USER MOD reduce.3.24.130724 H: found=0, std=0, add=531, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 533 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 45 TYR OH : rot -75:sc= 0.491 USER MOD Set 1.2: A 68 LYS NZ :NH3+ -139:sc= 2.02 (180deg=0.0988) USER MOD Set 2.1: A 57 HIS : no HD1:sc= -0.0506 X(o=0.03,f=0.015) USER MOD Set 2.2: A 59 TYR OH : rot 74:sc= 0.0807 USER MOD Set 3.1: A 41 LYS NZ :NH3+ -166:sc= 0.987 (180deg=-0.0879) USER MOD Set 3.2: A 51 TYR OH : rot 30:sc= 0.703 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 158:sc= 1.42 (180deg=1.15) USER MOD Single : A 18 ASN : amide:sc= -0.302 K(o=-0.3,f=-1.1) USER MOD Single : A 19 THR OG1 : rot 18:sc= 0.736 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= 0.89 K(o=0.89,f=-0.056) USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.0409 USER MOD Single : A 32 GLN : amide:sc= -1.35! K(o=-1.3!,f=-0.033) USER MOD Single : A 38 ASN : amide:sc= 1.16 K(o=1.2,f=-0.11) USER MOD Single : A 50 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 60 LYS NZ :NH3+ 170:sc= -0.0211 (180deg=-0.184) USER MOD Single : A 66 THR OG1 : rot -139:sc= 1.93 USER MOD Single : A 71 ASN : amide:sc= -1.44 K(o=-1.4,f=0) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 23 N LEU A 6 -8.650 3.186 3.312 1.00 0.00 N ATOM 24 CA LEU A 6 -7.267 3.622 3.240 1.00 0.00 C ATOM 25 C LEU A 6 -6.389 2.530 2.657 1.00 0.00 C ATOM 26 O LEU A 6 -5.392 2.816 2.001 1.00 0.00 O ATOM 27 CB LEU A 6 -6.745 4.033 4.624 1.00 0.00 C ATOM 28 CG LEU A 6 -7.524 5.151 5.332 1.00 0.00 C ATOM 29 CD1 LEU A 6 -7.945 6.230 4.347 1.00 0.00 C ATOM 30 CD2 LEU A 6 -8.730 4.592 6.075 1.00 0.00 C ATOM 0 HA LEU A 6 -7.228 4.492 2.584 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -6.746 3.153 5.267 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -5.707 4.350 4.520 1.00 0.00 H new ATOM 0 HG LEU A 6 -6.860 5.607 6.066 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -8.495 7.010 4.874 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -7.060 6.662 3.881 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -8.583 5.793 3.579 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -9.263 5.405 6.567 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -9.396 4.097 5.368 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -8.395 3.873 6.823 1.00 0.00 H new ATOM 42 N ARG A 7 -6.772 1.279 2.888 1.00 0.00 N ATOM 43 CA ARG A 7 -6.030 0.139 2.358 1.00 0.00 C ATOM 44 C ARG A 7 -5.911 0.232 0.839 1.00 0.00 C ATOM 45 O ARG A 7 -4.859 -0.057 0.267 1.00 0.00 O ATOM 46 CB ARG A 7 -6.720 -1.168 2.750 1.00 0.00 C ATOM 47 CG ARG A 7 -5.827 -2.129 3.519 1.00 0.00 C ATOM 48 CD ARG A 7 -5.317 -1.518 4.817 1.00 0.00 C ATOM 49 NE ARG A 7 -6.400 -1.219 5.755 1.00 0.00 N ATOM 50 CZ ARG A 7 -6.263 -1.217 7.084 1.00 0.00 C ATOM 51 NH1 ARG A 7 -5.097 -1.531 7.639 1.00 0.00 N ATOM 52 NH2 ARG A 7 -7.300 -0.907 7.852 1.00 0.00 N ATOM 0 H ARG A 7 -7.593 1.028 3.439 1.00 0.00 H new ATOM 0 HA ARG A 7 -5.027 0.154 2.785 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -7.596 -0.937 3.356 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -7.078 -1.663 1.848 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -6.382 -3.041 3.741 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -4.980 -2.415 2.895 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -4.612 -2.204 5.286 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -4.770 -0.602 4.594 1.00 0.00 H new ATOM 0 HE ARG A 7 -7.318 -0.998 5.369 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -4.301 -1.775 7.050 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -4.998 -1.528 8.654 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -8.197 -0.672 7.427 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -7.200 -0.904 8.867 1.00 0.00 H new ATOM 66 N TYR A 8 -6.994 0.653 0.195 1.00 0.00 N ATOM 67 CA TYR A 8 -7.006 0.845 -1.248 1.00 0.00 C ATOM 68 C TYR A 8 -6.199 2.079 -1.636 1.00 0.00 C ATOM 69 O TYR A 8 -5.439 2.059 -2.608 1.00 0.00 O ATOM 70 CB TYR A 8 -8.447 0.979 -1.748 1.00 0.00 C ATOM 71 CG TYR A 8 -8.558 1.440 -3.185 1.00 0.00 C ATOM 72 CD1 TYR A 8 -8.168 0.618 -4.232 1.00 0.00 C ATOM 73 CD2 TYR A 8 -9.043 2.705 -3.491 1.00 0.00 C ATOM 74 CE1 TYR A 8 -8.258 1.044 -5.542 1.00 0.00 C ATOM 75 CE2 TYR A 8 -9.133 3.138 -4.799 1.00 0.00 C ATOM 76 CZ TYR A 8 -8.743 2.305 -5.819 1.00 0.00 C ATOM 77 OH TYR A 8 -8.823 2.737 -7.123 1.00 0.00 O ATOM 0 H TYR A 8 -7.879 0.869 0.654 1.00 0.00 H new ATOM 0 HA TYR A 8 -6.546 -0.026 -1.715 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -8.947 0.016 -1.646 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -8.979 1.684 -1.109 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -7.788 -0.370 -4.019 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -9.355 3.361 -2.692 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -7.950 0.393 -6.346 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -9.508 4.127 -5.019 1.00 0.00 H new ATOM 0 HH TYR A 8 -9.187 3.647 -7.144 1.00 0.00 H new ATOM 87 N ALA A 9 -6.364 3.146 -0.862 1.00 0.00 N ATOM 88 CA ALA A 9 -5.705 4.413 -1.143 1.00 0.00 C ATOM 89 C ALA A 9 -4.190 4.260 -1.146 1.00 0.00 C ATOM 90 O ALA A 9 -3.508 4.798 -2.020 1.00 0.00 O ATOM 91 CB ALA A 9 -6.137 5.466 -0.135 1.00 0.00 C ATOM 0 H ALA A 9 -6.953 3.156 -0.030 1.00 0.00 H new ATOM 0 HA ALA A 9 -6.006 4.738 -2.139 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -5.637 6.409 -0.357 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -7.216 5.605 -0.194 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -5.868 5.140 0.870 1.00 0.00 H new ATOM 97 N ILE A 10 -3.669 3.512 -0.175 1.00 0.00 N ATOM 98 CA ILE A 10 -2.236 3.273 -0.081 1.00 0.00 C ATOM 99 C ILE A 10 -1.731 2.567 -1.337 1.00 0.00 C ATOM 100 O ILE A 10 -0.800 3.036 -1.988 1.00 0.00 O ATOM 101 CB ILE A 10 -1.873 2.424 1.161 1.00 0.00 C ATOM 102 CG1 ILE A 10 -2.353 3.106 2.448 1.00 0.00 C ATOM 103 CG2 ILE A 10 -0.369 2.185 1.223 1.00 0.00 C ATOM 104 CD1 ILE A 10 -1.675 4.427 2.735 1.00 0.00 C ATOM 0 H ILE A 10 -4.220 3.063 0.556 1.00 0.00 H new ATOM 0 HA ILE A 10 -1.755 4.246 0.016 1.00 0.00 H new ATOM 0 HB ILE A 10 -2.378 1.462 1.072 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -3.429 3.269 2.381 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -2.184 2.433 3.288 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -0.132 1.586 2.102 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -0.047 1.656 0.326 1.00 0.00 H new ATOM 0 HG23 ILE A 10 0.149 3.142 1.285 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -2.070 4.845 3.661 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -0.601 4.270 2.836 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -1.865 5.119 1.915 1.00 0.00 H new ATOM 116 N LEU A 11 -2.374 1.456 -1.682 1.00 0.00 N ATOM 117 CA LEU A 11 -1.971 0.658 -2.838 1.00 0.00 C ATOM 118 C LEU A 11 -2.018 1.477 -4.123 1.00 0.00 C ATOM 119 O LEU A 11 -1.104 1.411 -4.943 1.00 0.00 O ATOM 120 CB LEU A 11 -2.871 -0.572 -2.981 1.00 0.00 C ATOM 121 CG LEU A 11 -2.729 -1.619 -1.879 1.00 0.00 C ATOM 122 CD1 LEU A 11 -3.708 -2.758 -2.103 1.00 0.00 C ATOM 123 CD2 LEU A 11 -1.305 -2.148 -1.832 1.00 0.00 C ATOM 0 H LEU A 11 -3.179 1.086 -1.177 1.00 0.00 H new ATOM 0 HA LEU A 11 -0.943 0.336 -2.671 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -3.909 -0.240 -3.012 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -2.659 -1.047 -3.939 1.00 0.00 H new ATOM 0 HG LEU A 11 -2.956 -1.149 -0.922 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -3.595 -3.496 -1.309 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -4.726 -2.369 -2.095 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -3.507 -3.227 -3.066 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -1.220 -2.893 -1.041 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -1.055 -2.604 -2.790 