USER MOD reduce.3.24.130724 H: found=0, std=0, add=591, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 589 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 5 CYS SG : rot -127:sc= -1.08 USER MOD Set 1.2: A 10 CYS SG : rot 50:sc= -0.0596 USER MOD Set 1.3: A 54 CYS SG : rot -64:sc= -1.89 USER MOD Set 1.4: A 57 HIS : no HD1:sc= -3.08! C(o=-6.1!,f=-11!) USER MOD Set 2.1: A 21 SER OG : rot 180:sc= 1.05 USER MOD Set 2.2: A 23 HIS : no HD1:sc= -2.92! K(o=-0.48!,f=1.2) USER MOD Set 2.3: A 55 SER OG : rot -127:sc= 1.39 USER MOD Single : A 3 GLN : amide:sc= -0.512 K(o=-0.51,f=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0.0211 USER MOD Single : A 6 SER OG : rot 130:sc= -3.88! USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 158:sc= -0.385 (180deg=-1.2!) USER MOD Single : A 12 ASN : amide:sc= -9.56! C(o=-9.6!,f=-6.5!) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -147:sc= -2.86 (180deg=-3.89!) USER MOD Single : A 18 LYS NZ :NH3+ -154:sc= -0.357 (180deg=-1.71!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0.0833 USER MOD Single : A 33 CYS SG : rot 180:sc= -0.0937 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= -2.27 K(o=-2.3,f=-4.4!) USER MOD Single : A 46 LYS NZ :NH3+ -147:sc= -0.426 (180deg=-1.53!) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 145:sc= -2.26 (180deg=-4.48!) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot -120:sc= 1.11 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot -170:sc= -1.81 USER MOD Single : A 62 CYS SG : rot -44:sc= -1.65 USER MOD Single : A 73 LYS NZ :NH3+ 165:sc= 1.01 (180deg=0.981) USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N VAL A 2 -9.346 9.748 10.625 1.00 0.00 N ATOM 21 CA VAL A 2 -9.353 8.636 11.571 1.00 0.00 C ATOM 22 C VAL A 2 -8.176 7.689 11.323 1.00 0.00 C ATOM 23 O VAL A 2 -8.178 6.546 11.782 1.00 0.00 O ATOM 24 CB VAL A 2 -10.682 7.850 11.511 1.00 0.00 C ATOM 25 CG1 VAL A 2 -10.737 6.806 12.616 1.00 0.00 C ATOM 26 CG2 VAL A 2 -11.864 8.802 11.615 1.00 0.00 C ATOM 0 HA VAL A 2 -9.251 9.065 12.568 1.00 0.00 H new ATOM 0 HB VAL A 2 -10.736 7.334 10.552 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -11.680 6.263 12.557 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -9.908 6.108 12.498 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -10.662 7.298 13.586 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -12.793 8.234 11.571 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -11.813 9.343 12.560 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -11.833 9.512 10.788 1.00 0.00 H new ATOM 36 N GLN A 3 -7.169 8.176 10.597 1.00 0.00 N ATOM 37 CA GLN A 3 -5.982 7.392 10.286 1.00 0.00 C ATOM 38 C GLN A 3 -5.056 8.212 9.402 1.00 0.00 C ATOM 39 O GLN A 3 -5.509 8.926 8.507 1.00 0.00 O ATOM 40 CB GLN A 3 -6.364 6.082 9.582 1.00 0.00 C ATOM 41 CG GLN A 3 -5.182 5.269 9.058 1.00 0.00 C ATOM 42 CD GLN A 3 -4.607 4.334 10.104 1.00 0.00 C ATOM 43 OE1 GLN A 3 -4.688 3.113 9.973 1.00 0.00 O ATOM 44 NE2 GLN A 3 -4.021 4.903 11.151 1.00 0.00 N ATOM 0 H GLN A 3 -7.157 9.120 10.212 1.00 0.00 H new ATOM 0 HA GLN A 3 -5.471 7.140 11.215 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -6.932 5.464 10.278 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -7.026 6.314 8.748 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -5.501 4.688 8.193 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -4.402 5.949 8.716 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -3.976 5.920 11.220 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -3.616 4.323 11.886 1.00 0.00 H new ATOM 53 N SER A 4 -3.766 8.123 9.667 1.00 0.00 N ATOM 54 CA SER A 4 -2.790 8.880 8.896 1.00 0.00 C ATOM 55 C SER A 4 -2.146 8.050 7.796 1.00 0.00 C ATOM 56 O SER A 4 -2.260 6.825 7.758 1.00 0.00 O ATOM 57 CB SER A 4 -1.696 9.452 9.794 1.00 0.00 C ATOM 58 OG SER A 4 -1.857 9.025 11.136 1.00 0.00 O ATOM 0 H SER A 4 -3.369 7.540 10.404 1.00 0.00 H new ATOM 0 HA SER A 4 -3.344 9.695 8.430 1.00 0.00 H new ATOM 0 HB2 SER A 4 -0.719 9.139 9.425 1.00 0.00 H new ATOM 0 HB3 SER A 4 -1.719 10.541 9.751 1.00 0.00 H new ATOM 0 HG SER A 4 -1.142 9.405 11.688 1.00 0.00 H new ATOM 64 N CYS A 5 -1.459 8.755 6.910 1.00 0.00 N ATOM 65 CA CYS A 5 -0.762 8.152 5.784 1.00 0.00 C ATOM 66 C CYS A 5 0.617 8.813 5.640 1.00 0.00 C ATOM 67 O CYS A 5 0.906 9.792 6.327 1.00 0.00 O ATOM 68 CB CYS A 5 -1.639 8.286 4.522 1.00 0.00 C ATOM 69 SG CYS A 5 -0.802 8.872 3.035 1.00 0.00 S ATOM 0 H CYS A 5 -1.369 9.770 6.953 1.00 0.00 H new ATOM 0 HA CYS A 5 -0.591 7.087 5.942 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -2.081 7.313 4.306 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -2.460 8.967 4.745 1.00 0.00 H new ATOM 0 HG CYS A 5 -1.444 9.893 2.549 1.00 0.00 H new ATOM 74 N SER A 6 1.476 8.271 4.778 1.00 0.00 N ATOM 75 CA SER A 6 2.820 8.823 4.609 1.00 0.00 C ATOM 76 C SER A 6 2.807 10.105 3.788 1.00 0.00 C ATOM 77 O SER A 6 3.470 11.082 4.137 1.00 0.00 O ATOM 78 CB SER A 6 3.735 7.793 3.952 1.00 0.00 C ATOM 79 OG SER A 6 5.087 8.211 4.009 1.00 0.00 O ATOM 0 H SER A 6 1.270 7.461 4.193 1.00 0.00 H new ATOM 0 HA SER A 6 3.201 9.067 5.601 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.626 6.831 4.453 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.439 7.647 2.913 1.00 0.00 H new ATOM 0 HG SER A 6 5.640 7.483 4.363 1.00 0.00 H new ATOM 85 N ALA A 7 2.062 10.085 2.690 1.00 0.00 N ATOM 86 CA ALA A 7 1.959 11.239 1.790 1.00 0.00 C ATOM 87 C ALA A 7 1.980 12.565 2.551 1.00 0.00 C ATOM 88 O ALA A 7 1.213 12.768 3.492 1.00 0.00 O ATOM 89 CB ALA A 7 0.699 11.138 0.945 1.00 0.00 C ATOM 0 H ALA A 7 1.514 9.277 2.395 1.00 0.00 H new ATOM 0 HA ALA A 7 2.833 11.222 1.138 1.00 0.00 H new ATOM 0 HB1 ALA A 7 0.635 12.001 0.282 1.00 0.00 H new ATOM 0 HB2 ALA A 7 0.732 10.225 0.350 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -0.175 11.116 1.596 1.00 0.00 H new ATOM 95 N TYR A 8 2.871 13.462 2.133 1.00 0.00 N ATOM 96 CA TYR A 8 3.008 14.770 2.769 1.00 0.00 C ATOM 97 C TYR A 8 1.684 15.531 2.754 1.00 0.00 C ATOM 98 O TYR A 8 1.062 15.692 1.705 1.00 0.00 O ATOM 99 CB TYR A 8 4.083 15.593 2.052 1.00 0.00 C ATOM 100 CG TYR A 8 4.341 16.942 2.687 1.00 0.00 C ATOM 101 CD1 TYR A 8 5.234 17.076 3.742 1.00 0.00 C ATOM 102 CD2 TYR A 8 3.689 18.080 2.229 1.00 0.00 C ATOM 103 CE1 TYR A 8 5.472 18.307 4.324 1.00 0.00 C ATOM 104 CE2 TYR A 8 3.921 19.315 2.806 1.00 0.00 C ATOM 105 CZ TYR A 8 4.813 19.423 3.853 1.00 0.00 C ATOM 106 OH TYR A 8 5.046 20.650 4.430 1.00 0.00 O ATOM 0 H TYR A 8 3.511 13.306 1.354 1.00 0.00 H new ATOM 0 HA TYR A 8 3.302 14.611 3.806 1.00 0.00 H new ATOM 0 HB2 TYR A 8 5.013 15.025 2.037 1.00 0.00 H new ATOM 0 HB3 TYR A 8 3.783 15.741 1.015 1.00 0.00 H new ATOM 0 HD1 TYR A 8 5.751 16.204 4.114 1.00 0.00 H new ATOM 0 HD2 TYR A 8 2.990 17.999 1.410 1.00 0.00 H new ATOM 0 HE1 TYR A 8 6.170 18.394 5.143 1.00 0.00 H new ATOM 0 HE2 TYR A 8 3.406 20.191 2.439 1.00 0.00 H new ATOM 0 HH TYR A 8 4.504 21.331 3.980 1.00 0.00 H new ATOM 116 N GLY A 9 1.267 16.004 3.928 1.00 0.00 N ATOM 117 CA GLY A 9 0.025 16.754 4.039 1.00 0.00 C ATOM 118 C GLY A 9 -1.111 16.134 3.254 1.00 0.00 C ATOM 119 O GLY A 9 -1.825 16.821 2.524 1.00 0.00 O ATOM 0 H GLY A 9 1.769 15.880 4.807 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -0.260 16.821 5.089 1.00 0.00 H new ATOM 0 HA3 GLY A 9 0.189 17.773 3.687 1.00 0.00 H new ATOM 123 N CYS A 10 -1.268 14.834 3.406 1.00 0.00 N ATOM 124 CA CYS A 10 -2.312 14.100 2.712 1.00 0.00 C ATOM 125 C CYS A 10 -3.693 14.454 3.269 1.00 0.00 C ATOM 126 O CYS A 10 -3.814 14.922 4.400 1.00 0.00 O ATOM 127 CB CYS A 10 -2.054 12.597 2.827 1.00 0.00 C ATOM 128 SG CYS A 10 -3.187 11.590 1.844 1.00 0.00 S ATOM 0 H CYS A 10 -0.681 14.258 4.009 1.00 0.00 H new ATOM 0 HA CYS A 10 -2.295 14.383 1.659 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -1.031 12.388 2.514 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -2.134 12.302 3.873 1.00 0.00 H new ATOM 0 HG CYS A 10 -3.231 12.048 0.628 1.00 0.00 H new ATOM 133 N LYS A 11 -4.731 14.228 2.464 1.00 0.00 N ATOM 134 CA LYS A 11 -6.098 14.523 2.869 1.00 0.00 C ATOM 135 C LYS A 11 -6.850 13.245 3.231 1.00 0.00 C ATOM 136 O LYS A 11 -8.080 13.212 3.245 1.00 0.00 O ATOM 137 CB LYS A 11 -6.834 15.265 1.753 1.00 0.00 C ATOM 138 CG LYS A 11 -7.655 16.441 2.250 1.00 0.00 C ATOM 139 CD LYS A 11 -6.809 17.700 2.325 1.00 0.00 C ATOM 140 CE LYS A 11 -7.484 18.775 3.163 1.00 0.00 C ATOM 141 NZ LYS A 11 -8.038 18.226 4.431 1.00 0.00 N ATOM 0 H LYS A 11 -4.647 13.840 1.525 1.00 0.00 H new ATOM 0 HA LYS A 11 -6.058 15.159 3.753 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -6.107 15.622 1.023 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -7.491 14.567 1.234 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -8.501 16.606 1.583 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -8.064 16.214 3.234 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -5.836 17.461 2.753 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -6.630 18.080 1.319 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -6.765 19.561 3.392 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -8.286 19.235 2.