USER MOD reduce.3.24.130724 H: found=0, std=0, add=801, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 798 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 Single : A 1 GLY N :NH3+ -110:sc= 0.0854 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0.00146 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -0.498 X(o=-0.5,f=0) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= -0.147 USER MOD Single : A 33 SER OG : rot 160:sc= 0.852 USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.14 USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -0.26 X(o=-0.26,f=-0.0067) USER MOD Single : A 48 LYS NZ :NH3+ 162:sc= 0 (180deg=-0.0903) USER MOD Single : A 49 SER OG : rot 61:sc= 0.446 USER MOD Single : A 50 ASN : amide:sc= -0.144 X(o=-0.14,f=-0.041) USER MOD Single : A 55 GLN : amide:sc= -0.304 X(o=-0.3,f=-0.37) USER MOD Single : A 63 TYR OH : rot 30:sc= 0 USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 HIS : no HE2:sc= -3.64! C(o=-3.6!,f=-4.1!) USER MOD Single : A 77 HIS :FLIP no HD1:sc= 0.0178 F(o=-1.3!,f=0.018) USER MOD Single : A 80 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0195) USER MOD Single : A 81 HIS : no HE2:sc= -1.37 K(o=-1.4,f=-4.3!) USER MOD Single : A 82 GLN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 84 SER OG : rot 32:sc= 0.202 USER MOD Single : A 91 SER OG : rot -112:sc= 1.32 USER MOD Single : A 92 CYS SG : rot 180:sc= -1.55 USER MOD Single : A 96 GLN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : A 98 SER OG : rot -150:sc= -0.833 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 GLN : amide:sc= 0 X(o=0,f=-0.0037) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 20:sc= 0.569 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -14.439 18.814 9.756 1.00 0.00 N ATOM 2 CA GLY A 1 -15.064 17.510 9.879 1.00 0.00 C ATOM 3 C GLY A 1 -15.480 16.939 8.538 1.00 0.00 C ATOM 4 O GLY A 1 -15.335 17.592 7.505 1.00 0.00 O ATOM 0 H1 GLY A 1 -13.425 18.735 9.975 1.00 0.00 H new ATOM 0 H2 GLY A 1 -14.557 19.165 8.784 1.00 0.00 H new ATOM 0 H3 GLY A 1 -14.886 19.477 10.420 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -14.371 16.823 10.364 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -15.939 17.589 10.524 1.00 0.00 H new ATOM 8 N SER A 2 -15.997 15.714 8.553 1.00 0.00 N ATOM 9 CA SER A 2 -16.430 15.052 7.328 1.00 0.00 C ATOM 10 C SER A 2 -17.777 14.364 7.530 1.00 0.00 C ATOM 11 O SER A 2 -18.057 13.825 8.600 1.00 0.00 O ATOM 12 CB SER A 2 -15.385 14.029 6.879 1.00 0.00 C ATOM 13 OG SER A 2 -15.510 13.745 5.497 1.00 0.00 O ATOM 0 H SER A 2 -16.126 15.160 9.400 1.00 0.00 H new ATOM 0 HA SER A 2 -16.541 15.811 6.554 1.00 0.00 H new ATOM 0 HB2 SER A 2 -14.385 14.411 7.086 1.00 0.00 H new ATOM 0 HB3 SER A 2 -15.500 13.110 7.454 1.00 0.00 H new ATOM 0 HG SER A 2 -14.830 13.090 5.235 1.00 0.00 H new ATOM 19 N SER A 3 -18.608 14.389 6.492 1.00 0.00 N ATOM 20 CA SER A 3 -19.928 13.772 6.555 1.00 0.00 C ATOM 21 C SER A 3 -19.871 12.321 6.088 1.00 0.00 C ATOM 22 O SER A 3 -18.938 11.915 5.397 1.00 0.00 O ATOM 23 CB SER A 3 -20.922 14.557 5.698 1.00 0.00 C ATOM 24 OG SER A 3 -20.507 14.598 4.343 1.00 0.00 O ATOM 0 H SER A 3 -18.390 14.830 5.598 1.00 0.00 H new ATOM 0 HA SER A 3 -20.262 13.789 7.593 1.00 0.00 H new ATOM 0 HB2 SER A 3 -21.908 14.097 5.766 1.00 0.00 H new ATOM 0 HB3 SER A 3 -21.017 15.572 6.083 1.00 0.00 H new ATOM 0 HG SER A 3 -21.160 15.104 3.816 1.00 0.00 H new ATOM 30 N GLY A 4 -20.879 11.542 6.473 1.00 0.00 N ATOM 31 CA GLY A 4 -20.926 10.145 6.086 1.00 0.00 C ATOM 32 C GLY A 4 -21.390 9.246 7.214 1.00 0.00 C ATOM 33 O GLY A 4 -20.575 8.717 7.971 1.00 0.00 O ATOM 0 H GLY A 4 -21.663 11.855 7.046 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -21.596 10.030 5.234 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -19.936 9.829 5.757 1.00 0.00 H new ATOM 37 N SER A 5 -22.703 9.073 7.330 1.00 0.00 N ATOM 38 CA SER A 5 -23.274 8.236 8.378 1.00 0.00 C ATOM 39 C SER A 5 -23.063 6.757 8.068 1.00 0.00 C ATOM 40 O SER A 5 -22.691 5.975 8.943 1.00 0.00 O ATOM 41 CB SER A 5 -24.768 8.527 8.535 1.00 0.00 C ATOM 42 OG SER A 5 -25.392 7.559 9.360 1.00 0.00 O ATOM 0 H SER A 5 -23.391 9.502 6.711 1.00 0.00 H new ATOM 0 HA SER A 5 -22.765 8.470 9.313 1.00 0.00 H new ATOM 0 HB2 SER A 5 -24.905 9.519 8.965 1.00 0.00 H new ATOM 0 HB3 SER A 5 -25.245 8.536 7.555 1.00 0.00 H new ATOM 0 HG SER A 5 -26.346 7.768 9.446 1.00 0.00 H new ATOM 48 N SER A 6 -23.303 6.381 6.816 1.00 0.00 N ATOM 49 CA SER A 6 -23.143 4.995 6.390 1.00 0.00 C ATOM 50 C SER A 6 -21.726 4.742 5.886 1.00 0.00 C ATOM 51 O SER A 6 -21.523 4.037 4.899 1.00 0.00 O ATOM 52 CB SER A 6 -24.155 4.657 5.294 1.00 0.00 C ATOM 53 OG SER A 6 -24.090 5.594 4.233 1.00 0.00 O ATOM 0 H SER A 6 -23.609 7.016 6.079 1.00 0.00 H new ATOM 0 HA SER A 6 -23.323 4.352 7.252 1.00 0.00 H new ATOM 0 HB2 SER A 6 -23.960 3.655 4.911 1.00 0.00 H new ATOM 0 HB3 SER A 6 -25.161 4.648 5.714 1.00 0.00 H new ATOM 0 HG SER A 6 -24.745 5.355 3.545 1.00 0.00 H new ATOM 59 N GLY A 7 -20.747 5.323 6.574 1.00 0.00 N ATOM 60 CA GLY A 7 -19.361 5.149 6.182 1.00 0.00 C ATOM 61 C GLY A 7 -18.667 4.059 6.974 1.00 0.00 C ATOM 62 O GLY A 7 -17.771 4.335 7.773 1.00 0.00 O ATOM 0 H GLY A 7 -20.890 5.911 7.395 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -19.315 4.908 5.120 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -18.827 6.089 6.319 1.00 0.00 H new ATOM 66 N THR A 8 -19.081 2.815 6.755 1.00 0.00 N ATOM 67 CA THR A 8 -18.495 1.680 7.457 1.00 0.00 C ATOM 68 C THR A 8 -18.720 0.383 6.687 1.00 0.00 C ATOM 69 O THR A 8 -19.695 0.249 5.949 1.00 0.00 O ATOM 70 CB THR A 8 -19.081 1.531 8.873 1.00 0.00 C ATOM 71 OG1 THR A 8 -20.493 1.302 8.798 1.00 0.00 O ATOM 72 CG2 THR A 8 -18.808 2.775 9.705 1.00 0.00 C ATOM 0 H THR A 8 -19.820 2.568 6.097 1.00 0.00 H new ATOM 0 HA THR A 8 -17.425 1.874 7.534 1.00 0.00 H new ATOM 0 HB THR A 8 -18.600 0.679 9.353 1.00 0.00 H new ATOM 0 HG1 THR A 8 -20.857 1.207 9.703 1.00 0.00 H new ATOM 0 HG21 THR A 8 -19.231 2.647 10.701 1.00 0.00 H new ATOM 0 HG22 THR A 8 -17.732 2.930 9.785 1.00 0.00 H new ATOM 0 HG23 THR A 8 -19.265 3.641 9.226 1.00 0.00 H new ATOM 80 N ALA A 9 -17.811 -0.570 6.866 1.00 0.00 N ATOM 81 CA ALA A 9 -17.912 -1.858 6.190 1.00 0.00 C ATOM 82 C ALA A 9 -17.228 -2.957 6.997 1.00 0.00 C ATOM 83 O ALA A 9 -16.706 -2.708 8.084 1.00 0.00 O ATOM 84 CB ALA A 9 -17.309 -1.771 4.796 1.00 0.00 C ATOM 0 H ALA A 9 -16.997 -0.475 7.473 1.00 0.00 H new ATOM 0 HA ALA A 9 -18.968 -2.112 6.102 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -17.391 -2.740 4.303 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -17.845 -1.021 4.214 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -16.258 -1.490 4.871 1.00 0.00 H new ATOM 90 N ARG A 10 -17.235 -4.172 6.459 1.00 0.00 N ATOM 91 CA ARG A 10 -16.617 -5.308 7.130 1.00 0.00 C ATOM 92 C ARG A 10 -15.460 -5.864 6.305 1.00 0.00 C ATOM 93 O ARG A 10 -15.403 -5.674 5.089 1.00 0.00 O ATOM 94 CB ARG A 10 -17.653 -6.406 7.380 1.00 0.00 C ATOM 95 CG ARG A 10 -17.416 -7.188 8.661 1.00 0.00 C ATOM 96 CD ARG A 10 -18.663 -7.944 9.091 1.00 0.00 C ATOM 97 NE ARG A 10 -18.800 -9.218 8.390 1.00 0.00 N ATOM 98 CZ ARG A 10 -18.093 -10.302 8.690 1.00 0.00 C ATOM 99 NH1 ARG A 10 -17.205 -10.267 9.674 1.00 0.00 N ATOM 100 NH2 ARG A 10 -18.274 -11.424 8.005 1.00 0.00 N ATOM 0 H ARG A 10 -17.662 -4.395 5.560 1.00 0.00 H new ATOM 0 HA ARG A 10 -16.225 -4.963 8.087 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -18.645 -5.956 7.418 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -17.648 -7.097 6.537 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -16.596 -7.891 8.513 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -17.111 -6.505 9.454 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -18.625 -8.124 10.165 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -19.543 -7.329 8.901 1.00 0.00 H new ATOM 0 HE ARG A 10 -19.476 -9.279 7.628 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -17.063 -9.406 10.203 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -16.664 -11.101 9.902 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -18.956 -11.455 7.247 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -17.731 -12.256 8.236 1.00 0.00 H new ATOM 114 N LEU A 11 -14.540 -6.551 6.973 1.00 0.00 N ATOM 115 CA LEU A 11 -13.384 -7.135 6.302 1.00 0.00 C ATOM 116 C LEU A 11 -13.693 -8.545 5.812 1.00 0.00 C ATOM 117 O LEU A 11 -13.700 -9.498 6.592 1.00 0.00 O ATOM 118 CB LEU A 11 -12.181 -7.163 7.247 1.00 0.00 C ATOM 119 CG LEU A 11 -10.846 -7.566 6.622 1.00 0.00 C ATOM 120 CD1 LEU A 11 -10.555 -6.720 5.392 1.00 0.00 C ATOM 121 CD2 LEU A 11 -9.721 -7.438 7.638 1.00 0.00 C ATOM 0 H LEU A 11 -14.572 -6.717 7.979 1.00 0.00 H new ATOM 0 HA LEU A 11 -13.145 -6.515 5.438 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -12.068 -6.173 7.689 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -12.401 -7.853 8.062 1.00 0.00 H new ATOM 0 HG LEU A 11 -10.912 -8.609 6.313 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -9.600 -7.021 4.961 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -11.347 -6.863 4.657 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -10.509 -5.669 5.676 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -8.778 -7.729 7.175 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -9.654 -6.405 7.979 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -9.924 -8.088 8.489 1.00 0.00 H new ATOM 133 N VAL A 12 -13.948 -8.673 4.513 1.00 0.00 N ATOM 134 CA VAL A 12 -14.254 -9.968 3.918 1.00 0.00 C ATOM 135 C VAL A 12 -12.984 -10.773 3.669 1.00 0.00 C ATOM 136 O VAL A 12 -13.018 -12.002 3.606 1.00 0.00 O ATOM 137 CB VAL A 12 -15.016 -9.808 2.589 1.00 0.00 C ATOM 138 CG1 VAL A 12 -15.291 -11.168 1.964 1.00 0.00 C ATOM 139 CG2 VAL A 12 -16.311 -9.040 2.806 1.00 0.00 C ATOM 0 H VAL A 12 -13.949 -7.895 3.853 1.00 0.00 H new ATOM 0 HA VAL A 12 -14.885 -10.502 4.629 1.00 0.00 H new ATOM 0 HB VAL A 12 -14.394 -9.237 1.900 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -15.830 -11.035 1.026 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -14.347 -11.677 1.771 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -15.893 -11.767 2.647 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -16.836 -8.936 1.856 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -16.941 -9.581 3.512 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -16.085 -8.051 3.205 1.00 0.00 H new ATOM 149 N ALA A 13 -11.864 -10.073 3.529 1.00 0.00 N ATOM 150 CA ALA A 13 -10.581 -10.723 3.291 1.00 0.00 C ATOM 151 C ALA A 13 -9.423 -9.773 3.577 1.00 0.00 C ATOM 152 O ALA A 13 -9.153 -8.856 2.802 1.00 0.00 O ATOM 153 CB ALA A 13 -10.506 -11.233 1.859 1.00 0.00 C ATOM 0 H ALA A 13 -11.819 -9.055 3.576 1.00 0.00 H new ATOM 0 HA ALA A 13 -10.499 -11.570 3.972 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -9.543 -11.716 1.695 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -11.307 -11.952 1.686 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -10.615 -10.396 1.169 1.00 0.00 H new ATOM 159 N GLY A 14 -8.741 -9.999 4.696 1.00 0.00 N ATOM 160 CA GLY A 14 -7.620 -9.154 5.065 1.00 0.00 C ATOM 161 C GLY A 14 -6.465 -9.265 4.089 1.00 0.00 C ATOM 162 O GLY A 14 -6.454 -10.143 3.225 1.00 0.00 O ATOM 0 H GLY A 14 -8.945 -10.752 5.353 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -7.952 -8.117 5.115 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -7.276 -9.427 6.063 1.00 0.00 H new ATOM 166 N LEU A 15 -5.491 -8.371 4.224 1.00 0.00 N ATOM 167 CA LEU A 15 -4.326 -8.370 3.346 1.00 0.00 C ATOM 168 C LEU A 15 -3.616 -9.720 3.382 1.00 0.00 C ATOM 169 O LEU A 15 -4.091 -10.665 4.012 1.00 0.00 O ATOM 170 CB LEU A 15 -3.357 -7.260 3.753 1.00 0.00 C ATOM 171 CG LEU A 15 -3.820 -5.829 3.478 1.00 0.00 C ATOM 172 CD1 LEU A 15 -3.931 -5.583 1.981 1.00 0.00 C ATOM 173 CD2 LEU A 15 -5.151 -5.558 4.164 1.00 0.00 C ATOM 0 H LEU A 15 -5.485 -7.638 4.933 