USER MOD reduce.3.24.130724 H: found=0, std=0, add=783, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 776 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 1 GLY N :NH3+ 179:sc= 0.841 (180deg=-0.00341) USER MOD Set 1.2: A 96 THR OG1 : rot 60:sc= 2.02 USER MOD Set 2.1: A 69 THR OG1 : rot 126:sc= 2.29 USER MOD Set 2.2: A 86 LYS NZ :NH3+ -171:sc= 1 (180deg=-0.231) USER MOD Set 3.1: A 52 ASN : amide:sc= -0.0273 X(o=0.42,f=0.45) USER MOD Set 3.2: A 67 TYR OH : rot 180:sc= 0.0406 USER MOD Set 3.3: A 78 THR OG1 : rot 162:sc= 0.41 USER MOD Set 4.1: A 63 ASN : amide:sc= -1.75! K(o=-0.55!,f=-1.9) USER MOD Set 4.2: A 74 TYR OH : rot -100:sc= 1.2 USER MOD Set 5.1: A 46 TYR OH : rot -80:sc= 0.566 USER MOD Set 5.2: A 79 LYS NZ :NH3+ -145:sc= 0.962 (180deg=-0.0295) USER MOD Set 6.1: A 19 THR OG1 : rot 115:sc= 1.29 USER MOD Set 6.2: A 31 ASN : amide:sc= 1.45 K(o=2.7,f=-0.87) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 144:sc= 1.25 (180deg=0.37) USER MOD Single : A 8 THR OG1 : rot 10:sc= 0.123 USER MOD Single : A 11 LYS NZ :NH3+ -159:sc= 0 (180deg=-0.483) USER MOD Single : A 12 THR OG1 : rot -79:sc= 0.447 USER MOD Single : A 14 CYS SG : rot 173:sc= -0.218 USER MOD Single : A 16 GLN : amide:sc= 0.733 K(o=0.73,f=-0.15) USER MOD Single : A 17 CYS SG : rot 180:sc= 0 USER MOD Single : A 18 HIS : no HE2:sc= 0.114 K(o=0.11,f=-0.87) USER MOD Single : A 26 HIS : no HD1:sc= -0.329 X(o=-0.33,f=-0.57) USER MOD Single : A 27 LYS NZ :NH3+ -164:sc= 0.858 (180deg=0.643) USER MOD Single : A 33 HIS : no HE2:sc= 0.357 K(o=0.36,f=-1.2) USER MOD Single : A 39 HIS : no HD1:sc= -0.0123 X(o=-0.012,f=-0.085) USER MOD Single : A 40 SER OG : rot 98:sc= 1.51 USER MOD Single : A 42 GLN : amide:sc= -0.249 K(o=-0.25,f=-1.9) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 130:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ -130:sc= 1.28 (180deg=-1.23!) USER MOD Single : A 55 LYS NZ :NH3+ -156:sc= 1.26 (180deg=1.16) USER MOD Single : A 56 ASN : amide:sc= 0.156 X(o=0.16,f=0) USER MOD Single : A 62 ASN : amide:sc= 0.299 X(o=0.3,f=-0.032) USER MOD Single : A 64 MET CE :methyl 180:sc= -1.11 (180deg=-1.11) USER MOD Single : A 65 SER OG : rot 79:sc= 1.16 USER MOD Single : A 70 ASN : amide:sc= 0.419 K(o=0.42,f=-4.7!) USER MOD Single : A 72 LYS NZ :NH3+ -178:sc= 1.89 (180deg=1.74) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl -177:sc= -0.32 (180deg=-0.325) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 ASN : amide:sc= 1.13 K(o=1.1,f=-0.022) USER MOD Single : A 97 TYR OH : rot 175:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ -124:sc= -0.0199 (180deg=-3.04!) USER MOD Single : A 100 LYS NZ :NH3+ -155:sc= 0.325 (180deg=-0.271) USER MOD Single : A 102 THR OG1 : rot -13:sc= 0.785 USER MOD ----------------------------------------------------------------- ATOM 84 N GLY A 1 -12.305 -10.018 0.730 1.00 0.00 N ATOM 85 CA GLY A 1 -13.424 -9.734 -0.164 1.00 0.00 C ATOM 86 C GLY A 1 -13.230 -10.520 -1.461 1.00 0.00 C ATOM 87 O GLY A 1 -12.775 -11.665 -1.426 1.00 0.00 O ATOM 0 H1 GLY A 1 -12.417 -9.475 1.610 1.00 0.00 H new ATOM 0 H2 GLY A 1 -12.286 -11.034 0.950 1.00 0.00 H new ATOM 0 H3 GLY A 1 -11.414 -9.747 0.268 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -14.365 -10.013 0.309 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -13.477 -8.666 -0.374 1.00 0.00 H new ATOM 91 N SER A 2 -13.571 -9.924 -2.608 1.00 0.00 N ATOM 92 CA SER A 2 -13.201 -10.487 -3.922 1.00 0.00 C ATOM 93 C SER A 2 -13.360 -9.511 -5.092 1.00 0.00 C ATOM 94 O SER A 2 -12.753 -9.704 -6.149 1.00 0.00 O ATOM 95 CB SER A 2 -14.040 -11.741 -4.234 1.00 0.00 C ATOM 96 OG SER A 2 -13.406 -12.549 -5.210 1.00 0.00 O ATOM 0 H SER A 2 -14.101 -9.054 -2.659 1.00 0.00 H new ATOM 0 HA SER A 2 -12.142 -10.728 -3.832 1.00 0.00 H new ATOM 0 HB2 SER A 2 -14.190 -12.318 -3.322 1.00 0.00 H new ATOM 0 HB3 SER A 2 -15.027 -11.443 -4.589 1.00 0.00 H new ATOM 0 HG SER A 2 -13.958 -13.339 -5.389 1.00 0.00 H new ATOM 102 N ALA A 3 -14.220 -8.495 -4.980 1.00 0.00 N ATOM 103 CA ALA A 3 -14.716 -7.843 -6.184 1.00 0.00 C ATOM 104 C ALA A 3 -13.683 -6.910 -6.830 1.00 0.00 C ATOM 105 O ALA A 3 -13.028 -6.089 -6.188 1.00 0.00 O ATOM 106 CB ALA A 3 -16.036 -7.120 -5.900 1.00 0.00 C ATOM 0 H ALA A 3 -14.574 -8.120 -4.100 1.00 0.00 H new ATOM 0 HA ALA A 3 -14.904 -8.627 -6.917 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -16.391 -6.639 -6.812 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -16.779 -7.840 -5.557 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -15.879 -6.366 -5.129 1.00 0.00 H new ATOM 112 N LYS A 4 -13.682 -6.914 -8.168 1.00 0.00 N ATOM 113 CA LYS A 4 -12.944 -5.974 -9.033 1.00 0.00 C ATOM 114 C LYS A 4 -13.353 -4.498 -8.851 1.00 0.00 C ATOM 115 O LYS A 4 -12.729 -3.623 -9.442 1.00 0.00 O ATOM 116 CB LYS A 4 -13.038 -6.440 -10.499 1.00 0.00 C ATOM 117 CG LYS A 4 -12.379 -7.821 -10.691 1.00 0.00 C ATOM 118 CD LYS A 4 -12.496 -8.336 -12.132 1.00 0.00 C ATOM 119 CE LYS A 4 -11.873 -9.737 -12.221 1.00 0.00 C ATOM 120 NZ LYS A 4 -12.007 -10.324 -13.579 1.00 0.00 N ATOM 0 H LYS A 4 -14.216 -7.598 -8.704 1.00 0.00 H new ATOM 0 HA LYS A 4 -11.900 -5.996 -8.721 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -14.084 -6.489 -10.801 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -12.553 -5.710 -11.147 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -11.326 -7.758 -10.416 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -12.843 -8.538 -10.014 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -13.543 -8.371 -12.434 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -11.989 -7.656 -12.816 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -10.818 -9.682 -11.953 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -12.352 -10.393 -11.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -11.573 -11.269 -13.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -13.014 -10.402 -13.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -11.528 -9.713 -14.270 1.00 0.00 H new ATOM 134 N LYS A 5 -14.318 -4.212 -7.963 1.00 0.00 N ATOM 135 CA LYS A 5 -14.529 -2.898 -7.329 1.00 0.00 C ATOM 136 C LYS A 5 -13.246 -2.372 -6.676 1.00 0.00 C ATOM 137 O LYS A 5 -12.956 -1.189 -6.805 1.00 0.00 O ATOM 138 CB LYS A 5 -15.670 -2.964 -6.294 1.00 0.00 C ATOM 139 CG LYS A 5 -17.030 -3.223 -6.965 1.00 0.00 C ATOM 140 CD LYS A 5 -18.248 -3.023 -6.046 1.00 0.00 C ATOM 141 CE LYS A 5 -18.545 -4.192 -5.094 1.00 0.00 C ATOM 142 NZ LYS A 5 -17.815 -4.104 -3.806 1.00 0.00 N ATOM 0 H LYS A 5 -14.995 -4.910 -7.656 1.00 0.00 H new ATOM 0 HA LYS A 5 -14.813 -2.200 -8.117 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -15.463 -3.755 -5.573 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -15.711 -2.028 -5.737 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -17.128 -2.560 -7.825 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -17.043 -4.244 -7.346 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -18.092 -2.122 -5.453 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -19.127 -2.848 -6.666 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -19.616 -4.225 -4.894 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -18.284 -5.128 -5.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -18.419 -4.465 -3.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -16.946 -4.673 -3.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -17.567 -3.112 -3.614 1.00 0.00 H new ATOM 156 N GLY A 6 -12.441 -3.247 -6.065 1.00 0.00 N ATOM 157 CA GLY A 6 -11.118 -2.892 -5.548 1.00 0.00 C ATOM 158 C GLY A 6 -10.220 -2.175 -6.570 1.00 0.00 C ATOM 159 O GLY A 6 -9.474 -1.276 -6.195 1.00 0.00 O ATOM 0 H GLY A 6 -12.691 -4.225 -5.915 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -11.240 -2.252 -4.674 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -10.615 -3.799 -5.211 1.00 0.00 H new ATOM 163 N ALA A 7 -10.346 -2.491 -7.868 1.00 0.00 N ATOM 164 CA ALA A 7 -9.598 -1.838 -8.942 1.00 0.00 C ATOM 165 C ALA A 7 -10.031 -0.379 -9.168 1.00 0.00 C ATOM 166 O ALA A 7 -9.187 0.515 -9.183 1.00 0.00 O ATOM 167 CB ALA A 7 -9.735 -2.654 -10.234 1.00 0.00 C ATOM 0 H ALA A 7 -10.980 -3.218 -8.201 1.00 0.00 H new ATOM 0 HA ALA A 7 -8.551 -1.802 -8.640 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -9.177 -2.166 -11.033 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -9.339 -3.657 -10.075 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -10.787 -2.720 -10.513 1.00 0.00 H new ATOM 173 N THR A 8 -11.333 -0.113 -9.341 1.00 0.00 N ATOM 174 CA THR A 8 -11.860 1.259 -9.492 1.00 0.00 C ATOM 175 C THR A 8 -11.745 2.084 -8.208 1.00 0.00 C ATOM 176 O THR A 8 -11.577 3.305 -8.278 1.00 0.00 O ATOM 177 CB THR A 8 -13.315 1.267 -9.989 1.00 0.00 C ATOM 178 OG1 THR A 8 -14.135 0.426 -9.219 1.00 0.00 O ATOM 179 CG2 THR A 8 -13.427 0.771 -11.428 1.00 0.00 C ATOM 0 H THR A 8 -12.051 -0.836 -9.381 1.00 0.00 H new ATOM 0 HA THR A 8 -11.231 1.729 -10.248 1.00 0.00 H new ATOM 0 HB THR A 8 -13.638 2.305 -9.909 1.00 0.00 H new ATOM 0 HG1 THR A 8 -13.645 0.130 -8.424 1.00 0.00 H new ATOM 0 HG21 THR A 8 -14.471 0.793 -11.740 1.00 0.00 H new ATOM 0 HG22 THR A 8 -12.840 1.416 -12.082 1.00 0.00 H new ATOM 0 HG23 THR A 8 -13.050 -0.250 -11.491 1.00 0.00 H new ATOM 187 N LEU A 9 -11.723 1.423 -7.044 1.00 0.00 N ATOM 188 CA LEU A 9 -11.390 2.020 -5.754 1.00 0.00 C ATOM 189 C LEU A 9 -9.919 2.440 -5.768 1.00 0.00 C ATOM 190 O LEU A 9 -9.622 3.625 -5.709 1.00 0.00 O ATOM 191 CB LEU A 9 -11.696 1.059 -4.592 1.00 0.00 C ATOM 192 CG LEU A 9 -13.202 0.878 -4.365 1.00 0.00 C ATOM 193 CD1 LEU A 9 -13.500 -0.385 -3.550 1.00 0.00 C ATOM 194 CD2 LEU A 9 -13.817 2.047 -3.597 1.00 0.00 C ATOM 0 H LEU A 9 -11.943 0.429 -6.977 1.00 0.00 H new ATOM 0 HA LEU A 9 -12.011 2.902 -5.594 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -11.243 0.089 -4.797 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -11.237 1.439 -3.679 1.00 0.00 H new ATOM 0 HG LEU A 9 -13.635 0.812 -5.363 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -14.576 -0.481 -3.409 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -13.124 -1.259 -4.083 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -13.011 -0.315 -2.578 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -14.884 1.872 -3.462 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -13.337 2.135 -2.622 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -13.669 2.969 -4.159 1.00 0.00 H new ATOM 206 N PHE A 10 -8.982 1.506 -5.949 1.00 0.00 N ATOM 207 CA PHE A 10 -7.544 1.798 -6.054 1.00 0.00 C ATOM 208 C PHE A 10 -7.235 2.915 -7.070 1.00 0.00 C ATOM 209 O PHE A 10 -6.468 3.831 -6.758 1.00 0.00 O ATOM 210 CB PHE A 10 -6.780 0.510 -6.386 1.00 0.00 C ATOM 211 CG PHE A 10 -5.274 0.681 -6.463 1.00 0.00 C ATOM 212 CD1 PHE A 10 -4.499 0.620 -5.291 1.00 0.00 C ATOM 213 CD2 PHE A 10 -4.638 0.878 -7.705 1.00 0.00 C ATOM 214 CE1 PHE A 10 -3.106 0.802 -5.353 1.00 0.00 C ATOM 215 CE2 PHE A 10 -3.242 1.050 -7.767 1.00 0.00 C ATOM 216 CZ PHE A 10 -2.477 1.026 -6.588 1.00 0.00 C ATOM 0 H PHE A 10 -9.200 0.513 -6.028 1.00 0.00 H new ATOM 0 HA PHE A 10 -7.209 2.175 -5.088 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -7.011 -0.241 -5.630 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -7.140 0.123 -7.340 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -4.975 0.433 -4.340 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -5.223 0.897 -8.612 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -2.518 0.769 -4.448 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -2.759 1.200 -8.721 1.00 0.00 H new ATOM 0 HZ PHE A 10 -1.409 1.179 -6.632 1.00 0.00 H new ATOM 226 N LYS A 11 -7.902 2.904 -8.239 1.00 0.00 N ATOM 227 CA LYS A 11 -7.778 3.944 -9.285 1.00 0.00 C ATOM 228 C LYS A 11 -8.094 5.364 -8.778 1.00 0.00 C ATOM 229 O LYS A 11 -7.532 6.324 -9.291 1.00 0.00 O ATOM 230 CB LYS A 11 -8.660 3.599 -10.510 1.00 0.00 C ATOM 231 CG LYS A 11 -7.977 3.895 -11.862 1.00 0.00 C ATOM 232 CD LYS A 11 -7.146 2.695 -12.360 1.00 0.00 C ATOM 233 CE LYS A 11 -6.237 3.080 -13.543 1.00 0.00 C ATOM 234 NZ LYS A 11 -5.215 2.035 -13.844 1.00 0.00 N ATOM 0 H LYS A 11 -8.554 2.161 -8.490 1.00 0.00 H new ATOM 0 HA LYS A 11 -6.730 3.948 -9.584 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -8.927 2.543 -10.470 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -9.590 4.165 -10.450 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -8.735 4.145 -12.605 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -7.331 4.767 -11.759 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -6.536 2.311 -11.542 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -7.815 1.890 -12.663 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -6.850 3.249 -14.428 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -5.734 4.021 -13.