USER MOD reduce.3.24.130724 H: found=0, std=0, add=260, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 261 hydrogens (2 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 25 SER OG : rot 123:sc= 0.0352 USER MOD Set 1.2: A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 GLU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 171:sc=-0.00799 (180deg=-0.0462) USER MOD Single : A 10 ASN : amide:sc= -1.21 X(o=-1.2,f=-1) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= -0.22 K(o=-0.22,f=-1.3) USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=-0.0018) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -1.33 K(o=-1.3,f=-4!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 HIS : no HD1:sc= 0 X(o=0,f=-0.048) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -7.909 9.831 -5.640 1.00 0.00 N ATOM 2 CA GLU A 1 -7.113 8.858 -6.447 1.00 0.00 C ATOM 3 C GLU A 1 -6.294 7.951 -5.520 1.00 0.00 C ATOM 4 O GLU A 1 -5.392 8.400 -4.837 1.00 0.00 O ATOM 5 CB GLU A 1 -6.187 9.715 -7.318 1.00 0.00 C ATOM 6 CG GLU A 1 -6.767 9.827 -8.733 1.00 0.00 C ATOM 7 CD GLU A 1 -7.608 11.101 -8.845 1.00 0.00 C ATOM 8 OE1 GLU A 1 -7.048 12.130 -9.187 1.00 0.00 O ATOM 9 OE2 GLU A 1 -8.799 11.026 -8.588 1.00 0.00 O ATOM 0 H1 GLU A 1 -8.460 10.441 -6.277 1.00 0.00 H new ATOM 0 H2 GLU A 1 -8.555 9.313 -5.011 1.00 0.00 H new ATOM 0 H3 GLU A 1 -7.266 10.417 -5.070 1.00 0.00 H new ATOM 0 HA GLU A 1 -7.747 8.209 -7.051 1.00 0.00 H new ATOM 0 HB2 GLU A 1 -6.076 10.707 -6.881 1.00 0.00 H new ATOM 0 HB3 GLU A 1 -5.193 9.270 -7.356 1.00 0.00 H new ATOM 0 HG2 GLU A 1 -5.961 9.846 -9.467 1.00 0.00 H new ATOM 0 HG3 GLU A 1 -7.380 8.954 -8.956 1.00 0.00 H new ATOM 18 N CYS A 2 -6.604 6.678 -5.493 1.00 0.00 N ATOM 19 CA CYS A 2 -5.847 5.736 -4.612 1.00 0.00 C ATOM 20 C CYS A 2 -4.899 4.866 -5.448 1.00 0.00 C ATOM 21 O CYS A 2 -4.954 4.862 -6.664 1.00 0.00 O ATOM 22 CB CYS A 2 -6.916 4.873 -3.930 1.00 0.00 C ATOM 23 SG CYS A 2 -7.594 3.682 -5.115 1.00 0.00 S ATOM 0 H CYS A 2 -7.349 6.251 -6.043 1.00 0.00 H new ATOM 0 HA CYS A 2 -5.229 6.263 -3.885 1.00 0.00 H new ATOM 0 HB2 CYS A 2 -6.483 4.347 -3.079 1.00 0.00 H new ATOM 0 HB3 CYS A 2 -7.713 5.506 -3.541 1.00 0.00 H new ATOM 28 N LEU A 3 -4.033 4.130 -4.799 1.00 0.00 N ATOM 29 CA LEU A 3 -3.078 3.255 -5.546 1.00 0.00 C ATOM 30 C LEU A 3 -3.586 1.808 -5.554 1.00 0.00 C ATOM 31 O LEU A 3 -4.258 1.372 -4.637 1.00 0.00 O ATOM 32 CB LEU A 3 -1.752 3.357 -4.783 1.00 0.00 C ATOM 33 CG LEU A 3 -1.271 4.814 -4.764 1.00 0.00 C ATOM 34 CD1 LEU A 3 -0.114 4.958 -3.774 1.00 0.00 C ATOM 35 CD2 LEU A 3 -0.795 5.218 -6.163 1.00 0.00 C ATOM 0 H LEU A 3 -3.946 4.097 -3.783 1.00 0.00 H new ATOM 0 HA LEU A 3 -2.968 3.561 -6.586 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -1.880 2.994 -3.763 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -1.001 2.723 -5.255 1.00 0.00 H new ATOM 0 HG LEU A 3 -2.094 5.460 -4.460 1.00 0.00 H new ATOM 0 HD11 LEU A 3 0.227 5.993 -3.761 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -0.451 4.674 -2.777 1.00 0.00 H new ATOM 0 HD13 LEU A 3 0.707 4.309 -4.078 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -0.454 6.253 -6.146 1.00 0.00 H new ATOM 0 HD22 LEU A 3 0.026 4.570 -6.469 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -1.618 5.118 -6.870 1.00 0.00 H new ATOM 47 N GLY A 4 -3.271 1.064 -6.585 1.00 0.00 N ATOM 48 CA GLY A 4 -3.734 -0.355 -6.661 1.00 0.00 C ATOM 49 C GLY A 4 -2.718 -1.271 -5.972 1.00 0.00 C ATOM 50 O GLY A 4 -1.783 -0.815 -5.341 1.00 0.00 O ATOM 0 H GLY A 4 -2.712 1.379 -7.378 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -4.709 -0.455 -6.184 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -3.857 -0.652 -7.703 1.00 0.00 H new ATOM 54 N PHE A 5 -2.897 -2.564 -6.092 1.00 0.00 N ATOM 55 CA PHE A 5 -1.944 -3.522 -5.449 1.00 0.00 C ATOM 56 C PHE A 5 -0.639 -3.588 -6.253 1.00 0.00 C ATOM 