291 CB GLU A 18 11.759 0.750 -7.369 1.00 0.88 C ATOM 292 CG GLU A 18 13.156 1.364 -7.491 1.00 1.16 C ATOM 293 CD GLU A 18 13.641 1.438 -8.932 1.00 1.71 C ATOM 294 OE1 GLU A 18 13.218 2.306 -9.742 1.00 2.35 O ATOM 295 OE2 GLU A 18 14.607 0.673 -9.195 1.00 2.33 O ATOM 0 H GLU A 18 9.364 -0.082 -6.807 1.00 0.68 H new ATOM 0 HA GLU A 18 11.962 -0.416 -5.549 1.00 0.74 H new ATOM 0 HB2 GLU A 18 11.720 -0.101 -8.048 1.00 0.88 H new ATOM 0 HB3 GLU A 18 11.048 1.488 -7.741 1.00 0.88 H new ATOM 0 HG2 GLU A 18 13.146 2.366 -7.063 1.00 1.16 H new ATOM 0 HG3 GLU A 18 13.860 0.774 -6.905 1.00 1.16 H new ATOM 302 N PRO A 19 12.081 1.791 -4.140 1.00 0.74 N ATOM 303 CA PRO A 19 11.881 2.723 -3.068 1.00 0.74 C ATOM 304 C PRO A 19 11.648 4.104 -3.575 1.00 0.70 C ATOM 305 O PRO A 19 11.125 4.927 -2.826 1.00 0.74 O ATOM 306 CB PRO A 19 13.018 2.582 -2.058 1.00 0.86 C ATOM 307 CG PRO A 19 14.099 1.841 -2.860 1.00 0.95 C ATOM 308 CD PRO A 19 13.269 1.004 -3.848 1.00 0.82 C ATOM 0 HA PRO A 19 10.963 2.489 -2.530 1.00 0.74 H new ATOM 0 HB2 PRO A 19 13.369 3.552 -1.707 1.00 0.86 H new ATOM 0 HB3 PRO A 19 12.709 2.017 -1.178 1.00 0.86 H new ATOM 0 HG2 PRO A 19 14.767 2.532 -3.375 1.00 0.95 H new ATOM 0 HG3 PRO A 19 14.720 1.214 -2.220 1.00 0.95 H new ATOM 0 HD2 PRO A 19 13.835 0.799 -4.757 1.00 0.82 H new ATOM 0 HD3 PRO A 19 13.002 0.040 -3.415 1.00 0.82 H new ATOM 316 N SER A 20 12.121 4.447 -4.786 1.00 0.70 N ATOM 317 CA SER A 20 11.800 5.722 -5.350 1.00 0.74 C ATOM 318 C SER A 20 10.494 5.762 -6.067 1.00 0.71 C ATOM 319 O SER A 20 10.241 6.741 -6.766 1.00 0.80 O ATOM 320 CB SER A 20 12.864 6.459 -6.181 1.00 0.89 C ATOM 321 OG SER A 20 14.102 6.677 -5.521 1.00 1.45 O ATOM 0 H SER A 20 12.715 3.855 -5.366 1.00 0.70 H new ATOM 0 HA SER A 20 11.741 6.292 -4.423 1.00 0.74 H new ATOM 0 HB2 SER A 20 13.051 5.888 -7.091 1.00 0.89 H new ATOM 0 HB3 SER A 20 12.459 7.423 -6.487 1.00 0.89 H new ATOM 0 HG SER A 20 14.715 7.148 -6.123 1.00 1.45 H new ATOM 327 N ASP A 21 9.631 4.730 -6.026 1.00 0.70 N ATOM 328 CA ASP A 21 8.310 4.665 -6.570 1.00 0.73 C ATOM 329 C ASP A 21 7.460 5.412 -5.600 1.00 0.64 C ATOM 330 O ASP A 21 7.663 5.395 -4.387 1.00 0.66 O ATOM 331 CB ASP A 21 7.814 3.210 -6.632 1.00 0.87 C ATOM 332 CG ASP A 21 8.522 2.325 -7.647 1.00 1.05 C ATOM 333 OD1 ASP A 21 9.228 2.842 -8.554 1.00 1.69 O ATOM 334 OD2 ASP A 21 8.351 1.081 -7.543 1.00 1.50 O ATOM 0 H ASP A 21 9.887 3.856 -5.566 1.00 0.70 H new ATOM 0 HA ASP A 21 8.278 5.072 -7.581 1.00 0.73 H new ATOM 0 HB2 ASP A 21 7.926 2.763 -5.644 1.00 0.87 H new ATOM 0 HB3 ASP A 21 6.748 3.216 -6.861 1.00 0.87 H new ATOM 339 N THR A 22 6.403 6.037 -6.146 1.00 0.63 N ATOM 340 CA THR A 22 5.356 6.628 -5.372 1.00 0.58 C ATOM 341 C THR A 22 4.377 5.710 -4.723 1.00 0.53 C ATOM 342 O THR A 22 4.250 4.573 -5.173 1.00 0.58 O ATOM 343 CB THR A 22 4.576 7.599 -6.207 1.00 0.63 C ATOM 344 OG1 THR A 22 3.963 6.976 -7.327 1.00 0.70 O ATOM 345 CG2 THR A 22 5.646 8.551 -6.767 1.00 0.75 C ATOM 0 H THR A 22 6.272 6.134 -7.153 1.00 0.63 H new ATOM 0 HA THR A 22 5.904 7.098 -4.555 1.00 0.58 H new ATOM 0 HB THR A 22 3.792 8.066 -5.611 1.00 0.63 H new ATOM 0 HG1 THR A 22 3.465 7.645 -7.841 1.00 0.70 H new ATOM 0 HG21 THR A 22 5.170 9.303 -7.396 1.00 0.75 H new ATOM 0 HG22 THR A 22 6.164 9.042 -5.943 1.00 0.75 H new ATOM 0 HG23 THR A 22 6.363 7.984 -7.360 1.00 0.75 H new ATOM 353 N ILE A 23 3.566 6.127 -3.734 1.00 0.51 N ATOM 354 CA ILE A 23 2.513 5.280 -3.268 1.00 0.48 C ATOM 355 C ILE A 23 1.492 5.090 -4.337 1.00 0.48 C ATOM 356 O ILE A 23 0.880 4.034 -4.483 1.00 0.51 O ATOM 357 CB ILE A 23 1.831 5.782 -2.029 1.00 0.52 C ATOM 358 CG1 ILE A 23 2.973 6.193 -1.085 1.00 0.60 C ATOM 359 CG2 ILE A 23 0.894 4.738 -1.398 1.00 0.61 C ATOM 360 CD1 ILE A 23 3.881 5.064 -0.599 1.00 0.73 C ATOM 0 H ILE A 23 3.636 7.030 -3.266 1.00 0.51 H new ATOM 0 HA ILE A 23 2.990 4.334 -3.011 1.00 0.48 H new ATOM 0 HB ILE A 23 1.170 6.620 -2.252 1.00 0.52 H new ATOM 0 HG12 ILE A 23 3.589 6.934 -1.594 1.00 0.60 H new ATOM 0 HG13 ILE A 23 2.539 6.683 -0.214 1.00 0.60 H new ATOM 0 HG21 ILE A 23 0.430 5.158 -0.506 1.00 0.61 H new ATOM 0 HG22 ILE A 23 0.120 4.463 -2.115 1.00 0.61 H new ATOM 0 HG23 ILE A 23 1.467 3.852 -1.126 1.00 0.61 H new ATOM 0 HD11 ILE A 23 4.648 5.472 0.059 1.00 0.73 H new ATOM 0 HD12 ILE A 23 3.288 4.329 -0.054 1.00 0.73 H new ATOM 0 HD13 ILE A 23 4.355 4.584 -1.455 1.00 0.73 H new ATOM 372 N GLU A 24 1.202 6.115 -5.156 1.00 0.50 N ATOM 373 CA GLU A 24 0.364 5.948 -6.302 1.00 0.53 C ATOM 374 C GLU A 24 0.728 4.852 -7.244 1.00 0.50 C ATOM 375 O GLU A 24 -0.088 4.040 -7.676 1.00 0.55 O ATOM 376 CB GLU A 24 0.172 7.299 -7.011 1.00 0.64 C ATOM 377 CG GLU A 24 -0.937 7.408 -8.060 1.00 0.95 C ATOM 378 CD GLU A 24 -0.821 8.552 -9.055 1.00 1.05 C ATOM 379 OE1 GLU A 24 0.181 9.286 -9.269 1.00 1.62 O ATOM 380 OE2 GLU A 24 -1.860 8.663 -9.759 1.00 1.56 O ATOM 0 H GLU A 24 1.550 7.065 -5.024 1.00 0.50 H new ATOM 0 HA GLU A 24 -0.590 5.597 -5.908 1.00 0.53 H new ATOM 0 HB2 GLU A 24 -0.016 8.053 -6.247 1.00 0.64 H new ATOM 0 HB3 GLU A 24 1.114 7.560 -7.493 1.00 0.64 H new ATOM 0 HG2 GLU A 24 -0.971 6.473 -8.618 1.00 0.95 H new ATOM 0 HG3 GLU A 24 -1.890 7.504 -7.540 1.00 0.95 H new ATOM 387 N ASN A 25 2.028 4.710 -7.558 1.00 0.51 N ATOM 388 CA ASN A 25 2.564 3.616 -8.306 1.00 0.52 C ATOM 389 C ASN A 25 2.280 2.291 -7.685 1.00 0.47 C ATOM 390 O ASN A 25 1.834 1.384 -8.386 1.00 0.53 O ATOM 391 CB ASN A 25 4.078 3.823 -8.488 1.00 0.64 C ATOM 392 CG ASN A 25 4.737 2.816 -9.420 1.00 1.23 C ATOM 393 OD1 ASN A 25 4.767 1.614 -9.166 1.00 2.13 O ATOM 394 ND2 ASN A 25 5.424 3.333 -10.473 1.00 1.57 N ATOM 0 H ASN A 25 2.737 5.388 -7.278 1.00 0.51 H new ATOM 0 HA ASN A 25 2.069 3.603 -9.277 1.00 0.52 H new ATOM 0 HB2 ASN A 25 4.252 4.827 -8.874 1.00 0.64 H new ATOM 0 HB3 ASN A 25 4.561 3.769 -7.512 1.00 0.64 H new ATOM 0 HD21 ASN A 25 