USER MOD reduce.3.24.130724 H: found=0, std=0, add=475, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 488 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 4 ASN : amide:sc= -0.238 K(o=-7.1,f=-12!) USER MOD Set 1.2: A 60 ASN : amide:sc= -6.84! C(o=-7.1!,f=-16!) USER MOD Single : A 2 LYS NZ :NH3+ 171:sc= -0.0168 (180deg=-0.158) USER MOD Single : A 5 LYS NZ :NH3+ -171:sc= 1.01 (180deg=0.936) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ -168:sc= 0.244 (180deg=0.153) USER MOD Single : A 19 ASN : amide:sc= -0.351 K(o=-0.35,f=-3.5!) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -178:sc= 0.797 (180deg=0.793) USER MOD Single : A 24 MET CE :methyl -132:sc= 0 (180deg=-1.22) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 MET CE :methyl -168:sc=-0.00731 (180deg=-0.199) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= 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 ASN : amide:sc= 0.745 K(o=0.74,f=-3.6!) USER MOD Single : A 46 SER OG : rot -18:sc= 1.33 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= 0.0484 K(o=0.048,f=-4.1!) USER MOD Single : A 56 THR OG1 : rot 180:sc= -1.41 USER MOD ----------------------------------------------------------------- ATOM 40 N LYS A 2 -7.362 5.083 -3.342 1.00 0.00 N ATOM 41 CA LYS A 2 -7.643 3.803 -2.711 1.00 0.00 C ATOM 42 C LYS A 2 -6.389 2.932 -2.758 1.00 0.00 C ATOM 43 O LYS A 2 -5.663 2.935 -3.750 1.00 0.00 O ATOM 44 CB LYS A 2 -8.816 3.101 -3.398 1.00 0.00 C ATOM 45 CG LYS A 2 -10.015 4.000 -3.668 1.00 0.00 C ATOM 46 CD LYS A 2 -10.752 4.342 -2.382 1.00 0.00 C ATOM 47 CE LYS A 2 -11.873 5.341 -2.634 1.00 0.00 C ATOM 48 NZ LYS A 2 -12.875 4.819 -3.603 1.00 0.00 N ATOM 0 HA LYS A 2 -7.924 3.972 -1.672 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -8.470 2.683 -4.343 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -9.137 2.264 -2.778 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -9.682 4.917 -4.153 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -10.696 3.503 -4.359 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -11.164 3.433 -1.944 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -10.050 4.755 -1.657 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -12.368 5.577 -1.692 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -11.451 6.272 -3.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -13.695 5.458 -3.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -12.446 4.762 -4.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -13.185 3.872 -3.306 1.00 0.00 H new ATOM 62 N CYS A 3 -6.172 2.206 -1.672 1.00 0.00 N ATOM 63 CA CYS A 3 -5.129 1.191 -1.644 1.00 0.00 C ATOM 64 C CYS A 3 -5.753 -0.128 -1.192 1.00 0.00 C ATOM 65 O CYS A 3 -6.772 -0.134 -0.501 1.00 0.00 O ATOM 66 CB CYS A 3 -3.961 1.609 -0.747 1.00 0.00 C ATOM 67 SG CYS A 3 -3.098 3.137 -1.271 1.00 0.00 S ATOM 0 H CYS A 3 -6.700 2.299 -0.804 1.00 0.00 H new ATOM 0 HA CYS A 3 -4.710 1.067 -2.643 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -4.333 1.749 0.268 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -3.238 0.794 -0.712 1.00 0.00 H new ATOM 73 N ASN A 4 -5.117 -1.219 -1.601 1.00 0.00 N ATOM 74 CA ASN A 4 -5.655 -2.542 -1.337 1.00 0.00 C ATOM 75 C ASN A 4 -5.323 -2.943 0.103 1.00 0.00 C ATOM 76 O ASN A 4 -4.345 -2.465 0.675 1.00 0.00 O ATOM 77 CB ASN A 4 -5.130 -3.570 -2.321 1.00 0.00 C ATOM 78 CG ASN A 4 -5.587 -3.342 -3.735 1.00 0.00 C ATOM 79 OD1 ASN A 4 -6.716 -2.901 -3.980 1.00 0.00 O ATOM 80 ND2 ASN A 4 -4.748 -3.717 -4.668 1.00 0.00 N ATOM 0 H ASN A 4 -4.235 -1.212 -2.113 1.00 0.00 H new ATOM 0 HA ASN A 4 -6.737 -2.509 -1.464 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -4.040 -3.561 -2.295 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -5.449 -4.562 -2.001 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -5.015 -3.652 -5.650 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -3.827 -4.074 -4.412 1.00 0.00 H new ATOM 87 N LYS A 5 -6.156 -3.819 0.646 1.00 0.00 N ATOM 88 CA LYS A 5 -5.993 -4.255 2.021 1.00 0.00 C ATOM 89 C LYS A 5 -6.255 -5.760 2.110 1.00 0.00 C ATOM 90 O LYS A 5 -5.319 -6.559 2.089 1.00 0.00 O ATOM 91 CB LYS A 5 -6.932 -3.485 2.951 1.00 0.00 C ATOM 92 CG LYS A 5 -6.611 -2.002 3.081 1.00 0.00 C ATOM 93 CD LYS A 5 -5.240 -1.785 3.707 1.00 0.00 C ATOM 94 CE LYS A 5 -5.093 -2.567 5.003 1.00 0.00 C ATOM 95 NZ LYS A 5 -3.967 -2.059 5.834 1.00 0.00 N ATOM 0 H LYS A 5 -6.947 -4.239 0.157 1.00 0.00 H new ATOM 0 HA LYS A 5 -4.971 -4.050 2.341 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -7.954 -3.593 2.586 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -6.897 -3.940 3.941 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -6.642 -1.534 2.097 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -7.372 -1.515 3.690 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -4.465 -2.092 3.005 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -5.091 -0.723 3.902 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -6.021 -2.505 5.572 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -4.929 -3.620 4.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -3.803 -2.708 6.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -3.106 -1.999 5.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -4.204 -1.115 6.200 1.00 0.00 H new ATOM 109 N LEU A 6 -7.530 -6.101 2.207 1.00 0.00 N ATOM 110 CA LEU A 6 -7.927 -7.495 2.311 1.00 0.00 C ATOM 111 C LEU A 6 -8.129 -8.070 0.908 1.00 0.00 C ATOM 112 O LEU A 6 -8.775 -7.448 0.067 1.00 0.00 O ATOM 113 CB LEU A 6 -9.204 -7.633 3.151 1.00 0.00 C ATOM 114 CG LEU A 6 -9.722 -9.066 3.322 1.00 0.00 C ATOM 115 CD1 LEU A 6 -8.731 -9.885 4.137 1.00 0.00 C ATOM 116 CD2 LEU A 6 -11.084 -9.037 3.999 1.00 0.00 C ATOM 0 H LEU A 6 -8.303 -5.436 2.216 1.00 0.00 H new ATOM 0 HA LEU A 6 -7.140 -8.057 2.814 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -9.017 -7.211 4.139 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -9.989 -7.033 2.691 1.00 0.00 H new ATOM 0 HG LEU A 6 -9.827 -9.534 2.343 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -9.108 -10.901 4.253 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -7.770 -9.911 3.623 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -8.605 -9.430 5.120 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -11.452 -10.056 4.120 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -10.994 -8.565 4.977 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -11.783 -8.469 3.385 1.00 0.00 H new ATOM 128 N VAL A 7 -7.567 -9.251 0.700 1.00 0.00 N ATOM 129 CA VAL A 7 -7.723 -9.940 -0.571 1.00 0.00 C ATOM 130 C VAL A 7 -9.200 -10.275 -0.787 1.00 0.00 C ATOM 131 O VAL A 7 -9.952 -10.431 0.172 1.00 0.00 O ATOM 132 CB VAL A 7 -6.883 -11.231 -0.631 1.00 0.00 C ATOM 133 CG1 VAL A 7 -5.402 -10.910 -0.504 1.00 0.00 C ATOM 134 CG2 VAL A 7 -7.313 -12.197 0.462 1.00 0.00 