1.00 0.00 H new ATOM 0 HA LEU A 15 -4.669 -8.188 2.328 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.154 -7.356 4.820 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -2.413 -7.421 3.233 1.00 0.00 H new ATOM 0 HG LEU A 15 -3.078 -5.143 3.885 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -4.262 -4.560 1.804 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.958 -5.736 1.514 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -4.653 -6.277 1.551 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -5.465 -4.535 3.957 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -5.903 -6.252 3.787 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -5.040 -5.693 5.240 1.00 0.00 H new ATOM 185 N GLU A 16 -2.475 -9.801 2.704 1.00 0.00 N ATOM 186 CA GLU A 16 -1.700 -11.035 2.661 1.00 0.00 C ATOM 187 C GLU A 16 -0.203 -10.737 2.662 1.00 0.00 C ATOM 188 O GLU A 16 0.227 -9.662 2.243 1.00 0.00 O ATOM 189 CB GLU A 16 -2.067 -11.851 1.420 1.00 0.00 C ATOM 190 CG GLU A 16 -3.477 -12.417 1.459 1.00 0.00 C ATOM 191 CD GLU A 16 -3.547 -13.760 2.160 1.00 0.00 C ATOM 192 OE1 GLU A 16 -2.521 -14.472 2.184 1.00 0.00 O ATOM 193 OE2 GLU A 16 -4.629 -14.099 2.684 1.00 0.00 O ATOM 0 H GLU A 16 -2.068 -9.028 2.178 1.00 0.00 H new ATOM 0 HA GLU A 16 -1.939 -11.615 3.552 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -1.962 -11.221 0.537 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -1.358 -12.672 1.312 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -4.134 -11.711 1.967 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -3.850 -12.523 0.440 1.00 0.00 H new ATOM 200 N ASP A 17 0.585 -11.696 3.137 1.00 0.00 N ATOM 201 CA ASP A 17 2.033 -11.537 3.193 1.00 0.00 C ATOM 202 C ASP A 17 2.624 -11.437 1.790 1.00 0.00 C ATOM 203 O ASP A 17 2.130 -12.062 0.852 1.00 0.00 O ATOM 204 CB ASP A 17 2.667 -12.709 3.944 1.00 0.00 C ATOM 205 CG ASP A 17 1.973 -14.026 3.655 1.00 0.00 C ATOM 206 OD1 ASP A 17 0.773 -14.148 3.980 1.00 0.00 O ATOM 207 OD2 ASP A 17 2.629 -14.933 3.103 1.00 0.00 O ATOM 0 H ASP A 17 0.245 -12.591 3.489 1.00 0.00 H new ATOM 0 HA ASP A 17 2.252 -10.612 3.726 1.00 0.00 H new ATOM 0 HB2 ASP A 17 3.718 -12.788 3.668 1.00 0.00 H new ATOM 0 HB3 ASP A 17 2.633 -12.511 5.015 1.00 0.00 H new ATOM 212 N VAL A 18 3.683 -10.646 1.655 1.00 0.00 N ATOM 213 CA VAL A 18 4.341 -10.463 0.366 1.00 0.00 C ATOM 214 C VAL A 18 5.858 -10.474 0.518 1.00 0.00 C ATOM 215 O VAL A 18 6.390 -10.093 1.560 1.00 0.00 O ATOM 216 CB VAL A 18 3.912 -9.143 -0.301 1.00 0.00 C ATOM 217 CG1 VAL A 18 4.390 -7.952 0.515 1.00 0.00 C ATOM 218 CG2 VAL A 18 4.441 -9.070 -1.726 1.00 0.00 C ATOM 0 H VAL A 18 4.104 -10.121 2.422 1.00 0.00 H new ATOM 0 HA VAL A 18 4.036 -11.296 -0.267 1.00 0.00 H new ATOM 0 HB VAL A 18 2.823 -9.113 -0.340 1.00 0.00 H new ATOM 0 HG11 VAL A 18 4.077 -7.028 0.028 1.00 0.00 H new ATOM 0 HG12 VAL A 18 3.958 -7.999 1.515 1.00 0.00 H new ATOM 0 HG13 VAL A 18 5.477 -7.974 0.588 1.00 0.00 H new ATOM 0 HG21 VAL A 18 4.129 -8.131 -2.182 1.00 0.00 H new ATOM 0 HG22 VAL A 18 5.530 -9.123 -1.713 1.00 0.00 H new ATOM 0 HG23 VAL A 18 4.044 -9.904 -2.305 1.00 0.00 H new ATOM 228 N GLN A 19 6.549 -10.912 -0.530 1.00 0.00 N ATOM 229 CA GLN A 19 8.005 -10.973 -0.513 1.00 0.00 C ATOM 230 C GLN A 19 8.575 -10.766 -1.912 1.00 0.00 C ATOM 231 O GLN A 19 8.187 -11.451 -2.859 1.00 0.00 O ATOM 232 CB GLN A 19 8.475 -12.316 0.049 1.00 0.00 C ATOM 233 CG GLN A 19 8.371 -13.461 -0.946 1.00 0.00 C ATOM 234 CD GLN A 19 8.866 -14.775 -0.376 1.00 0.00 C ATOM 235 OE1 GLN A 19 9.571 -15.530 -1.046 1.00 0.00 O ATOM 236 NE2 GLN A 19 8.498 -15.057 0.869 1.00 0.00 N ATOM 0 H GLN A 19 6.124 -11.230 -1.401 1.00 0.00 H new ATOM 0 HA GLN A 19 8.369 -10.172 0.130 1.00 0.00 H new ATOM 0 HB2 GLN A 19 9.511 -12.222 0.375 1.00 0.00 H new ATOM 0 HB3 GLN A 19 7.884 -12.558 0.932 1.00 0.00 H new ATOM 0 HG2 GLN A 19 7.333 -13.573 -1.258 1.00 0.00 H new ATOM 0 HG3 GLN A 19 8.948 -13.216 -1.838 1.00 0.00 H new ATOM 0 HE21 GLN A 19 7.913 -14.403 1.388 1.00 0.00 H new ATOM 0 HE22 GLN A 19 8.801 -15.928 1.305 1.00 0.00 H new ATOM 245 N VAL A 20 9.498 -9.818 -2.036 1.00 0.00 N ATOM 246 CA VAL A 20 10.122 -9.521 -3.320 1.00 0.00 C ATOM 247 C VAL A 20 11.561 -9.053 -3.137 1.00 0.00 C ATOM 248 O VAL A 20 11.937 -8.573 -2.067 1.00 0.00 O ATOM 249 CB VAL A 20 9.337 -8.443 -4.090 1.00 0.00 C ATOM 250 CG1 VAL A 20 7.913 -8.906 -4.356 1.00 0.00 C ATOM 251 CG2 VAL A 20 9.345 -7.129 -3.323 1.00 0.00 C ATOM 0 H VAL A 20 9.830 -9.242 -1.263 1.00 0.00 H new ATOM 0 HA VAL A 20 10.115 -10.446 -3.896 1.00 0.00 H new ATOM 0 HB VAL A 20 9.825 -8.280 -5.051 1.00 0.00 H new ATOM 0 HG11 VAL A 20 7.374 -8.131 -4.901 1.00 0.00 H new ATOM 0 HG12 VAL A 20 7.932 -9.820 -4.950 1.00 0.00 H new ATOM 0 HG13 VAL A 20 7.410 -9.099 -3.408 1.00 0.00 H new ATOM 0 HG21 VAL A 20 8.786 -6.378 -3.881 1.00 0.00 H new ATOM 0 HG22 VAL A 20 8.882 -7.275 -2.347 1.00 0.00 H new ATOM 0 HG23 VAL A 20 10.373 -6.791 -3.190 1.00 0.00 H new ATOM 261 N TYR A 21 12.362 -9.195 -4.187 1.00 0.00 N ATOM 262 CA TYR A 21 13.762 -8.788 -4.141 1.00 0.00 C ATOM 263 C TYR A 21 13.901 -7.289 -4.384 1.00 0.00 C ATOM 264 O TYR A 21 13.018 -6.657 -4.964 1.00 0.00 O ATOM 265 CB TYR A 21 14.574 -9.562 -5.181 1.00 0.00 C ATOM 266 CG TYR A 21 14.962 -10.953 -4.734 1.00 0.00 C ATOM 267 CD1 TYR A 21 14.169 -11.663 -3.840 1.00 0.00 C ATOM 268 CD2 TYR A 21 16.121 -11.558 -5.204 1.00 0.00 C ATOM 269 CE1 TYR A 21 14.520 -12.934 -3.428 1.00 0.00 C ATOM 270 CE2 TYR A 21 16.479 -12.829 -4.799 1.00 0.00 C ATOM 271 CZ TYR A 21 15.675 -13.513 -3.911 1.00 0.00 C ATOM 272 OH TYR A 21 16.029 -14.779 -3.503 1.00 0.00 O ATOM 0 H TYR A 21 12.066 -9.589 -5.080 1.00 0.00 H new ATOM 0 HA TYR A 21 14.148 -9.014 -3.147 1.00 0.00 H new ATOM 0 HB2 TYR A 21 13.995 -9.634 -6.102 1.00 0.00 H new ATOM 0 HB3 TYR A 21 15.478 -9.000 -5.416 1.00 0.00 H new ATOM 0 HD1 TYR A 21 13.263 -11.213 -3.461 1.00 0.00 H new ATOM 0 HD2 TYR A 21 16.753 -11.025 -5.898 1.00 0.00 H new ATOM 0 HE1 TYR A 21 13.893 -13.471 -2.732 1.00 0.00 H new ATOM 0 HE2 TYR A 21 17.383 -13.285 -5.175 1.00 0.00 H new ATOM 0 HH TYR A 21 16.868 -15.040 -3.937 1.00 0.00 H new ATOM 282 N ASP A 22 15.017 -6.725 -3.935 1.00 0.00 N ATOM 283 CA ASP A 22 15.275 -5.300 -4.104 1.00 0.00 C ATOM 284 C ASP A 22 14.995 -4.863 -5.538 1.00 0.00 C ATOM 285 O ASP A 22 15.278 -5.592 -6.487 1.00 0.00 O ATOM 286 CB ASP A 22 16.723 -4.974 -3.733 1.00 0.00 C ATOM 287 CG ASP A 22 17.723 -5.737 -4.579 1.00 0.00 C ATOM 288 OD1 ASP A 22 17.291 -6.458 -5.503 1.00 0.00 O ATOM 289 OD2 ASP A 22 18.938 -5.613 -4.318 1.00 0.00 O ATOM 0 H ASP A 22 15.757 -7.233 -3.451 1.00 0.00 H new ATOM 0 HA ASP A 22 14.606 -4.754 -3.439 1.00 0.00 H new ATOM 0 HB2 ASP A 22 16.893 -3.904 -3.851 1.00 0.00 H new ATOM 0 HB3 ASP A 22 16.887 -5.209 -2.681 1.00 0.00 H new ATOM 294 N GLY A 23 14.434 -3.666 -5.688 1.00 0.00 N ATOM 295 CA GLY A 23 14.122 -3.153 -7.009 1.00 0.00 C ATOM 296 C GLY A 23 12.811 -3.692 -7.546 1.00 0.00 C ATOM 297 O GLY A 23 12.139 -3.031 -8.337 1.00 0.00 O ATOM 0 H GLY A 23 14.190 -3.043 -4.918 1.00 0.00 H new ATOM 0 HA2 GLY A 23 14.075 -2.065 -6.971 1.00 0.00 H new ATOM 0 HA3 GLY A 23 14.927 -3.414 -7.696 1.00 0.00 H new ATOM 301 N GLU A 24 12.449 -4.897 -7.118 1.00 0.00 N ATOM 302 CA GLU A 24 11.210 -5.525 -7.564 1.00 0.00 C ATOM 303 C GLU A 24 9.999 -4.692 -7.153 1.00 0.00 C ATOM 304 O GLU A 24 10.140 -3.634 -6.539 1.00 0.00 O ATOM 305 CB GLU A 24 11.091 -6.937 -6.986 1.00 0.00 C ATOM 306 CG GLU A 24 12.247 -7.848 -7.364 1.00 0.00 C ATOM 307 CD GLU A 24 12.342 -8.081 -8.859 1.00 0.00 C ATOM 308 OE1 GLU A 24 12.930 -7.227 -9.556 1.00 0.00 O ATOM 309 OE2 GLU A 24 11.829 -9.116 -9.333 1.00 0.00 O ATOM 0 H GLU A 24 12.995 -5.458 -6.464 1.00 0.00 H new ATOM 0 HA GLU A 24 11.235 -5.586 -8.652 1.00 0.00 H new ATOM 0 HB2 GLU A 24 11.031 -6.872 -5.900 1.00 0.00 H new ATOM 0 HB3 GLU A 24 10.159 -7.384 -7.331 1.00 0.00 H new ATOM 0 HG2 GLU A 24 13.180 -7.411 -7.008 1.00 0.00 H new ATOM 0 HG3 GLU A 24 12.130 -8.806 -6.858 1.00 0.00 H new ATOM 316 N ASP A 25 8.811 -5.177 -7.496 1.00 0.00 N ATOM 317 CA ASP A 25 7.575 -4.479 -7.163 1.00 0.00 C ATOM 318 C ASP A 25 6.693 -5.336 -6.260 1.00 0.00 C ATOM 319 O ASP A 25 6.571 -6.544 -6.461 1.00 0.00 O ATOM 320 CB ASP A 25 6.814 -4.108 -8.437 1.00 0.00 C ATOM 321 CG ASP A 25 7.702 -3.437 -9.467 1.00 0.00 C ATOM 322 OD1 ASP A 25 8.728 -2.846 -9.070 1.00 0.00 O ATOM 323 OD2 ASP A 25 7.370 -3.501 -10.669 1.00 0.00 O ATOM 0 H ASP A 25 8.678 -6.051 -8.005 1.00 0.00 H new ATOM 0 HA ASP A 25 7.836 -3.567 -6.626 1.00 0.00 H new ATOM 0 HB2 ASP A 25 6.376 -5.007 -8.870 1.00 0.00 H new ATOM 0 HB3 ASP A 25 5.989 -3.442 -8.183 1.00 0.00 H new ATOM 328 N ALA A 26 6.081 -4.702 -5.265 1.00 0.00 N ATOM 329 CA ALA A 26 5.210 -5.406 -4.332 1.00 0.00 C ATOM 330 C ALA A 26 3.745 -5.246 -4.722 1.00 0.00 C ATOM 331 O ALA A 26 3.382 -4.318 -5.446 1.00 0.00 O ATOM 332 CB ALA A 26 5.440 -4.904 -2.914 1.00 0.00 C ATOM 0 H ALA A 26 6.172 -3.702 -5.084 1.00 0.00 H new ATOM 0 HA ALA A 26 5.455 -6.467 -4.374 1.00 0.00 H new ATOM 0 HB1 ALA A 26 4.783 -5.438 -2.228 1.00 0.00 H new ATOM 0 HB2 ALA A 26 6.478 -5.077 -2.631 1.00 0.00 H new ATOM 0 HB3 ALA A 26 5.224 -3.837 -2.866 1.00 0.00 H new ATOM 338 N VAL A 27 2.905 -6.155 -4.237 1.00 0.00 N ATOM 339 CA VAL A 27 1.479 -6.114 -4.535 1.00 0.00 C ATOM 340 C VAL A 27 0.649 -6.388 -3.285 1.00 0.00 C ATOM 341 O VAL A 27 0.955 -7.293 -2.509 1.00 0.00 O ATOM 342 CB VAL A 27 1.102 -7.138 -5.622 1.00 0.00 C ATOM 343 CG1 VAL A 27 -0.373 -7.024 -5.975 1.00 0.00 C ATOM 344 CG2 VAL A 27 1.971 -6.948 -6.856 1.00 0.00 C ATOM 0 H VAL A 27 3.188 -6.929 -3.636 1.00 0.00 H new ATOM 0 HA VAL A 27 1.261 -5.111 -4.901 1.00 0.00 H new ATOM 0 HB VAL A 27 1.280 -8.140 -5.231 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.621 -7.755 -6.744 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.975 -7.214 -5.087 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.582 -6.021 -6.347 1.00 0.00 H new ATOM 0 HG21 VAL A 27 1.691 -7.680 -7.614 1.00 0.00 H new ATOM 0 HG22 VAL A 27 1.827 -5.943 -7.251 1.00 0.00 H new ATOM 0 HG23 VAL A 27 3.019 -7.086 -6.588 1.00 0.00 H new ATOM 354 N PHE A 28 -0.404 -5.600 -3.097 1.00 0.00 N ATOM 355 CA PHE A 28 -1.280 -5.756 -1.941 1.00 0.00 C ATOM 356 C PHE A 28 -2.745 -5.621 -2.346 1.00 0.00 C ATOM 357 O PHE A 28 -3.116 -4.701 -3.076 1.00 0.00 O ATOM 358 CB PHE A 28 -0.936 -4.718 -0.871 1.00 0.00 C ATOM 359 CG PHE A 28 0.278 -5.072 -0.060 1.00 0.00 C ATOM 360 CD1 PHE A 28 0.238 -6.115 0.852 1.00 0.00 C ATOM 361 CD2 PHE A 28 1.458 -4.363 -0.210 1.00 0.00 C ATOM 362 CE1 PHE A 28 1.353 -6.443 1.600 1.00 0.00 C ATOM 363 CE2 PHE A 28 2.577 -4.687 0.534 1.00 0.00 C ATOM 364 CZ PHE A 28 2.524 -5.728 1.441 1.00 0.00 C ATOM 0 H PHE A 28 -0.672 -4.847 -3.730 1.00 0.00 H new ATOM 0 HA PHE A 28 -1.126 -6.754 -1.531 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -0.773 -3.753 -1.351 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -1.789 -4.601 -0.202 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -0.675 -6.678 0.980 1.00 0.00 H new ATOM 0 HD2 PHE A 28 1.505 -3.547 -0.916 1.00 0.00 H new ATOM 0 HE1 PHE A 28 1.309 -7.257 2.308 1.00 0.00 H new ATOM 0 HE2 PHE A 28 3.492 -4.127 0.407 1.00 0.00 H new ATOM 0 HZ PHE A 28 3.397 -5.982 2.025 1.00 0.00 H new ATOM 374 N SER A 29 -3.573 -6.543 -1.867 1.00 0.00 N ATOM 375 CA SER A 29 -4.996 -6.530 -2.181 1.00 0.00 C ATOM 376 C SER A 29 -5.812 -7.113 -1.032 1.00 0.00 C ATOM 377 O SER A 29 -5.291 -7.857 -0.200 1.00 0.00 O ATOM 378 CB SER A 29 -5.264 -7.320 -3.464 1.00 0.00 C ATOM 379 OG SER A 29 -6.653 -7.530 -3.653 1.00 0.00 O ATOM 0 H SER A 29 -3.282 -7.309 -1.259 1.00 0.00 H new ATOM 0 HA SER A 29 -5.300 -5.494 -2.330 1.00 0.00 H new ATOM 0 HB2 SER A 29 -4.855 -6.781 -4.319 1.00 0.00 H new ATOM 0 HB3 SER A 29 -4.751 -8.281 -3.417 1.00 0.00 H new ATOM 0 HG SER A 29 -6.798 -8.035 -4.480 1.00 0.00 H new ATOM 385 N LEU A 30 -7.095 -6.771 -0.992 1.00 0.00 N ATOM 386 CA LEU A 30 -7.985 -7.260 0.056 1.00 0.00 C ATOM 387 C LEU A 30 -9.442 -7.187 -0.390 1.00 0.00 C ATOM 388 O LEU A 30 -9.753 -6.625 -1.441 1.00 0.00 O ATOM 389 CB LEU A 30 -7.792 -6.447 1.337 1.00 0.00 C ATOM 390 CG LEU A 30 -8.157 -4.965 1.254 1.00 0.00 C ATOM 391 CD1 LEU A 30 -9.599 -4.745 1.685 1.00 0.00 C ATOM 392 CD2 LEU A 30 -7.211 -4.133 2.108 1.00 0.00 C ATOM 0 H LEU A 30 -7.542 -6.157 -1.673 1.00 0.00 H new ATOM 0 HA LEU A 30 -7.735 -8.303 0.253 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -8.389 -6.904 2.126 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -6.748 -6.527 1.640 1.00 0.00 H new ATOM 0 HG LEU A 30 -8.056 -4.644 0.217 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -9.841 -3.684 1.619 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -10.264 -5.310 1.032 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -9.727 -5.083 2.713 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -7.486 -3.081 2.036 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -7.279 -4.456 3.147 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -6.189 -4.265 1.753 1.00 0.00 H new ATOM 404 N ASP A 31 -10.331 -7.758 0.415 1.00 0.00 N ATOM 405 CA ASP A 31 -11.756 -7.756 0.105 1.00 0.00 C ATOM 406 C ASP A 31 -12.557 -7.120 1.237 1.00 0.00 C ATOM 407 O ASP A 31 -12.126 -7.114 2.391 1.00 0.00 O ATOM 408 CB ASP A 31 -12.248 -9.182 -0.145 1.00 0.00 C ATOM 409 CG ASP A 31 -11.417 -9.906 -1.187 1.00 0.00 C ATOM 410 OD1 ASP A 31 -10.211 -10.115 -0.943 1.00 0.00 O ATOM 411 OD2 ASP A 31 -11.974 -10.264 -2.246 1.00 0.00 O ATOM 0 H ASP A 31 -10.090 -8.228 1.287 1.00 0.00 H new ATOM 0 HA ASP A 31 -11.905 -7.165 -0.799 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -12.222 -9.742 0.790 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -13.288 -9.153 -0.470 1.00 0.00 H new ATOM 416 N LEU A 32 -13.725 -6.583 0.900 1.00 0.00 N ATOM 417 CA LEU A 32 -14.586 -5.943 1.887 1.00 0.00 C ATOM 418 C LEU A 32 -16.045 -6.332 1.670 1.00 0.00 C ATOM 419 O LEU A 32 -16.453 -6.653 0.554 1.00 0.00 O ATOM 420 CB LEU A 32 -14.436 -4.423 1.815 1.00 0.00 C ATOM 421 CG LEU A 32 -13.022 -3.877 2.022 1.00 0.00 C ATOM 422 CD1 LEU A 32 -13.017 -2.360 1.929 1.00 0.00 C ATOM 423 CD2 LEU A 32 -12.466 -4.333 3.363 1.00 0.00 C ATOM 0 H LEU A 32 -14.097 -6.579 -0.050 1.00 0.00 H new ATOM 0 HA LEU A 32 -14.281 -6.285 2.876 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -14.794 -4.088 0.841 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -15.089 -3.978 2.565 1.00 0.00 H new ATOM 0 HG LEU A 32 -12.382 -4.271 1.233 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -12.003 -1.990 2.079 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -13.373 -2.055 0.945 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -13.671 -1.946 2.696 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -11.460 -3.936 3.494 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -13.107 -3.969 4.166 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -12.433 -5.422 3.392 1.00 0.00 H new ATOM 435 N SER A 33 -16.827 -6.299 2.745 1.00 0.00 N ATOM 436 CA SER A 33 -18.241 -6.649 2.673 1.00 0.00 C ATOM 437 C SER A 33 -19.014 -5.622 1.850 1.00 0.00 C ATOM 438 O SER A 33 -20.074 -5.921 1.300 1.00 0.00 O ATOM 439 CB SER A 33 -18.836 -6.746 4.079 1.00 0.00 C ATOM 440 OG SER A 33 -18.888 -5.473 4.699 1.00 0.00 O ATOM 0 H SER A 33 -16.505 -6.034 3.676 1.00 0.00 H new ATOM 0 HA SER A 33 -18.326 -7.619 2.183 1.00 0.00 H new ATOM 0 HB2 SER A 33 -19.839 -7.169 4.024 1.00 0.00 H new ATOM 0 HB3 SER A 33 -18.236 -7.425 4.685 1.00 0.00 H new ATOM 0 HG SER A 33 -19.540 -5.492 5.431 1.00 0.00 H new ATOM 446 N THR A 34 -18.475 -4.410 1.772 1.00 0.00 N ATOM 447 CA THR A 34 -19.113 -3.337 1.019 1.00 0.00 C ATOM 448 C THR A 34 -18.106 -2.257 0.640 1.00 0.00 C ATOM 449 O THR A 34 -16.942 -2.313 1.039 1.00 0.00 O ATOM 450 CB THR A 34 -20.262 -2.695 1.819 1.00 0.00 C ATOM 451 OG1 THR A 34 -21.020 -1.823 0.973 1.00 0.00 O ATOM 452 CG2 THR A 34 -19.722 -1.915 3.008 1.00 0.00 C ATOM 0 H THR A 34 -17.598 -4.146 2.221 1.00 0.00 H new ATOM 0 HA THR A 34 -19.519 -3.785 0.112 1.00 0.00 H new ATOM 0 HB THR A 34 -20.908 -3.491 2.190 1.00 0.00 H new ATOM 0 HG1 THR A 34 -21.750 -1.420 1.488 1.00 0.00 H new ATOM 0 HG21 THR A 34 -20.551 -1.470 3.558 1.00 0.00 H new ATOM 0 HG22 THR A 34 -19.170 -2.588 3.664 1.00 0.00 H new ATOM 0 HG23 THR A 34 -19.057 -1.127 2.655 1.00 0.00 H new ATOM 460 N ILE A 35 -18.561 -1.274 -0.130 1.00 0.00 N ATOM 461 CA ILE A 35 -17.699 -0.180 -0.560 1.00 0.00 C ATOM 462 C ILE A 35 -17.423 0.786 0.587 1.00 0.00 C ATOM 463 O ILE A 35 -18.307 1.076 1.394 1.00 0.00 O ATOM 464 CB ILE A 35 -18.322 0.599 -1.733 1.00 0.00 C ATOM 465 CG1 ILE A 35 -18.533 -0.326 -2.934 1.00 0.00 C ATOM 466 CG2 ILE A 35 -17.439 1.778 -2.115 1.00 0.00 C ATOM 467 CD1 ILE A 35 -19.883 -1.009 -2.941 1.00 0.00 C ATOM 0 H ILE A 35 -19.521 -1.213 -0.469 1.00 0.00 H new ATOM 0 HA ILE A 35 -16.761 -0.628 -0.889 1.00 0.00 H new ATOM 0 HB ILE A 35 -19.292 0.983 -1.419 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -18.423 0.252 -3.851 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -17.751 -1.085 -2.940 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -17.893 2.319 -2.946 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -17.335 2.447 -1.260 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -16.456 1.415 -2.413 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -19.963 -1.648 -3.820 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -19.989 -1.615 -2.041 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -20.671 -0.257 -2.967 1.00 0.00 H new ATOM 479 N ILE A 36 -16.192 1.281 0.653 1.00 0.00 N ATOM 480 CA ILE A 36 -15.801 2.216 1.700 1.00 0.00 C ATOM 481 C ILE A 36 -14.555 2.999 1.300 1.00 0.00 C ATOM 482 O ILE A 36 -13.701 2.495 0.571 1.00 0.00 O ATOM 483 CB ILE A 36 -15.532 1.491 3.032 1.00 0.00 C ATOM 484 CG1 ILE A 36 -15.345 2.505 4.162 1.00 0.00 C ATOM 485 CG2 ILE A 36 -14.308 0.595 2.909 1.00 0.00 C ATOM 486 CD1 ILE A 36 -15.758 1.981 5.519 1.00 0.00 C ATOM 0 H ILE A 36 -15.449 1.050 -0.006 1.00 0.00 H new ATOM 0 HA ILE A 36 -16.634 2.906 1.834 1.00 0.00 H new ATOM 0 HB ILE A 36 -16.393 0.867 3.269 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -14.298 2.805 4.201 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -15.924 3.400 3.936 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -14.130 0.089 3.858 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -14.477 -0.147 2.129 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -13.439 1.200 2.652 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -15.598 2.753 6.271 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -16.813 1.708 5.498 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -15.161 1.103 5.767 1.00 0.00 H new ATOM 498 N GLN A 37 -14.458 4.234 1.783 1.00 0.00 N ATOM 499 CA GLN A 37 -13.315 5.086 1.476 1.00 0.00 C ATOM 500 C GLN A 37 -12.253 4.985 2.565 1.00 0.00 C ATOM 501 O GLN A 37 -12.256 5.757 3.523 1.00 0.00 O ATOM 502 CB GLN A 37 -13.764 6.540 1.318 1.00 0.00 C ATOM 503 CG GLN A 37 -12.764 7.407 0.570 1.00 0.00 C ATOM 504 CD GLN A 37 -13.306 8.789 0.262 1.00 0.00 C ATOM 505 OE1 GLN A 37 -13.571 9.122 -0.893 1.00 0.00 O ATOM 506 NE2 GLN A 37 -13.475 9.603 1.298 1.00 0.00 N ATOM 0 H GLN A 37 -15.156 4.666 2.388 1.00 0.00 H new ATOM 0 HA GLN A 37 -12.880 4.743 0.537 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -14.718 6.562 0.790 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -13.936 6.968 2.306 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -11.855 7.501 1.164 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -12.486 6.914 -0.362 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -13.242 9.286 2.239 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -13.837 10.545 1.152 1.00 0.00 H new ATOM 515 N GLY A 38 -11.344 4.027 2.412 1.00 0.00 N ATOM 516 CA GLY A 38 -10.288 3.842 3.391 1.00 0.00 C ATOM 517 C GLY A 38 -8.975 4.461 2.951 1.00 0.00 C ATOM 518 O GLY A 38 -8.919 5.166 1.943 1.00 0.00 O ATOM 0 H GLY A 38 -11.320 3.375 1.628 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -10.595 4.283 4.339 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -10.143 2.776 3.567 1.00 0.00 H new ATOM 522 N THR A 39 -7.916 4.198 3.710 1.00 0.00 N ATOM 523 CA THR A 39 -6.598 4.736 3.396 1.00 0.00 C ATOM 524 C THR A 39 -5.510 3.693 3.623 1.00 0.00 C ATOM 525 O THR A 39 -5.603 2.875 4.538 1.00 0.00 O ATOM 526 CB THR A 39 -6.284 5.983 4.243 1.00 0.00 C ATOM 527 OG1 THR A 39 -7.191 7.041 3.914 1.00 0.00 O ATOM 528 CG2 THR A 39 -4.853 6.446 4.014 1.00 0.00 C ATOM 0 H THR A 39 -7.945 3.616 4.547 1.00 0.00 H new ATOM 0 HA THR A 39 -6.614 5.016 2.343 1.00 0.00 H new ATOM 0 HB THR A 39 -6.401 5.719 5.294 1.00 0.00 H new ATOM 0 HG1 THR A 39 -6.985 7.829 4.458 1.00 0.00 H new ATOM 0 HG21 THR A 39 -4.654 7.328 4.623 1.00 0.00 H new ATOM 0 HG22 THR A 39 -4.164 5.649 4.294 1.00 0.00 H new ATOM 0 HG23 THR A 39 -4.714 6.693 2.961 1.00 0.00 H new ATOM 536 N TRP A 40 -4.480 3.728 2.787 1.00 0.00 N ATOM 537 CA TRP A 40 -3.372 2.785 2.898 1.00 0.00 C ATOM 538 C TRP A 40 -2.303 3.311 3.848 1.00 0.00 C ATOM 539 O TRP A 40 -2.156 4.521 4.024 1.00 0.00 O ATOM 540 CB TRP A 40 -2.762 2.519 1.521 1.00 0.00 C ATOM 541 CG TRP A 40 -3.598 1.614 0.666 1.00 0.00 C ATOM 542 CD1 TRP A 40 -4.488 1.990 -0.299 1.00 0.00 C ATOM 543 CD2 TRP A 40 -3.621 0.183 0.701 1.00 0.00 C ATOM 544 NE1 TRP A 40 -5.064 0.879 -0.866 1.00 0.00 N ATOM 545 CE2 TRP A 40 -4.548 -0.242 -0.271 1.00 0.00 C ATOM 546 CE3 TRP A 40 -2.948 -0.781 1.457 1.00 0.00 C ATOM 547 CZ2 TRP A 40 -4.818 -1.588 -0.503 1.00 0.00 C ATOM 548 CZ3 TRP A 40 -3.217 -2.116 1.225 1.00 0.00 C ATOM 549 CH2 TRP A 40 -4.144 -2.510 0.252 1.00 0.00 C ATOM 0 H TRP A 40 -4.388 4.399 2.024 1.00 0.00 H new ATOM 0 HA TRP A 40 -3.762 1.851 3.302 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -2.622 3.468 1.004 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -1.774 2.076 1.648 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -4.707 3.011 -0.576 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -5.762 0.887 -1.609 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -2.231 -0.487 2.209 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -5.534 -1.894 -1.252 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -2.703 -2.869 1.804 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -4.331 -3.562 0.094 1.00 0.00 H new ATOM 560 N PHE A 41 -1.558 2.396 4.459 1.00 0.00 N ATOM 561 CA PHE A 41 -0.501 2.769 5.392 1.00 0.00 C ATOM 562 C PHE A 41 0.814 2.087 5.026 1.00 0.00 C ATOM 563 O PHE A 41 0.835 1.127 4.255 1.00 0.00 O ATOM 564 CB PHE A 41 -0.900 2.396 6.822 1.00 0.00 C ATOM 565 CG PHE A 41 -1.691 3.464 7.521 1.00 0.00 C ATOM 566 CD1 PHE A 41 -2.867 3.948 6.969 1.00 0.00 C ATOM 567 CD2 PHE A 41 -1.260 3.985 8.730 1.00 0.00 C ATOM 568 CE1 PHE A 41 -3.596 4.931 7.610 1.00 0.00 C ATOM 569 CE2 PHE A 41 -1.985 4.968 9.376 1.00 0.00 C ATOM 570 CZ PHE A 41 -3.155 5.441 8.816 1.00 0.00 C ATOM 0 H PHE A 41 -1.667 1.391 4.325 1.00 0.00 H new ATOM 0 HA PHE A 41 -0.360 3.848 5.330 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -1.486 1.477 6.799 1.00 0.00 H new ATOM 0 HB3 PHE A 41 0.001 2.186 7.399 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -3.217 3.552 6.027 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -0.346 3.618 9.173 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -4.510 5.301 7.169 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -1.637 5.366 10.318 1.00 0.00 H new ATOM 0 HZ PHE A 41 -3.724 6.208 9.320 1.00 0.00 H new ATOM 580 N LEU A 42 1.910 2.592 5.582 1.00 0.00 N ATOM 581 CA LEU A 42 3.231 2.033 5.314 1.00 0.00 C ATOM 582 C LEU A 42 4.181 2.300 6.477 1.00 0.00 C ATOM 583 O LEU A 42 4.407 3.448 6.856 1.00 0.00 O ATOM 584 CB LEU A 42 3.804 2.626 4.026 1.00 0.00 C ATOM 585 CG LEU A 42 5.045 1.932 3.463 