57 O PHE A 5 -0.645 -3.537 -7.469 1.00 0.00 O ATOM 58 CB PHE A 5 -2.665 -4.876 -5.466 1.00 0.00 C ATOM 59 CG PHE A 5 -1.710 -5.972 -5.050 1.00 0.00 C ATOM 60 CD1 PHE A 5 -1.335 -6.108 -3.707 1.00 0.00 C ATOM 61 CD2 PHE A 5 -1.197 -6.853 -6.011 1.00 0.00 C ATOM 62 CE1 PHE A 5 -0.449 -7.123 -3.328 1.00 0.00 C ATOM 63 CE2 PHE A 5 -0.312 -7.867 -5.630 1.00 0.00 C ATOM 64 CZ PHE A 5 0.062 -8.002 -4.288 1.00 0.00 C ATOM 0 H PHE A 5 -3.663 -2.998 -6.608 1.00 0.00 H new ATOM 0 HA PHE A 5 -1.675 -3.222 -4.436 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -3.520 -4.851 -4.791 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -3.053 -5.079 -6.464 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -1.729 -5.430 -2.965 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -1.485 -6.749 -7.047 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -0.160 -7.227 -2.293 1.00 0.00 H new ATOM 0 HE2 PHE A 5 0.083 -8.546 -6.371 1.00 0.00 H new ATOM 0 HZ PHE A 5 0.745 -8.785 -3.994 1.00 0.00 H new ATOM 74 N GLY A 6 0.477 -3.699 -5.576 1.00 0.00 N ATOM 75 CA GLY A 6 1.791 -3.765 -6.283 1.00 0.00 C ATOM 76 C GLY A 6 2.116 -2.402 -6.907 1.00 0.00 C ATOM 77 O GLY A 6 2.741 -2.323 -7.948 1.00 0.00 O ATOM 0 H GLY A 6 0.533 -3.747 -4.559 1.00 0.00 H new ATOM 0 HA2 GLY A 6 2.576 -4.051 -5.583 1.00 0.00 H new ATOM 0 HA3 GLY A 6 1.759 -4.531 -7.058 1.00 0.00 H new ATOM 81 N LYS A 7 1.697 -1.332 -6.276 1.00 0.00 N ATOM 82 CA LYS A 7 1.977 0.030 -6.820 1.00 0.00 C ATOM 83 C LYS A 7 3.014 0.737 -5.940 1.00 0.00 C ATOM 84 O LYS A 7 2.900 0.752 -4.729 1.00 0.00 O ATOM 85 CB LYS A 7 0.630 0.760 -6.770 1.00 0.00 C ATOM 86 CG LYS A 7 0.805 2.218 -7.209 1.00 0.00 C ATOM 87 CD LYS A 7 1.183 2.272 -8.692 1.00 0.00 C ATOM 88 CE LYS A 7 1.658 3.685 -9.050 1.00 0.00 C ATOM 89 NZ LYS A 7 3.098 3.727 -8.660 1.00 0.00 N ATOM 0 H LYS A 7 1.170 -1.346 -5.403 1.00 0.00 H new ATOM 0 HA LYS A 7 2.383 0.004 -7.831 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -0.088 0.260 -7.420 1.00 0.00 H new ATOM 0 HB3 LYS A 7 0.224 0.723 -5.759 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -0.118 2.772 -7.039 1.00 0.00 H new ATOM 0 HG3 LYS A 7 1.579 2.697 -6.609 1.00 0.00 H new ATOM 0 HD2 LYS A 7 1.970 1.548 -8.904 1.00 0.00 H new ATOM 0 HD3 LYS A 7 0.325 1.999 -9.307 1.00 0.00 H new ATOM 0 HE2 LYS A 7 1.533 3.884 -10.114 1.00 0.00 H new ATOM 0 HE3 LYS A 7 1.083 4.441 -8.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 3.528 4.606 -9.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 3.178 3.694 -7.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 3.593 2.910 -9.071 1.00 0.00 H new ATOM 103 N GLY A 8 4.023 1.319 -6.544 1.00 0.00 N ATOM 104 CA GLY A 8 5.077 2.026 -5.754 1.00 0.00 C ATOM 105 C GLY A 8 4.438 3.113 -4.884 1.00 0.00 C ATOM 106 O GLY A 8 3.922 4.095 -5.383 1.00 0.00 O ATOM 0 H GLY A 8 4.161 1.334 -7.555 1.00 0.00 H new ATOM 0 HA2 GLY A 8 5.612 1.313 -5.126 1.00 0.00 H new ATOM 0 HA3 GLY A 8 5.810 2.471 -6.427 1.00 0.00 H new ATOM 110 N CYS A 9 4.471 2.941 -3.584 1.00 0.00 N ATOM 111 CA CYS A 9 3.869 3.959 -2.670 1.00 0.00 C ATOM 112 C CYS A 9 4.721 4.108 -1.402 1.00 0.00 C ATOM 113 O CYS A 9 5.555 3.274 -1.100 1.00 0.00 O ATOM 114 CB CYS A 9 2.474 3.419 -2.330 1.00 0.00 C ATOM 115 SG CYS A 9 2.608 2.059 -1.140 1.00 0.00 S ATOM 0 H CYS A 9 4.890 2.137 -3.117 1.00 0.00 H new ATOM 0 HA CYS A 9 3.818 4.946 -3.130 1.00 0.00 H new ATOM 0 HB2 CYS A 9 1.858 4.217 -1.915 1.00 0.00 H new ATOM 0 HB3 CYS A 9 1.979 3.072 -3.237 1.00 0.00 H new ATOM 120 N ASN A 10 4.513 5.167 -0.659 1.00 0.00 N ATOM 121 CA ASN A 10 5.305 5.380 0.591 1.00 0.00 C ATOM 122 C ASN A 10 4.525 4.862 1.806 1.00 0.00 C ATOM 123 O ASN A 10 3.329 5.052 1.895 1.00 0.00 O ATOM 124 CB ASN A 10 5.503 6.896 0.684 1.00 0.00 C ATOM 125 CG ASN A 10 6.795 7.198 1.449 1.00 0.00 C ATOM 126 OD1 ASN A 10 7.866 6.792 1.041 1.00 0.00 O ATOM 127 ND2 