USER MOD reduce.3.24.130724 H: found=0, std=0, add=498, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 499 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 5 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.0231 USER MOD Single : A 16 LYS NZ :NH3+ 156:sc= -1.67! (180deg=-2.6!) USER MOD Single : A 24 CYS SG : rot 68:sc= -4.04! USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 175:sc= -0.101 (180deg=-0.15) USER MOD Single : A 30 HIS : no HD1:sc= 0 X(o=0,f=-0.02) USER MOD Single : A 32 HIS : no HE2:sc= -0.276 K(o=-0.28,f=-1.2) USER MOD Single : A 33 LYS NZ :NH3+ 142:sc= -0.784! (180deg=-3.17!) USER MOD Single : A 35 ASN : amide:sc=-0.00229 K(o=-0.0023,f=-1.3) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 139:sc= -0.129 (180deg=-0.641) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -0.0592 K(o=-0.059,f=-3.8!) USER MOD Single : A 53 TYR OH : rot 165:sc= 1.27 USER MOD Single : A 56 LYS NZ :NH3+ -137:sc= -0.176 (180deg=-0.856) USER MOD Single : A 58 THR OG1 : rot -86:sc= 1.23 USER MOD Single : A 61 SER OG : rot 23:sc= 0.847 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ -153:sc= 2.1 (180deg=1.43) USER MOD ----------------------------------------------------------------- ATOM 45 N SER A 5 -9.615 -3.238 4.726 1.00 0.00 N ATOM 46 CA SER A 5 -9.518 -1.900 4.167 1.00 0.00 C ATOM 47 C SER A 5 -9.038 -0.941 5.240 1.00 0.00 C ATOM 48 O SER A 5 -9.637 -0.836 6.314 1.00 0.00 O ATOM 49 CB SER A 5 -10.861 -1.448 3.599 1.00 0.00 C ATOM 50 OG SER A 5 -10.804 -0.108 3.148 1.00 0.00 O ATOM 0 HA SER A 5 -8.800 -1.909 3.347 1.00 0.00 H new ATOM 0 HB2 SER A 5 -11.147 -2.100 2.774 1.00 0.00 H new ATOM 0 HB3 SER A 5 -11.632 -1.544 4.363 1.00 0.00 H new ATOM 0 HG SER A 5 -11.677 0.153 2.788 1.00 0.00 H new ATOM 56 N ARG A 6 -7.961 -0.250 4.944 1.00 0.00 N ATOM 57 CA ARG A 6 -7.247 0.502 5.957 1.00 0.00 C ATOM 58 C ARG A 6 -6.701 1.802 5.411 1.00 0.00 C ATOM 59 O ARG A 6 -6.867 2.118 4.238 1.00 0.00 O ATOM 60 CB ARG A 6 -6.105 -0.340 6.488 1.00 0.00 C ATOM 61 CG ARG A 6 -5.036 -0.634 5.452 1.00 0.00 C ATOM 62 CD ARG A 6 -4.052 -1.670 5.959 1.00 0.00 C ATOM 63 NE ARG A 6 -4.733 -2.865 6.455 1.00 0.00 N ATOM 64 CZ ARG A 6 -4.806 -3.189 7.744 1.00 0.00 C ATOM 65 NH1 ARG A 6 -4.282 -2.386 8.662 1.00 0.00 N ATOM 66 NH2 ARG A 6 -5.415 -4.306 8.109 1.00 0.00 N ATOM 0 H ARG A 6 -7.558 -0.191 4.009 1.00 0.00 H new ATOM 0 HA ARG A 6 -7.948 0.744 6.756 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -5.648 0.174 7.334 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -6.503 -1.282 6.865 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -5.503 -0.991 4.534 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -4.505 0.285 5.203 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -3.369 -1.947 5.156 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -3.447 -1.238 6.757 1.00 0.00 H new ATOM 0 HE ARG A 6 -5.176 -3.484 5.776 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -3.823 -1.520 8.380 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -4.338 -2.635 9.650 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -5.827 -4.916 7.403 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -5.472 -4.557 9.096 1.00 0.00 H new ATOM 80 N LEU A 7 -6.027 2.526 6.283 1.00 0.00 N ATOM 81 CA LEU A 7 -5.503 3.838 5.967 1.00 0.00 C ATOM 82 C LEU A 7 -4.045 3.722 5.526 1.00 0.00 C ATOM 83 O LEU A 7 -3.153 3.499 6.349 1.00 0.00 O ATOM 84 CB LEU A 7 -5.643 4.745 7.203 1.00 0.00 C ATOM 85 CG LEU A 7 -5.565 6.259 6.958 1.00 0.00 C ATOM 86 CD1 LEU A 7 -4.144 6.693 6.643 1.00 0.00 C ATOM 87 CD2 LEU A 7 -6.505 6.667 5.833 1.00 0.00 C ATOM 0 H LEU A 7 -5.827 2.218 7.235 1.00 0.00 H new ATOM 0 HA LEU A 7 -6.066 4.279 5.145 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -6.598 4.526 7.680 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -4.863 4.474 7.914 1.00 0.00 H new ATOM 0 HG LEU A 7 -5.876 6.762 7.874 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -4.121 7.770 6.474 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -3.493 6.443 7.481 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -3.796 6.178 5.747 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -6.436 7.743 5.674 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -6.225 6.146 4.918 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -7.528 6.405 6.101 1.00 0.00 H new ATOM 99 N TRP A 8 -3.826 3.863 4.227 1.00 0.00 N ATOM 100 CA TRP A 8 -2.491 3.834 3.649 1.00 0.00 C ATOM 101 C TRP A 8 -1.945 5.252 3.588 1.00 0.00 C ATOM 102 O TRP A 8 -2.679 6.189 3.261 1.00 0.00 O ATOM 103 CB TRP A 8 -2.522 3.243 2.230 1.00 0.00 C ATOM 104 CG TRP A 8 -3.025 1.828 2.157 1.00 0.00 C ATOM 105 CD1 TRP A 8 -4.294 1.394 2.403 1.00 0.00 C ATOM 106 CD2 TRP A 8 -2.271 0.667 1.786 1.00 0.00 C ATOM 107 NE1 TRP A 8 -4.372 0.034 2.224 1.00 0.00 N ATOM 108 CE2 TRP A 8 -3.143 -0.435 1.846 1.00 0.00 C ATOM 109 CE3 TRP A 8 -0.941 0.453 1.416 1.00 0.00 C ATOM 110 CZ2 TRP A 8 -2.728 -1.731 1.548 1.00 0.00 C ATOM 111 CZ3 TRP A 8 -0.530 -0.832 1.120 1.00 0.00 C ATOM 112 CH2 TRP A 8 -1.419 -1.909 1.187 1.00 0.00 C ATOM 0 H TRP A 8 -4.570 4.001 3.543 1.00 0.00 H new ATOM 0 HA TRP A 8 -1.853 3.208 4.273 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -3.152 3.872 1.601 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -1.516 3.280 1.812 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -5.118 2.027 2.696 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -5.210 -0.534 2.352 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -0.246 1.278 1.362 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -3.413 -2.564 1.600 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 0.496 -1.008 0.832 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -1.066 -2.902 0.949 1.00 0.00 H new ATOM 123 N VAL A 9 -0.674 5.415 3.905 1.00 0.00 N ATOM 124 CA VAL A 9 -0.058 6.735 3.925 1.00 0.00 C ATOM 125 C VAL A 9 1.092 6.812 2.929 1.00 0.00 C ATOM 126 O VAL A 9 1.881 5.878 2.804 1.00 0.00 O ATOM 127 CB VAL A 9 0.477 7.085 5.332 1.00 0.00 C ATOM 128 CG1 VAL A 9 1.051 8.494 5.357 1.00 0.00 C ATOM 129 CG2 VAL A 9 -0.616 6.941 6.376 1.00 0.00 C ATOM 0 H VAL A 9 -0.045 4.651 4.153 1.00 0.00 H new ATOM 0 HA VAL A 9 -0.831 7.452 3.648 1.00 0.00 H new ATOM 0 HB VAL A 9 1.276 6.383 5.571 1.00 0.00 H new ATOM 0 HG11 VAL A 9 1.421 8.718 6.357 1.00 0.00 H new ATOM 0 HG12 VAL A 9 1.871 8.566 4.642 1.00 0.00 H new ATOM 0 HG13 VAL A 9 0.273 9.209 5.090 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -0.216 7.192 7.358 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -1.439 7.614 6.136 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -0.978 5.913 6.384 1.00 0.00 H new ATOM 139 N ASP A 10 1.163 7.927 2.209 1.00 0.00 N ATOM 140 CA ASP A 10 2.300 8.206 1.336 1.00 0.00 C ATOM 141 C ASP A 10 3.559 8.333 2.181 1.00 0.00 C ATOM 142 O ASP A 10 3.503 8.640 3.372 1.00 0.00 O ATOM 143 CB ASP A 10 2.094 9.519 0.589 1.00 0.00 C ATOM 144 CG ASP A 10 2.986 9.704 -0.622 1.00 0.00 C ATOM 145 OD1 ASP A 10 4.127 10.182 -0.442 1.00 0.00 O ATOM 146 OD2 ASP A 10 2.527 9.452 -1.749 1.00 0.00 O ATOM 0 H ASP A 10 0.447 8.653 2.212 1.00 0.00 H new ATOM 0 HA ASP A 10 2.393 7.391 0.619 1.00 0.00 H new ATOM 0 HB2 ASP