USER MOD reduce.3.24.130724 H: found=0, std=0, add=409, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 408 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 14 TYR OH : rot 150:sc= 0 USER MOD Set 1.2: A 30 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0152) USER MOD Single : A 1 VAL N :NH3+ -120:sc= -0.0899 (180deg=-0.323) USER MOD Single : A 5 TYR OH : rot 108:sc= 1.23 USER MOD Single : A 8 GLN : amide:sc= 1.02 K(o=1,f=0) USER MOD Single : A 11 ASN : amide:sc= -0.501 X(o=-0.5,f=-0.3) USER MOD Single : A 12 CYS SG : rot 59:sc= 0.0653 USER MOD Single : A 15 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0.0834 USER MOD Single : A 25 THR OG1 : rot 92:sc= 1.21 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0.0278 USER MOD Single : A 34 SER OG : rot -10:sc= 1.14 USER MOD Single : A 36 HIS : no HD1:sc= -0.173 X(o=-0.17,f=-0.17) USER MOD Single : A 40 LYS NZ :NH3+ 169:sc=-0.00709 (180deg=-0.127) USER MOD Single : A 43 HIS : no HD1:sc= -0.305 X(o=-0.31,f=-0.28) USER MOD Single : A 50 ASN : amide:sc= 1.03 K(o=1,f=-4.3!) USER MOD Single : A 55 ASN : amide:sc= -0.163 K(o=-0.16,f=-3.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 5.802 11.980 6.311 1.00 0.00 N ATOM 2 CA VAL A 1 5.465 10.658 5.721 1.00 0.00 C ATOM 3 C VAL A 1 4.523 9.918 6.643 1.00 0.00 C ATOM 4 O VAL A 1 4.155 10.417 7.708 1.00 0.00 O ATOM 5 CB VAL A 1 6.732 9.831 5.425 1.00 0.00 C ATOM 6 CG1 VAL A 1 7.617 10.553 4.384 1.00 0.00 C ATOM 7 CG2 VAL A 1 7.541 9.507 6.702 1.00 0.00 C ATOM 0 H1 VAL A 1 5.502 12.736 5.663 1.00 0.00 H new ATOM 0 H2 VAL A 1 5.311 12.089 7.222 1.00 0.00 H new ATOM 0 H3 VAL A 1 6.829 12.041 6.462 1.00 0.00 H new ATOM 0 HA VAL A 1 4.966 10.818 4.765 1.00 0.00 H new ATOM 0 HB VAL A 1 6.403 8.878 5.012 1.00 0.00 H new ATOM 0 HG11 VAL A 1 8.507 9.956 4.186 1.00 0.00 H new ATOM 0 HG12 VAL A 1 7.056 10.685 3.459 1.00 0.00 H new ATOM 0 HG13 VAL A 1 7.913 11.528 4.772 1.00 0.00 H new ATOM 0 HG21 VAL A 1 8.422 8.923 6.436 1.00 0.00 H new ATOM 0 HG22 VAL A 1 7.852 10.435 7.181 1.00 0.00 H new ATOM 0 HG23 VAL A 1 6.920 8.933 7.390 1.00 0.00 H new ATOM 19 N ARG A 2 4.113 8.686 6.266 1.00 0.00 N ATOM 20 CA ARG A 2 3.367 7.817 7.127 1.00 0.00 C ATOM 21 C ARG A 2 3.808 6.461 6.689 1.00 0.00 C ATOM 22 O ARG A 2 4.635 6.347 5.778 1.00 0.00 O ATOM 23 CB ARG A 2 1.817 7.968 7.089 1.00 0.00 C ATOM 24 CG ARG A 2 1.052 7.633 5.786 1.00 0.00 C ATOM 25 CD ARG A 2 1.296 8.580 4.593 1.00 0.00 C ATOM 26 NE ARG A 2 0.086 8.621 3.688 1.00 0.00 N ATOM 27 CZ ARG A 2 -0.974 9.451 3.932 1.00 0.00 C ATOM 28 NH1 ARG A 2 -1.033 10.212 5.061 1.00 0.00 N ATOM 29 NH2 ARG A 2 -1.993 9.525 3.027 1.00 0.00 N ATOM 0 H ARG A 2 4.305 8.289 5.346 1.00 0.00 H new ATOM 0 HA ARG A 2 3.570 8.051 8.172 1.00 0.00 H new ATOM 0 HB2 ARG A 2 1.408 7.339 7.879 1.00 0.00 H new ATOM 0 HB3 ARG A 2 1.583 9.000 7.350 1.00 0.00 H new ATOM 0 HG2 ARG A 2 1.320 6.621 5.481 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -0.015 7.627 6.007 1.00 0.00 H new ATOM 0 HD2 ARG A 2 1.518 9.583 4.958 1.00 0.00 H new ATOM 0 HD3 ARG A 2 2.167 8.246 4.029 1.00 0.00 H new ATOM 0 HE ARG A 2 0.059 8.011 2.871 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -0.277 10.170 5.745 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -1.833 10.824 5.222 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -1.961 8.964 2.176 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -2.787 10.141 3.202 1.00 0.00 H new ATOM 43 N ASP A 3 3.274 5.402 7.329 1.00 0.00 N ATOM 44 CA ASP A 3 3.594 4.043 7.016 1.00 0.00 C ATOM 45 C ASP A 3 2.206 3.519 7.084 1.00 0.00 C ATOM 46 O ASP A 3 1.428 4.005 7.909 1.00 0.00 O ATOM 47 CB ASP A 3 4.440 3.299 8.089 1.00 0.00 C ATOM 48 CG ASP A 3 5.672 4.119 8.474 1.00 0.00 C ATOM 49 OD1 ASP A 3 6.519 4.387 7.583 1.00 0.00 O ATOM 50 OD2 ASP A 3 5.782 4.491 9.673 1.00 0.00 O ATOM 0 H ASP A 3 2.599 5.496 8.088 1.00 0.00 H new ATOM 0 HA ASP A 3 4.181 3.930 6.105 1.00 0.00 H new ATOM 0 HB2 ASP A 3 3.831 3.112 8.973 1.00 0.00 H new ATOM 0 HB3 ASP A 3 4.750 2.327 7.705 1.00 0.00 H new ATOM 55 N GLY A 4 1.819 2.587 6.205 1.00 0.00 N ATOM 56 CA GLY A 4 0.625 1.847 6.426 1.00 0.00 C ATOM 57 C GLY A 4 0.863 0.715 5.512 1.00 0.00 C ATOM 58 O GLY A 4 1.985 0.538 5.022 1.00 0.00 O ATOM 0 H GLY A 4 2.325 2.348 5.352 1.00 0.00 H new ATOM 0 HA2 GLY A 4 0.515 1.531 7.463 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -0.271 2.412 6.168 1.00 0.00 H new ATOM 62 N TYR A 5 -0.228 0.004 5.170 1.00 0.00 N ATOM 63 CA TYR A 5 -0.227 -0.910 4.069 1.00 0.00 C ATOM 64 C TYR A 5 -0.462 -0.023 2.886 1.00 0.00 C ATOM 65 O TYR A 5 -1.188 0.965 3.012 1.00 0.00 O ATOM 66 CB TYR A 5 -1.373 -1.939 4.119 1.00 0.00 C ATOM 67 CG TYR A 5 -1.266 -2.824 5.322 1.00 0.00 C ATOM 68 CD1 TYR A 5 -1.821 -2.430 6.555 1.00 0.00 C ATOM 69 CD2 TYR A 5 -0.647 -4.078 5.222 1.00 0.00 C ATOM 70 CE1 TYR A 5 -1.771 -3.280 7.665 1.00 0.00 C ATOM 71 CE2 TYR A 5 -0.605 -4.931 6.329 1.00 0.00 C ATOM 72 CZ TYR A 5 -1.182 -4.543 7.544 1.00 0.00 C ATOM 73 OH TYR A 5 -1.249 -5.466 8.607 1.00 0.00 O ATOM 0 H TYR A 5 -1.119 0.064 5.662 1.00 0.00 H new ATOM 0 HA TYR A 5 0.697 -1.488 4.057 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -2.330 -1.418 4.134 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -1.356 -2.548 3.215 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -2.290 -1.461 6.645 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -0.202 -4.386 4.288 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -2.185 -2.963 8.611 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -0.125 -5.895 6.246 1.00 0.00 H new ATOM 0 HH TYR A 5 -1.870 -6.188 8.375 1.00 0.00 H new ATOM 83 N ILE A 6 0.154 -0.311 1.729 1.00 0.00 N ATOM 84 CA ILE A 6 -0.091 0.428 0.527 1.00 0.00 C ATOM 85 C ILE A 6 -1.213 -0.268 -0.198 1.00 0.00 C ATOM 86 O ILE A 6 -1.303 -1.516 -0.216 1.00 0.00 O ATOM 87 CB ILE A 6 1.152 0.723 -0.311 1.00 0.00 C ATOM 88 CG1 ILE A 6 0.897 1.845 -1.345 1.00 0.00 C ATOM 89 CG2 ILE A 6 1.735 -0.559 -0.922 1.00 0.00 C ATOM 90 CD1 ILE A 6 2.135 2.228 -2.153 1.00 0.00 C ATOM 0 H ILE A 6 0.832 -1.066 1.623 1.00 0.00 H new ATOM 0 HA ILE A 6 -0.401 