C ATOM 0 H VAL A 7 -7.003 -9.749 1.389 1.00 0.00 H new ATOM 0 HA VAL A 7 -7.367 -9.278 -1.360 1.00 0.00 H new ATOM 0 HB VAL A 7 -7.051 -11.706 -1.598 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -4.824 -11.833 -0.548 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -5.101 -10.254 -1.321 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -5.218 -10.412 0.448 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -6.710 -13.103 0.405 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -7.174 -11.729 1.437 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -8.364 -12.452 0.329 1.00 0.00 H new ATOM 144 N PRO A 8 -9.581 -10.376 -2.090 1.00 0.00 N ATOM 145 CA PRO A 8 -8.616 -10.221 -3.165 1.00 0.00 C ATOM 146 C PRO A 8 -8.404 -8.746 -3.507 1.00 0.00 C ATOM 147 O PRO A 8 -7.275 -8.315 -3.734 1.00 0.00 O ATOM 148 CB PRO A 8 -9.231 -11.003 -4.330 1.00 0.00 C ATOM 149 CG PRO A 8 -10.703 -10.852 -4.144 1.00 0.00 C ATOM 150 CD PRO A 8 -10.912 -10.787 -2.655 1.00 0.00 C ATOM 0 HA PRO A 8 -7.625 -10.593 -2.904 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -8.909 -10.602 -5.291 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -8.933 -12.051 -4.306 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -11.070 -9.949 -4.632 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -11.243 -11.693 -4.580 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -11.689 -10.067 -2.397 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -11.227 -11.752 -2.259 1.00 0.00 H new ATOM 158 N ILE A 9 -9.507 -8.012 -3.527 1.00 0.00 N ATOM 159 CA ILE A 9 -9.509 -6.680 -4.111 1.00 0.00 C ATOM 160 C ILE A 9 -9.794 -5.649 -3.016 1.00 0.00 C ATOM 161 O ILE A 9 -9.441 -4.479 -3.157 1.00 0.00 O ATOM 162 CB ILE A 9 -10.552 -6.549 -5.236 1.00 0.00 C ATOM 163 CG1 ILE A 9 -10.297 -7.593 -6.326 1.00 0.00 C ATOM 164 CG2 ILE A 9 -10.528 -5.145 -5.822 1.00 0.00 C ATOM 165 CD1 ILE A 9 -8.936 -7.479 -6.974 1.00 0.00 C ATOM 0 H ILE A 9 -10.405 -8.313 -3.149 1.00 0.00 H new ATOM 0 HA ILE A 9 -8.528 -6.501 -4.551 1.00 0.00 H new ATOM 0 HB ILE A 9 -11.541 -6.728 -4.814 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -10.401 -8.588 -5.894 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -11.064 -7.497 -7.094 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -11.271 -5.069 -6.616 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -10.757 -4.421 -5.040 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -9.539 -4.938 -6.230 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -8.830 -8.252 -7.735 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -8.834 -6.497 -7.437 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -8.161 -7.606 -6.218 1.00 0.00 H new ATOM 177 N ALA A 10 -10.425 -6.121 -1.954 1.00 0.00 N ATOM 178 CA ALA A 10 -10.947 -5.226 -0.935 1.00 0.00 C ATOM 179 C ALA A 10 -9.927 -4.116 -0.669 1.00 0.00 C ATOM 180 O ALA A 10 -8.734 -4.384 -0.535 1.00 0.00 O ATOM 181 CB ALA A 10 -11.280 -6.027 0.327 1.00 0.00 C ATOM 0 H ALA A 10 -10.588 -7.112 -1.775 1.00 0.00 H new ATOM 0 HA ALA A 10 -11.869 -4.754 -1.274 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -11.672 -5.356 1.091 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -12.028 -6.784 0.091 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -10.378 -6.513 0.698 1.00 0.00 H new ATOM 187 N TYR A 11 -10.436 -2.894 -0.600 1.00 0.00 N ATOM 188 CA TYR A 11 -9.573 -1.728 -0.520 1.00 0.00 C ATOM 189 C TYR A 11 -10.112 -0.714 0.492 1.00 0.00 C ATOM 190 O TYR A 11 -11.286 -0.759 0.856 1.00 0.00 O ATOM 191 CB TYR A 11 -9.430 -1.079 -1.898 1.00 0.00 C ATOM 192 CG TYR A 11 -10.745 -0.679 -2.528 1.00 0.00 C ATOM 193 CD1 TYR A 11 -11.276 0.587 -2.328 1.00 0.00 C ATOM 194 CD2 TYR A 11 -11.451 -1.570 -3.323 1.00 0.00 C ATOM 195 CE1 TYR A 11 -12.477 0.956 -2.902 1.00 0.00 C ATOM 196 CE2 TYR A 11 -12.653 -1.211 -3.902 1.00 0.00 C ATOM 197 CZ TYR A 11 -13.163 0.053 -3.689 1.00 0.00 C ATOM 198 OH TYR A 11 -14.360 0.416 -4.264 1.00 0.00 O ATOM 0 H TYR A 11 -11.435 -2.687 -0.598 1.00 0.00 H new ATOM 0 HA TYR A 11 -8.590 -2.055 -0.180 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -8.798 -0.195 -1.808 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -8.916 -1.773 -2.563 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -10.741 1.296 -1.713 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -11.055 -2.560 -3.492 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -12.877 1.945 -2.736 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -13.191 -1.916 -4.518 1.00 0.00 H new ATOM 0 HH TYR A 11 -14.712 -0.334 -4.787 1.00 0.00 H new ATOM 208 N LYS A 12 -9.229 0.177 0.916 1.00 0.00 N ATOM 209 CA LYS A 12 -9.605 1.211 1.865 1.00 0.00 C ATOM 210 C LYS A 12 -9.230 2.580 1.295 1.00 0.00 C ATOM 211 O LYS A 12 -8.362 2.678 0.429 1.00 0.00 O ATOM 212 CB LYS A 12 -8.928 0.983 3.218 1.00 0.00 C ATOM 213 CG LYS A 12 -9.536 -0.144 4.043 1.00 0.00 C ATOM 214 CD LYS A 12 -8.929 -0.198 5.437 1.00 0.00 C ATOM 215 CE LYS A 12 -9.580 -1.282 6.282 1.00 0.00 C ATOM 216 NZ LYS A 12 -9.068 -1.280 7.680 1.00 0.00 N ATOM 0 H LYS A 12 -8.253 0.205 0.620 1.00 0.00 H new ATOM 0 HA LYS A 12 -10.682 1.172 2.026 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -7.873 0.766 3.051 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -8.976 1.906 3.795 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -10.614 -0.001 4.119 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -9.375 -1.096 3.537 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -7.858 -0.386 5.362 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -9.049 0.769 5.926 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -10.660 -1.135 6.291 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -9.394 -2.256 5.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -9.537 -2.033 8.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -8.041 -1.445 7.