USER MOD reduce.3.24.130724 H: found=0, std=0, add=755, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 753 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+ -177:sc= 0 (180deg=-0.0159) 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 -64:sc= 0.0581 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.0482 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=-4.13e-07) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=-0.052) USER MOD Single : A 25 TYR OH : rot 30:sc= -0.173 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot -75:sc= 1.2 USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.0547 USER MOD Single : A 42 CYS SG : rot 73:sc= -0.12 USER MOD Single : A 43 MET CE :methyl -163:sc= -1.76 (180deg=-2.01) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 HIS : no HD1:sc= -0.128 K(o=-0.13,f=-3.2) USER MOD Single : A 47 LYS NZ :NH3+ -166:sc= -1.11 (180deg=-1.58) USER MOD Single : A 48 ASN : amide:sc= -0.651 K(o=-0.65,f=-4!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000894) USER MOD Single : A 55 TYR OH : rot 180:sc= -0.235 USER MOD Single : A 62 SER OG : rot 170:sc=-0.00527 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 HIS : no HD1:sc= -0.0164 X(o=-0.016,f=0) USER MOD Single : A 66 ASN : amide:sc= -10.3! C(o=-10!,f=-10!) USER MOD Single : A 68 GLN :FLIP amide:sc= -4.68! C(o=-6.5!,f=-4.7!) USER MOD Single : A 69 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.109) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 HIS : no HD1:sc= -0.534 X(o=-0.53,f=-0.91) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= -0.471 K(o=-0.47,f=-5.9!) USER MOD Single : A 86 LYS NZ :NH3+ 157:sc= -0.058 (180deg=-0.339) USER MOD Single : A 87 LYS NZ :NH3+ 170:sc= -1.74 (180deg=-2.08) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 22.638 -7.526 16.867 1.00 0.00 N ATOM 2 CA GLY A 1 22.848 -8.225 15.613 1.00 0.00 C ATOM 3 C GLY A 1 23.078 -7.277 14.452 1.00 0.00 C ATOM 4 O GLY A 1 23.963 -7.500 13.626 1.00 0.00 O ATOM 0 H1 GLY A 1 22.536 -8.218 17.637 1.00 0.00 H new ATOM 0 H2 GLY A 1 23.452 -6.909 17.061 1.00 0.00 H new ATOM 0 H3 GLY A 1 21.775 -6.950 16.803 1.00 0.00 H new ATOM 0 HA2 GLY A 1 23.706 -8.890 15.711 1.00 0.00 H new ATOM 0 HA3 GLY A 1 21.982 -8.852 15.400 1.00 0.00 H new ATOM 8 N SER A 2 22.279 -6.217 14.389 1.00 0.00 N ATOM 9 CA SER A 2 22.397 -5.234 13.318 1.00 0.00 C ATOM 10 C SER A 2 22.183 -3.821 13.851 1.00 0.00 C ATOM 11 O SER A 2 21.440 -3.613 14.811 1.00 0.00 O ATOM 12 CB SER A 2 21.384 -5.532 12.211 1.00 0.00 C ATOM 13 OG SER A 2 20.063 -5.251 12.639 1.00 0.00 O ATOM 0 H SER A 2 21.543 -6.017 15.066 1.00 0.00 H new ATOM 0 HA SER A 2 23.404 -5.300 12.907 1.00 0.00 H new ATOM 0 HB2 SER A 2 21.618 -4.936 11.329 1.00 0.00 H new ATOM 0 HB3 SER A 2 21.459 -6.579 11.917 1.00 0.00 H new ATOM 0 HG SER A 2 19.435 -5.448 11.913 1.00 0.00 H new ATOM 19 N SER A 3 22.840 -2.852 13.222 1.00 0.00 N ATOM 20 CA SER A 3 22.726 -1.458 13.635 1.00 0.00 C ATOM 21 C SER A 3 21.396 -0.864 13.180 1.00 0.00 C ATOM 22 O SER A 3 20.806 -1.313 12.199 1.00 0.00 O ATOM 23 CB SER A 3 23.885 -0.639 13.065 1.00 0.00 C ATOM 24 OG SER A 3 23.955 0.639 13.674 1.00 0.00 O ATOM 0 H SER A 3 23.457 -3.006 12.424 1.00 0.00 H new ATOM 0 HA SER A 3 22.767 -1.423 14.724 1.00 0.00 H new ATOM 0 HB2 SER A 3 24.823 -1.172 13.222 1.00 0.00 H new ATOM 0 HB3 SER A 3 23.759 -0.526 11.988 1.00 0.00 H new ATOM 0 HG SER A 3 24.705 1.142 13.293 1.00 0.00 H new ATOM 30 N GLY A 4 20.930 0.150 13.903 1.00 0.00 N ATOM 31 CA GLY A 4 19.674 0.790 13.560 1.00 0.00 C ATOM 32 C GLY A 4 19.600 2.223 14.049 1.00 0.00 C ATOM 33 O GLY A 4 20.570 2.751 14.593 1.00 0.00 O ATOM 0 H GLY A 4 21.400 0.539 14.720 1.00 0.00 H new ATOM 0 HA2 GLY A 4 19.544 0.772 12.478 1.00 0.00 H new ATOM 0 HA3 GLY A 4 18.850 0.220 13.990 1.00 0.00 H new ATOM 37 N SER A 5 18.447 2.855 13.853 1.00 0.00 N ATOM 38 CA SER A 5 18.253 4.238 14.274 1.00 0.00 C ATOM 39 C SER A 5 17.054 4.357 15.210 1.00 0.00 C ATOM 40 O SER A 5 16.040 3.685 15.027 1.00 0.00 O ATOM 41 CB SER A 5 18.053 5.140 13.055 1.00 0.00 C ATOM 42 OG SER A 5 17.857 6.488 13.445 1.00 0.00 O ATOM 0 H SER A 5 17.634 2.432 13.406 1.00 0.00 H new ATOM 0 HA SER A 5 19.146 4.557 14.812 1.00 0.00 H new ATOM 0 HB2 SER A 5 18.922 5.070 12.401 1.00 0.00 H new ATOM 0 HB3 SER A 5 17.193 4.795 12.481 1.00 0.00 H new ATOM 0 HG SER A 5 17.733 7.044 12.648 1.00 0.00 H new ATOM 48 N SER A 6 17.180 5.219 16.215 1.00 0.00 N ATOM 49 CA SER A 6 16.110 5.425 17.183 1.00 0.00 C ATOM 50 C SER A 6 15.801 6.910 17.344 1.00 0.00 C ATOM 51 O SER A 6 16.011 7.488 18.410 1.00 0.00 O ATOM 52 CB SER A 6 16.495 4.823 18.536 1.00 0.00 C ATOM 53 OG SER A 6 15.418 4.901 19.454 1.00 0.00 O ATOM 0 H SER A 6 18.012 5.785 16.379 1.00 0.00 H new ATOM 0 HA SER A 6 15.216 4.924 16.811 1.00 0.00 H new ATOM 0 HB2 SER A 6 16.790 3.782 18.404 1.00 0.00 H new ATOM 0 HB3 SER A 6 17.360 5.350 18.939 1.00 0.00 H new ATOM 0 HG SER A 6 15.211 5.841 19.636 1.00 0.00 H new ATOM 59 N GLY A 7 15.300 7.523 16.276 1.00 0.00 N ATOM 60 CA GLY A 7 14.969 8.935 16.317 1.00 0.00 C ATOM 61 C GLY A 7 13.628 9.237 15.679 1.00 0.00 C ATOM 62 O GLY A 7 12.597 9.226 16.351 1.00 0.00 O ATOM 0 H GLY A 7 15.117 7.066 15.382 1.00 0.00 H new ATOM 0 HA2 GLY A 7 14.958 9.272 17.353 1.00 0.00 H new ATOM 0 HA3 GLY A 7 15.747 9.502 15.805 1.00 0.00 H new ATOM 66 N TYR A 8 13.641 9.507 14.379 1.00 0.00 N ATOM 67 CA TYR A 8 12.417 9.817 13.650 1.00 0.00 C ATOM 68 C TYR A 8 11.834 8.562 13.007 1.00 0.00 C ATOM 69 O TYR A 8 10.856 8.630 12.261 1.00 0.00 O ATOM 70 CB TYR A 8 12.690 10.873 12.578 1.00 0.00 C ATOM 71 CG TYR A 8 13.832 10.517 11.654 1.00 0.00 C ATOM 72 CD1 TYR A 8 13.712 9.480 10.737 1.00 0.00 C ATOM 73 CD2 TYR A 8 15.032 11.217 11.698 1.00 0.00 C ATOM 74 CE1 TYR A 8 14.753 9.150 9.891 1.00 0.00 C ATOM 75 CE2 TYR A 8 16.077 10.895 10.854 1.00 0.00 C ATOM 76 CZ TYR A 8 15.933 9.861 9.953 1.00 0.00 C ATOM 77 OH TYR A 8 16.973 9.537 9.112 1.00 0.00 O ATOM 0 H TYR A 8 14.486 9.518 13.808 1.00 0.00 H new ATOM 0 HA TYR A 8 11.691 10.211 14.361 1.00 0.00 H new ATOM 0 HB2 TYR A 8 11.787 11.019 11.986 1.00 0.00 H new ATOM 0 HB3 TYR A 8 12.910 11.824 13.064 1.00 0.00 H new ATOM 0 HD1 TYR A 8 12.789 8.922 10.685 1.00 0.00 H new ATOM 0 HD2 TYR A 8 15.149 12.026 12.404 1.00 0.00 H new ATOM 0 HE1 TYR A 8 14.643 8.340 9.185 1.00 0.00 H new ATOM 0 HE2 TYR A 8 17.002 11.450 10.900 1.00 0.00 H new ATOM 0 HH TYR A 8 17.731 10.135 9.283 1.00 0.00 H new ATOM 87 N LEU A 9 12.440 7.418 13.301 1.00 0.00 N ATOM 88 CA LEU A 9 11.982 6.146 12.753 1.00 0.00 C ATOM 89 C LEU A 9 10.553 5.847 13.193 1.00 0.00 C ATOM 90 O LEU A 9 10.329 5.198 14.216 1.00 0.00 O ATOM 91 CB LEU A 9 12.911 5.014 13.194 1.00 0.00 C ATOM 92 CG LEU A 9 12.962 3.791 12.278 1.00 0.00 C ATOM 93 CD1 LEU A 9 11.566 3.427 11.796 1.00 0.00 C ATOM 94 CD2 LEU A 9 13.885 4.048 11.096 1.00 0.00 C ATOM 0 H LEU A 9 13.250 7.344 13.916 1.00 0.00 H new ATOM 0 HA LEU A 9 12.000 6.219 11.666 1.00 0.00 H new ATOM 0 HB2 LEU A 9 13.920 5.415 13.288 1.00 0.00 H new ATOM 0 HB3 LEU A 9 12.605 4.686 14.187 1.00 0.00 H new ATOM 0 HG LEU A 9 13.359 2.951 12.848 1.00 0.00 H new ATOM 0 HD11 LEU A 9 11.622 2.554 11.145 1.00 0.00 H new ATOM 0 HD12 LEU A 9 10.933 3.200 12.654 1.00 0.00 H new ATOM 0 HD13 LEU A 9 11.142 4.265 11.243 1.00 0.00 H new ATOM 0 HD21 LEU A 9 13.909 3.167 10.455 1.00 0.00 H new ATOM 0 HD22 LEU A 9 13.518 4.901 10.526 1.00 0.00 H new ATOM 0 HD23 LEU A 9 14.891 4.260 11.459 1.00 0.00 H new ATOM 106 N LYS A 10 9.587 6.321 12.413 1.00 0.00 N ATOM 107 CA LYS A 10 8.179 6.102 12.719 1.00 0.00 C ATOM 108 C LYS A 10 7.685 4.797 12.103 1.00 0.00 C ATOM 109 O LYS A 10 8.361 4.199 11.265 1.00 0.00 O ATOM 110 CB LYS A 10 7.336 7.272 12.206 1.00 0.00 C ATOM 111 CG LYS A 10 6.070 7.509 13.012 1.00 0.00 C ATOM 112 CD LYS A 10 5.341 8.759 12.549 1.00 0.00 C ATOM 113 CE LYS A 10 6.004 10.021 13.080 1.00 0.00 C ATOM 114 NZ LYS A 10 5.503 10.381 14.436 1.00 0.00 N ATOM 0 H LYS A 10 9.754 6.860 11.563 1.00 0.00 H new ATOM 0 HA LYS A 10 8.075 6.035 13.802 1.00 0.00 H new ATOM 0 HB2 LYS A 10 7.941 8.179 12.220 1.00 0.00 H new ATOM 0 HB3 LYS A 10 7.066 7.086 11.167 1.00 0.00 H new ATOM 0 HG2 LYS A 10 5.411 6.646 12.918 1.00 0.00 H new ATOM 0 HG3 LYS A 10 6.322 7.604 14.068 1.00 0.00 H new ATOM 0 HD2 LYS A 10 5.322 8.788 11.460 1.00 0.00 H new ATOM 0 HD3 LYS A 10 4.305 8.722 12.885 1.00 0.00 H new ATOM 0 HE2 LYS A 10 7.084 9.876 13.118 1.00 0.00 H new ATOM 0 HE3 LYS A 10 5.817 10.846 12.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 5.978 11.246 14.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 4.477 10.544 14.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 5.704 9.604 15.098 1.00 0.00 H new ATOM 128 N LEU A 11 6.502 4.361 12.522 1.00 0.00 N ATOM 129 CA LEU A 11 5.916 3.127 12.010 1.00 0.00 C ATOM 130 C LEU A 11 4.468 3.348 11.583 1.00 0.00 C ATOM 131 O LEU A 11 3.643 3.817 12.367 1.00 0.00 O ATOM 132 CB LEU A 11 5.985 2.028 13.071 1.00 0.00 C ATOM 133 CG LEU A 11 7.378 1.700 13.608 1.00 0.00 C ATOM 134 CD1 LEU A 11 7.296 0.638 14.694 1.00 0.00 C ATOM 135 CD2 LEU A 11 8.291 1.241 12.480 1.00 0.00 C ATOM 0 H LEU A 11 5.930 4.844 13.215 1.00 0.00 H new ATOM 0 HA LEU A 11 6.489 2.816 11.137 1.00 0.00 H new ATOM 0 HB2 LEU A 11 5.354 2.321 13.910 1.00 0.00 H new ATOM 0 HB3 LEU A 11 5.556 1.118 12.651 1.00 0.00 H new ATOM 0 HG LEU A 11 7.799 2.606 14.045 1.00 0.00 H new ATOM 0 HD11 LEU A 11 8.297 0.418 15.064 1.00 0.00 H new ATOM 0 HD12 LEU A 11 6.678 1.003 15.514 1.00 0.00 H new ATOM 0 HD13 LEU A 11 6.853 -0.269 14.283 1.00 0.00 H new ATOM 0 HD21 LEU A 11 9.278 1.012 12.881 1.00 0.00 H new ATOM 0 HD22 LEU A 11 7.873 0.349 12.014 1.00 0.00 H new ATOM 0 HD23 LEU A 11 8.377 2.033 11.736 1.00 0.00 H new ATOM 147 N VAL A 12 4.165 3.004 10.335 1.00 0.00 N ATOM 148 CA VAL A 12 2.817 3.161 9.805 1.00 0.00 C ATOM 149 C VAL A 12 2.203 1.810 9.453 1.00 0.00 C ATOM 150 O VAL A 12 2.810 1.007 8.743 1.00 0.00 O ATOM 151 CB VAL A 12 2.807 4.058 8.553 1.00 0.00 C ATOM 152 CG1 VAL A 12 3.762 5.229 8.727 1.00 0.00 C ATOM 153 CG2 VAL A 12 3.162 3.249 7.315 1.00 0.00 C ATOM 0 H VAL A 12 4.836 2.615 9.673 1.00 0.00 H new ATOM 0 HA VAL A 12 2.223 3.634 10.587 1.00 0.00 H new ATOM 0 HB VAL A 12 1.801 4.457 8.422 1.00 0.00 H new ATOM 0 HG11 VAL A 12 3.741 5.851 7.832 1.00 0.00 H new ATOM 0 HG12 VAL A 12 3.457 5.822 9.589 1.00 0.00 H new ATOM 0 HG13 VAL A 12 4.773 4.854 8.884 1.00 0.00 H new ATOM 0 HG21 VAL A 12 3.150 3.899 6.440 1.00 0.00 H new ATOM 0 HG22 VAL A 12 4.156 2.819 7.434 1.00 0.00 H new ATOM 0 HG23 VAL A 12 2.434 2.449 7.182 1.00 0.00 H new ATOM 163 N ARG A 13 0.997 1.566 9.954 1.00 0.00 N ATOM 164 CA ARG A 13 0.301 0.311 9.693 1.00 0.00 C ATOM 165 C ARG A 13 -0.714 0.477 8.566 1.00 0.00 C ATOM 166 O ARG A 13 -1.588 1.342 8.627 1.00 0.00 O ATOM 167 CB ARG A 13 -0.402 -0.179 10.960 1.00 0.00 C ATOM 168 CG ARG A 13 0.551 -0.696 12.025 1.00 0.00 C ATOM 169 CD ARG A 13 -0.045 -0.564 13.418 1.00 0.00 C ATOM 170 NE ARG A 13 -0.282 0.830 13.781 1.00 