USER MOD reduce.3.24.130724 H: found=0, std=0, add=608, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 607 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 161:sc= 0.00502 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 18:sc= 0.332 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot -170:sc= -0.0885 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 CYS SG : rot -150:sc= -2.63! USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 ASN : amide:sc= -0.0159 X(o=-0.016,f=-0.016) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= 0.154 K(o=0.15,f=-7!) USER MOD Single : A 61 CYS SG : rot 142:sc= 0.349 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 HIS : no HD1:sc= -2.86! C(o=-2.9!,f=-2.9!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= -0.0205 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 21.915 -14.086 -10.707 1.00 0.00 N ATOM 2 CA GLY A 1 21.201 -12.788 -10.558 1.00 0.00 C ATOM 3 C GLY A 1 20.239 -12.520 -11.698 1.00 0.00 C ATOM 4 O GLY A 1 20.287 -11.459 -12.322 1.00 0.00 O ATOM 0 H1 GLY A 1 22.560 -14.222 -9.903 1.00 0.00 H new ATOM 0 H2 GLY A 1 21.223 -14.862 -10.731 1.00 0.00 H new ATOM 0 H3 GLY A 1 22.461 -14.082 -11.592 1.00 0.00 H new ATOM 0 HA2 GLY A 1 20.653 -12.785 -9.616 1.00 0.00 H new ATOM 0 HA3 GLY A 1 21.930 -11.980 -10.505 1.00 0.00 H new ATOM 10 N SER A 2 19.366 -13.483 -11.973 1.00 0.00 N ATOM 11 CA SER A 2 18.389 -13.345 -13.047 1.00 0.00 C ATOM 12 C SER A 2 17.045 -12.873 -12.503 1.00 0.00 C ATOM 13 O SER A 2 16.629 -11.740 -12.748 1.00 0.00 O ATOM 14 CB SER A 2 18.216 -14.677 -13.780 1.00 0.00 C ATOM 15 OG SER A 2 17.268 -14.564 -14.827 1.00 0.00 O ATOM 0 H SER A 2 19.315 -14.367 -11.467 1.00 0.00 H new ATOM 0 HA SER A 2 18.759 -12.597 -13.748 1.00 0.00 H new ATOM 0 HB2 SER A 2 19.175 -14.999 -14.187 1.00 0.00 H new ATOM 0 HB3 SER A 2 17.895 -15.444 -13.076 1.00 0.00 H new ATOM 0 HG SER A 2 17.177 -15.428 -15.281 1.00 0.00 H new ATOM 21 N SER A 3 16.370 -13.748 -11.764 1.00 0.00 N ATOM 22 CA SER A 3 15.073 -13.421 -11.185 1.00 0.00 C ATOM 23 C SER A 3 15.137 -13.439 -9.661 1.00 0.00 C ATOM 24 O SER A 3 15.331 -14.491 -9.051 1.00 0.00 O ATOM 25 CB SER A 3 14.009 -14.405 -11.675 1.00 0.00 C ATOM 26 OG SER A 3 14.547 -15.709 -11.814 1.00 0.00 O ATOM 0 H SER A 3 16.701 -14.689 -11.552 1.00 0.00 H new ATOM 0 HA SER A 3 14.803 -12.415 -11.507 1.00 0.00 H new ATOM 0 HB2 SER A 3 13.176 -14.425 -10.972 1.00 0.00 H new ATOM 0 HB3 SER A 3 13.611 -14.068 -12.632 1.00 0.00 H new ATOM 0 HG SER A 3 13.847 -16.320 -12.127 1.00 0.00 H new ATOM 32 N GLY A 4 14.973 -12.270 -9.053 1.00 0.00 N ATOM 33 CA GLY A 4 15.015 -12.174 -7.605 1.00 0.00 C ATOM 34 C GLY A 4 13.907 -11.303 -7.048 1.00 0.00 C ATOM 35 O GLY A 4 13.426 -10.392 -7.721 1.00 0.00 O ATOM 0 H GLY A 4 14.812 -11.386 -9.536 1.00 0.00 H new ATOM 0 HA2 GLY A 4 14.938 -13.173 -7.176 1.00 0.00 H new ATOM 0 HA3 GLY A 4 15.980 -11.769 -7.299 1.00 0.00 H new ATOM 39 N SER A 5 13.499 -11.585 -5.815 1.00 0.00 N ATOM 40 CA SER A 5 12.440 -10.820 -5.167 1.00 0.00 C ATOM 41 C SER A 5 12.991 -9.535 -4.557 1.00 0.00 C ATOM 42 O SER A 5 14.093 -9.520 -4.009 1.00 0.00 O ATOM 43 CB SER A 5 11.761 -11.662 -4.085 1.00 0.00 C ATOM 44 OG SER A 5 11.148 -12.811 -4.644 1.00 0.00 O ATOM 0 H SER A 5 13.885 -12.337 -5.245 1.00 0.00 H new ATOM 0 HA SER A 5 11.704 -10.554 -5.925 1.00 0.00 H new ATOM 0 HB2 SER A 5 12.497 -11.964 -3.340 1.00 0.00 H new ATOM 0 HB3 SER A 5 11.012 -11.061 -3.568 1.00 0.00 H new ATOM 0 HG SER A 5 10.722 -13.334 -3.933 1.00 0.00 H new ATOM 50 N SER A 6 12.216 -8.460 -4.656 1.00 0.00 N ATOM 51 CA SER A 6 12.627 -7.169 -4.113 1.00 0.00 C ATOM 52 C SER A 6 12.689 -7.214 -2.590 1.00 0.00 C ATOM 53 O SER A 6 13.730 -6.936 -1.993 1.00 0.00 O ATOM 54 CB SER A 6 11.660 -6.073 -4.563 1.00 0.00 C ATOM 55 OG SER A 6 12.343 -4.852 -4.788 1.00 0.00 O ATOM 0 H SER A 6 11.301 -8.456 -5.106 1.00 0.00 H new ATOM 0 HA SER A 6 13.624 -6.944 -4.492 1.00 0.00 H new ATOM 0 HB2 SER A 6 11.153 -6.384 -5.477 1.00 0.00 H new ATOM 0 HB3 SER A 6 10.890 -5.929 -3.805 1.00 0.00 H new ATOM 0 HG SER A 6 11.703 -4.168 -5.076 1.00 0.00 H new ATOM 61 N GLY A 7 11.569 -7.565 -1.966 1.00 0.00 N ATOM 62 CA GLY A 7 11.519 -7.640 -0.518 1.00 0.00 C ATOM 63 C GLY A 7 11.401 -6.274 0.129 1.00 0.00 C ATOM 64 O GLY A 7 12.351 -5.489 0.113 1.00 0.00 O ATOM 0 H GLY A 7 10.695 -7.799 -2.438 1.00 0.00 H new ATOM 0 HA2 GLY A 7 10.671 -8.255 -0.218 1.00 0.00 H new ATOM 0 HA3 GLY A 7 12.418 -8.136 -0.152 1.00 0.00 H new ATOM 68 N LEU A 8 10.235 -5.988 0.697 1.00 0.00 N ATOM 69 CA LEU A 8 9.998 -4.706 1.351 1.00 0.00 C ATOM 70 C LEU A 8 9.953 -4.869 2.867 1.00 0.00 C ATOM 71 O LEU A 8 9.973 -5.987 3.383 1.00 0.00 O ATOM 72 CB LEU A 8 8.688 -4.091 0.854 1.00 0.00 C ATOM 73 CG LEU A 8 8.690 -3.669 -0.616 1.00 0.00 C ATOM 74 CD1 LEU A 8 7.273 -3.647 -1.168 1.00 0.00 C ATOM 75 CD2 LEU A 8 9.348 -2.307 -0.777 1.00 0.00 C ATOM 0 H LEU A 8 9.439 -6.626 0.718 1.00 0.00 H new ATOM 0 HA LEU A 8 10.823 -4.040 1.099 1.00 0.00 H new ATOM 0 HB2 LEU A 8 7.884 -4.811 1.009 1.00 0.00 H new ATOM 0 HB3 LEU A 8 8.458 -3.219 1.467 1.00 0.00 H new ATOM 0 HG LEU A 8 9.267 -4.399 -1.183 1.00 0.00 H new ATOM 0 HD11 LEU A 8 7.295 -3.344 -2.215 1.00 0.00 H new ATOM 0 HD12 LEU A 8 6.835 -4.642 -1.087 1.00 0.00 H new ATOM 0 HD13 LEU A 8 6.672 -2.939 -0.598 1.00 0.00 H new ATOM 0 HD21 LEU A 8 9.341 -2.022 -1.829 1.00 0.00 H new ATOM 0 HD22 LEU A 8 8.798 -1.566 -0.197 1.00 0.00 H new ATOM 0 HD23 LEU A 8 10.377 -2.356 -0.421 1.00 0.00 H new ATOM 87 N ARG A 9 9.893 -3.747 3.576 1.00 0.00 N ATOM 88 CA ARG A 9 9.847 -3.765 5.035 1.00 0.00 C ATOM 89 C ARG A 9 8.627 -3.007 5.550 1.00 0.00 C ATOM 90 O ARG A 9 8.137 -2.083 4.900 1.00 0.00 O ATOM 91 CB ARG A 9 11.123 -3.153 5.613 1.00 0.00 C ATOM 92 CG ARG A 9 12.252 -4.155 5.791 1.00 0.00 C ATOM 93 CD ARG A 9 12.618 -4.334 7.257 1.00 0.00 C ATOM 94 NE ARG A 9 13.488 -5.490 7.468 1.00 0.00 N ATOM 95 CZ ARG A 9 13.073 -6.752 7.393 1.00 0.00 C ATOM 96 NH1 ARG A 9 11.805 -7.027 7.115 1.00 0.00 N ATOM 97 NH2 ARG A 9 13.929 -7.744 7.599 1.00 0.00 N ATOM 0 H ARG A 9 9.875 -2.814 3.165 1.00 0.00 H new ATOM 0 HA ARG A 9 9.771 -4.803 5.359 1.00 0.00 H new ATOM 0 HB2 ARG A 9 11.461 -2.351 4.957 1.00 0.00 H new ATOM 0 HB3 ARG A 9 10.894 -2.701 6.578 1.00 0.00 H new ATOM 0 HG2 ARG A 9 11.956 -5.116 5.370 1.00 0.00 H new ATOM 0 HG3 ARG A 9 13.128 -3.819 5.235 1.00 0.00 H new ATOM 0 HD2 ARG A 9 13.116 -3.435 7.618 1.00 0.00 H new ATOM 0 HD3 ARG A 9 11.708 -4.453 7.846 1.00 0.00 H new ATOM 0 HE ARG A 9 14.470 -5.319 7.685 1.00 0.00 H new ATOM 0 HH11 ARG A 9 11.141 -6.269 6.957 1.00 0.00 H new ATOM 0 HH12 ARG A 9 11.494 -7.997 7.059 1.00 0.00 H new ATOM 0 HH21 ARG A 9 14.905 -7.539 7.815 1.00 0.00 H new ATOM 0 HH22 ARG A 9 13.612 -8.712 7.542 1.00 0.00 H new ATOM 111 N LEU A 10 8.142 -3.405 6.723 1.00 0.00 N ATOM 112 CA LEU A 10 6.980 -2.764 7.326 1.00 0.00 C ATOM 113 C LEU A 10 7.327 -1.363 7.821 1.00 0.00 C ATOM 114 O LEU A 10 7.875 -1.197 8.911 1.00 0.00 O ATOM 115 CB LEU A 10 6.450 -3.609 8.486 1.00 0.00 C ATOM 116 CG LEU A 10 5.767 -4.916 8.076 1.00 0.00 C ATOM 117 CD1 LEU A 10 6.029 -6.002 9.108 1.00 0.00 C ATOM 118 CD2 LEU A 10 4.272 -4.700 7.894 1.00 0.00 C ATOM 0 H LEU A 10 8.536 -4.168 7.274 1.00 0.00 H new ATOM 0 HA LEU A 10 6.206 -2.680 6.563 1.00 0.00 H new ATOM 0 HB2 LEU A 10 7.279 -3.844 9.153 1.00 0.00 H new ATOM 0 HB3 LEU A 10 5.741 -3.010 9.058 1.00 0.00 H new ATOM 0 HG LEU A 10 6.186 -5.241 7.124 1.00 0.00 H new ATOM 0 HD11 LEU A 10 5.536 -6.924 8.800 1.00 0.00 H new ATOM 0 HD12 LEU A 10 7.102 -6.175 9.190 1.00 0.00 H new ATOM 0 HD13 LEU A 10 5.637 -5.687 10.075 1.00 0.00 H new ATOM 0 HD21 LEU A 10 3.802 -5.639 7.603 1.00 0.00 H new ATOM 0 HD22 LEU A 10 3.838 -4.352 8.831 1.00 0.00 H new ATOM 0 HD23 LEU A 10 4.104 -3.954 7.117 1.00 0.00 H new ATOM 130 N GLY A 11 7.004 -0.359 7.013 1.00 0.00 N ATOM 131 CA GLY A 11 7.289 1.015 7.386 1.00 0.00 C ATOM 132 C GLY A 11 8.382 1.632 6.536 1.00 0.00 C ATOM 133 O GLY A 11 9.449 1.979 7.041 1.00 0.00 O ATOM 0 H GLY A 11 6.550 -0.472 6.107 1.00 0.00 H new ATOM 0 HA2 GLY A 11 6.380 1.610 7.292 1.00 0.00 H new ATOM 0 HA3 GLY A 11 7.585 1.050 8.434 1.00 0.00 H new ATOM 137 N ASP A 12 8.116 1.770 5.241 1.00 0.00 N ATOM 138 CA ASP A 12 9.084 2.349 4.318 1.00 0.00 C ATOM 139 C ASP A 12 8.381 3.114 3.201 1.00 0.00 C ATOM 140 O ASP A 12 7.306 2.720 2.747 1.00 0.00 O ATOM 141 CB ASP A 12 9.971 1.255 3.722 1.00 0.00 C ATOM 142 CG ASP A 12 11.225 1.018 4.540 1.00 0.00 C ATOM 143 OD1 ASP A 12 11.789 2.003 5.062 1.00 0.00 O ATOM 144 OD2 ASP A 12 11.643 -0.153 4.660 1.00 0.00 O ATOM 0 H ASP A 12 7.237 1.488 4.807 1.00 0.00 H new ATOM 0 HA ASP A 12 9.707 3.048 4.877 1.00 0.00 H new ATOM 0 HB2 ASP A 12 9.403 0.327 3.655 1.00 0.00 H new ATOM 0 HB3 ASP A 12 10.251 1.531 2.705 1.00 0.00 H new ATOM 149 N ARG A 13 8.994 4.208 2.763 1.00 0.00 N ATOM 150 CA ARG A 13 8.428 5.028 1.700 1.00 0.00 C ATOM 151 C ARG A 13 8.542 4.324 0.351 1.00 0.00 C ATOM 152 O ARG A 13 9.631 3.922 -0.061 1.00 0.00 O ATOM 153 CB ARG A 13 9.134 6.384 1.642 1.00 0.00 C ATOM 154 CG ARG A 13 8.535 7.421 2.578 1.00 0.00 C ATOM 155 CD ARG A 13 9.111 7.302 3.980 1.00 0.00 C ATOM 156 NE ARG A 13 10.401 7.978 4.103 1.00 0.00 N ATOM 157 CZ ARG A 13 11.273 7.740 5.079 1.00 0.00 C ATOM 158 NH1 ARG A 13 10.999 6.845 6.019 1.00 0.00 N ATOM 159 NH2 ARG A 13 12.423 8.400 5.116 1.00 0.00 N ATOM 0 H ARG A 13 9.884 4.547 3.128 1.00 0.00 H new ATOM 0 HA ARG A 13 7.372 5.185 1.920 1.00 0.00 H new ATOM 0 HB2 ARG A 13 10.187 6.247 1.890 1.00 0.00 H new ATOM 0 HB3 ARG A 13 9.094 6.762 0.620 1.00 0.00 H new ATOM 0 HG2 ARG A 13 8.728 8.420 2.187 1.00 0.00 H new ATOM 0 HG3 ARG A 13 7.453 7.297 2.616 1.00 0.00 H new ATOM 0 HD2 ARG A 13 8.409 7.728 4.697 1.00 0.00 H new ATOM 0 HD3 ARG A 13 9.228 6.249 4.235 1.00 0.00 H new ATOM 0 HE ARG A 13 10.647 8.674 3.399 1.00 0.00 H new ATOM 0 HH11 ARG A 13 10.116 6.335 5.996 1.00 0.00 H new ATOM 0 HH12 ARG A 13 11.671 6.667 6.765 1.00 0.00 H new ATOM 0 HH21 ARG A 13 12.638 9.090 4.396 1.00 0.00 H new ATOM 0 HH22 ARG A 13 13.092 8.218 5.864 1.00 0.00 H new ATOM 173 N VAL A 14 7.412 4.178 -0.332 1.00 0.00 N ATOM 174 CA VAL A 14 7.386 3.522 -1.634 1.00 0.00 C ATOM 175 C VAL A 14 6.463 4.257 -2.601 1.00 0.00 C ATOM 176 O VAL A 14 5.365 4.672 -2.233 1.00 0.00 O ATOM 177 CB VAL A 14 6.925 2.058 -1.517 1.00 0.00 C ATOM 178 CG1 VAL A 14 7.968 1.226 -0.787 1.00 0.00 C ATOM 179 CG2 VAL A 14 5.579 1.978 -0.811 1.00 0.00 C ATOM 0 H VAL A 14 6.502 4.505 -0.006 1.00 0.00 H new ATOM 0 HA VAL A 14 8.405 3.544 -2.019 1.00 0.00 H new ATOM 0 HB VAL A 14 6.808 1.651 -2.521 1.00 0.00 H new ATOM 0 HG11 VAL A 14 7.624 0.194 -0.714 1.00 0.00 H new ATOM 0 HG12 VAL A 14 8.908 1.257 -1.337 1.00 0.00 H new ATOM 0 HG13 VAL A 14 8.120 1.630 0.214 1.00 0.00 H new ATOM 0 HG21 VAL A 14 5.268 0.936 -0.737 1.00 0.00 H new ATOM 0 HG22 VAL A 14 5.667 2.402 0.189 1.00 0.00 H new ATOM 0 HG23 VAL A 14 4.836 2.539 -1.379 1.00 0.00 H new ATOM 189 N LEU A 15 6.917 4.414 -3.840 1.00 0.00 N ATOM 190 CA LEU A 15 6.132 5.098 -4.860 1.00 0.00 C ATOM 191 C LEU A 15 5.055 4.178 -5.424 1.00 0.00 C ATOM 192 O LEU A 15 5.323 3.025 -5.761 1.00 0.00 O ATOM 193 CB LEU A 15 7.041 5.590 -5.989 1.00 0.00 C ATOM 194 CG LEU A 15 6.490 6.766 -6.798 1.00 0.00 C ATOM 195 CD1 LEU A 15 6.247 7.966 -5.895 1.00 0.00 C ATOM 196 CD2 LEU A 15 7.443 7.129 -7.927 1.00 0.00 C ATOM 0 H LEU A 15 7.824 4.077 -4.162 1.00 0.00 H new ATOM 0 HA LEU A 15 5.646 5.955 -4.395 1.00 0.00 H new ATOM 0 HB2 LEU A 15 8.001 5.881 -5.562 1.00 0.00 H new ATOM 0 HB3 LEU A 15 7.233 4.760 -6.668 1.00 0.00 H new ATOM 0 HG LEU A 15 5.537 6.468 -7.236 1.00 0.00 H new ATOM 0 HD11 LEU A 15 5.855 8.793 -6.487 1.00 0.00 H new ATOM 0 HD12 LEU A 15 5.526 7.700 -5.122 1.00 0.00 H new ATOM 0 HD13 LEU A 15 7.185 8.266 -5.428 1.00 0.00 H new ATOM 0 HD21 LEU A 15 7.035 7.967 -8.492 1.00 0.00 H new ATOM 0 HD22 LEU A 15 8.411 7.409 -7.511 1.00 0.00 H new ATOM 0 HD23 LEU A 15 7.567 6.272 -8.589 1.00 0.00 H new ATOM 208 N VAL A 16 3.833 4.695 -5.523 1.00 0.00 N ATOM 209 CA VAL A 16 2.715 3.920 -6.045 1.00 0.00 C ATOM 210 C VAL A 16 2.181 4.531 -7.336 1.00 0.00 C ATOM 211 O VAL A 16 1.521 5.570 -7.317 1.00 0.00 O ATOM 212 CB VAL A 16 1.568 3.826 -5.019 1.00 0.00 C ATOM 213 CG1 VAL A 16 0.478 2.889 -5.518 1.00 0.00 C ATOM 214 CG2 VAL A 16 2.095 3.369 -3.668 1.00 0.00 C ATOM 0 H VAL A 16 3.594 5.648 -5.248 1.00 0.00 H new ATOM 0 HA VAL A 16 3.091 2.917 -6.249 1.00 0.00 H new ATOM 0 HB VAL A 16 1.134 4.818 -4.897 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -0.322 2.836 -4.780 1.00 0.00 H new ATOM 0 HG12 VAL A 16 0.079 3.265 -6.460 1.00 0.00 H new ATOM 0 HG13 VAL A 16 0.896 1.894 -5.672 1.00 0.00 H new ATOM 0 HG21 VAL A 16 1.271 3.309 -2.957 1.00 0.00 H new ATOM 0 HG22 VAL A 16 2.558 2.387 -3.771 1.00 0.00 H new ATOM 0 HG23 VAL A 16 2.835 4.083 -3.306 1.00 0.00 H new ATOM 224 N GLY A 17 2.470 3.878 -8.457 1.00 0.00 N ATOM 225 CA GLY A 17 2.010 4.371 -9.742 1.00 0.00 C ATOM 226 C GLY A 17 3.067 5.187 -10.460 1.00 0.00 C ATOM 227 O GLY A 17 3.113 5.211 -11.690 1.00 0.00 O ATOM 0 H GLY A 17 3.014 3.016 -8.498 1.00 0.00 H new ATOM 0 HA2 GLY A 17 1.718 3.528 -10.368 1.00 0.00 H new ATOM 0 HA3 GLY A 17 1.120 4.983 -9.596 1.00 0.00 H new ATOM 231 N GLY A 18 3.918 5.858 -9.691 1.00 0.00 N ATOM 232 CA GLY A 18 4.968 6.670 -10.277 1.00 0.00 C ATOM 233 C GLY A 18 4.801 8.145 -9.972 1.00 0.00 C ATOM 234 O GLY A 18 5.134 8.998 -10.794 1.00 0.00 O ATOM 0 H GLY A 18 3.899 5.854 -8.671 1.00 0.00 H new ATOM 0 HA2 GLY A 18 5.935 6.332 -9.903 1.00 0.00 H new ATOM 0 HA3 GLY A 18 4.975 6.524 -11.357 1.00 0.00 H new ATOM 238 N THR A 19 4.280 8.447 -8.787 1.00 0.00 N ATOM 239 CA THR A 19 4.068 9.830 -8.375 1.00 0.00 C ATOM 240 C THR A 19 3.538 9.899 -6.947 1.00 0.00 C ATOM 241 O THR A 19 3.981 10.726 -6.149 1.00 0.00 O ATOM 242 CB THR A 19 3.093 10.524 -9.327 1.00 0.00 C ATOM 243 OG1 THR A 19 2.731 11.801 -8.832 1.00 0.00 O ATOM 244 CG2 THR A 19 1.818 9.741 -9.553 1.00 0.00 C ATOM 0 H THR A 19 3.997 7.753 -8.095 1.00 0.00 H new ATOM 0 HA THR A 19 5.029 10.344 -8.411 1.00 0.00 H new ATOM 0 HB THR A 19 3.624 10.605 -10.275 1.00 0.00 H new ATOM 0 HG1 THR A 19 2.108 12.229 -9.456 1.00 0.00 H new ATOM 0 HG21 THR A 19 1.171 10.289 -10.238 1.00 0.00 H new ATOM 0 HG22 THR A 19 2.059 8.769 -9.982 1.00 0.00 H new ATOM 0 HG23 THR A 19 1.304 9.600 -8.602 1.00 0.00 H new ATOM 252 N LYS A 20 2.587 9.025 -6.630 1.00 0.00 N ATOM 253 CA LYS A 20 1.998 8.988 -5.297 1.00 0.00 C ATOM 254 C LYS A 20 2.938 8.311 -4.305 1.00 0.00 C ATOM 255 O LYS A 20 3.118 7.094 -4.336 1.00 0.00 O ATOM 256 CB LYS A 20 0.656 8.252 -5.330 1.00 0.00 C ATOM 257 CG LYS A 20 -0.382 8.922 -6.215 1.00 0.00 C ATOM 258 CD LYS A 20 -0.538 8.196 -7.543 1.00 0.00 C ATOM 259 CE LYS A 20 -1.818 7.376 -7.583 1.00 0.00 C ATOM 260 NZ LYS A 20 -1.633 6.096 -8.322 1.00 0.00 N ATOM 0 H LYS A 20 2.209 8.334 -7.278 1.00 0.00 H new ATOM 0 HA LYS A 20 1.834 10.015 -4.971 1.00 0.00 H new ATOM 0 HB2 LYS A 20 0.818 7.233 -5.682 1.00 0.00 H new ATOM 0 HB3 LYS A 20 0.265 8.181 -4.315 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -1.341 8.946 -5.698 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -0.092 9.957 -6.397 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -0.544 8.921 -8.357 1.00 0.00 H new ATOM 0 HD3 LYS A 20 0.319 7.542 -7.704 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -2.146 7.164 -6.565 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -2.608 7.958 -8.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -2.392 5.434 -8.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -1.665 6.278 -9.