1.443 0.773 1.00 0.00 H new ATOM 0 HB ILE A 6 1.922 1.113 0.355 1.00 0.00 H new ATOM 0 HG12 ILE A 6 0.112 1.524 -2.030 1.00 0.00 H new ATOM 0 HG13 ILE A 6 0.526 2.728 -0.825 1.00 0.00 H new ATOM 0 HG21 ILE A 6 2.618 -0.312 -1.512 1.00 0.00 H new ATOM 0 HG22 ILE A 6 2.012 -1.249 -0.125 1.00 0.00 H new ATOM 0 HG23 ILE A 6 0.989 -1.028 -1.564 1.00 0.00 H new ATOM 0 HD11 ILE A 6 1.879 3.020 -2.857 1.00 0.00 H new ATOM 0 HD12 ILE A 6 2.915 2.580 -1.478 1.00 0.00 H new ATOM 0 HD13 ILE A 6 2.495 1.358 -2.701 1.00 0.00 H new ATOM 102 N ALA A 7 -2.079 0.615 -0.752 1.00 0.00 N ATOM 103 CA ALA A 7 -3.258 0.361 -1.518 1.00 0.00 C ATOM 104 C ALA A 7 -2.943 0.578 -2.960 1.00 0.00 C ATOM 105 O ALA A 7 -1.796 0.770 -3.352 1.00 0.00 O ATOM 106 CB ALA A 7 -4.390 1.357 -1.185 1.00 0.00 C ATOM 0 H ALA A 7 -1.925 1.618 -0.644 1.00 0.00 H new ATOM 0 HA ALA A 7 -3.577 -0.657 -1.292 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -5.267 1.127 -1.790 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -4.647 1.276 -0.129 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -4.057 2.372 -1.401 1.00 0.00 H new ATOM 112 N GLN A 8 -4.010 0.619 -3.771 1.00 0.00 N ATOM 113 CA GLN A 8 -3.981 0.994 -5.149 1.00 0.00 C ATOM 114 C GLN A 8 -4.768 2.254 -5.095 1.00 0.00 C ATOM 115 O GLN A 8 -5.510 2.405 -4.122 1.00 0.00 O ATOM 116 CB GLN A 8 -4.782 0.005 -6.027 1.00 0.00 C ATOM 117 CG GLN A 8 -4.075 -1.346 -6.100 1.00 0.00 C ATOM 118 CD GLN A 8 -4.944 -2.358 -6.837 1.00 0.00 C ATOM 119 OE1 GLN A 8 -4.923 -2.418 -8.070 1.00 0.00 O ATOM 120 NE2 GLN A 8 -5.725 -3.167 -6.064 1.00 0.00 N ATOM 0 H GLN A 8 -4.947 0.377 -3.448 1.00 0.00 H new ATOM 0 HA GLN A 8 -2.972 1.046 -5.558 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -5.783 -0.125 -5.617 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -4.899 0.414 -7.030 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -3.119 -1.237 -6.612 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -3.859 -1.706 -5.094 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -5.705 -3.076 -5.048 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -6.329 -3.863 -6.502 1.00 0.00 H new ATOM 129 N PRO A 9 -4.710 3.149 -6.076 1.00 0.00 N ATOM 130 CA PRO A 9 -5.765 4.120 -6.286 1.00 0.00 C ATOM 131 C PRO A 9 -7.018 3.337 -6.658 1.00 0.00 C ATOM 132 O PRO A 9 -6.880 2.393 -7.434 1.00 0.00 O ATOM 133 CB PRO A 9 -5.261 5.003 -7.439 1.00 0.00 C ATOM 134 CG PRO A 9 -4.217 4.156 -8.183 1.00 0.00 C ATOM 135 CD PRO A 9 -3.669 3.214 -7.104 1.00 0.00 C ATOM 0 HA PRO A 9 -6.003 4.740 -5.422 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -6.079 5.287 -8.101 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -4.820 5.926 -7.062 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -4.666 3.601 -9.007 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -3.429 4.777 -8.609 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -3.461 2.226 -7.515 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -2.733 3.592 -6.692 1.00 0.00 H new ATOM 143 N GLU A 10 -8.217 3.622 -6.096 1.00 0.00 N ATOM 144 CA GLU A 10 -8.569 4.811 -5.344 1.00 0.00 C ATOM 145 C GLU A 10 -8.062 4.732 -3.931 1.00 0.00 C ATOM 146 O GLU A 10 -7.293 5.577 -3.482 1.00 0.00 O ATOM 147 CB GLU A 10 -10.107 5.007 -5.300 1.00 0.00 C ATOM 148 CG GLU A 10 -10.727 5.257 -6.685 1.00 0.00 C ATOM 149 CD GLU A 10 -10.252 6.602 -7.227 1.00 0.00 C ATOM 150 OE1 GLU A 10 -10.632 7.648 -6.635 1.00 0.00 O ATOM 151 OE2 GLU A 10 -9.503 6.603 -8.240 1.00 0.00 O ATOM 0 H GLU A 10 -9.002 2.975 -6.171 1.00 0.00 H new ATOM 0 HA GLU A 10 -8.103 5.655 -5.853 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -10.567 4.123 -4.858 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -10.341 5.848 -4.647 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -10.444 4.458 -7.370 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -11.815 5.246 -6.614 1.00 0.00 H new ATOM 158 N ASN A 11 -8.482 3.696 -3.204 1.00 0.00 N ATOM 159 CA ASN A 11 -8.185 3.399 -1.841 1.00 0.00 C ATOM 160 C ASN A 11 -8.714 2.007 -1.964 1.00 0.00 C ATOM 161 O ASN A 11 -9.635 1.837 -2.759 1.00 0.00 O ATOM 162 CB ASN A 11 -9.041 4.244 -0.853 1.00 0.00 C ATOM 163 CG ASN A 11 -8.952 3.790 0.614 1.00 0.00 C ATOM 164 OD1 ASN A 11 -9.433 2.711 0.984 1.00 0.00 O ATOM 165 ND2 ASN A 11 -8.349 4.658 1.476 1.00 0.00 N ATOM 0 H ASN A 11 -9.095 2.990 -3.612 1.00 0.00 H new ATOM 0 HA ASN A 11 -7.172 3.563 -1.474 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -8.726 5.286 -0.918 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -10.083 4.206 -1.170 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -8.282 4.428 2.467 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -7.965 5.537 1.129 1.00 0.00 H new ATOM 172 N CYS A 12 -8.139 1.019 -1.258 1.00 0.00 N ATOM 173 CA CYS A 12 -8.501 -0.381 -1.217 1.00 0.00 C ATOM 174 C CYS A 12 -7.211 -0.907 -0.702 1.00 0.00 C ATOM 175 O CYS A 12 -6.601 -0.252 0.139 1.00 0.00 O ATOM 176 CB CYS A 12 -8.988 -1.114 -2.511 1.00 0.00 C ATOM 177 SG CYS A 12 -10.739 -0.819 -2.941 1.00 0.00 S ATOM 0 H CYS A 12 -7.341 1.212 -0.653 1.00 0.00 H new ATOM 0 HA CYS A 12 -9.413 -0.545 -0.643 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -8.364 -0.799 -3.348 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -8.834 -2.186 -2.385 1.00 0.00 H new ATOM 0 HG CYS A 12 -10.935 0.455 -3.114 1.00 0.00 H new ATOM 182 N VAL A 13 -6.764 -2.072 -1.193 1.00 0.00 N ATOM 183 CA VAL A 13 -5.512 -2.682 -0.868 1.00 0.00 C ATOM 184 C VAL A 13 -4.836 -2.883 -2.187 1.00 0.00 C ATOM 185 O VAL A 13 -5.474 -2.817 -3.241 1.00 0.00 O ATOM 186 CB VAL A 13 -5.635 -4.026 -0.151 1.00 0.00 C ATOM 187 CG1 VAL A 13 -5.967 -3.781 1.326 1.00 0.00 C ATOM 188 CG2 VAL A 13 -6.714 -4.918 -0.796 1.00 0.00 C ATOM 0 H VAL A 13 -7.308 -2.623 -1.857 1.00 0.00 H new ATOM 0 HA VAL A 13 -4.965 -2.045 -0.173 1.00 0.00 H new ATOM 0 HB VAL A 13 -4.683 -4.550 -0.237 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -6.056 -4.737 1.842 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -5.172 -3.193 1.785 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -6.909 -3.239 1.402 