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -9.268 -0.360 8.122 1.00 0.00 H new ATOM 230 N THR A 13 -9.901 3.602 1.806 1.00 0.00 N ATOM 231 CA THR A 13 -9.660 4.958 1.346 1.00 0.00 C ATOM 232 C THR A 13 -8.429 5.546 2.037 1.00 0.00 C ATOM 233 O THR A 13 -8.313 5.490 3.261 1.00 0.00 O ATOM 234 CB THR A 13 -10.875 5.869 1.606 1.00 0.00 C ATOM 235 OG1 THR A 13 -12.025 5.337 0.934 1.00 0.00 O ATOM 236 CG2 THR A 13 -10.604 7.277 1.102 1.00 0.00 C ATOM 0 H THR A 13 -10.611 3.518 2.534 1.00 0.00 H new ATOM 0 HA THR A 13 -9.488 4.910 0.271 1.00 0.00 H new ATOM 0 HB THR A 13 -11.058 5.909 2.680 1.00 0.00 H new ATOM 0 HG1 THR A 13 -12.798 5.916 1.101 1.00 0.00 H new ATOM 0 HG21 THR A 13 -11.473 7.906 1.294 1.00 0.00 H new ATOM 0 HG22 THR A 13 -9.737 7.688 1.619 1.00 0.00 H new ATOM 0 HG23 THR A 13 -10.407 7.248 0.030 1.00 0.00 H new ATOM 244 N CYS A 14 -7.538 6.094 1.224 1.00 0.00 N ATOM 245 CA CYS A 14 -6.279 6.614 1.732 1.00 0.00 C ATOM 246 C CYS A 14 -6.576 7.860 2.567 1.00 0.00 C ATOM 247 O CYS A 14 -7.504 8.610 2.264 1.00 0.00 O ATOM 248 CB CYS A 14 -5.290 6.906 0.602 1.00 0.00 C ATOM 249 SG CYS A 14 -4.659 5.425 -0.270 1.00 0.00 S ATOM 0 H CYS A 14 -7.663 6.189 0.216 1.00 0.00 H new ATOM 0 HA CYS A 14 -5.800 5.863 2.360 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -5.773 7.559 -0.124 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -4.444 7.456 1.013 1.00 0.00 H new ATOM 255 N PRO A 15 -5.750 8.049 3.631 1.00 0.00 N ATOM 256 CA PRO A 15 -5.883 9.219 4.484 1.00 0.00 C ATOM 257 C PRO A 15 -5.312 10.461 3.799 1.00 0.00 C ATOM 258 O PRO A 15 -4.460 10.355 2.918 1.00 0.00 O ATOM 259 CB PRO A 15 -5.108 8.846 5.751 1.00 0.00 C ATOM 260 CG PRO A 15 -4.023 7.943 5.271 1.00 0.00 C ATOM 261 CD PRO A 15 -4.626 7.164 4.134 1.00 0.00 C ATOM 0 HA PRO A 15 -6.920 9.471 4.705 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -4.701 9.730 6.242 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -5.750 8.345 6.476 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -3.155 8.513 4.940 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -3.684 7.279 6.066 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -3.892 6.969 3.352 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -5.000 6.196 4.469 1.00 0.00 H new ATOM 269 N GLU A 16 -5.804 11.614 4.230 1.00 0.00 N ATOM 270 CA GLU A 16 -5.402 12.871 3.625 1.00 0.00 C ATOM 271 C GLU A 16 -3.884 13.037 3.698 1.00 0.00 C ATOM 272 O GLU A 16 -3.280 12.790 4.741 1.00 0.00 O ATOM 273 CB GLU A 16 -6.103 14.046 4.312 1.00 0.00 C ATOM 274 CG GLU A 16 -5.770 15.409 3.721 1.00 0.00 C ATOM 275 CD GLU A 16 -6.532 16.505 4.412 1.00 0.00 C ATOM 276 OE1 GLU A 16 -7.290 16.205 5.304 1.00 0.00 O ATOM 277 OE2 GLU A 16 -6.275 17.651 4.129 1.00 0.00 O ATOM 0 H GLU A 16 -6.477 11.703 4.991 1.00 0.00 H new ATOM 0 HA GLU A 16 -5.699 12.859 2.576 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -7.181 13.893 4.257 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -5.835 14.046 5.368 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -4.700 15.595 3.811 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -6.006 15.414 2.657 1.00 0.00 H new ATOM 285 N GLY A 17 -3.309 13.451 2.579 1.00 0.00 N ATOM 286 CA GLY A 17 -1.886 13.733 2.528 1.00 0.00 C ATOM 287 C GLY A 17 -1.108 12.528 1.995 1.00 0.00 C ATOM 288 O GLY A 17 0.075 12.641 1.675 1.00 0.00 O ATOM 0 H GLY A 17 -3.804 13.598 1.699 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -1.706 14.598 1.890 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -1.527 13.991 3.524 1.00 0.00 H new ATOM 292 N LYS A 18 -1.802 11.403 1.916 1.00 0.00 N ATOM 293 CA LYS A 18 -1.216 10.199 1.353 1.00 0.00 C ATOM 294 C LYS A 18 -1.764 9.985 -0.060 1.00 0.00 C ATOM 295 O LYS A 18 -2.902 10.347 -0.352 1.00 0.00 O ATOM 296 CB LYS A 18 -1.507 8.986 2.238 1.00 0.00 C ATOM 297 CG LYS A 18 -1.131 9.170 3.702 1.00 0.00 C ATOM 298 CD LYS A 18 0.335 9.551 3.853 1.00 0.00 C ATOM 299 CE LYS A 18 0.748 9.594 5.317 1.00 0.00 C ATOM 300 NZ LYS A 18 2.073 10.247 5.502 1.00 0.00 N ATOM 0 H LYS A 18 -2.766 11.300 2.233 1.00 0.00 H new ATOM 0 HA LYS A 18 -0.134 10.317 1.304 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -2.570 8.752 2.175 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -0.968 8.125 1.842 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -1.758 9.944 4.146 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -1.327 8.248 4.249 1.00 0.00 H new ATOM 0 HD2 LYS A 18 0.956 8.832 3.319 1.00 0.00 H new ATOM 0 HD3 LYS A 18 0.509 10.525 3.395 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -0.006 10.133 5.891 1.00 0.00 H new ATOM 0 HE3 LYS A 18 0.785 8.579 5.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 2.411 10.078 6.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 2.754 9.849 4.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 1.981 11.270 5.341 1.00 0.00 H new ATOM 314 N ASN A 19 -0.924 9.397 -0.902 1.00 0.00 N ATOM 315 CA ASN A 19 -1.208 9.345 -2.326 1.00 0.00 C ATOM 316 C ASN A 19 -0.921 7.933 -2.847 1.00 0.00 C ATOM 317 O ASN A 19 -1.762 7.332 -3.515 1.00 0.00 O ATOM 318 CB ASN A 19 -0.412 10.380 -3.099 1.00 0.00 C ATOM 319 CG ASN A 19 -0.713 10.399 -4.572 1.00 0.00 C ATOM 320 OD1 ASN A 19 -0.374 9.465 -5.308 1.00 0.00 O ATOM 321 ND2 ASN A 19 -1.274 11.494 -5.019 1.00 0.00 N ATOM 0 H ASN A 19 -0.048 8.954 -0.625 1.00 0.00 H new ATOM 0 HA ASN A 19 -2.261 9.581 -2.478 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -0.616 11.367 -2.683 1.00 0.00 H new ATOM 0 HB3 ASN A 19 0.651 10.188 -2.957 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -1.450 11.606 -6.017 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -1.535 12.235 -4.369 1.00 0.00 H new ATOM 328 N LEU A 20 0.269 7.449 -2.523 1.00 0.00 N ATOM 329 CA LEU A 20 0.793 6.257 -3.170 1.00 0.00 C ATOM 330 C LEU A 20 0.279 5.017 -2.436 1.00 0.00 C ATOM 331 O LEU A 20 -0.058 5.086 -1.256 1.00 0.00 O ATOM 332 CB LEU A 20 2.326 6.288 -3.195 1.00 0.00 C ATOM 333 CG LEU A 20 2.944 7.588 -3.725 1.00 0.00 C ATOM 334 CD1 LEU A 20 4.461 7.531 -3.605 1.00 0.00 C ATOM 335 CD2 LEU A 20 2.525 7.796 -5.174 1.00 0.00 C ATOM 0 H LEU A 20 0.885 7.860 -1.822 1.00 0.00 H new ATOM 0 HA LEU A 20 0.448 6.223 -4.203 1.00 0.00 H new ATOM 0 HB2 LEU A 20 2.694 6.116 -2.183 1.00 0.00 H new ATOM 0 HB3 LEU A 20 2.680 5.460 -3.808 1.00 0.00 H new ATOM 0 HG LEU A 20 2.586 8.430 -3.132 1.00 0.00 H new ATOM 0 HD11 LEU A 20 4.891 8.458 -3.984 1.00 0.00 H new ATOM 0 HD12 LEU A 20 4.739 7.403 -2.559 1.00 0.00 H new ATOM 0 HD13 LEU A 20 4.841 6.691 -4.187 1.00 0.00 H new ATOM 0 HD21 LEU A 20 2.964 8.720 -5.551 1.00 0.00 H new ATOM 0 HD22 LEU A 20 2.872 6.957 -5.777 1.00 0.00 H new ATOM 0 HD23 LEU A 20 1.438 7.860 -5.233 1.00 0.00 H new ATOM 347 N CYS A 21 0.239 3.911 -3.165 1.00 0.00 N ATOM 348 CA CYS A 21 -0.179 2.647 -2.586 1.00 0.00 C ATOM 349 C CYS A 21 1.035 1.717 -2.536 1.00 0.00 C ATOM 350 O CYS A 21 1.692 1.492 -3.552 1.00 0.00 O ATOM 351 CB CYS A 21 -1.343 2.026 -3.361 1.00 0.00 C ATOM 352 SG CYS A 21 -2.912 2.961 -3.270 1.00 0.00 S ATOM 0 H CYS A 21 0.490 3.865 -4.153 1.00 0.00 H new ATOM 0 HA CYS A 21 -0.551 2.813 -1.575 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -1.054 1.930 -4.408 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -1.515 1.018 -2.984 1.00 0.00 H new ATOM 358 N TYR A 22 1.296 1.199 -1.344 1.00 0.00 N ATOM 359 CA TYR A 22 2.464 0.362 -1.132 1.00 0.00 C ATOM 360 C TYR A 22 2.057 -1.024 -0.628 1.00 0.00 C ATOM 361 O TYR A 22 0.962 -1.199 -0.096 1.00 0.00 O ATOM 362 CB TYR A 22 3.424 1.025 -0.143 1.00 0.00 C ATOM 363 CG TYR A 22 2.951 0.982 1.294 1.00 0.00 C ATOM 364 CD1 TYR A 22 3.278 -0.085 2.119 1.00 0.00 C ATOM 365 CD2 TYR A 22 2.182 2.009 1.820 1.00 0.00 C ATOM 366 CE1 TYR A 22 2.849 -0.129 3.431 1.00 0.00 C ATOM 367 CE2 