USER MOD reduce.3.24.130724 H: found=0, std=0, add=478, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 478 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 27 MET CE :methyl -161:sc= -2.25 (180deg=-2.98!) USER MOD Set 1.2: A 42 CYS SG : rot 32:sc= -1.15 USER MOD Set 1.3: A 54 LYS NZ :NH3+ 145:sc= 0.00449 (180deg=-0.13) USER MOD Set 2.1: A 3 HIS : no HD1:sc= -0.661 X(o=-2,f=-2.3) USER MOD Set 2.2: A 32 LYS NZ :NH3+ 158:sc= -1.34 (180deg=-1.12) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= -3.67! C(o=-3.7!,f=-5.9!) USER MOD Single : A 7 THR OG1 : rot 161:sc= 0.673 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 48:sc= 0.808 USER MOD Single : A 15 THR OG1 : rot 171:sc= -0.153 USER MOD Single : A 20 ASN : amide:sc= -0.638 X(o=-0.64,f=-0.15) USER MOD Single : A 23 LYS NZ :NH3+ -125:sc= -1.08 (180deg=-2.31!) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -1.14 K(o=-1.1,f=-4.5!) USER MOD Single : A 41 LYS NZ :NH3+ -169:sc= -1.24 (180deg=-1.66!) USER MOD Single : A 43 LYS NZ :NH3+ 167:sc= -0.072 (180deg=-0.479) USER MOD Single : A 44 ASN : amide:sc= -5.81! C(o=-5.8!,f=-10!) USER MOD Single : A 48 GLN : amide:sc= -0.552 K(o=-0.55,f=-1.3) USER MOD Single : A 55 ASN : amide:sc= 0.668 K(o=0.67,f=0) USER MOD Single : A 56 TYR OH : rot 130:sc= -0.943 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 15.474 -7.255 2.714 1.00 0.00 N ATOM 2 CA GLY A 1 15.678 -7.343 1.241 1.00 0.00 C ATOM 3 C GLY A 1 14.508 -6.778 0.460 1.00 0.00 C ATOM 4 O GLY A 1 14.690 -5.941 -0.424 1.00 0.00 O ATOM 0 H1 GLY A 1 16.301 -7.654 3.203 1.00 0.00 H new ATOM 0 H2 GLY A 1 15.356 -6.259 2.989 1.00 0.00 H new ATOM 0 H3 GLY A 1 14.623 -7.791 2.979 1.00 0.00 H new ATOM 0 HA2 GLY A 1 16.586 -6.804 0.970 1.00 0.00 H new ATOM 0 HA3 GLY A 1 15.830 -8.385 0.960 1.00 0.00 H new ATOM 10 N SER A 2 13.304 -7.236 0.788 1.00 0.00 N ATOM 11 CA SER A 2 12.100 -6.769 0.111 1.00 0.00 C ATOM 12 C SER A 2 11.312 -5.817 0.999 1.00 0.00 C ATOM 13 O SER A 2 10.931 -6.167 2.115 1.00 0.00 O ATOM 14 CB SER A 2 11.213 -7.955 -0.284 1.00 0.00 C ATOM 15 OG SER A 2 11.291 -8.209 -1.676 1.00 0.00 O ATOM 0 H SER A 2 13.137 -7.929 1.517 1.00 0.00 H new ATOM 0 HA SER A 2 12.408 -6.236 -0.788 1.00 0.00 H new ATOM 0 HB2 SER A 2 11.520 -8.843 0.269 1.00 0.00 H new ATOM 0 HB3 SER A 2 10.179 -7.749 -0.006 1.00 0.00 H new ATOM 0 HG SER A 2 10.718 -8.971 -1.902 1.00 0.00 H new ATOM 21 N HIS A 3 11.050 -4.618 0.491 1.00 0.00 N ATOM 22 CA HIS A 3 10.282 -3.634 1.246 1.00 0.00 C ATOM 23 C HIS A 3 8.802 -3.941 1.113 1.00 0.00 C ATOM 24 O HIS A 3 8.256 -3.960 0.010 1.00 0.00 O ATOM 25 CB HIS A 3 10.565 -2.199 0.782 1.00 0.00 C ATOM 26 CG HIS A 3 11.237 -2.095 -0.554 1.00 0.00 C ATOM 27 ND1 HIS A 3 10.598 -2.379 -1.743 1.00 0.00 N ATOM 28 CD2 HIS A 3 12.500 -1.733 -0.885 1.00 0.00 C ATOM 29 CE1 HIS A 3 11.439 -2.198 -2.746 1.00 0.00 C ATOM 30 NE2 HIS A 3 12.598 -1.805 -2.252 1.00 0.00 N ATOM 0 H HIS A 3 11.354 -4.306 -0.431 1.00 0.00 H new ATOM 0 HA HIS A 3 10.586 -3.701 2.290 1.00 0.00 H new ATOM 0 HB2 HIS A 3 9.623 -1.651 0.744 1.00 0.00 H new ATOM 0 HB3 HIS A 3 11.190 -1.707 1.527 1.00 0.00 H new ATOM 0 HD2 HIS A 3 13.283 -1.442 -0.201 1.00 0.00 H new ATOM 0 HE1 HIS A 3 11.216 -2.346 -3.792 1.00 0.00 H new ATOM 0 HE2 HIS A 3 13.432 -1.590 -2.798 1.00 0.00 H new ATOM 39 N VAL A 4 8.159 -4.202 2.241 1.00 0.00 N ATOM 40 CA VAL A 4 6.745 -4.535 2.240 1.00 0.00 C ATOM 41 C VAL A 4 5.975 -3.668 3.224 1.00 0.00 C ATOM 42 O VAL A 4 6.558 -3.003 4.074 1.00 0.00 O ATOM 43 CB VAL A 4 6.515 -6.021 2.595 1.00 0.00 C ATOM 44 CG1 VAL A 4 5.594 -6.678 1.580 1.00 0.00 C ATOM 45 CG2 VAL A 4 7.835 -6.778 2.683 1.00 0.00 C ATOM 0 H VAL A 4 8.592 -4.190 3.164 1.00 0.00 H new ATOM 0 HA VAL A 4 6.379 -4.348 1.230 1.00 0.00 H new ATOM 0 HB VAL A 4 6.038 -6.059 3.574 1.00 0.00 H new ATOM 0 HG11 VAL A 4 5.445 -7.724 1.848 1.00 0.00 H new ATOM 0 HG12 VAL A 4 4.633 -6.164 1.575 1.00 0.00 H new ATOM 0 HG13 VAL A 4 6.043 -6.618 0.589 1.00 0.00 H new ATOM 0 HG21 VAL A 4 7.640 -7.821 2.934 1.00 0.00 H new ATOM 0 HG22 VAL A 4 8.349 -6.726 1.723 1.00 0.00 H new ATOM 0 HG23 VAL A 4 8.461 -6.330 3.455 1.00 0.00 H new ATOM 55 N VAL A 5 4.658 -3.692 3.105 1.00 0.00 N ATOM 56 CA VAL A 5 3.794 -2.924 3.989 1.00 0.00 C ATOM 57 C VAL A 5 2.625 -3.780 4.454 1.00 0.00 C ATOM 58 O VAL A 5 2.306 -4.800 3.845 1.00 0.00 O ATOM 59 CB VAL A 5 3.331 -1.591 3.339 1.00 0.00 C ATOM 60 CG1 VAL A 5 3.494 -1.619 1.830 1.00 0.00 C ATOM 61 CG2 VAL A 5 1.907 -1.192 3.714 1.00 0.00 C ATOM 0 H VAL A 5 4.161 -4.238 2.401 1.00 0.00 H new ATOM 0 HA VAL A 5 4.371 -2.640 4.869 1.00 0.00 H new ATOM 0 HB VAL A 5 3.989 -0.825 3.750 1.00 0.00 H new ATOM 0 HG11 VAL A 5 3.160 -0.670 1.410 1.00 0.00 H new ATOM 0 HG12 VAL A 5 4.543 -1.777 1.580 1.00 0.00 H new ATOM 0 HG13 VAL A 5 2.896 -2.430 1.414 1.00 0.00 H new ATOM 0 HG21 VAL A 5 1.652 -0.252 3.224 1.00 0.00 H new ATOM 0 HG22 VAL A 5 1.214 -1.969 3.391 1.00 0.00 H new ATOM 0 HG23 VAL A 5 1.836 -1.069 4.795 1.00 0.00 H new ATOM 71 N GLN A 6 2.020 -3.390 5.558 1.00 0.00 N ATOM 72 CA GLN A 6 0.918 -4.162 6.121 1.00 0.00 C ATOM 73 C GLN A 6 -0.250 -3.275 6.524 1.00 0.00 C ATOM 74 O GLN A 6 -0.059 -2.189 7.071 1.00 0.00 O ATOM 75 CB GLN A 6 1.415 -4.955 7.331 1.00 0.00 C ATOM 76 CG GLN A 6 0.974 -6.409 7.324 1.00 0.00 C ATOM 77 CD GLN A 6 1.986 -7.328 7.979 1.00 0.00 C ATOM 78 OE1 GLN A 6 2.544 -8.217 7.337 1.00 0.00 O ATOM 79 NE2 GLN A 6 2.227 -7.116 9.268 1.00 0.00 N ATOM 0 H GLN A 6 2.266 -2.551 6.083 1.00 0.00 H new ATOM 0 HA GLN A 6 0.559 -4.845 5.351 1.00 0.00 H new ATOM 0 HB2 GLN A 6 2.504 -4.914 7.360 1.00 0.00 H new ATOM 0 HB3 GLN A 6 1.053 -4.478 8.242 1.00 0.00 H new ATOM 0 HG2 GLN A 6 0.019 -6.498 7.842 1.00 0.00 H new ATOM 0 HG3 GLN A 6 0.809 -6.730 6.295 1.00 0.00 H new ATOM 0 HE21 GLN A 6 1.741 -6.367 9.761 1.00 0.00 H new ATOM 0 HE22 GLN A 6 2.898 -7.702 9.765 1.00 0.00 H new ATOM 88 N THR A 7 -1.467 -3.749 6.259 1.00 0.00 N ATOM 89 CA THR A 7 -2.661 -2.994 6.608 1.00 0.00 C ATOM 90 C THR A 7 -3.430 -3.674 7.728 1.00 0.00 C ATOM 91 O THR A 7 -3.185 -4.835 8.056 1.00 0.00 O ATOM 92 CB THR A 7 -3.560 -2.801 5.389 1.00 0.00 C ATOM 93 OG1 THR A 7 -3.036 -3.487 4.267 1.00 0.00 O ATOM 94 CG2 THR A 7 -3.730 -1.348 4.998 1.00 0.00 C ATOM 0 H THR A 7 -1.647 -4.646 5.807 1.00 0.00 H new ATOM 0 HA THR A 7 -2.341 -2.013 6.959 1.00 0.00 H new ATOM 0 HB THR A 7 -4.532 -3.201 5.679 1.00 0.00 H new ATOM 0 HG1 THR A 7 -3.744 -3.615 3.602 1.00 0.00 H new ATOM 0 HG21 THR A 7 -4.380 -1.280 4.125 1.00 0.00 H new ATOM 0 HG22 THR A 7 -4.176 -0.798 5.827 1.00 0.00 H new ATOM 0 HG23 THR A 7 -2.757 -0.919 4.760 1.00 0.00 H new ATOM 102 N LEU A 8 -4.352 -2.931 8.317 1.00 0.00 N ATOM 103 CA LEU A 8 -5.160 -3.437 9.414 1.00 0.00 C ATOM 104 C LEU A 8 -6.646 -3.354 9.071 1.00 0.00 C ATOM 105 O LEU A 8 -7.443 -4.182 9.514 1.00 0.00 O ATOM 106 CB LEU A 8 -4.872 -2.658 10.709 1.00 0.00 C ATOM 107 CG LEU A 8 -3.908 -1.472 10.595 1.00 0.00 C ATOM 108 CD1 LEU A 8 -2.553 -1.918 10.064 1.00 0.00 C ATOM 109 CD2 LEU A 8 -4.507 -0.382 9.719 1.00 0.00 C ATOM 0 H LEU A 8 -4.560 -1.969 8.051 1.00 0.00 H new ATOM 