USER MOD reduce.3.24.130724 H: found=0, std=0, add=245, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 245 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 Single : A 1 CYS N :NH3+ -114:sc= 0.0908 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 ASN : amide:sc= -1.85! K(o=-1.8!,f=-0.12) USER MOD Single : A 6 ASN : amide:sc= -0.119 K(o=-0.12,f=-1.2) USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=-0.0049) USER MOD Single : A 11 ASN : amide:sc= -0.0111 K(o=-0.011,f=-1.7) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= -2.55 K(o=-2.5,f=-0.48) USER MOD Single : A 16 ASN : amide:sc= -0.137 K(o=-0.14,f=-2.9!) USER MOD Single : A 19 SER OG : rot 159:sc= -0.226 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 24 LYS NZ :NH3+ -123:sc= 0.329 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= -1.26! K(o=-1.3!,f=0) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 1 4.532 -10.405 2.069 1.00 0.00 N ATOM 2 CA CYS A 1 3.830 -9.519 1.118 1.00 0.00 C ATOM 3 C CYS A 1 2.338 -9.504 1.419 1.00 0.00 C ATOM 4 O CYS A 1 1.821 -10.428 2.050 1.00 0.00 O ATOM 5 CB CYS A 1 4.085 -10.019 -0.306 1.00 0.00 C ATOM 6 SG CYS A 1 3.450 -8.915 -1.614 1.00 0.00 S ATOM 0 H1 CYS A 1 5.163 -9.838 2.671 1.00 0.00 H new ATOM 0 H2 CYS A 1 3.835 -10.897 2.664 1.00 0.00 H new ATOM 0 H3 CYS A 1 5.093 -11.105 1.542 1.00 0.00 H new ATOM 0 HA CYS A 1 4.206 -8.501 1.217 1.00 0.00 H new ATOM 0 HB2 CYS A 1 5.158 -10.150 -0.446 1.00 0.00 H new ATOM 0 HB3 CYS A 1 3.627 -11.001 -0.421 1.00 0.00 H new ATOM 13 N ILE A 2 1.662 -8.444 0.978 1.00 0.00 N ATOM 14 CA ILE A 2 0.231 -8.276 1.196 1.00 0.00 C ATOM 15 C ILE A 2 -0.049 -8.082 2.686 1.00 0.00 C ATOM 16 O ILE A 2 -0.924 -8.717 3.274 1.00 0.00 O ATOM 17 CB ILE A 2 -0.577 -9.474 0.641 1.00 0.00 C ATOM 18 CG1 ILE A 2 -0.127 -9.809 -0.785 1.00 0.00 C ATOM 19 CG2 ILE A 2 -2.071 -9.175 0.654 1.00 0.00 C ATOM 20 CD1 ILE A 2 -0.801 -11.036 -1.362 1.00 0.00 C ATOM 0 H ILE A 2 2.094 -7.679 0.460 1.00 0.00 H new ATOM 0 HA ILE A 2 -0.091 -7.388 0.652 1.00 0.00 H new ATOM 0 HB ILE A 2 -0.389 -10.333 1.285 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -0.331 -8.955 -1.431 1.00 0.00 H new ATOM 0 HG13 ILE A 2 0.952 -9.962 -0.790 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -2.617 -10.032 0.259 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -2.394 -8.979 1.676 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -2.272 -8.300 0.036 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -0.433 -11.212 -2.373 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -0.576 -11.902 -0.739 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -1.879 -10.879 -1.390 1.00 0.00 H new ATOM 32 N LYS A 3 0.721 -7.198 3.292 1.00 0.00 N ATOM 33 CA LYS A 3 0.586 -6.905 4.699 1.00 0.00 C ATOM 34 C LYS A 3 -0.428 -5.784 4.915 1.00 0.00 C ATOM 35 O LYS A 3 -0.352 -4.740 4.260 1.00 0.00 O ATOM 36 CB LYS A 3 1.949 -6.505 5.264 1.00 0.00 C ATOM 37 CG LYS A 3 1.932 -6.198 6.745 1.00 0.00 C ATOM 38 CD LYS A 3 1.621 -7.436 7.568 1.00 0.00 C ATOM 39 CE LYS A 3 1.552 -7.122 9.052 1.00 0.00 C ATOM 40 NZ LYS A 3 1.211 -8.324 9.858 1.00 0.00 N ATOM 0 H LYS A 3 1.454 -6.667 2.822 1.00 0.00 H new ATOM 0 HA LYS A 3 0.226 -7.793 5.218 1.00 0.00 H new ATOM 0 HB2 LYS A 3 2.659 -7.311 5.078 1.00 0.00 H new ATOM 0 HB3 LYS A 3 2.312 -5.630 4.726 1.00 0.00 H new ATOM 0 HG2 LYS A 3 2.899 -5.794 7.045 1.00 0.00 H new ATOM 0 HG3 LYS A 3 1.188 -5.428 6.949 1.00 0.00 H new ATOM 0 HD2 LYS A 3 0.672 -7.861 7.242 1.00 0.00 H new ATOM 0 HD3 LYS A 3 2.386 -8.192 7.391 1.00 0.00 H new ATOM 0 HE2 LYS A 3 2.511 -6.723 9.383 1.00 0.00 H new ATOM 0 HE3 LYS A 3 0.806 -6.346 9.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 1.174 -8.067 10.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 0.285 -8.691 9.