USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=18 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 60 ASN : amide:sc= 0.373 K(o=0.74,f=-1.5) USER MOD Set 1.2: A 62 GLN : amide:sc= 0.368 K(o=0.74,f=-0.065) USER MOD Set 2.1: A 55 THR OG1 : rot -28:sc= 1.28 USER MOD Set 2.2: A 57 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 22 THR OG1 : rot 180:sc= 0.305 USER MOD Set 3.2: A 25 ASN : amide:sc= 0.322 K(o=0.63,f=0) USER MOD Set 4.1: A 6 LYS NZ :NH3+ -171:sc= 1.94 (180deg=0.766) USER MOD Set 4.2: A 12 THR OG1 : rot 180:sc= 0.87 USER MOD Single : A 1 MET CE :methyl -142:sc= -0.143 (180deg=-1.01) USER MOD Single : A 1 MET N :NH3+ 176:sc= 1.28 (180deg=1.17) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0.24) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 165:sc= 1.25 (180deg=0.831) 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 27 LYS NZ :NH3+ -176:sc= 1.51 (180deg=1.43) USER MOD Single : A 29 LYS NZ :NH3+ -173:sc= 0.821 (180deg=0.796) USER MOD Single : A 31 GLN : amide:sc= -0.0192 X(o=-0.019,f=-0.35) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.339 K(o=-0.34,f=-0.86) USER MOD Single : A 41 GLN : amide:sc= 0.0462 K(o=0.046,f=-4.7!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 59 TYR OH : rot 150:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ -159:sc= -0.0201 (180deg=-0.297) USER MOD Single : A 65 SER OG : rot 87:sc= 1.15 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.656 -7.133 -4.917 1.00 9.67 N ATOM 2 CA MET A 1 11.490 -7.554 -3.490 1.00 10.38 C ATOM 3 C MET A 1 10.046 -7.869 -3.037 1.00 9.62 C ATOM 4 O MET A 1 9.049 -7.704 -3.775 1.00 9.62 O ATOM 5 CB MET A 1 12.214 -6.507 -2.534 1.00 13.77 C ATOM 6 CG MET A 1 11.562 -5.111 -2.342 1.00 16.29 C ATOM 7 SD MET A 1 12.486 -3.958 -1.271 1.00 17.17 S ATOM 8 CE MET A 1 11.015 -3.015 -0.915 1.00 16.11 C ATOM 0 H1 MET A 1 12.650 -6.883 -5.092 1.00 9.67 H new ATOM 0 H2 MET A 1 11.380 -7.916 -5.544 1.00 9.67 H new ATOM 0 H3 MET A 1 11.053 -6.308 -5.108 1.00 9.67 H new ATOM 0 HA MET A 1 11.977 -8.526 -3.411 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.311 -6.967 -1.550 1.00 13.77 H new ATOM 0 HB3 MET A 1 13.224 -6.353 -2.914 1.00 13.77 H new ATOM 0 HG2 MET A 1 11.436 -4.649 -3.321 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.565 -5.249 -1.924 1.00 16.29 H new ATOM 0 HE1 MET A 1 11.264 -1.955 -0.872 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.277 -3.183 -1.699 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.604 -3.330 0.044 1.00 16.11 H new ATOM 20 N GLN A 2 9.851 -8.493 -1.886 1.00 9.27 N ATOM 21 CA GLN A 2 8.514 -8.873 -1.394 1.00 9.07 C ATOM 22 C GLN A 2 8.173 -7.857 -0.319 1.00 8.72 C ATOM 23 O GLN A 2 9.047 -7.254 0.324 1.00 8.22 O ATOM 24 CB GLN A 2 8.546 -10.383 -0.995 1.00 14.46 C ATOM 25 CG GLN A 2 7.199 -11.028 -0.638 1.00 17.01 C ATOM 26 CD GLN A 2 7.336 -12.457 -0.023 1.00 20.10 C ATOM 27 OE1 GLN A 2 7.015 -12.706 1.118 1.00 21.89 O ATOM 28 NE2 GLN A 2 7.716 -13.447 -0.884 1.00 19.49 N ATOM 0 H GLN A 2 10.610 -8.756 -1.257 1.00 9.27 H new ATOM 0 HA GLN A 2 7.703 -8.827 -2.121 1.00 9.07 H new ATOM 0 HB2 GLN A 2 8.985 -10.944 -1.820 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.215 -10.496 -0.142 1.00 14.46 H new ATOM 0 HG2 GLN A 2 6.674 -10.386 0.069 1.00 17.01 H new ATOM 0 HG3 GLN A 2 6.583 -11.085 -1.536 1.00 17.01 H new ATOM 0 HE21 GLN A 2 7.983 -13.216 -1.841 1.00 19.49 H new ATOM 0 HE22 GLN A 2 7.733 -14.417 -0.570 1.00 19.49 H new ATOM 37 N ILE A 3 6.856 -7.645 -0.094 1.00 5.87 N ATOM 38 CA ILE A 3 6.239 -6.954 1.031 1.00 5.07 C ATOM 39 C ILE A 3 4.847 -7.474 1.247 1.00 4.01 C ATOM 40 O ILE A 3 4.234 -8.012 0.330 1.00 4.61 O ATOM 41 CB ILE A 3 6.119 -5.473 0.918 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.347 -4.925 -0.347 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.518 -4.834 1.066 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.967 -3.457 -0.142 1.00 10.83 C ATOM 0 H ILE A 3 6.155 -7.984 -0.752 1.00 5.87 H new ATOM 0 HA ILE A 3 6.923 -7.157 1.855 1.00 5.07 H new ATOM 0 HB ILE A 3 5.470 -5.168 1.739 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.972 -5.026 -1.235 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.450 -5.519 -0.520 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.434 -3.750 0.984 1.00 5.58 H new ATOM 0 HG22 ILE A 3 7.935 -5.093 2.039 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.174 -5.208 0.279 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.436 -3.092 -1.021 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.324 -3.366 0.734 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.870 -2.865 0.008 1.00 10.83 H new ATOM 56 N PHE A 4 4.343 -7.387 2.489 1.00 4.55 N ATOM 57 CA PHE A 4 3.046 -7.802 3.027 1.00 4.68 C ATOM 58 C PHE A 4 2.093 -6.666 3.183 1.00 5.30 C ATOM 59 O PHE A 4 2.424 -5.608 3.710 1.00 5.58 O ATOM 60 CB PHE A 4 3.154 -8.482 4.429 1.00 4.83 C ATOM 61 CG PHE A 4 4.251 -9.510 4.369 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.177 -10.686 3.595 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.412 -9.284 5.195 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.162 -11.659 3.661 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.413 -10.222 5.246 1.00 10.61 C ATOM 66 CZ PHE A 4 6.322 -11.377 4.409 1.00 8.90 C ATOM 0 H PHE A 4 4.910 -6.971 3.228 1.00 4.55 H new ATOM 0 HA PHE A 4 2.678 -8.513 2.287 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.371 -7.739 5.196 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.208 -8.951 4.698 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.334 -10.832 2.936 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.494 -8.376 5.774 1.00 8.34 H new ATOM 0 HE1 PHE A 4 5.044 -12.605 3.154 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.256 -10.089 5.908 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.164 -12.051 4.348 1.00 8.90 H new ATOM 76 N VAL A 5 0.878 -6.807 2.790 1.00 4.44 N ATOM 77 CA VAL A 5 -0.175 -5.809 3.083 1.00 3.87 C ATOM 78 C VAL A 5 -1.300 -6.477 3.850 1.00 4.93 C ATOM 79 O VAL A 5 -1.875 -7.475 3.461 1.00 6.84 O ATOM 80 CB VAL A 5 -0.726 -5.172 1.751 1.00 2.99 C ATOM 81 CG1 VAL A 5 -2.098 -4.476 1.909 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.364 -4.229 1.109 1.00 9.13 C ATOM 0 H VAL A 5 0.550 -7.609 2.252 1.00 4.44 H new ATOM 0 HA VAL A 5 0.253 -5.009 3.688 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.922 -5.993 1.061 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.409 -4.063 0.949 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.837 -5.202 2.249 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -2.016 -3.672 2.640 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -0.027 -3.794 0.189 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.614 -3.432 1.809 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.259 -4.808 0.884 1.00 9.13 H new ATOM 92 N LYS A 6 -1.498 -6.041 5.121 1.00 6.04 N ATOM 93 CA LYS A 6 -2.348 -6.637 6.130 1.00 6.12 C ATOM 94 C LYS A 6 -3.721 -5.987 6.042 1.00 6.57 C ATOM 95 O LYS A 6 -3.811 -4.766 6.223 1.00 5.76 O ATOM 96 CB LYS A 6 -1.812 -6.451 7.544 1.00 7.45 C ATOM 97 CG LYS A 6 -0.998 -7.600 8.133 1.00 11.12 C ATOM 98 CD LYS A 6 -1.627 -8.976 8.045 1.00 14.54 C ATOM 99 CE LYS A 6 -1.093 -9.978 9.034 1.00 18.84 C ATOM 100 NZ LYS A 6 -1.663 -11.315 8.868 1.00 20.55 N ATOM 0 H LYS A 6 -1.027 -5.206 5.470 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.389 -7.709 5.937 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.191 -5.555 7.556 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.658 -6.261 8.205 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -0.033 -7.631 7.628 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -0.802 -7.379 9.182 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -2.703 -8.879 8.192 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -1.477 -9.365 7.038 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -0.009 -10.037 8.932 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -1.299 -9.626 10.045 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -1.375 -11.917 9.666 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -2.701 -11.249 8.841 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -1.319 -11.731 7.979 1.00 20.55 H new ATOM 114 N THR A 7 -4.797 -6.728 5.616 1.00 7.41 N ATOM 115 CA THR A 7 -6.170 -6.203 5.454 1.00 7.48 C ATOM 116 C THR A 7 -6.758 -5.713 6.781 1.00 8.75 C ATOM 117 O THR A 7 -6.156 -5.704 7.854 1.00 8.58 O ATOM 118 CB THR A 7 -7.100 -7.127 4.644 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.457 -8.308 5.350 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.410 -7.547 3.329 1.00 9.17 C ATOM 0 H THR A 7 -4.719 -7.716 5.377 1.00 7.41 H new ATOM 0 HA THR A 7 -6.088 -5.316 4.825 1.00 7.48 H new ATOM 0 HB THR A 7 -8.008 -6.555 4.451 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.048 -8.856 4.793 1.00 11.78 H new ATOM 0 HG21 THR A 7 -7.074 -8.200 2.762 1.00 9.17 H new ATOM 0 HG22 THR A 7 -6.182 -6.660 2.738 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.486 -8.078 3.557 1.00 9.17 H new ATOM 128 N LEU A 8 -8.014 -5.245 6.692 1.00 9.84 N ATOM 129 CA LEU A 8 -8.712 -4.877 7.890 1.00 14.15 C ATOM 130 C LEU A 8 -8.973 -6.037 8.781 1.00 17.37 C ATOM 131 O LEU A 8 -8.725 -5.874 9.983 1.00 17.01 O ATOM 132 CB LEU A 8 -10.041 -4.090 7.636 1.00 16.63 C ATOM 133 CG LEU A 8 -10.068 -2.612 7.173 1.00 18.88 C ATOM 134 CD1 LEU A 8 -11.527 -2.194 7.048 1.00 19.31 C ATOM 135 CD2 LEU A 8 -9.327 -1.665 8.054 1.00 18.59 C ATOM 0 H LEU A 8 -8.535 -5.123 5.824 1.00 9.84 H new ATOM 0 HA LEU A 8 -8.027 -4.197 8.396 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -10.600 -4.658 6.892 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.610 -4.134 8.565 1.00 16.63 H new ATOM 0 HG LEU A 8 -9.544 -2.560 6.219 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -11.581 -1.155 6.723 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -12.026 -2.830 6.317 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -12.019 -2.298 8.015 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -9.403 -0.656 7.649 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -9.757 -1.687 9.055 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -8.278 -1.958 8.103 1.00 18.59 H new ATOM 147 N THR A 9 -9.393 -7.239 8.287 1.00 18.33 N ATOM 148 CA THR A 9 -9.673 -8.461 9.102 1.00 19.24 C ATOM 149 C THR A 9 -8.420 -9.305 9.213 1.00 19.48 C ATOM 150 O THR A 9 -8.367 -10.362 9.893 1.00 23.14 O ATOM 151 CB THR A 9 -10.790 -9.312 8.476 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.621 -9.618 7.091 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.171 -8.632 8.663 1.00 19.70 C ATOM 0 H THR A 9 -9.550 -7.388 7.290 1.00 18.33 H new ATOM 0 HA THR A 9 -9.996 -8.131 10.089 1.00 19.24 H new ATOM 0 HB THR A 9 -10.734 -10.259 9.014 1.00 18.97 H new ATOM 0 HG1 THR A 9 -11.375 -10.162 6.782 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.946 -9.252 8.212 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.376 -8.511 9.727 1.00 19.70 H new ATOM 0 HG23 THR A 9 -12.163 -7.654 8.182 1.00 19.70 H new ATOM 161 N GLY A 10 -7.339 -8.755 8.678 1.00 19.43 N ATOM 162 CA GLY A 10 -6.006 -9.241 8.958 1.00 18.74 C ATOM 163 C GLY A 10 -5.499 -10.313 8.080 1.00 17.62 C ATOM 164 O GLY A 10 -4.465 -10.875 8.369 1.00 19.74 O ATOM 0 H GLY A 10 -7.367 -7.960 8.039 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -5.317 -8.399 8.901 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -5.983 -9.603 9.986 1.00 18.74 H new ATOM 168 N LYS A 11 -6.210 -10.626 6.949 1.00 13.56 N ATOM 169 CA LYS A 11 -5.629 -11.280 5.767 1.00 11.91 C ATOM 170 C LYS A 11 -4.306 -10.704 5.336 1.00 10.18 C ATOM 171 O LYS A 11 -4.051 -9.488 5.270 1.00 9.10 O ATOM 172 CB LYS A 11 -6.599 -11.443 4.569 1.00 13.43 C ATOM 173 CG LYS A 11 -6.033 -12.503 3.641 1.00 16.69 C ATOM 174 CD LYS A 11 -7.005 -12.910 2.498 1.00 17.92 C ATOM 175 CE LYS A 11 -7.226 -11.818 1.433 1.00 20.81 C ATOM 176 NZ LYS A 11 -7.909 -12.289 0.161 1.00 21.93 N ATOM 0 H LYS A 11 -7.205 -10.423 6.849 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.430 -12.290 6.124 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.590 -11.734 4.919 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.713 -10.497 4.040 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.105 -12.134 3.204 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -5.780 -13.388 4.225 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -6.618 -13.804 2.009 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.968 -13.176 2.934 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -7.822 -11.019 1.873 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -6.260 -11.387 1.170 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -8.242 -11.465 -0.380 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -7.234 -12.831 -0.415 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -8.719 -12.893 0.405 1.00 21.93 H new ATOM 190 N THR A 12 -3.301 -11.518 5.060 1.00 9.63 N ATOM 191 CA THR A 12 -2.024 -11.117 4.472 1.00 9.85 C ATOM 192 C THR A 12 -2.160 -11.188 2.933 1.00 11.66 C ATOM 193 O THR A 12 -2.323 -12.221 2.301 1.00 12.33 O ATOM 194 CB THR A 12 -0.799 -11.936 4.868 1.00 10.85 C ATOM 195 OG1 THR A 12 -0.865 -12.280 6.279 1.00 10.91 O ATOM 196 CG2 THR A 12 0.328 -10.901 4.744 1.00 9.63 C ATOM 0 H THR A 12 -3.350 -12.520 5.246 1.00 9.63 H new ATOM 0 HA THR A 12 -1.839 -10.116 4.861 1.00 9.85 H new ATOM 0 HB THR A 12 -0.692 -12.847 4.279 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.076 -12.807 6.524 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.279 -11.366 5.005 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.373 -10.533 3.719 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.133 -10.069 5.420 1.00 9.63 H new ATOM 204 N ILE A 13 -2.003 -9.989 2.280 1.00 10.42 N ATOM 205 CA ILE A 13 -1.815 -9.940 0.820 1.00 11.84 C ATOM 206 C ILE A 13 -0.288 -9.827 0.645 1.00 10.55 C ATOM 207 O ILE A 13 0.348 -8.882 1.040 1.00 11.92 O ATOM 208 CB ILE A 13 -2.374 -8.675 0.215 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.820 -8.438 0.653 1.00 14.87 C ATOM 210 CG2 ILE A 13 -2.296 -8.840 -1.355 1.00 17.08 C ATOM 211 CD1 ILE A 13 -4.333 -7.025 0.246 1.00 16.46 C ATOM 0 H ILE A 13 -2.005 -9.079 2.741 1.00 10.42 H new ATOM 0 HA ILE A 13 -2.297 -10.799 0.353 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.798 -7.812 0.550 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -4.462 -9.198 0.208 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -3.894 -8.552 1.735 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -2.691 -7.945 -1.835 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -1.258 -8.984 -1.655 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -2.885 -9.705 -1.660 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -5.364 -6.903 0.578 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.709 -6.263 0.713 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.286 -6.919 -0.838 1.00 16.46 H new ATOM 223 N THR A 14 0.308 -10.794 -0.077 1.00 9.39 N ATOM 224 CA THR A 14 1.780 -10.772 -0.238 1.00 9.63 C ATOM 225 C THR A 14 2.036 -10.283 -1.665 1.00 11.20 C ATOM 226 O THR A 14 1.516 -10.926 -2.574 1.00 11.63 O ATOM 227 CB THR A 14 2.418 -12.203 -0.145 1.00 10.38 C ATOM 228 OG1 THR A 14 2.230 -12.717 1.171 1.00 16.30 O ATOM 229 CG2 THR A 14 3.951 -12.203 -0.397 1.00 11.66 C ATOM 0 H THR A 14 -0.174 -11.565 -0.539 1.00 9.39 H new ATOM 0 HA THR A 14 2.211 -10.150 0.546 1.00 9.63 H new ATOM 0 HB THR A 14 1.929 -12.804 -0.911 1.00 10.38 H new ATOM 0 HG1 THR A 14 2.626 -13.611 1.233 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.333 -13.221 -0.319 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.156 -11.814 -1.395 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.442 -11.574 0.345 1.00 11.66 H new ATOM 237 N LEU A 15 2.689 -9.144 -1.854 1.00 8.29 N ATOM 238 CA LEU A 15 2.965 -8.469 -3.147 1.00 9.03 C ATOM 239 C LEU A 15 4.347 -8.838 -3.689 1.00 8.59 C ATOM 240 O LEU A 15 5.120 -9.586 -3.079 1.00 7.79 O ATOM 241 CB LEU A 15 2.924 -6.902 -3.098 1.00 11.08 C ATOM 242 CG LEU A 15 1.646 -6.302 -2.372 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.801 -4.843 -2.088 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.336 -6.570 -3.155 1.00 15.27 C ATOM 0 H LEU A 15 3.071 -8.621 -1.066 1.00 8.29 H new ATOM 0 HA LEU A 15 2.157 -8.823 -3.787 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.818 -6.543 -2.589 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.962 -6.518 -4.117 1.00 11.08 H new ATOM 0 HG LEU A 15 1.568 -6.826 -1.420 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.905 -4.472 -1.591 1.00 15.88 H new ATOM 0 HD12 LEU A 15 2.665 -4.688 -1.442 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.947 -4.304 -3.024 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.506 -6.138 -2.614 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.403 -6.116 -4.143 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.188 -7.645 -3.259 1.00 15.27 H new ATOM 256 N GLU A 16 4.660 -8.333 -4.879 1.00 11.04 N ATOM 257 CA GLU A 16 6.011 -8.265 -5.410 1.00 11.50 C ATOM 258 C GLU A 16 6.229 -6.778 -5.797 1.00 10.13 C ATOM 259 O GLU A 16 5.405 -6.205 -6.531 1.00 9.83 O ATOM 260 CB GLU A 16 6.255 -9.159 -6.593 1.00 17.22 C ATOM 261 CG GLU A 16 7.767 -9.146 -7.019 1.00 23.33 C ATOM 262 CD GLU A 16 7.978 -9.781 -8.363 1.00 26.99 C ATOM 263 OE1 GLU A 16 7.544 -9.205 -9.399 1.00 28.90 O ATOM 264 OE2 GLU A 16 8.690 -10.846 -8.444 1.00 28.86 O ATOM 0 H GLU A 16 3.960 -7.951 -5.515 1.00 11.04 H new ATOM 0 HA GLU A 16 6.714 -8.620 -4.657 1.00 11.50 H new ATOM 0 HB2 GLU A 16 5.953 -10.178 -6.350 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.637 -8.834 -7.430 1.00 17.22 H new ATOM 0 HG2 GLU A 16 8.128 -8.118 -7.043 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.359 -9.674 -6.271 1.00 23.33 H new ATOM 271 N VAL A 17 7.288 -6.116 -5.308 1.00 8.99 N ATOM 272 CA VAL A 17 7.457 -4.623 -5.441 1.00 8.85 C ATOM 273 C VAL A 17 8.979 -4.348 -5.627 1.00 8.04 C ATOM 274 O VAL A 17 9.866 -5.097 -5.207 1.00 8.99 O ATOM 275 CB VAL A 17 7.066 -3.841 -4.171 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.520 -3.766 -4.130 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.760 -4.390 -2.910 1.00 10.54 C ATOM 0 H VAL A 17 8.053 -6.574 -4.812 1.00 8.99 H new ATOM 0 HA VAL A 17 6.820 -4.304 -6.266 1.00 8.85 H new ATOM 0 HB VAL A 17 7.436 -2.816 -4.198 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.206 -3.218 -3.242 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.157 -3.253 -5.020 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.108 -4.774 -4.099 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.453 -3.806 -2.042 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.478 -5.433 -2.764 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.841 -4.320 -3.030 1.00 10.54 H new ATOM 287 N GLU A 18 9.279 -3.275 -6.395 1.00 7.29 N ATOM 288 CA GLU A 18 10.625 -2.715 -6.501 1.00 7.08 C ATOM 289 C GLU A 18 10.718 -1.527 -5.615 1.00 6.45 C ATOM 290 O GLU A 18 9.733 -0.784 -5.431 1.00 5.28 O ATOM 291 CB GLU A 18 10.752 -2.187 -8.006 1.00 10.28 C ATOM 292 CG GLU A 18 10.899 -3.349 -9.100 1.00 12.65 C ATOM 293 CD GLU A 18 12.194 -4.232 -8.967 1.00 14.15 C ATOM 294 OE1 GLU A 18 12.161 -5.252 -8.249 1.00 14.33 O ATOM 295 OE2 GLU A 18 13.283 -3.777 -9.424 1.00 18.17 O ATOM 0 H GLU A 18 8.585 -2.780 -6.956 1.00 7.29 H new ATOM 0 HA GLU A 18 11.388 -3.447 -6.235 1.00 7.08 H new ATOM 0 HB2 GLU A 18 9.873 -1.588 -8.244 1.00 10.28 H new ATOM 0 HB3 GLU A 18 11.616 -1.526 -8.076 1.00 10.28 H new ATOM 0 HG2 GLU A 18 10.027 -3.999 -9.036 1.00 12.65 H new ATOM 0 HG3 GLU A 18 10.887 -2.897 -10.092 1.00 12.65 H new ATOM 302 N PRO A 19 11.831 -1.216 -4.885 1.00 7.24 N ATOM 303 CA PRO A 19 11.982 -0.093 -3.985 1.00 7.07 C ATOM 304 C PRO A 19 11.803 1.318 -4.555 1.00 6.65 C ATOM 305 O PRO A 19 11.642 2.244 -3.787 1.00 6.37 O ATOM 306 CB PRO A 19 13.357 -0.244 -3.328 1.00 7.61 C ATOM 307 CG PRO A 19 14.061 -1.032 -4.401 1.00 8.16 C ATOM 308 CD PRO A 19 13.051 -1.980 -5.027 1.00 7.49 C ATOM 0 HA PRO A 19 11.146 -0.150 -3.287 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.835 0.716 -3.132 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.311 -0.777 -2.379 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.474 -0.363 -5.156 1.00 8.16 H new ATOM 0 HG3 PRO A 19 14.896 -1.590 -3.978 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.282 -2.199 -6.070 1.00 7.49 H new ATOM 0 HD3 PRO A 19 13.003 -2.935 -4.504 1.00 7.49 H new ATOM 316 N SER A 20 11.754 1.469 -5.916 1.00 6.80 N ATOM 317 CA SER A 20 11.433 2.717 -6.515 1.00 6.28 C ATOM 318 C SER A 20 10.048 2.676 -7.132 1.00 8.45 C ATOM 319 O SER A 20 9.707 3.473 -8.004 1.00 7.26 O ATOM 320 CB SER A 20 12.291 3.112 -7.696 1.00 8.57 C ATOM 321 OG SER A 20 13.535 3.438 -7.177 1.00 11.13 O ATOM 0 H SER A 20 11.939 0.717 -6.580 1.00 6.80 H new ATOM 0 HA SER A 20 11.563 3.413 -5.687 1.00 6.28 H new ATOM 0 HB2 SER A 20 12.370 2.293 -8.411 1.00 8.57 H new ATOM 0 HB3 SER A 20 11.856 3.959 -8.227 1.00 8.57 H new ATOM 0 HG SER A 20 14.135 3.702 -7.906 1.00 11.13 H new ATOM 327 N ASP A 21 9.211 1.697 -6.702 1.00 7.50 N ATOM 328 CA ASP A 21 7.787 1.785 -7.114 1.00 7.70 C ATOM 329 C ASP A 21 7.034 2.902 -6.419 1.00 7.08 C ATOM 330 O ASP A 21 7.226 3.134 -5.251 1.00 8.11 O ATOM 331 CB ASP A 21 6.988 0.475 -6.947 1.00 11.00 C ATOM 332 CG ASP A 21 7.179 -0.476 -8.097 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.118 -0.012 -9.285 1.00 18.03 O ATOM 334 OD2 ASP A 21 7.369 -1.696 -7.854 1.00 14.36 O ATOM 0 H ASP A 21 9.467 0.900 -6.119 1.00 7.50 H new ATOM 0 HA ASP A 21 7.857 2.001 -8.180 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.292 -0.015 -6.022 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.928 0.711 -6.849 1.00 11.00 H new ATOM 339 N THR A 22 6.235 3.646 -7.188 1.00 5.37 N ATOM 340 CA THR A 22 5.280 4.623 -6.652 1.00 6.01 C ATOM 341 C THR A 22 4.168 3.966 -5.855 1.00 8.01 C ATOM 342 O THR A 22 3.767 2.822 -6.009 1.00 8.11 O ATOM 343 CB THR A 22 4.615 5.522 -7.623 1.00 8.92 C ATOM 344 OG1 THR A 22 4.185 4.860 -8.749 1.00 10.22 O ATOM 345 CG2 THR A 22 5.719 6.448 -8.159 1.00 9.65 C ATOM 0 H THR A 22 6.231 3.588 -8.206 1.00 5.37 H new ATOM 0 HA THR A 22 5.940 5.234 -6.036 1.00 6.01 H new ATOM 0 HB THR A 22 3.775 6.000 -7.120 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.752 5.495 -9.357 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.293 7.140 -8.885 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.155 7.011 -7.333 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.494 5.850 -8.640 1.00 9.65 H new ATOM 353 N ILE A 23 3.615 4.740 -4.923 1.00 8.32 N ATOM 354 CA ILE A 23 2.486 4.309 -4.077 1.00 9.92 C ATOM 355 C ILE A 23 1.269 3.976 -4.895 1.00 10.01 C ATOM 356 O ILE A 23 0.511 3.054 -4.603 1.00 8.71 O ATOM 357 CB ILE A 23 2.206 5.174 -2.905 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.479 5.456 -2.021 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.106 4.628 -1.986 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.272 4.178 -1.537 1.00 12.30 C ATOM 0 H ILE A 23 3.933 5.689 -4.727 1.00 8.32 H new ATOM 0 HA ILE A 23 2.817 3.380 -3.612 1.00 9.92 H new ATOM 0 HB ILE A 23 1.864 6.104 -3.358 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.160 6.090 -2.589 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.171 6.024 -1.143 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.956 5.313 -1.151 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.177 4.532 -2.548 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.402 3.651 -1.605 1.00 10.90 H new ATOM 0 HD11 ILE A 23 5.128 4.487 -0.937 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.616 3.549 -0.936 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.620 3.616 -2.404 1.00 12.30 H new ATOM 372 N GLU A 24 1.025 4.735 -5.949 1.00 9.54 N ATOM 373 CA GLU A 24 0.019 4.481 -6.992 1.00 11.81 C ATOM 374 C GLU A 24 0.181 3.116 -7.632 1.00 11.14 C ATOM 375 O GLU A 24 -0.863 2.477 -7.841 1.00 10.62 O ATOM 376 CB GLU A 24 0.216 5.540 -8.094 1.00 19.24 C ATOM 377 CG GLU A 24 -0.741 5.385 -9.331 1.00 27.76 C ATOM 378 CD GLU A 24 -0.772 6.641 -10.179 1.00 32.92 C ATOM 379 OE1 GLU A 24 0.330 6.992 -10.755 1.00 36.51 O ATOM 380 OE2 GLU A 24 -1.818 7.319 -10.188 1.00 34.80 O ATOM 0 H GLU A 24 1.547 5.595 -6.119 1.00 9.54 H new ATOM 0 HA GLU A 24 -0.968 4.524 -6.532 1.00 11.81 H new ATOM 0 HB2 GLU A 24 0.069 6.529 -7.659 1.00 19.24 H new ATOM 0 HB3 GLU A 24 1.248 5.495 -8.442 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -0.414 4.543 -9.941 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -1.749 5.155 -8.985 1.00 27.76 H new ATOM 387 N ASN A 25 1.394 2.631 -8.016 1.00 9.43 N ATOM 388 CA ASN A 25 1.613 1.259 -8.373 1.00 10.96 C ATOM 389 C ASN A 25 1.340 0.236 -7.308 1.00 9.68 C ATOM 390 O ASN A 25 0.884 -0.858 -7.654 1.00 9.33 O ATOM 391 CB ASN A 25 3.041 1.077 -8.950 1.00 16.78 C ATOM 392 CG ASN A 25 3.063 1.371 -10.462 1.00 22.31 C ATOM 393 OD1 ASN A 25 2.790 0.499 -11.302 1.00 25.66 O ATOM 394 ND2 ASN A 25 3.301 2.659 -10.733 1.00 24.70 N ATOM 0 H ASN A 25 2.232 3.209 -8.077 1.00 9.43 H new ATOM 0 HA ASN A 25 0.856 1.055 -9.130 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.733 1.743 -8.436 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.384 0.059 -8.768 1.00 16.78 H new ATOM 0 HD21 ASN A 25 3.265 2.993 -11.696 1.00 24.70 H new ATOM 0 HD22 ASN A 25 3.518 3.308 -9.976 1.00 24.70 H new ATOM 401 N VAL A 26 1.651 0.464 -6.060 1.00 6.52 N ATOM 402 CA VAL A 26 1.426 -0.468 -4.977 1.00 5.53 C ATOM 403 C VAL A 26 -0.097 -0.737 -4.730 1.00 4.42 C ATOM 404 O VAL A 26 -0.430 -1.917 -4.657 1.00 3.40 O ATOM 405 CB VAL A 26 2.051 0.100 -3.692 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.615 -0.639 -2.368 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.564 0.101 -3.787 1.00 8.12 C ATOM 0 H VAL A 26 2.084 1.335 -5.754 1.00 6.52 H new ATOM 0 HA VAL A 26 1.888 -1.416 -5.252 1.00 5.53 H new ATOM 0 HB VAL A 26 1.668 1.118 -3.620 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.104 -0.172 -1.513 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.534 -0.568 -2.251 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.906 -1.688 -2.424 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.986 0.507 -2.868 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.920 -0.919 -3.931 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.875 0.716 -4.631 1.00 8.12 H new ATOM 417 N LYS A 27 -0.905 0.325 -4.763 1.00 2.64 N