A 10 1.054 9.581 0.270 1.00 0.00 H new ATOM 0 HB3 ASP A 10 2.265 10.345 1.279 1.00 0.00 H new ATOM 151 N ARG A 11 4.679 8.151 1.536 1.00 0.00 N ATOM 152 CA ARG A 11 5.975 8.174 2.192 1.00 0.00 C ATOM 153 C ARG A 11 6.347 9.604 2.541 1.00 0.00 C ATOM 154 O ARG A 11 6.958 9.871 3.576 1.00 0.00 O ATOM 155 CB ARG A 11 7.033 7.559 1.284 1.00 0.00 C ATOM 156 CG ARG A 11 8.322 7.207 2.002 1.00 0.00 C ATOM 157 CD ARG A 11 9.204 6.334 1.133 1.00 0.00 C ATOM 158 NE ARG A 11 9.788 7.069 0.012 1.00 0.00 N ATOM 159 CZ ARG A 11 10.634 6.535 -0.871 1.00 0.00 C ATOM 160 NH1 ARG A 11 10.922 5.236 -0.828 1.00 0.00 N ATOM 161 NH2 ARG A 11 11.178 7.297 -1.811 1.00 0.00 N ATOM 0 H ARG A 11 4.727 7.980 0.532 1.00 0.00 H new ATOM 0 HA ARG A 11 5.922 7.588 3.109 1.00 0.00 H new ATOM 0 HB2 ARG A 11 6.626 6.658 0.824 1.00 0.00 H new ATOM 0 HB3 ARG A 11 7.256 8.256 0.476 1.00 0.00 H new ATOM 0 HG2 ARG A 11 8.856 8.119 2.268 1.00 0.00 H new ATOM 0 HG3 ARG A 11 8.094 6.688 2.933 1.00 0.00 H new ATOM 0 HD2 ARG A 11 10.003 5.911 1.741 1.00 0.00 H new ATOM 0 HD3 ARG A 11 8.618 5.498 0.750 1.00 0.00 H new ATOM 0 HE ARG A 11 9.533 8.050 -0.102 1.00 0.00 H new ATOM 0 HH11 ARG A 11 10.495 4.642 -0.117 1.00 0.00 H new ATOM 0 HH12 ARG A 11 11.570 4.834 -1.506 1.00 0.00 H new ATOM 0 HH21 ARG A 11 10.949 8.290 -1.858 1.00 0.00 H new ATOM 0 HH22 ARG A 11 11.825 6.890 -2.486 1.00 0.00 H new ATOM 175 N SER A 12 5.951 10.520 1.672 1.00 0.00 N ATOM 176 CA SER A 12 6.186 11.934 1.885 1.00 0.00 C ATOM 177 C SER A 12 4.958 12.581 2.514 1.00 0.00 C ATOM 178 O SER A 12 4.845 13.805 2.576 1.00 0.00 O ATOM 179 CB SER A 12 6.513 12.611 0.555 1.00 0.00 C ATOM 180 OG SER A 12 7.596 11.962 -0.091 1.00 0.00 O ATOM 0 H SER A 12 5.460 10.303 0.804 1.00 0.00 H new ATOM 0 HA SER A 12 7.031 12.055 2.563 1.00 0.00 H new ATOM 0 HB2 SER A 12 5.636 12.594 -0.092 1.00 0.00 H new ATOM 0 HB3 SER A 12 6.762 13.658 0.727 1.00 0.00 H new ATOM 0 HG SER A 12 7.787 12.411 -0.941 1.00 0.00 H new ATOM 186 N GLY A 13 4.033 11.741 2.973 1.00 0.00 N ATOM 187 CA GLY A 13 2.804 12.230 3.570 1.00 0.00 C ATOM 188 C GLY A 13 1.948 12.976 2.569 1.00 0.00 C ATOM 189 O GLY A 13 1.189 13.876 2.933 1.00 0.00 O ATOM 0 H GLY A 13 4.115 10.725 2.941 1.00 0.00 H new ATOM 0 HA2 GLY A 13 2.239 11.391 3.977 1.00 0.00 H new ATOM 0 HA3 GLY A 13 3.043 12.888 4.405 1.00 0.00 H new ATOM 193 N THR A 14 2.079 12.599 1.306 1.00 0.00 N ATOM 194 CA THR A 14 1.368 13.256 0.224 1.00 0.00 C ATOM 195 C THR A 14 -0.139 13.002 0.320 1.00 0.00 C ATOM 196 O THR A 14 -0.943 13.896 0.043 1.00 0.00 O ATOM 197 CB THR A 14 1.888 12.771 -1.142 1.00 0.00 C ATOM 198 OG1 THR A 14 3.326 12.735 -1.134 1.00 0.00 O ATOM 199 CG2 THR A 14 1.409 13.682 -2.264 1.00 0.00 C ATOM 0 H THR A 14 2.679 11.831 1.005 1.00 0.00 H new ATOM 0 HA THR A 14 1.548 14.327 0.315 1.00 0.00 H new ATOM 0 HB THR A 14 1.496 11.769 -1.318 1.00 0.00 H new ATOM 0 HG1 THR A 14 3.650 12.424 -2.005 1.00 0.00 H new ATOM 0 HG21 THR A 14 1.791 13.317 -3.217 1.00 0.00 H new ATOM 0 HG22 THR A 14 0.319 13.688 -2.288 1.00 0.00 H new ATOM 0 HG23 THR A 14 1.774 14.695 -2.091 1.00 0.00 H new ATOM 207 N PHE A 15 -0.518 11.797 0.733 1.00 0.00 N ATOM 208 CA PHE A 15 -1.926 11.448 0.854 1.00 0.00 C ATOM 209 C PHE A 15 -2.128 10.281 1.804 1.00 0.00 C ATOM 210 O PHE A 15 -1.205 9.508 2.074 1.00 0.00 O ATOM 211 CB PHE A 15 -2.543 11.115 -0.515 1.00 0.00 C ATOM 212 CG PHE A 15 -1.763 10.120 -1.343 1.00 0.00 C ATOM 213 CD1 PHE A 15 -1.832 8.751 -1.091 1.00 0.00 C ATOM 214 CD2 PHE A 15 -0.970 10.559 -2.389 1.00 0.00 C ATOM 215 CE1 PHE A 15 -1.122 7.856 -1.864 1.00 0.00 C ATOM 216 CE2 PHE A 15 -0.262 9.665 -3.165 1.00 0.00 C ATOM 217 CZ PHE A 15 -0.338 8.313 -2.902 1.00 0.00 C ATOM 0 H PHE A 15 0.128 11.050 0.988 1.00 0.00 H new ATOM 0 HA PHE A 15 -2.434 12.322 1.262 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -3.549 10.725 -0.358 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -2.645 12.038 -1.085 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -2.448 8.387 -0.282 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -0.905 11.616 -2.601 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -1.180 6.798 -1.656 1.00 0.00 H new ATOM 0 HE2 PHE A 15 0.352 10.023 -3.978 1.00 0.00 H new ATOM 0 HZ PHE A 15 0.216 7.613 -3.509 1.00 0.00 H new ATOM 227 N LYS A 16 -3.340 10.193 2.331 1.00 0.00 N ATOM 228 CA LYS A 16 -3.778 9.049 3.111 1.00 0.00 C ATOM 229 C LYS A 16 -5.056 8.503 2.492 1.00 0.00 C ATOM 230 O LYS A 16 -5.974 9.264 2.187 1.00 0.00 O ATOM 231 CB LYS A 16 -4.042 9.448 4.561 1.00 0.00 C ATOM 232 CG LYS A 16 -2.833 10.031 5.279 1.00 0.00 C ATOM 233 CD LYS A 16 -3.169 10.441 6.706 1.00 0.00 C ATOM 234 CE LYS A 16 -3.779 11.837 6.786 1.00 0.00 C ATOM 235 NZ LYS A 16 -5.044 11.965 6.014 1.00 0.00 N ATOM 0 H LYS A 16 -4.050 10.918 2.228 1.00 0.00 H new ATOM 0 HA LYS A 16 -2.996 8.290 3.105 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -4.851 10.179 4.583 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -4.389 8.572 5.110 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -2.028 9.296 5.292 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -2.466 10.897 4.729 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -3.865 9.719 7.133 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -2.264 10.409 7.312 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -3.971 12.084 7.830 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -3.058 12.564 6.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -5.612 12.743 6.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -4.824 12.164 5.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -5.582 11.077 6.079 1.00 0.00 H new ATOM 249 N VAL A 17 -5.116 7.199 2.297 1.00 0.00 N ATOM 250 CA VAL A 17 -6.260 6.588 1.631 1.00 0.00 C ATOM 251 C VAL A 17 -6.745 5.340 2.338 1.00 0.00 C ATOM 252 O VAL A 17 -5.957 4.541 2.830 1.00 0.00 O ATOM 253 CB VAL A 17 -5.962 6.238 0.161 1.00 0.00 C ATOM 254 CG1 VAL A 17 -6.291 7.419 -0.725 1.00 0.00 C ATOM 255 CG2 VAL A 17 -4.511 5.813 -0.024 1.00 0.00 C ATOM 0 H VAL A 17 -4.392 6.542 2.587 1.00 0.00 H new ATOM 0 HA VAL A 17 -7.045 7.343 1.668 1.00 0.00 H new ATOM 0 HB VAL A 17 -6.589 5.394 -0.125 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -6.078 7.165 -1.763 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -7.347 7.668 -0.622 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -5.685 8.276 -0.429 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -4.333 5.573 -1.072 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -3.852 6.627 0.279 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -4.308 4.935 0.589 1.00 0.00 H new ATOM 265 N ASP A 18 -8.056 5.189 2.370 1.00 0.00 N ATOM 266 CA ASP A 18 -8.686 4.005 2.950 1.00 0.00 C ATOM 267 C ASP A 18 -8.988 2.987 1.869 1.00 0.00 C ATOM 268 O ASP A 18 -9.800 3.232 0.973 1.00 0.00 O ATOM 269 CB ASP A 18 -9.962 4.364 3.721 1.00 0.00 C ATOM 270 CG ASP A 18 -10.816 5.409 3.024 1.00 0.00 C ATOM 271 OD1 ASP A 18 -11.684 5.037 2.205 1.00 0.00 O ATOM 272 OD2 ASP A 18 -10.621 6.614 3.293 1.00 0.00 O ATOM 0 H ASP A 18 -8.714 5.874 1.999 1.00 0.00 H new ATOM 0 HA ASP A 18 -7.984 3.569 3.661 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -10.555 