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -0.618 -1.326 -1.631 1.00 0.00 H new ATOM 135 N LYS A 12 -3.082 2.253 -4.288 1.00 0.00 N ATOM 136 CA LYS A 12 -3.254 3.054 -5.490 1.00 0.00 C ATOM 137 C LYS A 12 -2.139 4.094 -5.610 1.00 0.00 C ATOM 138 O LYS A 12 -1.564 4.281 -6.686 1.00 0.00 O ATOM 139 CB LYS A 12 -4.618 3.747 -5.483 1.00 0.00 C ATOM 140 CG LYS A 12 -5.012 4.309 -6.841 1.00 0.00 C ATOM 141 CD LYS A 12 -5.476 5.754 -6.744 1.00 0.00 C ATOM 142 CE LYS A 12 -4.393 6.643 -6.151 1.00 0.00 C ATOM 143 NZ LYS A 12 -4.676 8.089 -6.343 1.00 0.00 N ATOM 0 H LYS A 12 -3.835 2.344 -3.606 1.00 0.00 H new ATOM 0 HA LYS A 12 -3.203 2.388 -6.351 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -5.378 3.037 -5.157 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -4.604 4.556 -4.753 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -4.162 4.245 -7.521 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -5.808 3.700 -7.269 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -5.747 6.119 -7.735 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -6.373 5.810 -6.128 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -4.298 6.433 -5.086 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -3.435 6.399 -6.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -4.151 8.642 -5.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -4.380 8.377 -7.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -5.695 8.261 -6.230 1.00 0.00 H new ATOM 157 N GLU A 13 -1.830 4.763 -4.501 1.00 0.00 N ATOM 158 CA GLU A 13 -0.773 5.770 -4.482 1.00 0.00 C ATOM 159 C GLU A 13 0.594 5.136 -4.713 1.00 0.00 C ATOM 160 O GLU A 13 1.489 5.766 -5.274 1.00 0.00 O ATOM 161 CB GLU A 13 -0.780 6.540 -3.160 1.00 0.00 C ATOM 162 CG GLU A 13 -1.928 7.529 -3.027 1.00 0.00 C ATOM 163 CD GLU A 13 -1.870 8.632 -4.067 1.00 0.00 C ATOM 164 OE1 GLU A 13 -0.767 9.159 -4.323 1.00 0.00 O ATOM 165 OE2 GLU A 13 -2.931 8.990 -4.624 1.00 0.00 O ATOM 0 H GLU A 13 -2.297 4.625 -3.605 1.00 0.00 H new ATOM 0 HA GLU A 13 -0.968 6.470 -5.295 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -0.830 5.828 -2.337 1.00 0.00 H new ATOM 0 HB3 GLU A 13 0.163 7.078 -3.059 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -2.874 6.996 -3.120 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -1.908 7.972 -2.031 1.00 0.00 H new ATOM 172 N ILE A 14 0.754 3.891 -4.276 1.00 0.00 N ATOM 173 CA ILE A 14 1.983 3.149 -4.530 1.00 0.00 C ATOM 174 C ILE A 14 2.143 2.883 -6.025 1.00 0.00 C ATOM 175 O ILE A 14 3.215 3.091 -6.590 1.00 0.00 O ATOM 176 CB ILE A 14 2.009 1.801 -3.767 1.00 0.00 C ATOM 177 CG1 ILE A 14 2.057 2.044 -2.257 1.00 0.00 C ATOM 178 CG2 ILE A 14 3.197 0.951 -4.204 1.00 0.00 C ATOM 179 CD1 ILE A 14 2.003 0.773 -1.435 1.00 0.00 C ATOM 0 H ILE A 14 0.051 3.376 -3.746 1.00 0.00 H new ATOM 0 HA ILE A 14 2.810 3.763 -4.172 1.00 0.00 H new ATOM 0 HB ILE A 14 1.095 1.258 -4.006 1.00 0.00 H new ATOM 0 HG12 ILE A 14 2.971 2.585 -2.014 1.00 0.00 H new ATOM 0 HG13 ILE A 14 1.222 2.685 -1.974 1.00 0.00 H new ATOM 0 HG21 ILE A 14 3.193 0.010 -3.654 1.00 0.00 H new ATOM 0 HG22 ILE A 14 3.125 0.747 -5.272 1.00 0.00 H new ATOM 0 HG23 ILE A 14 4.123 1.487 -3.999 1.00 0.00 H new ATOM 0 HD11 ILE A 14 2.041 1.023 -0.375 1.00 0.00 H new ATOM 0 HD12 ILE A 14 1.076 0.240 -1.649 1.00 0.00 H new ATOM 0 HD13 ILE A 14 2.853 0.139 -1.689 1.00 0.00 H new ATOM 191 N PHE A 15 1.058 2.455 -6.657 1.00 0.00 N ATOM 192 CA PHE A 15 1.086 2.058 -8.059 1.00 0.00 C ATOM 193 C PHE A 15 1.459 3.231 -8.970 1.00 0.00 C ATOM 194 O PHE A 15 2.365 3.120 -9.800 1.00 0.00 O ATOM 195 CB PHE A 15 -0.280 1.488 -8.460 1.00 0.00 C ATOM 196 CG PHE A 15 -0.300 0.836 -9.814 1.00 0.00 C ATOM 197 CD1 PHE A 15 0.233 -0.431 -9.992 1.00 0.00 C ATOM 198 CD2 PHE A 15 -0.849 1.487 -10.907 1.00 0.00 C ATOM 199 CE1 PHE A 15 0.220 -1.037 -11.233 1.00 0.00 C ATOM 200 CE2 PHE A 15 -0.865 0.886 -12.153 1.00 0.00 C ATOM 201 CZ PHE A 15 -0.328 -0.377 -12.316 1.00 0.00 C ATOM 0 H PHE A 15 0.141 2.374 -6.217 1.00 0.00 H new ATOM 0 HA PHE A 15 1.852 1.292 -8.180 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -0.591 0.758 -7.713 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -1.016 2.292 -8.445 1.00 0.00 H new ATOM 0 HD1 PHE A 15 0.664 -0.951 -9.149 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -1.269 2.474 -10.785 1.00 0.00 H new ATOM 0 HE1 PHE A 15 0.638 -2.025 -11.357 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -1.297 1.403 -12.997 1.00 0.00 H new ATOM 0 HZ PHE A 15 -0.337 -0.847 -13.288 1.00 0.00 H new ATOM 211 N GLU A 16 0.786 4.365 -8.806 1.00 0.00 N ATOM 212 CA GLU A 16 1.035 5.512 -9.673 1.00 0.00 C ATOM 213 C GLU A 16 2.169 6.385 -9.134 1.00 0.00 C ATOM 214 O GLU A 16 2.737 7.199 -9.863 1.00 0.00 O ATOM 215 CB GLU A 16 -0.233 6.351 -9.857 1.00 0.00 C ATOM 216 CG GLU A 16 -0.750 6.994 -8.582 1.00 0.00 C ATOM 217 CD GLU A 16 -1.886 7.958 -8.852 1.00 0.00 C ATOM 218 OE1 GLU A 16 -1.611 9.137 -9.160 1.00 0.00 O ATOM 219 OE2 GLU A 16 -3.058 7.545 -8.766 1.00 0.00 O ATOM 0 H GLU A 16 0.074 4.514 -8.091 1.00 0.00 H new ATOM 0 HA GLU A 16 1.337 5.121 -10.645 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -0.033 7.134 -10.589 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -1.016 5.717 -10.273 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -1.089 6.217 -7.896 1.00 0.00 H new ATOM 0 HG3 GLU A 16 0.064 7.523 -8.087 1.00 0.00 H new ATOM 226 N GLY A 17 2.497 6.210 -7.862 1.00 0.00 N ATOM 227 CA GLY A 17 3.550 7.001 -7.257 1.00 0.00 C ATOM 228 C GLY A 17 4.919 6.371 -7.416 1.00 0.00 C ATOM 229 O GLY A 17 5.932 7.072 -7.413 1.00 0.00 O ATOM 0 H GLY A 17 2.054 5.535 -7.238 1.00 0.00 H new ATOM 0 HA2 GLY A 17 3.557 7.994 -7.707 1.00 0.00 H new ATOM 0 HA3 GLY A 17 3.336 7.133 -6.196 1.00 0.00 H new ATOM 233 N ASN A 18 4.943 5.039 -7.524 1.00 0.00 N ATOM 234 CA ASN A 18 6.187 4.275 -7.694 1.00 0.00 C ATOM 235 C ASN A 18 7.035 4.337 -6.418 1.00 0.00 C ATOM 236 O ASN A 18 8.197 3.925 -6.405 1.00 0.00 O ATOM 237 CB ASN A 18 6.970 4.793 -8.911 1.00 0.00 C ATOM 238 CG ASN A 18 8.157 3.919 -9.283 1.00 0.00 C ATOM 239 OD1 ASN A 18 8.154 2.710 -9.057 1.00 0.00 O ATOM 240 ND2 ASN A 18 9.179 4.524 -9.869 1.00 0.00 N ATOM 0 H ASN A 18 4.104 4.459 -7.496 1.00 0.00 H new ATOM 0 HA ASN A 18 5.935 3.230 -7.876 1.00 0.00 H new ATOM 0 HB2 ASN A 18 6.296 4.860 -9.765 1.00 0.00 H new ATOM 0 HB3 ASN A 18 7.323 5.803 -8.703 1.00 0.00 H new ATOM 0 HD21 ASN A 18 9.999 3.985 -10.149 1.00 0.00 H new ATOM 0 HD22 ASN A 18 9.147 5.529 -10.041 1.00 0.00 H new ATOM 247 N THR A 19 6.417 4.839 -5.342 1.00 0.00 N ATOM 248 CA THR A 19 7.044 4.990 -4.020 1.00 0.00 C ATOM 249 C THR A 19 8.349 5.804 -4.055 1.00 0.00 C ATOM 250 O THR A 19 8.926 6.040 -5.114 1.00 0.00 O ATOM 251 CB THR A 19 7.275 3.626 -3.314 1.00 0.00 C ATOM 252 OG1 THR A 19 7.953 2.695 -4.162 1.00 0.00 O ATOM 253 CG2 THR A 19 5.956 3.027 -2.867 1.00 0.00 C ATOM 0 H THR A 19 5.449 5.158 -5.365 1.00 0.00 H new ATOM 0 HA THR A 19 6.325 5.559 -3.431 1.00 0.00 H new ATOM 0 HB THR A 19 7.904 3.820 -2.445 1.00 0.00 H new ATOM 0 HG1 THR A 19 8.390 3.178 -4.894 1.00 0.00 H new ATOM 0 HG21 THR A 19 6.138 2.072 -2.375 1.00 0.00 H new ATOM 0 HG22 THR A 19 5.465 3.707 -2.170 1.00 0.00 H new ATOM 0 HG23 THR A 19 5.315 2.871 -3.734 1.00 0.00 H new ATOM 261 N PRO A 20 8.805 6.300 -2.893 1.00 0.00 N ATOM 262 CA PRO A 20 8.094 6.168 -1.616 1.00 0.00 C ATOM 263 C PRO A 20 6.964 7.184 -1.487 1.00 0.00 C ATOM 264 O PRO A 20 6.986 8.230 -2.137 1.00 0.00 O ATOM 265 CB PRO A 20 9.181 6.467 -0.591 1.00 0.00 C ATOM 266 CG PRO A 20 10.094 7.417 -1.281 1.00 0.00 C ATOM 267 CD PRO A 20 10.070 7.043 -2.739 1.00 0.00 C ATOM 0 HA PRO A 20 7.625 5.191 -1.500 1.00 0.00 H new ATOM 0 HB2 PRO A 20 8.762 6.906 0.315 1.00 0.00 H new ATOM 0 HB3 PRO A 20 9.705 5.559 -0.292 1.00 0.00 H new ATOM 0 HG2 PRO A 20 9.764 8.446 -1.138 1.00 0.00 