USER MOD reduce.3.24.130724 H: found=0, std=0, add=550, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 550 hydrogens (5 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 37 TYR OH : rot 40:sc= -0.197 USER MOD Set 1.2: A 50 LYS NZ :NH3+ 180:sc= -0.0784 (180deg=-0.0784) USER MOD Set 1.3: A 55 MET CE :methyl 164:sc= -0.0546 (180deg=-0.377) USER MOD Set 2.1: A 29 ASN : amide:sc= 0 X(o=-0.38,f=-0.78) USER MOD Set 2.2: A 32 CYS SG : rot 180:sc= -0.377 USER MOD Single : A 1 MET CE :methyl -105:sc= -0.0275 (180deg=-1.47!) USER MOD Single : A 1 MET N :NH3+ -108:sc= 0.0764 (180deg=-0.0214) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ -170:sc= -0.0112 (180deg=-0.233) USER MOD Single : A 12 THR OG1 : rot 11:sc= 0.642 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 150:sc= 0.859 (180deg=0.142) USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 ASN :FLIP amide:sc= -0.919 F(o=-1.8,f=-0.92) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -0.0667 X(o=-0.067,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 143:sc= -0.265 (180deg=-1.84!) USER MOD Single : A 51 ASN : amide:sc= -0.83 K(o=-0.83,f=-3.4!) USER MOD Single : A 52 TYR OH : rot -29:sc= 1.09 USER MOD Single : A 56 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0218) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 8.112 2.979 4.505 1.00 0.00 N ATOM 2 CA MET A 1 8.246 1.626 3.978 1.00 0.00 C ATOM 3 C MET A 1 7.673 1.529 2.564 1.00 0.00 C ATOM 4 O MET A 1 6.918 2.381 2.109 1.00 0.00 O ATOM 5 CB MET A 1 7.682 0.576 4.939 1.00 0.00 C ATOM 6 CG MET A 1 6.188 0.433 4.953 1.00 0.00 C ATOM 7 SD MET A 1 5.591 -0.399 6.436 1.00 0.00 S ATOM 8 CE MET A 1 3.920 -0.819 5.896 1.00 0.00 C ATOM 0 H1 MET A 1 9.047 3.434 4.535 1.00 0.00 H new ATOM 0 H2 MET A 1 7.479 3.530 3.891 1.00 0.00 H new ATOM 0 H3 MET A 1 7.715 2.940 5.465 1.00 0.00 H new ATOM 0 HA MET A 1 9.309 1.399 3.896 1.00 0.00 H new ATOM 0 HB2 MET A 1 8.117 -0.391 4.686 1.00 0.00 H new ATOM 0 HB3 MET A 1 8.013 0.820 5.948 1.00 0.00 H new ATOM 0 HG2 MET A 1 5.731 1.420 4.884 1.00 0.00 H new ATOM 0 HG3 MET A 1 5.871 -0.127 4.073 1.00 0.00 H new ATOM 0 HE1 MET A 1 3.204 -0.151 6.375 1.00 0.00 H new ATOM 0 HE2 MET A 1 3.849 -0.710 4.814 1.00 0.00 H new ATOM 0 HE3 MET A 1 3.696 -1.849 6.173 1.00 0.00 H new ATOM 18 N GLU A 2 8.122 0.436 1.907 1.00 0.00 N ATOM 19 CA GLU A 2 7.687 0.164 0.544 1.00 0.00 C ATOM 20 C GLU A 2 6.528 -0.842 0.601 1.00 0.00 C ATOM 21 O GLU A 2 6.576 -1.880 1.253 1.00 0.00 O ATOM 22 CB GLU A 2 8.856 -0.315 -0.334 1.00 0.00 C ATOM 23 CG GLU A 2 9.462 -1.658 0.098 1.00 0.00 C ATOM 24 CD GLU A 2 10.605 -2.114 -0.828 1.00 0.00 C ATOM 25 OE1 GLU A 2 11.584 -1.384 -0.980 1.00 0.00 O ATOM 26 OE2 GLU A 2 10.504 -3.205 -1.389 1.00 0.00 O ATOM 0 H GLU A 2 8.769 -0.249 2.298 1.00 0.00 H new ATOM 0 HA GLU A 2 7.330 1.079 0.072 1.00 0.00 H new ATOM 0 HB2 GLU A 2 8.510 -0.400 -1.364 1.00 0.00 H new ATOM 0 HB3 GLU A 2 9.638 0.444 -0.322 1.00 0.00 H new ATOM 0 HG2 GLU A 2 9.837 -1.572 1.118 1.00 0.00 H new ATOM 0 HG3 GLU A 2 8.681 -2.419 0.108 1.00 0.00 H new ATOM 33 N ALA A 3 5.470 -0.401 -0.097 1.00 0.00 N ATOM 34 CA ALA A 3 4.226 -1.134 -0.250 1.00 0.00 C ATOM 35 C ALA A 3 4.193 -1.603 -1.719 1.00 0.00 C ATOM 36 O ALA A 3 4.649 -0.898 -2.612 1.00 0.00 O ATOM 37 CB ALA A 3 3.106 -0.183 0.200 1.00 0.00 C ATOM 0 H ALA A 3 5.467 0.498 -0.578 1.00 0.00 H new ATOM 0 HA ALA A 3 4.109 -2.032 0.357 1.00 0.00 H new ATOM 0 HB1 ALA A 3 2.143 -0.685 0.106 1.00 0.00 H new ATOM 0 HB2 ALA A 3 3.266 0.102 1.240 1.00 0.00 H new ATOM 0 HB3 ALA A 3 3.113 0.709 -0.426 1.00 0.00 H new ATOM 43 N ILE A 4 3.670 -2.831 -1.923 1.00 0.00 N ATOM 44 CA ILE A 4 3.638 -3.395 -3.273 1.00 0.00 C ATOM 45 C ILE A 4 2.315 -4.133 -3.487 1.00 0.00 C ATOM 46 O ILE A 4 1.993 -5.066 -2.771 1.00 0.00 O ATOM 47 CB ILE A 4 4.795 -4.411 -3.426 1.00 0.00 C ATOM 48 CG1 ILE A 4 6.176 -3.780 -3.134 1.00 0.00 C ATOM 49 CG2 ILE A 4 4.786 -5.073 -4.820 1.00 0.00 C ATOM 50 CD1 ILE A 4 7.326 -4.793 -3.102 1.00 0.00 C ATOM 0 H ILE A 4 3.279 -3.427 -1.193 1.00 0.00 H new ATOM 0 HA ILE A 4 3.739 -2.591 -4.002 1.00 0.00 H new ATOM 0 HB ILE A 4 4.625 -5.185 -2.677 1.00 0.00 H new ATOM 0 HG12 ILE A 4 6.389 -3.027 -3.893 1.00 0.00 H new ATOM 0 HG13 ILE A 4 6.133 -3.263 -2.175 1.00 0.00 H new ATOM 0 HG21 ILE A 4 5.612 -5.781 -4.892 1.00 0.00 H new ATOM 0 HG22 ILE A 4 3.843 -5.600 -4.967 1.00 0.00 H new ATOM 0 HG23 ILE A 4 4.897 -4.307 -5.587 1.00 0.00 H new ATOM 0 HD11 ILE A 4 8.262 -4.275 -2.892 1.00 0.00 H new ATOM 0 HD12 ILE A 4 7.138 -5.533 -2.324 1.00 0.00 H new ATOM 0 HD13 ILE A 4 7.397 -5.293 -4.068 1.00 0.00 H new ATOM 62 N ALA A 5 1.583 -3.689 -4.523 1.00 0.00 N ATOM 63 CA ALA A 5 0.314 -4.331 -4.838 1.00 0.00 C ATOM 64 C ALA A 5 0.546 -5.790 -5.322 1.00 0.00 C ATOM 65 O ALA A 5 1.315 -6.066 -6.236 1.00 0.00 O ATOM 66 CB ALA A 5 -0.335 -3.527 -5.961 1.00 0.00 C ATOM 0 H ALA A 5 1.843 -2.914 -5.133 1.00 0.00 H new ATOM 0 HA ALA A 5 -0.320 -4.362 -3.952 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -1.291 -3.978 -6.226 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -0.497 -2.502 -5.628 1.00 0.00 H new ATOM 0 HB3 ALA A 5 0.319 -3.526 -6.833 1.00 0.00 H new ATOM 72 N LYS A 6 -0.202 -6.683 -4.652 1.00 0.00 N ATOM 73 CA LYS A 6 -0.188 -8.122 -4.904 1.00 0.00 C ATOM 74 C LYS A 6 -1.191 -8.498 -5.989 1.00 0.00 C ATOM 75 O LYS A 6 -0.988 -9.442 -6.744 1.00 0.00 O ATOM 76 CB LYS A 6 -0.668 -8.854 -3.649 1.00 0.00 C ATOM 77 CG LYS A 6 0.410 -8.975 -2.589 1.00 0.00 C ATOM 78 CD LYS A 6 1.067 -10.357 -2.640 1.00 0.00 C ATOM 79 CE LYS A 6 1.719 -10.678 -3.979 1.00 0.00 C ATOM 80 NZ LYS A 6 2.538 -11.883 -3.901 1.00 0.00 N ATOM 0 H LYS A 6 -0.844 -6.413 -3.907 1.00 0.00 H new ATOM 0 HA LYS A 6 0.827 -8.391 -5.195 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -1.524 -8.325 -3.231 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -1.013 -9.850 -3.925 1.00 0.00 H new ATOM 0 HG2 LYS A 6 1.164 -8.203 -2.740 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -0.023 -8.809 -1.603 1.00 0.00 H new ATOM 0 HD2 LYS A 6 1.821 -10.420 -1.855 1.00 0.00 H new ATOM 0 HD3 LYS A 6 0.315 -11.115 -2.422 1.00 0.00 H new ATOM 0 HE2 LYS A 6 0.948 -10.810 -4.738 1.00 0.00 H new ATOM 0 HE3 LYS A 6 2.337 -9.837 -4.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 2.967 -12.072 -4.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 3.289 -11.747 -3.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 1.943 -12.690 -3.624 1.00 0.00 H new ATOM 94 N TYR A 7 -2.278 -7.707 -5.987 1.00 0.00 N ATOM 95 CA TYR A 7 -3.367 -7.919 -6.930 1.00 0.00 C ATOM 96 C TYR A 7 -3.892 -6.572 -7.426 1.00 0.00 C ATOM 97 O TYR A 7 -3.479 -5.507 -6.982 1.00 0.00 O ATOM 98 CB TYR A 7 -4.485 -8.704 -6.229 1.00 0.00 C ATOM 99 CG TYR A 7 -4.026 -10.081 -5.831 1.00 0.00 C ATOM 100 CD1 TYR A 7 -4.060 -11.130 -6.740 1.00 0.00 C ATOM 101 CD2 TYR A 7 -3.556 -10.317 -4.547 1.00 0.00 C ATOM 102 CE1 TYR A 7 -3.636 -12.400 -6.376 1.00 0.00 C ATOM 103 CE2 TYR A 7 -3.111 -11.575 -4.171 1.00 0.00 C ATOM 104 CZ TYR A 7 -3.172 -12.639 -5.077 1.00 0.00 C ATOM 105 OH TYR A 7 -2.773 -13.911 -4.687 1.00 0.00 O ATOM 0 H TYR A 7 -2.417 -6.925 -5.346 1.00 0.00 H new ATOM 0 HA TYR A 7 -3.010 -8.487 -7.789 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -4.814 -8.159 -5.344 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -5.346 -8.784 -6.893 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -4.421 -10.955 -7.743 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -3.537 -9.509 -3.830 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -3.664 -13.205 -7.096 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -2.717 -11.734 -3.178 1.00 0.00 H new ATOM 0 HH TYR A 7 -2.480 -13.890 -3.752 1.00 0.00 H new ATOM 115 N ASP A 8 -4.818 -6.713 -8.402 1.00 0.00 N ATOM 116 CA ASP A 8 -5.452 -5.546 -8.992 1.00 0.00 C ATOM 117 C ASP A 8 -6.671 -5.230 -8.124 1.00 0.00 C ATOM 118 O ASP A 8 -7.428 -6.099 -7.707 1.00 0.00 O ATOM 119 CB ASP A 8 -5.844 -5.816 -10.451 1.00 0.00 C ATOM 120 CG ASP A 8 -6.309 -4.569 -11.236 1.00 0.00 C ATOM 121 OD1 ASP A 8 -6.330 -3.472 -10.683 1.00 0.00 O ATOM 122 OD2 ASP A 8 -6.651 -4.708 -12.408 1.00 0.00 O ATOM 0 H ASP A 8 -5.127 -7.608 -8.781 1.00 0.00 H new ATOM 0 HA ASP A 8 -4.772 -4.694 -9.017 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -4.990 -6.256 -10.967 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -6.643 -6.557 -10.467 1.00 0.00 H new ATOM 127 N PHE A 9 -6.749 -3.920 -7.871 1.00 0.00 N ATOM 128 CA PHE A 9 -7.802 -3.367 -7.042 1.00 0.00 C ATOM 129 C PHE A 9 -8.307 -2.041 -7.600 1.00 0.00 C ATOM 130 O PHE A 9 -7.598 -1.262 -8.225 1.00 0.00 O ATOM 131 CB PHE A 9 -7.246 -3.127 -5.634 1.00 0.00 C ATOM 132 CG PHE A 9 -8.339 -2.913 -4.624 1.00 0.00 C ATOM 133 CD1 PHE A 9 -9.173 -3.976 -4.311 1.00 0.00 C ATOM 134 CD2 PHE A 9 -8.549 -1.684 -4.001 1.00 0.00 C ATOM 135 CE1 PHE A 9 -10.202 -3.823 -3.401 1.00 0.00 C ATOM 136 CE2 PHE A 9 -9.582 -1.528 -3.081 1.00 0.00 C ATOM 137 CZ PHE A 9 -10.407 -2.603 -2.780 1.00 0.00 C ATOM 0 H PHE A 9 -6.091 -3.230 -8.233 1.00 0.00 H new ATOM 0 HA PHE A 9 -8.632 -4.073 -7.021 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -6.638 -3.981 -5.334 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -6.590 -2.257 -5.647 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -9.017 -4.934 -4.784 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -7.906 -0.848 -4.233 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -10.848 -4.658 -3.174 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -9.741 -0.573 -2.603 1.00 0.00 H new ATOM 0 HZ PHE A 9 -11.207 -2.488 -2.063 1.00 0.00 H new ATOM 147 N LYS A 10 -9.599 -1.861 -7.299 1.00 0.00 N ATOM 148 CA LYS A 10 -10.299 -0.640 -7.667 1.00 0.00 C ATOM 149 C LYS A 10 -11.096 -0.167 -6.454 1.00 0.00 C ATOM 150 O LYS A 10 -11.913 -0.891 -5.898 1.00 0.00 O ATOM 151 CB LYS A 10 -11.197 -0.812 -8.890 1.00 0.00 C ATOM 152 CG LYS A 10 -10.404 -1.143 -10.152 1.00 0.00 C ATOM 153 CD LYS A 10 -9.461 -0.020 -10.618 1.00 0.00 C ATOM 154 CE LYS A 10 -8.772 -0.375 -11.941 1.00 0.00 C ATOM 155 NZ LYS A 10 -8.053 -1.648 -11.883 1.00 0.00 N ATOM 0 H LYS A 10 -10.172 -2.545 -6.805 1.00 0.00 H new ATOM 0 HA LYS A 10 -9.563 0.111 -7.955 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -11.919 -1.606 -8.699 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -11.766 0.104 -9.051 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -9.817 -2.044 -9.973 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -11.103 -1.373 -10.957 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -10.026 0.904 -10.738 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -8.707 0.164 -9.852 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -9.519 -0.421 -12.733 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -8.074 0.419 -12.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -7.471 -1.757 -12.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -7.440 -1.663 -11.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -8.736 -2.430 -11.827 1.00 0.00 H new ATOM 169 N ALA A 11 -10.780 1.090 -6.086 1.00 0.00 N ATOM 170 CA ALA A 11 -11.437 1.740 -4.937 1.00 0.00 C ATOM 171 C ALA A 11 -12.978 1.694 -5.002 1.00 0.00 C ATOM 172 O ALA A 11 -13.590 1.604 -6.059 1.00 0.00 O ATOM 173 CB ALA A 11 -11.008 3.199 -4.777 1.00 0.00 C ATOM 0 H ALA A 11 -10.085 1.667 -6.560 1.00 0.00 H new ATOM 0 HA ALA A 11 -11.109 1.159 -4.075 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -11.518 3.636 -3.918 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -9.930 3.246 -4.622 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -11.270 3.756 -5.677 1.00 0.00 H new ATOM 179 N THR A 12 -13.537 1.794 -3.775 1.00 0.00 N ATOM 180 CA THR A 12 -14.987 1.800 -3.552 1.00 0.00 C ATOM 181 C THR A 12 -15.417 3.112 -2.853 1.00 0.00 C ATOM 182 O THR A 12 -16.583 3.311 -2.524 1.00 0.00 O ATOM 183 CB THR A 12 -15.477 0.561 -2.742 1.00 0.00 C ATOM 184 OG1 THR A 12 -16.602 0.727 -1.819 1.00 0.00 O ATOM 185 CG2 THR A 12 -14.286 -0.167 -2.097 1.00 0.00 C ATOM 0 H THR A 12 -12.990 1.872 -2.917 1.00 0.00 H new ATOM 0 HA THR A 12 -15.461 1.741 -4.532 1.00 0.00 H new ATOM 0 HB THR A 12 -15.939 -0.065 -3.506 1.00 0.00 H new ATOM 0 HG1 THR A 12 -17.022 1.600 -1.968 1.00 0.00 H new ATOM 0 HG21 THR A 12 -14.647 -1.029 -1.536 1.00 0.00 H new ATOM 0 HG22 THR A 12 -13.600 -0.502 -2.875 1.00 0.00 H new ATOM 0 HG23 THR A 12 -13.766 0.513 -1.423 1.00 0.00 H new ATOM 193 N ALA A 13 -14.410 3.988 -2.650 1.00 0.00 N ATOM 194 CA ALA A 13 -14.627 5.269 -1.994 1.00 0.00 C ATOM 195 C ALA A 13 -13.598 6.288 -2.482 1.00 0.00 C ATOM 196 O ALA A 13 -12.564 5.982 -3.059 1.00 0.00 O ATOM 197 CB ALA A 13 -14.523 5.082 -0.475 1.00 0.00 C ATOM 0 H ALA A 13 -13.445 3.820 -2.935 1.00 0.00 H new ATOM 0 HA ALA A 13 -15.621 5.643 -2.240 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -14.685 6.039 0.021 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -15.278 4.369 -0.144 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -13.532 4.705 -0.222 1.00 0.00 H new ATOM 203 N ASP A 14 -14.009 7.527 -2.183 1.00 0.00 N ATOM 204 CA ASP A 14 -13.302 8.762 -2.477 1.00 0.00 C ATOM 205 C ASP A 14 -12.008 8.904 -1.636 1.00 0.00 C ATOM 206 O ASP A 14 -11.078 9.609 -2.012 1.00 0.00 O ATOM 207 CB ASP A 14 -14.325 9.858 -2.138 1.00 0.00 C ATOM 208 CG ASP A 14 -15.280 10.130 -3.314 1.00 0.00 C ATOM 209 OD1 ASP A 14 -16.276 9.419 -3.447 1.00 0.00 O ATOM 210 OD2 ASP A 14 -15.021 11.060 -4.079 1.00 0.00 O ATOM 0 H ASP A 14 -14.893 7.694 -1.703 1.00 0.00 H new ATOM 0 HA ASP A 14 -12.962 8.810 -3.512 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -14.902 9.559 -1.263 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -13.800 10.777 -1.875 1.00 0.00 H new ATOM 215 N ASP A 15 -12.013 8.187 -0.491 1.00 0.00 N ATOM 216 CA ASP A 15 -10.884 8.180 0.440 1.00 0.00 C ATOM 217 C ASP A 15 -9.840 7.099 0.080 1.00 0.00 C ATOM 218 O ASP A 15 -8.690 7.149 0.495 1.00 0.00 O ATOM 219 CB ASP A 15 -11.438 8.010 1.861 1.00 0.00 C ATOM 220 CG ASP A 15 -12.186 6.683 2.076 1.00 0.00 C ATOM 221 OD1 ASP A 15 -11.529 5.665 2.282 1.00 0.00 O ATOM 222 OD2 ASP A 15 -13.416 6.685 2.056 1.00 0.00 O ATOM 0 H ASP A 15 -12.797 7.605 -0.196 1.00 0.00 H new ATOM 0 HA ASP A 15 -10.347 9.126 0.373 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -10.615 8.073 2.573 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -12.113 8.837 2.080 1.00 0.00 H new ATOM 227 N GLU A 16 -10.336 6.143 -0.730 1.00 0.00 N ATOM 228 CA GLU A 16 -9.562 5.012 -1.230 1.00 0.00 C ATOM 229 C GLU A 16 -9.143 5.304 -2.682 1.00 0.00 C ATOM 230 O GLU A 16 -9.756 6.089 -3.391 1.00 0.00 O ATOM 231 CB GLU A 16 -10.469 3.766 -1.255 1.00 0.00 C ATOM 232 CG GLU A 16 -10.548 3.072 0.105 1.00 0.00 C ATOM 233 CD GLU A 16 -11.635 1.983 0.113 1.00 0.00 C ATOM 234 OE1 GLU A 16 -11.444 0.965 -0.555 1.00 0.00 O ATOM 235 OE2 GLU A 16 -12.655 2.168 0.781 1.00 0.00 O ATOM 0 H GLU A 16 -11.303 6.144 -1.055 1.00 0.00 H new ATOM 0 HA GLU A 16 -8.691 4.851 -0.595 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -11.471 4.056 -1.570 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -10.093 3.062 -1.997 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -9.582 2.627 0.346 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -10.762 3.808 0.880 1.00 0.00 H new ATOM 242 N LEU A 17 -8.051 4.614 -3.071 1.00 0.00 N ATOM 243 CA LEU A 17 -7.562 4.742 -4.453 1.00 0.00 C ATOM 244 C LEU A 17 -7.149 3.376 -5.004 1.00 0.00 C ATOM 245 O LEU A 17 -6.896 2.408 -4.296 1.00 0.00 O ATOM 246 CB LEU A 17 -6.602 5.924 -4.698 1.00 0.00 C ATOM 247 CG LEU A 17 -5.235 5.888 -3.997 1.00 0.00 C ATOM 248 CD1 LEU A 17 -4.183 5.105 -4.785 1.00 0.00 C ATOM 249 CD2 LEU A 17 -4.706 7.312 -3.829 1.00 0.00 C ATOM 0 H LEU A 17 -7.512 3.988 -2.473 1.00 0.00 H new ATOM 0 HA LEU A 17 -8.396 5.060 -5.079 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -6.427 5.998 -5.771 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -7.111 6.839 -4.394 1.00 0.00 H new ATOM 0 HG LEU A 17 -5.395 5.395 -3.038 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -3.239 5.115 -4.240 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -4.517 4.076 -4.914 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -4.043 5.566 -5.763 