3.461 3.868 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -9.688 4.731 4.710 1.00 0.00 H new ATOM 277 N ALA A 19 -8.326 1.845 1.954 1.00 0.00 N ATOM 278 CA ALA A 19 -8.404 0.844 0.904 1.00 0.00 C ATOM 279 C ALA A 19 -7.758 -0.457 1.339 1.00 0.00 C ATOM 280 O ALA A 19 -7.061 -0.512 2.353 1.00 0.00 O ATOM 281 CB ALA A 19 -7.714 1.354 -0.354 1.00 0.00 C ATOM 0 H ALA A 19 -7.728 1.588 2.740 1.00 0.00 H new ATOM 0 HA ALA A 19 -9.458 0.657 0.697 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -7.777 0.597 -1.136 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -8.203 2.267 -0.693 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -6.667 1.563 -0.135 1.00 0.00 H new ATOM 287 N GLU A 20 -8.004 -1.502 0.571 1.00 0.00 N ATOM 288 CA GLU A 20 -7.326 -2.766 0.765 1.00 0.00 C ATOM 289 C GLU A 20 -6.511 -3.074 -0.480 1.00 0.00 C ATOM 290 O GLU A 20 -6.963 -2.811 -1.600 1.00 0.00 O ATOM 291 CB GLU A 20 -8.335 -3.888 1.017 1.00 0.00 C ATOM 292 CG GLU A 20 -7.911 -4.866 2.106 1.00 0.00 C ATOM 293 CD GLU A 20 -6.546 -5.489 1.869 1.00 0.00 C ATOM 294 OE1 GLU A 20 -5.529 -4.864 2.236 1.00 0.00 O ATOM 295 OE2 GLU A 20 -6.488 -6.608 1.329 1.00 0.00 O ATOM 0 H GLU A 20 -8.674 -1.498 -0.198 1.00 0.00 H new ATOM 0 HA GLU A 20 -6.673 -2.697 1.635 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -9.293 -3.447 1.291 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -8.491 -4.438 0.089 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -7.902 -4.347 3.065 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -8.655 -5.659 2.179 1.00 0.00 H new ATOM 302 N PHE A 21 -5.318 -3.607 -0.287 1.00 0.00 N ATOM 303 CA PHE A 21 -4.468 -3.996 -1.399 1.00 0.00 C ATOM 304 C PHE A 21 -5.110 -5.142 -2.164 1.00 0.00 C ATOM 305 O PHE A 21 -5.617 -6.093 -1.572 1.00 0.00 O ATOM 306 CB PHE A 21 -3.069 -4.386 -0.894 1.00 0.00 C ATOM 307 CG PHE A 21 -2.450 -5.526 -1.661 1.00 0.00 C ATOM 308 CD1 PHE A 21 -2.700 -6.837 -1.287 1.00 0.00 C ATOM 309 CD2 PHE A 21 -1.648 -5.294 -2.771 1.00 0.00 C ATOM 310 CE1 PHE A 21 -2.170 -7.891 -2.000 1.00 0.00 C ATOM 311 CE2 PHE A 21 -1.112 -6.350 -3.477 1.00 0.00 C ATOM 312 CZ PHE A 21 -1.377 -7.646 -3.096 1.00 0.00 C ATOM 0 H PHE A 21 -4.914 -3.781 0.633 1.00 0.00 H new ATOM 0 HA PHE A 21 -4.356 -3.149 -2.076 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -2.413 -3.518 -0.957 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -3.135 -4.660 0.159 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -3.319 -7.036 -0.425 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -1.443 -4.281 -3.083 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -2.377 -8.907 -1.698 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -0.481 -6.160 -4.333 1.00 0.00 H new ATOM 0 HZ PHE A 21 -0.962 -8.470 -3.658 1.00 0.00 H new ATOM 322 N ILE A 22 -5.112 -5.042 -3.478 1.00 0.00 N ATOM 323 CA ILE A 22 -5.655 -6.101 -4.304 1.00 0.00 C ATOM 324 C ILE A 22 -4.535 -6.805 -5.055 1.00 0.00 C ATOM 325 O ILE A 22 -4.455 -8.033 -5.061 1.00 0.00 O ATOM 326 CB ILE A 22 -6.684 -5.567 -5.322 1.00 0.00 C ATOM 327 CG1 ILE A 22 -7.276 -4.245 -4.842 1.00 0.00 C ATOM 328 CG2 ILE A 22 -7.794 -6.583 -5.523 1.00 0.00 C ATOM 329 CD1 ILE A 22 -8.276 -3.649 -5.805 1.00 0.00 C ATOM 0 H ILE A 22 -4.746 -4.242 -3.995 1.00 0.00 H new ATOM 0 HA ILE A 22 -6.161 -6.801 -3.639 1.00 0.00 H new ATOM 0 HB ILE A 22 -6.174 -5.399 -6.271 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -7.760 -4.401 -3.878 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -6.468 -3.531 -4.681 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -8.515 -6.196 -6.243 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -7.371 -7.515 -5.898 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -8.294 -6.768 -4.572 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -8.656 -2.711 -5.400 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -7.791 -3.461 -6.763 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -9.103 -4.345 -5.947 1.00 0.00 H new ATOM 341 N GLY A 23 -3.661 -6.013 -5.667 1.00 0.00 N ATOM 342 CA GLY A 23 -2.558 -6.569 -6.428 1.00 0.00 C ATOM 343 C GLY A 23 -1.500 -5.535 -6.744 1.00 0.00 C ATOM 344 O GLY A 23 -1.818 -4.389 -7.065 1.00 0.00 O ATOM 0 H GLY A 23 -3.697 -4.994 -5.649 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -2.107 -7.387 -5.866 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -2.938 -6.993 -7.358 1.00 0.00 H new ATOM 348 N CYS A 24 -0.242 -5.930 -6.644 1.00 0.00 N ATOM 349 CA CYS A 24 0.866 -5.035 -6.928 1.00 0.00 C ATOM 350 C CYS A 24 1.383 -5.282 -8.346 1.00 0.00 C ATOM 351 O CYS A 24 1.705 -6.417 -8.709 1.00 0.00 O ATOM 352 CB CYS A 24 1.996 -5.223 -5.901 1.00 0.00 C ATOM 353 SG CYS A 24 1.521 -4.880 -4.193 1.00 0.00 S ATOM 0 H CYS A 24 0.038 -6.871 -6.366 1.00 0.00 H new ATOM 0 HA CYS A 24 0.512 -4.007 -6.855 1.00 0.00 H new ATOM 0 HB2 CYS A 24 2.360 -6.248 -5.964 1.00 0.00 H new ATOM 0 HB3 CYS A 24 2.827 -4.572 -6.171 1.00 0.00 H new ATOM 0 HG CYS A 24 0.678 -5.783 -3.787 1.00 0.00 H new ATOM 359 N ALA A 25 1.457 -4.225 -9.147 1.00 0.00 N ATOM 360 CA ALA A 25 1.856 -4.349 -10.541 1.00 0.00 C ATOM 361 C ALA A 25 2.608 -3.107 -10.995 1.00 0.00 C ATOM 362 O ALA A 25 2.212 -1.985 -10.668 1.00 0.00 O ATOM 363 CB ALA A 25 0.641 -4.582 -11.426 1.00 0.00 C ATOM 0 H ALA A 25 1.245 -3.272 -8.853 1.00 0.00 H new ATOM 0 HA ALA A 25 2.520 -5.208 -10.630 1.00 0.00 H new ATOM 0 HB1 ALA A 25 0.959 -4.672 -12.465 1.00 0.00 H new ATOM 0 HB2 ALA A 25 0.138 -5.499 -11.120 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -0.046 -3.742 -11.329 1.00 0.00 H new ATOM 369 N LYS A 26 3.703 -3.318 -11.728 1.00 0.00 N ATOM 370 CA LYS A 26 4.522 -2.225 -12.260 1.00 0.00 C ATOM 371 C LYS A 26 5.141 -1.423 -11.111 1.00 0.00 C ATOM 372 O LYS A 26 5.429 -0.232 -11.236 1.00 0.00 O ATOM 373 CB LYS A 26 3.678 -1.324 -13.178 1.00 0.00 C ATOM 374 CG LYS A 26 4.480 -0.312 -13.985 1.00 0.00 C ATOM 375 CD LYS A 26 5.481 -0.993 -14.902 1.00 0.00 C ATOM 376 CE LYS A 26 6.272 0.020 -15.712 1.00 0.00 C ATOM 377 NZ LYS A 26 7.225 -0.637 -16.644 1.00 0.00 N ATOM 0 H LYS A 26 4.047 -4.248 -11.969 1.00 0.00 H new ATOM 0 HA LYS A 26 5.333 -2.644 -12.855 1.00 0.00 H new ATOM 0 HB2 LYS A 26 3.116 -1.955 -13.867 1.00 0.00 H new ATOM 0 HB3 LYS A 26 2.950 -0.788 -12.569 1.00 0.00 H new ATOM 0 HG2 LYS A 26 3.801 0.301 -14.578 1.00 0.00 H new ATOM 0 HG3 LYS A 26 5.006 0.360 -13.307 1.00 0.00 H new ATOM 0 HD2 LYS A 26 6.165 -1.600 -14.309 1.00 0.00 H new ATOM 0 HD3 LYS A 26 4.957 -1.670 -15.576 1.00 0.00 H new ATOM 0 HE2 LYS A 26 5.584 0.648 -16.279 1.00 0.00 H new ATOM 0 HE3 LYS A 26 6.820 0.677 -15.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 7.745 0.089 -17.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 7.897 -1.216 -16.