USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 610 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 MET CE :methyl 155:sc= -3.2! (180deg=-5.29!) USER MOD Set 1.2: A 50 GLN : amide:sc= 0 X(o=-3.2,f=-3.4) USER MOD Set 2.1: A 35 CYS SG : rot -145:sc= 0.887 USER MOD Set 2.2: A 71 THR OG1 : rot 144:sc= 1.14 USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc=-0.00164 X(o=-0.0016,f=-0.0016) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.00382 USER MOD Single : A 16 GLN : amide:sc= -0.461 X(o=-0.46,f=-0.17) USER MOD Single : A 17 LYS NZ :NH3+ 176:sc=-0.00178 (180deg=-0.0246) USER MOD Single : A 18 ASN : amide:sc= -0.208 X(o=-0.21,f=-0.0044) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -0.394 K(o=-0.39,f=-2.3) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 THR OG1 : rot -149:sc= 0.0109 USER MOD Single : A 58 GLN : amide:sc= -0.409 X(o=-0.41,f=-0.039) USER MOD Single : A 60 MET CE :methyl 166:sc= 0 (180deg=-0.331) USER MOD Single : A 69 SER OG : rot 180:sc= 0.02 USER MOD Single : A 80 MET CE :methyl 148:sc= -0.851 (180deg=-3.1!) USER MOD Single : A 81 MET CE :methyl 146:sc= -0.299 (180deg=-0.738) USER MOD Single : A 84 CYS SG : rot 74:sc= 0.404 USER MOD ----------------------------------------------------------------- ATOM 46 N ILE A 4 8.989 -3.455 -17.955 1.00 0.00 N ATOM 47 CA ILE A 4 7.952 -4.342 -17.418 1.00 0.00 C ATOM 48 C ILE A 4 6.587 -3.651 -17.440 1.00 0.00 C ATOM 49 O ILE A 4 5.555 -4.312 -17.493 1.00 0.00 O ATOM 50 CB ILE A 4 8.273 -4.777 -15.978 1.00 0.00 C ATOM 51 CG1 ILE A 4 8.205 -3.567 -15.036 1.00 0.00 C ATOM 52 CG2 ILE A 4 9.678 -5.385 -15.922 1.00 0.00 C ATOM 53 CD1 ILE A 4 6.766 -3.370 -14.553 1.00 0.00 C ATOM 0 HA ILE A 4 7.925 -5.227 -18.054 1.00 0.00 H new ATOM 0 HB ILE A 4 7.541 -5.520 -15.663 1.00 0.00 H new ATOM 0 HG12 ILE A 4 8.867 -3.720 -14.184 1.00 0.00 H new ATOM 0 HG13 ILE A 4 8.551 -2.672 -15.553 1.00 0.00 H new ATOM 0 HG21 ILE A 4 9.901 -5.692 -14.900 1.00 0.00 H new ATOM 0 HG22 ILE A 4 9.725 -6.253 -16.580 1.00 0.00 H new ATOM 0 HG23 ILE A 4 10.408 -4.644 -16.246 1.00 0.00 H new ATOM 0 HD11 ILE A 4 6.721 -2.510 -13.884 1.00 0.00 H new ATOM 0 HD12 ILE A 4 6.115 -3.198 -15.410 1.00 0.00 H new ATOM 0 HD13 ILE A 4 6.436 -4.262 -14.020 1.00 0.00 H new ATOM 65 N TYR A 5 6.595 -2.312 -17.395 1.00 0.00 N ATOM 66 CA TYR A 5 5.350 -1.539 -17.409 1.00 0.00 C ATOM 67 C TYR A 5 4.626 -1.720 -18.738 1.00 0.00 C ATOM 68 O TYR A 5 3.397 -1.739 -18.794 1.00 0.00 O ATOM 69 CB TYR A 5 5.635 -0.047 -17.202 1.00 0.00 C ATOM 70 CG TYR A 5 6.418 0.145 -15.925 1.00 0.00 C ATOM 71 CD1 TYR A 5 5.858 -0.230 -14.701 1.00 0.00 C ATOM 72 CD2 TYR A 5 7.704 0.695 -15.969 1.00 0.00 C ATOM 73 CE1 TYR A 5 6.584 -0.058 -13.517 1.00 0.00 C ATOM 74 CE2 TYR A 5 8.431 0.867 -14.787 1.00 0.00 C ATOM 75 CZ TYR A 5 7.870 0.492 -13.559 1.00 0.00 C ATOM 76 OH TYR A 5 8.587 0.662 -12.393 1.00 0.00 O ATOM 0 H TYR A 5 7.443 -1.747 -17.349 1.00 0.00 H new ATOM 0 HA TYR A 5 4.723 -1.905 -16.596 1.00 0.00 H new ATOM 0 HB2 TYR A 5 6.197 0.347 -18.048 1.00 0.00 H new ATOM 0 HB3 TYR A 5 4.699 0.509 -17.154 1.00 0.00 H new ATOM 0 HD1 TYR A 5 4.865 -0.653 -14.669 1.00 0.00 H new ATOM 0 HD2 TYR A 5 8.135 0.987 -16.915 1.00 0.00 H new ATOM 0 HE1 TYR A 5 6.152 -0.350 -12.571 1.00 0.00 H new ATOM 0 HE2 TYR A 5 9.425 1.289 -14.821 1.00 0.00 H new ATOM 0 HH TYR A 5 9.461 1.055 -12.600 1.00 0.00 H new ATOM 86 N LYS A 6 5.410 -1.860 -19.806 1.00 0.00 N ATOM 87 CA LYS A 6 4.845 -2.050 -21.147 1.00 0.00 C ATOM 88 C LYS A 6 4.414 -3.499 -21.329 1.00 0.00 C ATOM 89 O LYS A 6 3.376 -3.785 -21.928 1.00 0.00 O ATOM 90 CB LYS A 6 5.872 -1.691 -22.232 1.00 0.00 C ATOM 91 CG LYS A 6 6.571 -0.370 -21.879 1.00 0.00 C ATOM 92 CD LYS A 6 5.533 0.663 -21.428 1.00 0.00 C ATOM 93 CE LYS A 6 6.243 1.890 -20.851 1.00 0.00 C ATOM 94 NZ LYS A 6 5.327 3.067 -20.898 1.00 0.00 N ATOM 0 H LYS A 6 6.429 -1.846 -19.773 1.00 0.00 H new ATOM 0 HA LYS A 6 3.982 -1.391 -21.246 1.00 0.00 H new ATOM 0 HB2 LYS A 6 6.609 -2.488 -22.324 1.00 0.00 H new ATOM 0 HB3 LYS A 6 5.376 -1.602 -23.198 1.00 0.00 H new ATOM 0 HG2 LYS A 6 7.301 -0.535 -21.087 1.00 0.00 H new ATOM 0 HG3 LYS A 6 7.118 0.005 -22.744 1.00 0.00 H new ATOM 0 HD2 LYS A 6 4.907 0.956 -22.271 1.00 0.00 H new ATOM 0 HD3 LYS A 6 4.873 0.226 -20.678 1.00 0.00 H new ATOM 0 HE2 LYS A 6 6.549 1.696 -19.823 1.00 0.00 H new ATOM 0 HE3 LYS A 6 7.149 2.099 -21.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 5.811 3.900 -20.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 5.056 3.257 -21.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 4.474 2.866 -20.337 1.00 0.00 H new ATOM 108 N ALA A 7 5.222 -4.407 -20.789 1.00 0.00 N ATOM 109 CA ALA A 7 4.925 -5.839 -20.874 1.00 0.00 C ATOM 110 C ALA A 7 3.782 -6.221 -19.924 1.00 0.00 C ATOM 111 O ALA A 7 3.075 -7.204 -20.157 1.00 0.00 O ATOM 112 CB ALA A 7 6.165 -6.658 -20.512 1.00 0.00 C ATOM 0 H ALA A 7 6.083 -4.182 -20.290 1.00 0.00 H new ATOM 0 HA ALA A 7 4.624 -6.056 -21.899 1.00 0.00 H new ATOM 0 HB1 ALA A 7 5.931 -7.721 -20.579 1.00 0.00 H new ATOM 0 HB2 ALA A 7 6.973 -6.420 -21.204 1.00 0.00 H new ATOM 0 HB3 ALA A 7 6.475 -6.418 -19.495 1.00 0.00 H new ATOM 118 N ALA A 8 3.618 -5.443 -18.846 1.00 0.00 N ATOM 119 CA ALA A 8 2.571 -5.713 -17.861 1.00 0.00 C ATOM 120 C ALA A 8 1.246 -5.057 -18.255 1.00 0.00 C ATOM 121 O ALA A 8 0.181 -5.638 -18.048 1.00 0.00 O ATOM 122 CB ALA A 8 2.990 -5.197 -16.481 1.00 0.00 C ATOM 0 H ALA A 8 4.194 -4.628 -18.638 1.00 0.00 H new ATOM 0 HA ALA A 8 2.431 -6.793 -17.827 1.00 0.00 H new ATOM 0 HB1 ALA A 8 2.200 -5.406 -15.759 1.00 0.00 H new ATOM 0 HB2 ALA A 8 3.908 -5.696 -16.169 1.00 0.00 H new ATOM 0 HB3 ALA A 8 3.161 -4.122 -16.531 1.00 0.00 H new ATOM 128 N VAL A 9 1.317 -3.842 -18.817 1.00 0.00 N ATOM 129 CA VAL A 9 0.101 -3.124 -19.224 1.00 0.00 C ATOM 130 C VAL A 9 -0.739 -3.959 -20.202 1.00 0.00 C ATOM 131 O VAL A 9 -1.970 -3.887 -20.190 1.00 0.00 O ATOM 132 CB VAL A 9 0.457 -1.766 -19.860 1.00 0.00 C ATOM 133 CG1 VAL A 9 0.883 -1.951 -21.320 1.00 0.00 C ATOM 134 CG2 VAL A 9 -0.761 -0.839 -19.798 1.00 0.00 C ATOM 0 H VAL A 9 2.188 -3.343 -18.998 1.00 0.00 H new ATOM 0 HA VAL A 9 -0.493 -2.949 -18.327 1.00 0.00 H new ATOM 0 HB VAL A 9 1.286 -1.326 -19.306 1.00 0.00 H new ATOM 0 HG11 VAL A 9 1.130 -0.982 -21.752 1.00 0.00 H new ATOM 0 HG12 VAL A 9 1.756 -2.602 -21.365 1.00 0.00 H new ATOM 0 HG13 VAL A 9 0.066 -2.401 -21.883 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -0.510 0.122 -20.248 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -1.590 -1.290 -20.344 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -1.051 -0.688 -18.758 1.00 0.00 H new ATOM 144 N GLU A 10 -0.062 -4.755 -21.037 1.00 0.00 N ATOM 145 CA GLU A 10 -0.757 -5.605 -22.008 1.00 0.00 C ATOM 146 C GLU A 10 -1.386 -6.827 -21.325 1.00 0.00 C ATOM 147 O GLU A 10 -2.305 -7.445 -21.866 1.00 0.00 O ATOM 148 CB GLU A 10 0.214 -6.088 -23.090 1.00 0.00 C ATOM 149 CG GLU A 10 0.616 -4.911 -23.984 1.00 0.00 C ATOM 150 CD GLU A 10 1.794 -5.318 -24.865 1.00 0.00 C ATOM 151 OE1 GLU A 10 2.913 -5.281 -24.378 1.00 0.00 O ATOM 152 OE2 GLU A 10 1.560 -5.658 -26.014 1.00 0.00 O ATOM 0 H GLU A 10 0.955 -4.828 -21.060 1.00 0.00 H new ATOM 0 HA GLU A 10 -1.546 -5.004 -22.461 1.00 0.00 H new ATOM 0 HB2 GLU A 10 1.099 -6.526 -22.629 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -0.253 -6.870 -23.689 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -0.227 -4.607 -24.604 1.00 0.00 H new ATOM 0 HG3 GLU A 10 0.887 -4.051 -23.371 1.00 0.00 H new ATOM 159 N GLN A 11 -0.884 -7.169 -20.130 1.00 0.00 N ATOM 160 CA GLN A 11 -1.406 -8.318 -19.385 1.00 0.00 C ATOM 161 C GLN A 11 -2.614 -7.913 -18.540 1.00 0.00 C ATOM 162 O GLN A 11 -3.610 -8.636 -18.475 1.00 0.00 O ATOM 163 CB GLN A 11 -0.327 -8.901 -18.464 1.00 0.00 C ATOM 164 CG GLN A 11 0.909 -9.285 -19.285 1.00 0.00 C ATOM 165 CD GLN A 11 0.682 -10.635 -19.960 1.00 0.00 C ATOM 166 OE1 GLN A 11 0.874 -11.684 -19.345 1.00 0.00 O ATOM 167 NE2 GLN A 11 0.281 -10.672 -21.204 1.00 0.00 N ATOM 0 H GLN A 11 -0.125 -6.671 -19.664 1.00 0.00 H new ATOM 0 HA GLN A 11 -1.710 -9.072 -20.112 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -0.055 -8.172 -17.701 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -0.715 -9.777 -17.944 1.00 0.00 H new ATOM 0 HG2 GLN A 11 1.109 -8.521 -20.037 1.00 0.00 H new ATOM 0 HG3 GLN A 11 1.785 -9.334 -18.639 1.00 0.00 H new ATOM 0 HE21 GLN A 11 0.122 -9.803 -21.714 1.00 0.00 H new ATOM 0 HE22 GLN A 11 0.128 -11.569 -21.664 1.00 0.00 H new ATOM 176 N LEU A 12 -2.511 -6.750 -17.893 1.00 0.00 N ATOM 177 CA LEU A 12 -3.594 -6.246 -17.047 1.00 0.00 C ATOM 178 C LEU A 12 -4.764 -5.756 -17.899 1.00 0.00 C ATOM 179 O LEU A 12 -4.606 -5.448 -19.083 1.00 0.00 O ATOM 180 CB LEU A 12 -3.101 -5.090 -16.174 1.00 0.00 C ATOM 181 CG LEU A 12 -1.919 -5.422 -15.257 1.00 0.00 C ATOM 182 CD1 LEU A 12 -0.768 -4.454 -15.534 1.00 0.00 C ATOM 183 CD2 LEU A 12 -2.353 -5.293 -13.794 1.00 0.00 C ATOM 0 H LEU A 12 -1.693 -6.142 -17.938 1.00 0.00 H new ATOM 0 HA LEU A 12 -3.927 -7.068 -16.413 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -2.815 -4.262 -16.823 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.930 -4.741 -15.559 