0.00 N ATOM 171 CZ ARG A 13 -0.713 1.214 14.978 1.00 0.00 C ATOM 172 NH1 ARG A 13 -0.952 0.313 15.921 1.00 0.00 N ATOM 173 NH2 ARG A 13 -0.905 2.502 15.233 1.00 0.00 N ATOM 0 H ARG A 13 0.481 2.220 10.543 1.00 0.00 H new ATOM 0 HA ARG A 13 1.040 -0.429 9.387 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -0.991 0.638 11.377 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -1.101 -0.972 10.694 1.00 0.00 H new ATOM 0 HG2 ARG A 13 0.787 -1.741 11.827 1.00 0.00 H new ATOM 0 HG3 ARG A 13 1.489 -0.142 11.975 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -0.984 -1.115 13.464 1.00 0.00 H new ATOM 0 HD3 ARG A 13 0.628 -1.019 14.145 1.00 0.00 H new ATOM 0 HE ARG A 13 -0.107 1.548 13.078 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -0.805 -0.678 15.729 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -1.283 0.611 16.839 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -0.722 3.198 14.510 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -1.236 2.796 16.152 1.00 0.00 H new ATOM 187 N ILE A 14 -0.592 -0.358 7.539 1.00 0.00 N ATOM 188 CA ILE A 14 -1.499 -0.304 6.400 1.00 0.00 C ATOM 189 C ILE A 14 -2.377 -1.549 6.337 1.00 0.00 C ATOM 190 O ILE A 14 -1.887 -2.673 6.449 1.00 0.00 O ATOM 191 CB ILE A 14 -0.728 -0.166 5.073 1.00 0.00 C ATOM 192 CG1 ILE A 14 -0.157 1.247 4.935 1.00 0.00 C ATOM 193 CG2 ILE A 14 -1.636 -0.493 3.897 1.00 0.00 C ATOM 194 CD1 ILE A 14 -1.217 2.314 4.774 1.00 0.00 C ATOM 0 H ILE A 14 0.126 -1.079 7.473 1.00 0.00 H new ATOM 0 HA ILE A 14 -2.128 0.575 6.539 1.00 0.00 H new ATOM 0 HB ILE A 14 0.101 -0.874 5.075 1.00 0.00 H new ATOM 0 HG12 ILE A 14 0.445 1.474 5.815 1.00 0.00 H new ATOM 0 HG13 ILE A 14 0.511 1.278 4.075 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -1.077 -0.391 2.967 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -2.000 -1.516 3.992 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -2.482 0.194 3.889 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -0.740 3.290 4.682 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -1.804 2.111 3.878 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -1.872 2.311 5.646 1.00 0.00 H new ATOM 206 N TYR A 15 -3.676 -1.341 6.155 1.00 0.00 N ATOM 207 CA TYR A 15 -4.623 -2.447 6.077 1.00 0.00 C ATOM 208 C TYR A 15 -4.903 -2.824 4.626 1.00 0.00 C ATOM 209 O TYR A 15 -5.701 -2.178 3.946 1.00 0.00 O ATOM 210 CB TYR A 15 -5.930 -2.077 6.781 1.00 0.00 C ATOM 211 CG TYR A 15 -5.743 -1.642 8.217 1.00 0.00 C ATOM 212 CD1 TYR A 15 -5.376 -2.555 9.197 1.00 0.00 C ATOM 213 CD2 TYR A 15 -5.933 -0.318 8.593 1.00 0.00 C ATOM 214 CE1 TYR A 15 -5.205 -2.163 10.511 1.00 0.00 C ATOM 215 CE2 TYR A 15 -5.762 0.084 9.904 1.00 0.00 C ATOM 216 CZ TYR A 15 -5.398 -0.842 10.859 1.00 0.00 C ATOM 217 OH TYR A 15 -5.228 -0.446 12.166 1.00 0.00 O ATOM 0 H TYR A 15 -4.097 -0.417 6.059 1.00 0.00 H new ATOM 0 HA TYR A 15 -4.179 -3.308 6.577 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -6.416 -1.274 6.227 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -6.602 -2.935 6.755 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -5.222 -3.589 8.927 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -6.219 0.409 7.848 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -4.922 -2.887 11.261 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -5.913 1.117 10.179 1.00 0.00 H new ATOM 0 HH TYR A 15 -5.401 0.516 12.242 1.00 0.00 H new ATOM 227 N THR A 16 -4.240 -3.876 4.156 1.00 0.00 N ATOM 228 CA THR A 16 -4.416 -4.341 2.786 1.00 0.00 C ATOM 229 C THR A 16 -5.824 -4.881 2.564 1.00 0.00 C ATOM 230 O THR A 16 -6.352 -5.624 3.392 1.00 0.00 O ATOM 231 CB THR A 16 -3.395 -5.438 2.429 1.00 0.00 C ATOM 232 OG1 THR A 16 -3.530 -5.804 1.052 1.00 0.00 O ATOM 233 CG2 THR A 16 -3.591 -6.665 3.307 1.00 0.00 C ATOM 0 H THR A 16 -3.576 -4.422 4.705 1.00 0.00 H new ATOM 0 HA THR A 16 -4.254 -3.480 2.138 1.00 0.00 H new ATOM 0 HB THR A 16 -2.394 -5.042 2.602 1.00 0.00 H new ATOM 0 HG1 THR A 16 -2.876 -6.500 0.833 1.00 0.00 H new ATOM 0 HG21 THR A 16 -2.859 -7.426 3.037 1.00 0.00 H new ATOM 0 HG22 THR A 16 -3.458 -6.389 4.353 1.00 0.00 H new ATOM 0 HG23 THR A 16 -4.596 -7.060 3.161 1.00 0.00 H new ATOM 241 N LYS A 17 -6.427 -4.505 1.442 1.00 0.00 N ATOM 242 CA LYS A 17 -7.774 -4.953 1.109 1.00 0.00 C ATOM 243 C LYS A 17 -7.737 -6.041 0.041 1.00 0.00 C ATOM 244 O LYS A 17 -7.259 -5.834 -1.075 1.00 0.00 O ATOM 245 CB LYS A 17 -8.621 -3.775 0.623 1.00 0.00 C ATOM 246 CG LYS A 17 -10.112 -3.969 0.835 1.00 0.00 C ATOM 247 CD LYS A 17 -10.905 -2.762 0.363 1.00 0.00 C ATOM 248 CE LYS A 17 -12.382 -2.899 0.697 1.00 0.00 C ATOM 249 NZ LYS A 17 -13.043 -3.944 -0.134 1.00 0.00 N ATOM 0 H LYS A 17 -6.004 -3.890 0.747 1.00 0.00 H new ATOM 0 HA LYS A 17 -8.224 -5.368 2.011 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -8.303 -2.871 1.143 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -8.431 -3.616 -0.438 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -10.444 -4.857 0.297 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -10.310 -4.145 1.892 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -10.508 -1.860 0.829 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -10.784 -2.645 -0.714 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -12.494 -3.149 1.752 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -12.880 -1.942 0.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -14.049 -4.007 0.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -12.958 -3.693 -1.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -12.584 -4.862 0.034 1.00 0.00 H new ATOM 263 N PRO A 18 -8.254 -7.230 0.387 1.00 0.00 N ATOM 264 CA PRO A 18 -8.294 -8.373 -0.530 1.00 0.00 C ATOM 265 C PRO A 18 -9.282 -8.166 -1.673 1.00 0.00 C ATOM 266 O PRO A 18 -10.142 -7.287 -1.612 1.00 0.00 O ATOM 267 CB PRO A 18 -8.746 -9.530 0.365 1.00 0.00 C ATOM 268 CG PRO A 18 -9.503 -8.879 1.471 1.00 0.00 C ATOM 269 CD PRO A 18 -8.841 -7.549 1.699 1.00 0.00 C ATOM 0 HA PRO A 18 -7.332 -8.541 -1.014 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -9.373 -10.233 -0.183 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -7.894 -10.092 0.746 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -10.552 -8.752 1.204 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -9.476 -9.488 2.374 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -9.559 -6.791 2.013 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -8.079 -7.607 2.476 1.00 0.00 H new ATOM 277 N LYS A 19 -9.153 -8.980 -2.715 1.00 0.00 N ATOM 278 CA LYS A 19 -10.035 -8.888 -3.872 1.00 0.00 C ATOM 279 C LYS A 19 -11.316 -9.685 -3.645 1.00 0.00 C ATOM 280 O LYS A 19 -11.309 -10.915 -3.689 1.00 0.00 O ATOM 281 CB LYS A 19 -9.321 -9.397 -5.126 1.00 0.00 C ATOM 282 CG LYS A 19 -8.876 -10.846 -5.026 1.00 0.00 C ATOM 283 CD LYS A 19 -7.683 -11.126 -5.925 1.00 0.00 C ATOM 284 CE LYS A 19 -6.976 -12.412 -5.527 1.00 0.00 C ATOM 285 NZ LYS A 19 -5.572 -12.450 -6.024 1.00 0.00 N ATOM 0 H LYS A 19 -8.445 -9.712 -2.782 1.00 0.00 H new ATOM 0 HA LYS A 19 -10.300 -7.840 -4.012 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -9.987 -9.288 -5.982 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -8.450 -8.770 -5.318 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -8.617 -11.077 -3.993 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -9.702 -11.501 -5.302 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -8.015 -11.198 -6.961 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -6.982 -10.293 -5.872 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -6.980 -12.507 -4.441 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -7.525 -13.266 -5.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -5.124 -13.342 -5.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -5.569 -12.385 -7.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -5.041 -11.650 -5.625 1.00 0.00 H new ATOM 299 N GLY A 20 -12.414 -8.976 -3.403 1.00 0.00 N ATOM 300 CA GLY A 20 -13.687 -9.635 -3.174 1.00 0.00 C ATOM 301 C GLY A 20 -13.998 -9.800 -1.699 1.00 0.00 C ATOM 302 O GLY A 20 -15.162 -9.810 -1.302 1.00 0.00 O ATOM 0 H GLY A 20 -12.445 -7.957 -3.361 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -14.482 -9.058 -3.647 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -13.677 -10.615 -3.652 1.00 0.00 H new ATOM 306 N GLN A 21 -12.954 -9.930 -0.887 1.00 0.00 N ATOM 307 CA GLN A 21 -13.122 -10.098 0.551 1.00 0.00 C ATOM 308 C GLN A 21 -12.900 -8.779 1.283 1.00 0.00 C ATOM 309 O GLN A 21 -12.700 -7.736 0.658 1.00 0.00 O ATOM 310 CB GLN A 21 -12.152 -11.157 1.079 1.00 0.00 C ATOM 311 CG GLN A 21 -12.695 -12.575 0.996 1.00 0.00 C ATOM 312 CD GLN A 21 -12.011 -13.519 1.964 1.00 0.00 C ATOM 313 OE1 GLN A 21 -11.979 -13.274 3.170 1.00 0.00 O ATOM 314 NE2 GLN A 21 -11.459 -14.608 1.440 1.00 0.00 N ATOM 0 H GLN A 21 -11.983 -9.922 -1.200 1.00 0.00 H new ATOM 0 HA GLN A 21 -14.145 -10.427 0.736 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -11.222 -11.099 0.514 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -11.909 -10.930 2.117 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -13.765 -12.563 1.202 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -12.570 -12.949 -0.020 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -11.509 -14.772 0.434 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -10.985 -15.280 2.043 1.00 0.00 H new ATOM 323 N LEU A 22 -12.937 -8.830 2.610 1.00 0.00 N ATOM 324 CA LEU A 22 -12.741 -7.638 3.428 1.00 0.00 C ATOM 325 C LEU A 22 -11.286 -7.514 3.868 1.00 0.00 C ATOM 326 O LEU A 22 -10.559 -8.502 3.980 1.00 0.00 O ATOM 327 CB LEU A 22 -13.655 -7.681 4.653 1.00 0.00 C ATOM 328 CG LEU A 22 -15.132 -7.377 4.400 1.00 0.00 C ATOM 329 CD1 LEU A 22 -15.990 -7.925 5.529 1.00 0.00 C ATOM 330 CD2 LEU A 22 -15.349 -5.879 4.241 1.00 0.00 C ATOM 0 H LEU A 22 -13.101 -9.684 3.143 1.00 0.00 H new ATOM 0 HA LEU A 22 -12.994 -6.766 2.824 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -13.580 -8.671 5.102 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -13.279 -6.969 5.387 1.00 0.00 H new ATOM 0 HG LEU A 22 -15.431 -7.867 3.473 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -17.038 -7.699 5.332 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -15.858 -9.005 5.595 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -15.690 -7.464 6.470 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -16.406 -5.681 4.062 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -15.033 -5.367 5.150 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -14.763 -5.514 3.397 1.00 0.00 H new ATOM 342 N PRO A 23 -10.849 -6.273 4.126 1.00 0.00 N ATOM 343 CA PRO A 23 -9.478 -5.990 4.562 1.00 0.00 C ATOM 344 C PRO A 23 -9.206 -6.486 5.978 1.00 0.00 C ATOM 345 O PRO A 23 -10.022 -6.297 6.880 1.00 0.00 O ATOM 346 CB PRO A 23 -9.396 -4.462 4.505 1.00 0.00 C ATOM 347 CG PRO A 23 -10.803 -4.001 4.668 1.00 0.00 C ATOM 348 CD PRO A 23 -11.661 -5.049 4.014 1.00 0.00 C ATOM 0 HA PRO A 23 -8.740 -6.494 3.938 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -8.757 -4.070 5.296 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -8.976 -4.123 3.558 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -11.058 -3.890 5.722 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -10.951 -3.028 4.200 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -12.621 -5.156 4.520 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -11.874 -4.802 2.974 1.00 0.00 H new ATOM 356 N ASP A 24 -8.053 -7.119 6.166 1.00 0.00 N ATOM 357 CA ASP A 24 -7.673 -7.641 7.473 1.00 0.00 C ATOM 358 C ASP A 24 -7.238 -6.513 8.403 1.00 0.00 C ATOM 359 O ASP A 24 -6.237 -5.841 8.154 1.00 0.00 O ATOM 360 CB ASP A 24 -6.544 -8.664 7.329 1.00 0.00 C ATOM 361 CG ASP A 24 -5.495 -8.230 6.325 1.00 0.00 C ATOM 362 OD1 ASP A 24 -5.458 -7.028 5.986 1.00 0.00 O ATOM 363 OD2 ASP A 24 -4.709 -9.092 5.878 1.00 0.00 O ATOM 0 H ASP A 24 -7.366 -7.283 5.430 1.00 0.00 H new ATOM 0 HA ASP A 24 -8.544 -8.131 7.908 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -6.072 -8.819 8.299 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -6.963 -9.622 7.021 1.00 0.00 H new ATOM 368 N TYR A 25 -7.997 -6.310 9.474 1.00 0.00 N ATOM 369 CA TYR A 25 -7.692 -5.261 10.440 1.00 0.00 C ATOM 370 C TYR A 25 -6.915 -5.822 11.627 1.00 0.00 C ATOM 371 O TYR A 25 -6.644 -5.114 12.598 1.00 0.00 O ATOM 372 CB TYR A 25 -8.981 -4.597 10.927 1.00 0.00 C ATOM 373 CG TYR A 25 -9.749 -3.889 9.834 1.00 0.00 C ATOM 374 CD1 TYR A 25 -9.427 -2.589 9.462 1.00 0.00 C ATOM 375 CD2 TYR A 25 -10.795 -4.520 9.173 1.00 0.00 C ATOM 376 CE1 TYR A 25 -10.126 -1.938 8.464 1.00 0.00 C ATOM 377 CE2 TYR A 25 -11.499 -3.877 8.172 1.00 0.00 C ATOM 378 CZ TYR A 25 -11.161 -2.586 7.822 1.00 0.00 C ATOM 379 OH TYR A 25 -11.860 -1.942 6.827 1.00 0.00 O ATOM 0 H TYR A 25 -8.828 -6.858 9.695 1.00 0.00 H new ATOM 0 HA TYR A 25 -7.072 -4.515 9.944 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -9.622 -5.355 11.377 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -8.736 -3.880 11.711 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -8.617 -2.079 9.962 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -11.063 -5.530 9.446 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -9.864 -0.927 8.188 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -12.309 -4.382 7.667 1.00 0.00 H new ATOM 0 HH TYR A 25 -11.271 -1.303 6.374 1.00 0.00 H new ATOM 389 N THR A 26 -6.558 -7.099 11.542 1.00 0.00 N ATOM 390 CA THR A 26 -5.813 -7.757 12.607 1.00 0.00 C ATOM 391 C THR A 26 -4.398 -8.104 12.156 1.00 0.00 C ATOM 392 O THR A 26 -3.486 -8.218 12.974 1.00 0.00 O ATOM 393 CB THR A 26 -6.519 -9.043 13.076 1.00 0.00 C ATOM 394 OG1 THR A 26 -5.769 -9.658 14.129 1.00 0.00 O ATOM 395 CG2 THR A 26 -6.682 -10.022 11.924 1.00 0.00 C ATOM 0 H THR A 26 -6.773 -7.699 10.745 1.00 0.00 H new ATOM 0 HA THR A 26 -5.765 -7.054 13.438 1.00 0.00 H new ATOM 0 HB THR A 26 -7.508 -8.773 13.445 1.00 0.00 H new ATOM 0 HG1 THR A 26 -6.226 -10.474 14.422 1.00 0.00 H new ATOM 0 HG21 THR A 26 -7.183 -10.922 12.280 1.00 0.00 H new ATOM 0 HG22 THR A 26 -7.279 -9.561 11.137 1.00 0.00 H new ATOM 0 HG23 THR A 26 -5.701 -10.285 11.528 1.00 0.00 H new ATOM 403 N SER A 27 -4.223 -8.270 10.849 1.00 0.00 N ATOM 404 CA SER A 27 -2.920 -8.607 10.289 1.00 0.00 C ATOM 405 C SER A 27 -2.458 -7.536 9.305 1.00 0.00 C ATOM 406 O SER A 27 -2.153 -7.813 8.145 1.00 0.00 O ATOM 407 CB SER A 27 -2.977 -9.967 9.591 1.00 0.00 C ATOM 408 OG SER A 27 -1.720 -10.619 9.639 1.00 0.00 O ATOM 0 H SER A 27 -4.968 -8.177 10.158 1.00 0.00 H new ATOM 0 HA SER A 27 -2.202 -8.657 11.108 1.00 0.00 H new ATOM 0 HB2 SER A 27 -3.733 -10.592 10.067 1.00 0.00 H new ATOM 0 HB3 SER A 27 -3.281 -9.834 8.553 1.00 0.00 H new ATOM 0 HG SER A 27 -1.784 -11.486 9.187 1.00 0.00 H new ATOM 414 N PRO A 28 -2.404 -6.283 9.779 1.00 0.00 N ATOM 415 CA PRO A 28 -1.980 -5.144 8.958 1.00 0.00 C ATOM 416 C PRO A 28 -0.491 -5.189 8.630 1.00 0.00 C ATOM 417 O PRO A 28 0.281 -5.881 9.294 1.00 0.00 O ATOM 418 CB PRO A 28 -2.297 -3.934 9.840 1.00 0.00 C ATOM 419 CG PRO A 28 -2.263 -4.461 11.233 1.00 0.00 C ATOM 420 CD PRO A 28 -2.752 -5.880 11.151 1.00 0.00 C ATOM 0 HA PRO A 28 -2.484 -5.128 7.991 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -1.565 -3.139 9.700 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -3.274 -3.514 9.599 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -1.253 -4.419 11.641 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -2.898 -3.867 11.891 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -2.267 -6.516 11.892 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -3.825 -5.946 11.329 1.00 0.00 H new ATOM 428 N VAL A 29 -0.094 -4.445 7.602 1.00 0.00 N ATOM 429 CA VAL A 29 1.303 -4.399 7.187 1.00 0.00 C ATOM 430 C VAL A 29 1.973 -3.113 7.657 1.00 0.00 C ATOM 431 O VAL A 29 1.787 -2.050 7.064 1.00 0.00 O ATOM 432 CB VAL A 29 1.437 -4.505 5.656 1.00 0.00 C ATOM 433 CG1 VAL A 29 0.438 -3.588 4.968 1.00 0.00 C ATOM 434 CG2 VAL A 29 2.859 -4.179 5.223 1.00 0.00 C ATOM 0 H VAL A 29 -0.720 -3.866 7.042 1.00 0.00 H new ATOM 0 HA VAL A 29 1.799 -5.253 7.648 1.00 0.00 H new ATOM 0 HB VAL A 29 1.217 -5.530 5.359 1.00 0.00 H new ATOM 0 HG11 VAL A 29 0.547 -3.676 3.887 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -0.574 -3.873 5.255 1.00 0.00 H new ATOM 0 HG13 VAL A 29 0.624 -2.557 5.268 1.00 0.00 H new ATOM 0 HG21 VAL A 29 2.936 -4.259 4.139 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.110 -3.164 5.531 1.00 0.00 H new ATOM 0 HG23 VAL A 29 3.551 -4.881 5.689 1.00 0.00 H new ATOM 444 N VAL A 30 2.755 -3.217 8.727 1.00 0.00 N ATOM 445 CA VAL A 30 3.455 -2.062 9.277 1.00 0.00 C ATOM 446 C VAL A 30 4.837 -1.908 8.651 1.00 0.00 C ATOM 447 O VAL A 30 5.754 -2.674 8.948 1.00 0.00 O ATOM 448 CB VAL A 30 3.606 -2.173 10.806 1.00 0.00 C ATOM 449 CG1 VAL A 30 3.902 -3.609 11.211 1.00 0.00 C ATOM 450 CG2 VAL A 30 4.696 -1.235 11.303 1.00 0.00 C ATOM 0 H VAL A 30 2.920 -4.089 9.230 1.00 0.00 H new ATOM 0 HA VAL A 30 2.852 -1.185 9.041 1.00 0.00 H new ATOM 0 HB VAL A 30 2.665 -1.877 11.269 1.00 0.00 H new ATOM 0 HG11 VAL A 30 4.005 -3.668 12.295 1.00 0.00 H new ATOM 0 HG12 VAL A 30 3.084 -4.254 10.889 1.00 0.00 H new ATOM 0 HG13 VAL A 30 4.829 -3.936 10.740 1.00 0.00 H new ATOM 0 HG21 VAL A 30 4.789 -1.326 12.385 1.00 0.00 H new ATOM 0 HG22 VAL A 30 5.644 -1.498 10.834 1.00 0.00 H new ATOM 0 HG23 VAL A 30 4.437 -0.208 11.047 1.00 0.00 H new ATOM 460 N LEU A 31 4.978 -0.913 7.783 1.00 0.00 N ATOM 461 CA LEU A 31 6.249 -0.656 7.114 1.00 0.00 C ATOM 462 C LEU A 31 7.017 0.461 7.813 1.00 0.00 C ATOM 463 O LEU A 31 6.438 1.348 8.440 1.00 0.00 O ATOM 464 CB LEU A 31 6.011 -0.287 5.649 1.00 0.00 C ATOM 465 CG LEU A 31 4.924 -1.082 4.924 1.00 0.00 C ATOM 466 CD1 LEU A 31 4.274 -0.234 3.842 1.00 0.00 C ATOM 467 CD2 LEU A 31 5.502 -2.358 4.330 1.00 0.00 C ATOM 0 H LEU A 31 4.228 -0.271 7.526 1.00 0.00 H new ATOM 0 HA LEU A 31 6.846 -1.567 7.161 1.00 0.00 H new ATOM 0 HB2 LEU A 31 5.754 0.771 5.599 1.00 0.00 H new ATOM 0 HB3 LEU A 31 6.948 -0.413 5.107 1.00 0.00 H new ATOM 0 HG LEU A 31 4.158 -1.358 5.649 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.503 -0.816 3.337 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.823 0.650 4.294 1.00 0.00 H new ATOM 0 HD13 LEU A 31 5.029 0.074 3.118 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.714 -2.911 3.818 1.00 0.00 H new ATOM 0 HD22 LEU A 31 6.288 -2.105 3.619 1.00 0.00 H new ATOM 0 HD23 LEU A 31 5.918 -2.974 5.127 1.00 0.00 H new ATOM 479 N PRO A 32 8.353 0.420 7.703 1.00 0.00 N ATOM 480 CA PRO A 32 9.229 1.423 8.316 1.00 0.00 C ATOM 481 C PRO A 32 9.117 2.783 7.636 1.00 0.00 C ATOM 482 O PRO A 32 9.312 2.901 6.426 1.00 0.00 O ATOM 483 CB PRO A 32 10.630 0.839 8.116 1.00 0.00 C ATOM 484 CG PRO A 32 10.506 -0.047 6.925 1.00 0.00 C ATOM 485 CD PRO A 32 9.112 -0.609 6.971 1.00 0.00 C ATOM 0 HA PRO A 32 8.973 1.605 9.360 1.00 0.00 H new ATOM 0 HB2 PRO A 32 11.366 1.625 7.949 1.00 0.00 H new ATOM 0 HB3 PRO A 32 10.954 0.279 8.993 1.00 0.00 H new ATOM 0 HG2 PRO A 32 10.671 0.512 6.004 1.00 0.00 H new ATOM 0 HG3 PRO A 32 11.249 -0.844 6.952 1.00 0.00 H new ATOM 0 HD2 PRO A 32 8.710 -0.769 5.971 1.00 0.00 H new ATOM 0 HD3 PRO A 32 9.083 -1.570 7.484 1.00 0.00 H new ATOM 493 N TYR A 33 8.803 3.807 8.422 1.00 0.00 N ATOM 494 CA TYR A 33 8.663 5.159 7.895 1.00 0.00 C ATOM 495 C TYR A 33 9.667 5.414 6.774 1.00 0.00 C ATOM 496 O TYR A 33 9.289 5.603 5.618 1.00 0.00 O ATOM 497 CB TYR A 33 8.857 6.187 9.011 1.00 0.00 C ATOM 498 CG TYR A 33 8.460 7.592 8.617 1.00 0.00 C ATOM 499 CD1 TYR A 33 7.158 8.043 8.799 1.00 0.00 C ATOM 500 CD2 TYR A 33 9.385 8.467 8.063 1.00 0.00 C ATOM 501 CE1 TYR A 33 6.791 9.326 8.440 1.00 0.00 C ATOM 502 CE2 TYR A 33 9.027 9.751 7.702 1.00 0.00 C ATOM 503 CZ TYR A 33 7.729 10.176 7.892 1.00 0.00 C ATOM 504 OH TYR A 33 7.367 11.454 7.533 1.00 0.00 O ATOM 0 H TYR A 33 8.641 3.726 9.426 1.00 0.00 H new ATOM 0 HA TYR A 33 7.657 5.260 7.488 1.00 0.00 H new ATOM 0 HB2 TYR A 33 8.272 5.883 9.879 1.00 0.00 H new ATOM 0 HB3 TYR A 33 9.903 6.186 9.316 1.00 0.00 H new ATOM 0 HD1 TYR A 33 6.421 7.380 9.228 1.00 0.00 H new ATOM 0 HD2 TYR A 33 10.402 8.138 7.912 1.00 0.00 H new ATOM 0 HE1 TYR A 33 5.775 9.661 8.588 1.00 0.00 H new ATOM 0 HE2 TYR A 33 9.760 10.419 7.273 1.00 0.00 H new ATOM 0 HH TYR A 33 8.144 11.923 7.164 1.00 0.00 H new ATOM 514 N SER A 34 10.948 5.417 7.126 1.00 0.00 N ATOM 515 CA SER A 34 12.008 5.651 6.152 1.00 0.00 C ATOM 516 C SER A 34 11.638 5.062 4.794 1.00 0.00 C ATOM 517 O SER A 34 11.895 5.666 3.753 1.00 0.00 O ATOM 518 CB SER A 34 13.324 5.045 6.643 1.00 0.00 C ATOM 519 OG SER A 34 14.005 5.936 7.508 1.00 0.00 O ATOM 0 H SER A 34 11.278 5.260 8.078 1.00 0.00 H new ATOM 0 HA SER A 34 12.133 6.728 6.039 1.00 0.00 H new ATOM 0 HB2 SER A 34 13.125 4.109 7.164 1.00 0.00 H new ATOM 0 HB3 SER A 34 13.958 4.806 5.790 1.00 0.00 H new ATOM 0 HG SER A 34 14.842 5.524 7.809 1.00 0.00 H new ATOM 525 N ARG A 35 11.033 3.879 4.815 1.00 0.00 N ATOM 526 CA ARG A 35 10.628 3.206 3.587 1.00 0.00 C ATOM 527 C ARG A 35 9.124 2.950 3.578 1.00 0.00 C ATOM 528 O ARG A 35 8.661 1.887 3.994 1.00 0.00 O ATOM 529 CB ARG A 35 11.382 1.885 3.431 1.00 0.00 C ATOM 530 CG ARG A 35 12.885 2.016 3.617 1.00 0.00 C ATOM 531 CD ARG A 35 13.287 1.814 5.070 1.00 0.00 C ATOM 532 NE ARG A 35 14.671 1.368 5.198 1.00 0.00 N ATOM 533 CZ ARG A 35 15.050 0.101 5.071 1.00 0.00 C ATOM 534 NH1 ARG A 35 14.152 -0.840 4.813 1.00 0.00 N ATOM 535 NH2 ARG A 35 16.329 -0.227 5.202 1.00 0.00 N ATOM 0 H ARG A 35 10.813 3.367 5.669 1.00 0.00 H new ATOM 0 HA ARG A 35 10.873 3.857 2.748 1.00 0.00 H new ATOM 0 HB2 ARG A 35 10.996 1.168 4.156 1.00 0.00 H new ATOM 0 HB3 ARG A 35 11.181 1.477 2.441 1.00 0.00 H new ATOM 0 HG2 ARG A 35 13.395 1.283 2.992 1.00 0.00 H new ATOM 0 HG3 ARG A 35 13.210 3.001 3.282 1.00 0.00 H new ATOM 0 HD2 ARG A 35 13.155 2.748 5.616 1.00 0.00 H new ATOM 0 HD3 ARG A 35 12.626 1.080 5.530 1.00 0.00 H new ATOM 0 HE ARG A 35 15.386 2.068 5.396 1.00 0.00 H new ATOM 0 HH11 ARG A 