USER MOD reduce.3.24.130724 H: found=0, std=0, add=613, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 614 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 52 SER OG : rot 135:sc= 0.319 USER MOD Set 1.2: A 57 HIS :FLIP no HD1:sc= -0.159 F(o=-0.65,f=0.16) USER MOD Set 2.1: A 41 LYS NZ :NH3+ 174:sc= 1.21 (180deg=-0.00423) USER MOD Set 2.2: A 51 TYR OH : rot 100:sc= 0.981 USER MOD Set 3.1: A 8 TYR OH : rot 93:sc= -1.17 USER MOD Set 3.2: A 12 LYS NZ :NH3+ -149:sc= -2.39! (180deg=-4.23!) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= -0.195 X(o=-0.19,f=-0.11) USER MOD Single : A 19 THR OG1 : rot 94:sc= -0.224 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.111 USER MOD Single : A 32 GLN : amide:sc= -0.152 K(o=-0.15,f=-0.7) USER MOD Single : A 38 ASN : amide:sc= 1.19 K(o=1.2,f=-0.22) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 HIS : no HE2:sc= 0.897 K(o=0.9,f=-2.9!) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot -165:sc= 0.974 USER MOD Single : A 68 LYS NZ :NH3+ -172:sc= -0.016 (180deg=-0.127) USER MOD Single : A 71 ASN :FLIP amide:sc= 0 F(o=-0.67,f=0) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ -170:sc= 1.22 (180deg=0.926) USER MOD Single : A 76 ASN : amide:sc= 0.903 K(o=0.9,f=-0.21) USER MOD Single : A 78 THR OG1 : rot 180:sc= -0.137 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.129) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 5 -10.399 0.152 5.253 1.00 0.00 N ATOM 2 CA LYS A 5 -10.975 0.726 4.045 1.00 0.00 C ATOM 3 C LYS A 5 -9.952 1.628 3.364 1.00 0.00 C ATOM 4 O LYS A 5 -10.140 2.065 2.233 1.00 0.00 O ATOM 5 CB LYS A 5 -12.257 1.501 4.366 1.00 0.00 C ATOM 6 CG LYS A 5 -13.388 0.610 4.860 1.00 0.00 C ATOM 7 CD LYS A 5 -14.709 1.362 4.951 1.00 0.00 C ATOM 8 CE LYS A 5 -14.678 2.438 6.025 1.00 0.00 C ATOM 9 NZ LYS A 5 -15.983 3.142 6.137 1.00 0.00 N ATOM 0 HA LYS A 5 -11.239 -0.083 3.364 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -12.039 2.254 5.123 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -12.586 2.033 3.473 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -13.500 -0.240 4.187 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -13.131 0.208 5.840 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -14.934 1.818 3.987 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -15.513 0.658 5.166 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -14.424 1.987 6.984 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -13.894 3.159 5.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -15.923 3.868 6.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -16.213 3.593 5.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -16.727 2.458 6.382 1.00 0.00 H new ATOM 23 N LEU A 6 -8.850 1.879 4.062 1.00 0.00 N ATOM 24 CA LEU A 6 -7.779 2.710 3.533 1.00 0.00 C ATOM 25 C LEU A 6 -6.756 1.861 2.789 1.00 0.00 C ATOM 26 O LEU A 6 -5.877 2.394 2.114 1.00 0.00 O ATOM 27 CB LEU A 6 -7.073 3.481 4.657 1.00 0.00 C ATOM 28 CG LEU A 6 -7.891 4.583 5.348 1.00 0.00 C ATOM 29 CD1 LEU A 6 -8.511 5.519 4.323 1.00 0.00 C ATOM 30 CD2 LEU A 6 -8.960 3.991 6.258 1.00 0.00 C ATOM 0 H LEU A 6 -8.676 1.516 4.999 1.00 0.00 H new ATOM 0 HA LEU A 6 -8.229 3.423 2.842 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -6.755 2.765 5.415 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -6.170 3.932 4.247 1.00 0.00 H new ATOM 0 HG LEU A 6 -7.209 5.162 5.970 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -9.085 6.291 4.836 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -7.723 5.985 3.732 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -9.170 4.953 3.665 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -9.521 4.796 6.732 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -9.638 3.374 5.669 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -8.486 3.379 7.025 1.00 0.00 H new ATOM 42 N ARG A 7 -6.880 0.538 2.908 1.00 0.00 N ATOM 43 CA ARG A 7 -5.891 -0.371 2.330 1.00 0.00 C ATOM 44 C ARG A 7 -5.811 -0.205 0.818 1.00 0.00 C ATOM 45 O ARG A 7 -4.720 -0.122 0.261 1.00 0.00 O ATOM 46 CB ARG A 7 -6.187 -1.836 2.677 1.00 0.00 C ATOM 47 CG ARG A 7 -7.470 -2.386 2.071 1.00 0.00 C ATOM 48 CD ARG A 7 -7.600 -3.880 2.297 1.00 0.00 C ATOM 49 NE ARG A 7 -7.523 -4.236 3.711 1.00 0.00 N ATOM 50 CZ ARG A 7 -7.920 -5.408 4.202 1.00 0.00 C ATOM 51 NH1 ARG A 7 -8.429 -6.333 3.397 1.00 0.00 N ATOM 52 NH2 ARG A 7 -7.807 -5.654 5.497 1.00 0.00 N ATOM 0 H ARG A 7 -7.648 0.076 3.395 1.00 0.00 H new ATOM 0 HA ARG A 7 -4.928 -0.107 2.768 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -5.351 -2.450 2.343 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -6.242 -1.935 3.761 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -8.328 -1.875 2.509 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -7.486 -2.177 1.001 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -8.550 -4.225 1.889 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -6.811 -4.398 1.751 1.00 0.00 H new ATOM 0 HE ARG A 7 -7.143 -3.547 4.360 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -8.517 -6.147 2.398 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -8.732 -7.230 3.778 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -7.416 -4.946 6.118 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -8.111 -6.552 5.874 1.00 0.00 H new ATOM 66 N TYR A 8 -6.967 -0.146 0.161 1.00 0.00 N ATOM 67 CA TYR A 8 -7.009 0.025 -1.283 1.00 0.00 C ATOM 68 C TYR A 8 -6.352 1.342 -1.682 1.00 0.00 C ATOM 69 O TYR A 8 -5.607 1.405 -2.662 1.00 0.00 O ATOM 70 CB TYR A 8 -8.453 -0.019 -1.808 1.00 0.00 C ATOM 71 CG TYR A 8 -8.657 0.888 -2.993 1.00 0.00 C ATOM 72 CD1 TYR A 8 -8.306 0.490 -4.276 1.00 0.00 C ATOM 73 CD2 TYR A 8 -9.142 2.172 -2.811 1.00 0.00 C ATOM 74 CE1 TYR A 8 -8.446 1.353 -5.346 1.00 0.00 C ATOM 75 CE2 TYR A 8 -9.269 3.036 -3.866 1.00 0.00 C ATOM 76 CZ TYR A 8 -8.924 2.629 -5.128 1.00 0.00 C ATOM 77 OH TYR A 8 -9.043 3.512 -6.170 1.00 0.00 O ATOM 0 H TYR A 8 -7.882 -0.214 0.606 1.00 0.00 H new ATOM 0 HA TYR A 8 -6.457 -0.801 -1.731 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -8.705 -1.042 -2.088 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -9.137 0.270 -1.010 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -7.919 -0.505 -4.439 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -9.425 2.498 -1.821 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -8.184 1.032 -6.343 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -9.641 4.037 -3.703 1.00 0.00 H new ATOM 0 HH TYR A 8 -9.946 3.454 -6.546 1.00 0.00 H new ATOM 87 N ALA A 9 -6.644 2.388 -0.920 1.00 0.00 N ATOM 88 CA ALA A 9 -6.124 3.707 -1.211 1.00 0.00 C ATOM 89 C ALA A 9 -4.605 3.678 -1.202 1.00 0.00 C ATOM 90 O ALA A 9 -3.968 4.068 -2.173 1.00 0.00 O ATOM 91 CB ALA A 9 -6.668 4.717 -0.213 1.00 0.00 C ATOM 0 H ALA A 9 -7.241 2.343 -0.094 1.00 0.00 H new ATOM 0 HA ALA A 9 -6.450 4.013 -2.205 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -6.270 5.705 -0.442 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -7.756 4.741 -0.276 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -6.369 4.430 0.795 1.00 0.00 H new ATOM 97 N ILE A 10 -4.037 3.150 -0.128 1.00 0.00 N ATOM 98 CA ILE A 10 -2.592 3.032 -0.013 1.00 0.00 C ATOM 99 C ILE A 10 -2.027 2.182 -1.153 1.00 0.00 C ATOM 100 O ILE A 10 -0.998 2.520 -1.731 1.00 0.00 O ATOM 101 CB ILE A 10 -2.183 2.438 1.352 1.00 0.00 C ATOM 102 CG1 ILE A 10 -2.705 3.333 2.482 1.00 0.00 C ATOM 103 CG2 ILE A 10 -0.670 2.291 1.445 1.00 0.00 C ATOM 104 CD1 ILE A 10 -2.330 2.857 3.869 1.00 0.00 C ATOM 0 H ILE A 10 -4.555 2.797 0.676 1.00 0.00 H new ATOM 0 HA ILE A 10 -2.172 4.035 -0.083 1.00 0.00 H new ATOM 0 HB ILE A 10 -2.624 1.446 1.450 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -2.320 4.343 2.339 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -3.791 3.393 2.411 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -0.404 1.871 2.415 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -0.320 1.628 0.654 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -0.202 3.269 1.333 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -2.737 3.544 4.612 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -2.739 1.860 4.034 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -1.244 2.824 3.961 1.00 0.00 H new ATOM 116 N LEU A 11 -2.724 1.098 -1.492 1.00 0.00 N ATOM 117 CA LEU A 11 -2.318 0.231 -2.600 1.00 0.00 C ATOM 118 C LEU A 11 -2.235 1.018 -3.907 1.00 0.00 C ATOM 119 O LEU A 11 -1.217 0.977 -4.602 1.00 0.00 O ATOM 120 CB LEU A 11 -3.293 -0.944 -2.760 1.00 0.00 C ATOM 121 CG LEU A 11 -3.250 -1.991 -1.647 1.00 0.00 C ATOM 122 CD1 LEU A 11 -4.336 -3.034 -1.855 1.00 0.00 C ATOM 123 CD2 LEU A 11 -1.883 -2.653 -1.596 1.00 0.00 C ATOM 0 H LEU A 11 -3.574 0.798 -1.015 1.00 0.00 H new ATOM 0 HA LEU A 11 -1.329 -0.163 -2.366 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -4.306 -0.547 -2.822 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -3.086 -1.439 -3.709 1.00 0.00 H new ATOM 0 HG LEU A 11 -3.430 -1.491 -0.695 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -4.291 -3.771 -1.054 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -5.312 -2.549 -1.847 