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 6.701 -1.244 -17.306 1.00 0.00 H new ATOM 391 N GLY A 27 5.343 -2.092 -9.985 1.00 0.00 N ATOM 392 CA GLY A 27 5.894 -1.433 -8.818 1.00 0.00 C ATOM 393 C GLY A 27 4.850 -0.632 -8.066 1.00 0.00 C ATOM 394 O GLY A 27 5.161 0.048 -7.090 1.00 0.00 O ATOM 0 H GLY A 27 5.135 -3.082 -9.858 1.00 0.00 H new ATOM 0 HA2 GLY A 27 6.326 -2.179 -8.152 1.00 0.00 H new ATOM 0 HA3 GLY A 27 6.705 -0.772 -9.125 1.00 0.00 H new ATOM 398 N LYS A 28 3.609 -0.707 -8.524 1.00 0.00 N ATOM 399 CA LYS A 28 2.517 -0.002 -7.878 1.00 0.00 C ATOM 400 C LYS A 28 1.593 -0.985 -7.196 1.00 0.00 C ATOM 401 O LYS A 28 1.730 -2.194 -7.363 1.00 0.00 O ATOM 402 CB LYS A 28 1.717 0.820 -8.883 1.00 0.00 C ATOM 403 CG LYS A 28 2.563 1.715 -9.766 1.00 0.00 C ATOM 404 CD LYS A 28 1.721 2.825 -10.365 1.00 0.00 C ATOM 405 CE LYS A 28 2.453 3.577 -11.466 1.00 0.00 C ATOM 406 NZ LYS A 28 3.687 4.246 -10.972 1.00 0.00 N ATOM 0 H LYS A 28 3.335 -1.251 -9.342 1.00 0.00 H new ATOM 0 HA LYS A 28 2.951 0.673 -7.140 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.143 0.142 -9.515 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.999 1.436 -8.342 1.00 0.00 H new ATOM 0 HG2 LYS A 28 3.378 2.144 -9.183 1.00 0.00 H new ATOM 0 HG3 LYS A 28 3.016 1.125 -10.563 1.00 0.00 H new ATOM 0 HD2 LYS A 28 0.800 2.402 -10.767 1.00 0.00 H new ATOM 0 HD3 LYS A 28 1.434 3.524 -9.580 1.00 0.00 H new ATOM 0 HE2 LYS A 28 2.714 2.883 -12.265 1.00 0.00 H new ATOM 0 HE3 LYS A 28 1.786 4.323 -11.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 4.195 4.673 -11.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 3.430 4.988 -10.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 4.300 3.545 -10.508 1.00 0.00 H new ATOM 420 N ILE A 29 0.656 -0.462 -6.436 1.00 0.00 N ATOM 421 CA ILE A 29 -0.296 -1.278 -5.712 1.00 0.00 C ATOM 422 C ILE A 29 -1.719 -0.874 -6.068 1.00 0.00 C ATOM 423 O ILE A 29 -2.130 0.260 -5.819 1.00 0.00 O ATOM 424 CB ILE A 29 -0.092 -1.124 -4.192 1.00 0.00 C ATOM 425 CG1 ILE A 29 1.366 -1.411 -3.822 1.00 0.00 C ATOM 426 CG2 ILE A 29 -1.025 -2.055 -3.433 1.00 0.00 C ATOM 427 CD1 ILE A 29 1.714 -1.063 -2.391 1.00 0.00 C ATOM 0 H ILE A 29 0.532 0.542 -6.302 1.00 0.00 H new ATOM 0 HA ILE A 29 -0.133 -2.318 -5.994 1.00 0.00 H new ATOM 0 HB ILE A 29 -0.328 -0.097 -3.912 1.00 0.00 H new ATOM 0 HG12 ILE A 29 1.572 -2.468 -3.989 1.00 0.00 H new ATOM 0 HG13 ILE A 29 2.018 -0.850 -4.491 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -0.868 -1.933 -2.361 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -2.059 -1.813 -3.678 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -0.818 -3.087 -3.715 1.00 0.00 H new ATOM 0 HD11 ILE A 29 2.763 -1.294 -2.205 1.00 0.00 H new ATOM 0 HD12 ILE A 29 1.542 0.000 -2.223 1.00 0.00 H new ATOM 0 HD13 ILE A 29 1.089 -1.644 -1.713 1.00 0.00 H new ATOM 439 N HIS A 30 -2.466 -1.790 -6.669 1.00 0.00 N ATOM 440 CA HIS A 30 -3.873 -1.547 -6.935 1.00 0.00 C ATOM 441 C HIS A 30 -4.639 -1.694 -5.641 1.00 0.00 C ATOM 442 O HIS A 30 -4.505 -2.701 -4.940 1.00 0.00 O ATOM 443 CB HIS A 30 -4.436 -2.509 -7.983 1.00 0.00 C ATOM 444 CG HIS A 30 -3.825 -2.357 -9.343 1.00 0.00 C ATOM 445 ND1 HIS A 30 -4.477 -1.753 -10.398 1.00 0.00 N ATOM 446 CD2 HIS A 30 -2.618 -2.741 -9.823 1.00 0.00 C ATOM 447 CE1 HIS A 30 -3.700 -1.773 -11.461 1.00 0.00 C ATOM 448 NE2 HIS A 30 -2.569 -2.366 -11.141 1.00 0.00 N ATOM 0 H HIS A 30 -2.123 -2.700 -6.978 1.00 0.00 H new ATOM 0 HA HIS A 30 -3.979 -0.539 -7.335 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -4.284 -3.532 -7.640 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -5.512 -2.356 -8.061 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -1.840 -3.248 -9.271 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -3.949 -1.371 -12.432 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -1.783 -2.521 -11.772 1.00 0.00 H new ATOM 457 N LEU A 31 -5.428 -0.694 -5.327 1.00 0.00 N ATOM 458 CA LEU A 31 -6.090 -0.627 -4.041 1.00 0.00 C ATOM 459 C LEU A 31 -7.585 -0.432 -4.199 1.00 0.00 C ATOM 460 O LEU A 31 -8.044 0.360 -5.025 1.00 0.00 O ATOM 461 CB LEU A 31 -5.486 0.499 -3.204 1.00 0.00 C ATOM 462 CG LEU A 31 -4.016 0.289 -2.831 1.00 0.00 C ATOM 463 CD1 LEU A 31 -3.400 1.552 -2.266 1.00 0.00 C ATOM 464 CD2 LEU A 31 -3.889 -0.835 -1.825 1.00 0.00 C ATOM 0 H LEU A 31 -5.630 0.090 -5.947 1.00 0.00 H new ATOM 0 HA LEU A 31 -5.935 -1.575 -3.527 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.579 1.435 -3.755 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -6.069 0.608 -2.289 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.477 0.027 -3.742 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.356 1.366 -2.012 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.457 2.348 -3.008 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.943 1.852 -1.370 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.839 -0.976 -1.567 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.453 -0.585 -0.927 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.283 -1.755 -2.256 1.00 0.00 H new ATOM 476 N HIS A 32 -8.331 -1.169 -3.402 1.00 0.00 N ATOM 477 CA HIS A 32 -9.780 -1.133 -3.439 1.00 0.00 C ATOM 478 C HIS A 32 -10.294 -0.298 -2.273 1.00 0.00 C ATOM 479 O HIS A 32 -10.294 -0.746 -1.127 1.00 0.00 O ATOM 480 CB HIS A 32 -10.330 -2.569 -3.399 1.00 0.00 C ATOM 481 CG HIS A 32 -11.825 -2.672 -3.408 1.00 0.00 C ATOM 482 ND1 HIS A 32 -12.505 -3.692 -2.783 1.00 0.00 N ATOM 483 CD2 HIS A 32 -12.768 -1.900 -3.997 1.00 0.00 C ATOM 484 CE1 HIS A 32 -13.798 -3.544 -2.987 1.00 0.00 C ATOM 485 NE2 HIS A 32 -13.986 -2.465 -3.721 1.00 0.00 N ATOM 0 H HIS A 32 -7.949 -1.812 -2.708 1.00 0.00 H new ATOM 0 HA HIS A 32 -10.124 -0.669 -4.363 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -9.937 -3.117 -4.256 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -9.952 -3.063 -2.504 1.00 0.00 H new ATOM 0 HD1 HIS A 32 -12.075 -4.445 -2.246 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -12.593 -1.006 -4.576 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -14.574 -4.197 -2.615 1.00 0.00 H new ATOM 494 N LYS A 33 -10.692 0.931 -2.580 1.00 0.00 N ATOM 495 CA LYS A 33 -11.139 1.886 -1.580 1.00 0.00 C ATOM 496 C LYS A 33 -12.418 1.439 -0.896 1.00 0.00 C ATOM 497 O LYS A 33 -13.147 0.580 -1.396 1.00 0.00 O ATOM 498 CB LYS A 33 -11.378 3.230 -2.252 1.00 0.00 C ATOM 499 CG LYS A 33 -10.186 3.709 -3.053 1.00 0.00 C ATOM 500 CD LYS A 33 -9.022 4.084 -2.157 1.00 0.00 C ATOM 501 CE LYS A 33 -9.238 5.439 -1.516 1.00 0.00 C ATOM 502 NZ LYS A 33 -10.274 5.432 -0.453 1.00 0.00 N ATOM 0 H LYS A 33 -10.713 1.292 -3.534 1.00 0.00 H new ATOM 0 HA LYS A 33 -10.363 1.963 -0.819 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -12.244 3.153 -2.910 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -11.620 3.973 -1.492 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -9.875 2.927 -3.745 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -10.475 4.571 -3.655 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -8.898 3.328 -1.382 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -8.101 4.097 -2.740 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -8.296 5.786 -1.092 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -9.524 6.155 -2.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -9.979 6.058 0.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -11.176 5.768 -0.