USER MOD reduce.3.24.130724 H: found=0, std=0, add=679, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 677 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 84 HIS : no HD1:sc= 0.351 K(o=0.61,f=-4.3!) USER MOD Set 1.2: A 86 THR OG1 : rot -90:sc= 0.258 USER MOD Set 2.1: A 20 SER OG : rot -41:sc= 0.685 USER MOD Set 2.2: A 71 THR OG1 : rot 180:sc= 0.614 USER MOD Single : A 4 THR OG1 : rot 20:sc= 0.365 USER MOD Single : A 6 LYS NZ :NH3+ -128:sc= -0.871 (180deg=-2.86!) USER MOD Single : A 8 GLN : amide:sc= -0.32 K(o=-0.32,f=-0.85) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0.0959 USER MOD Single : A 13 HIS : no HD1:sc= -0.762 X(o=-0.76,f=-0.78) USER MOD Single : A 17 ASN : amide:sc= -3.57! C(o=-3.6!,f=-6.8!) USER MOD Single : A 19 LYS NZ :NH3+ -170:sc= -0.0549 (180deg=-0.269) USER MOD Single : A 21 ASN :FLIP amide:sc= -0.83 F(o=-2!,f=-0.83) USER MOD Single : A 24 ASN : amide:sc= -1.83! C(o=-1.8!,f=-2!) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 62:sc= 1.32 USER MOD Single : A 31 HIS : no HD1:sc= 0 X(o=0,f=-0.024) USER MOD Single : A 33 SER OG : rot -3:sc= 0.298 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -0.056 X(o=-0.056,f=-0.0064) USER MOD Single : A 48 LYS NZ :NH3+ 168:sc= 0.602 (180deg=0.37) USER MOD Single : A 51 HIS : no HD1:sc= -0.0865 X(o=-0.086,f=-0.031) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 180:sc= -0.658 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot -18:sc= 0.132 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 TYR OH : rot 89:sc= -0.979! USER MOD Single : A 83 ASN : amide:sc= -1.37 K(o=-1.4,f=-3.7!) USER MOD Single : A 88 SER OG : rot -12:sc= 1.11 USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 91 LYS NZ :NH3+ 161:sc= -0.0999 (180deg=-0.406) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 36 N ARG A 3 -17.360 -5.015 -4.086 1.00 0.00 N ATOM 37 CA ARG A 3 -16.485 -4.629 -5.186 1.00 0.00 C ATOM 38 C ARG A 3 -15.028 -4.889 -4.819 1.00 0.00 C ATOM 39 O ARG A 3 -14.622 -4.665 -3.678 1.00 0.00 O ATOM 40 CB ARG A 3 -16.715 -3.151 -5.536 1.00 0.00 C ATOM 41 CG ARG A 3 -15.698 -2.559 -6.524 1.00 0.00 C ATOM 42 CD ARG A 3 -16.206 -1.265 -7.162 1.00 0.00 C ATOM 43 NE ARG A 3 -16.559 -0.277 -6.144 1.00 0.00 N ATOM 44 CZ ARG A 3 -17.384 0.751 -6.334 1.00 0.00 C ATOM 45 NH1 ARG A 3 -17.908 0.990 -7.531 1.00 0.00 N ATOM 46 NH2 ARG A 3 -17.666 1.557 -5.321 1.00 0.00 N ATOM 0 HA ARG A 3 -16.720 -5.231 -6.064 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -17.715 -3.043 -5.956 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -16.691 -2.566 -4.617 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -14.760 -2.363 -6.005 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -15.484 -3.289 -7.305 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -15.439 -0.855 -7.820 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -17.077 -1.479 -7.782 1.00 0.00 H new ATOM 0 HE ARG A 3 -16.142 -0.383 -5.219 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -17.680 0.383 -8.318 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -18.539 1.781 -7.663 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -17.252 1.388 -4.404 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -18.297 2.347 -5.458 1.00 0.00 H new ATOM 60 N THR A 4 -14.258 -5.377 -5.786 1.00 0.00 N ATOM 61 CA THR A 4 -12.874 -5.762 -5.549 1.00 0.00 C ATOM 62 C THR A 4 -11.981 -4.534 -5.354 1.00 0.00 C ATOM 63 O THR A 4 -11.926 -3.653 -6.216 1.00 0.00 O ATOM 64 CB THR A 4 -12.315 -6.620 -6.711 1.00 0.00 C ATOM 65 OG1 THR A 4 -12.225 -5.846 -7.915 1.00 0.00 O ATOM 66 CG2 THR A 4 -13.194 -7.835 -6.969 1.00 0.00 C ATOM 0 H THR A 4 -14.573 -5.515 -6.746 1.00 0.00 H new ATOM 0 HA THR A 4 -12.867 -6.358 -4.636 1.00 0.00 H new ATOM 0 HB THR A 4 -11.320 -6.955 -6.417 1.00 0.00 H new ATOM 0 HG1 THR A 4 -12.231 -4.892 -7.692 1.00 0.00 H new ATOM 0 HG21 THR A 4 -12.777 -8.418 -7.790 1.00 0.00 H new ATOM 0 HG22 THR A 4 -13.236 -8.451 -6.071 1.00 0.00 H new ATOM 0 HG23 THR A 4 -14.200 -7.507 -7.231 1.00 0.00 H new ATOM 74 N PRO A 5 -11.295 -4.436 -4.202 1.00 0.00 N ATOM 75 CA PRO A 5 -10.305 -3.393 -3.970 1.00 0.00 C ATOM 76 C PRO A 5 -9.024 -3.685 -4.745 1.00 0.00 C ATOM 77 O PRO A 5 -8.420 -4.750 -4.593 1.00 0.00 O ATOM 78 CB PRO A 5 -10.046 -3.437 -2.455 1.00 0.00 C ATOM 79 CG PRO A 5 -10.989 -4.459 -1.893 1.00 0.00 C ATOM 80 CD PRO A 5 -11.433 -5.321 -3.045 1.00 0.00 C ATOM 0 HA PRO A 5 -10.649 -2.414 -4.303 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -9.011 -3.707 -2.246 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -10.218 -2.460 -2.003 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -10.497 -5.060 -1.128 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -11.844 -3.977 -1.419 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -10.812 -6.211 -3.144 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -12.461 -5.661 -2.920 1.00 0.00 H new ATOM 88 N LYS A 6 -8.611 -2.738 -5.570 1.00 0.00 N ATOM 89 CA LYS A 6 -7.458 -2.932 -6.435 1.00 0.00 C ATOM 90 C LYS A 6 -6.225 -2.265 -5.834 1.00 0.00 C ATOM 91 O LYS A 6 -6.339 -1.267 -5.119 1.00 0.00 O ATOM 92 CB LYS A 6 -7.763 -2.368 -7.828 1.00 0.00 C ATOM 93 CG LYS A 6 -6.617 -2.481 -8.821 1.00 0.00 C ATOM 94 CD LYS A 6 -6.963 -1.870 -10.175 1.00 0.00 C ATOM 95 CE LYS A 6 -7.188 -0.363 -10.092 1.00 0.00 C ATOM 96 NZ LYS A 6 -8.574 -0.008 -9.679 1.00 0.00 N ATOM 0 H LYS A 6 -9.057 -1.825 -5.660 1.00 0.00 H new ATOM 0 HA LYS A 6 -7.250 -3.998 -6.526 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -8.631 -2.888 -8.234 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -8.038 -1.318 -7.728 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -5.736 -1.983 -8.415 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -6.357 -3.531 -8.954 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -6.158 -2.076 -10.880 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -7.861 -2.348 -10.568 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -6.481 0.067 -9.382 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -6.977 0.085 -11.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -8.976 0.669 -10.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -9.160 -0.867 -9.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -8.555 0.422 -8.732 1.00 0.00 H new ATOM 110 N ILE A 7 -5.054 -2.808 -6.144 1.00 0.00 N ATOM 111 CA ILE A 7 -3.819 -2.401 -5.485 1.00 0.00 C ATOM 112 C ILE A 7 -3.066 -1.368 -6.303 1.00 0.00 C ATOM 113 O ILE A 7 -2.787 -1.583 -7.481 1.00 0.00 O ATOM 114 CB ILE A 7 -2.869 -3.596 -5.274 1.00 0.00 C ATOM 115 CG1 ILE A 7 -3.652 -4.860 -4.927 1.00 0.00 C ATOM 116 CG2 ILE A 7 -1.854 -3.279 -4.184 1.00 0.00 C ATOM 117 CD1 ILE A 7 -4.559 -4.702 -3.736 1.00 0.00 C ATOM 0 H ILE A 7 -4.934 -3.534 -6.850 1.00 0.00 H new ATOM 0 HA ILE A 7 -4.117 -1.981 -4.525 1.00 0.00 H new ATOM 0 HB ILE A 7 -2.334 -3.776 -6.206 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -4.248 -5.156 -5.790 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -2.949 -5.670 -4.732 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -1.190 -4.132 -4.046 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -1.269 -2.407 -4.475 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -2.376 -3.071 -3.250 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -5.082 -5.640 -3.550 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -3.967 -4.437 -2.860 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -5.286 -3.914 -3.934 1.00 0.00 H new ATOM 129 N GLN A 8 -2.741 -0.250 -5.675 1.00 0.00 N ATOM 130 CA GLN A 8 -1.840 0.717 -6.273 1.00 0.00 C ATOM 131 C GLN A 8 -0.772 1.120 -5.262 1.00 0.00 C ATOM 132 O GLN A 8 -1.077 1.662 -4.201 1.00 0.00 O ATOM 133 CB GLN A 8 -2.608 1.942 -6.774 1.00 0.00 C ATOM 134 CG GLN A 8 -3.483 1.641 -7.989 1.00 0.00 C ATOM 135 CD GLN A 8 -2.674 1.164 -9.182 1.00 0.00 C ATOM 136 OE1 GLN A 8 -1.523 1.554 -9.369 1.00 0.00 O ATOM 137 NE2 GLN A 8 -3.267 0.299 -9.992 1.00 0.00 N ATOM 0 H GLN A 8 -3.088 0.009 -4.752 1.00 0.00 H new ATOM 0 HA GLN A 8 -1.353 0.258 -7.134 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -3.234 2.326 -5.969 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -1.899 2.729 -7.030 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -4.218 0.881 -7.725 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -4.038 2.538 -8.265 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -4.223 -0.002 -9.805 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -2.767 -0.066 -10.803 1.00 0.00 H new ATOM 146 N VAL A 9 0.479 0.844 -5.592 1.00 0.00 N ATOM 147 CA VAL A 9 1.593 1.129 -4.698 1.00 0.00 C ATOM 148 C VAL A 9 2.733 1.779 -5.464 1.00 0.00 C ATOM 149 O VAL A 9 3.144 1.296 -6.520 1.00 0.00 O ATOM 150 CB VAL A 9 2.087 -0.153 -3.959 1.00 0.00 C ATOM 151 CG1 VAL A 9 2.082 -1.361 -4.881 1.00 0.00 C ATOM 152 CG2 VAL A 9 3.481 0.049 -3.367 1.00 0.00 C ATOM 0 H VAL A 9 0.751 0.420 -6.479 1.00 0.00 H new ATOM 0 HA VAL A 9 1.237 1.825 -3.938 1.00 0.00 H new ATOM 0 HB VAL A 9 1.389 -0.340 -3.143 1.00 0.00 H new ATOM 0 HG11 VAL A 9 2.432 -2.237 -4.335 1.00 0.00 H new ATOM 0 HG12 VAL A 9 1.069 -1.539 -5.242 1.00 0.00 H new ATOM 0 HG13 VAL A 9 2.742 -1.175 -5.728 1.00 0.00 H new ATOM 0 HG21 VAL A 9 3.796 -0.862 -2.859 1.00 0.00 H new ATOM 0 HG22 VAL A 9 4.185 0.281 -4.166 1.00 0.00 H new ATOM 0 HG23 VAL A 9 3.457 0.873 -2.653 1.00 0.00 H new ATOM 162 N TYR A 10 3.222 2.890 -4.932 1.00 0.00 N ATOM 163 CA TYR A 10 4.292 3.642 -5.560 1.00 0.00 C ATOM 164 C TYR A 10 4.981 4.522 -4.525 1.00 0.00 C ATOM 165 O TYR A 10 4.473 4.699 -3.420 1.00 0.00 O ATOM 166 CB TYR A 10 3.759 4.488 -6.735 1.00 0.00 C ATOM 167 CG TYR A 10 2.653 5.466 -6.385 1.00 0.00 C ATOM 168 CD1 TYR A 10 1.324 5.157 -6.643 1.00 0.00 C ATOM 169 CD2 TYR A 10 2.940 6.704 -5.822 1.00 0.00 C ATOM 170 CE1 TYR A 10 0.314 6.052 -6.351 1.00 0.00 C ATOM 171 CE2 TYR A 10 1.934 7.603 -5.523 1.00 0.00 C ATOM 172 CZ TYR A 10 0.623 7.272 -5.792 1.00 0.00 C ATOM 173 OH TYR A 10 -0.384 8.166 -5.501 1.00 0.00 O ATOM 0 H TYR A 10 2.888 3.292 -4.056 1.00 0.00 H new ATOM 0 HA TYR A 10 5.021 2.940 -5.965 1.00 0.00 H new ATOM 0 HB2 TYR