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -3.737 7.284 -3.332 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -4.598 7.778 -4.808 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -5.406 7.891 -3.227 1.00 0.00 H new ATOM 261 N SER A 18 -7.108 3.422 -6.343 1.00 0.00 N ATOM 262 CA SER A 18 -6.829 2.277 -7.180 1.00 0.00 C ATOM 263 C SER A 18 -5.322 2.053 -7.370 1.00 0.00 C ATOM 264 O SER A 18 -4.490 2.946 -7.264 1.00 0.00 O ATOM 265 CB SER A 18 -7.398 2.673 -8.577 1.00 0.00 C ATOM 266 OG SER A 18 -8.824 3.041 -8.771 1.00 0.00 O ATOM 0 H SER A 18 -7.273 4.279 -6.872 1.00 0.00 H new ATOM 0 HA SER A 18 -7.253 1.375 -6.739 1.00 0.00 H new ATOM 0 HB2 SER A 18 -6.805 3.517 -8.930 1.00 0.00 H new ATOM 0 HB3 SER A 18 -7.195 1.838 -9.247 1.00 0.00 H new ATOM 0 HG SER A 18 -8.981 3.257 -9.714 1.00 0.00 H new ATOM 272 N PHE A 19 -5.093 0.772 -7.704 1.00 0.00 N ATOM 273 CA PHE A 19 -3.767 0.238 -7.998 1.00 0.00 C ATOM 274 C PHE A 19 -3.972 -1.046 -8.790 1.00 0.00 C ATOM 275 O PHE A 19 -4.957 -1.754 -8.642 1.00 0.00 O ATOM 276 CB PHE A 19 -2.891 -0.039 -6.763 1.00 0.00 C ATOM 277 CG PHE A 19 -3.554 -0.908 -5.727 1.00 0.00 C ATOM 278 CD1 PHE A 19 -3.432 -2.295 -5.771 1.00 0.00 C ATOM 279 CD2 PHE A 19 -4.278 -0.331 -4.691 1.00 0.00 C ATOM 280 CE1 PHE A 19 -3.992 -3.086 -4.781 1.00 0.00 C ATOM 281 CE2 PHE A 19 -4.854 -1.120 -3.708 1.00 0.00 C ATOM 282 CZ PHE A 19 -4.701 -2.498 -3.744 1.00 0.00 C ATOM 0 H PHE A 19 -5.836 0.077 -7.776 1.00 0.00 H new ATOM 0 HA PHE A 19 -3.219 0.997 -8.556 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -1.966 -0.517 -7.086 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -2.616 0.911 -6.304 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -2.895 -2.759 -6.585 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -4.393 0.742 -4.651 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -3.877 -4.159 -4.817 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -5.423 -0.661 -2.913 1.00 0.00 H new ATOM 0 HZ PHE A 19 -5.133 -3.111 -2.967 1.00 0.00 H new ATOM 292 N LYS A 20 -2.964 -1.268 -9.643 1.00 0.00 N ATOM 293 CA LYS A 20 -2.926 -2.422 -10.519 1.00 0.00 C ATOM 294 C LYS A 20 -1.868 -3.362 -9.945 1.00 0.00 C ATOM 295 O LYS A 20 -0.864 -2.907 -9.412 1.00 0.00 O ATOM 296 CB LYS A 20 -2.507 -1.959 -11.929 1.00 0.00 C ATOM 297 CG LYS A 20 -3.287 -0.735 -12.459 1.00 0.00 C ATOM 298 CD LYS A 20 -2.370 0.280 -13.164 1.00 0.00 C ATOM 299 CE LYS A 20 -2.981 1.681 -13.246 1.00 0.00 C ATOM 300 NZ LYS A 20 -2.121 2.609 -13.975 1.00 0.00 N ATOM 0 H LYS A 20 -2.159 -0.649 -9.737 1.00 0.00 H new ATOM 0 HA LYS A 20 -3.894 -2.918 -10.587 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -1.444 -1.720 -11.918 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -2.640 -2.788 -12.624 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -4.057 -1.070 -13.154 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -3.798 -0.245 -11.630 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -1.420 0.334 -12.632 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -2.151 -0.075 -14.171 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -3.953 1.625 -13.737 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -3.154 2.061 -12.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -2.571 3.546 -14.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -1.202 2.683 -13.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -1.977 2.260 -14.944 1.00 0.00 H new ATOM 314 N ARG A 21 -2.157 -4.673 -10.060 1.00 0.00 N ATOM 315 CA ARG A 21 -1.219 -5.707 -9.594 1.00 0.00 C ATOM 316 C ARG A 21 0.237 -5.423 -10.047 1.00 0.00 C ATOM 317 O ARG A 21 0.618 -5.684 -11.181 1.00 0.00 O ATOM 318 CB ARG A 21 -1.666 -7.062 -10.165 1.00 0.00 C ATOM 319 CG ARG A 21 -0.894 -8.254 -9.577 1.00 0.00 C ATOM 320 CD ARG A 21 0.361 -8.689 -10.351 1.00 0.00 C ATOM 321 NE ARG A 21 1.572 -8.237 -9.665 1.00 0.00 N ATOM 322 CZ ARG A 21 2.804 -8.654 -10.024 1.00 0.00 C ATOM 323 NH1 ARG A 21 2.972 -9.488 -11.042 1.00 0.00 N ATOM 324 NH2 ARG A 21 3.867 -8.226 -9.356 1.00 0.00 N ATOM 0 H ARG A 21 -3.020 -5.035 -10.466 1.00 0.00 H new ATOM 0 HA ARG A 21 -1.231 -5.711 -8.504 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -2.730 -7.196 -9.972 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -1.537 -7.053 -11.247 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -0.600 -8.004 -8.557 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -1.572 -9.105 -9.514 1.00 0.00 H new ATOM 0 HD2 ARG A 21 0.376 -9.774 -10.449 1.00 0.00 H new ATOM 0 HD3 ARG A 21 0.333 -8.278 -11.360 1.00 0.00 H new ATOM 0 HE ARG A 21 1.482 -7.583 -8.887 1.00 0.00 H new ATOM 0 HH11 ARG A 21 2.163 -9.823 -11.566 1.00 0.00 H new ATOM 0 HH12 ARG A 21 3.910 -9.794 -11.301 1.00 0.00 H new ATOM 0 HH21 ARG A 21 3.752 -7.583 -8.573 1.00 0.00 H new ATOM 0 HH22 ARG A 21 4.799 -8.540 -9.626 1.00 0.00 H new ATOM 338 N GLY A 22 1.007 -4.884 -9.075 1.00 0.00 N ATOM 339 CA GLY A 22 2.410 -4.559 -9.298 1.00 0.00 C ATOM 340 C GLY A 22 2.774 -3.079 -9.111 1.00 0.00 C ATOM 341 O GLY A 22 3.922 -2.724 -9.357 1.00 0.00 O ATOM 0 H GLY A 22 0.670 -4.670 -8.136 1.00 0.00 H new ATOM 0 HA2 GLY A 22 3.018 -5.155 -8.617 1.00 0.00 H new ATOM 0 HA3 GLY A 22 2.680 -4.858 -10.311 1.00 0.00 H new ATOM 345 N ASP A 23 1.806 -2.218 -8.684 1.00 0.00 N ATOM 346 CA ASP A 23 2.194 -0.827 -8.506 1.00 0.00 C ATOM 347 C ASP A 23 3.033 -0.712 -7.225 1.00 0.00 C ATOM 348 O ASP A 23 2.884 -1.473 -6.273 1.00 0.00 O ATOM 349 CB ASP A 23 0.977 0.116 -8.426 1.00 0.00 C ATOM 350 CG ASP A 23 0.150 0.232 -9.723 1.00 0.00 C ATOM 351 OD1 ASP A 23 0.464 -0.427 -10.713 1.00 0.00 O ATOM 352 OD2 ASP A 23 -0.805 1.011 -9.731 1.00 0.00 O ATOM 0 H ASP A 23 0.835 -2.453 -8.477 1.00 0.00 H new ATOM 0 HA ASP A 23 2.775 -0.520 -9.376 1.00 0.00 H new ATOM 0 HB2 ASP A 23 0.322 -0.229 -7.626 1.00 0.00 H new ATOM 0 HB3 ASP A 23 1.326 1.110 -8.146 1.00 0.00 H new ATOM 357 N ILE A 24 3.912 0.302 -7.277 1.00 0.00 N ATOM 358 CA ILE A 24 4.822 0.646 -6.235 1.00 0.00 C ATOM 359 C ILE A 24 4.212 1.841 -5.483 1.00 0.00 C ATOM 360 O ILE A 24 3.958 2.906 -6.034 1.00 0.00 O ATOM 361 CB ILE A 24 6.151 0.987 -6.931 1.00 0.00 C ATOM 362 CG1 ILE A 24 6.032 1.830 -8.227 1.00 0.00 C ATOM 363 CG2 ILE A 24 6.981 -0.278 -7.187 1.00 0.00 C ATOM 364 CD1 ILE A 24 7.329 2.564 -8.579 1.00 0.00 C ATOM 0 H ILE A 24 3.991 0.913 -8.090 1.00 0.00 H new ATOM 0 HA ILE A 24 5.001 -0.146 -5.508 1.00 0.00 H new ATOM 0 HB ILE A 24 6.666 1.635 -6.222 1.00 0.00 H new ATOM 0 HG12 ILE A 24 5.753 1.178 -9.055 1.00 0.00 H new ATOM 0 HG13 ILE A 24 5.229 2.557 -8.109 1.00 0.00 H new ATOM 0 HG21 ILE A 24 7.915 -0.007 -7.680 1.00 0.00 H new ATOM 0 HG22 ILE A 24 7.200 -0.768 -6.238 1.00 0.00 H new ATOM 0 HG23 ILE A 24 6.418 -0.959 -7.825 1.00 0.00 H new ATOM 0 HD11 ILE A 24 7.186 3.137 -9.495 1.00 0.00 H new ATOM 0 HD12 ILE A 24 7.597 3.239 -7.766 1.00 0.00 H new ATOM 0 HD13 ILE A 24 8.129 1.839 -8.727 1.00 0.00 H new ATOM 376 N LEU A 25 3.997 1.562 -4.183 1.00 0.00 N ATOM 377 CA LEU A 25 3.399 2.506 -3.265 1.00 0.00 C ATOM 378 C LEU A 25 4.420 3.131 -2.332 1.00 0.00 C ATOM 379 O LEU A 25 5.513 2.638 -2.083 1.00 0.00 O ATOM 380 CB LEU A 25 2.533 1.686 -2.309 1.00 0.00 C ATOM 381 CG LEU A 25 1.241 1.115 -2.875 1.00 0.00 C ATOM 382 CD1 LEU A 25 0.635 1.919 -3.997 1.00 0.00 C ATOM 383 CD2 LEU A 25 1.311 -0.377 -3.228 1.00 0.00 C ATOM 0 H LEU A 25 4.240 0.669 -3.755 1.00 0.00 H new ATOM 0 HA LEU A 25 2.891 3.267 -3.857 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.134 0.859 -1.931 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.282 2.314 -1.454 1.00 0.00 H new ATOM 0 HG LEU A 25 0.553 1.204 -2.034 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -0.281 1.436 -4.337 1.00 0.00 H new ATOM 0 HD12 LEU A 25 0.406 2.924 -3.642 1.00 0.00 H new ATOM 0 HD13 LEU A 25 1.342 1.979 -4.825 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.349 -0.703 -3.624 1.00 0.00 H new ATOM 0 HD22 LEU A 25 2.086 -0.538 -3.978 1.00 0.00 H new ATOM 0 HD23 LEU A 25 1.548 -0.952 -2.333 1.00 0.00 H new ATOM 395 N LYS A 26 3.888 4.250 -1.819 1.00 0.00 N ATOM 396 CA LYS A 26 4.575 5.054 -0.825 1.00 0.00 C ATOM 397 C LYS A 26 3.770 4.863 0.439 1.00 0.00 C ATOM 398 O LYS A 26 2.581 5.101 0.406 1.00 0.00 O ATOM 399 CB LYS A 26 4.616 6.527 -1.221 1.00 0.00 C ATOM 400 CG LYS A 26 5.113 7.475 -0.111 1.00 0.00 C ATOM 401 CD LYS A 26 6.566 7.223 0.314 1.00 0.00 C ATOM 402 CE LYS A 26 7.034 8.195 1.404 1.00 0.00 C ATOM 403 NZ LYS A 26 6.194 8.139 2.598 1.00 0.00 N ATOM 0 H LYS A 26 2.973 4.613 -2.087 1.00 0.00 H new ATOM 0 HA LYS A 26 5.616 4.751 -0.711 1.00 0.00 H new ATOM 0 HB2 LYS A 26 5.262 6.638 -2.092 1.00 0.00 H new ATOM 0 HB3 LYS A 26 3.616 6.836 -1.524 1.00 0.00 H new ATOM 0 HG2 LYS A 26 5.019 8.505 -0.456 1.00 0.00 H new ATOM 0 HG3 LYS A 26 4.466 7.370 0.760 1.00 0.00 H new ATOM 0 HD2 LYS A 26 6.663 6.200 0.677 1.00 0.00 H new ATOM 0 HD3 LYS A 26 7.217 7.316 -0.555 1.00 0.00 H new ATOM 0 HE2 LYS A 26 8.064 7.963 1.676 1.00 0.00 H new ATOM 0 HE3 LYS A 26 7.030 9.210 1.