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -10.393 4.464 -0.091 1.00 0.00 H new ATOM 516 N ALA A 34 -12.696 2.076 0.233 1.00 0.00 N ATOM 517 CA ALA A 34 -13.878 1.777 1.031 1.00 0.00 C ATOM 518 C ALA A 34 -15.150 2.244 0.326 1.00 0.00 C ATOM 519 O ALA A 34 -16.263 1.885 0.716 1.00 0.00 O ATOM 520 CB ALA A 34 -13.757 2.429 2.400 1.00 0.00 C ATOM 0 H ALA A 34 -12.109 2.814 0.622 1.00 0.00 H new ATOM 0 HA ALA A 34 -13.945 0.696 1.157 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -14.644 2.201 2.991 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -12.873 2.045 2.909 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -13.667 3.509 2.282 1.00 0.00 H new ATOM 526 N ASN A 35 -14.974 3.063 -0.707 1.00 0.00 N ATOM 527 CA ASN A 35 -16.090 3.536 -1.522 1.00 0.00 C ATOM 528 C ASN A 35 -16.387 2.553 -2.645 1.00 0.00 C ATOM 529 O ASN A 35 -17.393 2.672 -3.344 1.00 0.00 O ATOM 530 CB ASN A 35 -15.790 4.914 -2.122 1.00 0.00 C ATOM 531 CG ASN A 35 -15.838 6.035 -1.099 1.00 0.00 C ATOM 532 OD1 ASN A 35 -15.553 5.833 0.081 1.00 0.00 O ATOM 533 ND2 ASN A 35 -16.197 7.225 -1.546 1.00 0.00 N ATOM 0 H ASN A 35 -14.063 3.415 -1.001 1.00 0.00 H new ATOM 0 HA ASN A 35 -16.961 3.617 -0.871 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -14.803 4.895 -2.584 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -16.509 5.123 -2.914 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -16.246 8.017 -0.905 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -16.426 7.352 -2.532 1.00 0.00 H new ATOM 540 N GLY A 36 -15.493 1.593 -2.831 1.00 0.00 N ATOM 541 CA GLY A 36 -15.678 0.604 -3.868 1.00 0.00 C ATOM 542 C GLY A 36 -14.824 0.893 -5.083 1.00 0.00 C ATOM 543 O GLY A 36 -14.577 0.011 -5.904 1.00 0.00 O ATOM 0 H GLY A 36 -14.642 1.483 -2.280 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -15.430 -0.383 -3.477 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -16.728 0.577 -4.160 1.00 0.00 H new ATOM 547 N VAL A 37 -14.364 2.131 -5.183 1.00 0.00 N ATOM 548 CA VAL A 37 -13.546 2.562 -6.306 1.00 0.00 C ATOM 549 C VAL A 37 -12.135 1.967 -6.213 1.00 0.00 C ATOM 550 O VAL A 37 -11.621 1.723 -5.120 1.00 0.00 O ATOM 551 CB VAL A 37 -13.494 4.105 -6.384 1.00 0.00 C ATOM 552 CG1 VAL A 37 -12.849 4.687 -5.147 1.00 0.00 C ATOM 553 CG2 VAL A 37 -12.778 4.572 -7.643 1.00 0.00 C ATOM 0 H VAL A 37 -14.546 2.860 -4.493 1.00 0.00 H new ATOM 0 HA VAL A 37 -14.005 2.194 -7.224 1.00 0.00 H new ATOM 0 HB VAL A 37 -14.520 4.469 -6.433 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -12.824 5.774 -5.227 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -13.425 4.400 -4.267 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -11.832 4.307 -5.054 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -12.759 5.662 -7.668 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -11.757 4.191 -7.643 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -13.305 4.199 -8.521 1.00 0.00 H new ATOM 563 N LYS A 38 -11.532 1.706 -7.364 1.00 0.00 N ATOM 564 CA LYS A 38 -10.220 1.082 -7.419 1.00 0.00 C ATOM 565 C LYS A 38 -9.177 2.070 -7.926 1.00 0.00 C ATOM 566 O LYS A 38 -9.397 2.765 -8.921 1.00 0.00 O ATOM 567 CB LYS A 38 -10.276 -0.145 -8.330 1.00 0.00 C ATOM 568 CG LYS A 38 -9.025 -1.009 -8.312 1.00 0.00 C ATOM 569 CD LYS A 38 -9.247 -2.287 -9.107 1.00 0.00 C ATOM 570 CE LYS A 38 -8.019 -3.179 -9.102 1.00 0.00 C ATOM 571 NZ LYS A 38 -8.286 -4.489 -9.750 1.00 0.00 N ATOM 0 H LYS A 38 -11.934 1.919 -8.277 1.00 0.00 H new ATOM 0 HA LYS A 38 -9.933 0.771 -6.414 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -11.129 -0.758 -8.038 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -10.457 0.187 -9.352 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -8.187 -0.454 -8.732 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -8.761 -1.255 -7.284 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -10.093 -2.832 -8.689 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -9.508 -2.034 -10.135 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -7.203 -2.677 -9.621 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -7.692 -3.341 -8.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -7.424 -5.070 -9.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -9.048 -4.980 -9.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -8.574 -4.336 -10.738 1.00 0.00 H new ATOM 585 N ILE A 39 -8.049 2.135 -7.235 1.00 0.00 N ATOM 586 CA ILE A 39 -6.961 3.023 -7.622 1.00 0.00 C ATOM 587 C ILE A 39 -5.656 2.246 -7.743 1.00 0.00 C ATOM 588 O ILE A 39 -5.607 1.053 -7.438 1.00 0.00 O ATOM 589 CB ILE A 39 -6.763 4.184 -6.613 1.00 0.00 C ATOM 590 CG1 ILE A 39 -6.296 3.658 -5.246 1.00 0.00 C ATOM 591 CG2 ILE A 39 -8.049 4.989 -6.469 1.00 0.00 C ATOM 592 CD1 ILE A 39 -6.106 4.746 -4.207 1.00 0.00 C ATOM 0 H ILE A 39 -7.862 1.581 -6.399 1.00 0.00 H new ATOM 0 HA ILE A 39 -7.235 3.451 -8.587 1.00 0.00 H new ATOM 0 HB ILE A 39 -5.984 4.840 -7.002 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -7.025 2.937 -4.875 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -5.355 3.122 -5.375 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -7.893 5.800 -5.757 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -8.328 5.405 -7.437 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -8.847 4.339 -6.109 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -5.776 4.300 -3.269 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -5.355 5.455 -4.556 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -7.050 5.267 -4.049 1.00 0.00 H new ATOM 604 N ALA A 40 -4.611 2.923 -8.196 1.00 0.00 N ATOM 605 CA ALA A 40 -3.291 2.327 -8.298 1.00 0.00 C ATOM 606 C ALA A 40 -2.246 3.275 -7.733 1.00 0.00 C ATOM 607 O ALA A 40 -1.865 4.264 -8.371 1.00 0.00 O ATOM 608 CB ALA A 40 -2.971 1.970 -9.745 1.00 0.00 C ATOM 0 H ALA A 40 -4.655 3.895 -8.501 1.00 0.00 H new ATOM 0 HA ALA A 40 -3.278 1.407 -7.714 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -1.977 1.525 -9.799 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -3.708 1.258 -10.116 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -2.998 2.872 -10.357 1.00 0.00 H new ATOM 614 N VAL A 41 -1.795 2.972 -6.531 1.00 0.00 N ATOM 615 CA VAL A 41 -0.802 3.780 -5.847 1.00 0.00 C ATOM 616 C VAL A 41 0.534 3.056 -5.846 1.00 0.00 C ATOM 617 O VAL A 41 0.643 1.954 -5.317 1.00 0.00 O ATOM 618 CB VAL A 41 -1.235 4.081 -4.395 1.00 0.00 C ATOM 619 CG1 VAL A 41 -0.129 4.779 -3.626 1.00 0.00 C ATOM 620 CG2 VAL A 41 -2.496 4.926 -4.379 1.00 0.00 C ATOM 0 H VAL A 41 -2.106 2.158 -6.000 1.00 0.00 H new ATOM 0 HA VAL A 41 -0.706 4.727 -6.377 1.00 0.00 H new ATOM 0 HB VAL A 41 -1.442 3.129 -3.906 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -0.463 4.978 -2.608 1.00 0.00 H new ATOM 0 HG12 VAL A 41 0.754 4.141 -3.600 1.00 0.00 H new ATOM 0 HG13 VAL A 41 0.118 5.720 -4.117 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -2.786 5.128 -3.348 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.309 5.868 -4.894 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.300 4.390 -4.883 1.00 0.00 H new ATOM 630 N ALA A 42 1.537 3.665 -6.463 1.00 0.00 N ATOM 631 CA ALA A 42 2.856 3.069 -6.553 1.00 0.00 C ATOM 632 C ALA A 42 3.405 2.781 -5.159 1.00 0.00 C ATOM 633 O ALA A 42 3.251 3.589 -4.244 1.00 0.00 O ATOM 634 CB ALA A 42 3.794 3.981 -7.328 1.00 0.00 C ATOM 0 H ALA A 42 1.458 4.578 -6.911 1.00 0.00 H new ATOM 0 HA ALA A 42 2.779 2.123 -7.089 1.00 0.00 H new ATOM 0 HB1 ALA