1.00 0.00 C ATOM 586 CD1 LEU A 42 4.646 0.816 2.509 1.00 0.00 C ATOM 587 CD2 LEU A 42 5.947 2.937 2.762 1.00 0.00 C ATOM 0 H LEU A 42 1.910 3.387 6.221 1.00 0.00 H new ATOM 0 HA LEU A 42 3.126 0.955 5.195 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.025 2.609 3.264 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.049 3.672 4.209 1.00 0.00 H new ATOM 0 HG LEU A 42 5.599 1.493 4.293 1.00 0.00 H new ATOM 0 HD11 LEU A 42 5.542 0.334 2.118 1.00 0.00 H new ATOM 0 HD12 LEU A 42 4.041 0.082 3.041 1.00 0.00 H new ATOM 0 HD13 LEU A 42 4.069 1.232 1.683 1.00 0.00 H new ATOM 0 HD21 LEU A 42 6.825 2.425 2.368 1.00 0.00 H new ATOM 0 HD22 LEU A 42 5.402 3.406 1.943 1.00 0.00 H new ATOM 0 HD23 LEU A 42 6.261 3.701 3.473 1.00 0.00 H new ATOM 599 N ASN A 43 4.736 1.231 7.038 1.00 0.00 N ATOM 600 CA ASN A 43 5.663 1.349 8.157 1.00 0.00 C ATOM 601 C ASN A 43 4.981 1.986 9.364 1.00 0.00 C ATOM 602 O ASN A 43 5.602 2.732 10.120 1.00 0.00 O ATOM 603 CB ASN A 43 6.883 2.179 7.750 1.00 0.00 C ATOM 604 CG ASN A 43 7.492 1.709 6.444 1.00 0.00 C ATOM 605 OD1 ASN A 43 7.870 2.518 5.596 1.00 0.00 O ATOM 606 ND2 ASN A 43 7.589 0.396 6.275 1.00 0.00 N ATOM 0 H ASN A 43 4.560 0.273 6.736 1.00 0.00 H new ATOM 0 HA ASN A 43 5.989 0.346 8.433 1.00 0.00 H new ATOM 0 HB2 ASN A 43 6.592 3.225 7.656 1.00 0.00 H new ATOM 0 HB3 ASN A 43 7.634 2.126 8.538 1.00 0.00 H new ATOM 0 HD21 ASN A 43 7.990 0.021 5.415 1.00 0.00 H new ATOM 0 HD22 ASN A 43 7.263 -0.238 7.005 1.00 0.00 H new ATOM 613 N GLY A 44 3.698 1.684 9.539 1.00 0.00 N ATOM 614 CA GLY A 44 2.952 2.235 10.656 1.00 0.00 C ATOM 615 C GLY A 44 2.426 3.628 10.372 1.00 0.00 C ATOM 616 O GLY A 44 1.541 4.118 11.072 1.00 0.00 O ATOM 0 H GLY A 44 3.162 1.068 8.928 1.00 0.00 H new ATOM 0 HA2 GLY A 44 2.117 1.576 10.891 1.00 0.00 H new ATOM 0 HA3 GLY A 44 3.593 2.265 11.537 1.00 0.00 H new ATOM 620 N GLU A 45 2.973 4.267 9.343 1.00 0.00 N ATOM 621 CA GLU A 45 2.555 5.613 8.970 1.00 0.00 C ATOM 622 C GLU A 45 1.472 5.568 7.896 1.00 0.00 C ATOM 623 O GLU A 45 1.095 4.496 7.425 1.00 0.00 O ATOM 624 CB GLU A 45 3.752 6.423 8.470 1.00 0.00 C ATOM 625 CG GLU A 45 4.514 7.130 9.578 1.00 0.00 C ATOM 626 CD GLU A 45 5.981 7.326 9.245 1.00 0.00 C ATOM 627 OE1 GLU A 45 6.283 7.694 8.091 1.00 0.00 O ATOM 628 OE2 GLU A 45 6.825 7.112 10.140 1.00 0.00 O ATOM 0 H GLU A 45 3.706 3.874 8.753 1.00 0.00 H new ATOM 0 HA GLU A 45 2.144 6.097 9.856 1.00 0.00 H new ATOM 0 HB2 GLU A 45 4.433 5.758 7.939 1.00 0.00 H new ATOM 0 HB3 GLU A 45 3.404 7.164 7.750 1.00 0.00 H new ATOM 0 HG2 GLU A 45 4.055 8.101 9.767 1.00 0.00 H new ATOM 0 HG3 GLU A 45 4.428 6.552 10.498 1.00 0.00 H new ATOM 635 N GLU A 46 0.978 6.742 7.513 1.00 0.00 N ATOM 636 CA GLU A 46 -0.062 6.836 6.495 1.00 0.00 C ATOM 637 C GLU A 46 0.521 7.299 5.163 1.00 0.00 C ATOM 638 O GLU A 46 1.494 8.053 5.127 1.00 0.00 O ATOM 639 CB GLU A 46 -1.161 7.801 6.946 1.00 0.00 C ATOM 640 CG GLU A 46 -2.265 7.988 5.918 1.00 0.00 C ATOM 641 CD GLU A 46 -3.104 9.224 6.183 1.00 0.00 C ATOM 642 OE1 GLU A 46 -3.758 9.280 7.245 1.00 0.00 O ATOM 643 OE2 GLU A 46 -3.107 10.133 5.327 1.00 0.00 O ATOM 0 H GLU A 46 1.281 7.639 7.892 1.00 0.00 H new ATOM 0 HA GLU A 46 -0.492 5.844 6.358 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -1.598 7.432 7.874 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -0.714 8.770 7.167 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -1.823 8.059 4.924 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -2.909 7.109 5.918 1.00 0.00 H new ATOM 650 N LEU A 47 -0.080 6.842 4.071 1.00 0.00 N ATOM 651 CA LEU A 47 0.378 7.208 2.735 1.00 0.00 C ATOM 652 C LEU A 47 -0.368 8.434 2.220 1.00 0.00 C ATOM 653 O LEU A 47 -1.516 8.678 2.592 1.00 0.00 O ATOM 654 CB LEU A 47 0.186 6.037 1.770 1.00 0.00 C ATOM 655 CG LEU A 47 1.143 4.857 1.946 1.00 0.00 C ATOM 656 CD1 LEU A 47 0.606 3.624 1.237 1.00 0.00 C ATOM 657 CD2 LEU A 47 2.529 5.212 1.428 1.00 0.00 C ATOM 0 H LEU A 47 -0.886 6.217 4.084 1.00 0.00 H new ATOM 0 HA LEU A 47 1.439 7.451 2.796 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -0.835 5.670 1.875 1.00 0.00 H new ATOM 0 HB3 LEU A 47 0.287 6.412 0.751 1.00 0.00 H new ATOM 0 HG LEU A 47 1.222 4.633 3.010 1.00 0.00 H new ATOM 0 HD11 LEU A 47 1.300 2.795 1.373 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -0.364 3.357 1.656 1.00 0.00 H new ATOM 0 HD13 LEU A 47 0.497 3.835 0.173 1.00 0.00 H new ATOM 0 HD21 LEU A 47 3.196 4.361 1.561 1.00 0.00 H new ATOM 0 HD22 LEU A 47 2.468 5.463 0.369 1.00 0.00 H new ATOM 0 HD23 LEU A 47 2.916 6.067 1.982 1.00 0.00 H new ATOM 669 N LYS A 48 0.291 9.203 1.359 1.00 0.00 N ATOM 670 CA LYS A 48 -0.310 10.403 0.788 1.00 0.00 C ATOM 671 C LYS A 48 -0.214 10.388 -0.734 1.00 0.00 C ATOM 672 O LYS A 48 0.881 10.415 -1.296 1.00 0.00 O ATOM 673 CB LYS A 48 0.375 11.654 1.342 1.00 0.00 C ATOM 674 CG LYS A 48 1.798 11.839 0.843 1.00 0.00 C ATOM 675 CD LYS A 48 2.610 12.712 1.785 1.00 0.00 C ATOM 676 CE LYS A 48 2.496 14.183 1.419 1.00 0.00 C ATOM 677 NZ LYS A 48 3.530 14.589 0.426 1.00 0.00 N ATOM 0 H LYS A 48 1.242 9.016 1.041 1.00 0.00 H new ATOM 0 HA LYS A 48 -1.364 10.420 1.067 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -0.213 12.531 1.071 1.00 0.00 H new ATOM 0 HB3 LYS A 48 0.384 11.601 2.431 1.00 0.00 H new ATOM 0 HG2 LYS A 48 2.279 10.866 0.742 1.00 0.00 H new ATOM 0 HG3 LYS A 48 1.781 12.290 -0.149 1.00 0.00 H new ATOM 0 HD2 LYS A 48 2.266 12.563 2.808 1.00 0.00 H new ATOM 0 HD3 LYS A 48 3.656 12.408 1.753 1.00 0.00 H new ATOM 0 HE2 LYS A 48 1.504 14.380 1.012 1.00 0.00 H new ATOM 0 HE3 LYS A 48 2.598 14.790 2.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 3.247 15.483 -0.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 4.443 14.718 0.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 3.623 13.850 -0.300 1.00 0.00 H new ATOM 691 N SER A 49 -1.366 10.347 -1.395 1.00 0.00 N ATOM 692 CA SER A 49 -1.411 10.327 -2.852 1.00 0.00 C ATOM 693 C SER A 49 -1.299 11.739 -3.419 1.00 0.00 C ATOM 694 O SER A 49 -2.131 12.168 -4.217 1.00 0.00 O ATOM 695 CB SER A 49 -2.707 9.674 -3.335 1.00 0.00 C ATOM 696 OG SER A 49 -3.835 10.458 -2.987 1.00 0.00 O ATOM 0 H SER A 49 -2.281 10.327 -0.945 1.00 0.00 H new ATOM 0 HA SER A 49 -0.563 9.742 -3.208 1.00 0.00 H new ATOM 0 HB2 SER A 49 -2.671 9.544 -4.417 1.00 0.00 H new ATOM 0 HB3 SER A 49 -2.802 8.680 -2.897 1.00 0.00 H new ATOM 0 HG SER A 49 -3.766 11.337 -3.414 1.00 0.00 H new ATOM 702 N ASN A 50 -0.262 12.458 -2.999 1.00 0.00 N ATOM 703 CA ASN A 50 -0.040 13.822 -3.463 1.00 0.00 C ATOM 704 C ASN A 50 0.753 13.831 -4.766 1.00 0.00 C ATOM 705 O ASN A 50 1.041 12.779 -5.335 1.00 0.00 O ATOM 706 CB ASN A 50 0.700 14.632 -2.396 1.00 0.00 C ATOM 707 CG ASN A 50 -0.247 15.326 -1.437 1.00 0.00 C ATOM 708 OD1 ASN A 50 -1.204 14.726 -0.948 1.00 0.00 O ATOM 709 ND2 ASN A 50 0.017 16.599 -1.162 1.00 0.00 N ATOM 0 H ASN A 50 0.437 12.118 -2.338 1.00 0.00 H new ATOM 0 HA ASN A 50 -1.012 14.279 -3.647 1.00 0.00 H new ATOM 0 HB2 ASN A 50 1.361 13.971 -1.835 1.00 0.00 H new ATOM 0 HB3 ASN A 50 1.331 15.376 -2.882 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -0.585 17.118 -0.523 1.00 0.00 H new ATOM 0 HD22 ASN A 50 0.822 17.057 -1.590 1.00 0.00 H new ATOM 716 N GLU A 51 1.103 15.027 -5.231 1.00 0.00 N ATOM 717 CA GLU A 51 1.863 15.172 -6.467 1.00 0.00 C ATOM 718 C GLU A 51 3.147 15.962 -6.227 1.00 0.00 C ATOM 719 O GLU A 51 3.245 16.770 -5.303 1.00 0.00 O ATOM 720 CB GLU A 51 1.016 15.867 -7.534 1.00 0.00 C ATOM 721 CG GLU A 51 -0.164 15.036 -8.011 1.00 0.00 C ATOM 722 CD GLU A 51 0.246 13.652 -8.475 1.00 0.00 C ATOM 723 OE1 GLU A 51 0.570 13.499 -9.671 1.00 0.00 O ATOM 724 OE2 GLU A 51 0.243 12.723 -7.641 1.00 0.00 O ATOM 0 H GLU A 51 0.873 15.908 -4.771 1.00 0.00 H new ATOM 0 HA GLU A 51 2.130 14.175 -6.818 1.00 0.00 H new ATOM 0 HB2 GLU A 51 0.647 16.811 -7.134 1.00 0.00 H new ATOM 0 HB3 GLU A 51 1.649 16.108 -8.388 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -0.889 14.944 -7.202 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -0.663 15.556 -8.829 1.00 0.00 H new ATOM 731 N PRO A 52 4.156 15.723 -7.078 1.00 0.00 N ATOM 732 CA PRO A 52 5.451 16.402 -6.980 1.00 0.00 C ATOM 733 C PRO A 52 5.361 17.879 -7.346 1.00 0.00 C ATOM 734 O PRO A 52 4.271 18.446 -7.411 1.00 0.00 O ATOM 735 CB PRO A 52 6.322 15.652 -7.991 1.00 0.00 C ATOM 736 CG PRO A 52 5.358 15.090 -8.977 1.00 0.00 C ATOM 737 CD PRO A 52 4.109 14.773 -8.202 1.00 0.00 C ATOM 0 HA PRO A 52 5.844 16.386 -5.963 1.00 0.00 H new ATOM 0 HB2 PRO A 52 7.036 16.321 -8.472 1.00 0.00 H new ATOM 0 HB3 PRO A 52 6.900 14.864 -7.508 1.00 0.00 H new ATOM 0 HG2 PRO A 52 5.152 15.806 -9.773 1.00 0.00 H new ATOM 0 HG3 PRO A 52 5.761 14.195 -9.450 1.00 0.00 H new ATOM 0 HD2 PRO A 52 3.214 14.911 -8.808 1.00 0.00 H new ATOM 0 HD3 PRO A 52 4.102 13.740 -7.855 1.00 0.00 H new ATOM 745 N GLU A 53 6.514 18.496 -7.586 1.00 0.00 N ATOM 746 CA GLU A 53 6.564 19.908 -7.947 1.00 0.00 C ATOM 747 C GLU A 53 6.006 20.776 -6.822 1.00 0.00 C ATOM 748 O GLU A 53 5.240 21.707 -7.064 1.00 0.00 O ATOM 749 CB GLU A 53 5.778 20.156 -9.235 1.00 0.00 C ATOM 750 CG GLU A 53 6.423 19.548 -10.469 1.00 0.00 C ATOM 751 CD GLU A 53 5.934 20.183 -11.756 1.00 0.00 C ATOM 752 OE1 GLU A 53 6.338 21.328 -12.045 1.00 0.00 O ATOM 753 OE2 GLU A 53 5.146 19.533 -12.475 1.00 0.00 O ATOM 0 H GLU A 53 7.425 18.040 -7.537 1.00 0.00 H new ATOM 0 HA GLU A 53 7.607 20.179 -8.109 1.00 0.00 H new ATOM 0 HB2 GLU A 53 4.774 19.748 -9.122 1.00 0.00 H new ATOM 0 HB3 GLU A 53 5.670 21.230 -9.384 1.00 0.00 H new ATOM 0 HG2 GLU A 53 7.505 19.660 -10.401 1.00 0.00 H new ATOM 0 HG3 GLU A 53 6.214 18.478 -10.494 1.00 0.00 H new ATOM 760 N GLY A 54 6.397 20.463 -5.591 1.00 0.00 N ATOM 761 CA GLY A 54 5.927 21.222 -4.447 1.00 0.00 C ATOM 762 C GLY A 54 6.145 20.492 -3.137 1.00 0.00 C ATOM 763 O GLY A 54 7.174 20.668 -2.486 1.00 0.00 O ATOM 0 H GLY A 54 7.031 19.697 -5.365 1.00 0.00 H new ATOM 0 HA2 GLY A 54 6.443 22.182 -4.415 1.00 0.00 H new ATOM 0 HA3 GLY A 54 4.865 21.435 -4.568 1.00 0.00 H new ATOM 767 N GLN A 55 5.173 19.673 -2.749 1.00 0.00 N ATOM 768 CA GLN A 55 5.264 18.916 -1.506 1.00 0.00 C ATOM 769 C GLN A 55 6.430 17.934 -1.550 1.00 0.00 C ATOM 770 O GLN A 55 7.194 17.817 -0.592 1.00 0.00 O ATOM 771 CB GLN A 55 3.958 18.163 -1.246 1.00 0.00 C ATOM 772 CG GLN A 55 2.811 19.065 -0.817 1.00 0.00 C ATOM 773 CD GLN A 55 3.146 19.890 0.409 1.00 0.00 C ATOM 774 OE1 GLN A 55 3.712 19.383 1.378 1.00 0.00 O ATOM 775 NE2 GLN A 55 2.797 21.171 0.374 1.00 0.00 N ATOM 0 H GLN A 55 4.314 19.517 -3.277 1.00 0.00 H new ATOM 0 HA GLN A 55 5.437 19.621 -0.693 1.00 0.00 H new ATOM 0 HB2 GLN A 55 3.670 17.628 -2.151 1.00 0.00 H new ATOM 0 HB3 GLN A 55 4.128 17.413 -0.473 1.00 0.00 H new ATOM 0 HG2 GLN A 55 2.551 19.732 -1.639 1.00 0.00 H new ATOM 0 HG3 GLN A 55 1.931 18.455 -0.611 1.00 0.00 H new ATOM 0 HE21 GLN A 55 2.330 21.550 -0.450 1.00 0.00 H new ATOM 0 HE22 GLN A 55 2.997 21.776 1.171 1.00 0.00 H new ATOM 784 N VAL A 56 6.561 17.228 -2.669 1.00 0.00 N ATOM 785 CA VAL A 56 7.634 16.256 -2.839 1.00 0.00 C ATOM 786 C VAL A 56 8.315 16.420 -4.193 1.00 0.00 C ATOM 787 O VAL A 56 8.007 17.344 -4.945 1.00 0.00 O ATOM 788 CB VAL A 56 7.110 14.813 -2.712 1.00 0.00 C ATOM 789 CG1 VAL A 56 6.612 14.548 -1.300 1.00 0.00 C ATOM 790 CG2 VAL A 56 6.011 14.555 -3.731 1.00 0.00 C ATOM 0 H VAL A 56 5.937 17.311 -3.471 1.00 0.00 H new ATOM 0 HA VAL A 56 8.358 16.443 -2.046 1.00 0.00 H new ATOM 0 HB VAL A 56 7.932 14.127 -2.916 1.00 0.00 H new ATOM 0 HG11 VAL A 56 6.246 13.524 -1.230 1.00 0.00 H new ATOM 0 HG12 VAL A 56 7.429 14.690 -0.593 1.00 0.00 H new ATOM 0 HG13 VAL A 56 5.803 15.240 -1.064 1.00 0.00 H new ATOM 0 HG21 VAL A 56 5.652 13.531 -3.628 1.00 0.00 H new ATOM 0 HG22 VAL A 56 5.187 15.247 -3.560 1.00 0.00 H new ATOM 0 HG23 VAL A 56 6.405 14.701 -4.737 1.00 0.00 H new ATOM 800 N GLU A 57 9.243 15.518 -4.496 1.00 0.00 N ATOM 801 CA GLU A 57 9.968 15.564 -5.761 1.00 