5.979 2.720 -11.071 1.00 1.57 H new ATOM 0 HD22 ASN A 25 5.385 4.334 -10.665 1.00 1.57 H new ATOM 401 N VAL A 26 2.477 2.100 -6.368 1.00 0.45 N ATOM 402 CA VAL A 26 2.179 0.888 -5.671 1.00 0.44 C ATOM 403 C VAL A 26 0.742 0.501 -5.755 1.00 0.40 C ATOM 404 O VAL A 26 0.407 -0.655 -6.006 1.00 0.44 O ATOM 405 CB VAL A 26 2.571 1.036 -4.231 1.00 0.50 C ATOM 406 CG1 VAL A 26 2.071 -0.087 -3.306 1.00 0.60 C ATOM 407 CG2 VAL A 26 4.101 1.125 -4.097 1.00 0.62 C ATOM 0 H VAL A 26 2.862 2.824 -5.762 1.00 0.45 H new ATOM 0 HA VAL A 26 2.750 0.094 -6.152 1.00 0.44 H new ATOM 0 HB VAL A 26 2.084 1.956 -3.907 1.00 0.50 H new ATOM 0 HG11 VAL A 26 2.403 0.107 -2.286 1.00 0.60 H new ATOM 0 HG12 VAL A 26 0.982 -0.122 -3.332 1.00 0.60 H new ATOM 0 HG13 VAL A 26 2.473 -1.042 -3.643 1.00 0.60 H new ATOM 0 HG21 VAL A 26 4.369 1.232 -3.046 1.00 0.62 H new ATOM 0 HG22 VAL A 26 4.555 0.218 -4.496 1.00 0.62 H new ATOM 0 HG23 VAL A 26 4.465 1.988 -4.654 1.00 0.62 H new ATOM 417 N LYS A 27 -0.157 1.499 -5.674 1.00 0.40 N ATOM 418 CA LYS A 27 -1.552 1.263 -5.884 1.00 0.41 C ATOM 419 C LYS A 27 -1.892 0.810 -7.262 1.00 0.38 C ATOM 420 O LYS A 27 -2.794 -0.002 -7.460 1.00 0.42 O ATOM 421 CB LYS A 27 -2.365 2.522 -5.539 1.00 0.51 C ATOM 422 CG LYS A 27 -2.283 2.989 -4.084 1.00 0.76 C ATOM 423 CD LYS A 27 -3.009 4.319 -3.866 1.00 0.82 C ATOM 424 CE LYS A 27 -2.830 4.832 -2.435 1.00 1.22 C ATOM 425 NZ LYS A 27 -3.554 6.117 -2.317 1.00 1.11 N ATOM 0 H LYS A 27 0.082 2.468 -5.463 1.00 0.40 H new ATOM 0 HA LYS A 27 -1.816 0.443 -5.216 1.00 0.41 H new ATOM 0 HB2 LYS A 27 -2.029 3.336 -6.182 1.00 0.51 H new ATOM 0 HB3 LYS A 27 -3.411 2.334 -5.782 1.00 0.51 H new ATOM 0 HG2 LYS A 27 -2.717 2.229 -3.434 1.00 0.76 H new ATOM 0 HG3 LYS A 27 -1.237 3.096 -3.796 1.00 0.76 H new ATOM 0 HD2 LYS A 27 -2.629 5.061 -4.569 1.00 0.82 H new ATOM 0 HD3 LYS A 27 -4.071 4.193 -4.078 1.00 0.82 H new ATOM 0 HE2 LYS A 27 -3.219 4.108 -1.719 1.00 1.22 H new ATOM 0 HE3 LYS A 27 -1.773 4.968 -2.208 1.00 1.22 H new ATOM 0 HZ1 LYS A 27 -3.260 6.602 -1.445 1.00 1.11 H new ATOM 0 HZ2 LYS A 27 -3.334 6.716 -3.138 1.00 1.11 H new ATOM 0 HZ3 LYS A 27 -4.578 5.937 -2.285 1.00 1.11 H new ATOM 439 N ALA A 28 -1.148 1.280 -8.279 1.00 0.39 N ATOM 440 CA ALA A 28 -1.282 0.863 -9.640 1.00 0.39 C ATOM 441 C ALA A 28 -0.853 -0.548 -9.850 1.00 0.36 C ATOM 442 O ALA A 28 -1.436 -1.258 -10.668 1.00 0.42 O ATOM 443 CB ALA A 28 -0.643 1.883 -10.598 1.00 0.51 C ATOM 0 H ALA A 28 -0.420 1.982 -8.146 1.00 0.39 H new ATOM 0 HA ALA A 28 -2.343 0.853 -9.890 1.00 0.39 H new ATOM 0 HB1 ALA A 28 -0.760 1.540 -11.626 1.00 0.51 H new ATOM 0 HB2 ALA A 28 -1.133 2.849 -10.480 1.00 0.51 H new ATOM 0 HB3 ALA A 28 0.418 1.984 -10.368 1.00 0.51 H new ATOM 449 N LYS A 29 0.074 -1.109 -9.052 1.00 0.39 N ATOM 450 CA LYS A 29 0.503 -2.471 -9.135 1.00 0.43 C ATOM 451 C LYS A 29 -0.476 -3.338 -8.421 1.00 0.44 C ATOM 452 O LYS A 29 -0.639 -4.485 -8.832 1.00 0.54 O ATOM 453 CB LYS A 29 1.838 -2.564 -8.379 1.00 0.54 C ATOM 454 CG LYS A 29 2.600 -3.891 -8.377 1.00 0.65 C ATOM 455 CD LYS A 29 4.093 -3.705 -8.098 1.00 1.08 C ATOM 456 CE LYS A 29 4.903 -3.484 -9.377 1.00 1.24 C ATOM 457 NZ LYS A 29 6.232 -2.898 -9.093 1.00 1.44 N ATOM 0 H LYS A 29 0.547 -0.587 -8.314 1.00 0.39 H new ATOM 0 HA LYS A 29 0.592 -2.784 -10.175 1.00 0.43 H new ATOM 0 HB2 LYS A 29 2.502 -1.804 -8.790 1.00 0.54 H new ATOM 0 HB3 LYS A 29 1.647 -2.293 -7.341 1.00 0.54 H new ATOM 0 HG2 LYS A 29 2.172 -4.552 -7.623 1.00 0.65 H new ATOM 0 HG3 LYS A 29 2.472 -4.382 -9.342 1.00 0.65 H new ATOM 0 HD2 LYS A 29 4.232 -2.854 -7.432 1.00 1.08 H new ATOM 0 HD3 LYS A 29 4.474 -4.583 -7.577 1.00 1.08 H new ATOM 0 HE2 LYS A 29 5.028 -4.434 -9.896 1.00 1.24 H new ATOM 0 HE3 LYS A 29 4.351 -2.825 -10.047 1.00 1.24 H new ATOM 0 HZ1 LYS A 29 6.743 -2.748 -9.986 1.00 1.44 H new ATOM 0 HZ2 LYS A 29 6.113 -1.987 -8.605 1.00 1.44 H new ATOM 0 HZ3 LYS A 29 6.775 -3.546 -8.488 1.00 1.44 H new ATOM 471 N ILE A 30 -1.243 -2.877 -7.416 1.00 0.41 N ATOM 472 CA ILE A 30 -2.275 -3.608 -6.748 1.00 0.44 C ATOM 473 C ILE A 30 -3.474 -3.693 -7.629 1.00 0.45 C ATOM 474 O ILE A 30 -4.144 -4.724 -7.656 1.00 0.56 O ATOM 475 CB ILE A 30 -2.649 -2.985 -5.436 1.00 0.45 C ATOM 476 CG1 ILE A 30 -1.507 -2.893 -4.410 1.00 0.52 C ATOM 477 CG2 ILE A 30 -3.901 -3.681 -4.874 1.00 0.56 C ATOM 478 CD1 ILE A 30 -1.893 -2.501 -2.984 1.00 1.32 C ATOM 0 H ILE A 30 -1.134 -1.932 -7.047 1.00 0.41 H new ATOM 0 HA ILE A 30 -1.893 -4.607 -6.537 1.00 0.44 H new ATOM 0 HB ILE A 30 -2.880 -1.939 -5.640 1.00 0.45 H new ATOM 0 HG12 ILE A 30 -1.005 -3.860 -4.373 1.00 0.52 H new ATOM 0 HG13 ILE A 30 -0.779 -2.169 -4.776 1.00 0.52 H new ATOM 0 HG21 ILE A 30 -4.172 -3.228 -3.921 1.00 0.56 H new ATOM 0 HG22 ILE A 30 -4.726 -3.568 -5.577 1.00 0.56 H new ATOM 0 HG23 ILE A 30 -3.693 -4.741 -4.726 1.00 0.56 H new ATOM 0 HD11 ILE A 30 -1.000 -2.472 -2.360 1.00 1.32 H new ATOM 0 HD12 ILE A 30 -2.363 -1.517 -2.992 1.00 1.32 H new ATOM 0 HD13 ILE A 30 -2.592 -3.234 -2.582 1.00 1.32 H new ATOM 490 N GLN A 31 -3.710 -2.688 -8.492 1.00 0.41 N ATOM 491 CA GLN A 31 -4.644 -2.599 -9.571 1.00 0.48 C ATOM 492 C GLN A 31 -4.391 -3.722 -10.517 1.00 0.52 C ATOM 493 O GLN A 31 -5.283 -4.478 -10.902 1.00 0.66 O ATOM 494 CB GLN A 31 -4.668 -1.214 -10.238 1.00 0.52 C ATOM 495 CG GLN A 31 -5.890 -1.092 -11.151 1.00 0.70 C ATOM 496 CD GLN A 31 -6.044 0.181 -11.969 1.00 0.97 C ATOM 497 OE1 GLN A 31 -7.108 0.797 -11.952 1.00 1.70 O ATOM 498 NE2 GLN A 31 -4.986 0.579 -12.726 1.00 1.43 N ATOM 0 H GLN A 31 -3.171 -1.825 -8.418 1.00 0.41 H new ATOM 0 HA GLN A 31 -5.655 -2.705 -9.178 1.00 0.48 H new ATOM 0 HB2 GLN A 31 -4.694 -0.435 -9.476 1.00 0.52 H new ATOM 0 HB3 GLN A 31 -3.756 -1.064 -10.816 1.00 0.52 H new ATOM 0 HG2 GLN A 31 -5.876 -1.934 -11.843 1.00 0.70 H new ATOM 0 HG3 GLN A 31 -6.781 -1.202 -10.533 1.00 0.70 H new ATOM 0 