ATOM 418 CA LYS A 27 -2.358 0.272 -4.881 1.00 4.14 C ATOM 419 C LYS A 27 -2.906 -0.410 -6.112 1.00 5.58 C ATOM 420 O LYS A 27 -3.901 -1.124 -6.000 1.00 4.11 O ATOM 421 CB LYS A 27 -3.053 1.693 -4.734 1.00 3.97 C ATOM 422 CG LYS A 27 -2.779 2.419 -3.380 1.00 7.45 C ATOM 423 CD LYS A 27 -3.585 3.681 -3.099 1.00 9.02 C ATOM 424 CE LYS A 27 -3.253 4.897 -4.076 1.00 12.90 C ATOM 425 NZ LYS A 27 -4.253 5.886 -3.855 1.00 15.47 N ATOM 0 H LYS A 27 -0.549 1.279 -4.706 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.617 -0.362 -4.033 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.714 2.333 -5.548 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.129 1.569 -4.852 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.964 1.711 -2.572 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.721 2.677 -3.341 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -4.647 3.446 -3.177 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -3.402 3.994 -2.071 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -2.260 5.298 -3.871 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -3.256 4.570 -5.116 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -4.116 6.673 -4.521 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -5.194 5.467 -4.002 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.181 6.241 -2.880 1.00 15.47 H new ATOM 439 N ALA A 28 -2.278 -0.232 -7.253 1.00 6.61 N ATOM 440 CA ALA A 28 -2.700 -0.895 -8.472 1.00 7.74 C ATOM 441 C ALA A 28 -2.422 -2.405 -8.357 1.00 9.17 C ATOM 442 O ALA A 28 -3.192 -3.264 -8.793 1.00 11.45 O ATOM 443 CB ALA A 28 -2.176 -0.271 -9.773 1.00 7.68 C ATOM 0 H ALA A 28 -1.464 0.373 -7.365 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.775 -0.740 -8.561 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.548 -0.840 -10.625 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.521 0.760 -9.847 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.086 -0.290 -9.772 1.00 7.68 H new ATOM 449 N LYS A 29 -1.324 -2.728 -7.672 1.00 8.96 N ATOM 450 CA LYS A 29 -0.964 -4.091 -7.340 1.00 7.90 C ATOM 451 C LYS A 29 -1.936 -4.722 -6.366 1.00 6.92 C ATOM 452 O LYS A 29 -2.335 -5.864 -6.477 1.00 6.87 O ATOM 453 CB LYS A 29 0.486 -4.230 -6.757 1.00 10.28 C ATOM 454 CG LYS A 29 1.636 -3.931 -7.761 1.00 14.94 C ATOM 455 CD LYS A 29 2.963 -3.788 -7.059 1.00 19.69 C ATOM 456 CE LYS A 29 4.138 -3.235 -7.944 1.00 22.63 C ATOM 457 NZ LYS A 29 4.776 -4.356 -8.701 1.00 24.98 N ATOM 0 H LYS A 29 -0.657 -2.035 -7.332 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.005 -4.619 -8.293 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.584 -3.556 -5.906 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.612 -5.244 -6.377 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.697 -4.734 -8.495 1.00 14.94 H new ATOM 0 HG3 LYS A 29 1.413 -3.015 -8.308 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.833 -3.126 -6.203 1.00 19.69 H new ATOM 0 HD3 LYS A 29 3.254 -4.762 -6.666 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.760 -2.485 -8.638 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.879 -2.742 -7.314 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 5.624 -4.006 -9.191 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 5.046 -5.112 -8.040 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 4.103 -4.731 -9.399 1.00 24.98 H new ATOM 471 N ILE A 30 -2.306 -3.960 -5.322 1.00 4.57 N ATOM 472 CA ILE A 30 -3.273 -4.377 -4.286 1.00 5.58 C ATOM 473 C ILE A 30 -4.617 -4.645 -4.930 1.00 7.26 C ATOM 474 O ILE A 30 -5.360 -5.595 -4.569 1.00 9.46 O ATOM 475 CB ILE A 30 -3.507 -3.344 -3.147 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.299 -3.333 -2.313 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.795 -3.521 -2.313 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.200 -2.185 -1.310 1.00 2.00 C ATOM 0 H ILE A 30 -1.937 -3.021 -5.170 1.00 4.57 H new ATOM 0 HA ILE A 30 -2.831 -5.264 -3.832 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.682 -2.377 -3.618 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.248 -4.275 -1.766 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.428 -3.296 -2.967 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.846 -2.742 -1.552 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.664 -3.447 -2.966 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.785 -4.499 -1.832 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.271 -2.273 -0.747 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.213 -1.234 -1.843 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.046 -2.228 -0.624 1.00 2.00 H new ATOM 490 N GLN A 31 -5.053 -3.871 -5.940 1.00 7.06 N ATOM 491 CA GLN A 31 -6.301 -4.098 -6.706 1.00 8.67 C ATOM 492 C GLN A 31 -6.179 -5.309 -7.613 1.00 10.90 C ATOM 493 O GLN A 31 -7.146 -6.004 -7.884 1.00 9.63 O ATOM 494 CB GLN A 31 -6.733 -2.831 -7.502 1.00 9.12 C ATOM 495 CG GLN A 31 -8.025 -2.980 -8.268 1.00 10.76 C ATOM 496 CD GLN A 31 -8.407 -1.824 -9.124 1.00 13.78 C ATOM 497 OE1 GLN A 31 -9.521 -1.290 -9.044 1.00 14.48 O ATOM 498 NE2 GLN A 31 -7.531 -1.449 -10.077 1.00 14.76 N ATOM 0 H GLN A 31 -4.538 -3.050 -6.257 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.090 -4.305 -5.983 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.832 -1.998 -6.807 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.939 -2.569 -8.202 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -7.952 -3.866 -8.898 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.829 -3.162 -7.555 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -6.616 -1.896 -10.133 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -7.783 -0.718 -10.742 1.00 14.76 H new ATOM 507 N ASP A 32 -4.992 -5.584 -8.144 1.00 10.93 N ATOM 508 CA ASP A 32 -4.851 -6.771 -8.995 1.00 14.01 C ATOM 509 C ASP A 32 -4.958 -8.020 -8.221 1.00 14.04 C ATOM 510 O ASP A 32 -5.441 -9.065 -8.656 1.00 13.39 O ATOM 511 CB ASP A 32 -3.471 -6.712 -9.737 1.00 18.01 C ATOM 512 CG ASP A 32 -3.429 -7.813 -10.758 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.356 -7.765 -11.644 1.00 26.29 O ATOM 514 OD2 ASP A 32 -2.481 -8.632 -10.739 1.00 25.17 O ATOM 0 H ASP A 32 -4.145 -5.032 -8.012 1.00 10.93 H new ATOM 0 HA ASP A 32 -5.666 -6.770 -9.719 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.342 -5.743 -10.220 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -2.653 -6.825 -9.025 1.00 18.01 H new ATOM 519 N LYS A 33 -4.500 -8.076 -6.974 1.00 14.22 N ATOM 520 CA LYS A 33 -4.695 -9.180 -6.035 1.00 14.00 C ATOM 521 C LYS A 33 -6.142 -9.264 -5.567 1.00 12.37 C ATOM 522 O LYS A 33 -6.853 -10.252 -5.669 1.00 12.17 O ATOM 523 CB LYS A 33 -3.774 -8.848 -4.753 1.00 18.62 C ATOM 524 CG LYS A 33 -2.264 -8.730 -5.001 1.00 24.00 C ATOM 525 CD LYS A 33 -1.632 -10.109 -5.173 1.00 27.61 C ATOM 526 CE LYS A 33 -0.158 -10.078 -5.486 1.00 27.64 C ATOM 527 NZ LYS A 33 0.351 -11.491 -5.676 1.00 30.06 N ATOM 0 H LYS A 33 -3.955 -7.315 -6.569 1.00 14.22 H new ATOM 0 HA LYS A 33 -4.439 -10.125 -6.515 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.122 -7.911 -4.318 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -3.937 -9.626 -4.007 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.083 -8.129 -5.892 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -1.793 -8.211 -4.166 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -1.786 -10.683 -4.260 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.151 -10.637 -5.973 1.00 27.61 H new ATOM 0 HE2 LYS A 33 0.020 -9.492 -6.388 1.00 27.64 H new ATOM 0 HE3 LYS A 33 0.386 -9.591 -4.677 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 1.368 -11.468 -5.892 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 0.195 -12.036 -4.804 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -0.159 -11.941 -6.462 1.00 30.06 H new ATOM 541 N GLU A 34 -6.690 -8.149 -5.082 1.00 10.11 N ATOM 542 CA GLU A 34 -7.892 -8.245 -4.209 1.00 10.07 C ATOM 543 C GLU A 34 -9.041 -7.480 -4.764 1.00 9.32 C ATOM 544 O GLU A 34 -10.137 -7.526 -4.189 1.00 11.61 O ATOM 545 CB GLU A 34 -7.548 -7.560 -2.836 1.00 14.77 C ATOM 546 CG GLU A 34 -6.591 -8.347 -1.988 1.00 18.75 C ATOM 547 CD GLU A 34 -6.876 -9.779 -1.713 1.00 22.28 C ATOM 548 OE1 GLU A 34 -7.998 -10.055 -1.249 1.00 21.95 O ATOM 549 OE2 GLU A 34 -6.066 -10.702 -1.959 1.00 25.19 O ATOM 0 H GLU A 34 -6.351 -7.204 -5.259 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.156 -9.299 -4.119 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.122 -6.575 -3.029 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.471 -7.405 -2.277 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -5.611 -8.293 -2.462 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.509 -7.838 -1.027 1.00 18.75 H new ATOM 556 N GLY A 35 -8.977 -6.697 -5.850 1.00 7.22 N ATOM 557 CA GLY A 35 -10.162 -6.069 -6.523 1.00 6.29 C ATOM 558 C GLY A 35 -10.724 -4.903 -5.743 1.00 6.93 