USER MOD reduce.3.24.130724 H: found=0, std=0, add=494, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 494 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 19 ASN : amide:sc= -7.95! C(o=-7.9!,f=-7!) USER MOD Set 1.2: A 55 ASN : amide:sc= 0.00339 K(o=-7.9,f=-7) USER MOD Single : A 1 LEU N :NH3+ -157:sc= -0.02 (180deg=-0.173) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 ASN : amide:sc= -0.969 X(o=-0.97,f=-1.1) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 TYR OH : rot 48:sc= 0.398 USER MOD Single : A 12 LYS NZ :NH3+ 158:sc= 0.178 (180deg=-0.0233) USER MOD Single : A 13 THR OG1 : rot 1:sc= -0.137 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 30:sc= -2.7! USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 MET CE :methyl -133:sc= -0.0724 (180deg=-1.82) USER MOD Single : A 26 MET CE :methyl 180:sc= -2.03! (180deg=-2.03!) USER MOD Single : A 29 THR OG1 : rot 180:sc= -2.23! USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 28:sc= 0.603 USER MOD Single : A 46 SER OG : rot 180:sc= -1.76 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot -95:sc=0.000786 USER MOD Single : A 56 THR OG1 : rot -17:sc= 0.866 USER MOD Single : A 60 ASN : amide:sc= -0.895 X(o=-0.89,f=-0.74!) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 13.878 6.305 1.211 1.00 0.00 N ATOM 2 CA LEU A 1 12.395 6.167 1.167 1.00 0.00 C ATOM 3 C LEU A 1 12.022 4.896 0.402 1.00 0.00 C ATOM 4 O LEU A 1 11.895 4.903 -0.807 1.00 0.00 O ATOM 5 CB LEU A 1 11.791 7.382 0.460 1.00 0.00 C ATOM 6 CG LEU A 1 11.835 8.590 1.396 1.00 0.00 C ATOM 7 CD1 LEU A 1 12.118 9.857 0.586 1.00 0.00 C ATOM 8 CD2 LEU A 1 10.487 8.731 2.106 1.00 0.00 C ATOM 0 H1 LEU A 1 14.147 6.904 2.018 1.00 0.00 H new ATOM 0 H2 LEU A 1 14.311 5.365 1.317 1.00 0.00 H new ATOM 0 H3 LEU A 1 14.212 6.742 0.329 1.00 0.00 H new ATOM 0 HA LEU A 1 12.006 6.106 2.184 1.00 0.00 H new ATOM 0 HB2 LEU A 1 12.344 7.596 -0.454 1.00 0.00 H new ATOM 0 HB3 LEU A 1 10.762 7.172 0.168 1.00 0.00 H new ATOM 0 HG LEU A 1 12.625 8.448 2.134 1.00 0.00 H new ATOM 0 HD11 LEU A 1 12.149 10.717 1.255 1.00 0.00 H new ATOM 0 HD12 LEU A 1 13.077 9.757 0.078 1.00 0.00 H new ATOM 0 HD13 LEU A 1 11.330 10.000 -0.153 1.00 0.00 H new ATOM 0 HD21 LEU A 1 10.516 9.592 2.774 1.00 0.00 H new ATOM 0 HD22 LEU A 1 9.699 8.872 1.366 1.00 0.00 H new ATOM 0 HD23 LEU A 1 10.284 7.830 2.684 1.00 0.00 H new ATOM 22 N LYS A 2 11.846 3.804 1.094 1.00 0.00 N ATOM 23 CA LYS A 2 11.483 2.537 0.400 1.00 0.00 C ATOM 24 C LYS A 2 10.710 1.627 1.354 1.00 0.00 C ATOM 25 O LYS A 2 11.129 1.375 2.467 1.00 0.00 O ATOM 26 CB LYS A 2 12.757 1.822 -0.056 1.00 0.00 C ATOM 27 CG LYS A 2 13.737 1.738 1.115 1.00 0.00 C ATOM 28 CD LYS A 2 14.779 0.654 0.833 1.00 0.00 C ATOM 29 CE LYS A 2 15.808 1.182 -0.168 1.00 0.00 C ATOM 30 NZ LYS A 2 16.080 0.138 -1.197 1.00 0.00 N ATOM 0 H LYS A 2 11.938 3.735 2.107 1.00 0.00 H new ATOM 0 HA LYS A 2 10.861 2.768 -0.464 1.00 0.00 H new ATOM 0 HB2 LYS A 2 12.517 0.822 -0.417 1.00 0.00 H new ATOM 0 HB3 LYS A 2 13.212 2.360 -0.888 1.00 0.00 H new ATOM 0 HG2 LYS A 2 14.228 2.700 1.261 1.00 0.00 H new ATOM 0 HG3 LYS A 2 13.201 1.511 2.036 1.00 0.00 H new ATOM 0 HD2 LYS A 2 15.274 0.361 1.759 1.00 0.00 H new ATOM 0 HD3 LYS A 2 14.293 -0.237 0.435 1.00 0.00 H new ATOM 0 HE2 LYS A 2 15.436 2.089 -0.644 1.00 0.00 H new ATOM 0 HE3 LYS A 2 16.730 1.448 0.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 16.780 0.496 -1.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 16.452 -0.716 -0.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 15.198 -0.095 -1.697 1.00 0.00 H new ATOM 44 N CYS A 3 9.587 1.124 0.924 1.00 0.00 N ATOM 45 CA CYS A 3 8.791 0.221 1.803 1.00 0.00 C ATOM 46 C CYS A 3 8.755 -1.177 1.181 1.00 0.00 C ATOM 47 O CYS A 3 9.481 -1.474 0.253 1.00 0.00 O ATOM 48 CB CYS A 3 7.349 0.740 1.975 1.00 0.00 C ATOM 49 SG CYS A 3 7.040 2.186 0.923 1.00 0.00 S ATOM 0 H CYS A 3 9.186 1.298 0.003 1.00 0.00 H new ATOM 0 HA CYS A 3 9.262 0.189 2.785 1.00 0.00 H new ATOM 0 HB2 CYS A 3 6.643 -0.052 1.725 1.00 0.00 H new ATOM 0 HB3 CYS A 3 7.177 1.003 3.019 1.00 0.00 H new ATOM 54 N ASN A 4 7.919 -2.040 1.687 1.00 0.00 N ATOM 55 CA ASN A 4 7.836 -3.420 1.130 1.00 0.00 C ATOM 56 C ASN A 4 6.623 -3.522 0.205 1.00 0.00 C ATOM 57 O ASN A 4 5.676 -2.770 0.326 1.00 0.00 O ATOM 58 CB ASN A 4 7.693 -4.424 2.278 1.00 0.00 C ATOM 59 CG ASN A 4 7.299 -5.791 1.717 1.00 0.00 C ATOM 60 OD1 ASN A 4 6.236 -6.299 2.014 1.00 0.00 O ATOM 61 ND2 ASN A 4 8.117 -6.415 0.913 1.00 0.00 N ATOM 0 H ASN A 4 7.287 -1.849 2.465 1.00 0.00 H new ATOM 0 HA ASN A 4 8.742 -3.642 0.565 1.00 0.00 H new ATOM 0 HB2 ASN A 4 8.632 -4.501 2.826 1.00 0.00 H new ATOM 0 HB3 ASN A 4 6.939 -4.079 2.985 1.00 0.00 H new ATOM 0 HD21 ASN A 4 7.863 -7.328 0.535 1.00 0.00 H new ATOM 0 HD22 ASN A 4 9.010 -5.990 0.663 1.00 0.00 H new ATOM 68 N LYS A 5 6.638 -4.443 -0.721 1.00 0.00 N ATOM 69 CA LYS A 5 5.479 -4.579 -1.645 1.00 0.00 C ATOM 70 C LYS A 5 4.731 -5.882 -1.352 1.00 0.00 C ATOM 71 O LYS A 5 5.249 -6.778 -0.716 1.00 0.00 O ATOM 72 CB LYS A 5 5.978 -4.588 -3.090 1.00 0.00 C ATOM 73 CG LYS A 5 5.191 -3.559 -3.904 1.00 0.00 C ATOM 74 CD LYS A 5 6.034 -3.088 -5.091 1.00 0.00 C ATOM 75 CE LYS A 5 5.962 -4.126 -6.211 1.00 0.00 C ATOM 76 NZ LYS A 5 7.086 -3.905 -7.165 1.00 0.00 N ATOM 0 H LYS A 5 7.400 -5.103 -0.876 1.00 0.00 H new ATOM 0 HA LYS A 5 4.802 -3.738 -1.499 1.00 0.00 H new ATOM 0 HB2 LYS A 5 7.042 -4.356 -3.121 1.00 0.00 H new ATOM 0 HB3 LYS A 5 5.856 -5.581 -3.523 1.00 0.00 H new ATOM 0 HG2 LYS A 5 4.258 -3.998 -4.259 1.00 0.00 H new ATOM 0 HG3 LYS A 5 4.925 -2.710 -3.275 1.00 0.00 H new ATOM 0 HD2 LYS A 5 5.671 -2.125 -5.449 1.00 0.00 H new ATOM 0 HD3 LYS A 5 7.069 -2.943 -4.781 1.00 0.00 H new ATOM 0 HE2 LYS A 5 6.017 -5.131 -5.794 1.00 0.00 H new ATOM 0 HE3 LYS A 5 5.008 -4.049 -6.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 7.038 -4.611 -7.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 7.014 -2.951 -7.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 7.992 -3.999 -6.662 1.00 0.00 H new ATOM 90 N LEU A 6 3.515 -5.998 -1.817 1.00 0.00 N ATOM 91 CA LEU A 6 2.737 -7.244 -1.571 1.00 0.00 C ATOM 92 C LEU A 6 3.110 -8.274 -2.632 1.00 0.00 C ATOM 93 O LEU A 6 3.307 -9.438 -2.346 1.00 0.00 O ATOM 94 CB LEU A 6 1.241 -6.941 -1.662 1.00 0.00 C ATOM 95 CG LEU A 6 0.470 -7.889 -0.741 1.00 0.00 C ATOM 96 CD1 LEU A 6 0.905 -9.332 -1.008 1.00 0.00 C ATOM 97 CD2 LEU A 6 0.764 -7.530 0.718 1.00 0.00 C ATOM 0 H LEU A 6 3.028 -5.282 -2.357 1.00 0.00 H new ATOM 0 HA LEU A 6 2.965 -7.632 -0.578 1.00 0.00 H new ATOM 0 HB2 LEU A 6 1.051 -5.906 -1.377 1.00 0.00 H new ATOM 0 HB3 LEU A 6 0.898 -7.057 -2.690 1.00 0.00 H new ATOM 0 HG LEU A 6 -0.598 -7.792 -0.934 1.00 0.00 H new ATOM 0 HD11 LEU A 6 0.355 -10.005 -0.351 1.00 0.00 H new ATOM 0 HD12 LEU A 6 0.697 -9.588 -2.047 1.00 0.00 H new ATOM 0 HD13 LEU A 6 1.973 -9.431 -0.817 1.00 0.00 H new ATOM 0 HD21 LEU A 6 0.216 -8.204 1.376 1.00 0.00 H new ATOM 0 HD22 LEU A 6 1.833 -7.627 0.908 1.00 0.00 H new ATOM 0 HD23 LEU A 6 0.453 -6.503 0.910 1.00 0.00 H new ATOM 109 N VAL A 7 3.214 -7.847 -3.858 1.00 0.00 N ATOM 110 CA VAL A 7 3.580 -8.787 -4.948 1.00 0.00 C ATOM 111 C VAL A 7 4.739 -9.673 -4.465 1.00 0.00 C ATOM 112 O VAL A 7 5.369 -9.366 -3.473 1.00 0.00 O ATOM 113 CB VAL A 7 3.972 -7.965 -6.197 1.00 0.00 C ATOM 114 CG1 VAL A 7 5.463 -8.120 -6.534 1.00 0.00 C ATOM 115 CG2 VAL A 7 3.131 -8.431 -7.386 1.00 0.00 C ATOM 0 H VAL A 7 3.060 -6.882 -4.152 1.00 0.00 H new ATOM 0 HA VAL A 7 2.743 -9.434 -5.212 1.00 0.00 H new ATOM 0 HB VAL A 7 3.785 -6.912 -5.985 1.00 0.00 H new ATOM 0 HG11 VAL A 7 5.700 -7.527 -7.418 1.00 0.00 H new ATOM 0 HG12 VAL A 7 6.064 -7.774 -5.693 1.00 0.00 H new ATOM 0 HG13 VAL A 7 5.684 -9.169 -6.731 1.00 0.00 H new ATOM 0 HG21 VAL A 7 3.402 -7.855 -8.271 1.00 0.00 H new ATOM 0 HG22 VAL A 7 3.316 -9.489 -7.570 1.00 0.00 H new ATOM 0 HG23 VAL A 7 2.074 -8.281 -7.165 1.00 0.00 H new ATOM 125 N PRO A 8 4.985 -10.741 -5.180 1.00 0.00 N ATOM 126 CA PRO A 8 6.067 -11.680 -4.844 1.00 0.00 C ATOM 127 C PRO A 8 7.412 -11.095 -5.278 1.00 0.00 C ATOM 128 O PRO A 8 8.015 -11.537 -6.235 1.00 0.00 O ATOM 129 CB PRO A 8 5.722 -12.934 -5.650 1.00 0.00 C ATOM 130 CG PRO A 8 4.810 -12.468 -6.809 1.00 0.00 C ATOM 131 CD PRO A 8 4.213 -11.113 -6.384 1.00 0.00 C ATOM 0 HA PRO A 8 6.151 -11.886 -3.777 1.00 0.00 H new ATOM 0 HB2 PRO A 8 6.624 -13.411 -6.033 1.00 0.00 H new ATOM 0 HB3 PRO A 8 5.213 -13.669 -5.026 1.00 0.00 H new ATOM 0 HG2 PRO A 8 5.379 -12.367 -7.733 1.00 0.00 H new ATOM 0 HG3 PRO A 8 4.021 -13.196 -6.998 1.00 0.00 H new ATOM 0 HD2 PRO A 8 4.318 -10.367 -7.171 1.00 0.00 H new ATOM 0 HD3 PRO A 8 3.149 -11.197 -6.165 1.00 0.00 H new ATOM 139 N LEU A 9 7.882 -10.097 -4.580 1.00 0.00 N ATOM 140 CA LEU A 9 9.179 -9.475 -4.948 1.00 0.00 C ATOM 141 C LEU A 9 9.901 -9.019 -3.669 1.00 0.00 C ATOM 142 O LEU A 9 10.370 -9.835 -2.903 1.00 0.00 O ATOM 143 CB LEU A 9 8.918 -8.289 -5.884 1.00 0.00 C ATOM 144 CG LEU A 9 10.236 -7.816 -6.495 1.00 0.00 C ATOM 145 CD1 LEU A 9 10.156 -7.917 -8.020 1.00 0.00 C ATOM 146 CD2 LEU A 9 10.493 -6.362 -6.093 1.00 0.00 C ATOM 0 H LEU A 9 7.420 -9.687 -3.769 1.00 0.00 H new ATOM 0 HA LEU A 9 9.813 -10.194 -5.466 1.00 0.00 H new ATOM 0 HB2 LEU A 9 8.225 -8.581 -6.673 1.00 0.00 H new ATOM 0 HB3 LEU A 9 8.449 -7.474 -5.333 1.00 0.00 H new ATOM 0 HG LEU A 9 11.050 -8.442 -6.131 1.00 0.00 H new ATOM 0 HD11 LEU A 9 11.096 -7.580 -8.457 1.00 0.00 H new ATOM 0 HD12 LEU A 9 9.973 -8.953 -8.307 1.00 0.00 H new ATOM 0 HD13 LEU A 9 9.341 -7.291 -8.384 1.00 0.00 H new ATOM 0 HD21 LEU A 9 11.433 -6.025 -6.529 1.00 0.00 H new ATOM 0 HD22 LEU A 9 9.679 -5.735 -6.456 1.00 0.00 H new ATOM 0 HD23 LEU A 9 10.550 -6.289 -5.007 1.00 0.00 H new ATOM 158 N PHE A 10 10.002 -7.736 -3.423 1.00 0.00 N ATOM 159 CA PHE A 10 10.703 -7.276 -2.188 1.00 0.00 C ATOM 160 C PHE A 10 10.287 -5.836 -1.865 1.00 0.00 C ATOM 161 O PHE A 10 9.184 -5.415 -2.163 1.00 0.00 O ATOM 162 CB PHE A 10 12.215 -7.339 -2.427 1.00 0.00 C ATOM 163 CG PHE A 10 12.892 -8.078 -1.295 1.00 0.00 C ATOM 164 CD1 PHE A 10 12.273 -9.191 -0.708 1.00 0.00 C ATOM 165 CD2 PHE A 10 14.146 -7.654 -0.836 1.00 0.00 C ATOM 166 CE1 PHE A 10 12.907 -9.876 0.334 1.00 0.00 C ATOM 167 CE2 PHE A 10 14.780 -8.342 0.205 1.00 0.00 C ATOM 168 CZ PHE A 10 14.160 -9.451 0.791 1.00 0.00 C ATOM 0 H PHE A 10 9.633 -6.995 -4.019 1.00 0.00 H new ATOM 0 HA PHE A 10 10.436 -7.917 -1.348 1.00 0.00 H new ATOM 0 HB2 PHE A 10 12.420 -7.840 -3.373 1.00 0.00 H new ATOM 0 HB3 PHE A 10 12.620 -6.330 -2.506 1.00 0.00 H new ATOM 0 HD1 PHE A 10 11.306 -9.519 -1.061 1.00 0.00 H new ATOM 0 HD2 PHE A 10 14.624 -6.796 -1.286 1.00 0.00 H new ATOM 0 HE1 PHE A 10 12.430 -10.733 0.786 1.00 0.00 H new ATOM 0 HE2 PHE A 10 15.748 -8.017 0.556 1.00 0.00 H new ATOM 0 HZ PHE A 10 14.648 -9.979 1.596 1.00 0.00 H new ATOM 178 N TYR A 11 11.161 -5.073 -1.264 1.00 0.00 N ATOM 179 CA TYR A 11 10.813 -3.661 -0.941 1.00 0.00 C ATOM 180 C TYR A 11 11.451 -2.750 -1.988 1.00 0.00 C ATOM 181 O TYR A 11 12.478 -3.067 -2.555 1.00 0.00 O ATOM 182 CB TYR A 11 11.323 -3.275 0.458 1.00 0.00 C ATOM 183 CG TYR A 11 12.313 -4.298 0.974 1.00 0.00 C ATOM 184 CD1 TYR A 11 11.871 -5.565 1.373 1.00 0.00 C ATOM 185 CD2 TYR A 11 13.672 -3.970 1.064 1.00 0.00 C ATOM 186 CE1 TYR A 11 12.789 -6.505 1.860 1.00 0.00 C ATOM 187 CE2 TYR A 11 14.588 -4.909 1.553 1.00 0.00 C ATOM 188 CZ TYR A 11 14.147 -6.176 1.950 1.00 0.00 C ATOM 189 OH TYR A 11 15.051 -7.100 2.435 1.00 0.00 O ATOM 0 H TYR A 11 12.097 -5.366 -0.984 1.00 0.00 H new ATOM 0 HA TYR A 11 9.729 -3.550 -0.949 1.00 0.00 H new ATOM 0 HB2 TYR A 11 11.795 -2.293 0.419 1.00 0.00 H new ATOM 0 HB3 TYR A 11 10.482 -3.197 1.147 1.00 0.00 H new ATOM 0 HD1 TYR A 11 10.823 -5.818 1.306 1.00 0.00 H new ATOM 0 HD2 TYR A 11 14.013 -2.993 0.756 1.00 0.00 H new ATOM 0 HE1 TYR A 11 12.449 -7.483 2.166 1.00 0.00 H new ATOM 0 HE2 TYR A 11 15.635 -4.655 1.624 1.00 0.00 H new ATOM 0 HH TYR A 11 14.904 -7.963 1.995 1.00 0.00 H new ATOM 199 N LYS A 12 10.847 -1.627 -2.263 1.00 0.00 N ATOM 200 CA LYS A 12 11.425 -0.714 -3.291 1.00 0.00 C ATOM 201 C LYS A 12 11.399 0.732 -2.789 1.00 0.00 C ATOM 202 O LYS A 12 10.797 1.040 -1.780 1.00 0.00 O ATOM 203 CB LYS A 12 10.601 -0.820 -4.575 1.00 0.00 C ATOM 204 CG LYS A 12 9.159 -0.397 -4.287 1.00 0.00 C ATOM 205 CD LYS A 12 8.517 0.138 -5.568 1.00 0.00 C ATOM 206 CE LYS A 12 7.815 1.464 -5.272 1.00 0.00 C ATOM 207 NZ LYS A 12 8.232 2.478 -6.279 1.00 0.00 N ATOM 0 H LYS A 12 9.985 -1.303 -1.825 1.00 0.00 H new ATOM 0 HA LYS A 12 12.458 -1.002 -3.485 1.00 0.00 H new ATOM 0 HB2 LYS A 12 11.031 -0.185 -5.350 1.00 0.00 H new ATOM 0 HB3 LYS A 12 10.624 -1.842 -4.952 1.00 0.00 H new ATOM 0 HG2 LYS A 12 8.589 -1.246 -3.909 1.00 0.00 H new ATOM 0 HG3 LYS A 12 9.142 0.369 -3.512 1.00 0.00 H new ATOM 0 HD2 LYS A 12 9.277 0.280 -6.336 1.00 0.00 H new ATOM 0 HD3 LYS A 12 7.801 -0.585 -5.958 1.00 0.00 H new ATOM 0 HE2 LYS A 12 6.734 1.330 -5.300 1.00 0.00 H new ATOM 0 HE3 LYS A 12 8.068 1.806 -4.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 7.518 3.233 -6.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 9.148 2.885 -6.