USER MOD reduce.3.24.130724 H: found=0, std=0, add=489, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 493 hydrogens (2 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 45 ASN : amide:sc= -3.5! C(o=-3.5!,f=-11!) USER MOD Set 1.2: A 50 LYS NZ :NH3+ 177:sc= 0 (180deg=0) USER MOD Set 2.1: A 1 LEU N :NH3+ 150:sc= 0.172 (180deg=0) USER MOD Set 2.2: A 19 ASN : amide:sc= -0.0591 K(o=0.11,f=-2.9!) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 ASN : amide:sc= -4.34! C(o=-4.3!,f=-4.5!) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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= -3.53! USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 MET CE :methyl -143:sc= -0.399 (180deg=-2.31!) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 167:sc= 0.00921 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 46 SER OG : rot -27:sc= 1.62 USER MOD Single : A 51 TYR OH : rot 127:sc= 0.39 USER MOD Single : A 55 ASN : amide:sc= -0.511 K(o=-0.51,f=-1.8) USER MOD Single : A 56 THR OG1 : rot 180:sc= -1.51! USER MOD Single : A 60 ASN : amide:sc= -3.3! C(o=-3.3!,f=-16!) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 -10.789 7.891 -2.761 1.00 0.00 N ATOM 2 CA LEU A 1 -11.228 6.750 -3.545 1.00 0.00 C ATOM 3 C LEU A 1 -11.577 5.594 -2.605 1.00 0.00 C ATOM 4 O LEU A 1 -11.346 5.679 -1.400 1.00 0.00 O ATOM 5 CB LEU A 1 -10.180 6.388 -4.599 1.00 0.00 C ATOM 6 CG LEU A 1 -8.954 5.625 -4.093 1.00 0.00 C ATOM 7 CD1 LEU A 1 -8.610 4.461 -5.025 1.00 0.00 C ATOM 8 CD2 LEU A 1 -7.766 6.567 -3.890 1.00 0.00 C ATOM 0 H1 LEU A 1 -10.106 8.449 -3.312 1.00 0.00 H new ATOM 0 H2 LEU A 1 -11.609 8.484 -2.522 1.00 0.00 H new ATOM 0 H3 LEU A 1 -10.337 7.558 -1.886 1.00 0.00 H new ATOM 0 HA LEU A 1 -12.133 6.996 -4.100 1.00 0.00 H new ATOM 0 HB2 LEU A 1 -10.662 5.789 -5.371 1.00 0.00 H new ATOM 0 HB3 LEU A 1 -9.840 7.308 -5.075 1.00 0.00 H new ATOM 0 HG LEU A 1 -9.195 5.198 -3.120 1.00 0.00 H new ATOM 0 HD11 LEU A 1 -7.735 3.935 -4.643 1.00 0.00 H new ATOM 0 HD12 LEU A 1 -9.454 3.773 -5.075 1.00 0.00 H new ATOM 0 HD13 LEU A 1 -8.396 4.845 -6.022 1.00 0.00 H new ATOM 0 HD21 LEU A 1 -6.908 5.999 -3.530 1.00 0.00 H new ATOM 0 HD22 LEU A 1 -7.514 7.044 -4.837 1.00 0.00 H new ATOM 0 HD23 LEU A 1 -8.028 7.331 -3.158 1.00 0.00 H new ATOM 20 N LYS A 2 -12.129 4.542 -3.191 1.00 0.00 N ATOM 21 CA LYS A 2 -12.512 3.371 -2.421 1.00 0.00 C ATOM 22 C LYS A 2 -11.506 2.246 -2.675 1.00 0.00 C ATOM 23 O LYS A 2 -11.048 2.061 -3.802 1.00 0.00 O ATOM 24 CB LYS A 2 -13.961 2.981 -2.725 1.00 0.00 C ATOM 25 CG LYS A 2 -14.897 4.180 -2.564 1.00 0.00 C ATOM 26 CD LYS A 2 -15.808 4.331 -3.783 1.00 0.00 C ATOM 27 CE LYS A 2 -16.879 3.239 -3.806 1.00 0.00 C ATOM 28 NZ LYS A 2 -18.216 3.827 -4.046 1.00 0.00 N ATOM 0 H LYS A 2 -12.320 4.476 -4.191 1.00 0.00 H new ATOM 0 HA LYS A 2 -12.482 3.590 -1.354 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -14.032 2.594 -3.742 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -14.273 2.179 -2.056 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -15.502 4.055 -1.666 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -14.310 5.089 -2.429 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -16.284 5.312 -3.767 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -15.213 4.281 -4.695 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -16.649 2.513 -4.586 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -16.877 2.700 -2.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -18.930 3.071 -4.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -18.439 4.502 -3.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -18.219 4.321 -4.961 1.00 0.00 H new ATOM 42 N CYS A 3 -11.191 1.527 -1.609 1.00 0.00 N ATOM 43 CA CYS A 3 -10.248 0.425 -1.701 1.00 0.00 C ATOM 44 C CYS A 3 -10.766 -0.725 -0.837 1.00 0.00 C ATOM 45 O CYS A 3 -11.538 -0.508 0.094 1.00 0.00 O ATOM 46 CB CYS A 3 -8.836 0.853 -1.296 1.00 0.00 C ATOM 47 SG CYS A 3 -8.131 1.967 -2.565 1.00 0.00 S ATOM 0 H CYS A 3 -11.572 1.686 -0.676 1.00 0.00 H new ATOM 0 HA CYS A 3 -10.173 0.094 -2.737 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -8.863 1.359 -0.331 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -8.201 -0.025 -1.178 1.00 0.00 H new ATOM 52 N ASN A 4 -10.320 -1.926 -1.177 1.00 0.00 N ATOM 53 CA ASN A 4 -10.728 -3.111 -0.443 1.00 0.00 C ATOM 54 C ASN A 4 -9.710 -3.399 0.663 1.00 0.00 C ATOM 55 O ASN A 4 -8.607 -2.854 0.652 1.00 0.00 O ATOM 56 CB ASN A 4 -10.786 -4.335 -1.361 1.00 0.00 C ATOM 57 CG ASN A 4 -11.558 -4.021 -2.644 1.00 0.00 C ATOM 58 OD1 ASN A 4 -12.751 -4.256 -2.754 1.00 0.00 O ATOM 59 ND2 ASN A 4 -10.815 -3.479 -3.604 1.00 0.00 N ATOM 0 H ASN A 4 -9.680 -2.103 -1.951 1.00 0.00 H new ATOM 0 HA ASN A 4 -11.718 -2.924 -0.026 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -9.774 -4.656 -1.610 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -11.264 -5.164 -0.838 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -11.238 -3.233 -4.499 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -9.822 -3.309 -3.446 1.00 0.00 H new ATOM 66 N LYS A 5 -10.116 -4.252 1.590 1.00 0.00 N ATOM 67 CA LYS A 5 -9.253 -4.618 2.701 1.00 0.00 C ATOM 68 C LYS A 5 -8.357 -5.785 2.281 1.00 0.00 C ATOM 69 O LYS A 5 -7.919 -5.856 1.134 1.00 0.00 O ATOM 70 CB LYS A 5 -10.083 -4.900 3.954 1.00 0.00 C ATOM 71 CG LYS A 5 -11.164 -3.835 4.147 1.00 0.00 C ATOM 72 CD LYS A 5 -12.562 -4.434 3.979 1.00 0.00 C ATOM 73 CE LYS A 5 -13.628 -3.337 3.942 1.00 0.00 C ATOM 74 NZ LYS A 5 -14.391 -3.314 5.210 1.00 0.00 N ATOM 0 H LYS A 5 -11.032 -4.701 1.596 1.00 0.00 H new ATOM 0 HA LYS A 5 -8.596 -3.789 2.963 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -10.546 -5.883 3.874 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -9.432 -4.925 4.828 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -11.071 -3.393 5.139 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -11.020 -3.031 3.425 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -12.603 -5.017 3.059 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -12.769 -5.120 4.801 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -13.156 -2.368 3.777 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -14.306 -3.508 3.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -15.110 -2.564 5.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -14.857 -4.233 5.