TYR A 22 1.748 1.974 3.131 1.00 0.00 C ATOM 368 CZ TYR A 22 2.083 0.903 3.934 1.00 0.00 C ATOM 369 OH TYR A 22 1.654 0.865 5.241 1.00 0.00 O ATOM 0 H TYR A 22 0.718 1.343 -0.516 1.00 0.00 H new ATOM 0 HA TYR A 22 2.974 0.242 -2.088 1.00 0.00 H new ATOM 0 HB2 TYR A 22 4.395 0.535 -0.210 1.00 0.00 H new ATOM 0 HB3 TYR A 22 3.571 2.065 -0.436 1.00 0.00 H new ATOM 0 HD1 TYR A 22 3.878 -0.894 1.729 1.00 0.00 H new ATOM 0 HD2 TYR A 22 1.918 2.849 1.195 1.00 0.00 H new ATOM 0 HE1 TYR A 22 3.112 -0.967 4.060 1.00 0.00 H new ATOM 0 HE2 TYR A 22 1.149 2.781 3.526 1.00 0.00 H new ATOM 0 HH TYR A 22 1.127 1.668 5.436 1.00 0.00 H new ATOM 379 N LYS A 23 2.962 -1.977 -0.813 1.00 0.00 N ATOM 380 CA LYS A 23 2.770 -3.306 -0.260 1.00 0.00 C ATOM 381 C LYS A 23 4.053 -3.746 0.450 1.00 0.00 C ATOM 382 O LYS A 23 5.150 -3.344 0.065 1.00 0.00 O ATOM 383 CB LYS A 23 2.389 -4.302 -1.358 1.00 0.00 C ATOM 384 CG LYS A 23 3.417 -4.435 -2.473 1.00 0.00 C ATOM 385 CD LYS A 23 2.979 -5.456 -3.511 1.00 0.00 C ATOM 386 CE LYS A 23 1.528 -5.247 -3.918 1.00 0.00 C ATOM 387 NZ LYS A 23 1.110 -6.185 -4.994 1.00 0.00 N ATOM 0 H LYS A 23 3.828 -1.854 -1.337 1.00 0.00 H new ATOM 0 HA LYS A 23 1.952 -3.280 0.460 1.00 0.00 H new ATOM 0 HB2 LYS A 23 2.234 -5.281 -0.905 1.00 0.00 H new ATOM 0 HB3 LYS A 23 1.437 -3.998 -1.793 1.00 0.00 H new ATOM 0 HG2 LYS A 23 3.564 -3.467 -2.952 1.00 0.00 H new ATOM 0 HG3 LYS A 23 4.377 -4.731 -2.051 1.00 0.00 H new ATOM 0 HD2 LYS A 23 3.619 -5.381 -4.390 1.00 0.00 H new ATOM 0 HD3 LYS A 23 3.105 -6.462 -3.110 1.00 0.00 H new ATOM 0 HE2 LYS A 23 0.885 -5.383 -3.049 1.00 0.00 H new ATOM 0 HE3 LYS A 23 1.391 -4.221 -4.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 0.126 -5.986 -5.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 1.728 -6.062 -5.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 1.183 -7.163 -4.649 1.00 0.00 H new ATOM 401 N MET A 24 3.872 -4.566 1.475 1.00 0.00 N ATOM 402 CA MET A 24 4.995 -5.025 2.274 1.00 0.00 C ATOM 403 C MET A 24 5.185 -6.537 2.137 1.00 0.00 C ATOM 404 O MET A 24 4.217 -7.295 2.203 1.00 0.00 O ATOM 405 CB MET A 24 4.789 -4.642 3.739 1.00 0.00 C ATOM 406 CG MET A 24 4.791 -3.144 4.004 1.00 0.00 C ATOM 407 SD MET A 24 4.663 -2.750 5.760 1.00 0.00 S ATOM 408 CE MET A 24 2.945 -3.145 6.072 1.00 0.00 C ATOM 0 H MET A 24 2.964 -4.924 1.770 1.00 0.00 H new ATOM 0 HA MET A 24 5.899 -4.539 1.906 1.00 0.00 H new ATOM 0 HB2 MET A 24 3.841 -5.058 4.081 1.00 0.00 H new ATOM 0 HB3 MET A 24 5.574 -5.105 4.337 1.00 0.00 H new ATOM 0 HG2 MET A 24 5.707 -2.709 3.604 1.00 0.00 H new ATOM 0 HG3 MET A 24 3.960 -2.683 3.470 1.00 0.00 H new ATOM 0 HE1 MET A 24 2.477 -2.326 6.619 1.00 0.00 H new ATOM 0 HE2 MET A 24 2.427 -3.291 5.124 1.00 0.00 H new ATOM 0 HE3 MET A 24 2.883 -4.058 6.664 1.00 0.00 H new ATOM 418 N PHE A 25 6.435 -6.930 1.949 1.00 0.00 N ATOM 419 CA PHE A 25 6.783 -8.340 1.945 1.00 0.00 C ATOM 420 C PHE A 25 7.612 -8.704 3.177 1.00 0.00 C ATOM 421 O PHE A 25 8.056 -7.824 3.914 1.00 0.00 O ATOM 422 CB PHE A 25 7.622 -8.591 0.690 1.00 0.00 C ATOM 423 CG PHE A 25 6.894 -8.276 -0.618 1.00 0.00 C ATOM 424 CD1 PHE A 25 6.308 -9.274 -1.329 1.00 0.00 C ATOM 425 CD2 PHE A 25 6.835 -6.995 -1.072 1.00 0.00 C ATOM 426 CE1 PHE A 25 5.633 -8.984 -2.542 1.00 0.00 C ATOM 427 CE2 PHE A 25 6.159 -6.701 -2.285 1.00 0.00 C ATOM 428 CZ PHE A 25 5.572 -7.702 -2.995 1.00 0.00 C ATOM 0 H PHE A 25 7.220 -6.296 1.798 1.00 0.00 H new ATOM 0 HA PHE A 25 5.877 -8.946 1.957 1.00 0.00 H new ATOM 0 HB2 PHE A 25 8.528 -7.987 0.744 1.00 0.00 H new ATOM 0 HB3 PHE A 25 7.935 -9.635 0.677 1.00 0.00 H new ATOM 0 HD1 PHE A 25 6.356 -10.291 -0.970 1.00 0.00 H new ATOM 0 HD2 PHE A 25 7.303 -6.201 -0.509 1.00 0.00 H new ATOM 0 HE1 PHE A 25 5.168 -9.779 -3.106 1.00 0.00 H new ATOM 0 HE2 PHE A 25 6.111 -5.684 -2.644 1.00 0.00 H new ATOM 0 HZ PHE A 25 5.058 -7.479 -3.918 1.00 0.00 H new ATOM 438 N MET A 26 7.798 -10.002 3.367 1.00 0.00 N ATOM 439 CA MET A 26 8.840 -10.490 4.254 1.00 0.00 C ATOM 440 C MET A 26 9.912 -11.252 3.472 1.00 0.00 C ATOM 441 O MET A 26 9.603 -11.969 2.524 1.00 0.00 O ATOM 442 CB MET A 26 8.233 -11.379 5.336 1.00 0.00 C ATOM 443 CG MET A 26 7.261 -10.667 6.266 1.00 0.00 C ATOM 444 SD MET A 26 6.566 -11.765 7.518 1.00 0.00 S ATOM 445 CE MET A 26 5.532 -10.623 8.430 1.00 0.00 C ATOM 0 H MET A 26 7.243 -10.732 2.921 1.00 0.00 H new ATOM 0 HA MET A 26 9.317 -9.633 4.729 1.00 0.00 H new ATOM 0 HB2 MET A 26 7.715 -12.210 4.857 1.00 0.00 H new ATOM 0 HB3 MET A 26 9.039 -11.806 5.932 1.00 0.00 H new ATOM 0 HG2 MET A 26 7.774 -9.840 6.758 1.00 0.00 H new ATOM 0 HG3 MET A 26 6.452 -10.235 5.678 1.00 0.00 H new ATOM 0 HE1 MET A 26 5.032 -11.153 9.241 1.00 0.00 H new ATOM 0 HE2 MET A 26 6.148 -9.825 8.843 1.00 0.00 H new ATOM 0 HE3 MET A 26 4.785 -10.195 7.762 1.00 0.00 H new ATOM 455 N MET A 27 11.152 -11.069 3.901 1.00 0.00 N ATOM 456 CA MET A 27 12.285 -11.606 3.167 1.00 0.00 C ATOM 457 C MET A 27 12.062 -13.078 2.817 1.00 0.00 C ATOM 458 O MET A 27 12.587 -13.568 1.818 1.00 0.00 O ATOM 459 CB MET A 27 13.566 -11.438 3.982 1.00 0.00 C ATOM 460 CG MET A 27 14.121 -10.021 3.998 1.00 0.00 C ATOM 461 SD MET A 27 14.459 -9.388 2.343 1.00 0.00 S ATOM 462 CE MET A 27 15.838 -10.421 1.860 1.00 0.00 C ATOM 0 H MET A 27 11.397 -10.556 4.748 1.00 0.00 H new ATOM 0 HA MET A 27 12.385 -11.050 2.235 1.00 0.00 H new ATOM 0 HB2 MET A 27 13.373 -11.751 5.008 1.00 0.00 H new ATOM 0 HB3 MET A 27 14.327 -12.108 3.582 1.00 0.00 H new ATOM 0 HG2 MET A 27 13.410 -9.362 4.496 1.00 0.00 H new ATOM 0 HG3 MET A 27 15.039 -10.001 4.585 1.00 0.00 H new ATOM 0 HE1 MET A 27 16.297 -10.017 0.957 1.00 0.00 H new ATOM 0 HE2 MET A 27 16.575 -10.443 2.663 1.00 0.00 H new ATOM 0 HE3 MET A 27 15.484 -11.433 1.665 1.00 0.00 H new ATOM 472 N SER A 28 11.285 -13.743 3.658 1.00 0.00 N ATOM 473 CA SER A 28 10.811 -15.080 3.343 1.00 0.00 C ATOM 474 C SER A 28 9.936 -15.041 2.089 1.00 0.00 C ATOM 475 O SER A 28 10.379 -15.424 1.006 1.00 0.00 O ATOM 476 CB SER A 28 10.045 -15.657 4.517 1.00 0.00 C ATOM 477 OG SER A 28 9.563 -16.946 4.249 1.00 0.00 O ATOM 0 H SER A 28 10.971 -13.381 4.558 1.00 0.00 H new ATOM 0 HA SER A 28 11.668 -15.725 3.147 1.00 0.00 H new ATOM 0 HB2 SER A 28 10.693 -15.688 5.393 1.00 0.00 H new ATOM 0 HB3 SER A 28 9.209 -15.001 4.762 1.00 0.00 H new ATOM 0 HG SER A 28 9.077 -17.283 5.031 1.00 0.00 H new ATOM 483 N ASP A 29 8.710 -14.575 2.275 1.00 0.00 N ATOM 484 CA ASP A 29 7.734 -14.583 1.196 1.00 0.00 C ATOM 485 C ASP A 29 7.871 -13.295 0.383 1.00 0.00 C ATOM 486 O ASP A 29 7.136 -12.334 0.607 1.00 0.00 O ATOM 487 CB ASP A 29 6.312 -14.728 1.743 1.00 0.00 C ATOM 488 CG ASP A 29 5.239 -14.888 0.675 1.00 0.00 C ATOM 489 OD1 ASP A 29 5.585 -14.971 -0.479 1.00 0.00 O ATOM 490 OD2 ASP A 29 4.102 -15.085 1.030 1.00 0.00 O ATOM 0 H ASP A 29 8.369 -14.189 3.156 1.00 0.00 H new