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -0.712 5.681 -8.073 1.00 0.00 H new ATOM 274 N THR A 21 3.535 9.108 -3.426 1.00 0.00 N ATOM 275 CA THR A 21 4.458 8.588 -2.424 1.00 0.00 C ATOM 276 C THR A 21 3.713 8.185 -1.155 1.00 0.00 C ATOM 277 O THR A 21 2.938 8.966 -0.604 1.00 0.00 O ATOM 278 CB THR A 21 5.527 9.630 -2.093 1.00 0.00 C ATOM 279 OG1 THR A 21 4.955 10.741 -1.426 1.00 0.00 O ATOM 280 CG2 THR A 21 6.251 10.152 -3.315 1.00 0.00 C ATOM 0 H THR A 21 3.396 10.118 -3.387 1.00 0.00 H new ATOM 0 HA THR A 21 4.941 7.702 -2.837 1.00 0.00 H new ATOM 0 HB THR A 21 6.246 9.114 -1.456 1.00 0.00 H new ATOM 0 HG1 THR A 21 4.078 10.491 -1.068 1.00 0.00 H new ATOM 0 HG21 THR A 21 6.996 10.887 -3.010 1.00 0.00 H new ATOM 0 HG22 THR A 21 6.745 9.326 -3.826 1.00 0.00 H new ATOM 0 HG23 THR A 21 5.535 10.620 -3.990 1.00 0.00 H new ATOM 288 N GLY A 22 3.956 6.962 -0.695 1.00 0.00 N ATOM 289 CA GLY A 22 3.302 6.477 0.505 1.00 0.00 C ATOM 290 C GLY A 22 4.129 5.437 1.236 1.00 0.00 C ATOM 291 O GLY A 22 4.894 4.697 0.617 1.00 0.00 O ATOM 0 H GLY A 22 4.595 6.298 -1.133 1.00 0.00 H new ATOM 0 HA2 GLY A 22 3.106 7.316 1.173 1.00 0.00 H new ATOM 0 HA3 GLY A 22 2.336 6.048 0.240 1.00 0.00 H new ATOM 295 N VAL A 23 3.976 5.381 2.554 1.00 0.00 N ATOM 296 CA VAL A 23 4.716 4.424 3.369 1.00 0.00 C ATOM 297 C VAL A 23 3.973 3.096 3.470 1.00 0.00 C ATOM 298 O VAL A 23 2.743 3.062 3.501 1.00 0.00 O ATOM 299 CB VAL A 23 4.965 4.968 4.788 1.00 0.00 C ATOM 300 CG1 VAL A 23 5.904 4.049 5.555 1.00 0.00 C ATOM 301 CG2 VAL A 23 5.523 6.381 4.727 1.00 0.00 C ATOM 0 H VAL A 23 3.347 5.986 3.081 1.00 0.00 H new ATOM 0 HA VAL A 23 5.675 4.265 2.875 1.00 0.00 H new ATOM 0 HB VAL A 23 4.013 5.000 5.318 1.00 0.00 H new ATOM 0 HG11 VAL A 23 6.068 4.449 6.555 1.00 0.00 H new ATOM 0 HG12 VAL A 23 5.461 3.056 5.630 1.00 0.00 H new ATOM 0 HG13 VAL A 23 6.857 3.982 5.030 1.00 0.00 H new ATOM 0 HG21 VAL A 23 5.693 6.749 5.739 1.00 0.00 H new ATOM 0 HG22 VAL A 23 6.466 6.377 4.180 1.00 0.00 H new ATOM 0 HG23 VAL A 23 4.811 7.032 4.219 1.00 0.00 H new ATOM 311 N VAL A 24 4.729 2.004 3.520 1.00 0.00 N ATOM 312 CA VAL A 24 4.143 0.673 3.617 1.00 0.00 C ATOM 313 C VAL A 24 3.651 0.390 5.032 1.00 0.00 C ATOM 314 O VAL A 24 4.409 0.491 5.996 1.00 0.00 O ATOM 315 CB VAL A 24 5.153 -0.417 3.209 1.00 0.00 C ATOM 316 CG1 VAL A 24 4.471 -1.774 3.128 1.00 0.00 C ATOM 317 CG2 VAL A 24 5.813 -0.065 1.885 1.00 0.00 C ATOM 0 H VAL A 24 5.749 2.015 3.495 1.00 0.00 H new ATOM 0 HA VAL A 24 3.297 0.650 2.930 1.00 0.00 H new ATOM 0 HB VAL A 24 5.929 -0.471 3.973 1.00 0.00 H new ATOM 0 HG11 VAL A 24 5.200 -2.531 2.839 1.00 0.00 H new ATOM 0 HG12 VAL A 24 4.050 -2.028 4.101 1.00 0.00 H new ATOM 0 HG13 VAL A 24 3.673 -1.736 2.386 1.00 0.00 H new ATOM 0 HG21 VAL A 24 6.523 -0.846 1.613 1.00 0.00 H new ATOM 0 HG22 VAL A 24 5.051 0.019 1.110 1.00 0.00 H new ATOM 0 HG23 VAL A 24 6.338 0.885 1.982 1.00 0.00 H new ATOM 327 N ARG A 25 2.376 0.033 5.150 1.00 0.00 N ATOM 328 CA ARG A 25 1.781 -0.266 6.448 1.00 0.00 C ATOM 329 C ARG A 25 1.498 -1.759 6.586 1.00 0.00 C ATOM 330 O ARG A 25 1.514 -2.304 7.689 1.00 0.00 O ATOM 331 CB ARG A 25 0.489 0.533 6.636 1.00 0.00 C ATOM 332 CG ARG A 25 0.654 1.753 7.530 1.00 0.00 C ATOM 333 CD ARG A 25 0.351 1.424 8.983 1.00 0.00 C ATOM 334 NE ARG A 25 -0.430 2.476 9.631 1.00 0.00 N ATOM 335 CZ ARG A 25 0.094 3.612 10.089 1.00 0.00 C ATOM 336 NH1 ARG A 25 1.394 3.846 9.971 1.00 0.00 N ATOM 337 NH2 ARG A 25 -0.687 4.515 10.666 1.00 0.00 N ATOM 0 H ARG A 25 1.735 -0.056 4.362 1.00 0.00 H new ATOM 0 HA ARG A 25 2.492 0.022 7.222 1.00 0.00 H new ATOM 0 HB2 ARG A 25 0.125 0.854 5.660 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -0.273 -0.119 7.062 1.00 0.00 H new ATOM 0 HG2 ARG A 25 1.673 2.132 7.446 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -0.010 2.547 7.190 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -0.196 0.482 9.035 1.00 0.00 H new ATOM 0 HD3 ARG A 25 1.286 1.280 9.525 1.00 0.00 H new ATOM 0 HE ARG A 25 -1.434 2.332 9.739 1.00 0.00 H new ATOM 0 HH11 ARG A 25 1.999 3.154 9.528 1.00 0.00 H new ATOM 0 HH12 ARG A 25 1.789 4.718 10.324 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -1.687 4.339 10.759 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -0.287 5.385 11.017 1.00 0.00 H new ATOM 351 N TYR A 26 1.237 -2.414 5.458 1.00 0.00 N ATOM 352 CA TYR A 26 0.949 -3.843 5.454 1.00 0.00 C ATOM 353 C TYR A 26 1.844 -4.575 4.460 1.00 0.00 C ATOM 354 O TYR A 26 2.119 -4.074 3.370 1.00 0.00 O ATOM 355 CB TYR A 26 -0.521 -4.087 5.107 1.00 0.00 C ATOM 356 CG TYR A 26 -0.964 -5.517 5.315 1.00 0.00 C ATOM 357 CD1 TYR A 26 -1.251 -5.997 6.586 1.00 0.00 C ATOM 358 CD2 TYR A 26 -1.098 -6.386 4.239 1.00 0.00 C ATOM 359 CE1 TYR A 26 -1.657 -7.304 6.780 1.00 0.00 C ATOM 360 CE2 TYR A 26 -1.504 -7.693 4.425 1.00 0.00 C ATOM 361 CZ TYR A 26 -1.782 -8.148 5.697 1.00 0.00 C ATOM 362 OH TYR A 26 -2.187 -9.449 5.885 1.00 0.00 O ATOM 0 H TYR A 26 1.219 -1.977 4.536 1.00 0.00 H new ATOM 0 HA TYR A 26 1.150 -4.231 6.452 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -1.143 -3.431 5.716 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -0.690 -3.811 4.066 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -1.155 -5.339 7.437 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -0.881 -6.034 3.241 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -1.875 -7.662 7.775 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -1.603 -8.356 3.578 1.00 0.00 H new ATOM 0 HH TYR A 26 -2.225 -9.908 5.020 1.00 0.00 H new ATOM 372 N VAL A 27 2.296 -5.764 4.844 1.00 0.00 N ATOM 373 CA VAL A 27 3.161 -6.566 3.987 1.00 0.00 C ATOM 374 C VAL A 27 2.900 -8.055 4.184 1.00 0.00 C ATOM 375 O VAL A 27 3.377 -8.659 5.144 1.00 0.00 O ATOM 376 CB VAL A 27 4.649 -6.275 4.262 1.00 0.00 C ATOM 377 CG1 VAL A 27 5.531 -6.997 3.256 1.00 0.00 C ATOM 378 CG2 VAL A 27 4.913 -4.777 4.236 1.00 0.00 C ATOM 0 H VAL A 27 2.078 -6.193 5.743 1.00 0.00 H new ATOM 0 HA VAL A 27 2.930 -6.293 2.958 1.00 0.00 H new ATOM 0 HB VAL A 27 4.895 -6.647 5.257 1.00 0.00 H new ATOM 0 HG11 VAL A 27 6.578 -6.779 3.467 1.00 0.00 H new ATOM 0 HG12 VAL A 27 5.362 -8.071 3.329 1.00 0.00 H new ATOM 0 HG13 VAL A 27 5.286 -6.659 2.249 1.00 0.00 H new ATOM 0 HG21 VAL A 27 5.969 -4.590 4.432 1.00 0.00 H new ATOM 0 HG22 VAL A 27 4.650 -4.378 3.256 1.00 0.00 H new ATOM 0 HG23 VAL A 27 4.310 -4.288 5.001 1.00 0.00 H new ATOM 388 N GLY A 28 2.138 -8.643 3.267 1.00 0.00 N ATOM 389 CA GLY A 28 1.826 -10.057 3.356 1.00 0.00 C ATOM 390 C GLY A 28 0.942 -10.528 2.217 1.00 0.00 C ATOM 391 O GLY A 28 0.931 -9.928 1.142 1.00 0.00 O ATOM 0 H GLY A 28 1.731 -8.165 2.463 1.00 0.00 H new ATOM 0 HA2 GLY A 28 2.752 -10.631 3.354 1.00 0.00 H new ATOM 0 HA3 GLY A 28 1.328 -10.257 4.305 1.00 0.00 H new ATOM 395 N GLU A 29 0.202 -11.606 2.453 1.00 0.00 N ATOM 396 CA GLU A 29 -0.688 -12.158 1.436 1.00 0.00 C ATOM 397 C GLU A 29 -2.064 -11.501 1.503 1.00 0.00 C ATOM 398 O GLU A 29 -2.289 -10.587 2.296 1.00 0.00 O ATOM 399 CB GLU A 29 -0.822 -13.671 1.615 1.00 0.00 C ATOM 400 CG GLU A 29 0.214 -14.469 0.839 1.00 0.00 C ATOM 401 CD GLU A 29 -0.307 -15.819 0.388 1.00 0.00 C ATOM 402 OE1 GLU A 29 -1.465 -15.884 -0.076 1.00 0.00 O ATOM 403 OE2 GLU A 29 0.443 -16.812 0.498 1.00 0.00 O ATOM 0 H GLU A 29 0.200 -12.114 3.337 1.00 0.00 H new ATOM 0 HA GLU A 29 -0.255 -11.952 0.457 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -0.736 -13.912 2.674 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -1.818 -13.979 1.298 1.00 0.00 H new ATOM 0 HG2 GLU A 29 0.530 -13.896 -0.033 1.00 0.00 H new ATOM 0 HG3 GLU A 29 1.097 -14.614 1.462 1.00 0.00 H new ATOM 410 N THR A 30 -2.980 -11.975 0.665 1.00 0.00 N ATOM 411 CA THR A 30 -4.335 -11.434 0.628 1.00 0.00 C ATOM 412 C THR A 30 -5.367 -12.554 0.560 1.00 0.00 C ATOM 413 O THR A 30 -5.021 -13.721 0.373 1.00 0.00 O ATOM 414 CB THR A 30 -4.500 -10.500 -0.571 1.00 0.00 C ATOM 415 OG1 