A 10 4.591 5.046 -7.165 1.00 0.00 H new ATOM 0 HB3 TYR A 10 3.393 3.814 -7.509 1.00 0.00 H new ATOM 0 HD1 TYR A 10 1.076 4.201 -7.079 1.00 0.00 H new ATOM 0 HD2 TYR A 10 3.967 6.968 -5.615 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -0.714 5.796 -6.560 1.00 0.00 H new ATOM 0 HE2 TYR A 10 2.173 8.559 -5.081 1.00 0.00 H new ATOM 0 HH TYR A 10 0.002 8.978 -5.111 1.00 0.00 H new ATOM 183 N SER A 11 6.140 5.048 -4.879 1.00 0.00 N ATOM 184 CA SER A 11 6.899 5.910 -3.984 1.00 0.00 C ATOM 185 C SER A 11 6.234 7.284 -3.889 1.00 0.00 C ATOM 186 O SER A 11 5.878 7.880 -4.909 1.00 0.00 O ATOM 187 CB SER A 11 8.336 6.026 -4.527 1.00 0.00 C ATOM 188 OG SER A 11 8.332 6.028 -5.944 1.00 0.00 O ATOM 0 H SER A 11 6.580 4.893 -5.786 1.00 0.00 H new ATOM 0 HA SER A 11 6.925 5.487 -2.980 1.00 0.00 H new ATOM 0 HB2 SER A 11 8.798 6.941 -4.157 1.00 0.00 H new ATOM 0 HB3 SER A 11 8.938 5.195 -4.160 1.00 0.00 H new ATOM 0 HG SER A 11 9.252 6.104 -6.274 1.00 0.00 H new ATOM 194 N ARG A 12 6.049 7.772 -2.653 1.00 0.00 N ATOM 195 CA ARG A 12 5.368 9.054 -2.424 1.00 0.00 C ATOM 196 C ARG A 12 6.139 10.173 -3.123 1.00 0.00 C ATOM 197 O ARG A 12 5.555 11.046 -3.756 1.00 0.00 O ATOM 198 CB ARG A 12 5.277 9.313 -0.903 1.00 0.00 C ATOM 199 CG ARG A 12 4.311 10.409 -0.438 1.00 0.00 C ATOM 200 CD ARG A 12 4.779 11.802 -0.828 1.00 0.00 C ATOM 201 NE ARG A 12 6.135 12.093 -0.356 1.00 0.00 N ATOM 202 CZ ARG A 12 6.421 12.672 0.813 1.00 0.00 C ATOM 203 NH1 ARG A 12 5.457 12.964 1.680 1.00 0.00 N ATOM 204 NH2 ARG A 12 7.681 12.968 1.105 1.00 0.00 N ATOM 0 H ARG A 12 6.359 7.302 -1.803 1.00 0.00 H new ATOM 0 HA ARG A 12 4.359 9.023 -2.836 1.00 0.00 H new ATOM 0 HB2 ARG A 12 4.989 8.380 -0.418 1.00 0.00 H new ATOM 0 HB3 ARG A 12 6.274 9.566 -0.543 1.00 0.00 H new ATOM 0 HG2 ARG A 12 3.326 10.227 -0.868 1.00 0.00 H new ATOM 0 HG3 ARG A 12 4.201 10.356 0.645 1.00 0.00 H new ATOM 0 HD2 ARG A 12 4.747 11.902 -1.913 1.00 0.00 H new ATOM 0 HD3 ARG A 12 4.090 12.541 -0.419 1.00 0.00 H new ATOM 0 HE ARG A 12 6.914 11.836 -0.962 1.00 0.00 H new ATOM 0 HH11 ARG A 12 4.486 12.746 1.456 1.00 0.00 H new ATOM 0 HH12 ARG A 12 5.688 13.406 2.570 1.00 0.00 H new ATOM 0 HH21 ARG A 12 8.423 12.753 0.439 1.00 0.00 H new ATOM 0 HH22 ARG A 12 7.908 13.410 1.996 1.00 0.00 H new ATOM 218 N HIS A 13 7.452 10.124 -2.982 1.00 0.00 N ATOM 219 CA HIS A 13 8.358 11.020 -3.695 1.00 0.00 C ATOM 220 C HIS A 13 9.471 10.178 -4.334 1.00 0.00 C ATOM 221 O HIS A 13 9.461 8.961 -4.150 1.00 0.00 O ATOM 222 CB HIS A 13 8.945 12.076 -2.743 1.00 0.00 C ATOM 223 CG HIS A 13 8.095 13.303 -2.583 1.00 0.00 C ATOM 224 ND1 HIS A 13 8.401 14.262 -1.648 1.00 0.00 N ATOM 225 CD2 HIS A 13 6.972 13.678 -3.247 1.00 0.00 C ATOM 226 CE1 HIS A 13 7.464 15.190 -1.762 1.00 0.00 C ATOM 227 NE2 HIS A 13 6.577 14.877 -2.716 1.00 0.00 N ATOM 0 H HIS A 13 7.926 9.461 -2.369 1.00 0.00 H new ATOM 0 HA HIS A 13 7.811 11.555 -4.472 1.00 0.00 H new ATOM 0 HB2 HIS A 13 9.095 11.622 -1.764 1.00 0.00 H new ATOM 0 HB3 HIS A 13 9.927 12.374 -3.110 1.00 0.00 H new ATOM 0 HD2 HIS A 13 6.483 13.135 -4.042 1.00 0.00 H new ATOM 0 HE1 HIS A 13 7.420 16.087 -1.162 1.00 0.00 H new ATOM 0 HE2 HIS A 13 5.764 15.426 -2.994 1.00 0.00 H new ATOM 235 N PRO A 14 10.434 10.768 -5.091 1.00 0.00 N ATOM 236 CA PRO A 14 11.526 9.990 -5.699 1.00 0.00 C ATOM 237 C PRO A 14 12.250 9.109 -4.681 1.00 0.00 C ATOM 238 O PRO A 14 12.468 9.511 -3.538 1.00 0.00 O ATOM 239 CB PRO A 14 12.488 11.047 -6.267 1.00 0.00 C ATOM 240 CG PRO A 14 12.010 12.374 -5.734 1.00 0.00 C ATOM 241 CD PRO A 14 10.540 12.198 -5.437 1.00 0.00 C ATOM 0 HA PRO A 14 11.144 9.307 -6.457 1.00 0.00 H new ATOM 0 HB2 PRO A 14 13.514 10.848 -5.956 1.00 0.00 H new ATOM 0 HB3 PRO A 14 12.478 11.038 -7.357 1.00 0.00 H new ATOM 0 HG2 PRO A 14 12.559 12.654 -4.835 1.00 0.00 H new ATOM 0 HG3 PRO A 14 12.168 13.168 -6.464 1.00 0.00 H new ATOM 0 HD2 PRO A 14 10.216 12.836 -4.615 1.00 0.00 H new ATOM 0 HD3 PRO A 14 9.922 12.451 -6.299 1.00 0.00 H new ATOM 249 N ALA A 15 12.616 7.911 -5.107 1.00 0.00 N ATOM 250 CA ALA A 15 13.226 6.928 -4.234 1.00 0.00 C ATOM 251 C ALA A 15 14.718 6.832 -4.504 1.00 0.00 C ATOM 252 O ALA A 15 15.157 6.962 -5.646 1.00 0.00 O ATOM 253 CB ALA A 15 12.560 5.575 -4.446 1.00 0.00 C ATOM 0 H ALA A 15 12.497 7.595 -6.069 1.00 0.00 H new ATOM 0 HA ALA A 15 13.086 7.236 -3.198 1.00 0.00 H new ATOM 0 HB1 ALA A 15 13.019 4.836 -3.789 1.00 0.00 H new ATOM 0 HB2 ALA A 15 11.497 5.653 -4.217 1.00 0.00 H new ATOM 0 HB3 ALA A 15 12.686 5.266 -5.484 1.00 0.00 H new ATOM 259 N GLU A 16 15.496 6.617 -3.459 1.00 0.00 N ATOM 260 CA GLU A 16 16.925 6.455 -3.613 1.00 0.00 C ATOM 261 C GLU A 16 17.472 5.424 -2.629 1.00 0.00 C ATOM 262 O GLU A 16 17.072 5.384 -1.467 1.00 0.00 O ATOM 263 CB GLU A 16 17.628 7.796 -3.430 1.00 0.00 C ATOM 264 CG GLU A 16 19.097 7.738 -3.800 1.00 0.00 C ATOM 265 CD GLU A 16 19.307 7.203 -5.204 1.00 0.00 C ATOM 266 OE1 GLU A 16 19.240 7.992 -6.163 1.00 0.00 O ATOM 267 OE2 GLU A 16 19.517 5.979 -5.354 1.00 0.00 O ATOM 0 H GLU A 16 15.161 6.551 -2.498 1.00 0.00 H new ATOM 0 HA GLU A 16 17.120 6.089 -4.621 1.00 0.00 H new ATOM 0 HB2 GLU A 16 17.132 8.549 -4.043 1.00 0.00 H new ATOM 0 HB3 GLU A 16 17.531 8.115 -2.392 1.00 0.00 H new ATOM 0 HG2 GLU A 16 19.530 8.735 -3.723 1.00 0.00 H new ATOM 0 HG3 GLU A 16 19.626 7.105 -3.088 1.00 0.00 H new ATOM 274 N ASN A 17 18.381 4.593 -3.115 1.00 0.00 N ATOM 275 CA ASN A 17 19.000 3.554 -2.298 1.00 0.00 C ATOM 276 C ASN A 17 20.088 4.153 -1.417 1.00 0.00 C ATOM 277 O ASN A 17 20.989 4.842 -1.898 1.00 0.00 O ATOM 278 CB ASN A 17 19.551 2.427 -3.190 1.00 0.00 C ATOM 279 CG ASN A 17 20.664 1.610 -2.542 1.00 0.00 C ATOM 280 OD1 ASN A 17 20.696 1.410 -1.329 1.00 0.00 O ATOM 281 ND2 ASN A 17 21.590 1.127 -3.355 1.00 0.00 N ATOM 0 H ASN A 17 18.711 4.617 -4.080 1.00 0.00 H new ATOM 0 HA ASN A 17 18.244 3.119 -1.644 1.00 0.00 H new ATOM 0 HB2 ASN A 17 18.733 1.758 -3.459 1.00 0.00 H new ATOM 0 HB3 ASN A 17 19.926 2.862 -4.117 1.00 0.00 H new ATOM 0 HD21 ASN A 17 22.358 0.571 -2.980 1.00 0.00 H new ATOM 0 HD22 ASN A 17 21.535 1.311 -4.357 1.00 0.00 H new ATOM 288 N GLY A 18 19.979 3.882 -0.127 1.00 0.00 N ATOM 289 CA GLY A 18 20.862 4.488 0.846 1.00 0.00 C ATOM 290 C GLY A 18 20.314 5.823 1.285 1.00 0.00 C ATOM 291 O GLY A 18 21.015 6.650 1.869 1.00 0.00 O ATOM 0 H GLY A 18 19.286 3.246 0.267 1.00 0.00 H new ATOM 0 HA2 GLY A 18 20.972 3.830 1.708 1.00 0.00 H new ATOM 0 HA3 GLY A 18 21.855 4.618 0.416 1.00 0.00 H new ATOM 295 N LYS A 19 19.044 6.030 0.980 1.00 0.00 N ATOM 296 CA LYS A 19 18.369 7.275 1.256 1.00 0.00 C ATOM 297 C LYS A 19 17.007 6.980 1.857 1.00 0.00 C ATOM 298 O LYS A 19 16.354 6.009 1.478 1.00 0.00 O ATOM 299 CB LYS A 19 18.213 8.046 -0.052 1.00 0.00 C ATOM 300 CG LYS A 19 17.931 9.530 0.116 1.00 0.00 C ATOM 301 CD LYS A 19 19.167 10.299 0.570 1.00 0.00 C ATOM 302 CE LYS A 19 18.869 11.779 0.798 1.00 0.00 C ATOM 303 NZ LYS A 19 18.262 12.421 -0.400 1.00 0.00 N ATOM 0 H LYS A 19 18.453 5.330 0.531 1.00 0.00 H new ATOM 0 HA LYS A 19 18.945 7.873 1.962 1.00 0.00 H new ATOM 0 HB2 LYS A 19 19.124 7.927 -0.639 1.00 0.00 H new ATOM 0 HB3 LYS A 19 17.402 7.599 -0.627 1.00 0.00 H new ATOM 0 HG2 LYS A 19 17.576 9.941 -0.829 1.00 0.00 H new ATOM 0 HG3 LYS A 19 17.131 9.667 0.844 1.00 0.00 H new ATOM 0 HD2 LYS A 19 19.549 9.860 1.492 1.00 0.00 H new ATOM 0 HD3 LYS A 19 19.952 10.199 -0.180 1.00 0.00 H new ATOM 0 HE2 LYS A 19 18.193 11.885 1.647 1.00 0.00 H new ATOM 0 HE3 LYS A 19 19.792 12.298 1.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 18.233 13.452 -0.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 18.833 12.199 -1.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 17.295 12.062 -0.534 1.00 0.00 H new ATOM 317 N SER A 20 16.591 7.805 2.792 1.00 0.00 N ATOM 318 CA SER A 20 15.319 7.619 3.455 1.00 0.00 C ATOM 319 C SER A 20 14.187 8.139 2.579 1.00 0.00 C ATOM 320 O SER A 20 14.267 9.229 2.012 1.00 0.00 O ATOM 321 CB SER A 20 15.341 8.319 4.804 1.00 0.00 C ATOM 322 OG SER A 20 16.323 7.742 5.656 1.00 0.00 O ATOM 0 H SER A 20 17.119 8.617 3.112 1.00 0.00 H new ATOM 0 HA SER A 20 15.147 6.556 3.622 1.00 0.00 H new ATOM 0 HB2 SER A 20 15.551 9.379 4.665 1.00 0.00 H new ATOM 0 HB3 SER A 20 14.359 8.247 5.272 1.00 0.00 H new ATOM 0 HG SER A 20 16.312 6.767 5.555 1.00 0.00 H new ATOM 328 N ASN A 21 13.138 7.351 2.478 1.00 0.00 N ATOM 329 CA ASN A 21 12.061 7.615 1.541 1.00 0.00 C ATOM 330 C ASN A 21 10.716 7.426 2.232 1.00 0.00 C ATOM 331 O ASN A 21 10.663 7.087 3.416 1.00 0.00 O ATOM 332 CB ASN A 21 12.166 6.645 0.354 1.00 0.00 C ATOM 333 CG ASN A 21 11.559 7.198 -0.926 1.00 0.00 C ATOM 334 OD1 ASN A 21 11.646 8.507 -1.139 1.00 0.00 O flip ATOM 335 ND2 ASN A 21 11.011 6.446 -1.725 1.00 0.00 N flip ATOM 0 H ASN A 21 13.005 6.511 3.041 1.00 0.00 H new ATOM 0 HA ASN A 21 12.140 8.642 1.183 1.00 0.00 H new ATOM 0 HB2 ASN A 21 13.215 6.408 0.178 1.00 0.00 H new ATOM 0 HB3 ASN A 21 11.667 5.711 0.611 1.00 0.00 H new ATOM 0 HD21 ASN A 21 10.961 5.446 -1.532 1.00 0.00 H new ATOM 0 HD22 ASN A 21 10.605 6.821 -2.583 1.00 0.00 H new ATOM 342 N PHE A 22 9.634 7.632 1.495 1.00 0.00 N ATOM 343 CA PHE A 22 8.299 7.413 2.021 1.00 0.00 C ATOM 344 C PHE A 22 7.530 6.508 1.067 1.00 0.00 C ATOM 345 O PHE A 22 7.315 6.867 -0.095 1.00 0.00 O ATOM 346 CB PHE A 22 7.539 8.735 2.177 1.00 0.00 C ATOM 347 CG PHE A 22 7.949 9.599 3.335 1.00 0.00 C ATOM 348 CD1 PHE A 22 9.160 10.273 3.337 1.00 0.00 C ATOM 349 CD2 PHE A 22 7.091 9.766 4.409 1.00 0.00 C ATOM 350 CE1 PHE A 22 9.510 11.091 4.395 1.00 0.00 C ATOM 351 CE2 PHE A 22 7.434 10.580 5.469 1.00 0.00 C ATOM 352 CZ PHE A 22 8.645 11.244 5.462 1.00 0.00 C ATOM 0 H PHE A 22 9.658 7.952 0.527 1.00 0.00 H new ATOM 0 HA PHE A 22 8.389 6.949 3.003 1.00 0.00 H new ATOM 0 HB2 PHE A 22 7.660 9.311 1.259 1.00 0.00 H new ATOM 0 HB3 PHE A 22 6.477 8.511 2.275 1.00 0.00 H new ATOM 0 HD1 PHE A 22 9.837 10.158 2.504 1.00 0.00 H new ATOM 0 HD2 PHE A 22 6.141 9.252 4.417 1.00 0.00 H new ATOM 0 HE1 PHE A 22 10.457 11.609 4.388 1.00 0.00 H new ATOM 0 HE2 PHE A 22 6.757 10.698 6.302 1.00 0.00 H new ATOM 0 HZ PHE A 22 8.916 11.882 6.290 1.00 0.00 H