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -13.743 -3.129 6.002 1.00 0.00 H new ATOM 88 N LEU A 6 -8.109 -6.671 3.234 1.00 0.00 N ATOM 89 CA LEU A 6 -7.273 -7.832 2.979 1.00 0.00 C ATOM 90 C LEU A 6 -7.778 -8.553 1.728 1.00 0.00 C ATOM 91 O LEU A 6 -6.983 -9.033 0.920 1.00 0.00 O ATOM 92 CB LEU A 6 -7.203 -8.726 4.218 1.00 0.00 C ATOM 93 CG LEU A 6 -6.465 -10.055 4.046 1.00 0.00 C ATOM 94 CD1 LEU A 6 -5.124 -10.037 4.781 1.00 0.00 C ATOM 95 CD2 LEU A 6 -7.342 -11.230 4.483 1.00 0.00 C ATOM 0 H LEU A 6 -8.473 -6.608 4.185 1.00 0.00 H new ATOM 0 HA LEU A 6 -6.246 -7.525 2.779 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -6.720 -8.166 5.019 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -8.220 -8.938 4.546 1.00 0.00 H new ATOM 0 HG LEU A 6 -6.249 -10.191 2.986 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -4.620 -10.994 4.642 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -4.501 -9.237 4.381 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -5.294 -9.867 5.844 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -6.793 -12.163 4.350 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -7.610 -11.113 5.533 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -8.248 -11.253 3.877 1.00 0.00 H new ATOM 107 N VAL A 7 -9.096 -8.608 1.608 1.00 0.00 N ATOM 108 CA VAL A 7 -9.717 -9.263 0.468 1.00 0.00 C ATOM 109 C VAL A 7 -10.390 -8.212 -0.415 1.00 0.00 C ATOM 110 O VAL A 7 -11.054 -7.306 0.088 1.00 0.00 O ATOM 111 CB VAL A 7 -10.683 -10.347 0.950 1.00 0.00 C ATOM 112 CG1 VAL A 7 -11.522 -10.889 -0.209 1.00 0.00 C ATOM 113 CG2 VAL A 7 -9.932 -11.476 1.658 1.00 0.00 C ATOM 0 H VAL A 7 -9.751 -8.210 2.281 1.00 0.00 H new ATOM 0 HA VAL A 7 -8.965 -9.764 -0.141 1.00 0.00 H new ATOM 0 HB VAL A 7 -11.362 -9.893 1.671 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -12.200 -11.658 0.161 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -12.100 -10.077 -0.650 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -10.864 -11.318 -0.965 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -10.642 -12.233 1.990 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -9.218 -11.926 0.969 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -9.400 -11.074 2.520 1.00 0.00 H new ATOM 123 N PRO A 8 -10.192 -8.371 -1.751 1.00 0.00 N ATOM 124 CA PRO A 8 -10.773 -7.445 -2.709 1.00 0.00 C ATOM 125 C PRO A 8 -12.275 -7.691 -2.868 1.00 0.00 C ATOM 126 O PRO A 8 -12.783 -7.755 -3.987 1.00 0.00 O ATOM 127 CB PRO A 8 -9.995 -7.671 -3.996 1.00 0.00 C ATOM 128 CG PRO A 8 -9.328 -9.028 -3.846 1.00 0.00 C ATOM 129 CD PRO A 8 -9.413 -9.432 -2.383 1.00 0.00 C ATOM 0 HA PRO A 8 -10.696 -6.406 -2.389 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -10.658 -7.655 -4.861 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -9.254 -6.886 -4.148 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -9.823 -9.768 -4.475 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -8.288 -8.980 -4.169 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -9.897 -10.402 -2.267 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -8.422 -9.515 -1.937 1.00 0.00 H new ATOM 137 N ILE A 9 -12.944 -7.822 -1.731 1.00 0.00 N ATOM 138 CA ILE A 9 -14.378 -8.060 -1.730 1.00 0.00 C ATOM 139 C ILE A 9 -15.078 -6.921 -0.987 1.00 0.00 C ATOM 140 O ILE A 9 -16.127 -6.444 -1.419 1.00 0.00 O ATOM 141 CB ILE A 9 -14.690 -9.446 -1.166 1.00 0.00 C ATOM 142 CG1 ILE A 9 -16.124 -9.864 -1.500 1.00 0.00 C ATOM 143 CG2 ILE A 9 -14.412 -9.502 0.338 1.00 0.00 C ATOM 144 CD1 ILE A 9 -17.136 -8.940 -0.818 1.00 0.00 C ATOM 0 H ILE A 9 -12.520 -7.768 -0.805 1.00 0.00 H new ATOM 0 HA ILE A 9 -14.765 -8.062 -2.749 1.00 0.00 H new ATOM 0 HB ILE A 9 -14.025 -10.166 -1.643 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -16.272 -9.838 -2.580 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -16.291 -10.892 -1.180 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -14.642 -10.499 0.714 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -13.361 -9.279 0.522 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -15.034 -8.768 0.851 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -18.147 -9.258 -1.071 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -17.001 -8.987 0.263 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -16.982 -7.916 -1.159 1.00 0.00 H new ATOM 156 N ALA A 10 -14.470 -6.516 0.119 1.00 0.00 N ATOM 157 CA ALA A 10 -15.023 -5.442 0.926 1.00 0.00 C ATOM 158 C ALA A 10 -14.116 -4.214 0.824 1.00 0.00 C ATOM 159 O ALA A 10 -12.914 -4.303 1.072 1.00 0.00 O ATOM 160 CB ALA A 10 -15.192 -5.923 2.369 1.00 0.00 C ATOM 0 H ALA A 10 -13.600 -6.912 0.475 1.00 0.00 H new ATOM 0 HA ALA A 10 -16.009 -5.155 0.560 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -15.607 -5.117 2.975 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -15.867 -6.778 2.391 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -14.222 -6.216 2.771 1.00 0.00 H new ATOM 166 N TYR A 11 -14.726 -3.097 0.458 1.00 0.00 N ATOM 167 CA TYR A 11 -13.988 -1.853 0.319 1.00 0.00 C ATOM 168 C TYR A 11 -14.840 -0.658 0.755 1.00 0.00 C ATOM 169 O TYR A 11 -16.066 -0.702 0.668 1.00 0.00 O ATOM 170 CB TYR A 11 -13.665 -1.717 -1.170 1.00 0.00 C ATOM 171 CG TYR A 11 -14.892 -1.783 -2.081 1.00 0.00 C ATOM 172 CD1 TYR A 11 -15.462 -3.002 -2.385 1.00 0.00 C ATOM 173 CD2 TYR A 11 -15.430 -0.622 -2.599 1.00 0.00 C ATOM 174 CE1 TYR A 11 -16.617 -3.064 -3.242 1.00 0.00 C ATOM 175 CE2 TYR A 11 -16.585 -0.683 -3.457 1.00 0.00 C ATOM 176 CZ TYR A 11 -17.122 -1.901 -3.737 1.00 0.00 C ATOM 177 OH TYR A 11 -18.213 -1.960 -4.546 1.00 0.00 O ATOM 0 H TYR A 11 -15.723 -3.027 0.253 1.00 0.00 H new ATOM 0 HA TYR A 11 -13.093 -1.867 0.941 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -13.153 -0.769 -1.335 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -12.971 -2.508 -1.455 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -15.041 -3.910 -1.980 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -14.984 0.333 -2.361 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -17.073 -4.012 -3.487 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -17.015 0.218 -3.869 1.00 0.00 H new ATOM 0 HH TYR A 11 -18.464 -1.054 -4.824 1.00 0.00 H new ATOM 187 N LYS A 12 -14.156 0.379 1.215 1.00 0.00 N ATOM 188 CA LYS A 12 -14.835 1.582 1.664 1.00 0.00 C ATOM 189 C LYS A 12 -14.081 2.811 1.149 1.00 0.00 C ATOM 190 O LYS A 12 -12.988 2.686 0.599 1.00 0.00 O ATOM 191 CB LYS A 12 -15.012 1.562 3.183 1.00 0.00 C ATOM 192 CG LYS A 12 -16.366 0.962 3.569 1.00 0.00 C ATOM 193 CD LYS A 12 -17.485 1.996 3.426 1.00 0.00 C ATOM 194 CE LYS A 12 -17.520 2.936 4.633 1.00 0.00 C ATOM 195 NZ LYS A 12 -18.898 3.053 5.159 1.00 0.00 N ATOM 0 H LYS A 12 -13.139 0.411 1.286 1.00 0.00 H new ATOM 0 HA LYS A 12 -15.842 1.628 1.249 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -14.210 0.982 3.639 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -14.934 2.576 3.575 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -16.579 0.100 2.937 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -16.328 0.602 4.597 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -17.336 2.574 2.514 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -18.444 1.488 3.328 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -16.857 2.561 5.413 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -17.149 3.920 4.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -18.904 3.694 5.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -19.521 3.432 4.