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -4.185 -3.530 -2.814 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -1.868 -3.396 -0.799 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -1.679 -3.140 -2.550 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -1.120 -1.899 -1.403 1.00 0.00 H new ATOM 135 N LYS A 12 -3.298 1.745 -4.226 1.00 0.00 N ATOM 136 CA LYS A 12 -3.343 2.526 -5.458 1.00 0.00 C ATOM 137 C LYS A 12 -2.341 3.672 -5.408 1.00 0.00 C ATOM 138 O LYS A 12 -1.652 3.946 -6.388 1.00 0.00 O ATOM 139 CB LYS A 12 -4.751 3.078 -5.701 1.00 0.00 C ATOM 140 CG LYS A 12 -4.884 3.855 -7.008 1.00 0.00 C ATOM 141 CD LYS A 12 -6.282 4.433 -7.204 1.00 0.00 C ATOM 142 CE LYS A 12 -6.509 5.710 -6.396 1.00 0.00 C ATOM 143 NZ LYS A 12 -6.524 5.470 -4.927 1.00 0.00 N ATOM 0 H LYS A 12 -4.138 1.811 -3.652 1.00 0.00 H new ATOM 0 HA LYS A 12 -3.079 1.863 -6.282 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -5.461 2.251 -5.706 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -5.025 3.729 -4.871 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -4.154 4.665 -7.021 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -4.646 3.197 -7.844 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -6.439 4.644 -8.262 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -7.023 3.688 -6.915 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -5.725 6.429 -6.634 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -7.455 6.160 -6.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -7.158 6.156 -4.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -6.862 4.505 -4.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -5.562 5.581 -4.547 1.00 0.00 H new ATOM 157 N GLU A 13 -2.259 4.330 -4.259 1.00 0.00 N ATOM 158 CA GLU A 13 -1.364 5.466 -4.086 1.00 0.00 C ATOM 159 C GLU A 13 0.102 5.035 -4.157 1.00 0.00 C ATOM 160 O GLU A 13 0.961 5.809 -4.579 1.00 0.00 O ATOM 161 CB GLU A 13 -1.674 6.187 -2.768 1.00 0.00 C ATOM 162 CG GLU A 13 -2.740 7.279 -2.892 1.00 0.00 C ATOM 163 CD GLU A 13 -4.012 6.821 -3.588 1.00 0.00 C ATOM 164 OE1 GLU A 13 -4.007 6.711 -4.833 1.00 0.00 O ATOM 165 OE2 GLU A 13 -5.029 6.578 -2.904 1.00 0.00 O ATOM 0 H GLU A 13 -2.804 4.095 -3.430 1.00 0.00 H new ATOM 0 HA GLU A 13 -1.531 6.165 -4.906 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -2.004 5.453 -2.033 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -0.756 6.632 -2.384 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -2.993 7.641 -1.896 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -2.320 8.122 -3.441 1.00 0.00 H new ATOM 172 N ILE A 14 0.384 3.801 -3.759 1.00 0.00 N ATOM 173 CA ILE A 14 1.716 3.233 -3.930 1.00 0.00 C ATOM 174 C ILE A 14 1.955 2.896 -5.399 1.00 0.00 C ATOM 175 O ILE A 14 2.987 3.247 -5.964 1.00 0.00 O ATOM 176 CB ILE A 14 1.921 1.964 -3.065 1.00 0.00 C ATOM 177 CG1 ILE A 14 2.021 2.336 -1.583 1.00 0.00 C ATOM 178 CG2 ILE A 14 3.165 1.198 -3.505 1.00 0.00 C ATOM 179 CD1 ILE A 14 2.188 1.142 -0.666 1.00 0.00 C ATOM 0 H ILE A 14 -0.289 3.175 -3.317 1.00 0.00 H new ATOM 0 HA ILE A 14 2.435 3.982 -3.599 1.00 0.00 H new ATOM 0 HB ILE A 14 1.055 1.316 -3.205 1.00 0.00 H new ATOM 0 HG12 ILE A 14 2.865 3.011 -1.443 1.00 0.00 H new ATOM 0 HG13 ILE A 14 1.124 2.883 -1.293 1.00 0.00 H new ATOM 0 HG21 ILE A 14 3.286 0.312 -2.882 1.00 0.00 H new ATOM 0 HG22 ILE A 14 3.057 0.897 -4.547 1.00 0.00 H new ATOM 0 HG23 ILE A 14 4.042 1.837 -3.401 1.00 0.00 H new ATOM 0 HD11 ILE A 14 2.252 1.483 0.367 1.00 0.00 H new ATOM 0 HD12 ILE A 14 1.332 0.476 -0.776 1.00 0.00 H new ATOM 0 HD13 ILE A 14 3.100 0.607 -0.928 1.00 0.00 H new ATOM 191 N PHE A 15 0.980 2.237 -6.009 1.00 0.00 N ATOM 192 CA PHE A 15 1.079 1.812 -7.402 1.00 0.00 C ATOM 193 C PHE A 15 1.271 3.008 -8.335 1.00 0.00 C ATOM 194 O PHE A 15 2.137 2.993 -9.210 1.00 0.00 O ATOM 195 CB PHE A 15 -0.183 1.035 -7.789 1.00 0.00 C ATOM 196 CG PHE A 15 -0.147 0.435 -9.167 1.00 0.00 C ATOM 197 CD1 PHE A 15 0.623 -0.686 -9.427 1.00 0.00 C ATOM 198 CD2 PHE A 15 -0.891 0.985 -10.199 1.00 0.00 C ATOM 199 CE1 PHE A 15 0.651 -1.249 -10.689 1.00 0.00 C ATOM 200 CE2 PHE A 15 -0.866 0.428 -11.465 1.00 0.00 C ATOM 201 CZ PHE A 15 -0.093 -0.692 -11.710 1.00 0.00 C ATOM 0 H PHE A 15 0.102 1.982 -5.557 1.00 0.00 H new ATOM 0 HA PHE A 15 1.952 1.167 -7.506 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -0.340 0.237 -7.063 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -1.041 1.703 -7.720 1.00 0.00 H new ATOM 0 HD1 PHE A 15 1.209 -1.126 -8.634 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -1.498 1.859 -10.013 1.00 0.00 H new ATOM 0 HE1 PHE A 15 1.255 -2.125 -10.876 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -1.449 0.867 -12.261 1.00 0.00 H new ATOM 0 HZ PHE A 15 -0.071 -1.130 -12.697 1.00 0.00 H new ATOM 211 N GLU A 16 0.460 4.039 -8.135 1.00 0.00 N ATOM 212 CA GLU A 16 0.522 5.246 -8.957 1.00 0.00 C ATOM 213 C GLU A 16 1.684 6.145 -8.543 1.00 0.00 C ATOM 214 O GLU A 16 2.296 6.814 -9.377 1.00 0.00 O ATOM 215 CB GLU A 16 -0.789 6.025 -8.837 1.00 0.00 C ATOM 216 CG GLU A 16 -1.995 5.310 -9.427 1.00 0.00 C ATOM 217 CD GLU A 16 -2.015 5.352 -10.940 1.00 0.00 C ATOM 218 OE1 GLU A 16 -2.447 6.385 -11.501 1.00 0.00 O ATOM 219 OE2 GLU A 16 -1.612 4.361 -11.576 1.00 0.00 O ATOM 0 H GLU A 16 -0.253 4.065 -7.407 1.00 0.00 H new ATOM 0 HA GLU A 16 0.679 4.937 -9.991 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -0.982 6.230 -7.784 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -0.673 6.988 -9.334 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -1.994 4.271 -9.096 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -2.907 5.767 -9.043 1.00 0.00 H new ATOM 226 N GLY A 17 1.987 6.156 -7.250 1.00 0.00 N ATOM 227 CA GLY A 17 3.006 7.049 -6.734 1.00 0.00 C ATOM 228 C GLY A 17 4.411 6.508 -6.902 1.00 0.00 C ATOM 229 O GLY A 17 5.373 7.273 -6.870 1.00 0.00 O ATOM 0 H GLY A 17 1.544 5.561 -6.549 1.00 0.00 H new ATOM 0 HA2 GLY A 17 2.930 8.010 -7.243 1.00 0.00 H new ATOM 0 HA3 GLY A 17 2.818 7.233 -5.676 1.00 0.00 H new ATOM 233 N ASN A 18 4.522 5.186 -7.038 1.00 0.00 N ATOM 234 CA ASN A 18 5.806 4.503 -7.263 1.00 0.00 C ATOM 235 C ASN A 18 6.675 4.523 -5.999 1.00 0.00 C ATOM 236 O ASN A 18 7.783 3.985 -5.990 1.00 0.00 O ATOM 237 CB ASN A 18 6.548 5.130 -8.461 1.00 0.00 C ATOM 238 CG ASN A 18 7.737 4.307 -8.935 1.00 0.00 C ATOM 239 OD1 ASN A 18 7.584 3.370 -9.720 1.00 0.00 O ATOM 240 ND2 ASN A 18 8.934 4.681 -8.510 1.00 0.00 N ATOM 0 H ASN A 18 3.724 4.553 -6.996 1.00 0.00 H new ATOM 0 HA ASN A 18 5.599 3.459 -7.499 1.00 0.00 H new ATOM 0 HB2 ASN A 18 5.848 5.253 -9.288 1.00 0.00 H new ATOM 0 HB3 ASN A 18 6.893 6.126 -8.184 1.00 0.00 H new ATOM 0 HD21 ASN A 18 9.767 4.188 -8.833 1.00 0.00 H new ATOM 0 HD22 ASN A 18 9.023 5.462 -7.860 1.00 0.00 H new ATOM 247 N THR A 19 6.132 5.111 -4.921 1.00 0.00 N ATOM 248 CA THR A 19 6.809 5.241 -3.616 1.00 0.00 C ATOM 249 C THR A 19 8.178 5.942 -3.707 1.00 0.00 C ATOM 250 O THR A 19 8.730 6.126 -4.792 1.00 0.00 O ATOM 251 CB THR A 19 6.944 3.880 -2.873 1.00 0.00 C ATOM 252 OG1 THR A 19 7.298 2.821 -3.769 1.00 0.00 O ATOM 253 CG2 THR A 19 5.649 3.526 -2.158 1.00 0.00 C ATOM 0 H THR A 19 5.196 5.516 -4.929 1.00 0.00 H new ATOM 0 HA THR A 19 6.155 5.883 -3.026 1.00 0.00 H new ATOM 0 HB THR A 19 7.743 3.993 -2.141 1.00 0.00 H new ATOM 0 HG1 THR A 19 8.272 2.711 -3.777 1.00 0.00 H new ATOM 0 HG21 THR A 19 5.766 2.571 -1.645 1.00 0.00 H new ATOM 0 HG22 THR A 19 5.411 4.302 -1.430 1.00 0.00 H new ATOM 0 HG23 THR A 19 4.841 3.451 -2.885 1.00 0.00 H new ATOM 261 N PRO A 20 8.730 6.397 -2.565 1.00 0.00 N ATOM 262 CA PRO A 20 8.097 6.302 -1.254 1.00 0.00 C ATOM 263 C PRO A 20 7.240 7.530 -0.942 1.00 0.00 C ATOM 264 O PRO A 20 7.746 8.654 -0.886 1.00 0.00 O ATOM 265 CB PRO A 20 9.297 6.240 -0.313 1.00 0.00 C ATOM 266 CG PRO A 20 10.396 6.981 -1.009 1.00 0.00 C ATOM 267 CD PRO A 20 10.038 7.059 -2.473 1.00 0.00 C ATOM 0 HA PRO A 20 7.419 5.452 -1.174 1.00 0.00 H new ATOM 0 HB2 PRO A 20 9.064 6.697 0.649 1.00 0.00 H new ATOM 0 HB3 PRO A 20 9.586 5.208 -0.114 1.00 0.00 H new ATOM 0 HG2 PRO A 20 10.510 7.980 -0.589 1.00 0.00 H new ATOM 0 HG3 PRO A 20 11.348 6.468 -0.875 1.00 0.00 H new ATOM 0 HD2 PRO A 20 9.985 8.093 -2.815 1.00 0.00 H new ATOM 0 HD3 PRO A 20 10.782 6.557 -3.091 1.00 0.00 H new ATOM 275 N LEU A 21 5.946 7.332 -0.753 1.00 0.00 N ATOM 276 CA LEU A 21 5.069 8.444 -0.421 1.00 0.00 C ATOM 277 C LEU A 21 4.993 8.606 1.091 1.00 0.00 C ATOM 278 O LEU A 21 4.872 7.624 1.824 1.00 0.00 O ATOM 279 CB LEU A 21 3.664 8.263 -1.024 1.00 0.00 C ATOM 280 CG LEU A 21 2.771 7.197 -0.373 1.00 0.00 C ATOM 281 CD1 LEU A 21 1.336 7.354 -0.845 1.00 0.00 C ATOM 282 CD2 LEU A 21 3.266 5.792 -0.689 1.00 0.00 C ATOM 0 H LEU A 21 5.484 6.425 -0.822 1.00 0.00 H new ATOM 0 HA LEU A 21 5.489 9.350 -0.857 1.00 0.00 H new ATOM 0 HB2 LEU A 21 3.145 9.220 -0.973 1.00 0.00 H new ATOM 0 HB3 LEU A 21 3.775 8.016 -2.080 1.00 0.00 H new ATOM 0 HG LEU A 21 2.815 7.340 0.707 1.00 0.00 H new ATOM 0 HD11 LEU A 21 0.713 6.592 -0.376 1.00 0.00 H new ATOM 0 HD12 LEU A 21 0.969 8.343 -0.570 1.00 0.00 H new ATOM 0 HD13 LEU A 21 1.295 7.240 -1.928 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.612 5.061 -0.214 1.00 