USER MOD reduce.3.24.130724 H: found=0, std=0, add=486, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 486 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 8 CYS SG : rot 81:sc= 0.848 USER MOD Set 1.2: A 65 MET CE :methyl -169:sc=-0.00438 (180deg=-0.173) USER MOD Single : A 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 160:sc= 0.231 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= -0.0123 K(o=-0.012,f=-1.1) USER MOD Single : A 32 THR OG1 : rot -75:sc= 0.302 USER MOD Single : A 35 GLN : amide:sc= -0.0464 X(o=-0.046,f=-0.046) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0.259 USER MOD Single : A 48 SER OG : rot 79:sc= 0.171 USER MOD Single : A 50 THR OG1 : rot -21:sc= 0.818 USER MOD Single : A 52 LYS NZ :NH3+ -172:sc= 0.862 (180deg=0.806) USER MOD Single : A 53 ASN : amide:sc= -0.268 K(o=-0.27,f=-1.2) USER MOD Single : A 63 LYS NZ :NH3+ -175:sc= 0.964 (180deg=0.936) USER MOD Single : A 64 MET CE :methyl -111:sc= -1.44 (180deg=-1.91) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -14.347 -0.803 1.851 1.00 0.00 N ATOM 2 CA SER A 1 -14.541 -0.162 3.146 1.00 0.00 C ATOM 3 C SER A 1 -13.327 0.673 3.535 1.00 0.00 C ATOM 4 O SER A 1 -12.230 0.145 3.716 1.00 0.00 O ATOM 5 CB SER A 1 -14.824 -1.206 4.208 1.00 0.00 C ATOM 6 OG SER A 1 -14.835 -0.657 5.498 1.00 0.00 O ATOM 0 H1 SER A 1 -15.189 -1.365 1.612 1.00 0.00 H new ATOM 0 H2 SER A 1 -14.198 -0.076 1.123 1.00 0.00 H new ATOM 0 H3 SER A 1 -13.516 -1.426 1.893 1.00 0.00 H new ATOM 0 HA SER A 1 -15.398 0.507 3.068 1.00 0.00 H new ATOM 0 HB2 SER A 1 -15.787 -1.676 4.006 1.00 0.00 H new ATOM 0 HB3 SER A 1 -14.069 -1.990 4.155 1.00 0.00 H new ATOM 0 HG SER A 1 -15.321 -1.255 6.104 1.00 0.00 H new ATOM 14 N GLU A 2 -13.530 1.980 3.660 1.00 0.00 N ATOM 15 CA GLU A 2 -12.478 2.879 4.118 1.00 0.00 C ATOM 16 C GLU A 2 -12.154 2.646 5.587 1.00 0.00 C ATOM 17 O GLU A 2 -11.041 2.915 6.038 1.00 0.00 O ATOM 18 CB GLU A 2 -12.883 4.338 3.893 1.00 0.00 C ATOM 19 CG GLU A 2 -12.946 4.754 2.430 1.00 0.00 C ATOM 20 CD GLU A 2 -13.431 6.170 2.286 1.00 0.00 C ATOM 21 OE1 GLU A 2 -13.752 6.772 3.282 1.00 0.00 O ATOM 22 OE2 GLU A 2 -13.376 6.688 1.196 1.00 0.00 O ATOM 0 H GLU A 2 -14.415 2.441 3.450 1.00 0.00 H new ATOM 0 HA GLU A 2 -11.582 2.667 3.534 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -13.859 4.506 4.348 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -12.174 4.983 4.412 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -11.958 4.658 1.979 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -13.611 4.082 1.887 1.00 0.00 H new ATOM 29 N GLU A 3 -13.134 2.145 6.332 1.00 0.00 N ATOM 30 CA GLU A 3 -12.945 1.839 7.744 1.00 0.00 C ATOM 31 C GLU A 3 -12.023 0.640 7.929 1.00 0.00 C ATOM 32 O GLU A 3 -11.202 0.612 8.846 1.00 0.00 O ATOM 33 CB GLU A 3 -14.291 1.578 8.422 1.00 0.00 C ATOM 34 CG GLU A 3 -15.172 2.810 8.569 1.00 0.00 C ATOM 35 CD GLU A 3 -16.518 2.457 9.137 1.00 0.00 C ATOM 36 OE1 GLU A 3 -16.768 1.293 9.342 1.00 0.00 O ATOM 37 OE2 GLU A 3 -17.253 3.354 9.473 1.00 0.00 O ATOM 0 H GLU A 3 -14.069 1.942 5.979 1.00 0.00 H new ATOM 0 HA GLU A 3 -12.476 2.705 8.212 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -14.833 0.826 7.849 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -14.110 1.156 9.411 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -14.681 3.535 9.218 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -15.299 3.286 7.597 1.00 0.00 H new ATOM 44 N GLU A 4 -12.166 -0.349 7.054 1.00 0.00 N ATOM 45 CA GLU A 4 -11.265 -1.496 7.040 1.00 0.00 C ATOM 46 C GLU A 4 -9.905 -1.120 6.464 1.00 0.00 C ATOM 47 O GLU A 4 -8.876 -1.654 6.880 1.00 0.00 O ATOM 48 CB GLU A 4 -11.875 -2.647 6.238 1.00 0.00 C ATOM 49 CG GLU A 4 -13.076 -3.308 6.901 1.00 0.00 C ATOM 50 CD GLU A 4 -13.649 -4.395 6.035 1.00 0.00 C ATOM 51 OE1 GLU A 4 -13.151 -4.590 4.952 1.00 0.00 O ATOM 52 OE2 GLU A 4 -14.509 -5.105 6.499 1.00 0.00 O ATOM 0 H GLU A 4 -12.898 -0.380 6.344 1.00 0.00 H new ATOM 0 HA GLU A 4 -11.122 -1.820 8.071 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -12.176 -2.273 5.260 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -11.108 -3.402 6.068 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -12.779 -3.725 7.863 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -13.842 -2.558 7.102 1.00 0.00 H new ATOM 59 N LEU A 5 -9.908 -0.200 5.507 1.00 0.00 N ATOM 60 CA LEU A 5 -8.669 0.301 4.923 1.00 0.00 C ATOM 61 C LEU A 5 -7.913 1.182 5.908 1.00 0.00 C ATOM 62 O LEU A 5 -6.692 1.318 5.824 1.00 0.00 O ATOM 63 CB LEU A 5 -8.967 1.075 3.633 1.00 0.00 C ATOM 64 CG LEU A 5 -8.809 0.270 2.337 1.00 0.00 C ATOM 65 CD1 LEU A 5 -9.173 -1.188 2.581 1.00 0.00 C ATOM 66 CD2 LEU A 5 -9.692 0.873 1.253 1.00 0.00 C ATOM 0 H LEU A 5 -10.755 0.215 5.118 1.00 0.00 H new ATOM 0 HA LEU A 5 -8.036 -0.554 4.685 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -9.987 1.455 3.684 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -8.306 1.941 3.587 1.00 0.00 H new ATOM 0 HG LEU A 5 -7.771 0.311 2.007 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -9.058 -1.752 1.655 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -8.515 -1.605 3.344 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -10.207 -1.253 2.919 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -9.580 0.301 0.332 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -10.733 0.843 1.574 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -9.396 1.907 1.076 1.00 0.00 H new ATOM 78 N SER A 6 -8.643 1.780 6.842 1.00 0.00 N ATOM 79 CA SER A 6 -8.030 2.515 7.942 1.00 0.00 C ATOM 80 C SER A 6 -7.261 1.579 8.867 1.00 0.00 C ATOM 81 O SER A 6 -6.160 1.900 9.314 1.00 0.00 O ATOM 82 CB SER A 6 -9.090 3.272 8.719 1.00 0.00 C ATOM 83 OG SER A 6 -8.542 4.001 9.783 1.00 0.00 O ATOM 0 H SER A 6 -9.663 1.770 6.859 1.00 0.00 H new ATOM 0 HA SER A 6 -7.321 3.229 7.522 1.00 0.00 H new ATOM 0 HB2 SER A 6 -9.616 3.951 8.048 1.00 0.00 H new ATOM 0 HB3 SER A 6 -9.829 2.569 9.104 1.00 0.00 H new ATOM 0 HG SER A 6 -9.257 4.475 10.257 1.00 0.00 H new ATOM 89 N GLU A 7 -7.848 0.422 9.152 1.00 0.00 N ATOM 90 CA GLU A 7 -7.178 -0.602 9.945 1.00 0.00 C ATOM 91 C GLU A 7 -5.950 -1.142 9.225 1.00 0.00 C ATOM 92 O GLU A 7 -4.883 -1.289 9.821 1.00 0.00 O ATOM 93 CB GLU A 7 -8.144 -1.744 10.270 1.00 0.00 C ATOM 94 CG GLU A 7 -9.248 -1.375 11.249 1.00 0.00 C ATOM 95 CD GLU A 7 -10.242 -2.494 11.398 1.00 0.00 C ATOM 96 OE1 GLU A 7 -10.111 -3.476 10.709 1.00 0.00 O ATOM 97 OE2 GLU A 7 -11.065 -2.416 12.280 1.00 0.00 O ATOM 0 H GLU A 7 -8.787 0.170 8.845 1.00 0.00 H new ATOM 0 HA GLU A 7 -6.849 -0.141 10.876 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -8.599 -2.093 9.343 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -7.576 -2.579 10.680 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -8.812 -1.141 12.220 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -9.758 -0.476 10.903 1.00 0.00 H new ATOM 104 N CYS A 8 -6.107 -1.438 7.939 1.00 0.00 N ATOM 105 CA CYS A 8 -5.000 -1.921 7.123 1.00 0.00 C ATOM 106 C CYS A 8 -3.885 -0.887 7.039 1.00 0.00 C ATOM 107 O CYS A 8 -2.703 -1.229 7.087 1.00 0.00 O ATOM 108 CB CYS A 8 -5.652 -2.124 5.755 1.00 0.00 C ATOM 109 SG CYS A 8 -6.816 -3.506 5.676 1.00 0.00 S ATOM 0 H CYS A 8 -6.992 -1.352 7.439 1.00 0.00 H new ATOM 0 HA CYS A 8 -4.534 -2.822 7.523 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -6.175 -1.209 5.476 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -4.869 -2.282 5.013 1.00 0.00 H new ATOM 0 HG CYS A 8 -7.962 -3.136 6.165 1.00 0.00 H new ATOM 115 N PHE A 9 -4.268 0.379 6.914 1.00 0.00 N ATOM 116 CA PHE A 9 -3.300 1.464 6.798 1.00 0.00 C ATOM 117 C PHE A 9 -2.390 1.523 8.018 1.00 0.00 C ATOM 118 O PHE A 9 -1.166 1.547 7.890 1.00 0.00 O ATOM 119 CB PHE A 9 -4.018 2.802 6.612 1.00 0.00 C ATOM 120 CG PHE A 9 -3.090 3.978 6.503 1.00 0.00 C ATOM 121 CD1 PHE A 9 -2.305 4.160 5.375 1.00 0.00 C ATOM 122 CD2 PHE A 9 -2.996 4.904 7.531 1.00 0.00 C ATOM 123 CE1 PHE A 9 -1.450 5.241 5.273 1.00 0.00 C ATOM 124 CE2 PHE A 9 -2.144 5.987 7.434 1.00 0.00 C ATOM 125 CZ PHE A 9 -1.370 6.155 6.303 1.00 0.00 C ATOM 0 H PHE A 9 -5.242 0.679 6.890 1.00 0.00 H new ATOM 0 HA PHE A 9 -2.682 1.268 5.922 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -4.633 2.752 5.713 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -4.694 2.961 7.452 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -2.362 3.448 4.565 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -3.597 4.777 8.419 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -0.845 5.370 4.388 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -2.083 6.701 8.242 1.00 0.00 H new ATOM 0 HZ PHE A 9 -0.703 7.001 6.225 1.00 0.00 H new ATOM 135 N ARG A 10 -2.995 1.545 9.200 1.00 0.00 N ATOM 136 CA ARG A 10 -2.244 1.683 10.443 1.00 0.00 C ATOM 137 C ARG A 10 -1.427 0.431 10.733 1.00 0.00 C ATOM 138 O ARG A 10 -0.313 0.512 11.252 1.00 0.00 O ATOM 139 CB ARG A 10 -3.139 2.050 11.617 1.00 0.00 C ATOM 140 CG ARG A 10 -3.668 3.475 11.597 1.00 0.00 C ATOM 141 CD ARG A 10 -4.558 3.814 12.738 1.00 0.00 C ATOM 142 NE ARG A 10 -5.032 5.189 12.745 1.00 0.00 N ATOM 143 CZ ARG A 10 -5.893 5.696 13.649 1.00 0.00 C ATOM 144 NH1 ARG A 10 -6.405 4.941 14.594 1.00 0.00 N ATOM 145 NH2 ARG A 10 -6.227 6.971 13.544 1.00 0.00 N ATOM 0 H ARG A 10 -4.005 1.469 9.324 1.00 0.00 H new ATOM 0 HA ARG A 10 -1.549 2.512 10.308 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -3.986 1.364 11.638 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -2.582 1.898 12.541 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -2.823 4.164 11.594 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -4.213 3.635 10.667 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -5.419 3.146 12.722 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -4.024 3.622 13.669 1.00 0.00 H new ATOM 0 HE ARG A 10 -4.689 5.813 12.015 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -6.152 3.955 14.652 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -7.055 5.341 15.270 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -5.835 7.541 12.794 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -6.877 7.385 14.213 1.00 0.00 H new ATOM 159 N ILE A 11 -1.987 -0.726 10.398 1.00 0.00 N ATOM 160 CA ILE A 11 -1.303 -1.996 10.607 1.00 0.00 C ATOM 161 C ILE A 11 -0.122 -2.150 9.658 1.00 0.00 C ATOM 162 O ILE A 11 0.959 -2.577 10.063 1.00 0.00 O ATOM 163 CB ILE A 11 -2.259 -3.189 10.418 1.00 0.00 C ATOM 164 CG1 ILE A 11 -3.298 -3.225 11.543 1.00 0.00 C ATOM 165 CG2 ILE A 11 -1.478 -4.494 10.370 1.00 0.00 C ATOM 166 CD1 ILE A 11 -4.436 -4.186 11.292 1.00 0.00 C ATOM 0 H ILE A 11 -2.914 -0.810 9.980 1.00 0.00 H new ATOM 0 HA ILE A 11 -0.940 -1.991 11.635 1.00 0.00 H new ATOM 0 HB ILE A 11 -2.782 -3.066 9.470 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -2.802 -3.499 12.474 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -3.705 -2.223 11.681 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -2.169 -5.327 10.236 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -0.776 -4.467 9.537 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -0.929 -4.624 11.303 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -5.130 -4.155 12.132 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -4.958 -3.901 10.379 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -4.042 -5.196 11.184 1.00 0.00 H new ATOM 178 N PHE A 12 -0.335 -1.798 8.395 1.00 0.00 N ATOM 179 CA PHE A 12 0.681 -1.986 7.366 1.00 0.00 C ATOM 180 C PHE A 12 1.797 -0.958 7.499 1.00 0.00 C ATOM 181 O PHE A 12 2.907 -1.164 7.006 1.00 0.00 O ATOM 182 CB PHE A 12 0.053 -1.903 5.974 1.00 0.00 C ATOM 183 CG PHE A 12 -0.873 -3.043 5.657 1.00 0.00 C ATOM 184 CD1 PHE A 12 -0.959 -4.140 6.501 1.00 0.00 C ATOM 185 CD2 PHE A 12 -1.660 -3.020 4.516 1.00 0.00 C ATOM 186 CE1 PHE A 12 -1.810 -5.190 6.212 1.00 0.00 C ATOM 187 CE2 PHE A 12 -2.513 -4.067 4.225 1.00 0.00 C ATOM 188 CZ PHE A 12 -2.588 -5.154 5.073 1.00 0.00 C ATOM 0 H PHE A 12 -1.203 -1.381 8.059 1.00 0.00 H new ATOM 0 HA PHE A 12 1.114 -2.977 7.501 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -0.497 -0.966 5.889 1.00 0.00 H new ATOM 0 HB3 PHE A 12 0.848 -1.875 5.228 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -0.354 -4.174 7.395 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -1.606 -2.174 3.847 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -1.866 -6.039 6.878 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -3.122 -4.035 3.333 1.00 0.00 H new ATOM 0 HZ PHE A 12 -3.254 -5.974 4.846 1.00 0.00 H new ATOM 198 N ASP A 13 1.499 0.149 8.169 1.00 0.00 N ATOM 199 CA ASP A 13 2.509 1.153 8.481 1.00 0.00 C ATOM 200 C ASP A 13 3.462 0.658 9.561 1.00 0.00 C ATOM 201 O ASP A 13 3.339 1.029 10.729 1.00 0.00 O ATOM 202 CB ASP A 13 1.848 2.461 8.923 1.00 0.00 C ATOM 203 CG ASP A 13 2.818 3.613 9.145 1.00 0.00 C ATOM 204 OD1 ASP A 13 3.991 3.430 8.913 1.00 0.00 O ATOM 205 OD2 ASP A 13 2.366 4.705 9.391 1.00 0.00 O ATOM 0 H ASP A 13 0.564 0.374 8.507 1.00 0.00 H new ATOM 0 HA ASP A 13 3.086 1.337 7.575 1.00 0.00 H new ATOM 0 HB2 ASP A 13 1.118 2.757 8.170 1.00 0.00 H new ATOM 0 HB3 ASP A 13 1.298 2.282 9.847 1.00 0.00 H new ATOM 210 N LYS A 14 4.412 -0.182 9.165 1.00 0.00 N ATOM 211 CA LYS A 14 5.354 -0.775 10.108 1.00 0.00 C ATOM 212 C LYS A 14 6.229 0.290 10.756 1.00 0.00 C ATOM 213 O LYS A 14 6.490 0.246 11.958 1.00 0.00 O ATOM 214 CB LYS A 14 6.226 -1.819 9.409 1.00 0.00 C ATOM 215 CG LYS A 14 7.230 -2.512 10.322 1.00 0.00 C ATOM 216 CD LYS A 14 8.026 -3.566 9.568 1.00 0.00 C ATOM 217 CE LYS A 14 9.055 -4.232 10.469 1.00 0.00 C ATOM 218 NZ LYS A 14 9.864 -5.245 9.737 1.00 0.00 N ATOM 0 H LYS A 14 4.550 -0.468 8.196 1.00 0.00 H new ATOM 0 HA LYS A 14 4.777 -1.264 10.892 1.00 0.00 H new ATOM 0 HB2 LYS A 14 5.580 -2.573 8.961 1.00 0.00 H new ATOM 0 HB3 LYS A 14 6.766 -1.337 8.594 1.00 0.00 H new ATOM 0 HG2 LYS A 14 7.910 -1.773 10.745 1.00 0.00 H new ATOM 0 HG3 LYS A 14 6.705 -2.977 11.157 1.00 0.00 H new ATOM 0 HD2 LYS A 14 7.348 -4.320 9.168 1.00 0.00 H new ATOM 0 HD3 LYS A 14 8.528 -3.106 8.717 1.00 0.00 H new ATOM 0 HE2 LYS A 14 9.716 -3.473 10.887 1.00 0.00 H new ATOM 0 HE3 LYS A 14 8.548 -4.710 11.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 10.553 -5.675 10.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 9.237 -5.984 9.