new ATOM 362 N LEU A 23 7.144 5.335 1.542 1.00 0.00 N ATOM 363 CA LEU A 23 6.366 4.405 0.730 1.00 0.00 C ATOM 364 C LEU A 23 4.932 4.879 0.702 1.00 0.00 C ATOM 365 O LEU A 23 4.504 5.615 1.584 1.00 0.00 O ATOM 366 CB LEU A 23 6.418 2.996 1.318 1.00 0.00 C ATOM 367 CG LEU A 23 6.676 1.830 0.331 1.00 0.00 C ATOM 368 CD1 LEU A 23 6.499 0.493 1.040 1.00 0.00 C ATOM 369 CD2 LEU A 23 5.761 1.887 -0.892 1.00 0.00 C ATOM 0 H LEU A 23 7.354 5.002 2.483 1.00 0.00 H new ATOM 0 HA LEU A 23 6.783 4.374 -0.277 1.00 0.00 H new ATOM 0 HB2 LEU A 23 7.199 2.975 2.078 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.473 2.806 1.827 1.00 0.00 H new ATOM 0 HG LEU A 23 7.703 1.932 -0.021 1.00 0.00 H new ATOM 0 HD11 LEU A 23 6.683 -0.319 0.336 1.00 0.00 H new ATOM 0 HD12 LEU A 23 7.205 0.423 1.867 1.00 0.00 H new ATOM 0 HD13 LEU A 23 5.482 0.417 1.424 1.00 0.00 H new ATOM 0 HD21 LEU A 23 5.983 1.048 -1.552 1.00 0.00 H new ATOM 0 HD22 LEU A 23 4.721 1.831 -0.571 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.926 2.822 -1.427 1.00 0.00 H new ATOM 381 N ASN A 24 4.201 4.479 -0.308 1.00 0.00 N ATOM 382 CA ASN A 24 2.806 4.850 -0.414 1.00 0.00 C ATOM 383 C ASN A 24 1.986 3.698 -0.987 1.00 0.00 C ATOM 384 O ASN A 24 2.298 3.179 -2.060 1.00 0.00 O ATOM 385 CB ASN A 24 2.671 6.104 -1.283 1.00 0.00 C ATOM 386 CG ASN A 24 1.236 6.434 -1.626 1.00 0.00 C ATOM 387 OD1 ASN A 24 0.563 7.148 -0.892 1.00 0.00 O ATOM 388 ND2 ASN A 24 0.766 5.922 -2.751 1.00 0.00 N ATOM 0 H ASN A 24 4.546 3.896 -1.071 1.00 0.00 H new ATOM 0 HA ASN A 24 2.419 5.070 0.581 1.00 0.00 H new ATOM 0 HB2 ASN A 24 3.118 6.950 -0.761 1.00 0.00 H new ATOM 0 HB3 ASN A 24 3.236 5.963 -2.205 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -0.193 6.117 -3.038 1.00 0.00 H new ATOM 0 HD22 ASN A 24 1.363 5.332 -3.331 1.00 0.00 H new ATOM 395 N CYS A 25 0.938 3.311 -0.277 1.00 0.00 N ATOM 396 CA CYS A 25 0.080 2.218 -0.707 1.00 0.00 C ATOM 397 C CYS A 25 -1.381 2.669 -0.661 1.00 0.00 C ATOM 398 O CYS A 25 -1.884 3.079 0.389 1.00 0.00 O ATOM 399 CB CYS A 25 0.319 0.993 0.177 1.00 0.00 C ATOM 400 SG CYS A 25 -0.133 -0.591 -0.596 1.00 0.00 S ATOM 0 H CYS A 25 0.660 3.741 0.605 1.00 0.00 H new ATOM 0 HA CYS A 25 0.317 1.939 -1.734 1.00 0.00 H new ATOM 0 HB2 CYS A 25 1.373 0.960 0.455 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -0.250 1.109 1.099 1.00 0.00 H new ATOM 405 N TYR A 26 -2.043 2.607 -1.811 1.00 0.00 N ATOM 406 CA TYR A 26 -3.403 3.102 -1.957 1.00 0.00 C ATOM 407 C TYR A 26 -4.326 1.958 -2.327 1.00 0.00 C ATOM 408 O TYR A 26 -4.219 1.392 -3.416 1.00 0.00 O ATOM 409 CB TYR A 26 -3.488 4.166 -3.058 1.00 0.00 C ATOM 410 CG TYR A 26 -3.434 5.610 -2.592 1.00 0.00 C ATOM 411 CD1 TYR A 26 -2.225 6.268 -2.448 1.00 0.00 C ATOM 412 CD2 TYR A 26 -4.600 6.330 -2.358 1.00 0.00 C ATOM 413 CE1 TYR A 26 -2.175 7.601 -2.083 1.00 0.00 C ATOM 414 CE2 TYR A 26 -4.557 7.661 -1.980 1.00 0.00 C ATOM 415 CZ TYR A 26 -3.341 8.291 -1.849 1.00 0.00 C ATOM 416 OH TYR A 26 -3.287 9.622 -1.499 1.00 0.00 O ATOM 0 H TYR A 26 -1.651 2.212 -2.666 1.00 0.00 H new ATOM 0 HA TYR A 26 -3.701 3.544 -1.007 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -2.671 4.000 -3.760 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -4.417 4.017 -3.609 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -1.305 5.731 -2.624 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -5.557 5.842 -2.473 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -1.222 8.099 -1.982 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -5.472 8.201 -1.789 1.00 0.00 H new ATOM 0 HH TYR A 26 -4.196 9.963 -1.370 1.00 0.00 H new ATOM 426 N VAL A 27 -5.213 1.603 -1.422 1.00 0.00 N ATOM 427 CA VAL A 27 -6.208 0.593 -1.720 1.00 0.00 C ATOM 428 C VAL A 27 -7.597 1.210 -1.620 1.00 0.00 C ATOM 429 O VAL A 27 -8.024 1.625 -0.544 1.00 0.00 O ATOM 430 CB VAL A 27 -6.101 -0.630 -0.787 1.00 0.00 C ATOM 431 CG1 VAL A 27 -6.820 -1.819 -1.400 1.00 0.00 C ATOM 432 CG2 VAL A 27 -4.646 -0.980 -0.506 1.00 0.00 C ATOM 0 H VAL A 27 -5.267 1.994 -0.482 1.00 0.00 H new ATOM 0 HA VAL A 27 -6.028 0.235 -2.734 1.00 0.00 H new ATOM 0 HB VAL A 27 -6.576 -0.377 0.161 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -6.738 -2.677 -0.733 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -7.872 -1.572 -1.547 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -6.367 -2.062 -2.361 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -4.601 -1.846 0.154 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -4.140 -1.212 -1.443 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -4.154 -0.133 -0.028 1.00 0.00 H new ATOM 442 N SER A 28 -8.282 1.305 -2.750 1.00 0.00 N ATOM 443 CA SER A 28 -9.581 1.959 -2.798 1.00 0.00 C ATOM 444 C SER A 28 -10.475 1.325 -3.862 1.00 0.00 C ATOM 445 O SER A 28 -10.075 0.371 -4.536 1.00 0.00 O ATOM 446 CB SER A 28 -9.395 3.454 -3.073 1.00 0.00 C ATOM 447 OG SER A 28 -10.609 4.174 -2.901 1.00 0.00 O ATOM 0 H SER A 28 -7.960 0.938 -3.645 1.00 0.00 H new ATOM 0 HA SER A 28 -10.072 1.831 -1.833 1.00 0.00 H new ATOM 0 HB2 SER A 28 -8.635 3.856 -2.403 1.00 0.00 H new ATOM 0 HB3 SER A 28 -9.029 3.594 -4.090 1.00 0.00 H new ATOM 0 HG SER A 28 -10.908 4.093 -1.971 1.00 0.00 H new ATOM 453 N GLY A 29 -11.686 1.860 -3.994 1.00 0.00 N ATOM 454 CA GLY A 29 -12.645 1.336 -4.941 1.00 0.00 C ATOM 455 C GLY A 29 -13.504 0.254 -4.327 1.00 0.00 C ATOM 456 O GLY A 29 -14.036 -0.595 -5.026 1.00 0.00 O ATOM 0 H GLY A 29 -12.020 2.657 -3.452 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -13.281 2.145 -5.300 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -12.119 0.935 -5.807 1.00 0.00 H new ATOM 460 N PHE A 30 -13.629 0.275 -3.010 1.00 0.00 N ATOM 461 CA PHE A 30 -14.333 -0.785 -2.298 1.00 0.00 C ATOM 462 C PHE A 30 -15.345 -0.233 -1.293 1.00 0.00 C ATOM 463 O PHE A 30 -15.545 0.978 -1.189 1.00 0.00 O ATOM 464 CB PHE A 30 -13.312 -1.646 -1.554 1.00 0.00 C ATOM 465 CG PHE A 30 -12.581 -0.869 -0.491 1.00 0.00 C ATOM 466 CD1 PHE A 30 -11.430 -0.169 -0.800 1.00 0.00 C ATOM 467 CD2 PHE A 30 -13.063 -0.815 0.807 1.00 0.00 C ATOM 468 CE1 PHE A 30 -10.774 0.569 0.162 1.00 0.00 C ATOM 469 CE2 PHE A 30 -12.407 -0.083 1.772 1.00 0.00 C ATOM 470 CZ PHE A 30 -11.261 0.612 1.450 1.00 0.00 C ATOM 0 H PHE A 30 -13.254 1.011 -2.412 1.00 0.00 H new ATOM 0 HA PHE A 30 -14.881 -1.374 -3.033 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -13.820 -2.495 -1.097 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -12.592 -2.050 -2.266 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -11.040 -0.201 -1.807 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -13.963 -1.353 1.065 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -9.877 1.114 -0.094 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -12.791 -0.054 2.781 1.00 0.00 H new ATOM 0 HZ PHE A 30 -10.747 1.188 2.205 1.00 0.00 H new ATOM 480 N HIS A 31 -15.966 -1.154 -0.556 1.00 0.00 N ATOM 481 CA HIS A 31 -16.854 -0.816 0.567 1.00 0.00 C ATOM 482 C HIS A 31 -16.552 -1.787 1.715 1.00 0.00 C ATOM 483 O HIS A 31 -15.872 -2.790 1.491 1.00 0.00 O ATOM 484 CB HIS A 31 -18.362 -0.871 0.200 1.00 0.00 C ATOM 485 CG HIS A 31 -18.768 0.047 -0.912 1.00 0.00 C ATOM 486 ND1 HIS A 31 -19.217 -0.435 -2.116 1.00 0.00 N ATOM 487 CD2 HIS A 31 -18.817 1.400 -0.933 1.00 0.00 C ATOM 488 CE1 HIS A 31 -19.528 0.628 -2.836 1.00 0.00 C ATOM 489 NE2 HIS A 31 -19.304 1.764 -2.161 1.00 0.00 N ATOM 0 H HIS A 31 -15.871 -2.157 -0.717 1.00 0.00 H new ATOM 0 HA HIS A 31 -16.658 0.217 0.856 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -18.617 -1.893 -0.079 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -18.947 -0.627 1.087 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -18.527 2.066 -0.134 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -19.915 0.587 -3.844 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -19.465 2.714 -2.496 1.00 0.00 H new ATOM 497 N PRO A 32 -17.020 -1.528 2.959 1.00 0.00 N ATOM 498 CA PRO A 32 -17.810 -0.338 3.331 1.00 0.00 C ATOM 499 C PRO A 32 -17.012 0.960 3.214 1.00 0.00 C ATOM 500 O PRO A 32 -17.277 1.778 2.329 1.00 0.00 O ATOM 501 CB PRO A 32 -18.201 -0.593 4.792 1.00 0.00 C ATOM 502 CG PRO A 32 -17.945 -2.043 5.028 1.00 0.00 C ATOM 503 CD PRO A 32 -16.819 -2.420 4.112 1.00 0.00 C ATOM 0 HA PRO A 32 -18.664 -0.207 2.667 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -17.611 0.025 5.469 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -19.248 -0.346 4.966 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -17.679 -2.228 6.069 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -18.835 -2.636 4.816 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -15.847 -2.262 4.580 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -16.867 -3.470 3.824 1.00 0.00 H new ATOM 511 N SER A 33 -16.054 1.172 4.114 1.00 0.00 N ATOM 512 CA SER A 33 -15.137 2.295 4.026 1.00 0.00 C ATOM 513 C SER A 33 -13.823 1.901 4.698 1.00 0.00 C ATOM 514 O SER A 33 -13.035 2.753 5.116 1.00 0.00 O ATOM 515 CB SER A 33 -15.727 3.527 4.718 1.00 0.00 C ATOM 516 OG SER A 33 -16.958 3.906 4.128 1.00 0.00 O ATOM 0 H SER A 33 -15.896 0.569 4.921 1.00 0.00 H new ATOM 0 HA SER A 33 -14.965 2.544 2.979 1.00 0.00 H new ATOM 0 HB2 SER A 33 -15.878 3.315 5.777 1.00 0.00 H new ATOM 0 HB3 SER A 33 -15.021 4.355 4.656 1.00 0.00 H new ATOM 0 HG SER A 33 -17.144 3.327 3.360 1.00 0.00 H new ATOM 522 N ASP A 34 -13.600 0.591 4.809 1.00 0.00 N ATOM 523 CA ASP A 34 -12.427 0.074 5.498 1.00 0.00 C ATOM 524 C ASP A 34 -11.895 -1.187 4.809 1.00 0.00 C ATOM 525 O ASP A 34 -12.660 -2.060 4.394 1.00 0.00 O ATOM 526 CB ASP A 34 -12.749 -0.240 6.975 1.00 0.00 C ATOM 527 CG ASP A 34 -13.446 -1.577 7.163 1.00 0.00 C ATOM 528 OD1 ASP A 34 -12.767 -2.561 7.525 1.00 0.00 O ATOM 529 OD2 ASP A 34 -14.674 -1.652 6.951 1.00 0.00 O ATOM 0 H ASP A 34 -14.218 -0.127 4.430 1.00 0.00 H new ATOM 0 HA ASP A 34 -11.659 0.846 5.459 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -11.824 -0.235 7.551 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -13.380 0.552 7.379 1.00 0.00 H new ATOM 534 N ILE A 35 -10.582 -1.246 4.658 1.00 0.00 N ATOM 535 CA ILE A 35 -9.893 -2.448 