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -8.147 18.994 5.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -8.965 17.793 4.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -7.389 17.507 4.811 1.00 0.00 H new ATOM 155 N ASN A 12 -6.091 12.199 3.521 1.00 0.00 N ATOM 156 CA ASN A 12 -6.642 10.908 3.885 1.00 0.00 C ATOM 157 C ASN A 12 -7.620 11.008 5.049 1.00 0.00 C ATOM 158 O ASN A 12 -7.646 12.000 5.777 1.00 0.00 O ATOM 159 CB ASN A 12 -5.505 9.993 4.300 1.00 0.00 C ATOM 160 CG ASN A 12 -4.767 10.545 5.500 1.00 0.00 C ATOM 161 OD1 ASN A 12 -5.010 11.672 5.933 1.00 0.00 O ATOM 162 ND2 ASN A 12 -3.866 9.755 6.043 1.00 0.00 N ATOM 0 H ASN A 12 -5.071 12.225 3.510 1.00 0.00 H new ATOM 0 HA ASN A 12 -7.179 10.520 3.019 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -5.898 9.004 4.535 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -4.811 9.871 3.468 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -3.336 10.069 6.856 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -3.697 8.829 5.651 1.00 0.00 H new ATOM 169 N ARG A 13 -8.401 9.950 5.230 1.00 0.00 N ATOM 170 CA ARG A 13 -9.367 9.886 6.329 1.00 0.00 C ATOM 171 C ARG A 13 -10.145 8.575 6.323 1.00 0.00 C ATOM 172 O ARG A 13 -10.881 8.286 5.379 1.00 0.00 O ATOM 173 CB ARG A 13 -10.339 11.066 6.269 1.00 0.00 C ATOM 174 CG ARG A 13 -10.556 11.616 4.866 1.00 0.00 C ATOM 175 CD ARG A 13 -11.852 12.404 4.768 1.00 0.00 C ATOM 176 NE ARG A 13 -12.020 13.325 5.890 1.00 0.00 N ATOM 177 CZ ARG A 13 -11.424 14.512 5.971 1.00 0.00 C ATOM 178 NH1 ARG A 13 -10.618 14.926 5.001 1.00 0.00 N ATOM 179 NH2 ARG A 13 -11.635 15.287 7.025 1.00 0.00 N ATOM 0 H ARG A 13 -8.387 9.123 4.633 1.00 0.00 H new ATOM 0 HA ARG A 13 -8.798 9.939 7.257 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -11.300 10.754 6.679 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -9.964 11.866 6.908 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -9.718 12.257 4.592 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -10.575 10.793 4.151 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -11.865 12.965 3.834 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -12.695 11.713 4.737 1.00 0.00 H new ATOM 0 HE ARG A 13 -12.630 13.041 6.656 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -10.453 14.333 4.188 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -10.164 15.837 5.069 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -12.254 14.973 7.773 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -11.179 16.197 7.088 1.00 0.00 H new ATOM 193 N TYR A 14 -9.991 7.784 7.389 1.00 0.00 N ATOM 194 CA TYR A 14 -10.692 6.516 7.502 1.00 0.00 C ATOM 195 C TYR A 14 -12.122 6.736 7.988 1.00 0.00 C ATOM 196 O TYR A 14 -12.413 6.594 9.176 1.00 0.00 O ATOM 197 CB TYR A 14 -9.942 5.602 8.466 1.00 0.00 C ATOM 198 CG TYR A 14 -10.462 4.181 8.485 1.00 0.00 C ATOM 199 CD1 TYR A 14 -11.528 3.820 9.299 1.00 0.00 C ATOM 200 CD2 TYR A 14 -9.884 3.203 7.688 1.00 0.00 C ATOM 201 CE1 TYR A 14 -12.004 2.522 9.316 1.00 0.00 C ATOM 202 CE2 TYR A 14 -10.355 1.905 7.698 1.00 0.00 C ATOM 203 CZ TYR A 14 -11.413 1.569 8.514 1.00 0.00 C ATOM 204 OH TYR A 14 -11.884 0.276 8.528 1.00 0.00 O ATOM 0 H TYR A 14 -9.387 8.005 8.181 1.00 0.00 H new ATOM 0 HA TYR A 14 -10.734 6.046 6.519 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -8.886 5.590 8.194 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -10.008 6.017 9.472 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -11.992 4.565 9.928 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -9.052 3.461 7.049 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -12.834 2.256 9.954 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -9.896 1.157 7.069 1.00 0.00 H new ATOM 0 HH TYR A 14 -11.359 -0.270 7.906 1.00 0.00 H new ATOM 214 N ASP A 15 -13.009 7.096 7.065 1.00 0.00 N ATOM 215 CA ASP A 15 -14.406 7.349 7.404 1.00 0.00 C ATOM 216 C ASP A 15 -15.324 6.290 6.804 1.00 0.00 C ATOM 217 O ASP A 15 -14.975 5.636 5.821 1.00 0.00 O ATOM 218 CB ASP A 15 -14.826 8.731 6.914 1.00 0.00 C ATOM 219 CG ASP A 15 -16.112 9.208 7.561 1.00 0.00 C ATOM 220 OD1 ASP A 15 -17.193 8.725 7.160 1.00 0.00 O ATOM 221 OD2 ASP A 15 -16.039 10.063 8.466 1.00 0.00 O ATOM 0 H ASP A 15 -12.786 7.219 6.077 1.00 0.00 H new ATOM 0 HA ASP A 15 -14.497 7.305 8.489 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -14.030 9.445 7.124 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -14.954 8.706 5.832 1.00 0.00 H new ATOM 226 N LYS A 16 -16.503 6.133 7.397 1.00 0.00 N ATOM 227 CA LYS A 16 -17.476 5.159 6.913 1.00 0.00 C ATOM 228 C LYS A 16 -17.914 5.495 5.492 1.00 0.00 C ATOM 229 O LYS A 16 -18.289 4.615 4.719 1.00 0.00 O ATOM 230 CB LYS A 16 -18.696 5.096 7.842 1.00 0.00 C ATOM 231 CG LYS A 16 -19.565 6.348 7.818 1.00 0.00 C ATOM 232 CD LYS A 16 -21.046 5.999 7.813 1.00 0.00 C ATOM 233 CE LYS A 16 -21.625 6.019 6.406 1.00 0.00 C ATOM 234 NZ LYS A 16 -21.216 7.236 5.652 1.00 0.00 N ATOM 0 H LYS A 16 -16.808 6.666 8.211 1.00 0.00 H new ATOM 0 HA LYS A 16 -16.996 4.180 6.907 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -19.307 4.238 7.563 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -18.353 4.925 8.862 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -19.339 6.966 8.687 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -19.327 6.941 6.935 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -21.188 5.011 8.251 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -21.589 6.707 8.440 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -21.297 5.131 5.866 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -22.713 5.975 6.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -21.981 7.517 5.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -21.025 8.010 6.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -20.356 7.032 5.103 1.00 0.00 H new ATOM 248 N ASP A 17 -17.851 6.776 5.159 1.00 0.00 N ATOM 249 CA ASP A 17 -18.227 7.249 3.836 1.00 0.00 C ATOM 250 C ASP A 17 -17.061 7.098 2.869 1.00 0.00 C ATOM 251 O ASP A 17 -17.179 6.458 1.826 1.00 0.00 O ATOM 252 CB ASP A 17 -18.648 8.716 3.912 1.00 0.00 C ATOM 253 CG ASP A 17 -20.111 8.918 3.568 1.00 0.00 C ATOM 254 OD1 ASP A 17 -20.544 8.426 2.505 1.00 0.00 O ATOM 255 OD2 ASP A 17 -20.823 9.569 4.362 1.00 0.00 O ATOM 0 H ASP A 17 -17.540 7.512 5.794 1.00 0.00 H new ATOM 0 HA ASP A 17 -19.063 6.651 3.474 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -18.459 9.094 4.917 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -18.033 9.303 3.230 1.00 0.00 H new ATOM 260 N LYS A 18 -15.936 7.701 3.234 1.00 0.00 N ATOM 261 CA LYS A 18 -14.731 7.653 2.416 1.00 0.00 C ATOM 262 C LYS A 18 -14.188 6.228 2.315 1.00 0.00 C ATOM 263 O LYS A 18 -13.670 5.686 3.290 1.00 0.00 O ATOM 264 CB LYS A 18 -13.662 8.567 3.017 1.00 0.00 C ATOM 265 CG LYS A 18 -12.401 8.664 2.175 1.00 0.00 C ATOM 266 CD LYS A 18 -12.463 9.838 1.209 1.00 0.00 C ATOM 267 CE LYS A 18 -12.470 9.372 -0.239 1.00 0.00 C ATOM 268 NZ LYS A 18 -11.386 8.386 -0.510 1.00 0.00 N ATOM 0 H LYS A 18 -15.834 8.233 4.098 1.00 0.00 H new ATOM 0 HA LYS A 18 -14.988 7.994 1.413 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -14.080 9.565 3.146 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -13.399 8.201 4.009 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -11.535 8.774 2.827 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -12.264 7.738 1.616 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -13.359 10.426 1.407 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -11.608 10.493 1.377 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -13.436 8.923 -0.471 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -12.352 10.232 -0.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -11.129 8.421 -1.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -10.553 8.618 0.