0 HA LEU A 8 -4.896 -4.483 9.572 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -5.819 -2.291 11.104 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -4.469 -3.355 11.444 1.00 0.00 H new ATOM 0 HG LEU A 8 -3.753 -1.061 11.592 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -1.889 -1.057 9.993 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -2.121 -2.655 10.742 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -2.678 -2.362 9.077 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -3.809 0.453 9.649 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -4.698 -0.780 8.722 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -5.443 -0.036 10.157 1.00 0.00 H new ATOM 121 N TYR A 9 -7.009 -2.350 8.279 1.00 0.00 N ATOM 122 CA TYR A 9 -8.395 -2.156 7.872 1.00 0.00 C ATOM 123 C TYR A 9 -8.504 -2.092 6.349 1.00 0.00 C ATOM 124 O TYR A 9 -7.510 -1.865 5.660 1.00 0.00 O ATOM 125 CB TYR A 9 -8.952 -0.875 8.496 1.00 0.00 C ATOM 126 CG TYR A 9 -8.679 -0.757 9.978 1.00 0.00 C ATOM 127 CD1 TYR A 9 -9.318 -1.588 10.890 1.00 0.00 C ATOM 128 CD2 TYR A 9 -7.782 0.185 10.467 1.00 0.00 C ATOM 129 CE1 TYR A 9 -9.072 -1.484 12.245 1.00 0.00 C ATOM 130 CE2 TYR A 9 -7.529 0.295 11.821 1.00 0.00 C ATOM 131 CZ TYR A 9 -8.177 -0.542 12.705 1.00 0.00 C ATOM 132 OH TYR A 9 -7.927 -0.435 14.054 1.00 0.00 O ATOM 0 H TYR A 9 -6.360 -1.657 7.906 1.00 0.00 H new ATOM 0 HA TYR A 9 -8.981 -3.005 8.224 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -8.520 -0.014 7.986 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -10.028 -0.837 8.329 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -10.019 -2.328 10.533 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -7.274 0.842 9.777 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -9.578 -2.137 12.940 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -6.828 1.032 12.185 1.00 0.00 H new ATOM 0 HH TYR A 9 -7.271 0.276 14.210 1.00 0.00 H new ATOM 142 N PRO A 10 -9.715 -2.297 5.800 1.00 0.00 N ATOM 143 CA PRO A 10 -9.943 -2.265 4.352 1.00 0.00 C ATOM 144 C PRO A 10 -9.239 -1.093 3.673 1.00 0.00 C ATOM 145 O PRO A 10 -9.015 -0.049 4.284 1.00 0.00 O ATOM 146 CB PRO A 10 -11.458 -2.118 4.247 1.00 0.00 C ATOM 147 CG PRO A 10 -11.983 -2.802 5.462 1.00 0.00 C ATOM 148 CD PRO A 10 -10.959 -2.578 6.546 1.00 0.00 C ATOM 0 HA PRO A 10 -9.548 -3.150 3.854 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -11.754 -1.069 4.222 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -11.840 -2.579 3.336 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -12.951 -2.394 5.751 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -12.128 -3.866 5.277 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -11.235 -1.745 7.192 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -10.854 -3.455 7.185 1.00 0.00 H new ATOM 156 N PHE A 11 -8.890 -1.278 2.403 1.00 0.00 N ATOM 157 CA PHE A 11 -8.208 -0.242 1.637 1.00 0.00 C ATOM 158 C PHE A 11 -9.204 0.580 0.823 1.00 0.00 C ATOM 159 O PHE A 11 -10.045 0.029 0.111 1.00 0.00 O ATOM 160 CB PHE A 11 -7.161 -0.875 0.714 1.00 0.00 C ATOM 161 CG PHE A 11 -6.602 0.072 -0.311 1.00 0.00 C ATOM 162 CD1 PHE A 11 -6.198 1.347 0.048 1.00 0.00 C ATOM 163 CD2 PHE A 11 -6.483 -0.316 -1.635 1.00 0.00 C ATOM 164 CE1 PHE A 11 -5.685 2.219 -0.894 1.00 0.00 C ATOM 165 CE2 PHE A 11 -5.973 0.550 -2.581 1.00 0.00 C ATOM 166 CZ PHE A 11 -5.573 1.819 -2.211 1.00 0.00 C ATOM 0 H PHE A 11 -9.069 -2.137 1.883 1.00 0.00 H new ATOM 0 HA PHE A 11 -7.707 0.428 2.336 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -6.343 -1.263 1.321 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -7.609 -1.726 0.202 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -6.285 1.664 1.077 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -6.793 -1.307 -1.931 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -5.373 3.210 -0.601 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -5.887 0.235 -3.611 1.00 0.00 H new ATOM 0 HZ PHE A 11 -5.173 2.497 -2.950 1.00 0.00 H new ATOM 176 N SER A 12 -9.101 1.901 0.932 1.00 0.00 N ATOM 177 CA SER A 12 -9.989 2.802 0.206 1.00 0.00 C ATOM 178 C SER A 12 -9.190 3.860 -0.552 1.00 0.00 C ATOM 179 O SER A 12 -8.155 4.328 -0.078 1.00 0.00 O ATOM 180 CB SER A 12 -10.962 3.479 1.173 1.00 0.00 C ATOM 181 OG SER A 12 -12.045 2.622 1.488 1.00 0.00 O ATOM 0 H SER A 12 -8.410 2.372 1.517 1.00 0.00 H new ATOM 0 HA SER A 12 -10.554 2.212 -0.516 1.00 0.00 H new ATOM 0 HB2 SER A 12 -10.437 3.758 2.087 1.00 0.00 H new ATOM 0 HB3 SER A 12 -11.340 4.400 0.729 1.00 0.00 H new ATOM 0 HG SER A 12 -12.652 3.077 2.109 1.00 0.00 H new ATOM 187 N SER A 13 -9.679 4.234 -1.731 1.00 0.00 N ATOM 188 CA SER A 13 -9.012 5.238 -2.551 1.00 0.00 C ATOM 189 C SER A 13 -9.888 5.641 -3.734 1.00 0.00 C ATOM 190 O SER A 13 -10.825 4.930 -4.096 1.00 0.00 O ATOM 191 CB SER A 13 -7.669 4.706 -3.054 1.00 0.00 C ATOM 192 OG SER A 13 -6.606 5.142 -2.224 1.00 0.00 O ATOM 0 H SER A 13 -10.534 3.857 -2.139 1.00 0.00 H new ATOM 0 HA SER A 13 -8.837 6.119 -1.933 1.00 0.00 H new ATOM 0 HB2 SER A 13 -7.692 3.617 -3.079 1.00 0.00 H new ATOM 0 HB3 SER A 13 -7.499 5.045 -4.076 1.00 0.00 H new ATOM 0 HG SER A 13 -6.840 4.988 -1.285 1.00 0.00 H new ATOM 198 N VAL A 14 -9.576 6.786 -4.332 1.00 0.00 N ATOM 199 CA VAL A 14 -10.336 7.282 -5.473 1.00 0.00 C ATOM 200 C VAL A 14 -9.678 8.519 -6.080 1.00 0.00 C ATOM 201 O VAL A 14 -9.973 9.649 -5.694 1.00 0.00 O ATOM 202 CB VAL A 14 -11.782 7.617 -5.075 1.00 0.00 C ATOM 203 CG1 VAL A 14 -11.790 8.659 -3.978 1.00 0.00 C ATOM 204 CG2 VAL A 14 -12.583 8.087 -6.281 1.00 0.00 C ATOM 0 H VAL A 14 -8.803 7.387 -4.046 1.00 0.00 H new ATOM 0 HA VAL A 14 -10.349 6.486 -6.218 1.00 0.00 H new ATOM 0 HB VAL A 14 -12.257 6.712 -4.696 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -12.819 8.890 -3.703 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -11.259 8.275 -3.107 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -11.298 9.564 -4.333 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -13.603 8.318 -5.973 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -12.120 8.980 -6.700 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -12.601 7.300 -7.035 1.00 0.00 H new ATOM 214 N THR A 15 -8.782 8.295 -7.034 1.00 0.00 N ATOM 215 CA THR A 15 -8.079 9.388 -7.695 1.00 0.00 C ATOM 216 C THR A 15 -7.485 8.931 -9.023 1.00 0.00 C ATOM 217 O THR A 15 -7.508 7.745 -9.352 1.00 0.00 O ATOM 218 CB THR A 15 -6.976 9.934 -6.789 1.00 0.00 C ATOM 219 OG1 THR A 15 -7.347 9.824 -5.427 1.00 0.00 O ATOM 220 CG2 THR A 15 -6.646 11.385 -7.059 1.00 0.00 C ATOM 0 H THR A 15 -8.525 7.366 -7.367 1.00 0.00 H new ATOM 0 HA THR A 15 -8.800 10.181 -7.896 1.00 0.00 H new ATOM 0 HB THR A 15 -6.095 9.331 -7.008 1.00 0.00 H new ATOM 0 HG1 THR A 15 -6.578 10.042 -4.860 1.00 0.00 H new ATOM 0 HG21 THR A 15 -5.856 11.710 -6.382 1.00 0.00 H new ATOM 0 HG22 THR A 15 -6.309 11.496 -8.090 1.00 0.00 H new ATOM 0 HG23 THR A 15 -7.535 11.996 -6.900 1.00 0.00 H new ATOM 228 N GLU A 16 -6.952 9.882 -9.785 1.00 0.00 N ATOM 229 CA GLU A 16 -6.353 9.582 -11.078 1.00 0.00 C ATOM 230 C GLU A 16 -5.133 