35 13.168 -0.592 4.712 1.00 0.00 H new ATOM 0 HH12 ARG A 35 14.445 -1.812 4.716 1.00 0.00 H new ATOM 0 HH21 ARG A 35 17.023 0.494 5.400 1.00 0.00 H new ATOM 0 HH22 ARG A 35 16.619 -1.200 5.104 1.00 0.00 H new ATOM 549 N THR A 36 8.364 3.931 3.101 1.00 0.00 N ATOM 550 CA THR A 36 6.913 3.813 3.039 1.00 0.00 C ATOM 551 C THR A 36 6.375 4.335 1.711 1.00 0.00 C ATOM 552 O THR A 36 6.371 5.540 1.461 1.00 0.00 O ATOM 553 CB THR A 36 6.237 4.581 4.191 1.00 0.00 C ATOM 554 OG1 THR A 36 6.916 5.821 4.417 1.00 0.00 O ATOM 555 CG2 THR A 36 6.241 3.754 5.468 1.00 0.00 C ATOM 0 H THR A 36 8.730 4.817 2.752 1.00 0.00 H new ATOM 0 HA THR A 36 6.678 2.753 3.132 1.00 0.00 H new ATOM 0 HB THR A 36 5.203 4.780 3.909 1.00 0.00 H new ATOM 0 HG1 THR A 36 7.766 5.650 4.875 1.00 0.00 H new ATOM 0 HG21 THR A 36 5.759 4.317 6.267 1.00 0.00 H new ATOM 0 HG22 THR A 36 5.698 2.824 5.301 1.00 0.00 H new ATOM 0 HG23 THR A 36 7.269 3.529 5.752 1.00 0.00 H new ATOM 563 N THR A 37 5.919 3.419 0.862 1.00 0.00 N ATOM 564 CA THR A 37 5.379 3.787 -0.441 1.00 0.00 C ATOM 565 C THR A 37 4.604 2.630 -1.061 1.00 0.00 C ATOM 566 O THR A 37 4.905 1.463 -0.810 1.00 0.00 O ATOM 567 CB THR A 37 6.495 4.220 -1.410 1.00 0.00 C ATOM 568 OG1 THR A 37 7.711 3.533 -1.095 1.00 0.00 O ATOM 569 CG2 THR A 37 6.722 5.723 -1.337 1.00 0.00 C ATOM 0 H THR A 37 5.913 2.417 1.054 1.00 0.00 H new ATOM 0 HA THR A 37 4.704 4.627 -0.278 1.00 0.00 H new ATOM 0 HB THR A 37 6.186 3.964 -2.423 1.00 0.00 H new ATOM 0 HG1 THR A 37 8.415 3.813 -1.717 1.00 0.00 H new ATOM 0 HG21 THR A 37 7.515 6.005 -2.030 1.00 0.00 H new ATOM 0 HG22 THR A 37 5.803 6.243 -1.606 1.00 0.00 H new ATOM 0 HG23 THR A 37 7.012 5.998 -0.323 1.00 0.00 H new ATOM 577 N VAL A 38 3.605 2.961 -1.873 1.00 0.00 N ATOM 578 CA VAL A 38 2.787 1.948 -2.531 1.00 0.00 C ATOM 579 C VAL A 38 3.655 0.862 -3.156 1.00 0.00 C ATOM 580 O VAL A 38 3.304 -0.317 -3.132 1.00 0.00 O ATOM 581 CB VAL A 38 1.896 2.570 -3.623 1.00 0.00 C ATOM 582 CG1 VAL A 38 1.255 1.482 -4.471 1.00 0.00 C ATOM 583 CG2 VAL A 38 0.836 3.465 -2.999 1.00 0.00 C ATOM 0 H VAL A 38 3.342 3.922 -2.091 1.00 0.00 H new ATOM 0 HA VAL A 38 2.153 1.505 -1.763 1.00 0.00 H new ATOM 0 HB VAL A 38 2.520 3.184 -4.272 1.00 0.00 H new ATOM 0 HG11 VAL A 38 0.629 1.939 -5.237 1.00 0.00 H new ATOM 0 HG12 VAL A 38 2.033 0.885 -4.947 1.00 0.00 H new ATOM 0 HG13 VAL A 38 0.642 0.840 -3.838 1.00 0.00 H new ATOM 0 HG21 VAL A 38 0.215 3.896 -3.785 1.00 0.00 H new ATOM 0 HG22 VAL A 38 0.213 2.876 -2.326 1.00 0.00 H new ATOM 0 HG23 VAL A 38 1.319 4.265 -2.438 1.00 0.00 H new ATOM 593 N GLU A 39 4.791 1.269 -3.716 1.00 0.00 N ATOM 594 CA GLU A 39 5.709 0.329 -4.348 1.00 0.00 C ATOM 595 C GLU A 39 6.393 -0.549 -3.304 1.00 0.00 C ATOM 596 O GLU A 39 6.640 -1.732 -3.539 1.00 0.00 O ATOM 597 CB GLU A 39 6.761 1.082 -5.165 1.00 0.00 C ATOM 598 CG GLU A 39 7.722 1.897 -4.317 1.00 0.00 C ATOM 599 CD GLU A 39 8.816 2.551 -5.139 1.00 0.00 C ATOM 600 OE1 GLU A 39 9.334 1.893 -6.066 1.00 0.00 O ATOM 601 OE2 GLU A 39 9.153 3.719 -4.856 1.00 0.00 O ATOM 0 H GLU A 39 5.097 2.242 -3.745 1.00 0.00 H new ATOM 0 HA GLU A 39 5.131 -0.312 -5.014 1.00 0.00 H new ATOM 0 HB2 GLU A 39 7.330 0.365 -5.757 1.00 0.00 H new ATOM 0 HB3 GLU A 39 6.257 1.746 -5.867 1.00 0.00 H new ATOM 0 HG2 GLU A 39 7.165 2.667 -3.782 1.00 0.00 H new ATOM 0 HG3 GLU A 39 8.175 1.251 -3.565 1.00 0.00 H new ATOM 608 N ASP A 40 6.696 0.038 -2.152 1.00 0.00 N ATOM 609 CA ASP A 40 7.350 -0.690 -1.071 1.00 0.00 C ATOM 610 C ASP A 40 6.403 -1.713 -0.454 1.00 0.00 C ATOM 611 O ASP A 40 6.834 -2.756 0.039 1.00 0.00 O ATOM 612 CB ASP A 40 7.842 0.282 0.003 1.00 0.00 C ATOM 613 CG ASP A 40 9.220 0.834 -0.303 1.00 0.00 C ATOM 614 OD1 ASP A 40 9.989 0.151 -1.011 1.00 0.00 O ATOM 615 OD2 ASP A 40 9.531 1.949 0.167 1.00 0.00 O ATOM 0 H ASP A 40 6.499 1.017 -1.942 1.00 0.00 H new ATOM 0 HA ASP A 40 8.206 -1.220 -1.489 1.00 0.00 H new ATOM 0 HB2 ASP A 40 7.135 1.107 0.093 1.00 0.00 H new ATOM 0 HB3 ASP A 40 7.863 -0.227 0.967 1.00 0.00 H new ATOM 620 N PHE A 41 5.110 -1.408 -0.483 1.00 0.00 N ATOM 621 CA PHE A 41 4.101 -2.301 0.076 1.00 0.00 C ATOM 622 C PHE A 41 3.861 -3.494 -0.844 1.00 0.00 C ATOM 623 O PHE A 41 3.657 -4.617 -0.380 1.00 0.00 O ATOM 624 CB PHE A 41 2.790 -1.545 0.302 1.00 0.00 C ATOM 625 CG PHE A 41 1.598 -2.446 0.456 1.00 0.00 C ATOM 626 CD1 PHE A 41 1.136 -3.194 -0.615 1.00 0.00 C ATOM 627 CD2 PHE A 41 0.939 -2.543 1.671 1.00 0.00 C ATOM 628 CE1 PHE A 41 0.039 -4.024 -0.477 1.00 0.00 C ATOM 629 CE2 PHE A 41 -0.158 -3.372 1.815 1.00 0.00 C ATOM 630 CZ PHE A 41 -0.609 -4.112 0.740 1.00 0.00 C ATOM 0 H PHE A 41 4.736 -0.550 -0.887 1.00 0.00 H new ATOM 0 HA PHE A 41 4.469 -2.671 1.033 1.00 0.00 H new ATOM 0 HB2 PHE A 41 2.886 -0.926 1.194 1.00 0.00 H new ATOM 0 HB3 PHE A 41 2.620 -0.870 -0.537 1.00 0.00 H new ATOM 0 HD1 PHE A 41 1.639 -3.128 -1.569 1.00 0.00 H new ATOM 0 HD2 PHE A 41 1.286 -1.965 2.515 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -0.311 -4.603 -1.319 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -0.662 -3.441 2.768 1.00 0.00 H new ATOM 0 HZ PHE A 41 -1.467 -4.759 0.850 1.00 0.00 H new ATOM 640 N CYS A 42 3.887 -3.243 -2.148 1.00 0.00 N ATOM 641 CA CYS A 42 3.671 -4.296 -3.134 1.00 0.00 C ATOM 642 C CYS A 42 4.716 -5.398 -2.990 1.00 0.00 C ATOM 643 O CYS A 42 4.431 -6.571 -3.227 1.00 0.00 O ATOM 644 CB CYS A 42 3.716 -3.716 -4.548 1.00 0.00 C ATOM 645 SG CYS A 42 2.273 -2.716 -4.982 1.00 0.00 S ATOM 0 H CYS A 42 4.055 -2.320 -2.547 1.00 0.00 H new ATOM 0 HA CYS A 42 2.686 -4.729 -2.958 1.00 0.00 H new ATOM 0 HB2 CYS A 42 4.612 -3.104 -4.650 1.00 0.00 H new ATOM 0 HB3 CYS A 42 3.806 -4.534 -5.262 1.00 0.00 H new ATOM 0 HG CYS A 42 2.328 -1.579 -4.354 1.00 0.00 H new ATOM 651 N MET A 43 5.926 -5.012 -2.601 1.00 0.00 N ATOM 652 CA MET A 43 7.014 -5.967 -2.426 1.00 0.00 C ATOM 653 C MET A 43 6.700 -6.947 -1.300 1.00 0.00 C ATOM 654 O MET A 43 6.920 -8.152 -1.432 1.00 0.00 O ATOM 655 CB MET A 43 8.323 -5.234 -2.129 1.00 0.00 C ATOM 656 CG MET A 43 8.741 -4.268 -3.227 1.00 0.00 C ATOM 657 SD MET A 43 9.170 -5.107 -4.764 1.00 0.00 S ATOM 658 CE MET A 43 8.299 -4.093 -5.957 1.00 0.00 C ATOM 0 H MET A 43 6.178 -4.044 -2.401 1.00 0.00 H new ATOM 0 HA MET A 43 7.124 -6.529 -3.354 1.00 0.00 H new ATOM 0 HB2 MET A 43 8.218 -4.685 -1.193 1.00 0.00 H new ATOM 0 HB3 MET A 43 9.115 -5.968 -1.981 1.00 0.00 H new ATOM 0 HG2 MET A 43 7.929 -3.565 -3.416 1.00 0.00 H new ATOM 0 HG3 MET A 43 9.596 -3.684 -2.886 1.00 0.00 H new ATOM 0 HE1 MET A 43 8.209 -4.635 -6.899 1.00 0.00 H new ATOM 0 HE2 MET A 43 7.305 -3.858 -5.578 1.00 0.00 H new ATOM 0 HE3 MET A 43 8.852 -3.168 -6.122 1.00 0.00 H new ATOM 668 N LYS A 44 6.187 -6.424 -0.192 1.00 0.00 N ATOM 669 CA LYS A 44 5.842 -7.252 0.958 1.00 0.00 C ATOM 670 C LYS A 44 5.129 -8.527 0.516 1.00 0.00 C ATOM 671 O LYS A 44 5.387 -9.608 1.045 1.00 0.00 O ATOM 672 CB LYS A 44 4.954 -6.470 1.928 1.00 0.00 C ATOM 673 CG LYS A 44 5.735 -5.702 2.981 1.00 0.00 C ATOM 674 CD LYS A 44 6.002 -6.555 4.210 1.00 0.00 C ATOM 675 CE LYS A 44 6.380 -5.700 5.410 1.00 0.00 C ATOM 676 NZ LYS A 44 7.014 -6.508 6.488 1.00 0.00 N ATOM 0 H LYS A 44 6.001 -5.429 -0.066 1.00 0.00 H new ATOM 0 HA LYS A 44 6.767 -7.530 1.464 1.00 0.00 H new ATOM 0 HB2 LYS A 44 4.339 -5.771 1.362 1.00 0.00 H new ATOM 0 HB3 LYS A 44 4.274 -7.163 2.425 1.00 0.00 H new ATOM 0 HG2 LYS A 44 6.681 -5.364 2.559 1.00 0.00 H new ATOM 0 HG3 LYS A 44 5.178 -4.810 3.270 1.00 0.00 H new ATOM 0 HD2 LYS A 44 5.115 -7.143 4.446 1.00 0.00 H new ATOM 0 HD3 LYS A 44 6.805 -7.261 3.997 1.00 0.00 H new ATOM 0 HE2 LYS A 44 7.066 -4.914 5.094 1.00 0.00 H new ATOM 0 HE3 LYS A 44 5.489 -5.208 5.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 7.257 -5.890 7.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 6.351 -7.243 6.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 7.878 -6.957 6.123 1.00 0.00 H new ATOM 690 N ILE A 45 4.234 -8.392 -0.457 1.00 0.00 N ATOM 691 CA ILE A 45 3.487 -9.533 -0.970 1.00 0.00 C ATOM 692 C ILE A 45 4.273 -10.261 -2.055 1.00 0.00 C ATOM 693 O ILE A 45 4.536 -11.460 -1.948 1.00 0.00 O ATOM 694 CB ILE A 45 2.123 -9.102 -1.542 1.00 0.00 C ATOM 695 CG1 ILE A 45 1.434 -8.121 -0.592 1.00 0.00 C ATOM 696 CG2 ILE A 45 1.243 -10.319 -1.786 1.00 0.00 C ATOM 697 CD1 ILE A 45 1.560 -8.502 0.866 1.00 0.00 C ATOM 0 H ILE A 45 4.009 -7.504 -0.905 1.00 0.00 H new ATOM 0 HA ILE A 45 3.323 -10.207 -0.129 1.00 0.00 H new ATOM 0 HB ILE A 45 2.287 -8.600 -2.495 1.00 0.00 H new ATOM 0 HG12 ILE A 45 1.859 -7.128 -0.738 1.00 0.00 H new ATOM 0 HG13 ILE A 45 0.377 -8.057 -0.852 1.00 0.00 H new ATOM 0 HG21 ILE A 45 0.283 -9.999 -2.190 1.00 0.00 H new ATOM 0 HG22 ILE A 45 1.732 -10.985 -2.497 1.00 0.00 H new ATOM 0 HG23 ILE A 45 1.083 -10.847 -0.846 1.00 0.00 H new ATOM 0 HD11 ILE A 45 1.048 -7.762 1.481 1.00 0.00 H new ATOM 0 HD12 ILE A 45 1.109 -9.481 1.026 1.00 0.00 H new ATOM 0 HD13 ILE A 45 2.614 -8.538 1.143 1.00 0.00 H new ATOM 709 N HIS A 46 4.648 -9.529 -3.099 1.00 0.00 N ATOM 710 CA HIS A 46 5.407 -10.105 -4.204 1.00 0.00 C ATOM 711 C HIS A 46 6.227 -9.034 -4.916 1.00 0.00 C ATOM 712 O HIS A 46 5.917 -7.845 -4.838 1.00 0.00 O ATOM 713 CB HIS A 46 4.466 -10.787 -5.197 1.00 0.00 C ATOM 714 CG HIS A 46 5.086 -11.950 -5.909 1.00 0.00 C ATOM 715 ND1 HIS A 46 6.109 -11.813 -6.823 1.00 0.00 N ATOM 716 CD2 HIS A 46 4.824 -13.275 -5.835 1.00 0.00 C ATOM 717 CE1 HIS A 46 6.448 -13.004 -7.282 1.00 0.00 C ATOM 718 NE2 HIS A 46 5.684 -13.909 -6.698 1.00 0.00 N ATOM 0 H HIS A 46 4.439 -8.536 -3.203 1.00 0.00 H new ATOM 0 HA HIS A 46 6.090 -10.849 -3.794 1.00 0.00 H new ATOM 0 HB2 HIS A 46 3.577 -11.128 -4.667 1.00 0.00 H new ATOM 0 HB3 HIS A 46 4.136 -10.055 -5.934 1.00 0.00 H new ATOM 0 HD2 HIS A 46 4.078 -13.747 -5.213 1.00 0.00 H new ATOM 0 HE1 HIS A 46 7.219 -13.204 -8.011 1.00 0.00 H new ATOM 0 HE2 HIS A 46 5.726 -14.915 -6.861 1.00 0.00 H new ATOM 727 N LYS A 47 7.277 -9.462 -5.609 1.00 0.00 N ATOM 728 CA LYS A 47 8.142 -8.541 -6.336 1.00 0.00 C ATOM 729 C LYS A 47 7.513 -8.139 -7.666 1.00 0.00 C ATOM 730 O LYS A 47 7.220 -6.966 -7.894 1.00 0.00 O ATOM 731 CB LYS A 47 9.511 -9.180 -6.580 1.00 0.00 C ATOM 732 CG LYS A 47 10.058 -9.925 -5.374 1.00 0.00 C ATOM 733 CD LYS A 47 10.725 -8.980 -4.390 1.00 0.00 C ATOM 734 CE LYS A 47 9.731 -8.440 -3.373 1.00 0.00 C ATOM 735 NZ LYS A 47 10.408 -7.944 -2.144 1.00 0.00 N ATOM 0 H LYS A 47 7.549 -10.442 -5.682 1.00 0.00 H new ATOM 0 HA LYS A 47 8.269 -7.645 -5.728 1.00 0.00 H new ATOM 0 HB2 LYS A 47 9.436 -9.871 -7.420 1.00 0.00 H new ATOM 0 HB3 LYS A 47 10.219 -8.403 -6.869 1.00 0.00 H new ATOM 0 HG2 LYS A 47 9.248 -10.458 -4.876 1.00 0.00 H new ATOM 0 HG3 LYS A 47 10.777 -10.675 -5.704 1.00 0.00 H new ATOM 0 HD2 LYS A 47 11.530 -9.501 -3.872 1.00 0.00 H new ATOM 0 HD3 LYS A 47 11.179 -8.151 -4.932 1.00 0.00 H new ATOM 0 HE2 LYS A 47 9.156 -7.631 -3.822 1.00 0.00 H new ATOM 0 HE3 LYS A 47 9.023 -9.224 -3.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 9.704 -7.808 -1.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 11.117 -8.639 -1.