THR A 30 -4.213 -11.180 -1.781 1.00 0.00 O ATOM 416 CG2 THR A 30 -3.604 -9.280 -0.508 1.00 0.00 C ATOM 0 H THR A 30 -2.810 -12.732 0.003 1.00 0.00 H new ATOM 0 HA THR A 30 -4.499 -10.869 1.546 1.00 0.00 H new ATOM 0 HB THR A 30 -5.539 -10.171 -0.539 1.00 0.00 H new ATOM 0 HG1 THR A 30 -4.169 -10.534 -2.517 1.00 0.00 H new ATOM 0 HG21 THR A 30 -3.771 -8.660 -1.389 1.00 0.00 H new ATOM 0 HG22 THR A 30 -3.834 -8.706 0.389 1.00 0.00 H new ATOM 0 HG23 THR A 30 -2.561 -9.596 -0.479 1.00 0.00 H new ATOM 424 N ASP A 31 -6.637 -12.192 0.712 1.00 0.00 N ATOM 425 CA ASP A 31 -7.722 -13.166 0.665 1.00 0.00 C ATOM 426 C ASP A 31 -8.641 -12.903 -0.522 1.00 0.00 C ATOM 427 O ASP A 31 -9.839 -13.180 -0.467 1.00 0.00 O ATOM 428 CB ASP A 31 -8.525 -13.127 1.967 1.00 0.00 C ATOM 429 CG ASP A 31 -8.032 -14.139 2.983 1.00 0.00 C ATOM 430 OD1 ASP A 31 -6.951 -13.916 3.566 1.00 0.00 O ATOM 431 OD2 ASP A 31 -8.728 -15.155 3.195 1.00 0.00 O ATOM 0 H ASP A 31 -6.940 -11.231 0.869 1.00 0.00 H new ATOM 0 HA ASP A 31 -7.283 -14.156 0.546 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -8.466 -12.127 2.397 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -9.576 -13.319 1.748 1.00 0.00 H new ATOM 436 N PHE A 32 -8.072 -12.368 -1.598 1.00 0.00 N ATOM 437 CA PHE A 32 -8.841 -12.068 -2.800 1.00 0.00 C ATOM 438 C PHE A 32 -7.994 -12.265 -4.053 1.00 0.00 C ATOM 439 O PHE A 32 -8.437 -12.879 -5.023 1.00 0.00 O ATOM 440 CB PHE A 32 -9.373 -10.634 -2.749 1.00 0.00 C ATOM 441 CG PHE A 32 -8.351 -9.628 -2.301 1.00 0.00 C ATOM 442 CD1 PHE A 32 -7.527 -8.999 -3.223 1.00 0.00 C ATOM 443 CD2 PHE A 32 -8.215 -9.308 -0.960 1.00 0.00 C ATOM 444 CE1 PHE A 32 -6.588 -8.072 -2.813 1.00 0.00 C ATOM 445 CE2 PHE A 32 -7.277 -8.382 -0.545 1.00 0.00 C ATOM 446 CZ PHE A 32 -6.462 -7.764 -1.474 1.00 0.00 C ATOM 0 H PHE A 32 -7.081 -12.134 -1.662 1.00 0.00 H new ATOM 0 HA PHE A 32 -9.684 -12.758 -2.841 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -9.736 -10.355 -3.738 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -10.228 -10.596 -2.074 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -7.620 -9.236 -4.272 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -8.850 -9.788 -0.230 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -5.953 -7.589 -3.541 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -7.181 -8.142 0.504 1.00 0.00 H new ATOM 0 HZ PHE A 32 -5.727 -7.041 -1.152 1.00 0.00 H new ATOM 456 N ALA A 33 -6.774 -11.740 -4.026 1.00 0.00 N ATOM 457 CA ALA A 33 -5.866 -11.858 -5.160 1.00 0.00 C ATOM 458 C ALA A 33 -4.793 -12.910 -4.897 1.00 0.00 C ATOM 459 O ALA A 33 -4.236 -12.981 -3.802 1.00 0.00 O ATOM 460 CB ALA A 33 -5.226 -10.513 -5.466 1.00 0.00 C ATOM 0 H ALA A 33 -6.391 -11.229 -3.231 1.00 0.00 H new ATOM 0 HA ALA A 33 -6.446 -12.177 -6.026 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -4.550 -10.616 -6.315 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -6.003 -9.787 -5.706 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -4.666 -10.170 -4.596 1.00 0.00 H new ATOM 466 N LYS A 34 -4.507 -13.724 -5.909 1.00 0.00 N ATOM 467 CA LYS A 34 -3.501 -14.772 -5.786 1.00 0.00 C ATOM 468 C LYS A 34 -2.095 -14.183 -5.826 1.00 0.00 C ATOM 469 O LYS A 34 -1.698 -13.566 -6.815 1.00 0.00 O ATOM 470 CB LYS A 34 -3.669 -15.802 -6.905 1.00 0.00 C ATOM 471 CG LYS A 34 -4.589 -16.955 -6.538 1.00 0.00 C ATOM 472 CD LYS A 34 -5.836 -16.978 -7.409 1.00 0.00 C ATOM 473 CE LYS A 34 -6.663 -15.715 -7.232 1.00 0.00 C ATOM 474 NZ LYS A 34 -8.033 -15.865 -7.795 1.00 0.00 N ATOM 0 H LYS A 34 -4.958 -13.677 -6.823 1.00 0.00 H new ATOM 0 HA LYS A 34 -3.641 -15.265 -4.824 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -4.062 -15.303 -7.791 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -2.690 -16.200 -7.171 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -4.052 -17.898 -6.646 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -4.878 -16.871 -5.490 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -5.548 -17.082 -8.455 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -6.441 -17.849 -7.157 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -6.731 -15.471 -6.172 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -6.160 -14.880 -7.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -8.565 -14.982 -7.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -7.970 -16.073 -8.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -8.523 -16.645 -7.312 1.00 0.00 H new ATOM 488 N GLY A 35 -1.345 -14.379 -4.747 1.00 0.00 N ATOM 489 CA GLY A 35 0.010 -13.862 -4.679 1.00 0.00 C ATOM 490 C GLY A 35 0.256 -13.043 -3.428 1.00 0.00 C ATOM 491 O GLY A 35 -0.285 -13.344 -2.364 1.00 0.00 O ATOM 0 H GLY A 35 -1.651 -14.887 -3.917 1.00 0.00 H new ATOM 0 HA2 GLY A 35 0.715 -14.693 -4.710 1.00 0.00 H new ATOM 0 HA3 GLY A 35 0.205 -13.246 -5.557 1.00 0.00 H new ATOM 495 N GLU A 36 1.076 -12.003 -3.555 1.00 0.00 N ATOM 496 CA GLU A 36 1.394 -11.138 -2.425 1.00 0.00 C ATOM 497 C GLU A 36 1.166 -9.673 -2.783 1.00 0.00 C ATOM 498 O GLU A 36 1.607 -9.204 -3.832 1.00 0.00 O ATOM 499 CB GLU A 36 2.844 -11.353 -1.984 1.00 0.00 C ATOM 500 CG GLU A 36 2.985 -12.281 -0.789 1.00 0.00 C ATOM 501 CD GLU A 36 4.167 -13.221 -0.919 1.00 0.00 C ATOM 502 OE1 GLU A 36 4.024 -14.265 -1.589 1.00 0.00 O ATOM 503 OE2 GLU A 36 5.235 -12.914 -0.349 1.00 0.00 O ATOM 0 H GLU A 36 1.531 -11.740 -4.429 1.00 0.00 H new ATOM 0 HA GLU A 36 0.731 -11.397 -1.600 1.00 0.00 H new ATOM 0 HB2 GLU A 36 3.412 -11.761 -2.820 1.00 0.00 H new ATOM 0 HB3 GLU A 36 3.287 -10.388 -1.738 1.00 0.00 H new ATOM 0 HG2 GLU A 36 3.096 -11.686 0.118 1.00 0.00 H new ATOM 0 HG3 GLU A 36 2.071 -12.865 -0.677 1.00 0.00 H new ATOM 510 N TRP A 37 0.475 -8.953 -1.904 1.00 0.00 N ATOM 511 CA TRP A 37 0.188 -7.541 -2.127 1.00 0.00 C ATOM 512 C TRP A 37 0.627 -6.701 -0.933 1.00 0.00 C ATOM 513 O TRP A 37 0.452 -7.100 0.218 1.00 0.00 O ATOM 514 CB TRP A 37 -1.305 -7.337 -2.388 1.00 0.00 C ATOM 515 CG TRP A 37 -1.790 -8.022 -3.630 1.00 0.00 C ATOM 516 CD1 TRP A 37 -1.709 -9.354 -3.916 1.00 0.00 C ATOM 517 CD2 TRP A 37 -2.431 -7.407 -4.753 1.00 0.00 C ATOM 518 NE1 TRP A 37 -2.261 -9.605 -5.149 1.00 0.00 N ATOM 519 CE2 TRP A 37 -2.710 -8.426 -5.683 1.00 0.00 C ATOM 520 CE3 TRP A 37 -2.794 -6.094 -5.064 1.00 0.00 C ATOM 521 CZ2 TRP A 37 -3.336 -8.173 -6.901 1.00 0.00 C ATOM 522 CZ3 TRP A 37 -3.416 -5.843 -6.272 1.00 0.00 C ATOM 523 CH2 TRP A 37 -3.682 -6.878 -7.178 1.00 0.00 C ATOM 0 H TRP A 37 0.103 -9.325 -1.030 1.00 0.00 H new ATOM 0 HA TRP A 37 0.750 -7.216 -3.003 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -1.870 -7.708 -1.533 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -1.510 -6.269 -2.467 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -1.275 -10.101 -3.268 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -2.326 -10.520 -5.594 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -2.592 -5.290 -4.372 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -3.541 -8.969 -7.601 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -3.702 -4.832 -6.522 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -4.170 -6.649 -8.114 1.00 0.00 H new ATOM 534 N CYS A 38 1.197 -5.534 -1.214 1.00 0.00 N ATOM 535 CA CYS A 38 1.662 -4.636 -0.163 1.00 0.00 C ATOM 536 C CYS A 38 0.778 -3.396 -0.077 1.00 0.00 C ATOM 537 O CYS A 38 0.375 -2.836 -1.098 1.00 0.00 O ATOM 538 CB CYS A 38 3.114 -4.227 -0.417 1.00 0.00 C ATOM 539 SG CYS A 38 4.327 -5.194 0.512 1.00 0.00 S ATOM 0 H CYS A 38 1.348 -5.188 -2.161 1.00 0.00 H new ATOM 0 HA CYS A 38 1.604 -5.168 0.787 1.00 0.00 H new ATOM 0 HB2 CYS A 38 3.327 -4.324 -1.482 1.00 0.00 H new ATOM 0 HB3 CYS A 38 3.233 -3.174 -0.163 1.00 0.00 H new ATOM 0 HG CYS A 38 5.371 -4.460 0.757 1.00 0.00 H new ATOM 545 N GLY A 39 0.480 -2.971 1.146 1.00 0.00 N ATOM 546 CA GLY A 39 -0.353 -1.799 1.342 1.00 0.00 C