8.678 -10.909 1.00 0.00 C ATOM 231 O GLU A 16 -4.842 7.844 -11.768 1.00 0.00 O ATOM 232 CB GLU A 16 -5.979 10.890 -11.795 1.00 0.00 C ATOM 233 CG GLU A 16 -4.619 10.874 -12.478 1.00 0.00 C ATOM 234 CD GLU A 16 -4.544 9.859 -13.603 1.00 0.00 C ATOM 235 OE1 GLU A 16 -5.430 9.882 -14.484 1.00 0.00 O ATOM 236 OE2 GLU A 16 -3.600 9.041 -13.602 1.00 0.00 O ATOM 0 H GLU A 16 -6.924 10.868 -9.527 1.00 0.00 H new ATOM 0 HA GLU A 16 -7.079 9.047 -11.691 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -6.743 11.111 -12.541 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -5.997 11.704 -11.070 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -4.403 11.866 -12.874 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -3.848 10.651 -11.740 1.00 0.00 H new ATOM 243 N GLU A 17 -4.424 8.848 -9.798 1.00 0.00 N ATOM 244 CA GLU A 17 -3.238 8.043 -9.520 1.00 0.00 C ATOM 245 C GLU A 17 -3.571 6.902 -8.565 1.00 0.00 C ATOM 246 O GLU A 17 -3.254 5.743 -8.834 1.00 0.00 O ATOM 247 CB GLU A 17 -2.118 8.906 -8.928 1.00 0.00 C ATOM 248 CG GLU A 17 -1.988 10.277 -9.575 1.00 0.00 C ATOM 249 CD GLU A 17 -1.466 11.326 -8.613 1.00 0.00 C ATOM 250 OE1 GLU A 17 -2.244 11.772 -7.743 1.00 0.00 O ATOM 251 OE2 GLU A 17 -0.281 11.702 -8.729 1.00 0.00 O ATOM 0 H GLU A 17 -4.648 9.534 -9.077 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.893 7.622 -10.465 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -2.297 9.034 -7.861 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -1.171 8.376 -9.031 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -1.318 10.209 -10.432 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -2.961 10.589 -9.955 1.00 0.00 H new ATOM 258 N GLU A 18 -4.214 7.236 -7.452 1.00 0.00 N ATOM 259 CA GLU A 18 -4.591 6.236 -6.460 1.00 0.00 C ATOM 260 C GLU A 18 -5.600 5.250 -7.056 1.00 0.00 C ATOM 261 O GLU A 18 -6.349 5.600 -7.969 1.00 0.00 O ATOM 262 CB GLU A 18 -5.208 6.901 -5.223 1.00 0.00 C ATOM 263 CG GLU A 18 -4.534 8.200 -4.811 1.00 0.00 C ATOM 264 CD GLU A 18 -5.075 8.745 -3.504 1.00 0.00 C ATOM 265 OE1 GLU A 18 -5.141 7.976 -2.522 1.00 0.00 O ATOM 266 OE2 GLU A 18 -5.433 9.941 -3.463 1.00 0.00 O ATOM 0 H GLU A 18 -4.485 8.190 -7.214 1.00 0.00 H new ATOM 0 HA GLU A 18 -3.688 5.701 -6.164 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -6.262 7.098 -5.418 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -5.164 6.201 -4.388 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -3.461 8.034 -4.716 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -4.673 8.943 -5.596 1.00 0.00 H new ATOM 273 N LEU A 19 -5.635 4.027 -6.529 1.00 0.00 N ATOM 274 CA LEU A 19 -6.576 3.017 -7.009 1.00 0.00 C ATOM 275 C LEU A 19 -6.970 2.068 -5.876 1.00 0.00 C ATOM 276 O LEU A 19 -6.284 1.994 -4.860 1.00 0.00 O ATOM 277 CB LEU A 19 -6.005 2.263 -8.221 1.00 0.00 C ATOM 278 CG LEU A 19 -5.052 1.097 -7.932 1.00 0.00 C ATOM 279 CD1 LEU A 19 -4.071 1.430 -6.829 1.00 0.00 C ATOM 280 CD2 LEU A 19 -5.827 -0.168 -7.592 1.00 0.00 C ATOM 0 H LEU A 19 -5.026 3.713 -5.773 1.00 0.00 H new ATOM 0 HA LEU A 19 -7.483 3.520 -7.345 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -6.841 1.880 -8.806 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.479 2.982 -8.850 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.478 0.919 -8.841 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.415 0.577 -6.656 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -3.474 2.294 -7.122 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -4.617 1.659 -5.914 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -5.128 -0.980 -7.391 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -6.442 0.008 -6.709 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.467 -0.439 -8.432 1.00 0.00 H new ATOM 292 N ASN A 20 -8.104 1.383 -6.034 1.00 0.00 N ATOM 293 CA ASN A 20 -8.606 0.487 -4.989 1.00 0.00 C ATOM 294 C ASN A 20 -8.317 -0.987 -5.269 1.00 0.00 C ATOM 295 O ASN A 20 -8.192 -1.412 -6.418 1.00 0.00 O ATOM 296 CB ASN A 20 -10.113 0.685 -4.812 1.00 0.00 C ATOM 297 CG ASN A 20 -10.860 0.655 -6.132 1.00 0.00 C ATOM 298 OD1 ASN A 20 -11.318 1.687 -6.621 1.00 0.00 O ATOM 299 ND2 ASN A 20 -10.988 -0.532 -6.713 1.00 0.00 N ATOM 0 H ASN A 20 -8.689 1.430 -6.868 1.00 0.00 H new ATOM 0 HA ASN A 20 -8.075 0.749 -4.074 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -10.505 -0.094 -4.158 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -10.296 1.638 -4.316 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -11.482 -0.614 -7.601 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -10.592 -1.362 -6.271 1.00 0.00 H new ATOM 306 N PHE A 21 -8.224 -1.756 -4.184 1.00 0.00 N ATOM 307 CA PHE A 21 -7.962 -3.193 -4.244 1.00 0.00 C ATOM 308 C PHE A 21 -8.913 -3.953 -3.325 1.00 0.00 C ATOM 309 O PHE A 21 -9.519 -3.371 -2.425 1.00 0.00 O ATOM 310 CB PHE A 21 -6.535 -3.513 -3.804 1.00 0.00 C ATOM 311 CG PHE A 21 -5.471 -2.750 -4.523 1.00 0.00 C ATOM 312 CD1 PHE A 21 -5.275 -2.924 -5.880 1.00 0.00 C ATOM 313 CD2 PHE A 21 -4.646 -1.877 -3.835 1.00 0.00 C ATOM 314 CE1 PHE A 21 -4.275 -2.242 -6.534 1.00 0.00 C ATOM 315 CE2 PHE A 21 -3.648 -1.186 -4.486 1.00 0.00 C ATOM 316 CZ PHE A 21 -3.460 -1.369 -5.838 1.00 0.00 C ATOM 0 H PHE A 21 -8.329 -1.397 -3.235 1.00 0.00 H new ATOM 0 HA PHE A 21 -8.108 -3.499 -5.280 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -6.446 -3.314 -2.736 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -6.357 -4.579 -3.946 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -5.912 -3.600 -6.431 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -4.787 -1.736 -2.774 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -4.126 -2.389 -7.594 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -3.015 -0.503 -3.938 1.00 0.00 H new ATOM 0 HZ PHE A 21 -2.678 -0.832 -6.353 1.00 0.00 H new ATOM 326 N GLU A 22 -9.001 -5.262 -3.527 1.00 0.00 N ATOM 327 CA GLU A 22 -9.833 -6.111 -2.684 1.00 0.00 C ATOM 328 C GLU A 22 -9.277 -6.074 -1.260 1.00 0.00 C ATOM 329 O GLU A 22 -8.603 -5.111 -0.890 1.00 0.00 O ATOM 330 CB GLU A 22 -9.854 -7.545 -3.221 1.00 0.00 C ATOM 331 CG GLU A 22 -11.253 -8.115 -3.381 1.00 0.00 C ATOM 332 CD GLU A 22 -11.253 -9.502 -3.993 1.00 0.00 C ATOM 333 OE1 GLU A 22 -10.568 -9.697 -5.019 1.00 0.00 O ATOM 334 OE2 GLU A 22 -11.937 -10.392 -3.446 1.00 0.00 O ATOM 0 H GLU A 22 -8.506 -5.759 -4.268 1.00 0.00 H new ATOM 0 HA GLU A 22 -10.859 -5.744 -2.686 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -9.348 -7.570 -4.186 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -9.285 -8.185 -2.546 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -11.739 -8.152 -2.406 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -11.844 -7.446 -4.007 1.00 0.00 H new ATOM 341 N LYS A 23 -9.545 -7.100 -0.454 1.00 0.00 N ATOM 342 CA LYS A 23 -9.040 -7.116 0.916 1.00 0.00 C ATOM 343 C LYS A 23 -7.538 -6.851 0.914 1.00 0.00 C ATOM 344 O LYS A 23 -6.778 -7.514 0.207 1.00 0.00 O ATOM 345 CB LYS A 23 -9.360 -8.462 1.589 1.00 0.00 C ATOM 346 CG LYS A 23 -8.141 -9.244 2.093 1.00 0.00 C ATOM 347 CD LYS A 23 -7.392 -8.540 3.233 1.00 0.00 C ATOM 348 CE LYS A 23 -8.280 -7.581 4.017 1.00 0.00 C ATOM 349 NZ LYS A 23 -9.408 -8.289 4.686 1.00 0.00 N ATOM 0 H LYS A 23 -10.098 -7.915 -0.719 1.00 0.00 H new ATOM 0 HA LYS A 23 -9.531 -6.329 1.488 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -10.028 -8.280 2.430 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -9.904 -9.085 0.879 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -8.465 -10.227 2.434 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -7.454 -9.406 1.262 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -6.985 -9.289 3.912 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -6.546 -7.990 2.821 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -7.682 -7.062 4.766 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -8.677 -6.821 3.