USER MOD reduce.3.24.130724 H: found=0, std=0, add=409, rem=0, adj=12 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 11 ASN : amide:sc= 0.407 K(o=0.41,f=-7.8!) USER MOD Set 1.2: A 43 HIS : no HD1:sc= 0.00241 K(o=0.41,f=-0.27) USER MOD Set 2.1: A 36 HIS :FLIP no HE2:sc= 0.124 F(o=-0.49,f=1.1) USER MOD Set 2.2: A 50 ASN : amide:sc= 0.983 K(o=1.1,f=-4.1!) USER MOD Single : A 1 VAL N :NH3+ -112:sc= -0.18 (180deg=-0.332) USER MOD Single : A 5 TYR OH : rot -48:sc= 0.837 USER MOD Single : A 8 GLN : amide:sc= 0.874 K(o=0.87,f=0) USER MOD Single : A 12 CYS SG : rot 54:sc= 0.605 USER MOD Single : A 14 TYR OH : rot 30:sc= 0 USER MOD Single : A 15 HIS : no HD1:sc= -0.0151 X(o=-0.015,f=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0.0459 USER MOD Single : A 21 SER OG : rot 180:sc= 0.123 USER MOD Single : A 25 THR OG1 : rot 93:sc= 1.27 USER MOD Single : A 28 LYS NZ :NH3+ 172:sc=-0.00542 (180deg=-0.0812) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 74:sc= 1.23 USER MOD Single : A 34 SER OG : rot 11:sc= 1.22 USER MOD Single : A 40 LYS NZ :NH3+ 170:sc=-0.00386 (180deg=-0.12) USER MOD Single : A 55 ASN : amide:sc= 0.392 K(o=0.39,f=-4.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 6.990 12.098 5.740 1.00 0.00 N ATOM 2 CA VAL A 1 6.551 10.834 5.094 1.00 0.00 C ATOM 3 C VAL A 1 5.522 10.135 5.945 1.00 0.00 C ATOM 4 O VAL A 1 5.304 10.502 7.100 1.00 0.00 O ATOM 5 CB VAL A 1 7.738 9.904 4.812 1.00 0.00 C ATOM 6 CG1 VAL A 1 8.669 10.551 3.762 1.00 0.00 C ATOM 7 CG2 VAL A 1 8.502 9.520 6.099 1.00 0.00 C ATOM 0 H1 VAL A 1 6.658 12.908 5.179 1.00 0.00 H new ATOM 0 H2 VAL A 1 6.592 12.154 6.699 1.00 0.00 H new ATOM 0 H3 VAL A 1 8.028 12.117 5.795 1.00 0.00 H new ATOM 0 HA VAL A 1 6.097 11.091 4.137 1.00 0.00 H new ATOM 0 HB VAL A 1 7.349 8.970 4.406 1.00 0.00 H new ATOM 0 HG11 VAL A 1 9.511 9.888 3.564 1.00 0.00 H new ATOM 0 HG12 VAL A 1 8.115 10.719 2.839 1.00 0.00 H new ATOM 0 HG13 VAL A 1 9.039 11.503 4.141 1.00 0.00 H new ATOM 0 HG21 VAL A 1 9.333 8.861 5.846 1.00 0.00 H new ATOM 0 HG22 VAL A 1 8.886 10.421 6.577 1.00 0.00 H new ATOM 0 HG23 VAL A 1 7.827 9.006 6.783 1.00 0.00 H new ATOM 19 N ARG A 2 4.867 9.090 5.383 1.00 0.00 N ATOM 20 CA ARG A 2 4.041 8.185 6.148 1.00 0.00 C ATOM 21 C ARG A 2 4.732 6.855 6.082 1.00 0.00 C ATOM 22 O ARG A 2 5.708 6.689 5.348 1.00 0.00 O ATOM 23 CB ARG A 2 2.575 8.023 5.647 1.00 0.00 C ATOM 24 CG ARG A 2 2.388 7.513 4.201 1.00 0.00 C ATOM 25 CD ARG A 2 2.073 8.607 3.163 1.00 0.00 C ATOM 26 NE ARG A 2 0.583 8.771 2.965 1.00 0.00 N ATOM 27 CZ ARG A 2 -0.195 9.680 3.631 1.00 0.00 C ATOM 28 NH1 ARG A 2 0.321 10.494 4.594 1.00 0.00 N ATOM 29 NH2 ARG A 2 -1.520 9.776 3.310 1.00 0.00 N ATOM 0 H ARG A 2 4.910 8.870 4.388 1.00 0.00 H new ATOM 0 HA ARG A 2 3.938 8.594 7.153 1.00 0.00 H new ATOM 0 HB2 ARG A 2 2.060 7.337 6.319 1.00 0.00 H new ATOM 0 HB3 ARG A 2 2.077 8.989 5.734 1.00 0.00 H new ATOM 0 HG2 ARG A 2 3.295 6.992 3.895 1.00 0.00 H new ATOM 0 HG3 ARG A 2 1.581 6.780 4.191 1.00 0.00 H new ATOM 0 HD2 ARG A 2 2.504 9.554 3.489 1.00 0.00 H new ATOM 0 HD3 ARG A 2 2.542 8.353 2.212 1.00 0.00 H new ATOM 0 HE ARG A 2 0.125 8.161 2.287 1.00 0.00 H new ATOM 0 HH11 ARG A 2 1.310 10.435 4.835 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -0.282 11.162 5.074 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -1.914 9.176 2.585 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -2.115 10.447 3.795 1.00 0.00 H new ATOM 43 N ASP A 3 4.204 5.855 6.817 1.00 0.00 N ATOM 44 CA ASP A 3 4.539 4.472 6.651 1.00 0.00 C ATOM 45 C ASP A 3 3.133 3.998 6.543 1.00 0.00 C ATOM 46 O ASP A 3 2.255 4.629 7.138 1.00 0.00 O ATOM 47 CB ASP A 3 5.206 3.775 7.867 1.00 0.00 C ATOM 48 CG ASP A 3 6.501 4.491 8.250 1.00 0.00 C ATOM 49 OD1 ASP A 3 7.451 4.486 7.426 1.00 0.00 O ATOM 50 OD2 ASP A 3 6.559 5.048 9.380 1.00 0.00 O ATOM 0 H ASP A 3 3.518 6.017 7.554 1.00 0.00 H new ATOM 0 HA ASP A 3 5.260 4.282 5.856 1.00 0.00 H new ATOM 0 HB2 ASP A 3 4.520 3.773 8.714 1.00 0.00 H new ATOM 0 HB3 ASP A 3 5.417 2.733 7.626 1.00 0.00 H new ATOM 55 N GLY A 4 2.852 2.962 5.735 1.00 0.00 N ATOM 56 CA GLY A 4 1.494 2.527 5.634 1.00 0.00 C ATOM 57 C GLY A 4 1.504 1.157 5.078 1.00 0.00 C ATOM 58 O GLY A 4 2.533 0.663 4.619 1.00 0.00 O ATOM 0 H GLY A 4 3.529 2.445 5.175 1.00 0.00 H new ATOM 0 HA2 GLY A 4 1.014 2.540 6.613 1.00 0.00 H new ATOM 0 HA3 GLY A 4 0.924 3.197 4.991 1.00 0.00 H new ATOM 62 N TYR A 5 0.298 0.561 5.003 1.00 0.00 N ATOM 63 CA TYR A 5 -0.006 -0.491 4.074 1.00 0.00 C ATOM 64 C TYR A 5 -0.266 0.283 2.820 1.00 0.00 C ATOM 65 O TYR A 5 -0.973 1.283 2.898 1.00 0.00 O ATOM 66 CB TYR A 5 -1.311 -1.218 4.434 1.00 0.00 C ATOM 67 CG TYR A 5 -1.136 -2.122 5.602 1.00 0.00 C ATOM 68 CD1 TYR A 5 -0.648 -3.418 5.393 1.00 0.00 C ATOM 69 CD2 TYR A 5 -1.523 -1.726 6.896 1.00 0.00 C ATOM 70 CE1 TYR A 5 -0.592 -4.319 6.455 1.00 0.00 C ATOM 71 CE2 TYR A 5 -1.477 -2.637 7.958 1.00 0.00 C ATOM 72 CZ TYR A 5 -1.040 -3.948 7.725 1.00 0.00 C ATOM 73 OH TYR A 5 -1.149 -4.933 8.726 1.00 0.00 O ATOM 0 H TYR A 5 -0.487 0.816 5.603 1.00 0.00 H new ATOM 0 HA TYR A 5 0.781 -1.244 4.032 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -2.086 -0.485 4.655 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -1.654 -1.796 3.576 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -0.316 -3.719 4.410 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -1.857 -0.714 7.071 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -0.199 -5.312 6.295 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -1.776 -2.332 8.950 1.00 0.00 H new ATOM 0 HH TYR A 5 -1.624 -5.712 8.368 1.00 0.00 H new ATOM 83 N ILE A 6 0.322 -0.089 1.665 1.00 0.00 N ATOM 84 CA ILE A 6 0.115 0.649 0.447 1.00 0.00 C ATOM 85 C ILE A 6 -1.071 0.019 -0.233 1.00 0.00 C ATOM 86 O ILE A 6 -1.234 -1.215 -0.234 1.00 0.00 O ATOM 87 CB ILE A 6 1.340 0.824 -0.457 1.00 0.00 C ATOM 88 CG1 ILE A 6 1.071 1.830 -1.611 1.00 0.00 C ATOM 89 CG2 ILE A 6 1.871 -0.539 -0.931 1.00 0.00 C ATOM 90 CD1 ILE A 6 2.258 2.080 -2.544 1.00 0.00 C ATOM 0 H ILE A 6 0.938 -0.896 1.571 1.00 0.00 H new ATOM 0 HA ILE A 6 -0.083 1.691 0.696 1.00 0.00 