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -4.429 2.461 -14.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -4.854 1.636 -12.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -5.648 1.279 -14.412 1.00 0.00 H new ATOM 248 N THR A 12 -8.956 5.489 -7.765 1.00 0.00 N ATOM 249 CA THR A 12 -9.438 6.757 -7.170 1.00 0.00 C ATOM 250 C THR A 12 -9.008 6.994 -5.719 1.00 0.00 C ATOM 251 O THR A 12 -9.299 8.049 -5.158 1.00 0.00 O ATOM 252 CB THR A 12 -10.970 6.871 -7.278 1.00 0.00 C ATOM 253 OG1 THR A 12 -11.607 5.809 -6.600 1.00 0.00 O ATOM 254 CG2 THR A 12 -11.467 6.846 -8.724 1.00 0.00 C ATOM 0 H THR A 12 -9.362 4.672 -7.308 1.00 0.00 H new ATOM 0 HA THR A 12 -8.955 7.536 -7.760 1.00 0.00 H new ATOM 0 HB THR A 12 -11.219 7.832 -6.827 1.00 0.00 H new ATOM 0 HG1 THR A 12 -11.589 5.005 -7.160 1.00 0.00 H new ATOM 0 HG21 THR A 12 -12.554 6.930 -8.737 1.00 0.00 H new ATOM 0 HG22 THR A 12 -11.032 7.682 -9.273 1.00 0.00 H new ATOM 0 HG23 THR A 12 -11.170 5.909 -9.195 1.00 0.00 H new ATOM 262 N ARG A 13 -8.284 6.047 -5.112 1.00 0.00 N ATOM 263 CA ARG A 13 -7.796 6.113 -3.727 1.00 0.00 C ATOM 264 C ARG A 13 -6.271 6.270 -3.654 1.00 0.00 C ATOM 265 O ARG A 13 -5.782 7.092 -2.882 1.00 0.00 O ATOM 266 CB ARG A 13 -8.252 4.854 -2.959 1.00 0.00 C ATOM 267 CG ARG A 13 -9.774 4.625 -2.832 1.00 0.00 C ATOM 268 CD ARG A 13 -10.453 5.408 -1.706 1.00 0.00 C ATOM 269 NE ARG A 13 -11.767 4.816 -1.359 1.00 0.00 N ATOM 270 CZ ARG A 13 -12.938 5.069 -1.912 1.00 0.00 C ATOM 271 NH1 ARG A 13 -13.090 5.891 -2.916 1.00 0.00 N ATOM 272 NH2 ARG A 13 -13.983 4.449 -1.459 1.00 0.00 N ATOM 0 H ARG A 13 -8.012 5.185 -5.585 1.00 0.00 H new ATOM 0 HA ARG A 13 -8.225 7.001 -3.262 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -7.818 3.982 -3.449 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -7.831 4.898 -1.955 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -10.247 4.893 -3.777 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -9.955 3.562 -2.675 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -9.810 5.415 -0.826 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -10.588 6.446 -2.011 1.00 0.00 H new ATOM 0 HE ARG A 13 -11.766 4.132 -0.603 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -12.281 6.372 -3.308 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -14.018 6.052 -3.307 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -13.888 3.783 -0.692 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -14.900 4.627 -1.870 1.00 0.00 H new ATOM 286 N CYS A 14 -5.533 5.487 -4.444 1.00 0.00 N ATOM 287 CA CYS A 14 -4.091 5.263 -4.281 1.00 0.00 C ATOM 288 C CYS A 14 -3.290 5.657 -5.524 1.00 0.00 C ATOM 289 O CYS A 14 -2.196 6.205 -5.402 1.00 0.00 O ATOM 290 CB CYS A 14 -3.833 3.780 -3.991 1.00 0.00 C ATOM 291 SG CYS A 14 -4.959 2.946 -2.825 1.00 0.00 S ATOM 0 H CYS A 14 -5.929 4.978 -5.234 1.00 0.00 H new ATOM 0 HA CYS A 14 -3.764 5.892 -3.453 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -3.868 3.241 -4.937 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -2.818 3.683 -3.606 1.00 0.00 H new ATOM 0 HG CYS A 14 -4.699 1.672 -2.806 1.00 0.00 H new ATOM 296 N LEU A 15 -3.835 5.416 -6.724 1.00 0.00 N ATOM 297 CA LEU A 15 -3.117 5.577 -7.994 1.00 0.00 C ATOM 298 C LEU A 15 -2.670 7.025 -8.294 1.00 0.00 C ATOM 299 O LEU A 15 -1.701 7.241 -9.011 1.00 0.00 O ATOM 300 CB LEU A 15 -3.944 4.937 -9.124 1.00 0.00 C ATOM 301 CG LEU A 15 -3.102 4.106 -10.115 1.00 0.00 C ATOM 302 CD1 LEU A 15 -4.045 3.188 -10.885 1.00 0.00 C ATOM 303 CD2 LEU A 15 -2.367 4.928 -11.176 1.00 0.00 C ATOM 0 H LEU A 15 -4.798 5.100 -6.841 1.00 0.00 H new ATOM 0 HA LEU A 15 -2.168 5.047 -7.913 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -4.709 4.296 -8.685 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -4.463 5.723 -9.672 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.357 3.590 -9.509 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.472 2.589 -11.593 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -4.562 2.529 -10.187 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -4.776 3.789 -11.426 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.802 4.260 -11.827 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -3.091 5.487 -11.769 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.684 5.623 -10.689 1.00 0.00 H new ATOM 315 N GLN A 16 -3.271 8.027 -7.640 1.00 0.00 N ATOM 316 CA GLN A 16 -2.740 9.398 -7.565 1.00 0.00 C ATOM 317 C GLN A 16 -1.262 9.483 -7.094 1.00 0.00 C ATOM 318 O GLN A 16 -0.526 10.385 -7.506 1.00 0.00 O ATOM 319 CB GLN A 16 -3.705 10.251 -6.713 1.00 0.00 C ATOM 320 CG GLN A 16 -3.938 9.767 -5.263 1.00 0.00 C ATOM 321 CD GLN A 16 -5.080 10.515 -4.561 1.00 0.00 C ATOM 322 OE1 GLN A 16 -5.386 11.661 -4.843 1.00 0.00 O ATOM 323 NE2 GLN A 16 -5.770 9.907 -3.617 1.00 0.00 N ATOM 0 H GLN A 16 -4.152 7.909 -7.140 1.00 0.00 H new ATOM 0 HA GLN A 16 -2.697 9.805 -8.575 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -3.322 11.271 -6.677 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -4.669 10.290 -7.221 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -4.161 8.700 -5.273 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -3.020 9.896 -4.690 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -5.541 8.948 -3.356 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -6.533 10.395 -3.148 1.00 0.00 H new ATOM 332 N CYS A 17 -0.796 8.517 -6.295 1.00 0.00 N ATOM 333 CA CYS A 17 0.552 8.464 -5.718 1.00 0.00 C ATOM 334 C CYS A 17 1.327 7.170 -5.999 1.00 0.00 C ATOM 335 O CYS A 17 2.526 7.109 -5.707 1.00 0.00 O ATOM 336 CB CYS A 17 0.457 8.646 -4.206 1.00 0.00 C ATOM 337 SG CYS A 17 -0.125 10.269 -3.638 1.00 0.00 S ATOM 0 H CYS A 17 -1.370 7.719 -6.022 1.00 0.00 H new ATOM 0 HA CYS A 17 1.108 9.267 -6.202 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -0.212 7.882 -3.809 1.00 0.00 H new ATOM 0 HB3 CYS A 17 1.441 8.463 -3.775 1.00 0.00 H new ATOM 0 HG CYS A 17 -0.160 10.287 -2.339 1.00 0.00 H new ATOM 342 N HIS A 18 0.677 6.137 -6.538 1.00 0.00 N ATOM 343 CA HIS A 18 1.244 4.796 -6.721 1.00 0.00 C ATOM 344 C HIS A 18 0.915 4.163 -8.075 1.00 0.00 C ATOM 345 O HIS A 18 -0.023 4.550 -8.764 1.00 0.00 O ATOM 346 CB HIS A 18 0.714 3.880 -5.606 1.00 0.00 C ATOM 347 CG HIS A 18 1.343 4.131 -4.266 1.00 0.00 C ATOM 348 ND1 HIS A 18 2.689 4.075 -3.987 1.00 0.00 N ATOM 349 CD2 HIS A 18 0.680 4.379 -3.095 1.00 0.00 C ATOM 350 CE1 HIS A 18 2.829 4.271 -2.668 1.00 0.00 C ATOM 351 NE2 HIS A 18 1.632 4.460 -2.078 1.00 0.00 N ATOM 0 H HIS A 18 -0.285 6.210 -6.869 1.00 0.00 H new ATOM 0 HA HIS A 18 2.328 4.906 -6.681 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -0.365 4.013 -5.521 1.00 0.00 H new ATOM 0 HB3 HIS A 18 0.886 2.842 -5.889 1.00 0.00 H new ATOM 0 HD1 HIS A 18 3.440 3.914 -4.658 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -0.388 4.492 -2.979 1.00 0.00 H new ATOM 0 HE1 HIS A 18 3.775 4.277 -2.147 1.00 0.00 H new ATOM 359 N THR A 19 1.663 3.113 -8.398 1.00 0.00 N ATOM 360 CA THR A 19 1.420 2.150 -9.479 1.00 0.00 C ATOM 361 C THR A 19 1.398 0.733 -8.895 1.00 0.00 C ATOM 362 O THR A 19 1.861 0.510 -7.771 1.00 0.00 O ATOM 363 CB THR A 19 2.488 2.275 -10.570 1.00 0.00 C ATOM 364 OG1 THR A 19 3.772 2.193 -9.994 1.00 0.00 O ATOM 365 CG2 THR A 19 2.417 3.604 -11.318 1.00 0.00 C ATOM 0 H THR A 19 2.513 2.893 -7.880 1.00 0.00 H new ATOM 0 HA THR A 19 0.455 2.362 -9.940 1.00 0.00 H new ATOM 0 HB THR A 19 2.302 1.462 -11.272 1.00 0.00 H new ATOM 0 HG1 THR A 19 4.226 1.388 -10.320 1.00 0.00 H new ATOM 0 HG21 THR A 19 3.197 3.636 -12.078 1.00 0.00 H new ATOM 0 HG22 THR A 19 1.442 3.702 -11.795 1.00 0.00 H new ATOM 0 HG23 THR A 19 2.561 4.425 -10.616 1.00 0.00 H new ATOM 373 N VAL A 20 0.836 -0.229 -9.626 1.00 0.00 N ATOM 374 CA VAL A 20 0.649 -1.631 -9.177 1.00 0.00 C ATOM 375 C VAL A 20 1.022 -2.669 -10.245 1.00 0.00 C ATOM 376 O VAL A 20 1.083 -3.871 -9.996 1.00 0.00 O ATOM 377 CB VAL A 20 -0.796 -1.797 -8.675 1.00 0.00 C ATOM 378 CG1 VAL A 20 -1.825 -1.885 -9.804 1.00 0.00 C ATOM 379 CG2 VAL A 20 -0.946 -2.992 -7.736 1.00 0.00 C ATOM 0 H VAL A 20 0.486 -0.064 -10.570 1.00 0.00 H new ATOM 0 HA VAL A 20 1.343 -1.827 -8.359 1.00 0.00 H new ATOM 0 HB VAL A 20 -1.006 -0.885 -8.116 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -2.822 -2.001 -9.379 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -1.789 -0.974 -10.401 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -1.598 -2.743 -10.437 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.983 -3.069 -7.408 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -0.663 -3.905 -8.260 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -0.300 -2.857 -6.869 1.00 0.00 H new ATOM 389 N GLU A 21 1.303 -2.192 -11.449 1.00 0.00 N ATOM 390 CA GLU A 21 1.698 -2.945 -12.623 1.00 0.00 C ATOM 391 C GLU A 21 3.221 -3.219 -12.619 1.00 0.00 C ATOM 392 O GLU A 21 3.997 -2.655 -11.842 1.00 0.00 O ATOM 393 CB GLU A 21 1.237 -2.172 -13.871 1.00 0.00 C ATOM 394 CG GLU A 21 -0.267 -1.760 -13.921 1.00 0.00 C ATOM 395 CD GLU A 21 -0.740 -0.557 -13.057 1.00 0.00 C ATOM 396 OE1 GLU A 21 0.100 0.081 -12.374 1.00 0.00 O ATOM 397 OE2 GLU A 21 -1.966 -0.269 -13.068 1.00 0.00 O ATOM 0 H GLU A 21 1.256 -1.191 -11.641 1.00 0.00 H new ATOM 0 HA GLU A 21 1.220 -3.925 -12.625 1.00 0.00 H new ATOM 0 HB2 GLU A 21 1.841 -1.268 -13.954 1.00 0.00 H new ATOM 0 HB3 GLU A 21 1.453 -2.782 -14.748 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -0.515 -1.539 -14.959 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -0.858 -2.629 -13.630 1.00 0.00 H new ATOM 440 N PRO A 25 6.317 3.517 -13.125 1.00 0.00 N ATOM 441 CA PRO A 25 7.152 4.554 -12.516 1.00 0.00 C ATOM 442 C PRO A 25 6.683 4.916 -11.097 1.00 0.00 C ATOM 443 O PRO A 25 5.490 5.024 -10.829 1.00 0.00 O ATOM 444 CB PRO A 25 7.055 5.750 -13.470 1.00 0.00 C ATOM 445 CG PRO A 25 5.670 5.592 -14.097 1.00 0.00 C ATOM 446 CD PRO A 25 5.521 4.077 -14.210 1.00 0.00 C ATOM 0 HA PRO A 25 8.181 4.217 -12.389 1.00 0.00 H new ATOM 0 HB2 PRO A 25 7.150 6.697 -12.938 1.00 0.00 H new ATOM 0 HB3 PRO A 25 7.842 5.728 -14.224 1.00 0.00 H new ATOM 0 HG2 PRO A 25 4.891 6.030 -13.473 1.00 0.00 H new ATOM 0 HG3 PRO A 25 5.609 6.078 -15.071 1.00 0.00 H new ATOM 0 HD2 PRO A 25 4.476 3.779 -14.122 1.00 0.00 H new ATOM 0 HD3 PRO A 25 5.874 3.721 -15.178 1.00 0.00 H new ATOM 454 N HIS A 26 7.631 5.140 -10.185 1.00 0.00 N ATOM 455 CA HIS A 26 7.403 5.436 -8.765 1.00 0.00 C ATOM 456 C HIS A 26 6.772 