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -10.309 -7.855 4.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -9.403 -9.291 4.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -9.300 -8.216 5.718 1.00 0.00 H new ATOM 363 N GLY A 24 -7.121 -5.866 1.700 1.00 0.00 N ATOM 364 CA GLY A 24 -5.718 -5.516 1.764 1.00 0.00 C ATOM 365 C GLY A 24 -5.165 -5.537 3.172 1.00 0.00 C ATOM 366 O GLY A 24 -5.109 -4.506 3.839 1.00 0.00 O ATOM 0 H GLY A 24 -7.731 -5.304 2.294 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -5.148 -6.210 1.146 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -5.578 -4.522 1.340 1.00 0.00 H new ATOM 370 N GLU A 25 -4.730 -6.709 3.611 1.00 0.00 N ATOM 371 CA GLU A 25 -4.140 -6.868 4.928 1.00 0.00 C ATOM 372 C GLU A 25 -2.628 -6.780 4.817 1.00 0.00 C ATOM 373 O GLU A 25 -1.928 -6.468 5.780 1.00 0.00 O ATOM 374 CB GLU A 25 -4.555 -8.204 5.547 1.00 0.00 C ATOM 375 CG GLU A 25 -5.081 -8.072 6.963 1.00 0.00 C ATOM 376 CD GLU A 25 -6.004 -9.210 7.352 1.00 0.00 C ATOM 377 OE1 GLU A 25 -5.548 -10.373 7.346 1.00 0.00 O ATOM 378 OE2 GLU A 25 -7.183 -8.939 7.663 1.00 0.00 O ATOM 0 H GLU A 25 -4.776 -7.570 3.067 1.00 0.00 H new ATOM 0 HA GLU A 25 -4.499 -6.070 5.578 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -5.322 -8.663 4.923 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -3.699 -8.878 5.546 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -4.241 -8.038 7.657 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -5.615 -7.127 7.061 1.00 0.00 H new ATOM 385 N THR A 26 -2.147 -7.056 3.615 1.00 0.00 N ATOM 386 CA THR A 26 -0.727 -7.016 3.318 1.00 0.00 C ATOM 387 C THR A 26 -0.479 -6.379 1.952 1.00 0.00 C ATOM 388 O THR A 26 -1.072 -6.778 0.950 1.00 0.00 O ATOM 389 CB THR A 26 -0.133 -8.420 3.348 1.00 0.00 C ATOM 390 OG1 THR A 26 -1.018 -9.354 2.757 1.00 0.00 O ATOM 391 CG2 THR A 26 0.187 -8.909 4.744 1.00 0.00 C ATOM 0 H THR A 26 -2.731 -7.314 2.819 1.00 0.00 H new ATOM 0 HA THR A 26 -0.240 -6.410 4.082 1.00 0.00 H new ATOM 0 HB THR A 26 0.798 -8.348 2.785 1.00 0.00 H new ATOM 0 HG1 THR A 26 -0.617 -10.248 2.785 1.00 0.00 H new ATOM 0 HG21 THR A 26 0.606 -9.914 4.690 1.00 0.00 H new ATOM 0 HG22 THR A 26 0.911 -8.238 5.207 1.00 0.00 H new ATOM 0 HG23 THR A 26 -0.725 -8.927 5.341 1.00 0.00 H new ATOM 399 N MET A 27 0.404 -5.391 1.928 1.00 0.00 N ATOM 400 CA MET A 27 0.749 -4.683 0.699 1.00 0.00 C ATOM 401 C MET A 27 2.247 -4.431 0.641 1.00 0.00 C ATOM 402 O MET A 27 2.933 -4.554 1.646 1.00 0.00 O ATOM 403 CB MET A 27 -0.007 -3.357 0.604 1.00 0.00 C ATOM 404 CG MET A 27 -1.374 -3.478 -0.052 1.00 0.00 C ATOM 405 SD MET A 27 -2.704 -3.695 1.144 1.00 0.00 S ATOM 406 CE MET A 27 -4.052 -2.859 0.310 1.00 0.00 C ATOM 0 H MET A 27 0.900 -5.057 2.754 1.00 0.00 H new ATOM 0 HA MET A 27 0.459 -5.307 -0.146 1.00 0.00 H new ATOM 0 HB2 MET A 27 -0.130 -2.946 1.606 1.00 0.00 H new ATOM 0 HB3 MET A 27 0.595 -2.645 0.040 1.00 0.00 H new ATOM 0 HG2 MET A 27 -1.568 -2.585 -0.646 1.00 0.00 H new ATOM 0 HG3 MET A 27 -1.368 -4.323 -0.740 1.00 0.00 H new ATOM 0 HE1 MET A 27 -4.828 -2.609 1.033 1.00 0.00 H new ATOM 0 HE2 MET A 27 -3.681 -1.945 -0.155 1.00 0.00 H new ATOM 0 HE3 MET A 27 -4.467 -3.513 -0.456 1.00 0.00 H new ATOM 416 N GLU A 28 2.758 -4.084 -0.532 1.00 0.00 N ATOM 417 CA GLU A 28 4.187 -3.815 -0.686 1.00 0.00 C ATOM 418 C GLU A 28 4.427 -2.442 -1.299 1.00 0.00 C ATOM 419 O GLU A 28 4.078 -2.199 -2.451 1.00 0.00 O ATOM 420 CB GLU A 28 4.844 -4.877 -1.554 1.00 0.00 C ATOM 421 CG GLU A 28 4.288 -6.277 -1.347 1.00 0.00 C ATOM 422 CD GLU A 28 5.279 -7.362 -1.725 1.00 0.00 C ATOM 423 OE1 GLU A 28 5.703 -7.395 -2.900 1.00 0.00 O ATOM 424 OE2 GLU A 28 5.631 -8.178 -0.847 1.00 0.00 O ATOM 0 H GLU A 28 2.212 -3.982 -1.387 1.00 0.00 H new ATOM 0 HA GLU A 28 4.631 -3.837 0.309 1.00 0.00 H new ATOM 0 HB2 GLU A 28 4.724 -4.601 -2.602 1.00 0.00 H new ATOM 0 HB3 GLU A 28 5.914 -4.888 -1.348 1.00 0.00 H new ATOM 0 HG2 GLU A 28 4.002 -6.399 -0.302 1.00 0.00 H new ATOM 0 HG3 GLU A 28 3.382 -6.395 -1.941 1.00 0.00 H new ATOM 431 N VAL A 29 5.043 -1.560 -0.528 1.00 0.00 N ATOM 432 CA VAL A 29 5.337 -0.211 -0.989 1.00 0.00 C ATOM 433 C VAL A 29 6.755 -0.131 -1.551 1.00 0.00 C ATOM 434 O VAL A 29 7.721 -0.544 -0.908 1.00 0.00 O ATOM 435 CB VAL A 29 5.130 0.809 0.156 1.00 0.00 C ATOM 436 CG1 VAL A 29 5.784 2.148 -0.147 1.00 0.00 C ATOM 437 CG2 VAL A 29 3.644 0.993 0.425 1.00 0.00 C ATOM 0 H VAL A 29 5.351 -1.755 0.425 1.00 0.00 H new ATOM 0 HA VAL A 29 4.645 0.040 -1.793 1.00 0.00 H new ATOM 0 HB VAL A 29 5.613 0.409 1.047 1.00 0.00 H new ATOM 0 HG11 VAL A 29 5.613 2.833 0.684 1.00 0.00 H new ATOM 0 HG12 VAL A 29 6.856 2.006 -0.286 1.00 0.00 H new ATOM 0 HG13 VAL A 29 5.352 2.566 -1.056 1.00 0.00 H new ATOM 0 HG21 VAL A 29 3.507 1.712 1.232 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.154 1.361 -0.476 1.00 0.00 H new ATOM 0 HG23 VAL A 29 3.205 0.037 0.712 1.00 0.00 H new ATOM 447 N ILE A 30 6.858 0.376 -2.775 1.00 0.00 N ATOM 448 CA ILE A 30 8.145 0.486 -3.465 1.00 0.00 C ATOM 449 C ILE A 30 8.963 1.689 -2.996 1.00 0.00 C ATOM 450 O ILE A 30 9.930 1.536 -2.251 1.00 0.00 O ATOM 451 CB ILE A 30 7.980 0.568 -5.007 1.00 0.00 C ATOM 452 CG1 ILE A 30 6.587 1.090 -5.403 1.00 0.00 C ATOM 453 CG2 ILE A 30 8.242 -0.792 -5.637 1.00 0.00 C ATOM 454 CD1 ILE A 30 5.554 -0.002 -5.612 1.00 0.00 C ATOM 0 H ILE A 30 6.063 0.720 -3.314 1.00 0.00 H new ATOM 0 HA ILE A 30 8.682 -0.427 -3.208 1.00 0.00 H new ATOM 0 HB ILE A 30 8.714 1.280 -5.384 1.00 0.00 H new ATOM 0 HG12 ILE A 30 6.231 1.769 -4.628 1.00 0.00 H new ATOM 0 HG13 ILE A 30 6.676 1.672 -6.320 1.00 0.00 H new ATOM 0 HG21 ILE A 30 8.123 -0.721 -6.718 1.00 0.00 H new ATOM 0 HG22 ILE A 30 9.258 -1.111 -5.404 1.00 0.00 H new ATOM 0 HG23 ILE A 30 7.533 -1.519 -5.241 1.00 0.00 H new ATOM 0 HD11 ILE A 30 4.600 0.447 -5.888 1.00 0.00 H new ATOM 0 HD12 ILE A 30 5.885 -0.669 -6.408 1.00 0.00 H new ATOM 0 HD13 ILE A 30 5.434 -0.570 -4.690 1.00 0.00 H new ATOM 466 N GLU A 31 8.595 2.878 -3.461 1.00 0.00 N ATOM 467 CA GLU A 31 9.325 4.093 -3.108 1.00 0.00 C ATOM 468 C GLU A 31 8.850 4.681 -1.784 1.00 0.00 C ATOM 469 O GLU A 31 7.650 4.772 -1.522 1.00 0.00 O ATOM 470 CB GLU A 31 9.184 5.138 -4.218 1.00 0.00 C ATOM 471 CG GLU A 31 7.747 5.542 -4.498 1.00 0.00 C ATOM 472 CD GLU A 31 7.446 5.636 -5.981 1.00 