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -19.239 2.115 5.452 1.00 0.00 H new ATOM 209 N THR A 13 -14.694 3.968 1.348 1.00 0.00 N ATOM 210 CA THR A 13 -14.094 5.217 0.911 1.00 0.00 C ATOM 211 C THR A 13 -13.113 5.735 1.964 1.00 0.00 C ATOM 212 O THR A 13 -13.402 5.695 3.159 1.00 0.00 O ATOM 213 CB THR A 13 -15.224 6.200 0.597 1.00 0.00 C ATOM 214 OG1 THR A 13 -15.427 6.059 -0.806 1.00 0.00 O ATOM 215 CG2 THR A 13 -14.795 7.659 0.767 1.00 0.00 C ATOM 0 H THR A 13 -15.600 4.067 1.806 1.00 0.00 H new ATOM 0 HA THR A 13 -13.505 5.077 0.005 1.00 0.00 H new ATOM 0 HB THR A 13 -16.075 5.994 1.246 1.00 0.00 H new ATOM 0 HG1 THR A 13 -16.145 6.660 -1.095 1.00 0.00 H new ATOM 0 HG21 THR A 13 -15.634 8.315 0.532 1.00 0.00 H new ATOM 0 HG22 THR A 13 -14.480 7.828 1.797 1.00 0.00 H new ATOM 0 HG23 THR A 13 -13.966 7.875 0.094 1.00 0.00 H new ATOM 223 N CYS A 14 -11.973 6.210 1.484 1.00 0.00 N ATOM 224 CA CYS A 14 -10.948 6.734 2.369 1.00 0.00 C ATOM 225 C CYS A 14 -10.729 8.210 2.028 1.00 0.00 C ATOM 226 O CYS A 14 -9.748 8.561 1.377 1.00 0.00 O ATOM 227 CB CYS A 14 -9.651 5.929 2.274 1.00 0.00 C ATOM 228 SG CYS A 14 -9.818 4.362 3.205 1.00 0.00 S ATOM 0 H CYS A 14 -11.737 6.243 0.492 1.00 0.00 H new ATOM 0 HA CYS A 14 -11.278 6.645 3.404 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -9.420 5.718 1.230 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -8.821 6.512 2.673 1.00 0.00 H new ATOM 233 N PRO A 15 -11.685 9.056 2.499 1.00 0.00 N ATOM 234 CA PRO A 15 -11.606 10.486 2.250 1.00 0.00 C ATOM 235 C PRO A 15 -10.544 11.139 3.137 1.00 0.00 C ATOM 236 O PRO A 15 -9.716 11.910 2.655 1.00 0.00 O ATOM 237 CB PRO A 15 -13.008 11.009 2.519 1.00 0.00 C ATOM 238 CG PRO A 15 -13.699 9.941 3.351 1.00 0.00 C ATOM 239 CD PRO A 15 -12.862 8.676 3.274 1.00 0.00 C ATOM 0 HA PRO A 15 -11.296 10.720 1.231 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -12.975 11.959 3.053 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -13.544 11.186 1.587 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -13.800 10.269 4.385 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -14.705 9.756 2.975 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -12.585 8.324 4.268 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -13.410 7.867 2.790 1.00 0.00 H new ATOM 247 N GLU A 16 -10.602 10.804 4.419 1.00 0.00 N ATOM 248 CA GLU A 16 -9.655 11.348 5.378 1.00 0.00 C ATOM 249 C GLU A 16 -8.274 11.491 4.737 1.00 0.00 C ATOM 250 O GLU A 16 -7.460 10.570 4.793 1.00 0.00 O ATOM 251 CB GLU A 16 -9.589 10.479 6.635 1.00 0.00 C ATOM 252 CG GLU A 16 -8.712 11.131 7.706 1.00 0.00 C ATOM 253 CD GLU A 16 -9.078 10.619 9.101 1.00 0.00 C ATOM 254 OE1 GLU A 16 -9.271 9.408 9.286 1.00 0.00 O ATOM 255 OE2 GLU A 16 -9.161 11.529 10.012 1.00 0.00 O ATOM 0 H GLU A 16 -11.290 10.163 4.815 1.00 0.00 H new ATOM 0 HA GLU A 16 -9.999 12.338 5.678 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -10.594 10.324 7.028 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -9.190 9.497 6.382 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -7.663 10.919 7.501 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -8.831 12.214 7.669 1.00 0.00 H new ATOM 263 N GLY A 17 -8.051 12.654 4.141 1.00 0.00 N ATOM 264 CA GLY A 17 -6.782 12.930 3.490 1.00 0.00 C ATOM 265 C GLY A 17 -6.073 11.632 3.097 1.00 0.00 C ATOM 266 O GLY A 17 -4.893 11.451 3.393 1.00 0.00 O ATOM 0 H GLY A 17 -8.728 13.415 4.096 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -6.950 13.540 2.602 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -6.145 13.509 4.159 1.00 0.00 H new ATOM 270 N LYS A 18 -6.824 10.762 2.437 1.00 0.00 N ATOM 271 CA LYS A 18 -6.282 9.487 2.000 1.00 0.00 C ATOM 272 C LYS A 18 -6.830 9.153 0.611 1.00 0.00 C ATOM 273 O LYS A 18 -7.647 8.246 0.464 1.00 0.00 O ATOM 274 CB LYS A 18 -6.556 8.403 3.045 1.00 0.00 C ATOM 275 CG LYS A 18 -5.606 8.539 4.237 1.00 0.00 C ATOM 276 CD LYS A 18 -6.190 7.868 5.482 1.00 0.00 C ATOM 277 CE LYS A 18 -5.474 8.343 6.748 1.00 0.00 C ATOM 278 NZ LYS A 18 -4.134 7.722 6.850 1.00 0.00 N ATOM 0 H LYS A 18 -7.803 10.915 2.195 1.00 0.00 H new ATOM 0 HA LYS A 18 -5.197 9.545 1.910 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -7.588 8.476 3.388 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -6.439 7.418 2.592 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -4.644 8.088 3.994 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -5.421 9.594 4.441 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -7.254 8.093 5.556 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -6.099 6.786 5.393 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -5.378 9.429 6.733 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -6.067 8.088 7.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -3.662 8.055 7.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -4.233 6.687 6.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -3.565 7.987 6.021 1.00 0.00 H new ATOM 292 N ASN A 19 -6.358 9.906 -0.373 1.00 0.00 N ATOM 293 CA ASN A 19 -6.790 9.701 -1.744 1.00 0.00 C ATOM 294 C ASN A 19 -5.821 8.743 -2.442 1.00 0.00 C ATOM 295 O ASN A 19 -5.716 8.747 -3.668 1.00 0.00 O ATOM 296 CB ASN A 19 -6.795 11.019 -2.522 1.00 0.00 C ATOM 297 CG ASN A 19 -7.869 11.007 -3.611 1.00 0.00 C ATOM 298 OD1 ASN A 19 -8.804 10.223 -3.591 1.00 0.00 O ATOM 299 ND2 ASN A 19 -7.685 11.920 -4.563 1.00 0.00 N ATOM 0 H ASN A 19 -5.681 10.658 -0.247 1.00 0.00 H new ATOM 0 HA ASN A 19 -7.800 9.291 -1.722 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -6.974 11.849 -1.838 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -5.816 11.183 -2.973 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -8.348 11.993 -5.335 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -6.881 12.546 -4.520 1.00 0.00 H new ATOM 306 N LEU A 20 -5.139 7.948 -1.632 1.00 0.00 N ATOM 307 CA LEU A 20 -4.183 6.987 -2.157 1.00 0.00 C ATOM 308 C LEU A 20 -4.324 5.667 -1.396 1.00 0.00 C ATOM 309 O LEU A 20 -4.719 5.657 -0.232 1.00 0.00 O ATOM 310 CB LEU A 20 -2.768 7.568 -2.125 1.00 0.00 C ATOM 311 CG LEU A 20 -2.484 8.698 -3.117 1.00 0.00 C ATOM 312 CD1 LEU A 20 -1.021 9.140 -3.040 1.00 0.00 C ATOM 313 CD2 LEU A 20 -2.887 8.295 -4.537 1.00 0.00 C ATOM 0 H LEU A 20 -5.229 7.949 -0.616 1.00 0.00 H new ATOM 0 HA LEU A 20 -4.392 6.775 -3.206 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.571 7.937 -1.118 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.061 6.760 -2.313 1.00 0.00 H new ATOM 0 HG LEU A 20 -3.095 9.557 -2.840 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.846 9.944 -3.755 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.801 9.495 -2.033 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.373 8.296 -3.277 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.675 9.116 -5.222 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.321 7.414 -4.840 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -3.953 8.068 -4.562 1.00 0.00 H new ATOM 325 N CYS A 21 -3.991 4.586 -2.086 1.00 0.00 N ATOM 326 CA CYS A 21 -4.075 3.263 -1.490 1.00 0.00 C ATOM 327 C CYS A 21 -2.719 2.573 -1.659 1.00 0.00 C ATOM 328 O CYS A 21 -1.940 2.936 -2.539 1.00 0.00 O ATOM 329 CB CYS A 21 -5.214 2.441 -2.096 1.00 0.00 C ATOM 330 SG CYS A 21 -6.825 3.067 -1.498 1.00 0.00 S ATOM 0 H CYS A 21 -3.663 4.599 -3.052 1.00 0.00 H new ATOM 0 HA CYS A 21 -4.306 3.353 -0.428 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -5.174 2.496 -3.184 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -5.100 