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.589 -6.443 -15.449 1.00 0.00 H new ATOM 0 HD11 LEU A 12 0.072 -4.691 -14.881 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -0.457 -4.547 -16.574 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.098 -3.433 -15.344 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.512 -5.529 -13.143 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.685 -4.273 -13.602 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -3.171 -5.985 -13.595 1.00 0.00 H new ATOM 195 N THR A 13 -5.940 -5.688 -17.274 1.00 0.00 N ATOM 196 CA THR A 13 -7.149 -5.234 -17.968 1.00 0.00 C ATOM 197 C THR A 13 -7.652 -3.920 -17.374 1.00 0.00 C ATOM 198 O THR A 13 -7.218 -3.497 -16.299 1.00 0.00 O ATOM 199 CB THR A 13 -8.271 -6.279 -17.856 1.00 0.00 C ATOM 200 OG1 THR A 13 -8.107 -7.044 -16.668 1.00 0.00 O ATOM 201 CG2 THR A 13 -8.232 -7.205 -19.072 1.00 0.00 C ATOM 0 H THR A 13 -6.083 -5.939 -16.296 1.00 0.00 H new ATOM 0 HA THR A 13 -6.886 -5.089 -19.016 1.00 0.00 H new ATOM 0 HB THR A 13 -9.233 -5.767 -17.820 1.00 0.00 H new ATOM 0 HG1 THR A 13 -8.827 -7.706 -16.603 1.00 0.00 H new ATOM 0 HG21 THR A 13 -9.028 -7.945 -18.991 1.00 0.00 H new ATOM 0 HG22 THR A 13 -8.372 -6.619 -19.980 1.00 0.00 H new ATOM 0 HG23 THR A 13 -7.268 -7.712 -19.113 1.00 0.00 H new ATOM 209 N ASP A 14 -8.592 -3.291 -18.085 1.00 0.00 N ATOM 210 CA ASP A 14 -9.180 -2.030 -17.625 1.00 0.00 C ATOM 211 C ASP A 14 -9.915 -2.238 -16.298 1.00 0.00 C ATOM 212 O ASP A 14 -9.990 -1.328 -15.473 1.00 0.00 O ATOM 213 CB ASP A 14 -10.173 -1.493 -18.660 1.00 0.00 C ATOM 214 CG ASP A 14 -10.483 -0.028 -18.364 1.00 0.00 C ATOM 215 OD1 ASP A 14 -9.723 0.819 -18.804 1.00 0.00 O ATOM 216 OD2 ASP A 14 -11.475 0.225 -17.700 1.00 0.00 O ATOM 0 H ASP A 14 -8.960 -3.631 -18.974 1.00 0.00 H new ATOM 0 HA ASP A 14 -8.371 -1.312 -17.488 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -9.757 -1.591 -19.663 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -11.091 -2.081 -18.637 1.00 0.00 H new ATOM 221 N GLU A 15 -10.451 -3.451 -16.109 1.00 0.00 N ATOM 222 CA GLU A 15 -11.180 -3.786 -14.882 1.00 0.00 C ATOM 223 C GLU A 15 -10.290 -3.595 -13.652 1.00 0.00 C ATOM 224 O GLU A 15 -10.714 -3.010 -12.654 1.00 0.00 O ATOM 225 CB GLU A 15 -11.662 -5.241 -14.927 1.00 0.00 C ATOM 226 CG GLU A 15 -12.872 -5.360 -15.861 1.00 0.00 C ATOM 227 CD GLU A 15 -12.397 -5.592 -17.295 1.00 0.00 C ATOM 228 OE1 GLU A 15 -11.999 -6.706 -17.595 1.00 0.00 O ATOM 229 OE2 GLU A 15 -12.436 -4.651 -18.071 1.00 0.00 O ATOM 0 H GLU A 15 -10.393 -4.211 -16.786 1.00 0.00 H new ATOM 0 HA GLU A 15 -12.038 -3.118 -14.812 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -10.858 -5.889 -15.275 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -11.930 -5.576 -13.925 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -13.510 -6.184 -15.542 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -13.474 -4.452 -15.810 1.00 0.00 H new ATOM 236 N GLN A 16 -9.048 -4.088 -13.740 1.00 0.00 N ATOM 237 CA GLN A 16 -8.097 -3.963 -12.630 1.00 0.00 C ATOM 238 C GLN A 16 -7.806 -2.491 -12.332 1.00 0.00 C ATOM 239 O GLN A 16 -7.792 -2.074 -11.172 1.00 0.00 O ATOM 240 CB GLN A 16 -6.781 -4.676 -12.961 1.00 0.00 C ATOM 241 CG GLN A 16 -6.908 -6.168 -12.644 1.00 0.00 C ATOM 242 CD GLN A 16 -5.519 -6.773 -12.457 1.00 0.00 C ATOM 243 OE1 GLN A 16 -4.818 -6.448 -11.499 1.00 0.00 O ATOM 244 NE2 GLN A 16 -5.073 -7.643 -13.321 1.00 0.00 N ATOM 0 H GLN A 16 -8.682 -4.572 -14.560 1.00 0.00 H new ATOM 0 HA GLN A 16 -8.548 -4.427 -11.753 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -6.536 -4.538 -14.014 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -5.965 -4.240 -12.384 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -7.501 -6.309 -11.741 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -7.432 -6.678 -13.452 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -5.651 -7.915 -14.116 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -4.146 -8.052 -13.201 1.00 0.00 H new ATOM 253 N LYS A 17 -7.581 -1.710 -13.394 1.00 0.00 N ATOM 254 CA LYS A 17 -7.300 -0.279 -13.241 1.00 0.00 C ATOM 255 C LYS A 17 -8.529 0.461 -12.704 1.00 0.00 C ATOM 256 O LYS A 17 -8.402 1.421 -11.944 1.00 0.00 O ATOM 257 CB LYS A 17 -6.886 0.336 -14.582 1.00 0.00 C ATOM 258 CG LYS A 17 -5.364 0.263 -14.731 1.00 0.00 C ATOM 259 CD LYS A 17 -4.975 -1.045 -15.427 1.00 0.00 C ATOM 260 CE LYS A 17 -3.603 -0.888 -16.090 1.00 0.00 C ATOM 261 NZ LYS A 17 -2.526 -1.140 -15.088 1.00 0.00 N ATOM 0 H LYS A 17 -7.588 -2.040 -14.359 1.00 0.00 H new ATOM 0 HA LYS A 17 -6.481 -0.176 -12.529 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -7.368 -0.196 -15.402 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -7.218 1.373 -14.636 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -5.004 1.114 -15.309 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -4.890 0.320 -13.751 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -4.949 -1.860 -14.703 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -5.723 -1.307 -16.175 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -3.509 -1.586 -16.922 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -3.501 0.116 -16.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -1.599 -1.099 -15.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -2.569 -0.416 -14.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -2.659 -2.081 -14.665 1.00 0.00 H new ATOM 275 N ASN A 18 -9.721 -0.009 -13.096 1.00 0.00 N ATOM 276 CA ASN A 18 -10.971 0.600 -12.638 1.00 0.00 C ATOM 277 C ASN A 18 -11.108 0.413 -11.125 1.00 0.00 C ATOM 278 O ASN A 18 -11.433 1.353 -10.398 1.00 0.00 O ATOM 279 CB ASN A 18 -12.170 -0.025 -13.385 1.00 0.00 C ATOM 280 CG ASN A 18 -13.309 -0.369 -12.424 1.00 0.00 C ATOM 281 OD1 ASN A 18 -14.084 0.502 -12.029 1.00 0.00 O ATOM 282 ND2 ASN A 18 -13.454 -1.601 -12.022 1.00 0.00 N ATOM 0 H ASN A 18 -9.843 -0.803 -13.724 1.00 0.00 H new ATOM 0 HA ASN A 18 -10.958 1.668 -12.856 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -12.530 0.670 -14.144 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -11.846 -0.926 -13.906 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -14.209 -1.843 -11.381 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -12.812 -2.323 -12.349 1.00 0.00 H new ATOM 289 N GLU A 19 -10.833 -0.813 -10.663 1.00 0.00 N ATOM 290 CA GLU A 19 -10.901 -1.121 -9.232 1.00 0.00 C ATOM 291 C GLU A 19 -9.876 -0.278 -8.483 1.00 0.00 C ATOM 292 O GLU A 19 -10.168 0.297 -7.436 1.00 0.00 O ATOM 293 CB GLU A 19 -10.600 -2.602 -8.970 1.00 0.00 C ATOM 294 CG GLU A 19 -11.647 -3.474 -9.666 1.00 0.00 C ATOM 295 CD GLU A 19 -12.928 -3.499 -8.837 1.00 0.00 C ATOM 296 OE1 GLU A 19 -13.025 -4.341 -7.955 1.00 0.00 O ATOM 297 OE2 GLU A 19 -13.796 -2.677 -9.095 1.00 0.00 O ATOM 0 H GLU A 19 -10.564 -1.600 -11.254 1.00 0.00 H new ATOM 0 HA GLU A 19 -11.910 -0.898 -8.886 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -9.604 -2.851 -9.337 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -10.603 -2.799 -7.898 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -11.855 -3.084 -10.663 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -11.265 -4.487 -9.793 1.00 0.00 H new ATOM 304 N PHE A 20 -8.670 -0.212 -9.053 1.00 0.00 N ATOM 305 CA PHE A 20 -7.576 0.566 -8.465 1.00 0.00 C ATOM 306 C PHE A 20 -7.981 2.032 -8.295 1.00 0.00 C ATOM 307 O PHE A 20 -7.676 2.652 -7.276 1.00 0.00 O ATOM 308 CB PHE A 20 -6.333 0.497 -9.362 1.00 0.00 C ATOM 309 CG PHE A 20 -5.524 -0.745 -9.049 1.00 0.00 C ATOM 310 CD1 PHE A 20 -6.128 -1.861 -8.451 1.00 0.00 C ATOM 311 CD2 PHE A 20 -4.161 -0.776 -9.361 1.00 0.00 C ATOM 312 CE1 PHE A 20 -5.370 -3.000 -8.167 1.00 0.00 C ATOM 313 CE2 PHE A 20 -3.403 -1.914 -9.077 1.00 0.00 C ATOM 314 CZ PHE A 20 -4.006 -3.027 -8.478 1.00 0.00 C ATOM 0 H PHE A 20 -8.426 -0.688 -9.921 1.00 0.00 H new ATOM 0 HA PHE A 20 -7.351 0.139 -7.488 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -6.633 0.489 -10.410 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -5.719 1.386 -9.213 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -7.180 -1.840 -8.210 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -3.694 0.082 -9.822 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -5.837 -3.859 -7.708 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -2.351 -1.936 -9.320 1.00 0.00 H new ATOM 0 HZ PHE A 20 -3.419 -3.906 -8.256 1.00 0.00 H new ATOM 324 N LYS A 21 -8.673 2.574 -9.304 1.00 0.00 N ATOM 325 CA LYS A 21 -9.120 3.968 -9.261 1.00 0.00 C ATOM 326 C LYS A 21 -10.095 4.190 -8.103 1.00 0.00 C ATOM 327 O LYS A 21 -9.957 5.147 -7.340 1.00 0.00 O ATOM 328 CB LYS A 21 -9.804 4.355 -10.581 1.00 0.00 C ATOM 329 CG LYS A 21 -10.105 5.860 -10.595 1.00 0.00 C ATOM 330 CD LYS A 21 -8.811 6.651 -10.370 1.00 0.00 C ATOM 331 CE LYS A 21 -9.017 8.107 -10.801 1.00 0.00 C ATOM 332 NZ LYS A 21 -8.816 8.229 -12.275 1.00 0.00 N ATOM 0 H LYS A 21 -8.933 2.072 -10.153 1.00 0.00 H new ATOM 0 HA LYS A 21 -8.241 4.595 -9.112 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -9.161 4.097 -11.423 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -10.728 3.790 -10.700 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -10.553 6.142 -11.548 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -10.830 6.102 -9.818 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -8.525 6.609 -9.319 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -7.996 6.204 -10.940 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -10.021 8.437 -10.533 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -8.317 8.755 -10.