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -6.772 -5.865 -0.259 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -7.679 -4.414 -0.748 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -6.455 -5.107 -1.838 1.00 0.00 H new ATOM 198 N TYR A 14 -3.511 -3.162 -2.135 1.00 0.00 N ATOM 199 CA TYR A 14 -2.775 -3.726 -3.236 1.00 0.00 C ATOM 200 C TYR A 14 -2.921 -5.207 -3.063 1.00 0.00 C ATOM 201 O TYR A 14 -3.875 -5.678 -2.455 1.00 0.00 O ATOM 202 CB TYR A 14 -1.285 -3.247 -3.313 1.00 0.00 C ATOM 203 CG TYR A 14 -0.932 -2.626 -4.645 1.00 0.00 C ATOM 204 CD1 TYR A 14 -1.260 -3.264 -5.856 1.00 0.00 C ATOM 205 CD2 TYR A 14 -0.263 -1.391 -4.699 1.00 0.00 C ATOM 206 CE1 TYR A 14 -1.005 -2.643 -7.086 1.00 0.00 C ATOM 207 CE2 TYR A 14 -0.017 -0.760 -5.924 1.00 0.00 C ATOM 208 CZ TYR A 14 -0.403 -1.376 -7.121 1.00 0.00 C ATOM 209 OH TYR A 14 -0.201 -0.711 -8.350 1.00 0.00 O ATOM 0 H TYR A 14 -2.939 -2.991 -1.308 1.00 0.00 H new ATOM 0 HA TYR A 14 -3.170 -3.390 -4.195 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -1.101 -2.522 -2.520 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -0.626 -4.096 -3.128 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -1.714 -4.244 -5.837 1.00 0.00 H new ATOM 0 HD2 TYR A 14 0.066 -0.923 -3.783 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -1.272 -3.140 -8.007 1.00 0.00 H new ATOM 0 HE2 TYR A 14 0.471 0.203 -5.946 1.00 0.00 H new ATOM 0 HH TYR A 14 -0.240 0.258 -8.208 1.00 0.00 H new ATOM 219 N HIS A 15 -1.977 -5.990 -3.584 1.00 0.00 N ATOM 220 CA HIS A 15 -1.868 -7.377 -3.274 1.00 0.00 C ATOM 221 C HIS A 15 -0.387 -7.439 -3.220 1.00 0.00 C ATOM 222 O HIS A 15 0.276 -6.427 -3.468 1.00 0.00 O ATOM 223 CB HIS A 15 -2.431 -8.352 -4.336 1.00 0.00 C ATOM 224 CG HIS A 15 -3.933 -8.437 -4.285 1.00 0.00 C ATOM 225 ND1 HIS A 15 -4.762 -7.506 -4.856 1.00 0.00 N ATOM 226 CD2 HIS A 15 -4.719 -9.318 -3.626 1.00 0.00 C ATOM 227 CE1 HIS A 15 -6.013 -7.818 -4.548 1.00 0.00 C ATOM 228 NE2 HIS A 15 -6.016 -8.916 -3.803 1.00 0.00 N ATOM 0 H HIS A 15 -1.269 -5.656 -4.238 1.00 0.00 H new ATOM 0 HA HIS A 15 -2.434 -7.683 -2.394 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -2.120 -8.026 -5.328 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -2.006 -9.344 -4.179 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -4.386 -10.178 -3.065 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -6.890 -7.267 -4.854 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -6.842 -9.381 -3.427 1.00 0.00 H new ATOM 237 N CYS A 16 0.170 -8.609 -2.890 1.00 0.00 N ATOM 238 CA CYS A 16 1.570 -8.828 -2.780 1.00 0.00 C ATOM 239 C CYS A 16 1.542 -10.230 -3.270 1.00 0.00 C ATOM 240 O CYS A 16 0.487 -10.868 -3.245 1.00 0.00 O ATOM 241 CB CYS A 16 2.107 -8.711 -1.320 1.00 0.00 C ATOM 242 SG CYS A 16 3.715 -9.507 -0.972 1.00 0.00 S ATOM 0 H CYS A 16 -0.383 -9.443 -2.690 1.00 0.00 H new ATOM 0 HA CYS A 16 2.220 -8.124 -3.301 1.00 0.00 H new ATOM 0 HB2 CYS A 16 2.190 -7.653 -1.072 1.00 0.00 H new ATOM 0 HB3 CYS A 16 1.363 -9.139 -0.648 1.00 0.00 H new ATOM 247 N PHE A 17 2.696 -10.712 -3.747 1.00 0.00 N ATOM 248 CA PHE A 17 2.906 -12.036 -4.222 1.00 0.00 C ATOM 249 C PHE A 17 3.894 -12.432 -3.166 1.00 0.00 C ATOM 250 O PHE A 17 4.931 -11.770 -3.177 1.00 0.00 O ATOM 251 CB PHE A 17 3.591 -12.047 -5.614 1.00 0.00 C ATOM 252 CG PHE A 17 2.865 -11.102 -6.537 1.00 0.00 C ATOM 253 CD1 PHE A 17 1.639 -11.471 -7.114 1.00 0.00 C ATOM 254 CD2 PHE A 17 3.355 -9.799 -6.754 1.00 0.00 C ATOM 255 CE1 PHE A 17 0.909 -10.560 -7.886 1.00 0.00 C ATOM 256 CE2 PHE A 17 2.625 -8.882 -7.520 1.00 0.00 C ATOM 257 CZ PHE A 17 1.402 -9.264 -8.087 1.00 0.00 C ATOM 0 H PHE A 17 3.537 -10.138 -3.804 1.00 0.00 H new ATOM 0 HA PHE A 17 2.016 -12.652 -4.354 1.00 0.00 H new ATOM 0 HB2 PHE A 17 4.636 -11.750 -5.520 1.00 0.00 H new ATOM 0 HB3 PHE A 17 3.582 -13.055 -6.028 1.00 0.00 H new ATOM 0 HD1 PHE A 17 1.255 -12.469 -6.960 1.00 0.00 H new ATOM 0 HD2 PHE A 17 4.302 -9.505 -6.326 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -0.032 -10.855 -8.326 1.00 0.00 H new ATOM 0 HE2 PHE A 17 3.004 -7.882 -7.673 1.00 0.00 H new ATOM 0 HZ PHE A 17 0.839 -8.559 -8.680 1.00 0.00 H new ATOM 267 N PRO A 18 3.661 -13.363 -2.235 1.00 0.00 N ATOM 268 CA PRO A 18 4.364 -13.391 -0.956 1.00 0.00 C ATOM 269 C PRO A 18 5.873 -13.481 -1.028 1.00 0.00 C ATOM 270 O PRO A 18 6.411 -14.570 -1.209 1.00 0.00 O ATOM 271 CB PRO A 18 3.779 -14.627 -0.264 1.00 0.00 C ATOM 272 CG PRO A 18 2.308 -14.614 -0.689 1.00 0.00 C ATOM 273 CD PRO A 18 2.340 -13.988 -2.091 1.00 0.00 C ATOM 0 HA PRO A 18 4.215 -12.448 -0.430 1.00 0.00 H new ATOM 0 HB2 PRO A 18 4.281 -15.541 -0.583 1.00 0.00 H new ATOM 0 HB3 PRO A 18 3.884 -14.568 0.819 1.00 0.00 H new ATOM 0 HG2 PRO A 18 1.888 -15.620 -0.709 1.00 0.00 H new ATOM 0 HG3 PRO A 18 1.698 -14.027 -0.002 1.00 0.00 H new ATOM 0 HD2 PRO A 18 2.183 -14.746 -2.859 1.00 0.00 H new ATOM 0 HD3 PRO A 18 1.546 -13.250 -2.205 1.00 0.00 H new ATOM 281 N GLY A 19 6.573 -12.344 -0.880 1.00 0.00 N ATOM 282 CA GLY A 19 7.982 -12.241 -1.048 1.00 0.00 C ATOM 283 C GLY A 19 8.030 -10.765 -1.212 1.00 0.00 C ATOM 284 O GLY A 19 7.027 -10.103 -0.936 1.00 0.00 O ATOM 0 H GLY A 19 6.134 -11.458 -0.632 1.00 0.00 H new ATOM 0 HA2 GLY A 19 8.546 -12.597 -0.186 1.00 0.00 H new ATOM 0 HA3 GLY A 19 8.353 -12.783 -1.918 1.00 0.00 H new ATOM 288 N SER A 20 9.168 -10.213 -1.670 1.00 0.00 N ATOM 289 CA SER A 20 9.285 -8.790 -1.842 1.00 0.00 C ATOM 290 C SER A 20 8.760 -8.402 -3.190 1.00 0.00 C ATOM 291 O SER A 20 8.082 -7.385 -3.313 1.00 0.00 O ATOM 292 CB SER A 20 10.751 -8.306 -1.760 1.00 0.00 C ATOM 293 OG SER A 20 11.313 -8.657 -0.502 1.00 0.00 O ATOM 0 H SER A 20 10.003 -10.743 -1.921 1.00 0.00 H new ATOM 0 HA SER A 20 8.713 -8.328 -1.037 1.00 0.00 H new ATOM 0 HB2 SER A 20 11.335 -8.752 -2.565 1.00 0.00 H new ATOM 0 HB3 SER A 20 10.793 -7.225 -1.897 1.00 0.00 H new ATOM 0 HG SER A 20 12.242 -8.348 -0.461 1.00 0.00 H new ATOM 299 N SER A 21 9.082 -9.204 -4.232 1.00 0.00 N ATOM 300 CA SER A 21 9.298 -8.793 -5.599 1.00 0.00 C ATOM 301 C SER A 21 8.373 -7.729 -6.138 1.00 0.00 C ATOM 302 O SER A 21 8.783 -6.583 -6.337 1.00 0.00 O ATOM 303 CB SER A 21 9.321 -10.033 -6.521 1.00 0.00 C ATOM 304 OG SER A 21 10.024 -11.093 -5.867 1.00 0.00 O ATOM 0 H SER A 21 9.200 -10.210 -4.112 1.00 0.00 H new ATOM 0 HA SER A 21 10.269 -8.297 -5.590 1.00 0.00 H new ATOM 0 HB2 SER A 21 8.303 -10.346 -6.755 1.00 0.00 H new ATOM 0 HB3 SER A 21 9.805 -9.789 -7.467 1.00 0.00 H new ATOM 0 HG SER A 21 10.040 -11.882 -6.448 1.00 0.00 H new ATOM 310 N GLY A 22 7.086 -8.058 -6.369 1.00 0.00 N ATOM 311 CA GLY A 22 6.185 -7.137 -7.028 1.00 0.00 C ATOM 312 C GLY A 22 5.744 -6.047 -6.102 1.00 0.00 C ATOM 313 O GLY A 22 5.517 -4.914 -6.517 1.00 0.00 O ATOM 0 H GLY A 22 6.666 -8.949 -6.106 1.00 0.00 H new ATOM 0 HA2 GLY A 22 6.679 -6.701 -7.896 1.00 0.00 H new ATOM 0 HA3 GLY A 22 5.314 -7.679 -7.396 1.00 0.00 H new ATOM 317 N CYS A 23 5.637 -6.359 -4.793 1.00 0.00 N ATOM 318 CA CYS A 23 5.152 -5.437 -3.788 1.00 0.00 C ATOM 319 C CYS A 23 6.188 -4.381 -3.583 1.00 0.00 C ATOM 320 O CYS A 23 5.873 -3.195 -3.612 1.00 0.00 O ATOM 321 CB CYS A 23 4.853 -6.145 -2.438 1.00 0.00 C ATOM 322 SG CYS A 23 4.641 -5.092 -0.954 1.00 0.00 S ATOM 0 H CYS A 23 5.892 -7.272 -4.418 1.00 0.00 H new ATOM 0 HA CYS A 23 4.215 -5.005 -4.138 1.00 0.00 H new ATOM 0 HB2 CYS A 23 3.945 -6.736 -2.563 1.00 0.00 H new ATOM 0 HB3 CYS A 23 5.664 -6.845 -2.239 1.00 0.00 H new ATOM 327 N ASP A 24 7.455 -4.788 -3.380 1.00 0.00 N ATOM 328 CA ASP A 24 8.537 -3.879 -3.112 1.00 0.00 C ATOM 329 C ASP A 24 8.787 -3.031 -4.333 1.00 0.00 C ATOM 330 O ASP A 24 9.086 -1.848 -4.209 1.00 0.00 O ATOM 331 CB ASP A 24 9.832 -4.604 -2.673 1.00 0.00 C ATOM 332 CG ASP A 24 10.842 -3.612 -2.089 1.00 0.00 C ATOM 333 OD1 ASP A 24 10.517 -2.988 -1.043 1.00 0.00 O ATOM 334 OD2 ASP A 24 11.942 -3.465 -2.685 1.00 0.00 O ATOM 0 H ASP A 24 7.738 -5.768 -3.402 1.00 0.00 H new ATOM 0 HA ASP A 24 8.243 -3.247 -2.274 1.00 0.00 H new ATOM 0 HB2 ASP A 24 9.593 -5.366 -1.931 1.00 0.00 H new ATOM 0 HB3 ASP A 24 10.273 -5.118 -3.527 1.00 0.00 H new ATOM 339 N THR A 25 8.592 -3.587 -5.548 1.00 0.00 N ATOM 340 CA THR A 25 8.651 -2.811 -6.773 1.00 0.00 C ATOM 341 C THR A 25 7.584 -1.729 -6.781 1.00 0.00 C ATOM 342 O THR A 25 7.886 -0.558 -7.017 1.00 0.00 O ATOM 343 CB THR A 25 8.481 -3.671 -8.013 1.00 0.00 C ATOM 344 OG1 THR A 25 9.423 -4.741 -8.017 1.00 0.00 O ATOM 345 CG2 THR A 25 8.709 -2.836 -9.292 1.00 0.00 C ATOM 0 H THR A 25 8.392 -4.577 -5.691 1.00 0.00 H new ATOM 0 HA THR A 25 9.643 -2.360 -6.799 1.00 0.00 H new ATOM 0 HB THR A 25 7.465 -4.065 -7.997 1.00 0.00 H new ATOM 0 HG1 THR A 25 9.027 -5.527 -7.586 1.00 0.00 H new ATOM 0 HG21 THR A 25 8.582 -3.471 -10.169 1.00 0.00 H new ATOM 0 HG22 THR A 25 7.987 -2.020 -9.328 1.00 0.00 H new ATOM 0 HG23 THR A 25 9.719 -2.426 -9.284 1.00 0.00 H new ATOM 353 N LEU A 26 6.310 -2.093 -6.491 1.00 0.00 N ATOM 354 CA LEU A 26 5.191 -1.167 -6.454 1.00 0.00 C ATOM 355 C LEU A 26 5.410 -0.138 -5.375 1.00 0.00 C ATOM 356 O LEU A 26 5.203 1.055 -5.580 1.00 0.00 O ATOM 357 CB LEU A 26 3.832 -1.860 -6.184 1.00 0.00 C ATOM 358 CG LEU A 26 3.119 -2.486 -7.418 1.00 0.00 C ATOM 359 CD1 LEU A 26 4.003 -2.832 -8.635 1.00 0.00 C ATOM 360 CD2 LEU A 26 2.289 -3.708 -6.989 1.00 0.00 C ATOM 0 H LEU A 26 6.046 -3.054 -6.276 1.00 0.00 H new ATOM 0 HA LEU A 26 5.147 -0.708 -7.442 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.990 -2.646 -5.445 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.159 -1.130 -5.734 1.00 0.00 H new ATOM 0 HG LEU A 26 2.480 -1.684 -7.787 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.385 -3.260 -9.424 1.00 0.00 H new ATOM 0 HD12 LEU A 26 4.486 -1.927 -9.003 1.00 0.00 H new ATOM 0 HD13 LEU A 26 4.764 -3.554 -8.338 1.00 0.00 H new ATOM 0 HD21 LEU A 26 1.795 -4.137 -7.861 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.945 -4.454 -6.540 1.00 0.00 H new ATOM 0 HD23 LEU A 26 1.538 -3.400 -6.261 1.00 0.00 H new ATOM 372 N CYS A 27 5.890 -0.581 -4.197 1.00 0.00 N ATOM 373 CA CYS A 27 6.241 0.268 -3.085 1.00 0.00 C ATOM 374 C CYS A 27 7.261 1.297 -3.501 1.00 0.00 C ATOM 375 O CYS A 27 7.096 2.491 -3.242 1.00 0.00 O ATOM 376 CB CYS A 27 6.816 -0.558 -1.903 1.00 0.00 C ATOM 377 SG CYS A 27 6.903 0.364 -0.350 1.00 0.00 S ATOM 0 H CYS A 27 6.042 -1.571 -4.006 1.00 0.00 H new ATOM 0 HA CYS A 27 5.327 0.766 -2.760 1.00 0.00 H new ATOM 0 HB2 CYS A 27 6.199 -1.444 -1.756 1.00 0.00 H new ATOM 0 HB3 CYS A 27 7.815 -0.906 -2.166 1.00 0.00 H new ATOM 382 N LYS A 28 8.320 0.848 -4.212 1.00 0.00 N ATOM 383 CA LYS A 28 9.435 1.678 -4.608 1.00 0.00 C ATOM 384 C LYS A 28 8.981 2.760 -5.547 1.00 0.00 C ATOM 385 O LYS A 28 9.338 3.926 -5.382 1.00 0.00 O ATOM 386 CB LYS A 28 10.553 0.840 -5.275 1.00 0.00 C ATOM 387 CG LYS A 28 11.864 1.593 -5.549 1.00 0.00 C ATOM 388 CD LYS A 28 12.958 0.662 -6.093 1.00 0.00 C ATOM 389 CE LYS A 28 14.288 1.379 -6.364 1.00 0.00 C ATOM 390 NZ LYS A 28 15.301 0.437 -6.895 1.00 0.00 N ATOM 0 H LYS A 28 8.407 -0.120 -4.522 1.00 0.00 H new ATOM 0 HA LYS A 28 9.841 2.135 -3.705 1.00 0.00 H new ATOM 0 HB2 LYS A 28 10.772 -0.016 -4.637 1.00 0.00 H new ATOM 0 HB3 LYS A 28 10.175 0.446 -6.219 1.00 0.00 H new ATOM 0 HG2 LYS A 28 11.680 2.394 -6.265 1.00 0.00 H new ATOM 0 HG3 LYS A 28 12.212 2.063 -4.629 1.00 0.00 H new ATOM 0 HD2 LYS A 28 13.127 -0.144 -5.379 1.00 0.00 H new ATOM 0 HD3 LYS A 28 12.607 0.202 -7.017 1.00 0.00 H new ATOM 0 HE2 LYS A 28 14.130 2.188 -7.077 1.00 0.00 H new ATOM 0 HE3 LYS A 28 14.655 1.832 -5.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 16.191 0.946 -7.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 15.466 -0.321 -6.