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 10.877 -7.038 -2.347 1.00 0.00 H new ATOM 749 N ASN A 48 7.308 -9.119 -8.540 1.00 0.00 N ATOM 750 CA ASN A 48 6.713 -8.866 -9.847 1.00 0.00 C ATOM 751 C ASN A 48 5.403 -8.096 -9.708 1.00 0.00 C ATOM 752 O ASN A 48 4.900 -7.526 -10.677 1.00 0.00 O ATOM 753 CB ASN A 48 6.467 -10.185 -10.582 1.00 0.00 C ATOM 754 CG ASN A 48 5.550 -10.018 -11.778 1.00 0.00 C ATOM 755 OD1 ASN A 48 5.807 -9.202 -12.663 1.00 0.00 O ATOM 756 ND2 ASN A 48 4.471 -10.793 -11.810 1.00 0.00 N ATOM 0 H ASN A 48 7.545 -10.096 -8.367 1.00 0.00 H new ATOM 0 HA ASN A 48 7.410 -8.260 -10.425 1.00 0.00 H new ATOM 0 HB2 ASN A 48 7.420 -10.596 -10.913 1.00 0.00 H new ATOM 0 HB3 ASN A 48 6.031 -10.907 -9.891 1.00 0.00 H new ATOM 0 HD21 ASN A 48 3.817 -10.725 -12.590 1.00 0.00 H new ATOM 0 HD22 ASN A 48 4.297 -11.456 -11.055 1.00 0.00 H new ATOM 763 N LEU A 49 4.856 -8.083 -8.498 1.00 0.00 N ATOM 764 CA LEU A 49 3.605 -7.382 -8.231 1.00 0.00 C ATOM 765 C LEU A 49 3.646 -5.963 -8.790 1.00 0.00 C ATOM 766 O LEU A 49 2.779 -5.568 -9.570 1.00 0.00 O ATOM 767 CB LEU A 49 3.331 -7.342 -6.727 1.00 0.00 C ATOM 768 CG LEU A 49 2.098 -6.549 -6.290 1.00 0.00 C ATOM 769 CD1 LEU A 49 0.934 -6.809 -7.234 1.00 0.00 C ATOM 770 CD2 LEU A 49 1.717 -6.901 -4.860 1.00 0.00 C ATOM 0 H LEU A 49 5.259 -8.550 -7.686 1.00 0.00 H new ATOM 0 HA LEU A 49 2.800 -7.925 -8.726 1.00 0.00 H new ATOM 0 HB2 LEU A 49 3.225 -8.366 -6.370 1.00 0.00 H new ATOM 0 HB3 LEU A 49 4.205 -6.920 -6.230 1.00 0.00 H new ATOM 0 HG LEU A 49 2.340 -5.487 -6.329 1.00 0.00 H new ATOM 0 HD11 LEU A 49 0.066 -6.237 -6.907 1.00 0.00 H new ATOM 0 HD12 LEU A 49 1.210 -6.505 -8.244 1.00 0.00 H new ATOM 0 HD13 LEU A 49 0.691 -7.872 -7.228 1.00 0.00 H new ATOM 0 HD21 LEU A 49 0.838 -6.327 -4.566 1.00 0.00 H new ATOM 0 HD22 LEU A 49 1.494 -7.966 -4.794 1.00 0.00 H new ATOM 0 HD23 LEU A 49 2.546 -6.662 -4.193 1.00 0.00 H new ATOM 782 N ILE A 50 4.659 -5.203 -8.387 1.00 0.00 N ATOM 783 CA ILE A 50 4.814 -3.830 -8.850 1.00 0.00 C ATOM 784 C ILE A 50 4.626 -3.734 -10.360 1.00 0.00 C ATOM 785 O ILE A 50 4.265 -2.682 -10.887 1.00 0.00 O ATOM 786 CB ILE A 50 6.197 -3.264 -8.479 1.00 0.00 C ATOM 787 CG1 ILE A 50 6.220 -1.746 -8.673 1.00 0.00 C ATOM 788 CG2 ILE A 50 7.282 -3.926 -9.315 1.00 0.00 C ATOM 789 CD1 ILE A 50 5.521 -0.985 -7.568 1.00 0.00 C ATOM 0 H ILE A 50 5.384 -5.515 -7.741 1.00 0.00 H new ATOM 0 HA ILE A 50 4.044 -3.241 -8.353 1.00 0.00 H new ATOM 0 HB ILE A 50 6.392 -3.481 -7.429 1.00 0.00 H new ATOM 0 HG12 ILE A 50 7.256 -1.411 -8.735 1.00 0.00 H new ATOM 0 HG13 ILE A 50 5.749 -1.502 -9.625 1.00 0.00 H new ATOM 0 HG21 ILE A 50 8.254 -3.515 -9.041 1.00 0.00 H new ATOM 0 HG22 ILE A 50 7.278 -5.001 -9.132 1.00 0.00 H new ATOM 0 HG23 ILE A 50 7.093 -3.737 -10.372 1.00 0.00 H new ATOM 0 HD11 ILE A 50 5.577 0.084 -7.771 1.00 0.00 H new ATOM 0 HD12 ILE A 50 4.476 -1.291 -7.520 1.00 0.00 H new ATOM 0 HD13 ILE A 50 6.006 -1.199 -6.616 1.00 0.00 H new ATOM 801 N LYS A 51 4.871 -4.842 -11.052 1.00 0.00 N ATOM 802 CA LYS A 51 4.726 -4.886 -12.503 1.00 0.00 C ATOM 803 C LYS A 51 3.256 -4.973 -12.900 1.00 0.00 C ATOM 804 O LYS A 51 2.836 -4.377 -13.891 1.00 0.00 O ATOM 805 CB LYS A 51 5.493 -6.080 -13.076 1.00 0.00 C ATOM 806 CG LYS A 51 6.915 -6.197 -12.555 1.00 0.00 C ATOM 807 CD LYS A 51 7.814 -6.917 -13.546 1.00 0.00 C ATOM 808 CE LYS A 51 8.369 -5.962 -14.591 1.00 0.00 C ATOM 809 NZ LYS A 51 9.605 -6.495 -15.229 1.00 0.00 N ATOM 0 H LYS A 51 5.171 -5.722 -10.632 1.00 0.00 H new ATOM 0 HA LYS A 51 5.140 -3.965 -12.914 1.00 0.00 H new ATOM 0 HB2 LYS A 51 4.952 -6.996 -12.839 1.00 0.00 H new ATOM 0 HB3 LYS A 51 5.519 -5.997 -14.163 1.00 0.00 H new ATOM 0 HG2 LYS A 51 7.314 -5.202 -12.357 1.00 0.00 H new ATOM 0 HG3 LYS A 51 6.913 -6.735 -11.607 1.00 0.00 H new ATOM 0 HD2 LYS A 51 8.637 -7.393 -13.013 1.00 0.00 H new ATOM 0 HD3 LYS A 51 7.252 -7.710 -14.039 1.00 0.00 H new ATOM 0 HE2 LYS A 51 7.614 -5.782 -15.356 1.00 0.00 H new ATOM 0 HE3 LYS A 51 8.586 -5.001 -14.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 9.952 -5.815 -15.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 10.335 -6.643 -14.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 9.392 -7.400 -15.695 1.00 0.00 H new ATOM 823 N GLU A 52 2.480 -5.719 -12.120 1.00 0.00 N ATOM 824 CA GLU A 52 1.057 -5.882 -12.392 1.00 0.00 C ATOM 825 C GLU A 52 0.244 -4.783 -11.714 1.00 0.00 C ATOM 826 O GLU A 52 -0.927 -4.574 -12.034 1.00 0.00 O ATOM 827 CB GLU A 52 0.578 -7.254 -11.913 1.00 0.00 C ATOM 828 CG GLU A 52 1.569 -8.373 -12.184 1.00 0.00 C ATOM 829 CD GLU A 52 1.643 -8.745 -13.652 1.00 0.00 C ATOM 830 OE1 GLU A 52 0.622 -8.592 -14.354 1.00 0.00 O ATOM 831 OE2 GLU A 52 2.721 -9.190 -14.099 1.00 0.00 O ATOM 0 H GLU A 52 2.812 -6.219 -11.296 1.00 0.00 H new ATOM 0 HA GLU A 52 0.908 -5.808 -13.469 1.00 0.00 H new ATOM 0 HB2 GLU A 52 0.380 -7.207 -10.842 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -0.367 -7.491 -12.402 1.00 0.00 H new ATOM 0 HG2 GLU A 52 2.558 -8.069 -11.840 1.00 0.00 H new ATOM 0 HG3 GLU A 52 1.286 -9.252 -11.604 1.00 0.00 H new ATOM 838 N PHE A 53 0.873 -4.083 -10.776 1.00 0.00 N ATOM 839 CA PHE A 53 0.208 -3.006 -10.052 1.00 0.00 C ATOM 840 C PHE A 53 -0.168 -1.867 -10.995 1.00 0.00 C ATOM 841 O PHE A 53 0.697 -1.249 -11.617 1.00 0.00 O ATOM 842 CB PHE A 53 1.112 -2.480 -8.935 1.00 0.00 C ATOM 843 CG PHE A 53 0.664 -1.162 -8.371 1.00 0.00 C ATOM 844 CD1 PHE A 53 -0.240 -1.113 -7.322 1.00 0.00 C ATOM 845 CD2 PHE A 53 1.146 0.028 -8.890 1.00 0.00 C ATOM 846 CE1 PHE A 53 -0.654 0.098 -6.800 1.00 0.00 C ATOM 847 CE2 PHE A 53 0.736 1.243 -8.373 1.00 0.00 C ATOM 848 CZ PHE A 53 -0.166 1.277 -7.327 1.00 0.00 C ATOM 0 H PHE A 53 1.842 -4.242 -10.499 1.00 0.00 H new ATOM 0 HA PHE A 53 -0.705 -3.407 -9.613 1.00 0.00 H new ATOM 0 HB2 PHE A 53 1.149 -3.216 -8.132 1.00 0.00 H new ATOM 0 HB3 PHE A 53 2.127 -2.376 -9.319 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -0.626 -2.032 -6.907 1.00 0.00 H new ATOM 0 HD2 PHE A 53 1.851 0.007 -9.708 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -1.358 0.122 -5.981 1.00 0.00 H new ATOM 0 HE2 PHE A 53 1.120 2.164 -8.786 1.00 0.00 H new ATOM 0 HZ PHE A 53 -0.489 2.225 -6.922 1.00 0.00 H new ATOM 858 N LYS A 54 -1.464 -1.594 -11.097 1.00 0.00 N ATOM 859 CA LYS A 54 -1.957 -0.530 -11.963 1.00 0.00 C ATOM 860 C LYS A 54 -2.287 0.721 -11.154 1.00 0.00 C ATOM 861 O LYS A 54 -1.980 1.838 -11.570 1.00 0.00 O ATOM 862 CB LYS A 54 -3.199 -0.999 -12.725 1.00 0.00 C ATOM 863 CG LYS A 54 -3.544 -0.127 -13.920 1.00 0.00 C ATOM 864 CD LYS A 54 -4.929 -0.443 -14.459 1.00 0.00 C ATOM 865 CE LYS A 54 -5.533 0.752 -15.181 1.00 0.00 C ATOM 866 NZ LYS A 54 -4.752 1.120 -16.394 1.00 0.00 N ATOM 0 H LYS A 54 -2.193 -2.096 -10.590 1.00 0.00 H new ATOM 0 HA LYS A 54 -1.171 -0.283 -12.677 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -3.041 -2.022 -13.066 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -4.048 -1.018 -12.042 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -3.496 0.923 -13.631 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -2.804 -0.276 -14.706 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -4.870 -1.290 -15.142 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -5.581 -0.741 -13.638 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -6.560 0.523 -15.466 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -5.573 1.604 -14.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -5.205 1.928 -16.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -3.784 1.379 -16.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -4.721 0.310 -17.046 1.00 0.00 H new ATOM 880 N TYR A 55 -2.911 0.525 -9.998 1.00 0.00 N ATOM 881 CA TYR A 55 -3.282 1.637 -9.132 1.00 0.00 C ATOM 882 C TYR A 55 -3.651 1.142 -7.737 1.00 0.00 C ATOM 883 O TYR A 55 -3.793 -0.059 -7.510 1.00 0.00 O ATOM 884 CB TYR A 55 -4.454 2.413 -9.737 1.00 0.00 C ATOM 885 CG TYR A 55 -5.697 1.574 -9.935 1.00 0.00 C ATOM 886 CD1 TYR A 55 -5.904 0.872 -11.116 1.00 0.00 C ATOM 887 CD2 TYR A 55 -6.664 1.485 -8.941 1.00 0.00 C ATOM 888 CE1 TYR A 55 -7.038 0.105 -11.301 1.00 0.00 C ATOM 889 CE2 TYR A 55 -7.800 0.720 -9.118 1.00 0.00 C ATOM 890 CZ TYR A 55 -7.983 0.032 -10.299 1.00 0.00 C ATOM 891 OH TYR A 55 -9.114 -0.731 -10.480 1.00 0.00 O ATOM 0 H TYR A 55 -3.170 -0.394 -9.639 1.00 0.00 H new ATOM 0 HA TYR A 55 -2.421 2.300 -9.046 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -4.694 3.256 -9.089 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -4.148 2.827 -10.698 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -5.166 0.927 -11.903 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -6.525 2.023 -8.015 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -7.184 -0.435 -12.225 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -8.542 0.661 -8.335 1.00 0.00 H new ATOM 0 HH TYR A 55 -9.677 -0.676 -9.680 1.00 0.00 H new ATOM 901 N ALA A 56 -3.806 2.077 -6.806 1.00 0.00 N ATOM 902 CA ALA A 56 -4.161 1.738 -5.434 1.00 0.00 C ATOM 903 C ALA A 56 -5.284 2.633 -4.920 1.00 0.00 C ATOM 904 O ALA A 56 -5.219 3.858 -5.038 1.00 0.00 O ATOM 905 CB ALA A 56 -2.942 1.846 -4.531 1.00 0.00 C ATOM 0 H ALA A 56 -3.691 3.076 -6.977 1.00 0.00 H new ATOM 0 HA ALA A 56 -4.518 0.708 -5.421 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.222 1.590 -3.509 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -2.170 1.159 -4.878 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -2.559 2.866 -4.557 1.00 0.00 H new ATOM 911 N LEU A 57 -6.312 2.016 -4.350 1.00 0.00 N ATOM 912 CA LEU A 57 -7.450 2.758 -3.817 1.00 0.00 C ATOM 913 C LEU A 57 -7.302 2.978 -2.315 1.00 0.00 C ATOM 914 O LEU A 57 -7.747 2.160 -1.510 1.00 0.00 O ATOM 915 CB LEU A 57 -8.753 2.010 -4.109 1.00 0.00 C ATOM 916 CG LEU A 57 -9.045 1.719 -5.581 1.00 0.00 C ATOM 917 CD1 LEU A 57 -10.112 0.644 -5.712 1.00 0.00 C ATOM 918 CD2 LEU A 57 -9.475 2.990 -6.300 1.00 0.00 C ATOM 0 H LEU A 57 -6.382 1.004 -4.245 1.00 0.00 H new ATOM 0 HA LEU A 57 -7.479 3.732 -4.306 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -8.734 1.063 -3.569 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -9.581 2.591 -3.703 1.00 0.00 H new ATOM 0 HG LEU A 57 -8.131 1.352 -6.047 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -10.306 0.451 -6.767 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -9.766 -0.272 -5.233 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -11.030 0.982 -5.230 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -9.679 2.765 -7.347 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -10.376 3.386 -5.832 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -8.678 3.731 -6.237 1.00 0.00 H new ATOM 930 N VAL A 58 -6.677 4.091 -1.945 1.00 0.00 N ATOM 931 CA VAL A 58 -6.473 4.422 -0.539 1.00 0.00 C ATOM 932 C VAL A 58 -7.769 4.900 0.106 1.00 0.00 C ATOM 933 O VAL A 58 -8.524 5.669 -0.489 1.00 0.00 O ATOM 934 CB VAL A 58 -5.396 5.509 -0.369 1.00 0.00 C ATOM 935 CG1 VAL A 58 -5.006 