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -11.718 7.430 -0.270 1.00 0.00 H new ATOM 282 N PRO A 19 -14.299 5.594 1.130 1.00 0.00 N ATOM 283 CA PRO A 19 -13.817 4.223 0.912 1.00 0.00 C ATOM 284 C PRO A 19 -12.302 4.129 0.779 1.00 0.00 C ATOM 285 O PRO A 19 -11.779 3.338 -0.005 1.00 0.00 O ATOM 286 CB PRO A 19 -14.450 3.850 -0.412 1.00 0.00 C ATOM 287 CG PRO A 19 -14.557 5.154 -1.134 1.00 0.00 C ATOM 288 CD PRO A 19 -14.912 6.147 -0.089 1.00 0.00 C ATOM 0 HA PRO A 19 -14.073 3.578 1.752 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -13.836 3.137 -0.962 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -15.427 3.388 -0.272 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -13.617 5.413 -1.621 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -15.318 5.112 -1.913 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -14.518 7.136 -0.324 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -15.992 6.251 0.016 1.00 0.00 H new ATOM 296 N VAL A 20 -11.616 4.944 1.540 1.00 0.00 N ATOM 297 CA VAL A 20 -10.162 4.986 1.523 1.00 0.00 C ATOM 298 C VAL A 20 -9.552 3.875 2.376 1.00 0.00 C ATOM 299 O VAL A 20 -9.963 3.653 3.515 1.00 0.00 O ATOM 300 CB VAL A 20 -9.647 6.354 2.016 1.00 0.00 C ATOM 301 CG1 VAL A 20 -9.851 6.507 3.517 1.00 0.00 C ATOM 302 CG2 VAL A 20 -8.185 6.542 1.646 1.00 0.00 C ATOM 0 H VAL A 20 -12.044 5.601 2.192 1.00 0.00 H new ATOM 0 HA VAL A 20 -9.852 4.834 0.489 1.00 0.00 H new ATOM 0 HB VAL A 20 -10.227 7.132 1.520 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -9.479 7.480 3.837 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -10.913 6.430 3.750 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -9.307 5.721 4.040 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -7.841 7.513 2.003 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -7.589 5.754 2.107 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -8.075 6.494 0.563 1.00 0.00 H new ATOM 312 N SER A 21 -8.564 3.189 1.812 1.00 0.00 N ATOM 313 CA SER A 21 -7.880 2.107 2.509 1.00 0.00 C ATOM 314 C SER A 21 -6.439 2.497 2.821 1.00 0.00 C ATOM 315 O SER A 21 -5.910 3.455 2.257 1.00 0.00 O ATOM 316 CB SER A 21 -7.902 0.829 1.670 1.00 0.00 C ATOM 317 OG SER A 21 -7.993 1.126 0.287 1.00 0.00 O ATOM 0 H SER A 21 -8.218 3.365 0.869 1.00 0.00 H new ATOM 0 HA SER A 21 -8.405 1.922 3.446 1.00 0.00 H new ATOM 0 HB2 SER A 21 -6.999 0.249 1.862 1.00 0.00 H new ATOM 0 HB3 SER A 21 -8.748 0.209 1.968 1.00 0.00 H new ATOM 0 HG SER A 21 -8.004 0.292 -0.227 1.00 0.00 H new ATOM 323 N PHE A 22 -5.810 1.755 3.725 1.00 0.00 N ATOM 324 CA PHE A 22 -4.433 2.029 4.114 1.00 0.00 C ATOM 325 C PHE A 22 -3.574 0.769 4.012 1.00 0.00 C ATOM 326 O PHE A 22 -4.065 -0.344 4.197 1.00 0.00 O ATOM 327 CB PHE A 22 -4.409 2.587 5.535 1.00 0.00 C ATOM 328 CG PHE A 22 -4.893 4.010 5.614 1.00 0.00 C ATOM 329 CD1 PHE A 22 -6.218 4.321 5.344 1.00 0.00 C ATOM 330 CD2 PHE A 22 -4.023 5.038 5.941 1.00 0.00 C ATOM 331 CE1 PHE A 22 -6.664 5.629 5.403 1.00 0.00 C ATOM 332 CE2 PHE A 22 -4.464 6.345 5.997 1.00 0.00 C ATOM 333 CZ PHE A 22 -5.784 6.642 5.729 1.00 0.00 C ATOM 0 H PHE A 22 -6.232 0.959 4.202 1.00 0.00 H new ATOM 0 HA PHE A 22 -4.013 2.768 3.432 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -5.030 1.961 6.176 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -3.392 2.532 5.924 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -6.909 3.533 5.085 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -2.988 4.814 6.154 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -7.699 5.858 5.194 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -3.774 7.136 6.251 1.00 0.00 H new ATOM 0 HZ PHE A 22 -6.129 7.665 5.774 1.00 0.00 H new ATOM 343 N HIS A 23 -2.295 0.954 3.701 1.00 0.00 N ATOM 344 CA HIS A 23 -1.370 -0.167 3.555 1.00 0.00 C ATOM 345 C HIS A 23 0.008 0.171 4.125 1.00 0.00 C ATOM 346 O HIS A 23 0.646 1.127 3.698 1.00 0.00 O ATOM 347 CB HIS A 23 -1.220 -0.535 2.077 1.00 0.00 C ATOM 348 CG HIS A 23 -2.491 -0.446 1.291 1.00 0.00 C ATOM 349 ND1 HIS A 23 -3.050 -1.522 0.635 1.00 0.00 N ATOM 350 CD2 HIS A 23 -3.308 0.606 1.043 1.00 0.00 C ATOM 351 CE1 HIS A 23 -4.154 -1.137 0.019 1.00 0.00 C ATOM 352 NE2 HIS A 23 -4.333 0.150 0.252 1.00 0.00 N ATOM 0 H HIS A 23 -1.874 1.870 3.545 1.00 0.00 H new ATOM 0 HA HIS A 23 -1.782 -1.010 4.110 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -0.479 0.123 1.624 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -0.831 -1.551 2.005 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -3.177 1.616 1.401 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -4.800 -1.768 -0.574 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -5.107 0.714 -0.099 1.00 0.00 H new ATOM 361 N LYS A 24 0.469 -0.631 5.078 1.00 0.00 N ATOM 362 CA LYS A 24 1.782 -0.420 5.687 1.00 0.00 C ATOM 363 C LYS A 24 2.889 -0.730 4.683 1.00 0.00 C ATOM 364 O LYS A 24 2.660 -1.444 3.707 1.00 0.00 O ATOM 365 CB LYS A 24 1.939 -1.302 6.929 1.00 0.00 C ATOM 366 CG LYS A 24 2.107 -0.511 8.216 1.00 0.00 C ATOM 367 CD LYS A 24 1.130 -0.969 9.286 1.00 0.00 C ATOM 368 CE LYS A 24 1.807 -1.855 10.319 1.00 0.00 C ATOM 369 NZ LYS A 24 1.426 -1.482 11.708 1.00 0.00 N ATOM 0 H LYS A 24 -0.044 -1.432 5.447 1.00 0.00 H new ATOM 0 HA LYS A 24 1.861 0.625 5.985 1.00 0.00 H new ATOM 0 HB2 LYS A 24 1.065 -1.947 7.020 1.00 0.00 H new ATOM 0 HB3 LYS A 24 2.803 -1.953 6.796 1.00 0.00 H new ATOM 0 HG2 LYS A 24 3.127 -0.623 8.582 1.00 0.00 H new ATOM 0 HG3 LYS A 24 1.956 0.549 8.014 1.00 0.00 H new ATOM 0 HD2 LYS A 24 0.696 -0.099 9.780 1.00 0.00 H new ATOM 0 HD3 LYS A 24 0.309 -1.514 8.821 1.00 0.00 H new ATOM 0 HE2 LYS A 24 1.538 -2.895 10.136 1.00 0.00 H new ATOM 0 HE3 LYS A 24 2.889 -1.781 10.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 1.909 -2.110 12.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 1.705 -0.497 11.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 0.397 -1.577 11.823 1.00 0.00 H new ATOM 383 N PHE A 25 4.091 -0.200 4.914 1.00 0.00 N ATOM 384 CA PHE A 25 5.201 -0.454 4.002 1.00 0.00 C ATOM 385 C PHE A 25 5.465 -1.951 3.907 1.00 0.00 C ATOM 386 O PHE A 25 5.424 -2.666 4.909 1.00 0.00 O ATOM 387 CB PHE A 25 6.456 0.325 4.405 1.00 0.00 C ATOM 388 CG PHE A 25 6.771 1.434 3.432 1.00 0.00 C ATOM 389 CD1 PHE A 25 6.189 2.685 3.576 1.00 0.00 C ATOM 390 CD2 PHE A 25 7.625 1.217 2.360 1.00 0.00 C ATOM 391 CE1 PHE A 25 6.458 3.701 2.671 1.00 0.00 C ATOM 392 CE2 PHE A 25 7.891 2.226 1.448 1.00 0.00 C ATOM 393 CZ PHE A 25 7.309 3.469 1.604 1.00 0.00 C ATOM 0 H PHE A 25 4.316 0.397 5.710 1.00 0.00 H new ATOM 0 HA PHE A 25 4.923 -0.094 3.011 1.00 0.00 H new ATOM 0 HB2 PHE A 25 6.317 0.745 5.401 1.00 0.00 H new ATOM 0 HB3 PHE A 25 7.303 -0.358 4.463 1.00 0.00 H new ATOM 0 HD1 PHE A 25 5.519 2.870 4.402 1.00 0.00 H new ATOM 0 HD2 PHE A 25 8.088 0.249 2.235 1.00 0.00 H new ATOM 0 HE1 PHE A 25 6.004 4.673 2.799 1.00 0.00 H new ATOM 0 HE2 PHE A 25 8.553 2.040 0.615 1.00 0.00 H new ATOM 0 HZ PHE A 25 7.517 4.257 0.896 1.00 0.00 H new ATOM 403 N PRO A 26 5.685 -2.452 2.682 1.00 0.00 N ATOM 404 CA PRO A 26 5.892 -3.874 2.425 1.00 0.00 C ATOM 405 C PRO A 26 7.356 -4.300 2.424 1.00 0.00 C ATOM 406 O PRO A 26 8.255 -3.489 2.201 1.00 0.00 O ATOM 407 CB PRO A 26 5.304 -3.990 1.027 1.00 0.00 C ATOM 408 CG PRO A 26 5.777 -2.748 0.361 1.00 0.00 C ATOM 409 CD PRO A 26 5.697 -1.679 1.420 1.00 0.00 C ATOM 0 HA PRO A 26 5.448 -4.510 3.190 1.00 0.00 H new ATOM 0 HB2 PRO A 26 5.658 -4.884 0.513 1.00 0.00 H new ATOM 0 HB3 PRO A 26 4.216 -4.046 1.050 1.00 0.00 H new ATOM 0 HG2 PRO A 26 6.796 -2.862 -0.008 1.00 0.00 H new ATOM 0 HG3 PRO A 26 5.154 -2.499 -0.498 1.00 0.00 H new ATOM 0 HD2 PRO A 26 6.549 -1.000 1.372 1.00 0.00 H new ATOM 0 HD3 PRO A 26 4.799 -1.071 1.312 1.00 0.00 H new ATOM 417 N LEU A 27 7.577 -5.590 2.658 1.00 0.00 N ATOM 418 CA LEU A 27 8.913 -6.155 2.671 1.00 0.00 C ATOM 419 C LEU A 27 9.112 -7.082 1.472 1.00 0.00 C ATOM 420 O LEU A 27 10.227 -7.236 0.972 1.00 0.00 O ATOM 421 CB LEU A 27 9.166 -6.917 3.976 1.00 0.00 C ATOM 422 CG LEU A 27 8.373 -8.219 4.136 1.00 0.00 C ATOM 423 CD1 LEU A 27 9.311 -9.389 4.395 1.00 0.00 C ATOM 424 CD2 LEU A 27 7.357 -8.091 5.262 1.00 0.00 C ATOM 0 H LEU A 27 6.836 -6.266 2.843 1.00 0.00 H new ATOM 0 HA LEU A 27 9.630 -5.337 2.604 1.00 0.00 H new ATOM 0 HB2 LEU A 27 10.229 -7.147 4.043 1.00 0.00 H new ATOM 0 HB3 LEU A 27 8.929 -6.261 4.813 1.00 0.00 H new ATOM 0 HG LEU A 27 7.835 -8.409 3.207 1.00 0.00 H new ATOM 0 HD11 LEU A 27 8.729 -10.304 4.506 1.00 0.00 H new ATOM 0 HD12 LEU A 27 9.999 -9.496 3.557 1.00 0.00 H new ATOM 0 HD13 LEU A 27 9.877 -9.206 5.308 1.00 0.00 H new ATOM 0 HD21 LEU A 27 6.804 -9.025 5.361 1.00 0.00 H new ATOM 0 HD22 LEU A 27 7.875 -7.876 6.197 1.00 0.00 H new ATOM 0 HD23 LEU A 27 6.664 -7.281 5.036 1.00 0.00 H new ATOM 