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 6.765 8.372 3.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 5.416 8.823 2.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 5.802 7.181 2.702 1.00 0.00 H new ATOM 417 N VAL A 27 4.402 4.445 1.546 1.00 0.00 N ATOM 418 CA VAL A 27 3.576 4.272 2.735 1.00 0.00 C ATOM 419 C VAL A 27 3.623 5.609 3.498 1.00 0.00 C ATOM 420 O VAL A 27 4.678 6.145 3.807 1.00 0.00 O ATOM 421 CB VAL A 27 4.092 3.053 3.511 1.00 0.00 C ATOM 422 CG1 VAL A 27 3.318 2.819 4.818 1.00 0.00 C ATOM 423 CG2 VAL A 27 4.021 1.796 2.626 1.00 0.00 C ATOM 0 H VAL A 27 5.396 4.237 1.639 1.00 0.00 H new ATOM 0 HA VAL A 27 2.528 4.056 2.527 1.00 0.00 H new ATOM 0 HB VAL A 27 5.128 3.257 3.780 1.00 0.00 H new ATOM 0 HG11 VAL A 27 3.722 1.945 5.329 1.00 0.00 H new ATOM 0 HG12 VAL A 27 3.417 3.693 5.461 1.00 0.00 H new ATOM 0 HG13 VAL A 27 2.265 2.652 4.592 1.00 0.00 H new ATOM 0 HG21 VAL A 27 4.389 0.936 3.185 1.00 0.00 H new ATOM 0 HG22 VAL A 27 2.988 1.619 2.327 1.00 0.00 H new ATOM 0 HG23 VAL A 27 4.636 1.941 1.738 1.00 0.00 H new ATOM 433 N LEU A 28 2.405 6.146 3.710 1.00 0.00 N ATOM 434 CA LEU A 28 2.240 7.429 4.390 1.00 0.00 C ATOM 435 C LEU A 28 2.010 7.234 5.900 1.00 0.00 C ATOM 436 O LEU A 28 2.853 7.567 6.724 1.00 0.00 O ATOM 437 CB LEU A 28 1.103 8.207 3.699 1.00 0.00 C ATOM 438 CG LEU A 28 0.833 9.606 4.282 1.00 0.00 C ATOM 439 CD1 LEU A 28 2.037 10.545 4.139 1.00 0.00 C ATOM 440 CD2 LEU A 28 -0.403 10.227 3.618 1.00 0.00 C ATOM 0 H LEU A 28 1.531 5.708 3.419 1.00 0.00 H new ATOM 0 HA LEU A 28 3.153 8.019 4.311 1.00 0.00 H new ATOM 0 HB2 LEU A 28 1.342 8.310 2.641 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.188 7.619 3.763 1.00 0.00 H new ATOM 0 HG LEU A 28 0.650 9.478 5.349 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.793 11.518 4.566 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.893 10.122 4.665 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.283 10.664 3.084 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.584 11.216 4.039 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.234 10.314 2.545 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.270 9.592 3.798 1.00 0.00 H new ATOM 452 N ASN A 29 0.807 6.684 6.188 1.00 0.00 N ATOM 453 CA ASN A 29 0.361 6.418 7.556 1.00 0.00 C ATOM 454 C ASN A 29 -0.071 4.945 7.670 1.00 0.00 C ATOM 455 O ASN A 29 -0.756 4.404 6.808 1.00 0.00 O ATOM 456 CB ASN A 29 -0.796 7.377 7.889 1.00 0.00 C ATOM 457 CG ASN A 29 -1.224 7.272 9.362 1.00 0.00 C ATOM 458 OD1 ASN A 29 -0.615 7.853 10.249 1.00 0.00 O ATOM 459 ND2 ASN A 29 -2.306 6.498 9.559 1.00 0.00 N ATOM 0 H ASN A 29 0.129 6.417 5.475 1.00 0.00 H new ATOM 0 HA ASN A 29 1.167 6.587 8.270 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -0.492 8.401 7.672 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -1.648 7.154 7.247 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -2.672 6.364 10.501 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -2.760 6.045 8.766 1.00 0.00 H new ATOM 466 N GLU A 30 0.374 4.354 8.797 1.00 0.00 N ATOM 467 CA GLU A 30 0.108 2.950 9.101 1.00 0.00 C ATOM 468 C GLU A 30 -0.098 2.779 10.619 1.00 0.00 C ATOM 469 O GLU A 30 0.578 2.007 11.288 1.00 0.00 O ATOM 470 CB GLU A 30 1.306 2.125 8.595 1.00 0.00 C ATOM 471 CG GLU A 30 2.663 2.655 9.113 1.00 0.00 C ATOM 472 CD GLU A 30 3.815 1.725 8.717 1.00 0.00 C ATOM 473 OE1 GLU A 30 3.834 0.583 9.174 1.00 0.00 O ATOM 474 OE2 GLU A 30 4.684 2.157 7.960 1.00 0.00 O ATOM 0 H GLU A 30 0.921 4.837 9.509 1.00 0.00 H new ATOM 0 HA GLU A 30 -0.801 2.604 8.608 1.00 0.00 H new ATOM 0 HB2 GLU A 30 1.184 1.088 8.907 1.00 0.00 H new ATOM 0 HB3 GLU A 30 1.311 2.132 7.505 1.00 0.00 H new ATOM 0 HG2 GLU A 30 2.843 3.652 8.711 1.00 0.00 H new ATOM 0 HG3 GLU A 30 2.628 2.751 10.198 1.00 0.00 H new ATOM 481 N GLU A 31 -1.095 3.543 11.110 1.00 0.00 N ATOM 482 CA GLU A 31 -1.394 3.523 12.541 1.00 0.00 C ATOM 483 C GLU A 31 -2.859 3.908 12.795 1.00 0.00 C ATOM 484 O GLU A 31 -3.183 4.747 13.625 1.00 0.00 O ATOM 485 CB GLU A 31 -0.410 4.413 13.305 1.00 0.00 C ATOM 486 CG GLU A 31 -0.299 5.768 12.620 1.00 0.00 C ATOM 487 CD GLU A 31 0.542 6.763 13.427 1.00 0.00 C ATOM 488 OE1 GLU A 31 1.725 6.499 13.639 1.00 0.00 O ATOM 489 OE2 GLU A 31 0.006 7.792 13.836 1.00 0.00 O ATOM 0 H GLU A 31 -1.685 4.160 10.552 1.00 0.00 H new ATOM 0 HA GLU A 31 -1.266 2.508 12.918 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -0.746 4.542 14.334 1.00 0.00 H new ATOM 0 HB3 GLU A 31 0.569 3.935 13.347 1.00 0.00 H new ATOM 0 HG2 GLU A 31 0.145 5.638 11.633 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -1.297 6.179 12.469 1.00 0.00 H new ATOM 496 N CYS A 32 -3.714 3.223 12.015 1.00 0.00 N ATOM 497 CA CYS A 32 -5.154 3.438 12.117 1.00 0.00 C ATOM 498 C CYS A 32 -5.885 2.101 11.976 1.00 0.00 C ATOM 499 O CYS A 32 -6.717 1.747 12.803 1.00 0.00 O ATOM 500 CB CYS A 32 -5.613 4.458 11.070 1.00 0.00 C ATOM 501 SG CYS A 32 -5.155 4.027 9.372 1.00 0.00 S ATOM 0 H CYS A 32 -3.433 2.530 11.322 1.00 0.00 H new ATOM 0 HA CYS A 32 -5.397 3.850 13.097 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -6.697 4.561 11.128 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -5.187 5.431 11.314 1.00 0.00 H new ATOM 0 HG CYS A 32 -5.587 4.945 8.560 1.00 0.00 H new ATOM 507 N ASP A 33 -5.509 1.370 10.903 1.00 0.00 N ATOM 508 CA ASP A 33 -6.136 0.076 10.645 1.00 0.00 C ATOM 509 C ASP A 33 -5.098 -0.982 10.260 1.00 0.00 C ATOM 510 O ASP A 33 -4.073 -0.748 9.632 1.00 0.00 O ATOM 511 CB ASP A 33 -7.207 0.197 9.548 1.00 0.00 C ATOM 512 CG ASP A 33 -8.393 1.035 10.049 1.00 0.00 C ATOM 513 OD1 ASP A 33 -9.031 0.628 11.020 1.00 0.00 O ATOM 514 OD2 ASP A 33 -8.662 2.088 9.475 1.00 0.00 O ATOM 0 H ASP A 33 -4.798 1.650 10.228 1.00 0.00 H new ATOM 0 HA ASP A 33 -6.617 -0.245 11.569 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -6.776 0.659 8.660 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -7.552 -0.795 9.256 1.00 0.00 H new ATOM 519 N GLN A 34 -5.507 -2.182 10.715 1.00 0.00 N ATOM 520 CA GLN A 34 -4.825 -3.451 10.539 1.00 0.00 C ATOM 521 C GLN A 34 -5.619 -4.274 9.517 1.00 0.00 C ATOM 522 O GLN A 34 -5.836 -5.473 9.637 1.00 0.00 O ATOM 523 CB GLN A 34 -4.817 -4.133 11.904 1.00 0.00 C ATOM 524 CG GLN A 34 -6.224 -4.378 12.500 1.00 0.00 C ATOM 525 CD GLN A 34 -6.144 -4.785 13.971 1.00 0.00 C ATOM 526 OE1 GLN A 34 -6.300 -5.943 14.331 1.00 0.00 O ATOM 527 NE2 GLN A 34 -5.901 -3.755 14.795 1.00 0.00 N ATOM 0 H GLN A 34 -6.373 -2.283 11.244 1.00 0.00 H new ATOM 0 HA GLN A 34 -3.804 -3.337 10.176 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -4.300 -5.089 11.817 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -4.242 -3.522 12.599 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -6.824 -3.473 12.404 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -6.730 -5.158 11.932 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -5.782 -2.816 14.416 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -5.835 -3.911 15.801 1.00 0.00 H new ATOM 536 N ASN A 35 -6.023 -3.487 8.513 1.00 0.00 N ATOM 537 CA ASN A 35 -6.849 -3.898 7.403 1.00 0.00 C ATOM 538 C ASN A 35 -6.653 -2.924 6.218 1.00 0.00 C ATOM 539 O ASN A 35 -6.766 -3.327 5.068 1.00 0.00 O ATOM 540 CB ASN A 35 -8.316 -3.842 7.859 1.00 