6.830 -8.536 1.00 0.00 C ATOM 457 O HIS A 26 7.444 7.813 -8.219 1.00 0.00 O ATOM 458 CB HIS A 26 8.736 5.262 -8.031 1.00 0.00 C ATOM 459 CG HIS A 26 9.424 3.943 -8.297 1.00 0.00 C ATOM 460 ND1 HIS A 26 8.842 2.692 -8.297 1.00 0.00 N ATOM 461 CD2 HIS A 26 10.746 3.779 -8.613 1.00 0.00 C ATOM 462 CE1 HIS A 26 9.813 1.791 -8.540 1.00 0.00 C ATOM 463 NE2 HIS A 26 10.978 2.413 -8.747 1.00 0.00 N ATOM 0 H HIS A 26 8.622 5.120 -10.424 1.00 0.00 H new ATOM 0 HA HIS A 26 6.668 4.739 -8.361 1.00 0.00 H new ATOM 0 HB2 HIS A 26 9.405 6.072 -8.320 1.00 0.00 H new ATOM 0 HB3 HIS A 26 8.563 5.359 -6.959 1.00 0.00 H new ATOM 0 HD2 HIS A 26 11.476 4.566 -8.736 1.00 0.00 H new ATOM 0 HE1 HIS A 26 9.671 0.721 -8.564 1.00 0.00 H new ATOM 0 HE2 HIS A 26 11.871 1.969 -8.963 1.00 0.00 H new ATOM 471 N LYS A 27 5.456 6.903 -8.760 1.00 0.00 N ATOM 472 CA LYS A 27 4.660 8.098 -9.109 1.00 0.00 C ATOM 473 C LYS A 27 4.744 9.235 -8.077 1.00 0.00 C ATOM 474 O LYS A 27 4.851 10.401 -8.465 1.00 0.00 O ATOM 475 CB LYS A 27 3.210 7.611 -9.357 1.00 0.00 C ATOM 476 CG LYS A 27 2.354 8.395 -10.370 1.00 0.00 C ATOM 477 CD LYS A 27 1.934 9.802 -9.918 1.00 0.00 C ATOM 478 CE LYS A 27 2.773 10.888 -10.606 1.00 0.00 C ATOM 479 NZ LYS A 27 2.995 12.049 -9.715 1.00 0.00 N ATOM 0 H LYS A 27 4.870 6.070 -8.699 1.00 0.00 H new ATOM 0 HA LYS A 27 5.071 8.559 -10.007 1.00 0.00 H new ATOM 0 HB2 LYS A 27 3.257 6.574 -9.689 1.00 0.00 H new ATOM 0 HB3 LYS A 27 2.687 7.616 -8.401 1.00 0.00 H new ATOM 0 HG2 LYS A 27 2.911 8.481 -11.303 1.00 0.00 H new ATOM 0 HG3 LYS A 27 1.456 7.817 -10.587 1.00 0.00 H new ATOM 0 HD2 LYS A 27 0.879 9.958 -10.144 1.00 0.00 H new ATOM 0 HD3 LYS A 27 2.044 9.886 -8.837 1.00 0.00 H new ATOM 0 HE2 LYS A 27 3.734 10.470 -10.907 1.00 0.00 H new ATOM 0 HE3 LYS A 27 2.269 11.217 -11.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 3.319 12.861 -10.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 2.105 12.293 -9.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 3.717 11.809 -9.006 1.00 0.00 H new ATOM 493 N VAL A 28 4.662 8.907 -6.788 1.00 0.00 N ATOM 494 CA VAL A 28 4.948 9.751 -5.601 1.00 0.00 C ATOM 495 C VAL A 28 5.528 8.879 -4.481 1.00 0.00 C ATOM 496 O VAL A 28 6.437 9.305 -3.767 1.00 0.00 O ATOM 497 CB VAL A 28 3.691 10.475 -5.069 1.00 0.00 C ATOM 498 CG1 VAL A 28 3.977 11.320 -3.819 1.00 0.00 C ATOM 499 CG2 VAL A 28 3.063 11.418 -6.101 1.00 0.00 C ATOM 0 H VAL A 28 4.371 7.969 -6.511 1.00 0.00 H new ATOM 0 HA VAL A 28 5.663 10.512 -5.914 1.00 0.00 H new ATOM 0 HB VAL A 28 3.004 9.663 -4.832 1.00 0.00 H new ATOM 0 HG11 VAL A 28 3.058 11.805 -3.490 1.00 0.00 H new ATOM 0 HG12 VAL A 28 4.353 10.677 -3.023 1.00 0.00 H new ATOM 0 HG13 VAL A 28 4.723 12.078 -4.055 1.00 0.00 H new ATOM 0 HG21 VAL A 28 2.184 11.897 -5.669 1.00 0.00 H new ATOM 0 HG22 VAL A 28 3.788 12.180 -6.386 1.00 0.00 H new ATOM 0 HG23 VAL A 28 2.769 10.849 -6.983 1.00 0.00 H new ATOM 509 N GLY A 29 5.035 7.642 -4.374 1.00 0.00 N ATOM 510 CA GLY A 29 5.651 6.499 -3.704 1.00 0.00 C ATOM 511 C GLY A 29 5.907 5.337 -4.685 1.00 0.00 C ATOM 512 O GLY A 29 5.681 5.477 -5.892 1.00 0.00 O ATOM 0 H GLY A 29 4.133 7.399 -4.782 1.00 0.00 H new ATOM 0 HA2 GLY A 29 6.593 6.807 -3.250 1.00 0.00 H new ATOM 0 HA3 GLY A 29 5.004 6.158 -2.896 1.00 0.00 H new ATOM 516 N PRO A 30 6.416 4.196 -4.186 1.00 0.00 N ATOM 517 CA PRO A 30 6.924 3.109 -5.026 1.00 0.00 C ATOM 518 C PRO A 30 5.846 2.257 -5.720 1.00 0.00 C ATOM 519 O PRO A 30 4.644 2.378 -5.490 1.00 0.00 O ATOM 520 CB PRO A 30 7.792 2.265 -4.084 1.00 0.00 C ATOM 521 CG PRO A 30 7.115 2.457 -2.729 1.00 0.00 C ATOM 522 CD PRO A 30 6.688 3.919 -2.782 1.00 0.00 C ATOM 0 HA PRO A 30 7.475 3.523 -5.870 1.00 0.00 H new ATOM 0 HB2 PRO A 30 7.809 1.217 -4.382 1.00 0.00 H new ATOM 0 HB3 PRO A 30 8.826 2.609 -4.071 1.00 0.00 H new ATOM 0 HG2 PRO A 30 6.263 1.789 -2.602 1.00 0.00 H new ATOM 0 HG3 PRO A 30 7.798 2.263 -1.902 1.00 0.00 H new ATOM 0 HD2 PRO A 30 5.803 4.091 -2.170 1.00 0.00 H new ATOM 0 HD3 PRO A 30 7.473 4.571 -2.399 1.00 0.00 H new ATOM 530 N ASN A 31 6.317 1.376 -6.606 1.00 0.00 N ATOM 531 CA ASN A 31 5.507 0.496 -7.439 1.00 0.00 C ATOM 532 C ASN A 31 5.080 -0.765 -6.658 1.00 0.00 C ATOM 533 O ASN A 31 5.884 -1.675 -6.471 1.00 0.00 O ATOM 534 CB ASN A 31 6.335 0.180 -8.695 1.00 0.00 C ATOM 535 CG ASN A 31 5.522 -0.607 -9.693 1.00 0.00 C ATOM 536 OD1 ASN A 31 4.911 -0.070 -10.595 1.00 0.00 O ATOM 537 ND2 ASN A 31 5.427 -1.898 -9.533 1.00 0.00 N ATOM 0 H ASN A 31 7.317 1.254 -6.766 1.00 0.00 H new ATOM 0 HA ASN A 31 4.574 0.974 -7.736 1.00 0.00 H new ATOM 0 HB2 ASN A 31 6.679 1.108 -9.152 1.00 0.00 H new ATOM 0 HB3 ASN A 31 7.224 -0.387 -8.416 1.00 0.00 H new ATOM 0 HD21 ASN A 31 4.843 -2.448 -10.163 1.00 0.00 H new ATOM 0 HD22 ASN A 31 5.937 -2.357 -8.778 1.00 0.00 H new ATOM 544 N LEU A 32 3.822 -0.818 -6.212 1.00 0.00 N ATOM 545 CA LEU A 32 3.250 -1.793 -5.273 1.00 0.00 C ATOM 546 C LEU A 32 3.126 -3.229 -5.833 1.00 0.00 C ATOM 547 O LEU A 32 2.625 -4.129 -5.161 1.00 0.00 O ATOM 548 CB LEU A 32 1.884 -1.267 -4.774 1.00 0.00 C ATOM 549 CG LEU A 32 1.893 0.116 -4.082 1.00 0.00 C ATOM 550 CD1 LEU A 32 0.478 0.475 -3.624 1.00 0.00 C ATOM 551 CD2 LEU A 32 2.808 0.167 -2.852 1.00 0.00 C ATOM 0 H LEU A 32 3.128 -0.136 -6.517 1.00 0.00 H new ATOM 0 HA LEU A 32 3.952 -1.885 -4.444 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.204 -1.219 -5.625 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.471 -1.996 -4.077 1.00 0.00 H new ATOM 0 HG LEU A 32 2.270 0.823 -4.820 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.490 1.450 -3.137 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.186 0.508 -4.487 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.121 -0.277 -2.921 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.770 1.163 -2.412 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.473 -0.567 -2.119 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.832 -0.059 -3.150 1.00 0.00 H new ATOM 563 N HIS A 33 3.605 -3.479 -7.051 1.00 0.00 N ATOM 564 CA HIS A 33 3.800 -4.824 -7.601 1.00 0.00 C ATOM 565 C HIS A 33 4.881 -5.628 -6.842 1.00 0.00 C ATOM 566 O HIS A 33 6.039 -5.684 -7.258 1.00 0.00 O ATOM 567 CB HIS A 33 4.112 -4.737 -9.097 1.00 0.00 C ATOM 568 CG HIS A 33 3.792 -6.034 -9.767 1.00 0.00 C ATOM 569 ND1 HIS A 33 2.550 -6.409 -10.211 1.00 0.00 N ATOM 570 CD2 HIS A 33 4.629 -7.106 -9.884 1.00 0.00 C ATOM 571 CE1 HIS A 33 2.636 -7.685 -10.620 1.00 0.00 C ATOM 572 NE2 HIS A 33 3.898 -8.136 -10.477 1.00 0.00 N ATOM 0 H HIS A 33 3.875 -2.738 -7.698 1.00 0.00 H new ATOM 0 HA HIS A 33 2.868 -5.374 -7.466 1.00 0.00 H new ATOM 0 HB2 HIS A 33 3.533 -3.932 -9.550 1.00 0.00 H new ATOM 0 HB3 HIS A 33 5.164 -4.494 -9.243 1.00 0.00 H new ATOM 0 HD1 HIS A 33 1.714 -5.825 -10.228 1.00 0.00 H new ATOM 0 HD2 HIS A 33 5.663 -7.149 -9.575 1.00 0.00 H new ATOM 0 HE1 HIS A 33 1.812 -8.266 -11.008 1.00 0.00 H new ATOM 580 N GLY A 34 4.500 -6.273 -5.736 1.00 0.00 N ATOM 581 CA GLY A 34 5.380 -7.169 -4.970 1.00 0.00 C ATOM 582 C GLY A 34 6.042 -6.544 -3.736 1.00 0.00 C ATOM 583 O GLY A 34 7.182 -6.876 -3.407 1.00 0.00 O ATOM 0 H GLY A 34 3.563 -6.189 -5.341 1.00 0.00 H new ATOM 0 HA2 GLY A 34 4.800 -8.035 -4.651 1.00 0.00 H new ATOM 0 HA3 GLY A 34 6.162 -7.537 -5.634 1.00 0.00 H new ATOM 587 N ILE A 35 5.370 -5.621 -3.038 1.00 0.00 N ATOM 588 CA ILE A 35 5.667 -5.360 -1.620 1.00 0.00 C ATOM 589 C ILE A 35 5.200 -6.509 -0.707 1.00 0.00 C ATOM 590 O ILE A 35 5.835 -6.768 0.310 1.00 0.00 O ATOM 591 CB ILE A 35 5.116 -4.006 -1.123 1.00 0.00 C ATOM 592 CG1 ILE A 35 3.594 -3.940 -0.859 1.00 0.00 C ATOM 593 CG2 ILE A 35 5.594 -2.844 -2.008 1.00 0.00 C ATOM 594 CD1 ILE A 35 2.686 -4.084 -2.081 1.00 0.00 C ATOM 0 H ILE A 35 4.623 -5.045 -3.426 1.00 0.00 H new ATOM 0 HA ILE A 35 6.754 -5.301 -1.559 1.00 0.00 H new ATOM 0 HB ILE A 35 5.549 -3.899 -0.128 1.00 0.00 H new ATOM 0 HG12 ILE A 35 3.336 -4.724 -0.147 1.00 0.00 H new ATOM 0 HG13 ILE A 35 3.371 -2.987 -0.378 1.00 0.00 H new ATOM 0 HG21 ILE A 35 5.187 -1.907 -1.629 1.00 0.00 H new ATOM 0 HG22 ILE A 35 6.683 -2.799 -1.993 1.00 0.00 H new ATOM 0 HG23 ILE A 35 5.251 -3.001 -3.031 1.00 0.00 H new ATOM 0 HD11 ILE A 35 1.643 -4.021 -1.769 1.00 0.00 H new ATOM 0 HD12 ILE A 35 2.901 -3.285 -2.790 1.00 0.00 H new ATOM 0 HD13 ILE A 35 2.865 -5.049 -2.556 1.00 0.00 H new ATOM 606 N PHE A 36 4.098 -7.183 -1.060 1.00 0.00 N ATOM 607 CA PHE A 36 3.450 -8.267 -0.321 1.00 0.00 C ATOM 608 C PHE A 36 4.387 -9.464 -0.106 1.00 0.00 C ATOM 609 O PHE A 36 5.103 -9.891 -1.004 1.00 0.00 O ATOM 610 CB PHE A 36 2.152 -8.713 -1.026 1.00 0.00 C ATOM 611 CG PHE A 36 0.925 -7.861 -0.726 1.00 0.00 C ATOM 612 CD1 PHE A 36 0.309 -7.941 0.539 1.00 0.00 C ATOM 613 CD2 PHE A 36 0.352 -7.038 -1.716 1.00 0.00 C ATOM 614 CE1 PHE A 36 -0.849 -7.195 0.817 1.00 0.00 C ATOM 615 CE2 PHE A 36 -0.817 -6.306 -1.444 1.00 0.00 C ATOM 616 CZ PHE A 36 -1.414 -6.376 -0.174 1.00 0.00 C ATOM 0 H PHE A 36 3.605 -6.969 -1.927 1.00 0.00 H new ATOM 0 HA PHE A 36 3.196 -7.874 0.664 1.00 0.00 H new ATOM 0 HB2 PHE A 36 2.323 -8.709 -2.103 1.00 0.00 H new ATOM 0 HB3 PHE A 36 1.938 -9.743 -0.741 1.00 0.00 H new ATOM 0 HD1 PHE A 36 0.730 -8.581 1.301 1.00 0.00 H new ATOM 0 HD2 PHE A 36 0.814 -6.969 -2.690 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -1.305 -7.252 1.794 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -1.257 -5.688 -2.213 1.00 0.00 H new ATOM 0 HZ PHE A 36 -2.304 -5.802 0.039 1.00 0.00 H new ATOM 626 N GLY A 37 4.372 -9.996 1.111 1.00 0.00 N ATOM 627 CA GLY A 37 5.240 -11.089 1.569 1.00 0.00 C ATOM 628 C GLY A 37 6.708 -10.681 1.747 1.00 0.00 C ATOM 629 O GLY A 37 7.558 -11.510 2.068 1.00 0.00 O ATOM 0 H GLY A 37 3.734 -9.670 1.837 1.00 0.00 H new ATOM 0 HA2 GLY A 37 4.861 -11.469 2.518 1.00 0.00 H new ATOM 0 HA3 GLY A 37 5.185 -11.909 0.853 1.00 0.00 H new ATOM 633 N ARG A 38 7.013 -9.392 1.551 1.00 0.00 N ATOM 634 CA ARG A 38 8.330 -8.750 1.604 1.00 0.00 C ATOM 635 C ARG A 38 8.286 -7.569 2.586 1.00 0.00 C ATOM 636 O ARG A 38 7.221 -7.199 3.076 1.00 0.00 O ATOM 637 CB ARG A 38 8.724 -8.412 0.154 1.00 0.00 C ATOM 638 CG ARG A 38 10.098 -7.786 0.009 1.00 0.00 C ATOM 639 CD ARG A 38 10.611 -7.901 -1.423 1.00 0.00 C ATOM 640 NE ARG A 38 9.932 -7.016 -2.398 1.00 0.00 N ATOM 641 CZ ARG A 38 10.499 -6.431 -3.440 1.00 0.00 C ATOM 642 NH1 ARG A 38 11.733 -6.651 -3.770 1.00 0.00 N ATOM 643 NH2 ARG A 38 9.837 -5.631 -4.219 1.00 0.00 N ATOM 0 H ARG A 38 6.282 -8.715 1.333 1.00 0.00 H new ATOM 0 HA ARG A 38 9.115 -9.394 2.000 1.00 0.00 H new ATOM 0 HB2 ARG A 38 8.689 -9.324 -0.441 1.00 0.00 H new ATOM 0 HB3 ARG A 38 7.982 -7.731 -0.262 1.00 0.00 H new ATOM 0 HG2 ARG A 38 10.054 -6.736 0.299 1.00 0.00 H new ATOM 0 HG3 ARG A 38 10.796 -8.275 0.688 1.00 0.00 H new ATOM 0 HD2 ARG A 38 11.678 -7.677 -1.431 1.00 0.00 H new ATOM 0 HD3 ARG A 38 10.500 -8.934 -1.752 1.00 0.00 H new ATOM 0 HE ARG A 38 8.938 -6.842 -2.253 1.00 0.00 H new ATOM 0 HH11 ARG A 38 12.301 -7.294 -3.219 1.00 0.00 H new ATOM 0 HH12 ARG A 38 12.136 -6.181 -4.581 1.00 0.00 H new ATOM 0 HH21 ARG A 38 8.852 -5.439 -4.035 1.00 0.00 H new ATOM 0 HH22 ARG A 38 10.302 -5.194 -5.015 1.00 0.00 H new ATOM 657 N HIS A 39 9.443 -7.036 2.959 1.00 0.00 N ATOM 658 CA HIS A 39 9.547 -6.029 4.021 1.00 0.00 C ATOM 659 C HIS A 39 9.479 -4.601 3.478 1.00 0.00 C ATOM 660 O HIS A 39 9.913 -4.346 2.356 1.00 0.00 O ATOM 661 CB HIS A 39 10.841 -6.248 4.810 1.00 0.00 C ATOM 662 CG HIS A 39 10.828 -7.558 5.547 1.00 0.00 C ATOM 663 ND1 HIS A 39 11.446 -8.729 5.166 1.00 0.00 N ATOM 664 CD2 HIS A 39 10.103 -7.817 6.676 1.00 0.00 C ATOM 665 CE1 HIS A 39 11.094 -9.677 6.053 1.00 0.00 