4.201 1.00 0.00 C ATOM 536 C ILE A 35 -8.597 -2.553 4.979 1.00 0.00 C ATOM 537 O ILE A 35 -8.091 -1.539 5.466 1.00 0.00 O ATOM 538 CB ILE A 35 -9.555 -2.425 2.687 1.00 0.00 C ATOM 539 CG1 ILE A 35 -9.177 -3.834 2.210 1.00 0.00 C ATOM 540 CG2 ILE A 35 -8.403 -1.466 2.411 1.00 0.00 C ATOM 541 CD1 ILE A 35 -8.252 -3.855 1.008 1.00 0.00 C ATOM 0 H ILE A 35 -9.960 -0.461 4.849 1.00 0.00 H new ATOM 0 HA ILE A 35 -10.556 -3.297 4.366 1.00 0.00 H new ATOM 0 HB ILE A 35 -10.436 -2.084 2.143 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -8.699 -4.368 3.032 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -10.088 -4.379 1.963 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -8.180 -1.463 1.344 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -8.683 -0.461 2.726 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -7.521 -1.788 2.965 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -8.034 -4.887 0.735 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -8.734 -3.352 0.170 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -7.323 -3.341 1.255 1.00 0.00 H new ATOM 553 N GLU A 36 -8.070 -3.747 5.136 1.00 0.00 N ATOM 554 CA GLU A 36 -6.793 -3.919 5.795 1.00 0.00 C ATOM 555 C GLU A 36 -5.732 -4.191 4.747 1.00 0.00 C ATOM 556 O GLU A 36 -5.899 -5.061 3.886 1.00 0.00 O ATOM 557 CB GLU A 36 -6.877 -5.091 6.780 1.00 0.00 C ATOM 558 CG GLU A 36 -5.666 -5.265 7.697 1.00 0.00 C ATOM 559 CD GLU A 36 -4.725 -6.367 7.251 1.00 0.00 C ATOM 560 OE1 GLU A 36 -4.730 -7.443 7.889 1.00 0.00 O ATOM 561 OE2 GLU A 36 -3.974 -6.166 6.280 1.00 0.00 O ATOM 0 H GLU A 36 -8.505 -4.613 4.817 1.00 0.00 H new ATOM 0 HA GLU A 36 -6.533 -3.016 6.347 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -7.764 -4.960 7.399 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -7.017 -6.011 6.213 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -5.116 -4.325 7.743 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -6.013 -5.481 8.707 1.00 0.00 H new ATOM 568 N VAL A 37 -4.661 -3.435 4.813 1.00 0.00 N ATOM 569 CA VAL A 37 -3.552 -3.594 3.894 1.00 0.00 C ATOM 570 C VAL A 37 -2.240 -3.448 4.650 1.00 0.00 C ATOM 571 O VAL A 37 -2.067 -2.535 5.460 1.00 0.00 O ATOM 572 CB VAL A 37 -3.639 -2.625 2.673 1.00 0.00 C ATOM 573 CG1 VAL A 37 -4.701 -1.572 2.902 1.00 0.00 C ATOM 574 CG2 VAL A 37 -2.298 -1.967 2.328 1.00 0.00 C ATOM 0 H VAL A 37 -4.531 -2.694 5.502 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.602 -4.597 3.470 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.916 -3.237 1.814 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -4.746 -0.907 2.040 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -5.669 -2.055 3.038 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -4.455 -0.995 3.793 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -2.427 -1.306 1.471 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -1.946 -1.389 3.182 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -1.566 -2.738 2.085 1.00 0.00 H new ATOM 584 N ASP A 38 -1.343 -4.377 4.396 1.00 0.00 N ATOM 585 CA ASP A 38 -0.090 -4.455 5.119 1.00 0.00 C ATOM 586 C ASP A 38 1.070 -4.429 4.141 1.00 0.00 C ATOM 587 O ASP A 38 0.979 -4.960 3.039 1.00 0.00 O ATOM 588 CB ASP A 38 -0.074 -5.712 6.015 1.00 0.00 C ATOM 589 CG ASP A 38 0.986 -6.743 5.663 1.00 0.00 C ATOM 590 OD1 ASP A 38 2.177 -6.488 5.911 1.00 0.00 O ATOM 591 OD2 ASP A 38 0.612 -7.844 5.200 1.00 0.00 O ATOM 0 H ASP A 38 -1.461 -5.098 3.684 1.00 0.00 H new ATOM 0 HA ASP A 38 0.015 -3.590 5.774 1.00 0.00 H new ATOM 0 HB2 ASP A 38 0.074 -5.400 7.049 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -1.053 -6.188 5.963 1.00 0.00 H new ATOM 596 N LEU A 39 2.140 -3.777 4.537 1.00 0.00 N ATOM 597 CA LEU A 39 3.287 -3.610 3.664 1.00 0.00 C ATOM 598 C LEU A 39 4.317 -4.685 3.956 1.00 0.00 C ATOM 599 O LEU A 39 4.552 -5.033 5.107 1.00 0.00 O ATOM 600 CB LEU A 39 3.910 -2.230 3.845 1.00 0.00 C ATOM 601 CG LEU A 39 2.945 -1.046 3.784 1.00 0.00 C ATOM 602 CD1 LEU A 39 3.708 0.255 3.964 1.00 0.00 C ATOM 603 CD2 LEU A 39 2.162 -1.028 2.483 1.00 0.00 C ATOM 0 H LEU A 39 2.243 -3.352 5.459 1.00 0.00 H new ATOM 0 HA LEU A 39 2.951 -3.702 2.631 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.421 -2.207 4.807 1.00 0.00 H new ATOM 0 HB3 LEU A 39 4.671 -2.093 3.077 1.00 0.00 H new ATOM 0 HG LEU A 39 2.226 -1.155 4.596 1.00 0.00 H new ATOM 0 HD11 LEU A 39 3.013 1.094 3.919 1.00 0.00 H new ATOM 0 HD12 LEU A 39 4.210 0.251 4.931 1.00 0.00 H new ATOM 0 HD13 LEU A 39 4.449 0.355 3.171 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.487 -0.172 2.477 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.853 -0.951 1.644 1.00 0.00 H new ATOM 0 HD23 LEU A 39 1.583 -1.947 2.394 1.00 0.00 H new ATOM 615 N LEU A 40 4.925 -5.205 2.912 1.00 0.00 N ATOM 616 CA LEU A 40 5.848 -6.311 3.039 1.00 0.00 C ATOM 617 C LEU A 40 7.278 -5.920 2.721 1.00 0.00 C ATOM 618 O LEU A 40 7.562 -4.815 2.266 1.00 0.00 O ATOM 619 CB LEU A 40 5.454 -7.452 2.117 1.00 0.00 C ATOM 620 CG LEU A 40 3.978 -7.819 2.115 1.00 0.00 C ATOM 621 CD1 LEU A 40 3.713 -8.891 1.073 1.00 0.00 C ATOM 622 CD2 LEU A 40 3.546 -8.286 3.494 1.00 0.00 C ATOM 0 H LEU A 40 4.794 -4.875 1.956 1.00 0.00 H new ATOM 0 HA LEU A 40 5.796 -6.624 4.082 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.746 -7.190 1.100 1.00 0.00 H new ATOM 0 HB3 LEU A 40 6.029 -8.335 2.396 1.00 0.00 H new ATOM 0 HG LEU A 40 3.393 -6.935 1.860 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.654 -9.149 1.077 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.991 -8.517 0.088 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.303 -9.778 1.305 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.487 -8.545 3.475 1.00 0.00 H new ATOM 0 HD22 LEU A 40 4.129 -9.162 3.781 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.712 -7.487 4.217 1.00 0.00 H new ATOM 634 N LYS A 41 8.149 -6.893 2.930 1.00 0.00 N ATOM 635 CA LYS A 41 9.570 -6.771 2.670 1.00 0.00 C ATOM 636 C LYS A 41 10.110 -8.109 2.221 1.00 0.00 C ATOM 637 O LYS A 41 10.347 -9.004 3.031 1.00 0.00 O ATOM 638 CB LYS A 41 10.323 -6.283 3.894 1.00 0.00 C ATOM 639 CG LYS A 41 9.820 -4.920 4.366 1.00 0.00 C ATOM 640 CD LYS A 41 10.738 -4.266 5.417 1.00 0.00 C ATOM 641 CE LYS A 41 10.452 -4.789 6.814 1.00 0.00 C ATOM 642 NZ LYS A 41 11.295 -4.115 7.840 1.00 0.00 N ATOM 0 H LYS A 41 7.880 -7.808 3.293 1.00 0.00 H new ATOM 0 HA LYS A 41 9.715 -6.031 1.883 1.00 0.00 H new ATOM 0 HB2 LYS A 41 10.215 -7.009 4.700 1.00 0.00 H new ATOM 0 HB3 LYS A 41 11.386 -6.218 3.664 1.00 0.00 H new ATOM 0 HG2 LYS A 41 9.731 -4.255 3.507 1.00 0.00 H new ATOM 0 HG3 LYS A 41 8.821 -5.034 4.786 1.00 0.00 H new ATOM 0 HD2 LYS A 41 11.780 -4.460 5.162 1.00 0.00 H new ATOM 0 HD3 LYS A 41 10.601 -3.185 5.398 1.00 0.00 H new ATOM 0 HE2 LYS A 41 9.399 -4.636 7.051 1.00 0.00 H new ATOM 0 HE3 LYS A 41 10.633 -5.864 6.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 11.071 -4.499 8.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 12.299 -4.282 7.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 11.104 -3.093 7.829 1.00 0.00 H new ATOM 656 N ASN A 42 10.242 -8.232 0.910 1.00 0.00 N ATOM 657 CA ASN A 42 10.661 -9.474 0.240 1.00 0.00 C ATOM 658 C ASN A 42 9.588 -10.561 0.350 1.00 0.00 C ATOM 659 O ASN A 42 9.604 -11.538 -0.395 1.00 0.00 O ATOM 660 CB ASN A 42 12.003 -9.989 0.782 1.00 0.00 C ATOM 661 CG ASN A 42 13.172 -9.612 -0.107 1.00 0.00 C ATOM 662 OD1 ASN A 42 13.488 -10.321 -1.063 1.00 0.00 O ATOM 663 ND2 ASN A 42 13.831 -8.508 0.207 1.00 0.00 N ATOM 0 H ASN A 42 10.060 -7.465 0.262 1.00 0.00 H new ATOM 0 HA ASN A 42 10.795 -9.233 -0.814 1.00 0.00 H new ATOM 0 HB2 ASN A 42 12.166 -9.586 1.781 1.00 0.00 H new ATOM 0 HB3 ASN A 42 11.960 -11.074 0.879 1.00 0.00 H new ATOM 0 HD21 ASN A 42 14.633 -8.217 -0.351 1.00 0.00 H new ATOM 0 HD22 ASN A 42 13.537 -7.948 1.007 1.00 0.00 H new ATOM 670 N GLY A 43 8.657 -10.365 1.270 1.00 0.00 N ATOM 671 CA GLY A 43 7.576 -11.307 1.476 1.00 0.00 C ATOM 672 C GLY A 43 7.093 -11.310 2.909 1.00 0.00 C ATOM 673 O GLY A 43 6.143 -12.008 3.257 1.00 0.00 O ATOM 0 H GLY A 43 8.631 -9.555 1.889 1.00 0.00 H new ATOM 0 HA2 GLY A 43 6.747 -11.057 0.814 1.00 0.00 H new ATOM 0 HA3 GLY A 43 7.911 -12.308 1.204 1.00 0.00 H new ATOM 677 N GLU A 44 7.737 -10.501 3.730 1.00 0.00 N ATOM 678 CA GLU A 44 7.506 -10.507 5.152 1.00 0.00 C ATOM 679 C GLU A 44 6.869 -9.199 5.599 1.00 0.00 C ATOM 680 O GLU A 44 7.181 -8.144 5.064 1.00 0.00 O ATOM 681 CB GLU A 44 8.849 -10.703 5.807 1.00 0.00 C ATOM 682 CG GLU A 44 9.637 -11.821 5.163 1.00 0.00 C ATOM 683 CD GLU A 44 8.965 -13.175 5.285 1.00 0.00 C ATOM 684 OE1 GLU A 44 8.681 -13.801 4.242 1.00 0.00 O ATOM 685 OE2 GLU A 44 8.709 -13.618 6.421 1.00 0.00 O ATOM 0 H GLU A 44 8.434 -9.823 3.424 1.00 0.00 H new ATOM 0 HA GLU A 44 6.818 -11.304 5.433 1.00 0.00 H new ATOM 0 HB2 GLU A 44 9.420 -9.776 5.747 1.00 0.00 H new ATOM 0 HB3 GLU A 44 8.707 -10.922 6.865 1.00 0.00 H new ATOM 0 HG2 GLU A 44 9.786 -11.591 4.108 1.00 0.00 H new ATOM 0 HG3 GLU A 44 10.625 -11.871 5.621 1.00 0.00 H new ATOM 692 N ARG A 45 5.986 -9.283 6.578 1.00 0.00 N ATOM 693 CA ARG A 45 5.190 -8.144 7.017 1.00 0.00 C ATOM 694 C ARG A 45 6.028 -7.049 7.687 1.00 0.00 C ATOM 695 O ARG A 45 6.965 -7.334 8.438 1.00 0.00 O ATOM 696 CB ARG A 45 4.117 -8.648 7.979 1.00 0.00 C ATOM 697 CG ARG A 45 3.205 -7.591 8.528 1.00 0.00 C ATOM 698 CD ARG A 45 1.881 -8.251 8.916 1.00 0.00 C ATOM 699 NE ARG A 45 1.348 -9.047 7.815 1.00 0.00 N ATOM 700 CZ ARG A 45 0.820 -10.258 7.958 1.00 0.00 C ATOM 701 NH1 ARG A 45 0.748 -10.824 9.157 1.00 0.00 N ATOM 702 NH2 ARG A 45 0.352 -10.901 6.898 1.00 0.00 N ATOM 0 H ARG A 45 5.798 -10.143 7.094 1.00 0.00 H new ATOM 0 HA ARG A 45 4.741 -7.687 6.135 1.00 0.00 H new ATOM 0 HB2 ARG A 45 3.513 -9.396 7.465 1.00 0.00 H new ATOM 0 HB3 ARG A 45 4.606 -9.152 8.812 1.00 0.00 H new ATOM 0 HG2 ARG A 45 3.659 -7.112 9.396 1.00 0.00 H new ATOM 0 HG3 ARG A 45 3.037 -6.812 7.785 1.00 0.00 H new ATOM 0 HD2 ARG A 45 2.030 -8.886 9.789 1.00 0.00 H new ATOM 0 HD3 ARG A 45 1.158 -7.485 9.198 1.00 0.00 H new ATOM 0 HE ARG A 45 1.383 -8.649 6.877 1.00 0.00 H new ATOM 