1.391 -1.826 1.00 0.00 H new ATOM 335 N TYR A 22 -2.481 1.592 -0.802 1.00 0.00 N ATOM 336 CA TYR A 22 -1.234 0.848 -0.846 1.00 0.00 C ATOM 337 C TYR A 22 -1.455 -0.618 -0.465 1.00 0.00 C ATOM 338 O TYR A 22 -2.416 -0.943 0.231 1.00 0.00 O ATOM 339 CB TYR A 22 -0.317 1.499 0.192 1.00 0.00 C ATOM 340 CG TYR A 22 -0.694 1.183 1.640 1.00 0.00 C ATOM 341 CD1 TYR A 22 -0.322 -0.022 2.203 1.00 0.00 C ATOM 342 CD2 TYR A 22 -1.405 2.101 2.384 1.00 0.00 C ATOM 343 CE1 TYR A 22 -0.676 -0.320 3.566 1.00 0.00 C ATOM 344 CE2 TYR A 22 -1.760 1.804 3.748 1.00 0.00 C ATOM 345 CZ TYR A 22 -1.378 0.608 4.272 1.00 0.00 C ATOM 346 OH TYR A 22 -1.713 0.327 5.560 1.00 0.00 O ATOM 0 H TYR A 22 -3.130 1.295 -0.073 1.00 0.00 H new ATOM 0 HA TYR A 22 -0.811 0.869 -1.850 1.00 0.00 H new ATOM 0 HB2 TYR A 22 0.707 1.171 0.014 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -0.334 2.580 0.050 1.00 0.00 H new ATOM 0 HD1 TYR A 22 0.235 -0.741 1.620 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -1.696 3.043 1.944 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -0.391 -1.259 4.018 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -2.317 2.514 4.341 1.00 0.00 H new ATOM 0 HH TYR A 22 -2.211 1.080 5.940 1.00 0.00 H new ATOM 356 N LYS A 23 -0.550 -1.462 -0.937 1.00 0.00 N ATOM 357 CA LYS A 23 -0.635 -2.885 -0.654 1.00 0.00 C ATOM 358 C LYS A 23 0.777 -3.452 -0.488 1.00 0.00 C ATOM 359 O LYS A 23 1.587 -3.392 -1.411 1.00 0.00 O ATOM 360 CB LYS A 23 -1.460 -3.596 -1.728 1.00 0.00 C ATOM 361 CG LYS A 23 -0.966 -3.234 -3.130 1.00 0.00 C ATOM 362 CD LYS A 23 -1.870 -2.184 -3.777 1.00 0.00 C ATOM 363 CE LYS A 23 -2.703 -2.798 -4.904 1.00 0.00 C ATOM 364 NZ LYS A 23 -1.896 -2.915 -6.140 1.00 0.00 N ATOM 0 H LYS A 23 0.246 -1.188 -1.513 1.00 0.00 H new ATOM 0 HA LYS A 23 -1.161 -3.056 0.285 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -1.398 -4.675 -1.584 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -2.510 -3.321 -1.626 1.00 0.00 H new ATOM 0 HG2 LYS A 23 0.054 -2.855 -3.073 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -0.939 -4.129 -3.752 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -2.531 -1.754 -3.024 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -1.263 -1.369 -4.171 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -3.063 -3.782 -4.603 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -3.581 -2.181 -5.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -2.476 -3.333 -6.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -1.573 -1.971 -6.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -1.071 -3.523 -5.960 1.00 0.00 H new ATOM 378 N MET A 24 1.027 -3.991 0.696 1.00 0.00 N ATOM 379 CA MET A 24 2.327 -4.569 0.996 1.00 0.00 C ATOM 380 C MET A 24 2.331 -6.076 0.728 1.00 0.00 C ATOM 381 O MET A 24 1.482 -6.803 1.241 1.00 0.00 O ATOM 382 CB MET A 24 2.676 -4.309 2.462 1.00 0.00 C ATOM 383 CG MET A 24 3.341 -2.943 2.634 1.00 0.00 C ATOM 384 SD MET A 24 3.658 -2.630 4.362 1.00 0.00 S ATOM 385 CE MET A 24 1.995 -2.720 5.004 1.00 0.00 C ATOM 0 H MET A 24 0.352 -4.040 1.459 1.00 0.00 H new ATOM 0 HA MET A 24 3.070 -4.102 0.349 1.00 0.00 H new ATOM 0 HB2 MET A 24 1.772 -4.356 3.068 1.00 0.00 H new ATOM 0 HB3 MET A 24 3.344 -5.091 2.825 1.00 0.00 H new ATOM 0 HG2 MET A 24 4.275 -2.911 2.073 1.00 0.00 H new ATOM 0 HG3 MET A 24 2.698 -2.163 2.227 1.00 0.00 H new ATOM 0 HE1 MET A 24 1.869 -1.978 5.793 1.00 0.00 H new ATOM 0 HE2 MET A 24 1.284 -2.522 4.202 1.00 0.00 H new ATOM 0 HE3 MET A 24 1.815 -3.715 5.410 1.00 0.00 H new ATOM 395 N PHE A 25 3.296 -6.500 -0.074 1.00 0.00 N ATOM 396 CA PHE A 25 3.423 -7.906 -0.415 1.00 0.00 C ATOM 397 C PHE A 25 4.697 -8.503 0.185 1.00 0.00 C ATOM 398 O PHE A 25 5.713 -7.820 0.300 1.00 0.00 O ATOM 399 CB PHE A 25 3.503 -7.991 -1.941 1.00 0.00 C ATOM 400 CG PHE A 25 2.280 -7.420 -2.661 1.00 0.00 C ATOM 401 CD1 PHE A 25 1.224 -8.227 -2.951 1.00 0.00 C ATOM 402 CD2 PHE A 25 2.249 -6.107 -3.012 1.00 0.00 C ATOM 403 CE1 PHE A 25 0.089 -7.698 -3.619 1.00 0.00 C ATOM 404 CE2 PHE A 25 1.113 -5.578 -3.682 1.00 0.00 C ATOM 405 CZ PHE A 25 0.057 -6.385 -3.970 1.00 0.00 C ATOM 0 H PHE A 25 3.998 -5.894 -0.498 1.00 0.00 H new ATOM 0 HA PHE A 25 2.573 -8.463 -0.021 1.00 0.00 H new ATOM 0 HB2 PHE A 25 4.392 -7.458 -2.278 1.00 0.00 H new ATOM 0 HB3 PHE A 25 3.628 -9.034 -2.230 1.00 0.00 H new ATOM 0 HD1 PHE A 25 1.249 -9.270 -2.673 1.00 0.00 H new ATOM 0 HD2 PHE A 25 3.087 -5.466 -2.782 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -0.750 -8.339 -3.849 1.00 0.00 H new ATOM 0 HE2 PHE A 25 1.088 -4.535 -3.962 1.00 0.00 H new ATOM 0 HZ PHE A 25 -0.807 -5.983 -4.478 1.00 0.00 H new ATOM 415 N MET A 26 4.602 -9.773 0.552 1.00 0.00 N ATOM 416 CA MET A 26 5.734 -10.470 1.138 1.00 0.00 C ATOM 417 C MET A 26 6.670 -11.004 0.052 1.00 0.00 C ATOM 418 O MET A 26 6.216 -11.581 -0.936 1.00 0.00 O ATOM 419 CB MET A 26 5.229 -11.632 1.995 1.00 0.00 C ATOM 420 CG MET A 26 5.845 -11.588 3.396 1.00 0.00 C ATOM 421 SD MET A 26 5.410 -13.064 4.301 1.00 0.00 S ATOM 422 CE MET A 26 6.559 -12.942 5.661 1.00 0.00 C ATOM 0 H MET A 26 3.758 -10.337 0.455 1.00 0.00 H new ATOM 0 HA MET A 26 6.291 -9.766 1.757 1.00 0.00 H new ATOM 0 HB2 MET A 26 4.142 -11.588 2.070 1.00 0.00 H new ATOM 0 HB3 MET A 26 5.477 -12.578 1.514 1.00 0.00 H new ATOM 0 HG2 MET A 26 6.929 -11.503 3.323 1.00 0.00 H new ATOM 0 HG3 MET A 26 5.491 -10.706 3.930 1.00 0.00 H new ATOM 0 HE1 MET A 26 6.423 -13.792 6.330 1.00 0.00 H new ATOM 0 HE2 MET A 26 7.579 -12.942 5.277 1.00 0.00 H new ATOM 0 HE3 MET A 26 6.378 -12.017 6.209 1.00 0.00 H new ATOM 432 N MET A 27 7.959 -10.795 0.271 1.00 0.00 N ATOM 433 CA MET A 27 8.963 -11.249 -0.677 1.00 0.00 C ATOM 434 C MET A 27 8.781 -10.570 -2.035 1.00 0.00 C ATOM 435 O MET A 27 9.514 -9.642 -2.372 1.00 0.00 O ATOM 436 CB MET A 27 8.858 -12.766 -0.845 1.00 0.00 C ATOM 437 CG MET A 27 9.315 -13.492 0.421 1.00 0.00 C ATOM 438 SD MET A 27 10.640 -14.622 0.032 1.00 0.00 S ATOM 439 CE MET A 27 10.797 -15.467 1.596 1.00 0.00 C ATOM 0 H MET A 27 8.332 -10.317 1.091 1.00 0.00 H new ATOM 0 HA MET A 27 9.947 -10.985 -0.290 1.00 0.00 H new ATOM 0 HB2 MET A 27 7.828 -13.039 -1.073 1.00 0.00 H new ATOM 0 HB3 MET A 27 9.467 -13.085 -1.691 1.00 0.00 H new ATOM 0 HG2 MET A 27 9.650 -12.768 1.164 1.00 0.00 H new ATOM 0 HG3 MET A 27 8.479 -14.036 0.860 1.00 0.00 H new ATOM 0 HE1 MET A 27 11.588 -16.214 1.528 1.00 0.00 H new ATOM 0 HE2 MET A 27 11.044 -14.746 2.376 1.00 0.00 H new ATOM 0 HE3 MET A 27 9.855 -15.957 1.841 1.00 0.00 H new ATOM 449 N SER A 28 7.799 -11.058 -2.778 1.00 0.00 N ATOM 450 CA SER A 28 7.512 -10.510 -4.093 1.00 0.00 C ATOM 451 C SER A 28 6.101 -9.918 -4.116 1.00 0.00 C ATOM 452 O SER A 28 5.313 -10.147 -3.199 1.00 0.00 O ATOM 453 CB SER A 28 7.657 -11.578 -5.179 1.00 0.00 C ATOM 454 OG SER A 28 7.951 -11.008 -6.451 1.00 0.00 O ATOM 0 H SER A 28 7.192 -11.827 -2.495 1.00 0.00 H new ATOM 0 HA SER A 28 8.234 -9.720 -4.300 1.00 0.00 H new ATOM 0 HB2 SER A 28 8.450 -12.273 -4.901 1.00 0.00 H new ATOM 0 HB3 SER A 28 6.735 -12.156 -5.245 1.00 0.00 H new ATOM 0 HG SER A 28 8.038 -11.722 -7.117 1.00 0.00 