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 10.369 -4.785 8.952 1.00 0.00 H new ATOM 232 N ASP A 15 6.680 1.247 9.952 1.00 0.00 N ATOM 233 CA ASP A 15 7.562 2.302 10.437 1.00 0.00 C ATOM 234 C ASP A 15 6.838 3.221 11.413 1.00 0.00 C ATOM 235 O ASP A 15 7.442 3.754 12.344 1.00 0.00 O ATOM 236 CB ASP A 15 8.120 3.114 9.266 1.00 0.00 C ATOM 237 CG ASP A 15 9.196 2.399 8.460 1.00 0.00 C ATOM 238 OD1 ASP A 15 9.691 1.399 8.924 1.00 0.00 O ATOM 239 OD2 ASP A 15 9.402 2.763 7.327 1.00 0.00 O ATOM 0 H ASP A 15 6.449 1.314 8.961 1.00 0.00 H new ATOM 0 HA ASP A 15 8.389 1.828 10.965 1.00 0.00 H new ATOM 0 HB2 ASP A 15 7.299 3.378 8.599 1.00 0.00 H new ATOM 0 HB3 ASP A 15 8.531 4.047 9.650 1.00 0.00 H new ATOM 244 N GLY A 16 5.540 3.402 11.194 1.00 0.00 N ATOM 245 CA GLY A 16 4.728 4.246 12.063 1.00 0.00 C ATOM 246 C GLY A 16 4.936 5.722 11.750 1.00 0.00 C ATOM 247 O GLY A 16 4.917 6.565 12.645 1.00 0.00 O ATOM 0 H GLY A 16 5.028 2.975 10.422 1.00 0.00 H new ATOM 0 HA2 GLY A 16 3.675 3.991 11.941 1.00 0.00 H new ATOM 0 HA3 GLY A 16 4.985 4.053 13.105 1.00 0.00 H new ATOM 251 N ASN A 17 5.133 6.028 10.471 1.00 0.00 N ATOM 252 CA ASN A 17 5.452 7.386 10.050 1.00 0.00 C ATOM 253 C ASN A 17 4.199 8.141 9.624 1.00 0.00 C ATOM 254 O ASN A 17 4.235 9.352 9.410 1.00 0.00 O ATOM 255 CB ASN A 17 6.475 7.393 8.928 1.00 0.00 C ATOM 256 CG ASN A 17 7.848 6.956 9.358 1.00 0.00 C ATOM 257 OD1 ASN A 17 8.229 7.100 10.525 1.00 0.00 O ATOM 258 ND2 ASN A 17 8.620 6.501 8.405 1.00 0.00 N ATOM 0 H ASN A 17 5.077 5.353 9.709 1.00 0.00 H new ATOM 0 HA ASN A 17 5.886 7.895 10.911 1.00 0.00 H new ATOM 0 HB2 ASN A 17 6.129 6.738 8.129 1.00 0.00 H new ATOM 0 HB3 ASN A 17 6.537 8.398 8.512 1.00 0.00 H new ATOM 0 HD21 ASN A 17 9.586 6.246 8.609 1.00 0.00 H new ATOM 0 HD22 ASN A 17 8.256 6.401 7.458 1.00 0.00 H new ATOM 265 N GLY A 18 3.091 7.417 9.505 1.00 0.00 N ATOM 266 CA GLY A 18 1.830 8.011 9.080 1.00 0.00 C ATOM 267 C GLY A 18 1.645 7.892 7.573 1.00 0.00 C ATOM 268 O GLY A 18 0.863 8.631 6.973 1.00 0.00 O ATOM 0 H GLY A 18 3.041 6.417 9.697 1.00 0.00 H new ATOM 0 HA2 GLY A 18 1.003 7.518 9.591 1.00 0.00 H new ATOM 0 HA3 GLY A 18 1.804 9.061 9.370 1.00 0.00 H new ATOM 272 N PHE A 19 2.368 6.958 6.965 1.00 0.00 N ATOM 273 CA PHE A 19 2.266 6.723 5.530 1.00 0.00 C ATOM 274 C PHE A 19 2.999 5.450 5.127 1.00 0.00 C ATOM 275 O PHE A 19 3.789 4.907 5.898 1.00 0.00 O ATOM 276 CB PHE A 19 2.820 7.918 4.752 1.00 0.00 C ATOM 277 CG PHE A 19 4.239 8.264 5.102 1.00 0.00 C ATOM 278 CD1 PHE A 19 5.297 7.587 4.515 1.00 0.00 C ATOM 279 CD2 PHE A 19 4.519 9.266 6.018 1.00 0.00 C ATOM 280 CE1 PHE A 19 6.604 7.904 4.837 1.00 0.00 C ATOM 281 CE2 PHE A 19 5.823 9.586 6.341 1.00 0.00 C ATOM 282 CZ PHE A 19 6.867 8.904 5.749 1.00 0.00 C ATOM 0 H PHE A 19 3.032 6.350 7.445 1.00 0.00 H new ATOM 0 HA PHE A 19 1.211 6.600 5.286 1.00 0.00 H new ATOM 0 HB2 PHE A 19 2.761 7.704 3.685 1.00 0.00 H new ATOM 0 HB3 PHE A 19 2.188 8.786 4.939 1.00 0.00 H new ATOM 0 HD1 PHE A 19 5.098 6.804 3.799 1.00 0.00 H new ATOM 0 HD2 PHE A 19 3.707 9.803 6.485 1.00 0.00 H new ATOM 0 HE1 PHE A 19 7.419 7.368 4.374 1.00 0.00 H new ATOM 0 HE2 PHE A 19 6.026 10.369 7.056 1.00 0.00 H new ATOM 0 HZ PHE A 19 7.888 9.153 6.000 1.00 0.00 H new ATOM 292 N ILE A 20 2.733 4.980 3.912 1.00 0.00 N ATOM 293 CA ILE A 20 3.359 3.763 3.409 1.00 0.00 C ATOM 294 C ILE A 20 4.432 4.081 2.376 1.00 0.00 C ATOM 295 O ILE A 20 4.169 4.760 1.383 1.00 0.00 O ATOM 296 CB ILE A 20 2.321 2.813 2.782 1.00 0.00 C ATOM 297 CG1 ILE A 20 1.249 2.440 3.809 1.00 0.00 C ATOM 298 CG2 ILE A 20 3.002 1.565 2.242 1.00 0.00 C ATOM 299 CD1 ILE A 20 1.787 1.705 5.015 1.00 0.00 C ATOM 0 H ILE A 20 2.088 5.424 3.258 1.00 0.00 H new ATOM 0 HA ILE A 20 3.820 3.270 4.265 1.00 0.00 H new ATOM 0 HB ILE A 20 1.837 3.327 1.952 1.00 0.00 H new ATOM 0 HG12 ILE A 20 0.748 3.348 4.143 1.00 0.00 H new ATOM 0 HG13 ILE A 20 0.495 1.820 3.324 1.00 0.00 H new ATOM 0 HG21 ILE A 20 2.255 0.904 1.802 1.00 0.00 H new ATOM 0 HG22 ILE A 20 3.729 1.848 1.481 1.00 0.00 H new ATOM 0 HG23 ILE A 20 3.511 1.047 3.055 1.00 0.00 H new ATOM 0 HD11 ILE A 20 0.968 1.475 5.696 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.263 0.778 4.694 1.00 0.00 H new ATOM 0 HD13 ILE A 20 2.519 2.331 5.526 1.00 0.00 H new ATOM 311 N ASP A 21 5.641 3.587 2.616 1.00 0.00 N ATOM 312 CA ASP A 21 6.709 3.664 1.626 1.00 0.00 C ATOM 313 C ASP A 21 6.839 2.358 0.853 1.00 0.00 C ATOM 314 O ASP A 21 6.098 1.405 1.096 1.00 0.00 O ATOM 315 CB ASP A 21 8.040 4.010 2.299 1.00 0.00 C ATOM 316 CG ASP A 21 8.576 2.928 3.227 1.00 0.00 C ATOM 317 OD1 ASP A 21 8.052 1.840 3.203 1.00 0.00 O ATOM 318 OD2 ASP A 21 9.597 3.147 3.833 1.00 0.00 O ATOM 0 H ASP A 21 5.906 3.129 3.488 1.00 0.00 H new ATOM 0 HA ASP A 21 6.452 4.454 0.920 1.00 0.00 H new ATOM 0 HB2 ASP A 21 8.783 4.210 1.527 1.00 0.00 H new ATOM 0 HB3 ASP A 21 7.917 4.931 2.868 1.00 0.00 H new ATOM 323 N ARG A 22 7.784 2.319 -0.079 1.00 0.00 N ATOM 324 CA ARG A 22 7.928 1.181 -0.980 1.00 0.00 C ATOM 325 C ARG A 22 8.335 -0.074 -0.220 1.00 0.00 C ATOM 326 O ARG A 22 7.855 -1.170 -0.510 1.00 0.00 O ATOM 327 CB ARG A 22 8.883 1.474 -2.128 1.00 0.00 C ATOM 328 CG ARG A 22 9.020 0.352 -3.146 1.00 0.00 C ATOM 329 CD ARG A 22 9.880 0.686 -4.311 1.00 0.00 C ATOM 330 NE ARG A 22 9.994 -0.374 -5.299 1.00 0.00 N ATOM 331 CZ ARG A 22 10.849 -1.412 -5.213 1.00 0.00 C ATOM 332 NH1 ARG A 22 11.692 -1.513 -4.209 1.00 0.00 N ATOM 333 NH2 ARG A 22 10.836 -2.314 -6.179 1.00 0.00 N ATOM 0 H ARG A 22 8.464 3.064 -0.231 1.00 0.00 H new ATOM 0 HA ARG A 22 6.950 0.999 -1.425 1.00 0.00 H new ATOM 0 HB2 ARG A 22 8.545 2.373 -2.643 1.00 0.00 H new ATOM 0 HB3 ARG A 22 9.868 1.694 -1.716 1.00 0.00 H new ATOM 0 HG2 ARG A 22 9.428 -0.527 -2.648 1.00 0.00 H new ATOM 0 HG3 ARG A 22 8.028 0.082 -3.507 1.00 0.00 H new ATOM 0 HD2 ARG A 22 9.482 1.577 -4.797 1.00 0.00 H new ATOM 0 HD3 ARG A 22 10.877 0.938 -3.950 1.00 0.00 H new ATOM 0 HE ARG A 22 9.384 -0.329 -6.115 1.00 0.00 H new ATOM 0 HH11 ARG A 22 11.705 -0.799 -3.480 1.00 0.00 H new ATOM 0 HH12 ARG A 22 12.333 -2.305 -4.159 1.00 0.00 H new ATOM 0 HH21 ARG A 22 10.190 -2.213 -6.962 1.00 0.00 H new ATOM 0 HH22 ARG A 22 11.472 -3.111 -6.141 1.00 0.00 H new ATOM 347 N GLU A 23 9.223 0.092 0.754 1.00 0.00 N ATOM 348 CA GLU A 23 9.735 -1.035 1.525 1.00 0.00 C ATOM 349 C GLU A 23 8.626 -1.701 2.328 1.00 0.00 C ATOM 350 O GLU A 23 8.623 -2.919 2.510 1.00 0.00 O ATOM 351 CB GLU A 23 10.859 -0.579 2.458 1.00 0.00 C ATOM 352 CG GLU A 23 12.147 -0.189 1.747 1.00 0.00 C ATOM 353 CD GLU A 23 13.161 0.357 2.714 1.00 0.00 C ATOM 354 OE1 GLU A 23 12.841 0.485 3.871 1.00 0.00 O ATOM 355 OE2 GLU A 23 14.289 0.540 2.320 1.00 0.00 O ATOM 0 H GLU A 23 9.604 0.998 1.029 1.00 0.00 H new ATOM 0 HA GLU A 23 10.133 -1.767 0.822 1.00 0.00 H new ATOM 0 HB2 GLU A 23 10.508 0.273 3.041 1.00 0.00 H new ATOM 0 HB3 GLU A 23 11.076 -1.381 3.164 1.00 0.00 H new ATOM 0 HG2 GLU A 23 12.560 -1.058 1.236 1.00 0.00 H new ATOM 0 HG3 GLU A 23 11.931 0.558 0.983 1.00 0.00 H new ATOM 362 N GLU A 24 7.683 -0.896 2.807 1.00 0.00 N ATOM 363 CA GLU A 24 6.532 -1.414 3.537 1.00 0.00 C ATOM 364 C GLU A 24 5.538 -2.081 2.596 1.00 0.00 C ATOM 365 O GLU A 24 4.936 -3.100 2.934 1.00 0.00 O ATOM 366 CB GLU A 24 5.846 -0.292 4.319 1.00 0.00 C ATOM 367 CG GLU A 24 6.644 0.226 5.507 1.00 0.00 C ATOM 368 CD GLU A 24 6.046 1.491 6.057 1.00 0.00 C ATOM 369 OE1 GLU A 24 5.823 2.401 5.295 1.00 0.00 O ATOM 370 OE2 GLU A 24 5.707 1.510 7.217 1.00 0.00 O ATOM 0 H GLU A 24 7.694 0.119 2.702 1.00 0.00 H new ATOM 0 HA GLU A 24 6.892 -2.166 4.239 1.00 0.00 H new ATOM 0 HB2 GLU A 24 5.647 0.538 3.641 1.00 0.00 H new ATOM 0 HB3 GLU A 24 4.880 -0.651 4.675 1.00 0.00 H new ATOM 0 HG2 GLU A 24 6.673 -0.534 6.288 1.00 0.00 H new ATOM 0 HG3 GLU A 24 7.674 