ATOM 0 HA ASP A 29 7.926 -15.440 0.550 1.00 0.00 H new ATOM 0 HB2 ASP A 29 6.278 -15.592 2.407 1.00 0.00 H new ATOM 0 HB3 ASP A 29 6.078 -13.852 2.348 1.00 0.00 H new ATOM 496 N LEU A 30 8.816 -13.316 -0.545 1.00 0.00 N ATOM 497 CA LEU A 30 8.984 -12.207 -1.468 1.00 0.00 C ATOM 498 C LEU A 30 7.910 -12.285 -2.556 1.00 0.00 C ATOM 499 O LEU A 30 7.616 -11.290 -3.215 1.00 0.00 O ATOM 500 CB LEU A 30 10.391 -12.225 -2.081 1.00 0.00 C ATOM 501 CG LEU A 30 11.444 -11.409 -1.321 1.00 0.00 C ATOM 502 CD1 LEU A 30 10.887 -10.962 0.024 1.00 0.00 C ATOM 503 CD2 LEU A 30 12.698 -12.249 -1.133 1.00 0.00 C ATOM 0 H LEU A 30 9.474 -14.084 -0.678 1.00 0.00 H new ATOM 0 HA LEU A 30 8.871 -11.267 -0.928 1.00 0.00 H new ATOM 0 HB2 LEU A 30 10.730 -13.259 -2.142 1.00 0.00 H new ATOM 0 HB3 LEU A 30 10.330 -11.849 -3.102 1.00 0.00 H new ATOM 0 HG LEU A 30 11.700 -10.519 -1.896 1.00 0.00 H new ATOM 0 HD11 LEU A 30 11.642 -10.383 0.556 1.00 0.00 H new ATOM 0 HD12 LEU A 30 10.003 -10.345 -0.135 1.00 0.00 H new ATOM 0 HD13 LEU A 30 10.617 -11.837 0.615 1.00 0.00 H new ATOM 0 HD21 LEU A 30 13.447 -11.669 -0.593 1.00 0.00 H new ATOM 0 HD22 LEU A 30 12.453 -13.146 -0.564 1.00 0.00 H new ATOM 0 HD23 LEU A 30 13.094 -12.535 -2.107 1.00 0.00 H new ATOM 515 N THR A 31 7.356 -13.477 -2.707 1.00 0.00 N ATOM 516 CA THR A 31 6.441 -13.743 -3.806 1.00 0.00 C ATOM 517 C THR A 31 5.111 -13.021 -3.581 1.00 0.00 C ATOM 518 O THR A 31 4.573 -12.405 -4.499 1.00 0.00 O ATOM 519 CB THR A 31 6.182 -15.253 -3.976 1.00 0.00 C ATOM 520 OG1 THR A 31 7.420 -15.926 -4.240 1.00 0.00 O ATOM 521 CG2 THR A 31 5.217 -15.502 -5.125 1.00 0.00 C ATOM 0 H THR A 31 7.522 -14.271 -2.088 1.00 0.00 H new ATOM 0 HA THR A 31 6.910 -13.370 -4.716 1.00 0.00 H new ATOM 0 HB THR A 31 5.741 -15.637 -3.056 1.00 0.00 H new ATOM 0 HG1 THR A 31 7.254 -16.886 -4.346 1.00 0.00 H new ATOM 0 HG21 THR A 31 5.046 -16.573 -5.231 1.00 0.00 H new ATOM 0 HG22 THR A 31 4.271 -15.002 -4.920 1.00 0.00 H new ATOM 0 HG23 THR A 31 5.642 -15.110 -6.049 1.00 0.00 H new ATOM 529 N ILE A 32 4.622 -13.120 -2.354 1.00 0.00 N ATOM 530 CA ILE A 32 3.315 -12.577 -2.025 1.00 0.00 C ATOM 531 C ILE A 32 3.450 -11.626 -0.833 1.00 0.00 C ATOM 532 O ILE A 32 3.986 -12.000 0.207 1.00 0.00 O ATOM 533 CB ILE A 32 2.299 -13.685 -1.696 1.00 0.00 C ATOM 534 CG1 ILE A 32 2.036 -14.552 -2.930 1.00 0.00 C ATOM 535 CG2 ILE A 32 1.002 -13.082 -1.179 1.00 0.00 C ATOM 536 CD1 ILE A 32 1.383 -13.807 -4.072 1.00 0.00 C ATOM 0 H ILE A 32 5.107 -13.568 -1.576 1.00 0.00 H new ATOM 0 HA ILE A 32 2.942 -12.039 -2.897 1.00 0.00 H new ATOM 0 HB ILE A 32 2.718 -14.318 -0.914 1.00 0.00 H new ATOM 0 HG12 ILE A 32 2.981 -14.972 -3.276 1.00 0.00 H new ATOM 0 HG13 ILE A 32 1.400 -15.390 -2.645 1.00 0.00 H new ATOM 0 HG21 ILE A 32 0.295 -13.880 -0.951 1.00 0.00 H new ATOM 0 HG22 ILE A 32 1.203 -12.507 -0.275 1.00 0.00 H new ATOM 0 HG23 ILE A 32 0.577 -12.427 -1.939 1.00 0.00 H new ATOM 0 HD11 ILE A 32 1.229 -14.487 -4.909 1.00 0.00 H new ATOM 0 HD12 ILE A 32 0.422 -13.410 -3.745 1.00 0.00 H new ATOM 0 HD13 ILE A 32 2.027 -12.985 -4.386 1.00 0.00 H new ATOM 548 N PRO A 33 2.938 -10.380 -1.031 1.00 0.00 N ATOM 549 CA PRO A 33 2.963 -9.384 0.026 1.00 0.00 C ATOM 550 C PRO A 33 1.971 -9.738 1.135 1.00 0.00 C ATOM 551 O PRO A 33 1.038 -10.508 0.917 1.00 0.00 O ATOM 552 CB PRO A 33 2.598 -8.078 -0.685 1.00 0.00 C ATOM 553 CG PRO A 33 1.754 -8.505 -1.838 1.00 0.00 C ATOM 554 CD PRO A 33 2.327 -9.824 -2.285 1.00 0.00 C ATOM 0 HA PRO A 33 3.930 -9.315 0.525 1.00 0.00 H new ATOM 0 HB2 PRO A 33 2.054 -7.404 -0.023 1.00 0.00 H new ATOM 0 HB3 PRO A 33 3.488 -7.546 -1.020 1.00 0.00 H new ATOM 0 HG2 PRO A 33 0.710 -8.610 -1.543 1.00 0.00 H new ATOM 0 HG3 PRO A 33 1.786 -7.770 -2.642 1.00 0.00 H new ATOM 0 HD2 PRO A 33 1.555 -10.483 -2.683 1.00 0.00 H new ATOM 0 HD3 PRO A 33 3.071 -9.693 -3.071 1.00 0.00 H new ATOM 562 N VAL A 34 2.208 -9.159 2.303 1.00 0.00 N ATOM 563 CA VAL A 34 1.543 -9.613 3.512 1.00 0.00 C ATOM 564 C VAL A 34 0.576 -8.530 3.994 1.00 0.00 C ATOM 565 O VAL A 34 -0.476 -8.836 4.557 1.00 0.00 O ATOM 566 CB VAL A 34 2.548 -9.947 4.630 1.00 0.00 C ATOM 567 CG1 VAL A 34 3.535 -11.005 4.160 1.00 0.00 C ATOM 568 CG2 VAL A 34 3.285 -8.694 5.076 1.00 0.00 C ATOM 0 H VAL A 34 2.852 -8.379 2.437 1.00 0.00 H new ATOM 0 HA VAL A 34 0.999 -10.527 3.275 1.00 0.00 H new ATOM 0 HB VAL A 34 1.996 -10.344 5.482 1.00 0.00 H new ATOM 0 HG11 VAL A 34 4.238 -11.229 4.962 1.00 0.00 H new ATOM 0 HG12 VAL A 34 2.994 -11.911 3.888 1.00 0.00 H new ATOM 0 HG13 VAL A 34 4.081 -10.634 3.293 1.00 0.00 H new ATOM 0 HG21 VAL A 34 3.991 -8.949 5.866 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.825 -8.269 4.230 1.00 0.00 H new ATOM 0 HG23 VAL A 34 2.568 -7.964 5.452 1.00 0.00 H new ATOM 578 N LYS A 35 0.964 -7.285 3.758 1.00 0.00 N ATOM 579 CA LYS A 35 0.137 -6.155 4.150 1.00 0.00 C ATOM 580 C LYS A 35 0.366 -5.001 3.173 1.00 0.00 C ATOM 581 O LYS A 35 1.467 -4.825 2.659 1.00 0.00 O ATOM 582 CB LYS A 35 0.449 -5.722 5.584 1.00 0.00 C ATOM 583 CG LYS A 35 -0.180 -6.600 6.658 1.00 0.00 C ATOM 584 CD LYS A 35 -0.124 -5.930 8.023 1.00 0.00 C ATOM 585 CE LYS A 35 -1.248 -4.918 8.190 1.00 0.00 C ATOM 586 NZ LYS A 35 -1.322 -4.394 9.581 1.00 0.00 N ATOM 0 H LYS A 35 1.840 -7.034 3.300 1.00 0.00 H new ATOM 0 HA LYS A 35 -0.911 -6.451 4.117 1.00 0.00 H new ATOM 0 HB2 LYS A 35 1.530 -5.718 5.722 1.00 0.00 H new ATOM 0 HB3 LYS A 35 0.106 -4.697 5.724 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -1.217 -6.811 6.397 1.00 0.00 H new ATOM 0 HG3 LYS A 35 0.340 -7.557 6.699 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -0.194 -6.686 8.805 1.00 0.00 H new ATOM 0 HD3 LYS A 35 0.838 -5.432 8.147 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -1.096 -4.090 7.498 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -2.198 -5.384 7.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -2.100 -3.708 9.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -1.492 -5.181 10.