ATOM 547 C GLY A 39 0.461 -0.543 1.576 1.00 0.00 C ATOM 548 O GLY A 39 1.360 -0.525 2.417 1.00 0.00 O ATOM 0 H GLY A 39 0.801 -3.417 2.005 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -0.989 -1.659 0.468 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -1.013 -1.964 2.193 1.00 0.00 H new ATOM 552 N VAL A 40 0.148 0.511 0.829 1.00 0.00 N ATOM 553 CA VAL A 40 0.857 1.778 0.958 1.00 0.00 C ATOM 554 C VAL A 40 -0.085 2.895 1.395 1.00 0.00 C ATOM 555 O VAL A 40 -1.119 3.129 0.769 1.00 0.00 O ATOM 556 CB VAL A 40 1.532 2.180 -0.367 1.00 0.00 C ATOM 557 CG1 VAL A 40 2.432 3.391 -0.164 1.00 0.00 C ATOM 558 CG2 VAL A 40 2.320 1.012 -0.941 1.00 0.00 C ATOM 0 H VAL A 40 -0.593 0.512 0.128 1.00 0.00 H new ATOM 0 HA VAL A 40 1.623 1.635 1.720 1.00 0.00 H new ATOM 0 HB VAL A 40 0.754 2.450 -1.081 1.00 0.00 H new ATOM 0 HG11 VAL A 40 2.900 3.660 -1.111 1.00 0.00 H new ATOM 0 HG12 VAL A 40 1.837 4.230 0.198 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.204 3.152 0.567 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.790 1.315 -1.877 1.00 0.00 H new ATOM 0 HG22 VAL A 40 3.089 0.708 -0.231 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.647 0.175 -1.127 1.00 0.00 H new ATOM 568 N GLU A 41 0.279 3.583 2.473 1.00 0.00 N ATOM 569 CA GLU A 41 -0.534 4.675 2.993 1.00 0.00 C ATOM 570 C GLU A 41 -0.025 6.021 2.487 1.00 0.00 C ATOM 571 O GLU A 41 0.995 6.526 2.955 1.00 0.00 O ATOM 572 CB GLU A 41 -0.530 4.656 4.523 1.00 0.00 C ATOM 573 CG GLU A 41 -1.574 5.569 5.145 1.00 0.00 C ATOM 574 CD GLU A 41 -1.051 6.309 6.362 1.00 0.00 C ATOM 575 OE1 GLU A 41 -0.066 5.834 6.966 1.00 0.00 O ATOM 576 OE2 GLU A 41 -1.627 7.361 6.710 1.00 0.00 O ATOM 0 H GLU A 41 1.132 3.403 3.003 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.555 4.537 2.637 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -0.701 3.636 4.866 1.00 0.00 H new ATOM 0 HB3 GLU A 41 0.457 4.951 4.879 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -1.909 6.292 4.401 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -2.445 4.978 5.430 1.00 0.00 H new ATOM 583 N LEU A 42 -0.744 6.596 1.528 1.00 0.00 N ATOM 584 CA LEU A 42 -0.366 7.884 0.957 1.00 0.00 C ATOM 585 C LEU A 42 -0.562 9.007 1.970 1.00 0.00 C ATOM 586 O LEU A 42 -1.126 8.797 3.043 1.00 0.00 O ATOM 587 CB LEU A 42 -1.187 8.167 -0.302 1.00 0.00 C ATOM 588 CG LEU A 42 -0.990 7.166 -1.442 1.00 0.00 C ATOM 589 CD1 LEU A 42 -1.932 7.479 -2.595 1.00 0.00 C ATOM 590 CD2 LEU A 42 0.455 7.176 -1.915 1.00 0.00 C ATOM 0 H LEU A 42 -1.591 6.191 1.130 1.00 0.00 H new ATOM 0 HA LEU A 42 0.690 7.840 0.691 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.243 8.184 -0.032 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -0.935 9.163 -0.666 1.00 0.00 H new ATOM 0 HG LEU A 42 -1.223 6.169 -1.069 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -1.778 6.757 -3.397 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -2.964 7.421 -2.248 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -1.730 8.483 -2.967 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.577 6.458 -2.726 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.715 8.173 -2.271 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.111 6.904 -1.088 1.00 0.00 H new ATOM 602 N ASP A 43 -0.091 10.200 1.621 1.00 0.00 N ATOM 603 CA ASP A 43 -0.215 11.357 2.500 1.00 0.00 C ATOM 604 C ASP A 43 -1.494 12.133 2.201 1.00 0.00 C ATOM 605 O ASP A 43 -2.181 12.592 3.114 1.00 0.00 O ATOM 606 CB ASP A 43 0.999 12.275 2.345 1.00 0.00 C ATOM 607 CG ASP A 43 1.276 12.626 0.897 1.00 0.00 C ATOM 608 OD1 ASP A 43 0.563 13.492 0.349 1.00 0.00 O ATOM 609 OD2 ASP A 43 2.208 12.036 0.309 1.00 0.00 O ATOM 0 H ASP A 43 0.380 10.391 0.736 1.00 0.00 H new ATOM 0 HA ASP A 43 -0.261 10.997 3.528 1.00 0.00 H new ATOM 0 HB2 ASP A 43 0.834 13.191 2.913 1.00 0.00 H new ATOM 0 HB3 ASP A 43 1.876 11.789 2.772 1.00 0.00 H new ATOM 614 N GLU A 44 -1.807 12.275 0.917 1.00 0.00 N ATOM 615 CA GLU A 44 -3.004 12.995 0.498 1.00 0.00 C ATOM 616 C GLU A 44 -4.117 12.023 0.111 1.00 0.00 C ATOM 617 O GLU A 44 -3.859 10.853 -0.169 1.00 0.00 O ATOM 618 CB GLU A 44 -2.684 13.916 -0.681 1.00 0.00 C ATOM 619 CG GLU A 44 -2.326 15.334 -0.264 1.00 0.00 C ATOM 620 CD GLU A 44 -3.535 16.132 0.182 1.00 0.00 C ATOM 621 OE1 GLU A 44 -4.278 16.624 -0.694 1.00 0.00 O ATOM 622 OE2 GLU A 44 -3.739 16.266 1.406 1.00 0.00 O ATOM 0 H GLU A 44 -1.249 11.901 0.149 1.00 0.00 H new ATOM 0 HA GLU A 44 -3.348 13.598 1.339 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -1.855 13.492 -1.248 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -3.544 13.949 -1.350 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -1.599 15.298 0.548 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -1.846 15.844 -1.099 1.00 0.00 H new ATOM 629 N PRO A 45 -5.375 12.497 0.095 1.00 0.00 N ATOM 630 CA PRO A 45 -6.532 11.666 -0.257 1.00 0.00 C ATOM 631 C PRO A 45 -6.470 11.170 -1.699 1.00 0.00 C ATOM 632 O PRO A 45 -7.198 11.652 -2.566 1.00 0.00 O ATOM 633 CB PRO A 45 -7.733 12.604 -0.064 1.00 0.00 C ATOM 634 CG PRO A 45 -7.223 13.730 0.770 1.00 0.00 C ATOM 635 CD PRO A 45 -5.772 13.876 0.420 1.00 0.00 C ATOM 0 HA PRO A 45 -6.582 10.766 0.355 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -8.109 12.963 -1.022 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -8.558 12.091 0.430 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -7.770 14.650 0.561 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -7.349 13.518 1.832 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -5.625 14.549 -0.425 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -5.194 14.278 1.252 1.00 0.00 H new ATOM 643 N LEU A 46 -5.594 10.202 -1.949 1.00 0.00 N ATOM 644 CA LEU A 46 -5.437 9.640 -3.285 1.00 0.00 C ATOM 645 C LEU A 46 -5.529 8.118 -3.250 1.00 0.00 C ATOM 646 O LEU A 46 -4.923 7.431 -4.072 1.00 0.00 O ATOM 647 CB LEU A 46 -4.096 10.067 -3.887 1.00 0.00 C ATOM 648 CG LEU A 46 -3.817 11.571 -3.847 1.00 0.00 C ATOM 649 CD1 LEU A 46 -2.324 11.832 -3.714 1.00 0.00 C ATOM 650 CD2 LEU A 46 -4.370 12.248 -5.091 1.00 0.00 C ATOM 0 H LEU A 46 -4.982 9.791 -1.244 1.00 0.00 H new ATOM 0 HA LEU A 46 -6.246 10.021 -3.909 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -3.296 9.550 -3.357 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -4.058 9.733 -4.924 1.00 0.00 H new ATOM 0 HG LEU A 46 -4.318 11.992 -2.976 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -2.143 12.907 -3.687 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -1.956 11.379 -2.793 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -1.801 11.398 -4.566 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -4.163 13.317 -5.046 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -3.897 11.824 -5.977 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -5.447 12.089 -5.143 1.00 0.00 H new ATOM 662 N GLY A 47 -6.291 7.599 -2.293 1.00 0.00 N ATOM 663 CA GLY A 47 -6.449 6.162 -2.167 1.00 0.00 C ATOM 664 C GLY A 47 -7.860 5.705 -2.478 1.00 0.00 C ATOM 665 O GLY A 47 -8.685 6.489 -2.946 1.00 0.00 O ATOM 0 H GLY A 47 -6.802 8.148 -1.602 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -5.752 5.662 -2.840 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -6.187 5.858 -1.154 1.00 0.00 H new ATOM 669 N LYS A 48 -8.138 4.432 -2.216 1.00 0.00 N ATOM 670 CA LYS A 48 -9.460 3.869 -2.471 1.00 0.00 C ATOM 671 C LYS A 48 -10.095 3.364 -1.180 1.00 0.00 C ATOM 672 O LYS A 48 -11.292 3.541 -0.954 1.00 0.00 O ATOM 673 CB LYS A 48 -9.364 2.730 -3.486 1.00 0.00 C ATOM 674 CG LYS A 48 -8.619 3.108 -4.756 1.00 0.00 C ATOM 675 CD LYS A 48 -9.564 3.650 -5.816 1.00 0.00 C ATOM 676 CE LYS A 48 -8.854 3.851 -7.145 1.00 0.00 C ATOM 677 NZ LYS A 48 -9.799 4.253 -8.224 1.00 0.00 N ATOM 0 H LYS A 48 -7.466 3.770 -1.827 1.00 0.00 H new ATOM 0 HA LYS A 48 -10.091 4.658 -2.880 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -8.864 1.881 -3.020 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -10.370 2.403 -3.749 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -7.861 3.857 -4.525 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -8.096 2.235 -5.146 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -10.398 2.961 -5.948 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -9.984 4.598 -5.480 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -8.084 4.615 -7.034 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -8.349 2.928 -7.