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 1.936 -9.056 9.714 1.00 0.00 H new ATOM 54 N ASN A 4 -1.361 -5.999 5.840 1.00 0.00 N ATOM 55 CA ASN A 4 -2.387 -5.004 6.169 1.00 0.00 C ATOM 56 C ASN A 4 -1.770 -3.846 6.950 1.00 0.00 C ATOM 57 O ASN A 4 -2.106 -3.609 8.112 1.00 0.00 O ATOM 58 CB ASN A 4 -3.520 -5.636 6.989 1.00 0.00 C ATOM 59 CG ASN A 4 -4.492 -6.462 6.160 1.00 0.00 C ATOM 60 OD1 ASN A 4 -5.352 -7.151 6.704 1.00 0.00 O ATOM 61 ND2 ASN A 4 -4.385 -6.389 4.844 1.00 0.00 N ATOM 0 H ASN A 4 -1.430 -6.861 6.381 1.00 0.00 H new ATOM 0 HA ASN A 4 -2.803 -4.627 5.235 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -3.086 -6.270 7.762 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -4.072 -4.846 7.498 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -5.027 -6.914 4.250 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -3.660 -5.808 4.423 1.00 0.00 H new ATOM 68 N GLY A 5 -0.849 -3.149 6.307 1.00 0.00 N ATOM 69 CA GLY A 5 -0.164 -2.038 6.934 1.00 0.00 C ATOM 70 C GLY A 5 0.893 -1.433 6.028 1.00 0.00 C ATOM 71 O GLY A 5 1.204 -0.248 6.138 1.00 0.00 O ATOM 0 H GLY A 5 -0.559 -3.336 5.347 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -0.890 -1.272 7.205 1.00 0.00 H new ATOM 0 HA3 GLY A 5 0.303 -2.376 7.859 1.00 0.00 H new ATOM 75 N ASN A 6 1.450 -2.257 5.138 1.00 0.00 N ATOM 76 CA ASN A 6 2.485 -1.819 4.199 1.00 0.00 C ATOM 77 C ASN A 6 2.028 -0.577 3.430 1.00 0.00 C ATOM 78 O ASN A 6 0.899 -0.526 2.933 1.00 0.00 O ATOM 79 CB ASN A 6 2.813 -2.961 3.224 1.00 0.00 C ATOM 80 CG ASN A 6 3.957 -2.636 2.277 1.00 0.00 C ATOM 81 OD1 ASN A 6 3.849 -1.762 1.422 1.00 0.00 O ATOM 82 ND2 ASN A 6 5.063 -3.348 2.421 1.00 0.00 N ATOM 0 H ASN A 6 1.198 -3.241 5.048 1.00 0.00 H new ATOM 0 HA ASN A 6 3.382 -1.558 4.760 1.00 0.00 H new ATOM 0 HB2 ASN A 6 3.066 -3.855 3.795 1.00 0.00 H new ATOM 0 HB3 ASN A 6 1.923 -3.197 2.640 1.00 0.00 H new ATOM 0 HD21 ASN A 6 5.862 -3.178 1.810 1.00 0.00 H new ATOM 0 HD22 ASN A 6 5.117 -4.066 3.143 1.00 0.00 H new ATOM 89 N GLY A 7 2.909 0.419 3.349 1.00 0.00 N ATOM 90 CA GLY A 7 2.594 1.653 2.652 1.00 0.00 C ATOM 91 C GLY A 7 2.603 1.486 1.149 1.00 0.00 C ATOM 92 O GLY A 7 3.602 1.767 0.483 1.00 0.00 O ATOM 0 H GLY A 7 3.843 0.390 3.758 1.00 0.00 H new ATOM 0 HA2 GLY A 7 1.613 2.006 2.970 1.00 0.00 H new ATOM 0 HA3 GLY A 7 3.315 2.420 2.934 1.00 0.00 H new ATOM 96 N CYS A 8 1.493 1.013 0.622 1.00 0.00 N ATOM 97 CA CYS A 8 1.351 0.787 -0.805 1.00 0.00 C ATOM 98 C CYS A 8 1.022 2.077 -1.543 1.00 0.00 C ATOM 99 O CYS A 8 1.505 2.312 -2.649 1.00 0.00 O ATOM 100 CB CYS A 8 0.261 -0.246 -1.062 1.00 0.00 C ATOM 101 SG CYS A 8 -0.070 -0.573 -2.822 1.00 0.00 S ATOM 0 H CYS A 8 0.665 0.774 1.167 1.00 0.00 H new ATOM 0 HA CYS A 8 2.304 0.415 -1.182 1.00 0.00 H new ATOM 0 HB2 CYS A 8 0.543 -1.181 -0.579 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -0.661 0.092 -0.589 1.00 0.00 H new ATOM 106 N GLN A 9 0.184 2.908 -0.942 1.00 0.00 N ATOM 107 CA GLN A 9 -0.209 4.158 -1.576 1.00 0.00 C ATOM 108 C GLN A 9 0.021 5.354 -0.656 1.00 0.00 C ATOM 109 O GLN A 9 -0.930 5.933 -0.132 1.00 0.00 O ATOM 110 CB GLN A 9 -1.679 4.098 -2.006 1.00 0.00 C ATOM 111 CG GLN A 9 -1.968 2.997 -3.015 1.00 0.00 C ATOM 112 CD GLN A 9 -3.393 3.026 -3.527 1.00 0.00 C ATOM 113 OE1 GLN A 9 -4.347 2.896 -2.760 1.00 0.00 O ATOM 114 NE2 GLN A 9 -3.546 3.199 -4.829 1.00 0.00 N ATOM 0 H GLN A 9 -0.233 2.743 -0.026 1.00 0.00 H new ATOM 0 HA GLN A 9 0.418 4.291 -2.458 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -2.302 3.946 -1.125 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -1.964 5.058 -2.436 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -1.283 3.094 -3.857 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -1.772 2.029 -2.555 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -2.728 