0 HH11 ARG A 45 1.099 -10.329 9.977 1.00 0.00 H new ATOM 0 HH12 ARG A 45 0.341 -11.754 9.258 1.00 0.00 H new ATOM 0 HH21 ARG A 45 0.398 -10.466 5.976 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -0.054 -11.831 7.004 1.00 0.00 H new ATOM 716 N ILE A 46 5.673 -5.797 7.401 1.00 0.00 N ATOM 717 CA ILE A 46 6.249 -4.643 8.071 1.00 0.00 C ATOM 718 C ILE A 46 5.344 -4.251 9.224 1.00 0.00 C ATOM 719 O ILE A 46 4.119 -4.281 9.098 1.00 0.00 O ATOM 720 CB ILE A 46 6.384 -3.411 7.144 1.00 0.00 C ATOM 721 CG1 ILE A 46 7.204 -3.713 5.897 1.00 0.00 C ATOM 722 CG2 ILE A 46 7.024 -2.253 7.903 1.00 0.00 C ATOM 723 CD1 ILE A 46 7.229 -2.553 4.919 1.00 0.00 C ATOM 0 H ILE A 46 4.976 -5.559 6.696 1.00 0.00 H new ATOM 0 HA ILE A 46 7.247 -4.930 8.402 1.00 0.00 H new ATOM 0 HB ILE A 46 5.378 -3.139 6.823 1.00 0.00 H new ATOM 0 HG12 ILE A 46 8.225 -3.959 6.189 1.00 0.00 H new ATOM 0 HG13 ILE A 46 6.793 -4.593 5.401 1.00 0.00 H new ATOM 0 HG21 ILE A 46 7.115 -1.391 7.242 1.00 0.00 H new ATOM 0 HG22 ILE A 46 6.402 -1.991 8.759 1.00 0.00 H new ATOM 0 HG23 ILE A 46 8.014 -2.549 8.251 1.00 0.00 H new ATOM 0 HD11 ILE A 46 7.828 -2.823 4.049 1.00 0.00 H new ATOM 0 HD12 ILE A 46 6.212 -2.322 4.602 1.00 0.00 H new ATOM 0 HD13 ILE A 46 7.666 -1.679 5.402 1.00 0.00 H new ATOM 735 N GLU A 47 5.930 -3.891 10.342 1.00 0.00 N ATOM 736 CA GLU A 47 5.144 -3.503 11.506 1.00 0.00 C ATOM 737 C GLU A 47 5.112 -1.987 11.703 1.00 0.00 C ATOM 738 O GLU A 47 4.103 -1.441 12.141 1.00 0.00 O ATOM 739 CB GLU A 47 5.639 -4.229 12.768 1.00 0.00 C ATOM 740 CG GLU A 47 7.098 -4.595 12.769 1.00 0.00 C ATOM 741 CD GLU A 47 8.015 -3.501 13.261 1.00 0.00 C ATOM 742 OE1 GLU A 47 8.917 -3.100 12.503 1.00 0.00 O ATOM 743 OE2 GLU A 47 7.857 -3.057 14.415 1.00 0.00 O ATOM 0 H GLU A 47 6.940 -3.856 10.477 1.00 0.00 H new ATOM 0 HA GLU A 47 4.115 -3.813 11.322 1.00 0.00 H new ATOM 0 HB2 GLU A 47 5.440 -3.596 13.633 1.00 0.00 H new ATOM 0 HB3 GLU A 47 5.053 -5.139 12.897 1.00 0.00 H new ATOM 0 HG2 GLU A 47 7.238 -5.478 13.393 1.00 0.00 H new ATOM 0 HG3 GLU A 47 7.392 -4.870 11.756 1.00 0.00 H new ATOM 750 N LYS A 48 6.217 -1.316 11.395 1.00 0.00 N ATOM 751 CA LYS A 48 6.308 0.145 11.487 1.00 0.00 C ATOM 752 C LYS A 48 5.441 0.883 10.461 1.00 0.00 C ATOM 753 O LYS A 48 5.541 2.104 10.322 1.00 0.00 O ATOM 754 CB LYS A 48 7.771 0.545 11.327 1.00 0.00 C ATOM 755 CG LYS A 48 8.664 -0.216 12.279 1.00 0.00 C ATOM 756 CD LYS A 48 9.025 0.599 13.501 1.00 0.00 C ATOM 757 CE LYS A 48 9.475 -0.296 14.642 1.00 0.00 C ATOM 758 NZ LYS A 48 10.526 -1.257 14.223 1.00 0.00 N ATOM 0 H LYS A 48 7.075 -1.764 11.075 1.00 0.00 H new ATOM 0 HA LYS A 48 5.922 0.439 12.463 1.00 0.00 H new ATOM 0 HB2 LYS A 48 8.089 0.359 10.301 1.00 0.00 H new ATOM 0 HB3 LYS A 48 7.878 1.615 11.504 1.00 0.00 H new ATOM 0 HG2 LYS A 48 8.162 -1.132 12.591 1.00 0.00 H new ATOM 0 HG3 LYS A 48 9.576 -0.513 11.760 1.00 0.00 H new ATOM 0 HD2 LYS A 48 9.820 1.302 13.251 1.00 0.00 H new ATOM 0 HD3 LYS A 48 8.164 1.189 13.815 1.00 0.00 H new ATOM 0 HE2 LYS A 48 9.854 0.321 15.457 1.00 0.00 H new ATOM 0 HE3 LYS A 48 8.617 -0.845 15.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 10.944 -1.703 15.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 10.105 -1.990 13.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 11.266 -0.753 13.694 1.00 0.00 H new ATOM 772 N VAL A 49 4.612 0.150 9.740 1.00 0.00 N ATOM 773 CA VAL A 49 3.638 0.754 8.843 1.00 0.00 C ATOM 774 C VAL A 49 2.585 1.527 9.625 1.00 0.00 C ATOM 775 O VAL A 49 2.148 1.092 10.693 1.00 0.00 O ATOM 776 CB VAL A 49 2.929 -0.313 7.995 1.00 0.00 C ATOM 777 CG1 VAL A 49 1.888 0.319 7.080 1.00 0.00 C ATOM 778 CG2 VAL A 49 3.942 -1.098 7.195 1.00 0.00 C ATOM 0 H VAL A 49 4.592 -0.870 9.757 1.00 0.00 H new ATOM 0 HA VAL A 49 4.185 1.434 8.190 1.00 0.00 H new ATOM 0 HB VAL A 49 2.409 -0.997 8.666 1.00 0.00 H new ATOM 0 HG11 VAL A 49 1.401 -0.458 6.491 1.00 0.00 H new ATOM 0 HG12 VAL A 49 1.142 0.839 7.682 1.00 0.00 H new ATOM 0 HG13 VAL A 49 2.374 1.029 6.412 1.00 0.00 H new ATOM 0 HG21 VAL A 49 3.429 -1.852 6.598 1.00 0.00 H new ATOM 0 HG22 VAL A 49 4.488 -0.423 6.536 1.00 0.00 H new ATOM 0 HG23 VAL A 49 4.641 -1.587 7.873 1.00 0.00 H new ATOM 788 N GLU A 50 2.177 2.666 9.088 1.00 0.00 N ATOM 789 CA GLU A 50 1.125 3.453 9.694 1.00 0.00 C ATOM 790 C GLU A 50 0.113 3.882 8.643 1.00 0.00 C ATOM 791 O GLU A 50 0.445 4.045 7.467 1.00 0.00 O ATOM 792 CB GLU A 50 1.687 4.696 10.381 1.00 0.00 C ATOM 793 CG GLU A 50 2.773 4.405 11.395 1.00 0.00 C ATOM 794 CD GLU A 50 3.253 5.658 12.093 1.00 0.00 C ATOM 795 OE1 GLU A 50 3.131 5.739 13.333 1.00 0.00 O ATOM 796 OE2 GLU A 50 3.735 6.582 11.405 1.00 0.00 O ATOM 0 H GLU A 50 2.562 3.063 8.231 1.00 0.00 H new ATOM 0 HA GLU A 50 0.638 2.827 10.442 1.00 0.00 H new ATOM 0 HB2 GLU A 50 2.085 5.369 9.622 1.00 0.00 H new ATOM 0 HB3 GLU A 50 0.872 5.223 10.878 1.00 0.00 H new ATOM 0 HG2 GLU A 50 2.396 3.700 12.136 1.00 0.00 H new ATOM 0 HG3 GLU A 50 3.614 3.924 10.896 1.00 0.00 H new ATOM 803 N HIS A 51 -1.116 4.051 9.080 1.00 0.00 N ATOM 804 CA HIS A 51 -2.156 4.620 8.238 1.00 0.00 C ATOM 805 C HIS A 51 -2.580 5.979 8.786 1.00 0.00 C ATOM 806 O HIS A 51 -2.968 6.104 9.950 1.00 0.00 O ATOM 807 CB HIS A 51 -3.362 3.676 8.095 1.00 0.00 C ATOM 808 CG HIS A 51 -4.012 3.259 9.386 1.00 0.00 C ATOM 809 ND1 HIS A 51 -5.244 3.750 9.747 1.00 0.00 N ATOM 810 CD2 HIS A 51 -3.588 2.390 10.341 1.00 0.00 C ATOM 811 CE1 HIS A 51 -5.541 3.176 10.901 1.00 0.00 C ATOM 812 NE2 HIS A 51 -4.569 2.347 11.298 1.00 0.00 N ATOM 0 H HIS A 51 -1.425 3.802 10.020 1.00 0.00 H new ATOM 0 HA HIS A 51 -1.746 4.755 7.237 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -4.111 4.164 7.472 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -3.040 2.780 7.564 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -2.659 1.840 10.345 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -6.452 3.354 11.453 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -4.559 1.788 12.151 1.00 0.00 H new ATOM 820 N SER A 52 -2.477 6.994 7.946 1.00 0.00 N ATOM 821 CA SER A 52 -2.748 8.365 8.352 1.00 0.00 C ATOM 822 C SER A 52 -4.199 8.733 8.045 1.00 0.00 C ATOM 823 O SER A 52 -5.030 7.843 7.857 1.00 0.00 O ATOM 824 CB SER A 52 -1.778 9.311 7.640 1.00 0.00 C ATOM 825 OG SER A 52 -1.800 10.612 8.207 1.00 0.00 O ATOM 0 H SER A 52 -2.205 6.894 6.968 1.00 0.00 H new ATOM 0 HA SER A 52 -2.600 8.460 9.428 1.00 0.00 H new ATOM 0 HB2 SER A 52 -0.768 8.906 7.697 1.00 0.00 H new ATOM 0 HB3 SER A 52 -2.038 9.370 6.583 1.00 0.00 H new ATOM 0 HG SER A 52 -1.168 11.188 7.729 1.00 0.00 H new ATOM 973 N PHE A 62 -14.035 6.178 -1.126 1.00 0.00 N ATOM 974 CA PHE A 62 -13.222 6.561 0.019 1.00 0.00 C ATOM 975 C PHE A 62 -11.827 5.970 -0.137 1.00 0.00 C ATOM 976 O PHE A 62 -11.675 4.814 -0.539 1.00 0.00 O ATOM 977 CB PHE A 62 -13.847 6.054 1.330 1.00 0.00 C ATOM 978 CG PHE A 62 -15.339 6.262 1.457 1.00 0.00 C ATOM 979 CD1 PHE A 62 -15.855 7.351 2.150 1.00 0.00 C ATOM 980 CD2 PHE A 62 -16.226 5.346 0.906 1.00 0.00 C ATOM 981 CE1 PHE A 62 -17.225 7.518 2.287 1.00 0.00 C ATOM 982 CE2 PHE A 62 -17.593 5.513 1.036 1.00 0.00 C ATOM 983 CZ PHE A 62 -18.091 6.598 1.728 1.00 0.00 C ATOM 0 HA PHE A 62 -13.168 7.649 0.060 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -13.636 4.989 1.426 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -13.355 6.553 2.165 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -15.182 8.074 2.586 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -15.843 4.491 0.368 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -17.614 8.366 2.830 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -18.270 4.795 0.596 1.00 0.00 H new ATOM 0 HZ PHE A 62 -19.158 6.728 1.833 1.00 0.00 H new ATOM 993 N TYR A 63 -10.815 6.759 0.172 1.00 0.00 N ATOM 994 CA TYR A 63 -9.436 6.330 0.001 1.00 0.00 C ATOM 995 C TYR A 63 -8.843 5.942 1.349 1.00 0.00 C ATOM 996 O TYR A 63 -9.227 6.488 2.379 1.00 0.00 O ATOM 997 CB TYR A 63 -8.613 7.466 -0.632 1.00 0.00 C ATOM 998 CG TYR A 63 -9.140 7.946 -1.969 1.00 0.00 C ATOM 999 CD1 TYR A 63 -8.601 7.478 -3.162 1.00 0.00 C ATOM 1000 CD2 TYR A 63 -10.174 8.873 -2.039 1.00 0.00 C ATOM 1001 CE1 TYR A 63 -9.078 7.921 -4.384 1.00 0.00 C ATOM 1002 CE2 TYR A 63 -10.655 9.317 -3.256 1.00 0.00 C ATOM 1003 CZ TYR A 63 -10.105 8.838 -4.424 1.00 0.00 C ATOM 1004 OH TYR A 63 -10.579 9.282 -5.637 1.00 0.00 O ATOM 0 H TYR A 63 -10.921 7.703 0.544 1.00 0.00 H new ATOM 0 HA TYR A 63 -9.409 5.462 -0.658 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -8.587 8.309 0.059 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -7.585 7.127 -0.760 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -7.797 6.757 -3.135 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -10.609 9.253 -1.126 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -8.647 7.549 -5.302 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -11.459 10.037 -3.291 1.00 0.00 H new ATOM 0 HH TYR A 63 -11.304 9.925 -5.490 1.00 0.00 H new ATOM 1014 N LEU A 64 -7.932 4.983 1.349 1.00 0.00 N ATOM 1015 CA LEU A 64 -7.204 4.632 2.554 1.00 0.00 C ATOM 1016 C LEU A 64 -5.740 4.406 2.208 1.00 0.00 C ATOM 1017 O LEU A 64 -5.418 3.707 1.243 1.00 0.00 O ATOM 1018 CB LEU A 64 -7.869 3.412 3.216 1.00 0.00 C ATOM 1019 CG LEU A 64 -7.075 2.678 4.296 1.00 0.00 C ATOM 1020 CD1 LEU A 64 -8.012 2.239 5.410 1.00 0.00 C ATOM 1021 CD2 LEU A 64 -6.378 1.469 3.693 1.00 0.00 C ATOM 0 H LEU A 64 -7.680 4.434 0.527 1.00 0.00 H new ATOM 0 HA LEU A 64 -7.237 5.443 3.282 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -8.812 3.739 3.655 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -8.114 2.695 2.432 1.00 0.00 H new ATOM 0 HG LEU A 64 -6.322 3.349 4.708 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -7.443 1.716 6.179 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -8.493 3.114 5.847 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -8.772 1.572 5.004 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -5.814 0.950 4.468 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -7.122 0.793 3.272 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -5.698 1.796 2.906 