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 14.958 0.024 -7.786 1.00 0.00 H new ATOM 404 N GLU A 29 8.151 2.403 -6.555 1.00 0.00 N ATOM 405 CA GLU A 29 7.719 3.347 -7.568 1.00 0.00 C ATOM 406 C GLU A 29 6.706 4.332 -7.034 1.00 0.00 C ATOM 407 O GLU A 29 6.646 5.466 -7.505 1.00 0.00 O ATOM 408 CB GLU A 29 7.178 2.677 -8.860 1.00 0.00 C ATOM 409 CG GLU A 29 5.909 1.835 -8.663 1.00 0.00 C ATOM 410 CD GLU A 29 5.570 1.039 -9.921 1.00 0.00 C ATOM 411 OE1 GLU A 29 6.401 0.181 -10.322 1.00 0.00 O ATOM 412 OE2 GLU A 29 4.468 1.268 -10.486 1.00 0.00 O ATOM 0 H GLU A 29 7.776 1.462 -6.673 1.00 0.00 H new ATOM 0 HA GLU A 29 8.625 3.887 -7.844 1.00 0.00 H new ATOM 0 HB2 GLU A 29 6.972 3.453 -9.597 1.00 0.00 H new ATOM 0 HB3 GLU A 29 7.959 2.041 -9.277 1.00 0.00 H new ATOM 0 HG2 GLU A 29 6.050 1.152 -7.825 1.00 0.00 H new ATOM 0 HG3 GLU A 29 5.074 2.487 -8.406 1.00 0.00 H new ATOM 419 N LYS A 30 5.895 3.940 -6.018 1.00 0.00 N ATOM 420 CA LYS A 30 4.935 4.831 -5.394 1.00 0.00 C ATOM 421 C LYS A 30 5.621 5.698 -4.370 1.00 0.00 C ATOM 422 O LYS A 30 5.101 6.742 -3.980 1.00 0.00 O ATOM 423 CB LYS A 30 3.782 4.088 -4.685 1.00 0.00 C ATOM 424 CG LYS A 30 2.876 3.272 -5.627 1.00 0.00 C ATOM 425 CD LYS A 30 2.056 4.103 -6.628 1.00 0.00 C ATOM 426 CE LYS A 30 1.006 3.268 -7.378 1.00 0.00 C ATOM 427 NZ LYS A 30 1.634 2.171 -8.153 1.00 0.00 N ATOM 0 H LYS A 30 5.903 2.999 -5.624 1.00 0.00 H new ATOM 0 HA LYS A 30 4.512 5.425 -6.204 1.00 0.00 H new ATOM 0 HB2 LYS A 30 4.204 3.418 -3.936 1.00 0.00 H new ATOM 0 HB3 LYS A 30 3.170 4.816 -4.153 1.00 0.00 H new ATOM 0 HG2 LYS A 30 3.496 2.570 -6.184 1.00 0.00 H new ATOM 0 HG3 LYS A 30 2.189 2.680 -5.022 1.00 0.00 H new ATOM 0 HD2 LYS A 30 1.557 4.914 -6.097 1.00 0.00 H new ATOM 0 HD3 LYS A 30 2.731 4.563 -7.350 1.00 0.00 H new ATOM 0 HE2 LYS A 30 0.295 2.850 -6.665 1.00 0.00 H new ATOM 0 HE3 LYS A 30 0.441 3.913 -8.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 0.933 1.758 -8.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 2.433 2.547 -8.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 1.977 1.437 -7.501 1.00 0.00 H new ATOM 441 N GLY A 31 6.825 5.286 -3.930 1.00 0.00 N ATOM 442 CA GLY A 31 7.732 6.157 -3.233 1.00 0.00 C ATOM 443 C GLY A 31 7.689 5.854 -1.781 1.00 0.00 C ATOM 444 O GLY A 31 7.771 6.761 -0.956 1.00 0.00 O ATOM 0 H GLY A 31 7.177 4.337 -4.058 1.00 0.00 H new ATOM 0 HA2 GLY A 31 8.745 6.025 -3.613 1.00 0.00 H new ATOM 0 HA3 GLY A 31 7.460 7.198 -3.407 1.00 0.00 H new ATOM 448 N GLY A 32 7.574 4.554 -1.437 1.00 0.00 N ATOM 449 CA GLY A 32 7.847 4.063 -0.115 1.00 0.00 C ATOM 450 C GLY A 32 9.181 3.439 -0.310 1.00 0.00 C ATOM 451 O GLY A 32 9.437 2.836 -1.353 1.00 0.00 O ATOM 0 H GLY A 32 7.285 3.827 -2.092 1.00 0.00 H new ATOM 0 HA2 GLY A 32 7.871 4.863 0.625 1.00 0.00 H new ATOM 0 HA3 GLY A 32 7.100 3.343 0.219 1.00 0.00 H new ATOM 455 N THR A 33 10.104 3.607 0.653 1.00 0.00 N ATOM 456 CA THR A 33 11.496 3.364 0.381 1.00 0.00 C ATOM 457 C THR A 33 11.792 1.891 0.479 1.00 0.00 C ATOM 458 O THR A 33 12.698 1.365 -0.167 1.00 0.00 O ATOM 459 CB THR A 33 12.364 4.177 1.323 1.00 0.00 C ATOM 460 OG1 THR A 33 11.869 4.107 2.658 1.00 0.00 O ATOM 461 CG2 THR A 33 12.305 5.651 0.866 1.00 0.00 C ATOM 0 H THR A 33 9.898 3.906 1.606 1.00 0.00 H new ATOM 0 HA THR A 33 11.727 3.682 -0.636 1.00 0.00 H new ATOM 0 HB THR A 33 13.381 3.785 1.302 1.00 0.00 H new ATOM 0 HG1 THR A 33 12.444 4.637 3.248 1.00 0.00 H new ATOM 0 HG21 THR A 33 12.921 6.262 1.526 1.00 0.00 H new ATOM 0 HG22 THR A 33 12.678 5.731 -0.155 1.00 0.00 H new ATOM 0 HG23 THR A 33 11.274 6.003 0.904 1.00 0.00 H new ATOM 469 N SER A 34 11.035 1.169 1.316 1.00 0.00 N ATOM 470 CA SER A 34 11.105 -0.251 1.384 1.00 0.00 C ATOM 471 C SER A 34 9.792 -0.500 2.036 1.00 0.00 C ATOM 472 O SER A 34 9.031 0.449 2.261 1.00 0.00 O ATOM 473 CB SER A 34 12.287 -0.808 2.211 1.00 0.00 C ATOM 474 OG SER A 34 13.516 -0.449 1.585 1.00 0.00 O ATOM 0 H SER A 34 10.359 1.581 1.960 1.00 0.00 H new ATOM 0 HA SER A 34 11.279 -0.738 0.425 1.00 0.00 H new ATOM 0 HB2 SER A 34 12.254 -0.411 3.226 1.00 0.00 H new ATOM 0 HB3 SER A 34 12.210 -1.892 2.290 1.00 0.00 H new ATOM 0 HG SER A 34 13.334 -0.077 0.697 1.00 0.00 H new ATOM 480 N GLY A 35 9.488 -1.766 2.346 1.00 0.00 N ATOM 481 CA GLY A 35 8.173 -2.129 2.719 1.00 0.00 C ATOM 482 C GLY A 35 8.361 -3.560 3.019 1.00 0.00 C ATOM 483 O GLY A 35 9.498 -3.986 3.227 1.00 0.00 O ATOM 0 H GLY A 35 10.157 -2.536 2.337 1.00 0.00 H new ATOM 0 HA2 GLY A 35 7.818 -1.568 3.583 1.00 0.00 H new ATOM 0 HA3 GLY A 35 7.455 -1.965 1.916 1.00 0.00 H new ATOM 487 N HIS A 36 7.258 -4.320 3.030 1.00 0.00 N ATOM 488 CA HIS A 36 7.209 -5.685 3.448 1.00 0.00 C ATOM 489 C HIS A 36 5.892 -6.013 2.834 1.00 0.00 C ATOM 490 O HIS A 36 5.422 -5.265 1.977 1.00 0.00 O ATOM 491 CB HIS A 36 7.141 -5.883 4.985 1.00 0.00 C ATOM 492 CG HIS A 36 8.393 -5.439 5.689 1.00 0.00 C ATOM 493 ND1 HIS A 36 9.561 -6.150 5.636 1.00 0.00 N ATOM 494 CD2 HIS A 36 8.641 -4.314 6.402 1.00 0.00 C ATOM 495 CE1 HIS A 36 10.491 -5.475 6.299 1.00 0.00 C ATOM 496 NE2 HIS A 36 9.959 -4.356 6.773 1.00 0.00 N ATOM 0 H HIS A 36 6.350 -3.965 2.731 1.00 0.00 H new ATOM 0 HA HIS A 36 8.080 -6.278 3.169 1.00 0.00 H new ATOM 0 HB2 HIS A 36 6.291 -5.327 5.380 1.00 0.00 H new ATOM 0 HB3 HIS A 36 6.962 -6.936 5.203 1.00 0.00 H new ATOM 0 HD2 HIS A 36 7.933 -3.532 6.634 1.00 0.00 H new ATOM 0 HE1 HIS A 36 11.517 -5.787 6.432 1.00 0.00 H new ATOM 0 HE2 HIS A 36 10.448 -3.648 7.320 1.00 0.00 H new ATOM 505 N CYS A 37 5.206 -7.070 3.282 1.00 0.00 N ATOM 506 CA CYS A 37 3.879 -7.387 2.840 1.00 0.00 C ATOM 507 C CYS A 37 3.235 -7.722 4.131 1.00 0.00 C ATOM 508 O CYS A 37 3.930 -7.837 5.143 1.00 0.00 O ATOM 509 CB CYS A 37 3.788 -8.622 1.919 1.00 0.00 C ATOM 510 SG CYS A 37 4.617 -8.280 0.350 1.00 0.00 S ATOM 0 H CYS A 37 5.577 -7.726 3.969 1.00 0.00 H new ATOM 0 HA CYS A 37 3.445 -6.577 2.254 1.00 0.00 H new ATOM 0 HB2 CYS A 37 4.248 -9.483 2.404 1.00 0.00 H new ATOM 0 HB3 CYS A 37 2.744 -8.878 1.741 1.00 0.00 H new ATOM 515 N GLY A 38 1.902 -7.884 4.136 1.00 0.00 N ATOM 516 CA GLY A 38 1.209 -8.254 5.321 1.00 0.00 C ATOM 517 C GLY A 38 -0.193 -8.308 4.834 1.00 0.00 C ATOM 518 O GLY A 38 -0.450 -8.105 3.643 1.00 0.00 O ATOM 0 H GLY A 38 1.307 -7.758 3.317 1.00 0.00 H new ATOM 0 HA2 GLY A 38 1.546 -9.214 5.711 1.00 0.00 H new ATOM 0 HA3 GLY A 38 1.339 -7.523 6.119 1.00 0.00 H new ATOM 522 N PHE A 39 -1.142 -8.586 5.750 1.00 0.00 N ATOM 523 CA PHE A 39 -2.535 -8.726 5.428 1.00 0.00 C ATOM 524 C PHE A 39 -3.166 -7.557 6.123 1.00 0.00 C ATOM 525 O PHE A 39 -2.759 -7.238 7.246 1.00 0.00 O ATOM 526 CB PHE A 39 -3.104 -10.066 5.980 1.00 0.00 C ATOM 527 CG PHE