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -0.425 -3.927 9.824 1.00 0.00 H new ATOM 600 N ARG A 36 -0.697 -4.243 2.947 1.00 0.00 N ATOM 601 CA ARG A 36 -0.609 -3.060 2.108 1.00 0.00 C ATOM 602 C ARG A 36 -1.312 -1.878 2.780 1.00 0.00 C ATOM 603 O ARG A 36 -1.977 -2.047 3.800 1.00 0.00 O ATOM 604 CB ARG A 36 -1.238 -3.307 0.737 1.00 0.00 C ATOM 605 CG ARG A 36 -0.609 -4.524 0.055 1.00 0.00 C ATOM 606 CD ARG A 36 -1.355 -5.807 0.429 1.00 0.00 C ATOM 607 NE ARG A 36 -2.622 -5.896 -0.330 1.00 0.00 N ATOM 608 CZ ARG A 36 -3.483 -6.932 -0.245 1.00 0.00 C ATOM 609 NH1 ARG A 36 -4.586 -6.907 -0.970 1.00 0.00 N ATOM 610 NH2 ARG A 36 -3.220 -7.976 0.567 1.00 0.00 N ATOM 0 H ARG A 36 -1.624 -4.425 3.331 1.00 0.00 H new ATOM 0 HA ARG A 36 0.448 -2.829 1.972 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -2.311 -3.462 0.848 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -1.107 -2.426 0.109 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -0.628 -4.390 -1.027 1.00 0.00 H new ATOM 0 HG3 ARG A 36 0.438 -4.609 0.347 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -0.732 -6.675 0.215 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -1.561 -5.819 1.499 1.00 0.00 H new ATOM 0 HE ARG A 36 -2.860 -5.127 -0.956 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -4.776 -6.113 -1.582 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -5.248 -7.681 -0.918 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -2.365 -7.987 1.123 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -3.876 -8.755 0.625 1.00 0.00 H new ATOM 624 N GLY A 37 -1.139 -0.709 2.180 1.00 0.00 N ATOM 625 CA GLY A 37 -1.744 0.501 2.712 1.00 0.00 C ATOM 626 C GLY A 37 -1.377 1.717 1.858 1.00 0.00 C ATOM 627 O GLY A 37 -0.825 1.572 0.770 1.00 0.00 O ATOM 0 H GLY A 37 -0.589 -0.574 1.332 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -2.828 0.387 2.743 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -1.411 0.658 3.738 1.00 0.00 H new ATOM 631 N CYS A 38 -1.700 2.888 2.387 1.00 0.00 N ATOM 632 CA CYS A 38 -1.424 4.128 1.682 1.00 0.00 C ATOM 633 C CYS A 38 -0.214 4.798 2.340 1.00 0.00 C ATOM 634 O CYS A 38 0.026 4.614 3.531 1.00 0.00 O ATOM 635 CB CYS A 38 -2.698 4.947 1.897 1.00 0.00 C ATOM 636 SG CYS A 38 -4.201 4.176 1.253 1.00 0.00 S ATOM 0 H CYS A 38 -2.150 3.004 3.295 1.00 0.00 H new ATOM 0 HA CYS A 38 -1.191 4.008 0.624 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -2.825 5.125 2.965 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -2.573 5.921 1.424 1.00 0.00 H new ATOM 642 N ILE A 39 0.512 5.559 1.536 1.00 0.00 N ATOM 643 CA ILE A 39 1.542 6.437 2.065 1.00 0.00 C ATOM 644 C ILE A 39 1.851 7.528 1.039 1.00 0.00 C ATOM 645 O ILE A 39 1.531 7.387 -0.142 1.00 0.00 O ATOM 646 CB ILE A 39 2.830 5.669 2.412 1.00 0.00 C ATOM 647 CG1 ILE A 39 3.741 6.525 3.296 1.00 0.00 C ATOM 648 CG2 ILE A 39 3.556 5.248 1.144 1.00 0.00 C ATOM 649 CD1 ILE A 39 4.762 5.726 4.073 1.00 0.00 C ATOM 0 H ILE A 39 0.408 5.586 0.522 1.00 0.00 H new ATOM 0 HA ILE A 39 1.166 6.881 2.987 1.00 0.00 H new ATOM 0 HB ILE A 39 2.559 4.770 2.966 1.00 0.00 H new ATOM 0 HG12 ILE A 39 4.261 7.251 2.671 1.00 0.00 H new ATOM 0 HG13 ILE A 39 3.126 7.090 3.996 1.00 0.00 H new ATOM 0 HG21 ILE A 39 4.464 4.706 1.408 1.00 0.00 H new ATOM 0 HG22 ILE A 39 2.908 4.603 0.551 1.00 0.00 H new ATOM 0 HG23 ILE A 39 3.817 6.133 0.563 1.00 0.00 H new ATOM 0 HD11 ILE A 39 5.370 6.401 4.676 1.00 0.00 H new ATOM 0 HD12 ILE A 39 4.250 5.018 4.725 1.00 0.00 H new ATOM 0 HD13 ILE A 39 5.403 5.182 3.379 1.00 0.00 H new ATOM 661 N ASP A 40 2.471 8.594 1.523 1.00 0.00 N ATOM 662 CA ASP A 40 2.832 9.708 0.663 1.00 0.00 C ATOM 663 C ASP A 40 4.226 9.466 0.081 1.00 0.00 C ATOM 664 O ASP A 40 4.437 9.620 -1.121 1.00 0.00 O ATOM 665 CB ASP A 40 2.788 11.029 1.433 1.00 0.00 C ATOM 666 CG ASP A 40 3.593 11.031 2.726 1.00 0.00 C ATOM 667 OD1 ASP A 40 3.985 9.973 3.160 1.00 0.00 O ATOM 668 OD2 ASP A 40 3.943 12.094 3.183 1.00 0.00 O ATOM 0 H ASP A 40 2.733 8.710 2.502 1.00 0.00 H new ATOM 0 HA ASP A 40 2.110 9.778 -0.151 1.00 0.00 H new ATOM 0 HB2 ASP A 40 3.159 11.825 0.787 1.00 0.00 H new ATOM 0 HB3 ASP A 40 1.750 11.266 1.665 1.00 0.00 H new ATOM 674 N VAL A 41 5.142 9.090 0.961 1.00 0.00 N ATOM 675 CA VAL A 41 6.523 8.878 0.560 1.00 0.00 C ATOM 676 C VAL A 41 6.863 7.392 0.688 1.00 0.00 C ATOM 677 O VAL A 41 6.651 6.790 1.739 1.00 0.00 O ATOM 678 CB VAL A 41 7.503 9.711 1.409 1.00 0.00 C ATOM 679 CG1 VAL A 41 8.936 9.455 0.970 1.00 0.00 C ATOM 680 CG2 VAL A 41 7.171 11.192 1.304 1.00 0.00 C ATOM 0 H VAL A 41 4.955 8.927 1.950 1.00 0.00 H new ATOM 0 HA VAL A 41 6.628 9.202 -0.475 1.00 0.00 H new ATOM 0 HB VAL A 41 7.402 9.408 2.451 1.00 0.00 H new ATOM 0 HG11 VAL A 41 9.615 10.051 1.580 1.00 0.00 H new ATOM 0 HG12 VAL A 41 9.171 8.398 1.093 1.00 0.00 H new ATOM 0 HG13 VAL A 41 9.051 9.733 -0.078 1.00 0.00 H new ATOM 0 HG21 VAL A 41 7.873 11.766 1.909 1.00 0.00 H new ATOM 0 HG22 VAL A 41 7.246 11.509 0.264 1.00 0.00 H new ATOM 0 HG23 VAL A 41 6.156 11.364 1.664 1.00 0.00 H new ATOM 690 N CYS A 42 7.388 6.843 -0.399 1.00 0.00 N ATOM 691 CA CYS A 42 7.619 5.410 -0.476 1.00 0.00 C ATOM 692 C CYS A 42 8.762 5.056 0.478 1.00 0.00 C ATOM 693 O CYS A 42 9.870 5.574 0.343 1.00 0.00 O ATOM 694 CB CYS A 42 7.909 4.961 -1.909 1.00 0.00 C ATOM 695 SG CYS A 42 8.048 3.150 -2.131 1.00 0.00 S ATOM 0 H CYS A 42 7.660 7.364 -1.232 1.00 0.00 H new ATOM 0 HA CYS A 42 6.718 4.876 -0.174 1.00 0.00 H new ATOM 0 HB2 CYS A 42 7.117 5.333 -2.559 1.00 0.00 H new ATOM 0 HB3 CYS A 42 8.838 5.426 -2.240 1.00 0.00 H new ATOM 701 N PRO A 43 8.448 4.153 1.443 1.00 0.00 N ATOM 702 CA PRO A 43 9.431 3.734 2.427 1.00 0.00 C ATOM 703 C PRO A 43 10.518 2.869 1.782 1.00 0.00 C ATOM 704 O PRO A 43 10.222 2.011 0.953 1.00 0.00 O ATOM 705 CB PRO A 43 8.613 2.958 3.464 1.00 0.00 C ATOM 706 CG PRO A 43 7.420 2.476 2.711 1.00 0.00 C ATOM 707 CD PRO A 43 7.123 3.553 1.702 1.00 0.00 C ATOM 0 HA PRO A 43 9.966 4.570 2.877 1.00 0.00 H new ATOM 0 HB2 PRO A 43 9.183 2.127 3.879 1.00 0.00 H new ATOM 0 HB3 PRO A 43 8.324 3.595 4.300 1.00 0.00 H new ATOM 0 HG2 PRO A 43 7.623 1.524 2.221 1.00 0.00 H new ATOM 0 HG3 PRO A 43 6.572 2.317 3.378 1.00 0.00 H new ATOM 0 HD2 PRO A 43 6.683 3.142 0.793 1.00 0.00 H new ATOM 0 HD3 PRO A 43 6.419 4.287 2.093 1.00 0.00 H new ATOM 715 N LYS A 44 11.752 3.127 2.187 1.00 0.00 N ATOM 716 CA LYS A 44 12.883 2.376 1.668 1.00 0.00 C ATOM 717 C LYS A 44 12.839 0.949 2.216 1.00 0.00 C ATOM 718 O LYS A 44 12.196 0.691 3.234 1.00 0.00 O ATOM 719 CB LYS A 44 14.202 3.058 2.034 1.00 0.00 C ATOM 720 CG LYS A 44 14.415 4.414 1.374 1.00 0.00 C ATOM 721 CD LYS A 44 15.738 5.034 1.798 1.00 0.00 C ATOM 722 CE LYS A 44 15.981 6.358 1.090 1.00 0.00 C ATOM 723 NZ LYS A 44 17.269 6.981 1.500 1.00 0.00 N ATOM 0 H LYS A 44 11.994 3.846 2.869 1.00 0.00 H new ATOM 0 HA LYS A 44 12.820 2.342 0.580 1.00 0.00 H new ATOM 0 HB2 LYS A 44 14.244 3.184 3.116 1.00 0.00 H new ATOM 0 HB3 LYS A 44 15.026 2.400 1.758 1.00 0.00 H new ATOM 0 HG2 LYS A 44 14.395 4.300 0.290 1.00 0.00 H new ATOM 0 HG3 LYS A 44 13.596 5.083 1.639 1.00 0.00 H new ATOM 0 HD2 LYS A 44 15.739 5.191 2.877 1.00 0.00 H new ATOM 0 HD3 LYS A 44 16.553 4.345 1.575 1.00 0.00 H new ATOM 0 HE2 LYS A 44 15.983 6.198 0.012 1.00 0.00 H new ATOM 0 HE3 LYS A 44 15.161 7.042 1.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 17.396 7.881 0.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 17.258 7.158 2.