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -8.957 9.218 -12.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -7.850 7.931 -12.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -9.501 7.623 -12.770 1.00 0.00 H new ATOM 346 N ALA A 22 -11.076 3.290 -7.975 1.00 0.00 N ATOM 347 CA ALA A 22 -12.065 3.392 -6.898 1.00 0.00 C ATOM 348 C ALA A 22 -11.398 3.170 -5.539 1.00 0.00 C ATOM 349 O ALA A 22 -11.662 3.896 -4.581 1.00 0.00 O ATOM 350 CB ALA A 22 -13.179 2.360 -7.086 1.00 0.00 C ATOM 0 H ALA A 22 -11.206 2.492 -8.596 1.00 0.00 H new ATOM 0 HA ALA A 22 -12.496 4.393 -6.932 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -13.902 2.453 -6.276 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -13.678 2.533 -8.039 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -12.751 1.357 -7.077 1.00 0.00 H new ATOM 356 N ALA A 23 -10.519 2.162 -5.476 1.00 0.00 N ATOM 357 CA ALA A 23 -9.797 1.846 -4.239 1.00 0.00 C ATOM 358 C ALA A 23 -8.882 3.004 -3.829 1.00 0.00 C ATOM 359 O ALA A 23 -8.548 3.157 -2.653 1.00 0.00 O ATOM 360 CB ALA A 23 -8.949 0.584 -4.420 1.00 0.00 C ATOM 0 H ALA A 23 -10.292 1.555 -6.263 1.00 0.00 H new ATOM 0 HA ALA A 23 -10.539 1.680 -3.458 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -8.420 0.365 -3.492 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -9.596 -0.255 -4.676 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -8.226 0.743 -5.220 1.00 0.00 H new ATOM 366 N PHE A 24 -8.488 3.824 -4.810 1.00 0.00 N ATOM 367 CA PHE A 24 -7.625 4.970 -4.539 1.00 0.00 C ATOM 368 C PHE A 24 -8.467 6.155 -4.061 1.00 0.00 C ATOM 369 O PHE A 24 -8.208 6.725 -3.002 1.00 0.00 O ATOM 370 CB PHE A 24 -6.859 5.373 -5.810 1.00 0.00 C ATOM 371 CG PHE A 24 -5.623 6.165 -5.445 1.00 0.00 C ATOM 372 CD1 PHE A 24 -4.455 5.500 -5.050 1.00 0.00 C ATOM 373 CD2 PHE A 24 -5.644 7.564 -5.504 1.00 0.00 C ATOM 374 CE1 PHE A 24 -3.312 6.234 -4.714 1.00 0.00 C ATOM 375 CE2 PHE A 24 -4.500 8.297 -5.166 1.00 0.00 C ATOM 376 CZ PHE A 24 -3.335 7.632 -4.771 1.00 0.00 C ATOM 0 H PHE A 24 -8.752 3.714 -5.789 1.00 0.00 H new ATOM 0 HA PHE A 24 -6.912 4.691 -3.763 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -6.577 4.482 -6.371 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -7.503 5.968 -6.458 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -4.437 4.421 -5.005 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -6.543 8.078 -5.810 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -2.411 5.721 -4.410 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -4.517 9.376 -5.210 1.00 0.00 H new ATOM 0 HZ PHE A 24 -2.453 8.198 -4.510 1.00 0.00 H new ATOM 386 N ASP A 25 -9.477 6.511 -4.866 1.00 0.00 N ATOM 387 CA ASP A 25 -10.369 7.636 -4.552 1.00 0.00 C ATOM 388 C ASP A 25 -10.980 7.535 -3.149 1.00 0.00 C ATOM 389 O ASP A 25 -11.132 8.548 -2.465 1.00 0.00 O ATOM 390 CB ASP A 25 -11.504 7.717 -5.581 1.00 0.00 C ATOM 391 CG ASP A 25 -12.068 9.135 -5.610 1.00 0.00 C ATOM 392 OD1 ASP A 25 -11.539 9.946 -6.354 1.00 0.00 O ATOM 393 OD2 ASP A 25 -13.018 9.389 -4.889 1.00 0.00 O ATOM 0 H ASP A 25 -9.697 6.035 -5.741 1.00 0.00 H new ATOM 0 HA ASP A 25 -9.755 8.536 -4.587 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -11.134 7.442 -6.569 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -12.291 7.007 -5.326 1.00 0.00 H new ATOM 398 N ILE A 26 -11.340 6.316 -2.726 1.00 0.00 N ATOM 399 CA ILE A 26 -11.945 6.128 -1.397 1.00 0.00 C ATOM 400 C ILE A 26 -10.989 6.569 -0.280 1.00 0.00 C ATOM 401 O ILE A 26 -11.426 7.004 0.787 1.00 0.00 O ATOM 402 CB ILE A 26 -12.345 4.663 -1.176 1.00 0.00 C ATOM 403 CG1 ILE A 26 -11.129 3.752 -1.389 1.00 0.00 C ATOM 404 CG2 ILE A 26 -13.449 4.288 -2.168 1.00 0.00 C ATOM 405 CD1 ILE A 26 -11.510 2.299 -1.103 1.00 0.00 C ATOM 0 H ILE A 26 -11.227 5.461 -3.270 1.00 0.00 H new ATOM 0 HA ILE A 26 -12.838 6.752 -1.361 1.00 0.00 H new ATOM 0 HB ILE A 26 -12.709 4.536 -0.156 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -10.767 3.847 -2.413 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -10.314 4.059 -0.733 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -13.737 3.248 -2.016 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -14.314 4.931 -2.009 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -13.082 4.417 -3.186 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -10.642 1.658 -1.256 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -11.850 2.208 -0.071 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -12.310 1.993 -1.777 1.00 0.00 H new ATOM 417 N PHE A 27 -9.684 6.453 -0.536 1.00 0.00 N ATOM 418 CA PHE A 27 -8.675 6.845 0.454 1.00 0.00 C ATOM 419 C PHE A 27 -8.182 8.284 0.219 1.00 0.00 C ATOM 420 O PHE A 27 -7.603 8.899 1.116 1.00 0.00 O ATOM 421 CB PHE A 27 -7.474 5.896 0.394 1.00 0.00 C ATOM 422 CG PHE A 27 -7.755 4.664 1.224 1.00 0.00 C ATOM 423 CD1 PHE A 27 -7.462 4.659 2.594 1.00 0.00 C ATOM 424 CD2 PHE A 27 -8.305 3.526 0.622 1.00 0.00 C ATOM 425 CE1 PHE A 27 -7.722 3.515 3.360 1.00 0.00 C ATOM 426 CE2 PHE A 27 -8.564 2.384 1.389 1.00 0.00 C ATOM 427 CZ PHE A 27 -8.273 2.378 2.757 1.00 0.00 C ATOM 0 H PHE A 27 -9.302 6.094 -1.411 1.00 0.00 H new ATOM 0 HA PHE A 27 -9.146 6.790 1.435 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -7.274 5.612 -0.639 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -6.581 6.400 0.765 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -7.036 5.536 3.059 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -8.530 3.529 -0.434 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -7.497 3.510 4.416 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -8.989 1.507 0.924 1.00 0.00 H new ATOM 0 HZ PHE A 27 -8.473 1.497 3.348 1.00 0.00 H new ATOM 437 N ILE A 28 -8.406 8.813 -0.993 1.00 0.00 N ATOM 438 CA ILE A 28 -7.968 10.178 -1.325 1.00 0.00 C ATOM 439 C ILE A 28 -9.030 11.207 -0.936 1.00 0.00 C ATOM 440 O ILE A 28 -8.712 12.371 -0.686 1.00 0.00 O ATOM 441 CB ILE A 28 -7.678 10.307 -2.829 1.00 0.00 C ATOM 442 CG1 ILE A 28 -6.688 9.229 -3.292 1.00 0.00 C ATOM 443 CG2 ILE A 28 -7.069 11.675 -3.134 1.00 0.00 C ATOM 444 CD1 ILE A 28 -5.796 8.769 -2.133 1.00 0.00 C ATOM 0 H ILE A 28 -8.882 8.324 -1.751 1.00 0.00 H new ATOM 0 HA ILE A 28 -7.056 10.372 -0.760 1.00 0.00 H new ATOM 0 HB ILE A 28 -8.624 10.186 -3.357 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -7.235 8.377 -3.695 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -6.069 9.621 -4.099 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -6.868 11.754 -4.202 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -7.767 12.458 -2.837 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -6.137 11.790 -2.580 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -5.104 8.005 -2.488 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -5.232 9.619 -1.748 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -6.417 8.355 -1.338 1.00 0.00 H new ATOM 456 N GLN A 29 -10.293 10.769 -0.884 1.00 0.00 N ATOM 457 CA GLN A 29 -11.395 11.669 -0.515 1.00 0.00 C ATOM 458 C GLN A 29 -11.117 12.339 0.836 1.00 0.00 C ATOM 459 O GLN A 29 -11.486 13.495 1.053 1.00 0.00 O ATOM 460 CB GLN A 29 -12.733 10.914 -0.445 1.00 0.00 C ATOM 461 CG GLN A 29 -12.615 9.696 0.481 1.00 0.00 C ATOM 462 CD GLN A 29 -13.408 9.944 1.762 1.00 0.00 C ATOM 463 OE1 GLN A 29 -12.832 10.043 2.845 1.00 0.00 O ATOM 464 NE2 GLN A 29 -14.708 10.049 1.706 1.00 0.00 N ATOM 0 H GLN A 29 -10.577 9.811 -1.089 1.00 0.00 H new ATOM 0 HA GLN A 29 -11.465 12.433 -1.289 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -13.515 11.581 -0.081 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -13.028 10.592 -1.444 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -12.990 8.806 -0.024 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -11.568 9.509 0.720 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -15.188 9.967 0.810 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -15.244 10.213 2.558 1.00 0.00 H new ATOM 473 N ASP A 30 -10.447 11.606 1.732 1.00 0.00 N ATOM 474 CA ASP A 30 -10.102 12.140 3.052 1.00 0.00 C ATOM 475 C ASP A 30 -8.722 12.813 3.021 1.00 0.00 C ATOM 476 O ASP A 30 -8.432 13.687 3.841 1.00 0.00 O ATOM 477 CB ASP A 30 -10.102 11.030 4.119 1.00 0.00 C ATOM 478 CG ASP A 30 -9.283 9.830 3.642 1.00 0.00 C ATOM 479 OD1 ASP A 30 -9.856 8.960 3.004 1.00 0.00 O ATOM 480 OD2 ASP A 30 -8.095 9.798 3.925 1.00 0.00 O ATOM 0 H ASP A 30 -10.135 10.649 1.568 1.00 0.00 H new ATOM 0 HA ASP A 30 -10.859 12.879 3.313 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -9.687 11.413 5.051 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -11.125 10.719 4.329 1.00 0.00 H new ATOM 485 N ALA A 31 -7.876 12.404 2.061 1.00 0.00 N ATOM 486 CA ALA A 31 -6.537 12.978 1.929 1.00 0.00 C ATOM 487 C ALA A 31 -6.618 14.417 1.416 1.00 0.00 C ATOM 488 O ALA A 