0.00 H new ATOM 0 HD22 LEU A 21 3.259 5.638 -1.768 1.00 0.00 H new ATOM 0 HD23 LEU A 21 4.281 5.671 -0.312 1.00 0.00 H new ATOM 294 N SER A 22 5.101 9.838 1.553 1.00 0.00 N ATOM 295 CA SER A 22 5.093 10.113 2.979 1.00 0.00 C ATOM 296 C SER A 22 3.667 10.128 3.524 1.00 0.00 C ATOM 297 O SER A 22 2.695 10.217 2.768 1.00 0.00 O ATOM 298 CB SER A 22 5.794 11.445 3.270 1.00 0.00 C ATOM 299 OG SER A 22 7.146 11.418 2.838 1.00 0.00 O ATOM 0 H SER A 22 5.195 10.664 0.962 1.00 0.00 H new ATOM 0 HA SER A 22 5.639 9.315 3.483 1.00 0.00 H new ATOM 0 HB2 SER A 22 5.265 12.255 2.768 1.00 0.00 H new ATOM 0 HB3 SER A 22 5.755 11.654 4.339 1.00 0.00 H new ATOM 0 HG SER A 22 7.569 12.280 3.034 1.00 0.00 H new ATOM 305 N GLU A 23 3.561 10.057 4.840 1.00 0.00 N ATOM 306 CA GLU A 23 2.273 9.965 5.519 1.00 0.00 C ATOM 307 C GLU A 23 1.426 11.223 5.315 1.00 0.00 C ATOM 308 O GLU A 23 0.273 11.141 4.893 1.00 0.00 O ATOM 309 CB GLU A 23 2.470 9.680 7.017 1.00 0.00 C ATOM 310 CG GLU A 23 3.843 10.058 7.571 1.00 0.00 C ATOM 311 CD GLU A 23 4.123 11.548 7.536 1.00 0.00 C ATOM 312 OE1 GLU A 23 4.608 12.041 6.496 1.00 0.00 O ATOM 313 OE2 GLU A 23 3.869 12.232 8.547 1.00 0.00 O ATOM 0 H GLU A 23 4.363 10.061 5.470 1.00 0.00 H new ATOM 0 HA GLU A 23 1.729 9.133 5.072 1.00 0.00 H new ATOM 0 HB2 GLU A 23 1.707 10.220 7.578 1.00 0.00 H new ATOM 0 HB3 GLU A 23 2.303 8.618 7.194 1.00 0.00 H new ATOM 0 HG2 GLU A 23 3.920 9.707 8.600 1.00 0.00 H new ATOM 0 HG3 GLU A 23 4.612 9.539 6.999 1.00 0.00 H new ATOM 320 N ASN A 24 2.003 12.387 5.574 1.00 0.00 N ATOM 321 CA ASN A 24 1.253 13.636 5.487 1.00 0.00 C ATOM 322 C ASN A 24 0.928 13.965 4.032 1.00 0.00 C ATOM 323 O ASN A 24 0.065 14.795 3.740 1.00 0.00 O ATOM 324 CB ASN A 24 2.040 14.782 6.126 1.00 0.00 C ATOM 325 CG ASN A 24 1.146 15.936 6.541 1.00 0.00 C ATOM 326 OD1 ASN A 24 0.883 16.854 5.763 1.00 0.00 O ATOM 327 ND2 ASN A 24 0.672 15.896 7.778 1.00 0.00 N ATOM 0 H ASN A 24 2.981 12.495 5.844 1.00 0.00 H new ATOM 0 HA ASN A 24 0.318 13.511 6.033 1.00 0.00 H new ATOM 0 HB2 ASN A 24 2.576 14.409 6.999 1.00 0.00 H new ATOM 0 HB3 ASN A 24 2.790 15.142 5.421 1.00 0.00 H new ATOM 0 HD21 ASN A 24 0.066 16.643 8.116 1.00 0.00 H new ATOM 0 HD22 ASN A 24 0.913 15.118 8.392 1.00 0.00 H new ATOM 334 N ASP A 25 1.605 13.280 3.122 1.00 0.00 N ATOM 335 CA ASP A 25 1.412 13.496 1.696 1.00 0.00 C ATOM 336 C ASP A 25 0.225 12.680 1.184 1.00 0.00 C ATOM 337 O ASP A 25 -0.558 13.158 0.361 1.00 0.00 O ATOM 338 CB ASP A 25 2.684 13.132 0.932 1.00 0.00 C ATOM 339 CG ASP A 25 2.566 13.379 -0.560 1.00 0.00 C ATOM 340 OD1 ASP A 25 2.350 14.544 -0.958 1.00 0.00 O ATOM 341 OD2 ASP A 25 2.708 12.415 -1.338 1.00 0.00 O ATOM 0 H ASP A 25 2.297 12.566 3.348 1.00 0.00 H new ATOM 0 HA ASP A 25 1.196 14.551 1.530 1.00 0.00 H new ATOM 0 HB2 ASP A 25 3.518 13.713 1.327 1.00 0.00 H new ATOM 0 HB3 ASP A 25 2.917 12.081 1.104 1.00 0.00 H new ATOM 346 N ILE A 26 0.087 11.451 1.684 1.00 0.00 N ATOM 347 CA ILE A 26 -1.052 10.610 1.319 1.00 0.00 C ATOM 348 C ILE A 26 -2.312 11.054 2.068 1.00 0.00 C ATOM 349 O ILE A 26 -3.417 11.009 1.527 1.00 0.00 O ATOM 350 CB ILE A 26 -0.774 9.101 1.567 1.00 0.00 C ATOM 351 CG1 ILE A 26 -1.996 8.250 1.190 1.00 0.00 C ATOM 352 CG2 ILE A 26 -0.373 8.843 3.010 1.00 0.00 C ATOM 353 CD1 ILE A 26 -1.766 6.761 1.337 1.00 0.00 C ATOM 0 H ILE A 26 0.743 11.020 2.336 1.00 0.00 H new ATOM 0 HA ILE A 26 -1.213 10.736 0.248 1.00 0.00 H new ATOM 0 HB ILE A 26 0.060 8.811 0.928 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -2.839 8.543 1.816 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -2.275 8.466 0.159 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.186 7.779 3.151 1.00 0.00 H new ATOM 0 HG22 ILE A 26 0.532 9.405 3.242 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.177 9.161 3.674 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -2.671 6.223 1.054 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -0.944 6.454 0.690 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -1.517 6.532 2.373 1.00 0.00 H new ATOM 365 N GLY A 27 -2.142 11.502 3.308 1.00 0.00 N ATOM 366 CA GLY A 27 -3.258 12.051 4.051 1.00 0.00 C ATOM 367 C GLY A 27 -3.411 11.439 5.426 1.00 0.00 C ATOM 368 O GLY A 27 -3.871 12.098 6.358 1.00 0.00 O ATOM 0 H GLY A 27 -1.254 11.494 3.809 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -3.126 13.128 4.152 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -4.176 11.894 3.485 1.00 0.00 H new ATOM 372 N VAL A 28 -3.032 10.180 5.556 1.00 0.00 N ATOM 373 CA VAL A 28 -3.150 9.476 6.825 1.00 0.00 C ATOM 374 C VAL A 28 -1.872 9.628 7.641 1.00 0.00 C ATOM 375 O VAL A 28 -0.800 9.822 7.079 1.00 0.00 O ATOM 376 CB VAL A 28 -3.447 7.976 6.606 1.00 0.00 C ATOM 377 CG1 VAL A 28 -4.778 7.793 5.898 1.00 0.00 C ATOM 378 CG2 VAL A 28 -2.329 7.319 5.811 1.00 0.00 C ATOM 0 H VAL A 28 -2.639 9.622 4.798 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.982 9.920 7.372 1.00 0.00 H new ATOM 0 HB VAL A 28 -3.506 7.494 7.582 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -4.970 6.730 5.753 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -5.575 8.226 6.503 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -4.746 8.292 4.929 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -2.557 6.263 5.667 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -2.238 7.806 4.840 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -1.390 7.417 6.355 1.00 0.00 H new ATOM 388 N THR A 29 -1.981 9.554 8.961 1.00 0.00 N ATOM 389 CA THR A 29 -0.805 9.655 9.810 1.00 0.00 C ATOM 390 C THR A 29 0.082 8.435 9.638 1.00 0.00 C ATOM 391 O THR A 29 -0.292 7.455 8.986 1.00 0.00 O ATOM 392 CB THR A 29 -1.168 9.809 11.304 1.00 0.00 C ATOM 393 OG1 THR A 29 0.006 10.065 12.091 1.00 0.00 O ATOM 394 CG2 THR A 29 -1.860 8.560 11.826 1.00 0.00 C ATOM 0 H THR A 29 -2.861 9.426 9.461 1.00 0.00 H new ATOM 0 HA THR A 29 -0.272 10.553 9.497 1.00 0.00 H new ATOM 0 HB THR A 29 -1.849 10.656 11.390 1.00 0.00 H new ATOM 0 HG1 THR A 29 -0.246 10.161 13.033 1.00 0.00 H new ATOM 0 HG21 THR A 29 -2.105 8.693 12.880 1.00 0.00 H new ATOM 0 HG22 THR A 29 -2.775 8.387 11.259 1.00 0.00 H new ATOM 0 HG23 THR A 29 -1.196 7.703 11.714 1.00 0.00 H new ATOM 402 N GLU A 30 1.240 8.495 10.261 1.00 0.00 N ATOM 403 CA GLU A 30 2.231 7.441 10.133 1.00 0.00 C ATOM 404 C GLU A 30 1.695 6.136 10.698 1.00 0.00 C ATOM 405 O GLU A 30 1.881 5.074 10.111 1.00 0.00 O ATOM 406 CB GLU A 30 3.529 7.818 10.846 1.00 0.00 C ATOM 407 CG GLU A 30 4.597 6.747 10.724 1.00 0.00 C ATOM 408 CD GLU A 30 5.835 7.047 11.540 1.00 0.00 C ATOM 409 OE1 GLU A 30 6.748 7.717 11.023 1.00 0.00 O ATOM 410 OE2 GLU A 30 5.907 6.594 12.700 1.00 0.00 O ATOM 0 H GLU A 30 1.522 9.267 10.865 1.00 0.00 H new ATOM 0 HA GLU A 30 2.444 7.311 9.072 1.00 0.00 H new ATOM 0 HB2 GLU A 30 3.908 8.752 10.432 1.00 0.00 H new ATOM 0 HB3 GLU A 30 3.320 7.999 11.900 1.00 0.00 H new ATOM 0 HG2 GLU A 30 4.182 5.791 11.043 1.00 0.00 H new ATOM 0 HG3 GLU A 30 4.877 6.640 9.676 1.00 0.00 H new ATOM 417 N ASP A 31 1.010 6.231 11.828 1.00 0.00 N ATOM 418 CA ASP A 31 0.479 5.058 12.511 1.00 0.00 C ATOM 419 C ASP A 31 -0.530 4.322 11.641 1.00 0.00 C ATOM 420 O ASP A 31 -0.541 3.096 11.596 1.00 0.00 O ATOM 421 CB ASP A 31 -0.180 5.462 13.829 1.00 0.00 C ATOM 422 CG ASP A 31 0.766 6.198 14.750 1.00 0.00 C ATOM 423 OD1 ASP A 31 1.497 5.540 15.516 1.00 0.00 O ATOM 424 OD2 ASP A 31 0.787 7.445 14.707 1.00 0.00 O ATOM 0 H ASP A 31 0.807 7.115 12.295 1.00 0.00 H new ATOM 0 HA ASP A 31 1.314 4.388 12.714 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -1.043 6.094 13.621 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -0.552 4.570 14.333 1.00 0.00 H new ATOM 429 N GLN A 32 -1.370 5.077 10.944 1.00 0.00 N ATOM 430 CA GLN A 32 -2.386 4.487 10.078 1.00 0.00 C ATOM 431 C GLN A 32 -1.753 3.927 8.813 1.00 0.00 C ATOM 432 O GLN A 32 -2.132 2.856 8.337 1.00 0.00 O ATOM 433 CB GLN A 32 -3.455 5.525 9.727 1.00 0.00 C ATOM 434 CG GLN A 32 -4.256 5.990 10.932 1.00 0.00 C ATOM 435 CD GLN A 32 -5.007 4.855 11.598 1.00 0.00 C ATOM 436 OE1 GLN A 32 -5.443 3.913 10.936 1.00 0.00 O ATOM 437 NE2 GLN A 32 -5.140 4.919 12.910 1.00 0.00 N ATOM 0 H GLN A 32 -1.369 6.097 10.960 1.00 0.00 H new ATOM 0 HA GLN A 32 -2.862 3.666 10.615 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -2.977 6.387 9.262 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -4.135 5.101 8.988 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -3.584 6.452 11.656 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -4.964 6.757 10.620 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -4.764 5.717 13.422 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -5.618 4.170 13.411 1.00 0.00 H new ATOM 446 N PHE A 33 -0.784 4.657 8.280 1.00 0.00 N ATOM 447 CA PHE A 33 -0.046 4.215 7.107 1.00 0.00 C ATOM 448 C PHE A 33 0.678 2.907 7.418 1.00 0.00 C ATOM 449 O PHE A 33 0.569 1.929 6.680 1.00 0.00 O ATOM 450 CB PHE A 33 0.950 5.304 6.694 1.00 0.00 C ATOM 451 CG PHE A 33 1.636 5.061 5.377 1.00 0.00 C ATOM 452 CD1 PHE A 33 0.941 5.200 4.186 1.00 0.00 C ATOM 453 CD2 PHE A 33 2.975 4.706 5.329 1.00 0.00 C ATOM 454 CE1 PHE A 33 1.569 4.989 2.972 1.00 0.00 C ATOM 455 CE2 PHE A 33 3.609 