C ATOM 666 NE2 HIS A 39 10.272 -9.168 6.981 1.00 0.00 N ATOM 0 H HIS A 39 10.338 -7.286 2.538 1.00 0.00 H new ATOM 0 HA HIS A 39 8.690 -6.152 4.683 1.00 0.00 H new ATOM 0 HB2 HIS A 39 11.691 -6.222 4.129 1.00 0.00 H new ATOM 0 HB3 HIS A 39 10.977 -5.432 5.520 1.00 0.00 H new ATOM 0 HD2 HIS A 39 9.508 -7.106 7.231 1.00 0.00 H new ATOM 0 HE1 HIS A 39 11.427 -10.704 6.022 1.00 0.00 H new ATOM 0 HE2 HIS A 39 9.850 -9.672 7.761 1.00 0.00 H new ATOM 674 N SER A 40 8.987 -3.656 4.281 1.00 0.00 N ATOM 675 CA SER A 40 8.944 -2.237 3.913 1.00 0.00 C ATOM 676 C SER A 40 10.318 -1.651 3.607 1.00 0.00 C ATOM 677 O SER A 40 11.332 -2.059 4.184 1.00 0.00 O ATOM 678 CB SER A 40 8.226 -1.403 4.979 1.00 0.00 C ATOM 679 OG SER A 40 8.991 -1.244 6.154 1.00 0.00 O ATOM 0 H SER A 40 8.606 -3.852 5.207 1.00 0.00 H new ATOM 0 HA SER A 40 8.371 -2.189 2.987 1.00 0.00 H new ATOM 0 HB2 SER A 40 7.991 -0.421 4.568 1.00 0.00 H new ATOM 0 HB3 SER A 40 7.278 -1.879 5.229 1.00 0.00 H new ATOM 0 HG SER A 40 9.445 -0.376 6.134 1.00 0.00 H new ATOM 685 N GLY A 41 10.313 -0.655 2.722 1.00 0.00 N ATOM 686 CA GLY A 41 11.529 0.046 2.300 1.00 0.00 C ATOM 687 C GLY A 41 12.426 -0.738 1.329 1.00 0.00 C ATOM 688 O GLY A 41 13.643 -0.723 1.511 1.00 0.00 O ATOM 0 H GLY A 41 9.464 -0.309 2.275 1.00 0.00 H new ATOM 0 HA2 GLY A 41 11.243 0.986 1.828 1.00 0.00 H new ATOM 0 HA3 GLY A 41 12.111 0.298 3.186 1.00 0.00 H new ATOM 692 N GLN A 42 11.861 -1.446 0.334 1.00 0.00 N ATOM 693 CA GLN A 42 12.620 -2.372 -0.538 1.00 0.00 C ATOM 694 C GLN A 42 12.457 -2.206 -2.070 1.00 0.00 C ATOM 695 O GLN A 42 13.083 -2.969 -2.796 1.00 0.00 O ATOM 696 CB GLN A 42 12.386 -3.834 -0.092 1.00 0.00 C ATOM 697 CG GLN A 42 12.972 -4.092 1.307 1.00 0.00 C ATOM 698 CD GLN A 42 13.099 -5.566 1.684 1.00 0.00 C ATOM 699 OE1 GLN A 42 12.546 -6.486 1.098 1.00 0.00 O ATOM 700 NE2 GLN A 42 13.877 -5.868 2.700 1.00 0.00 N ATOM 0 H GLN A 42 10.867 -1.395 0.109 1.00 0.00 H new ATOM 0 HA GLN A 42 13.660 -2.084 -0.387 1.00 0.00 H new ATOM 0 HB2 GLN A 42 11.317 -4.048 -0.086 1.00 0.00 H new ATOM 0 HB3 GLN A 42 12.843 -4.514 -0.811 1.00 0.00 H new ATOM 0 HG2 GLN A 42 13.958 -3.630 1.364 1.00 0.00 H new ATOM 0 HG3 GLN A 42 12.344 -3.595 2.046 1.00 0.00 H new ATOM 0 HE21 GLN A 42 14.355 -5.128 3.214 1.00 0.00 H new ATOM 0 HE22 GLN A 42 14.002 -6.842 2.975 1.00 0.00 H new ATOM 741 N TYR A 46 14.724 2.958 -5.593 1.00 0.00 N ATOM 742 CA TYR A 46 14.018 4.148 -5.118 1.00 0.00 C ATOM 743 C TYR A 46 14.285 4.460 -3.640 1.00 0.00 C ATOM 744 O TYR A 46 14.177 3.598 -2.768 1.00 0.00 O ATOM 745 CB TYR A 46 12.536 3.965 -5.440 1.00 0.00 C ATOM 746 CG TYR A 46 11.689 5.176 -5.120 1.00 0.00 C ATOM 747 CD1 TYR A 46 11.277 5.385 -3.795 1.00 0.00 C ATOM 748 CD2 TYR A 46 11.327 6.094 -6.123 1.00 0.00 C ATOM 749 CE1 TYR A 46 10.419 6.454 -3.480 1.00 0.00 C ATOM 750 CE2 TYR A 46 10.452 7.153 -5.824 1.00 0.00 C ATOM 751 CZ TYR A 46 9.978 7.313 -4.507 1.00 0.00 C ATOM 752 OH TYR A 46 9.086 8.297 -4.242 1.00 0.00 O ATOM 0 HA TYR A 46 14.397 5.030 -5.635 1.00 0.00 H new ATOM 0 HB2 TYR A 46 12.430 3.728 -6.499 1.00 0.00 H new ATOM 0 HB3 TYR A 46 12.155 3.109 -4.883 1.00 0.00 H new ATOM 0 HD1 TYR A 46 11.620 4.722 -3.014 1.00 0.00 H new ATOM 0 HD2 TYR A 46 11.721 5.985 -7.123 1.00 0.00 H new ATOM 0 HE1 TYR A 46 10.101 6.615 -2.461 1.00 0.00 H new ATOM 0 HE2 TYR A 46 10.145 7.840 -6.599 1.00 0.00 H new ATOM 0 HH TYR A 46 8.182 7.920 -4.215 1.00 0.00 H new ATOM 762 N SER A 47 14.609 5.724 -3.357 1.00 0.00 N ATOM 763 CA SER A 47 14.904 6.262 -2.021 1.00 0.00 C ATOM 764 C SER A 47 13.647 6.497 -1.172 1.00 0.00 C ATOM 765 O SER A 47 12.846 7.384 -1.466 1.00 0.00 O ATOM 766 CB SER A 47 15.656 7.588 -2.142 1.00 0.00 C ATOM 767 OG SER A 47 16.839 7.397 -2.891 1.00 0.00 O ATOM 0 H SER A 47 14.677 6.435 -4.085 1.00 0.00 H new ATOM 0 HA SER A 47 15.512 5.508 -1.520 1.00 0.00 H new ATOM 0 HB2 SER A 47 15.024 8.333 -2.626 1.00 0.00 H new ATOM 0 HB3 SER A 47 15.899 7.971 -1.151 1.00 0.00 H new ATOM 0 HG SER A 47 17.318 8.248 -2.969 1.00 0.00 H new ATOM 773 N TYR A 48 13.506 5.720 -0.100 1.00 0.00 N ATOM 774 CA TYR A 48 12.475 5.888 0.930 1.00 0.00 C ATOM 775 C TYR A 48 12.838 6.942 1.987 1.00 0.00 C ATOM 776 O TYR A 48 13.991 7.348 2.132 1.00 0.00 O ATOM 777 CB TYR A 48 12.279 4.541 1.634 1.00 0.00 C ATOM 778 CG TYR A 48 11.559 3.507 0.804 1.00 0.00 C ATOM 779 CD1 TYR A 48 12.252 2.751 -0.158 1.00 0.00 C ATOM 780 CD2 TYR A 48 10.186 3.286 1.016 1.00 0.00 C ATOM 781 CE1 TYR A 48 11.579 1.753 -0.882 1.00 0.00 C ATOM 782 CE2 TYR A 48 9.516 2.278 0.305 1.00 0.00 C ATOM 783 CZ TYR A 48 10.218 1.482 -0.623 1.00 0.00 C ATOM 784 OH TYR A 48 9.600 0.431 -1.226 1.00 0.00 O ATOM 0 H TYR A 48 14.124 4.930 0.084 1.00 0.00 H new ATOM 0 HA TYR A 48 11.568 6.232 0.432 1.00 0.00 H new ATOM 0 HB2 TYR A 48 13.255 4.147 1.918 1.00 0.00 H new ATOM 0 HB3 TYR A 48 11.720 4.704 2.556 1.00 0.00 H new ATOM 0 HD1 TYR A 48 13.300 2.937 -0.340 1.00 0.00 H new ATOM 0 HD2 TYR A 48 9.646 3.893 1.727 1.00 0.00 H new ATOM 0 HE1 TYR A 48 12.105 1.191 -1.640 1.00 0.00 H new ATOM 0 HE2 TYR A 48 8.462 2.112 0.469 1.00 0.00 H new ATOM 0 HH TYR A 48 8.665 0.390 -0.934 1.00 0.00 H new ATOM 794 N THR A 49 11.855 7.320 2.799 1.00 0.00 N ATOM 795 CA THR A 49 12.061 7.929 4.120 1.00 0.00 C ATOM 796 C THR A 49 12.658 6.929 5.112 1.00 0.00 C ATOM 797 O THR A 49 12.226 5.778 5.200 1.00 0.00 O ATOM 798 CB THR A 49 10.752 8.485 4.714 1.00 0.00 C ATOM 799 OG1 THR A 49 9.693 7.555 4.693 1.00 0.00 O ATOM 800 CG2 THR A 49 10.286 9.717 3.957 1.00 0.00 C ATOM 0 H THR A 49 10.870 7.211 2.557 1.00 0.00 H new ATOM 0 HA THR A 49 12.758 8.752 3.963 1.00 0.00 H new ATOM 0 HB THR A 49 10.993 8.726 5.749 1.00 0.00 H new ATOM 0 HG1 THR A 49 9.283 7.506 5.582 1.00 0.00 H new ATOM 0 HG21 THR A 49 9.361 10.087 4.399 1.00 0.00 H new ATOM 0 HG22 THR A 49 11.051 10.491 4.016 1.00 0.00 H new ATOM 0 HG23 THR A 49 10.112 9.458 2.913 1.00 0.00 H new ATOM 808 N ASP A 50 13.616 7.396 5.919 1.00 0.00 N ATOM 809 CA ASP A 50 14.264 6.638 7.002 1.00 0.00 C ATOM 810 C ASP A 50 13.261 5.882 7.896 1.00 0.00 C ATOM 811 O ASP A 50 13.435 4.693 8.148 1.00 0.00 O ATOM 812 CB ASP A 50 15.132 7.615 7.811 1.00 0.00 C ATOM 813 CG ASP A 50 15.827 6.945 8.996 1.00 0.00 C ATOM 814 OD1 ASP A 50 15.145 6.664 10.007 1.00 0.00 O ATOM 815 OD2 ASP A 50 17.052 6.683 8.944 1.00 0.00 O ATOM 0 H ASP A 50 13.977 8.346 5.836 1.00 0.00 H new ATOM 0 HA ASP A 50 14.886 5.857 6.564 1.00 0.00 H new ATOM 0 HB2 ASP A 50 15.884 8.055 7.156 1.00 0.00 H new ATOM 0 HB3 ASP A 50 14.509 8.432 8.175 1.00 0.00 H new ATOM 820 N ALA A 51 12.178 6.544 8.313 1.00 0.00 N ATOM 821 CA ALA A 51 11.131 5.953 9.140 1.00 0.00 C ATOM 822 C ALA A 51 10.429 4.742 8.485 1.00 0.00 C ATOM 823 O ALA A 51 10.084 3.788 9.184 1.00 0.00 O ATOM 824 CB ALA A 51 10.132 7.063 9.502 1.00 0.00 C ATOM 0 H ALA A 51 12.005 7.522 8.080 1.00 0.00 H new ATOM 0 HA ALA A 51 11.592 5.544 10.039 1.00 0.00 H new ATOM 0 HB1 ALA A 51 9.337 6.649 10.121 1.00 0.00 H new ATOM 0 HB2 ALA A 51 10.647 7.851 10.052 1.00 0.00 H new ATOM 0 HB3 ALA A 51 9.703 7.478 8.590 1.00 0.00 H new ATOM 830 N ASN A 52 10.232 4.742 7.158 1.00 0.00 N ATOM 831 CA ASN A 52 9.660 3.606 6.419 1.00 0.00 C ATOM 832 C ASN A 52 10.671 2.452 6.240 1.00 0.00 C ATOM 833 O ASN A 52 10.284 1.282 6.159 1.00 0.00 O ATOM 834 CB ASN A 52 9.102 4.116 5.074 1.00 0.00 C ATOM 835 CG ASN A 52 8.164 3.127 4.394 1.00 0.00 C ATOM 836 OD1 ASN A 52 6.952 3.272 4.427 1.00 0.00 O ATOM 837 ND2 ASN A 52 8.682 2.104 3.756 1.00 0.00 N ATOM 0 H ASN A 52 10.467 5.536 6.563 1.00 0.00 H new ATOM 0 HA ASN A 52 8.843 3.180 7.001 1.00 0.00 H new ATOM 0 HB2 ASN A 52 8.571 5.053 5.241 1.00 0.00 H new ATOM 0 HB3 ASN A 52 9.933 4.336 4.404 1.00 0.00 H new ATOM 0 HD21 ASN A 52 8.073 1.432 3.289 1.00 0.00 H new ATOM 0 HD22 ASN A 52 9.694 1.980 3.727 1.00 0.00 H new ATOM 844 N ILE A 53 11.973 2.768 6.225 1.00 0.00 N ATOM 845 CA ILE A 53 13.074 1.790 6.231 1.00 0.00 C ATOM 846 C ILE A 53 13.208 1.145 7.610 1.00 0.00 C ATOM 847 O ILE A 53 13.027 -0.060 7.726 1.00 0.00 O ATOM 848 CB ILE A 53 14.409 2.425 5.793 1.00 0.00 C ATOM 849 CG1 ILE A 53 14.311 2.997 4.360 1.00 0.00 C ATOM 850 CG2 ILE A 53 15.566 1.406 5.864 1.00 0.00 C ATOM 851 CD1 ILE A 53 15.462 3.944 3.992 1.00 0.00 C ATOM 0 H ILE A 53 12.300 3.734 6.208 1.00 0.00 H new ATOM 0 HA ILE A 53 12.830 1.016 5.504 1.00 0.00 H new ATOM 0 HB ILE A 53 14.618 3.240 6.486 1.00 0.00 H new ATOM 0 HG12 ILE A 53 14.291 2.171 3.649 1.00 0.00 H new ATOM 0 HG13 ILE A 53 13.366 3.530 4.255 1.00 0.00 H new ATOM 0 HG21 ILE A 53 16.493 1.885 5.549 1.00 0.00 H new ATOM 0 HG22 ILE A 53 15.673 1.047 6.888 1.00 0.00 H new ATOM 0 HG23 ILE A 53 15.351 0.564 5.206 1.00 0.00 H new ATOM 0 HD11 ILE A 53 15.325 4.305 2.973 1.00 0.00 H new ATOM 0 HD12 ILE A 53 15.470 4.791 4.679 1.00 0.00 H new ATOM 0 HD13 ILE A 53 16.410 3.410 4.063 1.00 0.00 H new ATOM 863 N LYS A 54 13.445 1.924 8.674 1.00 0.00 N ATOM 864 CA LYS A 54 13.522 1.430 10.061 1.00 0.00 C ATOM 865 C LYS A 54 12.238 0.745 10.554 1.00 0.00 C ATOM 866 O LYS A 54 12.222 0.228 11.667 1.00 0.00 O ATOM 867 CB LYS A 54 13.937 2.559 11.023 1.00 0.00 C ATOM 868 CG LYS A 54 15.354 3.091 10.751 1.00 0.00 C ATOM 869 CD LYS A 54 16.021 3.574 12.050 1.00 0.00 C ATOM 870 CE LYS A 54 17.369 4.246 11.761 1.00 0.00 C ATOM 871 NZ LYS A 54 17.184 5.669 11.407 1.00 0.00 N ATOM 0 H LYS A 54 13.591 2.931 8.597 1.00 0.00 H new ATOM 0 HA LYS A 54 14.290 0.657 10.055 1.00 0.00 H new ATOM 0 HB2 LYS A 54 13.225 3.380 10.940 1.00 0.00 H new ATOM 0 HB3 LYS A 54 13.883 2.193 12.048 1.00 0.00 H new ATOM 0 HG2 LYS A 54 15.960 2.307 10.297 1.00 0.00 H new ATOM 0 HG3 LYS A 54 15.307 3.912 10.035 1.00 0.00 H new ATOM 0 HD2 LYS A 54 15.363 4.277 12.561 1.00 0.00 H new ATOM 0 HD3 LYS A 54 16.169 2.729 12.723 1.00 0.00 H new ATOM 0 HE2 LYS A 54 18.015 4.166 12.635 1.00 0.00 H new ATOM 0 HE3 LYS A 54 17.871 3.726 10.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 17.702 5.879 10.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 16.172 5.863 11.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 17.548 6.268 12.175 1.00 0.00 H new ATOM 885 N LYS A 55 11.163 0.727 9.755 1.00 0.00 N ATOM 886 CA LYS A 55 9.981 -0.098 10.055 1.00 0.00 C ATOM 887 C LYS A 55 10.126 -1.569 9.646 1.00 0.00 C ATOM 888 O LYS A 55 9.532 -2.404 10.321 1.00 0.00 O ATOM 889 CB LYS A 55 8.706 0.546 9.470 1.00 0.00 C ATOM 890 CG LYS A 55 7.460 0.223 10.313 1.00 0.00 C ATOM 891 CD LYS A 55 7.416 1.025 11.627 1.00 0.00 C ATOM 892 CE LYS A 55 6.326 0.470 12.550 1.00 0.00 C ATOM 893 NZ LYS A 55 6.055 1.379 13.688 1.00 0.00 N ATOM 0 H LYS A 55 11.086 1.273 8.897 1.00 0.00 H new ATOM 0 HA LYS A 55 9.890 -0.122 11.141 1.00 0.00 H new ATOM 0 HB2 LYS A 55 8.837 1.627 9.416 1.00 0.00 H new ATOM 0 HB3 LYS A 55 8.556 0.192 8.450 1.00 0.00 H new ATOM 0 HG2 LYS A 55 6.565 0.437 9.730 1.00 0.00 H new ATOM 0 HG3 LYS A 55 7.445 -0.843 10.540 1.00 0.00 H new ATOM 0 HD2 LYS A 55 8.384 0.975 12.125 1.00 0.00 H new ATOM 0 HD3 LYS A 55 7.221 2.076 11.414 1.00 0.00 H new ATOM 0 HE2 LYS A 55 5.410 0.318 11.980 1.00 0.00 H new ATOM 0 HE3 LYS A 55 6.632 -0.505 12.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 5.649 0.836 14.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 6.943 1.825 13.