H new ATOM 0 HB ILE A 6 2.140 1.275 0.131 1.00 0.00 H new ATOM 0 HG12 ILE A 6 0.233 1.463 -2.204 1.00 0.00 H new ATOM 0 HG13 ILE A 6 0.762 2.782 -1.178 1.00 0.00 H new ATOM 0 HG21 ILE A 6 2.740 -0.388 -1.571 1.00 0.00 H new ATOM 0 HG22 ILE A 6 2.156 -1.139 -0.067 1.00 0.00 H new ATOM 0 HG23 ILE A 6 1.093 -1.057 -1.492 1.00 0.00 H new ATOM 0 HD11 ILE A 6 1.971 2.795 -3.315 1.00 0.00 H new ATOM 0 HD12 ILE A 6 3.094 2.481 -1.970 1.00 0.00 H new ATOM 0 HD13 ILE A 6 2.556 1.142 -3.012 1.00 0.00 H new ATOM 102 N ALA A 7 -1.905 0.938 -0.775 1.00 0.00 N ATOM 103 CA ALA A 7 -3.080 0.696 -1.546 1.00 0.00 C ATOM 104 C ALA A 7 -2.752 1.032 -2.962 1.00 0.00 C ATOM 105 O ALA A 7 -1.683 0.717 -3.467 1.00 0.00 O ATOM 106 CB ALA A 7 -4.273 1.584 -1.128 1.00 0.00 C ATOM 0 H ALA A 7 -1.732 1.936 -0.657 1.00 0.00 H new ATOM 0 HA ALA A 7 -3.371 -0.344 -1.398 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -5.136 1.352 -1.752 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -4.519 1.394 -0.083 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -4.007 2.634 -1.253 1.00 0.00 H new ATOM 112 N GLN A 8 -3.703 1.699 -3.628 1.00 0.00 N ATOM 113 CA GLN A 8 -3.620 2.235 -4.935 1.00 0.00 C ATOM 114 C GLN A 8 -4.390 3.481 -4.602 1.00 0.00 C ATOM 115 O GLN A 8 -5.244 3.367 -3.713 1.00 0.00 O ATOM 116 CB GLN A 8 -4.423 1.403 -5.965 1.00 0.00 C ATOM 117 CG GLN A 8 -3.977 -0.071 -6.017 1.00 0.00 C ATOM 118 CD GLN A 8 -4.963 -0.868 -6.871 1.00 0.00 C ATOM 119 OE1 GLN A 8 -5.118 -0.594 -8.066 1.00 0.00 O ATOM 120 NE2 GLN A 8 -5.650 -1.870 -6.249 1.00 0.00 N ATOM 0 H GLN A 8 -4.614 1.876 -3.205 1.00 0.00 H new ATOM 0 HA GLN A 8 -2.625 2.314 -5.373 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -5.483 1.449 -5.715 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -4.309 1.848 -6.953 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -2.973 -0.145 -6.436 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -3.933 -0.485 -5.010 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -5.489 -2.061 -5.260 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -6.324 -2.428 -6.773 1.00 0.00 H new ATOM 129 N PRO A 9 -4.168 4.641 -5.205 1.00 0.00 N ATOM 130 CA PRO A 9 -5.033 5.794 -5.028 1.00 0.00 C ATOM 131 C PRO A 9 -6.366 5.467 -5.667 1.00 0.00 C ATOM 132 O PRO A 9 -6.351 4.767 -6.674 1.00 0.00 O ATOM 133 CB PRO A 9 -4.320 6.925 -5.794 1.00 0.00 C ATOM 134 CG PRO A 9 -2.848 6.498 -5.829 1.00 0.00 C ATOM 135 CD PRO A 9 -2.940 4.974 -5.922 1.00 0.00 C ATOM 0 HA PRO A 9 -5.211 6.070 -3.988 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -4.724 7.039 -6.800 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -4.443 7.884 -5.291 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -2.323 6.925 -6.684 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -2.313 6.817 -4.935 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -2.982 4.641 -6.959 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -2.072 4.495 -5.468 1.00 0.00 H new ATOM 143 N GLU A 10 -7.536 5.893 -5.137 1.00 0.00 N ATOM 144 CA GLU A 10 -7.731 6.835 -4.061 1.00 0.00 C ATOM 145 C GLU A 10 -7.621 6.117 -2.745 1.00 0.00 C ATOM 146 O GLU A 10 -7.172 6.672 -1.748 1.00 0.00 O ATOM 147 CB GLU A 10 -9.138 7.494 -4.094 1.00 0.00 C ATOM 148 CG GLU A 10 -9.312 8.604 -5.152 1.00 0.00 C ATOM 149 CD GLU A 10 -9.313 8.040 -6.571 1.00 0.00 C ATOM 150 OE1 GLU A 10 -10.240 7.247 -6.884 1.00 0.00 O ATOM 151 OE2 GLU A 10 -8.394 8.393 -7.357 1.00 0.00 O ATOM 0 H GLU A 10 -8.426 5.546 -5.494 1.00 0.00 H new ATOM 0 HA GLU A 10 -6.970 7.606 -4.180 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -9.882 6.719 -4.277 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -9.350 7.914 -3.110 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -10.247 9.135 -4.971 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -8.507 9.332 -5.051 1.00 0.00 H new ATOM 158 N ASN A 11 -8.049 4.853 -2.719 1.00 0.00 N ATOM 159 CA ASN A 11 -8.061 3.985 -1.596 1.00 0.00 C ATOM 160 C ASN A 11 -8.155 2.745 -2.414 1.00 0.00 C ATOM 161 O ASN A 11 -8.620 2.854 -3.546 1.00 0.00 O ATOM 162 CB ASN A 11 -9.346 4.081 -0.728 1.00 0.00 C ATOM 163 CG ASN A 11 -9.301 3.025 0.380 1.00 0.00 C ATOM 164 OD1 ASN A 11 -8.212 2.604 0.779 1.00 0.00 O ATOM 165 ND2 ASN A 11 -10.480 2.575 0.881 1.00 0.00 N ATOM 0 H ASN A 11 -8.418 4.401 -3.555 1.00 0.00 H new ATOM 0 HA ASN A 11 -7.253 4.131 -0.879 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -9.428 5.076 -0.292 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -10.229 3.932 -1.350 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -10.485 1.865 1.613 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -11.361 2.947 0.525 1.00 0.00 H new ATOM 172 N CYS A 12 -7.762 1.599 -1.851 1.00 0.00 N ATOM 173 CA CYS A 12 -7.967 0.237 -2.296 1.00 0.00 C ATOM 174 C CYS A 12 -7.079 -0.448 -1.315 1.00 0.00 C ATOM 175 O CYS A 12 -6.849 0.085 -0.233 1.00 0.00 O ATOM 176 CB CYS A 12 -7.613 -0.149 -3.771 1.00 0.00 C ATOM 177 SG CYS A 12 -8.794 0.448 -5.024 1.00 0.00 S ATOM 0 H CYS A 12 -7.236 1.617 -0.977 1.00 0.00 H new ATOM 0 HA CYS A 12 -9.026 -0.021 -2.322 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -6.625 0.245 -4.007 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -7.548 -1.235 -3.842 1.00 0.00 H new ATOM 0 HG CYS A 12 -8.951 1.732 -4.895 1.00 0.00 H new ATOM 182 N VAL A 13 -6.526 -1.614 -1.673 1.00 0.00 N ATOM 183 CA VAL A 13 -5.357 -2.175 -1.072 1.00 0.00 C ATOM 184 C VAL A 13 -4.645 -2.480 -2.352 1.00 0.00 C ATOM 185 O VAL A 13 -5.262 -2.419 -3.423 1.00 0.00 O ATOM 186 CB VAL A 13 -5.533 -3.451 -0.251 1.00 0.00 C ATOM 187 CG1 VAL A 13 -5.820 -3.072 1.212 1.00 0.00 C ATOM 188 CG2 VAL A 13 -6.625 -4.363 -0.840 1.00 0.00 C ATOM 0 H VAL A 13 -6.910 -2.196 -2.417 1.00 0.00 H new ATOM 0 HA VAL A 13 -4.897 -1.524 -0.329 1.00 0.00 H new ATOM 0 HB VAL A 13 -4.610 -4.030 -0.288 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -5.947 -3.978 1.804 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -4.986 -2.493 1.608 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -6.731 -2.476 1.261 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -6.719 -5.260 -0.228 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -7.576 -3.830 -0.853 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -6.354 -4.645 -1.857 1.00 0.00 H new ATOM 198 N TYR A 14 -3.340 -2.812 -2.274 1.00 0.00 N ATOM 199 CA TYR A 14 -2.641 -3.429 -3.372 1.00 0.00 C ATOM 200 C TYR A 14 -2.955 -4.901 -3.236 1.00 0.00 C ATOM 201 O TYR A 14 -4.003 -5.283 -2.729 1.00 0.00 O ATOM 202 CB TYR A 14 -1.112 -3.086 -3.389 1.00 0.00 C ATOM 203 CG TYR A 14 -0.662 -2.398 -4.663 1.00 0.00 C ATOM 204 CD1 TYR A 14 -1.079 -2.829 -5.939 1.00 0.00 C ATOM 205 CD2 TYR A 14 0.217 -1.302 -4.586 1.00 0.00 C ATOM 206 CE1 TYR A 14 -0.669 -2.150 -7.096 1.00 0.00 C ATOM 207 CE2 TYR A 14 0.634 -0.626 -5.737 1.00 0.00 C ATOM 208 CZ TYR A 14 0.183 -1.044 -6.995 1.00 0.00 C ATOM 209 OH TYR A 14 0.585 -0.355 -8.161 1.00 0.00 O ATOM 0 H TYR A 14 -2.764 -2.653 -1.448 1.00 0.00 H new ATOM 0 HA TYR A 14 -2.967 -3.052 -4.342 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -0.882 -2.445 -2.538 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -0.540 -4.005 -3.260 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -1.722 -3.692 -6.027 1.00 0.00 H new ATOM 0 HD2 TYR A 14 0.576 -0.977 -3.621 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -1.011 -2.481 -8.066 1.00 0.00 H new ATOM 0 HE2 TYR A 14 1.303 0.218 -5.656 1.00 0.00 H new ATOM 0 HH TYR A 14 -0.119 -0.422 -8.840 1.00 0.00 H new ATOM 219 N HIS A 15 -2.056 -5.781 -3.670 1.00 0.00 N ATOM 220 CA HIS A 15 -2.105 -7.156 -3.287 1.00 0.00 C ATOM 221 C HIS A 15 -0.644 -7.332 -3.094 1.00 0.00 C ATOM 222 O HIS A 15 0.113 -6.362 -3.185 1.00 0.00 O ATOM 223 CB HIS A 15 -2.692 -8.139 -4.329 1.00 0.00 C ATOM 224 CG HIS A 15 -4.189 -8.233 -4.204 1.00 0.00 C ATOM 225 ND1 HIS A 15 -5.058 -7.378 -4.828 1.00 0.00 N ATOM 226 CD2 HIS A 15 -4.929 -9.040 -3.407 1.00 0.00 C ATOM 227 CE1 HIS A 15 -6.287 -7.659 -4.415 1.00 0.00 C ATOM 228 NE2 HIS A 15 -6.236 -8.664 -3.553 1.00 0.00 N ATOM 0 H HIS A 15 -1.284 -5.545 -4.293 1.00 0.00 H new ATOM 0 HA HIS A 15 -2.766 -7.372 -2.448 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -2.428 -7.809 -5.334 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -2.250 -9.126 -4.192 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -4.557 -9.832 -2.774 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -7.186 -7.150 -4.731 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -7.035 -9.085 -3.079 1.00 0.00 H new ATOM 237 N CYS A 16 -0.192 -8.551 -2.805 1.00 0.00 N ATOM 238 CA CYS A 16 1.166 -8.818 -2.500 1.00 0.00 C ATOM 239 C CYS A 16 1.204 -10.188 -3.074 1.00 0.00 C ATOM 240 O CYS A 16 0.167 -10.711 -3.489 1.00 0.00 O ATOM 241 CB CYS A 16 1.445 -8.808 -0.969 1.00 0.00 C ATOM 242 SG CYS A 16 3.154 -9.190 -0.483 1.00 0.00 S ATOM 0 H CYS A 16 -0.789 -9.378 -2.782 1.00 0.00 H new ATOM 0 HA CYS A 16 1.903 -8.107 -2.874 1.00 0.00 H new ATOM 0 HB2 CYS A 16 1.185 -7.825 -0.576 1.00 0.00 H new ATOM 0 HB3 CYS A 16 0.780 -9.528 -0.491 1.00 0.00 H new ATOM 247 N PHE A 17 2.395 -10.787 -3.108 1.00 0.00 N ATOM 248 CA PHE A 17 2.649 -12.116 -3.514 1.00 0.00 C ATOM 249 C PHE A 17 3.440 -12.408 -2.279 1.00 0.00 C ATOM 250 O PHE A 17 4.308 -11.565 -2.044 1.00 0.00 O ATOM 251 CB PHE A 17 3.596 -12.178 -4.739 1.00 0.00 C ATOM 252 CG PHE A 17 3.055 -11.384 -5.905 1.00 0.00 C ATOM 253 CD1 PHE A 17 3.277 -9.994 -5.996 1.00 0.00 C ATOM 254 CD2 PHE A 17 2.337 -12.019 -6.931 1.00 0.00 C ATOM 255 CE1 PHE A 17 2.794 -9.261 -7.085 1.00 0.00 C ATOM 256 CE2 PHE A 17 1.864 -11.290 -8.031 1.00 0.00 C ATOM 257 CZ PHE A 17 2.095 -9.912 -8.108 1.00 0.00 C ATOM 0 H PHE A 17 3.246 -10.300 -2.828 1.00 0.00 H new ATOM 0 HA PHE A 17 1.801 -12.739 -3.799 1.00 0.00 H new ATOM 0 HB2 PHE A 17 4.577 -11.793 -4.460 1.00 0.00 H new ATOM 0 HB3 PHE A 17 3.735 -13.217 -5.039 1.00 0.00 H new ATOM 0 HD1 PHE A 17 3.827 -9.489 -5.215 1.00 0.00 H new ATOM 0 HD2 PHE A 17 2.147 -13.081 -6.872 1.00 0.00 H new ATOM 0 HE1 PHE A 17 2.960 -8.195 -7.136 1.00 0.00 H new ATOM 0 HE2 PHE A 17 1.322 -11.792 -8.819 1.00 0.00 H new ATOM 0 HZ PHE A 17 1.734 -9.351 -8.957 1.00 0.00 H new ATOM 267 N PRO A 18 3.214 -13.420 -1.446 1.00 0.00 N ATOM 268 CA PRO A 18 3.894 -13.544 -0.163 1.00 0.00 C ATOM 269 C PRO A 18 5.401 -13.642 -0.249 1.00 0.00 C ATOM 270 O PRO A 18 5.933 -14.723 -0.497 1.00 0.00 O ATOM 271 CB PRO A 18 3.295 -14.828 0.426 1.00 0.00 C ATOM 272 CG PRO A 18 1.833 -14.788 -0.034 1.00 0.00 C ATOM 273 CD PRO A 18 1.895 -14.057 -1.383 1.00 0.00 C ATOM 0 HA PRO A 18 3.742 -12.651 0.442 1.00 0.00 H new ATOM 0 HB2 PRO A 18 3.808 -15.716 0.056 1.00 0.00 H new ATOM 0 HB3 PRO A 18 3.373 -14.845 1.513 1.00 0.00 H new ATOM 0 HG2 PRO A 18 1.419 -15.791 -0.141 1.00 0.00 H new ATOM 0 HG3 PRO A 18 1.203 -14.258 0.680 1.00 0.00 H new ATOM 0 HD2 PRO A 18 1.760 -14.755 -2.210 1.00 0.00 H new ATOM 0 HD3 PRO A 18 1.101 -13.315 -1.460 1.00 0.00 H new ATOM 281 N GLY A 19 6.106 -12.518 -0.041 1.00 0.00 N ATOM 282 CA GLY A 19 7.520 -12.437 -0.171 1.00 0.00 C ATOM 283 C GLY A 19 7.620 -10.965 -0.331 1.00 0.00 C ATOM 284 O GLY A 19 6.636 -10.266 -0.075 1.00 0.00 O ATOM 0 H GLY A 19 5.673 -11.635 0.228 1.00 0.00 H new ATOM 0 HA2 GLY A 19 8.051 -12.808 0.706 1.00 0.00 H new ATOM 0 HA3 GLY A 19 7.902 -12.987 -1.031 1.00 0.00 H new ATOM 288 N SER A 20 8.793 -10.460 -0.754 1.00 0.00 N ATOM 289 CA SER A 20 8.998 -9.058 -0.958 1.00 0.00 C ATOM 290 C SER A 20 8.672 -8.727 -2.384 1.00 0.00 C ATOM 291 O SER A 20 7.984 -7.743 -2.642 1.00 0.00 O ATOM 292 CB SER A 20 10.464 -8.670 -0.648 1.00 0.00 C ATOM 293 OG SER A 20 11.370 -9.684 -1.089 1.00 0.00 O ATOM 0 H SER A 20 9.612 -11.033 -0.958 1.00 0.00 H new ATOM 0 HA SER A 20 8.349 -8.496 -0.286 1.00 0.00 H new ATOM 0 HB2 SER A 20 10.704 -7.726 -1.137 1.00 0.00 H new ATOM 0 HB3 SER A 20 10.583 -8.513 0.424 1.00 0.00 H new ATOM 0 HG SER A 20 12.289 -9.414 -0.883 1.00 0.00 H new ATOM 299 N SER A 21 9.158 -9.549 -3.343 1.00 0.00 N ATOM 300 CA SER A 21 9.485 -9.203 -4.707 1.00 0.00 C ATOM 301 C SER A 21 8.545 -8.250 -5.417 1.00 0.00 C ATOM 302 O SER A 21 8.896 -7.090 -5.657 1.00 0.00 O ATOM 303 CB SER A 21 9.670 -10.504 -5.531 1.00 0.00 C ATOM 304 OG SER A 21 10.275 -11.507 -4.713 1.00 0.00 O ATOM 0 H SER A 21 9.337 -10.534 -3.150 1.00 0.00 H new ATOM 0 HA SER A 21 10.410 -8.631 -4.636 1.00 0.00 H new ATOM 0 HB2 SER A 21 8.705 -10.854 -5.899 1.00 0.00 H new ATOM 0 HB3 SER A 21 10.292 -10.308 -6.404 1.00 0.00 H new ATOM 0 HG SER A 21 10.390 -12.329 -5.234 1.00 0.00 H new ATOM 310 N GLY A 22 7.315 -8.686 -5.764 1.00 0.00 N ATOM 311 CA GLY A 22 6.431 -7.876 -6.579 1.00 0.00 C ATOM 312 C GLY A 22 5.905 -6.706 -5.804 1.00 0.00 C ATOM 313 O GLY A 22 5.774 -5.603 -6.328 1.00 0.00 O ATOM 0 H GLY A 22 6.929 -9.589 -5.487 1.00 0.00 H new ATOM 0 HA2 GLY A 22 6.966 -7.522 -7.460 1.00 0.00 H new ATOM 0 HA3 GLY A 22 5.599 -8.484 -6.934 1.00 0.00 H new ATOM 317 N CYS A 23 5.621 -6.927 -4.505 1.00 0.00 N ATOM 318 CA CYS A 23 5.076 -5.942 -3.598 1.00 0.00 C ATOM 319 C CYS A 23 6.082 -4.842 -3.417 1.00 0.00 C ATOM 320 O CYS A 23 5.760 -3.673 -3.613 1.00 0.00 O ATOM 321 CB CYS A 23 4.694 -6.621 -2.254 1.00 0.00 C ATOM 322 SG CYS A 23 4.497 -5.608 -0.751 1.00 0.00 S ATOM 0 H CYS A 23 5.776 -7.832 -4.060 1.00 0.00 H new ATOM 0 HA CYS A 23 4.165 -5.503 -4.005 1.00 0.00 H new ATOM 0 HB2 CYS A 23 3.756 -7.152 -2.413 1.00 0.00 H new ATOM 0 HB3 CYS A 23 5.454 -7.373 -2.042 1.00 0.00 H new ATOM 327 N ASP A 24 7.339 -5.195 -3.081 1.00 0.00 N ATOM 328 CA ASP A 24 8.405 -4.251 -2.849 1.00 0.00 C ATOM 329 C ASP A 24 8.657 -3.453 -4.106 1.00 0.00 C ATOM 330 O ASP A 24 8.799 -2.237 -4.050 1.00 0.00 O ATOM 331 CB ASP A 24 9.706 -4.936 -2.354 1.00 0.00 C ATOM 332 CG ASP A 24 10.720 -3.908 -1.844 1.00 0.00 C ATOM 333 OD1 ASP A 24 10.369 -3.146 -0.903 1.00 0.00 O ATOM 334 OD2 ASP A 24 11.855 -3.872 -2.389 1.00 0.00 O ATOM 0 H ASP A 24 7.628 -6.167 -2.966 1.00 0.00 H new ATOM 0 HA ASP A 24 8.089 -3.579 -2.051 1.00 0.00 H new ATOM 0 HB2 ASP A 24 9.468 -5.640 -1.557 1.00 0.00 H new ATOM 0 HB3 ASP A 24 10.148 -5.512 -3.167 1.00 0.00 H new ATOM 339 N THR A 25 8.642 -4.103 -5.286 1.00 0.00 N ATOM 340 CA THR A 25 8.775 -3.409 -6.554 1.00 0.00 C ATOM 341 C THR A 25 7.673 -2.374 -6.750 1.00 0.00 C ATOM 342 O THR A 25 7.949 -1.225 -7.096 1.00 0.00 O ATOM 343 CB THR A 25 8.751 -4.362 -7.734 1.00 0.00 C ATOM 344 OG1 THR A 25 9.637 -5.459 -7.523 1.00 0.00 O ATOM 345 CG2 THR A 25 9.200 -3.632 -9.019 1.00 0.00 C ATOM 0 H THR A 25 8.538 -5.114 -5.373 1.00 0.00 H new ATOM 0 HA THR A 25 9.744 -2.910 -6.516 1.00 0.00 H new ATOM 0 HB THR A 25 7.729 -4.727 -7.837 1.00 0.00 H new ATOM 0 HG1 THR A 25 9.146 -6.202 -7.114 1.00 0.00 H new ATOM 0 HG21 THR A 25 9.178 -4.327 -9.859 1.00 0.00 H new ATOM 0 HG22 THR A 25 8.525 -2.800 -9.219 1.00 0.00 H new ATOM 0 HG23 THR A 25 10.214 -3.254 -8.887 1.00 0.00 H new ATOM 353 N LEU A 26 6.395 -2.756 -6.503 1.00 0.00 N ATOM 354 CA LEU A 26 5.251 -1.880 -6.680 1.00 0.00 C ATOM 355 C LEU A 26 5.302 -0.745 -5.699 1.00 0.00 C ATOM 356 O LEU A 26 5.060 0.408 -6.043 1.00 0.00 O ATOM 357 CB LEU A 26 3.903 -2.602 -6.455 1.00 0.00 C ATOM 358 CG LEU A 26 3.553 -3.625 -7.560 1.00 0.00 C ATOM 359 CD1 LEU A 26 2.459 -4.601 -7.090 1.00 0.00 C ATOM 360 CD2 LEU A 26 3.161 -2.939 -8.883 1.00 0.00 C ATOM 0 H LEU A 26 6.147 -3.689 -6.174 1.00 0.00 H new ATOM 0 HA LEU A 26 5.307 -1.528 -7.710 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.932 -3.115 -5.494 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.108 -1.858 -6.396 1.00 0.00 H new ATOM 0 HG LEU A 26 4.456 -4.203 -7.757 1.00 0.00 H new ATOM 0 HD11 LEU A 26 2.235 -5.308 -7.889 1.00 0.00 H new ATOM 0 HD12 LEU A 26 2.809 -5.144 -6.212 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.558 -4.043 -6.836 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.924 -3.697 -9.629 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.290 -2.305 -8.720 1.00 0.00 H new ATOM 0 HD23 LEU A 26 3.992 -2.329 -9.237 1.00 0.00 H new ATOM 372 N CYS A 27 5.663 -1.063 -4.441 1.00 0.00 N ATOM 373 CA CYS A 27 5.877 -0.119 -3.368 1.00 0.00 C ATOM 374 C CYS A 27 6.911 0.900 -3.779 1.00 0.00 C ATOM 375 O CYS A 27 6.697 2.111 -3.668 1.00 0.00 O ATOM 376 CB CYS A 27 6.350 -0.861 -2.081 1.00 0.00 C ATOM 377 SG CYS A 27 6.756 0.184 -0.655 1.00 0.00 S ATOM 0 H CYS A 27 5.815 -2.029 -4.150 1.00 0.00 H new ATOM 0 HA CYS A 27 4.936 0.389 -3.156 1.00 0.00 H new ATOM 0 HB2 CYS A 27 5.569 -1.560 -1.782 1.00 0.00 H new ATOM 0 HB3 CYS A 27 7.229 -1.455 -2.332 1.00 0.00 H new ATOM 382 N LYS A 28 8.068 0.437 -4.303 1.00 0.00 N ATOM 383 CA LYS A 28 9.164 1.334 -4.581 1.00 0.00 C ATOM 384 C LYS A 28 8.846 2.246 -5.735 1.00 0.00 C ATOM 385 O LYS A 28 9.201 3.424 -5.698 1.00 0.00 O ATOM 386 CB LYS A 28 10.516 0.623 -4.796 1.00 0.00 C ATOM 387 CG LYS A 28 11.059 0.031 -3.480 1.00 0.00 C ATOM 388 CD LYS A 28 12.429 -0.660 -3.600 1.00 0.00 C ATOM 389 CE LYS A 28 13.604 0.278 -3.917 1.00 0.00 C ATOM 390 NZ LYS A 28 13.769 1.324 -2.877 1.00 0.00 N ATOM 0 H LYS A 28 8.246 -0.541 -4.532 1.00 0.00 H new ATOM 0 HA LYS A 28 9.283 1.936 -3.680 1.00 0.00 H new ATOM 0 HB2 LYS A 28 10.397 -0.172 -5.532 1.00 0.00 H new ATOM 0 HB3 LYS A 28 11.239 1.329 -5.204 1.00 0.00 H new ATOM 0 HG2 LYS A 28 11.134 0.830 -2.742 1.00 0.00 H new ATOM 0 HG3 LYS A 28 10.337 -0.690 -3.097 1.00 0.00 H new ATOM 0 HD2 LYS A 28 12.640 -1.179 -2.665 1.00 0.00 H new ATOM 0 HD3 LYS A 28 12.369 -1.419 -4.380 1.00 0.00 H new ATOM 0 HE2 LYS A 28 14.522 -0.304 -3.997 1.00 0.00 H new ATOM 0 HE3 LYS A 28 13.441 0.751 -4.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 14.648 1.852 -3.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 12.961 1.977 -2.