0.410 5.203 1.00 0.00 H new ATOM 377 N PHE A 25 5.369 -1.499 1.413 1.00 0.00 N ATOM 378 CA PHE A 25 4.467 -2.052 0.410 1.00 0.00 C ATOM 379 C PHE A 25 4.951 -3.413 -0.075 1.00 0.00 C ATOM 380 O PHE A 25 4.148 -4.280 -0.424 1.00 0.00 O ATOM 381 CB PHE A 25 4.330 -1.091 -0.772 1.00 0.00 C ATOM 382 CG PHE A 25 3.400 -1.580 -1.845 1.00 0.00 C ATOM 383 CD1 PHE A 25 2.090 -1.923 -1.545 1.00 0.00 C ATOM 384 CD2 PHE A 25 3.833 -1.699 -3.158 1.00 0.00 C ATOM 385 CE1 PHE A 25 1.233 -2.373 -2.532 1.00 0.00 C ATOM 386 CE2 PHE A 25 2.978 -2.148 -4.147 1.00 0.00 C ATOM 387 CZ PHE A 25 1.677 -2.486 -3.833 1.00 0.00 C ATOM 0 H PHE A 25 5.845 -0.644 1.126 1.00 0.00 H new ATOM 0 HA PHE A 25 3.490 -2.184 0.875 1.00 0.00 H new ATOM 0 HB2 PHE A 25 3.974 -0.128 -0.406 1.00 0.00 H new ATOM 0 HB3 PHE A 25 5.315 -0.922 -1.207 1.00 0.00 H new ATOM 0 HD1 PHE A 25 1.735 -1.838 -0.528 1.00 0.00 H new ATOM 0 HD2 PHE A 25 4.850 -1.438 -3.410 1.00 0.00 H new ATOM 0 HE1 PHE A 25 0.215 -2.636 -2.284 1.00 0.00 H new ATOM 0 HE2 PHE A 25 3.328 -2.234 -5.165 1.00 0.00 H new ATOM 0 HZ PHE A 25 1.008 -2.838 -4.604 1.00 0.00 H new ATOM 397 N GLY A 26 6.266 -3.596 -0.094 1.00 0.00 N ATOM 398 CA GLY A 26 6.856 -4.880 -0.451 1.00 0.00 C ATOM 399 C GLY A 26 6.420 -5.975 0.514 1.00 0.00 C ATOM 400 O GLY A 26 6.490 -7.161 0.195 1.00 0.00 O ATOM 0 H GLY A 26 6.945 -2.870 0.134 1.00 0.00 H new ATOM 0 HA2 GLY A 26 6.562 -5.148 -1.466 1.00 0.00 H new ATOM 0 HA3 GLY A 26 7.943 -4.798 -0.445 1.00 0.00 H new ATOM 404 N ASP A 27 5.969 -5.568 1.696 1.00 0.00 N ATOM 405 CA ASP A 27 5.413 -6.503 2.667 1.00 0.00 C ATOM 406 C ASP A 27 3.896 -6.585 2.545 1.00 0.00 C ATOM 407 O ASP A 27 3.304 -7.644 2.751 1.00 0.00 O ATOM 408 CB ASP A 27 5.804 -6.098 4.089 1.00 0.00 C ATOM 409 CG ASP A 27 7.302 -6.144 4.367 1.00 0.00 C ATOM 410 OD1 ASP A 27 7.889 -7.182 4.180 1.00 0.00 O ATOM 411 OD2 ASP A 27 7.872 -5.108 4.611 1.00 0.00 O ATOM 0 H ASP A 27 5.978 -4.596 2.005 1.00 0.00 H new ATOM 0 HA ASP A 27 5.827 -7.488 2.454 1.00 0.00 H new ATOM 0 HB2 ASP A 27 5.442 -5.087 4.278 1.00 0.00 H new ATOM 0 HB3 ASP A 27 5.296 -6.756 4.794 1.00 0.00 H new ATOM 416 N ILE A 28 3.273 -5.461 2.210 1.00 0.00 N ATOM 417 CA ILE A 28 1.824 -5.401 2.069 1.00 0.00 C ATOM 418 C ILE A 28 1.328 -6.406 1.037 1.00 0.00 C ATOM 419 O ILE A 28 0.293 -7.045 1.225 1.00 0.00 O ATOM 420 CB ILE A 28 1.353 -3.992 1.667 1.00 0.00 C ATOM 421 CG1 ILE A 28 1.564 -3.009 2.822 1.00 0.00 C ATOM 422 CG2 ILE A 28 -0.110 -4.018 1.249 1.00 0.00 C ATOM 423 CD1 ILE A 28 1.288 -1.568 2.456 1.00 0.00 C ATOM 0 H ILE A 28 3.750 -4.578 2.031 1.00 0.00 H new ATOM 0 HA ILE A 28 1.404 -5.650 3.044 1.00 0.00 H new ATOM 0 HB ILE A 28 1.947 -3.658 0.816 1.00 0.00 H new ATOM 0 HG12 ILE A 28 0.917 -3.294 3.652 1.00 0.00 H new ATOM 0 HG13 ILE A 28 2.592 -3.094 3.176 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -0.426 -3.013 0.968 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -0.234 -4.688 0.398 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -0.720 -4.371 2.081 1.00 0.00 H new ATOM 0 HD11 ILE A 28 1.459 -0.933 3.325 1.00 0.00 H new ATOM 0 HD12 ILE A 28 1.953 -1.264 1.648 1.00 0.00 H new ATOM 0 HD13 ILE A 28 0.252 -1.467 2.131 1.00 0.00 H new ATOM 435 N ILE A 29 2.073 -6.541 -0.055 1.00 0.00 N ATOM 436 CA ILE A 29 1.705 -7.461 -1.125 1.00 0.00 C ATOM 437 C ILE A 29 1.737 -8.906 -0.644 1.00 0.00 C ATOM 438 O ILE A 29 1.128 -9.787 -1.251 1.00 0.00 O ATOM 439 CB ILE A 29 2.637 -7.315 -2.341 1.00 0.00 C ATOM 440 CG1 ILE A 29 4.077 -7.666 -1.957 1.00 0.00 C ATOM 441 CG2 ILE A 29 2.562 -5.902 -2.902 1.00 0.00 C ATOM 442 CD1 ILE A 29 5.049 -7.606 -3.112 1.00 0.00 C ATOM 0 H ILE A 29 2.936 -6.024 -0.222 1.00 0.00 H new ATOM 0 HA ILE A 29 0.689 -7.203 -1.425 1.00 0.00 H new ATOM 0 HB ILE A 29 2.309 -8.010 -3.114 1.00 0.00 H new ATOM 0 HG12 ILE A 29 4.412 -6.982 -1.177 1.00 0.00 H new ATOM 0 HG13 ILE A 29 4.095 -8.669 -1.531 1.00 0.00 H new ATOM 0 HG21 ILE A 29 3.227 -5.816 -3.761 1.00 0.00 H new ATOM 0 HG22 ILE A 29 1.539 -5.687 -3.212 1.00 0.00 H new ATOM 0 HG23 ILE A 29 2.866 -5.189 -2.135 1.00 0.00 H new ATOM 0 HD11 ILE A 29 6.047 -7.867 -2.761 1.00 0.00 H new ATOM 0 HD12 ILE A 29 4.740 -8.310 -3.884 1.00 0.00 H new ATOM 0 HD13 ILE A 29 5.062 -6.597 -3.525 1.00 0.00 H new ATOM 454 N ARG A 30 2.449 -9.144 0.452 1.00 0.00 N ATOM 455 CA ARG A 30 2.512 -10.471 1.053 1.00 0.00 C ATOM 456 C ARG A 30 1.525 -10.601 2.205 1.00 0.00 C ATOM 457 O ARG A 30 1.051 -11.695 2.510 1.00 0.00 O ATOM 458 CB ARG A 30 3.923 -10.841 1.484 1.00 0.00 C ATOM 459 CG ARG A 30 4.948 -10.872 0.360 1.00 0.00 C ATOM 460 CD ARG A 30 6.315 -11.262 0.789 1.00 0.00 C ATOM 461 NE ARG A 30 7.008 -10.258 1.580 1.00 0.00 N ATOM 462 CZ ARG A 30 8.258 -10.393 2.063 1.00 0.00 C ATOM 463 NH1 ARG A 30 8.942 -11.501 1.872 1.00 0.00 N ATOM 464 NH2 ARG A 30 8.771 -9.392 2.757 1.00 0.00 N ATOM 0 H ARG A 30 2.992 -8.434 0.943 1.00 0.00 H new ATOM 0 HA ARG A 30 2.222 -11.185 0.282 1.00 0.00 H new ATOM 0 HB2 ARG A 30 4.255 -10.129 2.240 1.00 0.00 H new ATOM 0 HB3 ARG A 30 3.897 -11.821 1.960 1.00 0.00 H new ATOM 0 HG2 ARG A 30 4.608 -11.568 -0.407 1.00 0.00 H new ATOM 0 HG3 ARG A 30 4.993 -9.886 -0.102 1.00 0.00 H new ATOM 0 HD2 ARG A 30 6.251 -12.183 1.369 1.00 0.00 H new ATOM 0 HD3 ARG A 30 6.911 -11.483 -0.097 1.00 0.00 H new ATOM 0 HE ARG A 30 6.512 -9.390 1.784 1.00 0.00 H new ATOM 0 HH11 ARG A 30 8.526 -12.274 1.352 1.00 0.00 H new ATOM 0 HH12 ARG A 30 9.888 -11.587 2.244 1.00 0.00 H new ATOM 0 HH21 ARG A 30 8.223 -8.546 2.914 1.00 0.00 H new ATOM 0 HH22 ARG A 30 9.715 -9.465 3.136 1.00 0.00 H new ATOM 478 N LEU A 31 1.219 -9.477 2.845 1.00 0.00 N ATOM 479 CA LEU A 31 0.220 -9.447 3.907 1.00 0.00 C ATOM 480 C LEU A 31 -1.184 -9.628 3.347 1.00 0.00 C ATOM 481 O LEU A 31 -2.077 -10.127 4.031 1.00 0.00 O ATOM 482 CB LEU A 31 0.318 -8.131 4.690 1.00 0.00 C ATOM 483 CG LEU A 31 1.599 -7.957 5.516 1.00 0.00 C ATOM 484 CD1 LEU A 31 1.671 -6.543 6.075 1.00 0.00 C ATOM 485 CD2 LEU A 31 1.624 -8.983 6.640 1.00 0.00 C ATOM 0 H LEU A 31 1.649 -8.574 2.646 1.00 0.00 H new ATOM 0 HA LEU A 31 0.420 -10.277 4.584 1.00 0.00 H new ATOM 0 HB2 LEU A 31 0.243 -7.302 3.987 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -0.539 -8.060 5.359 1.00 0.00 H new ATOM 0 HG LEU A 31 2.468 -8.116 4.877 1.00 0.00 H new ATOM 0 HD11 LEU A 31 2.584 -6.429 6.660 1.00 0.00 H new ATOM 0 HD12 LEU A 31 1.675 -5.827 5.253 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.806 -6.359 6.713 1.00 0.00 H new ATOM 0 HD21 LEU A 31 2.535 -8.858 7.226 1.00 0.00 H new ATOM 0 HD22 LEU A 31 0.756 -8.839 7.283 1.00 0.00 H new ATOM 0 HD23 LEU A 31 1.600 -9.987 6.217 1.00 0.00 H new ATOM 497 N THR A 32 -1.374 -9.218 2.097 1.00 0.00 N ATOM 498 CA THR A 32 -2.648 -9.411 1.413 1.00 0.00 C ATOM 499 C THR A 32 -2.660 -10.717 0.630 1.00 0.00 C ATOM 500 O THR A 32 -3.723 -11.247 0.306 1.00 0.00 O ATOM 501 CB THR A 32 -2.955 -8.246 0.454 1.00 0.00 C ATOM 502 OG1 THR A 32 -1.928 -8.159 -0.542 1.00 0.00 O ATOM 503 CG2 THR A 32 -3.029 -6.931 1.217 1.00 0.00 C ATOM 0 H THR A 32 -0.662 -8.750 1.537 1.00 0.00 H new ATOM 0 HA THR A 32 -3.417 -9.447 2.185 1.00 0.00 H new ATOM 0 HB THR A 32 -3.918 -8.433 -0.022 1.00 0.00 H new ATOM 0 HG1 THR A 32 -1.119 -7.775 -0.145 1.00 0.00 H new ATOM 0 HG21 THR A 32 -3.247 -6.119 0.523 1.00 0.00 H new ATOM 0 HG22 THR A 32 -3.818 -6.989 1.966 1.00 0.00 H new ATOM 