436 N THR A 28 8.020 -7.690 1.012 1.00 0.00 N ATOM 437 CA THR A 28 8.068 -8.593 -0.133 1.00 0.00 C ATOM 438 C THR A 28 8.405 -7.821 -1.403 1.00 0.00 C ATOM 439 O THR A 28 8.992 -8.367 -2.336 1.00 0.00 O ATOM 440 CB THR A 28 6.730 -9.318 -0.297 1.00 0.00 C ATOM 441 OG1 THR A 28 5.665 -8.389 -0.394 1.00 0.00 O ATOM 442 CG2 THR A 28 6.417 -10.259 0.846 1.00 0.00 C ATOM 0 H THR A 28 7.091 -7.573 1.416 1.00 0.00 H new ATOM 0 HA THR A 28 8.848 -9.334 0.044 1.00 0.00 H new ATOM 0 HB THR A 28 6.827 -9.903 -1.212 1.00 0.00 H new ATOM 0 HG1 THR A 28 4.819 -8.872 -0.500 1.00 0.00 H new ATOM 0 HG21 THR A 28 5.456 -10.741 0.668 1.00 0.00 H new ATOM 0 HG22 THR A 28 7.196 -11.018 0.916 1.00 0.00 H new ATOM 0 HG23 THR A 28 6.374 -9.697 1.779 1.00 0.00 H new ATOM 450 N ARG A 29 8.028 -6.546 -1.421 1.00 0.00 N ATOM 451 CA ARG A 29 8.281 -5.672 -2.548 1.00 0.00 C ATOM 452 C ARG A 29 9.387 -4.684 -2.181 1.00 0.00 C ATOM 453 O ARG A 29 9.114 -3.659 -1.568 1.00 0.00 O ATOM 454 CB ARG A 29 6.982 -4.945 -2.890 1.00 0.00 C ATOM 455 CG ARG A 29 7.104 -3.997 -4.063 1.00 0.00 C ATOM 456 CD ARG A 29 6.914 -2.563 -3.614 1.00 0.00 C ATOM 457 NE ARG A 29 5.567 -2.071 -3.922 1.00 0.00 N ATOM 458 CZ ARG A 29 5.286 -0.943 -4.596 1.00 0.00 C ATOM 459 NH1 ARG A 29 6.241 -0.092 -4.988 1.00 0.00 N ATOM 460 NH2 ARG A 29 4.027 -0.657 -4.863 1.00 0.00 N ATOM 0 H ARG A 29 7.537 -6.094 -0.649 1.00 0.00 H new ATOM 0 HA ARG A 29 8.611 -6.240 -3.418 1.00 0.00 H new ATOM 0 HB2 ARG A 29 6.210 -5.683 -3.110 1.00 0.00 H new ATOM 0 HB3 ARG A 29 6.648 -4.386 -2.016 1.00 0.00 H new ATOM 0 HG2 ARG A 29 8.083 -4.111 -4.529 1.00 0.00 H new ATOM 0 HG3 ARG A 29 6.360 -4.248 -4.819 1.00 0.00 H new ATOM 0 HD2 ARG A 29 7.091 -2.491 -2.541 1.00 0.00 H new ATOM 0 HD3 ARG A 29 7.654 -1.928 -4.102 1.00 0.00 H new ATOM 0 HE ARG A 29 4.779 -2.631 -3.598 1.00 0.00 H new ATOM 0 HH11 ARG A 29 7.219 -0.290 -4.777 1.00 0.00 H new ATOM 0 HH12 ARG A 29 5.991 0.755 -5.498 1.00 0.00 H new ATOM 0 HH21 ARG A 29 3.285 -1.288 -4.559 1.00 0.00 H new ATOM 0 HH22 ARG A 29 3.795 0.195 -5.374 1.00 0.00 H new ATOM 474 N PRO A 30 10.664 -5.012 -2.508 1.00 0.00 N ATOM 475 CA PRO A 30 11.824 -4.179 -2.175 1.00 0.00 C ATOM 476 C PRO A 30 12.262 -3.200 -3.272 1.00 0.00 C ATOM 477 O PRO A 30 12.090 -1.993 -3.126 1.00 0.00 O ATOM 478 CB PRO A 30 12.891 -5.222 -1.925 1.00 0.00 C ATOM 479 CG PRO A 30 12.554 -6.367 -2.833 1.00 0.00 C ATOM 480 CD PRO A 30 11.084 -6.250 -3.186 1.00 0.00 C ATOM 0 HA PRO A 30 11.609 -3.513 -1.339 1.00 0.00 H new ATOM 0 HB2 PRO A 30 13.884 -4.828 -2.143 1.00 0.00 H new ATOM 0 HB3 PRO A 30 12.895 -5.537 -0.881 1.00 0.00 H new ATOM 0 HG2 PRO A 30 13.168 -6.336 -3.733 1.00 0.00 H new ATOM 0 HG3 PRO A 30 12.756 -7.319 -2.341 1.00 0.00 H new ATOM 0 HD2 PRO A 30 10.934 -6.188 -4.264 1.00 0.00 H new ATOM 0 HD3 PRO A 30 10.517 -7.112 -2.834 1.00 0.00 H new ATOM 488 N SER A 31 12.832 -3.700 -4.369 1.00 0.00 N ATOM 489 CA SER A 31 13.273 -2.818 -5.452 1.00 0.00 C ATOM 490 C SER A 31 12.124 -1.923 -5.868 1.00 0.00 C ATOM 491 O SER A 31 12.236 -0.697 -5.900 1.00 0.00 O ATOM 492 CB SER A 31 13.775 -3.633 -6.646 1.00 0.00 C ATOM 493 OG SER A 31 13.221 -4.937 -6.641 1.00 0.00 O ATOM 0 H SER A 31 12.998 -4.693 -4.531 1.00 0.00 H new ATOM 0 HA SER A 31 14.100 -2.203 -5.096 1.00 0.00 H new ATOM 0 HB2 SER A 31 13.511 -3.126 -7.574 1.00 0.00 H new ATOM 0 HB3 SER A 31 14.863 -3.696 -6.616 1.00 0.00 H new ATOM 0 HG SER A 31 13.555 -5.437 -7.414 1.00 0.00 H new ATOM 499 N LEU A 32 11.003 -2.561 -6.121 1.00 0.00 N ATOM 500 CA LEU A 32 9.781 -1.870 -6.476 1.00 0.00 C ATOM 501 C LEU A 32 9.425 -0.903 -5.352 1.00 0.00 C ATOM 502 O LEU A 32 8.888 0.178 -5.577 1.00 0.00 O ATOM 503 CB LEU A 32 8.678 -2.893 -6.651 1.00 0.00 C ATOM 504 CG LEU A 32 7.287 -2.326 -6.933 1.00 0.00 C ATOM 505 CD1 LEU A 32 7.356 -1.129 -7.868 1.00 0.00 C ATOM 506 CD2 LEU A 32 6.407 -3.397 -7.530 1.00 0.00 C ATOM 0 H LEU A 32 10.912 -3.576 -6.087 1.00 0.00 H new ATOM 0 HA LEU A 32 9.907 -1.314 -7.405 1.00 0.00 H new ATOM 0 HB2 LEU A 32 8.952 -3.559 -7.470 1.00 0.00 H new ATOM 0 HB3 LEU A 32 8.626 -3.502 -5.749 1.00 0.00 H new ATOM 0 HG LEU A 32 6.861 -1.990 -5.988 1.00 0.00 H new ATOM 0 HD11 LEU A 32 6.350 -0.750 -8.048 1.00 0.00 H new ATOM 0 HD12 LEU A 32 7.963 -0.346 -7.413 1.00 0.00 H new ATOM 0 HD13 LEU A 32 7.804 -1.432 -8.814 1.00 0.00 H new ATOM 0 HD21 LEU A 32 5.417 -2.986 -7.728 1.00 0.00 H new ATOM 0 HD22 LEU A 32 6.846 -3.751 -8.463 1.00 0.00 H new ATOM 0 HD23 LEU A 32 6.321 -4.229 -6.831 1.00 0.00 H new ATOM 518 N CYS A 33 9.740 -1.325 -4.126 1.00 0.00 N ATOM 519 CA CYS A 33 9.472 -0.531 -2.931 1.00 0.00 C ATOM 520 C CYS A 33 10.065 0.862 -3.047 1.00 0.00 C ATOM 521 O CYS A 33 9.522 1.826 -2.511 1.00 0.00 O ATOM 522 CB CYS A 33 10.062 -1.220 -1.710 1.00 0.00 C ATOM 523 SG CYS A 33 9.168 -0.899 -0.172 1.00 0.00 S ATOM 0 H CYS A 33 10.186 -2.223 -3.937 1.00 0.00 H new ATOM 0 HA CYS A 33 8.391 -0.442 -2.827 1.00 0.00 H new ATOM 0 HB2 CYS A 33 10.082 -2.295 -1.888 1.00 0.00 H new ATOM 0 HB3 CYS A 33 11.096 -0.898 -1.590 1.00 0.00 H new ATOM 0 HG CYS A 33 9.747 -1.530 0.806 1.00 0.00 H new ATOM 529 N LYS A 34 11.176 0.972 -3.763 1.00 0.00 N ATOM 530 CA LYS A 34 11.820 2.255 -3.956 1.00 0.00 C ATOM 531 C LYS A 34 10.781 3.231 -4.483 1.00 0.00 C ATOM 532 O LYS A 34 10.758 4.407 -4.122 1.00 0.00 O ATOM 533 CB LYS A 34 13.000 2.109 -4.935 1.00 0.00 C ATOM 534 CG LYS A 34 13.550 3.431 -5.457 1.00 0.00 C ATOM 535 CD LYS A 34 14.070 3.296 -6.883 1.00 0.00 C ATOM 536 CE LYS A 34 12.975 2.872 -7.854 1.00 0.00 C ATOM 537 NZ LYS A 34 12.566 3.988 -8.751 1.00 0.00 N ATOM 0 H LYS A 34 11.645 0.188 -4.217 1.00 0.00 H new ATOM 0 HA LYS A 34 12.221 2.630 -3.015 1.00 0.00 H new ATOM 0 HB2 LYS A 34 13.804 1.566 -4.438 1.00 0.00 H new ATOM 0 HB3 LYS A 34 12.681 1.502 -5.782 1.00 0.00 H new ATOM 0 HG2 LYS A 34 12.768 4.190 -5.424 1.00 0.00 H new ATOM 0 HG3 LYS A 34 14.354 3.774 -4.806 1.00 0.00 H new ATOM 0 HD2 LYS A 34 14.492 4.248 -7.206 1.00 0.00 H new ATOM 0 HD3 LYS A 34 14.878 2.565 -6.906 1.00 0.00 H new ATOM 0 HE2 LYS A 34 13.327 2.034 -8.455 1.00 0.00 H new ATOM 0 HE3 LYS A 34 12.109 2.521 -7.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 11.820 3.659 -9.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 12.206 4.779 -8.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 13.387 4.307 -9.305 1.00 0.00 H new ATOM 551 N GLU A 35 9.895 2.701 -5.315 1.00 0.00 N ATOM 552 CA GLU A 35 8.821 3.467 -5.888 1.00 0.00 C ATOM 553 C GLU A 35 7.964 4.061 -4.792 1.00 0.00 C ATOM 554 O GLU A 35 7.526 5.211 -4.867 1.00 0.00 O ATOM 555 CB GLU A 35 7.972 2.568 -6.786 1.00 0.00 C ATOM 556 CG GLU A 35 8.784 1.924 -7.877 1.00 0.00 C ATOM 557 CD GLU A 35 7.954 1.530 -9.081 1.00 0.00 C ATOM 558 OE1 GLU A 35 6.961 2.231 -9.370 1.00 0.00 O ATOM 559 OE2 GLU A 35 8.302 0.530 -9.743 1.00 0.00 O ATOM 0 H GLU A 35 9.910 1.724 -5.606 1.00 0.00 H new ATOM 0 HA GLU A 35 9.239 4.278 -6.484 1.00 0.00 H new ATOM 0 HB2 GLU A 35 7.501 1.793 -6.181 1.00 0.00 H new ATOM 0 HB3 GLU A 35 7.170 3.156 -7.232 1.00 0.00 H new ATOM 0 HG2 GLU A 35 9.568 2.612 -8.193 1.00 0.00 H new ATOM 0 HG3 GLU A 35 9.279 1.038 -7.479 1.00 0.00 H new ATOM 566 N TRP A 36 7.757 3.263 -3.757 1.00 0.00 N ATOM 567 CA TRP A 36 6.969 3.696 -2.613 1.00 0.00 C ATOM 568 C TRP A 36 7.591 4.929 -1.995 1.00 0.00 C ATOM 569 O TRP A 36 6.885 5.809 -1.502 1.00 0.00 O ATOM 570 CB TRP A 36 6.805 2.583 -1.604 1.00 0.00 C ATOM 571 CG TRP A 36 5.528 1.824 -1.761 1.00 0.00 C ATOM 572 CD1 TRP A 36 4.943 1.404 -2.915 1.00 0.00 C ATOM 573 CD2 TRP A 36 4.672 1.413 -0.705 1.00 0.00 C ATOM 574 NE1 TRP A 36 3.777 0.728 -2.629 1.00 0.00 N ATOM 575 CE2 TRP A 36 3.595 0.722 -1.267 1.00 0.00 C ATOM 576 CE3 TRP A 36 4.721 1.556 0.667 1.00 0.00 C ATOM 577 CZ2 TRP A 36 2.580 0.178 -0.473 1.00 0.00 C ATOM 578 CZ3 TRP A 36 3.718 1.024 1.425 1.00 0.00 C ATOM 579 CH2 TRP A 36 2.672 0.345 0.862 1.00 0.00 C ATOM 0 H TRP A 36 8.123 2.314 -3.685 1.00 0.00 H new ATOM 0 HA TRP A 36 5.968 3.956 -2.957 1.00 0.00 H new ATOM 0 HB2 TRP A 36 7.643 1.892 -1.696 1.00 0.00 H new ATOM 0 HB3 TRP A 36 6.848 3.004 -0.599 1.00 0.00 H new ATOM 0 HD1 TRP A 36 5.334 1.575 -3.907 1.00 0.00 H new ATOM 0 HE1 TRP A 36 3.153 0.303 -3.314 1.00 0.00 H new ATOM 0 HE3 TRP A 36 5.541 2.081 1.134 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 1.752 -0.357 -0.914 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 3.751 1.142 2.498 1.00 0.00 H new ATOM 0 HH2 TRP A 36 1.904 -0.066 1.500 1.00 0.00 H new ATOM 590 N GLU A 37 8.915 5.030 -2.073 1.00 0.00 N ATOM 591 CA GLU A 37 9.594 6.206 -1.556 1.00 0.00 C ATOM 