5.650 1.094 1.00 0.00 C ATOM 936 CG2 VAL A 58 -4.179 5.192 -1.225 1.00 0.00 C ATOM 0 H VAL A 58 -6.303 4.779 -2.599 1.00 0.00 H new ATOM 0 HA VAL A 58 -6.139 3.510 -0.044 1.00 0.00 H new ATOM 0 HB VAL A 58 -5.809 6.460 -0.704 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -4.244 6.423 1.195 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -5.883 5.927 1.679 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -4.611 4.702 1.458 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -3.428 5.971 -1.092 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -3.762 4.231 -0.923 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -4.473 5.147 -2.273 1.00 0.00 H new ATOM 946 N TRP A 59 -8.020 4.441 1.326 1.00 0.00 N ATOM 947 CA TRP A 59 -9.225 4.822 2.054 1.00 0.00 C ATOM 948 C TRP A 59 -8.878 5.360 3.437 1.00 0.00 C ATOM 949 O TRP A 59 -8.795 4.605 4.405 1.00 0.00 O ATOM 950 CB TRP A 59 -10.170 3.626 2.180 1.00 0.00 C ATOM 951 CG TRP A 59 -10.900 3.309 0.910 1.00 0.00 C ATOM 952 CD1 TRP A 59 -11.965 3.984 0.386 1.00 0.00 C ATOM 953 CD2 TRP A 59 -10.619 2.235 0.006 1.00 0.00 C ATOM 954 NE1 TRP A 59 -12.363 3.395 -0.789 1.00 0.00 N ATOM 955 CE2 TRP A 59 -11.553 2.320 -1.045 1.00 0.00 C ATOM 956 CE3 TRP A 59 -9.668 1.211 -0.020 1.00 0.00 C ATOM 957 CZ2 TRP A 59 -11.563 1.420 -2.107 1.00 0.00 C ATOM 958 CZ3 TRP A 59 -9.680 0.318 -1.074 1.00 0.00 C ATOM 959 CH2 TRP A 59 -10.621 0.427 -2.106 1.00 0.00 C ATOM 0 H TRP A 59 -7.405 3.804 1.833 1.00 0.00 H new ATOM 0 HA TRP A 59 -9.724 5.612 1.492 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -9.598 2.751 2.490 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -10.896 3.827 2.967 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -12.427 4.853 0.830 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -13.136 3.707 -1.376 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -8.937 1.120 0.770 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -12.288 1.502 -2.903 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -8.951 -0.478 -1.103 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -10.603 -0.286 -2.917 1.00 0.00 H new ATOM 970 N GLY A 60 -8.678 6.672 3.525 1.00 0.00 N ATOM 971 CA GLY A 60 -8.343 7.288 4.795 1.00 0.00 C ATOM 972 C GLY A 60 -8.356 8.802 4.727 1.00 0.00 C ATOM 973 O GLY A 60 -9.047 9.387 3.892 1.00 0.00 O ATOM 0 H GLY A 60 -8.742 7.319 2.739 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -9.051 6.956 5.554 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -7.356 6.950 5.110 1.00 0.00 H new ATOM 977 N LEU A 61 -7.593 9.440 5.608 1.00 0.00 N ATOM 978 CA LEU A 61 -7.520 10.896 5.645 1.00 0.00 C ATOM 979 C LEU A 61 -6.453 11.413 4.686 1.00 0.00 C ATOM 980 O LEU A 61 -6.586 12.498 4.120 1.00 0.00 O ATOM 981 CB LEU A 61 -7.220 11.375 7.066 1.00 0.00 C ATOM 982 CG LEU A 61 -8.136 10.834 8.165 1.00 0.00 C ATOM 983 CD1 LEU A 61 -7.421 10.841 9.507 1.00 0.00 C ATOM 984 CD2 LEU A 61 -9.420 11.647 8.237 1.00 0.00 C ATOM 0 H LEU A 61 -7.016 8.971 6.306 1.00 0.00 H new ATOM 0 HA LEU A 61 -8.486 11.291 5.331 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -6.193 11.103 7.310 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -7.273 12.464 7.080 1.00 0.00 H new ATOM 0 HG LEU A 61 -8.396 9.804 7.921 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -8.088 10.453 10.277 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -6.531 10.214 9.448 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -7.131 11.861 9.759 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -10.060 11.248 9.024 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -9.180 12.687 8.457 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -9.941 11.589 7.282 1.00 0.00 H new ATOM 996 N SER A 62 -5.396 10.628 4.506 1.00 0.00 N ATOM 997 CA SER A 62 -4.304 11.007 3.617 1.00 0.00 C ATOM 998 C SER A 62 -4.843 11.590 2.314 1.00 0.00 C ATOM 999 O SER A 62 -4.210 12.444 1.693 1.00 0.00 O ATOM 1000 CB SER A 62 -3.417 9.797 3.319 1.00 0.00 C ATOM 1001 OG SER A 62 -4.090 8.862 2.494 1.00 0.00 O ATOM 0 H SER A 62 -5.272 9.725 4.964 1.00 0.00 H new ATOM 0 HA SER A 62 -3.708 11.770 4.118 1.00 0.00 H new ATOM 0 HB2 SER A 62 -2.501 10.126 2.829 1.00 0.00 H new ATOM 0 HB3 SER A 62 -3.124 9.318 4.253 1.00 0.00 H new ATOM 0 HG SER A 62 -3.456 8.181 2.186 1.00 0.00 H new ATOM 1007 N VAL A 63 -6.018 11.122 1.904 1.00 0.00 N ATOM 1008 CA VAL A 63 -6.644 11.596 0.676 1.00 0.00 C ATOM 1009 C VAL A 63 -7.941 12.340 0.973 1.00 0.00 C ATOM 1010 O VAL A 63 -8.777 11.870 1.745 1.00 0.00 O ATOM 1011 CB VAL A 63 -6.941 10.432 -0.288 1.00 0.00 C ATOM 1012 CG1 VAL A 63 -5.659 9.701 -0.655 1.00 0.00 C ATOM 1013 CG2 VAL A 63 -7.952 9.476 0.327 1.00 0.00 C ATOM 0 H VAL A 63 -6.555 10.415 2.405 1.00 0.00 H new ATOM 0 HA VAL A 63 -5.938 12.278 0.203 1.00 0.00 H new ATOM 0 HB VAL A 63 -7.371 10.841 -1.202 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -5.889 8.882 -1.337 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -4.971 10.394 -1.140 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -5.196 9.302 0.248 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -8.150 8.660 -0.368 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -7.552 9.072 1.257 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -8.879 10.010 0.533 1.00 0.00 H new ATOM 1023 N LYS A 64 -8.104 13.504 0.353 1.00 0.00 N ATOM 1024 CA LYS A 64 -9.301 14.314 0.548 1.00 0.00 C ATOM 1025 C LYS A 64 -10.552 13.543 0.141 1.00 0.00 C ATOM 1026 O LYS A 64 -11.519 13.464 0.900 1.00 0.00 O ATOM 1027 CB LYS A 64 -9.202 15.609 -0.261 1.00 0.00 C ATOM 1028 CG LYS A 64 -8.591 16.765 0.513 1.00 0.00 C ATOM 1029 CD LYS A 64 -7.815 17.700 -0.399 1.00 0.00 C ATOM 1030 CE LYS A 64 -8.701 18.808 -0.947 1.00 0.00 C ATOM 1031 NZ LYS A 64 -8.734 19.990 -0.043 1.00 0.00 N ATOM 0 H LYS A 64 -7.422 13.908 -0.289 1.00 0.00 H new ATOM 0 HA LYS A 64 -9.375 14.559 1.608 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -8.605 15.425 -1.154 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -10.199 15.894 -0.597 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -9.379 17.321 1.020 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -7.928 16.376 1.286 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -6.982 18.138 0.151 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -7.388 17.132 -1.226 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -8.337 19.112 -1.929 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -9.713 18.428 -1.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -9.348 20.723 -0.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -9.105 19.706 0.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -7.772 20.368 0.069 1.00 0.00 H new ATOM 1045 N HIS A 65 -10.527 12.974 -1.060 1.00 0.00 N ATOM 1046 CA HIS A 65 -11.660 12.207 -1.566 1.00 0.00 C ATOM 1047 C HIS A 65 -11.308 10.726 -1.675 1.00 0.00 C ATOM 1048 O HIS A 65 -10.149 10.368 -1.883 1.00 0.00 O ATOM 1049 CB HIS A 65 -12.096 12.741 -2.931 1.00 0.00 C ATOM 1050 CG HIS A 65 -12.115 14.236 -3.010 1.00 0.00 C ATOM 1051 ND1 HIS A 65 -13.237 14.990 -2.737 1.00 0.00 N ATOM 1052 CD2 HIS A 65 -11.140 15.118 -3.333 1.00 0.00 C ATOM 1053 CE1 HIS A 65 -12.952 16.271 -2.890 1.00 0.00 C ATOM 1054 NE2 HIS A 65 -11.685 16.376 -3.251 1.00 0.00 N ATOM 0 H HIS A 65 -9.735 13.029 -1.701 1.00 0.00 H new ATOM 0 HA HIS A 65 -12.484 12.316 -0.861 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -11.423 12.353 -3.696 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -13.091 12.360 -3.160 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -10.123 14.877 -3.605 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -13.638 17.093 -2.745 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -11.192 17.249 -3.438 1.00 0.00 H new ATOM 1063 N ASN A 66 -12.315 9.871 -1.532 1.00 0.00 N ATOM 1064 CA ASN A 66 -12.111 8.429 -1.614 1.00 0.00 C ATOM 1065 C ASN A 66 -13.320 7.744 -2.243 1.00 0.00 C ATOM 1066 O ASN A 66 -14.456 8.203 -2.126 1.00 0.00 O ATOM 1067 CB ASN A 66 -11.850 7.851 -0.221 1.00 0.00 C ATOM 1068 CG ASN A 66 -11.181 8.850 0.703 1.00 0.00 C ATOM 1069 OD1 ASN A 66 -11.604 10.002 0.800 1.00 0.00 O ATOM 1070 ND2 ASN A 66 -10.132 8.411 1.388 1.00 0.00 N ATOM 0 H ASN A 66 -13.280 10.151 -1.359 1.00 0.00 H new ATOM 0 HA ASN A 66 -11.242 8.244 -2.246 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -12.794 7.529 0.219 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -11.221 6.965 -0.310 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -9.642 9.037 2.027 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -9.817 7.448 1.276 1.00 0.00 H new ATOM 1077 N PRO A 67 -13.072 6.617 -2.927 1.00 0.00 N ATOM 1078 CA PRO A 67 -11.723 6.061 -3.073 1.00 0.00 C ATOM 1079 C PRO A 67 -10.838 6.917 -3.972 1.00 0.00 C ATOM 1080 O PRO A 67 -11.316 7.533 -4.924 1.00 0.00 O ATOM 1081 CB PRO A 67 -11.971 4.693 -3.714 1.00 0.00 C ATOM 1082 CG PRO A 67 -13.270 4.840 -4.429 1.00 0.00 C ATOM 1083 CD PRO A 67 -14.088 5.799 -3.610 1.00 0.00 C ATOM 0 HA PRO A 67 -11.197 6.012 -2.120 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -11.168 4.427 -4.402 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -12.020 3.906 -2.961 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -13.118 5.221 -5.439 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -13.775 3.878 -4.523 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -14.740 6.408 -4.237 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -14.727 5.276 -2.899 1.00 0.00 H new ATOM 1091 N GLN A 68 -9.545 6.950 -3.663 1.00 0.00 N ATOM 1092 CA GLN A 68 -8.594 7.732 -4.443 1.00 0.00 C ATOM 1093 C GLN A 68 -7.637 6.822 -5.206 1.00 0.00 C ATOM 1094 O GLN A 68 -7.065 5.890 -4.640 1.00 0.00 O ATOM 1095 CB GLN A 68 -7.803 8.672 -3.531 1.00 0.00 C ATOM 1096 CG GLN A 68 -6.748 9.485 -4.262 1.00 0.00 C ATOM 1097 CD GLN A 68 -6.447 10.803 -3.576 1.00 0.00 C ATOM 1098 OE1 GLN A 68 -5.235 10.934 -3.051 1.00 0.00 O flip ATOM 1099 NE2 GLN A 68 -7.296 11.694 -3.519 1.00 0.00 N flip ATOM 0 H GLN A 68 -9.133 6.445 -2.879 1.00 0.00 H new ATOM 0 HA GLN A 68 -9.156 8.325 -5.164 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -8.496 9.353 -3.036 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -7.320 8.085 -2.750 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -5.831 8.900 -4.336 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -7.085 9.679 -5.280 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -8.215 11.550 -3.937 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -7.079 12.576 -3.054 1.00 0.00 H new ATOM 1108 N LYS A 69 -7.468 7.097 -6.495 1.00 0.00 N ATOM 1109 CA LYS A 69 -6.580 6.303 -7.337 1.00 0.00 C ATOM 1110 C LYS A 69 -5.157 6.851 -7.294 1.00 0.00 C ATOM 1111 O LYS A 69 -4.879 7.928 -7.822 1.00 0.00 O ATOM 1112 CB LYS A 69 -7.089 6.290 -8.780 1.00 0.00 C ATOM 1113 CG LYS A 69 -6.694 5.043 -9.553 1.00 0.00 C ATOM 1114 CD LYS A 69 -7.326 5.019 -10.934 1.00 0.00 C ATOM 1115 CE LYS A 69 -6.876 3.806 -11.733 1.00 0.00 C ATOM 1116 NZ LYS A 69 -6.854 4.082 -13.196 1.00 0.00 N ATOM 0 H LYS A 69 -7.934 7.864 -6.980 1.00 0.00 H new ATOM 0 HA LYS A 69 -6.570 5.283 -6.952 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -8.176 6.375 -8.774 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -6.704 7.167 -9.300 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -5.609 5.001 -9.648 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -7.000 4.157 -8.997 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -8.412 5.010 -10.838 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -7.061 5.929 -11.472 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -5.881 3.504 -11.405 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -7.545 2.970 -11.