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -9.276 4.380 -9.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -10.519 3.513 -8.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -10.263 5.147 -7.964 1.00 0.00 H new ATOM 691 N ASN A 49 -9.285 2.732 -0.335 1.00 0.00 N ATOM 692 CA ASN A 49 -9.768 2.200 0.934 1.00 0.00 C ATOM 693 C ASN A 49 -8.863 2.629 2.084 1.00 0.00 C ATOM 694 O ASN A 49 -7.924 3.402 1.894 1.00 0.00 O ATOM 695 CB ASN A 49 -9.848 0.674 0.874 1.00 0.00 C ATOM 696 CG ASN A 49 -10.640 0.184 -0.323 1.00 0.00 C ATOM 697 OD1 ASN A 49 -11.863 0.051 -0.259 1.00 0.00 O ATOM 698 ND2 ASN A 49 -9.946 -0.089 -1.421 1.00 0.00 N ATOM 0 H ASN A 49 -8.292 2.576 -0.507 1.00 0.00 H new ATOM 0 HA ASN A 49 -10.765 2.602 1.112 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -8.840 0.261 0.833 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -10.309 0.301 1.789 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -10.425 -0.424 -2.257 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -8.934 0.036 -1.429 1.00 0.00 H new ATOM 705 N ASP A 50 -9.152 2.119 3.278 1.00 0.00 N ATOM 706 CA ASP A 50 -8.363 2.448 4.461 1.00 0.00 C ATOM 707 C ASP A 50 -7.634 1.216 4.987 1.00 0.00 C ATOM 708 O ASP A 50 -7.527 1.014 6.197 1.00 0.00 O ATOM 709 CB ASP A 50 -9.263 3.028 5.553 1.00 0.00 C ATOM 710 CG ASP A 50 -10.514 2.201 5.773 1.00 0.00 C ATOM 711 OD1 ASP A 50 -10.444 1.205 6.524 1.00 0.00 O ATOM 712 OD2 ASP A 50 -11.565 2.549 5.195 1.00 0.00 O ATOM 0 H ASP A 50 -9.926 1.477 3.452 1.00 0.00 H new ATOM 0 HA ASP A 50 -7.620 3.194 4.178 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -8.703 3.090 6.486 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -9.546 4.045 5.284 1.00 0.00 H new ATOM 717 N GLY A 51 -7.134 0.394 4.069 1.00 0.00 N ATOM 718 CA GLY A 51 -6.422 -0.808 4.461 1.00 0.00 C ATOM 719 C GLY A 51 -7.357 -1.929 4.867 1.00 0.00 C ATOM 720 O GLY A 51 -7.019 -2.752 5.719 1.00 0.00 O ATOM 0 H GLY A 51 -7.209 0.539 3.062 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -5.797 -1.142 3.633 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -5.755 -0.577 5.291 1.00 0.00 H new ATOM 724 N ALA A 52 -8.538 -1.962 4.259 1.00 0.00 N ATOM 725 CA ALA A 52 -9.526 -2.990 4.563 1.00 0.00 C ATOM 726 C ALA A 52 -10.128 -3.568 3.286 1.00 0.00 C ATOM 727 O ALA A 52 -10.274 -2.868 2.284 1.00 0.00 O ATOM 728 CB ALA A 52 -10.621 -2.422 5.453 1.00 0.00 C ATOM 0 H ALA A 52 -8.834 -1.288 3.553 1.00 0.00 H new ATOM 0 HA ALA A 52 -9.022 -3.797 5.094 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -11.352 -3.200 5.672 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -10.183 -2.063 6.384 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -11.114 -1.595 4.941 1.00 0.00 H new ATOM 734 N VAL A 53 -10.475 -4.849 3.330 1.00 0.00 N ATOM 735 CA VAL A 53 -11.063 -5.521 2.177 1.00 0.00 C ATOM 736 C VAL A 53 -12.177 -6.470 2.605 1.00 0.00 C ATOM 737 O VAL A 53 -12.005 -7.271 3.524 1.00 0.00 O ATOM 738 CB VAL A 53 -10.003 -6.313 1.388 1.00 0.00 C ATOM 739 CG1 VAL A 53 -10.591 -6.851 0.094 1.00 0.00 C ATOM 740 CG2 VAL A 53 -8.786 -5.444 1.109 1.00 0.00 C ATOM 0 H VAL A 53 -10.360 -5.443 4.151 1.00 0.00 H new ATOM 0 HA VAL A 53 -11.478 -4.744 1.534 1.00 0.00 H new ATOM 0 HB VAL A 53 -9.684 -7.161 1.994 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -9.827 -7.407 -0.449 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -11.428 -7.511 0.321 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -10.940 -6.021 -0.520 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -8.048 -6.020 0.551 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -9.086 -4.575 0.524 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -8.351 -5.114 2.052 1.00 0.00 H new ATOM 750 N ALA A 54 -13.319 -6.373 1.933 1.00 0.00 N ATOM 751 CA ALA A 54 -14.463 -7.222 2.243 1.00 0.00 C ATOM 752 C ALA A 54 -14.947 -6.995 3.672 1.00 0.00 C ATOM 753 O ALA A 54 -15.524 -7.888 4.291 1.00 0.00 O ATOM 754 CB ALA A 54 -14.107 -8.686 2.032 1.00 0.00 C ATOM 0 H ALA A 54 -13.477 -5.715 1.170 1.00 0.00 H new ATOM 0 HA ALA A 54 -15.274 -6.955 1.566 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -14.971 -9.308 2.267 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -13.818 -8.844 0.993 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -13.277 -8.956 2.684 1.00 0.00 H new ATOM 760 N GLY A 55 -14.707 -5.794 4.191 1.00 0.00 N ATOM 761 CA GLY A 55 -15.126 -5.473 5.543 1.00 0.00 C ATOM 762 C GLY A 55 -14.029 -5.705 6.566 1.00 0.00 C ATOM 763 O GLY A 55 -14.041 -5.109 7.643 1.00 0.00 O ATOM 0 H GLY A 55 -14.230 -5.038 3.699 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -15.441 -4.430 5.584 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -15.994 -6.078 5.803 1.00 0.00 H new ATOM 767 N THR A 56 -13.079 -6.573 6.230 1.00 0.00 N ATOM 768 CA THR A 56 -11.973 -6.880 7.129 1.00 0.00 C ATOM 769 C THR A 56 -10.848 -5.861 6.981 1.00 0.00 C ATOM 770 O THR A 56 -10.453 -5.513 5.868 1.00 0.00 O ATOM 771 CB THR A 56 -11.441 -8.287 6.851 1.00 0.00 C ATOM 772 OG1 THR A 56 -12.504 -9.179 6.569 1.00 0.00 O ATOM 773 CG2 THR A 56 -10.650 -8.867 8.004 1.00 0.00 C ATOM 0 H THR A 56 -13.054 -7.075 5.343 1.00 0.00 H new ATOM 0 HA THR A 56 -12.346 -6.833 8.152 1.00 0.00 H new ATOM 0 HB THR A 56 -10.777 -8.179 5.993 1.00 0.00 H new ATOM 0 HG1 THR A 56 -12.143 -10.073 6.392 1.00 0.00 H new ATOM 0 HG21 THR A 56 -10.302 -9.866 7.741 1.00 0.00 H new ATOM 0 HG22 THR A 56 -9.793 -8.228 8.215 1.00 0.00 H new ATOM 0 HG23 THR A 56 -11.285 -8.925 8.888 1.00 0.00 H new ATOM 781 N ARG A 57 -10.336 -5.386 8.112 1.00 0.00 N ATOM 782 CA ARG A 57 -9.254 -4.408 8.112 1.00 0.00 C ATOM 783 C ARG A 57 -7.980 -5.009 8.697 1.00 0.00 C ATOM 784 O ARG A 57 -7.979 -5.508 9.822 1.00 0.00 O ATOM 785 CB ARG A 57 -9.660 -3.164 8.907 1.00 0.00 C ATOM 786 CG ARG A 57 -8.584 -2.093 8.953 1.00 0.00 C ATOM 787 CD ARG A 57 -9.180 -0.709 9.152 1.00 0.00 C ATOM 788 NE ARG A 57 -9.408 -0.407 10.564 1.00 0.00 N ATOM 789 CZ ARG A 57 -10.549 -0.653 11.206 1.00 0.00 C ATOM 790 NH1 ARG A 57 -11.573 -1.210 10.572 1.00 0.00 N ATOM 791 NH2 ARG A 57 -10.665 -0.342 12.490 1.00 0.00 N ATOM 0 H ARG A 57 -10.653 -5.663 9.041 1.00 0.00 H new ATOM 0 HA ARG A 57 -9.058 -4.120 7.079 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -10.563 -2.741 8.467 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -9.910 -3.460 9.926 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -7.888 -2.310 9.763 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -8.010 -2.113 8.026 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -8.511 0.038 8.725 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -10.123 -0.639 8.610 1.00 0.00 H new ATOM 0 HE ARG A 57 -8.645 0.019 11.091 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -11.490 -1.454 9.585 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -12.443 -1.395 11.072 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -9.881 0.085 12.984 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -11.538 -0.530 12.983 1.00 0.00 H new ATOM 805 N TYR A 58 -6.899 -4.958 7.926 1.00 0.00 N ATOM 806 CA TYR A 58 -5.619 -5.501 8.368 1.00 0.00 C ATOM 807 C TYR A 58 -4.857 -4.485 9.212 1.00 0.00 C ATOM 808 O TYR A 58 -4.415 -4.791 10.320 1.00 0.00 O ATOM 809 CB TYR A 58 -4.774 -5.915 7.162 1.00 0.00 C ATOM 810 CG TYR A 58 -5.499 -6.834 6.203 1.00 0.00 C ATOM 811 CD1 TYR A 58 -5.594 -8.197 6.456 1.00 0.00 C ATOM 812 CD2 TYR A 58 -6.087 -6.338 5.047 1.00 0.00 C ATOM 813 CE1 TYR A 58 -6.256 -9.040 5.582 1.00 0.00 C ATOM 814 CE2 TYR A 58 -6.751 -7.175 4.169 1.00 0.00 C ATOM 815 CZ TYR A 58 -6.832 -8.523 4.441 1.00 0.00 C ATOM 816 OH TYR A 58 -7.491 -9.359 3.569 1.00 0.00 O ATOM 0 H TYR A 58 -6.883 -4.547 6.993 1.00 0.00 H new ATOM 0 HA TYR A 58 -5.819 -6.379 8.983 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -4.458 -5.020 6.626 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -3.870 -6.411 7.515 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -5.144 -8.604 7.349 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -6.025 -5.282 4.830 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -6.321 -10.097 5.792 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -7.204 -6.774 3.274 1.00 0.00 H new ATOM 0 HH TYR A 58 -7.840 -8.837 2.816 1.00 0.00 H new ATOM 826 N PHE A 59 -4.703 -3.277 8.681 1.00 0.00 N ATOM 827 CA PHE A 59 -3.993 -2.216 9.387 1.00 0.00 C ATOM 828 C PHE A 59 -4.871 -0.979 9.541 1.00 0.00 C ATOM 829 O PHE A 59 -5.483 -0.515 8.579 1.00 0.00 O ATOM 830 CB PHE A 59 -2.707 -1.853 8.643 1.00 0.00 C ATOM 831 CG PHE A 59 -2.938 -1.392 7.231 1.00 0.00 C ATOM 832 CD1 PHE A 59 -3.296 -2.296 6.244 1.00 0.00 C ATOM 833 CD2 PHE A 59 -2.799 -0.056 6.893 1.00 0.00 C ATOM 834 CE1 PHE A 59 -3.510 -1.876 4.944 1.00 0.00 C ATOM 835 CE2 PHE A 59 -3.012 0.371 5.596 1.00 0.00 C ATOM 836 CZ PHE A 59 -3.368 -0.541 4.620 1.00 0.00 C ATOM 0 H PHE A 59 -5.060 -3.008 7.764 1.00 0.00 H new ATOM 0 HA PHE A 59 -3.739 -2.584 10.381 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -2.189 -1.067 9.193 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -2.048 -2.721 8.630 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -3.409 -3.341 6.493 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -2.521 0.660 7.652 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -3.788 -2.591 4.183 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -2.901 1.416 5.345 1.00 0.00 H new ATOM 0 HZ PHE A 59 -3.535 -0.210 3.606 1.00 0.00 H new ATOM 846 N GLN A 60 -4.929 -0.450 10.759 1.00 0.00 N ATOM 847 CA GLN A 60 -5.733 0.734 11.041 1.00 0.00 C ATOM 848 C GLN A 60 -5.181 1.953 10.307 1.00 0.00 C ATOM 849 O GLN A 60 -4.037 2.353 10.520 1.00 0.00 O ATOM 850 CB GLN A 60 -5.768 1.004 12.546 1.00 0.00 C ATOM 851 CG GLN A 60 -6.666 2.167 12.935 1.00 0.00 C ATOM 852 CD GLN A 60 -8.129 1.899 12.640 1.00 0.00 C ATOM 853 OE1 GLN A 60 -8.836 1.298 13.448 1.00 0.00 O ATOM 854 NE2 GLN A 60 -8.591 2.344 11.477 1.00 0.00 N ATOM 0 H GLN A 60 -4.429 -0.822 11.566 1.00 0.00 H new ATOM 0 HA GLN A 60 -6.747 0.548 10.688 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -6.109 0.105 13.060 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -4.755 1.206 12.894 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -6.546 2.374 13.998 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -6.349 3.061 12.398 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -7.969 2.838 10.837 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -9.567 2.192 11.224 1.00 0.00 H new ATOM 863 N CYS A 61 -6.004 2.539 9.443 1.00 0.00 N ATOM 864 CA CYS A 61 -5.600 3.712 8.677 1.00 0.00 C ATOM 865 C CYS A 61 -6.812 4.561 8.301 1.00 0.00 C ATOM 866 O CYS A 61 -7.945 4.082 8.321 1.00 0.00 O ATOM 867 CB CYS A 61 -4.845 3.288 7.415 1.00 0.00 C ATOM 868 SG CYS A 61 -3.046 3.284 7.598 1.00 0.00 S ATOM 0 H CYS A 61 -6.955 2.220 9.256 1.00 0.00 H new ATOM 0 HA CYS A 61 -4.939 4.313 9.301 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -5.172 2.289 7.127 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -5.115 3.959 6.600 1.00 0.00 H new ATOM 0 HG CYS A 61 -2.547 2.271 6.955 1.00 0.00 H new ATOM 874 N PRO A 62 -6.587 5.839 7.951 1.00 0.00 N ATOM 875 CA PRO A 62 -7.666 6.755 7.569 1.00 0.00 C ATOM 876 C PRO A 62 -8.235 6.437 6.188 1.00 0.00 C ATOM 877 O PRO A 62 -7.617 5.717 5.403 1.00 0.00 O ATOM 878 CB PRO A 62 -6.983 8.122 7.565 1.00 0.00 C ATOM 879 CG PRO A 62 -5.554 7.827 7.270 1.00 0.00 C ATOM 880 CD PRO A 62 -5.265 6.491 7.901 1.00 0.00 C ATOM 0 HA PRO A 62 -8.517 6.690 8.247 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -7.416 8.779 6.811 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -7.094 8.623 8.526 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -5.376 7.797 6.195 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -4.904 8.600 7.679 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -4.555 5.913 7.309 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -4.835 6.602 8.896 1.00 0.00 H new ATOM 888 N PRO A 63 -9.426 6.974 5.871 1.00 0.00 N ATOM 889 CA PRO A 63 -10.077 6.745 4.578 1.00 0.00 C ATOM 890 C PRO A 63 -9.364 7.458 3.434 1.00 0.00 C ATOM 891 O PRO A 63 -8.840 8.559 3.607 1.00 0.00 O ATOM 892 CB PRO A 63 -11.478 7.325 4.777 1.00 0.00 C ATOM 893 CG PRO A 63 -11.312 8.358 5.837 1.00 0.00 C ATOM 894 CD PRO A 63 -10.231 7.846 6.750 1.00 0.00 C ATOM 0 HA PRO A 63 -10.072 5.690 4.302 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -11.860 7.762 3.855 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -12.186 6.554 5.082 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -11.035 9.319 5.405 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -12.243 8.511 6.382 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -9.635 8.660 7.163 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -10.645 7.294 7.594 1.00 0.00 H new ATOM 902 N LYS A 64 -9.346 6.824 2.266 1.00 0.00 N ATOM 903 CA LYS A 64 -8.696 7.398 1.093 1.00 0.00 C ATOM 904 C LYS A 64 -7.200 7.572 1.331 1.00 0.00 C ATOM 905 O LYS A 64 -6.595 8.538 0.864 1.00 0.00 O ATOM 906 CB LYS A 64 -9.332 8.744 0.738 1.00 0.00 C ATOM 907 CG LYS A 64 -10.454 8.636 -0.283 1.00 0.00 C ATOM 908 CD LYS A 64 -11.764 8.228 0.369 1.00 0.00 C ATOM 909 CE LYS A 64 -11.853 6.721 0.548 1.00 0.00 C ATOM 910 NZ LYS A 64 -13.218 6.205 0.247 1.00 0.00 N ATOM 0 H LYS A 64 -9.774 5.912 2.106 1.00 0.00 H new ATOM 0 HA LYS A 64 -8.833 6.710 0.259 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -9.722 9.203 1.646 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -8.561 9.410 0.350 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -10.581 9.593 -0.788 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -10.184 7.906 -1.046 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -11.856 8.717 1.339 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -12.598 8.573 -0.242 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -11.129 6.234 -0.105 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -11.584 6.461 1.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -13.237 5.174 0.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -13.906 6.650 0.