HE21 GLN A 31 -4.119 0.041 -12.714 1.00 1.43 H new ATOM 0 HE22 GLN A 31 -5.060 1.415 -13.306 1.00 1.43 H new ATOM 507 N ASP A 32 -3.112 -3.903 -10.893 1.00 0.50 N ATOM 508 CA ASP A 32 -2.605 -5.009 -11.643 1.00 0.60 C ATOM 509 C ASP A 32 -2.992 -6.309 -11.027 1.00 0.65 C ATOM 510 O ASP A 32 -3.665 -7.138 -11.637 1.00 0.81 O ATOM 511 CB ASP A 32 -1.129 -4.801 -12.025 1.00 0.67 C ATOM 512 CG ASP A 32 -0.637 -5.576 -13.240 1.00 0.91 C ATOM 513 OD1 ASP A 32 -0.904 -5.097 -14.374 1.00 1.55 O ATOM 514 OD2 ASP A 32 0.184 -6.500 -13.000 1.00 1.51 O ATOM 0 H ASP A 32 -2.384 -3.229 -10.656 1.00 0.50 H new ATOM 0 HA ASP A 32 -3.092 -5.060 -12.617 1.00 0.60 H new ATOM 0 HB2 ASP A 32 -0.968 -3.738 -12.207 1.00 0.67 H new ATOM 0 HB3 ASP A 32 -0.511 -5.075 -11.170 1.00 0.67 H new ATOM 519 N LYS A 33 -2.653 -6.636 -9.767 1.00 0.62 N ATOM 520 CA LYS A 33 -2.877 -7.932 -9.206 1.00 0.73 C ATOM 521 C LYS A 33 -4.299 -8.177 -8.839 1.00 0.69 C ATOM 522 O LYS A 33 -4.829 -9.156 -9.361 1.00 0.83 O ATOM 523 CB LYS A 33 -1.976 -7.987 -7.960 1.00 0.85 C ATOM 524 CG LYS A 33 -0.568 -8.488 -8.285 1.00 1.31 C ATOM 525 CD LYS A 33 0.434 -8.684 -7.145 1.00 1.71 C ATOM 526 CE LYS A 33 1.854 -8.624 -7.712 1.00 2.26 C ATOM 527 NZ LYS A 33 1.985 -9.691 -8.728 1.00 2.62 N ATOM 0 H LYS A 33 -2.211 -5.982 -9.121 1.00 0.62 H new ATOM 0 HA LYS A 33 -2.643 -8.708 -9.935 1.00 0.73 H new ATOM 0 HB2 LYS A 33 -1.913 -6.994 -7.516 1.00 0.85 H new ATOM 0 HB3 LYS A 33 -2.429 -8.641 -7.215 1.00 0.85 H new ATOM 0 HG2 LYS A 33 -0.670 -9.443 -8.801 1.00 1.31 H new ATOM 0 HG3 LYS A 33 -0.126 -7.788 -8.994 1.00 1.31 H new ATOM 0 HD2 LYS A 33 0.298 -7.912 -6.388 1.00 1.71 H new ATOM 0 HD3 LYS A 33 0.264 -9.643 -6.656 1.00 1.71 H new ATOM 0 HE2 LYS A 33 2.046 -7.648 -8.157 1.00 2.26 H new ATOM 0 HE3 LYS A 33 2.588 -8.762 -6.918 1.00 2.26 H new ATOM 0 HZ1 LYS A 33 2.992 -9.889 -8.895 1.00 2.62 H new ATOM 0 HZ2 LYS A 33 1.514 -10.554 -8.388 1.00 2.62 H new ATOM 0 HZ3 LYS A 33 1.541 -9.381 -9.616 1.00 2.62 H new ATOM 541 N GLU A 34 -4.922 -7.434 -7.905 1.00 0.63 N ATOM 542 CA GLU A 34 -6.206 -7.704 -7.340 1.00 0.67 C ATOM 543 C GLU A 34 -7.364 -6.988 -7.947 1.00 0.69 C ATOM 544 O GLU A 34 -8.496 -7.437 -7.775 1.00 0.95 O ATOM 545 CB GLU A 34 -6.120 -7.475 -5.822 1.00 0.73 C ATOM 546 CG GLU A 34 -4.904 -8.092 -5.129 1.00 0.83 C ATOM 547 CD GLU A 34 -5.018 -9.608 -5.199 1.00 0.95 C ATOM 548 OE1 GLU A 34 -5.815 -10.286 -4.498 1.00 1.37 O ATOM 549 OE2 GLU A 34 -4.271 -10.219 -6.011 1.00 1.48 O ATOM 0 H GLU A 34 -4.499 -6.589 -7.521 1.00 0.63 H new ATOM 0 HA GLU A 34 -6.432 -8.744 -7.575 1.00 0.67 H new ATOM 0 HB2 GLU A 34 -6.117 -6.401 -5.634 1.00 0.73 H new ATOM 0 HB3 GLU A 34 -7.022 -7.877 -5.360 1.00 0.73 H new ATOM 0 HG2 GLU A 34 -3.985 -7.760 -5.612 1.00 0.83 H new ATOM 0 HG3 GLU A 34 -4.855 -7.765 -4.091 1.00 0.83 H new ATOM 556 N GLY A 35 -7.094 -5.875 -8.653 1.00 0.63 N ATOM 557 CA GLY A 35 -8.083 -5.224 -9.453 1.00 0.68 C ATOM 558 C GLY A 35 -8.748 -4.062 -8.799 1.00 0.76 C ATOM 559 O GLY A 35 -9.909 -3.706 -8.995 1.00 1.12 O ATOM 0 H GLY A 35 -6.180 -5.423 -8.669 1.00 0.63 H new ATOM 0 HA2 GLY A 35 -7.617 -4.885 -10.378 1.00 0.68 H new ATOM 0 HA3 GLY A 35 -8.845 -5.953 -9.729 1.00 0.68 H new ATOM 563 N ILE A 36 -8.120 -3.469 -7.768 1.00 0.70 N ATOM 564 CA ILE A 36 -8.794 -2.432 -7.050 1.00 0.76 C ATOM 565 C ILE A 36 -8.314 -1.126 -7.583 1.00 0.71 C ATOM 566 O ILE A 36 -7.091 -1.075 -7.704 1.00 0.73 O ATOM 567 CB ILE A 36 -8.553 -2.432 -5.570 1.00 0.88 C ATOM 568 CG1 ILE A 36 -9.129 -3.739 -5.000 1.00 0.91 C ATOM 569 CG2 ILE A 36 -9.236 -1.286 -4.804 1.00 1.55 C ATOM 570 CD1 ILE A 36 -8.131 -4.591 -4.218 1.00 1.16 C ATOM 0 H ILE A 36 -7.181 -3.695 -7.440 1.00 0.70 H new ATOM 0 HA ILE A 36 -9.861 -2.601 -7.192 1.00 0.76 H new ATOM 0 HB ILE A 36 -7.477 -2.317 -5.440 1.00 0.88 H new ATOM 0 HG12 ILE A 36 -9.968 -3.496 -4.347 1.00 0.91 H new ATOM 0 HG13 ILE A 36 -9.527 -4.333 -5.822 1.00 0.91 H new ATOM 0 HG21 ILE A 36 -9.004 -1.369 -3.742 1.00 1.55 H new ATOM 0 HG22 ILE A 36 -8.873 -0.330 -5.181 1.00 1.55 H new ATOM 0 HG23 ILE A 36 -10.315 -1.346 -4.946 1.00 1.55 H new ATOM 0 HD11 ILE A 36 -8.627 -5.491 -3.855 1.00 1.16 H new ATOM 0 HD12 ILE A 36 -7.303 -4.871 -4.869 1.00 1.16 H new ATOM 0 HD13 ILE A 36 -7.750 -4.020 -3.371 1.00 1.16 H new ATOM 582 N PRO A 37 -9.001 -0.116 -8.027 1.00 0.75 N ATOM 583 CA PRO A 37 -8.432 1.096 -8.541 1.00 0.79 C ATOM 584 C PRO A 37 -7.666 1.902 -7.550 1.00 0.75 C ATOM 585 O PRO A 37 -8.014 1.882 -6.370 1.00 0.75 O ATOM 586 CB PRO A 37 -9.587 1.927 -9.096 1.00 0.95 C ATOM 587 CG PRO A 37 -10.625 0.829 -9.377 1.00 1.02 C ATOM 588 CD PRO A 37 -10.443 -0.160 -8.214 1.00 0.85 C ATOM 0 HA PRO A 37 -7.699 0.820 -9.299 1.00 0.79 H new ATOM 0 HB2 PRO A 37 -9.949 2.663 -8.378 1.00 0.95 H new ATOM 0 HB3 PRO A 37 -9.308 2.472 -9.998 1.00 0.95 H new ATOM 0 HG2 PRO A 37 -11.637 1.233 -9.403 1.00 1.02 H new ATOM 0 HG3 PRO A 37 -10.449 0.350 -10.340 1.00 1.02 H new ATOM 0 HD2 PRO A 37 -10.983 0.152 -7.320 1.00 0.85 H new ATOM 0 HD3 PRO A 37 -10.795 -1.160 -8.466 1.00 0.85 H new ATOM 596 N PRO A 38 -6.642 2.604 -7.937 1.00 0.81 N ATOM 597 CA PRO A 38 -5.824 3.392 -7.063 1.00 0.85 C ATOM 598 C PRO A 38 -6.606 4.478 -6.408 1.00 0.89 C ATOM 599 O PRO A 38 -6.034 5.114 -5.525 1.00 0.99 O ATOM 600 CB PRO A 38 -4.685 3.928 -7.929 1.00 1.01 C ATOM 601 CG PRO A 38 -4.567 2.942 -9.102 1.00 1.25 C ATOM 602 CD PRO A 38 -6.018 2.457 -9.244 1.00 0.98 C ATOM 0 HA PRO A 38 -5.432 2.798 -6.237 1.00 0.85 H new ATOM 0 HB2 PRO A 38 -4.901 4.936 -8.283 1.00 1.01 H new ATOM 0 HB3 PRO A 38 -3.754 3.981 -7.365 1.00 1.01 H new ATOM 0 HG2 PRO A 38 -4.206 3.426 -10.009 1.00 1.25 H new ATOM 0 HG3 PRO A 38 -3.881 2.124 -8.882 1.00 1.25 H new ATOM 0 HD2 PRO A 38 -6.549 3.043 -9.994 1.00 0.98 H new ATOM 0 HD3 PRO A 38 -6.048 1.418 -9.572 1.00 0.98 H new ATOM 610 N ASP A 