C ATOM 559 O GLY A 35 -11.911 -4.571 -5.768 1.00 7.41 O ATOM 0 H GLY A 35 -8.094 -6.468 -6.306 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -9.873 -5.730 -7.518 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -10.940 -6.821 -6.656 1.00 6.29 H new ATOM 563 N ILE A 36 -9.782 -4.229 -5.043 1.00 5.86 N ATOM 564 CA ILE A 36 -10.073 -3.063 -4.223 1.00 6.07 C ATOM 565 C ILE A 36 -9.621 -1.851 -5.026 1.00 6.36 C ATOM 566 O ILE A 36 -8.441 -1.713 -5.267 1.00 6.18 O ATOM 567 CB ILE A 36 -9.332 -3.044 -2.885 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.520 -4.359 -2.087 1.00 8.52 C ATOM 569 CG2 ILE A 36 -9.704 -1.842 -2.021 1.00 7.36 C ATOM 570 CD1 ILE A 36 -8.578 -4.520 -0.902 1.00 9.49 C ATOM 0 H ILE A 36 -8.797 -4.493 -5.041 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.137 -3.071 -3.988 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.277 -2.953 -3.141 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.548 -4.406 -1.727 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.380 -5.202 -2.763 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.148 -1.881 -1.084 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.457 -0.922 -2.551 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -10.773 -1.863 -1.809 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -8.780 -5.467 -0.402 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -7.546 -4.508 -1.253 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -8.732 -3.700 -0.201 1.00 9.49 H new ATOM 582 N PRO A 37 -10.490 -0.943 -5.493 1.00 8.65 N ATOM 583 CA PRO A 37 -10.141 0.361 -6.056 1.00 9.18 C ATOM 584 C PRO A 37 -9.108 1.239 -5.358 1.00 9.85 C ATOM 585 O PRO A 37 -9.195 1.425 -4.125 1.00 8.51 O ATOM 586 CB PRO A 37 -11.479 1.042 -5.939 1.00 11.42 C ATOM 587 CG PRO A 37 -12.442 -0.065 -6.466 1.00 9.27 C ATOM 588 CD PRO A 37 -11.876 -1.286 -5.752 1.00 8.33 C ATOM 0 HA PRO A 37 -9.667 0.217 -7.027 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.705 1.327 -4.911 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.531 1.950 -6.540 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.481 0.127 -6.199 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.405 -0.165 -7.551 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.414 -1.490 -4.826 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -11.955 -2.180 -6.370 1.00 8.33 H new ATOM 596 N PRO A 38 -8.192 1.852 -6.102 1.00 8.71 N ATOM 597 CA PRO A 38 -7.203 2.735 -5.456 1.00 9.08 C ATOM 598 C PRO A 38 -7.687 3.865 -4.715 1.00 9.28 C ATOM 599 O PRO A 38 -6.926 4.325 -3.903 1.00 6.50 O ATOM 600 CB PRO A 38 -6.402 3.129 -6.643 1.00 10.31 C ATOM 601 CG PRO A 38 -6.284 1.811 -7.442 1.00 10.81 C ATOM 602 CD PRO A 38 -7.648 1.229 -7.271 1.00 12.00 C ATOM 0 HA PRO A 38 -6.678 2.226 -4.648 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.897 3.908 -7.222 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.424 3.516 -6.358 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -6.043 1.988 -8.490 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.508 1.158 -7.043 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.270 1.425 -8.144 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.600 0.147 -7.151 1.00 12.00 H new ATOM 610 N ASP A 39 -8.962 4.342 -4.873 1.00 11.20 N ATOM 611 CA ASP A 39 -9.379 5.524 -4.085 1.00 14.96 C ATOM 612 C ASP A 39 -10.008 5.141 -2.774 1.00 13.99 C ATOM 613 O ASP A 39 -10.307 6.010 -1.982 1.00 13.75 O ATOM 614 CB ASP A 39 -10.429 6.365 -4.894 1.00 24.16 C ATOM 615 CG ASP A 39 -9.775 6.953 -6.096 1.00 31.06 C ATOM 616 OD1 ASP A 39 -9.131 8.026 -5.887 1.00 34.22 O ATOM 617 OD2 ASP A 39 -9.851 6.428 -7.246 1.00 35.55 O ATOM 0 H ASP A 39 -9.668 3.951 -5.497 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.477 6.103 -3.888 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -11.264 5.732 -5.194 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.839 7.156 -4.266 1.00 24.16 H new ATOM 622 N GLN A 40 -10.157 3.797 -2.522 1.00 11.60 N ATOM 623 CA GLN A 40 -10.772 3.257 -1.264 1.00 10.76 C ATOM 624 C GLN A 40 -9.700 2.842 -0.271 1.00 8.01 C ATOM 625 O GLN A 40 -9.974 2.625 0.920 1.00 8.96 O ATOM 626 CB GLN A 40 -11.510 1.916 -1.617 1.00 11.14 C ATOM 627 CG GLN A 40 -12.284 1.300 -0.485 1.00 14.85 C ATOM 628 CD GLN A 40 -12.943 -0.023 -0.892 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.024 -0.367 -2.080 1.00 20.52 O ATOM 630 NE2 GLN A 40 -13.467 -0.775 0.094 1.00 18.16 N ATOM 0 H GLN A 40 -9.859 3.072 -3.175 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.422 4.029 -0.852 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -12.193 2.102 -2.446 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -10.772 1.194 -1.968 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -11.616 1.128 0.359 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -13.050 1.998 -0.148 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -13.388 -0.471 1.064 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -13.943 -1.649 -0.129 1.00 18.16 H new ATOM 639 N GLN A 41 -8.418 2.974 -0.765 1.00 6.52 N ATOM 640 CA GLN A 41 -7.266 2.449 -0.090 1.00 3.87 C ATOM 641 C GLN A 41 -6.582 3.562 0.731 1.00 4.79 C ATOM 642 O GLN A 41 -5.964 4.474 0.187 1.00 6.34 O ATOM 643 CB GLN A 41 -6.312 1.902 -1.155 1.00 4.20 C ATOM 644 CG GLN A 41 -6.837 0.620 -1.784 1.00 3.20 C ATOM 645 CD GLN A 41 -5.658 0.005 -2.553 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.595 -0.188 -1.998 1.00 5.21 O ATOM 647 NE2 GLN A 41 -5.974 -0.350 -3.813 1.00 7.13 N ATOM 0 H GLN A 41 -8.201 3.451 -1.640 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.553 1.655 0.600 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.165 2.653 -1.931 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.337 1.713 -0.706 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.204 -0.066 -1.021 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.672 0.828 -2.453 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -6.900 -0.140 -4.185 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.287 -0.829 -4.395 1.00 7.13 H new ATOM 656 N ARG A 42 -6.572 3.441 2.043 1.00 5.73 N ATOM 657 CA ARG A 42 -5.558 4.251 2.807 1.00 6.97 C ATOM 658 C ARG A 42 -4.420 3.375 3.281 1.00 7.15 C ATOM 659 O ARG A 42 -4.557 2.410 3.976 1.00 7.33 O ATOM 660 CB ARG A 42 -6.207 5.030 3.959 1.00 13.23 C ATOM 661 CG ARG A 42 -5.269 6.051 4.668 1.00 21.27 C ATOM 662 CD ARG A 42 -5.678 6.539 6.070 1.00 26.14 C ATOM 663 NE ARG A 42 -6.974 7.261 5.947 1.00 32.26 N ATOM 664 CZ ARG A 42 -8.072 7.081 6.780 1.00 34.32 C ATOM 665 NH1 ARG A 42 -8.132 6.203 7.754 1.00 35.30 N ATOM 666 NH2 ARG A 42 -9.118 7.853 6.571 1.00 36.39 N ATOM 0 H ARG A 42 -7.189 2.847 2.597 1.00 5.73 H new ATOM 0 HA ARG A 42 -5.139 4.994 2.128 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -7.076 5.563 3.574 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -6.572 4.318 4.700 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -4.279 5.601 4.744 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -5.174 6.924 4.023 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -5.775 5.696 6.754 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -4.913 7.197 6.482 1.00 26.14 H new ATOM 0 HE ARG A 42 -7.063 7.941 5.192 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -7.336 5.594 7.941 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -8.975 6.130 8.324 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -9.099 8.546 5.823 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -9.947 7.758 7.157 1.00 36.39 H new ATOM 680 N LEU A 43 -3.168 3.734 2.895 1.00 4.65 N ATOM 681 CA LEU A 43 -2.057 2.898 3.151 1.00 3.51 C ATOM 682 C LEU A 43 -1.083 3.506 4.250 1.00 5.56 C ATOM 683 O LEU A 43 -0.635 4.654 4.130 1.00 4.19 O ATOM 684 CB LEU A 43 -1.134 2.589 1.928 1.00 3.74 C ATOM 685 CG LEU A 43 -1.806 2.176 0.584 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.718 1.490 -0.279 1.00 9.55 C ATOM 687 CD2 LEU A 43 -2.943 1.189 0.801 1.00 6.41 C ATOM 0 H LEU A 43 -2.944 4.602 2.409 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.550 1.981 3.473 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.526 3.473 1.738 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.452 1.790 2.219 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.220 3.062 0.104 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -1.149 1.184 -1.232 1.00 9.55 H new ATOM 0 HD12 LEU A 43 0.099 2.189 -0.458 1.00 9.55 H new ATOM 0 HD13 LEU A 43 -0.337 0.613 0.245 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -3.385 0.926 -0.160 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -2.557 0.290 1.281 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -3.702 1.643 1.438 1.00 6.41 H new ATOM 699 N ILE A 44 -0.958 2.820 5.392 1.00 4.58 N ATOM 700 CA ILE A 44 -0.176 3.397 6.536 1.00 5.55 C ATOM 701 C ILE A 44 1.057 2.520 6.774 