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 8.321 2.025 -7.211 1.00 0.00 H new ATOM 221 N THR A 13 12.050 1.622 -3.493 1.00 0.00 N ATOM 222 CA THR A 13 12.065 3.050 -3.065 1.00 0.00 C ATOM 223 C THR A 13 11.134 3.862 -3.969 1.00 0.00 C ATOM 224 O THR A 13 11.013 3.596 -5.148 1.00 0.00 O ATOM 225 CB THR A 13 13.493 3.601 -3.168 1.00 0.00 C ATOM 226 OG1 THR A 13 13.586 4.807 -2.423 1.00 0.00 O ATOM 227 CG2 THR A 13 13.840 3.879 -4.634 1.00 0.00 C ATOM 0 H THR A 13 12.572 1.420 -4.346 1.00 0.00 H new ATOM 0 HA THR A 13 11.723 3.125 -2.033 1.00 0.00 H new ATOM 0 HB THR A 13 14.192 2.866 -2.768 1.00 0.00 H new ATOM 0 HG1 THR A 13 12.722 5.000 -2.004 1.00 0.00 H new ATOM 0 HG21 THR A 13 14.855 4.270 -4.700 1.00 0.00 H new ATOM 0 HG22 THR A 13 13.770 2.954 -5.206 1.00 0.00 H new ATOM 0 HG23 THR A 13 13.142 4.611 -5.041 1.00 0.00 H new ATOM 235 N CYS A 14 10.484 4.857 -3.430 1.00 0.00 N ATOM 236 CA CYS A 14 9.575 5.686 -4.269 1.00 0.00 C ATOM 237 C CYS A 14 9.774 7.168 -3.934 1.00 0.00 C ATOM 238 O CYS A 14 8.835 7.850 -3.576 1.00 0.00 O ATOM 239 CB CYS A 14 8.123 5.291 -3.994 1.00 0.00 C ATOM 240 SG CYS A 14 7.721 5.636 -2.263 1.00 0.00 S ATOM 0 H CYS A 14 10.543 5.130 -2.449 1.00 0.00 H new ATOM 0 HA CYS A 14 9.804 5.519 -5.322 1.00 0.00 H new ATOM 0 HB2 CYS A 14 7.453 5.846 -4.651 1.00 0.00 H new ATOM 0 HB3 CYS A 14 7.976 4.232 -4.209 1.00 0.00 H new ATOM 245 N PRO A 15 10.994 7.625 -4.069 1.00 0.00 N ATOM 246 CA PRO A 15 11.349 9.029 -3.795 1.00 0.00 C ATOM 247 C PRO A 15 10.918 9.915 -4.964 1.00 0.00 C ATOM 248 O PRO A 15 10.041 10.747 -4.841 1.00 0.00 O ATOM 249 CB PRO A 15 12.873 8.998 -3.672 1.00 0.00 C ATOM 250 CG PRO A 15 13.345 7.735 -4.431 1.00 0.00 C ATOM 251 CD PRO A 15 12.133 6.788 -4.503 1.00 0.00 C ATOM 0 HA PRO A 15 10.865 9.431 -2.905 1.00 0.00 H new ATOM 0 HB2 PRO A 15 13.316 9.897 -4.100 1.00 0.00 H new ATOM 0 HB3 PRO A 15 13.178 8.960 -2.626 1.00 0.00 H new ATOM 0 HG2 PRO A 15 13.696 7.992 -5.430 1.00 0.00 H new ATOM 0 HG3 PRO A 15 14.178 7.260 -3.913 1.00 0.00 H new ATOM 0 HD2 PRO A 15 11.985 6.406 -5.513 1.00 0.00 H new ATOM 0 HD3 PRO A 15 12.263 5.924 -3.852 1.00 0.00 H new ATOM 259 N ALA A 16 11.528 9.734 -6.101 1.00 0.00 N ATOM 260 CA ALA A 16 11.157 10.555 -7.286 1.00 0.00 C ATOM 261 C ALA A 16 9.934 9.935 -7.963 1.00 0.00 C ATOM 262 O ALA A 16 9.281 10.558 -8.778 1.00 0.00 O ATOM 263 CB ALA A 16 12.327 10.588 -8.272 1.00 0.00 C ATOM 0 H ALA A 16 12.269 9.052 -6.261 1.00 0.00 H new ATOM 0 HA ALA A 16 10.924 11.572 -6.970 1.00 0.00 H new ATOM 0 HB1 ALA A 16 12.055 11.189 -9.140 1.00 0.00 H new ATOM 0 HB2 ALA A 16 13.200 11.025 -7.787 1.00 0.00 H new ATOM 0 HB3 ALA A 16 12.561 9.573 -8.593 1.00 0.00 H new ATOM 269 N GLY A 17 9.617 8.712 -7.632 1.00 0.00 N ATOM 270 CA GLY A 17 8.434 8.053 -8.255 1.00 0.00 C ATOM 271 C GLY A 17 7.173 8.425 -7.471 1.00 0.00 C ATOM 272 O GLY A 17 6.224 8.953 -8.016 1.00 0.00 O ATOM 0 H GLY A 17 10.126 8.141 -6.957 1.00 0.00 H new ATOM 0 HA2 GLY A 17 8.335 8.366 -9.294 1.00 0.00 H new ATOM 0 HA3 GLY A 17 8.567 6.971 -8.259 1.00 0.00 H new ATOM 276 N LYS A 18 7.156 8.153 -6.194 1.00 0.00 N ATOM 277 CA LYS A 18 5.956 8.491 -5.376 1.00 0.00 C ATOM 278 C LYS A 18 6.376 9.351 -4.182 1.00 0.00 C ATOM 279 O LYS A 18 7.315 10.117 -4.261 1.00 0.00 O ATOM 280 CB LYS A 18 5.298 7.205 -4.877 1.00 0.00 C ATOM 281 CG LYS A 18 5.147 6.229 -6.045 1.00 0.00 C ATOM 282 CD LYS A 18 3.708 6.272 -6.563 1.00 0.00 C ATOM 283 CE LYS A 18 3.461 7.601 -7.280 1.00 0.00 C ATOM 284 NZ LYS A 18 2.499 7.391 -8.398 1.00 0.00 N ATOM 0 H LYS A 18 7.920 7.712 -5.682 1.00 0.00 H new ATOM 0 HA LYS A 18 5.245 9.046 -5.988 1.00 0.00 H new ATOM 0 HB2 LYS A 18 5.902 6.756 -4.089 1.00 0.00 H new ATOM 0 HB3 LYS A 18 4.322 7.426 -4.444 1.00 0.00 H new ATOM 0 HG2 LYS A 18 5.840 6.491 -6.844 1.00 0.00 H new ATOM 0 HG3 LYS A 18 5.399 5.218 -5.723 1.00 0.00 H new ATOM 0 HD2 LYS A 18 3.531 5.441 -7.245 1.00 0.00 H new ATOM 0 HD3 LYS A 18 3.009 6.159 -5.735 1.00 0.00 H new ATOM 0 HE2 LYS A 18 3.066 8.336 -6.579 1.00 0.00 H new ATOM 0 HE3 LYS A 18 4.400 7.999 -7.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 2.331 8.294 -8.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 2.893 6.703 -9.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 1.600 7.029 -8.019 1.00 0.00 H new ATOM 298 N ASN A 19 5.685 9.242 -3.078 1.00 0.00 N ATOM 299 CA ASN A 19 6.057 10.074 -1.896 1.00 0.00 C ATOM 300 C ASN A 19 5.801 9.309 -0.581 1.00 0.00 C ATOM 301 O ASN A 19 6.364 9.637 0.445 1.00 0.00 O ATOM 302 CB ASN A 19 5.256 11.397 -1.948 1.00 0.00 C ATOM 303 CG ASN A 19 4.407 11.597 -0.685 1.00 0.00 C ATOM 304 OD1 ASN A 19 4.920 11.574 0.416 1.00 0.00 O ATOM 305 ND2 ASN A 19 3.124 11.796 -0.804 1.00 0.00 N ATOM 0 H ASN A 19 4.888 8.620 -2.944 1.00 0.00 H new ATOM 0 HA ASN A 19 7.123 10.301 -1.927 1.00 0.00 H new ATOM 0 HB2 ASN A 19 5.944 12.235 -2.060 1.00 0.00 H new ATOM 0 HB3 ASN A 19 4.609 11.396 -2.825 1.00 0.00 H new ATOM 0 HD21 ASN A 19 2.550 11.933 0.028 1.00 0.00 H new ATOM 0 HD22 ASN A 19 2.695 11.815 -1.729 1.00 0.00 H new ATOM 312 N LEU A 20 4.957 8.308 -0.585 1.00 0.00 N ATOM 313 CA LEU A 20 4.691 7.569 0.685 1.00 0.00 C ATOM 314 C LEU A 20 4.314 6.118 0.386 1.00 0.00 C ATOM 315 O LEU A 20 4.279 5.692 -0.751 1.00 0.00 O ATOM 316 CB LEU A 20 3.533 8.243 1.418 1.00 0.00 C ATOM 317 CG LEU A 20 2.264 8.127 0.571 1.00 0.00 C ATOM 318 CD1 LEU A 20 1.050 7.960 1.486 1.00 0.00 C ATOM 319 CD2 LEU A 20 2.098 9.393 -0.273 1.00 0.00 C ATOM 0 H LEU A 20 4.446 7.974 -1.402 1.00 0.00 H new ATOM 0 HA LEU A 20 5.590 7.583 1.301 1.00 0.00 H new ATOM 0 HB2 LEU A 20 3.380 7.774 2.390 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.766 9.292 1.604 1.00 0.00 H new ATOM 0 HG LEU A 20 2.344 7.260 -0.085 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.147 7.878 0.881 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.168 7.058 2.086 1.00 0.00 H new ATOM 0 HD13 LEU A 20 0.968 8.825 2.144 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.194 9.312 -0.877 1.00 0.00 H new ATOM 0 HD22 LEU A 20 2.019 10.260 0.383 1.00 0.00 H new ATOM 0 HD23 LEU A 20 2.962 9.510 -0.927 1.00 0.00 H new ATOM 331 N CYS A 21 4.017 5.360 1.408 1.00 0.00 N ATOM 332 CA CYS A 21 3.620 3.944 1.201 1.00 0.00 C ATOM 333 C CYS A 21 2.125 3.822 1.477 1.00 0.00 C ATOM 334 O CYS A 21 1.555 4.625 2.184 1.00 0.00 O ATOM 335 CB CYS A 21 4.403 3.037 2.155 1.00 0.00 C ATOM 336 SG CYS A 21 6.150 3.519 2.155 1.00 0.00 S ATOM 0 H CYS A 21 4.034 5.666 2.381 1.00 0.00 H new ATOM 0 HA CYS A 21 3.839 3.639 0.178 1.00 0.00 H new ATOM 0 HB2 CYS A 21 3.994 3.113 3.163 1.00 0.00 H new ATOM 0 HB3 CYS A 21 4.302 1.996 1.848 1.00 0.00 H new ATOM 341 N TYR A 22 1.476 2.841 0.919 1.00 0.00 N ATOM 342 CA TYR A 22 0.014 2.706 1.157 1.00 0.00 C ATOM 343 C TYR A 22 -0.416 1.248 0.980 1.00 0.00 C ATOM 344 O TYR A 22 0.057 0.549 0.105 1.00 0.00 O ATOM 345 CB TYR A 22 -0.743 3.591 0.161 1.00 0.00 C ATOM 346 CG TYR A 22 -0.755 2.933 -1.200 1.00 0.00 C ATOM 347 CD1 TYR A 22 0.438 2.785 -1.916 1.00 0.00 C ATOM 348 CD2 TYR A 22 -1.961 2.469 -1.741 1.00 0.00 C ATOM 349 CE1 TYR A 22 0.426 2.171 -3.174 1.00 0.00 C ATOM 350 CE2 TYR A 22 -1.972 1.856 -2.999 1.00 0.00 C ATOM 351 CZ TYR A 22 -0.779 1.707 -3.715 1.00 0.00 C ATOM 352 OH TYR A 22 -0.791 1.101 -4.955 1.00 0.00 O ATOM 0 H TYR A 22 1.890 2.132 0.313 1.00 0.00 H new ATOM 0 HA TYR A 22 -0.215 3.019 2.176 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -1.764 3.752 0.506 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -0.269 4.571 0.098 1.00 0.00 H new ATOM 0 HD1 TYR A 22 1.367 3.144 -1.499 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -2.881 2.584 -1.188 1.00 0.00 H new ATOM 0 HE1 TYR A 22 1.346 2.055 -3.727 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -2.901 1.498 -3.417 1.00 0.00 H new ATOM 0 HH TYR A 22 0.066 0.651 -5.107 1.00 0.00 H new ATOM 362 N LYS A 23 -1.324 0.794 1.797 1.00 0.00 N ATOM 363 CA LYS A 23 -1.807 -0.607 1.675 1.00 0.00 C ATOM 364 C LYS A 23 -3.314 -0.582 1.421 1.00 0.00 C ATOM 365 O LYS A 23 -4.047 0.136 2.068 1.00 0.00 O ATOM 366 CB LYS A 23 -1.496 -1.383 2.964 1.00 0.00 C ATOM 367 CG LYS A 23 -2.483 -1.008 4.075 1.00 0.00 C ATOM 368 CD LYS A 23 -2.353 -2.014 5.223 1.00 0.00 C ATOM 369 CE LYS A 23 -2.124 -1.271 6.540 1.00 0.00 C ATOM 370 NZ LYS A 23 -2.082 -2.250 7.664 1.00 0.00 N ATOM 0 H LYS A 23 -1.754 1.336 2.547 1.00 0.00 H new ATOM 0 HA LYS A 23 -1.303 -1.105 0.846 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -1.549 -2.454 2.771 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -0.478 -1.167 3.287 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -2.279 0.001 4.434 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -3.502 -1.009 3.688 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -3.255 -2.622 5.290 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -1.524 -2.695 5.030 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -1.190 -0.712 6.496 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -2.922 -0.547 6.