4.495 4.119 1.00 0.00 C ATOM 456 CZ PHE A 33 2.904 4.636 2.938 1.00 0.00 C ATOM 0 H PHE A 33 -0.490 5.563 8.644 1.00 0.00 H new ATOM 0 HA PHE A 33 -0.734 4.039 6.280 1.00 0.00 H new ATOM 0 HB2 PHE A 33 0.425 6.258 6.644 1.00 0.00 H new ATOM 0 HB3 PHE A 33 1.708 5.398 7.471 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -0.103 5.476 4.206 1.00 0.00 H new ATOM 0 HD2 PHE A 33 3.530 4.593 6.249 1.00 0.00 H new ATOM 0 HE1 PHE A 33 1.016 5.100 2.051 1.00 0.00 H new ATOM 0 HE2 PHE A 33 4.653 4.220 4.096 1.00 0.00 H new ATOM 0 HZ PHE A 33 3.396 4.470 1.991 1.00 0.00 H new ATOM 466 N ASP A 34 1.381 2.900 8.544 1.00 0.00 N ATOM 467 CA ASP A 34 2.118 1.729 9.006 1.00 0.00 C ATOM 468 C ASP A 34 1.179 0.555 9.279 1.00 0.00 C ATOM 469 O ASP A 34 1.439 -0.572 8.852 1.00 0.00 O ATOM 470 CB ASP A 34 2.902 2.087 10.273 1.00 0.00 C ATOM 471 CG ASP A 34 3.557 0.891 10.932 1.00 0.00 C ATOM 472 OD1 ASP A 34 4.656 0.493 10.494 1.00 0.00 O ATOM 473 OD2 ASP A 34 2.982 0.359 11.906 1.00 0.00 O ATOM 0 H ASP A 34 1.457 3.707 9.164 1.00 0.00 H new ATOM 0 HA ASP A 34 2.811 1.424 8.222 1.00 0.00 H new ATOM 0 HB2 ASP A 34 3.669 2.820 10.022 1.00 0.00 H new ATOM 0 HB3 ASP A 34 2.228 2.562 10.986 1.00 0.00 H new ATOM 478 N ASP A 35 0.082 0.833 9.978 1.00 0.00 N ATOM 479 CA ASP A 35 -0.885 -0.197 10.359 1.00 0.00 C ATOM 480 C ASP A 35 -1.403 -0.955 9.139 1.00 0.00 C ATOM 481 O ASP A 35 -1.369 -2.186 9.103 1.00 0.00 O ATOM 482 CB ASP A 35 -2.053 0.435 11.127 1.00 0.00 C ATOM 483 CG ASP A 35 -3.059 -0.585 11.630 1.00 0.00 C ATOM 484 OD1 ASP A 35 -2.637 -1.583 12.252 1.00 0.00 O ATOM 485 OD2 ASP A 35 -4.276 -0.382 11.428 1.00 0.00 O ATOM 0 H ASP A 35 -0.162 1.771 10.295 1.00 0.00 H new ATOM 0 HA ASP A 35 -0.377 -0.913 11.005 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -1.661 0.997 11.974 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -2.562 1.149 10.479 1.00 0.00 H new ATOM 490 N ALA A 36 -1.850 -0.217 8.131 1.00 0.00 N ATOM 491 CA ALA A 36 -2.418 -0.824 6.934 1.00 0.00 C ATOM 492 C ALA A 36 -1.359 -1.558 6.112 1.00 0.00 C ATOM 493 O ALA A 36 -1.583 -2.684 5.668 1.00 0.00 O ATOM 494 CB ALA A 36 -3.110 0.234 6.091 1.00 0.00 C ATOM 0 H ALA A 36 -1.830 0.803 8.118 1.00 0.00 H new ATOM 0 HA ALA A 36 -3.152 -1.564 7.252 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -3.531 -0.230 5.199 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -3.909 0.696 6.671 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -2.387 0.995 5.797 1.00 0.00 H new ATOM 500 N VAL A 37 -0.199 -0.932 5.920 1.00 0.00 N ATOM 501 CA VAL A 37 0.862 -1.523 5.101 1.00 0.00 C ATOM 502 C VAL A 37 1.346 -2.854 5.685 1.00 0.00 C ATOM 503 O VAL A 37 1.483 -3.844 4.961 1.00 0.00 O ATOM 504 CB VAL A 37 2.061 -0.562 4.928 1.00 0.00 C ATOM 505 CG1 VAL A 37 3.226 -1.260 4.234 1.00 0.00 C ATOM 506 CG2 VAL A 37 1.645 0.665 4.130 1.00 0.00 C ATOM 0 H VAL A 37 0.031 -0.021 6.317 1.00 0.00 H new ATOM 0 HA VAL A 37 0.427 -1.708 4.119 1.00 0.00 H new ATOM 0 HB VAL A 37 2.387 -0.250 5.920 1.00 0.00 H new ATOM 0 HG11 VAL A 37 4.056 -0.562 4.125 1.00 0.00 H new ATOM 0 HG12 VAL A 37 3.546 -2.114 4.831 1.00 0.00 H new ATOM 0 HG13 VAL A 37 2.910 -1.604 3.249 1.00 0.00 H new ATOM 0 HG21 VAL A 37 2.500 1.332 4.017 1.00 0.00 H new ATOM 0 HG22 VAL A 37 1.292 0.357 3.146 1.00 0.00 H new ATOM 0 HG23 VAL A 37 0.845 1.187 4.655 1.00 0.00 H new ATOM 516 N ASN A 38 1.585 -2.887 6.992 1.00 0.00 N ATOM 517 CA ASN A 38 2.053 -4.110 7.646 1.00 0.00 C ATOM 518 C ASN A 38 0.992 -5.201 7.580 1.00 0.00 C ATOM 519 O ASN A 38 1.309 -6.384 7.426 1.00 0.00 O ATOM 520 CB ASN A 38 2.439 -3.856 9.108 1.00 0.00 C ATOM 521 CG ASN A 38 3.792 -3.184 9.252 1.00 0.00 C ATOM 522 OD1 ASN A 38 4.824 -3.850 9.307 1.00 0.00 O ATOM 523 ND2 ASN A 38 3.795 -1.867 9.327 1.00 0.00 N ATOM 0 H ASN A 38 1.465 -2.090 7.617 1.00 0.00 H new ATOM 0 HA ASN A 38 2.941 -4.441 7.108 1.00 0.00 H new ATOM 0 HB2 ASN A 38 1.677 -3.233 9.577 1.00 0.00 H new ATOM 0 HB3 ASN A 38 2.450 -4.804 9.646 1.00 0.00 H new ATOM 0 HD21 ASN A 38 4.676 -1.364 9.435 1.00 0.00 H new ATOM 0 HD22 ASN A 38 2.916 -1.351 9.277 1.00 0.00 H new ATOM 530 N PHE A 39 -0.266 -4.799 7.679 1.00 0.00 N ATOM 531 CA PHE A 39 -1.372 -5.742 7.631 1.00 0.00 C ATOM 532 C PHE A 39 -1.505 -6.338 6.231 1.00 0.00 C ATOM 533 O PHE A 39 -1.682 -7.548 6.068 1.00 0.00 O ATOM 534 CB PHE A 39 -2.670 -5.047 8.039 1.00 0.00 C ATOM 535 CG PHE A 39 -3.817 -5.990 8.239 1.00 0.00 C ATOM 536 CD1 PHE A 39 -3.927 -6.727 9.408 1.00 0.00 C ATOM 537 CD2 PHE A 39 -4.784 -6.137 7.264 1.00 0.00 C ATOM 538 CE1 PHE A 39 -4.984 -7.595 9.597 1.00 0.00 C ATOM 539 CE2 PHE A 39 -5.842 -7.000 7.448 1.00 0.00 C ATOM 540 CZ PHE A 39 -5.942 -7.732 8.615 1.00 0.00 C ATOM 0 H PHE A 39 -0.546 -3.825 7.793 1.00 0.00 H new ATOM 0 HA PHE A 39 -1.172 -6.553 8.332 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -2.501 -4.492 8.962 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -2.938 -4.318 7.274 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -3.178 -6.621 10.179 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -4.710 -5.570 6.348 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -5.060 -8.165 10.511 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -6.594 -7.104 6.679 1.00 0.00 H new ATOM 0 HZ PHE A 39 -6.770 -8.411 8.758 1.00 0.00 H new ATOM 550 N LEU A 40 -1.389 -5.485 5.222 1.00 0.00 N ATOM 551 CA LEU A 40 -1.473 -5.920 3.834 1.00 0.00 C ATOM 552 C LEU A 40 -0.339 -6.877 3.491 1.00 0.00 C ATOM 553 O LEU A 40 -0.517 -7.807 2.706 1.00 0.00 O ATOM 554 CB LEU A 40 -1.455 -4.714 2.898 1.00 0.00 C ATOM 555 CG LEU A 40 -2.709 -3.846 2.959 1.00 0.00 C ATOM 556 CD1 LEU A 40 -2.552 -2.623 2.072 1.00 0.00 C ATOM 557 CD2 LEU A 40 -3.924 -4.660 2.543 1.00 0.00 C ATOM 0 H LEU A 40 -1.236 -4.483 5.340 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.415 -6.452 3.702 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.589 -4.097 3.138 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.322 -5.066 1.875 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.853 -3.505 3.984 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.455 -2.015 2.127 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -1.698 -2.036 2.410 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.390 -2.939 1.042 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.815 -4.034 2.589 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -3.788 -5.022 1.524 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.042 -5.508 3.217 1.00 0.00 H new ATOM 569 N LYS A 41 0.820 -6.653 4.090 1.00 0.00 N ATOM 570 CA LYS A 41 1.959 -7.539 3.895 1.00 0.00 C ATOM 571 C LYS A 41 1.669 -8.896 4.539 1.00 0.00 C ATOM 572 O LYS A 41 2.051 -9.943 4.017 1.00 0.00 O ATOM 573 CB LYS A 41 3.223 -6.900 4.495 1.00 0.00 C ATOM 574 CG LYS A 41 4.532 -7.415 3.904 1.00 0.00 C ATOM 575 CD LYS A 41 4.899 -8.798 4.422 1.00 0.00 C ATOM 576 CE LYS A 41 5.973 -8.742 5.500 1.00 0.00 C ATOM 577 NZ LYS A 41 5.572 -7.919 6.672 1.00 0.00 N ATOM 0 H LYS A 41 0.998 -5.866 4.715 1.00 0.00 H new ATOM 0 HA LYS A 41 2.128 -7.693 2.829 1.00 0.00 H new ATOM 0 HB2 LYS A 41 3.173 -5.821 4.350 1.00 0.00 H new ATOM 0 HB3 LYS A 41 3.229 -7.078 5.570 1.00 0.00 H new ATOM 0 HG2 LYS A 41 4.449 -7.447 2.818 1.00 0.00 H new ATOM 0 HG3 LYS A 41 5.334 -6.716 4.142 1.00 0.00 H new ATOM 0 HD2 LYS A 41 4.009 -9.282 4.823 1.00 0.00 H new ATOM 0 HD3 LYS A 41 5.250 -9.413 3.593 1.00 0.00 H new ATOM 0 HE2 LYS A 41 6.199 -9.755 5.834 1.00 0.00 H new ATOM 0 HE3 LYS A 41 6.889 -8.335 5.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 6.295 -7.998 7.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 5.480 -6.924 6.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 4.660 -8.258 7.039 1.00 0.00 H new ATOM 591 N ARG A 42 0.955 -8.866 5.658 1.00 0.00 N ATOM 592 CA ARG A 42 0.639 -10.078 6.404 1.00 0.00 C ATOM 593 C ARG A 42 -0.308 -10.983 5.619 1.00 0.00 C ATOM 594 O ARG A 42 -0.118 -12.197 5.582 1.00 0.00 O ATOM 595 CB ARG A 42 0.030 -9.723 7.765 1.00 0.00 C ATOM 596 CG ARG A 42 -0.256 -10.932 8.644 1.00 0.00 C ATOM 597 CD ARG A 42 -0.755 -10.508 10.015 1.00 0.00 C ATOM 598 NE ARG A 42 -1.000 -11.647 10.901 1.00 0.00 N ATOM 599 CZ ARG A 42 -0.310 -11.875 12.020 1.00 0.00 C ATOM 600 NH1 ARG A 42 0.751 -11.135 12.315 1.00 0.00 N ATOM 601 NH2 ARG A 42 -0.658 -12.876 12.819 1.00 0.00 N ATOM 0 H ARG A 42 0.582 -8.011 6.070 1.00 0.00 H new ATOM 0 HA ARG A 42 1.569 -10.624 6.564 1.00 0.00 H new ATOM 0 HB2 ARG A 42 0.709 -9.054 8.293 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -0.898 -9.174 7.605 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -1.000 -11.567 8.163 1.00 0.00 H new ATOM 0 HG3 ARG A 42 0.650 -11.529 8.752 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -0.022 -9.845 10.475 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -1.676 -9.936 9.902 1.00 0.00 H new ATOM 0 HE ARG A 42 -1.739 -12.303 10.649 1.00 0.00 H new ATOM 0 HH11 ARG A 42 1.043 -10.388 11.685 1.00 0.00 H new ATOM 0 HH12 ARG A 42 1.275 -11.313 13.172 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -1.452 -13.469 12.577 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -0.132 -13.052 13.675 1.00 0.00 H new ATOM 615 N GLU A 43 -1.324 -10.400 4.992 1.00 0.00 N ATOM 616 CA GLU A 43 -2.276 -11.190 4.215 1.00 0.00 C ATOM 617 C GLU A 43 -1.739 -11.480 2.815 1.00 0.00 C ATOM 618 O GLU A 43 -2.148 -12.447 2.172 1.00 0.00 O ATOM 619 CB GLU A 43 -3.640 -10.499 4.134 1.00 0.00 C ATOM 620 CG GLU A 43 -4.314 -10.329 5.486 1.00 0.00 C ATOM 621 CD GLU A 43 -5.828 -10.304 5.388 1.00 0.00 C ATOM 622 OE1 GLU A 43 -6.407 -9.233 5.120 1.00 0.00 O ATOM 623 OE2 GLU A 43 -6.459 -11.362 5.597 1.00 0.00 O ATOM 0 H GLU A 43 -1.510 -9.397 5.005 1.00 0.00 H new ATOM 0 HA GLU A 43 -2.409 -12.140 4.733 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -3.515 -9.519 3.673 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -4.294 -11.078 3.481 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -4.010 -11.144 6.144 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -3.969 -9.403 5.945 1.00 0.00 H new ATOM 630 N GLY A 44 -0.824 -10.644 2.344 1.00 0.00 N ATOM 631 CA GLY A 44 -0.176 -10.902 1.072 1.00 0.00 C ATOM 632 C GLY A 44 -0.748 -10.082 -0.066 1.00 0.00 C ATOM 633 O GLY A 44 -0.912 -10.585 -1.180 1.00 0.00 O ATOM 0 H GLY A 44 -0.519 -9.794 2.818 1.00 0.00 H new ATOM 0 HA2 GLY A 44 0.889 -10.690 1.165 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -0.270 -11.961 0.832 1.00 0.00 H new ATOM 637 N TYR A 45 -1.060 -8.825 0.208 1.00 0.00 N ATOM 638 CA TYR A 45 -1.529 -7.912 -0.829 1.00 0.00 C ATOM 639 C TYR A 45 -0.347 -7.207 -1.484 1.00 0.00 C ATOM 640 O TYR A 45 -0.384 -6.862 -2.666 1.00 0.00 O ATOM 641 CB TYR A 45 -2.502 -6.884 -0.248 1.00 0.00 C ATOM 642 CG TYR A 45 -3.861 -7.455 0.091 1.00 0.00 C ATOM 643 CD1 TYR A 45 -4.121 -8.001 1.343 1.00 0.00 C ATOM 644 CD2 TYR A 45 -4.891 -7.444 -0.843 1.00 0.00 C ATOM 645 CE1 TYR A 45 -5.364 -8.521 1.652 1.00 0.00 C ATOM 646 CE2 TYR A 45 -6.137 -7.960 -0.542 1.00 0.00 C ATOM 647 CZ TYR A 45 -6.368 -8.497 0.707 1.00 0.00 C ATOM 648 OH TYR A 45 -7.608 -9.011 1.009 1.00 0.00 O ATOM 0 H TYR A 45 -0.998 -8.412 1.138 1.00 0.00 H new ATOM 0 HA TYR A 45 -2.056 -8.494 -1.585 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -2.065 -6.452 0.652 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -2.628 -6.071 -0.963 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -3.338 -8.019 2.087 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -4.714 -7.024 -1.822 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -5.548 -8.944 2.629 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -6.925 -7.943 -1.280 1.00 0.00 H new ATOM 0 HH TYR A 45 -8.200 -8.915 0.234 1.00 0.00 H new ATOM 658 N ILE A 46 0.704 -7.003 -0.703 1.00 0.00 N ATOM 659 CA ILE A 46 1.935 -6.406 -1.202 1.00 0.00 C ATOM 660 C ILE A 46 3.145 -7.063 -0.555 1.00 0.00 C ATOM 661 O ILE A 46 3.060 -7.575 0.560 1.00 0.00 O ATOM 662 CB ILE A 46 1.984 -4.871 -0.986 1.00 0.00 C ATOM 663 CG1 ILE A 46 1.348 -4.459 0.349 1.00 0.00 C ATOM 664 CG2 ILE A 46 1.309 -4.149 -2.140 1.00 0.00 C ATOM 665 CD1 ILE A 46 2.220 -4.717 1.559 1.00 0.00 C ATOM 0 H ILE A 46 0.728 -7.245 0.288 1.00 0.00 H new ATOM 0 HA ILE A 46 1.957 -6.581 -2.278 1.00 0.00 H new ATOM 0 HB ILE A 46 3.034 -4.581 -0.952 1.00 0.00 H new ATOM 0 HG12 ILE A 46 1.105 -3.397 0.310 1.00 0.00 H new ATOM 0 HG13 ILE A 46 0.408 -4.997 0.472 1.00 0.00 H new ATOM 0 HG21 ILE A 46 1.353 -3.073 -1.971 1.00 0.00 H new ATOM 0 HG22 ILE A 46 1.822 -4.392 -3.071 1.00 0.00 H new ATOM 0 HG23 ILE A 46 0.268 -4.464 -2.207 1.00 0.00 H new ATOM 0 HD11 ILE A 46 1.696 -4.398 2.460 1.00 0.00 H new ATOM 0 HD12 ILE A 46 2.442 -5.782 1.627 1.00 0.00 H new ATOM 0 HD13 ILE A 46 3.150 -4.157 1.463 1.00 0.00 H new ATOM 677 N ILE A 47 4.260 -7.062 -1.270 1.00 0.00 N ATOM 678 CA ILE A 47 5.498 -7.653 -0.782 1.00 0.00 C ATOM 679 C ILE A 47 6.663 -6.713 -1.056 1.00 0.00 C ATOM 680 O ILE A 47 6.483 -5.647 -1.647 1.00 0.00 O ATOM 681 CB ILE A 47 5.787 -9.020 -1.447 1.00 0.00 C ATOM 682 CG1 ILE A 47 5.768 -8.888 -2.977 1.00 0.00 C ATOM 683 CG2 ILE A 47 4.784 -10.069 -0.979 1.00 0.00 C ATOM 684 CD1 ILE A 47 6.126 -10.168 -3.703 1.00 0.00 C ATOM 0 H ILE A 47 4.333 -6.653 -2.202 1.00 0.00 H new ATOM 0 HA ILE A 47 5.382 -7.812 0.290 1.00 0.00 H new ATOM 0 HB ILE A 47 6.782 -9.347 -1.146 1.00 0.00 H new ATOM 0 HG12 ILE A 47 4.775 -8.567 -3.293 1.00 0.00 H new ATOM 0 HG13 ILE A 47 6.466 -8.105 -3.274 1.00 0.00 H new ATOM 0 HG21 ILE A 47 5.005 -11.023 -1.458 1.00 0.00 H new ATOM 0 HG22 ILE A 47 4.854 -10.182 0.103 1.00 0.00 H new ATOM 0 HG23 ILE A 47 3.776 -9.753 -1.247 1.00 0.00 H new ATOM 0 HD11 ILE A 47 6.091 -9.998 -4.779 1.00 0.00 H new ATOM 0 HD12 ILE A 47 7.131 -10.480 -3.417 1.00 0.00 H new ATOM 0 HD13 ILE A 47 5.414 -10.949 -3.436 1.00 0.00 H new ATOM 696 N GLY A 48 7.850 -7.102 -0.616 1.00 0.00 N ATOM 697 CA GLY A 48 9.034 -6.304 -0.878 1.00 0.00 C ATOM 698 C GLY A 48 9.100 -5.052 -0.025 1.00 0.00 C ATOM 699 O GLY A 48 9.858 -4.125 -0.321 1.00 0.00 O ATOM 0 H GLY A 48 8.017 -7.955 -0.082 1.00 0.00 H new ATOM 0 HA2 GLY A 48 9.922 -6.909 -0.696 1.00 0.00 H new ATOM 0 HA3 GLY A 48 9.051 -6.022 -1.931 1.00 0.00 H new ATOM 703 N VAL A 49 8.311 -5.018 1.040 1.00 0.00 N ATOM 704 CA VAL A 49 8.307 -3.876 1.933 1.00 0.00 C ATOM 705 C VAL A 49 9.582 -3.872 2.760 1.00 0.00 C ATOM 706 O VAL A 49 9.814 -4.760 3.578 1.00 0.00 O ATOM 707 CB VAL A 49 7.075 -3.864 2.861 1.00 0.00 C ATOM 708 CG1 VAL A 49 7.122 -2.672 3.806 1.00 0.00 C ATOM 709 CG2 VAL A 49 5.794 -3.839 2.039 1.00 0.00 C ATOM 0 H VAL A 49 7.669 -5.766 1.303 1.00 0.00 H new ATOM 0 HA VAL A 49 8.257 -2.976 1.320 1.00 0.00 H new ATOM 0 HB VAL A 49 7.089 -4.775 3.460 1.00 0.00 H new ATOM 0 HG11 VAL A 49 6.243 -2.684 4.451 1.00 0.00 H new ATOM 0 HG12 VAL A 49 8.022 -2.728 4.418 1.00 0.00 H new ATOM 0 HG13 VAL A 49 7.134 -1.749 3.227 1.00 0.00 H new ATOM 0 HG21 VAL A 49 4.933 -3.831 2.707 1.00 0.00 H new ATOM 0 HG22 VAL A 49 5.779 -2.944 1.416 1.00 0.00 H new ATOM 0 HG23 VAL A 49 5.752 -4.724 1.404 1.00 0.00 H new ATOM 719 N HIS A 50 10.417 -2.878 2.515 1.00 0.00 N ATOM 720 CA HIS A 50 11.704 -2.784 3.182 1.00 0.00 C ATOM 721 C HIS A 50 11.547 -2.202 4.580 1.00 0.00 C ATOM 722 O HIS A 50 11.156 -1.043 4.745 1.00 0.00 O ATOM 723 CB HIS A 50 12.680 -1.943 2.351 1.00 0.00 C ATOM 724 CG HIS A 50 13.259 -2.669 1.171 1.00 0.00 C ATOM 725 ND1 HIS A 50 12.491 -3.277 0.195 1.00 0.00 N ATOM 726 CD2 HIS A 50 14.548 -2.873 0.807 1.00 0.00 C ATOM 727 CE1 HIS A 50 13.284 -3.814 -0.713 1.00 0.00 C ATOM 728 NE2 HIS A 50 14.534 -3.585 -0.367 1.00 0.00 N ATOM 0 H HIS A 50 10.226 -2.122 1.857 1.00 0.00 H new ATOM 0 HA HIS A 50 12.113 -3.790 3.278 1.00 0.00 H new ATOM 0 HB2 HIS A 50 12.165 -1.050 1.998 1.00 0.00 H new ATOM 0 HB3 HIS A 50 13.494 -1.608 2.994 1.00 0.00 H new ATOM 0 HD1 HIS A 50 11.472 -3.306 0.179 1.00 0.00 H new ATOM 0 HD2 HIS A 50 15.425 -2.538 1.341 1.00 0.00 H new ATOM 0 HE1 HIS A 50 12.962 -4.351 -1.593 1.00 0.00 H new ATOM 737 N TYR A 51 11.815 -3.035 5.577 1.00 0.00 N ATOM 738 CA TYR A 51 11.787 -2.611 6.969 1.00 0.00 C ATOM 739 C TYR A 51 13.210 -2.385 7.452 1.00 0.00 C ATOM 740 O TYR A 51 14.122 -3.113 7.056 1.00 0.00 O ATOM 741 CB TYR A 51 11.124 -3.677 7.850 1.00 0.00 C ATOM 742 CG TYR A 51 9.729 -4.074 7.423 1.00 0.00 C ATOM 743 CD1 TYR A 51 8.624 -3.309 7.779 1.00 0.00 C ATOM 744 CD2 TYR A 51 9.515 -5.227 6.679 1.00 0.00 C ATOM 745 CE1 TYR A 51 7.349 -3.682 7.403 1.00 0.00 C ATOM 746 CE2 TYR A 51 8.242 -5.605 6.298 1.00 0.00 C ATOM 747 CZ TYR A 51 7.163 -4.829 6.664 1.00 0.00 C ATOM 748 OH TYR A 51 5.892 -5.203 6.287 1.00 0.00 O ATOM 0 H TYR A 51 12.056 -4.017 5.444 1.00 0.00 H new ATOM 0 HA TYR A 51 11.211 -1.689 7.040 1.00 0.00 H new ATOM 0 HB2 TYR A 51 11.754 -4.566 7.856 1.00 0.00 H new ATOM 0 HB3 TYR A 51 11.084 -3.308 8.875 1.00 0.00 H new ATOM 0 HD1 TYR A 51 8.765 -2.409 8.359 1.00 0.00 H new ATOM 0 HD2 TYR A 51 10.358 -5.839 6.393 1.00 0.00 H new ATOM 0 HE1 TYR A 51 6.501 -3.077 7.687 1.00 0.00 H new ATOM 0 HE2 TYR A 51 8.093 -6.503 5.717 1.00 0.00 H new ATOM 0 HH TYR A 51 5.736 -4.939 5.356 1.00 0.00 H new ATOM 758 N SER A 52 13.406 -1.379 8.290 1.00 0.00 N ATOM 759 CA SER A 52 14.714 -1.129 8.865 1.00 0.00 C ATOM 760 C SER A 52 14.619 -0.989 10.376 1.00 0.00 C ATOM 761 O SER A 52 14.332 0.094 10.890 1.00 0.00 O ATOM 762 CB SER A 52 15.343 0.122 8.260 1.00 0.00 C ATOM 763 OG SER A 52 15.545 -0.028 6.864 1.00 0.00 O ATOM 0 H SER A 52 12.679 -0.727 8.585 1.00 0.00 H new ATOM 0 HA SER A 52 15.351 -1.983 8.633 1.00 0.00 H new ATOM 0 HB2 SER A 52 14.700 0.982 8.446 1.00 0.00 H new ATOM 0 HB3 SER A 52 16.296 0.325 8.748 1.00 0.00 H new ATOM 0 HG SER A 52 15.253 0.786 6.402 1.00 0.00 H new ATOM 769 N ASP A 53 14.822 -2.113 11.065 1.00 0.00 N ATOM 770 CA ASP A 53 14.872 -2.166 12.527 1.00 0.00 C ATOM 771 C ASP A 53 13.538 -1.802 13.167 1.00 0.00 C ATOM 772 O ASP A 53 12.802 -2.670 13.631 1.00 0.00 O ATOM 773 CB ASP A 53 15.980 -1.256 13.076 1.00 0.00 C ATOM 774 CG ASP A 53 17.364 -1.686 12.630 1.00 0.00 C ATOM 775 OD1 ASP A 53 17.868 -2.709 13.142 1.00 0.00 O ATOM 776 OD2 ASP A 53 17.949 -1.013 11.759 1.00 0.00 O ATOM 0 H ASP A 53 14.958 -3.021 10.620 1.00 0.00 H new ATOM 0 HA ASP A 53 15.096 -3.200 12.790 1.00 0.00 H new ATOM 0 HB2 ASP A 53 15.799 -0.232 12.749 1.00 0.00 H new ATOM 0 HB3 ASP A 53 15.938 -1.255 14.165 1.00 