3.303 -5.429 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -4.482 3.229 -5.233 1.00 0.00 H new ATOM 123 N PRO A 10 1.288 5.736 -0.433 1.00 0.00 N ATOM 124 CA PRO A 10 1.635 6.867 0.429 1.00 0.00 C ATOM 125 C PRO A 10 1.294 8.209 -0.218 1.00 0.00 C ATOM 126 O PRO A 10 0.619 9.046 0.380 1.00 0.00 O ATOM 127 CB PRO A 10 3.155 6.735 0.622 1.00 0.00 C ATOM 128 CG PRO A 10 3.517 5.398 0.062 1.00 0.00 C ATOM 129 CD PRO A 10 2.489 5.101 -0.988 1.00 0.00 C ATOM 0 HA PRO A 10 1.077 6.846 1.365 1.00 0.00 H new ATOM 0 HB2 PRO A 10 3.687 7.534 0.104 1.00 0.00 H new ATOM 0 HB3 PRO A 10 3.424 6.804 1.676 1.00 0.00 H new ATOM 0 HG2 PRO A 10 4.520 5.412 -0.366 1.00 0.00 H new ATOM 0 HG3 PRO A 10 3.513 4.634 0.840 1.00 0.00 H new ATOM 0 HD2 PRO A 10 2.762 5.522 -1.956 1.00 0.00 H new ATOM 0 HD3 PRO A 10 2.353 4.029 -1.133 1.00 0.00 H new ATOM 137 N ASN A 11 1.762 8.410 -1.444 1.00 0.00 N ATOM 138 CA ASN A 11 1.510 9.655 -2.166 1.00 0.00 C ATOM 139 C ASN A 11 1.720 9.474 -3.670 1.00 0.00 C ATOM 140 O ASN A 11 2.191 10.381 -4.356 1.00 0.00 O ATOM 141 CB ASN A 11 2.415 10.777 -1.632 1.00 0.00 C ATOM 142 CG ASN A 11 3.859 10.333 -1.454 1.00 0.00 C ATOM 143 OD1 ASN A 11 4.491 9.837 -2.386 1.00 0.00 O ATOM 144 ND2 ASN A 11 4.390 10.505 -0.254 1.00 0.00 N ATOM 0 H ASN A 11 2.318 7.728 -1.960 1.00 0.00 H new ATOM 0 HA ASN A 11 0.469 9.934 -2.002 1.00 0.00 H new ATOM 0 HB2 ASN A 11 2.381 11.623 -2.319 1.00 0.00 H new ATOM 0 HB3 ASN A 11 2.027 11.127 -0.676 1.00 0.00 H new ATOM 0 HD21 ASN A 11 5.354 10.223 -0.078 1.00 0.00 H new ATOM 0 HD22 ASN A 11 3.835 10.920 0.495 1.00 0.00 H new ATOM 151 N GLY A 12 1.345 8.301 -4.170 1.00 0.00 N ATOM 152 CA GLY A 12 1.469 8.007 -5.590 1.00 0.00 C ATOM 153 C GLY A 12 2.882 8.178 -6.120 1.00 0.00 C ATOM 154 O GLY A 12 3.084 8.749 -7.191 1.00 0.00 O ATOM 0 H GLY A 12 0.954 7.541 -3.613 1.00 0.00 H new ATOM 0 HA2 GLY A 12 1.142 6.983 -5.771 1.00 0.00 H new ATOM 0 HA3 GLY A 12 0.798 8.659 -6.149 1.00 0.00 H new ATOM 158 N SER A 13 3.857 7.693 -5.372 1.00 0.00 N ATOM 159 CA SER A 13 5.252 7.803 -5.774 1.00 0.00 C ATOM 160 C SER A 13 5.921 6.441 -5.760 1.00 0.00 C ATOM 161 O SER A 13 6.771 6.151 -6.608 1.00 0.00 O ATOM 162 CB SER A 13 5.993 8.782 -4.859 1.00 0.00 C ATOM 163 OG SER A 13 7.324 9.003 -5.297 1.00 0.00 O ATOM 0 H SER A 13 3.710 7.218 -4.481 1.00 0.00 H new ATOM 0 HA SER A 13 5.291 8.188 -6.793 1.00 0.00 H new ATOM 0 HB2 SER A 13 5.457 9.731 -4.830 1.00 0.00 H new ATOM 0 HB3 SER A 13 6.005 8.392 -3.841 1.00 0.00 H new ATOM 0 HG SER A 13 7.767 9.633 -4.692 1.00 0.00 H new ATOM 169 N GLN A 14 5.544 5.606 -4.807 1.00 0.00 N ATOM 170 CA GLN A 14 6.124 4.286 -4.708 1.00 0.00 C ATOM 171 C GLN A 14 5.333 3.413 -3.743 1.00 0.00 C ATOM 172 O GLN A 14 5.056 3.805 -2.611 1.00 0.00 O ATOM 173 CB GLN A 14 7.581 4.395 -4.264 1.00 0.00 C ATOM 174 CG GLN A 14 8.316 3.074 -4.261 1.00 0.00 C ATOM 175 CD GLN A 14 8.450 2.443 -5.638 1.00 0.00 C ATOM 176 OE1 GLN A 14 8.879 1.295 -5.762 1.00 0.00 O ATOM 177 NE2 GLN A 14 8.106 3.183 -6.682 1.00 0.00 N ATOM 0 H GLN A 14 4.843 5.820 -4.097 1.00 0.00 H new ATOM 0 HA GLN A 14 6.086 3.814 -5.690 1.00 0.00 H new ATOM 0 HB2 GLN A 14 8.102 5.089 -4.924 1.00 0.00 H new ATOM 0 HB3 GLN A 14 7.615 4.822 -3.262 1.00 0.00 H new ATOM 0 HG2 GLN A 14 9.311 3.223 -3.842 1.00 0.00 H new ATOM 0 HG3 GLN A 14 7.794 2.380 -3.603 1.00 0.00 H new ATOM 0 HE21 GLN A 14 7.754 4.130 -6.542 1.00 0.00 H new ATOM 0 HE22 GLN A 14 8.193 2.805 -7.626 1.00 0.00 H new ATOM 186 N GLY A 15 4.975 2.232 -4.212 1.00 0.00 N ATOM 187 CA GLY A 15 4.217 1.294 -3.413 1.00 0.00 C ATOM 188 C GLY A 15 3.732 0.147 -4.264 1.00 0.00 C ATOM 189 O GLY A 15 3.305 0.365 -5.400 1.00 0.00 O ATOM 0 H GLY A 15 5.200 1.900 -5.150 1.00 0.00 H new ATOM 0 HA2 GLY A 15 4.837 0.915 -2.600 1.00 0.00 H new ATOM 0 HA3 