0.00 C ATOM 802 C GLU A 57 9.376 14.578 -6.764 1.00 0.00 C ATOM 803 O GLU A 57 8.864 13.518 -6.403 1.00 0.00 O ATOM 804 CB GLU A 57 11.449 15.252 -5.536 1.00 0.00 C ATOM 805 CG GLU A 57 11.704 13.842 -5.030 1.00 0.00 C ATOM 806 CD GLU A 57 13.182 13.520 -4.919 1.00 0.00 C ATOM 807 OE1 GLU A 57 13.914 14.307 -4.282 1.00 0.00 O ATOM 808 OE2 GLU A 57 13.607 12.483 -5.470 1.00 0.00 O ATOM 0 H GLU A 57 9.511 14.747 -3.884 1.00 0.00 H new ATOM 0 HA GLU A 57 9.873 16.571 -6.169 1.00 0.00 H new ATOM 0 HB2 GLU A 57 11.988 15.396 -6.472 1.00 0.00 H new ATOM 0 HB3 GLU A 57 11.857 15.965 -4.820 1.00 0.00 H new ATOM 0 HG2 GLU A 57 11.235 13.720 -4.054 1.00 0.00 H new ATOM 0 HG3 GLU A 57 11.230 13.127 -5.703 1.00 0.00 H new ATOM 815 N PRO A 58 9.446 14.934 -8.055 1.00 0.00 N ATOM 816 CA PRO A 58 8.923 14.096 -9.137 1.00 0.00 C ATOM 817 C PRO A 58 9.747 12.829 -9.340 1.00 0.00 C ATOM 818 O PRO A 58 10.967 12.837 -9.175 1.00 0.00 O ATOM 819 CB PRO A 58 9.022 15.001 -10.367 1.00 0.00 C ATOM 820 CG PRO A 58 10.114 15.962 -10.043 1.00 0.00 C ATOM 821 CD PRO A 58 10.043 16.183 -8.558 1.00 0.00 C ATOM 0 HA PRO A 58 7.912 13.746 -8.928 1.00 0.00 H new ATOM 0 HB2 PRO A 58 9.253 14.426 -11.264 1.00 0.00 H new ATOM 0 HB3 PRO A 58 8.081 15.519 -10.554 1.00 0.00 H new ATOM 0 HG2 PRO A 58 11.085 15.561 -10.332 1.00 0.00 H new ATOM 0 HG3 PRO A 58 9.982 16.899 -10.584 1.00 0.00 H new ATOM 0 HD2 PRO A 58 11.030 16.357 -8.130 1.00 0.00 H new ATOM 0 HD3 PRO A 58 9.430 17.050 -8.310 1.00 0.00 H new ATOM 829 N GLY A 59 9.074 11.741 -9.700 1.00 0.00 N ATOM 830 CA GLY A 59 9.761 10.482 -9.920 1.00 0.00 C ATOM 831 C GLY A 59 10.460 9.977 -8.673 1.00 0.00 C ATOM 832 O GLY A 59 11.452 9.255 -8.759 1.00 0.00 O ATOM 0 H GLY A 59 8.065 11.709 -9.843 1.00 0.00 H new ATOM 0 HA2 GLY A 59 9.044 9.734 -10.258 1.00 0.00 H new ATOM 0 HA3 GLY A 59 10.493 10.606 -10.718 1.00 0.00 H new ATOM 836 N ALA A 60 9.942 10.360 -7.511 1.00 0.00 N ATOM 837 CA ALA A 60 10.523 9.941 -6.241 1.00 0.00 C ATOM 838 C ALA A 60 10.312 8.449 -6.007 1.00 0.00 C ATOM 839 O ALA A 60 11.273 7.689 -5.877 1.00 0.00 O ATOM 840 CB ALA A 60 9.926 10.746 -5.096 1.00 0.00 C ATOM 0 H ALA A 60 9.122 10.959 -7.422 1.00 0.00 H new ATOM 0 HA ALA A 60 11.596 10.128 -6.281 1.00 0.00 H new ATOM 0 HB1 ALA A 60 10.369 10.422 -4.154 1.00 0.00 H new ATOM 0 HB2 ALA A 60 10.133 11.805 -5.249 1.00 0.00 H new ATOM 0 HB3 ALA A 60 8.848 10.588 -5.063 1.00 0.00 H new ATOM 846 N LEU A 61 9.051 8.036 -5.952 1.00 0.00 N ATOM 847 CA LEU A 61 8.715 6.633 -5.732 1.00 0.00 C ATOM 848 C LEU A 61 7.726 6.139 -6.784 1.00 0.00 C ATOM 849 O LEU A 61 7.096 6.936 -7.480 1.00 0.00 O ATOM 850 CB LEU A 61 8.126 6.443 -4.333 1.00 0.00 C ATOM 851 CG LEU A 61 6.638 6.758 -4.183 1.00 0.00 C ATOM 852 CD1 LEU A 61 6.050 6.006 -2.998 1.00 0.00 C ATOM 853 CD2 LEU A 61 6.422 8.256 -4.026 1.00 0.00 C ATOM 0 H LEU A 61 8.244 8.652 -6.057 1.00 0.00 H new ATOM 0 HA LEU A 61 9.630 6.047 -5.817 1.00 0.00 H new ATOM 0 HB2 LEU A 61 8.291 5.409 -4.029 1.00 0.00 H new ATOM 0 HB3 LEU A 61 8.682 7.072 -3.638 1.00 0.00 H new ATOM 0 HG LEU A 61 6.125 6.430 -5.087 1.00 0.00 H new ATOM 0 HD11 LEU A 61 4.990 6.243 -2.907 1.00 0.00 H new ATOM 0 HD12 LEU A 61 6.171 4.934 -3.151 1.00 0.00 H new ATOM 0 HD13 LEU A 61 6.568 6.302 -2.086 1.00 0.00 H new ATOM 0 HD21 LEU A 61 5.357 8.461 -3.921 1.00 0.00 H new ATOM 0 HD22 LEU A 61 6.949 8.609 -3.139 1.00 0.00 H new ATOM 0 HD23 LEU A 61 6.806 8.773 -4.906 1.00 0.00 H new ATOM 865 N ARG A 62 7.594 4.821 -6.891 1.00 0.00 N ATOM 866 CA ARG A 62 6.681 4.221 -7.857 1.00 0.00 C ATOM 867 C ARG A 62 5.637 3.358 -7.154 1.00 0.00 C ATOM 868 O ARG A 62 5.974 2.387 -6.476 1.00 0.00 O ATOM 869 CB ARG A 62 7.458 3.378 -8.870 1.00 0.00 C ATOM 870 CG ARG A 62 8.004 4.181 -10.039 1.00 0.00 C ATOM 871 CD ARG A 62 9.214 3.503 -10.663 1.00 0.00 C ATOM 872 NE ARG A 62 9.416 3.912 -12.050 1.00 0.00 N ATOM 873 CZ ARG A 62 8.565 3.629 -13.031 1.00 0.00 C ATOM 874 NH1 ARG A 62 7.461 2.940 -12.776 1.00 0.00 N ATOM 875 NH2 ARG A 62 8.818 4.035 -14.268 1.00 0.00 N ATOM 0 H ARG A 62 8.107 4.148 -6.321 1.00 0.00 H new ATOM 0 HA ARG A 62 6.168 5.026 -8.383 1.00 0.00 H new ATOM 0 HB2 ARG A 62 8.286 2.885 -8.361 1.00 0.00 H new ATOM 0 HB3 ARG A 62 6.806 2.593 -9.253 1.00 0.00 H new ATOM 0 HG2 ARG A 62 7.226 4.304 -10.792 1.00 0.00 H new ATOM 0 HG3 ARG A 62 8.280 5.179 -9.699 1.00 0.00 H new ATOM 0 HD2 ARG A 62 10.104 3.743 -10.081 1.00 0.00 H new ATOM 0 HD3 ARG A 62 9.086 2.421 -10.619 1.00 0.00 H new ATOM 0 HE ARG A 62 10.256 4.444 -12.279 1.00 0.00 H new ATOM 0 HH11 ARG A 62 7.264 2.626 -11.826 1.00 0.00 H new ATOM 0 HH12 ARG A 62 6.809 2.724 -13.530 1.00 0.00 H new ATOM 0 HH21 ARG A 62 9.666 4.565 -14.467 1.00 0.00 H new ATOM 0 HH22 ARG A 62 8.164 3.817 -15.020 1.00 0.00 H new ATOM 889 N TYR A 63 4.370 3.719 -7.321 1.00 0.00 N ATOM 890 CA TYR A 63 3.277 2.980 -6.701 1.00 0.00 C ATOM 891 C TYR A 63 1.955 3.265 -7.408 1.00 0.00 C ATOM 892 O TYR A 63 1.845 4.219 -8.179 1.00 0.00 O ATOM 893 CB TYR A 63 3.164 3.343 -5.219 1.00 0.00 C ATOM 894 CG TYR A 63 2.774 4.783 -4.977 1.00 0.00 C ATOM 895 CD1 TYR A 63 3.532 5.825 -5.497 1.00 0.00 C ATOM 896 CD2 TYR A 63 1.650 5.103 -4.226 1.00 0.00 C ATOM 897 CE1 TYR A 63 3.180 7.143 -5.278 1.00 0.00 C ATOM 898 CE2 TYR A 63 1.290 6.418 -4.003 1.00 0.00 C ATOM 899 CZ TYR A 63 2.058 7.434 -4.531 1.00 0.00 C ATOM 900 OH TYR A 63 1.704 8.745 -4.309 1.00 0.00 O ATOM 0 H TYR A 63 4.074 4.519 -7.881 1.00 0.00 H new ATOM 0 HA TYR A 63 3.495 1.916 -6.792 1.00 0.00 H new ATOM 0 HB2 TYR A 63 2.427 2.692 -4.749 1.00 0.00 H new ATOM 0 HB3 TYR A 63 4.119 3.147 -4.732 1.00 0.00 H new ATOM 0 HD1 TYR A 63 4.411 5.601 -6.082 1.00 0.00 H new ATOM 0 HD2 TYR A 63 1.047 4.310 -3.809 1.00 0.00 H new ATOM 0 HE1 TYR A 63 3.780 7.941 -5.690 1.00 0.00 H new ATOM 0 HE2 TYR A 63 0.412 6.649 -3.418 1.00 0.00 H new ATOM 0 HH TYR A 63 1.996 9.295 -5.065 1.00 0.00 H new ATOM 910 N ARG A 64 0.956 2.432 -7.139 1.00 0.00 N ATOM 911 CA ARG A 64 -0.359 2.593 -7.749 1.00 0.00 C ATOM 912 C ARG A 64 -1.466 2.286 -6.745 1.00 0.00 C ATOM 913 O ARG A 64 -1.478 1.222 -6.126 1.00 0.00 O ATOM 914 CB ARG A 64 -0.494 1.679 -8.968 1.00 0.00 C ATOM 915 CG ARG A 64 -1.774 1.902 -9.757 1.00 0.00 C ATOM 916 CD ARG A 64 -2.009 0.787 -10.764 1.00 0.00 C ATOM 917 NE ARG A 64 -2.713 -0.347 -10.171 1.00 0.00 N ATOM 918 CZ ARG A 64 -3.278 -1.316 -10.883 1.00 0.00 C ATOM 919 NH1 ARG A 64 -3.222 -1.288 -12.207 1.00 0.00 N ATOM 920 NH2 ARG A 64 -3.900 -2.315 -10.270 1.00 0.00 N ATOM 0 H ARG A 64 1.031 1.638 -6.503 1.00 0.00 H new ATOM 0 HA ARG A 64 -0.459 3.631 -8.068 1.00 0.00 H new ATOM 0 HB2 ARG A 64 0.361 1.836 -9.626 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -0.456 0.641 -8.639 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -2.620 1.959 -9.072 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -1.720 2.858 -10.277 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -2.586 1.173 -11.604 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -1.052 0.451 -11.163 1.00 0.00 H new ATOM 0 HE ARG A 64 -2.774 -0.398 -9.154 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -2.744 -0.522 -12.681 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -3.656 -2.033 -12.752 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -3.945 -2.339 -9.251 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -4.333 -3.058 -10.818 1.00 0.00 H new ATOM 934 N ILE A 65 -2.392 3.226 -6.588 1.00 0.00 N ATOM 935 CA ILE A 65 -3.503 3.055 -5.660 1.00 0.00 C ATOM 936 C ILE A 65 -4.824 2.901 -6.405 1.00 0.00 C ATOM 937 O ILE A 65 -5.274 3.821 -7.087 1.00 0.00 O ATOM 938 CB ILE A 65 -3.611 4.245 -4.687 1.00 0.00 C ATOM 939 CG1 ILE A 65 -2.361 4.330 -3.810 1.00 0.00 C ATOM 940 CG2 ILE A 65 -4.860 4.114 -3.828 1.00 0.00 C ATOM 941 CD1 ILE A 65 -2.326 5.557 -2.925 1.00 0.00 C ATOM 0 H ILE A 65 -2.395 4.113 -7.091 1.00 0.00 H new ATOM 0 HA ILE A 65 -3.302 2.147 -5.091 1.00 0.00 H new ATOM 0 HB ILE A 65 -3.687 5.165 -5.267 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -2.305 3.439 -3.185 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -1.478 4.327 -4.449 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -4.923 4.962 -3.146 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -5.742 4.097 -4.468 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -4.811 3.189 -3.254 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -1.412 5.551 -2.331 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -2.351 6.453 -3.545 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -3.190 5.551 -2.261 1.00 0.00 H new ATOM 953 N GLU A 66 -5.441 1.731 -6.269 1.00 0.00 N ATOM 954 CA GLU A 66 -6.712 1.457 -6.929 1.00 0.00 C ATOM 955 C GLU A 66 -7.802 1.151 -5.906 1.00 0.00 C ATOM 956 O GLU A 66 -7.636 0.284 -5.048 1.00 0.00 O ATOM 957 CB GLU A 66 -6.564 0.284 -7.900 1.00 0.00 C ATOM 958 CG GLU A 66 -5.546 0.529 -9.001 1.00 0.00 C ATOM 959 CD GLU A 66 -6.054 1.483 -10.064 1.00 0.00 C ATOM 960 OE1 GLU A 66 -7.197 1.296 -10.531 1.00 0.00 O ATOM 961 OE2 GLU A 66 -5.309 2.416 -10.430 1.00 0.00 O ATOM 0 H GLU A 66 -5.081 0.959 -5.708 1.00 0.00 H new ATOM 0 HA GLU A 66 -7.002 2.347 -7.487 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -6.274 -0.605 -7.340 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -7.533 0.074 -8.353 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -4.633 0.932 -8.563 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -5.284 -0.421 -9.466 1.00 0.00 H new ATOM 968 N GLN A 67 -8.916 1.869 -6.004 1.00 0.00 N ATOM 969 CA GLN A 67 -10.033 1.675 -5.087 1.00 0.00 C ATOM 970 C GLN A 67 -11.315 1.359 -5.849 1.00 0.00 C ATOM 971 O GLN A 67 -11.945 2.249 -6.422 1.00 0.00 O ATOM 972 CB GLN A 67 -10.232 2.921 -4.223 1.00 0.00 C ATOM 973 CG GLN A 67 -11.125 2.687 -3.015 1.00 0.00 C ATOM 974 CD GLN A 67 -11.917 3.920 -2.627 1.00 0.00 C ATOM 975 OE1 GLN A 67 -11.357 5.003 -2.456 1.00 0.00 O ATOM 976 NE2 GLN A 67 -13.228 3.762 -2.486 1.00 0.00 N ATOM 0 H GLN A 67 -9.069 2.590 -6.709 1.00 0.00 H new ATOM 0 HA GLN A 67 -9.798 0.828 -4.442 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -9.259 3.276 -3.882 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -10.663 3.713 -4.836 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -11.814 1.870 -3.230 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -10.512 2.373 -2.170 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -13.651 2.846 -2.638 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -13.812 4.557 -2.226 1.00 0.00 H new ATOM 985 N LYS A 68 -11.697 0.087 -5.854 1.00 0.00 N ATOM 986 CA LYS A 68 -12.905 -0.347 -6.545 1.00 0.00 C ATOM 987 C LYS A 68 -13.896 -0.973 -5.569 1.00 0.00 C ATOM 988 O LYS A 68 -13.949 -2.193 -5.419 1.00 0.00 O ATOM 989 CB LYS A 68 -12.555 -1.352 -7.646 1.00 0.00 C ATOM 990 CG LYS A 68 -13.681 -1.585 -8.637 1.00 0.00 C ATOM 991 CD LYS A 68 -13.798 -0.440 -9.629 1.00 0.00 C ATOM 992 CE LYS A 68 -14.519 -0.871 -10.897 1.00 0.00 C ATOM 993 NZ LYS A 68 -15.996 -0.725 -10.772 1.00 0.00 N ATOM 0 H LYS A 68 -11.187 -0.662 -5.387 1.00 0.00 H new ATOM 0 HA LYS A 68 -13.370 0.530 -6.995 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -11.676 -0.997 -8.184 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -12.285 -2.302 -7.186 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -13.506 -2.517 -9.175 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -14.622 -1.699 -8.099 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -14.335 0.389 -9.168 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -12.803 -0.073 -9.882 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -14.165 -0.274 -11.737 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -14.274 -1.910 -11.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -16.451 -1.029 -11.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -16.338 -1.315 -9.