H new ATOM 460 N ASP A 29 5.826 -9.169 -5.173 1.00 0.00 N ATOM 461 CA ASP A 29 4.523 -8.542 -5.327 1.00 0.00 C ATOM 462 C ASP A 29 3.634 -9.433 -6.196 1.00 0.00 C ATOM 463 O ASP A 29 2.422 -9.497 -5.988 1.00 0.00 O ATOM 464 CB ASP A 29 4.645 -7.181 -6.015 1.00 0.00 C ATOM 465 CG ASP A 29 5.885 -7.010 -6.896 1.00 0.00 C ATOM 466 OD1 ASP A 29 7.011 -6.881 -6.395 1.00 0.00 O ATOM 467 OD2 ASP A 29 5.656 -7.013 -8.166 1.00 0.00 O ATOM 0 H ASP A 29 6.482 -8.982 -5.931 1.00 0.00 H new ATOM 0 HA ASP A 29 4.094 -8.407 -4.334 1.00 0.00 H new ATOM 0 HB2 ASP A 29 3.758 -7.019 -6.627 1.00 0.00 H new ATOM 0 HB3 ASP A 29 4.651 -6.404 -5.251 1.00 0.00 H new ATOM 473 N LEU A 30 4.267 -10.099 -7.149 1.00 0.00 N ATOM 474 CA LEU A 30 3.548 -10.984 -8.050 1.00 0.00 C ATOM 475 C LEU A 30 2.573 -11.843 -7.243 1.00 0.00 C ATOM 476 O LEU A 30 1.463 -12.117 -7.693 1.00 0.00 O ATOM 477 CB LEU A 30 4.528 -11.798 -8.898 1.00 0.00 C ATOM 478 CG LEU A 30 5.292 -11.019 -9.972 1.00 0.00 C ATOM 479 CD1 LEU A 30 6.538 -11.785 -10.421 1.00 0.00 C ATOM 480 CD2 LEU A 30 4.378 -10.670 -11.148 1.00 0.00 C ATOM 0 H LEU A 30 5.271 -10.044 -7.318 1.00 0.00 H new ATOM 0 HA LEU A 30 2.954 -10.406 -8.758 1.00 0.00 H new ATOM 0 HB2 LEU A 30 5.253 -12.266 -8.232 1.00 0.00 H new ATOM 0 HB3 LEU A 30 3.976 -12.603 -9.384 1.00 0.00 H new ATOM 0 HG LEU A 30 5.632 -10.079 -9.538 1.00 0.00 H new ATOM 0 HD11 LEU A 30 7.063 -11.210 -11.184 1.00 0.00 H new ATOM 0 HD12 LEU A 30 7.197 -11.941 -9.567 1.00 0.00 H new ATOM 0 HD13 LEU A 30 6.243 -12.750 -10.832 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.944 -10.117 -11.897 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.989 -11.587 -11.591 1.00 0.00 H new ATOM 0 HD23 LEU A 30 3.549 -10.057 -10.795 1.00 0.00 H new ATOM 492 N THR A 31 3.025 -12.245 -6.063 1.00 0.00 N ATOM 493 CA THR A 31 2.206 -13.067 -5.189 1.00 0.00 C ATOM 494 C THR A 31 1.161 -12.209 -4.473 1.00 0.00 C ATOM 495 O THR A 31 1.164 -10.985 -4.602 1.00 0.00 O ATOM 496 CB THR A 31 3.138 -13.815 -4.233 1.00 0.00 C ATOM 497 OG1 THR A 31 3.787 -12.778 -3.500 1.00 0.00 O ATOM 498 CG2 THR A 31 4.280 -14.524 -4.963 1.00 0.00 C ATOM 0 H THR A 31 3.948 -12.016 -5.693 1.00 0.00 H new ATOM 0 HA THR A 31 1.639 -13.805 -5.757 1.00 0.00 H new ATOM 0 HB THR A 31 2.563 -14.545 -3.663 1.00 0.00 H new ATOM 0 HG1 THR A 31 4.246 -13.163 -2.725 1.00 0.00 H new ATOM 0 HG21 THR A 31 4.911 -15.039 -4.238 1.00 0.00 H new ATOM 0 HG22 THR A 31 3.868 -15.249 -5.665 1.00 0.00 H new ATOM 0 HG23 THR A 31 4.876 -13.790 -5.506 1.00 0.00 H new ATOM 506 N ILE A 32 0.294 -12.883 -3.733 1.00 0.00 N ATOM 507 CA ILE A 32 -0.754 -12.198 -2.996 1.00 0.00 C ATOM 508 C ILE A 32 -0.119 -11.299 -1.934 1.00 0.00 C ATOM 509 O ILE A 32 0.945 -11.614 -1.404 1.00 0.00 O ATOM 510 CB ILE A 32 -1.758 -13.204 -2.430 1.00 0.00 C ATOM 511 CG1 ILE A 32 -3.054 -13.201 -3.242 1.00 0.00 C ATOM 512 CG2 ILE A 32 -2.011 -12.949 -0.942 1.00 0.00 C ATOM 513 CD1 ILE A 32 -3.078 -14.359 -4.242 1.00 0.00 C ATOM 0 H ILE A 32 0.296 -13.898 -3.628 1.00 0.00 H new ATOM 0 HA ILE A 32 -1.327 -11.552 -3.661 1.00 0.00 H new ATOM 0 HB ILE A 32 -1.328 -14.202 -2.516 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -3.909 -13.279 -2.570 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -3.152 -12.255 -3.774 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -2.728 -13.678 -0.565 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -1.075 -13.043 -0.392 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -2.411 -11.944 -0.808 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -4.010 -14.333 -4.806 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -2.236 -14.265 -4.928 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -3.005 -15.305 -3.705 1.00 0.00 H new ATOM 525 N PRO A 33 -0.817 -10.167 -1.646 1.00 0.00 N ATOM 526 CA PRO A 33 -0.333 -9.220 -0.657 1.00 0.00 C ATOM 527 C PRO A 33 -0.546 -9.752 0.762 1.00 0.00 C ATOM 528 O PRO A 33 -1.213 -10.767 0.954 1.00 0.00 O ATOM 529 CB PRO A 33 -1.102 -7.938 -0.931 1.00 0.00 C ATOM 530 CG PRO A 33 -2.313 -8.346 -1.754 1.00 0.00 C ATOM 531 CD PRO A 33 -2.081 -9.762 -2.254 1.00 0.00 C ATOM 0 HA PRO A 33 0.741 -9.049 -0.729 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -1.406 -7.458 -0.001 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -0.485 -7.221 -1.473 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -3.219 -8.298 -1.150 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -2.453 -7.663 -2.592 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -2.894 -10.425 -1.957 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -2.025 -9.794 -3.342 1.00 0.00 H new ATOM 539 N VAL A 34 0.035 -9.043 1.719 1.00 0.00 N ATOM 540 CA VAL A 34 -0.083 -9.432 3.114 1.00 0.00 C ATOM 541 C VAL A 34 -0.943 -8.405 3.854 1.00 0.00 C ATOM 542 O VAL A 34 -1.690 -8.757 4.765 1.00 0.00 O ATOM 543 CB VAL A 34 1.308 -9.600 3.729 1.00 0.00 C ATOM 544 CG1 VAL A 34 2.201 -10.466 2.837 1.00 0.00 C ATOM 545 CG2 VAL A 34 1.957 -8.242 4.000 1.00 0.00 C ATOM 0 H VAL A 34 0.588 -8.202 1.556 1.00 0.00 H new ATOM 0 HA VAL A 34 -0.582 -10.397 3.201 1.00 0.00 H new ATOM 0 HB VAL A 34 1.191 -10.111 4.685 1.00 0.00 H new ATOM 0 HG11 VAL A 34 3.184 -10.570 3.297 1.00 0.00 H new ATOM 0 HG12 VAL A 34 1.750 -11.451 2.718 1.00 0.00 H new ATOM 0 HG13 VAL A 34 2.306 -9.995 1.860 1.00 0.00 H new ATOM 0 HG21 VAL A 34 2.944 -8.391 4.437 1.00 0.00 H new ATOM 0 HG22 VAL A 34 2.054 -7.692 3.064 1.00 0.00 H new ATOM 0 HG23 VAL A 34 1.336 -7.674 4.692 1.00 0.00 H new ATOM 555 N LYS A 35 -0.809 -7.155 3.434 1.00 0.00 N ATOM 556 CA LYS A 35 -1.565 -6.076 4.046 1.00 0.00 C ATOM 557 C LYS A 35 -1.771 -4.959 3.021 1.00 0.00 C ATOM 558 O LYS A 35 -0.994 -4.828 2.076 1.00 0.00 O ATOM 559 CB LYS A 35 -0.885 -5.609 5.335 1.00 0.00 C ATOM 560 CG LYS A 35 -1.675 -4.476 5.994 1.00 0.00 C ATOM 561 CD LYS A 35 -3.005 -4.988 6.552 1.00 0.00 C ATOM 562 CE LYS A 35 -3.628 -3.967 7.506 1.00 0.00 C ATOM 563 NZ LYS A 35 -3.774 -4.544 8.860 1.00 0.00 N ATOM 0 H LYS A 35 -0.188 -6.866 2.678 1.00 0.00 H new ATOM 0 HA LYS A 35 -2.554 -6.425 4.343 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -0.797 -6.446 6.028 1.00 0.00 H new ATOM 0 HB3 LYS A 35 0.127 -5.270 5.114 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -1.085 -4.036 6.798 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -1.862 -3.686 5.266 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -3.693 -5.192 5.732 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -2.845 -5.930 7.076 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -3.004 -3.074 7.550 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -4.603 -3.657 7.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -4.198 -3.838 9.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -4.388 -5.383 8.