ASN A 10 6.741 7.899 2.548 1.00 0.00 N ATOM 0 H ASN A 10 3.828 5.894 -0.865 1.00 0.00 H new ATOM 0 HA ASN A 10 6.256 4.847 0.574 1.00 0.00 H new ATOM 0 HB2 ASN A 10 5.550 7.329 -0.315 1.00 0.00 H new ATOM 0 HB3 ASN A 10 4.653 7.354 1.190 1.00 0.00 H new ATOM 0 HD21 ASN A 10 7.596 8.106 3.064 1.00 0.00 H new ATOM 0 HD22 ASN A 10 5.843 8.240 2.892 1.00 0.00 H new ATOM 134 N PRO A 11 5.233 4.222 2.708 1.00 0.00 N ATOM 135 CA PRO A 11 4.592 3.672 3.933 1.00 0.00 C ATOM 136 C PRO A 11 4.162 4.798 4.886 1.00 0.00 C ATOM 137 O PRO A 11 3.167 4.683 5.577 1.00 0.00 O ATOM 138 CB PRO A 11 5.690 2.812 4.557 1.00 0.00 C ATOM 139 CG PRO A 11 6.970 3.387 4.042 1.00 0.00 C ATOM 140 CD PRO A 11 6.678 3.951 2.677 1.00 0.00 C ATOM 0 HA PRO A 11 3.684 3.109 3.719 1.00 0.00 H new ATOM 0 HB2 PRO A 11 5.650 2.849 5.646 1.00 0.00 H new ATOM 0 HB3 PRO A 11 5.583 1.766 4.270 1.00 0.00 H new ATOM 0 HG2 PRO A 11 7.340 4.165 4.710 1.00 0.00 H new ATOM 0 HG3 PRO A 11 7.743 2.620 3.986 1.00 0.00 H new ATOM 0 HD2 PRO A 11 7.251 4.859 2.489 1.00 0.00 H new ATOM 0 HD3 PRO A 11 6.935 3.243 1.889 1.00 0.00 H new ATOM 148 N SER A 12 4.901 5.884 4.927 1.00 0.00 N ATOM 149 CA SER A 12 4.529 7.014 5.836 1.00 0.00 C ATOM 150 C SER A 12 3.224 7.671 5.369 1.00 0.00 C ATOM 151 O SER A 12 2.348 7.955 6.164 1.00 0.00 O ATOM 152 CB SER A 12 5.690 8.006 5.748 1.00 0.00 C ATOM 153 OG SER A 12 5.615 8.914 6.839 1.00 0.00 O ATOM 0 H SER A 12 5.743 6.035 4.371 1.00 0.00 H new ATOM 0 HA SER A 12 4.364 6.674 6.858 1.00 0.00 H new ATOM 0 HB2 SER A 12 6.641 7.473 5.768 1.00 0.00 H new ATOM 0 HB3 SER A 12 5.649 8.549 4.804 1.00 0.00 H new ATOM 0 HG SER A 12 6.359 9.550 6.787 1.00 0.00 H new ATOM 159 N ASN A 13 3.087 7.909 4.086 1.00 0.00 N ATOM 160 CA ASN A 13 1.835 8.543 3.566 1.00 0.00 C ATOM 161 C ASN A 13 0.744 7.483 3.380 1.00 0.00 C ATOM 162 O ASN A 13 -0.389 7.675 3.780 1.00 0.00 O ATOM 163 CB ASN A 13 2.223 9.161 2.217 1.00 0.00 C ATOM 164 CG ASN A 13 1.335 10.378 1.931 1.00 0.00 C ATOM 165 OD1 ASN A 13 0.124 10.276 1.936 1.00 0.00 O ATOM 166 ND2 ASN A 13 1.889 11.533 1.678 1.00 0.00 N ATOM 0 H ASN A 13 3.788 7.692 3.378 1.00 0.00 H new ATOM 0 HA ASN A 13 1.438 9.291 4.252 1.00 0.00 H new ATOM 0 HB2 ASN A 13 3.271 9.459 2.231 1.00 0.00 H new ATOM 0 HB3 ASN A 13 2.112 8.423 1.423 1.00 0.00 H new ATOM 0 HD21 ASN A 13 1.306 12.347 1.485 1.00 0.00 H new ATOM 0 HD22 ASN A 13 2.905 11.621 1.673 1.00 0.00 H new ATOM 173 N ASP A 14 1.087 6.368 2.780 1.00 0.00 N ATOM 174 CA ASP A 14 0.093 5.269 2.552 1.00 0.00 C ATOM 175 C ASP A 14 -1.127 5.795 1.780 1.00 0.00 C ATOM 176 O ASP A 14 -2.148 6.127 2.356 1.00 0.00 O ATOM 177 CB ASP A 14 -0.303 4.783 3.953 1.00 0.00 C ATOM 178 CG ASP A 14 -0.410 3.256 3.956 1.00 0.00 C ATOM 179 OD1 ASP A 14 -1.367 2.746 3.397 1.00 0.00 O ATOM 180 OD2 ASP A 14 0.468 2.622 4.518 1.00 0.00 O ATOM 0 H ASP A 14 2.026 6.170 2.434 1.00 0.00 H new ATOM 0 HA ASP A 14 0.508 4.459 1.952 1.00 0.00 H new ATOM 0 HB2 ASP A 14 0.438 5.107 4.684 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -1.255 5.225 4.247 1.00 0.00 H new ATOM 185 N GLN A 15 -1.025 5.873 0.475 1.00 0.00 N ATOM 186 CA GLN A 15 -2.171 6.377 -0.345 1.00 0.00 C ATOM 187 C GLN A 15 -2.768 5.245 -1.194 1.00 0.00 C ATOM 188 O GLN A 15 -3.183 5.454 -2.318 1.00 0.00 O ATOM 189 CB GLN A 15 -1.569 7.466 -1.238 1.00 0.00 C ATOM 190 CG GLN A 15 -1.479 8.779 -0.455 1.00 0.00 C ATOM 191 CD GLN A 15 -1.295 9.947 -1.428 1.00 0.00 C ATOM 192 OE1 GLN A 15 -2.197 10.284 -2.168 1.00 0.00 O ATOM 193 NE2 GLN A 15 -0.156 10.585 -1.457 1.00 0.00 N ATOM 0 H GLN A 15 -0.196 5.609 -0.058 1.00 0.00 H new ATOM 0 HA GLN A 15 -2.982 6.759 0.274 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -0.578 7.165 -1.579 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -2.184 7.602 -2.128 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -2.383 8.924 0.136 