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -1.926 -1.744 8.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -2.984 -2.765 7.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -1.306 -2.925 7.508 1.00 0.00 H new ATOM 384 N MET A 24 -3.782 -1.350 0.478 1.00 0.00 N ATOM 385 CA MET A 24 -5.242 -1.359 0.184 1.00 0.00 C ATOM 386 C MET A 24 -5.821 -2.712 0.586 1.00 0.00 C ATOM 387 O MET A 24 -5.564 -3.716 -0.051 1.00 0.00 O ATOM 388 CB MET A 24 -5.466 -1.132 -1.312 1.00 0.00 C ATOM 389 CG MET A 24 -5.153 0.324 -1.663 1.00 0.00 C ATOM 390 SD MET A 24 -6.116 0.813 -3.116 1.00 0.00 S ATOM 391 CE MET A 24 -7.570 1.429 -2.232 1.00 0.00 C ATOM 0 H MET A 24 -3.218 -1.971 -0.102 1.00 0.00 H new ATOM 0 HA MET A 24 -5.735 -0.565 0.745 1.00 0.00 H new ATOM 0 HB2 MET A 24 -4.829 -1.801 -1.891 1.00 0.00 H new ATOM 0 HB3 MET A 24 -6.497 -1.366 -1.575 1.00 0.00 H new ATOM 0 HG2 MET A 24 -5.392 0.972 -0.820 1.00 0.00 H new ATOM 0 HG3 MET A 24 -4.088 0.440 -1.863 1.00 0.00 H new ATOM 0 HE1 MET A 24 -8.473 1.028 -2.692 1.00 0.00 H new ATOM 0 HE2 MET A 24 -7.523 1.113 -1.190 1.00 0.00 H new ATOM 0 HE3 MET A 24 -7.591 2.518 -2.281 1.00 0.00 H new ATOM 401 N PHE A 25 -6.589 -2.745 1.645 1.00 0.00 N ATOM 402 CA PHE A 25 -7.182 -4.034 2.109 1.00 0.00 C ATOM 403 C PHE A 25 -8.681 -4.065 1.799 1.00 0.00 C ATOM 404 O PHE A 25 -9.398 -3.130 2.077 1.00 0.00 O ATOM 405 CB PHE A 25 -7.003 -4.156 3.624 1.00 0.00 C ATOM 406 CG PHE A 25 -5.700 -4.847 3.943 1.00 0.00 C ATOM 407 CD1 PHE A 25 -4.507 -4.115 3.973 1.00 0.00 C ATOM 408 CD2 PHE A 25 -5.687 -6.218 4.221 1.00 0.00 C ATOM 409 CE1 PHE A 25 -3.301 -4.755 4.281 1.00 0.00 C ATOM 410 CE2 PHE A 25 -4.481 -6.859 4.527 1.00 0.00 C ATOM 411 CZ PHE A 25 -3.288 -6.127 4.558 1.00 0.00 C ATOM 0 H PHE A 25 -6.831 -1.931 2.210 1.00 0.00 H new ATOM 0 HA PHE A 25 -6.682 -4.856 1.596 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -7.019 -3.166 4.080 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -7.834 -4.717 4.051 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -4.517 -3.057 3.758 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -6.608 -6.782 4.199 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -2.381 -4.190 4.305 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -4.471 -7.918 4.739 1.00 0.00 H new ATOM 0 HZ PHE A 25 -2.357 -6.621 4.796 1.00 0.00 H new ATOM 421 N MET A 26 -9.164 -5.141 1.248 1.00 0.00 N ATOM 422 CA MET A 26 -10.620 -5.235 0.951 1.00 0.00 C ATOM 423 C MET A 26 -11.289 -6.076 2.044 1.00 0.00 C ATOM 424 O MET A 26 -10.704 -7.013 2.570 1.00 0.00 O ATOM 425 CB MET A 26 -10.826 -5.907 -0.408 1.00 0.00 C ATOM 426 CG MET A 26 -12.321 -6.118 -0.652 1.00 0.00 C ATOM 427 SD MET A 26 -12.578 -6.742 -2.332 1.00 0.00 S ATOM 428 CE MET A 26 -13.512 -5.324 -2.958 1.00 0.00 C ATOM 0 H MET A 26 -8.614 -5.960 0.990 1.00 0.00 H new ATOM 0 HA MET A 26 -11.059 -4.238 0.925 1.00 0.00 H new ATOM 0 HB2 MET A 26 -10.401 -5.289 -1.199 1.00 0.00 H new ATOM 0 HB3 MET A 26 -10.304 -6.863 -0.436 1.00 0.00 H new ATOM 0 HG2 MET A 26 -12.723 -6.824 0.075 1.00 0.00 H new ATOM 0 HG3 MET A 26 -12.858 -5.180 -0.515 1.00 0.00 H new ATOM 0 HE1 MET A 26 -13.780 -5.497 -4.000 1.00 0.00 H new ATOM 0 HE2 MET A 26 -14.418 -5.195 -2.366 1.00 0.00 H new ATOM 0 HE3 MET A 26 -12.901 -4.425 -2.885 1.00 0.00 H new ATOM 438 N VAL A 27 -12.503 -5.742 2.395 1.00 0.00 N ATOM 439 CA VAL A 27 -13.214 -6.507 3.459 1.00 0.00 C ATOM 440 C VAL A 27 -14.595 -6.939 2.957 1.00 0.00 C ATOM 441 O VAL A 27 -15.401 -7.454 3.706 1.00 0.00 O ATOM 442 CB VAL A 27 -13.384 -5.621 4.694 1.00 0.00 C ATOM 443 CG1 VAL A 27 -13.985 -6.445 5.834 1.00 0.00 C ATOM 444 CG2 VAL A 27 -12.021 -5.076 5.126 1.00 0.00 C ATOM 0 H VAL A 27 -13.033 -4.971 1.989 1.00 0.00 H new ATOM 0 HA VAL A 27 -12.629 -7.391 3.714 1.00 0.00 H new ATOM 0 HB VAL A 27 -14.048 -4.790 4.454 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -14.106 -5.814 6.714 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -14.957 -6.833 5.529 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -13.321 -7.276 6.072 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -12.144 -4.445 6.006 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -11.356 -5.906 5.365 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -11.591 -4.488 4.315 1.00 0.00 H new ATOM 454 N ALA A 28 -14.881 -6.734 1.699 1.00 0.00 N ATOM 455 CA ALA A 28 -16.215 -7.139 1.169 1.00 0.00 C ATOM 456 C ALA A 28 -16.549 -8.544 1.671 1.00 0.00 C ATOM 457 O ALA A 28 -17.677 -8.845 2.006 1.00 0.00 O ATOM 458 CB ALA A 28 -16.184 -7.135 -0.360 1.00 0.00 C ATOM 0 H ALA A 28 -14.253 -6.306 1.019 1.00 0.00 H new ATOM 0 HA ALA A 28 -16.974 -6.436 1.513 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -17.160 -7.431 -0.744 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -15.942 -6.134 -0.716 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -15.428 -7.837 -0.710 1.00 0.00 H new ATOM 464 N THR A 29 -15.568 -9.400 1.740 1.00 0.00 N ATOM 465 CA THR A 29 -15.816 -10.783 2.238 1.00 0.00 C ATOM 466 C THR A 29 -14.488 -11.395 2.708 1.00 0.00 C ATOM 467 O THR A 29 -14.363 -11.736 3.866 1.00 0.00 O ATOM 468 CB THR A 29 -16.471 -11.661 1.154 1.00 0.00 C ATOM 469 OG1 THR A 29 -15.686 -12.827 0.942 1.00 0.00 O ATOM 470 CG2 THR A 29 -16.617 -10.879 -0.159 1.00 0.00 C ATOM 0 H THR A 29 -14.604 -9.202 1.473 1.00 0.00 H new ATOM 0 HA THR A 29 -16.511 -10.737 3.077 1.00 0.00 H new ATOM 0 HB THR A 29 -17.465 -11.953 1.493 1.00 0.00 H new ATOM 0 HG1 THR A 29 -16.106 -13.384 0.254 1.00 0.00 H new ATOM 0 HG21 THR A 29 -17.081 -11.516 -0.912 1.00 0.00 H new ATOM 0 HG22 THR A 29 -17.240 -10.001 0.008 1.00 0.00 H new ATOM 0 HG23 THR A 29 -15.633 -10.565 -0.507 1.00 0.00 H new ATOM 478 N PRO A 30 -13.519 -11.502 1.821 1.00 0.00 N ATOM 479 CA PRO A 30 -12.205 -12.048 2.184 1.00 0.00 C ATOM 480 C PRO A 30 -11.362 -10.949 2.835 1.00 0.00 C ATOM 481 O PRO A 30 -10.739 -10.155 2.160 1.00 0.00 O ATOM 482 CB PRO A 30 -11.598 -12.465 0.845 1.00 0.00 C ATOM 483 CG PRO A 