1.00 0.00 H new ATOM 1033 N LEU A 65 -4.863 5.027 2.989 1.00 0.00 N ATOM 1034 CA LEU A 65 -3.443 5.056 2.687 1.00 0.00 C ATOM 1035 C LEU A 65 -2.648 4.334 3.776 1.00 0.00 C ATOM 1036 O LEU A 65 -2.813 4.606 4.967 1.00 0.00 O ATOM 1037 CB LEU A 65 -2.984 6.519 2.580 1.00 0.00 C ATOM 1038 CG LEU A 65 -1.789 6.805 1.661 1.00 0.00 C ATOM 1039 CD1 LEU A 65 -1.488 8.299 1.637 1.00 0.00 C ATOM 1040 CD2 LEU A 65 -0.546 6.034 2.078 1.00 0.00 C ATOM 0 H LEU A 65 -5.118 5.521 3.844 1.00 0.00 H new ATOM 0 HA LEU A 65 -3.266 4.544 1.741 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -3.828 7.115 2.234 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -2.734 6.870 3.581 1.00 0.00 H new ATOM 0 HG LEU A 65 -2.064 6.470 0.661 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -0.638 8.488 0.981 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -2.359 8.840 1.267 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -1.251 8.639 2.645 1.00 0.00 H new ATOM 0 HD21 LEU A 65 0.273 6.269 1.398 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.267 6.315 3.093 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -0.752 4.964 2.042 1.00 0.00 H new ATOM 1052 N TYR A 66 -1.789 3.422 3.352 1.00 0.00 N ATOM 1053 CA TYR A 66 -0.879 2.718 4.251 1.00 0.00 C ATOM 1054 C TYR A 66 0.557 2.959 3.814 1.00 0.00 C ATOM 1055 O TYR A 66 0.932 2.639 2.688 1.00 0.00 O ATOM 1056 CB TYR A 66 -1.182 1.221 4.274 1.00 0.00 C ATOM 1057 CG TYR A 66 -2.139 0.774 5.362 1.00 0.00 C ATOM 1058 CD1 TYR A 66 -3.492 0.611 5.107 1.00 0.00 C ATOM 1059 CD2 TYR A 66 -1.674 0.467 6.637 1.00 0.00 C ATOM 1060 CE1 TYR A 66 -4.351 0.158 6.086 1.00 0.00 C ATOM 1061 CE2 TYR A 66 -2.534 0.020 7.623 1.00 0.00 C ATOM 1062 CZ TYR A 66 -3.869 -0.134 7.338 1.00 0.00 C ATOM 1063 OH TYR A 66 -4.730 -0.586 8.308 1.00 0.00 O ATOM 0 H TYR A 66 -1.700 3.146 2.374 1.00 0.00 H new ATOM 0 HA TYR A 66 -1.019 3.104 5.261 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -1.597 0.935 3.307 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -0.244 0.678 4.391 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -3.879 0.843 4.126 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -0.623 0.580 6.860 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -5.401 0.033 5.868 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -2.159 -0.206 8.610 1.00 0.00 H new ATOM 0 HH TYR A 66 -4.233 -0.748 9.137 1.00 0.00 H new ATOM 1073 N TYR A 67 1.355 3.543 4.694 1.00 0.00 N ATOM 1074 CA TYR A 67 2.726 3.902 4.342 1.00 0.00 C ATOM 1075 C TYR A 67 3.703 3.585 5.464 1.00 0.00 C ATOM 1076 O TYR A 67 3.307 3.340 6.604 1.00 0.00 O ATOM 1077 CB TYR A 67 2.812 5.393 3.978 1.00 0.00 C ATOM 1078 CG TYR A 67 2.455 6.332 5.108 1.00 0.00 C ATOM 1079 CD1 TYR A 67 1.155 6.788 5.268 1.00 0.00 C ATOM 1080 CD2 TYR A 67 3.420 6.773 6.005 1.00 0.00 C ATOM 1081 CE1 TYR A 67 0.824 7.653 6.289 1.00 0.00 C ATOM 1082 CE2 TYR A 67 3.099 7.637 7.032 1.00 0.00 C ATOM 1083 CZ TYR A 67 1.798 8.075 7.171 1.00 0.00 C ATOM 1084 OH TYR A 67 1.473 8.936 8.194 1.00 0.00 O ATOM 0 H TYR A 67 1.084 3.778 5.649 1.00 0.00 H new ATOM 0 HA TYR A 67 3.007 3.301 3.477 1.00 0.00 H new ATOM 0 HB2 TYR A 67 3.825 5.615 3.643 1.00 0.00 H new ATOM 0 HB3 TYR A 67 2.148 5.588 3.136 1.00 0.00 H new ATOM 0 HD1 TYR A 67 0.389 6.460 4.581 1.00 0.00 H new ATOM 0 HD2 TYR A 67 4.440 6.434 5.897 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -0.193 7.999 6.398 1.00 0.00 H new ATOM 0 HE2 TYR A 67 3.861 7.968 7.722 1.00 0.00 H new ATOM 0 HH TYR A 67 2.274 9.132 8.723 1.00 0.00 H new ATOM 1094 N THR A 68 4.983 3.592 5.123 1.00 0.00 N ATOM 1095 CA THR A 68 6.043 3.391 6.099 1.00 0.00 C ATOM 1096 C THR A 68 7.284 4.178 5.684 1.00 0.00 C ATOM 1097 O THR A 68 7.569 4.324 4.490 1.00 0.00 O ATOM 1098 CB THR A 68 6.399 1.889 6.275 1.00 0.00 C ATOM 1099 OG1 THR A 68 7.372 1.725 7.317 1.00 0.00 O ATOM 1100 CG2 THR A 68 6.933 1.279 4.983 1.00 0.00 C ATOM 0 H THR A 68 5.314 3.736 4.169 1.00 0.00 H new ATOM 0 HA THR A 68 5.680 3.754 7.060 1.00 0.00 H new ATOM 0 HB THR A 68 5.480 1.368 6.544 1.00 0.00 H new ATOM 0 HG1 THR A 68 7.586 0.774 7.418 1.00 0.00 H new ATOM 0 HG21 THR A 68 7.170 0.228 5.148 1.00 0.00 H new ATOM 0 HG22 THR A 68 6.177 1.362 4.202 1.00 0.00 H new ATOM 0 HG23 THR A 68 7.834 1.810 4.675 1.00 0.00 H new ATOM 1108 N GLU A 69 7.993 4.711 6.669 1.00 0.00 N ATOM 1109 CA GLU A 69 9.229 5.438 6.422 1.00 0.00 C ATOM 1110 C GLU A 69 10.376 4.432 6.401 1.00 0.00 C ATOM 1111 O GLU A 69 10.553 3.664 7.348 1.00 0.00 O ATOM 1112 CB GLU A 69 9.421 6.509 7.515 1.00 0.00 C ATOM 1113 CG GLU A 69 10.553 7.500 7.267 1.00 0.00 C ATOM 1114 CD GLU A 69 11.928 6.932 7.542 1.00 0.00 C ATOM 1115 OE1 GLU A 69 12.194 6.549 8.698 1.00 0.00 O ATOM 1116 OE2 GLU A 69 12.757 6.897 6.613 1.00 0.00 O ATOM 0 H GLU A 69 7.731 4.653 7.653 1.00 0.00 H new ATOM 0 HA GLU A 69 9.199 5.954 5.462 1.00 0.00 H new ATOM 0 HB2 GLU A 69 8.490 7.066 7.622 1.00 0.00 H new ATOM 0 HB3 GLU A 69 9.602 6.006 8.465 1.00 0.00 H new ATOM 0 HG2 GLU A 69 10.509 7.837 6.231 1.00 0.00 H new ATOM 0 HG3 GLU A 69 10.400 8.378 7.895 1.00 0.00 H new ATOM 1123 N PHE A 70 11.132 4.423 5.314 1.00 0.00 N ATOM 1124 CA PHE A 70 12.101 3.364 5.070 1.00 0.00 C ATOM 1125 C PHE A 70 13.333 3.909 4.351 1.00 0.00 C ATOM 1126 O PHE A 70 13.297 5.004 3.793 1.00 0.00 O ATOM 1127 CB PHE A 70 11.456 2.218 4.267 1.00 0.00 C ATOM 1128 CG PHE A 70 11.005 2.582 2.870 1.00 0.00 C ATOM 1129 CD1 PHE A 70 11.052 1.642 1.861 1.00 0.00 C ATOM 1130 CD2 PHE A 70 10.536 3.847 2.569 1.00 0.00 C ATOM 1131 CE1 PHE A 70 10.646 1.950 0.576 1.00 0.00 C ATOM 1132 CE2 PHE A 70 10.128 4.165 1.290 1.00 0.00 C ATOM 1133 CZ PHE A 70 10.183 3.217 0.287 1.00 0.00 C ATOM 0 H PHE A 70 11.094 5.137 4.586 1.00 0.00 H new ATOM 0 HA PHE A 70 12.425 2.967 6.032 1.00 0.00 H new ATOM 0 HB2 PHE A 70 12.170 1.398 4.198 1.00 0.00 H new ATOM 0 HB3 PHE A 70 10.596 1.846 4.823 1.00 0.00 H new ATOM 0 HD1 PHE A 70 11.413 0.648 2.079 1.00 0.00 H new ATOM 0 HD2 PHE A 70 10.488 4.596 3.345 1.00 0.00 H new ATOM 0 HE1 PHE A 70 10.691 1.200 -0.200 1.00 0.00 H new ATOM 0 HE2 PHE A 70 9.764 5.158 1.072 1.00 0.00 H new ATOM 0 HZ PHE A 70 9.866 3.466 -0.715 1.00 0.00 H new ATOM 1143 N THR A 71 14.414 3.143 4.368 1.00 0.00 N ATOM 1144 CA THR A 71 15.613 3.482 3.615 1.00 0.00 C ATOM 1145 C THR A 71 15.966 2.344 2.647 1.00 0.00 C ATOM 1146 O THR A 71 16.653 1.393 3.025 1.00 0.00 O ATOM 1147 CB THR A 71 16.806 3.763 4.556 1.00 0.00 C ATOM 1148 OG1 THR A 71 16.475 4.833 5.457 1.00 0.00 O ATOM 1149 CG2 THR A 71 18.055 4.145 3.769 1.00 0.00 C ATOM 0 H THR A 71 14.485 2.275 4.900 1.00 0.00 H new ATOM 0 HA THR A 71 15.409 4.390 3.047 1.00 0.00 H new ATOM 0 HB THR A 71 17.012 2.850 5.115 1.00 0.00 H new ATOM 0 HG1 THR A 71 17.234 5.006 6.052 1.00 0.00 H new ATOM 0 HG21 THR A 71 18.876 4.336 4.460 1.00 0.00 H new ATOM 0 HG22 THR A 71 18.327 3.329 3.099 1.00 0.00 H new ATOM 0 HG23 THR A 71 17.856 5.043 3.184 1.00 0.00 H new ATOM 1157 N PRO A 72 15.447 2.405 1.401 1.00 0.00 N ATOM 1158 CA PRO A 72 15.719 1.402 0.356 1.00 0.00 C ATOM 1159 C PRO A 72 17.202 1.106 0.158 1.00 0.00 C ATOM 1160 O PRO A 72 18.057 1.988 0.272 1.00 0.00 O ATOM 1161 CB PRO A 72 15.128 2.033 -0.922 1.00 0.00 C ATOM 1162 CG PRO A 72 14.792 3.444 -0.559 1.00 0.00 C ATOM 1163 CD PRO A 72 14.516 3.431 0.914 1.00 0.00 C ATOM 0 HA PRO A 72 15.284 0.439 0.624 1.00 0.00 H new ATOM 0 HB2 PRO A 72 15.845 2.000 -1.742 1.00 0.00 H new ATOM 0 HB3 PRO A 72 14.241 1.492 -1.252 1.00 0.00 H new ATOM 0 HG2 PRO A 72 15.617 4.116 -0.797 1.00 0.00 H new ATOM 0 HG3 PRO A 72 13.924 3.795 -1.117 1.00 0.00 H new ATOM 0 HD2 PRO A 72 14.706 4.402 1.371 1.00 0.00 H new ATOM 0 HD3 PRO A 72 13.479 3.174 1.131 1.00 0.00 H new ATOM 1171 N THR A 73 17.480 -0.152 -0.147 1.00 0.00 N ATOM 1172 CA THR A 73 18.832 -0.638 -0.367 1.00 0.00 C ATOM 1173 C THR A 73 18.890 -1.362 -1.709 1.00 0.00 C ATOM 1174 O THR A 73 17.893 -1.405 -2.431 1.00 0.00 O ATOM 1175 CB THR A 73 19.305 -1.590 0.756 1.00 0.00 C ATOM 1176 OG1 THR A 73 18.621 -2.839 0.664 1.00 0.00 O ATOM 1177 CG2 THR A 73 19.059 -0.981 2.127 1.00 0.00 C ATOM 0 H THR A 73 16.765 -0.872 -0.250 1.00 0.00 H new ATOM 0 HA THR A 73 19.500 0.223 -0.365 1.00 0.00 H new ATOM 0 HB THR A 73 20.376 -1.749 0.630 1.00 0.00 H new ATOM 0 HG1 THR A 73 17.815 -2.731 0.117 1.00 0.00 H new ATOM 0 HG21 THR A 73 19.401 -1.671 2.898 1.00 0.00 H new ATOM 0 HG22 THR A 73 19.606 -0.042 2.212 1.00 0.00 H new ATOM 0 HG23 THR A 73 17.993 -0.792 2.255 1.00 0.00 H new ATOM 1185 N GLU A 74 20.035 -1.926 -2.055 1.00 0.00 N ATOM 1186 CA GLU A 74 20.161 -2.617 -3.330 1.00 0.00 C ATOM 1187 C GLU A 74 19.554 -4.032 -3.224 1.00 0.00 C ATOM 1188 O GLU A 74 18.977 -4.557 -4.178 1.00 0.00 O ATOM 1189 CB GLU A 74 21.635 -2.728 -3.711 1.00 0.00 C ATOM 1190 CG GLU A 74 21.905 -2.620 -5.187 1.00 0.00 C ATOM 1191 CD GLU A 74 22.036 -1.187 -5.658 1.00 0.00 C ATOM 1192 OE1 GLU A 74 21.008 -0.561 -5.988 1.00 0.00 O ATOM 1193 OE2 GLU A 74 23.177 -0.687 -5.726 1.00 0.00 O ATOM 0 H GLU A 74 20.879 -1.921 -1.482 1.00 0.00 H new ATOM 0 HA GLU A 74 19.627 -2.051 -4.094 1.00 0.00 H new ATOM 0 HB2 GLU A 74 22.191 -1.946 -3.194 1.00 0.00 H new ATOM 0 HB3 GLU A 74 22.020 -3.683 -3.353 1.00 0.00 H new ATOM 0 HG2 GLU A 74 22.821 -3.160 -5.424 1.00 0.00 H new ATOM 0 HG3 GLU A 74 21.098 -3.105 -5.736 1.00 0.00 H new ATOM 1200 N LYS A 75 19.695 -4.627 -2.035 1.00 0.00 N ATOM 1201 CA LYS A 75 19.336 -6.007 -1.776 1.00 0.00 C ATOM 1202 C LYS A 75 17.913 -6.187 -1.266 1.00 0.00 C ATOM 1203 O LYS A 75 17.342 -7.270 -1.419 1.00 0.00 O ATOM 1204 CB LYS A 75 20.297 -6.595 -0.744 1.00 0.00 C ATOM 1205 CG LYS A 75 21.709 -6.726 -1.279 1.00 0.00 C ATOM 1206 CD LYS A 75 21.650 -7.415 -2.617 1.00 0.00 C ATOM 1207 CE LYS A 75 22.935 -7.269 -3.415 1.00 0.00 C ATOM 1208 NZ LYS A 75 22.794 -7.846 -4.777 1.00 0.00 N ATOM 0 H LYS A 75 20.069 -4.146 -1.217 1.00 0.00 H new ATOM 0 HA LYS A 75 19.403 -6.524 -2.733 1.00 0.00 H new ATOM 0 HB2 LYS A 75 20.305 -5.962 0.143 1.00 0.00 H new ATOM 0 HB3 LYS A 75 19.937 -7.576 -0.433 1.00 0.00 H new ATOM 0 HG2 LYS A 75 22.169 -5.743 -1.379 1.00 0.00 H new ATOM 0 HG3 LYS A 75 22.326 -7.298 -0.585 1.00 0.00 H new ATOM 0 HD2 LYS A 75 21.441 -8.474 -2.466 1.00 0.00 H new ATOM 0 HD3 LYS A 75 20.821 -7.006 -3.195 1.00 0.00 H new ATOM 0 HE2 LYS A 75 23.201 -6.215 -3.490 1.00 0.00 H new ATOM 0 HE3 LYS A 75 23.750 -7.767 -2.