GLY A 15 3.367 1.800 -2.956 1.00 0.00 H new ATOM 193 N ASN A 16 3.810 -1.069 -3.745 1.00 0.00 N ATOM 194 CA ASN A 16 3.389 -2.238 -4.505 1.00 0.00 C ATOM 195 C ASN A 16 3.180 -3.440 -3.593 1.00 0.00 C ATOM 196 O ASN A 16 3.972 -3.692 -2.685 1.00 0.00 O ATOM 197 CB ASN A 16 4.450 -2.574 -5.563 1.00 0.00 C ATOM 198 CG ASN A 16 3.955 -3.523 -6.642 1.00 0.00 C ATOM 199 OD1 ASN A 16 3.447 -4.607 -6.361 1.00 0.00 O ATOM 200 ND2 ASN A 16 4.116 -3.124 -7.895 1.00 0.00 N ATOM 0 H ASN A 16 4.158 -1.272 -2.808 1.00 0.00 H new ATOM 0 HA ASN A 16 2.441 -2.007 -4.990 1.00 0.00 H new ATOM 0 HB2 ASN A 16 4.789 -1.650 -6.031 1.00 0.00 H new ATOM 0 HB3 ASN A 16 5.315 -3.018 -5.070 1.00 0.00 H new ATOM 0 HD21 ASN A 16 3.814 -3.723 -8.664 1.00 0.00 H new ATOM 0 HD22 ASN A 16 4.541 -2.218 -8.091 1.00 0.00 H new ATOM 207 N CYS A 17 2.122 -4.188 -3.860 1.00 0.00 N ATOM 208 CA CYS A 17 1.800 -5.382 -3.102 1.00 0.00 C ATOM 209 C CYS A 17 1.297 -6.467 -4.046 1.00 0.00 C ATOM 210 O CYS A 17 0.585 -6.182 -5.007 1.00 0.00 O ATOM 211 CB CYS A 17 0.767 -5.083 -2.011 1.00 0.00 C ATOM 212 SG CYS A 17 1.505 -4.572 -0.423 1.00 0.00 S ATOM 0 H CYS A 17 1.462 -3.982 -4.610 1.00 0.00 H new ATOM 0 HA CYS A 17 2.704 -5.736 -2.605 1.00 0.00 H new ATOM 0 HB2 CYS A 17 0.099 -4.296 -2.361 1.00 0.00 H new ATOM 0 HB3 CYS A 17 0.156 -5.971 -1.849 1.00 0.00 H new ATOM 217 N CYS A 18 1.709 -7.700 -3.778 1.00 0.00 N ATOM 218 CA CYS A 18 1.358 -8.861 -4.598 1.00 0.00 C ATOM 219 C CYS A 18 -0.146 -8.974 -4.857 1.00 0.00 C ATOM 220 O CYS A 18 -0.562 -9.399 -5.932 1.00 0.00 O ATOM 221 CB CYS A 18 1.862 -10.134 -3.913 1.00 0.00 C ATOM 222 SG CYS A 18 3.583 -10.019 -3.316 1.00 0.00 S ATOM 0 H CYS A 18 2.301 -7.928 -2.979 1.00 0.00 H new ATOM 0 HA CYS A 18 1.837 -8.731 -5.568 1.00 0.00 H new ATOM 0 HB2 CYS A 18 1.210 -10.364 -3.070 1.00 0.00 H new ATOM 0 HB3 CYS A 18 1.785 -10.966 -4.613 1.00 0.00 H new ATOM 227 N SER A 19 -0.957 -8.611 -3.870 1.00 0.00 N ATOM 228 CA SER A 19 -2.407 -8.696 -4.000 1.00 0.00 C ATOM 229 C SER A 19 -2.956 -7.693 -5.011 1.00 0.00 C ATOM 230 O SER A 19 -3.936 -7.975 -5.698 1.00 0.00 O ATOM 231 CB SER A 19 -3.069 -8.472 -2.641 1.00 0.00 C ATOM 232 OG SER A 19 -2.591 -7.284 -2.025 1.00 0.00 O ATOM 0 H SER A 19 -0.635 -8.255 -2.970 1.00 0.00 H new ATOM 0 HA SER A 19 -2.641 -9.696 -4.366 1.00 0.00 H new ATOM 0 HB2 SER A 19 -4.150 -8.410 -2.766 1.00 0.00 H new ATOM 0 HB3 SER A 19 -2.872 -9.326 -1.992 1.00 0.00 H new ATOM 0 HG SER A 19 -3.236 -6.982 -1.352 1.00 0.00 H new ATOM 238 N GLY A 20 -2.339 -6.518 -5.078 1.00 0.00 N ATOM 239 CA GLY A 20 -2.811 -5.489 -5.987 1.00 0.00 C ATOM 240 C GLY A 20 -4.175 -4.986 -5.565 1.00 0.00 C ATOM 241 O GLY A 20 -5.034 -4.690 -6.397 1.00 0.00 O ATOM 0 H GLY A 20 -1.524 -6.260 -4.522 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -2.103 -4.661 -6.006 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -2.863 -5.888 -7.000 1.00 0.00 H new ATOM 245 N TYR A 21 -4.367 -4.912 -4.255 1.00 0.00 N ATOM 246 CA TYR A 21 -5.624 -4.470 -3.672 1.00 0.00 C ATOM 247 C TYR A 21 -5.344 -3.517 -2.514 1.00 0.00 C ATOM 248 O TYR A 21 -5.735 -3.755 -1.373 1.00 0.00 O ATOM 249 CB TYR A 21 -6.427 -5.687 -3.196 1.00 0.00 C ATOM 250 CG TYR A 21 -7.843 -5.374 -2.763 1.00 0.00 C ATOM 251 CD1 TYR A 21 -8.621 -4.456 -3.457 1.00 0.00 C ATOM 252 CD2 TYR A 21 -8.404 -6.011 -1.664 1.00 0.00 C ATOM 253 CE1 TYR A 21 -9.917 -4.181 -3.066 1.00 0.00 C ATOM 254 CE2 TYR A 21 -9.697 -5.740 -1.266 1.00 0.00 C ATOM 255 CZ TYR A 21 -10.449 -4.826 -1.970 1.00 0.00 C ATOM 256 OH TYR A 21 -11.744 -4.562 -1.580 1.00 0.00 O ATOM 0 H TYR A 21 -3.655 -5.157 -3.567 1.00 0.00 H new ATOM 0 HA TYR A 21 -6.212 -3.940 -4.422 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -6.461 -6.422 -4.001 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -5.900 -6.151 -2.362 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -8.206 -3.949 -4.316 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -7.818 -6.731 -1.111 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -10.510 -3.465 -3.616 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -10.117 -6.242 -0.407 1.00 0.00 H new ATOM 0 HH TYR A 21 -11.964 -5.100 -0.791 1.00 0.00 H new ATOM 266 N CYS A 22 -4.649 -2.440 -2.819 1.00 0.00 N ATOM 267 CA CYS A 22 -4.301 -1.442 -1.825 1.00 0.00 C ATOM 268 C CYS A 22 -5.468 -0.488 -1.614 1.00 0.00 C ATOM 269 O CYS A 22 -6.106 -0.056 -2.577 1.00 0.00 O ATOM 270 CB CYS A 22 -3.055 -0.687 -2.280 1.00 0.00 C ATOM 271 SG CYS A 22 -1.689 -1.791 -2.768 1.00 0.00 S ATOM 0 H CYS A 22 -4.310 -2.231 -3.758 1.00 0.00 H new ATOM 0 HA CYS A 22 -4.087 -1.930 -0.874 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -3.314 -0.045 -3.122 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -2.718 -0.035 -1.474 1.00 0.00 H new ATOM 276 N HIS A 23 -5.764 -0.173 -0.363 1.00 0.00 N ATOM 277 CA HIS A 23 -6.871 0.718 -0.054 1.00 0.00 C ATOM 278 C HIS A 23 -6.379 2.014 0.572 1.00 0.00 C ATOM 279 O HIS A 23 -5.551 2.001 1.479 1.00 0.00 O ATOM 280 CB HIS A 23 -7.861 0.033 0.891 1.00 0.00 C ATOM 281 CG HIS A 23 -9.044 0.887 1.241 1.00 0.00 C ATOM 282 ND1 HIS A 23 -9.964 1.316 0.313 1.00 0.00 N ATOM 283 CD2 HIS A 23 -9.440 1.404 2.425 1.00 0.00 C ATOM 284 CE1 HIS A 23 -10.873 2.062 0.910 1.00 0.00 C ATOM 285 NE2 HIS A 23 -10.579 2.130 2.194 1.00 0.00 N ATOM 0 H HIS A 23 -5.256 -0.519 0.451 1.00 0.00 H new ATOM 0 HA HIS A 23 -7.374 0.957 -0.991 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -8.213 -0.889 0.429 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -7.342 -0.247 1.807 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -8.949 1.270 3.378 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -11.715 2.537 0.429 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -11.112 2.639 2.899 1.00 0.00 H new ATOM 294 N LYS A 24 -6.917 3.125 0.099 1.00 0.00 N ATOM 295 CA LYS A 24 -6.560 4.427 0.622 1.00 0.00 C ATOM 296 C LYS A 24 -7.821 5.256 0.830 1.00 0.00 C ATOM 297 O LYS A 24 -8.802 5.108 0.099 1.00 0.00 O ATOM 298 CB LYS A 24 -5.588 5.150 -0.315 1.00 0.00 C ATOM 299 CG LYS A 24 -4.983 6.402 0.301 1.00 0.00 C ATOM 300 CD LYS A 24 -3.959 7.047 -0.613 1.00 0.00 C ATOM 301 CE LYS A 24 -3.292 8.230 0.069 1.00 0.00 C ATOM 302 NZ LYS A 24 -2.262 8.869 -0.789 1.00 0.00 N ATOM 0 H LYS A 24 -7.607 3.148 -0.652 1.00 0.00 H new ATOM 0 HA LYS A 24 -6.057 4.293 1.580 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -4.786 4.466 -0.594 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -6.111 5.420 -1.232 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -5.775 7.118 0.520 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -4.512 6.148 1.251 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -3.205 6.313 -0.896 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -4.443 7.377 -1.532 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -4.049 8.968 0.334 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -2.831 7.898 0.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -1.349 8.871 -0.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -2.171 8.336 -1.