H new ATOM 0 HG3 PRO A 20 11.104 7.347 -0.878 1.00 0.00 H new ATOM 0 HD2 PRO A 20 10.096 7.925 -3.378 1.00 0.00 H new ATOM 0 HD3 PRO A 20 10.929 6.429 -3.008 1.00 0.00 H new ATOM 275 N LEU A 21 5.978 6.878 -0.662 1.00 0.00 N ATOM 276 CA LEU A 21 4.916 7.830 -0.381 1.00 0.00 C ATOM 277 C LEU A 21 4.818 8.053 1.116 1.00 0.00 C ATOM 278 O LEU A 21 4.838 7.103 1.897 1.00 0.00 O ATOM 279 CB LEU A 21 3.556 7.366 -0.934 1.00 0.00 C ATOM 280 CG LEU A 21 2.906 6.175 -0.220 1.00 0.00 C ATOM 281 CD1 LEU A 21 1.401 6.172 -0.450 1.00 0.00 C ATOM 282 CD2 LEU A 21 3.508 4.866 -0.699 1.00 0.00 C ATOM 0 H LEU A 21 5.890 5.985 -0.178 1.00 0.00 H new ATOM 0 HA LEU A 21 5.167 8.764 -0.883 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.865 8.208 -0.895 1.00 0.00 H new ATOM 0 HB3 LEU A 21 3.684 7.107 -1.985 1.00 0.00 H new ATOM 0 HG LEU A 21 3.099 6.275 0.848 1.00 0.00 H new ATOM 0 HD11 LEU A 21 0.956 5.320 0.064 1.00 0.00 H new ATOM 0 HD12 LEU A 21 0.972 7.095 -0.061 1.00 0.00 H new ATOM 0 HD13 LEU A 21 1.196 6.099 -1.518 1.00 0.00 H new ATOM 0 HD21 LEU A 21 3.032 4.035 -0.179 1.00 0.00 H new ATOM 0 HD22 LEU A 21 3.347 4.763 -1.772 1.00 0.00 H new ATOM 0 HD23 LEU A 21 4.578 4.860 -0.490 1.00 0.00 H new ATOM 294 N SER A 22 4.751 9.304 1.515 1.00 0.00 N ATOM 295 CA SER A 22 4.614 9.634 2.916 1.00 0.00 C ATOM 296 C SER A 22 3.147 9.598 3.322 1.00 0.00 C ATOM 297 O SER A 22 2.254 9.639 2.468 1.00 0.00 O ATOM 298 CB SER A 22 5.208 11.014 3.182 1.00 0.00 C ATOM 299 OG SER A 22 6.510 11.109 2.633 1.00 0.00 O ATOM 0 H SER A 22 4.789 10.109 0.890 1.00 0.00 H new ATOM 0 HA SER A 22 5.155 8.898 3.511 1.00 0.00 H new ATOM 0 HB2 SER A 22 4.567 11.782 2.748 1.00 0.00 H new ATOM 0 HB3 SER A 22 5.245 11.199 4.255 1.00 0.00 H new ATOM 0 HG SER A 22 6.876 12.001 2.811 1.00 0.00 H new ATOM 305 N GLU A 23 2.906 9.532 4.620 1.00 0.00 N ATOM 306 CA GLU A 23 1.554 9.508 5.155 1.00 0.00 C ATOM 307 C GLU A 23 0.828 10.814 4.844 1.00 0.00 C ATOM 308 O GLU A 23 -0.381 10.825 4.615 1.00 0.00 O ATOM 309 CB GLU A 23 1.583 9.231 6.666 1.00 0.00 C ATOM 310 CG GLU A 23 2.946 9.446 7.319 1.00 0.00 C ATOM 311 CD GLU A 23 3.359 10.902 7.390 1.00 0.00 C ATOM 312 OE1 GLU A 23 3.841 11.439 6.370 1.00 0.00 O ATOM 313 OE2 GLU A 23 3.197 11.518 8.469 1.00 0.00 O ATOM 0 H GLU A 23 3.637 9.494 5.330 1.00 0.00 H new ATOM 0 HA GLU A 23 1.002 8.700 4.674 1.00 0.00 H new ATOM 0 HB2 GLU A 23 0.853 9.876 7.156 1.00 0.00 H new ATOM 0 HB3 GLU A 23 1.268 8.202 6.841 1.00 0.00 H new ATOM 0 HG2 GLU A 23 2.926 9.033 8.327 1.00 0.00 H new ATOM 0 HG3 GLU A 23 3.699 8.890 6.761 1.00 0.00 H new ATOM 320 N ASN A 24 1.579 11.907 4.811 1.00 0.00 N ATOM 321 CA ASN A 24 1.031 13.210 4.441 1.00 0.00 C ATOM 322 C ASN A 24 0.578 13.224 2.982 1.00 0.00 C ATOM 323 O ASN A 24 -0.413 13.868 2.635 1.00 0.00 O ATOM 324 CB ASN A 24 2.057 14.323 4.675 1.00 0.00 C ATOM 325 CG ASN A 24 2.214 14.697 6.138 1.00 0.00 C ATOM 326 OD1 ASN A 24 1.527 15.590 6.641 1.00 0.00 O ATOM 327 ND2 ASN A 24 3.113 14.024 6.834 1.00 0.00 N ATOM 0 H ASN A 24 2.574 11.919 5.037 1.00 0.00 H new ATOM 0 HA ASN A 24 0.164 13.391 5.077 1.00 0.00 H new ATOM 0 HB2 ASN A 24 3.023 14.005 4.283 1.00 0.00 H new ATOM 0 HB3 ASN A 24 1.759 15.207 4.111 1.00 0.00 H new ATOM 0 HD21 ASN A 24 3.257 14.236 7.821 1.00 0.00 H new ATOM 0 HD22 ASN A 24 3.663 13.292 6.384 1.00 0.00 H new ATOM 334 N ASP A 25 1.298 12.498 2.133 1.00 0.00 N ATOM 335 CA ASP A 25 0.969 12.442 0.710 1.00 0.00 C ATOM 336 C ASP A 25 -0.343 11.706 0.482 1.00 0.00 C ATOM 337 O ASP A 25 -1.184 12.145 -0.302 1.00 0.00 O ATOM 338 CB ASP A 25 2.083 11.765 -0.092 1.00 0.00 C ATOM 339 CG ASP A 25 3.193 12.721 -0.470 1.00 0.00 C ATOM 340 OD1 ASP A 25 3.098 13.351 -1.546 1.00 0.00 O ATOM 341 OD2 ASP A 25 4.170 12.845 0.300 1.00 0.00 O ATOM 0 H ASP A 25 2.110 11.942 2.402 1.00 0.00 H new ATOM 0 HA ASP A 25 0.864 13.470 0.363 1.00 0.00 H new ATOM 0 HB2 ASP A 25 2.499 10.944 0.493 1.00 0.00 H new ATOM 0 HB3 ASP A 25 1.660 11.329 -0.997 1.00 0.00 H new ATOM 346 N ILE A 26 -0.515 10.591 1.174 1.00 0.00 N ATOM 347 CA ILE A 26 -1.728 9.801 1.035 1.00 0.00 C ATOM 348 C ILE A 26 -2.867 10.443 1.840 1.00 0.00 C ATOM 349 O ILE A 26 -4.040 10.319 1.491 1.00 0.00 O ATOM 350 CB ILE A 26 -1.470 8.325 1.450 1.00 0.00 C ATOM 351 CG1 ILE A 26 -2.642 7.403 1.060 1.00 0.00 C ATOM 352 CG2 ILE A 26 -1.167 8.221 2.937 1.00 0.00 C ATOM 353 CD1 ILE A 26 -3.781 7.353 2.062 1.00 0.00 C ATOM 0 H ILE A 26 0.165 10.214 1.834 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.033 9.787 -0.011 1.00 0.00 H new ATOM 0 HB ILE A 26 -0.594 7.984 0.899 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -3.038 7.731 0.099 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -2.258 6.393 0.919 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.991 7.178 3.200 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -0.279 8.809 3.169 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -2.014 8.601 3.508 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -4.556 6.678 1.698 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -3.407 6.993 3.020 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -4.199 8.352 2.188 1.00 0.00 H new ATOM 365 N GLY A 27 -2.511 11.164 2.900 1.00 0.00 N ATOM 366 CA GLY A 27 -3.495 11.924 3.645 1.00 0.00 C ATOM 367 C GLY A 27 -3.971 11.221 4.903 1.00 0.00 C ATOM 368 O GLY A 27 -5.136 11.342 5.282 1.00 0.00 O ATOM 0 H GLY A 27 -1.557 11.234 3.255 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -3.068 12.890 3.916 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -4.352 12.123 3.002 1.00 0.00 H new ATOM 372 N VAL A 28 -3.079 10.477 5.543 1.00 0.00 N ATOM 373 CA VAL A 28 -3.394 9.798 6.794 1.00 0.00 C ATOM 374 C VAL A 28 -2.261 9.993 7.786 1.00 0.00 C ATOM 375 O VAL A 28 -1.236 10.595 7.458 1.00 0.00 O ATOM 376 CB VAL A 28 -3.638 8.278 6.601 1.00 0.00 C ATOM 377 CG1 VAL A 28 -4.807 8.024 5.665 1.00 0.00 C ATOM 378 CG2 VAL A 28 -2.381 7.586 6.089 1.00 0.00 C ATOM 0 H VAL A 28 -2.125 10.327 5.214 1.00 0.00 H new ATOM 0 HA VAL A 28 -4.316 10.240 7.171 1.00 0.00 H new ATOM 0 HB VAL A 28 -3.888 7.857 7.575 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -4.954 6.950 5.549 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -5.710 8.471 6.081 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -4.597 8.469 4.692 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -2.578 6.521 5.962 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -2.092 8.019 5.131 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -1.572 7.722 6.807 1.00 0.00 H new ATOM 388 N THR A 29 -2.448 9.502 8.993 1.00 0.00 N ATOM 389 CA THR A 29 -1.402 9.544 9.992 1.00 0.00 C ATOM 390 C THR A 29 -0.462 8.360 9.807 1.00 0.00 C ATOM 391 O THR A 29 -0.846 7.343 9.222 1.00 0.00 O ATOM 392 CB THR A 29 -1.991 9.530 11.410 1.00 0.00 C ATOM 393 OG1 THR A 29 -2.884 8.418 11.561 1.00 0.00 O ATOM 394 CG2 THR A 29 -2.735 10.826 11.702 1.00 0.00 C ATOM 0 H THR A 29 -3.317 9.068 9.306 1.00 0.00 H new ATOM 0 HA THR A 29 -0.845 10.472 9.865 1.00 0.00 H new ATOM 0 HB THR A 29 -1.168 9.434 12.118 1.00 0.00 H new ATOM 0 HG1 THR A 29 -3.253 8.416 12.469 1.00 0.00 H new ATOM 0 HG21 THR A 29 -3.143 10.792 12.712 1.00 0.00 H new ATOM 0 HG22 THR A 29 -2.047 11.667 11.617 1.00 0.00 H new ATOM 0 HG23 THR A 29 -3.548 10.948 10.986 1.00 0.00 H new ATOM 402 N GLU A 30 0.763 8.486 10.294 1.00 0.00 N ATOM 403 CA GLU A 30 1.757 7.438 10.111 1.00 0.00 C ATOM 404 C GLU A 30 1.404 6.179 10.905 1.00 0.00 C ATOM 405 O GLU A 30 1.860 5.089 10.570 1.00 0.00 O ATOM 406 CB GLU A 30 3.172 7.946 10.437 1.00 0.00 C ATOM 407 CG GLU A 30 3.298 8.757 11.719 1.00 0.00 C ATOM 408 CD GLU A 30 3.270 7.900 12.960 1.00 0.00 C ATOM 409 OE1 GLU A 30 4.218 7.108 13.154 1.00 0.00 O ATOM 410 OE2 GLU A 30 2.305 8.011 13.741 1.00 0.00 O ATOM 0 H GLU A 30 1.092 9.298 10.816 1.00 0.00 H new ATOM 0 HA GLU A 30 