0.00 C ATOM 473 OE1 GLU A 31 8.336 6.072 -6.740 1.00 0.00 O ATOM 474 OE2 GLU A 31 6.320 5.272 -6.384 1.00 0.00 O ATOM 0 H GLU A 31 7.799 3.028 -4.081 1.00 0.00 H new ATOM 0 HA GLU A 31 10.374 3.819 -2.994 1.00 0.00 H new ATOM 0 HB2 GLU A 31 9.755 6.025 -3.944 1.00 0.00 H new ATOM 0 HB3 GLU A 31 9.626 4.745 -5.133 1.00 0.00 H new ATOM 0 HG2 GLU A 31 7.074 4.817 -4.040 1.00 0.00 H new ATOM 0 HG3 GLU A 31 7.546 6.505 -4.029 1.00 0.00 H new ATOM 481 N LYS A 32 9.809 5.085 -0.957 1.00 0.00 N ATOM 482 CA LYS A 32 9.522 5.677 0.337 1.00 0.00 C ATOM 483 C LYS A 32 9.503 7.199 0.236 1.00 0.00 C ATOM 484 O LYS A 32 10.059 7.771 -0.701 1.00 0.00 O ATOM 485 CB LYS A 32 10.567 5.230 1.355 1.00 0.00 C ATOM 486 CG LYS A 32 10.887 3.744 1.290 1.00 0.00 C ATOM 487 CD LYS A 32 9.628 2.894 1.397 1.00 0.00 C ATOM 488 CE LYS A 32 9.836 1.492 0.835 1.00 0.00 C ATOM 489 NZ LYS A 32 11.280 1.154 0.672 1.00 0.00 N ATOM 0 H LYS A 32 10.804 5.010 -1.168 1.00 0.00 H new ATOM 0 HA LYS A 32 8.538 5.341 0.665 1.00 0.00 H new ATOM 0 HB2 LYS A 32 11.484 5.797 1.195 1.00 0.00 H new ATOM 0 HB3 LYS A 32 10.213 5.473 2.357 1.00 0.00 H new ATOM 0 HG2 LYS A 32 11.398 3.522 0.353 1.00 0.00 H new ATOM 0 HG3 LYS A 32 11.572 3.483 2.096 1.00 0.00 H new ATOM 0 HD2 LYS A 32 9.325 2.825 2.442 1.00 0.00 H new ATOM 0 HD3 LYS A 32 8.814 3.382 0.861 1.00 0.00 H new ATOM 0 HE2 LYS A 32 9.368 0.764 1.498 1.00 0.00 H new ATOM 0 HE3 LYS A 32 9.336 1.412 -0.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 11.395 0.121 0.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 11.632 1.557 -0.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 11.821 1.548 1.468 1.00 0.00 H new ATOM 503 N PRO A 33 8.854 7.882 1.196 1.00 0.00 N ATOM 504 CA PRO A 33 8.757 9.344 1.203 1.00 0.00 C ATOM 505 C PRO A 33 10.060 10.029 1.612 1.00 0.00 C ATOM 506 O PRO A 33 10.103 11.249 1.770 1.00 0.00 O ATOM 507 CB PRO A 33 7.650 9.635 2.232 1.00 0.00 C ATOM 508 CG PRO A 33 7.069 8.304 2.589 1.00 0.00 C ATOM 509 CD PRO A 33 8.154 7.299 2.343 1.00 0.00 C ATOM 0 HA PRO A 33 8.543 9.730 0.206 1.00 0.00 H new ATOM 0 HB2 PRO A 33 8.055 10.134 3.112 1.00 0.00 H new ATOM 0 HB3 PRO A 33 6.890 10.294 1.813 1.00 0.00 H new ATOM 0 HG2 PRO A 33 6.749 8.285 3.631 1.00 0.00 H new ATOM 0 HG3 PRO A 33 6.191 8.086 1.981 1.00 0.00 H new ATOM 0 HD2 PRO A 33 8.809 7.186 3.207 1.00 0.00 H new ATOM 0 HD3 PRO A 33 7.752 6.311 2.117 1.00 0.00 H new ATOM 517 N GLU A 34 11.121 9.245 1.775 1.00 0.00 N ATOM 518 CA GLU A 34 12.418 9.790 2.157 1.00 0.00 C ATOM 519 C GLU A 34 12.899 10.803 1.125 1.00 0.00 C ATOM 520 O GLU A 34 13.548 11.793 1.465 1.00 0.00 O ATOM 521 CB GLU A 34 13.445 8.666 2.305 1.00 0.00 C ATOM 522 CG GLU A 34 13.643 7.853 1.036 1.00 0.00 C ATOM 523 CD GLU A 34 14.835 6.921 1.123 1.00 0.00 C ATOM 524 OE1 GLU A 34 15.765 7.215 1.903 1.00 0.00 O ATOM 525 OE2 GLU A 34 14.838 5.893 0.412 1.00 0.00 O ATOM 0 H GLU A 34 11.108 8.233 1.649 1.00 0.00 H new ATOM 0 HA GLU A 34 12.307 10.296 3.116 1.00 0.00 H new ATOM 0 HB2 GLU A 34 14.401 9.096 2.604 1.00 0.00 H new ATOM 0 HB3 GLU A 34 13.129 8.000 3.108 1.00 0.00 H new ATOM 0 HG2 GLU A 34 12.744 7.270 0.838 1.00 0.00 H new ATOM 0 HG3 GLU A 34 13.776 8.530 0.192 1.00 0.00 H new ATOM 532 N ASN A 35 12.568 10.552 -0.136 1.00 0.00 N ATOM 533 CA ASN A 35 12.956 11.443 -1.224 1.00 0.00 C ATOM 534 C ASN A 35 11.812 12.390 -1.569 1.00 0.00 C ATOM 535 O ASN A 35 12.016 13.591 -1.743 1.00 0.00 O ATOM 536 CB ASN A 35 13.358 10.634 -2.458 1.00 0.00 C ATOM 537 CG ASN A 35 12.339 9.569 -2.811 1.00 0.00 C ATOM 538 OD1 ASN A 35 11.239 9.874 -3.273 1.00 0.00 O ATOM 539 ND2 ASN A 35 12.698 8.309 -2.592 1.00 0.00 N ATOM 0 H ASN A 35 12.031 9.737 -0.431 1.00 0.00 H new ATOM 0 HA ASN A 35 13.813 12.033 -0.897 1.00 0.00 H new ATOM 0 HB2 ASN A 35 13.483 11.308 -3.306 1.00 0.00 H new ATOM 0 HB3 ASN A 35 14.325 10.163 -2.280 1.00 0.00 H new ATOM 0 HD21 ASN A 35 12.052 7.550 -2.808 1.00 0.00 H new ATOM 0 HD22 ASN A 35 13.620 8.101 -2.208 1.00 0.00 H new ATOM 546 N ASP A 36 10.606 11.839 -1.657 1.00 0.00 N ATOM 547 CA ASP A 36 9.422 12.629 -1.969 1.00 0.00 C ATOM 548 C ASP A 36 8.371 12.468 -0.872 1.00 0.00 C ATOM 549 O ASP A 36 7.657 11.466 -0.832 1.00 0.00 O ATOM 550 CB ASP A 36 8.837 12.200 -3.317 1.00 0.00 C ATOM 551 CG ASP A 36 9.396 13.005 -4.473 1.00 0.00 C ATOM 552 OD1 ASP A 36 10.463 13.631 -4.301 1.00 0.00 O ATOM 553 OD2 ASP A 36 8.765 13.010 -5.552 1.00 0.00 O ATOM 0 H ASP A 36 10.423 10.845 -1.516 1.00 0.00 H new ATOM 0 HA ASP A 36 9.713 13.678 -2.027 1.00 0.00 H new ATOM 0 HB2 ASP A 36 9.045 11.143 -3.480 1.00 0.00 H new ATOM 0 HB3 ASP A 36 7.753 12.311 -3.291 1.00 0.00 H new ATOM 558 N PRO A 37 8.262 13.452 0.038 1.00 0.00 N ATOM 559 CA PRO A 37 7.294 13.404 1.136 1.00 0.00 C ATOM 560 C PRO A 37 5.876 13.730 0.681 1.00 0.00 C ATOM 561 O PRO A 37 5.247 14.658 1.191 1.00 0.00 O ATOM 562 CB PRO A 37 7.809 14.473 2.097 1.00 0.00 C ATOM 563 CG PRO A 37 8.495 15.466 1.223 1.00 0.00 C ATOM 564 CD PRO A 37 9.076 14.684 0.072 1.00 0.00 C ATOM 0 HA PRO A 37 7.222 12.409 1.576 1.00 0.00 H new ATOM 0 HB2 PRO A 37 6.992 14.932 2.653 1.00 0.00 H new ATOM 0 HB3 PRO A 37 8.495 14.049 2.830 1.00 0.00 H new ATOM 0 HG2 PRO A 37 7.794 16.220 0.866 1.00 0.00 H new ATOM 0 HG3 PRO A 37 9.277 15.992 1.771 1.00 0.00 H new ATOM 0 HD2 PRO A 37 9.004 15.237 -0.864 1.00 0.00 H new ATOM 0 HD3 PRO A 37 10.131 14.462 0.231 1.00 0.00 H new ATOM 572 N GLU A 38 5.375 12.967 -0.286 1.00 0.00 N ATOM 573 CA GLU A 38 4.038 13.180 -0.808 1.00 0.00 C ATOM 574 C GLU A 38 3.180 11.925 -0.648 1.00 0.00 C ATOM 575 O GLU A 38 2.335 11.849 0.244 1.00 0.00 O ATOM 576 CB GLU A 38 4.120 13.583 -2.280 1.00 0.00 C ATOM 577 CG GLU A 38 3.652 15.004 -2.555 1.00 0.00 C ATOM 578 CD GLU A 38 2.219 15.251 -2.126 1.00 0.00 C ATOM 579 OE1 GLU A 38 1.722 14.510 -1.252 1.00 0.00 O ATOM 580 OE2 GLU A 38 1.593 16.189 -2.663 1.00 0.00 O ATOM 0 H GLU A 38 5.880 12.195 -0.722 1.00 0.00 H new ATOM 0 HA GLU A 38 3.567 13.982 -0.240 1.00 0.00 H new ATOM 0 HB2 GLU A 38 5.151 13.478 -2.619 1.00 0.00 H new ATOM 0 HB3 GLU A 38 3.518 12.892 -2.870 1.00 0.00 H new ATOM 0 HG2 GLU A 38 4.307 15.703 -2.034 1.00 0.00 H new ATOM 0 HG3 GLU A 38 3.747 15.212 -3.621 1.00 0.00 H new ATOM 587 N TRP A 39 3.403 10.942 -1.518 1.00 0.00 N ATOM 588 CA TRP A 39 2.649 9.691 -1.471 1.00 0.00 C ATOM 589 C TRP A 39 3.475 8.530 -2.018 1.00 0.00 C ATOM 590 O TRP A 39 4.402 8.732 -2.802 1.00 0.00 O ATOM 591 CB TRP A 39 1.360 9.796 -2.299 1.00 0.00 C ATOM 592 CG TRP A 39 0.811 11.184 -2.429 1.00 0.00 C ATOM 593 CD1 TRP A 39 0.050 11.860 -1.519 1.00 0.00 C ATOM 594 CD2 TRP A 39 0.969 12.060 -3.551 1.00 0.00 C ATOM 595 NE1 TRP A 39 -0.275 13.103 -2.007 1.00 0.00 N ATOM 596 CE2 TRP A 39 0.281 13.250 -3.253 1.00 0.00 C ATOM 597 CE3 TRP A 39 1.629 11.952 -4.778 1.00 0.00 C ATOM 598 CZ2 TRP A 39 0.233 14.324 -4.139 1.00 0.00 C ATOM 599 CZ3 TRP A 39 1.581 13.019 -5.657 1.00 0.00 C ATOM 600 CH2 TRP A 39 0.889 14.191 -5.333 1.00 0.00 C ATOM 0 H TRP A 39 4.098 10.987 -2.263 1.00 0.00 H new ATOM 0 HA TRP A 39 2.404 9.507 -0.425 1.00 0.00 H new ATOM 0 HB2 TRP A 39 1.552 9.401 -3.297 1.00 0.00 H new ATOM 0 HB3 TRP A 39 0.600 9.160 -1.845 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -0.252 11.474 -0.557 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -0.838 13.802 -1.522 1.00 0.00 H new ATOM 0 HE3 TRP A 39 2.167 11.052 -5.035 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -0.303 15.229 -3.893 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 2.086 12.946 -6.609 1.00 0.00 H new ATOM 0 HH2 TRP A 39 0.872 15.008 -6.040 1.00 0.00 H new ATOM 611 N TRP A 40 3.101 7.312 -1.635 1.00 0.00 N ATOM 612 CA TRP A 40 3.780 6.120 -2.129 1.00 0.00 C ATOM 613 C TRP A 40 2.805 5.284 -2.946 1.00 0.00 C ATOM 614 O TRP A 40 1.653 5.669 -3.121 1.00 0.00 O ATOM 615 CB TRP A 40 4.381 5.286 -0.991 1.00 0.00 C ATOM 616 CG TRP A 40 3.514 5.177 0.225 1.00 0.00 C ATOM 617 CD1 TRP A 40 2.221 4.749 0.285 1.00 0.00 C ATOM 618 CD2 TRP A 40 3.896 5.489 1.568 1.00 0.00 C ATOM 619 NE1 TRP A 40 1.776 4.783 1.582 1.00 0.00 N ATOM 620 CE2 TRP A 40 2.788 5.239 2.390 1.00 0.00 C ATOM 621 CE3 TRP A 40 5.069 5.960 2.151 1.00 0.00 C ATOM 622 CZ2 TRP A 40 2.824 5.444 3.771 1.00 0.00 C ATOM 623 CZ3 TRP A 40 5.107 6.164 3.516 1.00 0.00 C ATOM 624 CH2 TRP A 40 3.990 5.906 4.313 1.00 0.00 C ATOM 0 H TRP A 40 2.335 7.126 -0.987 1.00 0.00 H new ATOM 0 HA TRP A 40 4.609 6.440 -2.760 1.00 0.00 H new ATOM 0 HB2 TRP A 40 4.590 4.283 -1.364 1.00 0.00 H new ATOM 0 HB3 TRP A 40 5.336 5.724 -0.702 1.00 0.00 H new ATOM 0 HD1 TRP A 40 1.634 4.430 -0.563 1.00 0.00 H new ATOM 0 HE1 TRP A 40 0.844 4.513 1.896 1.00 0.00 H new ATOM 0 HE3 TRP A 40 5.938 6.163 1.543 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 1.961 5.244 4.389 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 6.014 6.529 3.974 1.00 0.00 H new ATOM 0 HH2 TRP A 40 4.049 6.075 5.378 1.00 0.00 H new ATOM 635 N LYS A 41 3.269 4.153 -3.454 1.00 0.00 N ATOM 636 CA LYS A 41 2.435 3.282 -4.269 1.00 0.00 C ATOM 637 C LYS A 41 2.878 1.836 -4.141 1.00 0.00 C ATOM 638 O LYS A 41 4.071 1.547 -4.098 1.00 0.00 O ATOM 639 CB LYS A 41 2.418 3.718 -5.733 1.00 0.00 C ATOM 640 CG LYS A 41 3.771 4.119 -6.273 1.00 0.00 C ATOM 641 CD LYS A 41 4.589 2.903 -6.671 1.00 0.00 C ATOM 642 CE LYS A 41 4.381 2.493 -8.127 1.00 0.00 C ATOM 643 NZ LYS A 41 3.330 3.296 -8.818 1.00 0.00 N ATOM 0 H LYS A 41 4.222 3.816 -3.316 1.00 0.00 H new ATOM 0 HA LYS A 41 1.415 3.364 -3.894 1.00 0.00 H new ATOM 0 HB2 LYS A 41 2.024 2.902 -6.339 1.00 0.00 H new ATOM 0 HB3 LYS A 41 1.731 4.557 -5.843 1.00 0.00 H new ATOM 0 HG2 LYS A 41 3.641 4.771 -7.137 1.00 0.00 H new ATOM 0 HG3 LYS A 41 4.311 4.692 -5.519 1.00 0.00 H new ATOM 0 HD2 LYS A 41 5.646 3.113 -6.506 1.00 0.00 H new ATOM 0 HD3 LYS A 41 4.326 2.067 -6.023 1.00 0.00 H new ATOM 0 HE2 LYS A 41 5.323 2.598 -8.666 1.00 0.00 H new ATOM 0 HE3 LYS A 41 4.108 1.438 -8.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 3.103 2.857 -9.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 2.474 3.329 -8.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 3.679 4.263 -8.976 1.00 0.00 H new ATOM 657 N CYS A 42 1.915 0.932 -4.049 1.00 0.00 N ATOM 658 CA CYS A 42 2.218 -0.478 -3.905 1.00 0.00 C ATOM 659 C CYS A 42 1.414 -1.304 -4.898 1.00 0.00 C ATOM 660 O CYS A 42 0.342 -0.888 -5.336 1.00 0.00 O ATOM 661 CB CYS A 42 1.914 -0.947 -2.480 1.00 0.00 C ATOM 662 SG CYS A 42 0.346 -0.337 -1.819 1.00 0.00 S ATOM 0 H CYS A 42 0.919 1.152 -4.072 1.00 0.00 H new ATOM 0 HA CYS A 42 3.280 -0.618 -4.108 1.00 0.00 H new ATOM 0 HB2 CYS A 42 1.904 -2.037 -2.462 1.00 0.00 H new ATOM 0 HB3 CYS A 42 2.722 -0.625 -1.823 1.00 0.00 H new ATOM 0 HG CYS A 42 -0.513 -0.209 -2.787 1.00 0.00 H new ATOM 668 N LYS A 43 1.934 -2.475 -5.248 1.00 0.00 N ATOM 669 CA LYS A 43 1.264 -3.355 -6.196 1.00 0.00 C ATOM 670 C LYS A 43 0.367 -4.343 -5.475 1.00 0.00 C ATOM 671 O LYS A 43 0.737 -4.919 -4.451 1.00 0.00 O ATOM 672 CB LYS A 43 2.291 -4.106 -7.045 1.00 0.00 C ATOM 673 CG LYS A 43 3.183 -5.036 -6.238 1.00 0.00 C ATOM 674 CD LYS A 43 4.550 -5.199 -6.886 1.00 0.00 C ATOM 675 CE LYS A 43 4.604 -6.429 -7.777 1.00 0.00 C ATOM 676 NZ LYS A 43 3.556 -6.397 -8.834 1.00 0.00 N ATOM 0 H LYS A 43 2.818 -2.836 -4.889 1.00 0.00 H new ATOM 0 HA LYS A 43 0.646 -2.739 -6.849 1.00 0.00 H new ATOM 0 HB2 LYS A 43 1.768 -4.687 -7.805 1.00 0.00 H new ATOM 0 HB3 LYS A 43 2.915 -3.383 -7.570 1.00 0.00 H new ATOM 0 HG2 LYS A 43 3.302 -4.642 -5.229 1.00 0.00 H new ATOM 0 HG3 LYS A 43 2.705 -6.011 -6.145 1.00 0.00 H new ATOM 0 HD2 LYS A 43 4.782 -4.312 -7.475 1.00 0.00 H new ATOM 0 HD3 LYS A 43 5.313 -5.276 -6.112 1.00 0.00 H new ATOM 0 HE2 LYS A 43 5.587 -6.497 -8.243 1.00 0.00 H new ATOM 0 HE3 LYS A 43 4.478 -7.324 -7.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 3.759 -7.127 -9.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 2.626 -6.580 -8.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 3.550 -5.462 -9.289 1.00 0.00 H new ATOM 690 N ASN A 44 -0.823 -4.525 -6.030 1.00 0.00 N ATOM 691 CA ASN A 44 -1.804 -5.431 -5.470 1.00 0.00 C ATOM 692 C ASN A 44 -1.948 -6.640 -6.361 1.00 0.00 C ATOM 693 O ASN A 44 -1.372 -6.693 -7.448 1.00 0.00 O ATOM 694 CB ASN A 44 -3.156 -4.733 -5.320 1.00 0.00 C ATOM 695 CG ASN A 44 -4.008 -5.350 -4.227 1.00 0.00 C ATOM 696 OD1 ASN A 44 -4.756 -6.298 -4.469 1.00 0.00 O ATOM 697 ND2 ASN A 44 -3.897 -4.814 -3.018 1.00 0.00 N ATOM 0 H ASN A 44 -1.131 -4.049 -6.878 1.00 0.00 H new ATOM 0 HA ASN A 44 -1.465 -5.746 -4.483 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -2.994 -3.678 -5.099 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -3.694 -4.781 -6.267 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -4.445 -5.187 -2.243 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -3.264 -4.029 -2.864 1.00 0.00 H new ATOM 704 N ALA A 45 -2.730 -7.605 -5.916 1.00 0.00 N ATOM 705 CA ALA A 45 -2.950 -8.793 -6.708 1.00 0.00 C ATOM 706 C ALA A 45 -3.823 -8.469 -7.917 1.00 0.00 C ATOM 707 O ALA A 45 -4.070 -9.321 -8.770 1.00 0.00 O ATOM 708 CB ALA A 45 -3.572 -9.888 -5.860 1.00 0.00 C ATOM 0 H ALA A 45 -3.217 -7.588 -5.020 1.00 0.00 H new ATOM 0 HA ALA A 45 -1.989 -9.156 -7.072 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -3.731 -10.776 -6.472 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -2.904 -10.132 -5.034 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -4.528 -9.544 -5.465 1.00 0.00 H new ATOM 714 N ARG A 46 -4.277 -7.216 -7.985 1.00 0.00 N ATOM 715 CA ARG A 46 -5.106 -6.747 -9.081 1.00 0.00 C ATOM 716 C ARG A 46 -4.234 -6.337 -10.270 1.00 0.00 C ATOM 717 O ARG A 46 -4.745 -5.936 -11.316 1.00 0.00 O ATOM 718 CB ARG A 46 -5.930 -5.540 -8.625 1.00 0.00 C ATOM 719 CG ARG A 46 -7.138 -5.883 -7.762 1.00 0.00 C ATOM 720 CD ARG A 46 -6.869 -7.030 -6.800 1.00 0.00 C ATOM 721 NE ARG A 46 -7.002 -8.335 -7.446 1.00 0.00 N ATOM 722 CZ ARG A 46 -8.149 -8.814 -7.921 1.00 0.00 C ATOM 723 NH1 ARG A 46 -9.267 -8.107 -7.817 1.00 0.00 N ATOM 724 NH2 ARG A 46 -8.180 -10.008 -8.497 1.00 0.00 N ATOM 0 H ARG A 46 -4.078 -6.505 -7.281 1.00 0.00 H new ATOM 0 HA ARG A 46 -5.770 -7.556 -9.385 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -5.282 -4.865 -8.067 