0.00 H new ATOM 781 N ASP A 54 13.227 -0.519 13.183 1.00 0.00 N ATOM 782 CA ASP A 54 12.058 -0.025 13.888 1.00 0.00 C ATOM 783 C ASP A 54 10.878 0.207 12.948 1.00 0.00 C ATOM 784 O ASP A 54 9.749 -0.176 13.254 1.00 0.00 O ATOM 785 CB ASP A 54 12.406 1.272 14.622 1.00 0.00 C ATOM 786 CG ASP A 54 11.200 1.915 15.272 1.00 0.00 C ATOM 787 OD1 ASP A 54 10.568 1.269 16.135 1.00 0.00 O ATOM 788 OD2 ASP A 54 10.883 3.077 14.928 1.00 0.00 O ATOM 0 H ASP A 54 13.771 0.204 12.713 1.00 0.00 H new ATOM 0 HA ASP A 54 11.758 -0.787 14.607 1.00 0.00 H new ATOM 0 HB2 ASP A 54 13.157 1.063 15.384 1.00 0.00 H new ATOM 0 HB3 ASP A 54 12.853 1.975 13.918 1.00 0.00 H new ATOM 793 N ARG A 55 11.141 0.810 11.800 1.00 0.00 N ATOM 794 CA ARG A 55 10.069 1.273 10.928 1.00 0.00 C ATOM 795 C ARG A 55 10.376 0.939 9.469 1.00 0.00 C ATOM 796 O ARG A 55 11.543 0.875 9.074 1.00 0.00 O ATOM 797 CB ARG A 55 9.923 2.790 11.089 1.00 0.00 C ATOM 798 CG ARG A 55 8.490 3.300 11.094 1.00 0.00 C ATOM 799 CD ARG A 55 7.764 2.930 12.377 1.00 0.00 C ATOM 800 NE ARG A 55 6.633 3.823 12.642 1.00 0.00 N ATOM 801 CZ ARG A 55 5.459 3.428 13.134 1.00 0.00 C ATOM 802 NH1 ARG A 55 5.238 2.150 13.408 1.00 0.00 N ATOM 803 NH2 ARG A 55 4.507 4.326 13.365 1.00 0.00 N ATOM 0 H ARG A 55 12.082 0.991 11.450 1.00 0.00 H new ATOM 0 HA ARG A 55 9.141 0.773 11.205 1.00 0.00 H new ATOM 0 HB2 ARG A 55 10.403 3.089 12.021 1.00 0.00 H new ATOM 0 HB3 ARG A 55 10.465 3.280 10.280 1.00 0.00 H new ATOM 0 HG2 ARG A 55 8.489 4.384 10.975 1.00 0.00 H new ATOM 0 HG3 ARG A 55 7.954 2.886 10.240 1.00 0.00 H new ATOM 0 HD2 ARG A 55 7.407 1.902 12.309 1.00 0.00 H new ATOM 0 HD3 ARG A 55 8.462 2.970 13.213 1.00 0.00 H new ATOM 0 HE ARG A 55 6.752 4.815 12.436 1.00 0.00 H new ATOM 0 HH11 ARG A 55 5.970 1.459 13.243 1.00 0.00 H new ATOM 0 HH12 ARG A 55 4.336 1.858 13.784 1.00 0.00 H new ATOM 0 HH21 ARG A 55 4.677 5.312 13.166 1.00 0.00 H new ATOM 0 HH22 ARG A 55 3.607 4.029 13.741 1.00 0.00 H new ATOM 817 N PRO A 56 9.334 0.684 8.658 1.00 0.00 N ATOM 818 CA PRO A 56 9.484 0.559 7.206 1.00 0.00 C ATOM 819 C PRO A 56 9.804 1.910 6.570 1.00 0.00 C ATOM 820 O PRO A 56 9.299 2.944 7.010 1.00 0.00 O ATOM 821 CB PRO A 56 8.113 0.058 6.740 1.00 0.00 C ATOM 822 CG PRO A 56 7.161 0.485 7.804 1.00 0.00 C ATOM 823 CD PRO A 56 7.939 0.473 9.091 1.00 0.00 C ATOM 0 HA PRO A 56 10.300 -0.107 6.926 1.00 0.00 H new ATOM 0 HB2 PRO A 56 7.844 0.487 5.775 1.00 0.00 H new ATOM 0 HB3 PRO A 56 8.109 -1.025 6.619 1.00 0.00 H new ATOM 0 HG2 PRO A 56 6.766 1.480 7.597 1.00 0.00 H new ATOM 0 HG3 PRO A 56 6.308 -0.192 7.858 1.00 0.00 H new ATOM 0 HD2 PRO A 56 7.606 1.260 9.767 1.00 0.00 H new ATOM 0 HD3 PRO A 56 7.823 -0.473 9.621 1.00 0.00 H new ATOM 831 N HIS A 57 10.644 1.912 5.547 1.00 0.00 N ATOM 832 CA HIS A 57 11.044 3.166 4.916 1.00 0.00 C ATOM 833 C HIS A 57 10.345 3.389 3.582 1.00 0.00 C ATOM 834 O HIS A 57 9.870 4.491 3.308 1.00 0.00 O ATOM 835 CB HIS A 57 12.559 3.222 4.713 1.00 0.00 C ATOM 836 CG HIS A 57 13.334 3.507 5.960 1.00 0.00 C ATOM 837 ND1 HIS A 57 14.387 2.863 6.508 1.00 0.00 N flip ATOM 838 CD2 HIS A 57 13.061 4.569 6.794 1.00 0.00 C flip ATOM 839 CE1 HIS A 57 14.732 3.541 7.649 1.00 0.00 C flip ATOM 840 NE2 HIS A 57 13.916 4.566 7.798 1.00 0.00 N flip ATOM 0 H HIS A 57 11.058 1.074 5.139 1.00 0.00 H new ATOM 0 HA HIS A 57 10.741 3.963 5.595 1.00 0.00 H new ATOM 0 HB2 HIS A 57 12.894 2.271 4.299 1.00 0.00 H new ATOM 0 HB3 HIS A 57 12.787 3.989 3.973 1.00 0.00 H new ATOM 0 HD2 HIS A 57 12.271 5.291 6.648 1.00 0.00 H new ATOM 0 HE1 HIS A 57 15.540 3.278 8.316 1.00 0.00 H new ATOM 0 HE2 HIS A 57 13.942 5.242 8.561 1.00 0.00 H new ATOM 849 N LEU A 58 10.287 2.335 2.767 1.00 0.00 N ATOM 850 CA LEU A 58 9.792 2.425 1.388 1.00 0.00 C ATOM 851 C LEU A 58 10.753 3.238 0.523 1.00 0.00 C ATOM 852 O LEU A 58 11.391 4.186 0.987 1.00 0.00 O ATOM 853 CB LEU A 58 8.372 3.006 1.328 1.00 0.00 C ATOM 854 CG LEU A 58 7.279 2.118 1.931 1.00 0.00 C ATOM 855 CD1 LEU A 58 5.925 2.800 1.820 1.00 0.00 C ATOM 856 CD2 LEU A 58 7.254 0.759 1.245 1.00 0.00 C ATOM 0 H LEU A 58 10.580 1.397 3.040 1.00 0.00 H new ATOM 0 HA LEU A 58 9.742 1.412 0.990 1.00 0.00 H new ATOM 0 HB2 LEU A 58 8.366 3.965 1.847 1.00 0.00 H new ATOM 0 HB3 LEU A 58 8.122 3.206 0.286 1.00 0.00 H new ATOM 0 HG LEU A 58 7.502 1.962 2.986 1.00 0.00 H new ATOM 0 HD11 LEU A 58 5.158 2.158 2.252 1.00 0.00 H new ATOM 0 HD12 LEU A 58 5.950 3.748 2.357 1.00 0.00 H new ATOM 0 HD13 LEU A 58 5.695 2.984 0.770 1.00 0.00 H new ATOM 0 HD21 LEU A 58 6.471 0.143 1.687 1.00 0.00 H new ATOM 0 HD22 LEU A 58 7.054 0.892 0.182 1.00 0.00 H new ATOM 0 HD23 LEU A 58 8.219 0.268 1.374 1.00 0.00 H new ATOM 868 N TYR A 59 10.878 2.842 -0.730 1.00 0.00 N ATOM 869 CA TYR A 59 11.801 3.489 -1.647 1.00 0.00 C ATOM 870 C TYR A 59 11.175 3.592 -3.022 1.00 0.00 C ATOM 871 O TYR A 59 10.112 3.027 -3.261 1.00 0.00 O ATOM 872 CB TYR A 59 13.119 2.707 -1.728 1.00 0.00 C ATOM 873 CG TYR A 59 13.894 2.694 -0.431 1.00 0.00 C ATOM 874 CD1 TYR A 59 14.629 3.802 -0.034 1.00 0.00 C ATOM 875 CD2 TYR A 59 13.876 1.586 0.405 1.00 0.00 C ATOM 876 CE1 TYR A 59 15.326 3.806 1.154 1.00 0.00 C ATOM 877 CE2 TYR A 59 14.571 1.583 1.601 1.00 0.00 C ATOM 878 CZ TYR A 59 15.294 2.697 1.969 1.00 0.00 C ATOM 879 OH TYR A 59 15.985 2.708 3.161 1.00 0.00 O ATOM 0 H TYR A 59 10.349 2.071 -1.139 1.00 0.00 H new ATOM 0 HA TYR A 59 12.015 4.491 -1.275 1.00 0.00 H new ATOM 0 HB2 TYR A 59 12.905 1.680 -2.024 1.00 0.00 H new ATOM 0 HB3 TYR A 59 13.742 3.141 -2.510 1.00 0.00 H new ATOM 0 HD1 TYR A 59 14.655 4.676 -0.667 1.00 0.00 H new ATOM 0 HD2 TYR A 59 13.310 0.712 0.117 1.00 0.00 H new ATOM 0 HE1 TYR A 59 15.896 4.676 1.445 1.00 0.00 H new ATOM 0 HE2 TYR A 59 14.547 0.714 2.242 1.00 0.00 H new ATOM 0 HH TYR A 59 15.860 1.851 3.619 1.00 0.00 H new ATOM 889 N LYS A 60 11.849 4.286 -3.931 1.00 0.00 N ATOM 890 CA LYS A 60 11.348 4.456 -5.295 1.00 0.00 C ATOM 891 C LYS A 60 11.534 3.165 -6.088 1.00 0.00 C ATOM 892 O LYS A 60 11.225 3.091 -7.277 1.00 0.00 O ATOM 893 CB LYS A 60 12.063 5.624 -5.984 1.00 0.00 C ATOM 894 CG LYS A 60 12.014 6.913 -5.177 1.00 0.00 C ATOM 895 CD LYS A 60 12.568 8.101 -5.944 1.00 0.00 C ATOM 896 CE LYS A 60 12.607 9.341 -5.064 1.00 0.00 C ATOM 897 NZ LYS A 60 13.027 10.552 -5.814 1.00 0.00 N ATOM 0 H LYS A 60 12.744 4.741 -3.751 1.00 0.00 H new ATOM 0 HA LYS A 60 10.283 4.685 -5.253 1.00 0.00 H new ATOM 0 HB2 LYS A 60 13.104 5.352 -6.160 1.00 0.00 H new ATOM 0 HB3 LYS A 60 11.609 5.796 -6.960 1.00 0.00 H new ATOM 0 HG2 LYS A 60 10.983 7.119 -4.890 1.00 0.00 H new ATOM 0 HG3 LYS A 60 12.582 6.783 -4.256 1.00 0.00 H new ATOM 0 HD2 LYS A 60 13.572 7.872 -6.303 1.00 0.00 H new ATOM 0 HD3 LYS A 60 11.952 8.292 -6.822 1.00 0.00 H new ATOM 0 HE2 LYS A 60 11.620 9.508 -4.632 1.00 0.00 H new ATOM 0 HE3 LYS A 60 13.294 9.174 -4.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 13.039 11.371 -5.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 13.979 10.405 -6.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 12.358 10.729 -6.590 1.00 0.00 H new ATOM 911 N LEU A 61 12.060 2.162 -5.404 1.00 0.00 N ATOM 912 CA LEU A 61 12.202 0.821 -5.940 1.00 0.00 C ATOM 913 C LEU A 61 12.021 -0.164 -4.788 1.00 0.00 C ATOM 914 O LEU A 61 12.741 -1.155 -4.663 1.00 0.00 O ATOM 915 CB LEU A 61 13.583 0.656 -6.582 1.00 0.00 C ATOM 916 CG LEU A 61 13.603 -0.105 -7.910 1.00 0.00 C ATOM 917 CD1 LEU A 61 15.017 -0.174 -8.455 1.00 0.00 C ATOM 918 CD2 LEU A 61 13.029 -1.503 -7.755 1.00 0.00 C ATOM 0 H LEU A 61 12.404 2.259 -4.449 1.00 0.00 H new ATOM 0 HA LEU A 61 11.454 0.634 -6.710 1.00 0.00 H new ATOM 0 HB2 LEU A 61 14.010 1.646 -6.743 1.00 0.00 H new ATOM 0 HB3 LEU A 61 14.233 0.139 -5.877 1.00 0.00 H new ATOM 0 HG LEU A 61 12.976 0.438 -8.617 1.00 0.00 H new ATOM 0 HD11 LEU A 61 15.017 -0.718 -9.400 1.00 0.00 H new ATOM 0 HD12 LEU A 61 15.394 0.836 -8.618 1.00 0.00 H new ATOM 0 HD13 LEU A 61 15.658 -0.690 -7.740 1.00 0.00 H new ATOM 0 HD21 LEU A 61 13.058 -2.017 -8.716 1.00 0.00 H new ATOM 0 HD22 LEU A 61 13.620 -2.060 -7.028 1.00 0.00 H new ATOM 0 HD23 LEU A 61 11.997 -1.436 -7.410 1.00 0.00 H new ATOM 930 N GLY A 62 11.040 0.130 -3.943 1.00 0.00 N ATOM 931 CA GLY A 62 10.853 -0.628 -2.724 1.00 0.00 C ATOM 932 C GLY A 62 9.871 -1.778 -2.856 1.00 0.00 C ATOM 933 O GLY A 62 10.278 -2.905 -3.120 1.00 0.00 O ATOM 0 H GLY A 62 10.368 0.885 -4.083 1.00 0.00 H new ATOM 0 HA2 GLY A 62 11.817 -1.022 -2.402 1.00 0.00 H new ATOM 0 HA3 GLY A 62 10.506 0.045 -1.940 1.00 0.00 H new ATOM 937 N PRO A 63 8.569 -1.516 -2.667 1.00 0.00 N ATOM 938 CA PRO A 63 7.548 -2.565 -2.590 1.00 0.00 C ATOM 939 C PRO A 63 7.043 -3.043 -3.951 1.00 0.00 C ATOM 940 O PRO A 63 7.172 -2.354 -4.962 1.00 0.00 O ATOM 941 CB PRO A 63 6.430 -1.873 -1.815 1.00 0.00 C ATOM 942 CG PRO A 63 6.525 -0.440 -2.222 1.00 0.00 C ATOM 943 CD PRO A 63 7.980 -0.171 -2.517 1.00 0.00 C ATOM 0 HA PRO A 63 7.937 -3.473 -2.129 1.00 0.00 H new ATOM 0 HB2 PRO A 63 5.455 -2.293 -2.064 1.00 0.00 H new ATOM 0 HB3 PRO A 63 6.562 -1.990 -0.739 1.00 0.00 H new ATOM 0 HG2 PRO A 63 5.909 -0.245 -3.100 1.00 0.00 H new ATOM 0 HG3 PRO A 63 6.164 0.213 -1.428 1.00 0.00 H new ATOM 0 HD2 PRO A 63 8.100 0.421 -3.424 1.00 0.00 H