A 42 4.781 3.522 -7.388 1.00 0.00 H new ATOM 0 HB2 ALA A 42 3.403 4.135 -8.334 1.00 0.00 H new ATOM 0 HB3 ALA A 42 3.871 4.941 -6.818 1.00 0.00 H new ATOM 640 N ALA A 43 4.047 1.631 -5.008 1.00 0.00 N ATOM 641 CA ALA A 43 4.510 1.171 -3.702 1.00 0.00 C ATOM 642 C ALA A 43 5.727 1.947 -3.233 1.00 0.00 C ATOM 643 O ALA A 43 6.144 1.828 -2.083 1.00 0.00 O ATOM 644 CB ALA A 43 4.838 -0.313 -3.761 1.00 0.00 C ATOM 0 H ALA A 43 4.261 0.995 -5.776 1.00 0.00 H new ATOM 0 HA ALA A 43 3.706 1.342 -2.986 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.183 -0.649 -2.783 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.946 -0.872 -4.043 1.00 0.00 H new ATOM 0 HB3 ALA A 43 5.621 -0.483 -4.500 1.00 0.00 H new ATOM 650 N ASP A 44 6.282 2.751 -4.122 1.00 0.00 N ATOM 651 CA ASP A 44 7.543 3.422 -3.848 1.00 0.00 C ATOM 652 C ASP A 44 7.348 4.708 -3.062 1.00 0.00 C ATOM 653 O ASP A 44 8.216 5.084 -2.280 1.00 0.00 O ATOM 654 CB ASP A 44 8.320 3.706 -5.134 1.00 0.00 C ATOM 655 CG ASP A 44 7.676 4.751 -6.023 1.00 0.00 C ATOM 656 OD1 ASP A 44 6.434 4.780 -6.123 1.00 0.00 O ATOM 657 OD2 ASP A 44 8.419 5.548 -6.636 1.00 0.00 O ATOM 0 H ASP A 44 5.882 2.956 -5.038 1.00 0.00 H new ATOM 0 HA ASP A 44 8.128 2.737 -3.233 1.00 0.00 H new ATOM 0 HB2 ASP A 44 9.326 4.035 -4.874 1.00 0.00 H new ATOM 0 HB3 ASP A 44 8.423 2.778 -5.697 1.00 0.00 H new ATOM 662 N LYS A 45 6.227 5.397 -3.249 1.00 0.00 N ATOM 663 CA LYS A 45 5.976 6.581 -2.439 1.00 0.00 C ATOM 664 C LYS A 45 5.041 6.249 -1.297 1.00 0.00 C ATOM 665 O LYS A 45 4.317 7.106 -0.815 1.00 0.00 O ATOM 666 CB LYS A 45 5.408 7.764 -3.238 1.00 0.00 C ATOM 667 CG LYS A 45 3.965 7.604 -3.693 1.00 0.00 C ATOM 668 CD LYS A 45 3.801 6.672 -4.872 1.00 0.00 C ATOM 669 CE LYS A 45 2.358 6.673 -5.341 1.00 0.00 C ATOM 670 NZ LYS A 45 1.914 8.030 -5.759 1.00 0.00 N ATOM 0 H LYS A 45 5.502 5.167 -3.929 1.00 0.00 H new ATOM 0 HA LYS A 45 6.947 6.894 -2.056 1.00 0.00 H new ATOM 0 HB2 LYS A 45 5.482 8.664 -2.627 1.00 0.00 H new ATOM 0 HB3 LYS A 45 6.034 7.923 -4.116 1.00 0.00 H new ATOM 0 HG2 LYS A 45 3.370 7.230 -2.860 1.00 0.00 H new ATOM 0 HG3 LYS A 45 3.565 8.583 -3.957 1.00 0.00 H new ATOM 0 HD2 LYS A 45 4.456 6.984 -5.686 1.00 0.00 H new ATOM 0 HD3 LYS A 45 4.100 5.662 -4.591 1.00 0.00 H new ATOM 0 HE2 LYS A 45 2.247 5.981 -6.176 1.00 0.00 H new ATOM 0 HE3 LYS A 45 1.715 6.311 -4.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 1.336 7.956 -6.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 1.349 8.460 -4.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 2.746 8.624 -5.950 1.00 0.00 H new ATOM 684 N LEU A 46 5.043 5.009 -0.858 1.00 0.00 N ATOM 685 CA LEU A 46 4.213 4.648 0.271 1.00 0.00 C ATOM 686 C LEU A 46 5.003 4.529 1.542 1.00 0.00 C ATOM 687 O LEU A 46 6.233 4.433 1.548 1.00 0.00 O ATOM 688 CB LEU A 46 3.457 3.353 0.035 1.00 0.00 C ATOM 689 CG LEU A 46 2.137 3.512 -0.696 1.00 0.00 C ATOM 690 CD1 LEU A 46 1.464 2.163 -0.839 1.00 0.00 C ATOM 691 CD2 LEU A 46 1.220 4.499 0.017 1.00 0.00 C ATOM 0 H LEU A 46 5.596 4.249 -1.254 1.00 0.00 H new ATOM 0 HA LEU A 46 3.496 5.462 0.377 1.00 0.00 H new ATOM 0 HB2 LEU A 46 4.093 2.676 -0.535 1.00 0.00 H new ATOM 0 HB3 LEU A 46 3.268 2.878 0.998 1.00 0.00 H new ATOM 0 HG LEU A 46 2.341 3.916 -1.688 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.517 2.283 -1.365 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.110 1.492 -1.405 1.00 0.00 H new ATOM 0 HD13 LEU A 46 1.280 1.742 0.149 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.284 4.589 -0.534 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.015 4.141 1.026 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.705 5.474 0.069 1.00 0.00 H new ATOM 703 N SER A 47 4.257 4.542 2.614 1.00 0.00 N ATOM 704 CA SER A 47 4.803 4.376 3.944 1.00 0.00 C ATOM 705 C SER A 47 5.261 2.938 4.146 1.00 0.00 C ATOM 706 O SER A 47 4.574 1.980 3.777 1.00 0.00 O ATOM 707 CB SER A 47 3.755 4.763 4.990 1.00 0.00 C ATOM 708 OG SER A 47 4.202 4.484 6.306 1.00 0.00 O ATOM 0 H SER A 47 3.245 4.669 2.594 1.00 0.00 H new ATOM 0 HA SER A 47 5.667 5.031 4.061 1.00 0.00 H new ATOM 0 HB2 SER A 47 3.526 5.825 4.901 1.00 0.00 H new ATOM 0 HB3 SER A 47 2.830 4.220 4.797 1.00 0.00 H new ATOM 0 HG SER A 47 3.510 4.745 6.949 1.00 0.00 H new ATOM 714 N ASN A 48 6.449 2.822 4.735 1.00 0.00 N ATOM 715 CA ASN A 48 7.095 1.542 5.017 1.00 0.00 C ATOM 716 C ASN A 48 6.131 0.589 5.689 1.00 0.00 C ATOM 717 O ASN A 48 6.141 -0.606 5.421 1.00 0.00 O ATOM 718 CB ASN A 48 8.260 1.750 5.973 1.00 0.00 C ATOM 719 CG ASN A 48 9.336 2.691 5.459 1.00 0.00 C ATOM 720 OD1 ASN A 48 9.101 3.522 4.582 1.00 0.00 O ATOM 721 ND2 ASN A 48 10.519 2.589 6.036 1.00 0.00 N ATOM 0 H ASN A 48 6.999 3.627 5.035 1.00 0.00 H new ATOM 0 HA ASN A 48 7.434 1.129 4.067 1.00 0.00 H new ATOM 0 HB2 ASN A 48 7.875 2.139 6.916 1.00 0.00 H new ATOM 0 HB3 ASN A 48 8.714 0.783 6.189 1.00 0.00 H new ATOM 0 HD21 ASN A 48 11.277 3.212 5.758 1.00 0.00 H new ATOM 0 HD22 ASN A 48 10.675 1.887 6.759 1.00 0.00 H new ATOM 728 N GLU A 49 5.318 1.141 6.580 1.00 0.00 N ATOM 729 CA GLU A 49 4.337 0.399 7.317 1.00 0.00 C ATOM 730 C GLU A 49 3.381 -0.304 6.373 1.00 0.00 C ATOM 731 O GLU A 49 3.105 -1.500 6.511 1.00 0.00 O ATOM 732 CB GLU A 49 3.588 1.387 8.189 1.00 0.00 C ATOM 733 CG GLU A 49 4.498 2.232 9.064 1.00 0.00 C ATOM 734 CD GLU A 49 5.166 1.420 10.149 1.00 0.00 C ATOM 735 OE1 GLU A 49 6.082 0.635 9.836 1.00 0.00 O ATOM 736 OE2 GLU A 49 4.767 1.562 11.324 1.00 0.00 O ATOM 0 H GLU A 49 5.332 2.136 6.806 1.00 0.00 H new ATOM 0 HA GLU A 49 4.815 -0.368 7.927 1.00 0.00 H new ATOM 0 HB2 GLU A 49 2.995 2.044 7.553 1.00 0.00 H new ATOM 0 HB3 GLU A 49 2.889 0.843 8.824 1.00 0.00 H new ATOM 0 HG2 GLU A 49 5.261 2.702 8.443 1.00 0.00 H new ATOM 0 HG3 GLU A 49 3.918 3.035 9.519 1.00 0.00 H new ATOM 743 N ASP A 50 2.904 0.445 5.393 1.00 0.00 N ATOM 744 CA ASP A 50 1.976 -0.049 4.438 1.00 0.00 C ATOM 745 C ASP A 50 2.635 -1.095 3.558 1.00 0.00 C ATOM 746 O ASP A 50 2.002 -2.093 3.193 1.00 0.00 O ATOM 747 CB ASP A 50 1.462 1.127 3.629 1.00 0.00 C ATOM 748 CG ASP A 50 0.579 2.043 4.456 1.00 0.00 C ATOM 749 OD1 ASP A 50 -0.491 1.590 4.910 1.00 0.00 O ATOM 750 OD2 ASP A 50 0.968 3.211 4.681 1.00 0.00 O ATOM 0 H ASP A 50 3.164 1.421 5.252 1.00 0.00 H new ATOM 0 HA ASP A 50 1.135 -0.536 4.933 1.00 0.00 H new ATOM 0 HB2 ASP A 50 2.306 1.694 3.237 1.00 0.00 H new ATOM 0 HB3 ASP A 50 0.900 0.759 2.771 1.00 0.00 H new ATOM 755 N LEU A 51 3.929 -0.916 3.255 1.00 0.00 N ATOM 756 CA LEU A 51 4.624 -1.919 2.476 1.00 0.00 C ATOM 757 C LEU A 51 4.831 -3.162 3.320 1.00 0.00 C ATOM 758 O LEU A 51 4.603 -4.260 2.852 1.00 0.00 O ATOM 759 CB LEU A 51 5.965 -1.415 1.929 1.00 0.00 C ATOM 760 CG LEU A 51 5.888 -0.359 0.815 1.00 0.00 C ATOM 761 CD1 LEU A 51 4.530 -0.382 0.123 1.00 0.00 C ATOM 762 CD2 LEU A 51 6.196 1.023 1.359 1.00 0.00 C ATOM 0 H LEU A 51 4.490 -0.110 3.532 1.00 0.00 H new ATOM 0 HA LEU A 51 4.003 -2.155 1.612 1.00 0.00 H new ATOM 0 HB2 LEU A 51 6.538 -0.999 2.757 1.00 0.00 H new ATOM 0 HB3 LEU A 51 6.525 -2.271 1.552 1.00 0.00 H new ATOM 0 HG LEU A 51 6.643 -0.607 0.069 1.00 0.00 H new ATOM 0 HD11 LEU A 51 4.508 0.376 -0.660 1.00 0.00 H new ATOM 0 HD12 LEU A 51 4.363 -1.364 -0.319 1.00 