0 HG23 THR A 32 -2.075 -6.742 1.709 1.00 0.00 H new ATOM 511 N GLY A 33 -1.473 -11.231 0.327 1.00 0.00 N ATOM 512 CA GLY A 33 -1.345 -12.522 -0.338 1.00 0.00 C ATOM 513 C GLY A 33 -1.703 -12.418 -1.815 1.00 0.00 C ATOM 514 O GLY A 33 -2.419 -13.265 -2.350 1.00 0.00 O ATOM 0 H GLY A 33 -0.585 -10.773 0.532 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -0.324 -12.888 -0.233 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -1.996 -13.250 0.146 1.00 0.00 H new ATOM 518 N GLU A 34 -1.202 -11.375 -2.469 1.00 0.00 N ATOM 519 CA GLU A 34 -1.506 -11.134 -3.874 1.00 0.00 C ATOM 520 C GLU A 34 -0.352 -11.566 -4.770 1.00 0.00 C ATOM 521 O GLU A 34 0.813 -11.304 -4.467 1.00 0.00 O ATOM 522 CB GLU A 34 -1.828 -9.656 -4.107 1.00 0.00 C ATOM 523 CG GLU A 34 -3.177 -9.213 -3.557 1.00 0.00 C ATOM 524 CD GLU A 34 -4.304 -9.978 -4.195 1.00 0.00 C ATOM 525 OE1 GLU A 34 -4.391 -9.977 -5.399 1.00 0.00 O ATOM 526 OE2 GLU A 34 -5.012 -10.654 -3.485 1.00 0.00 O ATOM 0 H GLU A 34 -0.583 -10.683 -2.047 1.00 0.00 H new ATOM 0 HA GLU A 34 -2.380 -11.732 -4.133 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -1.046 -9.050 -3.650 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -1.802 -9.455 -5.178 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -3.199 -9.362 -2.477 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -3.312 -8.146 -3.735 1.00 0.00 H new ATOM 533 N GLN A 35 -0.682 -12.227 -5.874 1.00 0.00 N ATOM 534 CA GLN A 35 0.329 -12.709 -6.809 1.00 0.00 C ATOM 535 C GLN A 35 0.814 -11.588 -7.720 1.00 0.00 C ATOM 536 O GLN A 35 0.382 -11.477 -8.868 1.00 0.00 O ATOM 537 CB GLN A 35 -0.229 -13.857 -7.655 1.00 0.00 C ATOM 538 CG GLN A 35 -0.705 -15.051 -6.847 1.00 0.00 C ATOM 539 CD GLN A 35 0.411 -15.684 -6.036 1.00 0.00 C ATOM 540 OE1 GLN A 35 1.442 -16.085 -6.582 1.00 0.00 O ATOM 541 NE2 GLN A 35 0.208 -15.781 -4.727 1.00 0.00 N ATOM 0 H GLN A 35 -1.642 -12.442 -6.144 1.00 0.00 H new ATOM 0 HA GLN A 35 1.175 -13.071 -6.226 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -1.060 -13.482 -8.253 1.00 0.00 H new ATOM 0 HB3 GLN A 35 0.541 -14.188 -8.352 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -1.504 -14.737 -6.176 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -1.129 -15.796 -7.520 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -0.661 -15.436 -4.319 1.00 0.00 H new ATOM 0 HE22 GLN A 35 0.921 -16.201 -4.130 1.00 0.00 H new ATOM 550 N LEU A 36 1.714 -10.760 -7.202 1.00 0.00 N ATOM 551 CA LEU A 36 2.235 -9.626 -7.955 1.00 0.00 C ATOM 552 C LEU A 36 3.699 -9.836 -8.324 1.00 0.00 C ATOM 553 O LEU A 36 4.481 -10.354 -7.527 1.00 0.00 O ATOM 554 CB LEU A 36 2.068 -8.332 -7.151 1.00 0.00 C ATOM 555 CG LEU A 36 0.624 -7.984 -6.765 1.00 0.00 C ATOM 556 CD1 LEU A 36 0.605 -6.751 -5.872 1.00 0.00 C ATOM 557 CD2 LEU A 36 -0.196 -7.752 -8.024 1.00 0.00 C ATOM 0 H LEU A 36 2.098 -10.853 -6.262 1.00 0.00 H new ATOM 0 HA LEU A 36 1.664 -9.543 -8.879 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.662 -8.410 -6.240 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.481 -7.507 -7.731 1.00 0.00 H new ATOM 0 HG LEU A 36 0.186 -8.813 -6.209 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.424 -6.512 -5.603 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.180 -6.948 -4.967 1.00 0.00 H new ATOM 0 HD13 LEU A 36 1.046 -5.909 -6.405 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -1.222 -7.505 -7.750 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.236 -6.929 -8.593 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -0.191 -8.656 -8.633 1.00 0.00 H new ATOM 569 N THR A 37 4.063 -9.430 -9.535 1.00 0.00 N ATOM 570 CA THR A 37 5.457 -9.446 -9.962 1.00 0.00 C ATOM 571 C THR A 37 6.183 -8.181 -9.523 1.00 0.00 C ATOM 572 O THR A 37 5.566 -7.245 -9.014 1.00 0.00 O ATOM 573 CB THR A 37 5.579 -9.590 -11.490 1.00 0.00 C ATOM 574 OG1 THR A 37 5.071 -8.410 -12.126 1.00 0.00 O ATOM 575 CG2 THR A 37 4.795 -10.800 -11.975 1.00 0.00 C ATOM 0 H THR A 37 3.411 -9.085 -10.239 1.00 0.00 H new ATOM 0 HA THR A 37 5.920 -10.311 -9.486 1.00 0.00 H new ATOM 0 HB THR A 37 6.630 -9.724 -11.745 1.00 0.00 H new ATOM 0 HG1 THR A 37 5.151 -8.502 -13.098 1.00 0.00 H new ATOM 0 HG21 THR A 37 4.892 -10.887 -13.057 1.00 0.00 H new ATOM 0 HG22 THR A 37 5.187 -11.701 -11.502 1.00 0.00 H new ATOM 0 HG23 THR A 37 3.744 -10.681 -11.714 1.00 0.00 H new ATOM 583 N ASP A 38 7.496 -8.159 -9.720 1.00 0.00 N ATOM 584 CA ASP A 38 8.299 -6.983 -9.408 1.00 0.00 C ATOM 585 C ASP A 38 7.818 -5.765 -10.186 1.00 0.00 C ATOM 586 O ASP A 38 7.839 -4.643 -9.677 1.00 0.00 O ATOM 587 CB ASP A 38 9.777 -7.247 -9.707 1.00 0.00 C ATOM 588 CG ASP A 38 10.462 -8.180 -8.717 1.00 0.00 C ATOM 589 OD1 ASP A 38 9.890 -8.444 -7.686 1.00 0.00 O ATOM 590 OD2 ASP A 38 11.473 -8.741 -9.064 1.00 0.00 O ATOM 0 H ASP A 38 8.028 -8.944 -10.095 1.00 0.00 H new ATOM 0 HA ASP A 38 8.185 -6.775 -8.344 1.00 0.00 H new ATOM 0 HB2 ASP A 38 9.863 -7.672 -10.707 1.00 0.00 H new ATOM 0 HB3 ASP A 38 10.309 -6.295 -9.718 1.00 0.00 H new ATOM 595 N GLU A 39 7.383 -5.992 -11.421 1.00 0.00 N ATOM 596 CA GLU A 39 6.831 -4.925 -12.247 1.00 0.00 C ATOM 597 C GLU A 39 5.458 -4.496 -11.746 1.00 0.00 C ATOM 598 O GLU A 39 5.124 -3.312 -11.758 1.00 0.00 O ATOM 599 CB GLU A 39 6.743 -5.369 -13.709 1.00 0.00 C ATOM 600 CG GLU A 39 8.090 -5.532 -14.398 1.00 0.00 C ATOM 601 CD GLU A 39 7.928 -6.068 -15.793 1.00 0.00 C ATOM 602 OE1 GLU A 39 6.819 -6.359 -16.173 1.00 0.00 O ATOM 603 OE2 GLU A 39 8.894 -6.082 -16.519 1.00 0.00 O ATOM 0 H GLU A 39 7.402 -6.907 -11.872 1.00 0.00 H new ATOM 0 HA GLU A 39 7.502 -4.069 -12.178 1.00 0.00 H new ATOM 0 HB2 GLU A 39 6.207 -6.317 -13.757 1.00 0.00 H new ATOM 0 HB3 GLU A 39 6.151 -4.640 -14.263 1.00 0.00 H new ATOM 0 HG2 GLU A 39 8.602 -4.570 -14.433 1.00 0.00 H new ATOM 0 HG3 GLU A 39 8.719 -6.207 -13.817 1.00 0.00 H new ATOM 610 N ASP A 40 4.664 -5.467 -11.306 1.00 0.00 N ATOM 611 CA ASP A 40 3.351 -5.186 -10.740 1.00 0.00 C ATOM 612 C ASP A 40 3.462 -4.315 -9.496 1.00 0.00 C ATOM 613 O ASP A 40 2.652 -3.412 -9.284 1.00 0.00 O ATOM 614 CB ASP A 40 2.620 -6.489 -10.406 1.00 0.00 C ATOM 615 CG ASP A 40 2.181 -7.293 -11.622 1.00 0.00 C ATOM 616 OD1 ASP A 40 2.147 -6.740 -12.696 1.00 0.00 O ATOM 617 OD2 ASP A 40 2.033 -8.486 -11.499 1.00 0.00 O ATOM 0 H ASP A 40 4.908 -6.457 -11.331 1.00 0.00 H new ATOM 0 HA ASP A 40 2.777 -4.640 -11.488 1.00 0.00 H new ATOM 0 HB2 ASP A 40 3.272 -7.110 -9.791 1.00 0.00 H new ATOM 0 HB3 ASP A 40 1.742 -6.255 -9.804 1.00 0.00 H new ATOM 622 N VAL A 41 4.469 -4.591 -8.674 1.00 0.00 N ATOM 623 CA VAL A 41 4.677 -3.845 -7.439 1.00 0.00 C ATOM 624 C VAL A 41 4.988 -2.382 -7.724 1.00 0.00 C ATOM 625 O VAL A 41 4.382 -1.483 -7.142 1.00 0.00 O ATOM 626 CB VAL A 41 5.820 -4.449 -6.600 1.00 0.00 C ATOM 627 CG1 VAL A 41 6.161 -3.537 -5.431 1.00 0.00 C ATOM 628 CG2 VAL A 41 5.438 -5.833 -6.099 1.00 0.00 C ATOM 0 H VAL A 41 5.155 -5.327 -8.842 1.00 0.00 H new ATOM 0 HA VAL A 41 3.748 -3.911 -6.872 1.00 0.00 H new ATOM 0 HB VAL A 41 6.701 -4.542 -7.235 1.00 0.00 H new ATOM 0 HG11 VAL A 41 6.970 -3.979 -4.849 1.00 0.00 H new ATOM 0 HG12 VAL A 41 6.475 -2.564 -5.808 1.00 0.00 H new ATOM 0 HG13 VAL A 41 5.283 -3.414 -4.797 1.00 0.00 H new ATOM 0 HG21 VAL A 41 6.256 -6.245 -5.508 1.00 0.00 H new ATOM 0 HG22 VAL A 41 4.544 -5.762 -5.480 1.00 0.00 H new ATOM 0 HG23 VAL A 41 5.240 -6.486 -6.949 1.00 