new ATOM 0 HD3 PRO A 63 8.455 0.385 -1.709 1.00 0.00 H new ATOM 951 N GLU A 64 6.468 -4.240 -3.951 1.00 0.00 N ATOM 952 CA GLU A 64 5.866 -4.823 -5.141 1.00 0.00 C ATOM 953 C GLU A 64 4.455 -5.307 -4.816 1.00 0.00 C ATOM 954 O GLU A 64 4.214 -5.855 -3.742 1.00 0.00 O ATOM 955 CB GLU A 64 6.712 -5.996 -5.652 1.00 0.00 C ATOM 956 CG GLU A 64 8.134 -5.614 -6.024 1.00 0.00 C ATOM 957 CD GLU A 64 8.944 -6.792 -6.527 1.00 0.00 C ATOM 958 OE1 GLU A 64 8.825 -7.129 -7.725 1.00 0.00 O ATOM 959 OE2 GLU A 64 9.704 -7.383 -5.728 1.00 0.00 O ATOM 0 H GLU A 64 6.407 -4.833 -3.124 1.00 0.00 H new ATOM 0 HA GLU A 64 5.820 -4.062 -5.920 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.743 -6.770 -4.885 1.00 0.00 H new ATOM 0 HB3 GLU A 64 6.223 -6.431 -6.524 1.00 0.00 H new ATOM 0 HG2 GLU A 64 8.109 -4.841 -6.792 1.00 0.00 H new ATOM 0 HG3 GLU A 64 8.629 -5.183 -5.154 1.00 0.00 H new ATOM 966 N LEU A 65 3.523 -5.100 -5.734 1.00 0.00 N ATOM 967 CA LEU A 65 2.141 -5.513 -5.517 1.00 0.00 C ATOM 968 C LEU A 65 1.910 -6.920 -6.047 1.00 0.00 C ATOM 969 O LEU A 65 2.420 -7.286 -7.106 1.00 0.00 O ATOM 970 CB LEU A 65 1.154 -4.549 -6.192 1.00 0.00 C ATOM 971 CG LEU A 65 1.015 -3.165 -5.548 1.00 0.00 C ATOM 972 CD1 LEU A 65 2.211 -2.279 -5.863 1.00 0.00 C ATOM 973 CD2 LEU A 65 -0.280 -2.504 -6.000 1.00 0.00 C ATOM 0 H LEU A 65 3.695 -4.651 -6.633 1.00 0.00 H new ATOM 0 HA LEU A 65 1.965 -5.497 -4.441 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.460 -4.415 -7.229 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.171 -5.020 -6.208 1.00 0.00 H new ATOM 0 HG LEU A 65 0.984 -3.298 -4.467 1.00 0.00 H new ATOM 0 HD11 LEU A 65 2.078 -1.306 -5.390 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.120 -2.746 -5.483 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.294 -2.150 -6.942 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.368 -1.522 -5.536 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.273 -2.394 -7.084 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.127 -3.123 -5.703 1.00 0.00 H new ATOM 985 N THR A 66 1.143 -7.707 -5.309 1.00 0.00 N ATOM 986 CA THR A 66 0.778 -9.037 -5.756 1.00 0.00 C ATOM 987 C THR A 66 -0.496 -8.958 -6.586 1.00 0.00 C ATOM 988 O THR A 66 -1.141 -7.904 -6.640 1.00 0.00 O ATOM 989 CB THR A 66 0.561 -9.994 -4.565 1.00 0.00 C ATOM 990 OG1 THR A 66 -0.534 -9.538 -3.758 1.00 0.00 O ATOM 991 CG2 THR A 66 1.817 -10.091 -3.710 1.00 0.00 C ATOM 0 H THR A 66 0.763 -7.446 -4.399 1.00 0.00 H new ATOM 0 HA THR A 66 1.596 -9.431 -6.359 1.00 0.00 H new ATOM 0 HB THR A 66 0.332 -10.982 -4.963 1.00 0.00 H new ATOM 0 HG1 THR A 66 -0.520 -10.003 -2.895 1.00 0.00 H new ATOM 0 HG21 THR A 66 1.639 -10.771 -2.877 1.00 0.00 H new ATOM 0 HG22 THR A 66 2.641 -10.467 -4.316 1.00 0.00 H new ATOM 0 HG23 THR A 66 2.072 -9.104 -3.324 1.00 0.00 H new ATOM 999 N GLU A 67 -0.868 -10.058 -7.233 1.00 0.00 N ATOM 1000 CA GLU A 67 -2.095 -10.084 -8.018 1.00 0.00 C ATOM 1001 C GLU A 67 -3.301 -9.916 -7.111 1.00 0.00 C ATOM 1002 O GLU A 67 -4.351 -9.461 -7.548 1.00 0.00 O ATOM 1003 CB GLU A 67 -2.230 -11.380 -8.817 1.00 0.00 C ATOM 1004 CG GLU A 67 -1.134 -11.594 -9.844 1.00 0.00 C ATOM 1005 CD GLU A 67 0.139 -12.140 -9.229 1.00 0.00 C ATOM 1006 OE1 GLU A 67 0.155 -13.331 -8.851 1.00 0.00 O ATOM 1007 OE2 GLU A 67 1.123 -11.385 -9.108 1.00 0.00 O ATOM 0 H GLU A 67 -0.344 -10.933 -7.230 1.00 0.00 H new ATOM 0 HA GLU A 67 -2.048 -9.255 -8.725 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -2.233 -12.222 -8.125 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -3.194 -11.382 -9.325 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -1.488 -12.283 -10.610 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -0.917 -10.649 -10.341 1.00 0.00 H new ATOM 1014 N LYS A 68 -3.135 -10.273 -5.843 1.00 0.00 N ATOM 1015 CA LYS A 68 -4.184 -10.089 -4.853 1.00 0.00 C ATOM 1016 C LYS A 68 -4.550 -8.608 -4.763 1.00 0.00 C ATOM 1017 O LYS A 68 -5.721 -8.234 -4.849 1.00 0.00 O ATOM 1018 CB LYS A 68 -3.720 -10.596 -3.485 1.00 0.00 C ATOM 1019 CG LYS A 68 -4.694 -11.555 -2.812 1.00 0.00 C ATOM 1020 CD LYS A 68 -6.084 -10.956 -2.679 1.00 0.00 C ATOM 1021 CE LYS A 68 -7.005 -11.861 -1.873 1.00 0.00 C ATOM 1022 NZ LYS A 68 -7.119 -13.222 -2.461 1.00 0.00 N ATOM 0 H LYS A 68 -2.280 -10.693 -5.477 1.00 0.00 H new ATOM 0 HA LYS A 68 -5.061 -10.660 -5.157 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -2.758 -11.095 -3.602 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -3.558 -9.741 -2.829 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -4.751 -12.478 -3.389 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -4.317 -11.820 -1.824 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -6.017 -9.981 -2.197 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -6.508 -10.793 -3.670 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -6.631 -11.939 -0.852 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -7.995 -11.409 -1.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -7.857 -13.756 -1.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -7.371 -13.146 -3.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -6.209 -13.717 -2.369 1.00 0.00 H new ATOM 1036 N GLY A 69 -3.528 -7.772 -4.612 1.00 0.00 N ATOM 1037 CA GLY A 69 -3.738 -6.340 -4.540 1.00 0.00 C ATOM 1038 C GLY A 69 -4.124 -5.753 -5.882 1.00 0.00 C ATOM 1039 O GLY A 69 -5.019 -4.914 -5.965 1.00 0.00 O ATOM 0 H GLY A 69 -2.553 -8.064 -4.538 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -4.520 -6.125 -3.812 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -2.828 -5.858 -4.182 1.00 0.00 H new ATOM 1043 N GLU A 70 -3.452 -6.207 -6.934 1.00 0.00 N ATOM 1044 CA GLU A 70 -3.698 -5.712 -8.285 1.00 0.00 C ATOM 1045 C GLU A 70 -5.133 -6.015 -8.712 1.00 0.00 C ATOM 1046 O GLU A 70 -5.826 -5.152 -9.252 1.00 0.00 O ATOM 1047 CB GLU A 70 -2.688 -6.344 -9.254 1.00 0.00 C ATOM 1048 CG GLU A 70 -2.548 -5.621 -10.591 1.00 0.00 C ATOM 1049 CD GLU A 70 -3.696 -5.887 -11.545 1.00 0.00 C ATOM 1050 OE1 GLU A 70 -4.095 -7.060 -11.688 1.00 0.00 O ATOM 1051 OE2 GLU A 70 -4.199 -4.926 -12.171 1.00 0.00 O ATOM 0 H GLU A 70 -2.727 -6.922 -6.877 1.00 0.00 H new ATOM 0 HA GLU A 70 -3.569 -4.630 -8.302 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -1.712 -6.376 -8.770 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -2.984 -7.376 -9.444 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -2.478 -4.549 -10.410 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -1.615 -5.926 -11.064 1.00 0.00 H new ATOM 1058 N ASN A 71 -5.588 -7.234 -8.440 1.00 0.00 N ATOM 1059 CA ASN A 71 -6.945 -7.632 -8.793 1.00 0.00 C ATOM 1060 C ASN A 71 -7.965 -6.963 -7.874 1.00 0.00 C ATOM 1061 O ASN A 71 -9.142 -6.872 -8.205 1.00 0.00 O ATOM 1062 CB ASN A 71 -7.127 -9.155 -8.743 1.00 0.00 C ATOM 1063 CG ASN A 71 -6.601 -9.879 -9.978 1.00 0.00 C ATOM 1064 OD1 ASN A 71 -5.451 -9.466 -10.496 1.00 0.00 O flip ATOM 1065 ND2 ASN A 71 -7.218 -10.838 -10.448 1.00 0.00 N flip ATOM 0 H ASN A 71 -5.040 -7.960 -7.979 1.00 0.00 H new ATOM 0 HA ASN A 71 -7.114 -7.303 -9.818 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -6.618 -9.544 -7.861 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -8.187 -9.381 -8.625 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -8.100 -11.132 -10.028 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -6.846 -11.337 -11.256 1.00 0.00 H new ATOM 1072 N TYR A 72 -7.514 -6.504 -6.715 1.00 0.00 N ATOM 1073 CA TYR A 72 -8.385 -5.795 -5.787 1.00 0.00 C ATOM 1074 C TYR A 72 -8.637 -4.368 -6.278 1.00 0.00 C ATOM 1075 O TYR A 72 -9.694 -3.785 -6.023 1.00 0.00 O ATOM 1076 CB TYR A 72 -7.755 -5.781 -4.391 1.00 0.00 C ATOM 1077 CG TYR A 72 -8.650 -5.218 -3.312 1.00 0.00 C ATOM 1078 CD1 TYR A 72 -9.806 -5.885 -2.927 1.00 0.00 C ATOM 1079 CD2 TYR A 72 -8.337 -4.025 -2.671 1.00 0.00 C ATOM 1080 CE1 TYR A 72 -10.626 -5.377 -1.937 1.00 0.00 C ATOM 1081 CE2 TYR A 72 -9.151 -3.512 -1.681 1.00 0.00 C ATOM 1082 CZ TYR A 72 -10.295 -4.190 -1.316 1.00 0.00 C ATOM 1083 OH TYR A 72 -11.111 -3.679 -0.329 1.00 0.00 O ATOM 0 H TYR A 72 -6.551 -6.609 -6.395 1.00 0.00 H new ATOM 0 HA TYR A 72 -9.343 -6.312 -5.734 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -7.476 -6.799 -4.121 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -6.835 -5.197 -4.426 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -10.068 -6.815 -3.409 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -7.442 -3.490 -2.952 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -11.522 -5.907 -1.651 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -8.893 -2.583 -1.194 1.00 0.00 H new ATOM 0 HH TYR A 72 -10.734 -2.838 0.005 1.00 0.00 H new ATOM 1093 N LEU A 73 -7.671 -3.824 -7.006 1.00 0.00 N ATOM 1094 CA LEU A 73 -7.758 -2.456 -7.512 1.00 0.00 C ATOM 1095 C LEU A 73 -8.797 -2.332 -8.627 1.00 0.00 C ATOM 1096 O LEU A 73 -9.317 -1.244 -8.870 1.00 0.00 O ATOM 1097 CB LEU A 73 -6.395 -1.992 -8.041 1.00 0.00 C ATOM 1098 CG LEU A 73 -5.251 -1.992 -7.021 1.00 0.00 C ATOM 1099 CD1 LEU A 73 -3.933 -1.661 -7.700 1.00 0.00 C ATOM 1100 CD2 LEU A 73 -5.528 -1.002 -5.898 1.00 0.00 C ATOM 0 H LEU A 73 -6.812 -4.311 -7.262 1.00 0.00 H new ATOM 0 HA LEU A 