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 13.814 0.877 -1.939 1.00 0.00 H new ATOM 404 N GLU A 29 8.108 1.765 -6.764 1.00 0.00 N ATOM 405 CA GLU A 29 7.763 2.602 -7.897 1.00 0.00 C ATOM 406 C GLU A 29 6.677 3.608 -7.577 1.00 0.00 C ATOM 407 O GLU A 29 6.344 4.442 -8.417 1.00 0.00 O ATOM 408 CB GLU A 29 7.386 1.810 -9.176 1.00 0.00 C ATOM 409 CG GLU A 29 6.058 1.036 -9.113 1.00 0.00 C ATOM 410 CD GLU A 29 5.788 0.280 -10.415 1.00 0.00 C ATOM 411 OE1 GLU A 29 6.703 0.201 -11.277 1.00 0.00 O ATOM 412 OE2 GLU A 29 4.645 -0.232 -10.564 1.00 0.00 O ATOM 0 H GLU A 29 7.752 0.811 -6.817 1.00 0.00 H new ATOM 0 HA GLU A 29 8.685 3.143 -8.111 1.00 0.00 H new ATOM 0 HB2 GLU A 29 7.340 2.507 -10.013 1.00 0.00 H new ATOM 0 HB3 GLU A 29 8.187 1.104 -9.393 1.00 0.00 H new ATOM 0 HG2 GLU A 29 6.085 0.332 -8.281 1.00 0.00 H new ATOM 0 HG3 GLU A 29 5.240 1.730 -8.917 1.00 0.00 H new ATOM 419 N LYS A 30 6.121 3.590 -6.342 1.00 0.00 N ATOM 420 CA LYS A 30 5.208 4.612 -5.870 1.00 0.00 C ATOM 421 C LYS A 30 5.911 5.473 -4.850 1.00 0.00 C ATOM 422 O LYS A 30 5.305 6.343 -4.223 1.00 0.00 O ATOM 423 CB LYS A 30 3.929 4.022 -5.233 1.00 0.00 C ATOM 424 CG LYS A 30 3.098 3.153 -6.198 1.00 0.00 C ATOM 425 CD LYS A 30 2.588 3.872 -7.461 1.00 0.00 C ATOM 426 CE LYS A 30 1.894 2.909 -8.435 1.00 0.00 C ATOM 427 NZ LYS A 30 1.489 3.602 -9.680 1.00 0.00 N ATOM 0 H LYS A 30 6.305 2.857 -5.657 1.00 0.00 H new ATOM 0 HA LYS A 30 4.903 5.198 -6.737 1.00 0.00 H new ATOM 0 HB2 LYS A 30 4.209 3.421 -4.368 1.00 0.00 H new ATOM 0 HB3 LYS A 30 3.307 4.838 -4.867 1.00 0.00 H new ATOM 0 HG2 LYS A 30 3.704 2.300 -6.505 1.00 0.00 H new ATOM 0 HG3 LYS A 30 2.240 2.756 -5.655 1.00 0.00 H new ATOM 0 HD2 LYS A 30 1.891 4.659 -7.173 1.00 0.00 H new ATOM 0 HD3 LYS A 30 3.425 4.356 -7.965 1.00 0.00 H new ATOM 0 HE2 LYS A 30 2.566 2.086 -8.677 1.00 0.00 H new ATOM 0 HE3 LYS A 30 1.017 2.474 -7.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 1.023 2.926 -10.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 0.829 4.372 -9.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 2.330 3.996 -10.148 1.00 0.00 H new ATOM 441 N GLY A 31 7.233 5.265 -4.682 1.00 0.00 N ATOM 442 CA GLY A 31 8.068 6.127 -3.888 1.00 0.00 C ATOM 443 C GLY A 31 8.163 5.641 -2.480 1.00 0.00 C ATOM 444 O GLY A 31 8.378 6.445 -1.575 1.00 0.00 O ATOM 0 H GLY A 31 7.734 4.484 -5.105 1.00 0.00 H new ATOM 0 HA2 GLY A 31 9.065 6.176 -4.326 1.00 0.00 H new ATOM 0 HA3 GLY A 31 7.664 7.139 -3.899 1.00 0.00 H new ATOM 448 N GLY A 32 7.988 4.317 -2.247 1.00 0.00 N ATOM 449 CA GLY A 32 8.195 3.730 -0.944 1.00 0.00 C ATOM 450 C GLY A 32 9.652 3.432 -0.828 1.00 0.00 C ATOM 451 O GLY A 32 10.259 2.896 -1.754 1.00 0.00 O ATOM 0 H GLY A 32 7.702 3.650 -2.964 1.00 0.00 H new ATOM 0 HA2 GLY A 32 7.877 4.415 -0.157 1.00 0.00 H new ATOM 0 HA3 GLY A 32 7.605 2.820 -0.832 1.00 0.00 H new ATOM 455 N THR A 33 10.273 3.807 0.306 1.00 0.00 N ATOM 456 CA THR A 33 11.710 3.836 0.410 1.00 0.00 C ATOM 457 C THR A 33 12.162 2.513 0.994 1.00 0.00 C ATOM 458 O THR A 33 13.332 2.136 0.920 1.00 0.00 O ATOM 459 CB THR A 33 12.158 5.035 1.236 1.00 0.00 C ATOM 460 OG1 THR A 33 11.480 6.217 0.801 1.00 0.00 O ATOM 461 CG2 THR A 33 13.675 5.281 1.081 1.00 0.00 C ATOM 0 H THR A 33 9.784 4.091 1.155 1.00 0.00 H new ATOM 0 HA THR A 33 12.173 3.958 -0.569 1.00 0.00 H new ATOM 0 HB THR A 33 11.923 4.817 2.278 1.00 0.00 H new ATOM 0 HG1 THR A 33 10.552 6.196 1.114 1.00 0.00 H new ATOM 0 HG21 THR A 33 13.967 6.143 1.681 1.00 0.00 H new ATOM 0 HG22 THR A 33 14.223 4.401 1.419 1.00 0.00 H new ATOM 0 HG23 THR A 33 13.907 5.473 0.034 1.00 0.00 H new ATOM 469 N SER A 34 11.242 1.735 1.594 1.00 0.00 N ATOM 470 CA SER A 34 11.472 0.367 1.967 1.00 0.00 C ATOM 471 C SER A 34 10.057 -0.090 2.096 1.00 0.00 C ATOM 472 O SER A 34 9.156 0.726 1.888 1.00 0.00 O ATOM 473 CB SER A 34 12.260 0.199 3.283 1.00 0.00 C ATOM 474 OG SER A 34 13.620 0.557 3.055 1.00 0.00 O ATOM 0 H SER A 34 10.306 2.066 1.829 1.00 0.00 H new ATOM 0 HA SER A 34 12.091 -0.189 1.263 1.00 0.00 H new ATOM 0 HB2 SER A 34 11.830 0.828 4.063 1.00 0.00 H new ATOM 0 HB3 SER A 34 12.195 -0.831 3.633 1.00 0.00 H new ATOM 0 HG SER A 34 13.702 0.988 2.179 1.00 0.00 H new ATOM 480 N GLY A 35 9.790 -1.365 2.428 1.00 0.00 N ATOM 481 CA GLY A 35 8.444 -1.835 2.429 1.00 0.00 C ATOM 482 C GLY A 35 8.561 -3.182 3.014 1.00 0.00 C ATOM 483 O GLY A 35 9.645 -3.548 3.469 1.00 0.00 O ATOM 0 H GLY A 35 10.492 -2.057 2.691 1.00 0.00 H new ATOM 0 HA2 GLY A 35 7.793 -1.193 3.023 1.00 0.00 H new ATOM 0 HA3 GLY A 35 8.028 -1.868 1.422 1.00 0.00 H new ATOM 487 N HIS A 36 7.445 -3.929 3.025 1.00 0.00 N ATOM 488 CA HIS A 36 7.314 -5.217 3.634 1.00 0.00 C ATOM 489 C HIS A 36 6.091 -5.651 2.889 1.00 0.00 C ATOM 490 O HIS A 36 5.750 -5.037 1.882 1.00 0.00 O ATOM 491 CB HIS A 36 7.027 -5.221 5.161 1.00 0.00 C ATOM 492 CG HIS A 36 8.121 -4.612 6.001 1.00 0.00 C ATOM 493 ND1 HIS A 36 8.429 -3.311 6.214 1.00 0.00 N flip ATOM 494 CD2 HIS A 36 8.986 -5.357 6.758 1.00 0.00 C flip ATOM 495 CE1 HIS A 36 9.474 -3.279 7.097 1.00 0.00 C flip ATOM 496 NE2 HIS A 36 9.791 -4.527 7.411 1.00 0.00 N flip ATOM 0 H HIS A 36 6.581 -3.616 2.582 1.00 0.00 H new ATOM 0 HA HIS A 36 8.219 -5.821 3.575 1.00 0.00 H new ATOM 0 HB2 HIS A 36 6.099 -4.679 5.346 1.00 0.00 H new ATOM 0 HB3 HIS A 36 6.866 -6.249 5.486 1.00 0.00 H new ATOM 0 HD1 HIS A 36 7.968 -2.504 5.794 1.00 0.00 H new ATOM 0 HD2 HIS A 36 9.009 -6.435 6.814 1.00 0.00 H new ATOM 0 HE1 HIS A 36 9.957 -2.390 7.473 1.00 0.00 H new ATOM 505 N CYS A 37 5.367 -6.670 3.369 1.00 0.00 N ATOM 506 CA CYS A 37 4.199 -7.228 2.757 1.00 0.00 C ATOM 507 C CYS A 37 3.396 -7.331 4.007 1.00 0.00 C ATOM 508 O CYS A 37 3.973 -7.201 5.091 1.00 0.00 O ATOM 509 CB CYS A 37 4.484 -8.627 2.148 1.00 0.00 C ATOM 510 SG CYS A 37 3.058 -9.555 1.499 1.00 0.00 S ATOM 0 H CYS A 37 5.610 -7.138 4.242 1.00 0.00 H new ATOM 0 HA CYS A 37 3.761 -6.676 1.925 1.00 0.00 H new ATOM 0 HB2 CYS A 37 5.204 -8.503 1.339 1.00 0.00 H new ATOM 0 HB3 CYS A 37 4.965 -9.237 2.912 1.00 0.00 H new ATOM 515 N GLY A 38 2.070 -7.531 3.918 1.00 0.00 N ATOM 516 CA GLY A 38 1.267 -7.569 5.094 1.00 0.00 C ATOM 517 C GLY A 38 -0.085 -7.829 4.538 1.00 0.00 C ATOM 518 O GLY A 38 -0.212 -8.163 3.360 1.00 0.00 O ATOM 0 H GLY A 38 1.562 -7.664 3.044 1.00 0.00 H new ATOM 0 HA2 GLY A 38 1.584 -8.355 5.779 1.00 0.00 H new ATOM 0 HA3 GLY A 38 1.307 -6.630 5.646 1.00 0.00 H new ATOM 522 N PHE A 39 -1.128 -7.683 5.373 1.00 0.00 N ATOM 523 CA PHE A 39 -2.491 -7.949 5.040 1.00 0.00 C ATOM 524 C PHE A 39 -3.085 -6.906 5.928 1.00 0.00 C ATOM 525 O PHE A 39 -2.515 -6.664 7.001 1.00 0.00 O ATOM 526 CB PHE A 39 -2.900 -9.378 5.504 1.00 0.00 C ATOM 527 CG PHE A 39 -4.253 -9.863 