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 5.382 2.115 13.392 1.00 0.00 H new ATOM 907 N ASN A 56 10.854 -1.858 8.556 1.00 0.00 N ATOM 908 CA ASN A 56 10.920 -3.136 7.821 1.00 0.00 C ATOM 909 C ASN A 56 9.717 -4.061 8.089 1.00 0.00 C ATOM 910 O ASN A 56 9.868 -5.185 8.561 1.00 0.00 O ATOM 911 CB ASN A 56 12.281 -3.821 8.064 1.00 0.00 C ATOM 912 CG ASN A 56 13.475 -3.126 7.430 1.00 0.00 C ATOM 913 OD1 ASN A 56 14.541 -3.033 8.009 1.00 0.00 O ATOM 914 ND2 ASN A 56 13.384 -2.680 6.194 1.00 0.00 N ATOM 0 H ASN A 56 11.458 -1.154 8.132 1.00 0.00 H new ATOM 0 HA ASN A 56 10.847 -2.908 6.758 1.00 0.00 H new ATOM 0 HB2 ASN A 56 12.449 -3.890 9.139 1.00 0.00 H new ATOM 0 HB3 ASN A 56 12.230 -4.841 7.683 1.00 0.00 H new ATOM 0 HD21 ASN A 56 14.198 -2.266 5.740 1.00 0.00 H new ATOM 0 HD22 ASN A 56 12.499 -2.749 5.691 1.00 0.00 H new ATOM 921 N VAL A 57 8.505 -3.579 7.800 1.00 0.00 N ATOM 922 CA VAL A 57 7.270 -4.307 8.109 1.00 0.00 C ATOM 923 C VAL A 57 6.983 -5.333 7.019 1.00 0.00 C ATOM 924 O VAL A 57 7.003 -4.995 5.840 1.00 0.00 O ATOM 925 CB VAL A 57 6.103 -3.340 8.419 1.00 0.00 C ATOM 926 CG1 VAL A 57 5.205 -2.952 7.253 1.00 0.00 C ATOM 927 CG2 VAL A 57 5.260 -3.944 9.539 1.00 0.00 C ATOM 0 H VAL A 57 8.352 -2.678 7.348 1.00 0.00 H new ATOM 0 HA VAL A 57 7.398 -4.876 9.030 1.00 0.00 H new ATOM 0 HB VAL A 57 6.578 -2.401 8.704 1.00 0.00 H new ATOM 0 HG11 VAL A 57 4.428 -2.272 7.603 1.00 0.00 H new ATOM 0 HG12 VAL A 57 5.800 -2.459 6.484 1.00 0.00 H new ATOM 0 HG13 VAL A 57 4.743 -3.847 6.836 1.00 0.00 H new ATOM 0 HG21 VAL A 57 4.431 -3.275 9.772 1.00 0.00 H new ATOM 0 HG22 VAL A 57 4.868 -4.910 9.219 1.00 0.00 H new ATOM 0 HG23 VAL A 57 5.878 -4.079 10.427 1.00 0.00 H new ATOM 937 N LEU A 58 6.777 -6.601 7.385 1.00 0.00 N ATOM 938 CA LEU A 58 6.403 -7.645 6.429 1.00 0.00 C ATOM 939 C LEU A 58 4.977 -7.384 5.938 1.00 0.00 C ATOM 940 O LEU A 58 4.016 -7.534 6.690 1.00 0.00 O ATOM 941 CB LEU A 58 6.590 -9.040 7.054 1.00 0.00 C ATOM 942 CG LEU A 58 6.600 -10.175 6.007 1.00 0.00 C ATOM 943 CD1 LEU A 58 7.291 -11.411 6.584 1.00 0.00 C ATOM 944 CD2 LEU A 58 5.197 -10.597 5.562 1.00 0.00 C ATOM 0 H LEU A 58 6.864 -6.931 8.346 1.00 0.00 H new ATOM 0 HA LEU A 58 7.058 -7.619 5.558 1.00 0.00 H new ATOM 0 HB2 LEU A 58 7.526 -9.059 7.612 1.00 0.00 H new ATOM 0 HB3 LEU A 58 5.789 -9.221 7.770 1.00 0.00 H new ATOM 0 HG LEU A 58 7.133 -9.780 5.142 1.00 0.00 H new ATOM 0 HD11 LEU A 58 7.294 -12.207 5.839 1.00 0.00 H new ATOM 0 HD12 LEU A 58 8.318 -11.162 6.853 1.00 0.00 H new ATOM 0 HD13 LEU A 58 6.755 -11.746 7.472 1.00 0.00 H new ATOM 0 HD21 LEU A 58 5.274 -11.398 4.826 1.00 0.00 H new ATOM 0 HD22 LEU A 58 4.632 -10.950 6.425 1.00 0.00 H new ATOM 0 HD23 LEU A 58 4.684 -9.744 5.118 1.00 0.00 H new ATOM 956 N TRP A 59 4.832 -6.915 4.706 1.00 0.00 N ATOM 957 CA TRP A 59 3.536 -6.573 4.122 1.00 0.00 C ATOM 958 C TRP A 59 2.649 -7.804 3.888 1.00 0.00 C ATOM 959 O TRP A 59 2.802 -8.498 2.890 1.00 0.00 O ATOM 960 CB TRP A 59 3.760 -5.789 2.827 1.00 0.00 C ATOM 961 CG TRP A 59 4.424 -4.458 3.000 1.00 0.00 C ATOM 962 CD1 TRP A 59 5.607 -4.076 2.470 1.00 0.00 C ATOM 963 CD2 TRP A 59 3.965 -3.334 3.801 1.00 0.00 C ATOM 964 NE1 TRP A 59 5.862 -2.759 2.819 1.00 0.00 N ATOM 965 CE2 TRP A 59 4.921 -2.285 3.703 1.00 0.00 C ATOM 966 CE3 TRP A 59 2.851 -3.114 4.640 1.00 0.00 C ATOM 967 CZ2 TRP A 59 4.797 -1.077 4.406 1.00 0.00 C ATOM 968 CZ3 TRP A 59 2.708 -1.914 5.346 1.00 0.00 C ATOM 969 CH2 TRP A 59 3.665 -0.884 5.222 1.00 0.00 C ATOM 0 H TRP A 59 5.618 -6.759 4.075 1.00 0.00 H new ATOM 0 HA TRP A 59 2.995 -5.951 4.835 1.00 0.00 H new ATOM 0 HB2 TRP A 59 4.365 -6.395 2.153 1.00 0.00 H new ATOM 0 HB3 TRP A 59 2.796 -5.637 2.341 1.00 0.00 H new ATOM 0 HD1 TRP A 59 6.252 -4.699 1.869 1.00 0.00 H new ATOM 0 HE1 TRP A 59 6.647 -2.212 2.466 1.00 0.00 H new ATOM 0 HE3 TRP A 59 2.099 -3.883 4.738 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 5.554 -0.311 4.323 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 1.855 -1.774 5.994 1.00 0.00 H new ATOM 0 HH2 TRP A 59 3.530 0.048 5.750 1.00 0.00 H new ATOM 980 N ASP A 60 1.699 -8.068 4.783 1.00 0.00 N ATOM 981 CA ASP A 60 0.570 -8.978 4.529 1.00 0.00 C ATOM 982 C ASP A 60 -0.762 -8.208 4.449 1.00 0.00 C ATOM 983 O ASP A 60 -0.794 -6.983 4.575 1.00 0.00 O ATOM 984 CB ASP A 60 0.552 -10.139 5.543 1.00 0.00 C ATOM 985 CG ASP A 60 -0.387 -9.884 6.721 1.00 0.00 C ATOM 986 OD1 ASP A 60 -0.031 -9.100 7.623 1.00 0.00 O ATOM 987 OD2 ASP A 60 -1.521 -10.412 6.690 1.00 0.00 O ATOM 0 H ASP A 60 1.686 -7.655 5.716 1.00 0.00 H new ATOM 0 HA ASP A 60 0.708 -9.437 3.550 1.00 0.00 H new ATOM 0 HB2 ASP A 60 0.249 -11.054 5.035 1.00 0.00 H new ATOM 0 HB3 ASP A 60 1.562 -10.303 5.919 1.00 0.00 H new ATOM 992 N GLU A 61 -1.866 -8.920 4.217 1.00 0.00 N ATOM 993 CA GLU A 61 -3.212 -8.336 4.138 1.00 0.00 C ATOM 994 C GLU A 61 -3.632 -7.649 5.451 1.00 0.00 C ATOM 995 O GLU A 61 -4.152 -6.530 5.413 1.00 0.00 O ATOM 996 CB GLU A 61 -4.249 -9.397 3.716 1.00 0.00 C ATOM 997 CG GLU A 61 -3.990 -9.922 2.296 1.00 0.00 C ATOM 998 CD GLU A 61 -5.039 -10.930 1.794 1.00 0.00 C ATOM 999 OE1 GLU A 61 -5.043 -12.101 2.234 1.00 0.00 O ATOM 1000 OE2 GLU A 61 -5.680 -10.654 0.752 1.00 0.00 O ATOM 0 H GLU A 61 -1.854 -9.930 4.077 1.00 0.00 H new ATOM 0 HA GLU A 61 -3.177 -7.562 3.372 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -4.224 -10.229 4.420 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -5.249 -8.967 3.767 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -3.957 -9.077 1.609 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -3.008 -10.393 2.269 1.00 0.00 H new ATOM 1007 N ASN A 62 -3.400 -8.266 6.616 1.00 0.00 N ATOM 1008 CA ASN A 62 -3.791 -7.721 7.909 1.00 0.00 C ATOM 1009 C ASN A 62 -2.859 -6.590 8.393 1.00 0.00 C ATOM 1010 O ASN A 62 -3.347 -5.523 8.760 1.00 0.00 O ATOM 1011 CB ASN A 62 -4.012 -8.882 8.895 1.00 0.00 C ATOM 1012 CG ASN A 62 -2.819 -9.298 9.740 1.00 0.00 C ATOM 1013 OD1 ASN A 62 -2.565 -8.742 10.793 1.00 0.00 O ATOM 1014 ND2 ASN A 62 -2.107 -10.328 9.372 1.00 0.00 N ATOM 0 H ASN A 62 -2.929 -9.169 6.681 1.00 0.00 H new ATOM 0 HA ASN A 62 -4.746 -7.203 7.822 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -4.825 -8.607 9.567 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -4.346 -9.751 8.328 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -1.346 -10.660 9.965 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -2.311 -10.801 8.492 1.00 0.00 H new ATOM 1021 N ASN A 63 -1.535 -6.747 8.303 1.00 0.00 N ATOM 1022 CA ASN A 63 -0.588 -5.673 8.608 1.00 0.00 C ATOM 1023 C ASN A 63 -0.744 -4.444 7.687 1.00 0.00 C ATOM 1024 O ASN A 63 -0.800 -3.314 8.172 1.00 0.00 O ATOM 1025 CB ASN A 63 0.836 -6.245 8.559 1.00 0.00 C ATOM 1026 CG ASN A 63 1.889 -5.157 8.585 1.00 0.00 C ATOM 1027 OD1 ASN A 63 1.897 -4.258 9.410 1.00 0.00 O ATOM 1028 ND2 ASN A 63 2.814 -5.191 7.664 1.00 0.00 N ATOM 0 H ASN A 63 -1.091 -7.620 8.017 1.00 0.00 H new ATOM 0 HA ASN A 63 -0.803 -5.302 9.610 1.00 0.00 H new ATOM 0 HB2 ASN A 63 0.986 -6.915 9.406 1.00 0.00 H new ATOM 0 HB3 ASN A 63 0.955 -6.842 7.655 1.00 0.00 H new ATOM 0 HD21 ASN A 63 3.535 -4.470 7.638 1.00 0.00 H new ATOM 0 HD22 ASN A 63 2.816 -5.939 6.970 1.00 0.00 H new ATOM 1035 N MET A 64 -0.818 -4.622 6.360 1.00 0.00 N ATOM 1036 CA MET A 64 -1.018 -3.481 5.454 1.00 0.00 C ATOM 1037 C MET A 64 -2.352 -2.769 5.728 1.00 0.00 C ATOM 1038 O MET A 64 -2.419 -1.547 5.617 1.00 0.00 O ATOM 1039 CB MET A 64 -0.926 -3.916 3.988 1.00 0.00 C ATOM 1040 CG MET A 64 -0.939 -2.725 3.017 1.00 0.00 C ATOM 1041 SD MET A 64 -1.001 -3.161 1.256 1.00 0.00 S ATOM 1042 CE MET A 64 0.554 -4.083 1.109 1.00 0.00 C ATOM 0 H MET A 64 -0.744 -5.528 5.896 1.00 0.00 H new ATOM 0 HA MET A 64 -0.216 -2.769 5.648 1.00 0.00 H new ATOM 0 HB2 MET A 64 -0.012 -4.491 3.840 1.00 0.00 H new ATOM 0 HB3 MET A 64 -1.760 -4.578 3.756 1.00 0.00 H new ATOM 0 HG2 MET A 64 -1.799 -2.097 3.249 1.00 0.00 H new ATOM 0 HG3 MET A 64 -0.048 -2.123 3.194 1.00 0.00 H new ATOM 0 HE1 MET A 64 0.677 -4.428 0.082 1.00 0.00 H new ATOM 0 HE2 MET A 64 1.388 -3.434 1.377 1.00 0.00 H new ATOM 0 HE3 MET A 64 0.533 -4.942 1.780 1.00 0.00 H new ATOM 1052 N SER A 65 -3.394 -3.500 6.147 1.00 0.00 N ATOM 1053 CA SER A 65 -4.651 -2.888 6.601 1.00 0.00 C ATOM 1054 C SER A 65 -4.429 -1.879 7.726 1.00 0.00 C ATOM 1055 O SER A 65 -5.096 -0.846 7.732 1.00 0.00 O ATOM 1056 CB SER A 65 -5.675 -3.915 7.099 1.00 0.00 C ATOM 1057 OG SER A 65 -6.082 -4.802 6.080 1.00 0.00 O ATOM 0 H SER A 65 -3.391 -4.519 6.181 1.00 0.00 H new ATOM 0 HA SER A 65 -5.043 -2.387 5.716 1.00 0.00 H new ATOM 0 HB2 SER A 65 -5.244 -4.484 7.923 1.00 0.00 H new ATOM 0 HB3 SER A 65 -6.547 -3.394 7.494 1.00 0.00 H new ATOM 0 HG SER A 65 -5.398 -5.492 5.955 1.00 0.00 H new ATOM 1063 N GLU A 66 -3.506 -2.149 8.655 1.00 0.00 N ATOM 1064 CA GLU A 66 -3.278 -1.273 9.809 1.00 0.00 C ATOM 1065 C GLU A 66 -2.276 -0.129 9.545 1.00 0.00 C ATOM 1066 O GLU A 66 -2.365 0.937 10.157 1.00 0.00 O ATOM 1067 CB GLU A 66 -2.984 -2.101 11.072 1.00 0.00 C ATOM 1068 CG GLU A 66 -3.390 -1.391 12.383 1.00 0.00 C ATOM 1069 CD GLU A 66 -4.903 -1.091 12.565 1.00 0.00 C ATOM 1070 OE1 GLU A 66 -5.720 -1.290 11.630 1.00 0.00 O ATOM 1071 OE2 GLU A 66 -5.272 -0.516 13.613 1.00 0.00 O ATOM 0 H GLU A 66 -2.902 -2.971 8.630 1.00 0.00 H new ATOM 0 HA GLU A 66 -4.209 -0.737 9.995 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -3.512 -3.052 11.004 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -1.919 -2.330 11.107 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -3.060 -2.005 13.221 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -2.845 -0.449 12.445 1.00 0.00 H new ATOM 1078 N TYR A 67 -1.420 -0.257 8.524 1.00 0.00 N ATOM 1079 CA TYR A 67 -0.783 0.915 7.899 1.00 0.00 C ATOM 1080 C TYR A 67 -1.844 1.805 7.232 1.00 0.00 C ATOM 1081 O TYR A 67 -1.908 3.008 7.482 1.00 0.00 O ATOM 1082 CB TYR A 67 0.297 0.465 6.902 1.00 0.00 C ATOM 1083 CG TYR A 67 1.125 1.573 6.266 1.00 0.00 C ATOM 1084 CD1 TYR A 67 1.751 2.530 7.081 1.00 0.00 C ATOM 1085 CD2 TYR A 67 1.334 1.614 4.874 1.00 0.00 C ATOM 1086 CE1 TYR A 67 2.584 3.523 6.528 1.00 0.00 C ATOM 1087 CE2 TYR A 67 2.190 2.583 4.317 1.00 0.00 C ATOM 1088 CZ TYR A 67 2.830 3.536 5.139 1.00 0.00 C ATOM 1089 OH TYR A 67 3.711 4.426 4.601 1.00 0.00 O ATOM 0 H TYR A 67 -1.152 -1.152 8.114 1.00 0.00 H new ATOM 0 HA TYR A 67 -0.292 1.510 8.669 1.00 0.00 H new ATOM 0 HB2 TYR A 67 0.974 -0.218 7.415 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -0.186 -0.102 6.106 1.00 0.00 H new ATOM 0 HD1 TYR A 67 1.591 2.505 8.149 1.00 0.00 H new ATOM 0 HD2 TYR A 67 0.837 0.901 4.233 1.00 0.00 H new ATOM 0 HE1 TYR A 67 3.032 4.271 7.165 1.00 0.00 H new ATOM 0 HE2 TYR A 67 2.359 2.598 3.250 1.00 0.00 H new ATOM 0 HH TYR A 67 3.759 4.294 3.631 1.00 0.00 H new ATOM 1099 N LEU A 68 -2.762 1.206 6.464 1.00 0.00 N ATOM 1100 CA LEU A 68 -3.928 1.885 5.879 1.00 0.00 C ATOM 1101 C LEU A 68 -4.976 2.367 6.909 1.00 0.00 C ATOM 1102 O LEU A 68 -5.907 3.078 6.525 1.00 0.00 O ATOM 1103 CB LEU A 68 -4.562 0.977 4.807 1.00 0.00 C ATOM 1104 CG LEU A 68 -3.641 0.640 3.616 1.00 0.00 C ATOM 1105 CD1 LEU A 68 -4.333 -0.378 2.711 1.00 0.00 C ATOM 1106 CD2 LEU A 68 -3.283 1.874 2.789 1.00 0.00 C ATOM 0 H LEU A 68 -2.715 0.215 6.226 1.00 0.00 H new ATOM 0 HA LEU A 68 -3.560 2.803 5.421 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -4.877 0.046 5.279 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.461 1.461 4.427 1.00 0.00 H new ATOM 0 HG LEU A 68 -2.717 0.232 4.026 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.683 -0.617 1.869 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -4.542 -1.286 3.277 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -5.268 0.041 2.340 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.634 1.583 1.963 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.194 2.323 2.393 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -2.766 2.597 3.420 1.00 0.00 H new ATOM 