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -16.232 0.271 -10.586 1.00 0.00 H new ATOM 1007 N GLY A 69 -14.681 -0.128 -4.907 1.00 0.00 N ATOM 1008 CA GLY A 69 -15.661 -0.617 -3.954 1.00 0.00 C ATOM 1009 C GLY A 69 -15.030 -1.425 -2.837 1.00 0.00 C ATOM 1010 O GLY A 69 -14.162 -0.929 -2.117 1.00 0.00 O ATOM 0 H GLY A 69 -14.656 0.886 -5.014 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -16.201 0.228 -3.527 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -16.394 -1.233 -4.475 1.00 0.00 H new ATOM 1014 N LEU A 70 -15.467 -2.671 -2.691 1.00 0.00 N ATOM 1015 CA LEU A 70 -14.940 -3.549 -1.652 1.00 0.00 C ATOM 1016 C LEU A 70 -13.657 -4.232 -2.115 1.00 0.00 C ATOM 1017 O LEU A 70 -13.394 -5.381 -1.762 1.00 0.00 O ATOM 1018 CB LEU A 70 -15.982 -4.601 -1.269 1.00 0.00 C ATOM 1019 CG LEU A 70 -16.974 -4.993 -2.365 1.00 0.00 C ATOM 1020 CD1 LEU A 70 -17.359 -6.458 -2.238 1.00 0.00 C ATOM 1021 CD2 LEU A 70 -18.211 -4.108 -2.306 1.00 0.00 C ATOM 0 H LEU A 70 -16.184 -3.096 -3.279 1.00 0.00 H new ATOM 0 HA LEU A 70 -14.710 -2.940 -0.778 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -15.459 -5.500 -0.942 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -16.545 -4.231 -0.412 1.00 0.00 H new ATOM 0 HG LEU A 70 -16.493 -4.848 -3.332 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -18.065 -6.718 -3.026 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -16.467 -7.078 -2.331 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -17.821 -6.630 -1.266 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -18.906 -4.401 -3.093 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -18.693 -4.221 -1.335 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -17.921 -3.067 -2.448 1.00 0.00 H new ATOM 1033 N GLN A 71 -12.863 -3.516 -2.904 1.00 0.00 N ATOM 1034 CA GLN A 71 -11.607 -4.053 -3.414 1.00 0.00 C ATOM 1035 C GLN A 71 -10.541 -2.966 -3.490 1.00 0.00 C ATOM 1036 O GLN A 71 -10.573 -2.112 -4.377 1.00 0.00 O ATOM 1037 CB GLN A 71 -11.818 -4.676 -4.795 1.00 0.00 C ATOM 1038 CG GLN A 71 -10.707 -5.628 -5.209 1.00 0.00 C ATOM 1039 CD GLN A 71 -10.958 -6.266 -6.560 1.00 0.00 C ATOM 1040 OE1 GLN A 71 -11.285 -7.450 -6.650 1.00 0.00 O ATOM 1041 NE2 GLN A 71 -10.807 -5.483 -7.622 1.00 0.00 N ATOM 0 H GLN A 71 -13.067 -2.563 -3.204 1.00 0.00 H new ATOM 0 HA GLN A 71 -11.264 -4.824 -2.724 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -12.766 -5.213 -4.801 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -11.898 -3.880 -5.535 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -9.762 -5.086 -5.237 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -10.604 -6.409 -4.456 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -10.535 -4.507 -7.502 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -10.963 -5.857 -8.558 1.00 0.00 H new ATOM 1050 N HIS A 72 -9.597 -3.002 -2.555 1.00 0.00 N ATOM 1051 CA HIS A 72 -8.520 -2.019 -2.516 1.00 0.00 C ATOM 1052 C HIS A 72 -7.171 -2.680 -2.783 1.00 0.00 C ATOM 1053 O HIS A 72 -6.803 -3.650 -2.120 1.00 0.00 O ATOM 1054 CB HIS A 72 -8.496 -1.310 -1.162 1.00 0.00 C ATOM 1055 CG HIS A 72 -9.805 -0.687 -0.788 1.00 0.00 C ATOM 1056 ND1 HIS A 72 -10.002 0.677 -0.738 1.00 0.00 N ATOM 1057 CD2 HIS A 72 -10.989 -1.249 -0.448 1.00 0.00 C ATOM 1058 CE1 HIS A 72 -11.249 0.927 -0.380 1.00 0.00 C ATOM 1059 NE2 HIS A 72 -11.869 -0.225 -0.199 1.00 0.00 N ATOM 0 H HIS A 72 -9.556 -3.702 -1.814 1.00 0.00 H new ATOM 0 HA HIS A 72 -8.705 -1.283 -3.299 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -8.211 -2.026 -0.391 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -7.727 -0.537 -1.179 1.00 0.00 H new ATOM 0 HD1 HIS A 72 -9.295 1.383 -0.945 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -11.202 -2.306 -0.384 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -11.687 1.907 -0.256 1.00 0.00 H new ATOM 1067 N ARG A 73 -6.439 -2.149 -3.756 1.00 0.00 N ATOM 1068 CA ARG A 73 -5.132 -2.689 -4.111 1.00 0.00 C ATOM 1069 C ARG A 73 -4.072 -1.592 -4.111 1.00 0.00 C ATOM 1070 O ARG A 73 -4.343 -0.452 -4.491 1.00 0.00 O ATOM 1071 CB ARG A 73 -5.189 -3.358 -5.486 1.00 0.00 C ATOM 1072 CG ARG A 73 -3.962 -4.197 -5.806 1.00 0.00 C ATOM 1073 CD ARG A 73 -4.026 -4.759 -7.218 1.00 0.00 C ATOM 1074 NE ARG A 73 -2.696 -5.020 -7.763 1.00 0.00 N ATOM 1075 CZ ARG A 73 -2.482 -5.471 -8.994 1.00 0.00 C ATOM 1076 NH1 ARG A 73 -3.505 -5.708 -9.804 1.00 0.00 N ATOM 1077 NH2 ARG A 73 -1.243 -5.684 -9.417 1.00 0.00 N ATOM 0 H ARG A 73 -6.729 -1.345 -4.313 1.00 0.00 H new ATOM 0 HA ARG A 73 -4.859 -3.434 -3.363 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -6.075 -3.991 -5.536 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -5.303 -2.589 -6.250 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -3.064 -3.588 -5.695 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -3.882 -5.015 -5.090 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -4.604 -5.683 -7.215 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -4.551 -4.056 -7.865 1.00 0.00 H new ATOM 0 HE ARG A 73 -1.888 -4.846 -7.166 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -4.459 -5.544 -9.482 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -3.338 -6.054 -10.749 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -0.454 -5.502 -8.797 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -1.079 -6.030 -10.362 1.00 0.00 H new ATOM 1091 N LEU A 74 -2.865 -1.943 -3.682 1.00 0.00 N ATOM 1092 CA LEU A 74 -1.763 -0.988 -3.632 1.00 0.00 C ATOM 1093 C LEU A 74 -0.453 -1.646 -4.052 1.00 0.00 C ATOM 1094 O LEU A 74 0.123 -2.437 -3.305 1.00 0.00 O ATOM 1095 CB LEU A 74 -1.628 -0.409 -2.223 1.00 0.00 C ATOM 1096 CG LEU A 74 -0.313 0.308 -1.915 1.00 0.00 C ATOM 1097 CD1 LEU A 74 -0.131 1.506 -2.833 1.00 0.00 C ATOM 1098 CD2 LEU A 74 -0.269 0.740 -0.457 1.00 0.00 C ATOM 0 H LEU A 74 -2.624 -2.882 -3.364 1.00 0.00 H new ATOM 0 HA LEU A 74 -1.982 -0.180 -4.330 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -2.447 0.291 -2.060 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -1.753 -1.220 -1.505 1.00 0.00 H new ATOM 0 HG LEU A 74 0.507 -0.388 -2.092 1.00 0.00 H new ATOM 0 HD11 LEU A 74 0.810 2.004 -2.599 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -0.116 1.171 -3.870 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -0.956 2.204 -2.689 1.00 0.00 H new ATOM 0 HD21 LEU A 74 0.674 1.248 -0.256 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -1.097 1.418 -0.253 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -0.352 -0.137 0.185 1.00 0.00 H new ATOM 1110 N ILE A 75 0.014 -1.311 -5.251 1.00 0.00 N ATOM 1111 CA ILE A 75 1.258 -1.867 -5.768 1.00 0.00 C ATOM 1112 C ILE A 75 2.411 -0.884 -5.599 1.00 0.00 C ATOM 1113 O ILE A 75 2.288 0.297 -5.928 1.00 0.00 O ATOM 1114 CB ILE A 75 1.131 -2.242 -7.256 1.00 0.00 C ATOM 1115 CG1 ILE A 75 -0.162 -3.022 -7.500 1.00 0.00 C ATOM 1116 CG2 ILE A 75 2.338 -3.054 -7.702 1.00 0.00 C ATOM 1117 CD1 ILE A 75 -1.343 -2.142 -7.846 1.00 0.00 C ATOM 0 H ILE A 75 -0.451 -0.658 -5.882 1.00 0.00 H new ATOM 0 HA ILE A 75 1.465 -2.768 -5.191 1.00 0.00 H new ATOM 0 HB ILE A 75 1.096 -1.325 -7.845 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -0.000 -3.734 -8.310 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -0.400 -3.602 -6.609 1.00 0.00 H new ATOM 0 HG21 ILE A 75 2.234 -3.312 -8.756 1.00 0.00 H new ATOM 0 HG22 ILE A 75 3.245 -2.466 -7.560 1.00 0.00 H new ATOM 0 HG23 ILE A 75 2.401 -3.967 -7.110 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -2.225 -2.763 -8.006 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -1.531 -1.447 -7.027 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -1.125 -1.581 -8.755 1.00 0.00 H new ATOM 1129 N LEU A 76 3.533 -1.378 -5.087 1.00 0.00 N ATOM 1130 CA LEU A 76 4.711 -0.543 -4.876 1.00 0.00 C ATOM 1131 C LEU A 76 5.892 -1.052 -5.696 1.00 0.00 C ATOM 1132 O LEU A 76 6.588 -1.983 -5.290 1.00 0.00 O ATOM 1133 CB LEU A 76 5.080 -0.514 -3.392 1.00 0.00 C ATOM 1134 CG LEU A 76 3.952 -0.149 -2.426 1.00 0.00 C ATOM 1135 CD1 LEU A 76 4.293 -0.597 -1.014 1.00 0.00 C ATOM 1136 CD2 LEU A 76 3.683 1.348 -2.463 1.00 0.00 C ATOM 0 H LEU A 76 3.652 -2.352 -4.810 1.00 0.00 H new ATOM 0 HA LEU A 76 4.473 0.469 -5.205 1.00 0.00 H new ATOM 0 HB2 LEU A 76 5.465 -1.495 -3.115 1.00 0.00 H new ATOM 0 HB3 LEU A 76 5.894 0.198 -3.254 1.00 0.00 H new ATOM 0 HG LEU A 76 3.047 -0.668 -2.741 1.00 0.00 H new ATOM 0 HD11 LEU A 76 3.479 -0.329 -0.341 1.00 0.00 H new ATOM 0 HD12 LEU A 76 4.435 -1.678 -0.999 1.00 0.00 H new ATOM 0 HD13 LEU A 76 5.210 -0.106 -0.688 1.00 0.00 H new ATOM 0 HD21 LEU A 76 2.878 1.590 -1.770 1.00 0.00 H new ATOM 0 HD22 LEU A 76 4.585 1.887 -2.174 1.00 0.00 H new ATOM 0 HD23 LEU A 76 3.393 1.641 -3.472 1.00 0.00 H new ATOM 1148 N HIS A 77 6.113 -0.433 -6.852 1.00 0.00 N ATOM 1149 CA HIS A 77 7.213 -0.821 -7.728 1.00 0.00 C ATOM 1150 C HIS A 77 8.521 -0.180 -7.275 1.00 0.00 C ATOM 1151 O HIS A 77 8.547 0.981 -6.870 1.00 0.00 O ATOM 1152 CB HIS A 77 6.908 -0.420 -9.172 1.00 0.00 C ATOM 1153 CG HIS A 77 5.451 -0.471 -9.513 1.00 0.00 C ATOM 1154 ND1 HIS A 77 4.439 0.374 -9.203 1.00 0.00 N flip ATOM 1155 CD2 HIS A 77 4.887 -1.484 -10.259 1.00 0.00 C flip ATOM 1156 CE1 HIS A 77 3.295 -0.138 -9.763 1.00 0.00 C flip ATOM 1157 NE2 HIS A 77 3.592 -1.259 -10.395 1.00 0.00 N flip ATOM 0 H HIS A 77 5.546 0.338 -7.203 1.00 0.00 H new ATOM 0 HA HIS A 77 7.323 -1.904 -7.675 1.00 0.00 H new ATOM 0 HB2 HIS A 77 7.278 0.590 -9.346 1.00 0.00 H new ATOM 0 HB3 HIS A 77 7.454 -1.080 -9.847 1.00 0.00 H new ATOM 0 HD2 HIS A 77 5.420 -2.329 -10.668 1.00 0.00 H new ATOM 0 HE1 HIS A 77 2.312 0.304 -9.697 1.00 0.00 H new ATOM 0 HE2 HIS A 77 2.934 -1.851 -10.902 1.00 0.00 H new ATOM 1166 N ALA A 78 9.605 -0.946 -7.345 1.00 0.00 N ATOM 1167 CA ALA A 78 10.916 -0.453 -6.943 1.00 0.00 C ATOM 1168 C ALA A 78 11.034 -0.379 -5.425 1.00 0.00 C ATOM 1169 O ALA A 78 11.376 0.664 -4.868 1.00 0.00 O ATOM 1170 CB ALA A 78 11.179 0.913 -7.561 1.00 0.00 C ATOM 0 H ALA A 78 9.601 -1.911 -7.677 1.00 0.00 H new ATOM 0 HA ALA A 78 11.667 -1.155 -7.306 1.00 0.00 H new ATOM 0 HB1 ALA A 78 12.162 1.269 -7.252 1.00 0.00 H new ATOM 0 HB2 ALA A 78 11.147 0.833 -8.648 1.00 0.00 H new ATOM 0 HB3 ALA A 78 10.417 1.617 -7.226 1.00 0.00 H new ATOM 1176 N VAL A 79 10.747 -1.494 -4.759 1.00 0.00 N ATOM 1177 CA VAL A 79 10.821 -1.555 -3.304 1.00 0.00 C ATOM 1178 C VAL A 79 12.261 -1.721 -2.833 1.00 0.00 C ATOM 1179 O VAL A 79 12.955 -2.655 -3.237 1.00 0.00 O ATOM 1180 CB VAL A 79 9.974 -2.716 -2.748 1.00 0.00 C ATOM 1181 CG1 VAL A 79 8.502 -2.505 -3.070 1.00 0.00 C ATOM 1182 CG2 VAL A 79 10.464 -4.045 -3.302 1.00 0.00 C ATOM 0 H VAL A 79 10.461 -2.366 -5.204 1.00 0.00 H new ATOM 0 HA VAL A 79 10.425 -0.612 -2.927 1.00 0.00 H new ATOM 0 HB VAL A 79 10.085 -2.737 -1.664 1.00 0.00 H new ATOM 0 HG11 VAL A 79 7.919 -3.335 -2.670 1.00 0.00 H new ATOM 0 HG12 VAL A 79 8.161 -1.572 -2.621 1.00 0.00 H new ATOM 0 HG13 VAL A 79 8.369 -2.457 -4.151 1.00 0.00 H new ATOM 0 HG21 VAL A 79 9.855 -4.854 -2.899 1.00 0.00 H new ATOM 0 HG22 VAL A 79 10.384 -4.038 -4.389 1.00 0.00 H new ATOM 0 HG23 VAL A 79 11.505 -4.197 -3.016 1.00 0.00 H new ATOM 1192 N LYS A 80 12.707 -0.808 -1.976 1.00 0.00 N ATOM 1193 CA LYS A 80 14.065 -0.853 -1.448 1.00 0.00 C ATOM 1194 C LYS A 80 14.174 -1.867 -0.314 1.00 0.00 C ATOM 1195 O LYS A 80 13.247 -2.029 0.480 1.00 0.00 O ATOM 1196 CB LYS A 80 14.485 0.532 -0.949 1.00 0.00 C ATOM 1197 CG LYS A 80 14.604 1.566 -2.055 1.00 0.00 C ATOM 1198 CD LYS A 80 13.241 2.083 -2.484 1.00 0.00 C ATOM 1199 CE LYS A 80 13.366 3.232 -3.473 1.00 0.00 C ATOM 1200 NZ LYS A 80 13.963 2.790 -4.764 1.00 0.00 N ATOM 0 H LYS A 80 12.147 -0.028 -1.633 1.00 0.00 H new ATOM 0 HA LYS A 80 14.732 -1.161 -2.253 1.00 0.00 H new ATOM 0 HB2 LYS A 80 13.759 0.880 -0.214 1.00 0.00 H new ATOM 0 HB3 LYS A 80 15.443 0.449 -0.436 1.00 0.00 H new ATOM 0 HG2 LYS A 80 15.218 2.398 -1.712 1.00 0.00 H new ATOM 0 HG3 LYS A 80 15.114 1.126 -2.912 1.00 0.00 H new ATOM 0 HD2 LYS A 80 12.669 1.273 -2.937 1.00 0.00 H new ATOM 0 HD3 LYS A 80 12.684 2.415 -1.608 1.00 0.00 H new ATOM 0 HE2 LYS A 80 12.381 3.662 -3.657 1.00 0.00 H new ATOM 0 HE3 LYS A 80 13.982 4.020 -3.