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -0.644 8.740 0.244 1.00 0.00 H new ATOM 0 HE21 GLN A 15 0.602 10.303 -0.836 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -0.025 11.365 -2.101 1.00 0.00 H new ATOM 202 N CYS A 16 -2.824 4.047 -0.660 1.00 0.00 N ATOM 203 CA CYS A 16 -3.403 2.907 -1.436 1.00 0.00 C ATOM 204 C CYS A 16 -4.923 2.850 -1.243 1.00 0.00 C ATOM 205 O CYS A 16 -5.480 3.541 -0.410 1.00 0.00 O ATOM 206 CB CYS A 16 -2.739 1.652 -0.867 1.00 0.00 C ATOM 207 SG CYS A 16 -2.578 0.415 -2.177 1.00 0.00 S ATOM 0 H CYS A 16 -2.495 3.812 0.276 1.00 0.00 H new ATOM 0 HA CYS A 16 -3.224 3.007 -2.506 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -1.758 1.898 -0.461 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -3.333 1.253 -0.045 1.00 0.00 H new ATOM 212 N CYS A 17 -5.597 2.030 -2.012 1.00 0.00 N ATOM 213 CA CYS A 17 -7.083 1.924 -1.881 1.00 0.00 C ATOM 214 C CYS A 17 -7.451 1.005 -0.710 1.00 0.00 C ATOM 215 O CYS A 17 -6.985 -0.117 -0.616 1.00 0.00 O ATOM 216 CB CYS A 17 -7.562 1.328 -3.209 1.00 0.00 C ATOM 217 SG CYS A 17 -8.742 2.460 -3.987 1.00 0.00 S ATOM 0 H CYS A 17 -5.182 1.430 -2.725 1.00 0.00 H new ATOM 0 HA CYS A 17 -7.547 2.890 -1.680 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -6.713 1.159 -3.871 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -8.030 0.359 -3.037 1.00 0.00 H new ATOM 222 N LYS A 18 -8.287 1.476 0.182 1.00 0.00 N ATOM 223 CA LYS A 18 -8.698 0.639 1.353 1.00 0.00 C ATOM 224 C LYS A 18 -9.798 -0.355 0.948 1.00 0.00 C ATOM 225 O LYS A 18 -9.990 -1.369 1.593 1.00 0.00 O ATOM 226 CB LYS A 18 -9.232 1.632 2.390 1.00 0.00 C ATOM 227 CG LYS A 18 -8.059 2.309 3.105 1.00 0.00 C ATOM 228 CD LYS A 18 -8.423 3.762 3.427 1.00 0.00 C ATOM 229 CE LYS A 18 -8.371 3.983 4.943 1.00 0.00 C ATOM 230 NZ LYS A 18 -9.780 3.829 5.410 1.00 0.00 N ATOM 0 H LYS A 18 -8.704 2.406 0.150 1.00 0.00 H new ATOM 0 HA LYS A 18 -7.867 0.049 1.741 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -9.856 2.382 1.903 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -9.862 1.114 3.113 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -7.820 1.771 4.023 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -7.169 2.277 2.476 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -7.731 4.440 2.927 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -9.420 3.989 3.050 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -7.715 3.257 5.424 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -7.982 4.973 5.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -9.821 3.967 6.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -10.380 4.537 4.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -10.121 2.875 5.175 1.00 0.00 H new ATOM 244 N SER A 19 -10.519 -0.072 -0.114 1.00 0.00 N ATOM 245 CA SER A 19 -11.607 -0.998 -0.563 1.00 0.00 C ATOM 246 C SER A 19 -11.032 -2.377 -0.920 1.00 0.00 C ATOM 247 O SER A 19 -11.664 -3.393 -0.700 1.00 0.00 O ATOM 248 CB SER A 19 -12.211 -0.335 -1.803 1.00 0.00 C ATOM 249 OG SER A 19 -13.453 -0.955 -2.112 1.00 0.00 O ATOM 0 H SER A 19 -10.399 0.762 -0.689 1.00 0.00 H new ATOM 0 HA SER A 19 -12.350 -1.160 0.218 1.00 0.00 H new ATOM 0 HB2 SER A 19 -12.358 0.730 -1.624 1.00 0.00 H new ATOM 0 HB3 SER A 19 -11.527 -0.425 -2.647 1.00 0.00 H new ATOM 0 HG SER A 19 -13.842 -0.531 -2.905 1.00 0.00 H new ATOM 255 N SER A 20 -9.839 -2.420 -1.467 1.00 0.00 N ATOM 256 CA SER A 20 -9.226 -3.734 -1.836 1.00 0.00 C ATOM 257 C SER A 20 -8.236 -4.201 -0.755 1.00 0.00 C ATOM 258 O SER A 20 -7.418 -5.069 -0.997 1.00 0.00 O ATOM 259 CB SER A 20 -8.497 -3.478 -3.158 1.00 0.00 C ATOM 260 OG SER A 20 -9.247 -4.045 -4.224 1.00 0.00 O ATOM 0 H SER A 20 -9.265 -1.602 -1.673 1.00 0.00 H new ATOM 0 HA SER A 20 -9.977 -4.519 -1.927 1.00 0.00 H new ATOM 0 HB2 SER A 20 -8.371 -2.407 -3.316 1.00 0.00 H new ATOM 0 HB3 SER A 20 -7.499 -3.915 -3.127 1.00 