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 23.687 -7.731 -5.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 22.564 -8.858 -4.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 22.032 -7.354 -5.285 1.00 0.00 H new ATOM 1222 N ASP A 76 17.328 -5.166 -0.655 1.00 0.00 N ATOM 1223 CA ASP A 76 16.034 -5.369 -0.015 1.00 0.00 C ATOM 1224 C ASP A 76 14.887 -5.002 -0.958 1.00 0.00 C ATOM 1225 O ASP A 76 15.100 -4.414 -2.020 1.00 0.00 O ATOM 1226 CB ASP A 76 15.935 -4.620 1.332 1.00 0.00 C ATOM 1227 CG ASP A 76 15.761 -3.121 1.225 1.00 0.00 C ATOM 1228 OD1 ASP A 76 15.262 -2.528 2.206 1.00 0.00 O ATOM 1229 OD2 ASP A 76 16.136 -2.528 0.200 1.00 0.00 O ATOM 0 H ASP A 76 17.710 -4.222 -0.588 1.00 0.00 H new ATOM 0 HA ASP A 76 15.943 -6.432 0.210 1.00 0.00 H new ATOM 0 HB2 ASP A 76 15.096 -5.028 1.895 1.00 0.00 H new ATOM 0 HB3 ASP A 76 16.836 -4.825 1.910 1.00 0.00 H new ATOM 1234 N GLU A 77 13.678 -5.380 -0.568 1.00 0.00 N ATOM 1235 CA GLU A 77 12.512 -5.259 -1.431 1.00 0.00 C ATOM 1236 C GLU A 77 11.265 -5.108 -0.585 1.00 0.00 C ATOM 1237 O GLU A 77 11.201 -5.656 0.512 1.00 0.00 O ATOM 1238 CB GLU A 77 12.395 -6.506 -2.312 1.00 0.00 C ATOM 1239 CG GLU A 77 11.195 -6.505 -3.254 1.00 0.00 C ATOM 1240 CD GLU A 77 11.318 -5.438 -4.316 1.00 0.00 C ATOM 1241 OE1 GLU A 77 11.890 -5.730 -5.389 1.00 0.00 O ATOM 1242 OE2 GLU A 77 10.869 -4.305 -4.070 1.00 0.00 O ATOM 0 H GLU A 77 13.478 -5.777 0.350 1.00 0.00 H new ATOM 0 HA GLU A 77 12.621 -4.380 -2.066 1.00 0.00 H new ATOM 0 HB2 GLU A 77 13.305 -6.604 -2.904 1.00 0.00 H new ATOM 0 HB3 GLU A 77 12.336 -7.385 -1.670 1.00 0.00 H new ATOM 0 HG2 GLU A 77 11.105 -7.482 -3.729 1.00 0.00 H new ATOM 0 HG3 GLU A 77 10.282 -6.344 -2.680 1.00 0.00 H new ATOM 1249 N TYR A 78 10.279 -4.372 -1.071 1.00 0.00 N ATOM 1250 CA TYR A 78 9.055 -4.198 -0.317 1.00 0.00 C ATOM 1251 C TYR A 78 7.841 -4.472 -1.188 1.00 0.00 C ATOM 1252 O TYR A 78 7.902 -4.398 -2.412 1.00 0.00 O ATOM 1253 CB TYR A 78 8.960 -2.794 0.302 1.00 0.00 C ATOM 1254 CG TYR A 78 10.285 -2.181 0.714 1.00 0.00 C ATOM 1255 CD1 TYR A 78 10.655 -2.117 2.051 1.00 0.00 C ATOM 1256 CD2 TYR A 78 11.153 -1.647 -0.233 1.00 0.00 C ATOM 1257 CE1 TYR A 78 11.852 -1.540 2.429 1.00 0.00 C ATOM 1258 CE2 TYR A 78 12.349 -1.077 0.141 1.00 0.00 C ATOM 1259 CZ TYR A 78 12.693 -1.026 1.470 1.00 0.00 C ATOM 1260 OH TYR A 78 13.871 -0.441 1.846 1.00 0.00 O ATOM 0 H TYR A 78 10.303 -3.893 -1.971 1.00 0.00 H new ATOM 0 HA TYR A 78 9.074 -4.921 0.499 1.00 0.00 H new ATOM 0 HB2 TYR A 78 8.477 -2.130 -0.415 1.00 0.00 H new ATOM 0 HB3 TYR A 78 8.312 -2.843 1.177 1.00 0.00 H new ATOM 0 HD1 TYR A 78 9.998 -2.524 2.806 1.00 0.00 H new ATOM 0 HD2 TYR A 78 10.884 -1.680 -1.278 1.00 0.00 H new ATOM 0 HE1 TYR A 78 12.126 -1.493 3.473 1.00 0.00 H new ATOM 0 HE2 TYR A 78 13.014 -0.672 -0.607 1.00 0.00 H new ATOM 0 HH TYR A 78 14.575 -1.121 1.889 1.00 0.00 H new ATOM 1270 N ALA A 79 6.740 -4.807 -0.541 1.00 0.00 N ATOM 1271 CA ALA A 79 5.515 -5.180 -1.252 1.00 0.00 C ATOM 1272 C ALA A 79 4.273 -4.685 -0.521 1.00 0.00 C ATOM 1273 O ALA A 79 4.349 -4.272 0.625 1.00 0.00 O ATOM 1274 CB ALA A 79 5.457 -6.688 -1.459 1.00 0.00 C ATOM 0 H ALA A 79 6.661 -4.831 0.476 1.00 0.00 H new ATOM 0 HA ALA A 79 5.535 -4.697 -2.229 1.00 0.00 H new ATOM 0 HB1 ALA A 79 4.540 -6.948 -1.989 1.00 0.00 H new ATOM 0 HB2 ALA A 79 6.318 -7.008 -2.046 1.00 0.00 H new ATOM 0 HB3 ALA A 79 5.471 -7.189 -0.491 1.00 0.00 H new ATOM 1280 N CYS A 80 3.147 -4.669 -1.210 1.00 0.00 N ATOM 1281 CA CYS A 80 1.872 -4.292 -0.613 1.00 0.00 C ATOM 1282 C CYS A 80 0.934 -5.495 -0.551 1.00 0.00 C ATOM 1283 O CYS A 80 0.794 -6.222 -1.532 1.00 0.00 O ATOM 1284 CB CYS A 80 1.216 -3.176 -1.428 1.00 0.00 C ATOM 1285 SG CYS A 80 1.664 -1.495 -0.900 1.00 0.00 S ATOM 0 H CYS A 80 3.087 -4.916 -2.198 1.00 0.00 H new ATOM 0 HA CYS A 80 2.061 -3.936 0.400 1.00 0.00 H new ATOM 0 HB2 CYS A 80 1.490 -3.299 -2.476 1.00 0.00 H new ATOM 0 HB3 CYS A 80 0.133 -3.286 -1.366 1.00 0.00 H new ATOM 1290 N ARG A 81 0.308 -5.703 0.599 1.00 0.00 N ATOM 1291 CA ARG A 81 -0.658 -6.784 0.786 1.00 0.00 C ATOM 1292 C ARG A 81 -2.009 -6.197 1.170 1.00 0.00 C ATOM 1293 O ARG A 81 -2.062 -5.268 1.962 1.00 0.00 O ATOM 1294 CB ARG A 81 -0.205 -7.704 1.919 1.00 0.00 C ATOM 1295 CG ARG A 81 -0.889 -9.062 1.936 1.00 0.00 C ATOM 1296 CD ARG A 81 -0.420 -9.894 3.122 1.00 0.00 C ATOM 1297 NE ARG A 81 0.994 -10.246 3.025 1.00 0.00 N ATOM 1298 CZ ARG A 81 1.520 -11.358 3.539 1.00 0.00 C ATOM 1299 NH1 ARG A 81 0.741 -12.247 4.145 1.00 0.00 N ATOM 1300 NH2 ARG A 81 2.823 -11.583 3.446 1.00 0.00 N ATOM 0 H ARG A 81 0.453 -5.129 1.430 1.00 0.00 H new ATOM 0 HA ARG A 81 -0.733 -7.346 -0.145 1.00 0.00 H new ATOM 0 HB2 ARG A 81 0.872 -7.854 1.841 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -0.389 -7.206 2.871 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -1.970 -8.928 1.986 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -0.676 -9.592 1.008 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -0.592 -9.338 4.044 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -1.016 -10.805 3.183 1.00 0.00 H new ATOM 0 HE ARG A 81 1.616 -9.603 2.535 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -0.263 -12.080 4.218 1.00 0.00 H new ATOM 0 HH12 ARG A 81 1.146 -13.097 4.537 1.00 0.00 H new ATOM 0 HH21 ARG A 81 3.426 -10.905 2.980 1.00 0.00 H new ATOM 0 HH22 ARG A 81 3.223 -12.435 3.840 1.00 0.00 H new ATOM 1314 N VAL A 82 -3.098 -6.722 0.622 1.00 0.00 N ATOM 1315 CA VAL A 82 -4.428 -6.285 1.054 1.00 0.00 C ATOM 1316 C VAL A 82 -5.346 -7.471 1.282 1.00 0.00 C ATOM 1317 O VAL A 82 -5.266 -8.484 0.586 1.00 0.00 O ATOM 1318 CB VAL A 82 -5.106 -5.300 0.076 1.00 0.00 C ATOM 1319 CG1 VAL A 82 -4.102 -4.326 -0.475 1.00 0.00 C ATOM 1320 CG2 VAL A 82 -5.836 -6.015 -1.043 1.00 0.00 C ATOM 0 H VAL A 82 -3.094 -7.436 -0.107 1.00 0.00 H new ATOM 0 HA VAL A 82 -4.264 -5.752 1.991 1.00 0.00 H new ATOM 0 HB VAL A 82 -5.855 -4.746 0.642 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -4.599 -3.641 -1.162 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -3.657 -3.760 0.343 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -3.321 -4.870 -1.007 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -6.296 -5.281 -1.704 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -5.129 -6.621 -1.610 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -6.608 -6.658 -0.621 1.00 0.00 H new ATOM 1330 N ASN A 83 -6.192 -7.335 2.281 1.00 0.00 N ATOM 1331 CA ASN A 83 -7.150 -8.377 2.640 1.00 0.00 C ATOM 1332 C ASN A 83 -8.585 -7.881 2.476 1.00 0.00 C ATOM 1333 O ASN A 83 -8.982 -6.915 3.128 1.00 0.00 O ATOM 1334 CB ASN A 83 -6.949 -8.805 4.108 1.00 0.00 C ATOM 1335 CG ASN A 83 -5.545 -9.297 4.415 1.00 0.00 C ATOM 1336 OD1 ASN A 83 -5.274 -10.495 4.389 1.00 0.00 O ATOM 1337 ND2 ASN A 83 -4.644 -8.380 4.731 1.00 0.00 N ATOM 0 H ASN A 83 -6.241 -6.504 2.870 1.00 0.00 H new ATOM 0 HA ASN A 83 -6.980 -9.223 1.974 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -7.178 -7.961 4.758 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -7.661 -9.594 4.348 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -3.691 -8.660 4.963 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -4.903 -7.393 4.743 1.00 0.00 H new ATOM 1344 N HIS A 84 -9.361 -8.521 1.599 1.00 0.00 N ATOM 1345 CA HIS A 84 -10.779 -8.254 1.507 1.00 0.00 C ATOM 1346 C HIS A 84 -11.483 -9.554 1.154 1.00 0.00 C ATOM 1347 O HIS A 84 -10.848 -10.479 0.640 1.00 0.00 O ATOM 1348 CB HIS A 84 -11.054 -7.201 0.435 1.00 0.00 C ATOM 1349 CG HIS A 84 -12.328 -6.444 0.644 1.00 0.00 C ATOM 1350 ND1 HIS A 84 -13.424 -6.661 -0.156 1.00 0.00 N ATOM 1351 CD2 HIS A 84 -12.618 -5.474 1.549 1.00 0.00 C ATOM 1352 CE1 HIS A 84 -14.353 -5.821 0.273 1.00 0.00 C ATOM 1353 NE2 HIS A 84 -13.909 -5.085 1.300 1.00 0.00 N ATOM 0 H HIS A 84 -9.021 -9.227 0.946 1.00 0.00 H new ATOM 0 HA HIS A 84 -11.148 -7.871 2.458 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -10.223 -6.496 0.410 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -11.088 -7.688 -0.539 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -11.962 -5.086 2.314 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -15.343 -5.740 -0.151 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -14.433 -4.369 1.803 1.00 0.00 H new ATOM 1361 N VAL A 85 -12.781 -9.629 1.403 1.00 0.00 N ATOM 1362 CA VAL A 85 -13.525 -10.856 1.152 1.00 0.00 C ATOM 1363 C VAL A 85 -13.598 -11.154 -0.346 1.00 0.00 C ATOM 1364 O VAL A 85 -13.734 -12.307 -0.760 1.00 0.00 O ATOM 1365 CB VAL A 85 -14.954 -10.779 1.744 1.00 0.00 C ATOM 1366 CG1 VAL A 85 -15.792 -9.719 1.038 1.00 0.00 C ATOM 1367 CG2 VAL A 85 -15.636 -12.135 1.681 1.00 0.00 C ATOM 0 H VAL A 85 -13.339 -8.861 1.776 1.00 0.00 H new ATOM 0 HA VAL A 85 -12.990 -11.667 1.646 1.00 0.00 H new ATOM 0 HB VAL A 85 -14.864 -10.487 2.790 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -16.789 -9.691 1.478 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -15.317 -8.744 1.152 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -15.870 -9.963 -0.022 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -16.638 -12.058 2.102 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -15.702 -12.461 0.643 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -15.057 -12.860 2.253 1.00 0.00 H new ATOM 1377 N THR A 86 -13.475 -10.108 -1.152 1.00 0.00 N ATOM 1378 CA THR A 86 -13.643 -10.207 -2.591 1.00 0.00 C ATOM 1379 C THR A 86 -12.515 -10.996 -3.240 1.00 0.00 C ATOM 1380 O THR A 86 -12.744 -11.856 -4.092 1.00 0.00 O ATOM 1381 CB THR A 86 -13.666 -8.801 -3.204 1.00 0.00 C ATOM 1382 OG1 THR A 86 -12.523 -8.069 -2.749 1.00 0.00 O ATOM 1383 CG2 THR A 86 -14.919 -8.037 -2.818 1.00 0.00 C ATOM 0 H THR A 86 -13.256 -9.167 -0.824 1.00 0.00 H new ATOM 0 HA THR A 86 -14.583 -10.728 -2.775 1.00 0.00 H new ATOM 0 HB THR A 86 -13.652 -8.911 -4.288 1.00 0.00 H new ATOM 0 HG1 THR