592 C GLU A 37 8.995 7.447 -2.191 1.00 0.00 C ATOM 593 O GLU A 37 8.778 8.465 -1.533 1.00 0.00 O ATOM 594 CB GLU A 37 11.083 6.130 -1.868 1.00 0.00 C ATOM 595 CG GLU A 37 11.752 4.889 -1.312 1.00 0.00 C ATOM 596 CD GLU A 37 13.076 5.190 -0.638 1.00 0.00 C ATOM 597 OE1 GLU A 37 13.193 6.265 -0.013 1.00 0.00 O ATOM 598 OE2 GLU A 37 13.998 4.352 -0.736 1.00 0.00 O ATOM 0 H GLU A 37 9.527 4.324 -2.482 1.00 0.00 H new ATOM 0 HA GLU A 37 9.466 6.252 -0.474 1.00 0.00 H new ATOM 0 HB2 GLU A 37 11.222 6.155 -2.949 1.00 0.00 H new ATOM 0 HB3 GLU A 37 11.577 7.013 -1.462 1.00 0.00 H new ATOM 0 HG2 GLU A 37 11.084 4.412 -0.595 1.00 0.00 H new ATOM 0 HG3 GLU A 37 11.914 4.176 -2.120 1.00 0.00 H new ATOM 605 N ALA A 38 8.697 7.330 -3.477 1.00 0.00 N ATOM 606 CA ALA A 38 8.088 8.421 -4.219 1.00 0.00 C ATOM 607 C ALA A 38 6.732 8.740 -3.622 1.00 0.00 C ATOM 608 O ALA A 38 6.332 9.899 -3.525 1.00 0.00 O ATOM 609 CB ALA A 38 7.959 8.065 -5.692 1.00 0.00 C ATOM 0 H ALA A 38 8.868 6.489 -4.028 1.00 0.00 H new ATOM 0 HA ALA A 38 8.726 9.302 -4.146 1.00 0.00 H new ATOM 0 HB1 ALA A 38 7.501 8.896 -6.228 1.00 0.00 H new ATOM 0 HB2 ALA A 38 8.948 7.867 -6.106 1.00 0.00 H new ATOM 0 HB3 ALA A 38 7.336 7.177 -5.798 1.00 0.00 H new ATOM 615 N ALA A 39 6.049 7.691 -3.186 1.00 0.00 N ATOM 616 CA ALA A 39 4.746 7.824 -2.555 1.00 0.00 C ATOM 617 C ALA A 39 4.814 8.841 -1.429 1.00 0.00 C ATOM 618 O ALA A 39 3.813 9.459 -1.068 1.00 0.00 O ATOM 619 CB ALA A 39 4.290 6.477 -2.008 1.00 0.00 C ATOM 0 H ALA A 39 6.381 6.729 -3.260 1.00 0.00 H new ATOM 0 HA ALA A 39 4.028 8.166 -3.300 1.00 0.00 H new ATOM 0 HB1 ALA A 39 3.313 6.587 -1.537 1.00 0.00 H new ATOM 0 HB2 ALA A 39 4.221 5.758 -2.824 1.00 0.00 H new ATOM 0 HB3 ALA A 39 5.010 6.121 -1.271 1.00 0.00 H new ATOM 625 N VAL A 40 6.008 8.989 -0.865 1.00 0.00 N ATOM 626 CA VAL A 40 6.220 9.904 0.234 1.00 0.00 C ATOM 627 C VAL A 40 6.825 11.223 -0.238 1.00 0.00 C ATOM 628 O VAL A 40 6.205 12.280 -0.114 1.00 0.00 O ATOM 629 CB VAL A 40 7.142 9.260 1.289 1.00 0.00 C ATOM 630 CG1 VAL A 40 7.377 10.187 2.468 1.00 0.00 C ATOM 631 CG2 VAL A 40 6.566 7.931 1.753 1.00 0.00 C ATOM 0 H VAL A 40 6.843 8.481 -1.158 1.00 0.00 H new ATOM 0 HA VAL A 40 5.247 10.118 0.676 1.00 0.00 H new ATOM 0 HB VAL A 40 8.109 9.078 0.821 1.00 0.00 H new ATOM 0 HG11 VAL A 40 8.031 9.698 3.190 1.00 0.00 H new ATOM 0 HG12 VAL A 40 7.845 11.108 2.119 1.00 0.00 H new ATOM 0 HG13 VAL A 40 6.424 10.421 2.942 1.00 0.00 H new ATOM 0 HG21 VAL A 40 7.227 7.488 2.498 1.00 0.00 H new ATOM 0 HG22 VAL A 40 5.582 8.095 2.193 1.00 0.00 H new ATOM 0 HG23 VAL A 40 6.475 7.257 0.901 1.00 0.00 H new ATOM 641 N ARG A 41 8.042 11.158 -0.769 1.00 0.00 N ATOM 642 CA ARG A 41 8.738 12.350 -1.249 1.00 0.00 C ATOM 643 C ARG A 41 9.209 13.218 -0.080 1.00 0.00 C ATOM 644 O ARG A 41 9.580 14.377 -0.265 1.00 0.00 O ATOM 645 CB ARG A 41 7.833 13.164 -2.174 1.00 0.00 C ATOM 646 CG ARG A 41 8.581 14.178 -3.027 1.00 0.00 C ATOM 647 CD ARG A 41 9.581 13.503 -3.955 1.00 0.00 C ATOM 648 NE ARG A 41 9.313 13.804 -5.360 1.00 0.00 N ATOM 649 CZ ARG A 41 8.434 13.140 -6.109 1.00 0.00 C ATOM 650 NH1 ARG A 41 7.731 12.140 -5.594 1.00 0.00 N ATOM 651 NH2 ARG A 41 8.257 13.480 -7.378 1.00 0.00 N ATOM 0 H ARG A 41 8.569 10.291 -0.878 1.00 0.00 H new ATOM 0 HA ARG A 41 9.613 12.023 -1.810 1.00 0.00 H new ATOM 0 HB2 ARG A 41 7.290 12.482 -2.829 1.00 0.00 H new ATOM 0 HB3 ARG A 41 7.090 13.687 -1.572 1.00 0.00 H new ATOM 0 HG2 ARG A 41 7.868 14.754 -3.617 1.00 0.00 H new ATOM 0 HG3 ARG A 41 9.103 14.883 -2.380 1.00 0.00 H new ATOM 0 HD2 ARG A 41 10.589 13.829 -3.700 1.00 0.00 H new ATOM 0 HD3 ARG A 41 9.547 12.424 -3.802 1.00 0.00 H new ATOM 0 HE ARG A 41 9.830 14.569 -5.793 1.00 0.00 H new ATOM 0 HH11 ARG A 41 7.861 11.875 -4.618 1.00 0.00 H new ATOM 0 HH12 ARG A 41 7.060 11.637 -6.174 1.00 0.00 H new ATOM 0 HH21 ARG A 41 8.793 14.249 -7.780 1.00 0.00 H new ATOM 0 HH22 ARG A 41 7.584 12.973 -7.953 1.00 0.00 H new ATOM 665 N ARG A 42 9.198 12.645 1.122 1.00 0.00 N ATOM 666 CA ARG A 42 9.627 13.360 2.320 1.00 0.00 C ATOM 667 C ARG A 42 11.136 13.213 2.510 1.00 0.00 C ATOM 668 O ARG A 42 11.778 12.423 1.817 1.00 0.00 O ATOM 669 CB ARG A 42 8.884 12.813 3.547 1.00 0.00 C ATOM 670 CG ARG A 42 8.804 13.780 4.722 1.00 0.00 C ATOM 671 CD ARG A 42 7.501 14.562 4.714 1.00 0.00 C ATOM 672 NE ARG A 42 7.617 15.822 5.443 1.00 0.00 N ATOM 673 CZ ARG A 42 7.708 15.905 6.769 1.00 0.00 C ATOM 674 NH1 ARG A 42 7.694 14.806 7.513 1.00 0.00 N ATOM 675 NH2 ARG A 42 7.813 17.092 7.352 1.00 0.00 N ATOM 0 H ARG A 42 8.896 11.686 1.291 1.00 0.00 H new ATOM 0 HA ARG A 42 9.392 14.418 2.205 1.00 0.00 H new ATOM 0 HB2 ARG A 42 7.872 12.538 3.250 1.00 0.00 H new ATOM 0 HB3 ARG A 42 9.379 11.900 3.878 1.00 0.00 H new ATOM 0 HG2 ARG A 42 8.891 13.226 5.657 1.00 0.00 H new ATOM 0 HG3 ARG A 42 9.645 14.472 4.682 1.00 0.00 H new ATOM 0 HD2 ARG A 42 7.205 14.764 3.685 1.00 0.00 H new ATOM 0 HD3 ARG A 42 6.712 13.956 5.159 1.00 0.00 H new ATOM 0 HE ARG A 42 7.629 16.689 4.905 1.00 0.00 H new ATOM 0 HH11 ARG A 42 7.613 13.891 7.070 1.00 0.00 H new ATOM 0 HH12 ARG A 42 7.764 14.876 8.528 1.00 0.00 H new ATOM 0 HH21 ARG A 42 7.824 17.940 6.785 1.00 0.00 H new ATOM 0 HH22 ARG A 42 7.883 17.157 8.368 1.00 0.00 H new ATOM 689 N LYS A 43 11.697 13.976 3.447 1.00 0.00 N ATOM 690 CA LYS A 43 13.131 13.930 3.727 1.00 0.00 C ATOM 691 C LYS A 43 13.651 12.494 3.729 1.00 0.00 C ATOM 692 O LYS A 43 14.600 12.168 3.016 1.00 0.00 O ATOM 693 CB LYS A 43 13.422 14.592 5.076 1.00 0.00 C ATOM 694 CG LYS A 43 13.279 16.107 5.054 1.00 0.00 C ATOM 695 CD LYS A 43 12.328 16.600 6.137 1.00 0.00 C ATOM 696 CE LYS A 43 11.092 17.254 5.540 1.00 0.00 C ATOM 697 NZ LYS A 43 11.369 18.639 5.071 1.00 0.00 N ATOM 0 H LYS A 43 11.178 14.635 4.027 1.00 0.00 H new ATOM 0 HA LYS A 43 13.646 14.475 2.936 1.00 0.00 H new ATOM 0 HB2 LYS A 43 12.745 14.182 5.826 1.00 0.00 H new ATOM 0 HB3 LYS A 43 14.435 14.335 5.386 1.00 0.00 H new ATOM 0 HG2 LYS A 43 14.258 16.567 5.192 1.00 0.00 H new ATOM 0 HG3 LYS A 43 12.913 16.424 4.077 1.00 0.00 H new ATOM 0 HD2 LYS A 43 12.029 15.763 6.768 1.00 0.00 H new ATOM 0 HD3 LYS A 43 12.845 17.314 6.778 1.00 0.00 H new ATOM 0 HE2 LYS A 43 10.731 16.653 4.705 1.00 0.00 H new ATOM 0 HE3 LYS A 43 10.297 17.275 6.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 10.502 19.050 4.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 11.689 19.219 5.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 12.110 18.617 4.342 1.00 0.00 H new ATOM 711 N ASN A 44 13.018 11.637 4.528 1.00 0.00 N ATOM 712 CA ASN A 44 13.414 10.235 4.614 1.00 0.00 C ATOM 713 C ASN A 44 12.320 9.393 5.274 1.00 0.00 C ATOM 714 O ASN A 44 12.474 8.965 6.417 1.00 0.00 O ATOM 715 CB ASN A 44 14.718 10.091 5.400 1.00 0.00 C ATOM 716 CG ASN A 44 15.942 10.359 4.547 1.00 0.00 C ATOM 717 OD1 ASN A 44 15.938 10.107 3.341 1.00 0.00 O ATOM 718 ND2 ASN A 44 16.998 10.870 5.168 1.00 0.00 N ATOM 0 H ASN A 44 12.230 11.890 5.124 1.00 0.00 H new ATOM 0 HA ASN A 44 13.567 9.872 3.598 1.00 0.00 H new ATOM 0 HB2 ASN A 44 14.708 10.782 6.243 1.00 0.00 H new ATOM 0 HB3 ASN A 44 14.780 9.084 5.813 1.00 0.00 H new ATOM 0 HD21 ASN A 44 17.850 11.070 4.644 1.00 0.00 H new ATOM 0 HD22 ASN A 44 16.957 11.063 6.169 1.00 0.00 H new ATOM 725 N PHE A 45 11.220 9.161 4.541 1.00 0.00 N ATOM 726 CA PHE A 45 10.080 8.368 5.024 1.00 0.00 C ATOM 727 C PHE A 45 10.469 7.382 6.129 1.00 0.00 C ATOM 728 O PHE A 45 10.722 6.207 5.869 1.00 0.00 O ATOM 729 CB PHE A 45 9.445 7.599 3.851 1.00 0.00 C ATOM 730 CG PHE A 45 10.347 6.553 3.231 1.00 0.00 C ATOM 731 CD1 PHE A 45 11.723 6.576 3.435 1.00 0.00 C ATOM 732 CD2 PHE A 45 9.815 5.545 2.439 1.00 0.00 C ATOM 733 CE1 PHE A 45 12.540 5.620 2.867 1.00 0.00 C ATOM 734 CE2 PHE A 45 10.632 4.586 1.869 1.00 0.00 C ATOM 735 CZ PHE A 45 11.995 4.624 2.083 1.00 0.00 C ATOM 0 H PHE A 45 11.096 9.519 3.594 1.00 0.00 H new ATOM 0 HA PHE A 45 9.364 9.069 5.452 1.00 0.00 H new ATOM 0 HB2 PHE A 45 8.533 7.115 4.200 1.00 0.00 H new ATOM 0 HB3 PHE A 45 9.152 8.312 3.080 1.00 0.00 H new ATOM 0 HD1 PHE A 45 12.158 7.353 4.046 1.00 0.00 H new ATOM 0 HD2 PHE A 45 8.750 5.509 2.266 1.00 0.00 H new ATOM 0 HE1 PHE A 45 13.606 5.651 3.036 1.00 0.00 H new ATOM 0 HE2 PHE A 45 10.203 3.807 1.256 1.00 0.00 H new ATOM 0 HZ PHE A 45 12.634 3.876 1.638 1.00 0.00 H new ATOM 745 N LYS A 46 10.506 7.869 7.365 1.00 0.00 N ATOM 746 CA LYS A 46 10.861 7.028 8.505 1.00 0.00 C ATOM 747 C LYS A 46 9.781 5.970 8.751 1.00 0.00 C ATOM 748 O LYS A 46 8.670 6.293 9.169 1.00 0.00 O ATOM 749 CB LYS A 46 11.061 7.890 9.760 1.00 0.00 C ATOM 750 CG LYS A 46 11.706 7.157 10.932 1.00 0.00 C ATOM 751 CD LYS A 46 11.972 8.101 12.094 1.00 0.00 C ATOM 752 CE LYS A 46 13.418 8.570 12.108 1.00 0.00 C ATOM 753 NZ LYS A 46 14.375 7.432 12.029 1.00 0.00 N ATOM 0 H LYS A 46 10.295 8.838 7.604 1.00 0.00 H new ATOM 0 HA LYS A 46 11.797 6.517 8.279 1.00 0.00 H new ATOM 0 HB2 LYS A 46 11.679 8.750 9.501 1.00 0.00 H new ATOM 0 HB3 LYS A 46 10.093 8.277 10.078 1.00 0.00 H new ATOM 0 HG2 LYS A 46 11.055 6.347 11.260 1.00 0.00 H new ATOM 0 HG3 LYS A 46 12.642 6.702 10.609 1.00 0.00 H new ATOM 0 HD2 LYS A 46 11.309 8.963 12.023 1.00 0.00 H new ATOM 0 HD3 LYS A 46 11.742 7.598 13.033 1.00 0.00 H new ATOM 0 HE2 LYS A 46 13.588 9.245 11.270 1.00 0.00 H new ATOM 0 HE3 LYS A 46 13.606 9.139 13.