1.00 5.46 C ATOM 702 O ILE A 44 0.926 1.254 6.817 1.00 6.04 O ATOM 703 CB ILE A 44 -1.046 3.384 7.831 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.415 4.145 7.580 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.259 4.035 8.987 1.00 7.39 C ATOM 706 CD1 ILE A 44 -2.325 5.646 7.288 1.00 13.90 C ATOM 0 H ILE A 44 -1.363 1.900 5.565 1.00 4.58 H new ATOM 0 HA ILE A 44 0.114 4.421 6.299 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.278 2.354 8.101 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.922 3.665 6.743 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -3.047 4.006 8.457 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -0.867 4.026 9.892 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.660 3.476 9.162 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.013 5.064 8.726 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.327 6.048 7.135 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -1.855 6.153 8.131 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -1.729 5.807 6.390 1.00 13.90 H new ATOM 718 N PHE A 45 2.263 3.146 6.906 1.00 6.75 N ATOM 719 CA PHE A 45 3.485 2.449 7.295 1.00 4.70 C ATOM 720 C PHE A 45 4.323 3.459 8.091 1.00 6.34 C ATOM 721 O PHE A 45 4.611 4.569 7.686 1.00 5.45 O ATOM 722 CB PHE A 45 4.220 1.837 6.007 1.00 5.51 C ATOM 723 CG PHE A 45 5.714 1.494 6.328 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.913 0.258 6.959 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.727 2.415 6.152 1.00 5.87 C ATOM 726 CE1 PHE A 45 7.263 -0.058 7.369 1.00 6.68 C ATOM 727 CE2 PHE A 45 8.016 2.097 6.531 1.00 6.64 C ATOM 728 CZ PHE A 45 8.330 0.808 7.129 1.00 6.84 C ATOM 0 H PHE A 45 2.395 4.144 6.742 1.00 6.75 H new ATOM 0 HA PHE A 45 3.293 1.583 7.928 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.699 0.938 5.678 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.175 2.550 5.184 1.00 5.51 H new ATOM 0 HD1 PHE A 45 5.096 -0.427 7.131 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.512 3.381 5.719 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.451 -0.993 7.876 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.806 2.818 6.381 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.345 0.534 7.376 1.00 6.84 H new ATOM 738 N ALA A 46 4.839 2.982 9.263 1.00 6.53 N ATOM 739 CA ALA A 46 5.772 3.624 10.091 1.00 7.15 C ATOM 740 C ALA A 46 5.346 4.968 10.580 1.00 9.00 C ATOM 741 O ALA A 46 6.202 5.836 10.884 1.00 11.15 O ATOM 742 CB ALA A 46 7.168 3.660 9.537 1.00 8.99 C ATOM 0 H ALA A 46 4.562 2.073 9.633 1.00 6.53 H new ATOM 0 HA ALA A 46 5.802 2.976 10.967 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.825 4.173 10.239 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.525 2.642 9.384 1.00 8.99 H new ATOM 0 HB3 ALA A 46 7.168 4.191 8.585 1.00 8.99 H new ATOM 748 N GLY A 47 4.041 5.117 10.705 1.00 9.35 N ATOM 749 CA GLY A 47 3.288 6.283 11.058 1.00 11.68 C ATOM 750 C GLY A 47 2.986 7.238 9.872 1.00 11.14 C ATOM 751 O GLY A 47 2.257 8.223 9.974 1.00 13.93 O ATOM 0 H GLY A 47 3.421 4.324 10.540 1.00 9.35 H new ATOM 0 HA2 GLY A 47 2.344 5.969 11.505 1.00 11.68 H new ATOM 0 HA3 GLY A 47 3.834 6.835 11.823 1.00 11.68 H new ATOM 755 N LYS A 48 3.523 6.985 8.745 1.00 10.47 N ATOM 756 CA LYS A 48 3.385 7.650 7.469 1.00 8.82 C ATOM 757 C LYS A 48 2.120 7.137 6.793 1.00 7.68 C ATOM 758 O LYS A 48 1.983 5.968 6.496 1.00 6.47 O ATOM 759 CB LYS A 48 4.657 7.576 6.538 1.00 9.74 C ATOM 760 CG LYS A 48 5.927 8.077 7.194 1.00 14.14 C ATOM 761 CD LYS A 48 6.012 9.608 7.395 1.00 16.32 C ATOM 762 CE LYS A 48 7.346 10.129 7.830 1.00 20.04 C ATOM 763 NZ LYS A 48 7.696 9.586 9.213 1.00 23.92 N ATOM 0 H LYS A 48 4.165 6.197 8.663 1.00 10.47 H new ATOM 0 HA LYS A 48 3.295 8.719 7.660 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.805 6.543 6.223 1.00 9.74 H new ATOM 0 HB3 LYS A 48 4.470 8.160 5.637 1.00 9.74 H new ATOM 0 HG2 LYS A 48 6.028 7.594 8.166 1.00 14.14 H new ATOM 0 HG3 LYS A 48 6.777 7.759 6.590 1.00 14.14 H new ATOM 0 HD2 LYS A 48 5.739 10.095 6.459 1.00 16.32 H new ATOM 0 HD3 LYS A 48 5.268 9.901 8.136 1.00 16.32 H new ATOM 0 HE2 LYS A 48 8.111 9.836 7.111 1.00 20.04 H new ATOM 0 HE3 LYS A 48 7.330 11.219 7.852 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 8.624 9.954 9.506 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 6.973 9.887 9.897 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 7.730 8.547 9.180 1.00 23.92 H new ATOM 777 N GLN A 49 1.174 8.050 6.515 1.00 8.89 N ATOM 778 CA GLN A 49 0.191 7.868 5.501 1.00 7.18 C ATOM 779 C GLN A 49 0.735 8.059 4.108 1.00 8.23 C ATOM 780 O GLN A 49 1.156 9.125 3.733 1.00 9.70 O ATOM 781 CB GLN A 49 -0.912 8.850 5.754 1.00 11.67 C ATOM 782 CG GLN A 49 -2.092 8.733 4.780 1.00 15.82 C ATOM 783 CD GLN A 49 -3.136 9.743 5.004 1.00 20.21 C ATOM 784 OE1 GLN A 49 -3.581 9.791 6.149 1.00 23.23 O ATOM 785 NE2 GLN A 49 -3.460 10.594 4.016 1.00 20.67 N ATOM 0 H GLN A 49 1.093 8.938 7.010 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.165 6.839 5.550 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.280 8.713 6.771 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -0.505 9.860 5.695 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -1.721 8.825 3.759 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.532 7.740 4.871 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -3.044 10.484 3.091 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -4.122 11.350 4.191 1.00 20.67 H new ATOM 794 N LEU A 50 0.817 6.983 3.373 1.00 6.51 N ATOM 795 CA LEU A 50 1.426 6.892 2.112 1.00 7.41 C ATOM 796 C LEU A 50 0.773 7.748 0.984 1.00 8.27 C ATOM 797 O LEU A 50 -0.458 7.874 0.885 1.00 8.34 O ATOM 798 CB LEU A 50 1.617 5.470 1.578 1.00 7.13 C ATOM 799 CG LEU A 50 2.300 4.538 2.509 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.576 3.172 1.779 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.632 5.052 2.966 1.00 9.11 C ATOM 0 H LEU A 50 0.425 6.093 3.680 1.00 6.51 H new ATOM 0 HA LEU A 50 2.403 7.315 2.345 1.00 7.41 H new ATOM 0 HB2 LEU A 50 0.640 5.058 1.327 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.190 5.519 0.652 1.00 7.13 H new ATOM 0 HG LEU A 50 1.640 4.426 3.369 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.078 2.488 2.464 1.00 8.14 H new ATOM 0 HD12 LEU A 50 1.631 2.734 1.457 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.211 3.346 0.910 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.087 4.331 3.645 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.281 5.198 2.103 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.497 6.002 3.483 1.00 9.11 H new ATOM 813 N GLU A 51 1.629 8.335 0.145 1.00 9.43 N ATOM 814 CA GLU A 51 1.211 9.303 -0.860 1.00 11.90 C ATOM 815 C GLU A 51 1.491 8.857 -2.236 1.00 11.49 C ATOM 816 O GLU A 51 2.658 8.553 -2.584 1.00 9.88 O ATOM 817 CB GLU A 51 1.726 10.743 -0.639 1.00 16.56 C ATOM 818 CG GLU A 51 0.922 11.767 -1.509 1.00 26.06 C ATOM 819 CD GLU A 51 1.176 13.245 -1.155 1.00 29.86 C ATOM 820 OE1 GLU A 51 2.294 13.789 -1.346 1.00 33.44 O ATOM 821 OE2 GLU A 51 0.224 13.897 -0.608 1.00 32.13 O ATOM 0 H GLU A 51 2.632 8.149 0.147 1.00 9.43 H new ATOM 0 HA GLU A 51 0.130 9.350 -0.725 1.00 11.90 H new ATOM 0 HB2 GLU A 51 1.637 11.007 0.415 1.00 16.56 H new ATOM 0 HB3 GLU A 51 2.785 10.797 -0.893 1.00 16.56 H new ATOM 0 HG2 GLU A 51 1.173 11.609 -2.558 1.00 26.06 H new ATOM 0 HG3 GLU A 51 -0.142 11.559 -1.402 1.00 26.06 H new ATOM 828 N ASP A 52 0.482 8.769 -3.079 1.00 12.71 N ATOM 829 CA ASP A 52 0.357 8.290 -4.418 1.00 16.56 C ATOM 830 C ASP A 52 1.496 8.563 -5.340 1.00 15.83 C ATOM 831 O ASP A 52 1.958 7.607 -5.990 1.00 17.21 O ATOM 832 CB ASP A 52 -0.952 8.753 -5.061 1.00 21.05 C ATOM 833 CG ASP A 52 -2.171 8.697 -4.242 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.107 9.209 -3.099 1.00 28.37 O ATOM 835 OD2 ASP A 52 -3.230 8.147 -4.703 1.00 25.82 O ATOM 0 H ASP A 52 -0.430 9.098 -2.763 1.00 12.71 H new ATOM 0 HA ASP A 52 0.362 7.208 -4.285 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.817 9.783 -5.393 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.119 8.150 -5.954 1.00 21.05 H new ATOM 840 N GLY A 53 1.990 9.788 -5.407 1.00 15.00 N ATOM 841 CA GLY A 53 3.003 10.293 -6.365 1.00 11.77 C ATOM 842 C GLY A 53 4.393 10.210 -5.870 1.00 11.10 C ATOM 843 O GLY A 53 5.310 10.877 -6.339 1.00 11.25 O ATOM 0 H GLY A 53 1.686 10.515 -4.760 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.924 9.727 -7.293 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.775 11.332 -6.605 1.00 11.77 H new ATOM 847 N ARG A 54 4.580 9.586 -4.690 1.00 8.53 N ATOM 848 CA ARG A 54 5.881 9.216 -4.127 1.00 9.05 C ATOM 849 C ARG A 54 6.155 7.712 -4.141 1.00 8.96 C ATOM 850 O ARG A 54 5.271 6.930 -4.428 1.00 11.60 O ATOM 851 CB ARG A 54 6.020 9.635 -2.617 1.00 7.97 C ATOM 852 CG ARG A 54 5.461 11.067 -2.305 1.00 9.62 C ATOM 853 CD ARG A 54 5.836 