73 -8.065 -1.824 -6.679 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -6.113 -2.633 -8.876 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -6.504 -0.982 -8.437 1.00 0.00 H new ATOM 0 HG LEU A 73 -5.181 -2.991 -6.590 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -3.132 -1.665 -6.961 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -3.722 -2.405 -8.468 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -3.998 -0.674 -8.159 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -4.703 -1.019 -5.186 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -5.628 0.001 -6.313 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -6.452 -1.278 -5.389 1.00 0.00 H new ATOM 1112 N LYS A 74 -9.105 -3.454 -9.283 1.00 0.00 N ATOM 1113 CA LYS A 74 -9.971 -3.455 -10.467 1.00 0.00 C ATOM 1114 C LYS A 74 -11.285 -2.708 -10.221 1.00 0.00 C ATOM 1115 O LYS A 74 -11.543 -1.665 -10.826 1.00 0.00 O ATOM 1116 CB LYS A 74 -10.301 -4.888 -10.897 1.00 0.00 C ATOM 1117 CG LYS A 74 -9.101 -5.808 -11.060 1.00 0.00 C ATOM 1118 CD LYS A 74 -8.206 -5.415 -12.221 1.00 0.00 C ATOM 1119 CE LYS A 74 -7.209 -6.524 -12.518 1.00 0.00 C ATOM 1120 NZ LYS A 74 -6.212 -6.134 -13.546 1.00 0.00 N ATOM 0 H LYS A 74 -8.766 -4.378 -9.013 1.00 0.00 H new ATOM 0 HA LYS A 74 -9.418 -2.943 -11.254 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -10.976 -5.325 -10.161 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -10.841 -4.851 -11.843 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -8.517 -5.801 -10.140 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -9.451 -6.830 -11.208 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -8.812 -5.215 -13.105 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -7.675 -4.493 -11.984 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -6.690 -6.797 -11.599 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -7.746 -7.410 -12.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -5.666 -6.971 -13.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -6.703 -5.739 -14.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -5.568 -5.419 -13.151 1.00 0.00 H new ATOM 1134 N GLU A 75 -12.103 -3.239 -9.322 1.00 0.00 N ATOM 1135 CA GLU A 75 -13.449 -2.721 -9.103 1.00 0.00 C ATOM 1136 C GLU A 75 -13.433 -1.429 -8.291 1.00 0.00 C ATOM 1137 O GLU A 75 -14.294 -0.567 -8.463 1.00 0.00 O ATOM 1138 CB GLU A 75 -14.301 -3.769 -8.382 1.00 0.00 C ATOM 1139 CG GLU A 75 -14.423 -5.084 -9.135 1.00 0.00 C ATOM 1140 CD GLU A 75 -15.088 -4.925 -10.482 1.00 0.00 C ATOM 1141 OE1 GLU A 75 -16.332 -5.025 -10.545 1.00 0.00 O ATOM 1142 OE2 GLU A 75 -14.375 -4.711 -11.483 1.00 0.00 O ATOM 0 H GLU A 75 -11.857 -4.032 -8.729 1.00 0.00 H new ATOM 0 HA GLU A 75 -13.880 -2.500 -10.079 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -13.869 -3.962 -7.400 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -15.298 -3.362 -8.217 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -13.430 -5.512 -9.273 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -14.995 -5.791 -8.533 1.00 0.00 H new ATOM 1149 N ASN A 76 -12.445 -1.289 -7.421 1.00 0.00 N ATOM 1150 CA ASN A 76 -12.404 -0.163 -6.493 1.00 0.00 C ATOM 1151 C ASN A 76 -11.622 1.004 -7.096 1.00 0.00 C ATOM 1152 O ASN A 76 -11.446 2.033 -6.452 1.00 0.00 O ATOM 1153 CB ASN A 76 -11.776 -0.612 -5.161 1.00 0.00 C ATOM 1154 CG ASN A 76 -12.280 0.164 -3.947 1.00 0.00 C ATOM 1155 OD1 ASN A 76 -12.418 -0.400 -2.862 1.00 0.00 O ATOM 1156 ND2 ASN A 76 -12.536 1.454 -4.103 1.00 0.00 N ATOM 0 H ASN A 76 -11.662 -1.937 -7.336 1.00 0.00 H new ATOM 0 HA ASN A 76 -13.422 0.179 -6.305 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -11.981 -1.672 -5.013 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -10.693 -0.503 -5.226 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -12.858 2.010 -3.310 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -12.412 1.892 -5.016 1.00 0.00 H new ATOM 1163 N GLY A 77 -11.184 0.838 -8.344 1.00 0.00 N ATOM 1164 CA GLY A 77 -10.368 1.840 -9.026 1.00 0.00 C ATOM 1165 C GLY A 77 -10.900 3.268 -8.953 1.00 0.00 C ATOM 1166 O GLY A 77 -10.123 4.213 -9.038 1.00 0.00 O ATOM 0 H GLY A 77 -11.384 0.011 -8.907 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -9.365 1.820 -8.600 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -10.274 1.557 -10.074 1.00 0.00 H new ATOM 1170 N THR A 78 -12.211 3.427 -8.797 1.00 0.00 N ATOM 1171 CA THR A 78 -12.824 4.750 -8.724 1.00 0.00 C ATOM 1172 C THR A 78 -12.369 5.533 -7.471 1.00 0.00 C ATOM 1173 O THR A 78 -11.433 6.332 -7.555 1.00 0.00 O ATOM 1174 CB THR A 78 -14.372 4.651 -8.818 1.00 0.00 C ATOM 1175 OG1 THR A 78 -15.003 5.805 -8.248 1.00 0.00 O ATOM 1176 CG2 THR A 78 -14.905 3.381 -8.159 1.00 0.00 C ATOM 0 H THR A 78 -12.871 2.654 -8.718 1.00 0.00 H new ATOM 0 HA THR A 78 -12.477 5.320 -9.586 1.00 0.00 H new ATOM 0 HB THR A 78 -14.619 4.607 -9.879 1.00 0.00 H new ATOM 0 HG1 THR A 78 -15.976 5.716 -8.323 1.00 0.00 H new ATOM 0 HG21 THR A 78 -15.991 3.353 -8.248 1.00 0.00 H new ATOM 0 HG22 THR A 78 -14.478 2.508 -8.653 1.00 0.00 H new ATOM 0 HG23 THR A 78 -14.627 3.374 -7.105 1.00 0.00 H new ATOM 1184 N TRP A 79 -13.031 5.314 -6.325 1.00 0.00 N ATOM 1185 CA TRP A 79 -12.643 5.934 -5.050 1.00 0.00 C ATOM 1186 C TRP A 79 -12.858 7.459 -5.082 1.00 0.00 C ATOM 1187 O TRP A 79 -13.245 8.030 -6.101 1.00 0.00 O ATOM 1188 CB TRP A 79 -11.180 5.585 -4.719 1.00 0.00 C ATOM 1189 CG TRP A 79 -10.727 5.988 -3.342 1.00 0.00 C ATOM 1190 CD1 TRP A 79 -9.861 6.997 -3.027 1.00 0.00 C ATOM 1191 CD2 TRP A 79 -11.109 5.387 -2.097 1.00 0.00 C ATOM 1192 NE1 TRP A 79 -9.694 7.069 -1.665 1.00 0.00 N ATOM 1193 CE2 TRP A 79 -10.447 6.091 -1.072 1.00 0.00 C ATOM 1194 CE3 TRP A 79 -11.951 4.327 -1.748 1.00 0.00 C ATOM 1195 CZ2 TRP A 79 -10.600 5.766 0.275 1.00 0.00 C ATOM 1196 CZ3 TRP A 79 -12.100 4.004 -0.413 1.00 0.00 C ATOM 1197 CH2 TRP A 79 -11.431 4.722 0.585 1.00 0.00 C ATOM 0 H TRP A 79 -13.846 4.705 -6.256 1.00 0.00 H new ATOM 0 HA TRP A 79 -13.282 5.534 -4.263 1.00 0.00 H new ATOM 0 HB2 TRP A 79 -11.045 4.509 -4.829 1.00 0.00 H new ATOM 0 HB3 TRP A 79 -10.533 6.065 -5.453 1.00 0.00 H new ATOM 0 HD1 TRP A 79 -9.378 7.644 -3.744 1.00 0.00 H new ATOM 0 HE1 TRP A 79 -9.105 7.742 -1.175 1.00 0.00 H new ATOM 0 HE3 TRP A 79 -12.476 3.770 -2.509 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 -10.082 6.317 1.046 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 -12.744 3.183 -0.135 1.00 0.00 H new ATOM 0 HH2 TRP A 79 -11.573 4.448 1.620 1.00 0.00 H new ATOM 1208 N SER A 80 -12.634 8.113 -3.950 1.00 0.00 N ATOM 1209 CA SER A 80 -12.761 9.556 -3.851 1.00 0.00 C ATOM 1210 C SER A 80 -11.740 10.106 -2.862 1.00 0.00 C ATOM 1211 O SER A 80 -11.731 9.717 -1.697 1.00 0.00 O ATOM 1212 CB SER A 80 -14.173 9.929 -3.412 1.00 0.00 C ATOM 1213 OG SER A 80 -15.136 9.492 -4.358 1.00 0.00 O ATOM 0 H SER A 80 -12.360 7.658 -3.079 1.00 0.00 H new ATOM 0 HA SER A 80 -12.571 9.994 -4.831 1.00 0.00 H new ATOM 0 HB2 SER A 80 -14.385 9.482 -2.441 1.00 0.00 H new ATOM 0 HB3 SER A 80 -14.245 11.010 -3.288 1.00 0.00 H new ATOM 0 HG SER A 80 -16.033 9.742 -4.052 1.00 0.00 H new ATOM 1219 N LYS A 81 -10.879 11.002 -3.331 1.00 0.00 N ATOM 1220 CA LYS A 81 -9.829 11.565 -2.484 1.00 0.00 C ATOM 1221 C LYS A 81 -10.362 12.671 -1.573 1.00 0.00 C ATOM 1222 O LYS A 81 -9.659 13.144 -0.680 1.00 0.00 O ATOM 1223 CB LYS A 81 -8.658 12.080 -3.346 1.00 0.00 C ATOM 1224 CG LYS A 81 -9.029 13.120 -4.409 1.00 0.00 C ATOM 1225 CD LYS A 81 -9.255 14.504 -3.812 1.00 0.00 C ATOM 1226 CE LYS A 81 -9.409 15.568 -4.891 1.00 0.00 C ATOM 1227 NZ LYS A 81 -9.714 16.904 -4.317 1.00 0.00 N ATOM 0 H LYS A 81 -10.885 11.354 -4.288 1.00 0.00 H new ATOM 0 HA LYS A 81 -9.463 10.766 -1.839 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -7.907 12.513 -2.686 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -8.193 11.228 -3.843 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -8.235 13.174 -5.154 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -9.932 12.799 -4.928 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -10.148 14.489 -3.187 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -8.417 14.762 -3.165 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -8.491 15.626 -5.476 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -10.206 15.277 -5.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -9.627 17.628 -5.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -10.684 16.907 -3.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -9.045 17.113 -3.549 1.00 0.00 H new ATOM 1241 N ALA A 82 -11.604 13.077 -1.791 1.00 0.00 N ATOM 1242 CA ALA A 82 -12.186 14.169 -1.029 1.00 0.00 C ATOM 1243 C ALA A 82 -13.532 13.780 -0.436 1.00 0.00 C ATOM 1244 O ALA A 82 -14.518 13.642 -1.160 1.00 0.00 O ATOM 1245 CB ALA A 82 -12.334 15.401 -1.905 1.00 0.00 C ATOM 0 H ALA A 82 -12.226 12.667 -2.488 1.00 0.00 H new ATOM 0 HA ALA A 82 -11.511 14.396 -0.204 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -12.771 16.212 -1.322 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -11.354 15.706 -2.273 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -12.983 15.171 -2.750 1.00 0.00 H new TER 1251 ALA A 82