5.043 1.00 0.00 C ATOM 528 CD1 PHE A 39 -5.434 -9.456 5.689 1.00 0.00 C ATOM 529 CD2 PHE A 39 -4.346 -10.835 4.030 1.00 0.00 C ATOM 530 CE1 PHE A 39 -6.673 -9.998 5.324 1.00 0.00 C ATOM 531 CE2 PHE A 39 -5.582 -11.378 3.661 1.00 0.00 C ATOM 532 CZ PHE A 39 -6.748 -10.961 4.312 1.00 0.00 C ATOM 0 H PHE A 39 -1.013 -7.361 6.334 1.00 0.00 H new ATOM 0 HA PHE A 39 -2.766 -7.918 3.986 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -2.145 -10.082 5.153 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -2.879 -9.404 6.593 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -5.385 -8.717 6.475 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -3.449 -11.168 3.529 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -7.572 -9.672 5.825 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -5.636 -12.117 2.875 1.00 0.00 H new ATOM 0 HZ PHE A 39 -7.703 -11.381 4.034 1.00 0.00 H new ATOM 542 N LYS A 40 -4.192 -6.258 5.507 1.00 0.00 N ATOM 543 CA LYS A 40 -4.909 -5.352 6.363 1.00 0.00 C ATOM 544 C LYS A 40 -6.311 -5.858 6.309 1.00 0.00 C ATOM 545 O LYS A 40 -6.989 -5.757 5.284 1.00 0.00 O ATOM 546 CB LYS A 40 -4.883 -3.862 5.948 1.00 0.00 C ATOM 547 CG LYS A 40 -5.498 -2.949 7.029 1.00 0.00 C ATOM 548 CD LYS A 40 -5.408 -1.452 6.693 1.00 0.00 C ATOM 549 CE LYS A 40 -5.895 -0.521 7.815 1.00 0.00 C ATOM 550 NZ LYS A 40 -5.090 -0.679 9.051 1.00 0.00 N ATOM 0 H LYS A 40 -4.591 -6.361 4.574 1.00 0.00 H new ATOM 0 HA LYS A 40 -4.444 -5.345 7.349 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -3.854 -3.557 5.758 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -5.430 -3.737 5.014 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -6.545 -3.219 7.169 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -4.992 -3.131 7.977 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -4.373 -1.206 6.457 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -5.995 -1.257 5.795 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -5.842 0.514 7.477 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -6.942 -0.732 8.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -5.334 0.076 9.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -5.292 -1.604 9.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -4.079 -0.620 8.816 1.00 0.00 H new ATOM 564 N VAL A 41 -6.783 -6.436 7.436 1.00 0.00 N ATOM 565 CA VAL A 41 -8.084 -7.043 7.521 1.00 0.00 C ATOM 566 C VAL A 41 -9.081 -5.917 7.505 1.00 0.00 C ATOM 567 O VAL A 41 -8.862 -4.884 8.131 1.00 0.00 O ATOM 568 CB VAL A 41 -8.291 -7.918 8.757 1.00 0.00 C ATOM 569 CG1 VAL A 41 -9.430 -8.923 8.473 1.00 0.00 C ATOM 570 CG2 VAL A 41 -6.985 -8.657 9.125 1.00 0.00 C ATOM 0 H VAL A 41 -6.251 -6.483 8.305 1.00 0.00 H new ATOM 0 HA VAL A 41 -8.205 -7.725 6.679 1.00 0.00 H new ATOM 0 HB VAL A 41 -8.565 -7.292 9.606 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -9.586 -9.553 9.349 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -10.348 -8.379 8.249 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -9.161 -9.547 7.621 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -7.153 -9.275 10.007 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -6.678 -9.290 8.292 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -6.202 -7.929 9.335 1.00 0.00 H new ATOM 580 N GLY A 42 -10.164 -6.080 6.723 1.00 0.00 N ATOM 581 CA GLY A 42 -11.093 -5.016 6.464 1.00 0.00 C ATOM 582 C GLY A 42 -11.083 -4.833 4.988 1.00 0.00 C ATOM 583 O GLY A 42 -12.112 -4.529 4.392 1.00 0.00 O ATOM 0 H GLY A 42 -10.401 -6.959 6.264 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -12.091 -5.270 6.822 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -10.795 -4.101 6.975 1.00 0.00 H new ATOM 587 N HIS A 43 -9.911 -5.037 4.346 1.00 0.00 N ATOM 588 CA HIS A 43 -9.826 -5.071 2.908 1.00 0.00 C ATOM 589 C HIS A 43 -9.360 -6.448 2.531 1.00 0.00 C ATOM 590 O HIS A 43 -10.123 -7.234 1.975 1.00 0.00 O ATOM 591 CB HIS A 43 -8.844 -4.036 2.323 1.00 0.00 C ATOM 592 CG HIS A 43 -9.392 -2.639 2.209 1.00 0.00 C ATOM 593 ND1 HIS A 43 -9.328 -1.920 1.044 1.00 0.00 N ATOM 594 CD2 HIS A 43 -9.882 -1.809 3.158 1.00 0.00 C ATOM 595 CE1 HIS A 43 -9.761 -0.692 1.281 1.00 0.00 C ATOM 596 NE2 HIS A 43 -10.106 -0.597 2.559 1.00 0.00 N ATOM 0 H HIS A 43 -9.020 -5.179 4.822 1.00 0.00 H new ATOM 0 HA HIS A 43 -10.807 -4.826 2.502 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -7.951 -4.011 2.947 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -8.532 -4.371 1.334 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -10.063 -2.055 4.194 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -9.823 0.103 0.553 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -10.475 0.236 3.017 1.00 0.00 H new ATOM 605 N GLY A 44 -8.085 -6.792 2.805 1.00 0.00 N ATOM 606 CA GLY A 44 -7.557 -8.030 2.314 1.00 0.00 C ATOM 607 C GLY A 44 -6.073 -7.914 2.360 1.00 0.00 C ATOM 608 O GLY A 44 -5.519 -7.144 3.149 1.00 0.00 O ATOM 0 H GLY A 44 -7.434 -6.229 3.352 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -7.898 -8.865 2.925 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -7.898 -8.219 1.296 1.00 0.00 H new ATOM 612 N LEU A 45 -5.405 -8.674 1.462 1.00 0.00 N ATOM 613 CA LEU A 45 -3.974 -8.734 1.261 1.00 0.00 C ATOM 614 C LEU A 45 -3.570 -7.396 0.705 1.00 0.00 C ATOM 615 O LEU A 45 -4.294 -6.851 -0.123 1.00 0.00 O ATOM 616 CB LEU A 45 -3.660 -9.867 0.245 1.00 0.00 C ATOM 617 CG LEU A 45 -2.180 -10.193 -0.060 1.00 0.00 C ATOM 618 CD1 LEU A 45 -1.407 -10.773 1.140 1.00 0.00 C ATOM 619 CD2 LEU A 45 -2.108 -11.169 -1.252 1.00 0.00 C ATOM 0 H LEU A 45 -5.903 -9.296 0.825 1.00 0.00 H new ATOM 0 HA LEU A 45 -3.433 -8.945 2.184 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -4.132 -10.779 0.609 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -4.144 -9.611 -0.697 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.695 -9.247 -0.301 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.377 -10.975 0.846 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -1.416 -10.055 1.960 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.880 -11.700 1.464 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -1.065 -11.401 -1.470 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -2.640 -12.087 -1.003 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.568 -10.709 -2.127 1.00 0.00 H new ATOM 631 N ALA A 46 -2.451 -6.807 1.161 1.00 0.00 N ATOM 632 CA ALA A 46 -2.141 -5.442 0.850 1.00 0.00 C ATOM 633 C ALA A 46 -0.669 -5.500 0.721 1.00 0.00 C ATOM 634 O ALA A 46 -0.099 -6.566 0.941 1.00 0.00 O ATOM 635 CB ALA A 46 -2.518 -4.476 1.991 1.00 0.00 C ATOM 0 H ALA A 46 -1.758 -7.274 1.746 1.00 0.00 H new ATOM 0 HA ALA A 46 -2.679 -5.075 -0.024 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.262 -3.456 1.704 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -3.589 -4.541 2.184 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -1.970 -4.747 2.893 1.00 0.00 H new ATOM 641 N CYS A 47 -0.005 -4.376 0.388 1.00 0.00 N ATOM 642 CA CYS A 47 1.438 -4.403 0.329 1.00 0.00 C ATOM 643 C CYS A 47 1.751 -3.398 1.390 1.00 0.00 C ATOM 644 O CYS A 47 0.823 -2.717 1.824 1.00 0.00 O ATOM 645 CB CYS A 47 1.935 -4.072 -1.099 1.00 0.00 C ATOM 646 SG CYS A 47 3.715 -3.821 -1.280 1.00 0.00 S ATOM 0 H CYS A 47 -0.439 -3.480 0.167 1.00 0.00 H new ATOM 0 HA CYS A 47 1.932 -5.358 0.510 1.00 0.00 H new ATOM 0 HB2 CYS A 47 1.633 -4.881 -1.764 1.00 0.00 H new ATOM 0 HB3 CYS A 47 1.425 -3.171 -1.440 1.00 0.00 H new ATOM 651 N TRP A 48 3.004 -3.288 1.893 1.00 0.00 N ATOM 652 CA TRP A 48 3.302 -2.364 2.963 1.00 0.00 C ATOM 653 C TRP A 48 4.470 -1.566 2.464 1.00 0.00 C ATOM 654 O TRP A 48 5.298 -2.094 1.722 1.00 0.00 O ATOM 655 CB TRP A 48 3.567 -3.090 4.323 1.00 0.00 C ATOM 656 CG TRP A 48 4.213 -2.265 5.428 1.00 0.00 C ATOM 657 CD1 TRP A 48 5.529 -1.919 5.494 1.00 0.00 C ATOM 658 CD2 TRP A 48 3.579 -1.637 6.557 1.00 0.00 C ATOM 659 NE1 TRP A 48 5.760 -1.096 6.555 1.00 0.00 N ATOM 660 CE2 TRP A 48 4.574 -0.888 7.224 1.00 0.00 C ATOM 661 CE3 TRP A 48 2.265 -1.646 7.017 1.00 0.00 C ATOM 662 CZ2 TRP A 48 4.268 -0.117 8.342 1.00 0.00 C ATOM 663 CZ3 TRP A 48 1.955 -0.879 8.152 1.00 0.00 C ATOM 664 CH2 TRP A 48 2.941 -0.120 8.800 1.00 0.00 C ATOM 0 H TRP A 48 3.803 -3.831 1.565 1.00 0.00 H new ATOM 0 HA TRP A 48 2.458 -1.714 3.195 1.00 0.00 H new ATOM 0 HB2 TRP A 48 2.616 -3.471 4.695 1.00 0.00 H new ATOM 0 HB3 TRP A 48 4.202 -3.954 4.129 1.00 0.00 H new ATOM 0 HD1 TRP A 48 6.286 -2.252 4.800 1.00 0.00 H new ATOM 0 HE1 TRP A 48 6.664 -0.699 6.812 1.00 0.00 H new ATOM 0 HE3 TRP A 48 1.505 -2.227 6.515 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 5.028 0.465 8.842 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 0.944 -0.873 8.531 1.00 0.00 H new ATOM 0 HH2 TRP A 48 2.675 0.471 9.664 1.00 0.00 H new ATOM 675 N CYS A 49 4.544 -0.268 2.858 1.00 0.00 N ATOM 676 CA CYS A 49 5.625 0.606 2.481 1.00 0.00 C ATOM 677 C CYS A 49 6.040 1.343 3.707 1.00 0.00 C ATOM 678 O CYS A 49 5.217 1.646 4.573 1.00 0.00 O ATOM 679 CB CYS A 49 5.278 1.698 1.447 1.00 0.00 C ATOM 680 SG CYS A 49 4.984 1.040 -0.206 1.00 0.00 S ATOM 0 H CYS A 49 3.841 0.178 3.447 1.00 0.00 H new ATOM 0 HA CYS A 49 6.380 -0.039 2.031 1.00 0.00 H new ATOM 0 HB2 CYS A 49 4.391 2.237 1.780 1.00 0.00 H new ATOM 0 HB3 CYS A 49 6.092 2.421 1.404 1.00 0.00 H new ATOM 685 N ASN A 50 7.342 1.688 3.772 1.00 0.00 N ATOM 686 CA ASN A 50 7.893 2.535 4.790 1.00 0.00 C ATOM 687 C ASN A 50 8.421 3.700 4.020 1.00 0.00 C ATOM 688 O ASN A 50 9.047 3.518 2.974 1.00 0.00 O ATOM 689 CB ASN A 50 9.084 1.931 5.576 1.00 0.00 C ATOM 690 CG ASN A 50 8.569 0.972 6.653 1.00 0.00 C ATOM 691 OD1 ASN A 50 8.318 -0.211 6.402 1.00 0.00 O ATOM 692 ND2 ASN A 50 8.387 1.493 7.901 1.00 0.00 N ATOM 0 H ASN A 50 8.034 1.367 3.094 1.00 0.00 H new ATOM 0 HA ASN A 50 7.126 2.743 5.536 1.00 0.00 H new ATOM 0 HB2 ASN A 50 9.749 1.401 4.894 1.00 0.00 H new ATOM 0 HB3 ASN A 50 9.668 2.728 6.036 1.00 0.00 H new ATOM 0 HD21 ASN A 50 8.036 0.902 8.654 1.00 0.00 H new ATOM 0 HD22 ASN A 50 8.602 2.474 8.081 1.00 0.00 H new ATOM 699 N ALA A 51 8.169 4.921 4.545 1.00 0.00 N ATOM 700 CA ALA A 51 8.572 6.193 4.003 1.00 0.00 C ATOM 701 C ALA A 51 8.090 6.368 2.590 1.00 0.00 C ATOM 702 O ALA A 51 8.872 6.232 1.645 1.00 0.00 O ATOM 703 CB ALA A 51 10.073 6.505 4.142 1.00 0.00 C ATOM 0 H ALA A 51 7.644 5.026 5.413 1.00 0.00 H new ATOM 0 HA ALA A 51 8.078 6.937 4.628 1.00 0.00 H new ATOM 0 HB1 ALA A 51 10.283 7.482 3.707 1.00 0.00 H new ATOM 0 HB2 ALA A 51 10.347 6.511 5.197 1.00 0.00 H new ATOM 0 HB3 ALA A 51 10.653 5.743 3.621 1.00 0.00 H new ATOM 709 N LEU A 52 6.775 6.665 2.469 1.00 0.00 N ATOM 710 CA LEU A 52 6.133 7.106 1.253 1.00 0.00 C ATOM 711 C LEU A 52 5.933 8.569 1.524 1.00 0.00 C ATOM 712 O LEU A 52 5.593 8.890 2.665 1.00 0.00 O ATOM 713 CB LEU A 52 4.696 6.552 1.024 1.00 0.00 C ATOM 714 CG LEU A 52 4.609 5.129 0.437 1.00 0.00 C ATOM 715 CD1 LEU A 52 3.214 4.523 0.666 1.00 0.00 C ATOM 716 CD2 LEU A 52 4.933 5.102 -1.063 1.00 0.00 C ATOM 0 H LEU A 52 6.128 6.595 3.254 1.00 0.00 H new ATOM 0 HA LEU A 52 6.732 6.799 0.396 1.00 0.00 H new ATOM 0 HB2 LEU A 52 4.167 6.564 1.977 1.00 0.00 H new ATOM 0 HB3 LEU A 52 4.167 7.232 0.357 1.00 0.00 H new ATOM 0 HG LEU A 52 5.356 4.532 0.960 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.179 3.519 0.242 1.00 0.00 H new ATOM 0 HD12 LEU A 52 3.010 4.473 1.736 1.00 0.00 H new ATOM 0 HD13 LEU A 52 2.462 5.147 0.182 1.00 0.00 H new ATOM 0 HD21 LEU A 52 4.859 4.079 -1.433 1.00 0.00 H new ATOM 0 HD22 LEU A 52 4.225 5.734 -1.600 1.00 0.00 H new ATOM 0 HD23 LEU A 52 5.945 5.474 -1.223 1.00 0.00 H new ATOM 728 N PRO A 53 6.096 9.486 0.581 1.00 0.00 N ATOM 729 CA PRO A 53 5.752 10.878 0.785 1.00 0.00 C ATOM 730 C PRO A 53 4.247 11.022 0.870 1.00 0.00 C ATOM 731 O PRO A 53 3.507 10.095 0.543 1.00 0.00 O ATOM 732 CB PRO A 53 6.366 11.579 -0.435 1.00 0.00 C ATOM 733 CG PRO A 53 6.363 10.529 -1.555 1.00 0.00 C ATOM 734 CD PRO A 53 6.456 9.195 -0.810 1.00 0.00 C ATOM 0 HA PRO A 53 6.128 11.310 1.713 1.00 0.00 H new ATOM 0 HB2 PRO A 53 5.784 12.456 -0.718 1.00 0.00 H new ATOM 0 HB3 PRO A 53 7.378 11.923 -0.222 1.00 0.00 H new ATOM 0 HG2 PRO A 53 5.456 10.589 -2.156 1.00 0.00 H new ATOM 0 HG3 PRO A 53 7.204 10.667 -2.234 1.00 0.00 H