31 -7.563 14.790 0.716 1.00 0.00 O ATOM 489 CB ALA A 31 -5.693 12.149 0.958 1.00 0.00 C ATOM 0 H ALA A 31 -8.098 11.684 1.373 1.00 0.00 H new ATOM 0 HA ALA A 31 -6.070 12.971 2.914 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -4.700 12.590 0.871 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -5.606 11.129 1.331 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -6.171 12.137 -0.021 1.00 0.00 H new ATOM 495 N GLU A 32 -5.616 15.220 1.777 1.00 0.00 N ATOM 496 CA GLU A 32 -5.574 16.626 1.360 1.00 0.00 C ATOM 497 C GLU A 32 -4.659 16.822 0.147 1.00 0.00 C ATOM 498 O GLU A 32 -4.936 17.653 -0.720 1.00 0.00 O ATOM 499 CB GLU A 32 -5.071 17.511 2.505 1.00 0.00 C ATOM 500 CG GLU A 32 -6.078 17.486 3.660 1.00 0.00 C ATOM 501 CD GLU A 32 -5.334 17.339 4.985 1.00 0.00 C ATOM 502 OE1 GLU A 32 -5.081 16.211 5.377 1.00 0.00 O ATOM 503 OE2 GLU A 32 -5.031 18.356 5.589 1.00 0.00 O ATOM 0 H GLU A 32 -4.827 14.926 2.353 1.00 0.00 H new ATOM 0 HA GLU A 32 -6.590 16.912 1.088 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -4.099 17.158 2.850 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -4.932 18.533 2.153 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -6.667 18.403 3.662 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -6.776 16.659 3.530 1.00 0.00 H new ATOM 510 N ASP A 33 -3.565 16.057 0.099 1.00 0.00 N ATOM 511 CA ASP A 33 -2.610 16.162 -1.009 1.00 0.00 C ATOM 512 C ASP A 33 -3.124 15.430 -2.252 1.00 0.00 C ATOM 513 O ASP A 33 -2.965 15.911 -3.375 1.00 0.00 O ATOM 514 CB ASP A 33 -1.255 15.570 -0.608 1.00 0.00 C ATOM 515 CG ASP A 33 -0.460 16.604 0.183 1.00 0.00 C ATOM 516 OD1 ASP A 33 0.259 17.372 -0.439 1.00 0.00 O ATOM 517 OD2 ASP A 33 -0.582 16.614 1.400 1.00 0.00 O ATOM 0 H ASP A 33 -3.319 15.365 0.807 1.00 0.00 H new ATOM 0 HA ASP A 33 -2.494 17.221 -1.241 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -1.402 14.672 -0.008 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -0.700 15.271 -1.497 1.00 0.00 H new ATOM 522 N GLY A 34 -3.742 14.264 -2.038 1.00 0.00 N ATOM 523 CA GLY A 34 -4.277 13.470 -3.148 1.00 0.00 C ATOM 524 C GLY A 34 -3.549 12.131 -3.270 1.00 0.00 C ATOM 525 O GLY A 34 -3.250 11.674 -4.375 1.00 0.00 O ATOM 0 H GLY A 34 -3.883 13.852 -1.116 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -5.342 13.295 -2.994 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -4.177 14.028 -4.079 1.00 0.00 H new ATOM 529 N CYS A 35 -3.267 11.508 -2.122 1.00 0.00 N ATOM 530 CA CYS A 35 -2.570 10.220 -2.102 1.00 0.00 C ATOM 531 C CYS A 35 -2.875 9.467 -0.805 1.00 0.00 C ATOM 532 O CYS A 35 -3.498 10.008 0.112 1.00 0.00 O ATOM 533 CB CYS A 35 -1.051 10.411 -2.226 1.00 0.00 C ATOM 534 SG CYS A 35 -0.585 12.088 -1.716 1.00 0.00 S ATOM 0 H CYS A 35 -3.509 11.872 -1.200 1.00 0.00 H new ATOM 0 HA CYS A 35 -2.925 9.641 -2.954 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -0.534 9.678 -1.607 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -0.738 10.236 -3.255 1.00 0.00 H new ATOM 0 HG CYS A 35 0.409 12.503 -2.444 1.00 0.00 H new ATOM 540 N ILE A 36 -2.423 8.213 -0.736 1.00 0.00 N ATOM 541 CA ILE A 36 -2.648 7.392 0.454 1.00 0.00 C ATOM 542 C ILE A 36 -1.358 7.286 1.274 1.00 0.00 C ATOM 543 O ILE A 36 -0.306 7.775 0.862 1.00 0.00 O ATOM 544 CB ILE A 36 -3.132 5.988 0.064 1.00 0.00 C ATOM 545 CG1 ILE A 36 -2.103 5.311 -0.847 1.00 0.00 C ATOM 546 CG2 ILE A 36 -4.468 6.094 -0.677 1.00 0.00 C ATOM 547 CD1 ILE A 36 -1.469 4.137 -0.108 1.00 0.00 C ATOM 0 H ILE A 36 -1.905 7.748 -1.482 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.419 7.871 1.057 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.258 5.393 0.969 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.583 4.963 -1.761 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.336 6.027 -1.142 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.811 5.097 -0.953 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.207 6.565 -0.029 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.338 6.696 -1.577 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -0.736 3.653 -0.754 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -0.975 4.499 0.794 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -2.242 3.419 0.165 1.00 0.00 H new ATOM 559 N SER A 37 -1.450 6.646 2.441 1.00 0.00 N ATOM 560 CA SER A 37 -0.284 6.485 3.309 1.00 0.00 C ATOM 561 C SER A 37 0.399 5.144 3.053 1.00 0.00 C ATOM 562 O SER A 37 -0.201 4.215 2.509 1.00 0.00 O ATOM 563 CB SER A 37 -0.694 6.564 4.782 1.00 0.00 C ATOM 564 OG SER A 37 0.442 6.896 5.570 1.00 0.00 O ATOM 0 H SER A 37 -2.310 6.235 2.803 1.00 0.00 H new ATOM 0 HA SER A 37 0.412 7.293 3.083 1.00 0.00 H new ATOM 0 HB2 SER A 37 -1.474 7.314 4.914 1.00 0.00 H new ATOM 0 HB3 SER A 37 -1.110 5.610 5.107 1.00 0.00 H new ATOM 0 HG SER A 37 0.182 6.949 6.513 1.00 0.00 H new ATOM 570 N THR A 38 1.661 5.051 3.468 1.00 0.00 N ATOM 571 CA THR A 38 2.434 3.815 3.300 1.00 0.00 C ATOM 572 C THR A 38 1.775 2.657 4.060 1.00 0.00 C ATOM 573 O THR A 38 1.809 1.509 3.613 1.00 0.00 O ATOM 574 CB THR A 38 3.868 3.999 3.814 1.00 0.00 C ATOM 575 OG1 THR A 38 3.838 4.453 5.162 1.00 0.00 O ATOM 576 CG2 THR A 38 4.597 5.028 2.946 1.00 0.00 C ATOM 0 H THR A 38 2.170 5.810 3.921 1.00 0.00 H new ATOM 0 HA THR A 38 2.459 3.582 2.236 1.00 0.00 H new ATOM 0 HB THR A 38 4.393 3.045 3.764 1.00 0.00 H new ATOM 0 HG1 THR A 38 4.755 4.568 5.489 1.00 0.00 H new ATOM 0 HG21 THR A 38 5.615 5.157 3.313 1.00 0.00 H new ATOM 0 HG22 THR A 38 4.625 4.679 1.914 1.00 0.00 H new ATOM 0 HG23 THR A 38 4.071 5.981 2.993 1.00 0.00 H new ATOM 584 N LYS A 39 1.170 2.975 5.212 1.00 0.00 N ATOM 585 CA LYS A 39 0.499 1.961 6.031 1.00 0.00 C ATOM 586 C LYS A 39 -0.941 1.709 5.555 1.00 0.00 C ATOM 587 O LYS A 39 -1.632 0.836 6.086 1.00 0.00 O ATOM 588 CB LYS A 39 0.467 2.403 7.500 1.00 0.00 C ATOM 589 CG LYS A 39 1.887 2.728 7.988 1.00 0.00 C ATOM 590 CD LYS A 39 2.837 1.580 7.633 1.00 0.00 C ATOM 591 CE LYS A 39 4.246 1.902 8.143 1.00 0.00 C ATOM 592 NZ LYS A 39 4.873 0.666 8.696 1.00 0.00 N ATOM 0 H LYS A 39 1.132 3.920 5.595 1.00 0.00 H new ATOM 0 HA LYS A 39 1.066 1.036 5.930 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -0.172 3.279 7.610 1.00 0.00 H new ATOM 0 HB3 LYS A 39 0.035 1.614 8.115 1.00 0.00 H new ATOM 0 HG2 LYS A 39 2.235 3.654 7.530 1.00 0.00 H new ATOM 0 HG3 LYS A 39 1.883 2.887 9.066 1.00 0.00 H new ATOM 0 HD2 LYS A 39 2.482 0.650 8.078 1.00 0.00 H new ATOM 0 HD3 LYS A 39 2.855 1.430 6.553 1.00 0.00 H new ATOM 0 HE2 LYS A 39 4.856 2.299 7.331 1.00 0.00 H new ATOM 0 HE3 LYS A 39 4.198 2.673 8.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 5.829 0.886 9.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 4.295 0.305 9.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 4.932 -0.057 7.950 1.00 0.00 H new ATOM 606 N GLU A 40 -1.388 2.475 4.550 1.00 0.00 N ATOM 607 CA GLU A 40 -2.745 2.318 4.018 1.00 0.00 C ATOM 608 C GLU A 40 -2.822 1.189 2.980 1.00 0.00 C ATOM 609 O GLU A 40 -3.912 0.849 2.513 1.00 0.00 O ATOM 610 CB GLU A 40 -3.218 3.623 3.365 1.00 0.00 C ATOM 611 CG GLU A 40 -4.369 4.219 4.182 1.00 0.00 C ATOM 612 CD GLU A 40 -3.813 5.180 5.228 1.00 0.00 C ATOM 613 OE1 GLU A 40 -3.289 4.707 6.224 1.00 0.00 O ATOM 614 OE2 GLU A 40 -3.921 6.378 5.018 1.00 0.00 O ATOM 0 H GLU A 40 -0.835 3.201 4.095 1.00 0.00 H new ATOM 0 HA GLU A 40 -3.391 2.065 4.859 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -2.393 4.333 3.309 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -3.545 3.432 2.343 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -5.062 4.744 3.524 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -4.933 3.423 4.669 1.00 0.00 H new ATOM 621 N LEU A 41 -1.667 0.603 2.621 1.00 0.00 N ATOM 622 CA LEU A 41 -1.648 -0.485 1.642 1.00 0.00 C ATOM 623 C LEU A 41 -2.409 -1.701 2.172 1.00 0.00 C ATOM 624 O LEU A 41 -3.198 -2.312 1.454 1.00 0.00 O ATOM 625 CB LEU A 41 -0.211 -0.897 1.304 1.00 0.00 C ATOM 626 CG LEU A 41 -0.078 -2.052 0.302 1.00 0.00 C ATOM 627 CD1 LEU A 41 -1.013 -1.818 -0.890 1.00 0.00 C ATOM 628 CD2 LEU A 41 1.368 -2.131 -0.196 1.00 0.00 C ATOM 0 H LEU A 41 -0.752 0.862 2.989 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.134 -0.120 0.737 1.00 0.00 H new ATOM 0 HB2 LEU A 41 0.314 -0.029 0.905 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.295 -1.179 2.227 1.00 0.00 H new ATOM 0 HG LEU A 41 -0.349 -2.986 0.794 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -0.914 -2.641 -1.597 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.043 -1.764 -0.539 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.748 -0.883 -1.382 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.463 -2.951 -0.908 1.00 0.00 H new ATOM 0 HD22 LEU A 41 1.636 -1.194 -0.684 1.00 0.00 H new ATOM 0 HD23 LEU A 41 2.035 -2.304 0.649 1.00 0.00 H new ATOM 640 N GLY A 42 -2.175 -2.041 3.442 1.00 0.00 N ATOM 641 CA GLY A 42 -2.860 -3.180 4.057 1.00 0.00 C ATOM 642 C GLY A 42 -4.376 -2.949 4.143 1.00 0.00 C ATOM 643 O GLY A 42 -5.145 -3.896 4.323 1.00 0.00 O ATOM 0 H GLY A 42 -1.525 -1.551 4.057 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -2.661 -4.081 3.477 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -2.460 -3.349 5.057 1.00 0.00 H new ATOM 647 N LYS A 43 -4.797 -1.682 4.017 1.00 0.00 N ATOM 648 CA LYS A 43 -6.217 -1.335 4.087 1.00 0.00 C ATOM 649 C LYS A 43 -6.897 -1.484 2.721 1.00 0.00 C ATOM 650 O LYS A 43 -8.073 -1.844 2.644 1.00 0.00 O ATOM 651 CB LYS A 43 -6.391 0.107 4.574 1.00 0.00 C ATOM 652 CG LYS A 43 -5.667 0.292 5.912 1.00 0.00 C ATOM 653 CD LYS A 43 -6.196 1.545 6.616 1.00 0.00 C ATOM 654 CE LYS A 43 -7.289 1.150 7.614 1.00 0.00 C ATOM 655 NZ LYS A 43 -7.218 2.037 8.811 1.00 0.00 N ATOM 0 H LYS A 43 -4.175 -0.887 3.867 1.00 0.00 H new ATOM 0 HA LYS A 43 -6.685 -2.023 4.791 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -5.992 0.801 3.835 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -7.450 0.337 4.688 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -5.820 -0.583 6.543 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -4.593 0.382 5.746 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -5.383 2.054 7.134 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -6.595 2.246 5.882 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -8.270 1.232 7.146 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -7.164 0.109 7.