11.458 -0.904 1.00 12.20 C ATOM 854 NE ARG A 54 4.903 12.486 -0.469 1.00 18.23 N ATOM 855 CZ ARG A 54 4.891 13.007 0.745 1.00 22.08 C ATOM 856 NH1 ARG A 54 5.808 12.811 1.660 1.00 25.50 N ATOM 857 NH2 ARG A 54 3.929 13.889 1.020 1.00 23.38 N ATOM 0 H ARG A 54 3.801 9.320 -4.088 1.00 8.53 H new ATOM 0 HA ARG A 54 6.585 9.744 -4.770 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.496 8.907 -1.998 1.00 7.97 H new ATOM 0 HB3 ARG A 54 7.072 9.596 -2.334 1.00 7.97 H new ATOM 0 HG2 ARG A 54 5.864 11.789 -3.015 1.00 9.62 H new ATOM 0 HG3 ARG A 54 4.377 11.079 -2.419 1.00 9.62 H new ATOM 0 HD2 ARG A 54 5.791 10.594 -0.240 1.00 12.20 H new ATOM 0 HD3 ARG A 54 6.860 11.831 -0.872 1.00 12.20 H new ATOM 0 HE ARG A 54 4.216 12.825 -1.142 1.00 18.23 H new ATOM 0 HH11 ARG A 54 6.611 12.215 1.458 1.00 25.50 H new ATOM 0 HH12 ARG A 54 5.719 13.254 2.574 1.00 25.50 H new ATOM 0 HH21 ARG A 54 3.243 14.135 0.306 1.00 23.38 H new ATOM 0 HH22 ARG A 54 3.879 14.318 1.944 1.00 23.38 H new ATOM 871 N THR A 55 7.399 7.356 -3.938 1.00 9.05 N ATOM 872 CA THR A 55 7.928 6.025 -4.142 1.00 9.03 C ATOM 873 C THR A 55 8.218 5.297 -2.854 1.00 8.15 C ATOM 874 O THR A 55 8.290 5.852 -1.763 1.00 5.91 O ATOM 875 CB THR A 55 9.192 5.974 -4.983 1.00 11.15 C ATOM 876 OG1 THR A 55 10.379 6.389 -4.388 1.00 11.95 O ATOM 877 CG2 THR A 55 9.107 6.728 -6.302 1.00 11.71 C ATOM 0 H THR A 55 8.105 8.015 -3.611 1.00 9.05 H new ATOM 0 HA THR A 55 7.121 5.531 -4.683 1.00 9.03 H new ATOM 0 HB THR A 55 9.237 4.895 -5.132 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.182 7.049 -3.690 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.054 6.637 -6.835 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.306 6.308 -6.910 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.900 7.780 -6.107 1.00 11.71 H new ATOM 885 N LEU A 56 8.421 3.991 -2.855 1.00 6.91 N ATOM 886 CA LEU A 56 8.807 3.220 -1.731 1.00 8.29 C ATOM 887 C LEU A 56 10.064 3.585 -0.970 1.00 8.05 C ATOM 888 O LEU A 56 10.047 3.631 0.265 1.00 10.17 O ATOM 889 CB LEU A 56 8.811 1.704 -2.102 1.00 6.60 C ATOM 890 CG LEU A 56 7.407 1.082 -2.363 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.511 -0.296 -2.953 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.557 0.975 -1.135 1.00 8.64 C ATOM 0 H LEU A 56 8.309 3.427 -3.698 1.00 6.91 H new ATOM 0 HA LEU A 56 8.036 3.476 -1.004 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.423 1.566 -2.993 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.292 1.150 -1.296 1.00 6.60 H new ATOM 0 HG LEU A 56 6.934 1.773 -3.061 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.511 -0.696 -3.121 1.00 9.85 H new ATOM 0 HD12 LEU A 56 8.046 -0.246 -3.902 1.00 9.85 H new ATOM 0 HD13 LEU A 56 8.052 -0.946 -2.265 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.595 0.533 -1.396 1.00 8.64 H new ATOM 0 HD22 LEU A 56 7.058 0.346 -0.399 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.398 1.968 -0.715 1.00 8.64 H new ATOM 904 N SER A 57 11.165 3.912 -1.667 1.00 8.92 N ATOM 905 CA SER A 57 12.362 4.409 -1.024 1.00 9.00 C ATOM 906 C SER A 57 12.261 5.716 -0.291 1.00 9.44 C ATOM 907 O SER A 57 12.984 5.858 0.696 1.00 10.91 O ATOM 908 CB SER A 57 13.678 4.418 -1.957 1.00 10.32 C ATOM 909 OG SER A 57 13.604 5.335 -3.052 1.00 13.59 O ATOM 0 H SER A 57 11.236 3.835 -2.682 1.00 8.92 H new ATOM 0 HA SER A 57 12.475 3.644 -0.256 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.544 4.668 -1.344 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.842 3.414 -2.347 1.00 10.32 H new ATOM 0 HG SER A 57 14.433 5.290 -3.573 1.00 13.59 H new ATOM 915 N ASP A 58 11.312 6.609 -0.641 1.00 9.11 N ATOM 916 CA ASP A 58 11.006 7.855 0.061 1.00 7.91 C ATOM 917 C ASP A 58 10.471 7.672 1.458 1.00 9.12 C ATOM 918 O ASP A 58 10.704 8.566 2.308 1.00 8.61 O ATOM 919 CB ASP A 58 9.907 8.685 -0.745 1.00 8.41 C ATOM 920 CG ASP A 58 10.436 9.035 -2.090 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.513 9.686 -2.117 1.00 10.05 O ATOM 922 OD2 ASP A 58 9.818 8.683 -3.178 1.00 11.70 O ATOM 0 H ASP A 58 10.717 6.467 -1.457 1.00 9.11 H new ATOM 0 HA ASP A 58 11.962 8.374 0.128 1.00 7.91 H new ATOM 0 HB2 ASP A 58 8.993 8.099 -0.843 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.647 9.591 -0.198 1.00 8.41 H new ATOM 927 N TYR A 59 9.763 6.585 1.662 1.00 7.97 N ATOM 928 CA TYR A 59 9.168 6.264 2.897 1.00 8.45 C ATOM 929 C TYR A 59 9.995 5.214 3.650 1.00 10.98 C ATOM 930 O TYR A 59 9.583 4.761 4.685 1.00 12.95 O ATOM 931 CB TYR A 59 7.810 5.702 2.634 1.00 7.94 C ATOM 932 CG TYR A 59 6.886 6.851 2.348 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.518 7.731 3.345 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.282 6.897 1.096 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.520 8.688 3.168 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.282 7.847 0.881 1.00 6.52 C ATOM 937 CZ TYR A 59 4.935 8.783 1.892 1.00 6.76 C ATOM 938 OH TYR A 59 3.923 9.641 1.676 1.00 7.63 O ATOM 0 H TYR A 59 9.592 5.890 0.935 1.00 7.97 H new ATOM 0 HA TYR A 59 9.112 7.166 3.506 1.00 8.45 H new ATOM 0 HB2 TYR A 59 7.838 5.015 1.789 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.458 5.134 3.495 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.022 7.676 4.299 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.579 6.216 0.312 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.208 9.331 3.978 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.765 7.871 -0.067 1.00 6.52 H new ATOM 0 HH TYR A 59 3.946 9.946 0.745 1.00 7.63 H new ATOM 948 N ASN A 60 11.232 4.827 3.186 1.00 12.38 N ATOM 949 CA ASN A 60 12.042 3.866 3.887 1.00 13.94 C ATOM 950 C ASN A 60 11.440 2.475 3.950 1.00 14.16 C ATOM 951 O ASN A 60 11.362 1.844 5.034 1.00 14.26 O ATOM 952 CB ASN A 60 12.678 4.376 5.237 1.00 19.23 C ATOM 953 CG ASN A 60 13.947 3.680 5.691 1.00 22.65 C ATOM 954 OD1 ASN A 60 14.510 2.904 4.917 1.00 25.45 O ATOM 955 ND2 ASN A 60 14.510 4.071 6.856 1.00 24.09 N ATOM 0 H ASN A 60 11.654 5.186 2.330 1.00 12.38 H new ATOM 0 HA ASN A 60 12.914 3.750 3.244 1.00 13.94 H new ATOM 0 HB2 ASN A 60 12.890 5.440 5.134 1.00 19.23 H new ATOM 0 HB3 ASN A 60 11.932 4.275 6.025 1.00 19.23 H new ATOM 0 HD21 ASN A 60 15.431 3.722 7.120 1.00 24.09 H new ATOM 0 HD22 ASN A 60 14.013 4.715 7.472 1.00 24.09 H new ATOM 962 N ILE A 61 10.924 2.011 2.819 1.00 11.08 N ATOM 963 CA ILE A 61 10.207 0.772 2.832 1.00 11.78 C ATOM 964 C ILE A 61 11.115 -0.310 2.287 1.00 13.74 C ATOM 965 O ILE A 61 11.391 -0.397 1.095 1.00 14.60 O ATOM 966 CB ILE A 61 8.814 0.874 2.135 1.00 11.80 C ATOM 967 CG1 ILE A 61 7.932 2.013 2.669 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.244 -0.563 2.454 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.452 2.052 2.407 1.00 11.42 C ATOM 0 H ILE A 61 10.993 2.470 1.911 1.00 11.08 H new ATOM 0 HA ILE A 61 9.946 0.501 3.855 1.00 11.78 H new ATOM 0 HB ILE A 61 8.860 1.123 1.075 1.00 11.80 H new ATOM 0 HG12 ILE A 61 8.062 2.033 3.751 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.347 2.943 2.280 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.247 -0.662 2.025 1.00 13.29 H new ATOM 0 HG22 ILE A 61 8.901 -1.319 2.023 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.190 -0.702 3.534 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.023 2.939 2.873 1.00 11.42 H new ATOM 0 HD12 ILE A 61 6.273 2.084 1.332 1.00 11.42 H new ATOM 0 HD13 ILE A 61 5.985 1.161 2.826 1.00 11.42 H new ATOM 981 N GLN A 62 11.647 -1.101 3.217 1.00 13.97 N ATOM 982 CA GLN A 62 12.619 -2.167 2.948 1.00 15.52 C ATOM 983 C GLN A 62 11.861 -3.470 2.662 1.00 13.94 C ATOM 984 O GLN A 62 10.664 -3.616 2.872 1.00 12.15 O ATOM 985 CB GLN A 62 13.521 -2.289 4.113 1.00 19.53 C ATOM 986 CG GLN A 62 14.248 -0.992 4.475 1.00 26.38 C ATOM 987 CD GLN A 62 15.268 -0.555 3.403 1.00 30.61 C ATOM 988 OE1 GLN A 62 16.030 -1.292 2.840 1.00 33.23 O ATOM 989 NE2 GLN A 62 15.153 0.754 3.099 1.00 32.71 N ATOM 0 H GLN A 62 11.410 -1.019 4.206 1.00 13.97 H new ATOM 0 HA GLN A 62 13.228 -1.938 2.073 1.00 15.52 H new ATOM 0 HB2 GLN A 62 12.942 -2.622 4.975 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.261 -3.063 3.908 1.00 19.53 H new ATOM 0 HG2 GLN A 62 13.515 -0.198 4.616 1.00 26.38 H new ATOM 0 HG3 GLN A 62 14.763 -1.124 5.427 1.00 26.38 H new ATOM 0 HE21 GLN A 62 14.490 1.339 3.607 1.00 32.71 H new ATOM 0 HE22 GLN A 62 15.729 1.159 2.361 1.00 32.71 H new ATOM 998 N LYS A 63 12.531 -4.475 2.119 1.00 11.73 N ATOM 999 CA LYS A 63 12.081 -5.839 1.967 1.00 11.97 C ATOM 1000 C LYS A 63 11.339 -6.421 3.194 1.00 10.41 C ATOM 1001 O LYS A 63 11.514 -5.986 4.372 1.00 9.59 O ATOM 1002 CB LYS A 63 13.271 -6.805 1.703 1.00 13.73 C ATOM 1003 CG LYS A 63 14.323 -6.866 2.820 1.00 16.98 C ATOM 1004 CD LYS A 63 15.554 -7.675 2.357 1.00 20.19 C ATOM 1005 CE LYS A 63 16.846 -7.229 3.120 1.00 23.42 C ATOM 1006 NZ LYS A 63 17.254 -5.912 2.730 1.00 25.97 N ATOM 0 