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -6.811 3.184 -13.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -7.716 4.598 -13.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -6.020 4.658 -13.428 1.00 0.00 H new ATOM 1130 N VAL A 70 -4.258 6.101 -6.664 1.00 0.00 N ATOM 1131 CA VAL A 70 -2.863 6.511 -6.555 1.00 0.00 C ATOM 1132 C VAL A 70 -1.957 5.596 -7.371 1.00 0.00 C ATOM 1133 O VAL A 70 -2.381 4.541 -7.839 1.00 0.00 O ATOM 1134 CB VAL A 70 -2.390 6.508 -5.089 1.00 0.00 C ATOM 1135 CG1 VAL A 70 -3.314 7.356 -4.228 1.00 0.00 C ATOM 1136 CG2 VAL A 70 -2.310 5.085 -4.558 1.00 0.00 C ATOM 0 H VAL A 70 -4.471 5.207 -6.222 1.00 0.00 H new ATOM 0 HA VAL A 70 -2.799 7.526 -6.948 1.00 0.00 H new ATOM 0 HB VAL A 70 -1.392 6.944 -5.047 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -2.964 7.342 -3.196 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -3.315 8.382 -4.597 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -4.326 6.953 -4.274 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -1.974 5.102 -3.521 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -3.294 4.620 -4.613 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -1.604 4.512 -5.159 1.00 0.00 H new ATOM 1146 N GLY A 71 -0.704 6.009 -7.538 1.00 0.00 N ATOM 1147 CA GLY A 71 0.244 5.215 -8.298 1.00 0.00 C ATOM 1148 C GLY A 71 1.200 4.445 -7.408 1.00 0.00 C ATOM 1149 O GLY A 71 0.830 4.005 -6.320 1.00 0.00 O ATOM 0 H GLY A 71 -0.329 6.879 -7.161 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -0.299 4.516 -8.933 1.00 0.00 H new ATOM 0 HA3 GLY A 71 0.814 5.869 -8.958 1.00 0.00 H new ATOM 1153 N LYS A 72 2.435 4.281 -7.872 1.00 0.00 N ATOM 1154 CA LYS A 72 3.449 3.560 -7.112 1.00 0.00 C ATOM 1155 C LYS A 72 4.360 4.528 -6.366 1.00 0.00 C ATOM 1156 O LYS A 72 5.175 4.115 -5.540 1.00 0.00 O ATOM 1157 CB LYS A 72 4.280 2.675 -8.044 1.00 0.00 C ATOM 1158 CG LYS A 72 5.042 3.454 -9.102 1.00 0.00 C ATOM 1159 CD LYS A 72 6.330 2.749 -9.493 1.00 0.00 C ATOM 1160 CE LYS A 72 6.790 3.159 -10.884 1.00 0.00 C ATOM 1161 NZ LYS A 72 8.272 3.100 -11.018 1.00 0.00 N ATOM 0 H LYS A 72 2.757 4.638 -8.771 1.00 0.00 H new ATOM 0 HA LYS A 72 2.941 2.931 -6.381 1.00 0.00 H new ATOM 0 HB2 LYS A 72 4.988 2.099 -7.449 1.00 0.00 H new ATOM 0 HB3 LYS A 72 3.621 1.960 -8.536 1.00 0.00 H new ATOM 0 HG2 LYS A 72 4.414 3.582 -9.984 1.00 0.00 H new ATOM 0 HG3 LYS A 72 5.271 4.451 -8.726 1.00 0.00 H new ATOM 0 HD2 LYS A 72 7.109 2.983 -8.767 1.00 0.00 H new ATOM 0 HD3 LYS A 72 6.179 1.670 -9.462 1.00 0.00 H new ATOM 0 HE2 LYS A 72 6.332 2.504 -11.626 1.00 0.00 H new ATOM 0 HE3 LYS A 72 6.446 4.171 -11.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 8.545 3.387 -11.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 8.709 3.744 -10.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 8.598 2.129 -10.840 1.00 0.00 H new ATOM 1175 N ASP A 73 4.217 5.815 -6.660 1.00 0.00 N ATOM 1176 CA ASP A 73 5.026 6.842 -6.014 1.00 0.00 C ATOM 1177 C ASP A 73 4.274 7.472 -4.846 1.00 0.00 C ATOM 1178 O ASP A 73 4.853 8.206 -4.044 1.00 0.00 O ATOM 1179 CB ASP A 73 5.421 7.920 -7.024 1.00 0.00 C ATOM 1180 CG ASP A 73 4.389 9.027 -7.123 1.00 0.00 C ATOM 1181 OD1 ASP A 73 4.419 9.943 -6.274 1.00 0.00 O ATOM 1182 OD2 ASP A 73 3.551 8.977 -8.047 1.00 0.00 O ATOM 0 H ASP A 73 3.548 6.173 -7.342 1.00 0.00 H new ATOM 0 HA ASP A 73 5.929 6.369 -5.628 1.00 0.00 H new ATOM 0 HB2 ASP A 73 6.382 8.348 -6.738 1.00 0.00 H new ATOM 0 HB3 ASP A 73 5.555 7.463 -8.005 1.00 0.00 H new ATOM 1187 N HIS A 74 2.979 7.182 -4.757 1.00 0.00 N ATOM 1188 CA HIS A 74 2.147 7.721 -3.688 1.00 0.00 C ATOM 1189 C HIS A 74 2.588 7.180 -2.331 1.00 0.00 C ATOM 1190 O HIS A 74 2.701 5.969 -2.140 1.00 0.00 O ATOM 1191 CB HIS A 74 0.678 7.377 -3.934 1.00 0.00 C ATOM 1192 CG HIS A 74 -0.221 7.735 -2.790 1.00 0.00 C ATOM 1193 ND1 HIS A 74 -0.751 8.996 -2.615 1.00 0.00 N ATOM 1194 CD2 HIS A 74 -0.683 6.988 -1.760 1.00 0.00 C ATOM 1195 CE1 HIS A 74 -1.500 9.009 -1.527 1.00 0.00 C ATOM 1196 NE2 HIS A 74 -1.476 7.803 -0.990 1.00 0.00 N ATOM 0 H HIS A 74 2.484 6.577 -5.412 1.00 0.00 H new ATOM 0 HA HIS A 74 2.263 8.805 -3.682 1.00 0.00 H new ATOM 0 HB2 HIS A 74 0.337 7.896 -4.830 1.00 0.00 H new ATOM 0 HB3 HIS A 74 0.592 6.309 -4.133 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -0.468 5.945 -1.578 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -2.040 9.861 -1.142 1.00 0.00 H new ATOM 0 HE2 HIS A 74 -1.967 7.522 -0.141 1.00 0.00 H new ATOM 1205 N THR A 75 2.837 8.087 -1.391 1.00 0.00 N ATOM 1206 CA THR A 75 3.268 7.701 -0.053 1.00 0.00 C ATOM 1207 C THR A 75 2.096 7.189 0.776 1.00 0.00 C ATOM 1208 O THR A 75 1.012 7.773 0.764 1.00 0.00 O ATOM 1209 CB THR A 75 3.928 8.880 0.686 1.00 0.00 C ATOM 1210 OG1 THR A 75 4.955 9.457 -0.129 1.00 0.00 O ATOM 1211 CG2 THR A 75 4.522 8.425 2.011 1.00 0.00 C ATOM 0 H THR A 75 2.748 9.093 -1.532 1.00 0.00 H new ATOM 0 HA THR A 75 4.000 6.902 -0.175 1.00 0.00 H new ATOM 0 HB THR A 75 3.161 9.628 0.887 1.00 0.00 H new ATOM 0 HG1 THR A 75 5.368 10.207 0.348 1.00 0.00 H new ATOM 0 HG21 THR A 75 4.982 9.275 2.514 1.00 0.00 H new ATOM 0 HG22 THR A 75 3.733 8.014 2.641 1.00 0.00 H new ATOM 0 HG23 THR A 75 5.276 7.660 1.828 1.00 0.00 H new ATOM 1219 N LEU A 76 2.319 6.095 1.495 1.00 0.00 N ATOM 1220 CA LEU A 76 1.281 5.503 2.332 1.00 0.00 C ATOM 1221 C LEU A 76 1.258 6.153 3.712 1.00 0.00 C ATOM 1222 O LEU A 76 2.268 6.680 4.177 1.00 0.00 O ATOM 1223 CB LEU A 76 1.505 3.996 2.469 1.00 0.00 C ATOM 1224 CG LEU A 76 1.017 3.137 1.302 1.00 0.00 C ATOM 1225 CD1 LEU A 76 1.565 1.723 1.415 1.00 0.00 C ATOM 1226 CD2 LEU A 76 -0.504 3.118 1.253 1.00 0.00 C ATOM 0 H LEU A 76 3.210 5.599 1.515 1.00 0.00 H new ATOM 0 HA LEU A 76 0.318 5.678 1.852 1.00 0.00 H new ATOM 0 HB2 LEU A 76 2.572 3.818 2.604 1.00 0.00 H new ATOM 0 HB3 LEU A 76 1.008 3.656 3.377 1.00 0.00 H new ATOM 0 HG LEU A 76 1.385 3.575 0.374 1.00 0.00 H new ATOM 0 HD11 LEU A 76 1.207 1.126 0.576 1.00 0.00 H new ATOM 0 HD12 LEU A 76 2.654 1.753 1.401 1.00 0.00 H new ATOM 0 HD13 LEU A 76 1.227 1.275 2.349 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -0.833 2.502 0.416 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -0.893 2.704 2.183 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -0.877 4.134 1.124 1.00 0.00 H new ATOM 1238 N GLU A 77 0.099 6.109 4.361 1.00 0.00 N ATOM 1239 CA GLU A 77 -0.055 6.692 5.689 1.00 0.00 C ATOM 1240 C GLU A 77 -0.470 5.632 6.705 1.00 0.00 C ATOM 1241 O GLU A 77 -0.992 4.578 6.340 1.00 0.00 O ATOM 1242 CB GLU A 77 -1.090 7.818 5.659 1.00 0.00 C ATOM 1243 CG GLU A 77 -0.518 9.160 5.231 1.00 0.00 C ATOM 1244 CD GLU A 77 0.393 9.766 6.280 1.00 0.00 C ATOM 1245 OE1 GLU A 77 1.574 9.364 6.343 1.00 0.00 O ATOM 1246 OE2 GLU A 77 -0.073 10.643 7.037 1.00 0.00 O ATOM 0 H GLU A 77 -0.747 5.676 3.989 1.00 0.00 H new ATOM 0 HA GLU A 77 0.909 7.102 5.991 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -1.895 7.542 4.978 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -1.532 7.920 6.650 1.00 0.00 H new ATOM 0 HG2 GLU A 77 0.037 9.034 4.302 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -1.336 9.850 5.023 1.00 0.00 H new ATOM 1253 N ASP A 78 -0.233 5.918 7.980 1.00 0.00 N ATOM 1254 CA ASP A 78 -0.582 4.990 9.050 1.00 0.00 C ATOM 1255 C ASP A 78 -2.095 4.830 9.158 1.00 0.00 C ATOM 1256 O ASP A 78 -2.847 5.771 8.907 1.00 0.00 O ATOM 1257 CB ASP A 78 -0.012 5.477 10.383 1.00 0.00 C ATOM 1258 CG ASP A 78 -0.078 4.416 11.463 1.00 0.00 C ATOM 1259 OD1 ASP A 78 -0.685 3.353 11.214 1.00 0.00 O ATOM 1260 OD2 ASP A 78 0.475 4.648 12.558 1.00 0.00 O ATOM 0 H ASP A 78 0.199 6.785 8.298 1.00 0.00 H new ATOM 0 HA ASP A 78 -0.148 4.019 8.811 1.00 0.00 H new ATOM 0 HB2 ASP A 78 1.025 5.783 10.241 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -0.563 6.359 10.710 1.00 0.00 H new ATOM 1265 N GLU A 79 -2.533 3.632 9.531 1.00 0.00 N ATOM 1266 CA GLU A 79 -3.957 3.349 9.670 1.00 0.00 C ATOM 1267 C GLU A 79 -4.708 3.696 8.388 1.00 0.00 C ATOM 1268 O GLU A 79 -5.703 4.421 8.415 1.00 0.00 O ATOM 1269 CB GLU A 79 -4.543 4.134 10.846 1.00 0.00 C ATOM 1270 CG GLU A 79 -3.729 4.015 12.123 1.00 0.00 C ATOM 1271 CD GLU A 79 -4.417 4.654 13.314 1.00 0.00 C ATOM 1272 OE1 GLU A 79 -5.594 4.324 13.568 1.00 0.00 O ATOM 1273 OE2 GLU A 79 -3.776 5.484 13.993 1.00 0.00 O ATOM 0 H GLU A 79 -1.923 2.842 9.742 1.00 0.00 H new ATOM 0 HA GLU A 79 -4.073 2.282 9.861 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -4.617 5.186 10.569 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -5.557 3.783 11.037 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -3.546 2.962 12.336 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -2.756 4.484 11.975 1.00 0.00 H new ATOM 1280 N ASP A 80 -4.225 3.172 7.267 1.00 0.00 N ATOM 1281 CA ASP A 80 -4.850 3.425 5.973 1.00 0.00 C ATOM 1282 C ASP A 80 -5.010 2.130 5.184 1.00 0.00 C ATOM 1283 O ASP A 80 -4.145 1.255 5.226 1.00 0.00 O ATOM 1284 CB ASP A 80 -4.021 4.428 5.169 1.00 0.00 C ATOM 1285 CG ASP A 80 -4.241 5.857 5.623 1.00 0.00 C ATOM 1286 OD1 ASP A 80 -3.624 6.261 6.631 1.00 0.00 O ATOM 1287 OD2 ASP A 80 -5.030 6.572 4.971 1.00 0.00 O ATOM 0 H ASP A 80 -3.403 2.570 7.228 1.00 0.00 H new ATOM 0 HA ASP A 80 -5.840 3.845 6.152 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -2.964 4.179 5.263 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -4.276 4.342 4.113 1.00 0.00 H new ATOM 1292 N VAL A 81 -6.123 2.013 4.467 1.00 0.00 N ATOM 1293 CA VAL A 81 -6.397 0.824 3.668 1.00 0.00 C ATOM 1294 C VAL A 81 -6.062 1.060 2.200 1.00 0.00 C ATOM 1295 O VAL A 81 -6.330 2.131 1.655 1.00 0.00 O ATOM 1296 CB VAL A 81 -7.873 0.398 3.784 1.00 0.00 C ATOM 1297 CG1 VAL A 81 -8.114 -0.901 3.030 1.00 0.00 C ATOM 1298 CG2 VAL A 81 -8.273 0.258 5.245 1.00 0.00 C ATOM 0 H VAL A 81 -6.850 2.727 4.423 1.00 0.00 H new ATOM 0 HA VAL A 81 -5.764 0.027 4.059 1.00 0.00 H new ATOM 0 HB VAL A 81 -8.494 1.172 3.333 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -9.162 -1.187 3.123 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -7.868 -0.762 1.977 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -7.485 -1.687 3.449 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -9.319 -0.043 5.309 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -7.648 -0.497 5.723 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -8.139 