0.00 H new ATOM 0 HD13 LEU A 51 3.747 -0.174 0.852 1.00 0.00 H new ATOM 0 HD21 LEU A 51 6.135 1.753 0.552 1.00 0.00 H new ATOM 0 HD22 LEU A 51 5.474 1.278 2.134 1.00 0.00 H new ATOM 0 HD23 LEU A 51 7.201 1.032 1.782 1.00 0.00 H new ATOM 774 N ALA A 52 5.197 -2.975 4.585 1.00 0.00 N ATOM 775 CA ALA A 52 5.444 -4.096 5.489 1.00 0.00 C ATOM 776 C ALA A 52 4.183 -4.932 5.643 1.00 0.00 C ATOM 777 O ALA A 52 4.236 -6.139 5.876 1.00 0.00 O ATOM 778 CB ALA A 52 5.919 -3.593 6.843 1.00 0.00 C ATOM 0 H ALA A 52 5.329 -2.057 5.008 1.00 0.00 H new ATOM 0 HA ALA A 52 6.228 -4.722 5.063 1.00 0.00 H new ATOM 0 HB1 ALA A 52 6.098 -4.441 7.504 1.00 0.00 H new ATOM 0 HB2 ALA A 52 6.843 -3.029 6.718 1.00 0.00 H new ATOM 0 HB3 ALA A 52 5.157 -2.948 7.279 1.00 0.00 H new ATOM 784 N TYR A 53 3.050 -4.269 5.509 1.00 0.00 N ATOM 785 CA TYR A 53 1.766 -4.939 5.525 1.00 0.00 C ATOM 786 C TYR A 53 1.556 -5.749 4.244 1.00 0.00 C ATOM 787 O TYR A 53 1.289 -6.955 4.290 1.00 0.00 O ATOM 788 CB TYR A 53 0.679 -3.874 5.680 1.00 0.00 C ATOM 789 CG TYR A 53 -0.731 -4.349 5.404 1.00 0.00 C ATOM 790 CD1 TYR A 53 -1.425 -5.135 6.316 1.00 0.00 C ATOM 791 CD2 TYR A 53 -1.372 -3.987 4.229 1.00 0.00 C ATOM 792 CE1 TYR A 53 -2.722 -5.543 6.060 1.00 0.00 C ATOM 793 CE2 TYR A 53 -2.662 -4.394 3.962 1.00 0.00 C ATOM 794 CZ TYR A 53 -3.336 -5.173 4.882 1.00 0.00 C ATOM 795 OH TYR A 53 -4.637 -5.560 4.635 1.00 0.00 O ATOM 0 H TYR A 53 2.995 -3.258 5.387 1.00 0.00 H new ATOM 0 HA TYR A 53 1.723 -5.641 6.358 1.00 0.00 H new ATOM 0 HB2 TYR A 53 0.721 -3.480 6.696 1.00 0.00 H new ATOM 0 HB3 TYR A 53 0.905 -3.046 5.008 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -0.945 -5.431 7.237 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -0.851 -3.374 3.509 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -3.252 -6.149 6.780 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -3.143 -4.105 3.039 1.00 0.00 H new ATOM 0 HH TYR A 53 -5.002 -5.028 3.898 1.00 0.00 H new ATOM 805 N VAL A 54 1.743 -5.111 3.098 1.00 0.00 N ATOM 806 CA VAL A 54 1.512 -5.782 1.827 1.00 0.00 C ATOM 807 C VAL A 54 2.589 -6.833 1.540 1.00 0.00 C ATOM 808 O VAL A 54 2.326 -7.825 0.855 1.00 0.00 O ATOM 809 CB VAL A 54 1.366 -4.768 0.675 1.00 0.00 C ATOM 810 CG1 VAL A 54 2.491 -3.777 0.686 1.00 0.00 C ATOM 811 CG2 VAL A 54 1.254 -5.457 -0.676 1.00 0.00 C ATOM 0 H VAL A 54 2.050 -4.141 3.021 1.00 0.00 H new ATOM 0 HA VAL A 54 0.565 -6.316 1.903 1.00 0.00 H new ATOM 0 HB VAL A 54 0.435 -4.225 0.837 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.364 -3.073 -0.137 1.00 0.00 H new ATOM 0 HG12 VAL A 54 2.489 -3.234 1.631 1.00 0.00 H new ATOM 0 HG13 VAL A 54 3.439 -4.302 0.571 1.00 0.00 H new ATOM 0 HG21 VAL A 54 1.153 -4.706 -1.460 1.00 0.00 H new ATOM 0 HG22 VAL A 54 2.149 -6.052 -0.856 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.379 -6.107 -0.681 1.00 0.00 H new ATOM 821 N GLU A 55 3.791 -6.629 2.081 1.00 0.00 N ATOM 822 CA GLU A 55 4.817 -7.674 2.089 1.00 0.00 C ATOM 823 C GLU A 55 4.238 -8.961 2.662 1.00 0.00 C ATOM 824 O GLU A 55 4.522 -10.057 2.180 1.00 0.00 O ATOM 825 CB GLU A 55 6.032 -7.279 2.943 1.00 0.00 C ATOM 826 CG GLU A 55 6.761 -6.034 2.481 1.00 0.00 C ATOM 827 CD GLU A 55 8.076 -5.817 3.215 1.00 0.00 C ATOM 828 OE1 GLU A 55 8.059 -5.285 4.347 1.00 0.00 O ATOM 829 OE2 GLU A 55 9.132 -6.173 2.657 1.00 0.00 O ATOM 0 H GLU A 55 4.078 -5.753 2.518 1.00 0.00 H new ATOM 0 HA GLU A 55 5.140 -7.814 1.057 1.00 0.00 H new ATOM 0 HB2 GLU A 55 5.701 -7.128 3.971 1.00 0.00 H new ATOM 0 HB3 GLU A 55 6.736 -8.111 2.954 1.00 0.00 H new ATOM 0 HG2 GLU A 55 6.955 -6.108 1.411 1.00 0.00 H new ATOM 0 HG3 GLU A 55 6.119 -5.166 2.630 1.00 0.00 H new ATOM 836 N LYS A 56 3.403 -8.809 3.684 1.00 0.00 N ATOM 837 CA LYS A 56 2.799 -9.929 4.357 1.00 0.00 C ATOM 838 C LYS A 56 1.667 -10.495 3.504 1.00 0.00 C ATOM 839 O LYS A 56 1.521 -11.710 3.372 1.00 0.00 O ATOM 840 CB LYS A 56 2.296 -9.458 5.726 1.00 0.00 C ATOM 841 CG LYS A 56 1.419 -10.451 6.456 1.00 0.00 C ATOM 842 CD LYS A 56 2.198 -11.664 6.952 1.00 0.00 C ATOM 843 CE LYS A 56 2.056 -12.852 6.014 1.00 0.00 C ATOM 844 NZ LYS A 56 0.640 -13.277 5.877 1.00 0.00 N ATOM 0 H LYS A 56 3.132 -7.901 4.062 1.00 0.00 H new ATOM 0 HA LYS A 56 3.526 -10.728 4.506 1.00 0.00 H new ATOM 0 HB2 LYS A 56 3.157 -9.225 6.353 1.00 0.00 H new ATOM 0 HB3 LYS A 56 1.738 -8.531 5.593 1.00 0.00 H new ATOM 0 HG2 LYS A 56 0.944 -9.957 7.304 1.00 0.00 H new ATOM 0 HG3 LYS A 56 0.621 -10.783 5.792 1.00 0.00 H new ATOM 0 HD2 LYS A 56 3.252 -11.403 7.050 1.00 0.00 H new ATOM 0 HD3 LYS A 56 1.844 -11.941 7.945 1.00 0.00 H new ATOM 0 HE2 LYS A 56 2.454 -12.591 5.033 1.00 0.00 H new ATOM 0 HE3 LYS A 56 2.651 -13.685 6.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 0.584 -14.315 5.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 0.080 -12.873 6.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 0.263 -12.941 4.968 1.00 0.00 H new ATOM 858 N ILE A 57 0.887 -9.606 2.901 1.00 0.00 N ATOM 859 CA ILE A 57 -0.233 -10.029 2.061 1.00 0.00 C ATOM 860 C ILE A 57 0.258 -10.851 0.868 1.00 0.00 C ATOM 861 O ILE A 57 -0.388 -11.818 0.460 1.00 0.00 O ATOM 862 CB ILE A 57 -1.043 -8.832 1.509 1.00 0.00 C ATOM 863 CG1 ILE A 57 -1.183 -7.723 2.554 1.00 0.00 C ATOM 864 CG2 ILE A 57 -2.419 -9.292 1.044 1.00 0.00 C ATOM 865 CD1 ILE A 57 -1.831 -8.164 3.846 1.00 0.00 C ATOM 0 H ILE A 57 1.005 -8.596 2.975 1.00 0.00 H new ATOM 0 HA ILE A 57 -0.877 -10.630 2.704 1.00 0.00 H new ATOM 0 HB ILE A 57 -0.497 -8.425 0.658 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -0.194 -7.322 2.776 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -1.769 -6.909 2.127 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -2.977 -8.439 0.658 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -2.307 -10.038 0.257 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -2.959 -9.729 1.884 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -1.891 -7.318 4.530 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -2.834 -8.537 3.641 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -1.235 -8.956 4.300 1.00 0.00 H new ATOM 877 N THR A 58 1.413 -10.478 0.333 1.00 0.00 N ATOM 878 CA THR A 58 1.889 -11.046 -0.925 1.00 0.00 C ATOM 879 C THR A 58 2.962 -12.108 -0.721 1.00 0.00 C ATOM 880 O THR A 58 2.874 -13.210 -1.268 1.00 0.00 O ATOM 881 CB THR A 58 2.468 -9.944 -1.831 1.00 0.00 C ATOM 882 OG1 THR A 58 3.481 -9.214 -1.125 1.00 0.00 O ATOM 883 CG2 THR A 58 1.385 -8.991 -2.289 1.00 0.00 C ATOM 0 H THR A 58 2.038 -9.786 0.748 1.00 0.00 H new ATOM 0 HA THR A 58 1.023 -11.514 -1.392 1.00 0.00 H new ATOM 0 HB THR A 58 2.903 -10.421 -2.709 1.00 0.00 H new ATOM 0 HG1 THR A 58 3.064 -8.497 -0.603 1.00 0.00 H new ATOM 0 HG21 THR A 58 1.822 -8.223 -2.927 1.00 0.00 H new ATOM 0 HG22 THR A 58 0.629 -9.541 -2.849 1.00 0.00 H new ATOM 0 HG23 THR A 58 0.923 -8.521 -1.421 1.00 0.00 H new ATOM 891 N GLY A 59 3.961 -11.782 0.078 1.00 0.00 N ATOM 892 CA GLY A 59 5.079 -12.676 0.264 1.00 0.00 C ATOM 893 C GLY A 59 6.389 -12.046 -0.172 1.00 0.00 C ATOM 894 O GLY A 59 7.429 -12.292 0.439 1.00 0.00 O ATOM 0 H GLY A 59 4.018 -10.910 0.604 1.00 0.00 H new ATOM 0 HA2 GLY A 59 5.145 -12.960 1.314 1.00 0.00 H new ATOM 0 