0.00 H new ATOM 0 HG SER A 20 -8.784 -3.882 -5.072 1.00 0.00 H new ATOM 266 N ASN A 21 -8.308 -3.641 0.435 1.00 0.00 N ATOM 267 CA ASN A 21 -7.378 -4.056 1.535 1.00 0.00 C ATOM 268 C ASN A 21 -5.915 -3.955 1.072 1.00 0.00 C ATOM 269 O ASN A 21 -5.210 -4.945 0.984 1.00 0.00 O ATOM 270 CB ASN A 21 -7.760 -5.509 1.848 1.00 0.00 C ATOM 271 CG ASN A 21 -7.544 -5.796 3.336 1.00 0.00 C ATOM 272 OD1 ASN A 21 -6.901 -6.764 3.686 1.00 0.00 O ATOM 273 ND2 ASN A 21 -8.060 -4.997 4.231 1.00 0.00 N ATOM 0 H ASN A 21 -8.974 -2.912 0.690 1.00 0.00 H new ATOM 0 HA ASN A 21 -7.465 -3.417 2.414 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -8.802 -5.685 1.582 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -7.158 -6.190 1.246 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -7.923 -5.187 5.224 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -8.600 -4.183 3.937 1.00 0.00 H new ATOM 280 N LEU A 22 -5.459 -2.763 0.772 1.00 0.00 N ATOM 281 CA LEU A 22 -4.047 -2.592 0.310 1.00 0.00 C ATOM 282 C LEU A 22 -3.303 -1.599 1.207 1.00 0.00 C ATOM 283 O LEU A 22 -3.813 -0.543 1.537 1.00 0.00 O ATOM 284 CB LEU A 22 -4.149 -2.041 -1.115 1.00 0.00 C ATOM 285 CG LEU A 22 -4.891 -3.035 -2.010 1.00 0.00 C ATOM 286 CD1 LEU A 22 -5.220 -2.368 -3.347 1.00 0.00 C ATOM 287 CD2 LEU A 22 -4.009 -4.263 -2.257 1.00 0.00 C ATOM 0 H LEU A 22 -6.003 -1.902 0.827 1.00 0.00 H new ATOM 0 HA LEU A 22 -3.496 -3.531 0.348 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -4.673 -1.085 -1.107 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -3.152 -1.855 -1.514 1.00 0.00 H new ATOM 0 HG LEU A 22 -5.814 -3.345 -1.519 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -5.749 -3.075 -3.986 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -5.849 -1.495 -3.173 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -4.296 -2.058 -3.836 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -4.540 -4.970 -2.895 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -3.085 -3.955 -2.747 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -3.774 -4.739 -1.305 1.00 0.00 H new ATOM 299 N VAL A 23 -2.096 -1.928 1.593 1.00 0.00 N ATOM 300 CA VAL A 23 -1.298 -1.006 2.462 1.00 0.00 C ATOM 301 C VAL A 23 0.117 -0.858 1.889 1.00 0.00 C ATOM 302 O VAL A 23 0.567 -1.677 1.112 1.00 0.00 O ATOM 303 CB VAL A 23 -1.251 -1.668 3.848 1.00 0.00 C ATOM 304 CG1 VAL A 23 -0.841 -0.628 4.895 1.00 0.00 C ATOM 305 CG2 VAL A 23 -2.631 -2.231 4.214 1.00 0.00 C ATOM 0 H VAL A 23 -1.626 -2.798 1.343 1.00 0.00 H new ATOM 0 HA VAL A 23 -1.738 -0.010 2.517 1.00 0.00 H new ATOM 0 HB VAL A 23 -0.526 -2.482 3.826 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -0.807 -1.096 5.879 1.00 0.00 H new ATOM 0 HG12 VAL A 23 0.144 -0.231 4.648 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -1.567 0.185 4.905 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -2.584 -2.697 5.198 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -3.361 -1.422 4.230 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -2.929 -2.974 3.474 1.00 0.00 H new ATOM 315 N CYS A 24 0.823 0.178 2.265 1.00 0.00 N ATOM 316 CA CYS A 24 2.210 0.372 1.734 1.00 0.00 C ATOM 317 C CYS A 24 3.214 -0.459 2.539 1.00 0.00 C ATOM 318 O CYS A 24 3.089 -0.609 3.741 1.00 0.00 O ATOM 319 CB CYS A 24 2.499 1.868 1.881 1.00 0.00 C ATOM 320 SG CYS A 24 1.706 2.768 0.524 1.00 0.00 S ATOM 0 H CYS A 24 0.502 0.896 2.914 1.00 0.00 H new ATOM 0 HA CYS A 24 2.297 0.048 0.697 1.00 0.00 H new ATOM 0 HB2 CYS A 24 2.126 2.230 2.839 1.00 0.00 H new ATOM 0 HB3 CYS A 24 3.574 2.045 1.870 1.00 0.00 H new ATOM 325 N SER A 25 4.207 -1.005 1.879 1.00 0.00 N ATOM 326 CA SER A 25 5.225 -1.837 2.592 1.00 0.00 C ATOM 327 C SER A 25 6.509 -1.034 2.831 1.00 0.00 C ATOM 328 O SER A 25 6.641 0.094 2.393 1.00 0.00 O ATOM 329 CB SER A 25 5.501 -3.015 1.656 1.00 0.00 C ATOM 330 OG SER A 25 4.310 -3.775 1.491 1.00 