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 15.233 7.662 12.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 13.933 6.579 12.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 14.628 7.259 11.035 1.00 0.00 H new ATOM 767 N PRO A 47 10.091 4.687 8.469 1.00 0.00 N ATOM 768 CA PRO A 47 9.147 3.562 8.629 1.00 0.00 C ATOM 769 C PRO A 47 8.587 3.388 10.044 1.00 0.00 C ATOM 770 O PRO A 47 7.798 2.476 10.293 1.00 0.00 O ATOM 771 CB PRO A 47 9.998 2.351 8.253 1.00 0.00 C ATOM 772 CG PRO A 47 10.952 2.917 7.290 1.00 0.00 C ATOM 773 CD PRO A 47 11.377 4.208 7.934 1.00 0.00 C ATOM 0 HA PRO A 47 8.257 3.717 8.019 1.00 0.00 H new ATOM 0 HB2 PRO A 47 10.502 1.925 9.120 1.00 0.00 H new ATOM 0 HB3 PRO A 47 9.398 1.556 7.810 1.00 0.00 H new ATOM 0 HG2 PRO A 47 11.800 2.252 7.127 1.00 0.00 H new ATOM 0 HG3 PRO A 47 10.488 3.087 6.318 1.00 0.00 H new ATOM 0 HD2 PRO A 47 12.119 4.054 8.718 1.00 0.00 H new ATOM 0 HD3 PRO A 47 11.811 4.904 7.216 1.00 0.00 H new ATOM 781 N THR A 48 8.999 4.243 10.970 1.00 0.00 N ATOM 782 CA THR A 48 8.537 4.155 12.352 1.00 0.00 C ATOM 783 C THR A 48 7.017 4.287 12.433 1.00 0.00 C ATOM 784 O THR A 48 6.332 3.401 12.944 1.00 0.00 O ATOM 785 CB THR A 48 9.199 5.250 13.195 1.00 0.00 C ATOM 786 OG1 THR A 48 8.697 5.240 14.520 1.00 0.00 O ATOM 787 CG2 THR A 48 8.981 6.636 12.629 1.00 0.00 C ATOM 0 H THR A 48 9.652 5.006 10.791 1.00 0.00 H new ATOM 0 HA THR A 48 8.817 3.176 12.742 1.00 0.00 H new ATOM 0 HB THR A 48 10.266 5.027 13.183 1.00 0.00 H new ATOM 0 HG1 THR A 48 9.134 5.946 15.041 1.00 0.00 H new ATOM 0 HG21 THR A 48 9.472 7.371 13.267 1.00 0.00 H new ATOM 0 HG22 THR A 48 9.401 6.689 11.625 1.00 0.00 H new ATOM 0 HG23 THR A 48 7.913 6.848 12.587 1.00 0.00 H new ATOM 795 N LYS A 49 6.500 5.397 11.923 1.00 0.00 N ATOM 796 CA LYS A 49 5.066 5.656 11.927 1.00 0.00 C ATOM 797 C LYS A 49 4.571 5.917 10.506 1.00 0.00 C ATOM 798 O LYS A 49 3.395 5.718 10.202 1.00 0.00 O ATOM 799 CB LYS A 49 4.748 6.858 12.818 1.00 0.00 C ATOM 800 CG LYS A 49 5.392 6.782 14.193 1.00 0.00 C ATOM 801 CD LYS A 49 4.654 7.640 15.212 1.00 0.00 C ATOM 802 CE LYS A 49 4.469 9.072 14.728 1.00 0.00 C ATOM 803 NZ LYS A 49 3.367 9.184 13.731 1.00 0.00 N ATOM 0 H LYS A 49 7.057 6.138 11.498 1.00 0.00 H new ATOM 0 HA LYS A 49 4.556 4.778 12.323 1.00 0.00 H new ATOM 0 HB2 LYS A 49 5.082 7.768 12.319 1.00 0.00 H new ATOM 0 HB3 LYS A 49 3.667 6.937 12.936 1.00 0.00 H new ATOM 0 HG2 LYS A 49 5.405 5.746 14.532 1.00 0.00 H new ATOM 0 HG3 LYS A 49 6.430 7.108 14.127 1.00 0.00 H new ATOM 0 HD2 LYS A 49 3.679 7.199 15.419 1.00 0.00 H new ATOM 0 HD3 LYS A 49 5.208 7.644 16.151 1.00 0.00 H new ATOM 0 HE2 LYS A 49 4.255 9.718 15.579 1.00 0.00 H new ATOM 0 HE3 LYS A 49 5.398 9.428 14.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 2.877 10.093 13.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 3.762 9.132 12.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 2.692 8.405 13.871 1.00 0.00 H new ATOM 817 N TYR A 50 5.478 6.372 9.642 1.00 0.00 N ATOM 818 CA TYR A 50 5.138 6.669 8.261 1.00 0.00 C ATOM 819 C TYR A 50 5.054 5.401 7.413 1.00 0.00 C ATOM 820 O TYR A 50 4.446 5.420 6.347 1.00 0.00 O ATOM 821 CB TYR A 50 6.152 7.641 7.657 1.00 0.00 C ATOM 822 CG TYR A 50 6.054 9.040 8.226 1.00 0.00 C ATOM 823 CD1 TYR A 50 4.819 9.654 8.394 1.00 0.00 C ATOM 824 CD2 TYR A 50 7.193 9.746 8.594 1.00 0.00 C ATOM 825 CE1 TYR A 50 4.721 10.930 8.914 1.00 0.00 C ATOM 826 CE2 TYR A 50 7.104 11.023 9.114 1.00 0.00 C ATOM 827 CZ TYR A 50 5.865 11.610 9.273 1.00 0.00 C ATOM 828 OH TYR A 50 5.772 12.882 9.791 1.00 0.00 O ATOM 0 H TYR A 50 6.455 6.542 9.880 1.00 0.00 H new ATOM 0 HA TYR A 50 4.153 7.135 8.261 1.00 0.00 H new ATOM 0 HB2 TYR A 50 7.158 7.257 7.826 1.00 0.00 H new ATOM 0 HB3 TYR A 50 6.005 7.684 6.578 1.00 0.00 H new ATOM 0 HD1 TYR A 50 3.920 9.125 8.113 1.00 0.00 H new ATOM 0 HD2 TYR A 50 8.164 9.289 8.472 1.00 0.00 H new ATOM 0 HE1 TYR A 50 3.753 11.392 9.039 1.00 0.00 H new ATOM 0 HE2 TYR A 50 7.999 11.559 9.394 1.00 0.00 H new ATOM 0 HH TYR A 50 6.670 13.219 9.993 1.00 0.00 H new ATOM 838 N SER A 51 5.673 4.307 7.879 1.00 0.00 N ATOM 839 CA SER A 51 5.661 3.033 7.140 1.00 0.00 C ATOM 840 C SER A 51 4.244 2.616 6.727 1.00 0.00 C ATOM 841 O SER A 51 3.728 1.600 7.194 1.00 0.00 O ATOM 842 CB SER A 51 6.276 1.916 7.990 1.00 0.00 C ATOM 843 OG SER A 51 5.657 1.846 9.263 1.00 0.00 O ATOM 0 H SER A 51 6.186 4.277 8.760 1.00 0.00 H new ATOM 0 HA SER A 51 6.251 3.189 6.237 1.00 0.00 H new ATOM 0 HB2 SER A 51 6.167 0.961 7.476 1.00 0.00 H new ATOM 0 HB3 SER A 51 7.345 2.093 8.111 1.00 0.00 H new ATOM 0 HG SER A 51 6.329 1.986 9.962 1.00 0.00 H new ATOM 849 N SER A 52 3.622 3.392 5.847 1.00 0.00 N ATOM 850 CA SER A 52 2.277 3.087 5.372 1.00 0.00 C ATOM 851 C SER A 52 1.843 4.083 4.309 1.00 0.00 C ATOM 852 O SER A 52 2.345 5.203 4.250 1.00 0.00 O ATOM 853 CB SER A 52 1.280 3.084 6.531 1.00 0.00 C ATOM 854 OG SER A 52 1.193 4.364 7.134 1.00 0.00 O ATOM 0 H SER A 52 4.028 4.238 5.447 1.00 0.00 H new ATOM 0 HA SER A 52 2.295 2.092 4.928 1.00 0.00 H new ATOM 0 HB2 SER A 52 0.297 2.782 6.168 1.00 0.00 H new ATOM 0 HB3 SER A 52 1.585 2.348 7.275 1.00 0.00 H new ATOM 0 HG SER A 52 0.548 4.335 7.871 1.00 0.00 H new ATOM 860 N ILE A 53 0.921 3.660 3.461 1.00 0.00 N ATOM 861 CA ILE A 53 0.431 4.496 2.388 1.00 0.00 C ATOM 862 C ILE A 53 -1.088 4.379 2.307 1.00 0.00 C ATOM 863 O ILE A 53 -1.654 3.372 2.734 1.00 0.00 O ATOM 864 CB ILE A 53 1.048 4.026 1.055 1.00 0.00 C ATOM 865 CG1 ILE A 53 2.571 3.826 1.192 1.00 0.00 C ATOM 866 CG2 ILE A 53 0.717 4.968 -0.106 1.00 0.00 C ATOM 867 CD1 ILE A 53 3.393 5.096 1.186 1.00 0.00 C ATOM 0 H ILE A 53 0.496 2.734 3.499 1.00 0.00 H new ATOM 0 HA ILE A 53 0.708 5.533 2.577 1.00 0.00 H new ATOM 0 HB ILE A 53 0.596 3.063 0.817 1.00 0.00 H new ATOM 0 HG12 ILE A 53 2.768 3.289 2.120 1.00 0.00 H new ATOM 0 HG13 ILE A 53 2.912 3.188 0.376 1.00 0.00 H new ATOM 0 HG21 ILE A 53 1.175 4.592 -1.021 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -0.364 5.020 -0.236 1.00 0.00 H new ATOM 0 HG23 ILE A 53 1.104 5.963 0.111 1.00 0.00 H new ATOM 0 HD11 ILE A 53 4.449 4.846 1.287 1.00 0.00 H new ATOM 0 HD12 ILE A 53 3.234 5.628 0.248 1.00 0.00 H new ATOM 0 HD13 ILE A 53 3.089 5.730 2.018 1.00 0.00 H new ATOM 879 N CYS A 54 -1.751 5.391 1.761 1.00 0.00 N ATOM 880 CA CYS A 54 -3.198 5.349 1.642 1.00 0.00 C ATOM 881 C CYS A 54 -3.589 5.171 0.160 1.00 0.00 C ATOM 882 O CYS A 54 -2.834 5.565 -0.729 1.00 0.00 O ATOM 883 CB CYS A 54 -3.816 6.595 2.291 1.00 0.00 C ATOM 884 SG CYS A 54 -4.033 8.010 1.198 1.00 0.00 S ATOM 0 H CYS A 54 -1.315 6.239 1.399 1.00 0.00 H new ATOM 0 HA CYS A 54 -3.600 4.491 2.181 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -4.788 6.324 2.704 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -3.187 6.897 3.128 1.00 0.00 H new ATOM 0 HG CYS A 54 -2.870 8.434 0.800 1.00 0.00 H new ATOM 889 N SER A 55 -4.731 4.524 -0.108 1.00 0.00 N ATOM 890 CA SER A 55 -5.159 4.241 -1.484 1.00 0.00 C ATOM 891 C SER A 55 -5.205 5.475 -2.387 1.00 0.00 C ATOM 892 O SER A 55 -4.930 5.374 -3.582 1.00 0.00 O ATOM 893 CB SER A 55 -6.530 3.560 -1.484 1.00 0.00 C ATOM 894 OG SER A 55 -7.007 3.372 -0.165 1.00 0.00 O ATOM 0 H SER A 55 -5.374 4.187 0.609 1.00 0.00 H new ATOM 0 HA SER A 55 -4.400 3.578 -1.899 1.00 0.00 H new ATOM 0 HB2 SER A 55 -7.240 4.165 -2.048 1.00 0.00 H new ATOM 0 HB3 SER A 55 -6.461 2.597 -1.989 1.00 0.00 H new ATOM 0 HG SER A 55 -7.257 2.433 -0.038 1.00 0.00 H new ATOM 900 N GLU A 56 -5.578 6.623 -1.832 1.00 0.00 N ATOM 901 CA GLU A 56 -5.691 7.851 -2.585 1.00 0.00 C ATOM 902 C GLU A 56 -4.577 8.036 -3.625 1.00 0.00 C ATOM 903 O GLU A 56 -4.770 8.725 -4.626 1.00 0.00 O ATOM 904 CB GLU A 56 -5.705 9.012 -1.608 1.00 0.00 C ATOM 905 CG GLU A 56 -6.819 8.915 -0.589 1.00 0.00 C ATOM 906 CD GLU A 56 -7.280 10.273 -0.097 1.00 0.00 C ATOM 907 