0.00 C ATOM 541 CG ASN A 35 -8.712 -4.905 8.881 1.00 0.00 C ATOM 542 OD1 ASN A 35 -8.849 -6.100 8.314 1.00 0.00 O flip ATOM 543 ND2 ASN A 35 -8.888 -4.657 10.066 1.00 0.00 N flip ATOM 0 H ASN A 35 -5.763 -2.502 8.463 1.00 0.00 H new ATOM 0 HA ASN A 35 -6.579 -4.905 7.086 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -8.512 -2.858 8.285 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -8.958 -3.943 6.984 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -8.759 -3.706 10.413 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -9.164 -5.401 10.707 1.00 0.00 H new ATOM 550 N TRP A 36 -6.349 -1.639 6.551 1.00 0.00 N ATOM 551 CA TRP A 36 -6.159 -0.588 5.547 1.00 0.00 C ATOM 552 C TRP A 36 -4.925 0.264 5.898 1.00 0.00 C ATOM 553 O TRP A 36 -4.618 0.504 7.057 1.00 0.00 O ATOM 554 CB TRP A 36 -7.410 0.326 5.531 1.00 0.00 C ATOM 555 CG TRP A 36 -8.625 -0.497 5.166 1.00 0.00 C ATOM 556 CD1 TRP A 36 -9.390 -1.269 6.046 1.00 0.00 C ATOM 557 CD2 TRP A 36 -9.157 -0.741 3.850 1.00 0.00 C ATOM 558 NE1 TRP A 36 -10.315 -1.963 5.351 1.00 0.00 N ATOM 559 CE2 TRP A 36 -10.209 -1.671 4.002 1.00 0.00 C ATOM 560 CE3 TRP A 36 -8.840 -0.270 2.606 1.00 0.00 C ATOM 561 CZ2 TRP A 36 -10.899 -2.106 2.910 1.00 0.00 C ATOM 562 CZ3 TRP A 36 -9.547 -0.708 1.489 1.00 0.00 C ATOM 563 CH2 TRP A 36 -10.580 -1.630 1.640 1.00 0.00 C ATOM 0 H TRP A 36 -6.233 -1.319 7.513 1.00 0.00 H new ATOM 0 HA TRP A 36 -6.012 -1.049 4.570 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -7.550 0.788 6.508 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -7.275 1.134 4.813 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -9.260 -1.304 7.118 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -10.992 -2.607 5.759 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -8.038 0.444 2.489 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -11.697 -2.823 3.030 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -9.295 -0.334 0.508 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -11.131 -1.974 0.777 1.00 0.00 H new ATOM 574 N TYR A 37 -4.255 0.695 4.807 1.00 0.00 N ATOM 575 CA TYR A 37 -3.057 1.540 4.858 1.00 0.00 C ATOM 576 C TYR A 37 -3.263 2.716 3.914 1.00 0.00 C ATOM 577 O TYR A 37 -3.877 2.560 2.873 1.00 0.00 O ATOM 578 CB TYR A 37 -1.841 0.824 4.245 1.00 0.00 C ATOM 579 CG TYR A 37 -1.325 -0.331 5.044 1.00 0.00 C ATOM 580 CD1 TYR A 37 -1.173 -0.228 6.416 1.00 0.00 C ATOM 581 CD2 TYR A 37 -0.952 -1.502 4.401 1.00 0.00 C ATOM 582 CE1 TYR A 37 -0.642 -1.273 7.147 1.00 0.00 C ATOM 583 CE2 TYR A 37 -0.414 -2.559 5.111 1.00 0.00 C ATOM 584 CZ TYR A 37 -0.233 -2.446 6.496 1.00 0.00 C ATOM 585 OH TYR A 37 0.336 -3.495 7.207 1.00 0.00 O ATOM 0 H TYR A 37 -4.540 0.459 3.857 1.00 0.00 H new ATOM 0 HA TYR A 37 -2.897 1.807 5.903 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -2.110 0.468 3.250 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -1.036 1.548 4.118 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -1.473 0.679 6.920 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -1.084 -1.589 3.333 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -0.542 -1.187 8.219 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -0.134 -3.469 4.600 1.00 0.00 H new ATOM 0 HH TYR A 37 -0.135 -3.606 8.059 1.00 0.00 H new ATOM 595 N LYS A 38 -2.682 3.872 4.295 1.00 0.00 N ATOM 596 CA LYS A 38 -2.777 5.053 3.442 1.00 0.00 C ATOM 597 C LYS A 38 -1.427 5.160 2.711 1.00 0.00 C ATOM 598 O LYS A 38 -0.391 5.256 3.355 1.00 0.00 O ATOM 599 CB LYS A 38 -3.054 6.287 4.309 1.00 0.00 C ATOM 600 CG LYS A 38 -3.404 7.518 3.479 1.00 0.00 C ATOM 601 CD LYS A 38 -3.917 8.653 4.367 1.00 0.00 C ATOM 602 CE LYS A 38 -4.265 9.879 3.533 1.00 0.00 C ATOM 603 NZ LYS A 38 -4.747 11.013 4.319 1.00 0.00 N ATOM 0 H LYS A 38 -2.160 4.003 5.161 1.00 0.00 H new ATOM 0 HA LYS A 38 -3.591 4.983 2.721 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -3.874 6.069 4.994 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -2.177 6.502 4.920 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -2.524 7.852 2.929 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -4.162 7.259 2.740 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -4.797 8.320 4.917 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -3.159 8.914 5.106 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -3.383 10.187 2.972 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -5.027 9.605 2.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -4.963 11.808 3.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -5.607 10.738 4.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -4.014 11.301 4.998 1.00 0.00 H new ATOM 617 N ALA A 39 -1.482 5.125 1.357 1.00 0.00 N ATOM 618 CA ALA A 39 -0.249 5.177 0.563 1.00 0.00 C ATOM 619 C ALA A 39 -0.377 6.176 -0.593 1.00 0.00 C ATOM 620 O ALA A 39 -1.481 6.597 -0.907 1.00 0.00 O ATOM 621 CB ALA A 39 0.006 3.764 0.017 1.00 0.00 C ATOM 0 H ALA A 39 -2.343 5.063 0.813 1.00 0.00 H new ATOM 0 HA ALA A 39 0.581 5.510 1.186 1.00 0.00 H new ATOM 0 HB1 ALA A 39 0.918 3.764 -0.580 1.00 0.00 H new ATOM 0 HB2 ALA A 39 0.117 3.067 0.848 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -0.835 3.457 -0.605 1.00 0.00 H new ATOM 627 N GLU A 40 0.794 6.525 -1.206 1.00 0.00 N ATOM 628 CA GLU A 40 0.753 7.498 -2.311 1.00 0.00 C ATOM 629 C GLU A 40 0.949 6.802 -3.674 1.00 0.00 C ATOM 630 O GLU A 40 1.816 5.954 -3.858 1.00 0.00 O ATOM 631 CB GLU A 40 1.828 8.583 -2.106 1.00 0.00 C ATOM 632 CG GLU A 40 1.498 9.928 -2.777 1.00 0.00 C ATOM 633 CD GLU A 40 2.647 10.948 -2.611 1.00 0.00 C ATOM 634 OE1 GLU A 40 3.815 10.557 -2.677 1.00 0.00 O ATOM 635 OE2 GLU A 40 2.360 12.129 -2.419 1.00 0.00 O ATOM 0 H GLU A 40 1.718 6.166 -0.965 1.00 0.00 H new ATOM 0 HA GLU A 40 -0.230 7.968 -2.311 1.00 0.00 H new ATOM 0 HB2 GLU A 40 1.965 8.746 -1.037 1.00 0.00 H new ATOM 0 HB3 GLU A 40 2.777 8.217 -2.497 1.00 0.00 H new ATOM 0 HG2 GLU A 40 1.305 9.768 -3.838 1.00 0.00 H new ATOM 0 HG3 GLU A 40 0.584 10.336 -2.344 1.00 0.00 H new ATOM 642 N LEU A 41 0.053 7.253 -4.583 1.00 0.00 N ATOM 643 CA LEU A 41 -0.043 6.851 -5.982 1.00 0.00 C ATOM 644 C LEU A 41 -0.842 7.823 -6.828 1.00 0.00 C ATOM 645 O LEU A 41 -1.896 8.318 -6.452 1.00 0.00 O ATOM 646 CB LEU A 41 -0.923 5.605 -6.163 1.00 0.00 C ATOM 647 CG LEU A 41 -0.226 4.268 -6.092 1.00 0.00 C ATOM 648 CD1 LEU A 41 -1.302 3.216 -5.853 1.00 0.00 C ATOM 649 CD2 LEU A 41 0.449 4.017 -7.446 1.00 0.00 C ATOM 0 H LEU A 41 -0.655 7.944 -4.334 1.00 0.00 H new ATOM 0 HA LEU A 41 1.003 6.744 -6.269 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -1.701 5.624 -5.400 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.422 5.678 -7.129 1.00 0.00 H new ATOM 0 HG LEU A 41 0.521 4.236 -5.299 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -0.841 2.230 -5.795 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -1.819 3.430 -4.918 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.017 3.234 -6.675 1.00 0.00 H new ATOM 0 HD21 LEU A 41 0.962 3.055 -7.424 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.306 4.008 -8.233 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.171 4.809 -7.645 1.00 0.00 H new ATOM 661 N ASN A 42 -0.285 7.948 -8.051 1.00 0.00 N ATOM 662 CA ASN A 42 -0.965 8.663 -9.115 1.00 0.00 C ATOM 663 C ASN A 42 -1.381 10.101 -8.755 1.00 0.00 C ATOM 664 O ASN A 42 -2.481 10.548 -9.053 1.00 0.00 O ATOM 665 CB ASN A 42 -2.138 7.705 -9.454 1.00 0.00 C ATOM 666 CG ASN A 42 -2.323 7.466 -10.948 1.00 0.00 C ATOM 667 OD1 ASN A 42 -2.659 8.346 -11.727 1.00 0.00 O ATOM 668 ND2 ASN A 42 -2.068 6.188 -11.271 1.00 0.00 N ATOM 0 H ASN A 42 0.623 7.563 -8.310 1.00 0.00 H new ATOM 0 HA ASN A 42 -0.325 8.865 -9.974 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -1.968 6.748 -8.960 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -3.061 8.116 -9.044 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -2.150 5.881 -12.240 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -1.793 5.524 -10.547 1.00 0.00 H new ATOM 675 N GLY A 43 -0.429 10.775 -8.072 1.00 0.00 N ATOM 676 CA GLY A 43 -0.633 12.154 -7.635 1.00 0.00 C ATOM 677 C GLY A 43 -1.693 12.319 -6.534 1.00 