A 39 -4.249 -10.608 5.161 1.00 0.00 C ATOM 528 CD1 PHE A 39 -5.535 -10.059 5.263 1.00 0.00 C ATOM 529 CD2 PHE A 39 -4.057 -11.709 4.306 1.00 0.00 C ATOM 530 CE1 PHE A 39 -6.608 -10.584 4.533 1.00 0.00 C ATOM 531 CE2 PHE A 39 -5.124 -12.240 3.569 1.00 0.00 C ATOM 532 CZ PHE A 39 -6.401 -11.676 3.681 1.00 0.00 C ATOM 0 H PHE A 39 -0.937 -8.717 6.741 1.00 0.00 H new ATOM 0 HA PHE A 39 -2.724 -8.743 4.355 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -2.305 -10.807 6.011 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -3.439 -9.916 7.006 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -5.701 -9.216 5.917 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -3.075 -12.150 4.217 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -7.592 -10.148 4.627 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -4.962 -13.084 2.915 1.00 0.00 H new ATOM 0 HZ PHE A 39 -7.224 -12.082 3.112 1.00 0.00 H new ATOM 542 N LYS A 40 -4.152 -6.894 5.474 1.00 0.00 N ATOM 543 CA LYS A 40 -4.939 -5.850 6.079 1.00 0.00 C ATOM 544 C LYS A 40 -6.289 -6.486 6.203 1.00 0.00 C ATOM 545 O LYS A 40 -7.112 -6.446 5.283 1.00 0.00 O ATOM 546 CB LYS A 40 -5.039 -4.556 5.227 1.00 0.00 C ATOM 547 CG LYS A 40 -6.051 -3.508 5.741 1.00 0.00 C ATOM 548 CD LYS A 40 -5.816 -3.038 7.186 1.00 0.00 C ATOM 549 CE LYS A 40 -6.886 -2.054 7.688 1.00 0.00 C ATOM 550 NZ LYS A 40 -8.221 -2.697 7.760 1.00 0.00 N ATOM 0 H LYS A 40 -4.408 -7.088 4.506 1.00 0.00 H new ATOM 0 HA LYS A 40 -4.495 -5.516 7.017 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -4.053 -4.093 5.180 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -5.311 -4.831 4.208 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -6.020 -2.640 5.082 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -7.055 -3.927 5.669 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -5.794 -3.907 7.844 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -4.837 -2.564 7.252 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -6.606 -1.681 8.673 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -6.931 -1.192 7.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -8.879 -2.075 8.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -8.579 -2.862 6.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -8.142 -3.605 8.261 1.00 0.00 H new ATOM 564 N VAL A 41 -6.544 -7.135 7.359 1.00 0.00 N ATOM 565 CA VAL A 41 -7.715 -7.952 7.565 1.00 0.00 C ATOM 566 C VAL A 41 -8.911 -7.044 7.588 1.00 0.00 C ATOM 567 O VAL A 41 -8.939 -6.061 8.327 1.00 0.00 O ATOM 568 CB VAL A 41 -7.662 -8.790 8.838 1.00 0.00 C ATOM 569 CG1 VAL A 41 -8.784 -9.852 8.806 1.00 0.00 C ATOM 570 CG2 VAL A 41 -6.275 -9.459 8.964 1.00 0.00 C ATOM 0 H VAL A 41 -5.926 -7.094 8.170 1.00 0.00 H new ATOM 0 HA VAL A 41 -7.773 -8.670 6.747 1.00 0.00 H new ATOM 0 HB VAL A 41 -7.816 -8.150 9.706 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -8.745 -10.450 9.716 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -9.752 -9.356 8.739 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -8.647 -10.500 7.940 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -6.241 -10.057 9.875 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -6.101 -10.102 8.101 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -5.503 -8.691 9.005 1.00 0.00 H new ATOM 580 N GLY A 42 -9.897 -7.333 6.721 1.00 0.00 N ATOM 581 CA GLY A 42 -11.031 -6.481 6.522 1.00 0.00 C ATOM 582 C GLY A 42 -11.049 -6.220 5.062 1.00 0.00 C ATOM 583 O GLY A 42 -12.090 -6.341 4.424 1.00 0.00 O ATOM 0 H GLY A 42 -9.908 -8.175 6.146 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -11.952 -6.963 6.850 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -10.936 -5.555 7.089 1.00 0.00 H new ATOM 587 N HIS A 43 -9.881 -5.861 4.486 1.00 0.00 N ATOM 588 CA HIS A 43 -9.800 -5.523 3.088 1.00 0.00 C ATOM 589 C HIS A 43 -9.260 -6.710 2.342 1.00 0.00 C ATOM 590 O HIS A 43 -9.923 -7.227 1.447 1.00 0.00 O ATOM 591 CB HIS A 43 -8.892 -4.308 2.791 1.00 0.00 C ATOM 592 CG HIS A 43 -9.397 -2.970 3.266 1.00 0.00 C ATOM 593 ND1 HIS A 43 -8.636 -1.835 3.146 1.00 0.00 N ATOM 594 CD2 HIS A 43 -10.606 -2.588 3.738 1.00 0.00 C ATOM 595 CE1 HIS A 43 -9.362 -0.797 3.540 1.00 0.00 C ATOM 596 NE2 HIS A 43 -10.564 -1.228 3.903 1.00 0.00 N ATOM 0 H HIS A 43 -8.993 -5.804 4.985 1.00 0.00 H new ATOM 0 HA HIS A 43 -10.807 -5.253 2.769 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -7.918 -4.488 3.246 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -8.735 -4.253 1.714 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -11.447 -3.234 3.946 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -9.030 0.230 3.562 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -11.327 -0.645 4.247 1.00 0.00 H new ATOM 605 N GLY A 44 -8.034 -7.178 2.659 1.00 0.00 N ATOM 606 CA GLY A 44 -7.457 -8.227 1.868 1.00 0.00 C ATOM 607 C GLY A 44 -6.008 -8.260 2.197 1.00 0.00 C ATOM 608 O GLY A 44 -5.553 -7.579 3.118 1.00 0.00 O ATOM 0 H GLY A 44 -7.460 -6.845 3.434 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -7.927 -9.185 2.092 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -7.609 -8.039 0.805 1.00 0.00 H new ATOM 612 N LEU A 45 -5.238 -9.050 1.415 1.00 0.00 N ATOM 613 CA LEU A 45 -3.804 -9.187 1.528 1.00 0.00 C ATOM 614 C LEU A 45 -3.295 -7.984 0.799 1.00 0.00 C ATOM 615 O LEU A 45 -3.882 -7.637 -0.222 1.00 0.00 O ATOM 616 CB LEU A 45 -3.302 -10.503 0.873 1.00 0.00 C ATOM 617 CG LEU A 45 -1.857 -10.941 1.219 1.00 0.00 C ATOM 618 CD1 LEU A 45 -1.741 -12.478 1.253 1.00 0.00 C ATOM 619 CD2 LEU A 45 -0.809 -10.369 0.249 1.00 0.00 C ATOM 0 H LEU A 45 -5.631 -9.622 0.667 1.00 0.00 H new ATOM 0 HA LEU A 45 -3.460 -9.241 2.561 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.980 -11.307 1.160 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.376 -10.395 -0.209 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.647 -10.534 2.208 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.717 -12.760 1.498 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.418 -12.877 2.008 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -2.006 -12.885 0.277 1.00 0.00 H