0.00 H new ATOM 638 N ASP A 42 5.937 -2.148 -8.625 1.00 0.00 N ATOM 639 CA ASP A 42 6.349 -0.793 -8.972 1.00 0.00 C ATOM 640 C ASP A 42 5.247 -0.058 -9.722 1.00 0.00 C ATOM 641 O ASP A 42 5.069 1.150 -9.558 1.00 0.00 O ATOM 642 CB ASP A 42 7.629 -0.819 -9.810 1.00 0.00 C ATOM 643 CG ASP A 42 8.885 -1.182 -9.030 1.00 0.00 C ATOM 644 OD1 ASP A 42 8.824 -1.212 -7.823 1.00 0.00 O ATOM 645 OD2 ASP A 42 9.847 -1.578 -9.642 1.00 0.00 O ATOM 0 H ASP A 42 6.436 -2.881 -9.129 1.00 0.00 H new ATOM 0 HA ASP A 42 6.546 -0.257 -8.044 1.00 0.00 H new ATOM 0 HB2 ASP A 42 7.502 -1.534 -10.623 1.00 0.00 H new ATOM 0 HB3 ASP A 42 7.770 0.161 -10.266 1.00 0.00 H new ATOM 650 N GLU A 43 4.507 -0.792 -10.546 1.00 0.00 N ATOM 651 CA GLU A 43 3.406 -0.215 -11.309 1.00 0.00 C ATOM 652 C GLU A 43 2.283 0.248 -10.388 1.00 0.00 C ATOM 653 O GLU A 43 1.815 1.382 -10.487 1.00 0.00 O ATOM 654 CB GLU A 43 2.870 -1.225 -12.325 1.00 0.00 C ATOM 655 CG GLU A 43 1.737 -0.700 -13.195 1.00 0.00 C ATOM 656 CD GLU A 43 1.293 -1.732 -14.194 1.00 0.00 C ATOM 657 OE1 GLU A 43 1.854 -2.801 -14.205 1.00 0.00 O ATOM 658 OE2 GLU A 43 0.319 -1.495 -14.870 1.00 0.00 O ATOM 0 H GLU A 43 4.650 -1.790 -10.703 1.00 0.00 H new ATOM 0 HA GLU A 43 3.790 0.654 -11.844 1.00 0.00 H new ATOM 0 HB2 GLU A 43 3.689 -1.543 -12.970 1.00 0.00 H new ATOM 0 HB3 GLU A 43 2.522 -2.109 -11.791 1.00 0.00 H new ATOM 0 HG2 GLU A 43 0.894 -0.414 -12.565 1.00 0.00 H new ATOM 0 HG3 GLU A 43 2.064 0.199 -13.718 1.00 0.00 H new ATOM 665 N ILE A 44 1.855 -0.636 -9.495 1.00 0.00 N ATOM 666 CA ILE A 44 0.781 -0.322 -8.559 1.00 0.00 C ATOM 667 C ILE A 44 1.197 0.782 -7.595 1.00 0.00 C ATOM 668 O ILE A 44 0.425 1.702 -7.319 1.00 0.00 O ATOM 669 CB ILE A 44 0.354 -1.562 -7.752 1.00 0.00 C ATOM 670 CG1 ILE A 44 -0.344 -2.576 -8.662 1.00 0.00 C ATOM 671 CG2 ILE A 44 -0.555 -1.159 -6.601 1.00 0.00 C ATOM 672 CD1 ILE A 44 -0.570 -3.923 -8.013 1.00 0.00 C ATOM 0 H ILE A 44 2.235 -1.577 -9.399 1.00 0.00 H new ATOM 0 HA ILE A 44 -0.065 0.020 -9.155 1.00 0.00 H new ATOM 0 HB ILE A 44 1.246 -2.031 -7.336 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -1.305 -2.168 -8.975 1.00 0.00 H new ATOM 0 HG13 ILE A 44 0.253 -2.713 -9.563 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -0.848 -2.047 -6.041 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -0.024 -0.472 -5.942 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -1.445 -0.669 -6.995 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -1.069 -4.588 -8.718 1.00 0.00 H new ATOM 0 HD12 ILE A 44 0.389 -4.353 -7.725 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -1.193 -3.800 -7.127 1.00 0.00 H new ATOM 684 N PHE A 45 2.420 0.686 -7.085 1.00 0.00 N ATOM 685 CA PHE A 45 2.952 1.692 -6.174 1.00 0.00 C ATOM 686 C PHE A 45 2.962 3.071 -6.822 1.00 0.00 C ATOM 687 O PHE A 45 2.531 4.054 -6.219 1.00 0.00 O ATOM 688 CB PHE A 45 4.363 1.313 -5.723 1.00 0.00 C ATOM 689 CG PHE A 45 4.944 2.246 -4.699 1.00 0.00 C ATOM 690 CD1 PHE A 45 4.636 2.102 -3.354 1.00 0.00 C ATOM 691 CD2 PHE A 45 5.799 3.271 -5.078 1.00 0.00 C ATOM 692 CE1 PHE A 45 5.170 2.960 -2.411 1.00 0.00 C ATOM 693 CE2 PHE A 45 6.334 4.129 -4.139 1.00 0.00 C ATOM 694 CZ PHE A 45 6.019 3.973 -2.803 1.00 0.00 C ATOM 0 H PHE A 45 3.062 -0.080 -7.288 1.00 0.00 H new ATOM 0 HA PHE A 45 2.300 1.730 -5.301 1.00 0.00 H new ATOM 0 HB2 PHE A 45 4.344 0.304 -5.312 1.00 0.00 H new ATOM 0 HB3 PHE A 45 5.019 1.290 -6.593 1.00 0.00 H new ATOM 0 HD1 PHE A 45 3.971 1.311 -3.040 1.00 0.00 H new ATOM 0 HD2 PHE A 45 6.049 3.399 -6.121 1.00 0.00 H new ATOM 0 HE1 PHE A 45 4.922 2.837 -1.367 1.00 0.00 H new ATOM 0 HE2 PHE A 45 6.999 4.922 -4.448 1.00 0.00 H new ATOM 0 HZ PHE A 45 6.437 4.644 -2.067 1.00 0.00 H new ATOM 704 N GLY A 46 3.456 3.137 -8.054 1.00 0.00 N ATOM 705 CA GLY A 46 3.546 4.400 -8.777 1.00 0.00 C ATOM 706 C GLY A 46 2.163 4.951 -9.097 1.00 0.00 C ATOM 707 O GLY A 46 1.945 6.162 -9.071 1.00 0.00 O ATOM 0 H GLY A 46 3.801 2.329 -8.573 1.00 0.00 H new ATOM 0 HA2 GLY A 46 4.100 5.125 -8.181 1.00 0.00 H new ATOM 0 HA3 GLY A 46 4.105 4.254 -9.701 1.00 0.00 H new ATOM 711 N ASP A 47 1.230 4.055 -9.400 1.00 0.00 N ATOM 712 CA ASP A 47 -0.138 4.449 -9.717 1.00 0.00 C ATOM 713 C ASP A 47 -0.859 4.976 -8.484 1.00 0.00 C ATOM 714 O ASP A 47 -1.628 5.933 -8.564 1.00 0.00 O ATOM 715 CB ASP A 47 -0.910 3.271 -10.316 1.00 0.00 C ATOM 716 CG ASP A 47 -0.537 2.939 -11.754 1.00 0.00 C ATOM 717 OD1 ASP A 47 0.129 3.735 -12.374 1.00 0.00 O ATOM 718 OD2 ASP A 47 -0.783 1.833 -12.171 1.00 0.00 O ATOM 0 H ASP A 47 1.397 3.049 -9.433 1.00 0.00 H new ATOM 0 HA ASP A 47 -0.092 5.252 -10.453 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -0.741 2.390 -9.697 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -1.977 3.492 -10.272 1.00 0.00 H new ATOM 723 N SER A 48 -0.606 4.344 -7.342 1.00 0.00 N ATOM 724 CA SER A 48 -1.169 4.797 -6.076 1.00 0.00 C ATOM 725 C SER A 48 -0.527 6.102 -5.622 1.00 0.00 C ATOM 726 O SER A 48 -1.170 6.930 -4.978 1.00 0.00 O ATOM 727 CB SER A 48 -0.994 3.728 -5.015 1.00 0.00 C ATOM 728 OG SER A 48 -1.732 2.572 -5.306 1.00 0.00 O ATOM 0 H SER A 48 -0.014 3.516 -7.268 1.00 0.00 H new ATOM 0 HA SER A 48 -2.233 4.981 -6.225 1.00 0.00 H new ATOM 0 HB2 SER A 48 0.062 3.472 -4.930 1.00 0.00 H new ATOM 0 HB3 SER A 48 -1.305 4.123 -4.048 1.00 0.00 H new ATOM 0 HG SER A 48 -1.257 2.042 -5.980 1.00 0.00 H new ATOM 734 N ASP A 49 0.745 6.280 -5.964 1.00 0.00 N ATOM 735 CA ASP A 49 1.453 7.520 -5.666 1.00 0.00 C ATOM 736 C ASP A 49 1.005 8.646 -6.588 1.00 0.00 C ATOM 737 O ASP A 49 1.715 9.014 -7.523 1.00 0.00 O ATOM 738 CB ASP A 49 2.965 7.315 -5.781 1.00 0.00 C ATOM 739 CG ASP A 49 3.797 8.512 -5.339 1.00 0.00 C ATOM 740 OD1 ASP A 49 3.238 9.426 -4.781 1.00 0.00 O ATOM 741 OD2 ASP A 49 4.999 8.436 -5.421 1.00 0.00 O ATOM 0 H ASP A 49 1.307 5.580 -6.448 1.00 0.00 H new ATOM 0 HA ASP A 49 1.212 7.803 -4.641 1.00 0.00 H new ATOM 0 HB2 ASP A 49 3.249 6.450 -5.182 1.00 0.00 H new ATOM 0 HB3 ASP A 49 3.210 7.080 -6.817 1.00 0.00 H new ATOM 746 N THR A 50 -0.177 9.190 -6.319 1.00 0.00 N ATOM 747 CA THR A 50 -0.778 10.188 -7.196 1.00 0.00 C ATOM 748 C THR A 50 -0.059 11.525 -7.082 1.00 0.00 C ATOM 749 O THR A 50 -0.060 12.323 -8.020 1.00 0.00 O ATOM 750 CB THR A 50 -2.271 10.391 -6.880 1.00 0.00 C ATOM 751 OG1 THR A 50 -2.418 10.871 -5.537 1.00 0.00 O ATOM 752 CG2 THR A 50 -3.032 9.082 -7.031 1.00 0.00 C ATOM 0 H THR A 50 -0.738 8.956 -5.500 1.00 0.00 H new ATOM 0 HA THR A 50 -0.679 9.812 -8.214 1.00 0.00 H new ATOM 0 HB THR A 50 -2.678 11.120 -7.581 1.00 0.00 H new ATOM 0 HG1 THR A 50 -1.618 10.644 -5.019 1.00 0.00 H new ATOM 0 HG21 THR A 50 -4.085 9.245 -6.804 1.00 0.00 H new ATOM 0 HG22 THR A 50 -2.934 8.720 -8.054 1.00 0.00 H new ATOM 0 HG23 THR A 50 -2.623 8.342 -6.343 1.00 0.00 H new ATOM 760 N ASP A 51 0.555 11.766 -5.929 1.00 0.00 N ATOM 761 CA ASP A 51 1.342 12.975 -5.716 1.00 0.00 C ATOM 762 C ASP A 51 2.748 12.822 -6.282 1.00 0.00 C ATOM 763 O ASP A 51 3.483 13.800 -6.416 1.00 0.00 O ATOM 764 CB ASP A 51 1.409 13.316 -4.226 1.00 0.00 C ATOM 765 CG ASP A 51 0.105 13.841 -3.641 1.00 0.00 C ATOM 766 OD1 ASP A 51 -0.765 14.194 -4.402 1.00 0.00 O ATOM 767 OD2 ASP A 51 -0.073 13.739 -2.451 1.00 0.00 O ATOM 0 H ASP A 51 0.523 11.138 -5.126 1.00 0.00 H new ATOM 0 HA ASP A 51 0.849 13.792 -6.243 1.00 0.00 H new ATOM 0 HB2 ASP A 51 1.707 12.424 -3.675 1.00 0.00 H new ATOM 0 HB3 ASP A 51 2.189 14.062 -4.071 1.00 0.00 H new ATOM 772 N LYS A 52 3.117 11.589 -6.612 1.00 0.00 N ATOM 773 CA LYS A 52 4.442 11.304 -7.150 1.00 0.00 C ATOM 774 C LYS A 52 5.535 11.816 -6.220 1.00 0.00 C ATOM 775 O LYS A 52 6.507 12.424 -6.667 1.00 0.00 O ATOM 776 CB LYS A 52 4.601 11.922 -8.540 1.00 0.00 C ATOM 777 CG LYS A 52 3.566 11.459 -9.556 1.00 0.00 C ATOM 778 CD LYS A 52 3.727 9.980 -9.875 1.00 0.00 C ATOM 779 CE LYS A 52 2.685 9.513 -10.883 1.00 0.00 C ATOM 780 NZ LYS A 52 2.749 8.044 -11.109 1.00 0.00 N ATOM 0 H LYS A 52 2.516 10.770 -6.516 1.00 0.00 H new ATOM 0 HA LYS A 52 4.543 10.222 -7.232 1.00 0.00 H new ATOM 0 HB2 LYS A 52 4.545 13.007 -8.451 1.00 0.00 H new ATOM 0 HB3 LYS A 52 5.595 11.685 -8.918 1.00 0.00 H new ATOM 0 HG2 LYS A 52 2.564 11.642 -9.167 1.00 0.00 H new ATOM 0 HG3 LYS A 52 3.665 12.043 -10.471 1.00 0.00 H new ATOM 0 HD2 LYS A 52 4.726 9.798 -10.271 1.00 0.00 H new ATOM 0 HD3 LYS A 52 3.636 9.397 -8.959 1.00 0.00 H new ATOM 0 HE2 LYS A 52 1.690 9.782 -10.528 1.00 0.00 H new ATOM 0 HE3 LYS A 52 2.837 10.033 -11.