0.00 C ATOM 678 O GLY A 43 -2.151 13.424 -6.271 1.00 0.00 O ATOM 0 H GLY A 43 0.477 10.381 -7.818 1.00 0.00 H new ATOM 0 HA2 GLY A 43 0.315 12.552 -7.273 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -0.923 12.756 -8.496 1.00 0.00 H new ATOM 682 N LYS A 44 -2.071 11.174 -5.918 1.00 0.00 N ATOM 683 CA LYS A 44 -3.068 11.147 -4.865 1.00 0.00 C ATOM 684 C LYS A 44 -2.557 10.252 -3.724 1.00 0.00 C ATOM 685 O LYS A 44 -1.492 9.654 -3.798 1.00 0.00 O ATOM 686 CB LYS A 44 -4.355 10.578 -5.485 1.00 0.00 C ATOM 687 CG LYS A 44 -4.953 11.504 -6.556 1.00 0.00 C ATOM 688 CD LYS A 44 -6.298 11.016 -7.118 1.00 0.00 C ATOM 689 CE LYS A 44 -6.167 9.898 -8.163 1.00 0.00 C ATOM 690 NZ LYS A 44 -5.802 8.606 -7.586 1.00 0.00 N ATOM 0 H LYS A 44 -1.686 10.258 -6.148 1.00 0.00 H new ATOM 0 HA LYS A 44 -3.262 12.138 -4.454 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -4.141 9.606 -5.929 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -5.092 10.415 -4.698 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -5.087 12.498 -6.129 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -4.242 11.603 -7.376 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -6.917 10.660 -6.295 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -6.821 11.860 -7.567 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -7.112 9.796 -8.696 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -5.416 10.184 -8.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -6.298 7.846 -8.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -4.775 8.466 -7.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -6.073 8.585 -6.582 1.00 0.00 H new ATOM 704 N ASP A 45 -3.410 10.200 -2.687 1.00 0.00 N ATOM 705 CA ASP A 45 -3.160 9.403 -1.487 1.00 0.00 C ATOM 706 C ASP A 45 -4.511 8.808 -1.040 1.00 0.00 C ATOM 707 O ASP A 45 -5.543 9.469 -1.087 1.00 0.00 O ATOM 708 CB ASP A 45 -2.510 10.260 -0.385 1.00 0.00 C ATOM 709 CG ASP A 45 -3.382 11.464 0.034 1.00 0.00 C ATOM 710 OD1 ASP A 45 -4.245 11.302 0.898 1.00 0.00 O ATOM 711 OD2 ASP A 45 -3.186 12.550 -0.507 1.00 0.00 O ATOM 0 H ASP A 45 -4.292 10.712 -2.663 1.00 0.00 H new ATOM 0 HA ASP A 45 -2.456 8.597 -1.695 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -2.318 9.636 0.488 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -1.544 10.622 -0.736 1.00 0.00 H new ATOM 716 N GLY A 46 -4.457 7.522 -0.641 1.00 0.00 N ATOM 717 CA GLY A 46 -5.700 6.875 -0.236 1.00 0.00 C ATOM 718 C GLY A 46 -5.453 5.514 0.394 1.00 0.00 C ATOM 719 O GLY A 46 -4.346 4.990 0.403 1.00 0.00 O ATOM 0 H GLY A 46 -3.616 6.947 -0.594 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -6.227 7.513 0.474 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -6.349 6.760 -1.104 1.00 0.00 H new ATOM 723 N PHE A 47 -6.579 4.974 0.896 1.00 0.00 N ATOM 724 CA PHE A 47 -6.554 3.683 1.563 1.00 0.00 C ATOM 725 C PHE A 47 -6.531 2.519 0.559 1.00 0.00 C ATOM 726 O PHE A 47 -7.161 2.543 -0.492 1.00 0.00 O ATOM 727 CB PHE A 47 -7.751 3.605 2.509 1.00 0.00 C ATOM 728 CG PHE A 47 -7.573 4.592 3.628 1.00 0.00 C ATOM 729 CD1 PHE A 47 -6.741 4.293 4.702 1.00 0.00 C ATOM 730 CD2 PHE A 47 -8.209 5.827 3.586 1.00 0.00 C ATOM 731 CE1 PHE A 47 -6.537 5.221 5.715 1.00 0.00 C ATOM 732 CE2 PHE A 47 -8.003 6.758 4.592 1.00 0.00 C ATOM 733 CZ PHE A 47 -7.168 6.456 5.661 1.00 0.00 C ATOM 0 H PHE A 47 -7.499 5.413 0.848 1.00 0.00 H new ATOM 0 HA PHE A 47 -5.634 3.589 2.140 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -8.672 3.818 1.966 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -7.844 2.596 2.911 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -6.250 3.332 4.748 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -8.868 6.063 2.764 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -5.888 4.982 6.544 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -8.492 7.720 4.545 1.00 0.00 H new ATOM 0 HZ PHE A 47 -7.011 7.180 6.447 1.00 0.00 H new ATOM 743 N ILE A 48 -5.738 1.511 0.979 1.00 0.00 N ATOM 744 CA ILE A 48 -5.529 0.285 0.222 1.00 0.00 C ATOM 745 C ILE A 48 -5.567 -0.880 1.234 1.00 0.00 C ATOM 746 O ILE A 48 -5.012 -0.761 2.319 1.00 0.00 O ATOM 747 CB ILE A 48 -4.192 0.354 -0.551 1.00 0.00 C ATOM 748 CG1 ILE A 48 -2.942 0.438 0.357 1.00 0.00 C ATOM 749 CG2 ILE A 48 -4.206 1.514 -1.560 1.00 0.00 C ATOM 750 CD1 ILE A 48 -1.617 0.393 -0.415 1.00 0.00 C ATOM 0 H ILE A 48 -5.226 1.537 1.861 1.00 0.00 H new ATOM 0 HA ILE A 48 -6.304 0.138 -0.530 1.00 0.00 H new ATOM 0 HB ILE A 48 -4.110 -0.593 -1.085 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -2.985 1.361 0.935 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -2.965 -0.386 1.070 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -3.256 1.544 -2.093 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -5.017 1.366 -2.273 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -4.355 2.455 -1.031 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -0.785 0.456 0.286 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -1.552 -0.542 -0.972 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -1.571 1.232 -1.109 1.00 0.00 H new ATOM 762 N PRO A 49 -6.247 -2.009 0.876 1.00 0.00 N ATOM 763 CA PRO A 49 -6.330 -3.156 1.776 1.00 0.00 C ATOM 764 C PRO A 49 -4.967 -3.835 1.961 1.00 0.00 C ATOM 765 O PRO A 49 -4.249 -4.040 0.992 1.00 0.00 O ATOM 766 CB PRO A 49 -7.312 -4.129 1.116 1.00 0.00 C ATOM 767 CG PRO A 49 -7.740 -3.511 -0.218 1.00 0.00 C ATOM 768 CD PRO A 49 -6.944 -2.217 -0.393 1.00 0.00 C ATOM 0 HA PRO A 49 -6.656 -2.843 2.768 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -6.842 -5.100 0.956 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -8.177 -4.295 1.757 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -7.543 -4.198 -1.041 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -8.811 -3.307 -0.222 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -6.238 -2.300 -1.219 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -7.603 -1.379 -0.620 1.00 0.00 H new ATOM 776 N LYS A 50 -4.657 -4.209 3.226 1.00 0.00 N ATOM 777 CA LYS A 50 -3.351 -4.843 3.411 1.00 0.00 C ATOM 778 C LYS A 50 -3.270 -6.276 2.829 1.00 0.00 C ATOM 779 O LYS A 50 -2.171 -6.758 2.595 1.00 0.00 O ATOM 780 CB LYS A 50 -2.935 -4.816 4.876 1.00 0.00 C ATOM 781 CG LYS A 50 -3.969 -5.482 5.761 1.00 0.00 C ATOM 782 CD LYS A 50 -3.427 -5.868 7.142 1.00 0.00 C ATOM 783 CE LYS A 50 -2.715 -4.706 7.835 1.00 0.00 C ATOM 784 NZ LYS A 50 -2.143 -5.081 9.122 1.00 0.00 N ATOM 0 H LYS A 50 -5.238 -4.094 4.056 1.00 0.00 H new ATOM 0 HA LYS A 50 -2.641 -4.249 2.835 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -1.976 -5.321 4.992 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -2.792 -3.784 5.195 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -4.817 -4.809 5.886 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -4.342 -6.376 5.262 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -4.250 -6.212 7.769 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -2.735 -6.704 7.037 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -1.923 -4.332 7.186 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -3.421 -3.888 7.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -1.673 -4.256 9.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -2.899 -5.413 9.