1.749 7.159 9.057 1.00 0.00 H new ATOM 0 HB2 GLU A 30 3.841 7.088 10.503 1.00 0.00 H new ATOM 0 HB3 GLU A 30 3.520 8.558 9.605 1.00 0.00 H new ATOM 0 HG2 GLU A 30 4.229 9.323 11.695 1.00 0.00 H new ATOM 0 HG3 GLU A 30 2.486 9.482 11.766 1.00 0.00 H new ATOM 417 N ASP A 31 0.571 6.327 11.932 1.00 0.00 N ATOM 418 CA ASP A 31 0.058 5.169 12.663 1.00 0.00 C ATOM 419 C ASP A 31 -0.860 4.354 11.765 1.00 0.00 C ATOM 420 O ASP A 31 -0.766 3.128 11.706 1.00 0.00 O ATOM 421 CB ASP A 31 -0.698 5.599 13.922 1.00 0.00 C ATOM 422 CG ASP A 31 -1.169 4.410 14.745 1.00 0.00 C ATOM 423 OD1 ASP A 31 -0.371 3.890 15.555 1.00 0.00 O ATOM 424 OD2 ASP A 31 -2.332 3.987 14.587 1.00 0.00 O ATOM 0 H ASP A 31 0.239 7.228 12.275 1.00 0.00 H new ATOM 0 HA ASP A 31 0.908 4.558 12.967 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -0.052 6.229 14.534 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -1.558 6.205 13.638 1.00 0.00 H new ATOM 429 N GLN A 32 -1.739 5.050 11.049 1.00 0.00 N ATOM 430 CA GLN A 32 -2.619 4.406 10.081 1.00 0.00 C ATOM 431 C GLN A 32 -1.809 3.878 8.906 1.00 0.00 C ATOM 432 O GLN A 32 -2.184 2.895 8.272 1.00 0.00 O ATOM 433 CB GLN A 32 -3.686 5.379 9.572 1.00 0.00 C ATOM 434 CG GLN A 32 -4.716 5.778 10.615 1.00 0.00 C ATOM 435 CD GLN A 32 -5.801 6.672 10.042 1.00 0.00 C ATOM 436 OE1 GLN A 32 -6.370 7.511 10.741 1.00 0.00 O ATOM 437 NE2 GLN A 32 -6.099 6.496 8.763 1.00 0.00 N ATOM 0 H GLN A 32 -1.860 6.060 11.122 1.00 0.00 H new ATOM 0 HA GLN A 32 -3.118 3.576 10.582 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -3.194 6.278 9.201 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -4.201 4.925 8.725 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -5.172 4.881 11.034 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -4.218 6.295 11.435 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -5.605 5.790 8.217 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -6.822 7.066 8.325 1.00 0.00 H new ATOM 446 N PHE A 33 -0.701 4.549 8.614 1.00 0.00 N ATOM 447 CA PHE A 33 0.191 4.117 7.552 1.00 0.00 C ATOM 448 C PHE A 33 0.796 2.763 7.912 1.00 0.00 C ATOM 449 O PHE A 33 0.782 1.836 7.102 1.00 0.00 O ATOM 450 CB PHE A 33 1.290 5.159 7.330 1.00 0.00 C ATOM 451 CG PHE A 33 2.032 4.998 6.032 1.00 0.00 C ATOM 452 CD1 PHE A 33 1.518 5.530 4.861 1.00 0.00 C ATOM 453 CD2 PHE A 33 3.240 4.318 5.982 1.00 0.00 C ATOM 454 CE1 PHE A 33 2.193 5.395 3.664 1.00 0.00 C ATOM 455 CE2 PHE A 33 3.921 4.178 4.786 1.00 0.00 C ATOM 456 CZ PHE A 33 3.394 4.715 3.626 1.00 0.00 C ATOM 0 H PHE A 33 -0.401 5.394 9.100 1.00 0.00 H new ATOM 0 HA PHE A 33 -0.373 4.014 6.625 1.00 0.00 H new ATOM 0 HB2 PHE A 33 0.845 6.154 7.361 1.00 0.00 H new ATOM 0 HB3 PHE A 33 2.002 5.102 8.153 1.00 0.00 H new ATOM 0 HD1 PHE A 33 0.576 6.058 4.884 1.00 0.00 H new ATOM 0 HD2 PHE A 33 3.653 3.894 6.885 1.00 0.00 H new ATOM 0 HE1 PHE A 33 1.783 5.820 2.760 1.00 0.00 H new ATOM 0 HE2 PHE A 33 4.863 3.650 4.758 1.00 0.00 H new ATOM 0 HZ PHE A 33 3.922 4.603 2.690 1.00 0.00 H new ATOM 466 N ASP A 34 1.313 2.660 9.139 1.00 0.00 N ATOM 467 CA ASP A 34 1.804 1.388 9.667 1.00 0.00 C ATOM 468 C ASP A 34 0.724 0.318 9.580 1.00 0.00 C ATOM 469 O ASP A 34 0.945 -0.758 9.018 1.00 0.00 O ATOM 470 CB ASP A 34 2.248 1.536 11.127 1.00 0.00 C ATOM 471 CG ASP A 34 3.690 1.983 11.276 1.00 0.00 C ATOM 472 OD1 ASP A 34 4.591 1.127 11.177 1.00 0.00 O ATOM 473 OD2 ASP A 34 3.929 3.183 11.517 1.00 0.00 O ATOM 0 H ASP A 34 1.402 3.444 9.785 1.00 0.00 H new ATOM 0 HA ASP A 34 2.660 1.089 9.062 1.00 0.00 H new ATOM 0 HB2 ASP A 34 1.599 2.256 11.625 1.00 0.00 H new ATOM 0 HB3 ASP A 34 2.117 0.582 11.637 1.00 0.00 H new ATOM 478 N ASP A 35 -0.443 0.630 10.136 1.00 0.00 N ATOM 479 CA ASP A 35 -1.602 -0.267 10.108 1.00 0.00 C ATOM 480 C ASP A 35 -1.893 -0.773 8.694 1.00 0.00 C ATOM 481 O ASP A 35 -2.040 -1.977 8.472 1.00 0.00 O ATOM 482 CB ASP A 35 -2.824 0.465 10.685 1.00 0.00 C ATOM 483 CG ASP A 35 -4.155 -0.085 10.198 1.00 0.00 C ATOM 484 OD1 ASP A 35 -4.399 -1.301 10.330 1.00 0.00 O ATOM 485 OD2 ASP A 35 -4.965 0.706 9.671 1.00 0.00 O ATOM 0 H ASP A 35 -0.615 1.511 10.620 1.00 0.00 H new ATOM 0 HA ASP A 35 -1.377 -1.141 10.719 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -2.792 0.404 11.773 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -2.760 1.521 10.423 1.00 0.00 H new ATOM 490 N ALA A 36 -1.953 0.146 7.738 1.00 0.00 N ATOM 491 CA ALA A 36 -2.264 -0.207 6.362 1.00 0.00 C ATOM 492 C ALA A 36 -1.219 -1.147 5.774 1.00 0.00 C ATOM 493 O ALA A 36 -1.559 -2.231 5.303 1.00 0.00 O ATOM 494 CB ALA A 36 -2.396 1.039 5.503 1.00 0.00 C ATOM 0 H ALA A 36 -1.790 1.141 7.892 1.00 0.00 H new ATOM 0 HA ALA A 36 -3.220 -0.731 6.368 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -2.629 0.751 4.478 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -3.196 1.667 5.894 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -1.458 1.594 5.520 1.00 0.00 H new ATOM 500 N VAL A 37 0.050 -0.744 5.831 1.00 0.00 N ATOM 501 CA VAL A 37 1.128 -1.512 5.208 1.00 0.00 C ATOM 502 C VAL A 37 1.254 -2.905 5.826 1.00 0.00 C ATOM 503 O VAL A 37 1.495 -3.884 5.119 1.00 0.00 O ATOM 504 CB VAL A 37 2.483 -0.779 5.307 1.00 0.00 C ATOM 505 CG1 VAL A 37 3.587 -1.585 4.637 1.00 0.00 C ATOM 506 CG2 VAL A 37 2.388 0.605 4.685 1.00 0.00 C ATOM 0 H VAL A 37 0.357 0.108 6.301 1.00 0.00 H new ATOM 0 HA VAL A 37 0.865 -1.617 4.155 1.00 0.00 H new ATOM 0 HB VAL A 37 2.732 -0.670 6.363 1.00 0.00 H new ATOM 0 HG11 VAL A 37 4.532 -1.047 4.720 1.00 0.00 H new ATOM 0 HG12 VAL A 37 3.677 -2.555 5.126 1.00 0.00 H new ATOM 0 HG13 VAL A 37 3.344 -1.730 3.584 1.00 0.00 H new ATOM 0 HG21 VAL A 37 3.353 1.106 4.764 1.00 0.00 H new ATOM 0 HG22 VAL A 37 2.112 0.514 3.635 1.00 0.00 H new ATOM 0 HG23 VAL A 37 1.632 1.189 5.210 1.00 0.00 H new ATOM 516 N ASN A 38 1.076 -2.993 7.140 1.00 0.00 N ATOM 517 CA ASN A 38 1.124 -4.283 7.825 1.00 0.00 C ATOM 518 C ASN A 38 0.041 -5.213 7.295 1.00 0.00 C ATOM 519 O ASN A 38 0.315 -6.358 6.934 1.00 0.00 O ATOM 520 CB ASN A 38 0.962 -4.109 9.336 1.00 0.00 C ATOM 521 CG ASN A 38 2.270 -3.817 10.043 1.00 0.00 C ATOM 522 OD1 ASN A 38 2.969 -4.729 10.488 1.00 0.00 O ATOM 523 ND2 ASN A 38 2.605 -2.545 10.164 1.00 0.00 N ATOM 0 H ASN A 38 0.898 -2.194 7.749 1.00 0.00 H new ATOM 0 HA ASN A 38 2.100 -4.726 7.629 1.00 0.00 H new ATOM 0 HB2 ASN A 38 0.262 -3.296 9.529 1.00 0.00 H new ATOM 0 HB3 ASN A 38 0.523 -5.014 9.755 1.00 0.00 H new ATOM 0 HD21 ASN A 38 3.470 -2.288 10.640 1.00 0.00 H new ATOM 0 HD22 ASN A 38 1.999 -1.819 9.782 1.00 0.00 H new ATOM 530 N PHE A 39 -1.187 -4.707 7.227 1.00 0.00 N ATOM 531 CA PHE A 39 -2.313 -5.491 6.735 1.00 0.00 C ATOM 532 C PHE A 39 -2.127 -5.848 5.262 1.00 0.00 C ATOM 533 O PHE A 39 -2.456 -6.957 4.836 1.00 0.00 O ATOM 534 CB PHE A 39 -3.621 -4.720 6.936 1.00 0.00 C ATOM 535 CG PHE A 39 -4.841 -5.458 6.459 1.00 0.00 C ATOM 536 CD1 PHE A 39 -5.377 -6.493 7.207 1.00 0.00 C ATOM 537 CD2 PHE A 39 -5.452 -5.110 5.266 1.00 0.00 C ATOM 538 CE1 PHE A 39 -6.501 -7.170 6.771 1.00 0.00 C ATOM 539 CE2 PHE A 39 -6.575 -5.784 4.824 1.00 0.00 C ATOM 540 CZ PHE A 39 -7.100 -6.815 5.578 1.00 0.00 C ATOM 0 H PHE A 39 -1.427 -3.756 7.507 1.00 0.00 H new ATOM 0 HA PHE A 39 -2.359 -6.419 7.305 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -3.738 -4.491 7.995 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -3.555 -3.768 6.409 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -4.912 -6.774 8.140 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -5.046 -4.303 4.674 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -6.910 -7.976 7.363 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -7.041 -5.505 3.891 1.00 0.00 H new ATOM 0 HZ PHE A 39 -7.978 -7.343 5.235 1.00 0.00 H new ATOM 550 N LEU A 40 -1.588 -4.907 4.491 1.00 0.00 N ATOM 551 CA LEU A 40 -1.331 -5.131 3.072 1.00 0.00 C ATOM 552 C LEU