39 -7.844 4.855 -6.773 1.00 0.96 N ATOM 611 CA ASP A 39 -8.552 5.797 -5.963 1.00 1.11 C ATOM 612 C ASP A 39 -9.072 5.262 -4.673 1.00 1.00 C ATOM 613 O ASP A 39 -9.119 5.971 -3.669 1.00 1.14 O ATOM 614 CB ASP A 39 -9.729 6.493 -6.668 1.00 1.39 C ATOM 615 CG ASP A 39 -10.718 5.485 -7.235 1.00 1.73 C ATOM 616 OD1 ASP A 39 -10.393 4.830 -8.261 1.00 2.25 O ATOM 617 OD2 ASP A 39 -11.861 5.482 -6.703 1.00 2.23 O ATOM 0 H ASP A 39 -8.341 4.522 -7.599 1.00 0.96 H new ATOM 0 HA ASP A 39 -7.761 6.519 -5.760 1.00 1.11 H new ATOM 0 HB2 ASP A 39 -10.240 7.148 -5.963 1.00 1.39 H new ATOM 0 HB3 ASP A 39 -9.350 7.124 -7.472 1.00 1.39 H new ATOM 622 N GLN A 40 -9.425 3.969 -4.579 1.00 0.87 N ATOM 623 CA GLN A 40 -10.003 3.338 -3.432 1.00 0.84 C ATOM 624 C GLN A 40 -9.048 2.988 -2.343 1.00 0.67 C ATOM 625 O GLN A 40 -9.475 2.935 -1.191 1.00 0.80 O ATOM 626 CB GLN A 40 -10.859 2.149 -3.901 1.00 0.95 C ATOM 627 CG GLN A 40 -11.768 2.470 -5.090 1.00 1.32 C ATOM 628 CD GLN A 40 -12.605 1.288 -5.557 1.00 1.48 C ATOM 629 OE1 GLN A 40 -12.213 0.199 -5.141 1.00 1.70 O ATOM 630 NE2 GLN A 40 -13.654 1.533 -6.386 1.00 2.02 N ATOM 0 H GLN A 40 -9.298 3.321 -5.356 1.00 0.87 H new ATOM 0 HA GLN A 40 -10.639 4.076 -2.943 1.00 0.84 H new ATOM 0 HB2 GLN A 40 -10.200 1.324 -4.172 1.00 0.95 H new ATOM 0 HB3 GLN A 40 -11.473 1.806 -3.069 1.00 0.95 H new ATOM 0 HG2 GLN A 40 -12.433 3.289 -4.817 1.00 1.32 H new ATOM 0 HG3 GLN A 40 -11.155 2.820 -5.920 1.00 1.32 H new ATOM 0 HE21 GLN A 40 -13.876 2.491 -6.658 1.00 2.02 H new ATOM 0 HE22 GLN A 40 -14.219 0.759 -6.736 1.00 2.02 H new ATOM 639 N GLN A 41 -7.799 2.648 -2.709 1.00 0.56 N ATOM 640 CA GLN A 41 -6.830 2.134 -1.792 1.00 0.51 C ATOM 641 C GLN A 41 -6.353 3.193 -0.857 1.00 0.49 C ATOM 642 O GLN A 41 -5.726 4.163 -1.280 1.00 0.65 O ATOM 643 CB GLN A 41 -5.680 1.588 -2.654 1.00 0.67 C ATOM 644 CG GLN A 41 -6.106 0.495 -3.637 1.00 0.69 C ATOM 645 CD GLN A 41 -4.911 -0.041 -4.414 1.00 0.56 C ATOM 646 OE1 GLN A 41 -3.817 -0.022 -3.854 1.00 0.66 O ATOM 647 NE2 GLN A 41 -5.064 -0.424 -5.710 1.00 0.61 N ATOM 0 H GLN A 41 -7.455 2.732 -3.665 1.00 0.56 H new ATOM 0 HA GLN A 41 -7.257 1.353 -1.163 1.00 0.51 H new ATOM 0 HB2 GLN A 41 -5.235 2.412 -3.212 1.00 0.67 H new ATOM 0 HB3 GLN A 41 -4.905 1.191 -1.999 1.00 0.67 H new ATOM 0 HG2 GLN A 41 -6.586 -0.320 -3.094 1.00 0.69 H new ATOM 0 HG3 GLN A 41 -6.845 0.894 -4.331 1.00 0.69 H new ATOM 0 HE21 GLN A 41 -5.991 -0.425 -6.136 1.00 0.61 H new ATOM 0 HE22 GLN A 41 -4.252 -0.710 -6.256 1.00 0.61 H new ATOM 656 N ARG A 42 -6.491 2.897 0.448 1.00 0.47 N ATOM 657 CA ARG A 42 -5.859 3.666 1.474 1.00 0.55 C ATOM 658 C ARG A 42 -4.958 2.793 2.277 1.00 0.46 C ATOM 659 O ARG A 42 -5.433 1.921 3.004 1.00 0.52 O ATOM 660 CB ARG A 42 -6.879 4.250 2.466 1.00 0.73 C ATOM 661 CG ARG A 42 -7.729 5.393 1.908 1.00 1.04 C ATOM 662 CD ARG A 42 -8.763 5.943 2.893 1.00 1.28 C ATOM 663 NE ARG A 42 -9.551 7.065 2.309 1.00 1.69 N ATOM 664 CZ ARG A 42 -10.803 7.473 2.670 1.00 2.19 C ATOM 665 NH1 ARG A 42 -11.650 6.735 3.444 1.00 2.34 N ATOM 666 NH2 ARG A 42 -11.171 8.692 2.176 1.00 2.78 N ATOM 0 H ARG A 42 -7.047 2.116 0.795 1.00 0.47 H new ATOM 0 HA ARG A 42 -5.319 4.469 0.971 1.00 0.55 H new ATOM 0 HB2 ARG A 42 -7.542 3.451 2.798 1.00 0.73 H new ATOM 0 HB3 ARG A 42 -6.346 4.608 3.347 1.00 0.73 H new ATOM 0 HG2 ARG A 42 -7.070 6.204 1.600 1.00 1.04 H new ATOM 0 HG3 ARG A 42 -8.245 5.044 1.014 1.00 1.04 H new ATOM 0 HD2 ARG A 42 -9.440 5.143 3.192 1.00 1.28 H new ATOM 0 HD3 ARG A 42 -8.257 6.287 3.795 1.00 1.28 H new ATOM 0 HE ARG A 42 -9.105 7.587 1.555 1.00 1.69 H new ATOM 0 HH11 ARG A 42 -11.359 5.820 3.789 1.00 2.34 H new ATOM 0 HH12 ARG A 42 -12.574 7.098 3.678 1.00 2.34 H new ATOM 0 HH21 ARG A 42 -10.526 9.219 1.587 1.00 2.78 H new ATOM 0 HH22 ARG A 42 -12.091 9.075 2.396 1.00 2.78 H new ATOM 680 N LEU A 43 -3.644 3.021 2.106 1.00 0.46 N ATOM 681 CA LEU A 43 -2.590 2.259 2.704 1.00 0.42 C ATOM 682 C LEU A 43 -2.284 2.920 4.003 1.00 0.43 C ATOM 683 O LEU A 43 -1.839 4.066 4.045 1.00 0.55 O ATOM 684 CB LEU A 43 -1.414 2.077 1.730 1.00 0.55 C ATOM 685 CG LEU A 43 -1.598 1.182 0.492 1.00 0.65 C ATOM 686 CD1 LEU A 43 -0.437 1.442 -0.482 1.00 1.17 C ATOM 687 CD2 LEU A 43 -1.641 -0.292 0.925 1.00 1.12 C ATOM 0 H LEU A 43 -3.297 3.779 1.518 1.00 0.46 H new ATOM 0 HA LEU A 43 -2.871 1.228 2.919 1.00 0.42 H new ATOM 0 HB2 LEU A 43 -1.122 3.067 1.379 1.00 0.55 H new ATOM 0 HB3 LEU A 43 -0.574 1.680 2.300 1.00 0.55 H new ATOM 0 HG LEU A 43 -2.537 1.413 -0.010 1.00 0.65 H new ATOM 0 HD11 LEU A 43 -0.555 0.814 -1.365 1.00 1.17 H new ATOM 0 HD12 LEU A 43 -0.440 2.490 -0.780 1.00 1.17 H new ATOM 0 HD13 LEU A 43 0.508 1.207 0.007 1.00 1.17 H new ATOM 0 HD21 LEU A 43 -1.771 -0.925 0.048 1.00 1.12 H new ATOM 0 HD22 LEU A 43 -0.708 -0.552 1.425 1.00 1.12 H new ATOM 0 HD23 LEU A 43 -2.474 -0.446 1.610 1.00 1.12 H new ATOM 699 N ILE A 44 -2.340 2.181 5.125 1.00 0.42 N ATOM 700 CA ILE A 44 -1.953 2.517 6.460 1.00 0.46 C ATOM 701 C ILE A 44 -0.647 1.928 6.868 1.00 0.42 C ATOM 702 O ILE A 44 -0.437 0.718 6.794 1.00 0.53 O ATOM 703 CB ILE A 44 -3.040 2.139 7.422 1.00 0.58 C ATOM 704 CG1 ILE A 44 -4.437 2.465 6.867 1.00 1.05 C ATOM 705 CG2 ILE A 44 -2.687 2.732 8.796 1.00 1.38 C ATOM 706 CD1 ILE A 44 -4.746 3.945 6.650 1.00 1.27 C ATOM 0 H ILE A 44 -2.703 1.229 5.086 1.00 0.42 H new ATOM 0 HA ILE A 44 -1.808 3.597 6.482 1.00 0.46 H new ATOM 0 HB ILE A 44 -3.098 1.059 7.560 1.00 0.58 H new ATOM 0 HG12 ILE A 44 -4.558 1.946 5.916 1.00 1.05 H new ATOM 0 HG13 ILE A 44 -5.181 2.056 7.550 1.00 1.05 H new ATOM 0 HG21 ILE A 44 -3.463 2.471 9.515 1.00 1.38 H new ATOM 0 HG22 ILE A 44 -1.731 2.329 9.131 1.00 1.38 H new ATOM 0 HG23 ILE A 44 -2.616 3.817 8.717 1.00 1.38 H new ATOM 0 HD11 ILE A 44 -5.757 4.052 6.257 1.00 1.27 H new ATOM 0 HD12 ILE A 44 -4.668 4.476 7.599 1.00 1.27 H new ATOM 0 HD13 ILE A 44 -4.034 4.365 5.939 1.00 1.27 H new ATOM 718 N PHE A 45 0.341 2.758 7.247 1.00 0.42 N ATOM 719 CA PHE A 45 1.525 2.181 7.806 1.00 0.46 C ATOM 720 C PHE A 45 1.933 2.981 8.995 1.00 0.68 C ATOM 721 O PHE A 45 1.929 4.205 8.873 1.00 1.50 O ATOM 722 CB PHE A 45 2.556 1.957 6.688 1.00 0.56 C ATOM 723 CG PHE A 45 3.838 1.361 7.157 1.00 0.64 C ATOM 724 CD1 PHE A 45 4.048 0.015 7.346 1.00 1.08 C ATOM 725 CD2 PHE A 45 4.861 2.248 7.401 1.00 1.19 C ATOM 726 CE1 PHE A 45 5.304 -0.442 7.669 1.00 1.20 C ATOM 727 CE2 PHE A 45 6.039 1.828 7.972 1.00 1.33 C ATOM 728 CZ PHE A 45 6.238 0.473 8.097 1.00 1.02 C ATOM 0 H PHE A 45 0.328 3.775 7.173 1.00 0.42 H new ATOM 0 HA PHE A 45 1.377 1.179 8.209 1.00 0.46 H new ATOM 0 HB2 PHE A 45 2.120 1.306 5.931 1.00 0.56 H new ATOM 0 HB3 PHE A 45 2.766 2.911 6.205 1.00 0.56 H new ATOM 0 HD1 PHE A 45 3.229 -0.681 7.241 1.00 1.08 H new ATOM 0 HD2 PHE A 45 4.737 3.289 7.140 1.00 1.19 H new ATOM 0 HE1 PHE A 45 5.551 -1.490 7.589 1.00 1.20 H new ATOM 0 HE2 PHE A 45 6.781 2.536 8.310 1.00 1.33 H new ATOM 0 HZ PHE A 45 7.154 0.117 8.544 1.00 1.02 H new ATOM 738 N ALA A 46 2.321 2.367 10.127 1.00 0.81 N ATOM 739 CA ALA A 46 2.711 3.035 11.329 1.00 0.96 C ATOM 740 C ALA A 46 1.803 4.035 11.956 1.00 0.97 C ATOM 741 O ALA A 46 2.217 5.018 12.569 1.00 1.21 O ATOM 742 CB ALA A 46 4.128 3.610 11.172 1.00 1.20 C ATOM 0 H ALA A 46 2.365 1.351 10.207 1.00 0.81 H new ATOM 0 HA ALA A 46 2.656 2.227 12.058 1.00 0.96 H new ATOM 0 HB1 ALA A 46 4.419 4.118 12.092 1.00 1.20 H new ATOM 0 HB2 ALA A 46 4.829 2.800 10.967 1.00 1.20 H new ATOM 0 HB3 ALA A 46 4.143 4.320 10.345 1.00 1.20 H new ATOM 748 N GLY A 47 0.487 3.884 11.727 1.00 0.99 N ATOM 749 CA GLY A 47 -0.420 4.875 12.215 1.00 1.10 C ATOM 750 C GLY A 47 -0.648 6.062 11.343 1.00 1.03 C ATOM 751 O GLY A 47 -1.399 6.968 11.703 1.00 1.30 O ATOM 0 H GLY A 47 0.062 3.106 11.223 1.00 0.99 H new ATOM 0 HA2 GLY A 47 -1.382 4.396 12.396 1.00 1.10 H new ATOM 0 HA3 GLY A 47 -0.053 5.227 13.179 1.00 1.10 H new ATOM 755 N LYS A 48 -0.062 6.018 10.134 1.00 0.98 N ATOM 756 CA LYS A 48 -0.108 7.039 9.135 1.00 1.05 C ATOM 757 C LYS A 48 -0.832 6.637 7.897 1.00 0.84 C ATOM 758 O LYS A 48 -0.658 5.542 7.361 1.00 0.81 O ATOM 759 CB LYS A 48 1.336 7.529 8.939 1.00 1.42 C ATOM 760 CG LYS A 48 1.965 8.148 10.189 1.00 1.61 C ATOM 761 CD LYS A 48 3.257 8.954 10.041 1.00 1.87 C ATOM 762 CE LYS A 48 4.484 8.201 9.520 1.00 2.22 C ATOM 763 NZ LYS A 48 5.633 9.107 9.296 1.00 2.55 N ATOM 0 H LYS A 48 0.483 5.210 9.834 1.00 0.98 H new ATOM 0 HA LYS A 48 -0.720 7.879 9.463 1.00 1.05 H new ATOM 0 HB2 LYS A 48 1.951 6.690 8.614 1.00 1.42 H new ATOM 0 HB3 LYS A 48 1.352 8.266 8.136 1.00 1.42 H new ATOM 0 HG2 LYS A 48 1.220 8.800 10.645 1.00 1.61 H new ATOM 0 HG3 LYS A 48 2.158 7.341 10.896 1.00 1.61 H new ATOM 0 HD2 LYS A 48 3.061 9.790 9.370 1.00 1.87 H new ATOM 0 HD3 LYS A 48 3.506 9.378 11.014 1.00 1.87 H new ATOM 0 HE2 LYS A 48 4.766 7.427 10.234 1.00 2.22 H new ATOM 0 HE3 LYS A 48 4.232 7.697 8.587 1.00 2.22 H new ATOM 0 HZ1 LYS A 48 6.444 8.559 8.944 1.00 2.55 H new ATOM 0 HZ2 LYS A 48 5.373 9.830 8.595 1.00 2.55 H new ATOM 0 HZ3 LYS A 48 5.891 9.569 10.191 1.00 2.55 H new ATOM 777 N GLN A 49 -1.568 7.592 7.303 1.00 0.84 N ATOM 778 CA GLN A 49 -2.255 7.344 6.073 1.00 0.80 C ATOM 779 C GLN A 49 -1.404 7.864 4.967 1.00 0.72 C ATOM 780 O GLN A 49 -1.004 9.028 4.992 1.00 0.83 O ATOM 781 CB GLN A 49 -3.597 8.068 5.879 1.00 1.03 C ATOM 782 CG GLN A 49 -4.588 7.654 6.969 1.00 1.67 C ATOM 783 CD GLN A 49 -6.033 8.100 6.785 1.00 1.92 C ATOM 784 OE1 GLN A 49 -6.890 7.352 6.316 1.00 2.24 O ATOM 785 NE2 GLN A 49 -6.219 9.436 6.955 1.00 2.48 N ATOM 0 H GLN A 49 -1.688 8.535 7.673 1.00 0.84 H new ATOM 0 HA GLN A 49 -2.448 6.271 6.083 1.00 0.80 H new ATOM 0 HB2 GLN A 49 -3.443 9.147 5.909 1.00 1.03 H new ATOM 0 HB3 GLN A 49 -4.007 7.831 4.897 1.00 1.03 H new ATOM 0 HG2 GLN A 49 -4.575 6.567 7.046 1.00 1.67 H new ATOM 0 HG3 GLN A 49 -4.230 8.045 7.921 1.00 1.67 H new ATOM 0 HE21 GLN A 49 -5.473 10.009 7.349 1.00 2.48 H new ATOM 0 HE22 GLN A 49 -7.105 9.866 6.688 1.00 2.48 H new ATOM 794 N LEU A 50 -0.896 7.026 4.044 1.00 0.69 N ATOM 795 CA LEU A 50 0.166 7.350 3.144 1.00 0.66 C ATOM 796 C LEU A 50 -0.399 8.133 2.008 1.00 0.72 C ATOM 797 O LEU A 50 -1.365 7.662 1.412 1.00 0.90 O ATOM 798 CB LEU A 50 0.921 6.143 2.563 1.00 0.65 C ATOM 799 CG LEU A 50 1.614 5.128 3.488 1.00 0.64 C ATOM 800 CD1 LEU A 50 2.275 3.945 2.761 1.00 0.77 C ATOM 801 CD2 LEU A 50 2.569 5.649 4.575 1.00 0.74 C ATOM 0 H LEU A 50 -1.244 6.075 3.921 1.00 0.69 H new ATOM 0 HA LEU A 50 0.893 7.910 3.732 1.00 0.66 H new ATOM 0 HB2 LEU A 50 0.212 5.586 1.951 1.00 0.65 H new ATOM 0 HB3 LEU A 50 1.683 6.536 1.890 1.00 0.65 H new ATOM 0 HG LEU A 50 0.730 4.790 4.029 1.00 0.64 H new ATOM 0 HD11 LEU A 50 2.738 3.282 3.492 1.00 0.77 H new ATOM 0 HD12 LEU A 50 1.520 3.395 2.199 1.00 0.77 H new ATOM 0 HD13 LEU A 50 3.036 4.318 2.076 1.00 0.77 H new ATOM 0 HD21 LEU A 50 2.973 4.808 5.138 1.00 0.74 H new ATOM 0 HD22 LEU A 50 3.386 6.199 4.108 1.00 0.74 H new ATOM 0 HD23 LEU A 50 2.026 6.310 5.250 1.00 0.74 H new ATOM 813 N GLU A 51 0.065 9.371 1.762 1.00 0.70 N ATOM 814 CA GLU A 51 -0.331 10.128 0.617 1.00 0.76 C ATOM 815 C GLU A 51 0.138 9.554 -0.677 1.00 0.77 C ATOM 816 O GLU A 51 1.153 8.863 -0.741 1.00 1.23 O ATOM 817 CB GLU A 51 0.230 11.560 0.624 1.00 0.88 C ATOM 818 CG GLU A 51 0.137 12.136 2.039 1.00 1.35 C ATOM 819 CD GLU A 51 0.464 13.622 2.048 1.00 1.46 C ATOM 820 OE1 GLU A 51 -0.403 14.472 1.714 1.00 1.94 O ATOM 821 OE2 GLU A 51 1.666 13.942 2.249 1.00 1.89 O ATOM 0 H GLU A 51 0.727 9.854 2.369 1.00 0.70 H new ATOM 0 HA GLU A 51 -1.419 10.109 0.687 1.00 0.76 H new ATOM 0 HB2 GLU A 51 1.267 11.558 0.288 1.00 0.88 H new ATOM 0 HB3 GLU A 51 -0.329 12.185 -0.072 1.00 0.88 H new ATOM 0 HG2 GLU A 51 -0.867 11.979 2.434 1.00 1.35 H