0.00 O ATOM 0 H SER A 25 4.356 -0.909 0.874 1.00 0.00 H new ATOM 0 HA SER A 25 4.871 -2.162 3.570 1.00 0.00 H new ATOM 0 HB2 SER A 25 5.851 -2.652 0.690 1.00 0.00 H new ATOM 0 HB3 SER A 25 6.292 -3.642 2.066 1.00 0.00 H new ATOM 0 HG SER A 25 4.087 -3.831 0.538 1.00 0.00 H new ATOM 336 N ARG A 26 7.457 -1.617 3.523 1.00 0.00 N ATOM 337 CA ARG A 26 8.744 -0.907 3.799 1.00 0.00 C ATOM 338 C ARG A 26 9.857 -1.467 2.906 1.00 0.00 C ATOM 339 O ARG A 26 10.552 -0.728 2.237 1.00 0.00 O ATOM 340 CB ARG A 26 9.046 -1.188 5.274 1.00 0.00 C ATOM 341 CG ARG A 26 10.016 -0.131 5.811 1.00 0.00 C ATOM 342 CD ARG A 26 11.460 -0.587 5.574 1.00 0.00 C ATOM 343 NE ARG A 26 11.933 -1.089 6.896 1.00 0.00 N ATOM 344 CZ ARG A 26 12.431 -0.257 7.775 1.00 0.00 C ATOM 345 NH1 ARG A 26 13.590 0.309 7.557 1.00 0.00 N ATOM 346 NH2 ARG A 26 11.769 0.006 8.871 1.00 0.00 N ATOM 0 H ARG A 26 7.394 -2.559 3.910 1.00 0.00 H new ATOM 0 HA ARG A 26 8.679 0.162 3.594 1.00 0.00 H new ATOM 0 HB2 ARG A 26 8.123 -1.176 5.853 1.00 0.00 H new ATOM 0 HB3 ARG A 26 9.479 -2.182 5.384 1.00 0.00 H new ATOM 0 HG2 ARG A 26 9.840 0.824 5.315 1.00 0.00 H new ATOM 0 HG3 ARG A 26 9.844 0.027 6.876 1.00 0.00 H new ATOM 0 HD2 ARG A 26 11.507 -1.369 4.816 1.00 0.00 H new ATOM 0 HD3 ARG A 26 12.080 0.237 5.221 1.00 0.00 H new ATOM 0 HE ARG A 26 11.868 -2.083 7.116 1.00 0.00 H new ATOM 0 HH11 ARG A 26 14.106 0.102 6.702 1.00 0.00 H new ATOM 0 HH12 ARG A 26 13.978 0.957 8.242 1.00 0.00 H new ATOM 0 HH21 ARG A 26 10.866 -0.437 9.040 1.00 0.00 H new ATOM 0 HH22 ARG A 26 12.156 0.654 9.557 1.00 0.00 H new ATOM 360 N LYS A 27 10.028 -2.767 2.893 1.00 0.00 N ATOM 361 CA LYS A 27 11.095 -3.383 2.043 1.00 0.00 C ATOM 362 C LYS A 27 10.725 -3.270 0.560 1.00 0.00 C ATOM 363 O LYS A 27 11.558 -2.968 -0.274 1.00 0.00 O ATOM 364 CB LYS A 27 11.149 -4.853 2.467 1.00 0.00 C ATOM 365 CG LYS A 27 12.102 -5.013 3.654 1.00 0.00 C ATOM 366 CD LYS A 27 12.961 -6.265 3.459 1.00 0.00 C ATOM 367 CE LYS A 27 12.147 -7.512 3.827 1.00 0.00 C ATOM 368 NZ LYS A 27 11.957 -8.250 2.544 1.00 0.00 N ATOM 0 H LYS A 27 9.473 -3.429 3.436 1.00 0.00 H new ATOM 0 HA LYS A 27 12.057 -2.886 2.171 1.00 0.00 H new ATOM 0 HB2 LYS A 27 10.152 -5.200 2.739 1.00 0.00 H new ATOM 0 HB3 LYS A 27 11.484 -5.470 1.633 1.00 0.00 H new ATOM 0 HG2 LYS A 27 12.739 -4.133 3.743 1.00 0.00 H new ATOM 0 HG3 LYS A 27 11.534 -5.090 4.581 1.00 0.00 H new ATOM 0 HD2 LYS A 27 13.297 -6.330 2.424 1.00 0.00 H new ATOM 0 HD3 LYS A 27 13.854 -6.205 4.081 1.00 0.00 H new ATOM 0 HE2 LYS A 27 12.674 -8.124 4.559 1.00 0.00 H new ATOM 0 HE3 LYS A 27 11.189 -7.240 4.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 11.408 -9.115 2.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 11.446 -7.646 1.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 12.885 -8.503 2.148 1.00 0.00 H new ATOM 382 N HIS A 28 9.481 -3.510 0.228 1.00 0.00 N ATOM 383 CA HIS A 28 9.047 -3.417 -1.201 1.00 0.00 C ATOM 384 C HIS A 28 8.576 -1.994 -1.535 1.00 0.00 C ATOM 385 O HIS A 28 8.526 -1.612 -2.690 1.00 0.00 O ATOM 386 CB HIS A 28 7.887 -4.409 -1.334 1.00 0.00 C ATOM 387 CG HIS A 28 8.381 -5.809 -1.078 1.00 0.00 C ATOM 388 ND1 HIS A 28 9.509 -6.322 -1.701 1.00 0.00 N ATOM 389 CD2 HIS A 28 7.913 -6.811 -0.266 1.00 0.00 C ATOM 390 CE1 HIS A 28 9.679 -7.580 -1.257 1.00 0.00 C ATOM 391 NE2 HIS A 28 8.733 -7.929 -0.380 1.00 0.00 N ATOM 0 H HIS A 28 8.745 -3.767 0.886 1.00 0.00 H new ATOM 0 HA HIS A 28 9.863 -3.646 -1.887 1.00 0.00 H new ATOM 0 HB2 HIS A 28 7.098 -4.157 -0.626 1.00 0.00 H new ATOM 0 HB3 HIS A 28 7.453 -4.343 -2.332 1.00 0.00 H new ATOM 0 HD2 HIS A 28 7.040 -6.742 0.366 1.00 0.00 H new ATOM 0 HE1 HIS A 28 10.483 -8.230 -1.571 1.00 0.00 H new ATOM 0 HE2 HIS A 28 8.634 -8.822 0.102 1.00 0.00 H new ATOM 399 N ARG A 29 8.226 -1.210 -0.534 1.00 0.00 N ATOM 400 CA ARG A 29 7.750 0.191 -0.782 1.00 0.00 C ATOM 401 C ARG