A 40 -0.353 -6.281 2.876 1.00 0.00 C ATOM 553 O LEU A 40 -0.488 -7.074 1.948 1.00 0.00 O ATOM 554 CB LEU A 40 -0.773 -3.863 2.416 1.00 0.00 C ATOM 555 CG LEU A 40 -1.713 -2.654 2.412 1.00 0.00 C ATOM 556 CD1 LEU A 40 -1.014 -1.439 1.829 1.00 0.00 C ATOM 557 CD2 LEU A 40 -2.978 -2.963 1.631 1.00 0.00 C ATOM 0 H LEU A 40 -1.321 -3.981 4.826 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.278 -5.388 2.598 1.00 0.00 H new ATOM 0 HB2 LEU A 40 0.147 -3.584 2.930 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -0.505 -4.096 1.386 1.00 0.00 H new ATOM 0 HG LEU A 40 -1.990 -2.432 3.443 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -1.697 -0.589 1.834 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -0.135 -1.202 2.429 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.707 -1.652 0.805 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -3.633 -2.092 1.640 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.719 -3.212 0.602 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.492 -3.808 2.090 1.00 0.00 H new ATOM 569 N LYS A 41 0.629 -6.365 3.762 1.00 0.00 N ATOM 570 CA LYS A 41 1.631 -7.420 3.701 1.00 0.00 C ATOM 571 C LYS A 41 1.014 -8.762 4.095 1.00 0.00 C ATOM 572 O LYS A 41 1.290 -9.786 3.472 1.00 0.00 O ATOM 573 CB LYS A 41 2.818 -7.059 4.611 1.00 0.00 C ATOM 574 CG LYS A 41 4.028 -7.980 4.483 1.00 0.00 C ATOM 575 CD LYS A 41 3.928 -9.196 5.394 1.00 0.00 C ATOM 576 CE LYS A 41 3.859 -8.795 6.863 1.00 0.00 C ATOM 577 NZ LYS A 41 5.028 -7.971 7.277 1.00 0.00 N ATOM 0 H LYS A 41 0.754 -5.712 4.535 1.00 0.00 H new ATOM 0 HA LYS A 41 1.998 -7.513 2.679 1.00 0.00 H new ATOM 0 HB2 LYS A 41 3.131 -6.039 4.388 1.00 0.00 H new ATOM 0 HB3 LYS A 41 2.479 -7.070 5.647 1.00 0.00 H new ATOM 0 HG2 LYS A 41 4.122 -8.311 3.449 1.00 0.00 H new ATOM 0 HG3 LYS A 41 4.933 -7.422 4.723 1.00 0.00 H new ATOM 0 HD2 LYS A 41 3.042 -9.775 5.133 1.00 0.00 H new ATOM 0 HD3 LYS A 41 4.790 -9.843 5.233 1.00 0.00 H new ATOM 0 HE2 LYS A 41 2.941 -8.236 7.042 1.00 0.00 H new ATOM 0 HE3 LYS A 41 3.812 -9.692 7.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 5.067 -7.921 8.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 5.903 -8.404 6.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 4.932 -7.012 6.887 1.00 0.00 H new ATOM 591 N ARG A 42 0.162 -8.746 5.119 1.00 0.00 N ATOM 592 CA ARG A 42 -0.493 -9.967 5.595 1.00 0.00 C ATOM 593 C ARG A 42 -1.350 -10.596 4.498 1.00 0.00 C ATOM 594 O ARG A 42 -1.278 -11.800 4.251 1.00 0.00 O ATOM 595 CB ARG A 42 -1.370 -9.677 6.814 1.00 0.00 C ATOM 596 CG ARG A 42 -0.610 -9.119 8.005 1.00 0.00 C ATOM 597 CD ARG A 42 -1.529 -8.927 9.199 1.00 0.00 C ATOM 598 NE ARG A 42 -0.846 -8.304 10.335 1.00 0.00 N ATOM 599 CZ ARG A 42 -0.732 -8.869 11.536 1.00 0.00 C ATOM 600 NH1 ARG A 42 -1.256 -10.066 11.763 1.00 0.00 N ATOM 601 NH2 ARG A 42 -0.105 -8.232 12.517 1.00 0.00 N ATOM 0 H ARG A 42 -0.092 -7.904 5.635 1.00 0.00 H new ATOM 0 HA ARG A 42 0.294 -10.667 5.877 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -2.148 -8.969 6.529 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -1.871 -10.597 7.115 1.00 0.00 H new ATOM 0 HG2 ARG A 42 0.202 -9.796 8.272 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -0.155 -8.166 7.736 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -2.377 -8.309 8.905 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -1.929 -9.894 9.505 1.00 0.00 H new ATOM 0 HE ARG A 42 -0.433 -7.382 10.198 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -1.748 -10.557 11.017 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -1.167 -10.496 12.684 1.00 0.00 H new ATOM 0 HH21 ARG A 42 0.292 -7.307 12.353 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -0.020 -8.668 13.435 1.00 0.00 H new ATOM 615 N GLU A 43 -2.153 -9.769 3.839 1.00 0.00 N ATOM 616 CA GLU A 43 -3.039 -10.236 2.777 1.00 0.00 C ATOM 617 C GLU A 43 -2.308 -10.365 1.446 1.00 0.00 C ATOM 618 O GLU A 43 -2.922 -10.659 0.422 1.00 0.00 O ATOM 619 CB GLU A 43 -4.227 -9.292 2.630 1.00 0.00 C ATOM 620 CG GLU A 43 -5.424 -9.688 3.474 1.00 0.00 C ATOM 621 CD GLU A 43 -6.067 -10.973 2.992 1.00 0.00 C ATOM 622 OE1 GLU A 43 -5.583 -12.061 3.364 1.00 0.00 O ATOM 623 OE2 GLU A 43 -7.047 -10.898 2.220 1.00 0.00 O ATOM 0 H GLU A 43 -2.209 -8.767 4.022 1.00 0.00 H new ATOM 0 HA GLU A 43 -3.395 -11.227 3.058 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -3.916 -8.284 2.905 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -4.526 -9.258 1.582 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -5.111 -9.808 4.511 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -6.161 -8.886 3.454 1.00 0.00 H new ATOM 630 N GLY A 44 -1.001 -10.139 1.475 1.00 0.00 N ATOM 631 CA GLY A 44 -0.181 -10.320 0.292 1.00 0.00 C ATOM 632 C GLY A 44 -0.563 -9.392 -0.845 1.00 0.00 C ATOM 633 O GLY A 44 -0.687 -9.827 -1.987 1.00 0.00 O ATOM 0 H GLY A 44 -0.491 -9.831 2.303 1.00 0.00 H new ATOM 0 HA2 GLY A 44 0.864 -10.154 0.553 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -0.265 -11.353 -0.046 1.00 0.00 H new ATOM 637 N TYR A 45 -0.754 -8.116 -0.537 1.00 0.00 N ATOM 638 CA TYR A 45 -1.069 -7.128 -1.562 1.00 0.00 C ATOM 639 C TYR A 45 0.210 -6.559 -2.162 1.00 0.00 C ATOM 640 O TYR A 45 0.288 -6.305 -3.367 1.00 0.00 O ATOM 641 CB TYR A 45 -1.925 -5.998 -0.986 1.00 0.00 C ATOM 642 CG TYR A 45 -3.308 -6.444 -0.570 1.00 0.00 C ATOM 643 CD1 TYR A 45 -4.114 -7.161 -1.443 1.00 0.00 C ATOM 644 CD2 TYR A 45 -3.810 -6.149 0.691 1.00 0.00 C ATOM 645 CE1 TYR A 45 -5.376 -7.573 -1.075 1.00 0.00 C ATOM 646 CE2 TYR A 45 -5.075 -6.556 1.067 1.00 0.00 C ATOM 647 CZ TYR A 45 -5.852 -7.270 0.181 1.00 0.00 C ATOM 648 OH TYR A 45 -7.105 -7.695 0.551 1.00 0.00 O ATOM 0 H TYR A 45 -0.697 -7.741 0.410 1.00 0.00 H new ATOM 0 HA TYR A 45 -1.638 -7.626 -2.347 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -1.415 -5.569 -0.123 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -2.015 -5.206 -1.729 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -3.745 -7.400 -2.429 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -3.201 -5.593 1.388 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -5.989 -8.131 -1.768 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -5.453 -6.316 2.050 1.00 0.00 H new ATOM 0 HH TYR A 45 -7.782 -7.139 0.112 1.00 0.00 H new ATOM 658 N ILE A 46 1.211 -6.376 -1.316 1.00 0.00 N ATOM 659 CA ILE A 46 2.494 -5.850 -1.750 1.00 0.00 C ATOM 660 C ILE A 46 3.646 -6.591 -1.080 1.00 0.00 C ATOM 661 O ILE A 46 3.504 -7.107 0.030 1.00 0.00 O ATOM 662 CB ILE A 46 2.624 -4.326 -1.481 1.00 0.00 C ATOM 663 CG1 ILE A 46 1.952 -3.916 -0.160 1.00 0.00 C ATOM 664 CG2 ILE A 46 2.043 -3.528 -2.639 1.00 0.00 C ATOM 665 CD1 ILE A 46 2.710 -4.328 1.086 1.00 0.00 C ATOM 0 H ILE A 46 1.158 -6.586 -0.319 1.00 0.00 H new ATOM 0 HA ILE A 46 2.546 -6.008 -2.827 1.00 0.00 H new ATOM 0 HB ILE A 46 3.687 -4.102 -1.392 1.00 0.00 H new ATOM 0 HG12 ILE A 46 1.826 -2.833 -0.152 1.00 0.00 H new ATOM 0 HG13 ILE A 46 0.954 -4.353 -0.124 1.00 0.00 H new ATOM 0 HG21 ILE A 46 2.143 -2.462 -2.433 1.00 0.00 H new ATOM 0 HG22 ILE A 46 2.581 -3.772 -3.555 1.00 0.00 H new ATOM 0 HG23 ILE A 46 0.989 -3.777 -2.760 1.00 0.00 H new ATOM 0 HD11 ILE A 46 2.164 -3.998 1.970 1.00 0.00 H new ATOM 0 HD12 ILE A 46 2.813 -5.413 1.107 1.00 0.00 H new ATOM 0 HD13 ILE A 46 3.699 -3.870 1.079 1.00 0.00 H new ATOM 677 N ILE A 47 4.769 -6.664 -1.776 1.00 0.00 N ATOM 678 CA ILE A 47 5.981 -7.257 -1.227 1.00 0.00 C ATOM 679 C ILE A 47 7.165 -6.344 -1.509 1.00 0.00 C ATOM 680 O ILE A 47 7.025 -5.339 -2.206 1.00 0.00 O ATOM 681 CB ILE A 47 6.286 -8.675 -1.792 1.00 0.00 C ATOM 682 CG1 ILE A 47 6.579 -8.643 -3.305 1.00 0.00 C ATOM 683 CG2 ILE A 47 5.145 -9.635 -1.483 1.00 0.00 C ATOM 684 CD1 ILE A 47 5.361 -8.448 -4.188 1.00 0.00 C ATOM 0 H ILE A 47 4.868 -6.317 -2.730 1.00 0.00 H new ATOM 0 HA ILE A 47 5.816 -7.368 -0.155 1.00 0.00 H new ATOM 0 HB ILE A 47 7.187 -9.035 -1.296 1.00 0.00 H new ATOM 0 HG12 ILE A 47 7.288 -7.840 -3.506 1.00 0.00 H new ATOM 0 HG13 ILE A 47 7.067 -9.576 -3.585 1.00 0.00 H new ATOM 0 HG21 ILE A 47 5.379 -10.620 -1.887 1.00 0.00 H new ATOM 0 HG22 ILE A 47 5.013 -9.707 -0.403 1.00 0.00 H new ATOM 0 HG23 ILE A 47 4.226 -9.266 -1.937 1.00 0.00 H new ATOM 0 HD11 ILE A 47 5.668 -8.439 -5.234 1.00 0.00 H new ATOM 0 HD12 ILE A 47 4.658 -9.264 -4.023 1.00 0.00 H new ATOM 0 HD13 ILE A 47 4.881 -7.500 -3.942 1.00 0.00 H new ATOM 696 N GLY A 48 8.322 -6.684 -0.959 1.00 0.00 N ATOM 697 CA GLY A 48 9.506 -5.880 -1.181 1.00 0.00 C ATOM 698 C GLY A 48 9.640 -4.770 -0.160 1.00 0.00 C ATOM 699 O GLY A 48 10.487 -3.885 -0.295 1.00 0.00 O ATOM 0 H GLY A 48 8.462 -7.501 -0.364 1.00 0.00 H new ATOM 0 HA2 GLY A 48 10.389 -6.517 -1.141 1.00 0.00 H new ATOM 0 HA3 GLY A 48 9.469 -5.449 -2.182 1.00 0.00 H new ATOM 703 N VAL A 49 8.800 -4.815 0.862 1.00 0.00 N ATOM 704 CA VAL A 49 8.835 -3.822 1.921 1.00 0.00 C ATOM 705 C VAL A 49 9.956 -4.147 2.899 1.00 0.00 C ATOM 706 O VAL A 49 10.021 -5.252 3.438 1.00 0.00 O ATOM 707 CB VAL A 49 7.493 -3.756 2.680 1.00 0.00 C ATOM 708 CG1 VAL A 49 7.525 -2.663 3.737 1.00 0.00 C ATOM 709 CG2 VAL A 49 6.341 -3.535 1.712 1.00 0.00 C ATOM 0 H VAL A 49 8.084 -5.532 0.980 1.00 0.00 H new ATOM 0 HA VAL A 49 9.014 -2.850 1.461 1.00 0.00 H new ATOM 0 HB VAL A 49 7.338 -4.710 3.184 1.00 0.00 H new ATOM 0 HG11 VAL A 49 6.569 -2.634 4.260 1.00 0.00 H new ATOM 0 HG12 VAL A 49 8.323 -2.870 4.450 1.00 0.00 H new ATOM 0 HG13 VAL A 49 7.706 -1.700 3.259 1.00 0.00 H new ATOM 0 HG21 VAL A 49 5.403 -3.491 2.266 1.00 0.00 H new ATOM 0 HG22 VAL A 49 6.490 -2.597 1.177 1.00 0.00 H new ATOM 0 HG23 VAL A 49 6.303 -4.358 0.998 1.00 0.00 H new ATOM 719 N HIS A 50 10.842 -3.187 3.120 1.00 0.00 N ATOM 720 CA HIS A 50 11.981 -3.404 3.998 1.00 0.00 C ATOM 721 C HIS A 50 11.646 -2.972 5.420 1.00 0.00 C ATOM 722 O HIS A 50 11.471 -1.786 5.695 1.00 0.00 O ATOM 723 CB HIS A 50 13.204 -2.636 3.494 1.00 0.00 C ATOM 724 CG HIS A 50 14.497 -3.131 4.071 1.00 0.00 C ATOM 725 ND1 HIS A 50 15.156 -2.512 5.113 1.00 0.00 N ATOM 726 CD2 HIS A 50 15.258 -4.196 3.730 1.00 0.00 C ATOM 727 CE1 HIS A 50 16.265 -3.176 5.381 1.00 0.00 C ATOM 728 NE2 HIS A 50 16.351 -4.202 4.556 1.00 0.00 N ATOM 0 H HIS A 50 10.795 -2.256 2.706 1.00 0.00 H new ATOM 0 HA HIS A 50 12.213 -4.469 3.998 1.00 0.00 H new ATOM 0 HB2 HIS A 50 13.248 -2.710 2.407 1.00 0.00 H new ATOM 0 HB3 HIS A 50 13.087 -1.580 3.737 1.00 0.00 H new ATOM 0 HD2 HIS A 50 15.043 -4.911 2.949 1.00 0.00 H new ATOM 0 HE1 HIS A 50 16.982 -2.922 6.148 1.00 0.00 H new ATOM 0 HE2 HIS A 50 17.107 -4.887 4.536 1.00 0.00 H new ATOM 737 N TYR A 51 11.546 -3.934 6.316 1.00 0.00 N ATOM 738 CA TYR A 51 11.267 -3.645 7.712 1.00 0.00 C ATOM 739 C TYR A 51 12.562 -3.439 8.482 1.00 0.00 C ATOM 740 O TYR A 51 13.491 -4.244 8.380 1.00 0.00 O ATOM 741 CB TYR A 51 10.455 -4.776 8.345 1.00 0.00 C ATOM 742 CG TYR A 51 9.044 -4.885 7.818 1.00 0.00 C ATOM 743 CD1 TYR A 51 8.006 -4.176 8.411 1.00 0.00 C ATOM 744 CD2 TYR A 51 8.746 -5.700 6.735 1.00 0.00 C ATOM 745 CE1 TYR A 51 6.710 -4.279 7.942 1.00 0.00 C ATOM 746 CE2 TYR A 51 7.455 -5.806 6.255 1.00 0.00 C ATOM 747 CZ TYR A 51 6.440 -5.094 6.862 1.00 0.00 C ATOM 748 OH TYR A 51 5.147 -5.209 6.395 1.00 0.00 O ATOM 0 H TYR A 51 11.654 -4.926 6.103 1.00 0.00 H new ATOM 0 HA TYR A 51 10.681 -2.727 7.759 1.00 0.00 H new ATOM 0 HB2 TYR A 51 10.971 -5.721 8.173 1.00 0.00 H new ATOM 0 HB3 TYR A 51 10.419 -4.624 9.424 1.00 0.00 H new ATOM 0 HD1 TYR A 51 8.216 -3.533 9.253 1.00 0.00 H new ATOM 0 HD2 TYR A 51 9.537 -6.261 6.259 1.00 0.00 H new ATOM 0 HE1 TYR A 51 5.914 -3.725 8.418 1.00 0.00 H new ATOM 0 HE2 TYR A 51 7.241 -6.443 5.409 1.00 0.00 H new ATOM 0 HH TYR A 51 4.662 -4.375 6.566 1.00 0.00 H new ATOM 793 N ARG A 55 9.125 -0.295 11.564 1.00 0.00 N ATOM 794 CA ARG A 55 8.729 0.683 10.552 1.00 0.00 C ATOM 795 C ARG A 55 8.881 0.077 9.163 1.00 0.00 C ATOM 796 O ARG A 55 9.980 -0.323 8.768 1.00 0.00 O ATOM 797 CB ARG A 55 9.590 1.954 10.642 1.00 0.00 C ATOM 798 CG ARG A 55 9.087 3.121 9.798 1.00 0.00 C ATOM 799 CD ARG A 55 7.747 3.636 10.298 1.00 0.00 C ATOM 800 NE ARG A 55 7.382 4.920 9.692 1.00 0.00 N ATOM 801 CZ ARG A 55 6.560 5.805 10.264 1.00 0.00 C ATOM 802 NH1 ARG A 55 5.982 5.522 11.430 1.00 0.00 N ATOM 803 NH2 ARG A 55 6.307 6.966 9.664 1.00 0.00 N ATOM 0 HA ARG A 55 7.688 0.952 10.732 1.00 0.00 H new ATOM 0 HB2 ARG A 55 9.640 2.271 11.684 1.00 0.00 H new ATOM 0 HB3 ARG A 55 10.607 1.711 10.334 1.00 0.00 H new ATOM 0 HG2 ARG A 55 9.819 3.928 9.820 1.00 0.00 H new ATOM 0 HG3 ARG A 55 8.991 2.805 8.759 1.00 0.00 H new ATOM 0 HD2 ARG A 55 6.973 2.900 10.079 1.00 0.00 H new ATOM 0 HD3 ARG A 55 7.784 3.746 11.382 1.00 0.00 H new ATOM 0 HE ARG A 55 7.778 5.151 8.781 1.00 0.00 H new ATOM 0 HH11 ARG A 55 6.167 4.629 11.887 1.00 0.00 H new ATOM 0 HH12 ARG A 55 5.355 6.198 11.866 1.00 0.00 H new ATOM 0 HH21 ARG A 55 6.741 7.181 8.766 1.00 0.00 H new ATOM 0 HH22 ARG A 55 5.679 7.640 10.102 1.00 0.00 H new ATOM 817 N PRO A 56 7.781 -0.024 8.411 1.00 0.00 N ATOM 818 CA PRO A 56 7.821 -0.464 7.022 1.00 0.00 C ATOM 819 C PRO A 56 8.448 0.601 6.129 1.00 0.00 C ATOM 820 O PRO A 56 7.800 1.584 5.770 1.00 0.00 O ATOM 821 CB PRO A 56 6.346 -0.678 6.652 1.00 0.00 C ATOM 822 CG PRO A 56 5.589 -0.598 7.938 1.00 0.00 C ATOM 823 CD PRO A 56 6.412 0.260 8.853 1.00 0.00 C ATOM 0 HA PRO A 56 8.423 -1.363 6.890 1.00 0.00 H new ATOM 0 HB2 PRO A 56 6.005 0.082 5.949 1.00 0.00 H new ATOM 0 HB3 PRO A 56 6.200 -1.645 6.171 1.00 0.00 H new ATOM 0 HG2 PRO A 56 4.601 -0.165 7.782 1.00 0.00 H new ATOM 0 HG3 PRO A 56 5.439 -1.590 8.364 1.00 0.00 H new ATOM 0 HD2 PRO A 56 6.164 1.316 8.751 1.00 0.00 H new ATOM 0 HD3 PRO A 56 6.261 -0.003 9.900 1.00 0.00 H new ATOM 831 N HIS A 57 9.721 0.420 5.801 1.00 0.00 N ATOM 832 CA HIS A 57 10.444 1.398 5.001 1.00 0.00 C ATOM 833 C HIS A 57 10.156 1.209 3.523 1.00 0.00 C ATOM 834 O HIS A 57 10.573 0.219 2.914 1.00 0.00 O ATOM 835 CB HIS A 57 11.954 1.315 5.248 1.00 0.00 C ATOM 836 CG HIS A 57 12.394 1.878 6.562 1.00 0.00 C ATOM 837 ND1 HIS A 57 12.930 3.139 6.696 1.00 0.00 N ATOM 838 CD2 HIS A 57 12.398 1.338 7.799 1.00 0.00 C ATOM 839 CE1 HIS A 57 13.246 3.348 7.957 1.00 0.00 C ATOM 840 NE2 HIS A 57 12.932 2.271 8.648 1.00 0.00 N ATOM 0 H HIS A 57 10.272 -0.393 6.076 1.00 0.00 H new ATOM 0 HA HIS A 57 10.097 2.385 5.306 1.00 0.00 H new ATOM 0 HB2 HIS A 57 12.263 0.271 5.191 1.00 0.00 H new ATOM 0 HB3 HIS A 57 12.471 1.844 4.448 1.00 0.00 H new ATOM 0 HD2 HIS A 57 12.046 0.353 8.069 1.00 0.00 H new ATOM 0 HE1 HIS A 57 13.687 4.249 8.357 1.00 0.00 H new ATOM 0 HE2 HIS A 57 13.065 2.151 9.652 1.00 0.00 H new ATOM 849 N LEU A 58 9.424 2.153 2.960 1.00 0.00 N ATOM 850 CA LEU A 58 9.158 2.164 1.537 1.00 0.00 C ATOM 851 C LEU A 58 10.250 2.934 0.820 1.00 0.00 C ATOM 852 O LEU A 58 10.324 4.157 0.911 1.00 0.00 O ATOM 853 CB LEU A 58 7.786 2.778 1.240 1.00 0.00 C ATOM 854 CG LEU A 58 6.598 2.003 1.812 1.00 0.00 C ATOM 855 CD1 LEU A 58 5.291 2.683 1.447 1.00 0.00 C ATOM 856 CD2 LEU A 58 6.603 0.567 1.308 1.00 0.00 C ATOM 0 H LEU A 58 9.001 2.927 3.473 1.00 0.00 H new ATOM 0 HA LEU A 58 9.148 1.136 1.176 1.00 0.00 H new ATOM 0 HB2 LEU A 58 7.764 3.793 1.637 1.00 0.00 H new ATOM 0 HB3 LEU A 58 7.665 2.856 0.160 1.00 0.00 H new ATOM 0 HG LEU A 58 6.691 1.990 2.898 1.00 0.00 H new ATOM 0 HD11 LEU A 58 4.458 2.117 1.863 1.00 0.00 H new ATOM 0 HD12 LEU A 58 5.281 3.694 1.853 1.00 0.00 H new ATOM 0 HD13 LEU A 58 5.194 2.727 0.362 1.00 0.00 H new ATOM 0 HD21 LEU A 58 5.750 0.032 1.726 1.00 0.00 H new ATOM 0 HD22 LEU A 58 6.536 0.563 0.220 1.00 0.00 H new ATOM 0 HD23 LEU A 58 7.526 0.076 1.617 1.00 0.00 H new ATOM 868 N TYR A 59 11.121 2.205 0.146 1.00 0.00 N ATOM 869 CA TYR A 59 12.198 2.814 -0.611 1.00 0.00 C ATOM 870 C TYR A 59 11.814 2.910 -2.076 1.00 0.00 C ATOM 871 O TYR A 59 10.772 2.398 -2.485 1.00 0.00 O ATOM 872 CB TYR A 59 13.489 2.001 -0.457 1.00 0.00 C ATOM 873 CG TYR A 59 14.015 1.962 0.959 1.00 0.00 C ATOM 874 CD1 TYR A 59 14.534 3.102 1.557 1.00 0.00 C ATOM 875 CD2 TYR A 59 13.992 0.787 1.696 1.00 0.00 C ATOM 876 CE1 TYR A 59 15.017 3.075 2.849 1.00 0.00 C ATOM 877 CE2 TYR A 59 14.473 0.749 2.992 1.00 0.00 C ATOM 878 CZ TYR A 59 14.985 1.897 3.565 1.00 0.00 C ATOM 879 OH TYR A 59 15.455 1.873 4.860 1.00 0.00 O ATOM 0 H TYR A 59 11.103 1.186 0.108 1.00 0.00 H new ATOM 0 HA TYR A 59 12.372 3.818 -0.223 1.00 0.00 H new ATOM 0 HB2 TYR A 59 13.309 0.981 -0.797 1.00 0.00 H new ATOM 0 HB3 TYR A 59 14.254 2.423 -1.108 1.00 0.00 H new ATOM 0 HD1 TYR A 59 14.560 4.027 1.001 1.00 0.00 H new ATOM 0 HD2 TYR A 59 13.592 -0.112 1.251 1.00 0.00 H new ATOM 0 HE1 TYR A 59 15.418 3.972 3.297 1.00 0.00 H new ATOM 0 HE2 TYR A 59 14.448 -0.173 3.553 1.00 0.00 H new ATOM 0 HH TYR A 59 14.811 2.318 5.450 1.00 0.00 H new ATOM 889 N LYS A 60 12.648 3.575 -2.860 1.00 0.00 N ATOM 890 CA LYS A 60 12.437 3.660 -4.298 1.00 0.00 C ATOM 891 C LYS A 60 12.635 2.289 -4.933 1.00 0.00 C ATOM 892 O LYS A 60 12.066 1.980 -5.977 1.00 0.00 O ATOM 893 CB LYS A 60 13.399 4.673 -4.922 1.00 0.00 C ATOM 894 CG LYS A 60 13.173 6.100 -4.448 1.00 0.00 C ATOM 895 CD LYS A 60 14.113 7.078 -5.139 1.00 0.00 C ATOM 896 CE LYS A 60 13.920 7.074 -6.649 1.00 0.00 C ATOM 897 NZ LYS A 60 12.522 7.395 -7.039 1.00 0.00 N ATOM 0 H LYS A 60 13.478 4.064 -2.525 1.00 0.00 H new ATOM 0 HA LYS A 60 11.416 3.994 -4.482 1.00 0.00 H new ATOM 0 HB2 LYS A 60 14.423 4.380 -4.690 1.00 0.00 H new ATOM 0 HB3 LYS A 60 13.296 4.639 -6.007 1.00 0.00 H new ATOM 0 HG2 LYS A 60 12.140 6.389 -4.642 1.00 0.00 H new ATOM 0 HG3 LYS A 60 13.321 6.153 -3.369 1.00 0.00 H new ATOM 0 HD2 LYS A 60 13.941 8.083 -4.753 1.00 0.00 H new ATOM 0 HD3 LYS A 60 15.145 6.819 -4.903 1.00 0.00 H new ATOM 0 HE2 LYS A 60 14.597 7.799 -7.102 1.00 0.00 H new ATOM 0 HE3 LYS A 60 14.190 6.095 -7.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 12.475 7.547 -8.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 11.898 6.605 -6.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 12.214 8.258 -6.547 1.00 0.00 H new ATOM 911 N LEU A 61 13.445 1.473 -4.281 1.00 0.00 N ATOM 912 CA LEU A 61 13.700 0.122 -4.737 1.00 0.00 C ATOM 913 C LEU A 61 13.166 -0.871 -3.717 1.00 0.00 C ATOM 914 O LEU A 61 13.610 -0.884 -2.567 1.00 0.00 O ATOM 915 CB LEU A 61 15.203 -0.090 -4.939 1.00 0.00 C ATOM 916 CG LEU A 61 15.860 0.836 -5.966 1.00 0.00 C ATOM 917 CD1 LEU A 61 17.362 0.604 -6.001 1.00 0.00 C ATOM 918 CD2 LEU A 61 15.251 0.622 -7.345 1.00 0.00 C ATOM 0 H LEU A 61 13.940 1.728 -3.427 1.00 0.00 H new ATOM 0 HA LEU A 61 13.193 -0.035 -5.689 1.00 0.00 H new ATOM 0 HB2 LEU A 61 15.704 0.043 -3.980 1.00 0.00 H new ATOM 0 HB3 LEU A 61 15.370 -1.123 -5.245 1.00 0.00 H new ATOM 0 HG LEU A 61 15.677 1.869 -5.669 1.00 0.00 H new ATOM 0 HD11 LEU A 61 17.816 1.269 -6.736 1.00 0.00 H new ATOM 0 HD12 LEU A 61 17.785 0.808 -5.017 1.00 0.00 H new ATOM 0 HD13 LEU A 61 17.564 -0.431 -6.275 1.00 0.00 H new ATOM 0 HD21 LEU A 61 15.730 1.289 -8.062 1.00 0.00 H new ATOM 0 HD22 LEU A 61 15.403 -0.412 -7.653 1.00 0.00 H new ATOM 0 HD23 LEU A 61 14.183 0.836 -7.308 1.00 0.00 H new ATOM 930 N GLY A 62 12.206 -1.684 -4.129 1.00 0.00 N ATOM 931 CA GLY A 62 11.635 -2.656 -3.222 1.00 0.00 C ATOM 932 C GLY A 62 10.170 -2.950 -3.493 1.00 0.00 C ATOM 933 O GLY A 62 9.844 -4.026 -3.997 1.00 0.00 O ATOM 0 H GLY A 62 11.814 -1.688 -5.071 1.00 0.00 H new ATOM 0 HA2 GLY A 62 12.203 -3.584 -3.292 1.00 0.00 H new ATOM 0 HA3 GLY A 62 11.742 -2.294 -2.200 1.00 0.00 H new ATOM 937 N PRO A 63 9.268 -2.002 -3.173 1.00 0.00 N ATOM 938 CA PRO A 63 7.812 -2.208 -3.250 1.00 0.00 C ATOM 939 C PRO A 63 7.322 -2.720 -4.605 1.00 0.00 C ATOM 940 O PRO A 63 7.526 -2.088 -5.641 1.00 0.00 O ATOM 941 CB PRO A 63 7.238 -0.816 -2.972 1.00 0.00 C ATOM 942 CG PRO A 63 8.292 -0.130 -2.178 1.00 0.00 C ATOM 943 CD PRO A 63 9.599 -0.643 -2.705 1.00 0.00 C ATOM 0 HA PRO A 63 7.496 -2.978 -2.547 1.00 0.00 H new ATOM 0 HB2 PRO A 63 7.028 -0.281 -3.898 1.00 0.00 H new ATOM 0 HB3 PRO A 63 6.301 -0.876 -2.419 1.00 0.00 H new ATOM 0 HG2 PRO A 63 8.223 0.952 -2.289 1.00 0.00 H new ATOM 0 HG3 PRO A 63 8.186 -0.349 -1.115 1.00 0.00 H new ATOM 0 HD2 PRO A 63 9.978 -0.020 -3.515 1.00 0.00 H new ATOM 0 HD3 PRO A 63 10.366 -0.660 -1.931 1.00 0.00 H new ATOM 951 N GLU A 64 6.691 -3.887 -4.571 1.00 0.00 N ATOM 952 CA GLU A 64 6.050 -4.474 -5.740 1.00 0.00 C ATOM 953 C GLU A 64 4.626 -4.888 -5.389 1.00 0.00 C ATOM 954 O GLU A 64 4.363 -5.322 -4.265 1.00 0.00 O ATOM 955 CB GLU A 64 6.833 -5.697 -6.226 1.00 0.00 C ATOM 956 CG GLU A 64 8.112 -5.360 -6.973 1.00 0.00 C ATOM 957 CD GLU A 64 7.848 -4.780 -8.348 1.00 0.00 C ATOM 958 OE1 GLU A 64 7.213 -5.469 -9.172 1.00 0.00 O ATOM 959 OE2 GLU A 64 8.298 -3.647 -8.622 1.00 0.00 O ATOM 0 H GLU A 64 6.609 -4.455 -3.728 1.00 0.00 H new ATOM 0 HA GLU A 64 6.031 -3.731 -6.537 1.00 0.00 H new ATOM 0 HB2 GLU A 64 7.081 -6.321 -5.367 1.00 0.00 H new ATOM 0 HB3 GLU A 64 6.191 -6.291 -6.877 1.00 0.00 H new ATOM 0 HG2 GLU A 64 8.693 -4.648 -6.388 1.00 0.00 H new ATOM 0 HG3 GLU A 64 8.718 -6.260 -7.073 1.00 0.00 H new ATOM 966 N LEU A 65 3.713 -4.748 -6.336 1.00 0.00 N ATOM 967 CA LEU A 65 2.324 -5.130 -6.109 1.00 0.00 C ATOM 968 C LEU A 65 2.058 -6.520 -6.669 1.00 0.00 C ATOM 969 O LEU A 65 2.636 -6.912 -7.683 1.00 0.00 O ATOM 970 CB LEU A 65 1.350 -4.119 -6.734 1.00 0.00 C ATOM 971 CG LEU A 65 1.336 -2.726 -6.091 1.00 0.00 C ATOM 972 CD1 LEU A 65 2.505 -1.882 -6.578 1.00 0.00 C ATOM 973 CD2 LEU A 65 0.019 -2.023 -6.374 1.00 0.00 C ATOM 0 H LEU A 65 3.905 -4.375 -7.266 1.00 0.00 H new ATOM 0 HA LEU A 65 2.157 -5.138 -5.032 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.597 -4.009 -7.790 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.343 -4.533 -6.683 1.00 0.00 H new ATOM 0 HG LEU A 65 1.440 -2.853 -5.013 1.00 0.00 H new ATOM 0 HD11 LEU A 65 2.468 -0.901 -6.105 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.442 -2.374 -6.319 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.444 -1.765 -7.660 1.00 0.00 H new ATOM 0 HD21 LEU A 65 0.026 -1.036 -5.911 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.113 -1.917 -7.451 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -0.802 -2.610 -5.964 1.00 0.00 H new ATOM 985 N THR A 66 1.195 -7.266 -6.000 1.00 0.00 N ATOM 986 CA THR A 66 0.869 -8.616 -6.428 1.00 0.00 C ATOM 987 C THR A 66 -0.404 -8.620 -7.268 1.00 0.00 C ATOM 988 O THR A 66 -1.072 -7.595 -7.401 1.00 0.00 O ATOM 989 CB THR A 66 0.661 -9.544 -5.216 1.00 0.00 C ATOM 990 OG1 THR A 66 -0.483 -9.112 -4.472 1.00 0.00 O ATOM 991 CG2 THR A 66 1.887 -9.543 -4.312 1.00 0.00 C ATOM 0 H THR A 66 0.707 -6.960 -5.158 1.00 0.00 H new ATOM 0 HA THR A 66 1.706 -8.980 -7.024 1.00 0.00 H new ATOM 0 HB THR A 66 0.503 -10.558 -5.582 1.00 0.00 H new ATOM 0 HG1 THR A 66 -0.290 -9.168 -3.513 1.00 0.00 H new ATOM 0 HG21 THR A 66 1.714 -10.206 -3.464 1.00 0.00 H new ATOM 0 HG22 THR A 66 2.754 -9.891 -4.874 1.00 0.00 H new ATOM 0 HG23 THR A 66 2.071 -8.531 -3.950 1.00 0.00 H new ATOM 999 N GLU A 67 -0.740 -9.777 -7.826 1.00 0.00 N ATOM 1000 CA GLU A 67 -2.000 -9.946 -8.536 1.00 0.00 C ATOM 1001 C GLU A 67 -3.154 -9.799 -7.547 1.00 0.00 C ATOM 1002 O GLU A 67 -4.188 -9.212 -7.856 1.00 0.00 O ATOM 1003 CB GLU A 67 -2.044 -11.323 -9.206 1.00 0.00 C ATOM 1004 CG GLU A 67 -3.240 -11.533 -10.123 1.00 0.00 C ATOM 1005 CD GLU A 67 -3.203 -10.644 -11.348 1.00 0.00 C ATOM 1006 OE1 GLU A 67 -2.555 -11.028 -12.348 1.00 0.00 O ATOM 1007 OE2 GLU A 67 -3.825 -9.567 -11.328 1.00 0.00 O ATOM 0 H GLU A 67 -0.156 -10.613 -7.800 1.00 0.00 H new ATOM 0 HA GLU A 67 -2.090 -9.184 -9.310 