new ATOM 0 HG3 GLU A 51 0.825 11.605 2.697 1.00 1.35 H new ATOM 828 N ASP A 52 -0.535 9.896 -1.790 1.00 0.66 N ATOM 829 CA ASP A 52 -0.217 9.342 -3.069 1.00 0.65 C ATOM 830 C ASP A 52 1.086 9.797 -3.630 1.00 0.60 C ATOM 831 O ASP A 52 1.873 8.937 -4.021 1.00 0.62 O ATOM 832 CB ASP A 52 -1.288 9.785 -4.081 1.00 0.81 C ATOM 833 CG ASP A 52 -2.581 9.026 -3.824 1.00 0.95 C ATOM 834 OD1 ASP A 52 -2.574 7.795 -4.092 1.00 1.56 O ATOM 835 OD2 ASP A 52 -3.552 9.598 -3.260 1.00 1.44 O ATOM 0 H ASP A 52 -1.307 10.563 -1.803 1.00 0.66 H new ATOM 0 HA ASP A 52 -0.169 8.264 -2.916 1.00 0.65 H new ATOM 0 HB2 ASP A 52 -1.461 10.858 -3.995 1.00 0.81 H new ATOM 0 HB3 ASP A 52 -0.941 9.598 -5.097 1.00 0.81 H new ATOM 840 N GLY A 53 1.337 11.110 -3.779 1.00 0.68 N ATOM 841 CA GLY A 53 2.617 11.601 -4.184 1.00 0.73 C ATOM 842 C GLY A 53 3.650 11.633 -3.110 1.00 0.72 C ATOM 843 O GLY A 53 4.397 12.598 -2.960 1.00 0.97 O ATOM 0 H GLY A 53 0.643 11.840 -3.616 1.00 0.68 H new ATOM 0 HA2 GLY A 53 2.985 10.981 -5.002 1.00 0.73 H new ATOM 0 HA3 GLY A 53 2.494 12.610 -4.579 1.00 0.73 H new ATOM 847 N ARG A 54 3.795 10.545 -2.332 1.00 0.64 N ATOM 848 CA ARG A 54 4.928 10.256 -1.507 1.00 0.63 C ATOM 849 C ARG A 54 5.618 9.060 -2.066 1.00 0.59 C ATOM 850 O ARG A 54 5.022 8.158 -2.656 1.00 0.62 O ATOM 851 CB ARG A 54 4.595 10.042 -0.021 1.00 0.69 C ATOM 852 CG ARG A 54 4.321 11.347 0.731 1.00 0.82 C ATOM 853 CD ARG A 54 5.508 12.164 1.246 1.00 1.18 C ATOM 854 NE ARG A 54 4.980 13.462 1.753 1.00 1.50 N ATOM 855 CZ ARG A 54 5.813 14.520 1.976 1.00 2.00 C ATOM 856 NH1 ARG A 54 7.170 14.414 2.067 1.00 2.48 N ATOM 857 NH2 ARG A 54 5.342 15.766 2.276 1.00 2.49 N ATOM 0 H ARG A 54 3.077 9.823 -2.276 1.00 0.64 H new ATOM 0 HA ARG A 54 5.574 11.134 -1.524 1.00 0.63 H new ATOM 0 HB2 ARG A 54 3.722 9.394 0.059 1.00 0.69 H new ATOM 0 HB3 ARG A 54 5.424 9.521 0.459 1.00 0.69 H new ATOM 0 HG2 ARG A 54 3.738 11.991 0.073 1.00 0.82 H new ATOM 0 HG3 ARG A 54 3.689 11.109 1.586 1.00 0.82 H new ATOM 0 HD2 ARG A 54 6.027 11.626 2.040 1.00 1.18 H new ATOM 0 HD3 ARG A 54 6.232 12.331 0.448 1.00 1.18 H new ATOM 0 HE ARG A 54 3.981 13.561 1.936 1.00 1.50 H new ATOM 0 HH11 ARG A 54 7.618 13.503 1.967 1.00 2.48 H new ATOM 0 HH12 ARG A 54 7.736 15.245 2.235 1.00 2.48 H new ATOM 0 HH21 ARG A 54 4.337 15.930 2.340 1.00 2.49 H new ATOM 0 HH22 ARG A 54 5.995 16.533 2.436 1.00 2.49 H new ATOM 871 N THR A 55 6.920 8.828 -1.821 1.00 0.63 N ATOM 872 CA THR A 55 7.583 7.601 -2.138 1.00 0.61 C ATOM 873 C THR A 55 7.724 6.691 -0.967 1.00 0.59 C ATOM 874 O THR A 55 7.514 7.133 0.160 1.00 0.64 O ATOM 875 CB THR A 55 8.877 7.724 -2.888 1.00 0.68 C ATOM 876 OG1 THR A 55 9.891 8.374 -2.136 1.00 0.75 O ATOM 877 CG2 THR A 55 8.788 8.580 -4.164 1.00 0.76 C ATOM 0 H THR A 55 7.533 9.519 -1.387 1.00 0.63 H new ATOM 0 HA THR A 55 6.894 7.142 -2.847 1.00 0.61 H new ATOM 0 HB THR A 55 9.107 6.682 -3.112 1.00 0.68 H new ATOM 0 HG1 THR A 55 10.711 8.426 -2.670 1.00 0.75 H new ATOM 0 HG21 THR A 55 9.765 8.618 -4.646 1.00 0.76 H new ATOM 0 HG22 THR A 55 8.063 8.139 -4.848 1.00 0.76 H new ATOM 0 HG23 THR A 55 8.473 9.590 -3.903 1.00 0.76 H new ATOM 885 N LEU A 56 8.123 5.437 -1.248 1.00 0.58 N ATOM 886 CA LEU A 56 8.429 4.522 -0.192 1.00 0.59 C ATOM 887 C LEU A 56 9.595 4.966 0.623 1.00 0.64 C ATOM 888 O LEU A 56 9.524 4.952 1.851 1.00 0.70 O ATOM 889 CB LEU A 56 8.747 3.087 -0.642 1.00 0.60 C ATOM 890 CG LEU A 56 7.461 2.505 -1.250 1.00 0.63 C ATOM 891 CD1 LEU A 56 7.802 1.536 -2.394 1.00 1.05 C ATOM 892 CD2 LEU A 56 6.496 1.901 -0.216 1.00 1.03 C ATOM 0 H LEU A 56 8.232 5.061 -2.190 1.00 0.58 H new ATOM 0 HA LEU A 56 7.504 4.517 0.385 1.00 0.59 H new ATOM 0 HB2 LEU A 56 9.554 3.084 -1.374 1.00 0.60 H new ATOM 0 HB3 LEU A 56 9.080 2.484 0.203 1.00 0.60 H new ATOM 0 HG LEU A 56 6.902 3.341 -1.670 1.00 0.63 H new ATOM 0 HD11 LEU A 56 6.881 1.132 -2.815 1.00 1.05 H new ATOM 0 HD12 LEU A 56 8.353 2.068 -3.170 1.00 1.05 H new ATOM 0 HD13 LEU A 56 8.414 0.720 -2.010 1.00 1.05 H new ATOM 0 HD21 LEU A 56 5.614 1.512 -0.725 1.00 1.03 H new ATOM 0 HD22 LEU A 56 6.994 1.091 0.317 1.00 1.03 H new ATOM 0 HD23 LEU A 56 6.195 2.671 0.494 1.00 1.03 H new ATOM 904 N SER A 57 10.608 5.557 -0.036 1.00 0.68 N ATOM 905 CA SER A 57 11.787 6.030 0.619 1.00 0.75 C ATOM 906 C SER A 57 11.557 7.254 1.439 1.00 0.76 C ATOM 907 O SER A 57 12.019 7.381 2.572 1.00 0.84 O ATOM 908 CB SER A 57 12.752 6.452 -0.501 1.00 0.84 C ATOM 909 OG SER A 57 14.035 6.850 -0.042 1.00 1.19 O ATOM 0 H SER A 57 10.607 5.709 -1.045 1.00 0.68 H new ATOM 0 HA SER A 57 12.150 5.240 1.277 1.00 0.75 H new ATOM 0 HB2 SER A 57 12.869 5.622 -1.197 1.00 0.84 H new ATOM 0 HB3 SER A 57 12.306 7.275 -1.059 1.00 0.84 H new ATOM 0 HG SER A 57 14.593 7.102 -0.807 1.00 1.19 H new ATOM 915 N ASP A 58 10.692 8.185 1.000 1.00 0.75 N ATOM 916 CA ASP A 58 10.243 9.250 1.842 1.00 0.78 C ATOM 917 C ASP A 58 9.623 8.958 3.165 1.00 0.77 C ATOM 918 O ASP A 58 9.814 9.757 4.080 1.00 0.86 O ATOM 919 CB ASP A 58 9.379 10.218 1.015 1.00 0.83 C ATOM 920 CG ASP A 58 9.440 11.682 1.426 1.00 1.23 C ATOM 921 OD1 ASP A 58 10.313 12.122 2.221 1.00 1.90 O ATOM 922 OD2 ASP A 58 8.435 12.365 1.093 1.00 1.86 O ATOM 0 H ASP A 58 10.302 8.200 0.058 1.00 0.75 H new ATOM 0 HA ASP A 58 11.181 9.691 2.179 1.00 0.78 H new ATOM 0 HB2 ASP A 58 9.681 10.141 -0.030 1.00 0.83 H new ATOM 0 HB3 ASP A 58 8.342 9.888 1.072 1.00 0.83 H new ATOM 927 N TYR A 59 8.826 7.887 3.320 1.00 0.72 N ATOM 928 CA TYR A 59 8.194 7.540 4.556 1.00 0.73 C ATOM 929 C TYR A 59 9.109 6.605 5.268 1.00 0.76 C ATOM 930 O TYR A 59 8.813 6.068 6.333 1.00 0.89 O ATOM 931 CB TYR A 59 6.892 6.751 4.342 1.00 0.73 C ATOM 932 CG TYR A 59 5.791 7.705 4.031 1.00 0.67 C ATOM 933 CD1 TYR A 59 5.456 8.569 5.047 1.00 0.74 C ATOM 934 CD2 TYR A 59 5.094 7.594 2.852 1.00 0.67 C ATOM 935 CE1 TYR A 59 4.335 9.353 4.911 1.00 0.77 C