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 2.120 7.786 -11.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 3.725 7.771 -11.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 2.446 7.547 -10.247 1.00 0.00 H new ATOM 794 N ASN A 53 5.368 11.567 -4.927 1.00 0.00 N ATOM 795 CA ASN A 53 6.318 12.042 -3.927 1.00 0.00 C ATOM 796 C ASN A 53 7.231 10.917 -3.456 1.00 0.00 C ATOM 797 O ASN A 53 8.148 11.138 -2.666 1.00 0.00 O ATOM 798 CB ASN A 53 5.608 12.672 -2.743 1.00 0.00 C ATOM 799 CG ASN A 53 4.967 13.995 -3.056 1.00 0.00 C ATOM 800 OD1 ASN A 53 5.407 14.725 -3.951 1.00 0.00 O ATOM 801 ND2 ASN A 53 3.979 14.344 -2.270 1.00 0.00 N ATOM 0 H ASN A 53 4.583 11.039 -4.545 1.00 0.00 H new ATOM 0 HA ASN A 53 6.931 12.807 -4.403 1.00 0.00 H new ATOM 0 HB2 ASN A 53 4.843 11.984 -2.382 1.00 0.00 H new ATOM 0 HB3 ASN A 53 6.324 12.808 -1.932 1.00 0.00 H new ATOM 0 HD21 ASN A 53 3.536 15.256 -2.382 1.00 0.00 H new ATOM 0 HD22 ASN A 53 3.653 13.704 -1.546 1.00 0.00 H new ATOM 808 N GLY A 54 6.974 9.709 -3.946 1.00 0.00 N ATOM 809 CA GLY A 54 7.744 8.538 -3.542 1.00 0.00 C ATOM 810 C GLY A 54 7.136 7.876 -2.313 1.00 0.00 C ATOM 811 O GLY A 54 7.672 6.898 -1.793 1.00 0.00 O ATOM 0 H GLY A 54 6.237 9.515 -4.624 1.00 0.00 H new ATOM 0 HA2 GLY A 54 7.780 7.822 -4.363 1.00 0.00 H new ATOM 0 HA3 GLY A 54 8.772 8.831 -3.329 1.00 0.00 H new ATOM 815 N ARG A 55 6.013 8.417 -1.850 1.00 0.00 N ATOM 816 CA ARG A 55 5.353 7.907 -0.654 1.00 0.00 C ATOM 817 C ARG A 55 3.846 7.816 -0.852 1.00 0.00 C ATOM 818 O ARG A 55 3.269 8.563 -1.642 1.00 0.00 O ATOM 819 CB ARG A 55 5.706 8.718 0.585 1.00 0.00 C ATOM 820 CG ARG A 55 7.179 8.710 0.958 1.00 0.00 C ATOM 821 CD ARG A 55 7.683 7.395 1.434 1.00 0.00 C ATOM 822 NE ARG A 55 9.053 7.416 1.921 1.00 0.00 N ATOM 823 CZ ARG A 55 10.143 7.243 1.147 1.00 0.00 C ATOM 824 NH1 ARG A 55 10.028 7.000 -0.140 1.00 0.00 N ATOM 825 NH2 ARG A 55 11.332 7.301 1.721 1.00 0.00 N ATOM 0 H ARG A 55 5.541 9.209 -2.286 1.00 0.00 H new ATOM 0 HA ARG A 55 5.728 6.897 -0.487 1.00 0.00 H new ATOM 0 HB2 ARG A 55 5.392 9.750 0.427 1.00 0.00 H new ATOM 0 HB3 ARG A 55 5.131 8.335 1.428 1.00 0.00 H new ATOM 0 HG2 ARG A 55 7.763 9.017 0.090 1.00 0.00 H new ATOM 0 HG3 ARG A 55 7.349 9.454 1.736 1.00 0.00 H new ATOM 0 HD2 ARG A 55 7.032 7.038 2.232 1.00 0.00 H new ATOM 0 HD3 ARG A 55 7.611 6.676 0.618 1.00 0.00 H new ATOM 0 HE ARG A 55 9.199 7.573 2.918 1.00 0.00 H new ATOM 0 HH11 ARG A 55 9.104 6.940 -0.567 1.00 0.00 H new ATOM 0 HH12 ARG A 55 10.863 6.872 -0.711 1.00 0.00 H new ATOM 0 HH21 ARG A 55 11.406 7.473 2.724 1.00 0.00 H new ATOM 0 HH22 ARG A 55 12.175 7.174 1.161 1.00 0.00 H new ATOM 839 N ILE A 56 3.214 6.898 -0.130 1.00 0.00 N ATOM 840 CA ILE A 56 1.781 6.666 -0.270 1.00 0.00 C ATOM 841 C ILE A 56 1.015 7.203 0.931 1.00 0.00 C ATOM 842 O ILE A 56 1.204 6.743 2.057 1.00 0.00 O ATOM 843 CB ILE A 56 1.465 5.168 -0.440 1.00 0.00 C ATOM 844 CG1 ILE A 56 2.250 4.588 -1.620 1.00 0.00 C ATOM 845 CG2 ILE A 56 -0.028 4.958 -0.634 1.00 0.00 C ATOM 846 CD1 ILE A 56 1.933 5.242 -2.945 1.00 0.00 C ATOM 0 H ILE A 56 3.672 6.301 0.559 1.00 0.00 H new ATOM 0 HA ILE A 56 1.464 7.199 -1.166 1.00 0.00 H new ATOM 0 HB ILE A 56 1.769 4.644 0.466 1.00 0.00 H new ATOM 0 HG12 ILE A 56 3.317 4.691 -1.421 1.00 0.00 H new ATOM 0 HG13 ILE A 56 2.041 3.521 -1.693 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -0.233 3.894 -0.753 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -0.565 5.336 0.236 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -0.358 5.493 -1.525 1.00 0.00 H new ATOM 0 HD11 ILE A 56 2.528 4.778 -3.732 1.00 0.00 H new ATOM 0 HD12 ILE A 56 0.874 5.116 -3.169 1.00 0.00 H new ATOM 0 HD13 ILE A 56 2.169 6.305 -2.892 1.00 0.00 H new ATOM 858 N ASP A 57 0.150 8.181 0.685 1.00 0.00 N ATOM 859 CA ASP A 57 -0.720 8.715 1.727 1.00 0.00 C ATOM 860 C ASP A 57 -1.881 7.772 2.013 1.00 0.00 C ATOM 861 O ASP A 57 -2.051 6.758 1.335 1.00 0.00 O ATOM 862 CB ASP A 57 -1.249 10.095 1.329 1.00 0.00 C ATOM 863 CG ASP A 57 -1.584 11.004 2.504 1.00 0.00 C ATOM 864 OD1 ASP A 57 -1.522 10.545 3.620 1.00 0.00 O ATOM 865 OD2 ASP A 57 -1.743 12.182 2.291 1.00 0.00 O ATOM 0 H ASP A 57 0.032 8.621 -0.228 1.00 0.00 H new ATOM 0 HA ASP A 57 -0.128 8.812 2.637 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -0.505 10.589 0.704 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -2.143 9.966 0.719 1.00 0.00 H new ATOM 870 N PHE A 58 -2.679 8.111 3.020 1.00 0.00 N ATOM 871 CA PHE A 58 -3.850 7.317 3.371 1.00 0.00 C ATOM 872 C PHE A 58 -4.874 7.317 2.243 1.00 0.00 C ATOM 873 O PHE A 58 -5.400 6.268 1.868 1.00 0.00 O ATOM 874 CB PHE A 58 -4.486 7.843 4.659 1.00 0.00 C ATOM 875 CG PHE A 58 -5.653 7.026 5.135 1.00 0.00 C ATOM 876 CD1 PHE A 58 -5.784 5.695 4.766 1.00 0.00 C ATOM 877 CD2 PHE A 58 -6.622 7.586 5.954 1.00 0.00 C ATOM 878 CE1 PHE A 58 -6.858 4.943 5.204 1.00 0.00 C ATOM 879 CE2 PHE A 58 -7.695 6.836 6.394 1.00 0.00 C ATOM 880 CZ PHE A 58 -7.813 5.513 6.018 1.00 0.00 C ATOM 0 H PHE A 58 -2.535 8.932 3.608 1.00 0.00 H new ATOM 0 HA PHE A 58 -3.521 6.290 3.532 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -3.729 7.870 5.443 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -4.814 8.870 4.498 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -5.039 5.241 4.130 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -6.537 8.621 6.251 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -6.949 3.908 4.908 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -8.442 7.285 7.032 1.00 0.00 H new ATOM 0 HZ PHE A 58 -8.652 4.926 6.361 1.00 0.00 H new ATOM 890 N ASP A 59 -5.153 8.499 1.704 1.00 0.00 N ATOM 891 CA ASP A 59 -6.058 8.629 0.568 1.00 0.00 C ATOM 892 C ASP A 59 -5.544 7.852 -0.637 1.00 0.00 C ATOM 893 O ASP A 59 -6.324 7.271 -1.392 1.00 0.00 O ATOM 894 CB ASP A 59 -6.250 10.101 0.201 1.00 0.00 C ATOM 895 CG ASP A 59 -7.107 10.889 1.184 1.00 0.00 C ATOM 896 OD1 ASP A 59 -7.739 10.277 2.013 1.00 0.00 O ATOM 897 OD2 ASP A 59 -7.001 12.092 1.202 1.00 0.00 O ATOM 0 H ASP A 59 -4.765 9.382 2.036 1.00 0.00 H new ATOM 0 HA ASP A 59 -7.021 8.209 0.859 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -5.271 10.576 0.130 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -6.706 10.160 -0.787 1.00 0.00 H new ATOM 902 N GLU A 60 -4.228 