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -2.544 9.848 -0.999 1.00 0.00 H new ATOM 316 N GLN A 25 -7.791 6.105 1.838 1.00 0.00 N ATOM 317 CA GLN A 25 -8.917 6.956 2.177 1.00 0.00 C ATOM 318 C GLN A 25 -8.381 8.282 2.698 1.00 0.00 C ATOM 319 O GLN A 25 -7.330 8.299 3.339 1.00 0.00 O ATOM 320 CB GLN A 25 -9.780 6.273 3.250 1.00 0.00 C ATOM 321 CG GLN A 25 -11.026 7.056 3.633 1.00 0.00 C ATOM 322 CD GLN A 25 -11.757 6.489 4.835 1.00 0.00 C ATOM 323 OE1 GLN A 25 -12.803 7.004 5.230 1.00 0.00 O ATOM 324 NE2 GLN A 25 -11.219 5.437 5.430 1.00 0.00 N ATOM 0 H GLN A 25 -6.982 6.225 2.448 1.00 0.00 H new ATOM 0 HA GLN A 25 -9.535 7.130 1.296 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -10.079 5.289 2.889 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -9.174 6.115 4.142 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -10.745 8.088 3.843 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -11.707 7.078 2.782 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -10.351 5.038 5.073 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -11.672 5.025 6.245 1.00 0.00 H new ATOM 333 N PRO A 26 -9.067 9.409 2.415 1.00 0.00 N ATOM 334 CA PRO A 26 -8.640 10.749 2.858 1.00 0.00 C ATOM 335 C PRO A 26 -8.696 10.930 4.384 1.00 0.00 C ATOM 336 O PRO A 26 -9.216 11.926 4.890 1.00 0.00 O ATOM 337 CB PRO A 26 -9.635 11.689 2.170 1.00 0.00 C ATOM 338 CG PRO A 26 -10.831 10.847 1.900 1.00 0.00 C ATOM 339 CD PRO A 26 -10.304 9.472 1.614 1.00 0.00 C ATOM 0 HA PRO A 26 -7.598 10.939 2.599 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -9.884 12.537 2.808 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -9.221 12.096 1.247 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -11.505 10.838 2.757 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -11.398 11.233 1.053 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -11.014 8.700 1.909 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -10.103 9.331 0.552 1.00 0.00 H new ATOM 347 N GLY A 27 -8.146 9.964 5.101 1.00 0.00 N ATOM 348 CA GLY A 27 -8.107 10.003 6.546 1.00 0.00 C ATOM 349 C GLY A 27 -6.813 9.408 7.059 1.00 0.00 C ATOM 350 O GLY A 27 -6.683 9.079 8.238 1.00 0.00 O ATOM 0 H GLY A 27 -7.716 9.133 4.694 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -8.202 11.033 6.890 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -8.954 9.451 6.953 1.00 0.00 H new ATOM 354 N TRP A 28 -5.847 9.295 6.152 1.00 0.00 N ATOM 355 CA TRP A 28 -4.530 8.766 6.459 1.00 0.00 C ATOM 356 C TRP A 28 -3.588 9.068 5.299 1.00 0.00 C ATOM 357 O TRP A 28 -4.035 9.265 4.167 1.00 0.00 O ATOM 358 CB TRP A 28 -4.576 7.261 6.793 1.00 0.00 C ATOM 359 CG TRP A 28 -5.079 6.365 5.696 1.00 0.00 C ATOM 360 CD1 TRP A 28 -4.595 6.268 4.428 1.00 0.00 C ATOM 361 CD2 TRP A 28 -6.155 5.423 5.789 1.00 0.00 C ATOM 362 NE1 TRP A 28 -5.298 5.320 3.723 1.00 0.00 N ATOM 363 CE2 TRP A 28 -6.263 4.790 4.537 1.00 0.00 C ATOM 364 CE3 TRP A 28 -7.036 5.054 6.810 1.00 0.00 C ATOM 365 CZ2 TRP A 28 -7.216 3.806 4.281 1.00 0.00 C ATOM 366 CZ3 TRP A 28 -7.982 4.079 6.553 1.00 0.00 C ATOM 367 CH2 TRP A 28 -8.065 3.466 5.297 1.00 0.00 C ATOM 0 H TRP A 28 -5.961 9.571 5.177 1.00 0.00 H new ATOM 0 HA TRP A 28 -4.152 9.257 7.356 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -3.572 6.938 7.069 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -5.208 7.121 7.670 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -3.777 6.851 4.033 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -5.129 5.055 2.753 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -6.979 5.522 7.782 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -7.281 3.329 3.314 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -8.668 3.785 7.334 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -8.816 2.708 5.127 1.00 0.00 H new ATOM 378 N VAL A 29 -2.300 9.152 5.588 1.00 0.00 N ATOM 379 CA VAL A 29 -1.311 9.480 4.569 1.00 0.00 C ATOM 380 C VAL A 29 -1.072 8.331 3.588 1.00 0.00 C ATOM 381 O VAL A 29 -1.205 8.507 2.378 1.00 0.00 O ATOM 382 CB VAL A 29 0.037 9.884 5.208 1.00 0.00 C ATOM 383 CG1 VAL A 29 1.055 10.255 4.138 1.00 0.00 C ATOM 384 CG2 VAL A 29 -0.157 11.036 6.184 1.00 0.00 C ATOM 0 H VAL A 29 -1.913 8.998 6.519 1.00 0.00 H new ATOM 0 HA VAL A 29 -1.723 10.322 4.014 1.00 0.00 H new ATOM 0 HB VAL A 29 0.421 9.026 5.759 1.00 