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -1.448 -5.842 8.984 1.00 0.00 H new ATOM 798 N ASN A 51 -4.440 -6.927 2.589 1.00 0.00 N ATOM 799 CA ASN A 51 -4.393 -8.277 2.003 1.00 0.00 C ATOM 800 C ASN A 51 -4.196 -8.225 0.473 1.00 0.00 C ATOM 801 O ASN A 51 -3.838 -9.222 -0.139 1.00 0.00 O ATOM 802 CB ASN A 51 -5.493 -9.238 2.490 1.00 0.00 C ATOM 803 CG ASN A 51 -6.918 -8.685 2.510 1.00 0.00 C ATOM 804 OD1 ASN A 51 -7.490 -8.472 3.567 1.00 0.00 O ATOM 805 ND2 ASN A 51 -7.469 -8.488 1.309 1.00 0.00 N ATOM 0 H ASN A 51 -5.372 -6.559 2.781 1.00 0.00 H new ATOM 0 HA ASN A 51 -3.497 -8.750 2.404 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -5.479 -10.124 1.855 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -5.239 -9.565 3.498 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -8.425 -8.139 1.237 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -6.934 -8.687 0.464 1.00 0.00 H new ATOM 812 N TYR A 52 -4.369 -7.008 -0.098 1.00 0.00 N ATOM 813 CA TYR A 52 -4.127 -6.843 -1.531 1.00 0.00 C ATOM 814 C TYR A 52 -2.680 -6.380 -1.830 1.00 0.00 C ATOM 815 O TYR A 52 -2.362 -6.098 -2.979 1.00 0.00 O ATOM 816 CB TYR A 52 -5.105 -5.802 -2.100 1.00 0.00 C ATOM 817 CG TYR A 52 -6.382 -6.429 -2.578 1.00 0.00 C ATOM 818 CD1 TYR A 52 -7.320 -6.932 -1.695 1.00 0.00 C ATOM 819 CD2 TYR A 52 -6.621 -6.536 -3.943 1.00 0.00 C ATOM 820 CE1 TYR A 52 -8.463 -7.564 -2.160 1.00 0.00 C ATOM 821 CE2 TYR A 52 -7.755 -7.165 -4.424 1.00 0.00 C ATOM 822 CZ TYR A 52 -8.699 -7.695 -3.535 1.00 0.00 C ATOM 823 OH TYR A 52 -9.837 -8.374 -3.981 1.00 0.00 O ATOM 0 H TYR A 52 -4.663 -6.166 0.396 1.00 0.00 H new ATOM 0 HA TYR A 52 -4.277 -7.815 -2.000 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -5.330 -5.060 -1.334 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -4.630 -5.273 -2.926 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -7.160 -6.831 -0.632 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -5.909 -6.121 -4.640 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -9.179 -7.960 -1.455 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -7.913 -7.248 -5.489 1.00 0.00 H new ATOM 0 HH TYR A 52 -10.091 -9.054 -3.323 1.00 0.00 H new ATOM 833 N ILE A 53 -1.842 -6.290 -0.770 1.00 0.00 N ATOM 834 CA ILE A 53 -0.426 -5.897 -0.901 1.00 0.00 C ATOM 835 C ILE A 53 0.501 -6.823 -0.061 1.00 0.00 C ATOM 836 O ILE A 53 0.072 -7.582 0.799 1.00 0.00 O ATOM 837 CB ILE A 53 -0.226 -4.368 -0.661 1.00 0.00 C ATOM 838 CG1 ILE A 53 0.986 -3.981 0.214 1.00 0.00 C ATOM 839 CG2 ILE A 53 -1.483 -3.683 -0.118 1.00 0.00 C ATOM 840 CD1 ILE A 53 1.062 -2.497 0.489 1.00 0.00 C ATOM 0 H ILE A 53 -2.128 -6.486 0.189 1.00 0.00 H new ATOM 0 HA ILE A 53 -0.114 -6.053 -1.934 1.00 0.00 H new ATOM 0 HB ILE A 53 -0.011 -4.000 -1.664 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.931 -4.519 1.161 1.00 0.00 H new ATOM 0 HG13 ILE A 53 1.903 -4.301 -0.281 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -1.284 -2.621 0.029 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -2.300 -3.804 -0.830 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.762 -4.135 0.834 1.00 0.00 H new ATOM 0 HD11 ILE A 53 1.934 -2.286 1.108 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.147 -1.956 -0.454 1.00 0.00 H new ATOM 0 HD13 ILE A 53 0.160 -2.177 1.011 1.00 0.00 H new ATOM 852 N GLU A 54 1.799 -6.671 -0.409 1.00 0.00 N ATOM 853 CA GLU A 54 2.973 -7.311 0.169 1.00 0.00 C ATOM 854 C GLU A 54 3.907 -6.173 0.627 1.00 0.00 C ATOM 855 O GLU A 54 4.491 -5.461 -0.183 1.00 0.00 O ATOM 856 CB GLU A 54 3.702 -8.137 -0.896 1.00 0.00 C ATOM 857 CG GLU A 54 4.859 -8.946 -0.292 1.00 0.00 C ATOM 858 CD GLU A 54 4.352 -10.200 0.435 1.00 0.00 C ATOM 859 OE1 GLU A 54 3.951 -11.147 -0.242 1.00 0.00 O ATOM 860 OE2 GLU A 54 4.372 -10.219 1.664 1.00 0.00 O ATOM 0 H GLU A 54 2.060 -6.041 -1.167 1.00 0.00 H new ATOM 0 HA GLU A 54 2.689 -7.970 0.989 1.00 0.00 H new ATOM 0 HB2 GLU A 54 2.997 -8.814 -1.378 1.00 0.00 H new ATOM 0 HB3 GLU A 54 4.087 -7.474 -1.671 1.00 0.00 H new ATOM 0 HG2 GLU A 54 5.551 -9.237 -1.082 1.00 0.00 H new ATOM 0 HG3 GLU A 54 5.416 -8.320 0.405 1.00 0.00 H new ATOM 867 N MET A 55 3.994 -6.025 1.963 1.00 0.00 N ATOM 868 CA MET A 55 4.830 -4.977 2.541 1.00 0.00 C ATOM 869 C MET A 55 6.255 -5.486 2.817 1.00 0.00 C ATOM 870 O MET A 55 6.553 -6.674 2.778 1.00 0.00 O ATOM 871 CB MET A 55 4.180 -4.405 3.812 1.00 0.00 C ATOM 872 CG MET A 55 2.722 -3.985 3.586 1.00 0.00 C ATOM 873 SD MET A 55 1.563 -5.363 3.385 1.00 0.00 S ATOM 874 CE MET A 55 1.659 -6.184 4.986 1.00 0.00 C ATOM 0 H MET A 55 3.504 -6.608 2.642 1.00 0.00 H new ATOM 0 HA MET A 55 4.912 -4.170 1.813 1.00 0.00 H new ATOM 0 HB2 MET A 55 4.221 -5.152 4.605 1.00 0.00 H new ATOM 0 HB3 MET A 55 4.754 -3.544 4.154 1.00 0.00 H new ATOM 0 HG2 MET A 55 2.398 -3.375 4.430 1.00 0.00 H new ATOM 0 HG3 MET A 55 2.673 -3.354 2.699 1.00 0.00 H new ATOM 0 HE1 MET A 55 0.809 -6.857 5.101 1.00 0.00 H new ATOM 0 HE2 MET A 55 2.585 -6.755 5.047 1.00 0.00 H new ATOM 0 HE3 MET A 55 1.640 -5.437 5.780 1.00 0.00 H new ATOM 884 N LYS A 56 7.085 -4.470 3.131 1.00 0.00 N ATOM 885 CA LYS A 56 8.496 -4.627 3.467 1.00 0.00 C ATOM 886 C LYS A 56 8.873 -3.410 4.347 1.00 0.00 C ATOM 887 O LYS A 56 9.269 -2.365 3.836 1.00 0.00 O ATOM 888 CB LYS A 56 9.375 -4.648 2.202 1.00 0.00 C ATOM 889 CG LYS A 56 9.115 -5.814 1.237 1.00 0.00 C ATOM 890 CD LYS A 56 9.497 -7.182 1.824 1.00 0.00 C ATOM 891 CE LYS A 56 9.049 -8.344 0.938 1.00 0.00 C ATOM 892 NZ LYS A 56 9.647 -8.298 -0.393 1.00 0.00 N ATOM 0 H LYS A 56 6.775 -3.498 3.156 1.00 0.00 H new ATOM 0 HA LYS A 56 8.660 -5.572 3.986 1.00 0.00 H new ATOM 0 HB2 LYS A 56 9.227 -3.713 1.662 1.00 0.00 H new ATOM 0 HB3 LYS A 56 10.421 -4.678 2.508 1.00 0.00 H new ATOM 0 HG2 LYS A 56 8.059 -5.824 0.966 1.00 0.00 H new ATOM 0 HG3 LYS A 56 9.679 -5.650 0.319 1.00 0.00 H new ATOM 0 HD2 LYS A 56 10.578 -7.227 1.958 1.00 0.00 H new ATOM 0 HD3 LYS A 56 9.048 -7.288 2.812 1.00 0.00 H new ATOM 0 HE2 LYS A 56 9.314 -9.286 1.419 1.00 0.00 H new ATOM 0 HE3 LYS A 56 7.963 -8.328 0.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 9.365 -9.143 -0.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 9.320 -7.446 -0.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 10.683 -8.273 -0.307 1.00 0.00 H new ATOM 906 N PRO A 57 8.717 -3.574 5.697 1.00 0.00 N ATOM 907 CA PRO A 57 9.019 -2.497 6.647 1.00 0.00 C ATOM 908 C PRO A 57 10.536 -2.343 6.904 1.00 0.00 C ATOM 909 O PRO A 57 11.358 -2.657 6.051 1.00 0.00 O ATOM 910 CB PRO A 57 8.184 -2.912 7.871 1.00 0.00 C ATOM 911 CG PRO A 57 8.152 -4.438 7.832 1.00 0.00 C ATOM 912 CD PRO A 57 8.181 -4.778 6.342 1.00 0.00 C ATOM 0 HA PRO A 57 8.762 -1.497 6.299 1.00 0.00 H new ATOM 0 HB2 PRO A 57 8.634 -2.551 8.796 1.00 0.00 H new ATOM 0 HB3 PRO A 57 7.178 -2.495 7.822 1.00 0.00 H new ATOM 0 HG2 PRO A 57 9.007 -4.867 8.355 1.00 0.00 H new ATOM 0 HG3 PRO A 57 7.255 -4.830 8.312 1.00 0.00 H new ATOM 0 HD2 PRO A 57 8.810 -5.646 6.146 1.00 0.00 H new ATOM 0 HD3 PRO A 57 7.184 -5.016 5.970 1.00 0.00 H new TER 920 PRO A 57 HETATM 921 C ACE B 0 -8.330 -14.001 -10.119 1.00 0.00 C HETATM 922 O ACE B 0 -9.093 -13.177 -10.607 1.00 0.00 O HETATM 923 CH3 ACE B 0 -7.079 -14.477 -10.851 1.00 0.00 C HETATM 0 H1 ACE B 0 -6.197 -14.241 -10.255 1.00 0.00 H new HETATM 0 H2 ACE B 0 -7.136 -15.555 -11.005 1.00 0.00 H new HETATM 0 H3 ACE B 0 -7.009 -13.976 -11.816 1.00 0.00 H new ATOM 927 N VAL B 1 -8.456 -14.559 -8.897 1.00 0.00 N ATOM 928 CA VAL B 1 -9.511 -14.181 -7.961 1.00 0.00 C ATOM 929 C VAL B 1 -8.839 -13.765 -6.632 1.00 0.00 C ATOM 930 O VAL B 1 -8.662 -14.584 -5.736 1.00 0.00 O ATOM 931 CB VAL B 1 -10.475 -15.369 -7.761 1.00 0.00 C ATOM 932 CG1 VAL B 1 -11.624 -15.028 -6.801 1.00 0.00 C ATOM 933 CG2 VAL B 1 -11.047 -15.849 -9.104 1.00 0.00 C ATOM 0 H VAL B 1 -7.828 -15.280 -8.542 1.00 0.00 H new ATOM 0 HA VAL B 1 -10.097 -13.345 -8.344 1.00 0.00 H new ATOM 0 HB VAL B 1 -9.889 -16.172 -7.314 1.00 0.00 H new ATOM 0 HG11 VAL B 1 -12.276 -15.895 -6.692 1.00 0.00 H new ATOM 0 HG12 VAL B 1 -11.216 -14.756 -5.828 1.00 0.00 H new ATOM 0 HG13 VAL B 1 -12.197 -14.191 -7.201 1.00 0.00 H new ATOM 0 HG21 VAL B 1 -11.723 -16.687 -8.933 1.00 0.00 H new ATOM 0 HG22 VAL B 1 -11.593 -15.034 -9.579 1.00 0.00 H new ATOM 0 HG23 VAL B 1 -10.232 -16.167 -9.754 1.00 0.00 H new ATOM 943 N PRO B 2 -8.454 -12.459 -6.529 1.00 0.00 N ATOM 944 CA PRO B 2 -7.808 -11.949 -5.319 1.00 0.00 C ATOM 945 C PRO B 2 -8.686 -12.061 -4.037 1.00 0.00 C ATOM 946 O PRO B 2 -9.895 -12.242 -4.109 1.00 0.00 O ATOM 947 CB PRO B 2 -7.541 -10.473 -5.644 1.00 0.00 C ATOM 948 CG PRO B 2 -7.673 -10.304 -7.149 1.00 0.00 C ATOM 949 CD PRO B 2 -8.577 -11.449 -7.587 1.00 0.00 C ATOM 0 HA PRO B 2 -6.916 -12.530 -5.087 1.00 0.00 H new ATOM 0 HB2 PRO B 2 -8.251 -9.831 -5.123 1.00 0.00 H new ATOM 0 HB3 PRO B 2 -6.545 -10.182 -5.312 1.00 0.00 H new ATOM 0 HG2 PRO B 2 -8.107 -9.337 -7.403 1.00 0.00 H new ATOM 0 HG3 PRO B 2 -6.701 -10.356 -7.640 1.00 0.00 H new ATOM 0 HD2 PRO B 2 -9.609 -11.117 -7.697 