HA3 GLY A 59 4.910 -13.591 -0.304 1.00 0.00 H new ATOM 898 N PHE A 60 6.347 -11.214 -1.213 1.00 0.00 N ATOM 899 CA PHE A 60 7.567 -10.590 -1.713 1.00 0.00 C ATOM 900 C PHE A 60 7.840 -9.286 -0.973 1.00 0.00 C ATOM 901 O PHE A 60 6.921 -8.530 -0.657 1.00 0.00 O ATOM 902 CB PHE A 60 7.532 -10.386 -3.242 1.00 0.00 C ATOM 903 CG PHE A 60 6.608 -9.316 -3.769 1.00 0.00 C ATOM 904 CD1 PHE A 60 5.234 -9.495 -3.793 1.00 0.00 C ATOM 905 CD2 PHE A 60 7.131 -8.142 -4.289 1.00 0.00 C ATOM 906 CE1 PHE A 60 4.403 -8.524 -4.318 1.00 0.00 C ATOM 907 CE2 PHE A 60 6.303 -7.166 -4.811 1.00 0.00 C ATOM 908 CZ PHE A 60 4.938 -7.359 -4.825 1.00 0.00 C ATOM 0 H PHE A 60 5.497 -10.961 -1.717 1.00 0.00 H new ATOM 0 HA PHE A 60 8.394 -11.272 -1.515 1.00 0.00 H new ATOM 0 HB2 PHE A 60 8.543 -10.155 -3.576 1.00 0.00 H new ATOM 0 HB3 PHE A 60 7.252 -11.333 -3.704 1.00 0.00 H new ATOM 0 HD1 PHE A 60 4.808 -10.405 -3.396 1.00 0.00 H new ATOM 0 HD2 PHE A 60 8.200 -7.988 -4.286 1.00 0.00 H new ATOM 0 HE1 PHE A 60 3.334 -8.678 -4.331 1.00 0.00 H new ATOM 0 HE2 PHE A 60 6.725 -6.254 -5.207 1.00 0.00 H new ATOM 0 HZ PHE A 60 4.289 -6.598 -5.233 1.00 0.00 H new ATOM 918 N SER A 61 9.112 -9.048 -0.686 1.00 0.00 N ATOM 919 CA SER A 61 9.515 -7.944 0.168 1.00 0.00 C ATOM 920 C SER A 61 9.519 -6.623 -0.594 1.00 0.00 C ATOM 921 O SER A 61 10.011 -6.541 -1.721 1.00 0.00 O ATOM 922 CB SER A 61 10.903 -8.222 0.758 1.00 0.00 C ATOM 923 OG SER A 61 11.304 -7.191 1.645 1.00 0.00 O ATOM 0 H SER A 61 9.887 -9.611 -1.036 1.00 0.00 H new ATOM 0 HA SER A 61 8.790 -7.858 0.977 1.00 0.00 H new ATOM 0 HB2 SER A 61 10.891 -9.175 1.287 1.00 0.00 H new ATOM 0 HB3 SER A 61 11.631 -8.314 -0.048 1.00 0.00 H new ATOM 0 HG SER A 61 10.511 -6.727 1.986 1.00 0.00 H new ATOM 929 N LEU A 62 8.979 -5.589 0.037 1.00 0.00 N ATOM 930 CA LEU A 62 8.937 -4.267 -0.562 1.00 0.00 C ATOM 931 C LEU A 62 9.979 -3.369 0.081 1.00 0.00 C ATOM 932 O LEU A 62 9.867 -2.149 0.037 1.00 0.00 O ATOM 933 CB LEU A 62 7.537 -3.639 -0.450 1.00 0.00 C ATOM 934 CG LEU A 62 6.411 -4.495 -1.036 1.00 0.00 C ATOM 935 CD1 LEU A 62 5.134 -3.691 -1.133 1.00 0.00 C ATOM 936 CD2 LEU A 62 6.800 -5.035 -2.403 1.00 0.00 C ATOM 0 H LEU A 62 8.563 -5.643 0.967 1.00 0.00 H new ATOM 0 HA LEU A 62 9.164 -4.371 -1.623 1.00 0.00 H new ATOM 0 HB2 LEU A 62 7.321 -3.447 0.601 1.00 0.00 H new ATOM 0 HB3 LEU A 62 7.544 -2.673 -0.956 1.00 0.00 H new ATOM 0 HG LEU A 62 6.242 -5.340 -0.369 1.00 0.00 H new ATOM 0 HD11 LEU A 62 4.343 -4.313 -1.551 1.00 0.00 H new ATOM 0 HD12 LEU A 62 4.841 -3.352 -0.139 1.00 0.00 H new ATOM 0 HD13 LEU A 62 5.296 -2.828 -1.778 1.00 0.00 H new ATOM 0 HD21 LEU A 62 5.985 -5.640 -2.800 1.00 0.00 H new ATOM 0 HD22 LEU A 62 6.998 -4.204 -3.080 1.00 0.00 H new ATOM 0 HD23 LEU A 62 7.696 -5.649 -2.310 1.00 0.00 H new ATOM 948 N GLU A 63 10.996 -3.991 0.676 1.00 0.00 N ATOM 949 CA GLU A 63 12.129 -3.289 1.251 1.00 0.00 C ATOM 950 C GLU A 63 12.709 -2.302 0.243 1.00 0.00 C ATOM 951 O GLU A 63 13.081 -1.182 0.585 1.00 0.00 O ATOM 952 CB GLU A 63 13.177 -4.325 1.611 1.00 0.00 C ATOM 953 CG GLU A 63 13.880 -4.086 2.926 1.00 0.00 C ATOM 954 CD GLU A 63 12.951 -4.132 4.122 1.00 0.00 C ATOM 955 OE1 GLU A 63 12.733 -5.235 4.672 1.00 0.00 O ATOM 956 OE2 GLU A 63 12.450 -3.070 4.529 1.00 0.00 O ATOM 0 H GLU A 63 11.052 -5.005 0.770 1.00 0.00 H new ATOM 0 HA GLU A 63 11.816 -2.730 2.133 1.00 0.00 H new ATOM 0 HB2 GLU A 63 12.702 -5.306 1.642 1.00 0.00 H new ATOM 0 HB3 GLU A 63 13.923 -4.357 0.817 1.00 0.00 H new ATOM 0 HG2 GLU A 63 14.661 -4.835 3.053 1.00 0.00 H new ATOM 0 HG3 GLU A 63 14.372 -3.114 2.895 1.00 0.00 H new ATOM 963 N LYS A 64 12.732 -2.736 -1.012 1.00 0.00 N ATOM 964 CA LYS A 64 13.261 -1.944 -2.120 1.00 0.00 C ATOM 965 C LYS A 64 12.394 -0.716 -2.407 1.00 0.00 C ATOM 966 O LYS A 64 12.741 0.114 -3.249 1.00 0.00 O ATOM 967 CB LYS A 64 13.355 -2.826 -3.368 1.00 0.00 C ATOM 968 CG LYS A 64 12.074 -3.594 -3.650 1.00 0.00 C ATOM 969 CD LYS A 64 12.251 -4.596 -4.779 1.00 0.00 C ATOM 970 CE LYS A 64 12.404 -3.905 -6.123 1.00 0.00 C ATOM 971 NZ LYS A 64 12.609 -4.879 -7.227 1.00 0.00 N ATOM 0 H LYS A 64 12.383 -3.652 -1.293 1.00 0.00 H new ATOM 0 HA LYS A 64 14.251 -1.584 -1.841 1.00 0.00 H new ATOM 0 HB2 LYS A 64 13.596 -2.203 -4.229 1.00 0.00 H new ATOM 0 HB3 LYS A 64 14.176 -3.532 -3.246 1.00 0.00 H new ATOM 0 HG2 LYS A 64 11.758 -4.116 -2.747 1.00 0.00 H new ATOM 0 HG3 LYS A 64 11.280 -2.893 -3.908 1.00 0.00 H new ATOM 0 HD2 LYS A 64 13.129 -5.212 -4.584 1.00 0.00 H new ATOM 0 HD3 LYS A 64 11.392 -5.266 -4.810 1.00 0.00 H new ATOM 0 HE2 LYS A 64 11.516 -3.307 -6.327 1.00 0.00 H new ATOM 0 HE3 LYS A 64 13.249 -3.218 -6.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 12.709 -4.368 -8.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 13.470 -5.433 -7.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 11.791 -5.519 -7.282 1.00 0.00 H new ATOM 985 N PHE A 65 11.263 -0.615 -1.722 1.00 0.00 N ATOM 986 CA PHE A 65 10.385 0.543 -1.850 1.00 0.00 C ATOM 987 C PHE A 65 10.307 1.291 -0.523 1.00 0.00 C ATOM 988 O PHE A 65 9.830 2.423 -0.456 1.00 0.00 O ATOM 989 CB PHE A 65 8.978 0.110 -2.272 1.00 0.00 C ATOM 990 CG PHE A 65 8.909 -0.566 -3.615 1.00 0.00 C ATOM 991 CD1 PHE A 65 8.961 0.178 -4.782 1.00 0.00 C ATOM 992 CD2 PHE A 65 8.777 -1.943 -3.707 1.00 0.00 C ATOM 993 CE1 PHE A 65 8.887 -0.437 -6.018 1.00 0.00 C ATOM 994 CE2 PHE A 65 8.703 -2.564 -4.942 1.00 0.00 C ATOM 995 CZ PHE A 65 8.757 -1.810 -6.098 1.00 0.00 C ATOM 0 H PHE A 65 10.930 -1.324 -1.069 1.00 0.00 H new ATOM 0 HA PHE A 65 10.798 1.200 -2.615 1.00 0.00 H new ATOM 0 HB2 PHE A 65 8.579 -0.568 -1.517 1.00 0.00 H new ATOM 0 HB3 PHE A 65 8.331 0.987 -2.287 1.00 0.00 H new ATOM 0 HD1 PHE A 65 9.061 1.252 -4.726 1.00 0.00 H new ATOM 0 HD2 PHE A 65 8.731 -2.537 -2.806 1.00 0.00 H new ATOM 0 HE1 PHE A 65 8.931 0.155 -6.920 1.00 0.00 H new ATOM 0 HE2 PHE A 65 8.603 -3.638 -5.002 1.00 0.00 H new ATOM 0 HZ PHE A 65 8.698 -2.293 -7.062 1.00 0.00 H new ATOM 1005 N LYS A 66 10.799 0.657 0.528 1.00 0.00 N ATOM 1006 CA LYS A 66 10.681 1.204 1.872 1.00 0.00 C ATOM 1007 C LYS A 66 11.876 2.087 2.204 1.00 0.00 C ATOM 1008 O LYS A 66 13.014 1.769 1.860 1.00 0.00 O ATOM 1009 CB LYS A 66 10.552 0.068 2.883 1.00 0.00 C ATOM 1010 CG LYS A 66 9.264 -0.721 2.731 1.00 0.00 C ATOM 1011 CD LYS A 66 9.381 -2.121 3.313 1.00 0.00 C ATOM 1012 CE LYS A 66 9.497 -2.115 4.828 1.00 0.00 C ATOM 1013 NZ LYS A 66 9.845 -3.464 5.344 1.00 0.00 N ATOM 0 H LYS A 66 11.285 -0.238 0.478 1.00 0.00 H new ATOM 0 HA LYS A 66 9.785 1.823 1.921 1.00 0.00 H new ATOM 0 HB2 LYS A 66 11.400 -0.608 2.772 1.00 0.00 H new ATOM 0 HB3 LYS A 66 10.602 0.479 3.891 1.00 0.00 H new ATOM 0 HG2 LYS A 66 8.452 -0.189 3.227 1.00 0.00 H new ATOM 0 HG3 LYS A 66 9.003 -0.788 1.675 1.00 0.00 H new ATOM 0 HD2 LYS A 66 8.509 -2.706 3.021 1.00 0.00 H new ATOM 0 HD3 LYS A 66 10.254 -2.616 2.887 1.00 0.00 H new ATOM 0 HE2 LYS A 66 10.258 -1.398 5.135 1.00 0.00 H new ATOM 0 HE3 LYS A 66 8.555 -1.787 5.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 9.486 -3.568 6.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 9.415 -4.190 4.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 10.878 -3.580 5.343 1.00 0.00 H new