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -2.839 -4.818 9.223 1.00 0.00 H new ATOM 577 N ARG A 36 -2.821 -4.182 3.242 1.00 0.00 N ATOM 578 CA ARG A 36 -3.139 -3.080 2.350 1.00 0.00 C ATOM 579 C ARG A 36 -4.170 -2.154 2.997 1.00 0.00 C ATOM 580 O ARG A 36 -5.093 -2.617 3.666 1.00 0.00 O ATOM 581 CB ARG A 36 -3.688 -3.592 1.017 1.00 0.00 C ATOM 582 CG ARG A 36 -4.976 -4.392 1.225 1.00 0.00 C ATOM 583 CD ARG A 36 -4.877 -5.771 0.572 1.00 0.00 C ATOM 584 NE ARG A 36 -4.503 -5.630 -0.853 1.00 0.00 N ATOM 585 CZ ARG A 36 -4.809 -6.534 -1.808 1.00 0.00 C ATOM 586 NH1 ARG A 36 -4.423 -6.307 -3.050 1.00 0.00 N ATOM 587 NH2 ARG A 36 -5.498 -7.652 -1.498 1.00 0.00 N ATOM 0 H ARG A 36 -3.463 -4.294 4.027 1.00 0.00 H new ATOM 0 HA ARG A 36 -2.218 -2.528 2.163 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -3.882 -2.750 0.352 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -2.941 -4.218 0.529 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -5.170 -4.504 2.292 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -5.820 -3.846 0.803 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -4.136 -6.377 1.093 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -5.831 -6.292 0.656 1.00 0.00 H new ATOM 0 HE ARG A 36 -3.982 -4.798 -1.131 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -3.902 -5.459 -3.275 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -4.646 -6.979 -3.784 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -5.792 -7.820 -0.536 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -5.725 -8.330 -2.226 1.00 0.00 H new ATOM 601 N GLY A 37 -3.980 -0.862 2.774 1.00 0.00 N ATOM 602 CA GLY A 37 -4.881 0.134 3.327 1.00 0.00 C ATOM 603 C GLY A 37 -4.815 1.438 2.529 1.00 0.00 C ATOM 604 O GLY A 37 -4.242 1.475 1.442 1.00 0.00 O ATOM 0 H GLY A 37 -3.214 -0.482 2.217 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -5.901 -0.250 3.320 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -4.621 0.327 4.368 1.00 0.00 H new ATOM 608 N CYS A 38 -5.410 2.475 3.100 1.00 0.00 N ATOM 609 CA CYS A 38 -5.425 3.777 2.456 1.00 0.00 C ATOM 610 C CYS A 38 -4.255 4.597 3.001 1.00 0.00 C ATOM 611 O CYS A 38 -3.701 4.273 4.051 1.00 0.00 O ATOM 612 CB CYS A 38 -6.764 4.491 2.654 1.00 0.00 C ATOM 613 SG CYS A 38 -8.140 3.292 2.517 1.00 0.00 S ATOM 0 H CYS A 38 -5.885 2.440 4.002 1.00 0.00 H new ATOM 0 HA CYS A 38 -5.310 3.654 1.379 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -6.787 4.973 3.631 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -6.880 5.277 1.908 1.00 0.00 H new ATOM 618 N ILE A 39 -3.912 5.643 2.263 1.00 0.00 N ATOM 619 CA ILE A 39 -2.816 6.511 2.660 1.00 0.00 C ATOM 620 C ILE A 39 -2.878 7.806 1.847 1.00 0.00 C ATOM 621 O ILE A 39 -3.725 7.951 0.966 1.00 0.00 O ATOM 622 CB ILE A 39 -1.480 5.775 2.543 1.00 0.00 C ATOM 623 CG1 ILE A 39 -0.400 6.464 3.380 1.00 0.00 C ATOM 624 CG2 ILE A 39 -1.062 5.627 1.079 1.00 0.00 C ATOM 625 CD1 ILE A 39 0.584 5.442 3.953 1.00 0.00 C ATOM 0 H ILE A 39 -4.373 5.909 1.393 1.00 0.00 H new ATOM 0 HA ILE A 39 -2.910 6.788 3.710 1.00 0.00 H new ATOM 0 HB ILE A 39 -1.607 4.770 2.945 1.00 0.00 H new ATOM 0 HG12 ILE A 39 0.137 7.186 2.765 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -0.865 7.022 4.193 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -0.109 5.100 1.024 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -1.821 5.061 0.539 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -0.957 6.614 0.629 1.00 0.00 H new ATOM 0 HD11 ILE A 39 1.341 5.958 4.544 1.00 0.00 H new ATOM 0 HD12 ILE A 39 0.047 4.736 4.587 1.00 0.00 H new ATOM 0 HD13 ILE A 39 1.065 4.903 3.137 1.00 0.00 H new ATOM 637 N ASP A 40 -1.970 8.714 2.171 1.00 0.00 N ATOM 638 CA ASP A 40 -1.911 9.992 1.482 1.00 0.00 C ATOM 639 C ASP A 40 -0.653 10.040 0.612 1.00 0.00 C ATOM 640 O ASP A 40 -0.715 10.429 -0.554 1.00 0.00 O ATOM 641 CB ASP A 40 -1.841 11.153 2.477 1.00 0.00 C ATOM 642 CG ASP A 40 -1.698 12.539 1.846 1.00 0.00 C ATOM 643 OD1 ASP A 40 -2.158 12.778 0.720 1.00 0.00 O ATOM 644 OD2 ASP A 40 -1.076 13.406 2.571 1.00 0.00 O ATOM 0 H ASP A 40 -1.269 8.590 2.902 1.00 0.00 H new ATOM 0 HA ASP A 40 -2.812 10.090 0.877 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -2.742 11.141 3.090 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -0.997 10.987 3.147 1.00 0.00 H new ATOM 650 N VAL A 41 0.459 9.640 1.212 1.00 0.00 N ATOM 651 CA VAL A 41 1.728 9.632 0.507 1.00 0.00 C ATOM 652 C VAL A 41 2.301 8.213 0.511 1.00 0.00 C ATOM 653 O VAL A 41 2.262 7.527 1.532 1.00 0.00 O ATOM 654 CB VAL A 41 2.676 10.661 1.124 1.00 0.00 C ATOM 655 CG1 VAL A 41 4.071 10.567 0.500 1.00 0.00 C ATOM 656 CG2 VAL A 41 2.111 12.077 0.991 1.00 0.00 C ATOM 0 H VAL A 41 0.506 9.319 2.179 1.00 0.00 H new ATOM 0 HA VAL A 41 1.588 9.922 -0.534 1.00 0.00 H new ATOM 0 HB VAL A 41 2.768 10.435 2.186 1.00 0.00 H new ATOM 0 HG11 VAL A 41 4.725 11.310 0.957 1.00 0.00 H new ATOM 0 HG12 VAL A 41 4.479 9.571 0.670 1.00 0.00 H new ATOM 0 HG13 VAL A 41 4.003 10.754 -0.572 1.00 0.00 H new ATOM 0 HG21 VAL A 41 2.805 12.789 1.438 1.00 0.00 H new ATOM 0 HG22 VAL A 41 1.974 12.317 -0.064 1.00 0.00 H new ATOM 0 HG23 VAL A 41 1.151 12.135 1.504 1.00 0.00 H new ATOM 666 N CYS A 42 2.819 7.815 -0.641 1.00 0.00 N ATOM 667 CA CYS A 42 3.400 6.490 -0.782 1.00 0.00 C ATOM 668 C CYS A 42 4.652 6.417 0.094 1.00 0.00 C ATOM 669 O CYS A 42 5.578 7.209 -0.075 1.00 0.00 O ATOM 670 CB CYS A 42 3.705 6.159 -2.244 1.00 0.00 C ATOM 671 SG CYS A 42 4.033 4.367 -2.426 1.00 0.00 S ATOM 0 H CYS A 42 2.849 8.386 -1.486 1.00 0.00 H new ATOM 0 HA CYS A 42 2.683 5.739 -0.450 1.00 0.00 H new ATOM 0 HB2 CYS A 42 2.864 6.449 -2.874 1.00 0.00 H new ATOM 0 HB3 CYS A 42 4.569 6.731 -2.582 1.00 0.00 H new ATOM 676 N PRO A 43 4.640 5.436 1.035 1.00 0.00 N ATOM 677 CA PRO A 43 5.763 5.250 1.938 1.00 0.00 C ATOM 678 C PRO A 43 6.942 4.593 1.217 1.00 0.00 C ATOM 679 O PRO A 43 6.807 4.139 0.083 1.00 0.00 O ATOM 680 CB PRO A 43 5.217 4.404 3.076 1.00 0.00 C ATOM 681 CG PRO A 43 3.947 3.761 2.546 1.00 0.00 C ATOM 682 CD PRO A 43 3.560 4.480 1.263 1.00 0.00 C ATOM 0 HA PRO A 43 6.160 6.192 2.315 1.00 0.00 H new ATOM 0 HB2 PRO A 43 5.940 3.647 3.381 1.00 0.00 H new ATOM 0 HB3 PRO A 43 5.008 5.017 3.953 1.00 0.00 H new ATOM 0 HG2 PRO A 43 4.107 2.700 2.355 1.00 0.00 H new ATOM 0 HG3 PRO A 43 3.146 3.835 3.282 1.00 0.00 H new ATOM 0 HD2 PRO A 43 3.466 3.782 0.431 1.00 0.00 H new ATOM 0 HD3 PRO A 43 2.599 4.985 1.366 1.00 0.00 H new ATOM 690 N LYS A 44 8.074 4.563 1.906 1.00 0.00 N ATOM 691 CA LYS A 44 9.276 3.970 1.347 1.00 0.00 C ATOM 692 C LYS A 44 9.090 2.455 1.242 1.00 0.00 C ATOM 693 O LYS A 44 8.675 1.809 2.204 1.00 0.00 O ATOM 694 CB LYS A 44 10.506 4.384 2.158 1.00 0.00 C ATOM 695 CG LYS A 44 10.718 5.898 2.097 1.00 0.00 C ATOM 696 CD LYS A 44 10.385 6.552 3.441 1.00 0.00 C ATOM 697 CE LYS A 44 11.387 6.132 4.517 1.00 0.00 C ATOM 698 NZ LYS A 44 12.376 7.208 4.753 1.00 0.00 N ATOM 0 H LYS A 44 8.183 4.940 2.847 1.00 0.00 H new ATOM 0 HA LYS A 44 9.450 4.342 0.337 1.00 0.00 H new ATOM 0 HB2 LYS A 44 10.384 4.072 3.195 1.00 0.00 H new ATOM 0 HB3 LYS A 44 11.389 3.874 1.773 1.00 0.00 H new ATOM 0 HG2 LYS A 44 11.752 6.114 1.830 1.00 0.00 H new ATOM 0 HG3 LYS A 44 10.091 6.326 1.315 1.00 0.00 H new ATOM 0 HD2 LYS A 44 10.394 7.637 3.334 1.00 0.00 H new ATOM 0 HD3 LYS A 44 9.378 6.270 3.747 1.00 0.00 H new ATOM 0 HE2 LYS A 44 10.860 5.904 5.444 1.00 0.00 H new ATOM 0 HE3 LYS A 44 11.899 5.220 4.