1118 N THR A 69 -4.845 2.019 8.195 1.00 0.00 N ATOM 1119 CA THR A 69 -5.614 2.590 9.317 1.00 0.00 C ATOM 1120 C THR A 69 -5.196 4.027 9.619 1.00 0.00 C ATOM 1121 O THR A 69 -6.065 4.872 9.833 1.00 0.00 O ATOM 1122 CB THR A 69 -5.516 1.700 10.576 1.00 0.00 C ATOM 1123 OG1 THR A 69 -6.688 0.922 10.698 1.00 0.00 O ATOM 1124 CG2 THR A 69 -5.260 2.415 11.913 1.00 0.00 C ATOM 0 H THR A 69 -4.179 1.308 8.498 1.00 0.00 H new ATOM 0 HA THR A 69 -6.660 2.617 9.010 1.00 0.00 H new ATOM 0 HB THR A 69 -4.624 1.098 10.403 1.00 0.00 H new ATOM 0 HG1 THR A 69 -6.446 -0.025 10.766 1.00 0.00 H new ATOM 0 HG21 THR A 69 -5.213 1.679 12.716 1.00 0.00 H new ATOM 0 HG22 THR A 69 -4.315 2.956 11.861 1.00 0.00 H new ATOM 0 HG23 THR A 69 -6.070 3.117 12.111 1.00 0.00 H new ATOM 1132 N ASN A 70 -3.886 4.282 9.730 1.00 0.00 N ATOM 1133 CA ASN A 70 -3.285 5.575 10.085 1.00 0.00 C ATOM 1134 C ASN A 70 -1.763 5.534 9.806 1.00 0.00 C ATOM 1135 O ASN A 70 -0.967 5.287 10.723 1.00 0.00 O ATOM 1136 CB ASN A 70 -3.584 5.924 11.563 1.00 0.00 C ATOM 1137 CG ASN A 70 -3.208 7.361 11.902 1.00 0.00 C ATOM 1138 OD1 ASN A 70 -2.140 7.866 11.598 1.00 0.00 O ATOM 1139 ND2 ASN A 70 -4.082 8.090 12.557 1.00 0.00 N ATOM 0 H ASN A 70 -3.184 3.560 9.567 1.00 0.00 H new ATOM 0 HA ASN A 70 -3.725 6.360 9.470 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -4.644 5.771 11.763 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -3.035 5.243 12.214 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -3.861 9.056 12.800 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -4.982 7.691 12.823 1.00 0.00 H new ATOM 1146 N PRO A 71 -1.316 5.793 8.565 1.00 0.00 N ATOM 1147 CA PRO A 71 0.077 5.562 8.191 1.00 0.00 C ATOM 1148 C PRO A 71 1.041 6.490 8.936 1.00 0.00 C ATOM 1149 O PRO A 71 2.185 6.123 9.180 1.00 0.00 O ATOM 1150 CB PRO A 71 0.130 5.753 6.671 1.00 0.00 C ATOM 1151 CG PRO A 71 -1.054 6.674 6.384 1.00 0.00 C ATOM 1152 CD PRO A 71 -2.086 6.271 7.432 1.00 0.00 C ATOM 0 HA PRO A 71 0.403 4.561 8.472 1.00 0.00 H new ATOM 0 HB2 PRO A 71 1.072 6.201 6.356 1.00 0.00 H new ATOM 0 HB3 PRO A 71 0.036 4.803 6.144 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -0.777 7.724 6.478 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -1.435 6.534 5.372 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -2.713 7.117 7.712 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -2.750 5.494 7.052 1.00 0.00 H new ATOM 1160 N LYS A 72 0.566 7.672 9.355 1.00 0.00 N ATOM 1161 CA LYS A 72 1.328 8.674 10.115 1.00 0.00 C ATOM 1162 C LYS A 72 1.603 8.287 11.566 1.00 0.00 C ATOM 1163 O LYS A 72 2.659 8.636 12.078 1.00 0.00 O ATOM 1164 CB LYS A 72 0.608 10.024 10.044 1.00 0.00 C ATOM 1165 CG LYS A 72 0.719 10.632 8.638 1.00 0.00 C ATOM 1166 CD LYS A 72 -0.301 11.759 8.467 1.00 0.00 C ATOM 1167 CE LYS A 72 -0.145 12.371 7.075 1.00 0.00 C ATOM 1168 NZ LYS A 72 -1.427 12.951 6.622 1.00 0.00 N ATOM 0 H LYS A 72 -0.392 7.967 9.168 1.00 0.00 H new ATOM 0 HA LYS A 72 2.309 8.739 9.645 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -0.442 9.895 10.307 1.00 0.00 H new ATOM 0 HB3 LYS A 72 1.038 10.709 10.775 1.00 0.00 H new ATOM 0 HG2 LYS A 72 1.726 11.016 8.479 1.00 0.00 H new ATOM 0 HG3 LYS A 72 0.549 9.861 7.886 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -1.312 11.373 8.597 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -0.150 12.521 9.231 1.00 0.00 H new ATOM 0 HE2 LYS A 72 0.624 13.143 7.094 1.00 0.00 H new ATOM 0 HE3 LYS A 72 0.186 11.608 6.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -1.315 13.333 5.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -2.160 12.213 6.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -1.710 13.716 7.268 1.00 0.00 H new ATOM 1182 N LYS A 73 0.693 7.574 12.241 1.00 0.00 N ATOM 1183 CA LYS A 73 0.995 6.950 13.544 1.00 0.00 C ATOM 1184 C LYS A 73 1.808 5.671 13.390 1.00 0.00 C ATOM 1185 O LYS A 73 2.679 5.419 14.216 1.00 0.00 O ATOM 1186 CB LYS A 73 -0.271 6.700 14.380 1.00 0.00 C ATOM 1187 CG LYS A 73 -0.669 7.967 15.154 1.00 0.00 C ATOM 1188 CD LYS A 73 -1.549 7.643 16.369 1.00 0.00 C ATOM 1189 CE LYS A 73 -1.687 8.891 17.248 1.00 0.00 C ATOM 1190 NZ LYS A 73 -2.356 8.585 18.539 1.00 0.00 N ATOM 0 H LYS A 73 -0.258 7.412 11.911 1.00 0.00 H new ATOM 0 HA LYS A 73 1.607 7.668 14.089 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -1.089 6.394 13.728 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -0.096 5.881 15.078 1.00 0.00 H new ATOM 0 HG2 LYS A 73 0.230 8.487 15.485 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -1.204 8.646 14.489 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -2.532 7.307 16.040 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -1.109 6.828 16.943 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -0.700 9.311 17.441 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -2.258 9.651 16.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -2.431 9.454 19.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -3.308 8.208 18.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -1.798 7.879 19.060 1.00 0.00 H new ATOM 1204 N TYR A 74 1.570 4.878 12.344 1.00 0.00 N ATOM 1205 CA TYR A 74 2.371 3.681 12.083 1.00 0.00 C ATOM 1206 C TYR A 74 3.845 4.032 11.798 1.00 0.00 C ATOM 1207 O TYR A 74 4.756 3.366 12.297 1.00 0.00 O ATOM 1208 CB TYR A 74 1.742 2.897 10.923 1.00 0.00 C ATOM 1209 CG TYR A 74 1.985 1.399 10.993 1.00 0.00 C ATOM 1210 CD1 TYR A 74 3.257 0.863 10.707 1.00 0.00 C ATOM 1211 CD2 TYR A 74 0.934 0.541 11.381 1.00 0.00 C ATOM 1212 CE1 TYR A 74 3.485 -0.521 10.844 1.00 0.00 C ATOM 1213 CE2 TYR A 74 1.163 -0.842 11.517 1.00 0.00 C ATOM 1214 CZ TYR A 74 2.444 -1.372 11.265 1.00 0.00 C ATOM 1215 OH TYR A 74 2.695 -2.689 11.454 1.00 0.00 O ATOM 0 H TYR A 74 0.828 5.043 11.663 1.00 0.00 H new ATOM 0 HA TYR A 74 2.372 3.055 12.975 1.00 0.00 H new ATOM 0 HB2 TYR A 74 0.668 3.081 10.912 1.00 0.00 H new ATOM 0 HB3 TYR A 74 2.140 3.277 9.982 1.00 0.00 H new ATOM 0 HD1 TYR A 74 4.057 1.513 10.383 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -0.048 0.946 11.574 1.00 0.00 H new ATOM 0 HE1 TYR A 74 4.460 -0.930 10.626 1.00 0.00 H new ATOM 0 HE2 TYR A 74 0.357 -1.496 11.814 1.00 0.00 H new ATOM 0 HH TYR A 74 2.380 -3.197 10.677 1.00 0.00 H new ATOM 1225 N ILE A 75 4.077 5.084 11.008 1.00 0.00 N ATOM 1226 CA ILE A 75 5.381 5.560 10.545 1.00 0.00 C ATOM 1227 C ILE A 75 5.427 7.098 10.709 1.00 0.00 C ATOM 1228 O ILE A 75 5.174 7.833 9.751 1.00 0.00 O ATOM 1229 CB ILE A 75 5.654 5.065 9.099 1.00 0.00 C ATOM 1230 CG1 ILE A 75 5.423 3.542 8.950 1.00 0.00 C ATOM 1231 CG2 ILE A 75 7.097 5.425 8.713 1.00 0.00 C ATOM 1232 CD1 ILE A 75 5.777 2.935 7.588 1.00 0.00 C ATOM 0 H ILE A 75 3.313 5.660 10.654 1.00 0.00 H new ATOM 0 HA ILE A 75 6.191 5.147 11.146 1.00 0.00 H new ATOM 0 HB ILE A 75 4.950 5.559 8.430 1.00 0.00 H new ATOM 0 HG12 ILE A 75 6.006 3.030 9.715 1.00 0.00 H new ATOM 0 HG13 ILE A 75 4.373 3.333 9.156 1.00 0.00 H new ATOM 0 HG21 ILE A 75 7.299 5.081 7.698 1.00 0.00 H new ATOM 0 HG22 ILE A 75 7.228 6.506 8.763 1.00 0.00 H new ATOM 0 HG23 ILE A 75 7.789 4.943 9.404 1.00 0.00 H new ATOM 0 HD11 ILE A 75 5.574 1.864 7.603 1.00 0.00 H new ATOM 0 HD12 ILE A 75 5.176 3.408 6.812 1.00 0.00 H new ATOM 0 HD13 ILE A 75 6.834 3.101 7.379 1.00 0.00 H new ATOM 1244 N PRO A 76 5.719 7.611 11.922 1.00 0.00 N ATOM 1245 CA PRO A 76 5.825 9.046 12.181 1.00 0.00 C ATOM 1246 C PRO A 76 7.022 9.636 11.428 1.00 0.00 C ATOM 1247 O PRO A 76 8.171 9.310 11.715 1.00 0.00 O ATOM 1248 CB PRO A 76 5.920 9.195 13.702 1.00 0.00 C ATOM 1249 CG PRO A 76 6.522 7.866 14.155 1.00 0.00 C ATOM 1250 CD PRO A 76 5.956 6.863 13.151 1.00 0.00 C ATOM 0 HA PRO A 76 4.962 9.605 11.818 1.00 0.00 H new ATOM 0 HB2 PRO A 76 6.551 10.038 13.984 1.00 0.00 H new ATOM 0 HB3 PRO A 76 4.941 9.366 14.150 1.00 0.00 H new ATOM 0 HG2 PRO A 76 7.611 7.889 14.130 1.00 0.00 H new ATOM 0 HG3 PRO A 76 6.231 7.620 15.176 1.00 0.00 H new ATOM 0 HD2 PRO A 76 6.656 6.045 12.981 1.00 0.00 H new ATOM 0 HD3 PRO A 76 5.032 6.420 13.522 1.00 0.00 H new ATOM 1258 N GLY A 77 6.735 10.446 10.404 1.00 0.00 N ATOM 1259 CA GLY A 77 7.713 10.975 9.442 1.00 0.00 C ATOM 1260 C GLY A 77 7.594 10.395 8.025 1.00 0.00 C ATOM 1261 O GLY A 77 8.329 10.817 7.135 1.00 0.00 O ATOM 0 H GLY A 77 5.784 10.763 10.214 1.00 0.00 H new ATOM 0 HA2 GLY A 77 7.601 12.058 9.388 1.00 0.00 H new ATOM 0 HA3 GLY A 77 8.717 10.777 9.818 1.00 0.00 H new ATOM 1265 N THR A 78 6.668 9.455 7.792 1.00 0.00 N ATOM 1266 CA THR A 78 6.399 8.898 6.456 1.00 0.00 C ATOM 1267 C THR A 78 6.044 9.970 5.425 1.00 0.00 C ATOM 1268 O THR A 78 5.233 10.866 5.671 1.00 0.00 O ATOM 1269 CB THR A 78 5.296 7.824 6.483 1.00 0.00 C ATOM 1270 OG1 THR A 78 5.182 7.221 5.213 1.00 0.00 O ATOM 1271 CG2 THR A 78 3.892 8.307 6.855 1.00 0.00 C ATOM 0 H THR A 78 6.082 9.057 8.526 1.00 0.00 H new ATOM 0 HA THR A 78 7.335 8.431 6.149 1.00 0.00 H new ATOM 0 HB THR A 78 5.624 7.143 7.268 1.00 0.00 H new ATOM 0 HG1 THR A 78 4.706 6.369 5.297 1.00 0.00 H new ATOM 0 HG21 THR A 78 3.201 7.464 6.841 1.00 0.00 H new ATOM 0 HG22 THR A 78 3.910 8.744 7.853 1.00 0.00 H new ATOM 0 HG23 THR A 78 3.563 9.058 6.136 1.00 0.00 H new ATOM 1279 N LYS A 79 6.585 9.813 4.217 1.00 0.00 N ATOM 1280 CA LYS A 79 6.193 10.571 3.026 1.00 0.00 C ATOM 1281 C LYS A 79 4.822 10.134 2.475 1.00 0.00 C ATOM 1282 O LYS A 79 4.283 10.813 1.602 1.00 0.00 O ATOM 1283 CB LYS A 79 7.380 10.489 2.054 1.00 0.00 C ATOM 1284 CG LYS A 79 7.320 11.268 0.729 1.00 0.00 C ATOM 1285 CD LYS A 79 8.732 11.309 0.104 1.00 0.00 C ATOM 1286 CE LYS A 79 8.792 11.102 -1.417 1.00 0.00 C ATOM 1287 NZ LYS A 79 8.503 9.699 -1.794 1.00 0.00 N ATOM 0 H LYS A 79 7.327 9.138 4.034 1.00 0.00 H new ATOM 0 HA LYS A 79 6.008 11.623 3.244 1.00 0.00 H new ATOM 0 HB2 LYS A 79 8.268 10.823 2.591 1.00 0.00 H new ATOM 0 HB3 LYS A 79 7.532 9.438 1.810 1.00 0.00 H new ATOM 0 HG2 LYS A 79 6.619 10.791 0.044 1.00 0.00 H new ATOM 0 HG3 LYS A 79 6.956 12.281 0.904 1.00 0.00 H new ATOM 0 HD2 LYS A 79 9.186 12.271 0.340 1.00 0.00 H new ATOM 0 HD3 LYS A 79 9.343 10.543 0.581 1.00 0.00 H new ATOM 0 HE2 LYS A 79 8.075 11.764 -1.902 1.00 0.00 H new ATOM 0 HE3 LYS A 79 9.780 11.380 -1.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 9.079 9.435 -2.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 8.732 9.071 -0.