30 -12.314 -11.623 -0.235 1.00 0.00 C ATOM 484 CD PRO A 30 -13.625 -11.111 0.396 1.00 0.00 C ATOM 0 HA PRO A 30 -12.259 -12.876 2.891 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -10.523 -12.283 0.831 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -11.743 -13.531 0.667 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -11.687 -10.790 -0.554 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -12.520 -12.224 -1.120 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -13.725 -10.031 0.286 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -14.497 -11.562 -0.077 1.00 0.00 H new ATOM 492 N LYS A 31 -11.342 -10.887 4.136 1.00 0.00 N ATOM 493 CA LYS A 31 -10.536 -9.833 4.816 1.00 0.00 C ATOM 494 C LYS A 31 -9.071 -9.992 4.406 1.00 0.00 C ATOM 495 O LYS A 31 -8.322 -10.723 5.022 1.00 0.00 O ATOM 496 CB LYS A 31 -10.668 -9.996 6.333 1.00 0.00 C ATOM 497 CG LYS A 31 -10.538 -8.632 7.017 1.00 0.00 C ATOM 498 CD LYS A 31 -11.852 -8.290 7.724 1.00 0.00 C ATOM 499 CE LYS A 31 -11.730 -8.612 9.215 1.00 0.00 C ATOM 500 NZ LYS A 31 -12.439 -7.570 10.011 1.00 0.00 N ATOM 0 H LYS A 31 -11.847 -11.518 4.758 1.00 0.00 H new ATOM 0 HA LYS A 31 -10.893 -8.844 4.529 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -11.631 -10.445 6.577 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -9.898 -10.673 6.703 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -9.719 -8.650 7.736 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -10.298 -7.865 6.281 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -12.086 -7.234 7.587 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -12.672 -8.858 7.285 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -12.156 -9.594 9.421 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -10.680 -8.653 9.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -12.355 -7.790 11.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -12.014 -6.640 9.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -13.444 -7.552 9.743 1.00 0.00 H new ATOM 514 N VAL A 32 -8.657 -9.326 3.360 1.00 0.00 N ATOM 515 CA VAL A 32 -7.234 -9.466 2.917 1.00 0.00 C ATOM 516 C VAL A 32 -6.752 -8.147 2.313 1.00 0.00 C ATOM 517 O VAL A 32 -7.514 -7.211 2.195 1.00 0.00 O ATOM 518 CB VAL A 32 -7.110 -10.581 1.862 1.00 0.00 C ATOM 519 CG1 VAL A 32 -6.277 -11.728 2.434 1.00 0.00 C ATOM 520 CG2 VAL A 32 -8.490 -11.117 1.473 1.00 0.00 C ATOM 0 H VAL A 32 -9.232 -8.698 2.798 1.00 0.00 H new ATOM 0 HA VAL A 32 -6.622 -9.722 3.782 1.00 0.00 H new ATOM 0 HB VAL A 32 -6.629 -10.167 0.976 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -6.187 -12.519 1.690 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -5.284 -11.362 2.695 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -6.765 -12.122 3.326 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -8.378 -11.904 0.727 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -8.985 -11.522 2.356 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -9.091 -10.308 1.059 1.00 0.00 H new ATOM 530 N PRO A 33 -5.496 -8.113 1.940 1.00 0.00 N ATOM 531 CA PRO A 33 -4.887 -6.921 1.331 1.00 0.00 C ATOM 532 C PRO A 33 -5.310 -6.812 -0.134 1.00 0.00 C ATOM 533 O PRO A 33 -6.131 -7.571 -0.607 1.00 0.00 O ATOM 534 CB PRO A 33 -3.382 -7.177 1.453 1.00 0.00 C ATOM 535 CG PRO A 33 -3.211 -8.706 1.607 1.00 0.00 C ATOM 536 CD PRO A 33 -4.566 -9.255 2.093 1.00 0.00 C ATOM 0 HA PRO A 33 -5.187 -5.989 1.809 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -2.853 -6.814 0.572 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -2.967 -6.651 2.313 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -2.926 -9.161 0.658 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -2.421 -8.937 2.321 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -4.885 -10.111 1.499 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -4.512 -9.589 3.129 1.00 0.00 H new ATOM 544 N VAL A 34 -4.762 -5.876 -0.854 1.00 0.00 N ATOM 545 CA VAL A 34 -5.143 -5.729 -2.285 1.00 0.00 C ATOM 546 C VAL A 34 -4.049 -4.979 -3.035 1.00 0.00 C ATOM 547 O VAL A 34 -3.677 -5.342 -4.134 1.00 0.00 O ATOM 548 CB VAL A 34 -6.453 -4.947 -2.389 1.00 0.00 C ATOM 549 CG1 VAL A 34 -6.873 -4.851 -3.857 1.00 0.00 C ATOM 550 CG2 VAL A 34 -7.544 -5.663 -1.591 1.00 0.00 C ATOM 0 H VAL A 34 -4.069 -5.208 -0.516 1.00 0.00 H new ATOM 0 HA VAL A 34 -5.271 -6.718 -2.724 1.00 0.00 H new ATOM 0 HB VAL A 34 -6.310 -3.945 -1.985 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -7.807 -4.294 -3.933 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -6.097 -4.337 -4.425 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -7.015 -5.853 -4.261 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -8.477 -5.104 -1.667 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -7.689 -6.666 -1.992 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -7.245 -5.730 -0.545 1.00 0.00 H new ATOM 560 N LYS A 35 -3.527 -3.932 -2.461 1.00 0.00 N ATOM 561 CA LYS A 35 -2.455 -3.170 -3.169 1.00 0.00 C ATOM 562 C LYS A 35 -1.530 -2.486 -2.161 1.00 0.00 C ATOM 563 O LYS A 35 -1.865 -1.470 -1.586 1.00 0.00 O ATOM 564 CB LYS A 35 -3.093 -2.111 -4.072 1.00 0.00 C ATOM 565 CG LYS A 35 -1.996 -1.249 -4.704 1.00 0.00 C ATOM 566 CD LYS A 35 -0.944 -2.149 -5.356 1.00 0.00 C ATOM 567 CE LYS A 35 -1.584 -2.935 -6.504 1.00 0.00 C ATOM 568 NZ LYS A 35 -1.202 -2.316 -7.805 1.00 0.00 N ATOM 0 H LYS A 35 -3.790 -3.572 -1.544 1.00 0.00 H new ATOM 0 HA LYS A 35 -1.869 -3.866 -3.770 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -3.686 -2.591 -4.850 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -3.773 -1.486 -3.493 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -2.429 -0.581 -5.449 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -1.531 -0.621 -3.944 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -0.117 -1.546 -5.731 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -0.530 -2.836 -4.618 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -1.257 -3.974 -6.474 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -2.669 -2.939 -6.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -1.637 -2.850 -8.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -1.535 -1.331 -7.