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 18.054 6.340 1.268 1.00 0.00 H new ATOM 737 N ASN A 45 13.523 0.058 1.517 1.00 0.00 N ATOM 738 CA ASN A 45 13.471 -1.356 1.849 1.00 0.00 C ATOM 739 C ASN A 45 14.249 -1.605 3.141 1.00 0.00 C ATOM 740 O ASN A 45 15.289 -0.988 3.373 1.00 0.00 O ATOM 741 CB ASN A 45 14.007 -2.219 0.722 1.00 0.00 C ATOM 742 CG ASN A 45 13.147 -2.207 -0.512 1.00 0.00 C ATOM 743 OD1 ASN A 45 11.939 -1.953 -0.448 1.00 0.00 O ATOM 744 ND2 ASN A 45 13.746 -2.557 -1.622 1.00 0.00 N ATOM 0 H ASN A 45 14.118 0.287 0.720 1.00 0.00 H new ATOM 0 HA ASN A 45 12.428 -1.636 1.995 1.00 0.00 H new ATOM 0 HB2 ASN A 45 15.008 -1.877 0.459 1.00 0.00 H new ATOM 0 HB3 ASN A 45 14.103 -3.245 1.077 1.00 0.00 H new ATOM 0 HD21 ASN A 45 13.212 -2.631 -2.488 1.00 0.00 H new ATOM 0 HD22 ASN A 45 14.746 -2.756 -1.621 1.00 0.00 H new ATOM 751 N SER A 46 13.718 -2.506 3.952 1.00 0.00 N ATOM 752 CA SER A 46 14.374 -2.880 5.192 1.00 0.00 C ATOM 753 C SER A 46 14.944 -4.296 5.077 1.00 0.00 C ATOM 754 O SER A 46 14.742 -4.969 4.070 1.00 0.00 O ATOM 755 CB SER A 46 13.404 -2.781 6.353 1.00 0.00 C ATOM 756 OG SER A 46 12.367 -3.718 6.253 1.00 0.00 O ATOM 0 H SER A 46 12.838 -2.990 3.774 1.00 0.00 H new ATOM 0 HA SER A 46 15.197 -2.191 5.379 1.00 0.00 H new ATOM 0 HB2 SER A 46 13.942 -2.934 7.289 1.00 0.00 H new ATOM 0 HB3 SER A 46 12.983 -1.776 6.388 1.00 0.00 H new ATOM 0 HG SER A 46 12.307 -4.042 5.330 1.00 0.00 H new ATOM 762 N LEU A 47 15.646 -4.703 6.126 1.00 0.00 N ATOM 763 CA LEU A 47 16.309 -5.995 6.125 1.00 0.00 C ATOM 764 C LEU A 47 15.270 -7.098 6.332 1.00 0.00 C ATOM 765 O LEU A 47 15.487 -8.242 5.933 1.00 0.00 O ATOM 766 CB LEU A 47 17.390 -6.046 7.212 1.00 0.00 C ATOM 767 CG LEU A 47 18.551 -5.061 7.025 1.00 0.00 C ATOM 768 CD1 LEU A 47 19.483 -5.118 8.229 1.00 0.00 C ATOM 769 CD2 LEU A 47 19.302 -5.395 5.746 1.00 0.00 C ATOM 0 H LEU A 47 15.769 -4.161 6.981 1.00 0.00 H new ATOM 0 HA LEU A 47 16.800 -6.149 5.164 1.00 0.00 H new ATOM 0 HB2 LEU A 47 16.922 -5.852 8.177 1.00 0.00 H new ATOM 0 HB3 LEU A 47 17.795 -7.057 7.252 1.00 0.00 H new ATOM 0 HG LEU A 47 18.158 -4.048 6.945 1.00 0.00 H new ATOM 0 HD11 LEU A 47 20.304 -4.415 8.087 1.00 0.00 H new ATOM 0 HD12 LEU A 47 18.930 -4.853 9.130 1.00 0.00 H new ATOM 0 HD13 LEU A 47 19.883 -6.127 8.332 1.00 0.00 H new ATOM 0 HD21 LEU A 47 20.126 -4.694 5.615 1.00 0.00 H new ATOM 0 HD22 LEU A 47 19.695 -6.410 5.809 1.00 0.00 H new ATOM 0 HD23 LEU A 47 18.624 -5.321 4.896 1.00 0.00 H new ATOM 781 N LEU A 48 14.167 -6.716 6.959 1.00 0.00 N ATOM 782 CA LEU A 48 13.166 -7.686 7.366 1.00 0.00 C ATOM 783 C LEU A 48 12.053 -7.738 6.318 1.00 0.00 C ATOM 784 O LEU A 48 11.672 -8.814 5.863 1.00 0.00 O ATOM 785 CB LEU A 48 12.603 -7.333 8.748 1.00 0.00 C ATOM 786 CG LEU A 48 13.627 -7.338 9.891 1.00 0.00 C ATOM 787 CD1 LEU A 48 12.963 -6.896 11.188 1.00 0.00 C ATOM 788 CD2 LEU A 48 14.219 -8.731 10.036 1.00 0.00 C ATOM 0 H LEU A 48 13.945 -5.749 7.195 1.00 0.00 H new ATOM 0 HA LEU A 48 13.628 -8.671 7.439 1.00 0.00 H new ATOM 0 HB2 LEU A 48 12.146 -6.345 8.695 1.00 0.00 H new ATOM 0 HB3 LEU A 48 11.808 -8.039 8.990 1.00 0.00 H new ATOM 0 HG LEU A 48 14.430 -6.637 9.663 1.00 0.00 H new ATOM 0 HD11 LEU A 48 13.697 -6.903 11.993 1.00 0.00 H new ATOM 0 HD12 LEU A 48 12.565 -5.888 11.068 1.00 0.00 H new ATOM 0 HD13 LEU A 48 12.150 -7.580 11.432 1.00 0.00 H new ATOM 0 HD21 LEU A 48 14.946 -8.735 10.848 1.00 0.00 H new ATOM 0 HD22 LEU A 48 13.424 -9.443 10.258 1.00 0.00 H new ATOM 0 HD23 LEU A 48 14.712 -9.016 9.106 1.00 0.00 H new ATOM 800 N VAL A 49 11.563 -6.559 5.964 1.00 0.00 N ATOM 801 CA VAL A 49 10.421 -6.459 5.071 1.00 0.00 C ATOM 802 C VAL A 49 10.789 -5.575 3.878 1.00 0.00 C ATOM 803 O VAL A 49 11.561 -4.628 4.016 1.00 0.00 O ATOM 804 CB VAL A 49 9.183 -5.884 5.784 1.00 0.00 C ATOM 805 CG1 VAL A 49 8.701 -6.837 6.867 1.00 0.00 C ATOM 806 CG2 VAL A 49 9.495 -4.519 6.377 1.00 0.00 C ATOM 0 H VAL A 49 11.936 -5.664 6.280 1.00 0.00 H new ATOM 0 HA VAL A 49 10.168 -7.464 4.732 1.00 0.00 H new ATOM 0 HB VAL A 49 8.387 -5.766 5.049 1.00 0.00 H new ATOM 0 HG11 VAL A 49 7.826 -6.414 7.360 1.00 0.00 H new ATOM 0 HG12 VAL A 49 8.438 -7.795 6.418 1.00 0.00 H new ATOM 0 HG13 VAL A 49 9.494 -6.986 7.600 1.00 0.00 H new ATOM 0 HG21 VAL A 49 8.609 -4.128 6.877 1.00 0.00 H new ATOM 0 HG22 VAL A 49 10.307 -4.613 7.098 1.00 0.00 H new ATOM 0 HG23 VAL A 49 9.794 -3.836 5.581 1.00 0.00 H new ATOM 816 N LYS A 50 10.217 -5.915 2.732 1.00 0.00 N ATOM 817 CA LYS A 50 10.470 -5.160 1.516 1.00 0.00 C ATOM 818 C LYS A 50 9.264 -4.268 1.214 1.00 0.00 C ATOM 819 O LYS A 50 8.124 -4.646 1.481 1.00 0.00 O ATOM 820 CB LYS A 50 10.758 -6.097 0.341 1.00 0.00 C ATOM 821 CG LYS A 50 11.023 -5.386 -0.980 1.00 0.00 C ATOM 822 CD LYS A 50 11.291 -6.382 -2.099 1.00 0.00 C ATOM 823 CE LYS A 50 11.551 -5.673 -3.419 1.00 0.00 C ATOM 824 NZ LYS A 50 11.765 -6.635 -4.535 1.00 0.00 N ATOM 0 H LYS A 50 9.579 -6.703 2.620 1.00 0.00 H new ATOM 0 HA LYS A 50 11.351 -4.535 1.662 1.00 0.00 H new ATOM 0 HB2 LYS A 50 11.622 -6.714 0.587 1.00 0.00 H new ATOM 0 HB3 LYS A 50 9.911 -6.771 0.213 1.00 0.00 H new ATOM 0 HG2 LYS A 50 10.165 -4.765 -1.240 1.00 0.00 H new ATOM 0 HG3 LYS A 50 11.878 -4.719 -0.871 1.00 0.00 H new ATOM 0 HD2 LYS A 50 12.151 -7.000 -1.840 1.00 0.00 H new ATOM 0 HD3 LYS A 50 10.437 -7.051 -2.205 1.00 0.00 H new ATOM 0 HE2 LYS A 50 10.707 -5.025 -3.655 1.00 0.00 H new ATOM 0 HE3 LYS A 50 12.427 -5.032 -3.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 11.939 -6.111 -5.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 12.586 -7.237 -4.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 10.920 -7.230 -4.647 1.00 0.00 H new ATOM 838 N TYR A 51 9.556 -3.099 0.663 1.00 0.00 N ATOM 839 CA TYR A 51 8.514 -2.131 0.365 1.00 0.00 C ATOM 840 C TYR A 51 8.427 -1.866 -1.140 1.00 0.00 C ATOM 841 O TYR A 51 9.424 -1.518 -1.771 1.00 0.00 O ATOM 842 CB TYR A 51 8.768 -0.824 1.120 1.00 0.00 C ATOM 843 CG TYR A 51 8.684 -0.960 2.624 1.00 0.00 C ATOM 844 CD1 TYR A 51 9.812 -1.241 3.380 1.00 0.00 C ATOM 845 CD2 TYR A 51 7.473 -0.805 3.284 1.00 0.00 C ATOM 846 CE1 TYR A 51 9.740 -1.366 4.754 1.00 0.00 C ATOM 847 CE2 TYR A 51 7.388 -0.927 4.658 1.00 0.00 C ATOM 848 CZ TYR A 51 8.525 -1.207 5.389 1.00 0.00 C ATOM 849 OH TYR A 51 8.447 -1.330 6.758 1.00 0.00 O ATOM 0 H TYR A 51 10.499 -2.800 0.415 1.00 0.00 H new ATOM 0 HA TYR A 51 7.562 -2.547 0.693 1.00 0.00 H new ATOM 0 HB2 TYR A 51 9.756 -0.448 0.853 1.00 0.00 H new ATOM 0 HB3 TYR A 51 8.044 -0.079 0.791 1.00 0.00 H new ATOM 0 HD1 TYR A 51 10.764 -1.364 2.886 1.00 0.00 H new ATOM 0 HD2 TYR A 51 6.582 -0.585 2.714 1.00 0.00 H new ATOM 0 HE1 TYR A 51 10.628 -1.587 5.327 1.00 0.00 H new ATOM 0 HE2 TYR A 51 6.438 -0.804 5.157 1.00 0.00 H new ATOM 0 HH TYR A 51 7.521 -1.188 7.047 1.00 0.00 H new ATOM 859 N VAL A 52 7.227 -2.042 -1.670 1.00 0.00 N ATOM 860 CA VAL A 52 6.955 -1.670 -3.049 1.00 0.00 C ATOM 861 C VAL A 52 5.755 -0.723 -3.091 1.00 0.00 C ATOM 862 O VAL A 52 4.719 -1.001 -2.485 1.00 0.00 O ATOM 863 CB VAL A 52 6.678 -2.901 -3.933 1.00 0.00 C ATOM 864 