1.00 0.00 H new ATOM 0 HD3 PRO B 2 -8.267 -11.849 -8.552 1.00 0.00 H new ATOM 957 N PRO B 3 -8.000 -11.944 -2.863 1.00 0.00 N ATOM 958 CA PRO B 3 -8.603 -11.989 -1.528 1.00 0.00 C ATOM 959 C PRO B 3 -9.893 -11.175 -1.284 1.00 0.00 C ATOM 960 O PRO B 3 -10.177 -10.205 -1.972 1.00 0.00 O ATOM 961 CB PRO B 3 -7.518 -11.313 -0.666 1.00 0.00 C ATOM 962 CG PRO B 3 -6.192 -11.678 -1.328 1.00 0.00 C ATOM 963 CD PRO B 3 -6.538 -11.863 -2.803 1.00 0.00 C ATOM 0 HA PRO B 3 -8.893 -13.020 -1.327 1.00 0.00 H new ATOM 0 HB2 PRO B 3 -7.657 -10.232 -0.634 1.00 0.00 H new ATOM 0 HB3 PRO B 3 -7.555 -11.669 0.363 1.00 0.00 H new ATOM 0 HG2 PRO B 3 -5.450 -10.891 -1.190 1.00 0.00 H new ATOM 0 HG3 PRO B 3 -5.773 -12.589 -0.901 1.00 0.00 H new ATOM 0 HD2 PRO B 3 -6.168 -11.029 -3.399 1.00 0.00 H new ATOM 0 HD3 PRO B 3 -6.080 -12.768 -3.202 1.00 0.00 H new ATOM 971 N PRO B 4 -10.660 -11.598 -0.236 1.00 0.00 N ATOM 972 CA PRO B 4 -11.856 -10.871 0.186 1.00 0.00 C ATOM 973 C PRO B 4 -11.356 -9.676 0.998 1.00 0.00 C ATOM 974 O PRO B 4 -10.650 -9.797 1.992 1.00 0.00 O ATOM 975 CB PRO B 4 -12.602 -11.868 1.079 1.00 0.00 C ATOM 976 CG PRO B 4 -11.504 -12.786 1.635 1.00 0.00 C ATOM 977 CD PRO B 4 -10.417 -12.803 0.557 1.00 0.00 C ATOM 0 HA PRO B 4 -12.498 -10.514 -0.619 1.00 0.00 H new ATOM 0 HB2 PRO B 4 -13.137 -11.359 1.881 1.00 0.00 H new ATOM 0 HB3 PRO B 4 -13.341 -12.433 0.511 1.00 0.00 H new ATOM 0 HG2 PRO B 4 -11.116 -12.408 2.581 1.00 0.00 H new ATOM 0 HG3 PRO B 4 -11.887 -13.789 1.825 1.00 0.00 H new ATOM 0 HD2 PRO B 4 -9.421 -12.792 0.999 1.00 0.00 H new ATOM 0 HD3 PRO B 4 -10.483 -13.701 -0.057 1.00 0.00 H new ATOM 985 N VAL B 5 -11.750 -8.517 0.464 1.00 0.00 N ATOM 986 CA VAL B 5 -11.340 -7.254 1.039 1.00 0.00 C ATOM 987 C VAL B 5 -11.944 -7.070 2.450 1.00 0.00 C ATOM 988 O VAL B 5 -13.102 -7.406 2.668 1.00 0.00 O ATOM 989 CB VAL B 5 -11.731 -6.109 0.124 1.00 0.00 C ATOM 990 CG1 VAL B 5 -10.880 -4.864 0.390 1.00 0.00 C ATOM 991 CG2 VAL B 5 -11.631 -6.399 -1.361 1.00 0.00 C ATOM 0 H VAL B 5 -12.347 -8.437 -0.359 1.00 0.00 H new ATOM 0 HA VAL B 5 -10.255 -7.255 1.141 1.00 0.00 H new ATOM 0 HB VAL B 5 -12.782 -5.950 0.366 1.00 0.00 H new ATOM 0 HG11 VAL B 5 -11.187 -4.063 -0.283 1.00 0.00 H new ATOM 0 HG12 VAL B 5 -11.018 -4.543 1.423 1.00 0.00 H new ATOM 0 HG13 VAL B 5 -9.829 -5.098 0.220 1.00 0.00 H new ATOM 0 HG21 VAL B 5 -11.932 -5.516 -1.925 1.00 0.00 H new ATOM 0 HG22 VAL B 5 -10.602 -6.657 -1.613 1.00 0.00 H new ATOM 0 HG23 VAL B 5 -12.286 -7.233 -1.614 1.00 0.00 H new ATOM 1001 N PRO B 6 -11.131 -6.533 3.402 1.00 0.00 N ATOM 1002 CA PRO B 6 -11.623 -6.284 4.755 1.00 0.00 C ATOM 1003 C PRO B 6 -12.795 -5.289 4.779 1.00 0.00 C ATOM 1004 O PRO B 6 -12.995 -4.529 3.844 1.00 0.00 O ATOM 1005 CB PRO B 6 -10.434 -5.619 5.467 1.00 0.00 C ATOM 1006 CG PRO B 6 -9.195 -5.926 4.633 1.00 0.00 C ATOM 1007 CD PRO B 6 -9.723 -6.173 3.221 1.00 0.00 C ATOM 0 HA PRO B 6 -11.977 -7.209 5.210 1.00 0.00 H new ATOM 0 HB2 PRO B 6 -10.586 -4.543 5.552 1.00 0.00 H new ATOM 0 HB3 PRO B 6 -10.324 -6.006 6.480 1.00 0.00 H new ATOM 0 HG2 PRO B 6 -8.490 -5.095 4.651 1.00 0.00 H new ATOM 0 HG3 PRO B 6 -8.667 -6.800 5.016 1.00 0.00 H new ATOM 0 HD2 PRO B 6 -9.620 -5.284 2.599 1.00 0.00 H new ATOM 0 HD3 PRO B 6 -9.171 -6.973 2.727 1.00 0.00 H new ATOM 1015 N PRO B 7 -13.572 -5.318 5.887 1.00 0.00 N ATOM 1016 CA PRO B 7 -14.667 -4.370 6.040 1.00 0.00 C ATOM 1017 C PRO B 7 -14.059 -3.007 6.427 1.00 0.00 C ATOM 1018 O PRO B 7 -13.536 -2.832 7.523 1.00 0.00 O ATOM 1019 CB PRO B 7 -15.477 -4.954 7.199 1.00 0.00 C ATOM 1020 CG PRO B 7 -14.465 -5.770 8.018 1.00 0.00 C ATOM 1021 CD PRO B 7 -13.461 -6.280 6.979 1.00 0.00 C ATOM 0 HA PRO B 7 -15.276 -4.223 5.148 1.00 0.00 H new ATOM 0 HB2 PRO B 7 -15.929 -4.166 7.802 1.00 0.00 H new ATOM 0 HB3 PRO B 7 -16.290 -5.583 6.835 1.00 0.00 H new ATOM 0 HG2 PRO B 7 -13.977 -5.155 8.774 1.00 0.00 H new ATOM 0 HG3 PRO B 7 -14.949 -6.594 8.541 1.00 0.00 H new ATOM 0 HD2 PRO B 7 -12.449 -6.312 7.383 1.00 0.00 H new ATOM 0 HD3 PRO B 7 -13.705 -7.290 6.649 1.00 0.00 H new ATOM 1029 N ARG B 8 -14.152 -2.068 5.461 1.00 0.00 N ATOM 1030 CA ARG B 8 -13.608 -0.725 5.680 1.00 0.00 C ATOM 1031 C ARG B 8 -14.414 -0.048 6.802 1.00 0.00 C ATOM 1032 O ARG B 8 -15.617 -0.243 6.941 1.00 0.00 O ATOM 1033 CB ARG B 8 -13.539 0.041 4.346 1.00 0.00 C ATOM 1034 CG ARG B 8 -12.734 1.350 4.397 1.00 0.00 C ATOM 1035 CD ARG B 8 -13.613 2.594 4.533 1.00 0.00 C ATOM 1036 NE ARG B 8 -12.769 3.783 4.572 1.00 0.00 N ATOM 1037 CZ ARG B 8 -13.215 4.977 5.013 1.00 0.00 C ATOM 1038 NH1 ARG B 8 -14.477 5.146 5.385 1.00 0.00 N ATOM 1039 NH2 ARG B 8 -12.386 6.008 5.070 1.00 0.00 N ATOM 0 H ARG B 8 -14.587 -2.215 4.550 1.00 0.00 H new ATOM 0 HA ARG B 8 -12.575 -0.751 6.028 1.00 0.00 H new ATOM 0 HB2 ARG B 8 -13.099 -0.611 3.591 1.00 0.00 H new ATOM 0 HB3 ARG B 8 -14.554 0.267 4.020 1.00 0.00 H new ATOM 0 HG2 ARG B 8 -12.040 1.310 5.237 1.00 0.00 H new ATOM 0 HG3 ARG B 8 -12.133 1.435 3.491 1.00 0.00 H new ATOM 0 HD2 ARG B 8 -14.308 2.655 3.695 1.00 0.00 H new ATOM 0 HD3 ARG B 8 -14.213 2.531 5.441 1.00 0.00 H new ATOM 0 HE ARG B 8 -11.803 3.708 4.253 1.00 0.00 H new ATOM 0 HH11 ARG B 8 -15.131 4.364 5.341 1.00 0.00 H new ATOM 0 HH12 ARG B 8 -14.794 6.058 5.716 1.00 0.00 H new ATOM 0 HH21 ARG B 8 -11.414 5.897 4.781 1.00 0.00 H new ATOM 0 HH22 ARG B 8 -12.719 6.913 5.403 1.00 0.00 H new ATOM 1053 N ARG B 9 -13.655 0.713 7.615 1.00 0.00 N ATOM 1054 CA ARG B 9 -14.191 1.396 8.787 1.00 0.00 C ATOM 1055 C ARG B 9 -14.496 0.379 9.912 1.00 0.00 C ATOM 1056 O ARG B 9 -15.396 0.542 10.727 1.00 0.00 O ATOM 1057 CB ARG B 9 -15.358 2.332 8.411 1.00 0.00 C ATOM 1058 CG ARG B 9 -15.196 3.756 8.956 1.00 0.00 C ATOM 1059 CD ARG B 9 -15.584 3.906 10.433 1.00 0.00 C ATOM 1060 NE ARG B 9 -14.589 3.278 11.298 1.00 0.00 N ATOM 1061 CZ ARG B 9 -14.864 2.847 12.546 1.00 0.00 C ATOM 1062 NH1 ARG B 9 -16.061 3.014 13.090 1.00 0.00 N ATOM 1063 NH2 ARG B 9 -13.916 2.232 13.237 1.00 0.00 N ATOM 0 H ARG B 9 -12.657 0.865 7.470 1.00 0.00 H new ATOM 0 HA ARG B 9 -13.436 2.065 9.199 1.00 0.00 H new ATOM 0 HB2 ARG B 9 -15.445 2.374 7.325 1.00 0.00 H new ATOM 0 HB3 ARG B 9 -16.289 1.910 8.789 1.00 0.00 H new ATOM 0 HG2 ARG B 9 -14.159 4.067 8.830 1.00 0.00 H new ATOM 0 HG3 ARG B 9 -15.807 4.434 8.360 1.00 0.00 H new ATOM 0 HD2 ARG B 9 -15.675 4.963 10.684 1.00 0.00 H new ATOM 0 HD3 ARG B 9 -16.560 3.452 10.605 1.00 0.00 H new ATOM 0 HE ARG B 9 -13.641 3.160 10.941 1.00 0.00 H new ATOM 0 HH11 ARG B 9 -16.801 3.478 12.563 1.00 0.00 H new ATOM 0 HH12 ARG B 9 -16.243 2.678 14.036 1.00 0.00 H new ATOM 0 HH21 ARG B 9 -12.994 2.090 12.824 1.00 0.00 H new ATOM 0 HH22 ARG B 9 -14.108 1.900 14.182 1.00 0.00 H new ATOM 1077 N ARG B 10 -13.664 -0.682 9.875 1.00 0.00 N ATOM 1078 CA ARG B 10 -13.667 -1.801 10.814 1.00 0.00 C ATOM 1079 C ARG B 10 -15.082 -2.330 11.078 1.00 0.00 C ATOM 1080 O ARG B 10 -15.668 -2.208 12.146 1.00 0.00 O ATOM 1081 CB ARG B 10 -12.914 -1.396 12.085 1.00 0.00 C ATOM 1082 CG ARG B 10 -11.465 -1.018 11.752 1.00 0.00 C ATOM 1083 CD ARG B 10 -10.527 -2.221 11.583 1.00 0.00 C ATOM 1084 NE ARG B 10 -10.282 -2.860 12.870 1.00 0.00 N ATOM 1085 CZ ARG B 10 -9.403 -2.369 13.767 1.00 0.00 C ATOM 1086 NH1 ARG B 10 -8.719 -1.259 13.512 1.00 0.00 N ATOM 1087 NH2 ARG B 10 -9.230 -3.002 14.922 1.00 0.00 N ATOM 0 H ARG B 10 -12.946 -0.778 9.157 1.00 0.00 H new ATOM 0 HA ARG B 10 -13.138 -2.645 10.372 1.00 0.00 H new ATOM 0 HB2 ARG B 10 -13.416 -0.553 12.560 1.00 0.00 H new ATOM 0 HB3 ARG B 10 -12.927 -2.218 12.800 1.00 0.00 H new ATOM 0 HG2 ARG B 10 -11.456 -0.432 10.833 1.00 0.00 H new ATOM 0 HG3 ARG B 10 -11.077 -0.377 12.543 1.00 0.00 H new ATOM 0 HD2 ARG B 10 -10.968 -2.939 10.891 1.00 0.00 H new ATOM 0 HD3 ARG B 10 -9.583 -1.895 11.146 1.00 0.00 H new ATOM 0 HE ARG B 10 -10.795 -3.711 13.101 1.00 0.00 H new ATOM 0 HH11 ARG B 10 -8.856 -0.767 12.629 1.00 0.00 H new ATOM 0 HH12 ARG B 10 -8.057 -0.898 14.199 1.00 0.00 H new ATOM 0 HH21 ARG B 10 -9.759 -3.850 15.123 1.00 0.00 H new ATOM 0 HH22 ARG B 10 -8.568 -2.640 15.608 1.00 0.00 H new HETATM 1101 N NH2 B 11 -15.548 -2.947 9.992 1.00 0.00 N TER 1104 NH2 B 11