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 7.495 9.604 -2.031 1.00 0.00 H new ATOM 1301 N MET A 80 4.187 9.082 3.019 1.00 0.00 N ATOM 1302 CA MET A 80 2.767 8.780 2.816 1.00 0.00 C ATOM 1303 C MET A 80 1.867 9.800 3.546 1.00 0.00 C ATOM 1304 O MET A 80 1.295 9.536 4.606 1.00 0.00 O ATOM 1305 CB MET A 80 2.475 7.315 3.199 1.00 0.00 C ATOM 1306 CG MET A 80 1.028 6.935 2.867 1.00 0.00 C ATOM 1307 SD MET A 80 0.715 5.226 2.303 1.00 0.00 S ATOM 1308 CE MET A 80 -1.075 5.137 2.520 1.00 0.00 C ATOM 0 H MET A 80 4.658 8.408 3.622 1.00 0.00 H new ATOM 0 HA MET A 80 2.525 8.882 1.758 1.00 0.00 H new ATOM 0 HB2 MET A 80 3.159 6.654 2.667 1.00 0.00 H new ATOM 0 HB3 MET A 80 2.657 7.171 4.264 1.00 0.00 H new ATOM 0 HG2 MET A 80 0.421 7.113 3.755 1.00 0.00 H new ATOM 0 HG3 MET A 80 0.670 7.615 2.094 1.00 0.00 H new ATOM 0 HE1 MET A 80 -1.422 4.135 2.270 1.00 0.00 H new ATOM 0 HE2 MET A 80 -1.327 5.360 3.557 1.00 0.00 H new ATOM 0 HE3 MET A 80 -1.557 5.862 1.865 1.00 0.00 H new ATOM 1318 N ALA A 81 1.678 10.967 2.921 1.00 0.00 N ATOM 1319 CA ALA A 81 0.862 12.091 3.404 1.00 0.00 C ATOM 1320 C ALA A 81 -0.653 11.808 3.572 1.00 0.00 C ATOM 1321 O ALA A 81 -1.426 12.699 3.921 1.00 0.00 O ATOM 1322 CB ALA A 81 1.124 13.290 2.485 1.00 0.00 C ATOM 0 H ALA A 81 2.111 11.165 2.019 1.00 0.00 H new ATOM 0 HA ALA A 81 1.176 12.297 4.427 1.00 0.00 H new ATOM 0 HB1 ALA A 81 0.531 14.141 2.819 1.00 0.00 H new ATOM 0 HB2 ALA A 81 2.182 13.550 2.518 1.00 0.00 H new ATOM 0 HB3 ALA A 81 0.846 13.033 1.463 1.00 0.00 H new ATOM 1328 N PHE A 82 -1.060 10.559 3.380 1.00 0.00 N ATOM 1329 CA PHE A 82 -2.407 9.986 3.427 1.00 0.00 C ATOM 1330 C PHE A 82 -3.107 10.090 4.805 1.00 0.00 C ATOM 1331 O PHE A 82 -2.549 10.594 5.784 1.00 0.00 O ATOM 1332 CB PHE A 82 -2.246 8.530 2.961 1.00 0.00 C ATOM 1333 CG PHE A 82 -3.514 7.801 2.571 1.00 0.00 C ATOM 1334 CD1 PHE A 82 -4.169 8.159 1.380 1.00 0.00 C ATOM 1335 CD2 PHE A 82 -3.999 6.729 3.347 1.00 0.00 C ATOM 1336 CE1 PHE A 82 -5.290 7.432 0.949 1.00 0.00 C ATOM 1337 CE2 PHE A 82 -5.124 6.006 2.919 1.00 0.00 C ATOM 1338 CZ PHE A 82 -5.764 6.356 1.717 1.00 0.00 C ATOM 0 H PHE A 82 -0.375 9.835 3.162 1.00 0.00 H new ATOM 0 HA PHE A 82 -3.075 10.556 2.781 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -1.569 8.518 2.107 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -1.761 7.968 3.759 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -3.810 8.994 0.796 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -3.506 6.464 4.270 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -5.787 7.700 0.028 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -5.497 5.183 3.511 1.00 0.00 H new ATOM 0 HZ PHE A 82 -6.624 5.795 1.383 1.00 0.00 H new ATOM 1348 N GLY A 83 -4.361 9.625 4.882 1.00 0.00 N ATOM 1349 CA GLY A 83 -5.209 9.696 6.083 1.00 0.00 C ATOM 1350 C GLY A 83 -5.432 8.335 6.748 1.00 0.00 C ATOM 1351 O GLY A 83 -4.920 8.088 7.838 1.00 0.00 O ATOM 0 H GLY A 83 -4.827 9.178 4.092 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -4.751 10.374 6.803 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -6.175 10.123 5.813 1.00 0.00 H new ATOM 1355 N GLY A 84 -6.188 7.461 6.082 1.00 0.00 N ATOM 1356 CA GLY A 84 -6.564 6.143 6.593 1.00 0.00 C ATOM 1357 C GLY A 84 -7.999 5.760 6.223 1.00 0.00 C ATOM 1358 O GLY A 84 -8.954 6.426 6.615 1.00 0.00 O ATOM 0 H GLY A 84 -6.563 7.654 5.153 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -5.878 5.394 6.198 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -6.457 6.133 7.678 1.00 0.00 H new ATOM 1362 N LEU A 85 -8.182 4.688 5.448 1.00 0.00 N ATOM 1363 CA LEU A 85 -9.498 4.236 4.989 1.00 0.00 C ATOM 1364 C LEU A 85 -10.160 3.357 6.055 1.00 0.00 C ATOM 1365 O LEU A 85 -10.246 2.135 5.926 1.00 0.00 O ATOM 1366 CB LEU A 85 -9.370 3.523 3.629 1.00 0.00 C ATOM 1367 CG LEU A 85 -9.037 4.472 2.465 1.00 0.00 C ATOM 1368 CD1 LEU A 85 -8.730 3.643 1.220 1.00 0.00 C ATOM 1369 CD2 LEU A 85 -10.186 5.429 2.122 1.00 0.00 C ATOM 0 H LEU A 85 -7.414 4.104 5.118 1.00 0.00 H new ATOM 0 HA LEU A 85 -10.148 5.098 4.839 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -8.594 2.761 3.699 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -10.304 3.006 3.410 1.00 0.00 H new ATOM 0 HG LEU A 85 -8.183 5.071 2.780 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -8.493 4.308 0.390 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -7.879 2.991 1.418 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -9.599 3.037 0.963 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -9.889 6.072 1.293 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -11.066 4.853 1.837 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -10.420 6.043 2.992 1.00 0.00 H new ATOM 1381 N LYS A 86 -10.669 3.996 7.116 1.00 0.00 N ATOM 1382 CA LYS A 86 -11.478 3.385 8.190 1.00 0.00 C ATOM 1383 C LYS A 86 -12.900 3.004 7.724 1.00 0.00 C ATOM 1384 O LYS A 86 -13.898 3.401 8.315 1.00 0.00 O ATOM 1385 CB LYS A 86 -11.489 4.313 9.423 1.00 0.00 C ATOM 1386 CG LYS A 86 -10.152 4.380 10.185 1.00 0.00 C ATOM 1387 CD LYS A 86 -9.789 3.051 10.874 1.00 0.00 C ATOM 1388 CE LYS A 86 -8.728 3.282 11.958 1.00 0.00 C ATOM 1389 NZ LYS A 86 -8.332 2.015 12.632 1.00 0.00 N ATOM 0 H LYS A 86 -10.525 4.995 7.260 1.00 0.00 H new ATOM 0 HA LYS A 86 -11.011 2.441 8.472 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -11.761 5.319 9.102 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -12.267 3.976 10.108 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -9.357 4.653 9.491 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -10.206 5.170 10.935 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -10.681 2.609 11.318 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -9.415 2.342 10.136 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -7.848 3.745 11.511 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -9.114 3.981 12.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -7.732 2.232 13.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -9.184 1.509 12.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -7.803 1.418 11.965 1.00 0.00 H new ATOM 1403 N LYS A 87 -12.974 2.223 6.643 1.00 0.00 N ATOM 1404 CA LYS A 87 -14.136 1.458 6.195 1.00 0.00 C ATOM 1405 C LYS A 87 -13.692 0.039 5.858 1.00 0.00 C ATOM 1406 O LYS A 87 -13.072 -0.215 4.828 1.00 0.00 O ATOM 1407 CB LYS A 87 -14.817 2.139 5.003 1.00 0.00 C ATOM 1408 CG LYS A 87 -15.613 3.384 5.412 1.00 0.00 C ATOM 1409 CD LYS A 87 -16.501 3.849 4.254 1.00 0.00 C ATOM 1410 CE LYS A 87 -17.315 5.075 4.681 1.00 0.00 C ATOM 1411 NZ LYS A 87 -18.277 5.474 3.624 1.00 0.00 N ATOM 0 H LYS A 87 -12.175 2.102 6.021 1.00 0.00 H new ATOM 0 HA LYS A 87 -14.876 1.415 6.994 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -14.061 2.420 4.269 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -15.485 1.429 4.516 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -16.228 3.161 6.284 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -14.930 4.183 5.699 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -15.886 4.094 3.388 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -17.171 3.044 3.952 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -17.854 4.854 5.602 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -16.642 5.905 4.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -18.814 6.306 3.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -17.759 5.707 2.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -18.933 4.689 3.437 1.00 0.00 H new ATOM 1425 N GLU A 88 -14.011 -0.891 6.744 1.00 0.00 N ATOM 1426 CA GLU A 88 -13.577 -2.290 6.710 1.00 0.00 C ATOM 1427 C GLU A 88 -14.034 -2.969 5.410 1.00 0.00 C ATOM 1428 O GLU A 88 -13.261 -3.673 4.769 1.00 0.00 O ATOM 1429 CB GLU A 88 -14.133 -3.019 7.953 1.00 0.00 C ATOM 1430 CG GLU A 88 -13.492 -2.617 9.301 1.00 0.00 C ATOM 1431 CD GLU A 88 -13.471 -1.099 9.543 1.00 0.00 C ATOM 1432 OE1 GLU A 88 -14.553 -0.481 9.427 1.00 0.00 O ATOM 1433 OE2 GLU A 88 -12.347 -0.536 9.592 1.00 0.00 O ATOM 0 H GLU A 88 -14.607 -0.688 7.546 1.00 0.00 H new ATOM 0 HA GLU A 88 -12.488 -2.337 6.731 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -15.206 -2.835 8.011 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -14.001 -4.092 7.813 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -14.039 -3.098 10.112 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -12.471 -2.996 9.336 1.00 0.00 H new ATOM 1440 N LYS A 89 -15.266 -2.697 4.961 1.00 0.00 N ATOM 1441 CA LYS A 89 -15.843 -3.140 3.681 1.00 0.00 C ATOM 1442 C LYS A 89 -15.001 -2.701 2.472 1.00 0.00 C ATOM 1443 O LYS A 89 -14.620 -3.528 1.652 1.00 0.00 O ATOM 1444 CB LYS A 89 -17.269 -2.583 3.572 1.00 0.00 C ATOM 1445 CG LYS A 89 -18.191 -2.816 4.780 1.00 0.00 C ATOM 1446 CD LYS A 89 -18.591 -4.285 4.989 1.00 0.00 C ATOM 1447 CE LYS A 89 -19.520 -4.393 6.207 1.00 0.00 C ATOM 1448 NZ LYS A 89 -20.001 -5.782 6.422 1.00 0.00 N ATOM 0 H LYS A 89 -15.921 -2.135 5.505 1.00 0.00 H new ATOM 0 HA LYS A 89 -15.855 -4.230 3.667 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -17.203 -1.509 3.395 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -17.741 -3.023 2.693 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -17.692 -2.455 5.679 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -19.094 -2.219 4.655 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -19.093 -4.667 4.100 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -17.702 -4.897 5.141 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -18.991 -4.051 7.097 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -20.375 -3.731 6.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -20.625 -5.809 7.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -20.528 -6.101 5.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -19.188 -6.411 6.579 1.00 0.00 H new ATOM 1462 N ASP A 90 -14.730 -1.395 2.411 1.00 0.00 N ATOM 1463 CA ASP A 90 -13.893 -0.712 1.409 1.00 0.00 C ATOM 1464 C ASP A 90 -12.505 -1.388 1.347 1.00 0.00 C ATOM 1465 O ASP A 90 -12.100 -1.883 0.295 1.00 0.00 O ATOM 1466 CB ASP A 90 -13.826 0.802 1.749 1.00 0.00 C ATOM 1467 CG ASP A 90 -13.891 1.781 0.560 1.00 0.00 C ATOM 1468 OD1 ASP A 90 -14.975 1.911 -0.047 1.00 0.00 O ATOM 1469 OD2 ASP A 90 -12.941 2.567 0.332 1.00 0.00 O ATOM 0 H ASP A 90 -15.109 -0.743 3.098 1.00 0.00 H new ATOM 0 HA ASP A 90 -14.326 -0.798 0.412 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -14.647 1.035 2.427 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -12.900 0.988 2.293 1.00 0.00 H new ATOM 1474 N ARG A 91 -11.815 -1.507 2.497 1.00 0.00 N ATOM 1475 CA ARG A 91 -10.503 -2.176 2.605 1.00 0.00 C ATOM 1476 C ARG A 91 -10.505 -3.638 2.157 1.00 0.00 C ATOM 1477 O ARG A 91 -9.556 -4.032 1.486 1.00 0.00 O ATOM 1478 CB ARG A 91 -9.912 -2.085 4.026 1.00 0.00 C ATOM 1479 CG ARG A 91 -9.516 -0.658 4.430 1.00 0.00 C ATOM 1480 CD ARG A 91 -8.479 -0.607 5.573 1.00 0.00 C ATOM 1481 NE ARG A 91 -8.860 -1.357 6.794 1.00 0.00 N ATOM 1482 CZ ARG A 91 -9.832 -1.083 7.651 1.00 0.00 C ATOM 1483 NH1 ARG A 91 -10.673 -0.114 7.478 1.00 0.00 N ATOM 1484 NH2 ARG A 91 -10.008 -1.756 8.749 1.00 0.00 N ATOM 0 H ARG A 91 -12.155 -1.139 3.385 1.00 0.00 H new ATOM 0 HA ARG A 91 -9.871 -1.622 1.911 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -10.641 -2.468 4.740 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -9.035 -2.729 4.089 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -9.111 -0.142 3.560 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -10.410 -0.114 4.736 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -7.532 -1.000 5.203 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -8.308 0.435 5.843 1.00 0.00 H new ATOM 0 HE ARG A 91 -8.304 -2.187 7.000 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -10.604 0.480 6.651 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -11.404 0.056 8.168 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -9.384 -2.530 8.979 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -10.770 -1.511 9.381 1.00 0.00 H new ATOM 1498 N ASN A 92 -11.510 -4.443 2.513 1.00 0.00 N ATOM 1499 CA ASN A 92 -11.515 -5.876 2.157 1.00 0.00 C ATOM 1500 C ASN A 92 -11.463 -6.100 0.627 1.00 0.00 C ATOM 1501 O ASN A 92 -10.634 -6.884 0.161 1.00 0.00 O ATOM 1502 CB ASN A 92 -12.687 -6.622 2.829 1.00 0.00 C ATOM 1503 CG ASN A 92 -12.375 -7.094 4.249 1.00 0.00 C ATOM 1504 OD1 ASN A 92 -11.831 -8.159 4.487 1.00 0.00 O ATOM 1505 ND2 ASN A 92 -12.727 -6.332 5.255 1.00 0.00 N ATOM 0 H ASN A 92 -12.326 -4.137 3.043 1.00 0.00 H new ATOM 0 HA ASN A 92 -10.598 -6.311 2.554 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -13.557 -5.966 2.856 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -12.956 -7.484 2.219 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -12.544 -6.634 6.212 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -13.184 -5.437 5.081 1.00 0.00 H new ATOM 1512 N ASP A 93 -12.271 -5.393 -0.170 1.00 0.00 N ATOM 1513 CA ASP A 93 -12.171 -5.432 -1.639 1.00 0.00 C ATOM 1514 C ASP A 93 -10.902 -4.742 -2.176 1.00 0.00 C ATOM 1515 O ASP A 93 -10.260 -5.282 -3.077 1.00 0.00 O ATOM 1516 CB ASP A 93 -13.414 -4.802 -2.286 1.00 0.00 C ATOM 1517 CG ASP A 93 -14.526 -5.794 -2.664 1.00 0.00 C ATOM 1518 OD1 ASP A 93 -14.386 -7.033 -2.488 1.00 0.00 O ATOM 1519 OD2 ASP A 93 -15.541 -5.279 -3.200 1.00 0.00 O ATOM 0 H ASP A 93 -13.009 -4.781 0.178 1.00 0.00 H new ATOM 0 HA ASP A 93 -12.107 -6.486 -1.910 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -13.826 -4.062 -1.600 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -13.105 -4.267 -3.184 1.00 0.00 H new ATOM 1524 N LEU A 94 -10.523 -3.570 -1.641 1.00 0.00 N ATOM 1525 CA LEU A 94 -9.320 -2.811 -2.042 1.00 0.00 C ATOM 1526 C LEU A 94 -8.081 -3.709 -1.970 1.00 0.00 C ATOM 1527 O LEU A 94 -7.377 -3.895 -2.960 1.00 0.00 O ATOM 1528 CB LEU A 94 -9.170 -1.558 -1.141 1.00 0.00 C ATOM 1529 CG LEU A 94 -8.203 -0.423 -1.556 1.00 0.00 C ATOM 1530 CD1 LEU A 94 -6.800 -0.832 -2.009 1.00 0.00 C ATOM 1531 CD2 LEU A 94 -8.829 0.442 -2.642 1.00 0.00 C ATOM 0 H LEU A 94 -11.054 -3.111 -0.901 1.00 0.00 H new ATOM 0 HA LEU A 94 -9.425 -2.476 -3.074 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -10.161 -1.117 -1.030 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -8.862 -1.902 -0.154 1.00 0.00 H new ATOM 0 HG LEU A 94 -8.053 0.121 -0.624 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -6.228 0.058 -2.270 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -6.297 -1.362 -1.200 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -6.874 -1.484 -2.879 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -8.135 1.235 -2.921 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -9.048 -0.172 -3.515 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -9.753 0.884 -2.268 1.00 0.00 H new ATOM 1543 N ILE A 95 -7.836 -4.283 -0.793 1.00 0.00 N ATOM 1544 CA ILE A 95 -6.717 -5.177 -0.526 1.00 0.00 C ATOM 1545 C ILE A 95 -6.872 -6.477 -1.314 1.00 0.00 C ATOM 1546 O ILE A 95 -5.893 -6.886 -1.924 1.00 0.00 O ATOM 1547 CB ILE A 95 -6.545 -5.385 0.993 1.00 0.00 C ATOM 1548 CG1 ILE A 95 -6.171 -4.026 1.637 1.00 0.00 C ATOM 1549 CG2 ILE A 95 -5.470 -6.445 1.298 1.00 0.00 C ATOM 1550 CD1 ILE A 95 -6.144 -4.056 3.163 1.00 0.00 C ATOM 0 H ILE A 95 -8.429 -4.133 0.023 1.00 0.00 H new ATOM 0 HA ILE A 95 -5.790 -4.722 -0.875 1.00 0.00 H new ATOM 0 HB ILE A 95 -7.482 -5.751 1.413 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -5.191 -3.718 1.271 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -6.885 -3.270 1.310 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -5.375 -6.566 2.377 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -5.759 -7.396 0.850 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -4.514 -6.124 0.883 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -5.875 -3.070 3.542 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -7.129 -4.332 3.539 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -5.409 -4.787 3.500 1.00 0.00 H new ATOM 1562 N THR A 96 -8.056 -7.106 -1.384 1.00 0.00 N ATOM 1563 CA THR A 96 -8.184 -8.332 -2.205 1.00 0.00 C ATOM 1564 C THR A 96 -7.829 -8.075 -3.673 1.00 0.00 C ATOM 1565 O THR A 96 -7.133 -8.883 -4.287 1.00 0.00 O ATOM 1566 CB THR A 96 -9.566 -8.999 -2.128 1.00 0.00 C ATOM 1567 OG1 THR A 96 -9.937 -9.229 -0.794 1.00 0.00 O ATOM 1568 CG2 THR A 96 -9.551 -10.381 -2.786 1.00 0.00 C ATOM 0 H THR A 96 -8.907 -6.808 -0.907 1.00 0.00 H new ATOM 0 HA THR A 96 -7.466 -9.026 -1.768 1.00 0.00 H new ATOM 0 HB THR A 96 -10.256 -8.322 -2.631 1.00 0.00 H new ATOM 0 HG1 THR A 96 -9.976 -8.376 -0.314 1.00 0.00 H new ATOM 0 HG21 THR A 96 -10.543 -10.828 -2.716 1.00 0.00 H new ATOM 0 HG22 THR A 96 -9.271 -10.282 -3.835 1.00 0.00 H new ATOM 0 HG23 THR A 96 -8.829 -11.019 -2.277 1.00 0.00 H new ATOM 1576 N TYR A 97 -8.233 -6.935 -4.238 1.00 0.00 N ATOM 1577 CA TYR A 97 -7.749 -6.484 -5.545 1.00 0.00 C ATOM 1578 C TYR A 97 -6.228 -6.317 -5.559 1.00 0.00 C ATOM 1579 O TYR A 97 -5.571 -6.933 -6.394 1.00 0.00 O ATOM 1580 CB TYR A 97 -8.433 -5.178 -5.969 1.00 0.00 C ATOM 1581 CG TYR A 97 -7.661 -4.405 -7.025 1.00 0.00 C ATOM 1582 CD1 TYR A 97 -7.623 -4.857 -8.358 1.00 0.00 C ATOM 1583 CD2 TYR A 97 -6.886 -3.295 -6.640 1.00 0.00 C ATOM 1584 CE1 TYR A 97 -6.839 -4.178 -9.313 1.00 0.00 C ATOM 1585 CE2 TYR A 97 -6.084 -2.631 -7.586 1.00 0.00 C ATOM 1586 CZ TYR A 97 -6.075 -3.053 -8.927 1.00 0.00 C ATOM 1587 OH TYR A 97 -5.356 -2.357 -9.844 1.00 0.00 O ATOM 0 H TYR A 97 -8.903 -6.300 -3.804 1.00 0.00 H new ATOM 0 HA TYR A 97 -8.008 -7.260 -6.266 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -9.428 -5.406 -6.352 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -8.566 -4.545 -5.092 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -8.195 -5.725 -8.649 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -6.907 -2.952 -5.616 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -6.822 -4.517 -10.338 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -5.473 -1.794 -7.281 1.00 0.00 H new ATOM 0 HH TYR A 97 -4.960 -1.568 -9.419 1.00 0.00 H new ATOM 1597 N LEU A 98 -5.672 -5.479 -4.678 1.00 0.00 N ATOM 1598 CA LEU A 98 -4.247 -5.122 -4.696 1.00 0.00 C ATOM 1599 C LEU A 98 -3.366 -6.360 -4.557 1.00 0.00 C ATOM 1600 O LEU A 98 -2.433 -6.555 -5.329 1.00 0.00 O ATOM 1601 CB LEU A 98 -3.941 -4.093 -3.589 1.00 0.00 C ATOM 1602 CG LEU A 98 -3.005 -2.959 -4.038 1.00 0.00 C ATOM 1603 CD1 LEU A 98 -2.874 -1.955 -2.896 1.00 0.00 C ATOM 1604 CD2 LEU A 98 -1.584 -3.397 -4.387 1.00 0.00 C ATOM 0 H LEU A 98 -6.198 -5.027 -3.930 1.00 0.00 H new ATOM 0 HA LEU A 98 -4.019 -4.668 -5.660 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -4.878 -3.661 -3.239 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -3.491 -4.609 -2.741 1.00 0.00 H new ATOM 0 HG LEU A 98 -3.458 -2.551 -4.941 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -2.212 -1.143 -3.199 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -3.856 -1.551 -2.653 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -2.459 -2.453 -2.020 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -1.000 -2.529 -4.692 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -1.121 -3.858 -3.515 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -1.616 -4.118 -5.204 1.00 0.00 H new ATOM 1616 N LYS A 99 -3.741 -7.236 -3.627 1.00 0.00 N ATOM 1617 CA LYS A 99 -3.184 -8.575 -3.443 1.00 0.00 C ATOM 1618 C LYS A 99 -3.278 -9.402 -4.728 1.00 0.00 C ATOM 1619 O LYS A 99 -2.271 -9.950 -5.141 1.00 0.00 O ATOM 1620 CB LYS A 99 -3.858 -9.211 -2.216 1.00 0.00 C ATOM 1621 CG LYS A 99 -3.201 -10.500 -1.704 1.00 0.00 C ATOM 1622 CD LYS A 99 -3.790 -11.783 -2.313 1.00 0.00 C ATOM 1623 CE LYS A 99 -3.536 -12.957 -1.359 1.00 0.00 C ATOM 1624 NZ LYS A 99 -4.563 -13.013 -0.292 1.00 0.00 N ATOM 0 H LYS A 99 -4.474 -7.022 -2.951 1.00 0.00 H new ATOM 0 HA LYS A 99 -2.114 -8.529 -3.240 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -3.867 -8.481 -1.407 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -4.898 -9.426 -2.463 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -2.133 -10.463 -1.921 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -3.305 -10.543 -0.620 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -4.860 -11.661 -2.482 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -3.334 -11.982 -3.283 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -3.539 -13.892 -1.920 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -2.547 -12.857 -0.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -4.099 -12.988 0.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -5.202 -12.197 -0.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -5.110 -13.893 -0.383 1.00 0.00 H new ATOM 1638 N LYS A 100 -4.407 -9.412 -5.450 1.00 0.00 N ATOM 1639 CA LYS A 100 -4.570 -10.102 -6.761 1.00 0.00 C ATOM 1640 C LYS A 100 -3.825 -9.452 -7.935 1.00 0.00 C ATOM 1641 O LYS A 100 -3.672 -10.054 -8.996 1.00 0.00 O ATOM 1642 CB LYS A 100 -6.069 -10.206 -7.066 1.00 0.00 C ATOM 1643 CG LYS A 100 -6.510 -11.181 -8.178 1.00 0.00 C ATOM 1644 CD LYS A 100 -6.006 -12.630 -8.027 1.00 0.00 C ATOM 1645 CE LYS A 100 -4.754 -12.885 -8.879 1.00 0.00 C ATOM 1646 NZ LYS A 100 -4.114 -14.174 -8.556 1.00 0.00 N ATOM 0 H LYS A 100 -5.255 -8.935 -5.144 1.00 0.00 H new ATOM 0 HA LYS A 100 -4.110 -11.085 -6.660 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -6.579 -10.494 -6.147 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -6.427 -9.211 -7.331 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -7.599 -11.195 -8.214 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -6.165 -10.792 -9.136 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -5.781 -12.830 -6.979 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -6.794 -13.323 -8.322 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -5.026 -12.870 -9.935 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -4.039 -12.077 -8.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -3.105 -14.133 -8.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -4.212 -14.365 -7.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -4.573 -14.935 -9.097 1.00 0.00 H new ATOM 1660 N ALA A 101 -3.377 -8.219 -7.764 1.00 0.00 N ATOM 1661 CA ALA A 101 -2.432 -7.552 -8.661 1.00 0.00 C ATOM 1662 C ALA A 101 -0.962 -7.952 -8.397 1.00 0.00 C ATOM 1663 O ALA A 101 -0.112 -7.719 -9.260 1.00 0.00 O ATOM 1664 CB ALA A 101 -2.652 -6.037 -8.595 1.00 0.00 C ATOM 0 H ALA A 101 -3.665 -7.635 -6.979 1.00 0.00 H new ATOM 0 HA ALA A 101 -2.631 -7.890 -9.678 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -1.949 -5.538 -9.262 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -3.672 -5.804 -8.902 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -2.492 -5.690 -7.574 1.00 0.00 H new ATOM 1670 N THR A 102 -0.661 -8.570 -7.245 1.00 0.00 N ATOM 1671 CA THR A 102 0.674 -9.078 -6.863 1.00 0.00 C ATOM 1672 C THR A 102 0.783 -10.607 -6.761 1.00 0.00 C ATOM 1673 O THR A 102 1.886 -11.117 -6.935 1.00 0.00 O ATOM 1674 CB THR A 102 1.139 -8.510 -5.515 1.00 0.00 C ATOM 1675 OG1 THR A 102 0.295 -8.840 -4.439 1.00 0.00 O ATOM 1676 CG2 THR A 102 1.217 -6.988 -5.547 1.00 0.00 C ATOM 0 H THR A 102 -1.363 -8.738 -6.525 1.00 0.00 H new ATOM 0 HA THR A 102 1.307 -8.741 -7.684 1.00 0.00 H new ATOM 0 HB THR A 102 2.118 -8.963 -5.361 1.00 0.00 H new ATOM 0 HG1 THR A 102 -0.546 -9.206 -4.783 1.00 0.00 H new ATOM 0 HG21 THR A 102 1.549 -6.620 -4.576 1.00 0.00 H new ATOM 0 HG22 THR A 102 1.925 -6.676 -6.315 1.00 0.00 H new ATOM 0 HG23 THR A 102 0.233 -6.578 -5.773 1.00 0.00 H new ATOM 1684 N GLU A 103 -0.323 -11.304 -6.467 1.00 0.00 N ATOM 1685 CA GLU A 103 -0.468 -12.757 -6.219 1.00 0.00 C ATOM 1686 C GLU A 103 -1.704 -13.325 -6.933 1.00 0.00 C ATOM 1687 O GLU A 103 -1.553 -13.947 -8.008 1.00 0.00 O ATOM 1688 CB GLU A 103 -0.603 -13.061 -4.709 1.00 0.00 C ATOM 1689 CG GLU A 103 0.589 -12.765 -3.789 1.00 0.00 C ATOM 1690 CD GLU A 103 0.315 -13.324 -2.373 1.00 0.00 C ATOM 1691 OE1 GLU A 103 -0.561 -12.767 -1.665 1.00 0.00 O ATOM 1692 OE2 GLU A 103 0.939 -14.346 -2.002 1.00 0.00 O ATOM 1693 OXT GLU A 103 -2.851 -13.153 -6.451 1.00 0.00 O ATOM 0 H GLU A 103 -1.222 -10.829 -6.388 1.00 0.00 H new ATOM 0 HA GLU A 103 0.434 -13.228 -6.610 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -1.458 -12.499 -4.334 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -0.846 -14.118 -4.605 1.00 0.00 H new ATOM 0 HG2 GLU A 103 1.494 -13.214 -4.197 1.00 0.00 H new ATOM 0 HG3 GLU A 103 0.761 -11.690 -3.738 1.00 0.00 H new