new ATOM 0 HD21 LEU A 45 0.183 -10.711 0.543 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.025 -10.710 -0.763 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -0.841 -9.280 0.279 1.00 0.00 H new ATOM 631 N ALA A 46 -2.266 -7.280 1.315 1.00 0.00 N ATOM 632 CA ALA A 46 -1.976 -5.953 0.837 1.00 0.00 C ATOM 633 C ALA A 46 -0.498 -5.884 0.665 1.00 0.00 C ATOM 634 O ALA A 46 0.191 -6.892 0.831 1.00 0.00 O ATOM 635 CB ALA A 46 -2.451 -4.889 1.841 1.00 0.00 C ATOM 0 H ALA A 46 -1.644 -7.619 2.049 1.00 0.00 H new ATOM 0 HA ALA A 46 -2.496 -5.755 -0.100 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.220 -3.896 1.455 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -3.527 -4.980 1.986 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -1.943 -5.036 2.794 1.00 0.00 H new ATOM 641 N CYS A 47 0.037 -4.686 0.328 1.00 0.00 N ATOM 642 CA CYS A 47 1.469 -4.556 0.185 1.00 0.00 C ATOM 643 C CYS A 47 1.745 -3.620 1.317 1.00 0.00 C ATOM 644 O CYS A 47 0.820 -2.912 1.710 1.00 0.00 O ATOM 645 CB CYS A 47 1.823 -4.019 -1.226 1.00 0.00 C ATOM 646 SG CYS A 47 3.536 -3.489 -1.494 1.00 0.00 S ATOM 0 H CYS A 47 -0.498 -3.834 0.159 1.00 0.00 H new ATOM 0 HA CYS A 47 2.065 -5.467 0.240 1.00 0.00 H new ATOM 0 HB2 CYS A 47 1.590 -4.797 -1.953 1.00 0.00 H new ATOM 0 HB3 CYS A 47 1.169 -3.175 -1.442 1.00 0.00 H new ATOM 651 N TRP A 48 2.958 -3.602 1.917 1.00 0.00 N ATOM 652 CA TRP A 48 3.225 -2.744 3.051 1.00 0.00 C ATOM 653 C TRP A 48 4.336 -1.860 2.575 1.00 0.00 C ATOM 654 O TRP A 48 5.127 -2.283 1.734 1.00 0.00 O ATOM 655 CB TRP A 48 3.571 -3.531 4.356 1.00 0.00 C ATOM 656 CG TRP A 48 4.138 -2.727 5.513 1.00 0.00 C ATOM 657 CD1 TRP A 48 5.434 -2.332 5.671 1.00 0.00 C ATOM 658 CD2 TRP A 48 3.409 -2.167 6.622 1.00 0.00 C ATOM 659 NE1 TRP A 48 5.557 -1.507 6.753 1.00 0.00 N ATOM 660 CE2 TRP A 48 4.327 -1.399 7.368 1.00 0.00 C ATOM 661 CE3 TRP A 48 2.076 -2.264 7.006 1.00 0.00 C ATOM 662 CZ2 TRP A 48 3.922 -0.703 8.503 1.00 0.00 C ATOM 663 CZ3 TRP A 48 1.668 -1.583 8.163 1.00 0.00 C ATOM 664 CH2 TRP A 48 2.579 -0.809 8.900 1.00 0.00 C ATOM 0 H TRP A 48 3.750 -4.174 1.623 1.00 0.00 H new ATOM 0 HA TRP A 48 2.347 -2.173 3.352 1.00 0.00 H new ATOM 0 HB2 TRP A 48 2.666 -4.030 4.701 1.00 0.00 H new ATOM 0 HB3 TRP A 48 4.288 -4.311 4.102 1.00 0.00 H new ATOM 0 HD1 TRP A 48 6.250 -2.630 5.029 1.00 0.00 H new ATOM 0 HE1 TRP A 48 6.416 -1.047 7.056 1.00 0.00 H new ATOM 0 HE3 TRP A 48 1.374 -2.848 6.429 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 4.621 -0.099 9.063 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 0.641 -1.655 8.491 1.00 0.00 H new ATOM 0 HH2 TRP A 48 2.242 -0.288 9.784 1.00 0.00 H new ATOM 675 N CYS A 49 4.406 -0.605 3.088 1.00 0.00 N ATOM 676 CA CYS A 49 5.431 0.326 2.711 1.00 0.00 C ATOM 677 C CYS A 49 5.753 1.071 3.953 1.00 0.00 C ATOM 678 O CYS A 49 4.910 1.193 4.842 1.00 0.00 O ATOM 679 CB CYS A 49 5.001 1.398 1.686 1.00 0.00 C ATOM 680 SG CYS A 49 4.954 0.759 0.003 1.00 0.00 S ATOM 0 H CYS A 49 3.743 -0.238 3.770 1.00 0.00 H new ATOM 0 HA CYS A 49 6.240 -0.245 2.256 1.00 0.00 H new ATOM 0 HB2 CYS A 49 4.016 1.779 1.955 1.00 0.00 H new ATOM 0 HB3 CYS A 49 5.692 2.240 1.733 1.00 0.00 H new ATOM 685 N ASN A 50 6.978 1.628 4.004 1.00 0.00 N ATOM 686 CA ASN A 50 7.375 2.548 5.028 1.00 0.00 C ATOM 687 C ASN A 50 7.829 3.734 4.245 1.00 0.00 C ATOM 688 O ASN A 50 8.421 3.574 3.177 1.00 0.00 O ATOM 689 CB ASN A 50 8.578 2.086 5.895 1.00 0.00 C ATOM 690 CG ASN A 50 8.110 1.118 6.987 1.00 0.00 C ATOM 691 OD1 ASN A 50 7.838 -0.062 6.736 1.00 0.00 O ATOM 692 ND2 ASN A 50 7.998 1.629 8.248 1.00 0.00 N ATOM 0 H ASN A 50 7.709 1.435 3.319 1.00 0.00 H new ATOM 0 HA ASN A 50 6.552 2.696 5.727 1.00 0.00 H new ATOM 0 HB2 ASN A 50 9.323 1.600 5.265 1.00 0.00 H new ATOM 0 HB3 ASN A 50 9.060 2.951 6.350 1.00 0.00 H new ATOM 0 HD21 ASN A 50 7.683 1.033 9.014 1.00 0.00 H new ATOM 0 HD22 ASN A 50 8.230 2.607 8.425 1.00 0.00 H new ATOM 699 N ALA A 51 7.561 4.941 4.793 1.00 0.00 N ATOM 700 CA ALA A 51 8.031 6.223 4.329 1.00 0.00 C ATOM 701 C ALA A 51 7.356 6.624 3.055 1.00 0.00 C ATOM 702 O ALA A 51 8.016 6.994 2.088 1.00 0.00 O ATOM 703 CB ALA A 51 9.563 6.352 4.185 1.00 0.00 C ATOM 0 H ALA A 51 6.972 5.028 5.622 1.00 0.00 H new ATOM 0 HA ALA A 51 7.755 6.912 5.127 1.00 0.00 H new ATOM 0 HB1 ALA A 51 9.812 7.352 3.831 1.00 0.00 H new ATOM 0 HB2 ALA A 51 10.035 6.182 5.153 1.00 0.00 H new ATOM 0 HB3 ALA A 51 9.925 5.613 3.470 1.00 0.00 H new ATOM 709 N LEU A 52 6.004 6.599 3.044 1.00 0.00 N ATOM 710 CA LEU A 52 5.247 7.090 1.913 1.00 0.00 C ATOM 711 C LEU A 52 4.958 8.527 2.235 1.00 0.00 C ATOM 712 O LEU A 52 4.513 8.768 3.357 1.00 0.00 O ATOM 713 CB LEU A 52 3.888 6.382 1.693 1.00 0.00 C ATOM 714 CG LEU A 52 4.020 4.993 1.029 1.00 0.00 C ATOM 715 CD1 LEU A 52 2.729 4.178 1.166 1.00 0.00 C ATOM 716 CD2 LEU A 52 4.383 5.090 -0.461 1.00 0.00 C ATOM 0 H LEU A 52 5.434 6.242 3.811 1.00 0.00 H new ATOM 0 HA LEU A 52 5.828 6.919 1.007 1.00 0.00 H new ATOM 0 HB2 LEU A 52 3.385 6.271 2.654 1.00 0.00 H new ATOM 0 HB3 LEU A 52 3.254 7.014 1.072 1.00 0.00 H new ATOM 0 HG LEU A 52 4.830 4.489 1.557 1.00 0.00 H new ATOM 0 HD11 LEU A 52 2.859 3.207 0.687 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.500 4.034 2.222 1.00 0.00 H new ATOM 0 HD13 LEU A 52 1.909 4.712 0.686 1.00 0.00 H new ATOM 0 HD21 LEU A 52 4.464 4.088 -0.882 1.00 0.00 H new ATOM 0 HD22 LEU A 52 3.607 5.644 -0.989 1.00 0.00 H new ATOM 0 HD23 LEU A 52 5.336 5.608 -0.570 1.00 0.00 H new ATOM 728 N PRO A 53 5.186 9.510 1.371 1.00 0.00 N ATOM 729 CA PRO A 53 4.816 10.882 1.641 1.00 0.00 C ATOM 730 C PRO A 53 3.329 11.067 1.516 1.00 0.00 C ATOM 731 O PRO A 53 2.606 10.154 1.119 1.00 0.00 O ATOM 732 CB PRO A 53 5.540 11.722 0.571 1.00 0.00 C ATOM 733 CG PRO A 53 6.590 10.787 -0.042 1.00 0.00 C ATOM 734 CD PRO A 53 5.995 9.394 0.160 1.00 0.00 C ATOM 0 HA PRO A 53 5.092 11.176 2.653 1.00 0.00 H new ATOM 0 HB2 PRO A 53 4.842 12.079 -0.186 1.00 0.00 H new ATOM 0 HB3 PRO A 53 6.008 12.602 1.013 1.00 0.00 H new ATOM 0 HG2 PRO A 53 6.752 11.004 -1.098 1.00 0.00 H new ATOM 0 HG3 PRO A 53 7.555 10.887 0.456 1.00 0.00 H new