7.844 -0.812 1.00 0.00 N ATOM 903 CA GLU A 60 -3.599 7.055 -1.864 1.00 0.00 C ATOM 904 C GLU A 60 -3.582 5.574 -1.507 1.00 0.00 C ATOM 905 O GLU A 60 -3.623 4.713 -2.386 1.00 0.00 O ATOM 906 CB GLU A 60 -2.174 7.548 -2.126 1.00 0.00 C ATOM 907 CG GLU A 60 -2.095 8.906 -2.808 1.00 0.00 C ATOM 908 CD GLU A 60 -0.684 9.427 -2.826 1.00 0.00 C ATOM 909 OE1 GLU A 60 0.137 8.889 -2.123 1.00 0.00 O ATOM 910 OE2 GLU A 60 -0.400 10.288 -3.625 1.00 0.00 O ATOM 0 H GLU A 60 -3.575 8.376 -0.238 1.00 0.00 H new ATOM 0 HA GLU A 60 -4.190 7.181 -2.771 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -1.640 7.600 -1.177 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -1.656 6.814 -2.743 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -2.468 8.825 -3.829 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -2.740 9.614 -2.288 1.00 0.00 H new ATOM 917 N PHE A 61 -3.523 5.283 -0.212 1.00 0.00 N ATOM 918 CA PHE A 61 -3.568 3.907 0.268 1.00 0.00 C ATOM 919 C PHE A 61 -4.878 3.231 -0.117 1.00 0.00 C ATOM 920 O PHE A 61 -4.910 2.034 -0.398 1.00 0.00 O ATOM 921 CB PHE A 61 -3.378 3.864 1.784 1.00 0.00 C ATOM 922 CG PHE A 61 -3.410 2.476 2.359 1.00 0.00 C ATOM 923 CD1 PHE A 61 -2.293 1.657 2.292 1.00 0.00 C ATOM 924 CD2 PHE A 61 -4.556 1.987 2.968 1.00 0.00 C ATOM 925 CE1 PHE A 61 -2.320 0.380 2.821 1.00 0.00 C ATOM 926 CE2 PHE A 61 -4.586 0.712 3.498 1.00 0.00 C ATOM 927 CZ PHE A 61 -3.467 -0.092 3.424 1.00 0.00 C ATOM 0 H PHE A 61 -3.444 5.983 0.525 1.00 0.00 H new ATOM 0 HA PHE A 61 -2.753 3.361 -0.206 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -2.425 4.329 2.035 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -4.158 4.461 2.256 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -1.392 2.021 1.821 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -5.436 2.611 3.029 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -1.443 -0.248 2.762 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -5.485 0.344 3.970 1.00 0.00 H new ATOM 0 HZ PHE A 61 -3.489 -1.089 3.838 1.00 0.00 H new ATOM 937 N LEU A 62 -5.957 4.008 -0.128 1.00 0.00 N ATOM 938 CA LEU A 62 -7.258 3.505 -0.552 1.00 0.00 C ATOM 939 C LEU A 62 -7.191 2.922 -1.958 1.00 0.00 C ATOM 940 O LEU A 62 -7.888 1.957 -2.274 1.00 0.00 O ATOM 941 CB LEU A 62 -8.305 4.623 -0.486 1.00 0.00 C ATOM 942 CG LEU A 62 -9.105 4.693 0.821 1.00 0.00 C ATOM 943 CD1 LEU A 62 -8.207 4.344 2.001 1.00 0.00 C ATOM 944 CD2 LEU A 62 -9.690 6.087 0.985 1.00 0.00 C ATOM 0 H LEU A 62 -5.955 4.989 0.152 1.00 0.00 H new ATOM 0 HA LEU A 62 -7.551 2.706 0.129 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -7.803 5.578 -0.637 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -9.003 4.495 -1.314 1.00 0.00 H new ATOM 0 HG LEU A 62 -9.921 3.971 0.787 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -8.783 4.396 2.925 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -7.815 3.335 1.874 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -7.379 5.051 2.050 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -10.258 6.136 1.914 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -8.883 6.819 1.014 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -10.349 6.306 0.145 1.00 0.00 H new ATOM 956 N LYS A 63 -6.349 3.513 -2.799 1.00 0.00 N ATOM 957 CA LYS A 63 -6.142 3.014 -4.153 1.00 0.00 C ATOM 958 C LYS A 63 -5.219 1.804 -4.160 1.00 0.00 C ATOM 959 O LYS A 63 -5.412 0.867 -4.933 1.00 0.00 O ATOM 960 CB LYS A 63 -5.574 4.116 -5.048 1.00 0.00 C ATOM 961 CG LYS A 63 -5.414 3.720 -6.510 1.00 0.00 C ATOM 962 CD LYS A 63 -4.991 4.906 -7.362 1.00 0.00 C ATOM 963 CE LYS A 63 -4.832 4.512 -8.823 1.00 0.00 C ATOM 964 NZ LYS A 63 -4.286 5.626 -9.645 1.00 0.00 N ATOM 0 H LYS A 63 -5.798 4.339 -2.566 1.00 0.00 H new ATOM 0 HA LYS A 63 -7.110 2.704 -4.546 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -6.227 4.987 -4.990 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -4.602 4.419 -4.658 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -4.672 2.926 -6.595 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.355 3.318 -6.885 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -5.733 5.700 -7.277 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -4.049 5.308 -6.987 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -4.170 3.649 -8.896 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -5.799 4.206 -9.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -4.273 5.345 -10.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -4.885 6.468 -9.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -3.318 5.845 -9.334 1.00 0.00 H new ATOM 978 N MET A 64 -4.212 1.830 -3.292 1.00 0.00 N ATOM 979 CA MET A 64 -3.327 0.686 -3.112 1.00 0.00 C ATOM 980 C MET A 64 -4.118 -0.582 -2.821 1.00 0.00 C ATOM 981 O MET A 64 -3.854 -1.637 -3.399 1.00 0.00 O ATOM 982 CB MET A 64 -2.333 0.960 -1.984 1.00 0.00 C ATOM 983 CG MET A 64 -1.420 -0.212 -1.651 1.00 0.00 C ATOM 984 SD MET A 64 -0.321 0.137 -0.265 1.00 0.00 S ATOM 985 CE MET A 64 0.861 1.236 -1.039 1.00 0.00 C ATOM 0 H MET A 64 -3.989 2.632 -2.702 1.00 0.00 H new ATOM 0 HA MET A 64 -2.778 0.534 -4.041 1.00 0.00 H new ATOM 0 HB2 MET A 64 -1.718 1.817 -2.258 1.00 0.00 H new ATOM 0 HB3 MET A 64 -2.887 1.239 -1.088 1.00 0.00 H new ATOM 0 HG2 MET A 64 -2.028 -1.086 -1.417 1.00 0.00 H new ATOM 0 HG3 MET A 64 -0.824 -0.464 -2.528 1.00 0.00 H new ATOM 0 HE1 MET A 64 1.826 0.735 -1.118 1.00 0.00 H new ATOM 0 HE2 MET A 64 0.509 1.506 -2.035 1.00 0.00 H new ATOM 0 HE3 MET A 64 0.969 2.138 -0.436 1.00 0.00 H new ATOM 995 N MET A 65 -5.090 -0.473 -1.921 1.00 0.00 N ATOM 996 CA MET A 65 -5.886 -1.624 -1.511 1.00 0.00 C ATOM 997 C MET A 65 -6.933 -1.974 -2.562 1.00 0.00 C ATOM 998 O MET A 65 -7.411 -3.106 -2.622 1.00 0.00 O ATOM 999 CB MET A 65 -6.558 -1.348 -0.168 1.00 0.00 C ATOM 1000 CG MET A 65 -5.594 -1.206 1.001 1.00 0.00 C ATOM 1001 SD MET A 65 -4.532 -2.649 1.207 1.00 0.00 S ATOM 1002 CE MET A 65 -5.724 -3.874 1.738 1.00 0.00 C ATOM 0 H MET A 65 -5.345 0.401 -1.462 1.00 0.00 H new ATOM 0 HA MET A 65 -5.216 -2.477 -1.406 1.00 0.00 H new ATOM 0 HB2 MET A 65 -7.146 -0.434 -0.251 1.00 0.00 H new ATOM 0 HB3 MET A 65 -7.255 -2.157 0.048 1.00 0.00 H new ATOM 0 HG2 MET A 65 -4.974 -0.322 0.850 1.00 0.00 H new ATOM 0 HG3 MET A 65 -6.162 -1.044 1.917 1.00 0.00 H new ATOM 0 HE1 MET A 65 -5.200 -4.762 2.093 1.00 0.00 H new ATOM 0 HE2 MET A 65 -6.332 -3.465 2.545 1.00 0.00 H new ATOM 0 HE3 MET A 65 -6.367 -4.143 0.900 1.00 0.00 H new ATOM 1012 N GLU A 66 -7.283 -0.994 -3.388 1.00 0.00 N ATOM 1013 CA GLU A 66 -8.150 -1.234 -4.536 1.00 0.00 C ATOM 1014 C GLU A 66 -7.478 -2.150 -5.550 1.00 0.00 C ATOM 1015 O GLU A 66 -8.119 -3.028 -6.128 1.00 0.00 O ATOM 1016 CB GLU A 66 -8.539 0.089 -5.199 1.00 0.00 C ATOM 1017 CG GLU A 66 -9.510 -0.052 -6.362 1.00 0.00 C ATOM 1018 CD GLU A 66 -9.892 1.290 -6.922 1.00 0.00 C ATOM 1019 OE1 GLU A 66 -9.426 2.280 -6.411 1.00 0.00 O ATOM 1020 OE2 GLU A 66 -10.557 1.323 -7.930 1.00 0.00 O ATOM 0 H GLU A 66 -6.980 -0.026 -3.284 1.00 0.00 H new ATOM 0 HA GLU A 66 -9.052 -1.728 -4.176 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -8.984 0.741 -4.447 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -7.635 0.583 -5.554 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -9.056 -0.659 -7.145 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -10.405 -0.578 -6.029 1.00 0.00 H new