ATOM 936 CE2 TYR A 59 3.977 8.389 2.750 1.00 0.70 C ATOM 937 CZ TYR A 59 3.617 9.271 3.741 1.00 0.74 C ATOM 938 OH TYR A 59 2.359 9.894 3.604 1.00 0.86 O ATOM 0 H TYR A 59 8.614 7.240 2.560 1.00 0.72 H new ATOM 0 HA TYR A 59 7.979 8.463 5.095 1.00 0.73 H new ATOM 0 HB2 TYR A 59 7.014 6.038 3.526 1.00 0.73 H new ATOM 0 HB3 TYR A 59 6.650 6.175 5.235 1.00 0.73 H new ATOM 0 HD1 TYR A 59 6.064 8.631 5.938 1.00 0.74 H new ATOM 0 HD2 TYR A 59 5.402 6.928 2.060 1.00 0.67 H new ATOM 0 HE1 TYR A 59 4.026 10.018 5.704 1.00 0.77 H new ATOM 0 HE2 TYR A 59 3.363 8.318 1.864 1.00 0.70 H new ATOM 0 HH TYR A 59 2.327 10.694 4.170 1.00 0.86 H new ATOM 948 N ASN A 60 10.336 6.464 4.735 1.00 0.74 N ATOM 949 CA ASN A 60 11.282 5.468 5.135 1.00 0.79 C ATOM 950 C ASN A 60 10.778 4.074 5.280 1.00 0.75 C ATOM 951 O ASN A 60 11.165 3.417 6.244 1.00 0.86 O ATOM 952 CB ASN A 60 12.025 5.952 6.392 1.00 0.95 C ATOM 953 CG ASN A 60 12.892 7.160 6.062 1.00 1.25 C ATOM 954 OD1 ASN A 60 13.943 7.110 5.426 1.00 1.84 O ATOM 955 ND2 ASN A 60 12.405 8.368 6.455 1.00 1.83 N ATOM 0 H ASN A 60 10.684 7.071 3.993 1.00 0.74 H new ATOM 0 HA ASN A 60 11.967 5.369 4.293 1.00 0.79 H new ATOM 0 HB2 ASN A 60 11.307 6.213 7.169 1.00 0.95 H new ATOM 0 HB3 ASN A 60 12.645 5.148 6.788 1.00 0.95 H new ATOM 0 HD21 ASN A 60 12.911 9.222 6.222 1.00 1.83 H new ATOM 0 HD22 ASN A 60 11.534 8.419 6.983 1.00 1.83 H new ATOM 962 N ILE A 61 9.961 3.578 4.333 1.00 0.67 N ATOM 963 CA ILE A 61 9.503 2.224 4.356 1.00 0.65 C ATOM 964 C ILE A 61 10.546 1.413 3.669 1.00 0.66 C ATOM 965 O ILE A 61 10.831 1.725 2.514 1.00 0.75 O ATOM 966 CB ILE A 61 8.167 1.980 3.720 1.00 0.63 C ATOM 967 CG1 ILE A 61 7.117 2.775 4.516 1.00 0.70 C ATOM 968 CG2 ILE A 61 7.797 0.487 3.754 1.00 0.72 C ATOM 969 CD1 ILE A 61 5.738 2.689 3.865 1.00 0.82 C ATOM 0 H ILE A 61 9.615 4.122 3.543 1.00 0.67 H new ATOM 0 HA ILE A 61 9.353 1.946 5.399 1.00 0.65 H new ATOM 0 HB ILE A 61 8.202 2.295 2.677 1.00 0.63 H new ATOM 0 HG12 ILE A 61 7.064 2.391 5.535 1.00 0.70 H new ATOM 0 HG13 ILE A 61 7.424 3.819 4.584 1.00 0.70 H new ATOM 0 HG21 ILE A 61 6.823 0.343 3.286 1.00 0.72 H new ATOM 0 HG22 ILE A 61 8.549 -0.087 3.212 1.00 0.72 H new ATOM 0 HG23 ILE A 61 7.756 0.146 4.788 1.00 0.72 H new ATOM 0 HD11 ILE A 61 5.021 3.262 4.454 1.00 0.82 H new ATOM 0 HD12 ILE A 61 5.786 3.097 2.855 1.00 0.82 H new ATOM 0 HD13 ILE A 61 5.421 1.647 3.821 1.00 0.82 H new ATOM 981 N GLN A 62 11.150 0.410 4.332 1.00 0.67 N ATOM 982 CA GLN A 62 12.158 -0.437 3.770 1.00 0.70 C ATOM 983 C GLN A 62 11.528 -1.754 3.473 1.00 0.62 C ATOM 984 O GLN A 62 10.327 -1.978 3.624 1.00 0.64 O ATOM 985 CB GLN A 62 13.389 -0.626 4.672 1.00 0.85 C ATOM 986 CG GLN A 62 14.037 0.748 4.853 1.00 1.27 C ATOM 987 CD GLN A 62 15.407 0.674 5.511 1.00 1.57 C ATOM 988 OE1 GLN A 62 16.397 0.721 4.783 1.00 2.08 O ATOM 989 NE2 GLN A 62 15.479 0.520 6.860 1.00 2.16 N ATOM 0 H GLN A 62 10.927 0.179 5.300 1.00 0.67 H new ATOM 0 HA GLN A 62 12.536 0.044 2.868 1.00 0.70 H new ATOM 0 HB2 GLN A 62 13.098 -1.044 5.636 1.00 0.85 H new ATOM 0 HB3 GLN A 62 14.092 -1.326 4.220 1.00 0.85 H new ATOM 0 HG2 GLN A 62 14.132 1.230 3.880 1.00 1.27 H new ATOM 0 HG3 GLN A 62 13.383 1.376 5.457 1.00 1.27 H new ATOM 0 HE21 GLN A 62 14.624 0.488 7.416 1.00 2.16 H new ATOM 0 HE22 GLN A 62 16.388 0.437 7.316 1.00 2.16 H new ATOM 998 N LYS A 63 12.332 -2.680 2.921 1.00 0.64 N ATOM 999 CA LYS A 63 11.917 -4.032 2.712 1.00 0.62 C ATOM 1000 C LYS A 63 11.279 -4.742 3.855 1.00 0.59 C ATOM 1001 O LYS A 63 11.536 -4.505 5.035 1.00 0.66 O ATOM 1002 CB LYS A 63 13.230 -4.696 2.262 1.00 0.74 C ATOM 1003 CG LYS A 63 14.328 -4.674 3.327 1.00 0.89 C ATOM 1004 CD LYS A 63 15.485 -5.520 2.791 1.00 1.11 C ATOM 1005 CE LYS A 63 16.540 -5.820 3.856 1.00 1.47 C ATOM 1006 NZ LYS A 63 16.008 -6.816 4.813 1.00 2.12 N ATOM 0 H LYS A 63 13.286 -2.487 2.615 1.00 0.64 H new ATOM 0 HA LYS A 63 11.095 -4.075 1.998 1.00 0.62 H new ATOM 0 HB2 LYS A 63 13.027 -5.730 1.984 1.00 0.74 H new ATOM 0 HB3 LYS A 63 13.594 -4.191 1.367 1.00 0.74 H new ATOM 0 HG2 LYS A 63 14.655 -3.653 3.523 1.00 0.89 H new ATOM 0 HG3 LYS A 63 13.959 -5.077 4.270 1.00 0.89 H new ATOM 0 HD2 LYS A 63 15.092 -6.459 2.400 1.00 1.11 H new ATOM 0 HD3 LYS A 63 15.955 -4.999 1.957 1.00 1.11 H new ATOM 0 HE2 LYS A 63 17.448 -6.200 3.387 1.00 1.47 H new ATOM 0 HE3 LYS A 63 16.812 -4.905 4.381 1.00 1.47 H new ATOM 0 HZ1 LYS A 63 16.793 -7.375 5.205 1.00 2.12 H new ATOM 0 HZ2 LYS A 63 15.513 -6.326 5.585 1.00 2.12 H new ATOM 0 HZ3 LYS A 63 15.344 -7.448 4.323 1.00 2.12 H new ATOM 1020 N GLU A 64 10.454 -5.755 3.539 1.00 0.57 N ATOM 1021 CA GLU A 64 9.842 -6.692 4.429 1.00 0.58 C ATOM 1022 C GLU A 64 8.892 -6.194 5.463 1.00 0.56 C ATOM 1023 O GLU A 64 8.658 -6.826 6.492 1.00 0.70 O ATOM 1024 CB GLU A 64 10.910 -7.681 4.926 1.00 0.72 C ATOM 1025 CG GLU A 64 11.834 -8.265 3.855 1.00 0.96 C ATOM 1026 CD GLU A 64 13.014 -8.939 4.542 1.00 1.18 C ATOM 1027 OE1 GLU A 64 12.699 -9.600 5.568 1.00 1.71 O ATOM 1028 OE2 GLU A 64 14.160 -8.831 4.031 1.00 1.69 O ATOM 0 H GLU A 64 10.192 -5.933 2.569 1.00 0.57 H new ATOM 0 HA GLU A 64 9.103 -7.220 3.827 1.00 0.58 H new ATOM 0 HB2 GLU A 64 11.524 -7.177 5.672 1.00 0.72 H new ATOM 0 HB3 GLU A 64 10.406 -8.505 5.432 1.00 0.72 H new ATOM 0 HG2 GLU A 64 11.293 -8.985 3.241 1.00 0.96 H new ATOM 0 HG3 GLU A 64 12.185 -7.477 3.188 1.00 0.96 H new ATOM 1035 N SER A 65 8.290 -5.034 5.146 1.00 0.51 N ATOM 1036 CA SER A 65 7.445 -4.269 6.009 1.00 0.51 C ATOM 1037 C SER A 65 5.998 -4.592 5.852 1.00 0.43 C ATOM 1038 O SER A 65 5.531 -4.934 4.767 1.00 0.50 O ATOM 1039 CB SER A 65 7.678 -2.788 5.662 1.00 0.65 C ATOM 1040 OG SER A 65 9.031 -2.421 5.887 1.00 1.04 O ATOM 0 H SER A 65 8.401 -4.604 4.228 1.00 0.51 H new ATOM 0 HA SER A 65 7.698 -4.502 7.043 1.00 0.51 H new ATOM 0 HB2 SER A 65 7.417 -2.610 4.619 1.00 0.65 H new ATOM 0 