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 13.049 6.906 5.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 12.891 7.406 3.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 11.884 8.069 5.067 1.00 0.00 H new ATOM 712 N ASN A 45 9.406 1.932 0.067 1.00 0.00 N ATOM 713 CA ASN A 45 9.279 0.504 -0.176 1.00 0.00 C ATOM 714 C ASN A 45 10.432 -0.229 0.512 1.00 0.00 C ATOM 715 O ASN A 45 11.570 0.236 0.491 1.00 0.00 O ATOM 716 CB ASN A 45 9.346 0.193 -1.672 1.00 0.00 C ATOM 717 CG ASN A 45 9.361 -1.318 -1.917 1.00 0.00 C ATOM 718 OD1 ASN A 45 9.069 -2.118 -1.043 1.00 0.00 O ATOM 719 ND2 ASN A 45 9.716 -1.662 -3.151 1.00 0.00 N ATOM 0 H ASN A 45 9.750 2.471 -0.728 1.00 0.00 H new ATOM 0 HA ASN A 45 8.316 0.178 0.217 1.00 0.00 H new ATOM 0 HB2 ASN A 45 8.490 0.639 -2.179 1.00 0.00 H new ATOM 0 HB3 ASN A 45 10.241 0.644 -2.101 1.00 0.00 H new ATOM 0 HD21 ASN A 45 9.756 -2.647 -3.414 1.00 0.00 H new ATOM 0 HD22 ASN A 45 9.948 -0.941 -3.835 1.00 0.00 H new ATOM 726 N SER A 46 10.097 -1.365 1.106 1.00 0.00 N ATOM 727 CA SER A 46 11.089 -2.169 1.799 1.00 0.00 C ATOM 728 C SER A 46 11.635 -3.249 0.864 1.00 0.00 C ATOM 729 O SER A 46 11.112 -3.448 -0.231 1.00 0.00 O ATOM 730 CB SER A 46 10.499 -2.806 3.059 1.00 0.00 C ATOM 731 OG SER A 46 9.590 -3.859 2.749 1.00 0.00 O ATOM 0 H SER A 46 9.152 -1.748 1.122 1.00 0.00 H new ATOM 0 HA SER A 46 11.906 -1.515 2.103 1.00 0.00 H new ATOM 0 HB2 SER A 46 11.306 -3.195 3.681 1.00 0.00 H new ATOM 0 HB3 SER A 46 9.985 -2.044 3.644 1.00 0.00 H new ATOM 0 HG SER A 46 9.197 -3.703 1.865 1.00 0.00 H new ATOM 737 N LEU A 47 12.680 -3.917 1.329 1.00 0.00 N ATOM 738 CA LEU A 47 13.302 -4.972 0.547 1.00 0.00 C ATOM 739 C LEU A 47 12.616 -6.304 0.857 1.00 0.00 C ATOM 740 O LEU A 47 12.562 -7.192 0.007 1.00 0.00 O ATOM 741 CB LEU A 47 14.814 -4.990 0.780 1.00 0.00 C ATOM 742 CG LEU A 47 15.478 -6.369 0.770 1.00 0.00 C ATOM 743 CD1 LEU A 47 15.578 -6.919 -0.655 1.00 0.00 C ATOM 744 CD2 LEU A 47 16.840 -6.327 1.465 1.00 0.00 C ATOM 0 H LEU A 47 13.112 -3.748 2.238 1.00 0.00 H new ATOM 0 HA LEU A 47 13.169 -4.786 -0.519 1.00 0.00 H new ATOM 0 HB2 LEU A 47 15.287 -4.375 0.014 1.00 0.00 H new ATOM 0 HB3 LEU A 47 15.019 -4.517 1.740 1.00 0.00 H new ATOM 0 HG LEU A 47 14.849 -7.055 1.337 1.00 0.00 H new ATOM 0 HD11 LEU A 47 16.053 -7.900 -0.634 1.00 0.00 H new ATOM 0 HD12 LEU A 47 14.579 -7.009 -1.081 1.00 0.00 H new ATOM 0 HD13 LEU A 47 16.173 -6.240 -1.266 1.00 0.00 H new ATOM 0 HD21 LEU A 47 17.290 -7.320 1.444 1.00 0.00 H new ATOM 0 HD22 LEU A 47 17.491 -5.622 0.948 1.00 0.00 H new ATOM 0 HD23 LEU A 47 16.711 -6.009 2.500 1.00 0.00 H new ATOM 756 N LEU A 48 12.109 -6.401 2.077 1.00 0.00 N ATOM 757 CA LEU A 48 11.429 -7.610 2.510 1.00 0.00 C ATOM 758 C LEU A 48 10.016 -7.633 1.922 1.00 0.00 C ATOM 759 O LEU A 48 9.637 -8.588 1.245 1.00 0.00 O ATOM 760 CB LEU A 48 11.462 -7.727 4.035 1.00 0.00 C ATOM 761 CG LEU A 48 12.685 -8.428 4.627 1.00 0.00 C ATOM 762 CD1 LEU A 48 12.614 -9.940 4.402 1.00 0.00 C ATOM 763 CD2 LEU A 48 13.981 -7.828 4.079 1.00 0.00 C ATOM 0 H LEU A 48 12.155 -5.663 2.779 1.00 0.00 H new ATOM 0 HA LEU A 48 11.946 -8.493 2.135 1.00 0.00 H new ATOM 0 HB2 LEU A 48 11.403 -6.724 4.458 1.00 0.00 H new ATOM 0 HB3 LEU A 48 10.569 -8.262 4.358 1.00 0.00 H new ATOM 0 HG LEU A 48 12.684 -8.262 5.704 1.00 0.00 H new ATOM 0 HD11 LEU A 48 13.496 -10.414 4.833 1.00 0.00 H new ATOM 0 HD12 LEU A 48 11.719 -10.337 4.880 1.00 0.00 H new ATOM 0 HD13 LEU A 48 12.577 -10.147 3.333 1.00 0.00 H new ATOM 0 HD21 LEU A 48 14.835 -8.345 4.517 1.00 0.00 H new ATOM 0 HD22 LEU A 48 14.005 -7.941 2.995 1.00 0.00 H new ATOM 0 HD23 LEU A 48 14.028 -6.769 4.334 1.00 0.00 H new ATOM 775 N VAL A 49 9.275 -6.571 2.202 1.00 0.00 N ATOM 776 CA VAL A 49 7.913 -6.458 1.710 1.00 0.00 C ATOM 777 C VAL A 49 7.871 -5.441 0.568 1.00 0.00 C ATOM 778 O VAL A 49 8.482 -4.377 0.657 1.00 0.00 O ATOM 779 CB VAL A 49 6.969 -6.104 2.861 1.00 0.00 C ATOM 780 CG1 VAL A 49 5.539 -6.556 2.555 1.00 0.00 C ATOM 781 CG2 VAL A 49 7.463 -6.703 4.180 1.00 0.00 C ATOM 0 H VAL A 49 9.592 -5.781 2.764 1.00 0.00 H new ATOM 0 HA VAL A 49 7.571 -7.412 1.308 1.00 0.00 H new ATOM 0 HB VAL A 49 6.963 -5.019 2.968 1.00 0.00 H new ATOM 0 HG11 VAL A 49 4.888 -6.293 3.389 1.00 0.00 H new ATOM 0 HG12 VAL A 49 5.187 -6.062 1.650 1.00 0.00 H new ATOM 0 HG13 VAL A 49 5.522 -7.636 2.409 1.00 0.00 H new ATOM 0 HG21 VAL A 49 6.774 -6.436 4.981 1.00 0.00 H new ATOM 0 HG22 VAL A 49 7.513 -7.788 4.091 1.00 0.00 H new ATOM 0 HG23 VAL A 49 8.454 -6.312 4.409 1.00 0.00 H new ATOM 791 N LYS A 50 7.144 -5.803 -0.478 1.00 0.00 N ATOM 792 CA LYS A 50 7.014 -4.935 -1.636 1.00 0.00 C ATOM 793 C LYS A 50 5.889 -3.928 -1.390 1.00 0.00 C ATOM 794 O LYS A 50 4.801 -4.301 -0.955 1.00 0.00 O ATOM 795 CB LYS A 50 6.830 -5.764 -2.909 1.00 0.00 C ATOM 796 CG LYS A 50 8.169 -6.320 -3.400 1.00 0.00 C ATOM 797 CD LYS A 50 8.890 -5.304 -4.290 1.00 0.00 C ATOM 798 CE LYS A 50 10.348 -5.711 -4.515 1.00 0.00 C ATOM 799 NZ LYS A 50 11.231 -5.035 -3.539 1.00 0.00 N ATOM 0 H LYS A 50 6.638 -6.686 -0.548 1.00 0.00 H new ATOM 0 HA LYS A 50 7.928 -4.361 -1.786 1.00 0.00 H new ATOM 0 HB2 LYS A 50 6.140 -6.585 -2.716 1.00 0.00 H new ATOM 0 HB3 LYS A 50 6.381 -5.147 -3.687 1.00 0.00 H new ATOM 0 HG2 LYS A 50 8.798 -6.572 -2.546 1.00 0.00 H new ATOM 0 HG3 LYS A 50 8.002 -7.243 -3.956 1.00 0.00 H new ATOM 0 HD2 LYS A 50 8.378 -5.227 -5.249 1.00 0.00 H new ATOM 0 HD3 LYS A 50 8.851 -4.318 -3.828 1.00 0.00 H new ATOM 0 HE2 LYS A 50 10.449 -6.792 -4.418 1.00 0.00 H new ATOM 0 HE3 LYS A 50 10.652 -5.452 -5.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 12.210 -5.361 -3.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 11.186 -4.006 -3.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 10.919 -5.262 -2.573 1.00 0.00 H new ATOM 813 N TYR A 51 6.190 -2.671 -1.680 1.00 0.00 N ATOM 814 CA TYR A 51 5.217 -1.607 -1.495 1.00 0.00 C ATOM 815 C TYR A 51 4.646 -1.148 -2.839 1.00 0.00 C ATOM 816 O TYR A 51 5.381 -0.656 -3.694 1.00 0.00 O ATOM 817 CB TYR A 51 5.979 -0.445 -0.855 1.00 0.00 C ATOM 818 CG TYR A 51 6.078 -0.531 0.670 1.00 0.00 C ATOM 819 CD1 TYR A 51 6.129 0.623 1.424 1.00 0.00 C ATOM 820 CD2 TYR A 51 6.116 -1.763 1.290 1.00 0.00 C ATOM 821 CE1 TYR A 51 6.223 0.542 2.859 1.00 0.00 C ATOM 822 CE2 TYR A 51 6.210 -1.845 2.725 1.00 0.00 C ATOM 823 CZ TYR A 51 6.258 -0.687 3.438 1.00 0.00 C ATOM 824 OH TYR A 51 6.346 -0.764 4.793 1.00 0.00 O ATOM 0 H TYR A 51 7.093 -2.365 -2.042 1.00 0.00 H new ATOM 0 HA TYR A 51 4.385 -1.950 -0.880 1.00 0.00 H new ATOM 0 HB2 TYR A 51 6.985 -0.410 -1.273 1.00 0.00 H new ATOM 0 HB3 TYR A 51 5.489 0.490 -1.125 1.00 0.00 H new ATOM 0 HD1 TYR A 51 6.098 1.587 0.938 1.00 0.00 H new ATOM 0 HD2 TYR A 51 6.075 -2.666 0.699 1.00 0.00 H new ATOM 0 HE1 TYR A 51 6.265 1.438 3.461 1.00 0.00 H new ATOM 0 HE2 TYR A 51 6.242 -2.803 3.223 1.00 0.00 H new ATOM 0 HH TYR A 51 5.624 -1.331 5.136 1.00 0.00 H new ATOM 834 N VAL A 52 3.341 -1.325 -2.981 1.00 0.00 N ATOM 835 CA VAL A 52 2.662 -0.934 -4.205 1.00 0.00 C ATOM 836 C VAL A 52 1.525 0.032 -3.868 1.00 0.00 C ATOM 837 O VAL A 52 0.545 -0.355 -3.233 1.00 0.00 O ATOM 838 CB VAL A 52 2.186 -2.177 -4.959 1.00 0.00 C ATOM 839 CG1 VAL A 52 2.071 -1.899 -6.459 1.00 0.00 C ATOM 840 CG2 VAL A 52 3.110 -3.368 -4.691 1.00 0.00 C ATOM 0 H VAL A 52 2.736 -1.734 -2.269 1.00 0.00 H new ATOM 0 HA VAL A 52 3.348 -0.409 -4.870 1.00 0.00 H new ATOM 0 HB VAL A 52 1.193 -2.433 -4.589 1.00 0.00 H new ATOM 0 HG11 VAL A 52 1.731 -2.799 -6.971 1.00 0.00 H new ATOM 0 HG12 VAL A 52 1.355 -1.094 -6.626 1.00 0.00 H new ATOM 0 HG13 VAL A 52 3.045 -1.605 -6.850 1.00 0.00 H new ATOM 0 HG21 VAL A 52 2.749 -4.239 -5.239 1.00 0.00 H new ATOM 0 HG22 VAL A 52 4.121 -3.126 -5.020 1.00 0.00 H new ATOM 0 HG23 VAL A 52 3.119 -3.589 -3.624 1.00 0.00 H new ATOM 850 N CYS A 53 1.693 1.270 -4.307 1.00 0.00 N ATOM 851 CA CYS A 53 0.693 2.295 -4.060 1.00 0.00 C ATOM 852 C CYS A 53 -0.211 2.392 -5.290 1.00 0.00 C ATOM 853 O CYS A 53 0.170 1.963 -6.379 1.00 0.00 O ATOM 854 CB CYS A 53 1.335 3.641 -3.715 1.00 0.00 C ATOM 855 SG CYS A 53 2.210 3.525 -2.113 1.00 0.00 S ATOM 0 H CYS A 53 2.507 1.587 -4.833 1.00 0.00 H new ATOM 0 HA CYS A 53 0.094 2.020 -3.192 1.00 0.00 H new ATOM 0 HB2 CYS A 53 2.033 3.932 -4.500 1.00 0.00 H new ATOM 0 HB3 CYS A 53 0.570 4.416 -3.666 1.00 0.00 H new ATOM 860 N CYS A 54 -1.390 2.956 -5.076 1.00 0.00 N ATOM 861 CA CYS A 54 -2.351 3.114 -6.154 1.00 0.00 C ATOM 862 C CYS A 54 -3.272 4.286 -5.809 1.00 0.00 C ATOM 863 O CYS A 54 -3.253 4.785 -4.685 1.00 0.00 O ATOM 864 CB CYS A 54 -3.137 1.826 -6.405 1.00 0.00 C ATOM 865 SG CYS A 54 -3.697 1.115 -4.815 1.00 0.00 S ATOM 0 H CYS A 54 -1.702 3.309 -4.171 1.00 0.00 H new ATOM 0 HA CYS A 54 -1.825 3.328 -7.084 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -3.996 2.033 -7.043 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -2.513 1.107 -6.935 1.00 0.00 H new ATOM 870 N ASN A 55 -4.056 4.693 -6.796 1.00 0.00 N ATOM 871 CA ASN A 55 -4.982 5.797 -6.612 1.00 0.00 C ATOM 872 C ASN A 55 -6.227 5.562 -7.469 1.00 0.00 C ATOM 873 O ASN A 55 -6.785 6.504 -8.031 1.00 0.00 O ATOM 874 CB ASN A 55 -4.352 7.123 -7.045 1.00 0.00 C ATOM 875 CG ASN A 55 -4.282 7.224 -8.570 1.00 0.00 C ATOM 876 OD1 ASN A 55 -3.837 6.320 -9.259 1.00 0.00 O ATOM 877 ND2 ASN A 55 -4.745 8.371 -9.058 1.00 0.00 N ATOM 0 H ASN A 55 -4.069 4.277 -7.727 1.00 0.00 H new ATOM 0 HA ASN A 55 -5.239 5.849 -5.554 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -4.936 7.954 -6.648 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -3.350 7.208 -6.625 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -4.741 8.535 -10.065 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -5.104 9.086 -8.426 1.00 0.00 H new ATOM 884 N THR A 56 -6.626 4.300 -7.544 1.00 0.00 N ATOM 885 CA THR A 56 -7.795 3.931 -8.324 1.00 0.00 C ATOM 886 C THR A 56 -8.728 3.045 -7.497 1.00 0.00 C ATOM 887 O THR A 56 -8.271 2.243 -6.684 1.00 0.00 O ATOM 888 CB THR A 56 -7.311 3.266 -9.614 1.00 0.00 C ATOM 889 OG1 THR A 56 -6.324 2.334 -9.176 1.00 0.00 O ATOM 890 CG2 THR A 56 -6.537 4.230 -10.516 1.00 0.00 C ATOM 0 H THR A 56 -6.161 3.521 -7.078 1.00 0.00 H new ATOM 0 HA THR A 56 -8.384 4.807 -8.594 1.00 0.00 H new ATOM 0 HB THR A 56 -8.167 2.867 -10.159 1.00 0.00 H new ATOM 0 HG1 THR A 56 -5.958 1.857 -9.950 1.00 0.00 H new ATOM 0 HG21 THR A 56 -6.217 3.707 -11.417 1.00 0.00 H new ATOM 0 HG22 THR A 56 -7.180 5.066 -10.791 1.00 0.00 H new ATOM 0 HG23 THR A 56 -5.663 4.604 -9.983 1.00 0.00 H new ATOM 898 N ASP A 57 -10.020 3.220 -7.734 1.00 0.00 N ATOM 899 CA ASP A 57 -11.022 2.447 -7.021 1.00 0.00 C ATOM 900 C ASP A 57 -10.833 0.961 -7.333 1.00 0.00 C ATOM 901 O ASP A 57 -10.828 0.563 -8.497 1.00 0.00 O ATOM 902 CB ASP A 57 -12.436 2.843 -7.455 1.00 0.00 C ATOM 903 CG ASP A 57 -12.722 4.346 -7.429 1.00 0.00 C ATOM 904 OD1 ASP A 57 -12.747 5.009 -8.477 1.00 0.00 O ATOM 905 OD2 ASP A 57 -12.926 4.842 -6.256 1.00 0.00 O ATOM 0 H ASP A 57 -10.395 3.886 -8.410 1.00 0.00 H new ATOM 0 HA ASP A 57 -10.902 2.643 -5.956 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -12.607 2.473 -8.466 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -13.153 2.340 -6.806 1.00 0.00 H new ATOM 911 N ARG A 58 -10.679 0.181 -6.274 1.00 0.00 N ATOM 912 CA ARG A 58 -10.487 -1.252 -6.420 1.00 0.00 C ATOM 913 C ARG A 58 -9.079 -1.550 -6.938 1.00 0.00 C ATOM 914 O ARG A 58 -8.874 -2.518 -7.670 1.00 0.00 O ATOM 915 CB ARG A 58 -11.515 -1.848 -7.385 1.00 0.00 C ATOM 916 CG ARG A 58 -12.867 -1.146 -7.248 1.00 0.00 C ATOM 917 CD ARG A 58 -14.001 -2.033 -7.767 1.00 0.00 C ATOM 918 NE ARG A 58 -14.519 -2.884 -6.673 1.00 0.00 N ATOM 919 CZ ARG A 58 -15.243 -4.007 -6.866 1.00 0.00 C ATOM 920 NH1 ARG A 58 -15.654 -4.691 -5.814 1.00 0.00 N ATOM 921 NH2 ARG A 58 -15.541 -4.424 -8.114 1.00 0.00 N ATOM 0 H ARG A 58 -10.683 0.514 -5.310 1.00 0.00 H new ATOM 0 HA ARG A 58 -10.619 -1.706 -5.438 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -11.155 -1.754 -8.409 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -11.632 -2.913 -7.185 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -13.046 -0.895 -6.202 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -12.851 -0.208 -7.803 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -14.803 -1.414 -8.168 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -13.640 -2.657 -8.585 1.00 0.00 H new ATOM 0 HE ARG A 58 -14.316 -2.605 -5.713 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -15.423 -4.369 -4.874 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -16.202 -5.542 -5.941 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -15.219 -3.890 -8.921 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -16.089 -5.274 -8.251 1.00 0.00 H new ATOM 935 N CYS A 59 -8.144 -0.699 -6.540 1.00 0.00 N ATOM 936 CA CYS A 59 -6.761 -0.859 -6.955 1.00 0.00 C ATOM 937 C CYS A 59 -6.139 -1.988 -6.131 1.00 0.00 C ATOM 938 O CYS A 59 -5.436 -2.841 -6.671 1.00 0.00 O ATOM 939 CB CYS A 59 -5.975 0.447 -6.819 1.00 0.00 C ATOM 940 SG CYS A 59 -5.756 0.864 -5.050 1.00 0.00 S ATOM 0 H CYS A 59 -8.318 0.103 -5.935 1.00 0.00 H new ATOM 0 HA CYS A 59 -6.724 -1.120 -8.013 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -5.002 0.348 -7.301 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -6.502 1.253 -7.329 1.00 0.00 H new ATOM 945 N ASN A 60 -6.421 -1.957 -4.837 1.00 0.00 N ATOM 946 CA ASN A 60 -5.898 -2.967 -3.932 1.00 0.00 C ATOM 947 C ASN A 60 -6.982 -4.012 -3.662 1.00 0.00 C ATOM 948 O ASN A 60 -7.085 -4.531 -2.550 1.00 0.00 O ATOM 949 CB ASN A 60 -5.490 -2.350 -2.593 1.00 0.00 C ATOM 950 CG ASN A 60 -6.721 -2.005 -1.752 1.00 0.00 C ATOM 951 OD1 ASN A 60 -7.851 -2.056 -2.208 1.00 0.00 O ATOM 952 ND2 ASN A 60 -6.438 -1.652 -0.501 1.00 0.00 N ATOM 0 H ASN A 60 -7.005 -1.248 -4.393 1.00 0.00 H new ATOM 0 HA ASN A 60 -5.024 -3.420 -4.400 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -4.855 -3.046 -2.046 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -4.900 -1.450 -2.768 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -7.190 -1.403 0.141 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -5.469 -1.630 -0.184 1.00 0.00 H new TER 959 ASN A 60 HETATM 960 O HOH A 101 3.229 -12.408 -0.201 1.00 0.00 O