A 86 -12.747 -7.594 -1.922 1.00 0.00 H new ATOM 0 HG21 THR A 86 -14.896 -7.047 -3.273 1.00 0.00 H new ATOM 0 HG22 THR A 86 -15.798 -8.577 -3.170 1.00 0.00 H new ATOM 0 HG23 THR A 86 -14.965 -7.937 -1.734 1.00 0.00 H new ATOM 1391 N LEU A 87 -11.299 -10.684 -2.826 1.00 0.00 N ATOM 1392 CA LEU A 87 -10.113 -11.264 -3.431 1.00 0.00 C ATOM 1393 C LEU A 87 -10.034 -12.765 -3.188 1.00 0.00 C ATOM 1394 O LEU A 87 -9.323 -13.464 -3.905 1.00 0.00 O ATOM 1395 CB LEU A 87 -8.848 -10.567 -2.914 1.00 0.00 C ATOM 1396 CG LEU A 87 -8.685 -9.110 -3.357 1.00 0.00 C ATOM 1397 CD1 LEU A 87 -7.339 -8.560 -2.910 1.00 0.00 C ATOM 1398 CD2 LEU A 87 -8.831 -8.993 -4.866 1.00 0.00 C ATOM 0 H LEU A 87 -11.107 -10.028 -2.069 1.00 0.00 H new ATOM 0 HA LEU A 87 -10.184 -11.108 -4.508 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -8.852 -10.602 -1.825 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -7.978 -11.132 -3.248 1.00 0.00 H new ATOM 0 HG LEU A 87 -9.471 -8.520 -2.886 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -7.243 -7.524 -3.235 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -7.269 -8.608 -1.823 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -6.539 -9.154 -3.351 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -8.712 -7.951 -5.163 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -8.067 -9.599 -5.354 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -9.818 -9.345 -5.164 1.00 0.00 H new ATOM 1410 N SER A 88 -10.768 -13.238 -2.165 1.00 0.00 N ATOM 1411 CA SER A 88 -10.790 -14.649 -1.725 1.00 0.00 C ATOM 1412 C SER A 88 -9.428 -15.088 -1.183 1.00 0.00 C ATOM 1413 O SER A 88 -9.304 -16.117 -0.517 1.00 0.00 O ATOM 1414 CB SER A 88 -11.277 -15.602 -2.839 1.00 0.00 C ATOM 1415 OG SER A 88 -10.329 -15.762 -3.888 1.00 0.00 O ATOM 0 H SER A 88 -11.377 -12.639 -1.607 1.00 0.00 H new ATOM 0 HA SER A 88 -11.512 -14.711 -0.911 1.00 0.00 H new ATOM 0 HB2 SER A 88 -11.498 -16.577 -2.405 1.00 0.00 H new ATOM 0 HB3 SER A 88 -12.209 -15.220 -3.255 1.00 0.00 H new ATOM 0 HG SER A 88 -9.624 -15.088 -3.797 1.00 0.00 H new ATOM 1421 N GLN A 89 -8.431 -14.274 -1.463 1.00 0.00 N ATOM 1422 CA GLN A 89 -7.067 -14.491 -1.043 1.00 0.00 C ATOM 1423 C GLN A 89 -6.351 -13.151 -1.154 1.00 0.00 C ATOM 1424 O GLN A 89 -6.426 -12.501 -2.199 1.00 0.00 O ATOM 1425 CB GLN A 89 -6.393 -15.559 -1.950 1.00 0.00 C ATOM 1426 CG GLN A 89 -6.522 -15.261 -3.439 1.00 0.00 C ATOM 1427 CD GLN A 89 -5.943 -16.359 -4.301 1.00 0.00 C ATOM 1428 OE1 GLN A 89 -4.979 -17.025 -3.922 1.00 0.00 O ATOM 1429 NE2 GLN A 89 -6.540 -16.567 -5.461 1.00 0.00 N ATOM 0 H GLN A 89 -8.554 -13.419 -2.005 1.00 0.00 H new ATOM 0 HA GLN A 89 -7.022 -14.862 -0.019 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -5.336 -15.629 -1.692 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -6.837 -16.533 -1.743 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -7.574 -15.124 -3.689 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -6.016 -14.322 -3.664 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -7.336 -15.991 -5.735 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -6.205 -17.303 -6.082 1.00 0.00 H new ATOM 1438 N PRO A 90 -5.711 -12.684 -0.066 1.00 0.00 N ATOM 1439 CA PRO A 90 -5.033 -11.380 -0.043 1.00 0.00 C ATOM 1440 C PRO A 90 -4.144 -11.139 -1.251 1.00 0.00 C ATOM 1441 O PRO A 90 -3.593 -12.072 -1.842 1.00 0.00 O ATOM 1442 CB PRO A 90 -4.195 -11.455 1.220 1.00 0.00 C ATOM 1443 CG PRO A 90 -5.003 -12.305 2.128 1.00 0.00 C ATOM 1444 CD PRO A 90 -5.613 -13.368 1.248 1.00 0.00 C ATOM 0 HA PRO A 90 -5.748 -10.558 -0.066 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -3.216 -11.894 1.026 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -4.022 -10.466 1.645 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -4.382 -12.749 2.906 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -5.774 -11.721 2.630 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -4.987 -14.259 1.195 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -6.590 -13.686 1.614 1.00 0.00 H new ATOM 1452 N LYS A 91 -3.972 -9.876 -1.586 1.00 0.00 N ATOM 1453 CA LYS A 91 -3.292 -9.510 -2.802 1.00 0.00 C ATOM 1454 C LYS A 91 -1.956 -8.871 -2.491 1.00 0.00 C ATOM 1455 O LYS A 91 -1.887 -7.936 -1.696 1.00 0.00 O ATOM 1456 CB LYS A 91 -4.126 -8.535 -3.616 1.00 0.00 C ATOM 1457 CG LYS A 91 -3.516 -8.256 -4.968 1.00 0.00 C ATOM 1458 CD LYS A 91 -3.546 -9.497 -5.835 1.00 0.00 C ATOM 1459 CE LYS A 91 -4.963 -9.849 -6.275 1.00 0.00 C ATOM 1460 NZ LYS A 91 -5.602 -8.748 -7.051 1.00 0.00 N ATOM 0 H LYS A 91 -4.297 -9.087 -1.028 1.00 0.00 H new ATOM 0 HA LYS A 91 -3.137 -10.421 -3.380 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -5.129 -8.940 -3.748 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -4.229 -7.600 -3.066 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -4.061 -7.450 -5.459 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -2.487 -7.917 -4.845 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -2.921 -9.341 -6.714 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -3.118 -10.335 -5.285 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -4.939 -10.753 -6.883 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -5.569 -10.072 -5.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -6.404 -9.126 -7.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -5.942 -8.014 -6.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -4.906 -8.334 -7.704 1.00 0.00 H new ATOM 1474 N ILE A 92 -0.903 -9.382 -3.098 1.00 0.00 N ATOM 1475 CA ILE A 92 0.418 -8.799 -2.933 1.00 0.00 C ATOM 1476 C ILE A 92 0.910 -8.201 -4.240 1.00 0.00 C ATOM 1477 O ILE A 92 0.898 -8.855 -5.284 1.00 0.00 O ATOM 1478 CB ILE A 92 1.476 -9.815 -2.436 1.00 0.00 C ATOM 1479 CG1 ILE A 92 1.165 -10.316 -1.016 1.00 0.00 C ATOM 1480 CG2 ILE A 92 2.873 -9.197 -2.479 1.00 0.00 C ATOM 1481 CD1 ILE A 92 0.078 -11.364 -0.939 1.00 0.00 C ATOM 0 H ILE A 92 -0.934 -10.198 -3.709 1.00 0.00 H new ATOM 0 HA ILE A 92 0.304 -8.026 -2.173 1.00 0.00 H new ATOM 0 HB ILE A 92 1.442 -10.673 -3.107 1.00 0.00 H new ATOM 0 HG12 ILE A 92 2.077 -10.726 -0.582 1.00 0.00 H new ATOM 0 HG13 ILE A 92 0.874 -9.465 -0.401 1.00 0.00 H new ATOM 0 HG21 ILE A 92 3.604 -9.925 -2.126 1.00 0.00 H new ATOM 0 HG22 ILE A 92 3.112 -8.909 -3.503 1.00 0.00 H new ATOM 0 HG23 ILE A 92 2.901 -8.315 -1.839 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -0.072 -11.657 0.100 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -0.850 -10.956 -1.339 1.00 0.00 H new ATOM 0 HD13 ILE A 92 0.372 -12.236 -1.523 1.00 0.00 H new ATOM 1493 N VAL A 93 1.327 -6.956 -4.167 1.00 0.00 N ATOM 1494 CA VAL A 93 1.949 -6.278 -5.281 1.00 0.00 C ATOM 1495 C VAL A 93 3.253 -5.656 -4.807 1.00 0.00 C ATOM 1496 O VAL A 93 3.278 -4.929 -3.819 1.00 0.00 O ATOM 1497 CB VAL A 93 1.031 -5.186 -5.881 1.00 0.00 C ATOM 1498 CG1 VAL A 93 1.728 -4.453 -7.019 1.00 0.00 C ATOM 1499 CG2 VAL A 93 -0.276 -5.792 -6.369 1.00 0.00 C ATOM 0 H VAL A 93 1.243 -6.383 -3.327 1.00 0.00 H new ATOM 0 HA VAL A 93 2.137 -7.009 -6.068 1.00 0.00 H new ATOM 0 HB VAL A 93 0.809 -4.466 -5.094 1.00 0.00 H new ATOM 0 HG11 VAL A 93 1.062 -3.691 -7.423 1.00 0.00 H new ATOM 0 HG12 VAL A 93 2.636 -3.980 -6.645 1.00 0.00 H new ATOM 0 HG13 VAL A 93 1.986 -5.163 -7.805 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -0.907 -5.008 -6.787 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -0.067 -6.537 -7.136 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -0.792 -6.266 -5.534 1.00 0.00 H new ATOM 1509 N LYS A 94 4.328 -5.958 -5.505 1.00 0.00 N ATOM 1510 CA LYS A 94 5.642 -5.479 -5.111 1.00 0.00 C ATOM 1511 C LYS A 94 5.795 -4.001 -5.441 1.00 0.00 C ATOM 1512 O LYS A 94 5.172 -3.495 -6.376 1.00 0.00 O ATOM 1513 CB LYS A 94 6.746 -6.264 -5.798 1.00 0.00 C ATOM 1514 CG LYS A 94 6.960 -7.667 -5.258 1.00 0.00 C ATOM 1515 CD LYS A 94 8.218 -8.273 -5.852 1.00 0.00 C ATOM 1516 CE LYS A 94 8.595 -9.586 -5.183 1.00 0.00 C ATOM 1517 NZ LYS A 94 7.583 -10.646 -5.423 1.00 0.00 N ATOM 0 H LYS A 94 4.321 -6.532 -6.348 1.00 0.00 H new ATOM 0 HA LYS A 94 5.730 -5.622 -4.034 1.00 0.00 H new ATOM 0 HB2 LYS A 94 6.518 -6.330 -6.862 1.00 0.00 H new ATOM 0 HB3 LYS A 94 7.679 -5.708 -5.706 1.00 0.00 H new ATOM 0 HG2 LYS A 94 7.040 -7.638 -4.171 1.00 0.00 H new ATOM 0 HG3 LYS A 94 6.099 -8.291 -5.497 1.00 0.00 H new ATOM 0 HD2 LYS A 94 8.070 -8.440 -6.919 1.00 0.00 H new ATOM 0 HD3 LYS A 94 9.042 -7.566 -5.752 1.00 0.00 H new ATOM 0 HE2 LYS A 94 9.563 -9.918 -5.558 1.00 0.00 H new ATOM 0 HE3 LYS A 94 8.706 -9.427 -4.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 7.880 -11.523 -4.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 6.664 -10.341 -5.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 7.495 -10.817 -6.445 1.00 0.00 H new ATOM 1531 N TRP A 95 6.614 -3.313 -4.667 1.00 0.00 N ATOM 1532 CA TRP A 95 6.880 -1.908 -4.903 1.00 0.00 C ATOM 1533 C TRP A 95 7.942 -1.760 -5.978 1.00 0.00 C ATOM 1534 O TRP A 95 9.063 -2.241 -5.830 1.00 0.00 O ATOM 1535 CB TRP A 95 7.339 -1.214 -3.612 1.00 0.00 C ATOM 1536 CG TRP A 95 7.704 0.221 -3.823 1.00 0.00 C ATOM 1537 CD1 TRP A 95 6.864 1.233 -4.176 1.00 0.00 C ATOM 1538 CD2 TRP A 95 9.007 0.801 -3.708 1.00 0.00 C ATOM 1539 NE1 TRP A 95 7.562 2.407 -4.292 1.00 0.00 N ATOM 1540 CE2 TRP A 95 8.880 2.171 -4.004 1.00 0.00 C ATOM 1541 CE3 TRP A 95 10.266 0.294 -3.380 1.00 0.00 C ATOM 1542 CZ2 TRP A 95 9.965 3.039 -3.985 1.00 0.00 C ATOM 1543 CZ3 TRP A 95 11.347 1.154 -3.363 1.00 0.00 C ATOM 1544 CH2 TRP A 95 11.189 2.518 -3.662 1.00 0.00 C ATOM 0 H TRP A 95 7.108 -3.707 -3.866 1.00 0.00 H new ATOM 0 HA TRP A 95 5.958 -1.433 -5.237 1.00 0.00 H new ATOM 0 HB2 TRP A 95 6.544 -1.276 -2.869 1.00 0.00 H new ATOM 0 HB3 TRP A 95 8.198 -1.747 -3.205 1.00 0.00 H new ATOM 0 HD1 TRP A 95 5.802 1.126 -4.341 1.00 0.00 H new ATOM 0 HE1 TRP A 95 7.164 3.310 -4.551 1.00 0.00 H new ATOM 0 HE3 TRP A 95 10.392 -0.752 -3.144 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 9.847 4.087 -4.217 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 12.327 0.773 -3.117 1.00 0.00 H new ATOM 0 HH2 TRP A 95 12.051 3.168 -3.636 1.00 0.00 H new