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -0.167 -2.334 -7.908 1.00 0.00 H new ATOM 582 N ARG A 36 -0.361 -3.028 -1.956 1.00 0.00 N ATOM 583 CA ARG A 36 0.595 -2.405 -0.998 1.00 0.00 C ATOM 584 C ARG A 36 1.826 -1.916 -1.765 1.00 0.00 C ATOM 585 O ARG A 36 2.620 -2.701 -2.243 1.00 0.00 O ATOM 586 CB ARG A 36 1.025 -3.441 0.041 1.00 0.00 C ATOM 587 CG ARG A 36 0.960 -2.819 1.435 1.00 0.00 C ATOM 588 CD ARG A 36 0.732 -3.918 2.474 1.00 0.00 C ATOM 589 NE ARG A 36 1.624 -3.686 3.644 1.00 0.00 N ATOM 590 CZ ARG A 36 2.918 -3.646 3.482 1.00 0.00 C ATOM 591 NH1 ARG A 36 3.502 -2.522 3.169 1.00 0.00 N ATOM 592 NH2 ARG A 36 3.629 -4.730 3.634 1.00 0.00 N ATOM 0 H ARG A 36 -0.026 -3.877 -2.412 1.00 0.00 H new ATOM 0 HA ARG A 36 0.115 -1.565 -0.495 1.00 0.00 H new ATOM 0 HB2 ARG A 36 0.375 -4.315 -0.010 1.00 0.00 H new ATOM 0 HB3 ARG A 36 2.038 -3.784 -0.169 1.00 0.00 H new ATOM 0 HG2 ARG A 36 1.886 -2.286 1.651 1.00 0.00 H new ATOM 0 HG3 ARG A 36 0.153 -2.087 1.481 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -0.310 -3.922 2.793 1.00 0.00 H new ATOM 0 HD3 ARG A 36 0.935 -4.895 2.036 1.00 0.00 H new ATOM 0 HE ARG A 36 1.223 -3.558 4.573 1.00 0.00 H new ATOM 0 HH11 ARG A 36 2.947 -1.674 3.051 1.00 0.00 H new ATOM 0 HH12 ARG A 36 4.514 -2.491 3.042 1.00 0.00 H new ATOM 0 HH21 ARG A 36 3.173 -5.609 3.879 1.00 0.00 H new ATOM 0 HH22 ARG A 36 4.641 -4.698 3.507 1.00 0.00 H new ATOM 606 N GLY A 37 1.992 -0.628 -1.892 1.00 0.00 N ATOM 607 CA GLY A 37 3.173 -0.106 -2.636 1.00 0.00 C ATOM 608 C GLY A 37 3.435 1.347 -2.236 1.00 0.00 C ATOM 609 O GLY A 37 3.399 1.698 -1.074 1.00 0.00 O ATOM 0 H GLY A 37 1.365 0.082 -1.515 1.00 0.00 H new ATOM 0 HA2 GLY A 37 4.050 -0.716 -2.420 1.00 0.00 H new ATOM 0 HA3 GLY A 37 2.996 -0.171 -3.710 1.00 0.00 H new ATOM 613 N CYS A 38 3.698 2.197 -3.190 1.00 0.00 N ATOM 614 CA CYS A 38 3.961 3.626 -2.861 1.00 0.00 C ATOM 615 C CYS A 38 2.978 4.513 -3.627 1.00 0.00 C ATOM 616 O CYS A 38 2.727 4.310 -4.799 1.00 0.00 O ATOM 617 CB CYS A 38 5.391 3.987 -3.260 1.00 0.00 C ATOM 618 SG CYS A 38 6.397 4.194 -1.769 1.00 0.00 S ATOM 0 H CYS A 38 3.742 1.964 -4.182 1.00 0.00 H new ATOM 0 HA CYS A 38 3.834 3.782 -1.790 1.00 0.00 H new ATOM 0 HB2 CYS A 38 5.813 3.205 -3.891 1.00 0.00 H new ATOM 0 HB3 CYS A 38 5.396 4.906 -3.846 1.00 0.00 H new ATOM 623 N ILE A 39 2.418 5.493 -2.975 1.00 0.00 N ATOM 624 CA ILE A 39 1.451 6.390 -3.665 1.00 0.00 C ATOM 625 C ILE A 39 1.846 7.854 -3.425 1.00 0.00 C ATOM 626 O ILE A 39 2.584 8.169 -2.508 1.00 0.00 O ATOM 627 CB ILE A 39 0.043 6.128 -3.115 1.00 0.00 C ATOM 628 CG1 ILE A 39 -1.002 6.671 -4.095 1.00 0.00 C ATOM 629 CG2 ILE A 39 -0.119 6.816 -1.758 1.00 0.00 C ATOM 630 CD1 ILE A 39 -2.296 5.866 -3.961 1.00 0.00 C ATOM 0 H ILE A 39 2.588 5.711 -1.993 1.00 0.00 H new ATOM 0 HA ILE A 39 1.463 6.193 -4.737 1.00 0.00 H new ATOM 0 HB ILE A 39 -0.100 5.054 -2.992 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -1.194 7.724 -3.891 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -0.626 6.607 -5.116 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -1.121 6.627 -1.372 1.00 0.00 H new ATOM 0 HG22 ILE A 39 0.620 6.422 -1.060 1.00 0.00 H new ATOM 0 HG23 ILE A 39 0.028 7.890 -1.875 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -3.039 6.253 -4.658 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -2.098 4.818 -4.186 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -2.675 5.953 -2.943 1.00 0.00 H new ATOM 642 N ASP A 40 1.356 8.749 -4.240 1.00 0.00 N ATOM 643 CA ASP A 40 1.691 10.192 -4.064 1.00 0.00 C ATOM 644 C ASP A 40 0.510 10.908 -3.402 1.00 0.00 C ATOM 645 O ASP A 40 0.497 12.116 -3.265 1.00 0.00 O ATOM 646 CB ASP A 40 1.962 10.821 -5.431 1.00 0.00 C ATOM 647 CG ASP A 40 3.237 11.661 -5.363 1.00 0.00 C ATOM 648 OD1 ASP A 40 3.287 12.559 -4.538 1.00 0.00 O ATOM 649 OD2 ASP A 40 4.142 11.393 -6.135 1.00 0.00 O ATOM 0 H ASP A 40 0.736 8.542 -5.023 1.00 0.00 H new ATOM 0 HA ASP A 40 2.577 10.288 -3.436 1.00 0.00 H new ATOM 0 HB2 ASP A 40 2.067 10.043 -6.187 1.00 0.00 H new ATOM 0 HB3 ASP A 40 1.119 11.444 -5.730 1.00 0.00 H new ATOM 654 N VAL A 41 -0.481 10.167 -2.993 1.00 0.00 N ATOM 655 CA VAL A 41 -1.670 10.781 -2.340 1.00 0.00 C ATOM 656 C VAL A 41 -2.667 9.676 -1.996 1.00 0.00 C ATOM 657 O VAL A 41 -3.350 9.156 -2.856 1.00 0.00 O ATOM 658 CB VAL A 41 -2.328 11.781 -3.291 1.00 0.00 C ATOM 659 CG1 VAL A 41 -2.716 11.071 -4.590 1.00 0.00 C ATOM 660 CG2 VAL A 41 -3.583 12.357 -2.631 1.00 0.00 C ATOM 0 H VAL A 41 -0.518 9.152 -3.084 1.00 0.00 H new ATOM 0 HA VAL A 41 -1.362 11.303 -1.434 1.00 0.00 H new ATOM 0 HB VAL A 41 -1.629 12.587 -3.513 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -3.185 11.784 -5.268 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -1.823 10.657 -5.059 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -3.416 10.265 -4.369 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -4.055 13.071 -3.307 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -4.281 11.550 -2.411 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.308 12.862 -1.705 1.00 0.00 H new ATOM 670 N CYS A 42 -2.744 9.307 -0.747 1.00 0.00 N ATOM 671 CA CYS A 42 -3.685 8.227 -0.333 1.00 0.00 C ATOM 672 C CYS A 42 -5.005 8.353 -1.102 1.00 0.00 C ATOM 673 O CYS A 42 -5.448 9.445 -1.397 1.00 0.00 O ATOM 674 CB CYS A 42 -3.954 8.347 1.166 1.00 0.00 C ATOM 675 SG CYS A 42 -2.378 8.422 2.053 1.00 0.00 S ATOM 0 H CYS A 42 -2.192 9.710 0.010 1.00 0.00 H new ATOM 0 HA CYS A 42 -3.240 7.257 -0.554 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -4.543 9.241 1.371 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -4.539 7.494 1.512 1.00 0.00 H new ATOM 680 N PRO A 43 -5.593 7.221 -1.406 1.00 0.00 N ATOM 681 CA PRO A 43 -6.867 7.160 -2.146 1.00 0.00 C ATOM 682 C PRO A 43 -8.045 7.482 -1.222 1.00 0.00 C ATOM 683 O PRO A 43 -7.869 7.909 -0.098 1.00 0.00 O ATOM 684 CB PRO A 43 -6.933 5.709 -2.628 1.00 0.00 C ATOM 685 CG PRO A 43 -6.014 4.893 -1.688 1.00 0.00 C ATOM 686 CD PRO A 43 -5.044 5.898 -1.040 1.00 0.00 C ATOM 0 HA PRO A 43 -6.920 7.880 -2.963 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -7.956 5.334 -2.592 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -6.600 5.628 -3.663 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -6.599 4.374 -0.929 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -5.468 4.132 -2.245 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -5.002 5.770 0.042 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -4.029 5.770 -1.416 1.00 0.00 H new ATOM 694 N LYS A 44 -9.245 7.279 -1.690 1.00 0.00 N ATOM 695 CA LYS A 44 -10.436 7.573 -0.845 1.00 0.00 C ATOM 696 C LYS A 44 -11.294 6.312 -0.723 1.00 0.00 C ATOM 697 O LYS A 44 -12.497 6.350 -0.891 1.00 0.00 O ATOM 698 CB LYS A 44 -11.257 8.688 -1.496 1.00 0.00 C ATOM 699 CG LYS A 44 -11.350 9.880 -0.541 1.00 0.00 C ATOM 700 CD LYS A 44 -10.175 10.827 -0.792 1.00 0.00 C ATOM 701 CE LYS A 44 -10.170 11.258 -2.259 1.00 0.00 C ATOM 702 NZ LYS A 44 -9.653 12.651 -2.367 1.00 0.00 N ATOM 0 H LYS A 44 -9.453 6.922 -2.623 1.00 0.00 H new ATOM 0 HA LYS A 44 -10.113 7.891 0.146 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -10.793 8.995 -2.433 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -12.256 8.324 -1.738 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -12.293 10.406 -0.690 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -11.338 9.534 0.492 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -10.254 11.701 -0.146 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -9.236 10.332 -0.544 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -9.548 10.582 -2.845 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -11.178 11.200 -2.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -9.650 12.944 -3.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -10.264 13.291 -1.