1.214 5.752 1.00 0.00 H new ATOM 1308 N ILE A 82 -5.474 0.052 1.564 1.00 0.00 N ATOM 1309 CA ILE A 82 -5.103 0.148 0.158 1.00 0.00 C ATOM 1310 C ILE A 82 -5.514 -1.106 -0.606 1.00 0.00 C ATOM 1311 O ILE A 82 -5.487 -2.211 -0.065 1.00 0.00 O ATOM 1312 CB ILE A 82 -3.588 0.365 -0.011 1.00 0.00 C ATOM 1313 CG1 ILE A 82 -3.238 0.545 -1.490 1.00 0.00 C ATOM 1314 CG2 ILE A 82 -2.816 -0.803 0.584 1.00 0.00 C ATOM 1315 CD1 ILE A 82 -1.770 0.815 -1.735 1.00 0.00 C ATOM 0 H ILE A 82 -5.244 -0.841 2.001 1.00 0.00 H new ATOM 0 HA ILE A 82 -5.633 1.009 -0.250 1.00 0.00 H new ATOM 0 HB ILE A 82 -3.304 1.272 0.523 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -3.530 -0.352 -2.036 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -3.824 1.370 -1.896 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -1.747 -0.635 0.457 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -3.046 -0.888 1.646 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -3.101 -1.724 0.076 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -1.595 0.932 -2.805 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -1.477 1.728 -1.217 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -1.179 -0.020 -1.360 1.00 0.00 H new ATOM 1327 N GLN A 83 -5.892 -0.926 -1.868 1.00 0.00 N ATOM 1328 CA GLN A 83 -6.308 -2.044 -2.707 1.00 0.00 C ATOM 1329 C GLN A 83 -5.423 -2.153 -3.945 1.00 0.00 C ATOM 1330 O GLN A 83 -5.503 -1.323 -4.851 1.00 0.00 O ATOM 1331 CB GLN A 83 -7.770 -1.880 -3.123 1.00 0.00 C ATOM 1332 CG GLN A 83 -8.148 -2.693 -4.351 1.00 0.00 C ATOM 1333 CD GLN A 83 -7.965 -4.183 -4.143 1.00 0.00 C ATOM 1334 OE1 GLN A 83 -6.871 -4.718 -4.331 1.00 0.00 O ATOM 1335 NE2 GLN A 83 -9.036 -4.863 -3.754 1.00 0.00 N ATOM 0 H GLN A 83 -5.919 -0.018 -2.331 1.00 0.00 H new ATOM 0 HA GLN A 83 -6.204 -2.961 -2.126 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -8.411 -2.174 -2.292 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -7.967 -0.826 -3.320 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -9.187 -2.491 -4.610 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -7.540 -2.371 -5.197 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -9.923 -4.380 -3.610 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -8.973 -5.869 -3.599 1.00 0.00 H new ATOM 1344 N ILE A 84 -4.582 -3.181 -3.976 1.00 0.00 N ATOM 1345 CA ILE A 84 -3.684 -3.399 -5.103 1.00 0.00 C ATOM 1346 C ILE A 84 -4.429 -3.995 -6.292 1.00 0.00 C ATOM 1347 O ILE A 84 -4.850 -5.152 -6.258 1.00 0.00 O ATOM 1348 CB ILE A 84 -2.518 -4.330 -4.722 1.00 0.00 C ATOM 1349 CG1 ILE A 84 -1.667 -3.694 -3.620 1.00 0.00 C ATOM 1350 CG2 ILE A 84 -1.667 -4.640 -5.944 1.00 0.00 C ATOM 1351 CD1 ILE A 84 -1.078 -2.356 -4.009 1.00 0.00 C ATOM 0 H ILE A 84 -4.504 -3.876 -3.234 1.00 0.00 H new ATOM 0 HA ILE A 84 -3.283 -2.424 -5.380 1.00 0.00 H new ATOM 0 HB ILE A 84 -2.929 -5.266 -4.343 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -2.279 -3.567 -2.727 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -0.858 -4.376 -3.358 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -0.847 -5.299 -5.659 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -2.281 -5.130 -6.700 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -1.263 -3.713 -6.351 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -0.487 -1.964 -3.181 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -0.439 -2.480 -4.884 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -1.882 -1.659 -4.243 1.00 0.00 H new ATOM 1363 N VAL A 85 -4.586 -3.199 -7.345 1.00 0.00 N ATOM 1364 CA VAL A 85 -5.278 -3.649 -8.547 1.00 0.00 C ATOM 1365 C VAL A 85 -4.290 -4.160 -9.590 1.00 0.00 C ATOM 1366 O VAL A 85 -3.219 -3.585 -9.781 1.00 0.00 O ATOM 1367 CB VAL A 85 -6.121 -2.518 -9.165 1.00 0.00 C ATOM 1368 CG1 VAL A 85 -6.557 -2.887 -10.575 1.00 0.00 C ATOM 1369 CG2 VAL A 85 -7.327 -2.213 -8.289 1.00 0.00 C ATOM 0 H VAL A 85 -4.243 -2.239 -7.390 1.00 0.00 H new ATOM 0 HA VAL A 85 -5.939 -4.462 -8.247 1.00 0.00 H new ATOM 0 HB VAL A 85 -5.506 -1.620 -9.223 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -7.152 -2.076 -10.996 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -5.677 -3.052 -11.197 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -7.155 -3.798 -10.544 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -7.911 -1.411 -8.741 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -7.945 -3.106 -8.198 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -6.989 -1.903 -7.300 1.00 0.00 H new ATOM 1379 N LYS A 86 -4.658 -5.245 -10.263 1.00 0.00 N ATOM 1380 CA LYS A 86 -3.806 -5.835 -11.289 1.00 0.00 C ATOM 1381 C LYS A 86 -4.275 -5.431 -12.683 1.00 0.00 C ATOM 1382 O LYS A 86 -5.467 -5.480 -12.988 1.00 0.00 O ATOM 1383 CB LYS A 86 -3.802 -7.360 -11.163 1.00 0.00 C ATOM 1384 CG LYS A 86 -3.254 -7.859 -9.837 1.00 0.00 C ATOM 1385 CD LYS A 86 -1.738 -7.956 -9.861 1.00 0.00 C ATOM 1386 CE LYS A 86 -1.232 -9.008 -8.885 1.00 0.00 C ATOM 1387 NZ LYS A 86 -1.592 -10.386 -9.318 1.00 0.00 N ATOM 0 H LYS A 86 -5.541 -5.734 -10.116 1.00 0.00 H new ATOM 0 HA LYS A 86 -2.792 -5.462 -11.143 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -4.820 -7.729 -11.288 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -3.208 -7.782 -11.974 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -3.564 -7.186 -9.038 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -3.679 -8.837 -9.612 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -1.404 -8.202 -10.869 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -1.306 -6.987 -9.610 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -0.149 -8.927 -8.794 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -1.650 -8.817 -7.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -0.937 -11.068 -8.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -2.564 -10.602 -9.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -1.527 -10.452 -10.354 1.00 0.00 H new ATOM 1401 N LYS A 87 -3.330 -5.033 -13.528 1.00 0.00 N ATOM 1402 CA LYS A 87 -3.645 -4.623 -14.892 1.00 0.00 C ATOM 1403 C LYS A 87 -4.639 -5.586 -15.533 1.00 0.00 C ATOM 1404 O LYS A 87 -4.270 -6.682 -15.957 1.00 0.00 O ATOM 1405 CB LYS A 87 -2.369 -4.555 -15.733 1.00 0.00 C ATOM 1406 CG LYS A 87 -1.531 -3.316 -15.469 1.00 0.00 C ATOM 1407 CD LYS A 87 -0.077 -3.532 -15.854 1.00 0.00 C ATOM 1408 CE LYS A 87 0.771 -2.310 -15.538 1.00 0.00 C ATOM 1409 NZ LYS A 87 0.518 -1.799 -14.162 1.00 0.00 N ATOM 0 H LYS A 87 -2.339 -4.986 -13.292 1.00 0.00 H new ATOM 0 HA LYS A 87 -4.099 -3.633 -14.852 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -1.765 -5.441 -15.534 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -2.638 -4.583 -16.789 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -1.936 -2.475 -16.032 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -1.593 -3.052 -14.413 1.00 0.00 H new ATOM 0 HD2 LYS A 87 0.317 -4.397 -15.321 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -0.011 -3.757 -16.919 1.00 0.00 H new ATOM 0 HE2 LYS A 87 1.826 -2.563 -15.643 1.00 0.00 H new ATOM 0 HE3 LYS A 87 0.558 -1.524 -16.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 1.228 -1.078 -13.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -0.432 -1.378 -14.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 0.580 -2.584 -13.483 1.00 0.00 H new ATOM 1423 N SER A 88 -5.899 -5.170 -15.602 1.00 0.00 N ATOM 1424 CA SER A 88 -6.946 -5.997 -16.191 1.00 0.00 C ATOM 1425 C SER A 88 -6.461 -6.652 -17.480 1.00 0.00 C ATOM 1426 O SER A 88 -6.164 -5.972 -18.461 1.00 0.00 O ATOM 1427 CB SER A 88 -8.193 -5.156 -16.470 1.00 0.00 C ATOM 1428 OG SER A 88 -9.008 -5.053 -15.316 1.00 0.00 O ATOM 0 H SER A 88 -6.220 -4.265 -15.257 1.00 0.00 H new ATOM 0 HA SER A 88 -7.198 -6.782 -15.478 1.00 0.00 H new ATOM 0 HB2 SER A 88 -7.897 -4.160 -16.800 1.00 0.00 H new ATOM 0 HB3 SER A 88 -8.764 -5.605 -17.283 1.00 0.00 H new ATOM 0 HG SER A 88 -9.797 -4.509 -15.520 1.00 0.00 H new ATOM 1434 N GLY A 89 -6.383 -7.979 -17.470 1.00 0.00 N ATOM 1435 CA GLY A 89 -5.934 -8.705 -18.643 1.00 0.00 C ATOM 1436 C GLY A 89 -6.462 -10.125 -18.684 1.00 0.00 C ATOM 1437 O GLY A 89 -6.798 -10.715 -17.657 1.00 0.00 O ATOM 0 H GLY A 89 -6.623 -8.564 -16.670 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -6.256 -8.175 -19.540 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -4.844 -8.725 -18.659 1.00 0.00 H new ATOM 1441 N PRO A 90 -6.544 -10.696 -19.896 1.00 0.00 N ATOM 1442 CA PRO A 90 -7.036 -12.062 -20.096 1.00 0.00 C ATOM 1443 C PRO A 90 -6.068 -13.111 -19.558 1.00 0.00 C ATOM 1444 O PRO A 90 -6.409 -14.290 -19.458 1.00 0.00 O ATOM 1445 CB PRO A 90 -7.157 -12.176 -21.617 1.00 0.00 C ATOM 1446 CG PRO A 90 -6.181 -11.185 -22.151 1.00 0.00 C ATOM 1447 CD PRO A 90 -6.161 -10.051 -21.163 1.00 0.00 C ATOM 0 HA PRO A 90 -7.972 -12.240 -19.566 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -6.924 -13.185 -21.958 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -8.170 -11.953 -21.951 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -5.191 -11.629 -22.255 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -6.480 -10.836 -23.140 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -5.175 -9.592 -21.098 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -6.861 -9.263 -21.441 1.00 0.00 H new ATOM 1455 N SER A 91 -4.861 -12.675 -19.213 1.00 0.00 N ATOM 1456 CA SER A 91 -3.843 -13.577 -18.689 1.00 0.00 C ATOM 1457 C SER A 91 -4.470 -14.644 -17.797 1.00 0.00 C ATOM 1458 O SER A 91 -5.443 -14.384 -17.088 1.00 0.00 O ATOM 1459 CB SER A 91 -2.791 -12.792 -17.903 1.00 0.00 C ATOM 1460 OG SER A 91 -3.380 -12.096 -16.818 1.00 0.00 O ATOM 0 H SER A 91 -4.564 -11.702 -19.287 1.00 0.00 H new ATOM 0 HA SER A 91 -3.361 -14.071 -19.533 1.00 0.00 H new ATOM 0 HB2 SER A 91 -2.027 -13.474 -17.530 1.00 0.00 H new ATOM 0 HB3 SER A 91 -2.291 -12.085 -18.565 1.00 0.00 H new ATOM 0 HG SER A 91 -2.687 -11.604 -16.330 1.00 0.00 H new ATOM 1466 N SER A 92 -3.906 -15.847 -17.837 1.00 0.00 N ATOM 1467 CA SER A 92 -4.411 -16.956 -17.036 1.00 0.00 C ATOM 1468 C SER A 92 -4.018 -16.791 -15.571 1.00 0.00 C ATOM 1469 O SER A 92 -2.847 -16.914 -15.213 1.00 0.00 O ATOM 1470 CB SER A 92 -3.878 -18.285 -17.572 1.00 0.00 C ATOM 1471 OG SER A 92 -4.441 -19.381 -16.872 1.00 0.00 O ATOM 0 H SER A 92 -3.099 -16.079 -18.416 1.00 0.00 H new ATOM 0 HA SER A 92 -5.499 -16.955 -17.105 1.00 0.00 H new ATOM 0 HB2 SER A 92 -4.108 -18.371 -18.634 1.00 0.00 H new ATOM 0 HB3 SER A 92 -2.792 -18.309 -17.479 1.00 0.00 H new ATOM 0 HG SER A 92 -4.085 -20.219 -17.235 1.00 0.00 H new ATOM 1477 N GLY A 93 -5.006 -16.511 -14.727 1.00 0.00 N ATOM 1478 CA GLY A 93 -4.744 -16.333 -13.310 1.00 0.00 C ATOM 1479 C GLY A 93 -5.163 -17.536 -12.488 1.00 0.00 C ATOM 1480 O GLY A 93 -4.993 -17.552 -11.269 1.00 0.00 O ATOM 0 H GLY A 93 -5.983 -16.404 -14.999 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -3.680 -16.147 -13.161 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -5.275 -15.450 -12.953 1.00 0.00 H new TER 1484 GLY A 93