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -6.272 -4.997 -9.506 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -7.435 -5.001 -7.195 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -7.977 -6.145 -8.407 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -5.864 -6.930 -6.390 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -7.563 -6.969 -5.962 1.00 0.00 H new ATOM 0 HE ARG A 46 -6.166 -8.912 -7.538 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -9.251 -7.190 -7.371 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -10.143 -8.481 -8.183 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -7.325 -10.559 -8.576 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -9.059 -10.376 -8.861 1.00 0.00 H new ATOM 738 N GLY A 47 -2.913 -6.420 -10.091 1.00 0.00 N ATOM 739 CA GLY A 47 -1.992 -6.032 -11.145 1.00 0.00 C ATOM 740 C GLY A 47 -1.871 -4.522 -11.264 1.00 0.00 C ATOM 741 O GLY A 47 -1.230 -4.010 -12.181 1.00 0.00 O ATOM 0 H GLY A 47 -2.468 -6.749 -9.234 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -1.010 -6.460 -10.945 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.332 -6.445 -12.095 1.00 0.00 H new ATOM 745 N GLN A 48 -2.506 -3.815 -10.332 1.00 0.00 N ATOM 746 CA GLN A 48 -2.498 -2.358 -10.314 1.00 0.00 C ATOM 747 C GLN A 48 -1.858 -1.816 -9.046 1.00 0.00 C ATOM 748 O GLN A 48 -2.121 -2.300 -7.952 1.00 0.00 O ATOM 749 CB GLN A 48 -3.925 -1.801 -10.447 1.00 0.00 C ATOM 750 CG GLN A 48 -5.029 -2.778 -10.060 1.00 0.00 C ATOM 751 CD GLN A 48 -6.336 -2.486 -10.771 1.00 0.00 C ATOM 752 OE1 GLN A 48 -7.031 -3.398 -11.218 1.00 0.00 O ATOM 753 NE2 GLN A 48 -6.676 -1.207 -10.878 1.00 0.00 N ATOM 0 H GLN A 48 -3.039 -4.236 -9.571 1.00 0.00 H new ATOM 0 HA GLN A 48 -1.903 -2.032 -11.167 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -4.012 -0.910 -9.825 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -4.083 -1.486 -11.478 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -4.710 -3.794 -10.295 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -5.187 -2.735 -8.982 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -6.069 -0.484 -10.492 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -7.544 -0.948 -11.346 1.00 0.00 H new ATOM 762 N VAL A 49 -1.052 -0.780 -9.197 1.00 0.00 N ATOM 763 CA VAL A 49 -0.433 -0.133 -8.051 1.00 0.00 C ATOM 764 C VAL A 49 -0.599 1.363 -8.186 1.00 0.00 C ATOM 765 O VAL A 49 -0.236 1.954 -9.203 1.00 0.00 O ATOM 766 CB VAL A 49 1.063 -0.463 -7.861 1.00 0.00 C ATOM 767 CG1 VAL A 49 1.745 -0.725 -9.173 1.00 0.00 C ATOM 768 CG2 VAL A 49 1.768 0.651 -7.099 1.00 0.00 C ATOM 0 H VAL A 49 -0.811 -0.369 -10.099 1.00 0.00 H new ATOM 0 HA VAL A 49 -0.941 -0.521 -7.168 1.00 0.00 H new ATOM 0 HB VAL A 49 1.125 -1.378 -7.272 1.00 0.00 H new ATOM 0 HG11 VAL A 49 2.796 -0.953 -8.997 1.00 0.00 H new ATOM 0 HG12 VAL A 49 1.268 -1.570 -9.669 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.667 0.158 -9.807 1.00 0.00 H new ATOM 0 HG21 VAL A 49 2.821 0.398 -6.976 1.00 0.00 H new ATOM 0 HG22 VAL A 49 1.682 1.584 -7.656 1.00 0.00 H new ATOM 0 HG23 VAL A 49 1.307 0.770 -6.119 1.00 0.00 H new ATOM 778 N GLY A 50 -1.151 1.964 -7.158 1.00 0.00 N ATOM 779 CA GLY A 50 -1.363 3.382 -7.173 1.00 0.00 C ATOM 780 C GLY A 50 -0.915 4.018 -5.893 1.00 0.00 C ATOM 781 O GLY A 50 -0.178 3.418 -5.118 1.00 0.00 O ATOM 0 H GLY A 50 -1.458 1.492 -6.308 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -0.820 3.823 -8.009 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -2.421 3.591 -7.334 1.00 0.00 H new ATOM 785 N LEU A 51 -1.349 5.236 -5.676 1.00 0.00 N ATOM 786 CA LEU A 51 -0.967 5.960 -4.482 1.00 0.00 C ATOM 787 C LEU A 51 -1.876 5.621 -3.308 1.00 0.00 C ATOM 788 O LEU A 51 -3.102 5.639 -3.422 1.00 0.00 O ATOM 789 CB LEU A 51 -0.955 7.455 -4.768 1.00 0.00 C ATOM 790 CG LEU A 51 0.320 7.977 -5.450 1.00 0.00 C ATOM 791 CD1 LEU A 51 1.174 6.848 -6.010 1.00 0.00 C ATOM 792 CD2 LEU A 51 -0.033 8.963 -6.547 1.00 0.00 C ATOM 0 H LEU A 51 -1.965 5.748 -6.307 1.00 0.00 H new ATOM 0 HA LEU A 51 0.039 5.654 -4.197 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.811 7.696 -5.399 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.091 7.990 -3.828 1.00 0.00 H new ATOM 0 HG LEU A 51 0.910 8.485 -4.687 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.064 7.265 -6.482 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.471 6.181 -5.201 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.599 6.289 -6.748 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.880 9.323 -7.020 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -0.657 8.470 -7.292 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -0.576 9.805 -6.118 1.00 0.00 H new ATOM 804 N VAL A 52 -1.250 5.287 -2.184 1.00 0.00 N ATOM 805 CA VAL A 52 -1.974 4.910 -0.978 1.00 0.00 C ATOM 806 C VAL A 52 -1.407 5.612 0.257 1.00 0.00 C ATOM 807 O VAL A 52 -0.198 5.765 0.393 1.00 0.00 O ATOM 808 CB VAL A 52 -1.890 3.386 -0.761 1.00 0.00 C ATOM 809 CG1 VAL A 52 -0.433 2.942 -0.738 1.00 0.00 C ATOM 810 CG2 VAL A 52 -2.610 2.969 0.520 1.00 0.00 C ATOM 0 H VAL A 52 -0.235 5.270 -2.085 1.00 0.00 H new ATOM 0 HA VAL A 52 -3.012 5.215 -1.113 1.00 0.00 H new ATOM 0 HB VAL A 52 -2.392 2.891 -1.592 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -0.384 1.864 -0.584 1.00 0.00 H new ATOM 0 HG12 VAL A 52 0.040 3.195 -1.687 1.00 0.00 H new ATOM 0 HG13 VAL A 52 0.089 3.449 0.074 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.533 1.889 0.645 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -2.151 3.467 1.374 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -3.660 3.253 0.456 1.00 0.00 H new ATOM 820 N PRO A 53 -2.283 6.045 1.176 1.00 0.00 N ATOM 821 CA PRO A 53 -1.888 6.724 2.417 1.00 0.00 C ATOM 822 C PRO A 53 -1.684 5.735 3.569 1.00 0.00 C ATOM 823 O PRO A 53 -2.381 5.800 4.580 1.00 0.00 O ATOM 824 CB PRO A 53 -3.128 7.554 2.682 1.00 0.00 C ATOM 825 CG PRO A 53 -4.191 6.569 2.378 1.00 0.00 C ATOM 826 CD PRO A 53 -3.754 5.920 1.096 1.00 0.00 C ATOM 0 HA PRO A 53 -0.951 7.274 2.337 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -3.176 7.909 3.712 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -3.182 8.433 2.039 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -4.292 5.836 3.178 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -5.160 7.055 2.266 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -4.073 4.879 1.036 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -4.160 6.429 0.222 1.00 0.00 H new ATOM 834 N LYS A 54 -0.750 4.811 3.399 1.00 0.00 N ATOM 835 CA LYS A 54 -0.463 3.781 4.406 1.00 0.00 C ATOM 836 C LYS A 54 -0.376 4.334 5.832 1.00 0.00 C ATOM 837 O LYS A 54 -0.361 3.565 6.787 1.00 0.00 O ATOM 838 CB LYS A 54 0.831 3.042 4.058 1.00 0.00 C ATOM 839 CG LYS A 54 0.641 1.730 3.310 1.00 0.00 C ATOM 840 CD LYS A 54 -0.548 1.753 2.359 1.00 0.00 C ATOM 841 CE LYS A 54 -1.522 0.621 2.654 1.00 0.00 C ATOM 842 NZ LYS A 54 -1.512 -0.413 1.583 1.00 0.00 N ATOM 0 H LYS A 54 -0.167 4.748 2.564 1.00 0.00 H new ATOM 0 HA LYS A 54 -1.306 3.090 4.385 1.00 0.00 H new ATOM 0 HB2 LYS A 54 1.456 3.700 3.454 1.00 0.00 H new ATOM 0 HB3 LYS A 54 1.376 2.841 4.980 1.00 0.00 H new ATOM 0 HG2 LYS A 54 1.546 1.506 2.746 1.00 0.00 H new ATOM 0 HG3 LYS A 54 0.507 0.923 4.031 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -1.064 2.709 2.444 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -0.194 1.671 1.331 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -1.264 0.159 3.607 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -2.529 1.026 2.