CG1 VAL A 52 6.438 -2.478 -5.374 1.00 0.00 C ATOM 865 CG2 VAL A 52 7.835 -3.885 -3.853 1.00 0.00 C ATOM 0 H VAL A 52 6.431 -2.437 -1.170 1.00 0.00 H new ATOM 0 HA VAL A 52 7.841 -1.174 -3.445 1.00 0.00 H new ATOM 0 HB VAL A 52 5.779 -3.395 -3.564 1.00 0.00 H new ATOM 0 HG11 VAL A 52 6.244 -3.360 -5.985 1.00 0.00 H new ATOM 0 HG12 VAL A 52 5.578 -1.809 -5.419 1.00 0.00 H new ATOM 0 HG13 VAL A 52 7.320 -1.961 -5.753 1.00 0.00 H new ATOM 0 HG21 VAL A 52 7.623 -4.748 -4.483 1.00 0.00 H new ATOM 0 HG22 VAL A 52 8.749 -3.401 -4.197 1.00 0.00 H new ATOM 0 HG23 VAL A 52 7.964 -4.212 -2.821 1.00 0.00 H new ATOM 875 N CYS A 53 5.932 0.375 -3.811 1.00 0.00 N ATOM 876 CA CYS A 53 4.885 1.377 -3.918 1.00 0.00 C ATOM 877 C CYS A 53 4.512 1.529 -5.393 1.00 0.00 C ATOM 878 O CYS A 53 5.273 1.130 -6.274 1.00 0.00 O ATOM 879 CB CYS A 53 5.315 2.709 -3.298 1.00 0.00 C ATOM 880 SG CYS A 53 6.165 2.566 -1.684 1.00 0.00 S ATOM 0 H CYS A 53 6.785 0.593 -4.326 1.00 0.00 H new ATOM 0 HA CYS A 53 4.009 1.053 -3.356 1.00 0.00 H new ATOM 0 HB2 CYS A 53 5.976 3.222 -3.997 1.00 0.00 H new ATOM 0 HB3 CYS A 53 4.433 3.337 -3.174 1.00 0.00 H new ATOM 886 N CYS A 54 3.340 2.104 -5.618 1.00 0.00 N ATOM 887 CA CYS A 54 2.907 2.416 -6.968 1.00 0.00 C ATOM 888 C CYS A 54 1.843 3.514 -6.893 1.00 0.00 C ATOM 889 O CYS A 54 1.105 3.599 -5.913 1.00 0.00 O ATOM 890 CB CYS A 54 2.392 1.173 -7.699 1.00 0.00 C ATOM 891 SG CYS A 54 1.314 0.088 -6.698 1.00 0.00 S ATOM 0 H CYS A 54 2.677 2.362 -4.887 1.00 0.00 H new ATOM 0 HA CYS A 54 3.757 2.775 -7.549 1.00 0.00 H new ATOM 0 HB2 CYS A 54 1.842 1.491 -8.585 1.00 0.00 H new ATOM 0 HB3 CYS A 54 3.247 0.592 -8.046 1.00 0.00 H new ATOM 897 N ASN A 55 1.801 4.327 -7.937 1.00 0.00 N ATOM 898 CA ASN A 55 1.193 5.644 -7.837 1.00 0.00 C ATOM 899 C ASN A 55 -0.168 5.626 -8.534 1.00 0.00 C ATOM 900 O ASN A 55 -0.570 6.616 -9.141 1.00 0.00 O ATOM 901 CB ASN A 55 2.087 6.724 -8.421 1.00 0.00 C ATOM 902 CG ASN A 55 2.383 6.540 -9.883 1.00 0.00 C ATOM 903 OD1 ASN A 55 2.090 5.491 -10.469 1.00 0.00 O ATOM 904 ND2 ASN A 55 3.035 7.520 -10.455 1.00 0.00 N ATOM 0 H ASN A 55 2.178 4.100 -8.857 1.00 0.00 H new ATOM 0 HA ASN A 55 1.058 5.884 -6.782 1.00 0.00 H new ATOM 0 HB2 ASN A 55 1.612 7.694 -8.275 1.00 0.00 H new ATOM 0 HB3 ASN A 55 3.027 6.743 -7.869 1.00 0.00 H new ATOM 0 HD21 ASN A 55 3.326 7.439 -11.429 1.00 0.00 H new ATOM 0 HD22 ASN A 55 3.252 8.365 -9.927 1.00 0.00 H new ATOM 911 N THR A 56 -0.839 4.489 -8.423 1.00 0.00 N ATOM 912 CA THR A 56 -2.204 4.378 -8.908 1.00 0.00 C ATOM 913 C THR A 56 -3.078 3.657 -7.877 1.00 0.00 C ATOM 914 O THR A 56 -2.571 3.130 -6.888 1.00 0.00 O ATOM 915 CB THR A 56 -2.267 3.624 -10.250 1.00 0.00 C ATOM 916 OG1 THR A 56 -1.671 2.329 -10.103 1.00 0.00 O ATOM 917 CG2 THR A 56 -1.530 4.399 -11.331 1.00 0.00 C ATOM 0 H THR A 56 -0.463 3.638 -8.005 1.00 0.00 H new ATOM 0 HA THR A 56 -2.580 5.389 -9.063 1.00 0.00 H new ATOM 0 HB THR A 56 -3.312 3.518 -10.542 1.00 0.00 H new ATOM 0 HG1 THR A 56 -1.714 1.850 -10.957 1.00 0.00 H new ATOM 0 HG21 THR A 56 -1.585 3.852 -12.272 1.00 0.00 H new ATOM 0 HG22 THR A 56 -1.990 5.379 -11.454 1.00 0.00 H new ATOM 0 HG23 THR A 56 -0.486 4.522 -11.043 1.00 0.00 H new ATOM 925 N ASP A 57 -4.375 3.659 -8.145 1.00 0.00 N ATOM 926 CA ASP A 57 -5.340 3.168 -7.175 1.00 0.00 C ATOM 927 C ASP A 57 -5.310 1.639 -7.161 1.00 0.00 C ATOM 928 O ASP A 57 -5.278 1.006 -8.215 1.00 0.00 O ATOM 929 CB ASP A 57 -6.747 3.679 -7.498 1.00 0.00 C ATOM 930 CG ASP A 57 -6.962 5.158 -7.205 1.00 0.00 C ATOM 931 OD1 ASP A 57 -6.681 5.573 -6.105 1.00 0.00 O ATOM 932 OD2 ASP A 57 -7.255 5.888 -8.121 1.00 0.00 O ATOM 0 H ASP A 57 -4.781 3.993 -9.019 1.00 0.00 H new ATOM 0 HA ASP A 57 -5.072 3.541 -6.187 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -6.953 3.496 -8.553 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -7.471 3.099 -6.926 1.00 0.00 H new ATOM 938 N ARG A 58 -5.320 1.091 -5.955 1.00 0.00 N ATOM 939 CA ARG A 58 -5.466 -0.346 -5.787 1.00 0.00 C ATOM 940 C ARG A 58 -4.430 -1.086 -6.632 1.00 0.00 C ATOM 941 O ARG A 58 -4.686 -2.189 -7.112 1.00 0.00 O ATOM 942 CB ARG A 58 -6.868 -0.808 -6.193 1.00 0.00 C ATOM 943 CG ARG A 58 -7.936 -0.161 -5.307 1.00 0.00 C ATOM 944 CD ARG A 58 -9.310 -0.218 -5.978 1.00 0.00 C ATOM 945 NE ARG A 58 -9.390 0.795 -7.055 1.00 0.00 N ATOM 946 CZ ARG A 58 -10.394 0.866 -7.955 1.00 0.00 C ATOM 947 NH1 ARG A 58 -10.363 1.812 -8.874 1.00 0.00 N ATOM 948 NH2 ARG A 58 -11.412 -0.020 -7.916 1.00 0.00 N ATOM 0 H ARG A 58 -5.229 1.615 -5.085 1.00 0.00 H new ATOM 0 HA ARG A 58 -5.311 -0.574 -4.733 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -7.052 -0.552 -7.236 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -6.934 -1.893 -6.115 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -7.975 -0.672 -4.345 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -7.668 0.876 -5.106 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -9.482 -1.213 -6.389 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -10.092 -0.039 -5.240 1.00 0.00 H new ATOM 0 HE ARG A 58 -8.639 1.482 -7.121 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -9.589 2.475 -8.897 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -11.113 1.880 -9.562 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -11.426 -0.749 -7.203 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -12.167 0.040 -8.599 1.00 0.00 H new ATOM 962 N CYS A 59 -3.276 -0.451 -6.789 1.00 0.00 N ATOM 963 CA CYS A 59 -2.248 -0.972 -7.672 1.00 0.00 C ATOM 964 C CYS A 59 -1.431 -2.009 -6.899 1.00 0.00 C ATOM 965 O CYS A 59 -0.830 -2.901 -7.497 1.00 0.00 O ATOM 966 CB CYS A 59 -1.408 0.262 -8.002 1.00 0.00 C ATOM 967 SG CYS A 59 -0.507 0.954 -6.595 1.00 0.00 S ATOM 0 H CYS A 59 -3.032 0.420 -6.318 1.00 0.00 H new ATOM 0 HA CYS A 59 -2.624 -1.461 -8.571 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -0.693 0.001 -8.782 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -2.062 1.032 -8.413 1.00 0.00 H new ATOM 973 N ASN A 60 -1.433 -1.859 -5.582 1.00 0.00 N ATOM 974 CA ASN A 60 -0.664 -2.744 -4.725 1.00 0.00 C ATOM 975 C ASN A 60 -1.515 -3.964 -4.365 1.00 0.00 C ATOM 976 O ASN A 60 -1.482 -4.975 -5.064 1.00 0.00 O ATOM 977 CB ASN A 60 -0.267 -2.043 -3.424 1.00 0.00 C ATOM 978 CG ASN A 60 -1.505 -1.582 -2.651 1.00 0.00 C ATOM 979 OD1 ASN A 60 -2.634 -1.864 -3.012 1.00 0.00 O ATOM 980 ND2 ASN A 60 -1.228 -0.859 -1.569 1.00 0.00 N ATOM 981 OXT ASN A 60 -2.220 -3.938 -3.396 1.00 0.00 O ATOM 0 H ASN A 60 -1.956 -1.136 -5.088 1.00 0.00 H new ATOM 0 HA ASN A 60 0.236 -3.039 -5.265 1.00 0.00 H new ATOM 0 HB2 ASN A 60 0.321 -2.721 -2.806 1.00 0.00 H new ATOM 0 HB3 ASN A 60 0.367 -1.185 -3.648 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -1.985 -0.504 -0.985 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -0.258 -0.659 -1.324 1.00 0.00 H new