HB3 SER A 65 7.022 -2.161 6.266 1.00 0.65 H new ATOM 0 HG SER A 65 9.379 -1.953 5.099 1.00 1.04 H new ATOM 1046 N THR A 66 5.141 -4.566 6.888 1.00 0.45 N ATOM 1047 CA THR A 66 3.735 -4.794 6.759 1.00 0.45 C ATOM 1048 C THR A 66 2.938 -3.544 6.602 1.00 0.43 C ATOM 1049 O THR A 66 2.742 -2.848 7.597 1.00 0.58 O ATOM 1050 CB THR A 66 3.016 -5.605 7.796 1.00 0.61 C ATOM 1051 OG1 THR A 66 3.815 -6.714 8.184 1.00 0.79 O ATOM 1052 CG2 THR A 66 1.681 -6.160 7.273 1.00 0.78 C ATOM 0 H THR A 66 5.436 -4.380 7.847 1.00 0.45 H new ATOM 0 HA THR A 66 3.776 -5.404 5.857 1.00 0.45 H new ATOM 0 HB THR A 66 2.824 -4.939 8.637 1.00 0.61 H new ATOM 0 HG1 THR A 66 3.340 -7.238 8.862 1.00 0.79 H new ATOM 0 HG21 THR A 66 1.196 -6.740 8.058 1.00 0.78 H new ATOM 0 HG22 THR A 66 1.033 -5.334 6.980 1.00 0.78 H new ATOM 0 HG23 THR A 66 1.866 -6.800 6.410 1.00 0.78 H new ATOM 1060 N LEU A 67 2.478 -3.257 5.372 1.00 0.38 N ATOM 1061 CA LEU A 67 1.577 -2.181 5.095 1.00 0.38 C ATOM 1062 C LEU A 67 0.172 -2.659 5.223 1.00 0.37 C ATOM 1063 O LEU A 67 -0.149 -3.789 4.859 1.00 0.50 O ATOM 1064 CB LEU A 67 1.885 -1.641 3.688 1.00 0.46 C ATOM 1065 CG LEU A 67 3.282 -1.016 3.549 1.00 0.65 C ATOM 1066 CD1 LEU A 67 4.336 -2.027 3.066 1.00 1.40 C ATOM 1067 CD2 LEU A 67 3.227 0.215 2.628 1.00 1.31 C ATOM 0 H LEU A 67 2.741 -3.790 4.543 1.00 0.38 H new ATOM 0 HA LEU A 67 1.704 -1.368 5.810 1.00 0.38 H new ATOM 0 HB2 LEU A 67 1.789 -2.455 2.969 1.00 0.46 H new ATOM 0 HB3 LEU A 67 1.136 -0.894 3.425 1.00 0.46 H new ATOM 0 HG LEU A 67 3.596 -0.697 4.543 1.00 0.65 H new ATOM 0 HD11 LEU A 67 5.304 -1.533 2.985 1.00 1.40 H new ATOM 0 HD12 LEU A 67 4.406 -2.848 3.779 1.00 1.40 H new ATOM 0 HD13 LEU A 67 4.046 -2.417 2.091 1.00 1.40 H new ATOM 0 HD21 LEU A 67 4.224 0.647 2.539 1.00 1.31 H new ATOM 0 HD22 LEU A 67 2.872 -0.084 1.642 1.00 1.31 H new ATOM 0 HD23 LEU A 67 2.547 0.955 3.050 1.00 1.31 H new ATOM 1079 N HIS A 68 -0.807 -1.895 5.737 1.00 0.35 N ATOM 1080 CA HIS A 68 -2.160 -2.336 5.893 1.00 0.37 C ATOM 1081 C HIS A 68 -2.994 -1.694 4.838 1.00 0.35 C ATOM 1082 O HIS A 68 -3.143 -0.474 4.811 1.00 0.48 O ATOM 1083 CB HIS A 68 -2.679 -1.937 7.284 1.00 0.49 C ATOM 1084 CG HIS A 68 -1.796 -2.413 8.399 1.00 0.75 C ATOM 1085 ND1 HIS A 68 -0.696 -1.703 8.836 1.00 1.35 N ATOM 1086 CD2 HIS A 68 -1.845 -3.562 9.125 1.00 1.48 C ATOM 1087 CE1 HIS A 68 -0.032 -2.481 9.731 1.00 1.41 C ATOM 1088 NE2 HIS A 68 -0.712 -3.599 9.911 1.00 1.51 N ATOM 0 H HIS A 68 -0.653 -0.938 6.055 1.00 0.35 H new ATOM 0 HA HIS A 68 -2.212 -3.421 5.798 1.00 0.37 H new ATOM 0 HB2 HIS A 68 -2.766 -0.852 7.335 1.00 0.49 H new ATOM 0 HB3 HIS A 68 -3.681 -2.344 7.422 1.00 0.49 H new ATOM 0 HD1 HIS A 68 -0.429 -0.764 8.541 1.00 1.35 H new ATOM 0 HD2 HIS A 68 -2.626 -4.307 9.092 1.00 1.48 H new ATOM 0 HE1 HIS A 68 0.899 -2.227 10.216 1.00 1.41 H new ATOM 1096 N LEU A 69 -3.672 -2.411 3.925 1.00 0.36 N ATOM 1097 CA LEU A 69 -4.518 -1.804 2.944 1.00 0.38 C ATOM 1098 C LEU A 69 -5.883 -1.755 3.539 1.00 0.41 C ATOM 1099 O LEU A 69 -6.425 -2.817 3.840 1.00 0.56 O ATOM 1100 CB LEU A 69 -4.578 -2.731 1.718 1.00 0.48 C ATOM 1101 CG LEU A 69 -5.608 -2.370 0.634 1.00 0.56 C ATOM 1102 CD1 LEU A 69 -5.285 -1.024 -0.037 1.00 1.01 C ATOM 1103 CD2 LEU A 69 -5.613 -3.450 -0.461 1.00 1.14 C ATOM 0 H LEU A 69 -3.633 -3.429 3.866 1.00 0.36 H new ATOM 0 HA LEU A 69 -4.157 -0.816 2.658 1.00 0.38 H new ATOM 0 HB2 LEU A 69 -3.590 -2.751 1.257 1.00 0.48 H new ATOM 0 HB3 LEU A 69 -4.788 -3.743 2.065 1.00 0.48 H new ATOM 0 HG LEU A 69 -6.579 -2.301 1.125 1.00 0.56 H new ATOM 0 HD11 LEU A 69 -6.036 -0.806 -0.796 1.00 1.01 H new ATOM 0 HD12 LEU A 69 -5.288 -0.233 0.713 1.00 1.01 H new ATOM 0 HD13 LEU A 69 -4.302 -1.077 -0.504 1.00 1.01 H new ATOM 0 HD21 LEU A 69 -6.344 -3.189 -1.226 1.00 1.14 H new ATOM 0 HD22 LEU A 69 -4.623 -3.515 -0.912 1.00 1.14 H new ATOM 0 HD23 LEU A 69 -5.875 -4.412 -0.022 1.00 1.14 H new ATOM 1115 N VAL A 70 -6.503 -0.563 3.485 1.00 0.45 N ATOM 1116 CA VAL A 70 -7.844 -0.247 3.869 1.00 0.56 C ATOM 1117 C VAL A 70 -8.489 0.368 2.675 1.00 0.55 C ATOM 1118 O VAL A 70 -7.813 0.943 1.823 1.00 0.58 O ATOM 1119 CB VAL A 70 -7.988 0.650 5.063 1.00 0.77 C ATOM 1120 CG1 VAL A 70 -9.461 0.757 5.493 1.00 1.23 C ATOM 1121 CG2 VAL A 70 -7.123 0.131 6.224 1.00 0.97 C ATOM 0 H VAL A 70 -6.013 0.261 3.137 1.00 0.45 H new ATOM 0 HA VAL A 70 -8.323 -1.172 4.190 1.00 0.56 H new ATOM 0 HB VAL A 70 -7.643 1.647 4.788 1.00 0.77 H new ATOM 0 HG11 VAL A 70 -9.540 1.412 6.360 1.00 1.23 H new ATOM 0 HG12 VAL A 70 -10.050 1.167 4.673 1.00 1.23 H new ATOM 0 HG13 VAL A 70 -9.838 -0.233 5.751 1.00 1.23 H new ATOM 0 HG21 VAL A 70 -7.236 0.790 7.085 1.00 0.97 H new ATOM 0 HG22 VAL A 70 -7.442 -0.876 6.494 1.00 0.97 H new ATOM 0 HG23 VAL A 70 -6.077 0.110 5.918 1.00 0.97 H new ATOM 1131 N LEU A 71 -9.800 0.244 2.400 1.00 0.73 N ATOM 1132 CA LEU A 71 -10.427 0.912 1.302 1.00 0.84 C ATOM 1133 C LEU A 71 -11.502 1.821 1.791 1.00 0.85 C ATOM 1134 O LEU A 71 -11.797 1.846 2.985 1.00 1.03 O ATOM 1135 CB LEU A 71 -11.138 -0.116 0.406 1.00 1.26 C ATOM 1136 CG LEU A 71 -10.269 -1.273 -0.114 1.00 1.86 C ATOM 1137 CD1 LEU A 71 -11.197 -2.191 -0.925 1.00 1.95 C ATOM 1138 CD2 LEU A 71 -8.987 -0.836 -0.844 1.00 2.78 C ATOM 0 H LEU A 71 -10.437 -0.331 2.951 1.00 0.73 H new ATOM 0 HA LEU A 71 -9.651 1.459 0.767 1.00 0.84 H new ATOM 0 HB2 LEU A 71 -11.974 -0.538 0.964 1.00 1.26 H new ATOM 0 HB3 LEU A 71 -11.560 0.409 -0.451 1.00 1.26 H new ATOM 0 HG LEU A 71 -9.845 -1.827 0.724 1.00 1.86 H new ATOM 0 HD11 LEU A 71 -10.625 -3.032 -1.317 1.00 1.95 H new ATOM 0 HD12 LEU A 71 -11.994 -2.563 -0.281 1.00 1.95 H new ATOM 0 HD13 LEU A 71 -11.631 -1.630 -1.752 1.00 1.95 H new ATOM 0 HD21 LEU A 71 -8.438 -1.718 -1.175 1.00 2.78 H new ATOM 0 HD22 LEU A 71 -9.250 -0.227 -1.709 1.00 2.78 H new ATOM 0 HD23 LEU A 71 -8.363 -0.254 -0.166 1.00 2.78 H new