OE1 GLU A 56 -6.444 11.200 -0.044 1.00 0.00 O ATOM 908 OE2 GLU A 56 -8.476 10.411 0.236 1.00 0.00 O ATOM 0 H GLU A 56 -5.810 6.721 -0.843 1.00 0.00 H new ATOM 0 HA GLU A 56 -6.619 7.809 -3.155 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -4.748 9.054 -1.088 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -5.808 9.945 -2.162 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -7.664 8.386 -1.030 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -6.479 8.321 0.260 1.00 0.00 H new ATOM 915 N HIS A 57 -3.414 7.437 -3.382 1.00 0.00 N ATOM 916 CA HIS A 57 -2.283 7.566 -4.302 1.00 0.00 C ATOM 917 C HIS A 57 -2.184 6.373 -5.248 1.00 0.00 C ATOM 918 O HIS A 57 -1.729 6.510 -6.383 1.00 0.00 O ATOM 919 CB HIS A 57 -0.984 7.716 -3.499 1.00 0.00 C ATOM 920 CG HIS A 57 -1.141 8.637 -2.345 1.00 0.00 C ATOM 921 ND1 HIS A 57 -1.624 9.923 -2.457 1.00 0.00 N ATOM 922 CD2 HIS A 57 -0.952 8.412 -1.035 1.00 0.00 C ATOM 923 CE1 HIS A 57 -1.731 10.448 -1.242 1.00 0.00 C ATOM 924 NE2 HIS A 57 -1.330 9.543 -0.355 1.00 0.00 N ATOM 0 H HIS A 57 -3.229 6.860 -2.561 1.00 0.00 H new ATOM 0 HA HIS A 57 -2.442 8.454 -4.914 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -0.666 6.737 -3.140 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -0.195 8.087 -4.153 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -0.570 7.503 -0.594 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -2.084 11.443 -1.013 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -1.307 9.667 0.657 1.00 0.00 H new ATOM 932 N PHE A 58 -2.606 5.207 -4.777 1.00 0.00 N ATOM 933 CA PHE A 58 -2.556 4.000 -5.593 1.00 0.00 C ATOM 934 C PHE A 58 -3.625 4.043 -6.686 1.00 0.00 C ATOM 935 O PHE A 58 -4.575 4.821 -6.597 1.00 0.00 O ATOM 936 CB PHE A 58 -2.762 2.764 -4.719 1.00 0.00 C ATOM 937 CG PHE A 58 -1.522 2.363 -3.981 1.00 0.00 C ATOM 938 CD1 PHE A 58 -0.491 1.719 -4.641 1.00 0.00 C ATOM 939 CD2 PHE A 58 -1.382 2.642 -2.631 1.00 0.00 C ATOM 940 CE1 PHE A 58 0.658 1.358 -3.969 1.00 0.00 C ATOM 941 CE2 PHE A 58 -0.235 2.284 -1.955 1.00 0.00 C ATOM 942 CZ PHE A 58 0.786 1.639 -2.624 1.00 0.00 C ATOM 0 H PHE A 58 -2.985 5.071 -3.840 1.00 0.00 H new ATOM 0 HA PHE A 58 -1.575 3.947 -6.065 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -3.559 2.960 -4.002 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -3.092 1.934 -5.343 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -0.587 1.497 -5.693 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -2.179 3.145 -2.103 1.00 0.00 H new ATOM 0 HE1 PHE A 58 1.457 0.856 -4.495 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -0.135 2.508 -0.903 1.00 0.00 H new ATOM 0 HZ PHE A 58 1.684 1.355 -2.095 1.00 0.00 H new ATOM 952 N THR A 59 -3.480 3.205 -7.713 1.00 0.00 N ATOM 953 CA THR A 59 -4.460 3.169 -8.798 1.00 0.00 C ATOM 954 C THR A 59 -5.680 2.341 -8.400 1.00 0.00 C ATOM 955 O THR A 59 -5.561 1.303 -7.748 1.00 0.00 O ATOM 956 CB THR A 59 -3.864 2.591 -10.087 1.00 0.00 C ATOM 957 OG1 THR A 59 -3.170 1.386 -9.821 1.00 0.00 O ATOM 958 CG2 THR A 59 -2.906 3.521 -10.812 1.00 0.00 C ATOM 0 H THR A 59 -2.704 2.551 -7.816 1.00 0.00 H new ATOM 0 HA THR A 59 -4.760 4.200 -8.985 1.00 0.00 H new ATOM 0 HB THR A 59 -4.725 2.429 -10.736 1.00 0.00 H new ATOM 0 HG1 THR A 59 -2.667 1.116 -10.617 1.00 0.00 H new ATOM 0 HG21 THR A 59 -2.533 3.031 -11.711 1.00 0.00 H new ATOM 0 HG22 THR A 59 -3.428 4.437 -11.088 1.00 0.00 H new ATOM 0 HG23 THR A 59 -2.069 3.763 -10.157 1.00 0.00 H new ATOM 966 N PRO A 60 -6.871 2.801 -8.803 1.00 0.00 N ATOM 967 CA PRO A 60 -8.144 2.122 -8.512 1.00 0.00 C ATOM 968 C PRO A 60 -8.166 0.674 -8.999 1.00 0.00 C ATOM 969 O PRO A 60 -8.684 -0.213 -8.321 1.00 0.00 O ATOM 970 CB PRO A 60 -9.169 2.943 -9.304 1.00 0.00 C ATOM 971 CG PRO A 60 -8.543 4.270 -9.466 1.00 0.00 C ATOM 972 CD PRO A 60 -7.072 4.028 -9.587 1.00 0.00 C ATOM 0 HA PRO A 60 -8.333 2.071 -7.440 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -9.382 2.485 -10.270 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -10.116 3.015 -8.770 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -8.928 4.776 -10.351 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -8.763 4.911 -8.612 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -6.769 3.897 -10.626 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -6.492 4.861 -9.189 1.00 0.00 H new ATOM 980 N ASP A 61 -7.626 0.450 -10.194 1.00 0.00 N ATOM 981 CA ASP A 61 -7.606 -0.878 -10.797 1.00 0.00 C ATOM 982 C ASP A 61 -6.534 -1.783 -10.190 1.00 0.00 C ATOM 983 O ASP A 61 -6.497 -2.979 -10.475 1.00 0.00 O ATOM 984 CB ASP A 61 -7.389 -0.764 -12.306 1.00 0.00 C ATOM 985 CG ASP A 61 -7.613 -2.082 -13.022 1.00 0.00 C ATOM 986 OD1 ASP A 61 -6.713 -2.947 -12.970 1.00 0.00 O ATOM 987 OD2 ASP A 61 -8.688 -2.247 -13.637 1.00 0.00 O ATOM 0 H ASP A 61 -7.194 1.176 -10.766 1.00 0.00 H new ATOM 0 HA ASP A 61 -8.573 -1.336 -10.591 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -8.066 -0.013 -12.712 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -6.374 -0.416 -12.499 1.00 0.00 H new ATOM 992 N CYS A 62 -5.660 -1.219 -9.364 1.00 0.00 N ATOM 993 CA CYS A 62 -4.601 -1.995 -8.745 1.00 0.00 C ATOM 994 C CYS A 62 -4.968 -2.386 -7.317 1.00 0.00 C ATOM 995 O CYS A 62 -4.094 -2.675 -6.498 1.00 0.00 O ATOM 996 CB CYS A 62 -3.300 -1.199 -8.759 1.00 0.00 C ATOM 997 SG CYS A 62 -1.852 -2.153 -8.253 1.00 0.00 S ATOM 0 H CYS A 62 -5.666 -0.231 -9.111 1.00 0.00 H new ATOM 0 HA CYS A 62 -4.467 -2.912 -9.319 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -3.134 -0.811 -9.764 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -3.405 -0.339 -8.098 1.00 0.00 H new ATOM 0 HG CYS A 62 -2.145 -2.864 -7.205 1.00 0.00 H new ATOM 1003 N PHE A 63 -6.264 -2.405 -7.023 1.00 0.00 N ATOM 1004 CA PHE A 63 -6.735 -2.775 -5.697 1.00 0.00 C ATOM 1005 C PHE A 63 -7.186 -4.230 -5.691 1.00 0.00 C ATOM 1006 O PHE A 63 -8.222 -4.574 -5.120 1.00 0.00 O ATOM 1007 CB PHE A 63 -7.877 -1.857 -5.256 1.00 0.00 C ATOM 1008 CG PHE A 63 -7.438 -0.448 -4.965 1.00 0.00 C ATOM 1009 CD1 PHE A 63 -6.224 -0.198 -4.341 1.00 0.00 C ATOM 1010 CD2 PHE A 63 -8.238 0.627 -5.317 1.00 0.00 C ATOM 1011 CE1 PHE A 63 -5.819 1.095 -4.074 1.00 0.00 C ATOM 1012 CE2 PHE A 63 -7.837 1.923 -5.052 1.00 0.00 C ATOM 1013 CZ PHE A 63 -6.627 2.158 -4.430 1.00 0.00 C ATOM 0 H PHE A 63 -7.004 -2.169 -7.684 1.00 0.00 H new ATOM 0 HA PHE A 63 -5.914 -2.660 -4.990 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -8.638 -1.838 -6.036 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -8.344 -2.275 -4.364 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -5.588 -1.025 -4.061 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -9.186 0.450 -5.804 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -4.872 1.275 -3.587 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -8.470 2.752 -5.332 1.00 0.00 H new ATOM 0 HZ PHE A 63 -6.313 3.170 -4.222 1.00 0.00 H new ATOM 1164 N LEU A 72 -0.759 -5.333 -2.447 1.00 0.00 N ATOM 1165 CA LEU A 72 0.070 -4.445 -3.286 1.00 0.00 C ATOM 1166 C LEU A 72 1.173 -5.212 -4.027 1.00 0.00 C ATOM 1167 O LEU A 72 2.350 -5.143 -3.674 1.00 0.00 O ATOM 1168 CB LEU A 72 0.679 -3.339 -2.411 1.00 0.00 C ATOM 1169 CG LEU A 72 1.696 -3.825 -1.376 1.00 0.00 C ATOM 1170 CD1 LEU A 72 2.957 -2.975 -1.418 1.00 0.00 C ATOM 1171 CD2 LEU A 72 1.082 -3.810 0.016 1.00 0.00 C ATOM 0 HA LEU A 72 -0.573 -4.002 -4.046 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.162 -2.608 -3.059 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -0.127 -2.821 -1.892 1.00 0.00 H new ATOM 0 HG LEU A 72 1.973 -4.851 -1.620 1.00 0.00 H new ATOM 0 HD11 LEU A 72 3.666 -3.339 -0.674 1.00 0.00 H new ATOM 0 HD12 LEU A 72 3.406 -3.039 -2.409 1.00 0.00 H new ATOM 0 HD13 LEU A 72 2.704 -1.937 -1.201 1.00 0.00 H new ATOM 0 HD21 LEU A 72 1.817 -4.158 0.742 1.00 0.00 H new ATOM 0 HD22 LEU A 72 0.776 -2.795 0.268 1.00 0.00 H new ATOM 0 HD23 LEU A 72 0.212 -4.467 0.037 1.00 0.00 H new ATOM 1183 N LYS A 73 0.760 -5.959 -5.049 1.00 0.00 N ATOM 1184 CA LYS A 73 1.674 -6.773 -5.849 1.00 0.00 C ATOM 1185 C LYS A 73 2.632 -5.921 -6.669 1.00 0.00 C ATOM 1186 O LYS A 73 2.638 -4.695 -6.575 1.00 0.00 O ATOM 1187 CB LYS A 73 0.876 -7.692 -6.780 1.00 0.00 C ATOM 1188 CG LYS A 73 0.875 -9.145 -6.336 1.00 0.00 C ATOM 1189 CD LYS A 73 0.990 -10.091 -7.522 1.00 0.00 C ATOM 1190 CE LYS A 73 2.432 -10.242 -7.978 1.00 0.00 C ATOM 1191 NZ LYS A 73 2.666 -9.606 -9.304 1.00 0.00 N ATOM 0 H LYS A 73 -0.214 -6.017 -5.345 1.00 0.00 H new ATOM 0 HA LYS A 73 2.270 -7.369 -5.158 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -0.153 -7.336 -6.836 1.00 0.00 H new ATOM 0 HB3 LYS A 73 1.291 -7.627 -7.786 1.00 0.00 H new ATOM 0 HG2 LYS A 73 1.704 -9.317 -5.650 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -0.042 -9.358 -5.787 1.00 0.00 H new ATOM 0 HD2 LYS A 73 0.590 -11.068 -7.250 1.00 0.00 H new ATOM 0 HD3 LYS A 73 0.384 -9.717 -8.347 1.00 0.00 H new ATOM 0 HE2 LYS A 73 3.095 -9.793 -7.238 1.00 0.00 H new ATOM 0 HE3 LYS A 73 2.686 -11.301 -8.