new ATOM 0 HD2 PRO A 53 5.779 8.458 -1.243 1.00 0.00 H new ATOM 0 HD3 PRO A 53 7.462 8.781 -0.875 1.00 0.00 H new ATOM 742 N ASP A 54 3.755 12.173 1.355 1.00 0.00 N ATOM 743 CA ASP A 54 2.400 12.265 1.855 1.00 0.00 C ATOM 744 C ASP A 54 1.392 12.475 0.763 1.00 0.00 C ATOM 745 O ASP A 54 0.190 12.535 1.016 1.00 0.00 O ATOM 746 CB ASP A 54 2.248 13.437 2.840 1.00 0.00 C ATOM 747 CG ASP A 54 3.158 13.227 4.052 1.00 0.00 C ATOM 748 OD1 ASP A 54 2.863 12.310 4.864 1.00 0.00 O ATOM 749 OD2 ASP A 54 4.162 13.978 4.178 1.00 0.00 O ATOM 0 H ASP A 54 4.284 13.043 1.406 1.00 0.00 H new ATOM 0 HA ASP A 54 2.211 11.311 2.348 1.00 0.00 H new ATOM 0 HB2 ASP A 54 2.501 14.374 2.344 1.00 0.00 H new ATOM 0 HB3 ASP A 54 1.210 13.517 3.164 1.00 0.00 H new ATOM 754 N ASN A 55 1.858 12.583 -0.493 1.00 0.00 N ATOM 755 CA ASN A 55 1.020 12.781 -1.652 1.00 0.00 C ATOM 756 C ASN A 55 0.589 11.446 -2.195 1.00 0.00 C ATOM 757 O ASN A 55 -0.155 11.380 -3.169 1.00 0.00 O ATOM 758 CB ASN A 55 1.734 13.579 -2.784 1.00 0.00 C ATOM 759 CG ASN A 55 3.055 12.912 -3.197 1.00 0.00 C ATOM 760 OD1 ASN A 55 3.957 12.781 -2.362 1.00 0.00 O ATOM 761 ND2 ASN A 55 3.167 12.468 -4.480 1.00 0.00 N ATOM 0 H ASN A 55 2.851 12.532 -0.718 1.00 0.00 H new ATOM 0 HA ASN A 55 0.160 13.367 -1.327 1.00 0.00 H new ATOM 0 HB2 ASN A 55 1.076 13.652 -3.650 1.00 0.00 H new ATOM 0 HB3 ASN A 55 1.929 14.597 -2.446 1.00 0.00 H new ATOM 0 HD21 ASN A 55 4.023 12.005 -4.787 1.00 0.00 H new ATOM 0 HD22 ASN A 55 2.395 12.599 -5.134 1.00 0.00 H new ATOM 768 N VAL A 56 1.059 10.343 -1.579 1.00 0.00 N ATOM 769 CA VAL A 56 0.692 9.014 -1.972 1.00 0.00 C ATOM 770 C VAL A 56 -0.433 8.665 -1.049 1.00 0.00 C ATOM 771 O VAL A 56 -0.342 8.913 0.151 1.00 0.00 O ATOM 772 CB VAL A 56 1.828 8.016 -1.821 1.00 0.00 C ATOM 773 CG1 VAL A 56 1.467 6.711 -2.564 1.00 0.00 C ATOM 774 CG2 VAL A 56 3.116 8.680 -2.356 1.00 0.00 C ATOM 0 H VAL A 56 1.707 10.375 -0.792 1.00 0.00 H new ATOM 0 HA VAL A 56 0.424 8.975 -3.028 1.00 0.00 H new ATOM 0 HB VAL A 56 1.994 7.744 -0.779 1.00 0.00 H new ATOM 0 HG11 VAL A 56 2.281 5.994 -2.457 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.555 6.291 -2.140 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.310 6.926 -3.621 1.00 0.00 H new ATOM 0 HG21 VAL A 56 3.950 7.985 -2.260 1.00 0.00 H new ATOM 0 HG22 VAL A 56 2.981 8.943 -3.405 1.00 0.00 H new ATOM 0 HG23 VAL A 56 3.327 9.581 -1.781 1.00 0.00 H new ATOM 784 N GLY A 57 -1.530 8.090 -1.573 1.00 0.00 N ATOM 785 CA GLY A 57 -2.680 7.776 -0.769 1.00 0.00 C ATOM 786 C GLY A 57 -2.615 6.308 -0.596 1.00 0.00 C ATOM 787 O GLY A 57 -2.096 5.603 -1.462 1.00 0.00 O ATOM 0 H GLY A 57 -1.625 7.840 -2.557 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -2.647 8.292 0.191 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -3.604 8.078 -1.262 1.00 0.00 H new ATOM 791 N ILE A 58 -3.103 5.820 0.558 1.00 0.00 N ATOM 792 CA ILE A 58 -2.873 4.477 0.996 1.00 0.00 C ATOM 793 C ILE A 58 -4.218 3.958 1.411 1.00 0.00 C ATOM 794 O ILE A 58 -5.231 4.369 0.844 1.00 0.00 O ATOM 795 CB ILE A 58 -1.804 4.417 2.083 1.00 0.00 C ATOM 796 CG1 ILE A 58 -2.114 5.303 3.315 1.00 0.00 C ATOM 797 CG2 ILE A 58 -0.448 4.807 1.445 1.00 0.00 C ATOM 798 CD1 ILE A 58 -1.132 5.062 4.465 1.00 0.00 C ATOM 0 H ILE A 58 -3.671 6.371 1.202 1.00 0.00 H new ATOM 0 HA ILE A 58 -2.463 3.841 0.211 1.00 0.00 H new ATOM 0 HB ILE A 58 -1.774 3.399 2.471 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -2.078 6.353 3.023 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -3.129 5.102 3.658 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.334 4.772 2.203 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.209 4.108 0.644 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -0.514 5.816 1.038 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -1.391 5.706 5.305 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -1.186 4.019 4.777 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -0.119 5.289 4.132 1.00 0.00 H new ATOM 810 N ILE A 59 -4.265 3.013 2.383 1.00 0.00 N ATOM 811 CA ILE A 59 -5.510 2.402 2.784 1.00 0.00 C ATOM 812 C ILE A 59 -6.268 3.419 3.582 1.00 0.00 C ATOM 813 O ILE A 59 -5.726 4.050 4.488 1.00 0.00 O ATOM 814 CB ILE A 59 -5.442 1.121 3.618 1.00 0.00 C ATOM 815 CG1 ILE A 59 -4.176 0.284 3.376 1.00 0.00 C ATOM 816 CG2 ILE A 59 -6.718 0.288 3.353 1.00 0.00 C ATOM 817 CD1 ILE A 59 -3.927 -0.161 1.942 1.00 0.00 C ATOM 0 H ILE A 59 -3.446 2.674 2.888 1.00 0.00 H new ATOM 0 HA ILE A 59 -5.978 2.093 1.850 1.00 0.00 H new ATOM 0 HB ILE A 59 -5.387 1.416 4.666 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -3.314 0.862 3.709 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -4.227 -0.604 4.006 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -6.683 -0.629 3.942 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -7.596 0.868 3.637 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -6.775 0.037 2.294 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -3.007 -0.743 1.896 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -4.761 -0.774 1.601 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -3.834 0.715 1.300 1.00 0.00 H new ATOM 829 N VAL A 60 -7.545 3.582 3.222 1.00 0.00 N ATOM 830 CA VAL A 60 -8.540 4.364 3.885 1.00 0.00 C ATOM 831 C VAL A 60 -9.545 3.280 4.181 1.00 0.00 C ATOM 832 O VAL A 60 -9.572 2.267 3.481 1.00 0.00 O ATOM 833 CB VAL A 60 -9.130 5.416 2.943 1.00 0.00 C ATOM 834 CG1 VAL A 60 -10.081 6.361 3.690 1.00 0.00 C ATOM 835 CG2 VAL A 60 -7.991 6.198 2.249 1.00 0.00 C ATOM 0 H VAL A 60 -7.918 3.125 2.390 1.00 0.00 H new ATOM 0 HA VAL A 60 -8.192 4.930 4.749 1.00 0.00 H new ATOM 0 HB VAL A 60 -9.718 4.908 2.179 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -10.484 7.097 2.994 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -10.899 5.786 4.124 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -9.536 6.872 4.484 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -8.418 6.945 1.580 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -7.378 6.693 3.002 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -7.373 5.508 1.675 1.00 0.00 H new