A 29 6.612 0.193 -1.815 1.00 0.00 C ATOM 402 O ARG A 29 6.605 0.976 -2.747 1.00 0.00 O ATOM 403 CB ARG A 29 8.976 0.953 -1.307 1.00 0.00 C ATOM 404 CG ARG A 29 9.843 1.402 -0.127 1.00 0.00 C ATOM 405 CD ARG A 29 11.306 1.513 -0.571 1.00 0.00 C ATOM 406 NE ARG A 29 11.855 0.131 -0.460 1.00 0.00 N ATOM 407 CZ ARG A 29 13.069 -0.057 -0.011 1.00 0.00 C ATOM 408 NH1 ARG A 29 14.097 0.221 -0.769 1.00 0.00 N ATOM 409 NH2 ARG A 29 13.252 -0.524 1.196 1.00 0.00 N ATOM 0 H ARG A 29 8.251 -1.485 0.448 1.00 0.00 H new ATOM 0 HA ARG A 29 7.351 0.655 0.120 1.00 0.00 H new ATOM 0 HB2 ARG A 29 9.555 0.315 -1.975 1.00 0.00 H new ATOM 0 HB3 ARG A 29 8.658 1.818 -1.888 1.00 0.00 H new ATOM 0 HG2 ARG A 29 9.493 2.364 0.248 1.00 0.00 H new ATOM 0 HG3 ARG A 29 9.755 0.689 0.693 1.00 0.00 H new ATOM 0 HD2 ARG A 29 11.380 1.885 -1.593 1.00 0.00 H new ATOM 0 HD3 ARG A 29 11.858 2.208 0.062 1.00 0.00 H new ATOM 0 HE ARG A 29 11.284 -0.668 -0.734 1.00 0.00 H new ATOM 0 HH11 ARG A 29 13.953 0.585 -1.711 1.00 0.00 H new ATOM 0 HH12 ARG A 29 15.044 0.074 -0.419 1.00 0.00 H new ATOM 0 HH21 ARG A 29 12.449 -0.741 1.786 1.00 0.00 H new ATOM 0 HH22 ARG A 29 14.198 -0.671 1.548 1.00 0.00 H new ATOM 423 N TRP A 30 5.651 -0.684 -1.651 1.00 0.00 N ATOM 424 CA TRP A 30 4.508 -0.745 -2.616 1.00 0.00 C ATOM 425 C TRP A 30 3.221 -1.192 -1.906 1.00 0.00 C ATOM 426 O TRP A 30 3.198 -1.382 -0.705 1.00 0.00 O ATOM 427 CB TRP A 30 4.942 -1.754 -3.700 1.00 0.00 C ATOM 428 CG TRP A 30 4.874 -3.178 -3.208 1.00 0.00 C ATOM 429 CD1 TRP A 30 4.804 -3.575 -1.912 1.00 0.00 C ATOM 430 CD2 TRP A 30 4.879 -4.401 -4.001 1.00 0.00 C ATOM 431 NE1 TRP A 30 4.759 -4.956 -1.866 1.00 0.00 N ATOM 432 CE2 TRP A 30 4.804 -5.511 -3.127 1.00 0.00 C ATOM 433 CE3 TRP A 30 4.939 -4.650 -5.384 1.00 0.00 C ATOM 434 CZ2 TRP A 30 4.789 -6.821 -3.607 1.00 0.00 C ATOM 435 CZ3 TRP A 30 4.925 -5.967 -5.871 1.00 0.00 C ATOM 436 CH2 TRP A 30 4.850 -7.050 -4.984 1.00 0.00 C ATOM 0 H TRP A 30 5.609 -1.361 -0.889 1.00 0.00 H new ATOM 0 HA TRP A 30 4.285 0.229 -3.052 1.00 0.00 H new ATOM 0 HB2 TRP A 30 4.303 -1.642 -4.576 1.00 0.00 H new ATOM 0 HB3 TRP A 30 5.960 -1.529 -4.018 1.00 0.00 H new ATOM 0 HD1 TRP A 30 4.786 -2.918 -1.055 1.00 0.00 H new ATOM 0 HE1 TRP A 30 4.700 -5.498 -1.004 1.00 0.00 H new ATOM 0 HE3 TRP A 30 4.996 -3.823 -6.076 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 4.731 -7.652 -2.919 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 4.972 -6.147 -6.935 1.00 0.00 H new ATOM 0 HH2 TRP A 30 4.839 -8.061 -5.365 1.00 0.00 H new ATOM 447 N CYS A 31 2.150 -1.357 -2.641 1.00 0.00 N ATOM 448 CA CYS A 31 0.867 -1.787 -2.008 1.00 0.00 C ATOM 449 C CYS A 31 0.837 -3.311 -1.852 1.00 0.00 C ATOM 450 O CYS A 31 1.034 -4.046 -2.801 1.00 0.00 O ATOM 451 CB CYS A 31 -0.233 -1.319 -2.960 1.00 0.00 C ATOM 452 SG CYS A 31 -0.611 0.420 -2.633 1.00 0.00 S ATOM 0 H CYS A 31 2.109 -1.213 -3.650 1.00 0.00 H new ATOM 0 HA CYS A 31 0.741 -1.364 -1.011 1.00 0.00 H new ATOM 0 HB2 CYS A 31 0.088 -1.445 -3.994 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -1.127 -1.928 -2.828 1.00 0.00 H new ATOM 457 N LYS A 32 0.592 -3.786 -0.657 1.00 0.00 N ATOM 458 CA LYS A 32 0.545 -5.262 -0.421 1.00 0.00 C ATOM 459 C LYS A 32 -0.874 -5.693 -0.028 1.00 0.00 C ATOM 460 O LYS A 32 -1.707 -4.876 0.317 1.00 0.00 O ATOM 461 CB LYS A 32 1.532 -5.521 0.726 1.00 0.00 C ATOM 462 CG LYS A 32 1.091 -4.762 1.985 1.00 0.00 C ATOM 463 CD LYS A 32 1.276 -5.653 3.217 1.00 0.00 C ATOM 464 CE LYS A 32 2.586 -5.291 3.926 1.00 0.00 C ATOM 465 NZ LYS A 32 3.566 -6.330 3.497 1.00 0.00 N ATOM 0 H LYS A 32 0.422 -3.213 0.169 1.00 0.00 H new ATOM 0 HA LYS A 32 0.809 -5.829 -1.313 1.00 0.00 H new ATOM 0 HB2 LYS A 32 1.585 -6.589 0.936 1.00 0.00 H new ATOM 0 HB3 LYS A 32 2.533 -5.204 0.433 1.00 0.00 H new ATOM 0 HG2 LYS A 32 1.676 -3.849 2.094 1.00 0.00 H new ATOM 0 HG3 LYS A 32 0.047 -4.463 1.894 1.00 0.00 H new ATOM 0 HD2 LYS A 32 0.435 -5.526 3.899 1.00 0.00 H new ATOM 0 HD3 LYS A 32 1.290 -6.702 2.920 1.00 0.00 H new ATOM 0 HE2 LYS A 32 2.923 -4.293 3.645 1.00 0.00 H new ATOM 0 HE3 LYS A 32 2.460 -5.292 5.