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -1.130 -11.463 -9.782 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -2.054 -12.091 -8.432 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -3.272 -12.576 -10.438 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -4.157 -11.339 -9.567 1.00 0.00 H new ATOM 1014 N LYS A 68 -2.940 -10.309 -6.339 1.00 0.00 N ATOM 1015 CA LYS A 68 -3.928 -10.209 -5.268 1.00 0.00 C ATOM 1016 C LYS A 68 -4.153 -8.737 -4.922 1.00 0.00 C ATOM 1017 O LYS A 68 -5.283 -8.300 -4.704 1.00 0.00 O ATOM 1018 CB LYS A 68 -3.432 -10.987 -4.039 1.00 0.00 C ATOM 1019 CG LYS A 68 -4.520 -11.675 -3.219 1.00 0.00 C ATOM 1020 CD LYS A 68 -5.352 -10.696 -2.406 1.00 0.00 C ATOM 1021 CE LYS A 68 -6.197 -11.424 -1.373 1.00 0.00 C ATOM 1022 NZ LYS A 68 -6.987 -10.487 -0.528 1.00 0.00 N ATOM 0 H LYS A 68 -2.085 -10.799 -6.075 1.00 0.00 H new ATOM 0 HA LYS A 68 -4.875 -10.640 -5.593 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -2.719 -11.741 -4.371 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -2.890 -10.300 -3.389 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -5.175 -12.233 -3.888 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -4.059 -12.399 -2.547 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -4.696 -9.983 -1.907 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -5.998 -10.123 -3.071 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -6.874 -12.112 -1.880 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -5.549 -12.026 -0.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -6.968 -10.811 0.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -6.575 -9.534 -0.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -7.970 -10.461 -0.865 1.00 0.00 H new ATOM 1036 N GLY A 69 -3.064 -7.976 -4.899 1.00 0.00 N ATOM 1037 CA GLY A 69 -3.152 -6.555 -4.636 1.00 0.00 C ATOM 1038 C GLY A 69 -3.778 -5.790 -5.787 1.00 0.00 C ATOM 1039 O GLY A 69 -4.607 -4.905 -5.571 1.00 0.00 O ATOM 0 H GLY A 69 -2.118 -8.322 -5.059 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -3.740 -6.391 -3.733 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -2.154 -6.162 -4.442 1.00 0.00 H new ATOM 1043 N GLU A 70 -3.397 -6.140 -7.012 1.00 0.00 N ATOM 1044 CA GLU A 70 -3.920 -5.469 -8.195 1.00 0.00 C ATOM 1045 C GLU A 70 -5.413 -5.741 -8.356 1.00 0.00 C ATOM 1046 O GLU A 70 -6.181 -4.855 -8.737 1.00 0.00 O ATOM 1047 CB GLU A 70 -3.171 -5.916 -9.452 1.00 0.00 C ATOM 1048 CG GLU A 70 -3.492 -5.064 -10.663 1.00 0.00 C ATOM 1049 CD GLU A 70 -2.774 -5.519 -11.914 1.00 0.00 C ATOM 1050 OE1 GLU A 70 -1.543 -5.329 -12.004 1.00 0.00 O ATOM 1051 OE2 GLU A 70 -3.441 -6.057 -12.822 1.00 0.00 O ATOM 0 H GLU A 70 -2.728 -6.884 -7.210 1.00 0.00 H new ATOM 0 HA GLU A 70 -3.771 -4.397 -8.062 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -2.098 -5.879 -9.262 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -3.421 -6.955 -9.668 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -4.567 -5.085 -10.840 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -3.224 -4.029 -10.453 1.00 0.00 H new ATOM 1058 N ASN A 71 -5.827 -6.969 -8.057 1.00 0.00 N ATOM 1059 CA ASN A 71 -7.245 -7.323 -8.109 1.00 0.00 C ATOM 1060 C ASN A 71 -8.023 -6.545 -7.060 1.00 0.00 C ATOM 1061 O ASN A 71 -9.153 -6.122 -7.300 1.00 0.00 O ATOM 1062 CB ASN A 71 -7.463 -8.828 -7.904 1.00 0.00 C ATOM 1063 CG ASN A 71 -7.181 -9.646 -9.153 1.00 0.00 C ATOM 1064 OD1 ASN A 71 -7.802 -10.685 -9.380 1.00 0.00 O ATOM 1065 ND2 ASN A 71 -6.240 -9.197 -9.962 1.00 0.00 N ATOM 0 H ASN A 71 -5.208 -7.731 -7.778 1.00 0.00 H new ATOM 0 HA ASN A 71 -7.610 -7.061 -9.102 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -6.819 -9.176 -7.096 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -8.492 -9.000 -7.588 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -6.006 -9.715 -10.809 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -5.747 -8.332 -9.740 1.00 0.00 H new ATOM 1072 N TYR A 72 -7.397 -6.344 -5.905 1.00 0.00 N ATOM 1073 CA TYR A 72 -8.009 -5.598 -4.816 1.00 0.00 C ATOM 1074 C TYR A 72 -8.298 -4.164 -5.243 1.00 0.00 C ATOM 1075 O TYR A 72 -9.309 -3.585 -4.853 1.00 0.00 O ATOM 1076 CB TYR A 72 -7.099 -5.609 -3.586 1.00 0.00 C ATOM 1077 CG TYR A 72 -7.716 -4.971 -2.361 1.00 0.00 C ATOM 1078 CD1 TYR A 72 -8.659 -5.654 -1.606 1.00 0.00 C ATOM 1079 CD2 TYR A 72 -7.363 -3.684 -1.964 1.00 0.00 C ATOM 1080 CE1 TYR A 72 -9.230 -5.078 -0.489 1.00 0.00 C ATOM 1081 CE2 TYR A 72 -7.933 -3.102 -0.847 1.00 0.00 C ATOM 1082 CZ TYR A 72 -8.866 -3.804 -0.116 1.00 0.00 C ATOM 1083 OH TYR A 72 -9.435 -3.229 0.994 1.00 0.00 O ATOM 0 H TYR A 72 -6.460 -6.691 -5.700 1.00 0.00 H new ATOM 0 HA TYR A 72 -8.953 -6.079 -4.559 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -6.834 -6.640 -3.352 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -6.172 -5.088 -3.827 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -8.951 -6.652 -1.897 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -6.633 -3.132 -2.537 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -9.959 -5.625 0.090 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -7.649 -2.103 -0.549 1.00 0.00 H new ATOM 0 HH TYR A 72 -9.069 -2.329 1.120 1.00 0.00 H new ATOM 1093 N LEU A 73 -7.407 -3.604 -6.055 1.00 0.00 N ATOM 1094 CA LEU A 73 -7.585 -2.256 -6.583 1.00 0.00 C ATOM 1095 C LEU A 73 -8.889 -2.158 -7.368 1.00 0.00 C ATOM 1096 O LEU A 73 -9.661 -1.214 -7.205 1.00 0.00 O ATOM 1097 CB LEU A 73 -6.410 -1.878 -7.492 1.00 0.00 C ATOM 1098 CG LEU A 73 -5.038 -1.823 -6.814 1.00 0.00 C ATOM 1099 CD1 LEU A 73 -3.948 -1.562 -7.840 1.00 0.00 C ATOM 1100 CD2 LEU A 73 -5.011 -0.747 -5.741 1.00 0.00 C ATOM 0 H LEU A 73 -6.551 -4.065 -6.363 1.00 0.00 H new ATOM 0 HA LEU A 73 -7.623 -1.564 -5.742 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -6.362 -2.596 -8.311 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -6.616 -0.903 -7.935 1.00 0.00 H new ATOM 0 HG LEU A 73 -4.854 -2.788 -6.343 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -2.980 -1.526 -7.341 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -3.945 -2.363 -8.580 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -4.136 -0.610 -8.336 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -4.027 -0.725 -5.272 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -5.219 0.223 -6.193 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -5.767 -0.966 -4.987 1.00 0.00 H new ATOM 1112 N LYS A 74 -9.140 -3.158 -8.198 1.00 0.00 N ATOM 1113 CA LYS A 74 -10.329 -3.180 -9.038 1.00 0.00 C ATOM 1114 C LYS A 74 -11.583 -3.441 -8.211 1.00 0.00 C ATOM 1115 O LYS A 74 -12.665 -2.947 -8.533 1.00 0.00 O ATOM 1116 CB LYS A 74 -10.176 -4.244 -10.126 1.00 0.00 C ATOM 1117 CG LYS A 74 -9.015 -3.971 -11.067 1.00 0.00 C ATOM 1118 CD LYS A 74 -9.260 -2.726 -11.904 1.00 0.00 C ATOM 1119 CE LYS A 74 -8.024 -2.328 -12.696 1.00 0.00 C ATOM 1120 NZ LYS A 74 -8.319 -1.234 -13.656 1.00 0.00 N ATOM 0 H LYS A 74 -8.533 -3.970 -8.309 1.00 0.00 H new ATOM 0 HA LYS A 74 -10.437 -2.202 -9.507 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -10.034 -5.217 -9.657 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -11.099 -4.300 -10.704 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -8.098 -3.849 -10.490 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -8.867 -4.829 -11.723 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -10.089 -2.905 -12.589 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -9.556 -1.903 -11.254 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -7.239 -2.009 -12.010 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -7.643 -3.194 -13.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -7.454 -0.988 -14.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -9.051 -1.547 -14.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -8.659 -0.399 -13.137 1.00 0.00 H new