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 3.688 -9.504 -9.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 2.256 -10.201 -10.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 2.217 -8.668 -9.323 1.00 0.00 H new ATOM 1205 N GLU A 74 3.443 -6.600 -7.474 1.00 0.00 N ATOM 1206 CA GLU A 74 4.425 -5.938 -8.332 1.00 0.00 C ATOM 1207 C GLU A 74 3.795 -4.765 -9.072 1.00 0.00 C ATOM 1208 O GLU A 74 4.460 -3.774 -9.372 1.00 0.00 O ATOM 1209 CB GLU A 74 5.015 -6.932 -9.341 1.00 0.00 C ATOM 1210 CG GLU A 74 6.089 -7.854 -8.772 1.00 0.00 C ATOM 1211 CD GLU A 74 6.274 -9.107 -9.606 1.00 0.00 C ATOM 1212 OE1 GLU A 74 5.256 -9.706 -10.012 1.00 0.00 O ATOM 1213 OE2 GLU A 74 7.437 -9.489 -9.854 1.00 0.00 O ATOM 0 H GLU A 74 3.440 -7.617 -7.552 1.00 0.00 H new ATOM 0 HA GLU A 74 5.226 -5.560 -7.696 1.00 0.00 H new ATOM 0 HB2 GLU A 74 4.207 -7.543 -9.744 1.00 0.00 H new ATOM 0 HB3 GLU A 74 5.439 -6.374 -10.175 1.00 0.00 H new ATOM 0 HG2 GLU A 74 7.035 -7.315 -8.716 1.00 0.00 H new ATOM 0 HG3 GLU A 74 5.821 -8.135 -7.753 1.00 0.00 H new ATOM 1220 N ASN A 75 2.507 -4.881 -9.351 1.00 0.00 N ATOM 1221 CA ASN A 75 1.779 -3.826 -10.039 1.00 0.00 C ATOM 1222 C ASN A 75 1.676 -2.607 -9.143 1.00 0.00 C ATOM 1223 O ASN A 75 1.841 -1.469 -9.583 1.00 0.00 O ATOM 1224 CB ASN A 75 0.381 -4.309 -10.421 1.00 0.00 C ATOM 1225 CG ASN A 75 0.411 -5.374 -11.499 1.00 0.00 C ATOM 1226 OD1 ASN A 75 0.695 -5.088 -12.662 1.00 0.00 O ATOM 1227 ND2 ASN A 75 0.115 -6.609 -11.117 1.00 0.00 N ATOM 0 H ASN A 75 1.943 -5.696 -9.111 1.00 0.00 H new ATOM 0 HA ASN A 75 2.318 -3.561 -10.948 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -0.118 -4.705 -9.536 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -0.211 -3.462 -10.768 1.00 0.00 H new ATOM 0 HD21 ASN A 75 0.117 -7.368 -11.799 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -0.114 -6.800 -10.142 1.00 0.00 H new ATOM 1234 N ALA A 76 1.393 -2.873 -7.877 1.00 0.00 N ATOM 1235 CA ALA A 76 1.249 -1.842 -6.867 1.00 0.00 C ATOM 1236 C ALA A 76 2.262 -0.729 -7.035 1.00 0.00 C ATOM 1237 O ALA A 76 3.446 -0.977 -7.252 1.00 0.00 O ATOM 1238 CB ALA A 76 1.345 -2.444 -5.477 1.00 0.00 C ATOM 0 H ALA A 76 1.256 -3.819 -7.521 1.00 0.00 H new ATOM 0 HA ALA A 76 0.261 -1.400 -6.996 1.00 0.00 H new ATOM 0 HB1 ALA A 76 1.235 -1.657 -4.731 1.00 0.00 H new ATOM 0 HB2 ALA A 76 0.554 -3.182 -5.345 1.00 0.00 H new ATOM 0 HB3 ALA A 76 2.315 -2.926 -5.355 1.00 0.00 H new ATOM 1244 N VAL A 77 1.769 0.499 -6.944 1.00 0.00 N ATOM 1245 CA VAL A 77 2.599 1.679 -7.097 1.00 0.00 C ATOM 1246 C VAL A 77 1.780 2.935 -6.764 1.00 0.00 C ATOM 1247 O VAL A 77 0.603 3.018 -7.115 1.00 0.00 O ATOM 1248 CB VAL A 77 3.111 1.758 -8.556 1.00 0.00 C ATOM 1249 CG1 VAL A 77 3.372 3.195 -9.002 1.00 0.00 C ATOM 1250 CG2 VAL A 77 4.357 0.912 -8.741 1.00 0.00 C ATOM 0 H VAL A 77 0.786 0.701 -6.763 1.00 0.00 H new ATOM 0 HA VAL A 77 3.449 1.618 -6.417 1.00 0.00 H new ATOM 0 HB VAL A 77 2.318 1.360 -9.189 1.00 0.00 H new ATOM 0 HG11 VAL A 77 3.729 3.197 -10.032 1.00 0.00 H new ATOM 0 HG12 VAL A 77 2.448 3.770 -8.937 1.00 0.00 H new ATOM 0 HG13 VAL A 77 4.125 3.645 -8.356 1.00 0.00 H new ATOM 0 HG21 VAL A 77 4.696 0.985 -9.774 1.00 0.00 H new ATOM 0 HG22 VAL A 77 5.142 1.270 -8.075 1.00 0.00 H new ATOM 0 HG23 VAL A 77 4.129 -0.128 -8.507 1.00 0.00 H new ATOM 1260 N PRO A 78 2.384 3.932 -6.096 1.00 0.00 N ATOM 1261 CA PRO A 78 1.699 5.181 -5.739 1.00 0.00 C ATOM 1262 C PRO A 78 1.655 6.185 -6.892 1.00 0.00 C ATOM 1263 O PRO A 78 1.742 7.391 -6.667 1.00 0.00 O ATOM 1264 CB PRO A 78 2.561 5.720 -4.613 1.00 0.00 C ATOM 1265 CG PRO A 78 3.937 5.286 -4.979 1.00 0.00 C ATOM 1266 CD PRO A 78 3.786 3.937 -5.632 1.00 0.00 C ATOM 0 HA PRO A 78 0.655 5.014 -5.475 1.00 0.00 H new ATOM 0 HB2 PRO A 78 2.490 6.805 -4.540 1.00 0.00 H new ATOM 0 HB3 PRO A 78 2.257 5.315 -3.648 1.00 0.00 H new ATOM 0 HG2 PRO A 78 4.403 5.999 -5.659 1.00 0.00 H new ATOM 0 HG3 PRO A 78 4.574 5.224 -4.097 1.00 0.00 H new ATOM 0 HD2 PRO A 78 4.483 3.812 -6.461 1.00 0.00 H new ATOM 0 HD3 PRO A 78 3.979 3.127 -4.929 1.00 0.00 H new ATOM 1274 N THR A 79 1.540 5.662 -8.118 1.00 0.00 N ATOM 1275 CA THR A 79 1.496 6.457 -9.358 1.00 0.00 C ATOM 1276 C THR A 79 1.477 7.977 -9.140 1.00 0.00 C ATOM 1277 O THR A 79 2.286 8.695 -9.727 1.00 0.00 O ATOM 1278 CB THR A 79 0.282 6.041 -10.193 1.00 0.00 C ATOM 1279 OG1 THR A 79 0.357 6.593 -11.495 1.00 0.00 O ATOM 1280 CG2 THR A 79 -1.043 6.462 -9.593 1.00 0.00 C ATOM 0 H THR A 79 1.474 4.658 -8.283 1.00 0.00 H new ATOM 0 HA THR A 79 2.427 6.243 -9.884 1.00 0.00 H new ATOM 0 HB THR A 79 0.316 4.952 -10.219 1.00 0.00 H new ATOM 0 HG1 THR A 79 -0.426 6.315 -12.014 1.00 0.00 H new ATOM 0 HG21 THR A 79 -1.856 6.133 -10.240 1.00 0.00 H new ATOM 0 HG22 THR A 79 -1.157 6.009 -8.608 1.00 0.00 H new ATOM 0 HG23 THR A 79 -1.071 7.548 -9.499 1.00 0.00 H new ATOM 1288 N ILE A 80 0.543 8.466 -8.324 1.00 0.00 N ATOM 1289 CA ILE A 80 0.415 9.893 -8.069 1.00 0.00 C ATOM 1290 C ILE A 80 1.771 10.590 -7.916 1.00 0.00 C ATOM 1291 O ILE A 80 2.046 11.575 -8.601 1.00 0.00 O ATOM 1292 CB ILE A 80 -0.469 10.163 -6.845 1.00 0.00 C ATOM 1293 CG1 ILE A 80 -1.913 10.213 -7.316 1.00 0.00 C ATOM 1294 CG2 ILE A 80 -0.086 11.467 -6.148 1.00 0.00 C ATOM 1295 CD1 ILE A 80 -2.896 10.485 -6.217 1.00 0.00 C ATOM 0 H ILE A 80 -0.137 7.889 -7.829 1.00 0.00 H new ATOM 0 HA ILE A 80 -0.068 10.319 -8.949 1.00 0.00 H new ATOM 0 HB ILE A 80 -0.331 9.366 -6.114 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -2.011 10.986 -8.078 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -2.164 9.264 -7.790 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -0.735 11.623 -5.286 1.00 0.00 H new ATOM 0 HG22 ILE A 80 0.951 11.411 -5.816 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -0.200 12.298 -6.843 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -3.905 10.506 -6.628 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -2.827 9.699 -5.465 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -2.671 11.448 -5.758 1.00 0.00 H new ATOM 1307 N PHE A 81 2.616 10.079 -7.023 1.00 0.00 N ATOM 1308 CA PHE A 81 3.926 10.665 -6.807 1.00 0.00 C ATOM 1309 C PHE A 81 4.902 10.222 -7.893 1.00 0.00 C ATOM 1310 O PHE A 81 5.851 10.934 -8.218 1.00 0.00 O ATOM 1311 CB PHE A 81 4.483 10.306 -5.422 1.00 0.00 C ATOM 1312 CG PHE A 81 3.628 10.761 -4.276 1.00 0.00 C ATOM 1313 CD1 PHE A 81 2.341 10.276 -4.121 1.00 0.00 C ATOM 1314 CD2 PHE A 81 4.118 11.661 -3.343 1.00 0.00 C ATOM 1315 CE1 PHE A 81 1.558 10.678 -3.061 1.00 0.00 C ATOM 1316 CE2 PHE A 81 3.339 12.065 -2.277 1.00 0.00 C ATOM 1317 CZ PHE A 81 2.056 11.572 -2.137 1.00 0.00 C ATOM 0 H PHE A 81 2.414 9.265 -6.443 1.00 0.00 H new ATOM 0 HA PHE A 81 3.810 11.748 -6.855 1.00 0.00 H new ATOM 0 HB2 PHE A 81 4.606 9.225 -5.362 1.00 0.00 H new ATOM 0 HB3 PHE A 81 5.475 10.746 -5.317 1.00 0.00 H new ATOM 0 HD1 PHE A 81 1.946 9.574 -4.840 1.00 0.00 H new ATOM 0 HD2 PHE A 81 5.120 12.050 -3.451 1.00 0.00 H new ATOM 0 HE1 PHE A 81 0.555 10.293 -2.954 1.00 0.00 H new ATOM 0 HE2 PHE A 81 3.732 12.765 -1.554 1.00 0.00 H new ATOM 0 HZ PHE A 81 1.444 11.887 -1.305 1.00 0.00 H new ATOM 1327 N LEU A 82 4.659 9.040 -8.451 1.00 0.00 N ATOM 1328 CA LEU A 82 5.510 8.496 -9.501 1.00 0.00 C ATOM 1329 C LEU A 82 5.273 9.230 -10.821 1.00 0.00 C ATOM 1330 O LEU A 82 4.144 9.310 -11.304 1.00 0.00 O ATOM 1331 CB LEU A 82 5.240 6.998 -9.668 1.00 0.00 C ATOM 1332 CG LEU A 82 6.169 6.257 -10.637 1.00 0.00 C ATOM 1333 CD1 LEU A 82 5.575 6.244 -12.035 1.00 0.00 C ATOM 1334 CD2 LEU A 82 7.560 6.882 -10.651 1.00 0.00 C ATOM 0 H LEU A 82 3.876 8.439 -8.191 1.00 0.00 H new ATOM 0 HA LEU A 82 6.552 8.638 -9.214 1.00 0.00 H new ATOM 0 HB2 LEU A 82 5.313 6.523 -8.689 1.00 0.00 H new ATOM 0 HB3 LEU A 82 4.213 6.869 -10.009 1.00 0.00 H new ATOM 0 HG LEU A 82 6.268 5.228 -10.291 1.00 0.00 H new ATOM 0 HD11 LEU A 82 6.247 5.714 -12.711 1.00 0.00 H new ATOM 0 HD12 LEU A 82 4.609 5.740 -12.015 1.00 0.00 H new ATOM 0 HD13 LEU A 82 5.443 7.268 -12.384 1.00 0.00 H new ATOM 0 HD21 LEU A 82 8.197 6.336 -11.347 1.00 0.00 H new ATOM 0 HD22 LEU A 82 7.488 7.923 -10.965 1.00 0.00 H new ATOM 0 HD23 LEU A 82 7.991 6.834 -9.651 1.00 0.00 H new