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -1.660 -1.352 2.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -2.274 -0.216 0.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -0.596 -0.395 1.092 1.00 0.00 H new ATOM 856 N ASN A 55 -0.328 5.656 5.987 1.00 0.00 N ATOM 857 CA ASN A 55 -0.258 6.266 7.315 1.00 0.00 C ATOM 858 C ASN A 55 -1.254 5.617 8.285 1.00 0.00 C ATOM 859 O ASN A 55 -1.088 5.702 9.502 1.00 0.00 O ATOM 860 CB ASN A 55 -0.532 7.769 7.223 1.00 0.00 C ATOM 861 CG ASN A 55 0.344 8.574 8.163 1.00 0.00 C ATOM 862 OD1 ASN A 55 0.990 9.539 7.755 1.00 0.00 O ATOM 863 ND2 ASN A 55 0.370 8.180 9.431 1.00 0.00 N ATOM 0 H ASN A 55 -0.336 6.322 5.215 1.00 0.00 H new ATOM 0 HA ASN A 55 0.748 6.103 7.701 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -0.366 8.104 6.199 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -1.580 7.960 7.454 1.00 0.00 H new ATOM 0 HD21 ASN A 55 0.941 8.683 10.110 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -0.181 7.374 9.726 1.00 0.00 H new ATOM 870 N TYR A 56 -2.280 4.958 7.741 1.00 0.00 N ATOM 871 CA TYR A 56 -3.285 4.287 8.561 1.00 0.00 C ATOM 872 C TYR A 56 -3.022 2.789 8.588 1.00 0.00 C ATOM 873 O TYR A 56 -3.946 1.985 8.667 1.00 0.00 O ATOM 874 CB TYR A 56 -4.692 4.570 8.020 1.00 0.00 C ATOM 875 CG TYR A 56 -5.067 3.786 6.777 1.00 0.00 C ATOM 876 CD1 TYR A 56 -4.739 4.258 5.514 1.00 0.00 C ATOM 877 CD2 TYR A 56 -5.755 2.581 6.868 1.00 0.00 C ATOM 878 CE1 TYR A 56 -5.082 3.552 4.376 1.00 0.00 C ATOM 879 CE2 TYR A 56 -6.102 1.871 5.736 1.00 0.00 C ATOM 880 CZ TYR A 56 -5.762 2.360 4.493 1.00 0.00 C ATOM 881 OH TYR A 56 -6.108 1.656 3.363 1.00 0.00 O ATOM 0 H TYR A 56 -2.434 4.876 6.736 1.00 0.00 H new ATOM 0 HA TYR A 56 -3.221 4.674 9.578 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -5.418 4.351 8.803 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -4.773 5.634 7.799 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -4.207 5.193 5.418 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -6.022 2.194 7.840 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -4.818 3.933 3.401 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -6.637 0.937 5.824 1.00 0.00 H new ATOM 0 HH TYR A 56 -5.826 0.722 3.460 1.00 0.00 H new ATOM 891 N VAL A 57 -1.753 2.429 8.499 1.00 0.00 N ATOM 892 CA VAL A 57 -1.348 1.034 8.484 1.00 0.00 C ATOM 893 C VAL A 57 0.022 0.864 9.130 1.00 0.00 C ATOM 894 O VAL A 57 0.683 1.843 9.478 1.00 0.00 O ATOM 895 CB VAL A 57 -1.284 0.500 7.028 1.00 0.00 C ATOM 896 CG1 VAL A 57 -2.278 1.220 6.125 1.00 0.00 C ATOM 897 CG2 VAL A 57 0.118 0.626 6.448 1.00 0.00 C ATOM 0 H VAL A 57 -0.979 3.090 8.436 1.00 0.00 H new ATOM 0 HA VAL A 57 -2.089 0.468 9.049 1.00 0.00 H new ATOM 0 HB VAL A 57 -1.551 -0.556 7.070 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -2.206 0.821 5.113 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -3.289 1.069 6.503 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -2.051 2.286 6.111 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.125 0.243 5.428 1.00 0.00 H new ATOM 0 HG22 VAL A 57 0.417 1.674 6.444 1.00 0.00 H new ATOM 0 HG23 VAL A 57 0.816 0.052 7.057 1.00 0.00 H new ATOM 907 N VAL A 58 0.461 -0.382 9.240 1.00 0.00 N ATOM 908 CA VAL A 58 1.773 -0.677 9.787 1.00 0.00 C ATOM 909 C VAL A 58 2.685 -1.134 8.655 1.00 0.00 C ATOM 910 O VAL A 58 2.467 -2.190 8.062 1.00 0.00 O ATOM 911 CB VAL A 58 1.709 -1.766 10.878 1.00 0.00 C ATOM 912 CG1 VAL A 58 1.162 -3.068 10.311 1.00 0.00 C ATOM 913 CG2 VAL A 58 3.079 -1.980 11.501 1.00 0.00 C ATOM 0 H VAL A 58 -0.074 -1.203 8.957 1.00 0.00 H new ATOM 0 HA VAL A 58 2.164 0.228 10.252 1.00 0.00 H new ATOM 0 HB VAL A 58 1.029 -1.427 11.659 1.00 0.00 H new ATOM 0 HG11 VAL A 58 1.126 -3.821 11.098 1.00 0.00 H new ATOM 0 HG12 VAL A 58 0.158 -2.902 9.922 1.00 0.00 H new ATOM 0 HG13 VAL A 58 1.810 -3.415 9.506 1.00 0.00 H new ATOM 0 HG21 VAL A 58 3.013 -2.752 12.268 1.00 0.00 H new ATOM 0 HG22 VAL A 58 3.784 -2.293 10.731 1.00 0.00 H new ATOM 0 HG23 VAL A 58 3.423 -1.049 11.951 1.00 0.00 H new ATOM 923 N VAL A 59 3.691 -0.327 8.340 1.00 0.00 N ATOM 924 CA VAL A 59 4.604 -0.654 7.254 1.00 0.00 C ATOM 925 C VAL A 59 5.527 -1.802 7.612 1.00 0.00 C ATOM 926 O VAL A 59 5.939 -1.960 8.761 1.00 0.00 O ATOM 927 CB VAL A 59 5.461 0.545 6.816 1.00 0.00 C ATOM 928 CG1 VAL A 59 6.265 0.183 5.570 1.00 0.00 C ATOM 929 CG2 VAL A 59 4.587 1.765 6.564 1.00 0.00 C ATOM 0 H VAL A 59 3.894 0.551 8.817 1.00 0.00 H new ATOM 0 HA VAL A 59 3.962 -0.948 6.424 1.00 0.00 H new ATOM 0 HB VAL A 59 6.157 0.793 7.618 1.00 0.00 H new ATOM 0 HG11 VAL A 59 6.869 1.038 5.266 1.00 0.00 H new ATOM 0 HG12 VAL A 59 6.917 -0.662 5.790 1.00 0.00 H new ATOM 0 HG13 VAL A 59 5.584 -0.085 4.763 1.00 0.00 H new ATOM 0 HG21 VAL A 59 5.212 2.603 6.255 1.00 0.00 H new ATOM 0 HG22 VAL A 59 3.867 1.540 5.777 1.00 0.00 H new ATOM 0 HG23 VAL A 59 4.055 2.027 7.479 1.00 0.00 H new ATOM 939 N LEU A 60 5.855 -2.591 6.602 1.00 0.00 N ATOM 940 CA LEU A 60 6.729 -3.712 6.754 1.00 0.00 C ATOM 941 C LEU A 60 8.119 -3.338 6.259 1.00 0.00 C ATOM 942 O LEU A 60 8.298 -2.366 5.526 1.00 0.00 O ATOM 943 CB LEU A 60 6.172 -4.907 5.974 1.00 0.00 C ATOM 944 CG LEU A 60 5.624 -6.062 6.823 1.00 0.00 C ATOM 945 CD1 LEU A 60 4.943 -5.540 8.082 1.00 0.00 C ATOM 946 CD2 LEU A 60 4.652 -6.904 6.009 1.00 0.00 C ATOM 0 H LEU A 60 5.512 -2.459 5.651 1.00 0.00 H new ATOM 0 HA LEU A 60 6.798 -3.991 7.805 1.00 0.00 H new ATOM 0 HB2 LEU A 60 5.375 -4.551 5.321 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.961 -5.296 5.331 1.00 0.00 H new ATOM 0 HG LEU A 60 6.464 -6.687 7.125 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.564 -6.379 8.665 1.00 0.00 H new ATOM 0 HD12 LEU A 60 5.662 -4.979 8.679 1.00 0.00 H new ATOM 0 HD13 LEU A 60 4.115 -4.888 7.804 1.00 0.00 H new ATOM 0 HD21 LEU A 60 4.272 -7.719 6.625 1.00 0.00 H new ATOM 0 HD22 LEU A 60 3.821 -6.282 5.678 1.00 0.00 H new ATOM 0 HD23 LEU A 60 5.166 -7.315 5.140 1.00 0.00 H new ATOM 958 N SER A 61 9.087 -4.110 6.674 1.00 0.00 N ATOM 959 CA SER A 61 10.477 -3.886 6.295 1.00 0.00 C ATOM 960 C SER A 61 11.374 -4.991 6.842 1.00 0.00 C ATOM 961 O SER A 61 11.556 -5.049 8.075 1.00 0.00 O ATOM 962 CB SER A 61 10.954 -2.525 6.806 1.00 0.00 C ATOM 963 OG SER A 61 11.777 -1.881 5.848 1.00 0.00 O ATOM 964 OXT SER A 61 11.887 -5.789 6.029 1.00 0.00 O ATOM 0 H SER A 61 8.946 -4.915 7.285 1.00 0.00 H new ATOM 0 HA SER A 61 10.538 -3.899 5.207 1.00 0.00 H new ATOM 0 HB2 SER A 61 10.093 -1.896 7.032 1.00 0.00 H new ATOM 0 HB3 SER A 61 11.507 -2.656 7.736 1.00 0.00 H new ATOM 0 HG SER A 61 12.068 -1.013 6.197 1.00 0.00 H new TER 970 SER A 61