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -8.684 12.692 -1.991 1.00 0.00 H new ATOM 716 N SER A 45 -10.687 5.193 -0.434 1.00 0.00 N ATOM 717 CA SER A 45 -11.475 3.935 -0.308 1.00 0.00 C ATOM 718 C SER A 45 -12.375 3.784 -1.537 1.00 0.00 C ATOM 719 O SER A 45 -12.282 4.545 -2.479 1.00 0.00 O ATOM 720 CB SER A 45 -12.337 3.997 0.953 1.00 0.00 C ATOM 721 OG SER A 45 -11.538 3.680 2.085 1.00 0.00 O ATOM 0 H SER A 45 -9.683 5.096 -0.280 1.00 0.00 H new ATOM 0 HA SER A 45 -10.800 3.082 -0.240 1.00 0.00 H new ATOM 0 HB2 SER A 45 -12.767 4.992 1.065 1.00 0.00 H new ATOM 0 HB3 SER A 45 -13.169 3.297 0.873 1.00 0.00 H new ATOM 0 HG SER A 45 -10.607 3.928 1.908 1.00 0.00 H new ATOM 727 N SER A 46 -13.245 2.812 -1.538 1.00 0.00 N ATOM 728 CA SER A 46 -14.143 2.626 -2.712 1.00 0.00 C ATOM 729 C SER A 46 -15.270 1.654 -2.356 1.00 0.00 C ATOM 730 O SER A 46 -15.663 1.533 -1.212 1.00 0.00 O ATOM 731 CB SER A 46 -13.338 2.067 -3.886 1.00 0.00 C ATOM 732 OG SER A 46 -12.914 0.746 -3.577 1.00 0.00 O ATOM 0 H SER A 46 -13.373 2.141 -0.780 1.00 0.00 H new ATOM 0 HA SER A 46 -14.574 3.588 -2.990 1.00 0.00 H new ATOM 0 HB2 SER A 46 -13.946 2.064 -4.790 1.00 0.00 H new ATOM 0 HB3 SER A 46 -12.474 2.702 -4.085 1.00 0.00 H new ATOM 0 HG SER A 46 -12.399 0.384 -4.328 1.00 0.00 H new ATOM 738 N LEU A 47 -15.795 0.963 -3.331 1.00 0.00 N ATOM 739 CA LEU A 47 -16.900 0.000 -3.061 1.00 0.00 C ATOM 740 C LEU A 47 -16.585 -0.812 -1.804 1.00 0.00 C ATOM 741 O LEU A 47 -17.432 -1.019 -0.957 1.00 0.00 O ATOM 742 CB LEU A 47 -17.053 -0.945 -4.255 1.00 0.00 C ATOM 743 CG LEU A 47 -18.327 -1.776 -4.089 1.00 0.00 C ATOM 744 CD1 LEU A 47 -18.978 -1.998 -5.457 1.00 0.00 C ATOM 745 CD2 LEU A 47 -17.976 -3.130 -3.469 1.00 0.00 C ATOM 0 H LEU A 47 -15.505 1.024 -4.307 1.00 0.00 H new ATOM 0 HA LEU A 47 -17.828 0.550 -2.908 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -17.098 -0.373 -5.182 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -16.185 -1.601 -4.327 1.00 0.00 H new ATOM 0 HG LEU A 47 -19.022 -1.245 -3.438 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -19.885 -2.590 -5.336 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -19.230 -1.035 -5.901 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -18.283 -2.527 -6.109 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -18.883 -3.722 -3.351 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -17.280 -3.659 -4.120 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -17.514 -2.975 -2.494 1.00 0.00 H new ATOM 757 N LEU A 48 -15.374 -1.279 -1.677 1.00 0.00 N ATOM 758 CA LEU A 48 -15.009 -2.083 -0.476 1.00 0.00 C ATOM 759 C LEU A 48 -13.492 -2.239 -0.390 1.00 0.00 C ATOM 760 O LEU A 48 -12.912 -3.110 -1.007 1.00 0.00 O ATOM 761 CB LEU A 48 -15.661 -3.464 -0.573 1.00 0.00 C ATOM 762 CG LEU A 48 -16.377 -3.778 0.740 1.00 0.00 C ATOM 763 CD1 LEU A 48 -15.386 -3.666 1.899 1.00 0.00 C ATOM 764 CD2 LEU A 48 -17.516 -2.779 0.950 1.00 0.00 C ATOM 0 H LEU A 48 -14.622 -1.139 -2.352 1.00 0.00 H new ATOM 0 HA LEU A 48 -15.364 -1.571 0.419 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -16.369 -3.487 -1.401 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -14.905 -4.222 -0.779 1.00 0.00 H new ATOM 0 HG LEU A 48 -16.781 -4.790 0.701 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -15.895 -3.890 2.836 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -14.571 -4.375 1.751 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -14.984 -2.654 1.937 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -18.028 -3.002 1.886 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -17.111 -1.768 0.990 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -18.223 -2.854 0.124 1.00 0.00 H new ATOM 776 N VAL A 49 -12.849 -1.406 0.382 1.00 0.00 N ATOM 777 CA VAL A 49 -11.370 -1.502 0.527 1.00 0.00 C ATOM 778 C VAL A 49 -10.849 -0.243 1.222 1.00 0.00 C ATOM 779 O VAL A 49 -11.051 0.862 0.759 1.00 0.00 O ATOM 780 CB VAL A 49 -10.718 -1.627 -0.855 1.00 0.00 C ATOM 781 CG1 VAL A 49 -11.306 -0.577 -1.799 1.00 0.00 C ATOM 782 CG2 VAL A 49 -9.208 -1.407 -0.729 1.00 0.00 C ATOM 0 H VAL A 49 -13.288 -0.659 0.921 1.00 0.00 H new ATOM 0 HA VAL A 49 -11.122 -2.382 1.121 1.00 0.00 H new ATOM 0 HB VAL A 49 -10.911 -2.622 -1.255 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -10.840 -0.669 -2.780 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -12.381 -0.732 -1.891 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -11.116 0.419 -1.399 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -8.744 -1.496 -1.711 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -9.018 -0.412 -0.326 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -8.786 -2.156 -0.059 1.00 0.00 H new ATOM 792 N LYS A 50 -10.176 -0.402 2.326 1.00 0.00 N ATOM 793 CA LYS A 50 -9.635 0.783 3.045 1.00 0.00 C ATOM 794 C LYS A 50 -8.161 0.949 2.679 1.00 0.00 C ATOM 795 O LYS A 50 -7.559 0.076 2.085 1.00 0.00 O ATOM 796 CB LYS A 50 -9.772 0.576 4.554 1.00 0.00 C ATOM 797 CG LYS A 50 -8.872 -0.579 4.997 1.00 0.00 C ATOM 798 CD LYS A 50 -9.736 -1.774 5.401 1.00 0.00 C ATOM 799 CE LYS A 50 -9.411 -2.177 6.841 1.00 0.00 C ATOM 800 NZ LYS A 50 -8.155 -2.979 6.863 1.00 0.00 N ATOM 0 H LYS A 50 -9.977 -1.302 2.762 1.00 0.00 H new ATOM 0 HA LYS A 50 -10.190 1.676 2.759 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -9.497 1.488 5.083 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -10.810 0.360 4.809 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -8.199 -0.861 4.187 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -8.249 -0.267 5.835 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -10.792 -1.519 5.313 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -9.554 -2.612 4.728 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -9.298 -1.288 7.462 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -10.232 -2.757 7.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -7.935 -3.252 7.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -8.279 -3.834 6.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -7.374 -2.411 6.478 1.00 0.00 H new ATOM 814 N TYR A 51 -7.574 2.065 3.012 1.00 0.00 N ATOM 815 CA TYR A 51 -6.142 2.277 2.659 1.00 0.00 C ATOM 816 C TYR A 51 -5.378 2.861 3.850 1.00 0.00 C ATOM 817 O TYR A 51 -5.850 3.747 4.535 1.00 0.00 O ATOM 818 CB TYR A 51 -6.054 3.245 1.476 1.00 0.00 C ATOM 819 CG TYR A 51 -6.843 4.494 1.788 1.00 0.00 C ATOM 820 CD1 TYR A 51 -8.230 4.509 1.599 1.00 0.00 C ATOM 821 CD2 TYR A 51 -6.189 5.635 2.268 1.00 0.00 C ATOM 822 CE1 TYR A 51 -8.964 5.665 1.893 1.00 0.00 C ATOM 823 CE2 TYR A 51 -6.924 6.791 2.561 1.00 0.00 C ATOM 824 CZ TYR A 51 -8.311 6.805 2.373 1.00 0.00 C ATOM 825 OH TYR A 51 -9.035 7.943 2.665 1.00 0.00 O ATOM 0 H TYR A 51 -8.020 2.835 3.510 1.00 0.00 H new ATOM 0 HA TYR A 51 -5.697 1.318 2.392 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -5.013 3.500 1.277 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -6.444 2.771 0.575 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -8.734 3.629 1.227 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -5.119 