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -7.961 1.767 9.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -6.286 1.937 9.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -7.358 3.025 8.519 1.00 0.00 H new ATOM 669 N VAL A 44 -6.151 -1.199 1.644 1.00 0.00 N ATOM 670 CA VAL A 44 -6.707 -1.303 0.291 1.00 0.00 C ATOM 671 C VAL A 44 -6.776 -2.765 -0.160 1.00 0.00 C ATOM 672 O VAL A 44 -7.678 -3.146 -0.908 1.00 0.00 O ATOM 673 CB VAL A 44 -5.880 -0.491 -0.719 1.00 0.00 C ATOM 674 CG1 VAL A 44 -6.002 0.999 -0.396 1.00 0.00 C ATOM 675 CG2 VAL A 44 -4.406 -0.902 -0.658 1.00 0.00 C ATOM 0 H VAL A 44 -5.177 -0.899 1.683 1.00 0.00 H new ATOM 0 HA VAL A 44 -7.716 -0.892 0.324 1.00 0.00 H new ATOM 0 HB VAL A 44 -6.261 -0.687 -1.721 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.416 1.576 -1.112 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -7.048 1.300 -0.457 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -5.629 1.185 0.611 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -3.835 -0.317 -1.379 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -4.019 -0.720 0.344 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -4.314 -1.962 -0.896 1.00 0.00 H new ATOM 685 N MET A 45 -5.824 -3.584 0.314 1.00 0.00 N ATOM 686 CA MET A 45 -5.803 -5.008 -0.039 1.00 0.00 C ATOM 687 C MET A 45 -7.102 -5.685 0.398 1.00 0.00 C ATOM 688 O MET A 45 -7.616 -6.564 -0.291 1.00 0.00 O ATOM 689 CB MET A 45 -4.624 -5.733 0.631 1.00 0.00 C ATOM 690 CG MET A 45 -3.307 -5.011 0.324 1.00 0.00 C ATOM 691 SD MET A 45 -2.505 -5.790 -1.097 1.00 0.00 S ATOM 692 CE MET A 45 -3.715 -5.262 -2.331 1.00 0.00 C ATOM 0 H MET A 45 -5.070 -3.288 0.934 1.00 0.00 H new ATOM 0 HA MET A 45 -5.693 -5.071 -1.122 1.00 0.00 H new ATOM 0 HB2 MET A 45 -4.780 -5.775 1.709 1.00 0.00 H new ATOM 0 HB3 MET A 45 -4.573 -6.762 0.276 1.00 0.00 H new ATOM 0 HG2 MET A 45 -3.498 -3.958 0.115 1.00 0.00 H new ATOM 0 HG3 MET A 45 -2.649 -5.049 1.192 1.00 0.00 H new ATOM 0 HE1 MET A 45 -3.243 -5.228 -3.313 1.00 0.00 H new ATOM 0 HE2 MET A 45 -4.545 -5.968 -2.352 1.00 0.00 H new ATOM 0 HE3 MET A 45 -4.088 -4.271 -2.074 1.00 0.00 H new ATOM 702 N ARG A 46 -7.626 -5.259 1.549 1.00 0.00 N ATOM 703 CA ARG A 46 -8.872 -5.824 2.077 1.00 0.00 C ATOM 704 C ARG A 46 -10.038 -5.549 1.123 1.00 0.00 C ATOM 705 O ARG A 46 -10.916 -6.396 0.939 1.00 0.00 O ATOM 706 CB ARG A 46 -9.198 -5.225 3.449 1.00 0.00 C ATOM 707 CG ARG A 46 -8.441 -5.992 4.536 1.00 0.00 C ATOM 708 CD ARG A 46 -8.699 -5.345 5.899 1.00 0.00 C ATOM 709 NE ARG A 46 -9.007 -6.361 6.909 1.00 0.00 N ATOM 710 CZ ARG A 46 -9.234 -6.036 8.191 1.00 0.00 C ATOM 711 NH1 ARG A 46 -9.188 -4.784 8.584 1.00 0.00 N ATOM 712 NH2 ARG A 46 -9.505 -6.977 9.058 1.00 0.00 N ATOM 0 H ARG A 46 -7.212 -4.530 2.130 1.00 0.00 H new ATOM 0 HA ARG A 46 -8.732 -6.900 2.176 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -8.920 -4.171 3.473 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -10.271 -5.276 3.634 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -8.762 -7.033 4.550 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -7.373 -5.991 4.319 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -7.823 -4.774 6.207 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -9.527 -4.641 5.821 1.00 0.00 H new ATOM 0 HE ARG A 46 -9.050 -7.341 6.630 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -8.978 -4.046 7.912 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -9.362 -4.549 9.561 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -9.543 -7.951 8.758 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -9.679 -6.737 10.034 1.00 0.00 H new ATOM 726 N MET A 47 -10.034 -4.357 0.518 1.00 0.00 N ATOM 727 CA MET A 47 -11.093 -3.969 -0.418 1.00 0.00 C ATOM 728 C MET A 47 -10.894 -4.636 -1.784 1.00 0.00 C ATOM 729 O MET A 47 -11.866 -4.982 -2.459 1.00 0.00 O ATOM 730 CB MET A 47 -11.111 -2.448 -0.607 1.00 0.00 C ATOM 731 CG MET A 47 -11.660 -1.776 0.655 1.00 0.00 C ATOM 732 SD MET A 47 -13.449 -2.038 0.751 1.00 0.00 S ATOM 733 CE MET A 47 -13.897 -0.369 1.285 1.00 0.00 C ATOM 0 H MET A 47 -9.314 -3.648 0.659 1.00 0.00 H new ATOM 0 HA MET A 47 -12.041 -4.299 0.006 1.00 0.00 H new ATOM 0 HB2 MET A 47 -10.104 -2.086 -0.814 1.00 0.00 H new ATOM 0 HB3 MET A 47 -11.727 -2.186 -1.467 1.00 0.00 H new ATOM 0 HG2 MET A 47 -11.174 -2.187 1.540 1.00 0.00 H new ATOM 0 HG3 MET A 47 -11.439 -0.709 0.637 1.00 0.00 H new ATOM 0 HE1 MET A 47 -14.978 -0.304 1.409 1.00 0.00 H new ATOM 0 HE2 MET A 47 -13.409 -0.148 2.234 1.00 0.00 H new ATOM 0 HE3 MET A 47 -13.574 0.352 0.534 1.00 0.00 H new ATOM 743 N LEU A 48 -9.628 -4.810 -2.187 1.00 0.00 N ATOM 744 CA LEU A 48 -9.322 -5.430 -3.481 1.00 0.00 C ATOM 745 C LEU A 48 -9.513 -6.950 -3.414 1.00 0.00 C ATOM 746 O LEU A 48 -10.416 -7.498 -4.050 1.00 0.00 O ATOM 747 CB LEU A 48 -7.882 -5.116 -3.904 1.00 0.00 C ATOM 748 CG LEU A 48 -7.678 -3.741 -4.552 1.00 0.00 C ATOM 749 CD1 LEU A 48 -6.193 -3.372 -4.516 1.00 0.00 C ATOM 750 CD2 LEU A 48 -8.156 -3.784 -6.008 1.00 0.00 C ATOM 0 H LEU A 48 -8.810 -4.534 -1.643 1.00 0.00 H new ATOM 0 HA LEU A 48 -10.010 -5.017 -4.219 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -7.239 -5.186 -3.027 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -7.550 -5.883 -4.604 1.00 0.00 H new ATOM 0 HG LEU A 48 -8.252 -2.995 -4.002 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -6.050 -2.395 -4.977 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -5.851 -3.339 -3.481 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -5.619 -4.119 -5.064 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -8.011 -2.806 -6.468 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -7.584 -4.532 -6.557 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -9.214 -4.044 -6.036 1.00 0.00 H new ATOM 762 N GLY A 49 -8.657 -7.621 -2.638 1.00 0.00 N ATOM 763 CA GLY A 49 -8.742 -9.078 -2.493 1.00 0.00 C ATOM 764 C GLY A 49 -7.409 -9.664 -2.025 1.00 0.00 C ATOM 765 O GLY A 49 -6.867 -10.577 -2.650 1.00 0.00 O ATOM 0 H GLY A 49 -7.904 -7.185 -2.105 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -9.525 -9.330 -1.778 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -9.025 -9.525 -3.446 1.00 0.00 H new ATOM 769 N GLN A 50 -6.892 -9.125 -0.918 1.00 0.00 N ATOM 770 CA GLN A 50 -5.620 -9.587 -0.358 1.00 0.00 C ATOM 771 C GLN A 50 -5.545 -9.262 1.135 1.00 0.00 C ATOM 772 O GLN A 50 -6.285 -8.412 1.636 1.00 0.00 O ATOM 773 CB GLN A 50 -4.444 -8.909 -1.072 1.00 0.00 C ATOM 774 CG GLN A 50 -3.886 -9.842 -2.150 1.00 0.00 C ATOM 775 CD GLN A 50 -2.549 -9.298 -2.649 1.00 0.00 C ATOM 776 OE1 GLN A 50 -1.488 -9.750 -2.219 1.00 0.00 O ATOM 777 NE2 GLN A 50 -2.537 -8.342 -3.539 1.00 0.00 N ATOM 0 H GLN A 50 -7.334 -8.370 -0.393 1.00 0.00 H new ATOM 0 HA GLN A 50 -5.561 -10.666 -0.500 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -4.771 -7.972 -1.523 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -3.664 -8.661 -0.353 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -3.755 -10.846 -1.745 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -4.591 -9.922 -2.978 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -3.416 -7.967 -3.896 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -1.649 -7.971 -3.877 1.00 0.00 H new ATOM 786 N ASN A 51 -4.638 -9.943 1.840 1.00 0.00 N ATOM 787 CA ASN A 51 -4.474 -9.712 3.277 1.00 0.00 C ATOM 788 C ASN A 51 -3.057 -10.084 3.734 1.00 0.00 C ATOM 789 O ASN A 51 -2.846 -11.120 4.370 1.00 0.00 O ATOM 790 CB ASN A 51 -5.504 -10.527 4.072 1.00 0.00 C ATOM 791 CG ASN A 51 -5.797 -9.824 5.395 1.00 0.00 C ATOM 792 OD1 ASN A 51 -5.187 -10.136 6.418 1.00 0.00 O ATOM 793 ND2 ASN A 51 -6.702 -8.882 5.437 1.00 0.00 N ATOM 0 H ASN A 51 -4.015 -10.648 1.447 1.00 0.00 H new ATOM 0 HA ASN A 51 -4.634 -8.650 3.466 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -6.422 -10.636 3.494 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -5.124 -11.531 4.258 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -6.902 -8.406 6.317 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -7.208 -8.623 4.590 1.00 0.00 H new ATOM 800 N PRO A 52 -2.073 -9.232 3.416 1.00 0.00 N ATOM 801 CA PRO A 52 -0.666 -9.463 3.803 1.00 0.00 C ATOM 802 C PRO A 52 -0.364 -8.999 5.232 1.00 0.00 C ATOM 803 O PRO A 52 -1.274 -8.702 6.010 1.00 0.00 O ATOM 804 CB PRO A 52 0.088 -8.603 2.793 1.00 0.00 C ATOM 805 CG PRO A 52 -0.873 -7.516 2.327 1.00 0.00 C ATOM 806 CD PRO A 52 -2.296 -7.988 2.650 1.00 0.00 C ATOM 0 HA PRO A 52 -0.396 -10.519 3.794 1.00 0.00 H new ATOM 0 HB2 PRO A 52 0.976 -8.164 3.248 1.00 0.00 H new ATOM 0 HB3 PRO A 52 0.426 -9.206 1.950 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -0.658 -6.573 2.830 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -0.762 -7.339 1.257 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -2.843 -7.248 3.234 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -2.875 -8.171 1.745 1.00 0.00 H new ATOM 814 N THR A 53 0.927 -8.933 5.556 1.00 0.00 N ATOM 815 CA THR A 53 1.366 -8.492 6.883 1.00 0.00 C ATOM 816 C THR A 53 1.836 -7.037 6.805 1.00 0.00 C ATOM 817 O THR A 53 1.975 -6.488 5.710 1.00 0.00 O ATOM 818 CB THR A 53 2.519 -9.377 7.393 1.00 0.00 C ATOM 819 OG1 THR A 53 3.734 -8.996 6.760 1.00 0.00 O ATOM 820 CG2 THR A 53 2.227 -10.845 7.081 1.00 0.00 C ATOM 0 H THR A 53 1.687 -9.178 4.921 1.00 0.00 H new ATOM 0 HA THR A 53 0.528 -8.575 7.576 1.00 0.00 H new ATOM 0 HB THR A 53 2.613 -9.248 8.471 1.00 0.00 H new ATOM 0 HG1 THR A 53 4.316 -9.779 6.672 1.00 0.00 H new ATOM 0 HG21 THR A 53 3.047 -11.464 7.445 1.00 0.00 H new ATOM 0 HG22 THR A 53 1.301 -11.144 7.572 1.00 0.00 H new ATOM 0 HG23 THR A 53 2.125 -10.975 6.004 1.00 0.00 H new ATOM 828 N PRO A 54 2.104 -6.398 7.951 1.00 0.00 N ATOM 829 CA PRO A 54 2.577 -5.000 7.966 1.00 0.00 C ATOM 830 C PRO A 54 4.007 -4.863 7.443 1.00 0.00 C ATOM 831 O PRO A 54 4.371 -3.835 6.870 1.00 0.00 O ATOM 832 CB PRO A 54 2.474 -4.627 9.440 1.00 0.00 C ATOM 833 CG PRO A 54 2.506 -5.929 10.224 1.00 0.00 C ATOM 834 CD PRO A 54 1.971 -7.017 9.291 1.00 0.00 C ATOM 0 HA PRO A 54 1.996 -4.349 7.313 1.00 0.00 H new ATOM 0 HB2 PRO A 54 3.299 -3.978 9.733 1.00 0.00 H new ATOM 0 HB3 PRO A 54 1.552 -4.079 9.637 1.00 0.00 H new ATOM 0 HG2 PRO A 54 3.521 -6.161 10.547 1.00 0.00 H new ATOM 0 HG3 PRO A 54 1.894 -5.855 11.123 1.00 0.00 H new ATOM 0 HD2 PRO A 54 2.549 -7.937 9.370 1.00 0.00 H new ATOM 0 HD3 PRO A 54 0.936 -7.271 9.518 1.00 0.00 H new ATOM 842 N GLU A 55 4.802 -5.921 7.626 1.00 0.00 N ATOM 843 CA GLU A 55 6.185 -5.919 7.146 1.00 0.00 C ATOM 844 C GLU A 55 6.235 -6.315 5.665 1.00 0.00 C ATOM 845 O GLU A 55 7.088 -5.840 4.912 1.00 0.00 O ATOM 846 CB GLU A 55 7.056 -6.884 7.965 1.00 0.00 C ATOM 847 CG GLU A 55 6.501 -8.311 7.884 1.00 0.00 C ATOM 848 CD GLU A 55 7.449 -9.269 8.600 1.00 0.00 C ATOM 849 OE1 GLU A 55 7.317 -9.412 9.806 1.00 0.00 O ATOM 850 OE2 GLU A 55 8.293 -9.846 7.930 1.00 0.00 O ATOM 0 H GLU A 55 4.516 -6.779 8.097 1.00 0.00 H new ATOM 0 HA GLU A 55 6.578 -4.909 7.265 1.00 0.00 H new ATOM 0 HB2 GLU A 55 8.080 -6.864 7.592 1.00 0.00 H new ATOM 0 HB3 GLU A 55 7.089 -6.559 9.005 1.00 0.00 H new ATOM 0 HG2 GLU A 55 5.512 -8.354 8.339 1.00 0.00 H new ATOM 0 HG3 GLU A 55 6.385 -8.609 6.842 1.00 0.00 H new ATOM 857 N GLU A 56 5.305 -7.190 5.260 1.00 0.00 N ATOM 858 CA GLU A 56 5.236 -7.653 3.872 1.00 0.00 C ATOM 859 C GLU A 56 4.796 -6.517 2.946 1.00 0.00 C ATOM 860 O GLU A 56 5.477 -6.205 1.967 1.00 0.00 O ATOM 861 CB GLU A 56 4.249 -8.820 3.744 1.00 0.00 C ATOM 862 CG GLU A 56 4.524 -9.592 2.451 1.00 0.00 C ATOM 863 CD GLU A 56 3.258 -9.634 1.604 1.00 0.00 C ATOM 864 OE1 GLU A 56 3.032 -8.689 0.860 1.00 0.00 O ATOM 865 OE2 GLU A 56 2.532 -10.611 1.713 1.00 0.00 O ATOM 0 H GLU A 56 4.594 -7.589 5.873 1.00 0.00 H new ATOM 0 HA GLU A 56 6.231 -7.988 3.580 1.00 0.00 H new ATOM 0 HB2 GLU A 56 4.344 -9.485 4.603 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.226 -8.445 3.744 1.00 0.00 H new ATOM 0 HG2 GLU A 56 5.331 -9.115 1.895 1.00 0.00 H new ATOM 0 HG3 GLU A 56 4.853 -10.605 2.683 1.00 0.00 H new ATOM 872 N LEU A 57 3.654 -5.895 3.266 1.00 0.00 N ATOM 873 CA LEU A 57 3.142 -4.788 2.454 1.00 0.00 C ATOM 874 C LEU A 57 4.123 -3.610 2.447 1.00 0.00 C ATOM 875 O LEU A 57 4.211 -2.873 1.463 1.00 0.00 O ATOM 876 CB LEU A 57 1.783 -4.312 2.980 1.00 0.00 C ATOM 877 CG LEU A 57 1.803 -3.662 4.368 1.00 0.00 C ATOM 878 CD1 LEU A 57 1.950 -2.142 4.230 1.00 0.00 C ATOM 879 CD2 LEU A 57 0.496 -3.984 5.096 1.00 0.00 C ATOM 0 H LEU A 57 3.075 -6.136 4.070 1.00 0.00 H new ATOM 0 HA LEU A 57 3.025 -5.157 1.435 1.00 0.00 H new ATOM 0 HB2 LEU A 57 1.368 -3.597 2.269 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.105 -5.165 3.007 1.00 0.00 H new ATOM 0 HG LEU A 57 2.647 -4.052 4.937 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.963 -1.686 5.220 1.00 0.00 H new ATOM 0 HD12 LEU A 57 2.881 -1.912 3.712 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.110 -1.746 3.660 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.507 -3.523 6.084 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.345 -3.594 4.523 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.394 -5.064 5.201 1.00 0.00 H new ATOM 891 N GLN A 58 4.858 -3.441 3.557 1.00 0.00 N ATOM 892 CA GLN A 58 5.832 -2.350 3.667 1.00 0.00 C ATOM 893 C GLN A 58 6.874 -2.438 2.550 1.00 0.00 C ATOM 894 O GLN A 58 7.296 -1.417 2.004 1.00 0.00 O ATOM 895 CB GLN A 58 6.552 -2.395 5.021 1.00 0.00 C ATOM 896 CG GLN A 58 6.341 -1.071 5.764 1.00 0.00 C ATOM 897 CD GLN A 58 7.021 0.064 5.000 1.00 0.00 C ATOM 898 OE1 GLN A 58 8.224 0.284 5.145 1.00 0.00 O ATOM 899 NE2 GLN A 58 6.317 0.805 4.186 1.00 0.00 N ATOM 0 H GLN A 58 4.796 -4.039 4.381 1.00 0.00 H new ATOM 0 HA GLN A 58 5.283 -1.412 3.579 1.00 0.00 H new ATOM 0 HB2 GLN A 58 6.171 -3.223 5.619 1.00 0.00 H new ATOM 0 HB3 GLN A 58 7.617 -2.573 4.872 1.00 0.00 H new ATOM 0 HG2 GLN A 58 5.275 -0.866 5.866 1.00 0.00 H new ATOM 0 HG3 GLN A 58 6.750 -1.140 6.772 1.00 0.00 H new ATOM 0 HE21 GLN A 58 5.321 0.624 4.065 1.00 0.00 H new ATOM 0 HE22 GLN A 58 6.764 1.564 3.672 1.00 0.00 H new ATOM 908 N GLU A 59 7.275 -3.668 2.213 1.00 0.00 N ATOM 909 CA GLU A 59 8.259 -3.883 1.150 1.00 0.00 C ATOM 910 C GLU A 59 7.742 -3.324 -0.173 1.00 0.00 C ATOM 911 O GLU A 59 8.462 -2.624 -0.883 1.00 0.00 O ATOM 912 CB GLU A 59 8.556 -5.377 0.979 1.00 0.00 C ATOM 913 CG GLU A 59 9.815 -5.747 1.770 1.00 0.00 C ATOM 914 CD GLU A 59 11.050 -5.214 1.048 1.00 0.00 C ATOM 915 OE1 GLU A 59 11.441 -5.813 0.059 1.00 0.00 O ATOM 916 OE2 GLU A 59 11.587 -4.213 1.495 1.00 0.00 O ATOM 0 H GLU A 59 6.937 -4.522 2.657 1.00 0.00 H new ATOM 0 HA GLU A 59 9.175 -3.365 1.433 1.00 0.00 H new ATOM 0 HB2 GLU A 59 7.709 -5.968 1.327 1.00 0.00 H new ATOM 0 HB3 GLU A 59 8.696 -5.611 -0.076 1.00 0.00 H new ATOM 0 HG2 GLU A 59 9.761 -5.329 2.775 1.00 0.00 H new ATOM 0 HG3 GLU A 59 9.884 -6.829 1.878 1.00 0.00 H new ATOM 923 N MET A 60 6.479 -3.636 -0.487 1.00 0.00 N ATOM 924 CA MET A 60 5.857 -3.156 -1.724 1.00 0.00 C ATOM 925 C MET A 60 5.862 -1.626 -1.774 1.00 0.00 C ATOM 926 O MET A 60 6.155 -1.035 -2.812 1.00 0.00 O ATOM 927 CB MET A 60 4.412 -3.655 -1.833 1.00 0.00 C ATOM 928 CG MET A 60 4.381 -4.965 -2.626 1.00 0.00 C ATOM 929 SD MET A 60 4.583 -6.363 -1.493 1.00 0.00 S ATOM 930 CE MET A 60 3.159 -7.327 -2.059 1.00 0.00 C ATOM 0 H MET A 60 5.872 -4.214 0.094 1.00 0.00 H new ATOM 0 HA MET A 60 6.438 -3.547 -2.559 1.00 0.00 H new ATOM 0 HB2 MET A 60 3.994 -3.810 -0.838 1.00 0.00 H new ATOM 0 HB3 MET A 60 3.793 -2.905 -2.326 1.00 0.00 H new ATOM 0 HG2 MET A 60 3.438 -5.054 -3.165 1.00 0.00 H new ATOM 0 HG3 MET A 60 5.176 -4.970 -3.372 1.00 0.00 H new ATOM 0 HE1 MET A 60 3.230 -8.343 -1.671 1.00 0.00 H new ATOM 0 HE2 MET A 60 2.240 -6.864 -1.699 1.00 0.00 H new ATOM 0 HE3 MET A 60 3.148 -7.355 -3.149 1.00 0.00 H new ATOM 940 N ILE A 61 5.539 -0.996 -0.636 1.00 0.00 N ATOM 941 CA ILE A 61 5.512 0.466 -0.539 1.00 0.00 C ATOM 942 C ILE A 61 6.816 1.073 -1.066 1.00 0.00 C ATOM 943 O ILE A 61 6.831 1.725 -2.109 1.00 0.00 O ATOM 944 CB ILE A 61 5.314 0.890 0.926 1.00 0.00 C ATOM 945 CG1 ILE A 61 3.905 0.509 1.405 1.00 0.00 C ATOM 946 CG2 ILE A 61 5.515 2.399 1.063 1.00 0.00 C ATOM 947 CD1 ILE A 61 2.866 0.863 0.338 1.00 0.00 C ATOM 0 H ILE A 61 5.293 -1.478 0.229 1.00 0.00 H new ATOM 0 HA ILE A 61 4.683 0.830 -1.146 1.00 0.00 H new ATOM 0 HB ILE A 61 6.049 0.372 1.542 1.00 0.00 H new ATOM 0 HG12 ILE A 61 3.864 -0.558 1.622 1.00 0.00 H new ATOM 0 HG13 ILE A 61 3.675 1.032 2.333 1.00 0.00 H new ATOM 0 HG21 ILE A 61 5.373 2.692 2.103 1.00 0.00 H new ATOM 0 HG22 ILE A 61 6.524 2.662 0.746 1.00 0.00 H new ATOM 0 HG23 ILE A 61 4.791 2.921 0.437 1.00 0.00 H new ATOM 0 HD11 ILE A 61 1.873 0.587 0.692 1.00 0.00 H new ATOM 0 HD12 ILE A 61 2.897 1.935 0.142 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.088 0.319 -0.580 1.00 0.00 H new ATOM 959 N ASP A 62 7.902 0.856 -0.319 1.00 0.00 N ATOM 960 CA ASP A 62 9.219 1.385 -0.694 1.00 0.00 C ATOM 961 C ASP A 62 9.646 0.907 -2.088 1.00 0.00 C ATOM 962 O ASP A 62 10.317 1.636 -2.820 1.00 0.00 O ATOM 963 CB ASP A 62 10.276 0.942 0.323 1.00 0.00 C ATOM 964 CG ASP A 62 9.991 1.592 1.675 1.00 0.00 C ATOM 965 OD1 ASP A 62 9.202 1.036 2.423 1.00 0.00 O ATOM 966 OD2 ASP A 62 10.567 2.634 