0.00 H new ATOM 0 HG11 VAL A 29 1.995 10.536 4.612 1.00 0.00 H new ATOM 0 HG12 VAL A 29 1.220 9.401 3.481 1.00 0.00 H new ATOM 0 HG13 VAL A 29 0.679 11.094 3.553 1.00 0.00 H new ATOM 0 HG21 VAL A 29 0.803 11.306 6.624 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -0.569 11.896 5.655 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -0.845 10.732 6.973 1.00 0.00 H new ATOM 394 N ALA A 30 -0.695 7.170 4.100 1.00 0.00 N ATOM 395 CA ALA A 30 -0.406 6.029 3.242 1.00 0.00 C ATOM 396 C ALA A 30 -1.476 4.951 3.306 1.00 0.00 C ATOM 397 O ALA A 30 -1.901 4.540 4.387 1.00 0.00 O ATOM 398 CB ALA A 30 0.949 5.440 3.597 1.00 0.00 C ATOM 0 H ALA A 30 -0.582 6.992 5.098 1.00 0.00 H new ATOM 0 HA ALA A 30 -0.394 6.400 2.217 1.00 0.00 H new ATOM 0 HB1 ALA A 30 1.156 4.588 2.950 1.00 0.00 H new ATOM 0 HB2 ALA A 30 1.722 6.196 3.459 1.00 0.00 H new ATOM 0 HB3 ALA A 30 0.943 5.113 4.637 1.00 0.00 H new ATOM 404 N GLY A 31 -1.886 4.484 2.132 1.00 0.00 N ATOM 405 CA GLY A 31 -2.880 3.437 2.046 1.00 0.00 C ATOM 406 C GLY A 31 -2.260 2.068 2.239 1.00 0.00 C ATOM 407 O GLY A 31 -1.272 1.729 1.578 1.00 0.00 O ATOM 0 H GLY A 31 -1.542 4.818 1.232 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -3.648 3.600 2.802 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -3.374 3.481 1.075 1.00 0.00 H new ATOM 411 N TYR A 32 -2.827 1.294 3.151 1.00 0.00 N ATOM 412 CA TYR A 32 -2.326 -0.040 3.456 1.00 0.00 C ATOM 413 C TYR A 32 -2.800 -1.078 2.437 1.00 0.00 C ATOM 414 O TYR A 32 -3.861 -0.933 1.822 1.00 0.00 O ATOM 415 CB TYR A 32 -2.746 -0.451 4.877 1.00 0.00 C ATOM 416 CG TYR A 32 -4.246 -0.462 5.119 1.00 0.00 C ATOM 417 CD1 TYR A 32 -5.052 -1.462 4.587 1.00 0.00 C ATOM 418 CD2 TYR A 32 -4.853 0.522 5.893 1.00 0.00 C ATOM 419 CE1 TYR A 32 -6.413 -1.479 4.811 1.00 0.00 C ATOM 420 CE2 TYR A 32 -6.218 0.510 6.123 1.00 0.00 C ATOM 421 CZ TYR A 32 -6.992 -0.493 5.578 1.00 0.00 C ATOM 422 OH TYR A 32 -8.352 -0.516 5.799 1.00 0.00 O ATOM 0 H TYR A 32 -3.642 1.569 3.698 1.00 0.00 H new ATOM 0 HA TYR A 32 -1.238 -0.004 3.399 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -2.351 -1.446 5.084 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -2.282 0.231 5.590 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -4.604 -2.240 3.987 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -4.249 1.308 6.321 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -7.022 -2.263 4.386 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -6.674 1.281 6.726 1.00 0.00 H new ATOM 0 HH TYR A 32 -8.605 0.247 6.360 1.00 0.00 H new ATOM 432 N CYS A 33 -2.007 -2.129 2.277 1.00 0.00 N ATOM 433 CA CYS A 33 -2.335 -3.209 1.357 1.00 0.00 C ATOM 434 C CYS A 33 -3.402 -4.114 1.961 1.00 0.00 C ATOM 435 O CYS A 33 -3.279 -4.543 3.108 1.00 0.00 O ATOM 436 CB CYS A 33 -1.093 -4.048 1.053 1.00 0.00 C ATOM 437 SG CYS A 33 0.264 -3.125 0.270 1.00 0.00 S ATOM 0 H CYS A 33 -1.127 -2.256 2.776 1.00 0.00 H new ATOM 0 HA CYS A 33 -2.710 -2.764 0.435 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -0.729 -4.486 1.982 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -1.378 -4.874 0.401 1.00 0.00 H new ATOM 442 N ARG A 34 -4.435 -4.420 1.190 1.00 0.00 N ATOM 443 CA ARG A 34 -5.494 -5.294 1.666 1.00 0.00 C ATOM 444 C ARG A 34 -5.329 -6.694 1.099 1.00 0.00 C ATOM 445 O ARG A 34 -4.845 -6.874 -0.022 1.00 0.00 O ATOM 446 CB ARG A 34 -6.877 -4.752 1.307 1.00 0.00 C ATOM 447 CG ARG A 34 -7.373 -3.676 2.254 1.00 0.00 C ATOM 448 CD ARG A 34 -8.788 -3.240 1.910 1.00 0.00 C ATOM 449 NE ARG A 34 -9.748 -4.344 1.979 1.00 0.00 N ATOM 450 CZ ARG A 34 -11.062 -4.191 1.817 1.00 0.00 C ATOM 451 NH1 ARG A 34 -11.565 -2.990 1.571 1.00 0.00 N ATOM 452 NH2 ARG A 34 -11.867 -5.240 1.885 1.00 0.00 N ATOM 0 H ARG A 34 -4.561 -4.078 0.237 1.00 0.00 H new ATOM 0 HA ARG A 34 -5.415 -5.334 2.752 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -6.848 -4.348 0.295 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -7.591 -5.576 1.301 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -7.345 -4.050 3.278 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -6.705 -2.816 2.210 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -9.098 -2.450 2.594 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -8.800 -2.815 0.906 1.00 0.00 H new ATOM 0 HE ARG A 34 -9.391 -5.282 2.161 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -10.946 -2.182 1.505 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -12.571 -2.874 1.447 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -11.482 -6.168 2.062 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -12.872 -5.120 1.761 1.00 0.00 H new ATOM 466 N ARG A 35 -5.752 -7.675 1.878 1.00 0.00 N ATOM 467 CA ARG A 35 -5.689 -9.069 1.474 1.00 0.00 C ATOM 468 C ARG A 35 -7.008 -9.443 0.818 1.00 0.00 C ATOM 469 O ARG A 35 -7.051 -10.161 -0.180 1.00 0.00 O ATOM 470 CB ARG A 35 -5.419 -9.958 2.691 1.00 0.00 C ATOM 471 CG ARG A 35 -4.125 -9.611 3.407 1.00 0.00 C ATOM 472 CD ARG A 35 -3.969 -10.373 4.711 1.00 0.00 C ATOM 473 NE ARG A 35 -3.810 -11.811 4.507 1.00 0.00 N ATOM 474 CZ ARG A 35 -3.558 -12.672 5.492 1.00 0.00 C ATOM 475 NH1 ARG A 35 -3.434 -12.234 6.742 1.00 0.00 N ATOM 476 NH2 ARG A 35 -3.436 -13.967 5.232 1.00 0.00 N ATOM 0 H ARG A 35 -6.148 -7.528 2.806 1.00 0.00 H new ATOM 0 HA ARG A 35 -4.875 -9.216 0.764 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -6.250 -9.868 3.391 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -5.383 -11.000 2.372 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -3.280 -9.833 2.755 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -4.099 -8.540 3.609 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -3.103 -9.989 5.251 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -4.842 -10.193 5.339 1.00 0.00 H new ATOM 0 HE ARG A 35 -3.897 -12.176 3.558 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -3.532 -11.239 6.946 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -3.241 -12.893 7.496 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -3.535 -14.307 4.275 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -3.243 -14.623 5.989 1.00 0.00 H new ATOM 490 N LYS A 36 -8.080 -8.912 1.391 1.00 0.00 N ATOM 491 CA LYS A 36 -9.427 -9.130 0.897 1.00 0.00 C ATOM 492 C LYS A 36 -10.356 -8.126 1.567 1.00 0.00 C ATOM 493 O LYS A 36 -11.577 -8.162 1.314 1.00 0.00 O ATOM 494 CB LYS A 36 -9.909 -10.566 1.168 1.00 0.00 C ATOM 495 CG LYS A 36 -10.306 -10.846 2.614 1.00 0.00 C ATOM 496 CD LYS A 36 -9.104 -11.101 3.509 1.00 0.00 C ATOM 497 CE LYS A 36 -9.541 -11.401 4.932 1.00 0.00 C ATOM 498 NZ LYS A 36 -8.414 -11.877 5.775 1.00 0.00 N ATOM 499 OXT LYS A 36 -9.849 -7.294 2.354 1.00 0.00 O ATOM 0 H LYS A 36 -8.036 -8.315 2.217 1.00 0.00 H new ATOM 0 HA LYS A 36 -9.433 -8.990 -0.184 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -10.764 -10.775 0.525 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -9.118 -11.260 0.882 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -10.871 -9.999 3.003 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -10.968 -11.712 2.645 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -8.526 -11.938 3.118 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -8.449 -10.230 3.502 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -9.971 -10.503 5.376 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -10.327 -12.157 4.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -8.758 -12.070 6.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -8.020 -12.749 5.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -7.675 -11.146 5.811 1.00 0.00 H new TER 513 LYS A 36