5.624 2.412 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -10.034 5.676 1.749 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -6.420 7.671 2.932 1.00 0.00 H new ATOM 0 HH TYR A 51 -9.016 8.549 1.895 1.00 0.00 H new ATOM 835 N VAL A 52 -4.187 2.379 4.086 1.00 0.00 N ATOM 836 CA VAL A 52 -3.367 2.907 5.213 1.00 0.00 C ATOM 837 C VAL A 52 -2.004 3.318 4.659 1.00 0.00 C ATOM 838 O VAL A 52 -1.253 2.502 4.167 1.00 0.00 O ATOM 839 CB VAL A 52 -3.194 1.824 6.276 1.00 0.00 C ATOM 840 CG1 VAL A 52 -2.760 2.466 7.595 1.00 0.00 C ATOM 841 CG2 VAL A 52 -4.528 1.101 6.474 1.00 0.00 C ATOM 0 H VAL A 52 -3.745 1.638 3.543 1.00 0.00 H new ATOM 0 HA VAL A 52 -3.859 3.766 5.670 1.00 0.00 H new ATOM 0 HB VAL A 52 -2.433 1.112 5.955 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.637 1.692 8.353 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -1.814 2.988 7.452 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -3.520 3.176 7.921 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -4.413 0.326 7.232 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -5.285 1.816 6.798 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -4.838 0.646 5.533 1.00 0.00 H new ATOM 851 N CYS A 53 -1.688 4.579 4.710 1.00 0.00 N ATOM 852 CA CYS A 53 -0.382 5.040 4.151 1.00 0.00 C ATOM 853 C CYS A 53 0.570 5.423 5.284 1.00 0.00 C ATOM 854 O CYS A 53 0.159 5.751 6.379 1.00 0.00 O ATOM 855 CB CYS A 53 -0.585 6.261 3.230 1.00 0.00 C ATOM 856 SG CYS A 53 -2.344 6.707 3.116 1.00 0.00 S ATOM 0 H CYS A 53 -2.273 5.311 5.112 1.00 0.00 H new ATOM 0 HA CYS A 53 0.046 4.221 3.572 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -0.016 7.108 3.613 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -0.197 6.039 2.236 1.00 0.00 H new ATOM 861 N CYS A 54 1.847 5.390 5.014 1.00 0.00 N ATOM 862 CA CYS A 54 2.852 5.756 6.050 1.00 0.00 C ATOM 863 C CYS A 54 3.940 6.610 5.398 1.00 0.00 C ATOM 864 O CYS A 54 4.339 6.366 4.275 1.00 0.00 O ATOM 865 CB CYS A 54 3.479 4.486 6.628 1.00 0.00 C ATOM 866 SG CYS A 54 4.577 4.921 7.999 1.00 0.00 S ATOM 0 H CYS A 54 2.239 5.122 4.111 1.00 0.00 H new ATOM 0 HA CYS A 54 2.370 6.314 6.853 1.00 0.00 H new ATOM 0 HB2 CYS A 54 2.699 3.808 6.975 1.00 0.00 H new ATOM 0 HB3 CYS A 54 4.038 3.960 5.854 1.00 0.00 H new ATOM 871 N ASN A 55 4.421 7.610 6.084 1.00 0.00 N ATOM 872 CA ASN A 55 5.477 8.474 5.486 1.00 0.00 C ATOM 873 C ASN A 55 6.753 8.386 6.322 1.00 0.00 C ATOM 874 O ASN A 55 6.989 9.191 7.201 1.00 0.00 O ATOM 875 CB ASN A 55 4.992 9.925 5.447 1.00 0.00 C ATOM 876 CG ASN A 55 5.693 10.672 4.309 1.00 0.00 C ATOM 877 OD1 ASN A 55 6.901 10.625 4.190 1.00 0.00 O ATOM 878 ND2 ASN A 55 4.981 11.366 3.464 1.00 0.00 N ATOM 0 H ASN A 55 4.130 7.865 7.028 1.00 0.00 H new ATOM 0 HA ASN A 55 5.686 8.133 4.472 1.00 0.00 H new ATOM 0 HB2 ASN A 55 3.912 9.954 5.303 1.00 0.00 H new ATOM 0 HB3 ASN A 55 5.200 10.414 6.399 1.00 0.00 H new ATOM 0 HD21 ASN A 55 5.439 11.869 2.704 1.00 0.00 H new ATOM 0 HD22 ASN A 55 3.967 11.406 3.564 1.00 0.00 H new ATOM 885 N THR A 56 7.580 7.415 6.051 1.00 0.00 N ATOM 886 CA THR A 56 8.847 7.275 6.823 1.00 0.00 C ATOM 887 C THR A 56 9.806 6.362 6.060 1.00 0.00 C ATOM 888 O THR A 56 10.765 6.811 5.465 1.00 0.00 O ATOM 889 CB THR A 56 8.549 6.667 8.195 1.00 0.00 C ATOM 890 OG1 THR A 56 7.691 7.536 8.921 1.00 0.00 O ATOM 891 CG2 THR A 56 9.856 6.478 8.967 1.00 0.00 C ATOM 0 H THR A 56 7.433 6.711 5.327 1.00 0.00 H new ATOM 0 HA THR A 56 9.302 8.257 6.954 1.00 0.00 H new ATOM 0 HB THR A 56 8.063 5.700 8.065 1.00 0.00 H new ATOM 0 HG1 THR A 56 7.699 8.424 8.507 1.00 0.00 H new ATOM 0 HG21 THR A 56 9.642 6.045 9.944 1.00 0.00 H new ATOM 0 HG22 THR A 56 10.514 5.811 8.410 1.00 0.00 H new ATOM 0 HG23 THR A 56 10.345 7.444 9.097 1.00 0.00 H new ATOM 899 N ASP A 57 9.554 5.083 6.073 1.00 0.00 N ATOM 900 CA ASP A 57 10.449 4.141 5.348 1.00 0.00 C ATOM 901 C ASP A 57 9.805 2.750 5.321 1.00 0.00 C ATOM 902 O ASP A 57 8.895 2.499 4.556 1.00 0.00 O ATOM 903 CB ASP A 57 11.805 4.085 6.057 1.00 0.00 C ATOM 904 CG ASP A 57 12.731 3.114 5.322 1.00 0.00 C ATOM 905 OD1 ASP A 57 12.299 2.550 4.329 1.00 0.00 O ATOM 906 OD2 ASP A 57 13.857 2.952 5.763 1.00 0.00 O ATOM 0 H ASP A 57 8.766 4.650 6.555 1.00 0.00 H new ATOM 0 HA ASP A 57 10.598 4.482 4.324 1.00 0.00 H new ATOM 0 HB2 ASP A 57 12.253 5.078 6.086 1.00 0.00 H new ATOM 0 HB3 ASP A 57 11.673 3.765 7.091 1.00 0.00 H new ATOM 911 N ARG A 58 10.258 1.844 6.146 1.00 0.00 N ATOM 912 CA ARG A 58 9.657 0.483 6.152 1.00 0.00 C ATOM 913 C ARG A 58 8.594 0.405 7.250 1.00 0.00 C ATOM 914 O ARG A 58 8.364 -0.635 7.836 1.00 0.00 O ATOM 915 CB ARG A 58 10.749 -0.554 6.421 1.00 0.00 C ATOM 916 CG ARG A 58 10.124 -1.946 6.498 1.00 0.00 C ATOM 917 CD ARG A 58 11.046 -2.958 5.819 1.00 0.00 C ATOM 918 NE ARG A 58 10.745 -4.324 6.333 1.00 0.00 N ATOM 919 CZ ARG A 58 10.800 -5.351 5.530 1.00 0.00 C ATOM 920 NH1 ARG A 58 11.678 -5.377 4.563 1.00 0.00 N ATOM 921 NH2 ARG A 58 9.979 -6.352 5.695 1.00 0.00 N ATOM 0 H ARG A 58 11.016 1.989 6.813 1.00 0.00 H new ATOM 0 HA ARG A 58 9.197 0.281 5.185 1.00 0.00 H new ATOM 0 HB2 ARG A 58 11.497 -0.523 5.629 1.00 0.00 H new ATOM 0 HB3 ARG A 58 11.263 -0.323 7.354 1.00 0.00 H new ATOM 0 HG2 ARG A 58 9.963 -2.227 7.539 1.00 0.00 H new ATOM 0 HG3 ARG A 58 9.148 -1.945 6.013 1.00 0.00 H new ATOM 0 HD2 ARG A 58 10.907 -2.925 4.738 1.00 0.00 H new ATOM 0 HD3 ARG A 58 12.088 -2.705 6.014 1.00 0.00 H new ATOM 0 HE ARG A 58 10.496 -4.456 7.313 1.00 0.00 H new ATOM 0 HH11 ARG A 58 12.320 -4.595 4.436 1.00 0.00 H new ATOM 0 HH12 ARG A 58 11.721 -6.180 3.935 1.00 0.00 H new ATOM 0 HH21 ARG A 58 9.295 -6.331 6.451 1.00 0.00 H new ATOM 0 HH22 ARG A 58 10.021 -7.155 5.068 1.00 0.00 H new ATOM 935 N CYS A 59 7.945 1.501 7.533 1.00 0.00 N ATOM 936 CA CYS A 59 6.899 1.497 8.594 1.00 0.00 C ATOM 937 C CYS A 59 5.614 0.868 8.051 1.00 0.00 C ATOM 938 O CYS A 59 4.609 0.809 8.731 1.00 0.00 O ATOM 939 CB CYS A 59 6.616 2.936 9.031 1.00 0.00 C ATOM 940 SG CYS A 59 6.302 3.960 7.571 1.00 0.00 S ATOM 0 H CYS A 59 8.094 2.400 7.075 1.00 0.00 H new ATOM 0 HA CYS A 59 7.251 0.916 9.447 1.00 0.00 H new ATOM 0 HB2 CYS A 59 5.755 2.962 9.699 1.00 0.00 H new ATOM 0 HB3 CYS A 59 7.464 3.331 9.590 1.00 0.00 H new ATOM 945 N ASN A 60 5.636 0.398 6.833 1.00 0.00 N ATOM 946 CA ASN A 60 4.411 -0.222 6.255 1.00 0.00 C ATOM 947 C ASN A 60 4.722 -1.653 5.812 1.00 0.00 C ATOM 948 O ASN A 60 5.891 -1.958 5.641 1.00 0.00 O ATOM 949 CB ASN A 60 3.944 0.595 5.048 1.00 0.00 C ATOM 950 CG ASN A 60 2.472 0.289 4.768 1.00 0.00 C ATOM 951 OD1 ASN A 60 1.978 -0.759 5.133 1.00 0.00 O ATOM 952 ND2 ASN A 60 1.743 1.166 4.133 1.00 0.00 N ATOM 953 OXT ASN A 60 3.786 -2.418 5.648 1.00 0.00 O ATOM 0 H ASN A 60 6.447 0.417 6.215 1.00 0.00 H new ATOM 0 HA ASN A 60 3.624 -0.238 7.009 1.00 0.00 H new ATOM 0 HB2 ASN A 60 4.075 1.659 5.242 1.00 0.00 H new ATOM 0 HB3 ASN A 60 4.550 0.353 4.175 1.00 0.00 H new ATOM 0 HD21 ASN A 60 0.760 0.971 3.944 1.00 0.00 H new ATOM 0 HD22 ASN A 60 2.156 2.046 3.826 1.00 0.00 H new TER 960 ASN A 60