H LYS A 63 13.472 -4.342 1.748 1.00 11.73 H new ATOM 0 HA LYS A 63 11.391 -5.778 1.125 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.875 -7.808 1.543 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.763 -6.505 0.778 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.627 -5.857 3.098 1.00 16.98 H new ATOM 0 HG3 LYS A 63 13.892 -7.325 3.710 1.00 16.98 H new ATOM 0 HD2 LYS A 63 15.378 -8.737 2.525 1.00 20.19 H new ATOM 0 HD3 LYS A 63 15.698 -7.541 1.285 1.00 20.19 H new ATOM 0 HE2 LYS A 63 16.662 -7.252 4.194 1.00 23.42 H new ATOM 0 HE3 LYS A 63 17.651 -7.936 2.919 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 18.260 -5.779 2.956 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 17.111 -5.793 1.707 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 16.688 -5.207 3.243 1.00 25.97 H new ATOM 1020 N GLU A 64 10.368 -7.309 2.902 1.00 10.04 N ATOM 1021 CA GLU A 64 9.516 -8.042 3.862 1.00 10.94 C ATOM 1022 C GLU A 64 8.733 -7.213 4.825 1.00 9.74 C ATOM 1023 O GLU A 64 8.277 -7.658 5.882 1.00 9.42 O ATOM 1024 CB GLU A 64 10.345 -9.122 4.563 1.00 18.31 C ATOM 1025 CG GLU A 64 10.952 -10.274 3.666 1.00 24.16 C ATOM 1026 CD GLU A 64 11.810 -11.164 4.495 1.00 29.00 C ATOM 1027 OE1 GLU A 64 11.304 -11.760 5.442 1.00 31.72 O ATOM 1028 OE2 GLU A 64 13.014 -11.344 4.178 1.00 32.61 O ATOM 0 H GLU A 64 10.144 -7.548 1.936 1.00 10.04 H new ATOM 0 HA GLU A 64 8.730 -8.500 3.261 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.168 -8.630 5.081 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.719 -9.584 5.326 1.00 18.31 H new ATOM 0 HG2 GLU A 64 10.149 -10.852 3.209 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.538 -9.844 2.854 1.00 24.16 H new ATOM 1035 N SER A 65 8.646 -5.872 4.591 1.00 6.85 N ATOM 1036 CA SER A 65 7.865 -4.949 5.388 1.00 6.90 C ATOM 1037 C SER A 65 6.358 -5.225 5.426 1.00 4.72 C ATOM 1038 O SER A 65 5.801 -5.805 4.499 1.00 3.91 O ATOM 1039 CB SER A 65 8.063 -3.478 4.949 1.00 7.28 C ATOM 1040 OG SER A 65 9.309 -2.881 5.170 1.00 10.56 O ATOM 0 H SER A 65 9.137 -5.418 3.821 1.00 6.85 H new ATOM 0 HA SER A 65 8.257 -5.114 6.392 1.00 6.90 H new ATOM 0 HB2 SER A 65 7.851 -3.418 3.882 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.311 -2.875 5.458 1.00 7.28 H new ATOM 0 HG SER A 65 9.901 -3.070 4.412 1.00 10.56 H new ATOM 1046 N THR A 66 5.730 -4.776 6.525 1.00 4.48 N ATOM 1047 CA THR A 66 4.319 -4.988 6.609 1.00 3.80 C ATOM 1048 C THR A 66 3.725 -3.653 6.524 1.00 4.60 C ATOM 1049 O THR A 66 4.045 -2.733 7.296 1.00 5.33 O ATOM 1050 CB THR A 66 3.808 -5.772 7.827 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.252 -7.138 7.678 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.244 -5.806 7.888 1.00 3.40 C ATOM 0 H THR A 66 6.165 -4.295 7.312 1.00 4.48 H new ATOM 0 HA THR A 66 4.020 -5.649 5.796 1.00 3.80 H new ATOM 0 HB THR A 66 4.186 -5.291 8.729 1.00 2.85 H new ATOM 0 HG1 THR A 66 3.943 -7.668 8.442 1.00 2.15 H new ATOM 0 HG21 THR A 66 1.926 -6.370 8.765 1.00 3.40 H new ATOM 0 HG22 THR A 66 1.860 -4.788 7.953 1.00 3.40 H new ATOM 0 HG23 THR A 66 1.855 -6.283 6.989 1.00 3.40 H new ATOM 1060 N LEU A 67 2.825 -3.388 5.541 1.00 4.17 N ATOM 1061 CA LEU A 67 2.074 -2.176 5.453 1.00 3.85 C ATOM 1062 C LEU A 67 0.625 -2.409 5.830 1.00 3.80 C ATOM 1063 O LEU A 67 -0.023 -3.422 5.506 1.00 5.54 O ATOM 1064 CB LEU A 67 2.101 -1.488 3.969 1.00 7.18 C ATOM 1065 CG LEU A 67 3.423 -1.658 3.141 1.00 9.67 C ATOM 1066 CD1 LEU A 67 3.271 -0.855 1.847 1.00 8.12 C ATOM 1067 CD2 LEU A 67 4.693 -1.064 3.824 1.00 11.66 C ATOM 0 H LEU A 67 2.621 -4.045 4.788 1.00 4.17 H new ATOM 0 HA LEU A 67 2.559 -1.495 6.152 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.278 -1.902 3.386 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.905 -0.422 4.084 1.00 7.18 H new ATOM 0 HG LEU A 67 3.558 -2.732 3.014 1.00 9.67 H new ATOM 0 HD11 LEU A 67 4.177 -0.954 1.249 1.00 8.12 H new ATOM 0 HD12 LEU A 67 2.420 -1.234 1.282 1.00 8.12 H new ATOM 0 HD13 LEU A 67 3.108 0.196 2.088 1.00 8.12 H new ATOM 0 HD21 LEU A 67 5.560 -1.226 3.183 1.00 11.66 H new ATOM 0 HD22 LEU A 67 4.554 0.005 3.984 1.00 11.66 H new ATOM 0 HD23 LEU A 67 4.854 -1.556 4.783 1.00 11.66 H new ATOM 1079 N HIS A 68 -0.011 -1.419 6.506 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.398 -1.561 6.986 1.00 4.17 C ATOM 1081 C HIS A 68 -2.370 -0.968 5.921 1.00 5.32 C ATOM 1082 O HIS A 68 -2.037 0.001 5.215 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.686 -0.842 8.334 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.705 -1.134 9.346 1.00 9.95 C ATOM 1085 ND1 HIS A 68 -0.704 -2.317 10.006 1.00 13.74 N ATOM 1086 CD2 HIS A 68 0.399 -0.447 9.804 1.00 12.79 C ATOM 1087 CE1 HIS A 68 0.415 -2.356 10.809 1.00 14.75 C ATOM 1088 NE2 HIS A 68 1.063 -1.242 10.733 1.00 16.30 N ATOM 0 H HIS A 68 0.417 -0.520 6.727 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.548 -2.629 7.147 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.718 0.235 8.166 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.671 -1.138 8.694 1.00 5.57 H new ATOM 0 HD2 HIS A 68 0.699 0.543 9.494 1.00 12.79 H new ATOM 0 HE1 HIS A 68 0.709 -3.199 11.416 1.00 14.75 H new ATOM 0 HE2 HIS A 68 1.903 -0.992 11.255 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.539 -1.657 5.736 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.489 -1.189 4.712 1.00 3.97 C ATOM 1098 C LEU A 69 -5.797 -0.847 5.385 1.00 5.07 C ATOM 1099 O LEU A 69 -6.351 -1.640 6.200 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.767 -2.401 3.735 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.886 -2.203 2.722 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.626 -1.075 1.754 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -6.215 -3.496 1.929 1.00 9.96 C ATOM 0 H LEU A 69 -3.822 -2.488 6.255 1.00 5.29 H new ATOM 0 HA LEU A 69 -4.088 -0.323 4.184 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.848 -2.621 3.192 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -5.000 -3.280 4.336 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.751 -1.935 3.328 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.463 -0.990 1.061 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.515 -0.141 2.305 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.712 -1.278 1.196 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -7.020 -3.294 1.222 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -5.329 -3.825 1.386 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.527 -4.278 2.621 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.249 0.438 5.270 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.424 0.982 5.846 1.00 6.26 C ATOM 1117 C VAL A 70 -8.432 1.333 4.814 1.00 9.22 C ATOM 1118 O VAL A 70 -8.295 2.387 4.148 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.149 2.058 6.860 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -8.385 2.254 7.825 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -5.937 1.667 7.764 1.00 8.54 C ATOM 0 H VAL A 70 -5.736 1.132 4.727 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.886 0.193 6.439 1.00 6.26 H new ATOM 0 HB VAL A 70 -6.944 2.971 6.301 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -8.161 3.037 8.549 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -9.261 2.539 7.242 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -8.587 1.321 8.351 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -5.755 2.459 8.491 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -6.159 0.737 8.288 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -5.050 1.531 7.145 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.510 0.515 4.688 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.437 0.770 3.612 1.00 16.06 C ATOM 1133 C LEU A 71 -11.505 1.726 4.090 1.00 18.09 C ATOM 1134 O LEU A 71 -12.028 1.484 5.138 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.095 -0.508 3.230 1.00 17.10 C ATOM 1136 CG LEU A 71 -10.176 -1.504 2.589 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -10.996 -2.620 1.925 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -9.167 -0.912 1.616 1.00 19.57 C ATOM 0 H LEU A 71 -9.731 -0.277 5.292 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.902 1.195 2.763 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.536 -0.957 4.120 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.914 -0.291 2.544 1.00 17.10 H new ATOM 0 HG LEU A 71 -9.569 -1.914 3.397 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -10.322 -3.340 1.461 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -11.602 -3.123 2.678 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -11.647 -2.190 1.164 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -8.548 -1.709 1.204 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -9.695 -0.408 0.807 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -8.535 -0.195 2.139 1.00 19.57 H new