ATOM 0 HD2 PRO A 53 5.388 9.094 -0.695 1.00 0.00 H new ATOM 0 HD3 PRO A 53 6.776 8.642 0.276 1.00 0.00 H new ATOM 742 N ASP A 54 2.855 12.280 1.823 1.00 0.00 N ATOM 743 CA ASP A 54 1.446 12.575 1.869 1.00 0.00 C ATOM 744 C ASP A 54 0.903 12.956 0.511 1.00 0.00 C ATOM 745 O ASP A 54 -0.164 13.560 0.417 1.00 0.00 O ATOM 746 CB ASP A 54 1.161 13.748 2.832 1.00 0.00 C ATOM 747 CG ASP A 54 1.699 13.437 4.232 1.00 0.00 C ATOM 748 OD1 ASP A 54 1.283 12.398 4.811 1.00 0.00 O ATOM 749 OD2 ASP A 54 2.537 14.232 4.736 1.00 0.00 O ATOM 0 H ASP A 54 3.452 13.077 2.045 1.00 0.00 H new ATOM 0 HA ASP A 54 0.956 11.665 2.215 1.00 0.00 H new ATOM 0 HB2 ASP A 54 1.624 14.659 2.452 1.00 0.00 H new ATOM 0 HB3 ASP A 54 0.088 13.933 2.881 1.00 0.00 H new ATOM 754 N ASN A 55 1.603 12.603 -0.592 1.00 0.00 N ATOM 755 CA ASN A 55 1.066 12.768 -1.926 1.00 0.00 C ATOM 756 C ASN A 55 0.443 11.462 -2.336 1.00 0.00 C ATOM 757 O ASN A 55 -0.177 11.378 -3.395 1.00 0.00 O ATOM 758 CB ASN A 55 2.108 13.211 -3.000 1.00 0.00 C ATOM 759 CG ASN A 55 3.168 12.134 -3.291 1.00 0.00 C ATOM 760 OD1 ASN A 55 3.871 11.702 -2.371 1.00 0.00 O ATOM 761 ND2 ASN A 55 3.261 11.679 -4.573 1.00 0.00 N ATOM 0 H ASN A 55 2.541 12.203 -0.564 1.00 0.00 H new ATOM 0 HA ASN A 55 0.340 13.580 -1.880 1.00 0.00 H new ATOM 0 HB2 ASN A 55 1.586 13.458 -3.924 1.00 0.00 H new ATOM 0 HB3 ASN A 55 2.605 14.120 -2.662 1.00 0.00 H new ATOM 0 HD21 ASN A 55 3.934 10.949 -4.808 1.00 0.00 H new ATOM 0 HD22 ASN A 55 2.658 12.068 -5.297 1.00 0.00 H new ATOM 768 N VAL A 56 0.629 10.417 -1.503 1.00 0.00 N ATOM 769 CA VAL A 56 0.128 9.092 -1.732 1.00 0.00 C ATOM 770 C VAL A 56 -1.078 9.028 -0.826 1.00 0.00 C ATOM 771 O VAL A 56 -1.259 9.906 0.019 1.00 0.00 O ATOM 772 CB VAL A 56 1.165 8.021 -1.378 1.00 0.00 C ATOM 773 CG1 VAL A 56 0.859 6.717 -2.150 1.00 0.00 C ATOM 774 CG2 VAL A 56 2.583 8.558 -1.702 1.00 0.00 C ATOM 0 H VAL A 56 1.152 10.500 -0.631 1.00 0.00 H new ATOM 0 HA VAL A 56 -0.112 8.900 -2.778 1.00 0.00 H new ATOM 0 HB VAL A 56 1.120 7.792 -0.313 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.600 5.960 -1.894 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -0.134 6.359 -1.880 1.00 0.00 H new ATOM 0 HG13 VAL A 56 0.895 6.912 -3.222 1.00 0.00 H new ATOM 0 HG21 VAL A 56 3.325 7.800 -1.452 1.00 0.00 H new ATOM 0 HG22 VAL A 56 2.649 8.794 -2.764 1.00 0.00 H new ATOM 0 HG23 VAL A 56 2.773 9.458 -1.118 1.00 0.00 H new ATOM 784 N GLY A 57 -1.934 7.994 -0.947 1.00 0.00 N ATOM 785 CA GLY A 57 -3.028 7.780 -0.051 1.00 0.00 C ATOM 786 C GLY A 57 -3.054 6.303 -0.126 1.00 0.00 C ATOM 787 O GLY A 57 -2.574 5.750 -1.119 1.00 0.00 O ATOM 0 H GLY A 57 -1.863 7.292 -1.684 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -2.836 8.153 0.955 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -3.955 8.242 -0.391 1.00 0.00 H new ATOM 791 N ILE A 58 -3.505 5.639 0.956 1.00 0.00 N ATOM 792 CA ILE A 58 -3.120 4.284 1.232 1.00 0.00 C ATOM 793 C ILE A 58 -4.357 3.585 1.720 1.00 0.00 C ATOM 794 O ILE A 58 -5.455 3.905 1.275 1.00 0.00 O ATOM 795 CB ILE A 58 -1.951 4.226 2.210 1.00 0.00 C ATOM 796 CG1 ILE A 58 -2.207 4.962 3.544 1.00 0.00 C ATOM 797 CG2 ILE A 58 -0.707 4.809 1.505 1.00 0.00 C ATOM 798 CD1 ILE A 58 -1.041 4.775 4.514 1.00 0.00 C ATOM 0 H ILE A 58 -4.140 6.042 1.645 1.00 0.00 H new ATOM 0 HA ILE A 58 -2.746 3.777 0.342 1.00 0.00 H new ATOM 0 HB ILE A 58 -1.803 3.182 2.484 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -2.357 6.025 3.353 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -3.124 4.588 3.998 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.144 4.779 2.185 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.483 4.219 0.616 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -0.903 5.841 1.215 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -1.252 5.305 5.443 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -0.909 3.714 4.724 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -0.129 5.173 4.068 1.00 0.00 H new ATOM 810 N ILE A 59 -4.205 2.594 2.633 1.00 0.00 N ATOM 811 CA ILE A 59 -5.229 1.668 3.067 1.00 0.00 C ATOM 812 C ILE A 59 -6.392 2.341 3.745 1.00 0.00 C ATOM 813 O ILE A 59 -7.513 1.838 3.689 1.00 0.00 O ATOM 814 CB ILE A 59 -4.624 0.520 3.895 1.00 0.00 C ATOM 815 CG1 ILE A 59 -4.783 -0.819 3.146 1.00 0.00 C ATOM 816 CG2 ILE A 59 -5.121 0.410 5.355 1.00 0.00 C ATOM 817 CD1 ILE A 59 -3.915 -0.881 1.892 1.00 0.00 C ATOM 0 H ILE A 59 -3.312 2.428 3.098 1.00 0.00 H new ATOM 0 HA ILE A 59 -5.657 1.223 2.169 1.00 0.00 H new ATOM 0 HB ILE A 59 -3.568 0.770 3.997 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -4.517 -1.640 3.812 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -5.828 -0.958 2.870 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -4.630 -0.431 5.844 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -4.884 1.329 5.890 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -6.200 0.254 5.361 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -4.059 -1.841 1.397 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -4.198 -0.077 1.213 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -2.867 -0.769 2.169 1.00 0.00 H new ATOM 829 N VAL A 60 -6.186 3.510 4.385 1.00 0.00 N ATOM 830 CA VAL A 60 -7.305 4.271 4.837 1.00 0.00 C ATOM 831 C VAL A 60 -6.796 5.642 4.558 1.00 0.00 C ATOM 832 O VAL A 60 -5.619 5.816 4.235 1.00 0.00 O ATOM 833 CB VAL A 60 -7.741 4.124 6.293 1.00 0.00 C ATOM 834 CG1 VAL A 60 -9.178 3.566 6.193 1.00 0.00 C ATOM 835 CG2 VAL A 60 -6.837 3.148 7.073 1.00 0.00 C ATOM 0 H VAL A 60 -5.272 3.916 4.583 1.00 0.00 H new ATOM 0 HA VAL A 60 -8.224 3.953 4.346 1.00 0.00 H new ATOM 0 HB VAL A 60 -7.679 5.069 6.832 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -9.584 3.424 7.195 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -9.804 4.270 5.644 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -9.162 2.610 5.669 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -7.185 3.075 8.104 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -6.876 2.164 6.606 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -5.811 3.515 7.062 1.00 0.00 H new