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 13.969 3.585 -5.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 14.938 2.466 -4.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 13.399 2.010 -5.158 1.00 0.00 H new ATOM 1214 N HIS A 81 15.314 -2.549 -0.244 1.00 0.00 N ATOM 1215 CA HIS A 81 15.545 -3.547 0.794 1.00 0.00 C ATOM 1216 C HIS A 81 15.647 -2.889 2.167 1.00 0.00 C ATOM 1217 O HIS A 81 15.414 -3.530 3.191 1.00 0.00 O ATOM 1218 CB HIS A 81 16.821 -4.335 0.498 1.00 0.00 C ATOM 1219 CG HIS A 81 17.237 -5.243 1.614 1.00 0.00 C ATOM 1220 ND1 HIS A 81 16.584 -6.421 1.909 1.00 0.00 N ATOM 1221 CD2 HIS A 81 18.248 -5.141 2.508 1.00 0.00 C ATOM 1222 CE1 HIS A 81 17.174 -7.004 2.937 1.00 0.00 C ATOM 1223 NE2 HIS A 81 18.187 -6.248 3.319 1.00 0.00 N ATOM 0 H HIS A 81 16.091 -2.428 -0.894 1.00 0.00 H new ATOM 0 HA HIS A 81 14.697 -4.232 0.800 1.00 0.00 H new ATOM 0 HB2 HIS A 81 16.671 -4.927 -0.405 1.00 0.00 H new ATOM 0 HB3 HIS A 81 17.630 -3.635 0.289 1.00 0.00 H new ATOM 0 HD1 HIS A 81 15.772 -6.785 1.411 1.00 0.00 H new ATOM 0 HD2 HIS A 81 18.968 -4.339 2.572 1.00 0.00 H new ATOM 0 HE1 HIS A 81 16.878 -7.940 3.388 1.00 0.00 H new ATOM 1232 N GLN A 82 15.997 -1.607 2.179 1.00 0.00 N ATOM 1233 CA GLN A 82 16.131 -0.864 3.426 1.00 0.00 C ATOM 1234 C GLN A 82 14.818 -0.862 4.202 1.00 0.00 C ATOM 1235 O GLN A 82 14.797 -0.606 5.406 1.00 0.00 O ATOM 1236 CB GLN A 82 16.573 0.573 3.144 1.00 0.00 C ATOM 1237 CG GLN A 82 15.494 1.424 2.492 1.00 0.00 C ATOM 1238 CD GLN A 82 15.934 2.859 2.276 1.00 0.00 C ATOM 1239 OE1 GLN A 82 17.095 3.205 2.499 1.00 0.00 O ATOM 1240 NE2 GLN A 82 15.007 3.703 1.840 1.00 0.00 N ATOM 0 H GLN A 82 16.193 -1.062 1.340 1.00 0.00 H new ATOM 0 HA GLN A 82 16.890 -1.357 4.033 1.00 0.00 H new ATOM 0 HB2 GLN A 82 16.877 1.041 4.080 1.00 0.00 H new ATOM 0 HB3 GLN A 82 17.450 0.554 2.497 1.00 0.00 H new ATOM 0 HG2 GLN A 82 15.219 0.984 1.533 1.00 0.00 H new ATOM 0 HG3 GLN A 82 14.600 1.412 3.116 1.00 0.00 H new ATOM 0 HE21 GLN A 82 14.057 3.373 1.668 1.00 0.00 H new ATOM 0 HE22 GLN A 82 15.244 4.681 1.677 1.00 0.00 H new ATOM 1249 N ASP A 83 13.724 -1.148 3.505 1.00 0.00 N ATOM 1250 CA ASP A 83 12.406 -1.180 4.128 1.00 0.00 C ATOM 1251 C ASP A 83 11.991 -2.612 4.450 1.00 0.00 C ATOM 1252 O ASP A 83 10.831 -2.877 4.764 1.00 0.00 O ATOM 1253 CB ASP A 83 11.369 -0.528 3.212 1.00 0.00 C ATOM 1254 CG ASP A 83 11.245 0.964 3.447 1.00 0.00 C ATOM 1255 OD1 ASP A 83 11.365 1.392 4.614 1.00 0.00 O ATOM 1256 OD2 ASP A 83 11.026 1.704 2.465 1.00 0.00 O ATOM 0 H ASP A 83 13.724 -1.361 2.508 1.00 0.00 H new ATOM 0 HA ASP A 83 12.459 -0.619 5.061 1.00 0.00 H new ATOM 0 HB2 ASP A 83 11.643 -0.707 2.172 1.00 0.00 H new ATOM 0 HB3 ASP A 83 10.400 -1.000 3.372 1.00 0.00 H new ATOM 1261 N SER A 84 12.947 -3.532 4.367 1.00 0.00 N ATOM 1262 CA SER A 84 12.680 -4.939 4.644 1.00 0.00 C ATOM 1263 C SER A 84 11.677 -5.087 5.784 1.00 0.00 C ATOM 1264 O SER A 84 11.844 -4.501 6.853 1.00 0.00 O ATOM 1265 CB SER A 84 13.979 -5.667 4.994 1.00 0.00 C ATOM 1266 OG SER A 84 14.601 -5.084 6.126 1.00 0.00 O ATOM 0 H SER A 84 13.913 -3.329 4.110 1.00 0.00 H new ATOM 0 HA SER A 84 12.252 -5.386 3.747 1.00 0.00 H new ATOM 0 HB2 SER A 84 13.769 -6.718 5.192 1.00 0.00 H new ATOM 0 HB3 SER A 84 14.659 -5.633 4.143 1.00 0.00 H new ATOM 0 HG SER A 84 13.916 -4.724 6.727 1.00 0.00 H new ATOM 1272 N GLY A 85 10.633 -5.875 5.547 1.00 0.00 N ATOM 1273 CA GLY A 85 9.618 -6.087 6.562 1.00 0.00 C ATOM 1274 C GLY A 85 8.745 -4.866 6.773 1.00 0.00 C ATOM 1275 O GLY A 85 8.501 -4.457 7.908 1.00 0.00 O ATOM 0 H GLY A 85 10.472 -6.370 4.670 1.00 0.00 H new ATOM 0 HA2 GLY A 85 8.992 -6.932 6.275 1.00 0.00 H new ATOM 0 HA3 GLY A 85 10.100 -6.352 7.503 1.00 0.00 H new ATOM 1279 N ALA A 86 8.274 -4.281 5.677 1.00 0.00 N ATOM 1280 CA ALA A 86 7.424 -3.099 5.747 1.00 0.00 C ATOM 1281 C ALA A 86 6.064 -3.437 6.348 1.00 0.00 C ATOM 1282 O ALA A 86 5.710 -4.608 6.492 1.00 0.00 O ATOM 1283 CB ALA A 86 7.255 -2.488 4.364 1.00 0.00 C ATOM 0 H ALA A 86 8.467 -4.606 4.730 1.00 0.00 H new ATOM 0 HA ALA A 86 7.909 -2.370 6.397 1.00 0.00 H new ATOM 0 HB1 ALA A 86 6.618 -1.606 4.431 1.00 0.00 H new ATOM 0 HB2 ALA A 86 8.231 -2.202 3.971 1.00 0.00 H new ATOM 0 HB3 ALA A 86 6.795 -3.218 3.698 1.00 0.00 H new ATOM 1289 N LEU A 87 5.304 -2.404 6.698 1.00 0.00 N ATOM 1290 CA LEU A 87 3.982 -2.592 7.285 1.00 0.00 C ATOM 1291 C LEU A 87 2.917 -1.863 6.472 1.00 0.00 C ATOM 1292 O LEU A 87 2.680 -0.670 6.667 1.00 0.00 O ATOM 1293 CB LEU A 87 3.968 -2.091 8.730 1.00 0.00 C ATOM 1294 CG LEU A 87 3.019 -2.818 9.683 1.00 0.00 C ATOM 1295 CD1 LEU A 87 1.634 -2.939 9.068 1.00 0.00 C ATOM 1296 CD2 LEU A 87 3.569 -4.191 10.039 1.00 0.00 C ATOM 0 H LEU A 87 5.581 -1.429 6.585 1.00 0.00 H new ATOM 0 HA LEU A 87 3.755 -3.658 7.274 1.00 0.00 H new ATOM 0 HB2 LEU A 87 4.979 -2.166 9.129 1.00 0.00 H new ATOM 0 HB3 LEU A 87 3.705 -1.033 8.724 1.00 0.00 H new ATOM 0 HG LEU A 87 2.937 -2.233 10.599 1.00 0.00 H new ATOM 0 HD11 LEU A 87 0.972 -3.459 9.761 1.00 0.00 H new ATOM 0 HD12 LEU A 87 1.238 -1.944 8.866 1.00 0.00 H new ATOM 0 HD13 LEU A 87 1.698 -3.501 8.136 1.00 0.00 H new ATOM 0 HD21 LEU A 87 2.880 -4.694 10.718 1.00 0.00 H new ATOM 0 HD22 LEU A 87 3.682 -4.784 9.132 1.00 0.00 H new ATOM 0 HD23 LEU A 87 4.539 -4.080 10.523 1.00 0.00 H new ATOM 1308 N VAL A 88 2.276 -2.588 5.560 1.00 0.00 N ATOM 1309 CA VAL A 88 1.234 -2.011 4.719 1.00 0.00 C ATOM 1310 C VAL A 88 -0.142 -2.537 5.112 1.00 0.00 C ATOM 1311 O VAL A 88 -0.406 -3.736 5.030 1.00 0.00 O ATOM 1312 CB VAL A 88 1.482 -2.315 3.230 1.00 0.00 C ATOM 1313 CG1 VAL A 88 0.544 -1.498 2.354 1.00 0.00 C ATOM 1314 CG2 VAL A 88 2.935 -2.045 2.866 1.00 0.00 C ATOM 0 H VAL A 88 2.460 -3.576 5.385 1.00 0.00 H new ATOM 0 HA VAL A 88 1.265 -0.932 4.871 1.00 0.00 H new ATOM 0 HB VAL A 88 1.277 -3.371 3.054 1.00 0.00 H new ATOM 0 HG11 VAL A 88 0.734 -1.726 1.305 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -0.489 -1.745 2.598 1.00 0.00 H new ATOM 0 HG13 VAL A 88 0.714 -0.436 2.531 1.00 0.00 H new ATOM 0 HG21 VAL A 88 3.093 -2.265 1.810 1.00 0.00 H new ATOM 0 HG22 VAL A 88 3.169 -0.998 3.057 1.00 0.00 H new ATOM 0 HG23 VAL A 88 3.585 -2.678 3.470 1.00 0.00 H new ATOM 1324 N GLY A 89 -1.017 -1.631 5.538 1.00 0.00 N ATOM 1325 CA GLY A 89 -2.356 -2.023 5.937 1.00 0.00 C ATOM 1326 C GLY A 89 -3.413 -1.049 5.456 1.00 0.00 C ATOM 1327 O GLY A 89 -3.124 0.125 5.222 1.00 0.00 O ATOM 0 H GLY A 89 -0.822 -0.633 5.614 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -2.574 -3.015 5.542 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -2.401 -2.096 7.024 1.00 0.00 H new ATOM 1331 N PHE A 90 -4.640 -1.536 5.305 1.00 0.00 N ATOM 1332 CA PHE A 90 -5.743 -0.700 4.846 1.00 0.00 C ATOM 1333 C PHE A 90 -6.609 -0.250 6.019 1.00 0.00 C ATOM 1334 O PHE A 90 -7.369 -1.038 6.581 1.00 0.00 O ATOM 1335 CB PHE A 90 -6.597 -1.459 3.828 1.00 0.00 C ATOM 1336 CG PHE A 90 -7.975 -0.887 3.656 1.00 0.00 C ATOM 1337 CD1 PHE A 90 -8.189 0.197 2.820 1.00 0.00 C ATOM 1338 CD2 PHE A 90 -9.055 -1.433 4.329 1.00 0.00 C ATOM 1339 CE1 PHE A 90 -9.456 0.727 2.660 1.00 0.00 C ATOM 1340 CE2 PHE A 90 -10.325 -0.908 4.173 1.00 0.00 C ATOM 1341 CZ PHE A 90 -10.525 0.172 3.336 1.00 0.00 C ATOM 0 H PHE A 90 -4.896 -2.505 5.494 1.00 0.00 H new ATOM 0 HA PHE A 90 -5.321 0.184 4.368 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -6.088 -1.455 2.864 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -6.681 -2.500 4.140 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -7.357 0.633 2.287 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -8.904 -2.279 4.983 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -9.610 1.574 2.007 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -11.159 -1.342 4.705 1.00 0.00 H new ATOM 0 HZ PHE A 90 -11.516 0.582 3.210 1.00 0.00 H new ATOM 1351 N SER A 91 -6.489 1.023 6.382 1.00 0.00 N ATOM 1352 CA SER A 91 -7.257 1.578 7.491 1.00 0.00 C ATOM 1353 C SER A 91 -8.577 2.162 6.998 1.00 0.00 C ATOM 1354 O SER A 91 -8.603 2.967 6.066 1.00 0.00 O ATOM 1355 CB SER A 91 -6.446 2.657 8.211 1.00 0.00 C ATOM 1356 OG SER A 91 -6.113 3.717 7.332 1.00 0.00 O ATOM 0 H SER A 91 -5.867 1.690 5.924 1.00 0.00 H new ATOM 0 HA SER A 91 -7.475 0.771 8.190 1.00 0.00 H new ATOM 0 HB2 SER A 91 -7.019 3.045 9.053 1.00 0.00 H new ATOM 0 HB3 SER A 91 -5.535 2.220 8.620 1.00 0.00 H new ATOM 0 HG SER A 91 -5.146 3.720 7.175 1.00 0.00 H new ATOM 1362 N CYS A 92 -9.671 1.750 7.629 1.00 0.00 N ATOM 1363 CA CYS A 92 -10.996 2.231 7.255 1.00 0.00 C ATOM 1364 C CYS A 92 -11.922 2.272 8.467 1.00 0.00 C ATOM 1365 O CYS A 92 -11.710 1.581 9.464 1.00 0.00 O ATOM 1366 CB CYS A 92 -11.598 1.338 6.169 1.00 0.00 C ATOM 1367 SG CYS A 92 -12.648 0.009 6.804 1.00 0.00 S ATOM 0 H CYS A 92 -9.667 1.084 8.402 1.00 0.00 H new ATOM 0 HA CYS A 92 -10.891 3.244 6.866 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -12.184 1.956 5.489 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -10.789 0.900 5.584 1.00 0.00 H new ATOM 0 HG CYS A 92 -13.112 -0.690 5.811 1.00 0.00 H new ATOM 1373 N PRO A 93 -12.971 3.103 8.382 1.00 0.00 N ATOM 1374 CA PRO A 93 -13.949 3.255 9.464 1.00 0.00 C ATOM 1375 C PRO A 93 -14.820 2.016 9.637 1.00 0.00 C ATOM 1376 O PRO A 93 -15.954 1.970 9.164 1.00 0.00 O ATOM 1377 CB PRO A 93 -14.798 4.445 9.009 1.00 0.00 C ATOM 1378 CG PRO A 93 -14.671 4.456 7.524 1.00 0.00 C ATOM 1379 CD PRO A 93 -13.285 3.956 7.224 1.00 0.00 C ATOM 0 HA PRO A 93 -13.467 3.401 10.431 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -15.837 4.330 9.316 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -14.438 5.377 9.444 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -15.425 3.818 7.063 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -14.818 5.460 7.127 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -13.254 3.394 6.291 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -12.575 4.777 7.125 1.00 0.00 H new ATOM 1387 N GLY A 94 -14.280 1.010 10.320 1.00 0.00 N ATOM 1388 CA GLY A 94 -15.022 -0.217 10.545 1.00 0.00 C ATOM 1389 C GLY A 94 -14.138 -1.447 10.491 1.00 0.00 C ATOM 1390 O GLY A 94 -14.515 -2.513 10.978 1.00 0.00 O ATOM 0 H GLY A 94 -13.342 1.023 10.721 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -15.513 -0.168 11.517 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -15.808 -0.305 9.795 1.00 0.00 H new ATOM 1394 N VAL A 95 -12.959 -1.301 9.895 1.00 0.00 N ATOM 1395 CA VAL A 95 -12.018 -2.409 9.779 1.00 0.00 C ATOM 1396 C VAL A 95 -10.584 -1.936 9.983 1.00 0.00 C ATOM 1397 O VAL A 95 -10.236 -0.810 9.631 1.00 0.00 O ATOM 1398 CB VAL A 95 -12.130 -3.098 8.406 1.00 0.00 C ATOM 1399 CG1 VAL A 95 -11.009 -4.110 8.224 1.00 0.00 C ATOM 1400 CG2 VAL A 95 -13.490 -3.763 8.253 1.00 0.00 C ATOM 0 H VAL A 95 -12.633 -0.426 9.485 1.00 0.00 H new ATOM 0 HA VAL A 95 -12.275 -3.126 10.559 1.00 0.00 H new ATOM 0 HB VAL A 95 -12.033 -2.340 7.629 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -11.104 -4.587 7.249 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -10.047 -3.602 8.287 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -11.072 -4.867 9.006 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -13.552 -4.245 7.277 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -13.620 -4.510 9.036 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -14.274 -3.011 8.336 1.00 0.00 H new ATOM 1410 N GLN A 96 -9.755 -2.805 10.553 1.00 0.00 N ATOM 1411 CA GLN A 96 -8.357 -2.476 10.804 1.00 0.00 C ATOM 1412 C GLN A 96 -7.467 -3.700 10.617 1.00 0.00 C ATOM 1413 O GLN A 96 -7.462 -4.608 11.448 1.00 0.00 O ATOM 1414 CB GLN A 96 -8.188 -1.918 12.219 1.00 0.00 C ATOM 1415 CG GLN A 96 -9.074 -0.717 12.509 1.00 0.00 C ATOM 1416 CD GLN A 96 -8.852 -0.151 13.898 1.00 0.00 C ATOM 1417 OE1 GLN A 96 -8.026 -0.653 14.661 1.00 0.00 O ATOM 1418 NE2 GLN A 96 -9.590 0.901 14.233 1.00 0.00 N ATOM 0 H GLN A 96 -10.028 -3.742 10.850 1.00 0.00 H new ATOM 0 HA GLN A 96 -8.054 -1.716 10.083 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -8.410 -2.705 12.940 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -7.146 -1.634 12.367 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -8.881 0.060 11.769 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -10.119 -1.007 12.401 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -10.263 1.284 13.569 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -9.484 1.326 15.154 1.00 0.00 H new ATOM 1427 N ASP A 97 -6.716 -3.718 9.522 1.00 0.00 N ATOM 1428 CA ASP A 97 -5.821 -4.831 9.226 1.00 0.00 C ATOM 1429 C ASP A 97 -4.567 -4.343 8.508 1.00 0.00 C ATOM 1430 O ASP A 97 -4.571 -3.284 7.881 1.00 0.00 O ATOM 1431 CB ASP A 97 -6.539 -5.877 8.372 1.00 0.00 C ATOM 1432 CG ASP A 97 -6.010 -7.278 8.608 1.00 0.00 C ATOM 1433 OD1 ASP A 97 -5.012 -7.652 7.959 1.00 0.00 O ATOM 1434 OD2 ASP A 97 -6.596 -8.001 9.442 1.00 0.00 O ATOM 0 H ASP A 97 -6.709 -2.974 8.824 1.00 0.00 H new ATOM 0 HA ASP A 97 -5.523 -5.287 10.170 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -7.606 -5.852 8.593 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -6.426 -5.622 7.318 1.00 0.00 H new ATOM 1439 N SER A 98 -3.494 -5.123 8.606 1.00 0.00 N ATOM 1440 CA SER A 98 -2.231 -4.768 7.970 1.00 0.00 C ATOM 1441 C SER A 98 -1.379 -6.010 7.725 1.00 0.00 C ATOM 1442 O SER A 98 -1.488 -7.002 8.444 1.00 0.00 O ATOM 1443 CB SER A 98 -1.461 -3.770 8.838 1.00 0.00 C ATOM 1444 OG SER A 98 -1.055 -4.364 10.059 1.00 0.00 O ATOM 0 H SER A 98 -3.475 -6.004 9.120 1.00 0.00 H new ATOM 0 HA SER A 98 -2.454 -4.306 7.008 1.00 0.00 H new ATOM 0 HB2 SER A 98 -0.586 -3.411 8.296 1.00 0.00 H new ATOM 0 HB3 SER A 98 -2.088 -2.902 9.043 1.00 0.00 H new ATOM 0 HG SER A 98 -1.012 -3.678 10.758 1.00 0.00 H new ATOM 1450 N ALA A 99 -0.531 -5.945 6.704 1.00 0.00 N ATOM 1451 CA ALA A 99 0.342 -7.062 6.365 1.00 0.00 C ATOM 1452 C ALA A 99 1.810 -6.664 6.469 1.00 0.00 C ATOM 1453 O ALA A 99 2.131 -5.503 6.724 1.00 0.00 O ATOM 1454 CB ALA A 99 0.029 -7.569 4.964 1.00 0.00 C ATOM 0 H ALA A 99 -0.430 -5.131 6.098 1.00 0.00 H new ATOM 0 HA ALA A 99 0.159 -7.864 7.080 1.00 0.00 H new ATOM 0 HB1 ALA A 99 0.688 -8.403 4.723 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -1.008 -7.902 4.921 1.00 0.00 H new ATOM 0 HB3 ALA A 99 0.183 -6.766 4.244 1.00 0.00 H new ATOM 1460 N ALA A 100 2.697 -7.633 6.272 1.00 0.00 N ATOM 1461 CA ALA A 100 4.131 -7.383 6.343 1.00 0.00 C ATOM 1462 C ALA A 100 4.788 -7.558 4.978 1.00 0.00 C ATOM 1463 O ALA A 100 4.644 -8.600 4.338 1.00 0.00 O ATOM 1464 CB ALA A 100 4.779 -8.306 7.364 1.00 0.00 C ATOM 0 H ALA A 100 2.448 -8.599 6.062 1.00 0.00 H new ATOM 0 HA ALA A 100 4.278 -6.350 6.658 1.00 0.00 H new ATOM 0 HB1 ALA A 100 5.850 -8.108 7.406 1.00 0.00 H new ATOM 0 HB2 ALA A 100 4.339 -8.129 8.345 1.00 0.00 H new ATOM 0 HB3 ALA A 100 4.613 -9.343 7.073 1.00 0.00 H new ATOM 1470 N LEU A 101 5.508 -6.532 4.537 1.00 0.00 N ATOM 1471 CA LEU A 101 6.187 -6.573 3.246 1.00 0.00 C ATOM 1472 C LEU A 101 7.623 -7.062 3.401 1.00 0.00 C ATOM 1473 O LEU A 101 8.458 -6.389 4.006 1.00 0.00 O ATOM 1474 CB LEU A 101 6.175 -5.187 2.598 1.00 0.00 C ATOM 1475 CG LEU A 101 5.956 -5.155 1.085 1.00 0.00 C ATOM 1476 CD1 LEU A 101 6.199 -3.757 0.540 1.00 0.00 C ATOM 1477 CD2 LEU A 101 6.861 -6.164 0.394 1.00 0.00 C ATOM 0 H LEU A 101 5.637 -5.662 5.054 1.00 0.00 H new ATOM 0 HA LEU A 101 5.652 -7.273 2.604 1.00 0.00 H new ATOM 0 HB2 LEU A 101 5.392 -4.594 3.071 1.00 0.00 H new ATOM 0 HB3 LEU A 101 7.123 -4.697 2.818 1.00 0.00 H new ATOM 0 HG LEU A 101 4.920 -5.427 0.881 1.00 0.00 H new ATOM 0 HD11 LEU A 101 6.038 -3.754 -0.538 1.00 0.00 H new ATOM 0 HD12 LEU A 101 5.509 -3.058 1.012 1.00 0.00 H new ATOM 0 HD13 LEU A 101 7.224 -3.456 0.755 1.00 0.00 H new ATOM 0 HD21 LEU A 101 6.692 -6.127 -0.682 1.00 0.00 H new ATOM 0 HD22 LEU A 101 7.903 -5.923 0.606 1.00 0.00 H new ATOM 0 HD23 LEU A 101 6.638 -7.165 0.763 1.00 0.00 H new ATOM 1489 N THR A 102 7.905 -8.238 2.849 1.00 0.00 N ATOM 1490 CA THR A 102 9.240 -8.817 2.925 1.00 0.00 C ATOM 1491 C THR A 102 10.097 -8.381 1.741 1.00 0.00 C ATOM 1492 O THR A 102 9.641 -8.388 0.598 1.00 0.00 O ATOM 1493 CB THR A 102 9.184 -10.356 2.963 1.00 0.00 C ATOM 1494 OG1 THR A 102 8.546 -10.793 4.168 1.00 0.00 O ATOM 1495 CG2 THR A 102 10.581 -10.951 2.879 1.00 0.00 C ATOM 0 H THR A 102 7.226 -8.808 2.344 1.00 0.00 H new ATOM 0 HA THR A 102 9.689 -8.454 3.849 1.00 0.00 H new ATOM 0 HB THR A 102 8.609 -10.698 2.103 1.00 0.00 H new ATOM 0 HG1 THR A 102 8.513 -11.772 4.184 1.00 0.00 H new ATOM 0 HG21 THR A 102 10.516 -12.039 2.908 1.00 0.00 H new ATOM 0 HG22 THR A 102 11.053 -10.640 1.947 1.00 0.00 H new ATOM 0 HG23 THR A 102 11.177 -10.601 3.722 1.00 0.00 H new ATOM 1503 N ILE A 103 11.339 -8.003 2.024 1.00 0.00 N ATOM 1504 CA ILE A 103 12.259 -7.565 0.981 1.00 0.00 C ATOM 1505 C ILE A 103 13.668 -8.089 1.237 1.00 0.00 C ATOM 1506 O ILE A 103 14.323 -7.692 2.200 1.00 0.00 O ATOM 1507 CB ILE A 103 12.305 -6.029 0.880 1.00 0.00 C ATOM 1508 CG1 ILE A 103 10.896 -5.446 1.001 1.00 0.00 C ATOM 1509 CG2 ILE A 103 12.949 -5.605 -0.432 1.00 0.00 C ATOM 1510 CD1 ILE A 103 10.880 -3.955 1.258 1.00 0.00 C ATOM 0 H ILE A 103 11.731 -7.991 2.966 1.00 0.00 H new ATOM 0 HA ILE A 103 11.888 -7.972 0.040 1.00 0.00 H new ATOM 0 HB ILE A 103 12.909 -5.643 1.701 1.00 0.00 H new ATOM 0 HG12 ILE A 103 10.345 -5.655 0.084 1.00 0.00 H new ATOM 0 HG13 ILE A 103 10.370 -5.952 1.811 1.00 0.00 H new ATOM 0 HG21 ILE A 103 12.975 -4.517 -0.490 1.00 0.00 H new ATOM 0 HG22 ILE A 103 13.966 -5.995 -0.481 1.00 0.00 H new ATOM 0 HG23 ILE A 103 12.369 -5.999 -1.266 1.00 0.00 H new ATOM 0 HD11 ILE A 103 9.849 -3.610 1.333 1.00 0.00 H new ATOM 0 HD12 ILE A 103 11.403 -3.741 2.190 1.00 0.00 H new ATOM 0 HD13 ILE A 103 11.377 -3.439 0.437 1.00 0.00 H new ATOM 1522 N GLN A 104 14.129 -8.982 0.366 1.00 0.00 N ATOM 1523 CA GLN A 104 15.461 -9.559 0.497 1.00 0.00 C ATOM 1524 C GLN A 104 16.384 -9.056 -0.608 1.00 0.00 C ATOM 1525 O GLN A 104 15.969 -8.911 -1.757 1.00 0.00 O ATOM 1526 CB GLN A 104 15.384 -11.087 0.457 1.00 0.00 C ATOM 1527 CG GLN A 104 14.348 -11.669 1.405 1.00 0.00 C ATOM 1528 CD GLN A 104 14.893 -11.887 2.803 1.00 0.00 C ATOM 1529 OE1 GLN A 104 15.792 -12.704 3.011 1.00 0.00 O ATOM 1530 NE2 GLN A 104 14.352 -11.157 3.771 1.00 0.00 N ATOM 0 H GLN A 104 13.599 -9.321 -0.437 1.00 0.00 H new ATOM 0 HA GLN A 104 15.871 -9.247 1.458 1.00 0.00 H new ATOM 0 HB2 GLN A 104 15.153 -11.404 -0.560 1.00 0.00 H new ATOM 0 HB3 GLN A 104 16.363 -11.498 0.705 1.00 0.00 H new ATOM 0 HG2 GLN A 104 13.489 -10.999 1.454 1.00 0.00 H new ATOM 0 HG3 GLN A 104 13.989 -12.618 1.007 1.00 0.00 H new ATOM 0 HE21 GLN A 104 13.610 -10.492 3.554 1.00 0.00 H new ATOM 0 HE22 GLN A 104 14.679 -11.261 4.732 1.00 0.00 H new ATOM 1539 N GLU A 105 17.636 -8.790 -0.251 1.00 0.00 N ATOM 1540 CA GLU A 105 18.617 -8.301 -1.213 1.00 0.00 C ATOM 1541 C GLU A 105 18.748 -9.262 -2.392 1.00 0.00 C ATOM 1542 O GLU A 105 18.327 -10.416 -2.315 1.00 0.00 O ATOM 1543 CB GLU A 105 19.978 -8.115 -0.539 1.00 0.00 C ATOM 1544 CG GLU A 105 20.161 -6.746 0.094 1.00 0.00 C ATOM 1545 CD GLU A 105 21.571 -6.524 0.607 1.00 0.00 C ATOM 1546 OE1 GLU A 105 21.850 -6.916 1.759 1.00 0.00 O ATOM 1547 OE2 GLU A 105 22.394 -5.959 -0.143 1.00 0.00 O ATOM 0 H GLU A 105 17.995 -8.905 0.697 1.00 0.00 H new ATOM 0 HA GLU A 105 18.271 -7.338 -1.588 1.00 0.00 H new ATOM 0 HB2 GLU A 105 20.102 -8.880 0.227 1.00 0.00 H new ATOM 0 HB3 GLU A 105 20.764 -8.273 -1.277 1.00 0.00 H new ATOM 0 HG2 GLU A 105 19.920 -5.976 -0.639 1.00 0.00 H new ATOM 0 HG3 GLU A 105 19.457 -6.634 0.918 1.00 0.00 H new ATOM 1554 N SER A 106 19.335 -8.776 -3.481 1.00 0.00 N ATOM 1555 CA SER A 106 19.518 -9.589 -4.678 1.00 0.00 C ATOM 1556 C SER A 106 20.971 -10.037 -4.813 1.00 0.00 C ATOM 1557 O SER A 106 21.883 -9.213 -4.866 1.00 0.00 O ATOM 1558 CB SER A 106 19.096 -8.806 -5.922 1.00 0.00 C ATOM 1559 OG SER A 106 19.555 -9.440 -7.103 1.00 0.00 O ATOM 0 H SER A 106 19.692 -7.824 -3.559 1.00 0.00 H new ATOM 0 HA SER A 106 18.890 -10.475 -4.585 1.00 0.00 H new ATOM 0 HB2 SER A 106 18.010 -8.720 -5.950 1.00 0.00 H new ATOM 0 HB3 SER A 106 19.495 -7.793 -5.871 1.00 0.00 H new ATOM 0 HG SER A 106 19.271 -8.921 -7.884 1.00 0.00 H new ATOM 1565 N SER A 107 21.176 -11.349 -4.867 1.00 0.00 N ATOM 1566 CA SER A 107 22.517 -11.908 -4.992 1.00 0.00 C ATOM 1567 C SER A 107 23.226 -11.349 -6.222 1.00 0.00 C ATOM 1568 O SER A 107 22.589 -10.835 -7.140 1.00 0.00 O ATOM 1569 CB SER A 107 22.450 -13.434 -5.078 1.00 0.00 C ATOM 1570 OG SER A 107 23.686 -14.020 -4.707 1.00 0.00 O ATOM 0 H SER A 107 20.431 -12.045 -4.826 1.00 0.00 H new ATOM 0 HA SER A 107 23.086 -11.625 -4.106 1.00 0.00 H new ATOM 0 HB2 SER A 107 21.658 -13.804 -4.426 1.00 0.00 H new ATOM 0 HB3 SER A 107 22.192 -13.733 -6.094 1.00 0.00 H new ATOM 0 HG SER A 107 23.617 -14.996 -4.769 1.00 0.00 H new ATOM 1576 N GLY A 108 24.552 -11.454 -6.231 1.00 0.00 N ATOM 1577 CA GLY A 108 25.327 -10.955 -7.352 1.00 0.00 C ATOM 1578 C GLY A 108 26.711 -10.492 -6.940 1.00 0.00 C ATOM 1579 O GLY A 108 27.270 -10.950 -5.943 1.00 0.00 O ATOM 0 H GLY A 108 25.102 -11.875 -5.483 1.00 0.00 H new ATOM 0 HA2 GLY A 108 25.418 -11.739 -8.104 1.00 0.00 H new ATOM 0 HA3 GLY A 108 24.794 -10.126 -7.818 1.00 0.00 H new ATOM 1583 N PRO A 109 27.285 -9.564 -7.719 1.00 0.00 N ATOM 1584 CA PRO A 109 28.620 -9.020 -7.450 1.00 0.00 C ATOM 1585 C PRO A 109 28.645 -8.135 -6.209 1.00 0.00 C ATOM 1586 O PRO A 109 27.631 -7.972 -5.530 1.00 0.00 O ATOM 1587 CB PRO A 109 28.926 -8.195 -8.702 1.00 0.00 C ATOM 1588 CG PRO A 109 27.590 -7.824 -9.247 1.00 0.00 C ATOM 1589 CD PRO A 109 26.676 -8.974 -8.923 1.00 0.00 C ATOM 0 HA PRO A 109 29.349 -9.806 -7.253 1.00 0.00 H new ATOM 0 HB2 PRO A 109 29.514 -7.310 -8.459 1.00 0.00 H new ATOM 0 HB3 PRO A 109 29.502 -8.772 -9.425 1.00 0.00 H new ATOM 0 HG2 PRO A 109 27.228 -6.899 -8.797 1.00 0.00 H new ATOM 0 HG3 PRO A 109 27.640 -7.657 -10.323 1.00 0.00 H new ATOM 0 HD2 PRO A 109 25.657 -8.637 -8.734 1.00 0.00 H new ATOM 0 HD3 PRO A 109 26.627 -9.692 -9.742 1.00 0.00 H new ATOM 1597 N SER A 110 29.810 -7.564 -5.918 1.00 0.00 N ATOM 1598 CA SER A 110 29.968 -6.698 -4.756 1.00 0.00 C ATOM 1599 C SER A 110 31.121 -5.719 -4.961 1.00 0.00 C ATOM 1600 O SER A 110 32.269 -6.125 -5.142 1.00 0.00 O ATOM 1601 CB SER A 110 30.211 -7.534 -3.499 1.00 0.00 C ATOM 1602 OG SER A 110 29.002 -8.095 -3.017 1.00 0.00 O ATOM 0 H SER A 110 30.658 -7.686 -6.471 1.00 0.00 H new ATOM 0 HA SER A 110 29.048 -6.128 -4.631 1.00 0.00 H new ATOM 0 HB2 SER A 110 30.922 -8.330 -3.720 1.00 0.00 H new ATOM 0 HB3 SER A 110 30.660 -6.911 -2.726 1.00 0.00 H new ATOM 0 HG SER A 110 28.336 -8.105 -3.736 1.00 0.00 H new ATOM 1608 N SER A 111 30.805 -4.428 -4.931 1.00 0.00 N ATOM 1609 CA SER A 111 31.813 -3.391 -5.117 1.00 0.00 C ATOM 1610 C SER A 111 32.295 -2.854 -3.773 1.00 0.00 C ATOM 1611 O SER A 111 31.584 -2.928 -2.772 1.00 0.00 O ATOM 1612 CB SER A 111 31.248 -2.247 -5.963 1.00 0.00 C ATOM 1613 OG SER A 111 32.280 -1.385 -6.409 1.00 0.00 O ATOM 0 H SER A 111 29.860 -4.076 -4.780 1.00 0.00 H new ATOM 0 HA SER A 111 32.662 -3.834 -5.637 1.00 0.00 H new ATOM 0 HB2 SER A 111 30.714 -2.655 -6.821 1.00 0.00 H new ATOM 0 HB3 SER A 111 30.524 -1.680 -5.377 1.00 0.00 H new ATOM 0 HG SER A 111 31.894 -0.664 -6.948 1.00 0.00 H new ATOM 1619 N GLY A 112 33.510 -2.315 -3.759 1.00 0.00 N ATOM 1620 CA GLY A 112 34.068 -1.774 -2.534 1.00 0.00 C ATOM 1621 C GLY A 112 33.536 -0.390 -2.216 1.00 0.00 C ATOM 1622 O GLY A 112 34.306 0.527 -1.932 1.00 0.00 O ATOM 0 H GLY A 112 34.118 -2.243 -4.575 1.00 0.00 H new ATOM 0 HA2 GLY A 112 33.840 -2.446 -1.707 1.00 0.00 H new ATOM 0 HA3 GLY A 112 35.154 -1.731 -2.621 1.00 0.00 H new TER 1626 GLY A 112