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 4.486 -6.145 3.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 3.224 -7.269 3.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 3.672 -6.301 2.463 1.00 0.00 H new ATOM 479 N TYR A 33 -1.153 -6.972 -0.077 1.00 0.00 N ATOM 480 CA TYR A 33 -2.515 -7.459 0.293 1.00 0.00 C ATOM 481 C TYR A 33 -2.450 -8.295 1.576 1.00 0.00 C ATOM 482 O TYR A 33 -2.139 -9.472 1.547 1.00 0.00 O ATOM 483 CB TYR A 33 -2.970 -8.319 -0.891 1.00 0.00 C ATOM 484 CG TYR A 33 -4.480 -8.377 -0.921 1.00 0.00 C ATOM 485 CD1 TYR A 33 -5.175 -9.115 0.047 1.00 0.00 C ATOM 486 CD2 TYR A 33 -5.184 -7.690 -1.916 1.00 0.00 C ATOM 487 CE1 TYR A 33 -6.574 -9.164 0.017 1.00 0.00 C ATOM 488 CE2 TYR A 33 -6.582 -7.741 -1.946 1.00 0.00 C ATOM 489 CZ TYR A 33 -7.277 -8.477 -0.979 1.00 0.00 C ATOM 490 OH TYR A 33 -8.656 -8.525 -1.008 1.00 0.00 O ATOM 0 H TYR A 33 -0.495 -7.699 -0.358 1.00 0.00 H new ATOM 0 HA TYR A 33 -3.206 -6.639 0.486 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -2.593 -7.901 -1.824 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -2.558 -9.325 -0.803 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -4.632 -9.645 0.815 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -4.648 -7.120 -2.661 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -7.111 -9.732 0.763 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -7.125 -7.212 -2.715 1.00 0.00 H new ATOM 0 HH TYR A 33 -8.986 -7.993 -1.762 1.00 0.00 H new ATOM 500 N GLU A 34 -2.749 -7.695 2.702 1.00 0.00 N ATOM 501 CA GLU A 34 -2.715 -8.454 3.992 1.00 0.00 C ATOM 502 C GLU A 34 -3.856 -9.480 4.027 1.00 0.00 C ATOM 503 O GLU A 34 -4.978 -9.180 3.668 1.00 0.00 O ATOM 504 CB GLU A 34 -2.886 -7.403 5.101 1.00 0.00 C ATOM 505 CG GLU A 34 -4.196 -6.628 4.905 1.00 0.00 C ATOM 506 CD GLU A 34 -5.108 -6.841 6.117 1.00 0.00 C ATOM 507 OE1 GLU A 34 -5.756 -7.874 6.174 1.00 0.00 O ATOM 508 OE2 GLU A 34 -5.146 -5.966 6.966 1.00 0.00 O ATOM 0 H GLU A 34 -3.015 -6.714 2.784 1.00 0.00 H new ATOM 0 HA GLU A 34 -1.784 -9.008 4.117 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -2.887 -7.890 6.076 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -2.042 -6.713 5.090 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -3.986 -5.566 4.778 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -4.697 -6.965 3.997 1.00 0.00 H new ATOM 515 N ILE A 35 -3.567 -10.690 4.452 1.00 0.00 N ATOM 516 CA ILE A 35 -4.617 -11.762 4.514 1.00 0.00 C ATOM 517 C ILE A 35 -5.313 -11.912 3.146 1.00 0.00 C ATOM 518 O ILE A 35 -4.557 -12.354 2.298 1.00 0.00 O ATOM 519 CB ILE A 35 -5.602 -11.314 5.611 1.00 0.00 C ATOM 520 CG1 ILE A 35 -4.844 -11.065 6.926 1.00 0.00 C ATOM 521 CG2 ILE A 35 -6.662 -12.400 5.832 1.00 0.00 C ATOM 522 CD1 ILE A 35 -4.073 -12.324 7.338 1.00 0.00 C ATOM 0 H ILE A 35 -2.640 -10.983 4.761 1.00 0.00 H new ATOM 0 HA ILE A 35 -4.195 -12.740 4.747 1.00 0.00 H new ATOM 0 HB ILE A 35 -6.088 -10.391 5.294 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -4.154 -10.230 6.804 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -5.546 -10.786 7.712 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -7.356 -12.078 6.609 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -7.209 -12.569 4.904 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -6.176 -13.326 6.141 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -3.540 -12.136 8.270 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -4.772 -13.149 7.479 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -3.358 -12.584 6.558 1.00 0.00 H new HETATM 534 N NH2 A 36 -6.431 -12.574 3.330 1.00 0.00 N TER 537 NH2 A 36