1.942 1.00 0.00 O ATOM 0 H ASP A 62 7.897 0.319 0.548 1.00 0.00 H new ATOM 0 HA ASP A 62 9.139 2.472 -0.706 1.00 0.00 H new ATOM 0 HB2 ASP A 62 10.268 -0.144 0.421 1.00 0.00 H new ATOM 0 HB3 ASP A 62 11.270 1.223 -0.025 1.00 0.00 H new ATOM 971 N GLU A 63 9.254 -0.323 -2.443 1.00 0.00 N ATOM 972 CA GLU A 63 9.609 -0.889 -3.749 1.00 0.00 C ATOM 973 C GLU A 63 8.990 -0.081 -4.894 1.00 0.00 C ATOM 974 O GLU A 63 9.624 0.122 -5.932 1.00 0.00 O ATOM 975 CB GLU A 63 9.127 -2.340 -3.852 1.00 0.00 C ATOM 976 CG GLU A 63 10.203 -3.277 -3.299 1.00 0.00 C ATOM 977 CD GLU A 63 9.723 -4.722 -3.391 1.00 0.00 C ATOM 978 OE1 GLU A 63 9.888 -5.316 -4.445 1.00 0.00 O ATOM 979 OE2 GLU A 63 9.196 -5.215 -2.406 1.00 0.00 O ATOM 0 H GLU A 63 8.697 -0.939 -1.851 1.00 0.00 H new ATOM 0 HA GLU A 63 10.695 -0.851 -3.835 1.00 0.00 H new ATOM 0 HB2 GLU A 63 8.199 -2.466 -3.295 1.00 0.00 H new ATOM 0 HB3 GLU A 63 8.912 -2.590 -4.891 1.00 0.00 H new ATOM 0 HG2 GLU A 63 11.129 -3.155 -3.861 1.00 0.00 H new ATOM 0 HG3 GLU A 63 10.423 -3.022 -2.262 1.00 0.00 H new ATOM 986 N VAL A 64 7.748 0.370 -4.699 1.00 0.00 N ATOM 987 CA VAL A 64 7.051 1.146 -5.731 1.00 0.00 C ATOM 988 C VAL A 64 6.989 2.641 -5.386 1.00 0.00 C ATOM 989 O VAL A 64 6.283 3.404 -6.052 1.00 0.00 O ATOM 990 CB VAL A 64 5.621 0.627 -5.920 1.00 0.00 C ATOM 991 CG1 VAL A 64 5.650 -0.880 -6.190 1.00 0.00 C ATOM 992 CG2 VAL A 64 4.795 0.907 -4.656 1.00 0.00 C ATOM 0 H VAL A 64 7.209 0.214 -3.847 1.00 0.00 H new ATOM 0 HA VAL A 64 7.621 1.024 -6.652 1.00 0.00 H new ATOM 0 HB VAL A 64 5.165 1.137 -6.768 1.00 0.00 H new ATOM 0 HG11 VAL A 64 4.632 -1.245 -6.324 1.00 0.00 H new ATOM 0 HG12 VAL A 64 6.228 -1.077 -7.093 1.00 0.00 H new ATOM 0 HG13 VAL A 64 6.111 -1.392 -5.346 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.780 0.536 -4.795 1.00 0.00 H new ATOM 0 HG22 VAL A 64 5.251 0.403 -3.804 1.00 0.00 H new ATOM 0 HG23 VAL A 64 4.767 1.981 -4.470 1.00 0.00 H new ATOM 1002 N ASP A 65 7.725 3.060 -4.349 1.00 0.00 N ATOM 1003 CA ASP A 65 7.723 4.467 -3.954 1.00 0.00 C ATOM 1004 C ASP A 65 8.656 5.256 -4.873 1.00 0.00 C ATOM 1005 O ASP A 65 9.817 5.515 -4.545 1.00 0.00 O ATOM 1006 CB ASP A 65 8.167 4.624 -2.492 1.00 0.00 C ATOM 1007 CG ASP A 65 7.288 5.665 -1.794 1.00 0.00 C ATOM 1008 OD1 ASP A 65 7.186 6.773 -2.300 1.00 0.00 O ATOM 1009 OD2 ASP A 65 6.728 5.334 -0.760 1.00 0.00 O ATOM 0 H ASP A 65 8.318 2.455 -3.780 1.00 0.00 H new ATOM 0 HA ASP A 65 6.708 4.855 -4.045 1.00 0.00 H new ATOM 0 HB2 ASP A 65 8.094 3.667 -1.975 1.00 0.00 H new ATOM 0 HB3 ASP A 65 9.212 4.930 -2.450 1.00 0.00 H new ATOM 1014 N GLU A 66 8.123 5.617 -6.043 1.00 0.00 N ATOM 1015 CA GLU A 66 8.889 6.364 -7.047 1.00 0.00 C ATOM 1016 C GLU A 66 9.429 7.679 -6.476 1.00 0.00 C ATOM 1017 O GLU A 66 10.570 8.059 -6.749 1.00 0.00 O ATOM 1018 CB GLU A 66 8.008 6.671 -8.262 1.00 0.00 C ATOM 1019 CG GLU A 66 7.737 5.378 -9.040 1.00 0.00 C ATOM 1020 CD GLU A 66 6.385 5.473 -9.743 1.00 0.00 C ATOM 1021 OE1 GLU A 66 6.357 5.937 -10.872 1.00 0.00 O ATOM 1022 OE2 GLU A 66 5.399 5.077 -9.145 1.00 0.00 O ATOM 0 H GLU A 66 7.164 5.405 -6.319 1.00 0.00 H new ATOM 0 HA GLU A 66 9.732 5.741 -7.346 1.00 0.00 H new ATOM 0 HB2 GLU A 66 7.067 7.117 -7.939 1.00 0.00 H new ATOM 0 HB3 GLU A 66 8.501 7.399 -8.907 1.00 0.00 H new ATOM 0 HG2 GLU A 66 8.527 5.210 -9.772 1.00 0.00 H new ATOM 0 HG3 GLU A 66 7.745 4.525 -8.361 1.00 0.00 H new ATOM 1029 N ASP A 67 8.601 8.371 -5.689 1.00 0.00 N ATOM 1030 CA ASP A 67 9.013 9.647 -5.094 1.00 0.00 C ATOM 1031 C ASP A 67 9.835 9.420 -3.824 1.00 0.00 C ATOM 1032 O ASP A 67 10.882 10.043 -3.632 1.00 0.00 O ATOM 1033 CB ASP A 67 7.790 10.507 -4.738 1.00 0.00 C ATOM 1034 CG ASP A 67 6.801 10.528 -5.902 1.00 0.00 C ATOM 1035 OD1 ASP A 67 7.158 11.041 -6.952 1.00 0.00 O ATOM 1036 OD2 ASP A 67 5.700 10.030 -5.724 1.00 0.00 O ATOM 0 H ASP A 67 7.654 8.076 -5.451 1.00 0.00 H new ATOM 0 HA ASP A 67 9.622 10.165 -5.835 1.00 0.00 H new ATOM 0 HB2 ASP A 67 7.305 10.110 -3.846 1.00 0.00 H new ATOM 0 HB3 ASP A 67 8.107 11.523 -4.503 1.00 0.00 H new ATOM 1041 N GLY A 68 9.338 8.538 -2.952 1.00 0.00 N ATOM 1042 CA GLY A 68 10.019 8.248 -1.688 1.00 0.00 C ATOM 1043 C GLY A 68 9.781 9.382 -0.692 1.00 0.00 C ATOM 1044 O GLY A 68 10.680 9.774 0.054 1.00 0.00 O ATOM 0 H GLY A 68 8.473 8.016 -3.097 1.00 0.00 H new ATOM 0 HA2 GLY A 68 9.652 7.308 -1.275 1.00 0.00 H new ATOM 0 HA3 GLY A 68 11.088 8.124 -1.862 1.00 0.00 H new ATOM 1048 N SER A 69 8.555 9.917 -0.713 1.00 0.00 N ATOM 1049 CA SER A 69 8.180 11.024 0.163 1.00 0.00 C ATOM 1050 C SER A 69 7.511 10.525 1.448 1.00 0.00 C ATOM 1051 O SER A 69 7.877 10.938 2.551 1.00 0.00 O ATOM 1052 CB SER A 69 7.217 11.961 -0.570 1.00 0.00 C ATOM 1053 OG SER A 69 6.190 11.194 -1.196 1.00 0.00 O ATOM 0 H SER A 69 7.807 9.598 -1.329 1.00 0.00 H new ATOM 0 HA SER A 69 9.092 11.556 0.434 1.00 0.00 H new ATOM 0 HB2 SER A 69 6.779 12.671 0.132 1.00 0.00 H new ATOM 0 HB3 SER A 69 7.757 12.543 -1.317 1.00 0.00 H new ATOM 0 HG SER A 69 5.573 11.794 -1.664 1.00 0.00 H new ATOM 1059 N GLY A 70 6.519 9.646 1.290 1.00 0.00 N ATOM 1060 CA GLY A 70 5.786 9.105 2.436 1.00 0.00 C ATOM 1061 C GLY A 70 4.375 8.679 2.026 1.00 0.00 C ATOM 1062 O GLY A 70 3.806 7.747 2.598 1.00 0.00 O ATOM 0 H GLY A 70 6.206 9.295 0.385 1.00 0.00 H new ATOM 0 HA2 GLY A 70 6.324 8.251 2.847 1.00 0.00 H new ATOM 0 HA3 GLY A 70 5.730 9.855 3.225 1.00 0.00 H new ATOM 1066 N THR A 71 3.818 9.370 1.026 1.00 0.00 N ATOM 1067 CA THR A 71 2.477 9.055 0.536 1.00 0.00 C ATOM 1068 C THR A 71 2.566 8.302 -0.791 1.00 0.00 C ATOM 1069 O THR A 71 3.517 8.480 -1.557 1.00 0.00 O ATOM 1070 CB THR A 71 1.658 10.337 0.332 1.00 0.00 C ATOM 1071 OG1 THR A 71 2.249 11.130 -0.693 1.00 0.00 O ATOM 1072 CG2 THR A 71 1.614 11.134 1.640 1.00 0.00 C ATOM 0 H THR A 71 4.273 10.145 0.544 1.00 0.00 H new ATOM 0 HA THR A 71 1.983 8.431 1.281 1.00 0.00 H new ATOM 0 HB THR A 71 0.643 10.070 0.037 1.00 0.00 H new ATOM 0 HG1 THR A 71 1.545 11.575 -1.209 1.00 0.00 H new ATOM 0 HG21 THR A 71 1.032 12.044 1.492 1.00 0.00 H new ATOM 0 HG22 THR A 71 1.150 10.529 2.419 1.00 0.00 H new ATOM 0 HG23 THR A 71 2.628 11.397 1.940 1.00 0.00 H new ATOM 1080 N VAL A 72 1.566 7.463 -1.055 1.00 0.00 N ATOM 1081 CA VAL A 72 1.537 6.686 -2.294 1.00 0.00 C ATOM 1082 C VAL A 72 0.511 7.275 -3.258 1.00 0.00 C ATOM 1083 O VAL A 72 -0.684 7.330 -2.959 1.00 0.00 O ATOM 1084 CB VAL A 72 1.183 5.221 -2.016 1.00 0.00 C ATOM 1085 CG1 VAL A 72 1.382 4.394 -3.289 1.00 0.00 C ATOM 1086 CG2 VAL A 72 2.089 4.671 -0.908 1.00 0.00 C ATOM 0 H VAL A 72 0.772 7.304 -0.435 1.00 0.00 H new ATOM 0 HA VAL A 72 2.531 6.730 -2.740 1.00 0.00 H new ATOM 0 HB VAL A 72 0.142 5.159 -1.699 1.00 0.00 H new ATOM 0 HG11 VAL A 72 1.130 3.353 -3.089 1.00 0.00 H new ATOM 0 HG12 VAL A 72 0.736 4.779 -4.078 1.00 0.00 H new ATOM 0 HG13 VAL A 72 2.422 4.461 -3.607 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.834 3.629 -0.713 1.00 0.00 H new ATOM 0 HG22 VAL A 72 3.130 4.737 -1.223 1.00 0.00 H new ATOM 0 HG23 VAL A 72 1.947 5.255 0.001 1.00 0.00 H new ATOM 1096 N ASP A 73 0.993 7.708 -4.422 1.00 0.00 N ATOM 1097 CA ASP A 73 0.116 8.287 -5.437 1.00 0.00 C ATOM 1098 C ASP A 73 -0.488 7.178 -6.296 1.00 0.00 C ATOM 1099 O ASP A 73 -0.170 6.000 -6.122 1.00 0.00 O ATOM 1100 CB ASP A 73 0.893 9.257 -6.334 1.00 0.00 C ATOM 1101 CG ASP A 73 1.449 10.403 -5.492 1.00 0.00 C ATOM 1102 OD1 ASP A 73 0.671 11.267 -5.112 1.00 0.00 O ATOM 1103 OD2 ASP A 73 2.647 10.403 -5.240 1.00 0.00 O ATOM 0 H ASP A 73 1.978 7.669 -4.684 1.00 0.00 H new ATOM 0 HA ASP A 73 -0.679 8.834 -4.931 1.00 0.00 H new ATOM 0 HB2 ASP A 73 1.707 8.732 -6.834 1.00 0.00 H new ATOM 0 HB3 ASP A 73 0.240 9.649 -7.114 1.00 0.00 H new ATOM 1108 N PHE A 74 -1.364 7.564 -7.224 1.00 0.00 N ATOM 1109 CA PHE A 74 -2.007 6.586 -8.104 1.00 0.00 C ATOM 1110 C PHE A 74 -0.970 5.888 -8.990 1.00 0.00 C ATOM 1111 O PHE A 74 -1.099 4.702 -9.291 1.00 0.00 O ATOM 1112 CB PHE A 74 -3.062 7.264 -8.985 1.00 0.00 C ATOM 1113 CG PHE A 74 -4.048 6.238 -9.497 1.00 0.00 C ATOM 1114 CD1 PHE A 74 -4.505 5.211 -8.658 1.00 0.00 C ATOM 1115 CD2 PHE A 74 -4.509 6.317 -10.814 1.00 0.00 C ATOM 1116 CE1 PHE A 74 -5.418 4.269 -9.138 1.00 0.00 C ATOM 1117 CE2 PHE A 74 -5.425 5.373 -11.295 1.00 0.00 C ATOM 1118 CZ PHE A 74 -5.879 4.349 -10.457 1.00 0.00 C ATOM 0 H PHE A 74 -1.642 8.532 -7.385 1.00 0.00 H new ATOM 0 HA PHE A 74 -2.494 5.840 -7.475 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -3.586 8.030 -8.414 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -2.579 7.766 -9.823 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -4.151 5.148 -7.640 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -4.158 7.107 -11.462 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -5.768 3.479 -8.491 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -5.781 5.436 -12.313 1.00 0.00 H new ATOM 0 HZ PHE A 74 -6.585 3.621 -10.828 1.00 0.00 H new ATOM 1128 N ASP A 75 0.070 6.633 -9.385 1.00 0.00 N ATOM 1129 CA ASP A 75 1.136 6.072 -10.219 1.00 0.00 C ATOM 1130 C ASP A 75 1.916 5.016 -9.436 1.00 0.00 C ATOM 1131 O ASP A 75 2.249 3.957 -9.966 1.00 0.00 O ATOM 1132 CB ASP A 75 2.101 7.171 -10.671 1.00 0.00 C ATOM 1133 CG ASP A 75 1.641 7.735 -12.012 1.00 0.00 C ATOM 1134 OD1 ASP A 75 0.785 8.606 -12.003 1.00 0.00 O ATOM 1135 OD2 ASP A 75 2.150 7.287 -13.027 1.00 0.00 O ATOM 0 H ASP A 75 0.194 7.616 -9.143 1.00 0.00 H new ATOM 0 HA ASP A 75 0.676 5.615 -11.095 1.00 0.00 H new ATOM 0 HB2 ASP A 75 2.140 7.965 -9.925 1.00 0.00 H new ATOM 0 HB3 ASP A 75 3.110 6.769 -10.761 1.00 0.00 H new ATOM 1140 N GLU A 76 2.181 5.318 -8.160 1.00 0.00 N ATOM 1141 CA GLU A 76 2.907 4.393 -7.282 1.00 0.00 C ATOM 1142 C GLU A 76 1.990 3.241 -6.849 1.00 0.00 C ATOM 1143 O GLU A 76 2.457 2.168 -6.465 1.00 0.00 O ATOM 1144 CB GLU A 76 3.418 5.121 -6.029 1.00 0.00 C ATOM 1145 CG GLU A 76 3.938 6.515 -6.404 1.00 0.00 C ATOM 1146 CD GLU A 76 4.596 7.168 -5.189 1.00 0.00 C ATOM 1147 OE1 GLU A 76 3.886 7.782 -4.414 1.00 0.00 O ATOM 1148 OE2 GLU A 76 5.802 7.051 -5.054 1.00 0.00 O ATOM 0 H GLU A 76 1.905 6.192 -7.713 1.00 0.00 H new ATOM 0 HA GLU A 76 3.756 3.998 -7.840 1.00 0.00 H new ATOM 0 HB2 GLU A 76 2.615 5.209 -5.297 1.00 0.00 H new ATOM 0 HB3 GLU A 76 4.214 4.541 -5.561 1.00 0.00 H new ATOM 0 HG2 GLU A 76 4.657 6.437 -7.220 1.00 0.00 H new ATOM 0 HG3 GLU A 76 3.116 7.136 -6.761 1.00 0.00 H new ATOM 1155 N PHE A 77 0.678 3.487 -6.914 1.00 0.00 N ATOM 1156 CA PHE A 77 -0.320 2.487 -6.533 1.00 0.00 C ATOM 1157 C PHE A 77 -0.498 1.437 -7.637 1.00 0.00 C ATOM 1158 O PHE A 77 -0.582 0.240 -7.359 1.00 0.00 O ATOM 1159 CB PHE A 77 -1.665 3.182 -6.267 1.00 0.00 C ATOM 1160 CG PHE A 77 -2.706 2.180 -5.823 1.00 0.00 C ATOM 1161 CD1 PHE A 77 -2.643 1.622 -4.540 1.00 0.00 C ATOM 1162 CD2 PHE A 77 -3.740 1.816 -6.694 1.00 0.00 C ATOM 1163 CE1 PHE A 77 -3.613 0.701 -4.129 1.00 0.00 C ATOM 1164 CE2 PHE A 77 -4.709 0.894 -6.283 1.00 0.00 C ATOM 1165 CZ PHE A 77 -4.646 0.337 -5.000 1.00 0.00 C ATOM 0 H PHE A 77 0.283 4.373 -7.228 1.00 0.00 H new ATOM 0 HA PHE A 77 0.026 1.983 -5.631 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -1.539 3.947 -5.501 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -2.003 3.689 -7.171 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -1.846 1.903 -3.868 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -3.790 2.247 -7.683 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -3.564 0.271 -3.139 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -5.506 0.612 -6.956 1.00 0.00 H new ATOM 0 HZ PHE A 77 -5.395 -0.374 -4.683 1.00 0.00 H new ATOM 1175 N LEU A 78 -0.574 1.904 -8.888 1.00 0.00 N ATOM 1176 CA LEU A 78 -0.765 1.006 -10.030 1.00 0.00 C ATOM 1177 C LEU A 78 0.500 0.207 -10.361 1.00 0.00 C ATOM 1178 O LEU A 78 0.413 -0.944 -10.798 1.00 0.00 O ATOM 1179 CB LEU A 78 -1.173 1.809 -11.262 1.00 0.00 C ATOM 1180 CG LEU A 78 -2.551 2.467 -11.177 1.00 0.00 C ATOM 1181 CD1 LEU A 78 -2.519 3.804 -11.914 1.00 0.00 C ATOM 1182 CD2 LEU A 78 -3.596 1.550 -11.815 1.00 0.00 C ATOM 0 H LEU A 78 -0.507 2.892 -9.134 1.00 0.00 H new ATOM 0 HA LEU A 78 -1.550 0.302 -9.752 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -0.427 2.584 -11.435 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -1.155 1.149 -12.130 1.00 0.00 H new ATOM 0 HG LEU A 78 -2.812 2.636 -10.132 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -3.500 4.275 -11.855 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -1.775 4.455 -11.454 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -2.259 3.637 -12.959 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -4.578 2.020 -11.754 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -3.340 1.379 -12.861 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -3.616 0.597 -11.286 1.00 0.00 H new ATOM 1194 N VAL A 79 1.674 0.821 -10.162 1.00 0.00 N ATOM 1195 CA VAL A 79 2.943 0.140 -10.462 1.00 0.00 C ATOM 1196 C VAL A 79 3.101 -1.137 -9.632 1.00 0.00 C ATOM 1197 O VAL A 79 3.759 -2.080 -10.060 1.00 0.00 O ATOM 1198 CB VAL A 79 4.157 1.046 -10.208 1.00 0.00 C ATOM 1199 CG1 VAL A 79 4.222 2.135 -11.282 1.00 0.00 C ATOM 1200 CG2 VAL A 79 4.056 1.694 -8.826 1.00 0.00 C ATOM 0 H VAL A 79 1.773 1.770 -9.802 1.00 0.00 H new ATOM 0 HA VAL A 79 2.907 -0.114 -11.521 1.00 0.00 H new ATOM 0 HB VAL A 79 5.062 0.440 -10.249 1.00 0.00 H new ATOM 0 HG11 VAL A 79 5.084 2.776 -11.099 1.00 0.00 H new ATOM 0 HG12 VAL A 79 4.316 1.672 -12.264 1.00 0.00 H new ATOM 0 HG13 VAL A 79 3.312 2.734 -11.249 1.00 0.00 H new ATOM 0 HG21 VAL A 79 4.923 2.333 -8.660 1.00 0.00 H new ATOM 0 HG22 VAL A 79 3.147 2.293 -8.771 1.00 0.00 H new ATOM 0 HG23 VAL A 79 4.026 0.918 -8.061 1.00 0.00 H new ATOM 1210 N MET A 80 2.492 -1.155 -8.443 1.00 0.00 N ATOM 1211 CA MET A 80 2.568 -2.326 -7.558 1.00 0.00 C ATOM 1212 C MET A 80 2.261 -3.627 -8.312 1.00 0.00 C ATOM 1213 O MET A 80 2.897 -4.655 -8.073 1.00 0.00 O ATOM 1214 CB MET A 80 1.574 -2.176 -6.403 1.00 0.00 C ATOM 1215 CG MET A 80 2.269 -1.525 -5.206 1.00 0.00 C ATOM 1216 SD MET A 80 1.084 -1.333 -3.851 1.00 0.00 S ATOM 1217 CE MET A 80 1.273 0.453 -3.628 1.00 0.00 C ATOM 0 H MET A 80 1.944 -0.379 -8.071 1.00 0.00 H new ATOM 0 HA MET A 80 3.587 -2.379 -7.174 1.00 0.00 H new ATOM 0 HB2 MET A 80 0.725 -1.569 -6.717 1.00 0.00 H new ATOM 0 HB3 MET A 80 1.180 -3.152 -6.120 1.00 0.00 H new ATOM 0 HG2 MET A 80 3.111 -2.138 -4.883 1.00 0.00 H new ATOM 0 HG3 MET A 80 2.673 -0.553 -5.491 1.00 0.00 H new ATOM 0 HE1 MET A 80 0.326 0.881 -3.300 1.00 0.00 H new ATOM 0 HE2 MET A 80 2.038 0.647 -2.876 1.00 0.00 H new ATOM 0 HE3 MET A 80 1.569 0.908 -4.573 1.00 0.00 H new ATOM 1227 N MET A 81 1.279 -3.571 -9.220 1.00 0.00 N ATOM 1228 CA MET A 81 0.892 -4.752 -9.999 1.00 0.00 C ATOM 1229 C MET A 81 1.953 -5.097 -11.049 1.00 0.00 C ATOM 1230 O MET A 81 2.456 -6.220 -11.090 1.00 0.00 O ATOM 1231 CB MET A 81 -0.446 -4.513 -10.708 1.00 0.00 C ATOM 1232 CG MET A 81 -1.599 -4.879 -9.770 1.00 0.00 C ATOM 1233 SD MET A 81 -1.810 -6.678 -9.741 1.00 0.00 S ATOM 1234 CE MET A 81 -1.296 -6.943 -8.026 1.00 0.00 C ATOM 0 H MET A 81 0.743 -2.729 -9.432 1.00 0.00 H new ATOM 0 HA MET A 81 0.797 -5.584 -9.302 1.00 0.00 H new ATOM 0 HB2 MET A 81 -0.527 -3.469 -11.010 1.00 0.00 H new ATOM 0 HB3 MET A 81 -0.499 -5.113 -11.617 1.00 0.00 H new ATOM 0 HG2 MET A 81 -1.395 -4.510 -8.765 1.00 0.00 H new ATOM 0 HG3 MET A 81 -2.519 -4.400 -10.104 1.00 0.00 H new ATOM 0 HE1 MET A 81 -1.868 -7.767 -7.598 1.00 0.00 H new ATOM 0 HE2 MET A 81 -0.234 -7.185 -7.998 1.00 0.00 H new ATOM 0 HE3 MET A 81 -1.477 -6.037 -7.448 1.00 0.00 H new ATOM 1244 N VAL A 82 2.273 -4.119 -11.904 1.00 0.00 N ATOM 1245 CA VAL A 82 3.267 -4.325 -12.971 1.00 0.00 C ATOM 1246 C VAL A 82 4.649 -4.677 -12.403 1.00 0.00 C ATOM 1247 O VAL A 82 5.378 -5.474 -12.993 1.00 0.00 O ATOM 1248 CB VAL A 82 3.395 -3.074 -13.855 1.00 0.00 C ATOM 1249 CG1 VAL A 82 2.103 -2.861 -14.647 1.00 0.00 C ATOM 1250 CG2 VAL A 82 3.664 -1.845 -12.983 1.00 0.00 C ATOM 0 H VAL A 82 1.864 -3.185 -11.881 1.00 0.00 H new ATOM 0 HA VAL A 82 2.910 -5.162 -13.571 1.00 0.00 H new ATOM 0 HB VAL A 82 4.225 -3.216 -14.547 1.00 0.00 H new ATOM 0 HG11 VAL A 82 2.201 -1.973 -15.271 1.00 0.00 H new ATOM 0 HG12 VAL A 82 1.916 -3.729 -15.279 1.00 0.00 H new ATOM 0 HG13 VAL A 82 1.270 -2.729 -13.956 1.00 0.00 H new ATOM 0 HG21 VAL A 82 3.754 -0.962 -13.616 1.00 0.00 H new ATOM 0 HG22 VAL A 82 2.839 -1.708 -12.283 1.00 0.00 H new ATOM 0 HG23 VAL A 82 4.591 -1.989 -12.428 1.00 0.00 H new ATOM 1260 N ARG A 83 5.002 -4.077 -11.260 1.00 0.00 N ATOM 1261 CA ARG A 83 6.303 -4.334 -10.626 1.00 0.00 C ATOM 1262 C ARG A 83 6.506 -5.827 -10.346 1.00 0.00 C ATOM 1263 O ARG A 83 7.637 -6.317 -10.325 1.00 0.00 O ATOM 1264 CB ARG A 83 6.414 -3.570 -9.302 1.00 0.00 C ATOM 1265 CG ARG A 83 6.628 -2.078 -9.583 1.00 0.00 C ATOM 1266 CD ARG A 83 8.125 -1.782 -9.706 1.00 0.00 C ATOM 1267 NE ARG A 83 8.821 -2.052 -8.443 1.00 0.00 N ATOM 1268 CZ ARG A 83 10.155 -2.166 -8.385 1.00 0.00 C ATOM 1269 NH1 ARG A 83 10.892 -2.002 -9.459 1.00 0.00 N ATOM 1270 NH2 ARG A 83 10.731 -2.434 -7.241 1.00 0.00 N ATOM 0 H ARG A 83 4.411 -3.415 -10.757 1.00 0.00 H new ATOM 0 HA ARG A 83 7.071 -3.994 -11.321 1.00 0.00 H new ATOM 0 HB2 ARG A 83 5.509 -3.713 -8.712 1.00 0.00 H new ATOM 0 HB3 ARG A 83 7.244 -3.962 -8.713 1.00 0.00 H new ATOM 0 HG2 ARG A 83 6.115 -1.795 -10.502 1.00 0.00 H new ATOM 0 HG3 ARG A 83 6.195 -1.482 -8.780 1.00 0.00 H new ATOM 0 HD2 ARG A 83 8.556 -2.392 -10.500 1.00 0.00 H new ATOM 0 HD3 ARG A 83 8.271 -0.740 -9.990 1.00 0.00 H new ATOM 0 HE ARG A 83 8.276 -2.156 -7.587 1.00 0.00 H new ATOM 0 HH11 ARG A 83 10.450 -1.785 -10.352 1.00 0.00 H new ATOM 0 HH12 ARG A 83 11.906 -2.092 -9.400 1.00 0.00 H new ATOM 0 HH21 ARG A 83 10.165 -2.555 -6.401 1.00 0.00 H new ATOM 0 HH22 ARG A 83 11.746 -2.522 -7.189 1.00 0.00 H new ATOM 1284 N CYS A 84 5.396 -6.543 -10.131 1.00 0.00 N ATOM 1285 CA CYS A 84 5.454 -7.982 -9.851 1.00 0.00 C ATOM 1286 C CYS A 84 5.949 -8.787 -11.063 1.00 0.00 C ATOM 1287 O CYS A 84 6.304 -9.959 -10.925 1.00 0.00 O ATOM 1288 CB CYS A 84 4.070 -8.500 -9.454 1.00 0.00 C ATOM 1289 SG CYS A 84 3.651 -7.908 -7.795 1.00 0.00 S ATOM 0 H CYS A 84 4.454 -6.153 -10.145 1.00 0.00 H new ATOM 0 HA CYS A 84 6.161 -8.117 -9.032 1.00 0.00 H new ATOM 0 HB2 CYS A 84 3.324 -8.159 -10.172 1.00 0.00 H new ATOM 0 HB3 CYS A 84 4.059 -9.590 -9.476 1.00 0.00 H new ATOM 0 HG CYS A 84 3.351 -6.644 -7.848 1.00 0.00 H new