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -13.465 6.431 -0.738 1.00 0.00 H new ATOM 924 N PHE A 65 -6.607 6.632 2.058 1.00 0.00 N ATOM 925 CA PHE A 65 -5.181 6.681 2.357 1.00 0.00 C ATOM 926 C PHE A 65 -4.530 5.320 2.130 1.00 0.00 C ATOM 927 O PHE A 65 -3.495 5.217 1.473 1.00 0.00 O ATOM 928 CB PHE A 65 -4.955 7.133 3.800 1.00 0.00 C ATOM 929 CG PHE A 65 -4.753 8.616 3.941 1.00 0.00 C ATOM 930 CD1 PHE A 65 -5.764 9.500 3.603 1.00 0.00 C ATOM 931 CD2 PHE A 65 -3.551 9.122 4.409 1.00 0.00 C ATOM 932 CE1 PHE A 65 -5.581 10.864 3.733 1.00 0.00 C ATOM 933 CE2 PHE A 65 -3.362 10.485 4.539 1.00 0.00 C ATOM 934 CZ PHE A 65 -4.378 11.358 4.200 1.00 0.00 C ATOM 0 H PHE A 65 -7.092 5.826 2.452 1.00 0.00 H new ATOM 0 HA PHE A 65 -4.719 7.402 1.682 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -5.811 6.832 4.404 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -4.083 6.616 4.202 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -6.705 9.120 3.234 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -2.753 8.444 4.675 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -6.378 11.543 3.470 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -2.421 10.867 4.905 1.00 0.00 H new ATOM 0 HZ PHE A 65 -4.232 12.423 4.300 1.00 0.00 H new ATOM 944 N GLY A 66 -5.146 4.278 2.678 1.00 0.00 N ATOM 945 CA GLY A 66 -4.614 2.936 2.524 1.00 0.00 C ATOM 946 C GLY A 66 -4.879 2.362 1.146 1.00 0.00 C ATOM 947 O GLY A 66 -6.029 2.122 0.778 1.00 0.00 O ATOM 0 H GLY A 66 -6.004 4.338 3.226 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -3.540 2.951 2.708 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -5.057 2.284 3.277 1.00 0.00 H new ATOM 951 N LEU A 67 -3.814 2.143 0.383 1.00 0.00 N ATOM 952 CA LEU A 67 -3.937 1.594 -0.963 1.00 0.00 C ATOM 953 C LEU A 67 -3.296 0.212 -1.049 1.00 0.00 C ATOM 954 O LEU A 67 -2.298 -0.063 -0.383 1.00 0.00 O ATOM 955 CB LEU A 67 -3.287 2.533 -1.981 1.00 0.00 C ATOM 956 CG LEU A 67 -4.006 2.625 -3.328 1.00 0.00 C ATOM 957 CD1 LEU A 67 -5.414 3.171 -3.145 1.00 0.00 C ATOM 958 CD2 LEU A 67 -3.217 3.497 -4.294 1.00 0.00 C ATOM 0 H LEU A 67 -2.856 2.337 0.673 1.00 0.00 H new ATOM 0 HA LEU A 67 -4.998 1.498 -1.192 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -3.231 3.531 -1.547 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -2.263 2.203 -2.155 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.078 1.622 -3.749 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -5.910 3.229 -4.114 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -5.978 2.509 -2.488 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -5.364 4.166 -2.702 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.743 3.552 -5.247 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -3.114 4.499 -3.878 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -2.228 3.065 -4.449 1.00 0.00 H new ATOM 970 N PHE A 68 -3.876 -0.653 -1.873 1.00 0.00 N ATOM 971 CA PHE A 68 -3.361 -2.007 -2.048 1.00 0.00 C ATOM 972 C PHE A 68 -2.847 -2.213 -3.469 1.00 0.00 C ATOM 973 O PHE A 68 -3.627 -2.284 -4.418 1.00 0.00 O ATOM 974 CB PHE A 68 -4.452 -3.034 -1.735 1.00 0.00 C ATOM 975 CG PHE A 68 -4.791 -3.124 -0.275 1.00 0.00 C ATOM 976 CD1 PHE A 68 -4.017 -3.887 0.584 1.00 0.00 C ATOM 977 CD2 PHE A 68 -5.886 -2.446 0.238 1.00 0.00 C ATOM 978 CE1 PHE A 68 -4.328 -3.971 1.928 1.00 0.00 C ATOM 979 CE2 PHE A 68 -6.202 -2.527 1.581 1.00 0.00 C ATOM 980 CZ PHE A 68 -5.421 -3.290 2.428 1.00 0.00 C ATOM 0 H PHE A 68 -4.703 -0.441 -2.431 1.00 0.00 H new ATOM 0 HA PHE A 68 -2.531 -2.146 -1.356 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -5.352 -2.777 -2.293 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -4.128 -4.014 -2.085 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -3.161 -4.422 0.199 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -6.499 -1.848 -0.419 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -3.717 -4.569 2.587 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -7.058 -1.995 1.968 1.00 0.00 H new ATOM 0 HZ PHE A 68 -5.664 -3.354 3.478 1.00 0.00 H new ATOM 990 N ALA A 69 -1.529 -2.310 -3.607 1.00 0.00 N ATOM 991 CA ALA A 69 -0.911 -2.510 -4.912 1.00 0.00 C ATOM 992 C ALA A 69 0.054 -3.693 -4.887 1.00 0.00 C ATOM 993 O ALA A 69 0.670 -3.980 -3.862 1.00 0.00 O ATOM 994 CB ALA A 69 -0.186 -1.246 -5.350 1.00 0.00 C ATOM 0 H ALA A 69 -0.869 -2.253 -2.832 1.00 0.00 H new ATOM 0 HA ALA A 69 -1.700 -2.733 -5.631 1.00 0.00 H new ATOM 0 HB1 ALA A 69 0.271 -1.408 -6.326 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -0.897 -0.423 -5.415 1.00 0.00 H new ATOM 0 HB3 ALA A 69 0.588 -1.000 -4.623 1.00 0.00 H new ATOM 1000 N PRO A 70 0.196 -4.397 -6.023 1.00 0.00 N ATOM 1001 CA PRO A 70 1.092 -5.554 -6.126 1.00 0.00 C ATOM 1002 C PRO A 70 2.507 -5.233 -5.658 1.00 0.00 C ATOM 1003 O PRO A 70 3.020 -4.142 -5.905 1.00 0.00 O ATOM 1004 CB PRO A 70 1.084 -5.882 -7.620 1.00 0.00 C ATOM 1005 CG PRO A 70 -0.212 -5.344 -8.121 1.00 0.00 C ATOM 1006 CD PRO A 70 -0.501 -4.122 -7.293 1.00 0.00 C ATOM 0 HA PRO A 70 0.764 -6.380 -5.495 1.00 0.00 H new ATOM 0 HB2 PRO A 70 1.928 -5.419 -8.131 1.00 0.00 H new ATOM 0 HB3 PRO A 70 1.158 -6.956 -7.790 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -0.147 -5.092 -9.179 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -1.007 -6.082 -8.018 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -0.126 -3.216 -7.769 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -1.571 -3.983 -7.142 1.00 0.00 H new ATOM 1014 N ILE A 71 3.134 -6.190 -4.982 1.00 0.00 N ATOM 1015 CA ILE A 71 4.490 -6.008 -4.480 1.00 0.00 C ATOM 1016 C ILE A 71 5.466 -5.734 -5.622 1.00 0.00 C ATOM 1017 O ILE A 71 6.290 -4.823 -5.540 1.00 0.00 O ATOM 1018 CB ILE A 71 4.968 -7.242 -3.687 1.00 0.00 C ATOM 1019 CG1 ILE A 71 6.354 -6.990 -3.088 1.00 0.00 C ATOM 1020 CG2 ILE A 71 4.984 -8.477 -4.576 1.00 0.00 C ATOM 1021 CD1 ILE A 71 6.513 -7.530 -1.684 1.00 0.00 C ATOM 0 H ILE A 71 2.724 -7.100 -4.769 1.00 0.00 H new ATOM 0 HA ILE A 71 4.469 -5.147 -3.812 1.00 0.00 H new ATOM 0 HB ILE A 71 4.268 -7.419 -2.870 1.00 0.00 H new ATOM 0 HG12 ILE A 71 7.107 -7.445 -3.731 1.00 0.00 H new ATOM 0 HG13 ILE A 71 6.548 -5.917 -3.080 1.00 0.00 H new ATOM 0 HG21 ILE A 71 5.324 -9.337 -3.998 1.00 0.00 H new ATOM 0 HG22 ILE A 71 3.979 -8.667 -4.953 1.00 0.00 H new ATOM 0 HG23 ILE A 71 5.661 -8.313 -5.415 1.00 0.00 H new ATOM 0 HD11 ILE A 71 7.519 -7.315 -1.323 1.00 0.00 H new ATOM 0 HD12 ILE A 71 5.783 -7.056 -1.027 1.00 0.00 H new ATOM 0 HD13 ILE A 71 6.351 -8.608 -1.688 1.00 0.00 H new ATOM 1033 N HIS A 72 5.364 -6.524 -6.685 1.00 0.00 N ATOM 1034 CA HIS A 72 6.239 -6.362 -7.841 1.00 0.00 C ATOM 1035 C HIS A 72 5.983 -5.029 -8.542 1.00 0.00 C ATOM 1036 O HIS A 72 6.805 -4.567 -9.334 1.00 0.00 O ATOM 1037 CB HIS A 72 6.046 -7.518 -8.826 1.00 0.00 C ATOM 1038 CG HIS A 72 4.613 -7.795 -9.163 1.00 0.00 C ATOM 1039 ND1 HIS A 72 3.765 -8.534 -8.368 1.00 0.00 N ATOM 1040 CD2 HIS A 72 3.881 -7.416 -10.241 1.00 0.00 C ATOM 1041 CE1 HIS A 72 2.570 -8.581 -8.975 1.00 0.00 C ATOM 1042 NE2 HIS A 72 2.588 -7.918 -10.115 1.00 0.00 N ATOM 0 H HIS A 72 4.686 -7.281 -6.771 1.00 0.00 H new ATOM 0 HA HIS A 72 7.269 -6.369 -7.484 1.00 0.00 H new ATOM 0 HB2 HIS A 72 6.588 -7.294 -9.745 1.00 0.00 H new ATOM 0 HB3 HIS A 72 6.491 -8.420 -8.405 1.00 0.00 H new ATOM 0 HD2 HIS A 72 4.243 -6.820 -11.065 1.00 0.00 H new ATOM 0 HE1 HIS A 72 1.705 -9.095 -8.581 1.00 0.00 H new ATOM 0 HE2 HIS A 72 1.815 -7.798 -10.769 1.00 0.00 H new ATOM 1050 N LYS A 73 4.841 -4.412 -8.247 1.00 0.00 N ATOM 1051 CA LYS A 73 4.487 -3.132 -8.850 1.00 0.00 C ATOM 1052 C LYS A 73 4.803 -1.973 -7.907 1.00 0.00 C ATOM 1053 O LYS A 73 4.238 -0.887 -8.035 1.00 0.00 O ATOM 1054 CB LYS A 73 3.003 -3.111 -9.219 1.00 0.00 C ATOM 1055 CG LYS A 73 2.624 -4.135 -10.276 1.00 0.00 C ATOM 1056 CD LYS A 73 3.007 -3.666 -11.671 1.00 0.00 C ATOM 1057 CE LYS A 73 1.805 -3.128 -12.429 1.00 0.00 C ATOM 1058 NZ LYS A 73 1.954 -3.303 -13.901 1.00 0.00 N ATOM 0 H LYS A 73 4.147 -4.778 -7.595 1.00 0.00 H new ATOM 0 HA LYS A 73 5.083 -3.012 -9.754 1.00 0.00 H new ATOM 0 HB2 LYS A 73 2.412 -3.292 -8.321 1.00 0.00 H new ATOM 0 HB3 LYS A 73 2.741 -2.116 -9.579 1.00 0.00 H new ATOM 0 HG2 LYS A 73 3.120 -5.082 -10.061 1.00 0.00 H new ATOM 0 HG3 LYS A 73 1.551 -4.321 -10.236 1.00 0.00 H new ATOM 0 HD2 LYS A 73 3.769 -2.890 -11.598 1.00 0.00 H new ATOM 0 HD3 LYS A 73 3.447 -4.494 -12.226 1.00 0.00 H new ATOM 0 HE2 LYS A 73 0.904 -3.640 -12.092 1.00 0.00 H new ATOM 0 HE3 LYS A 73 1.675 -2.070 -12.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 1.114 -2.924 -14.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 2.800 -2.793 -14.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 2.053 -4.314 -14.122 1.00 0.00 H new ATOM 1072 N VAL A 74 5.707 -2.209 -6.960 1.00 0.00 N ATOM 1073 CA VAL A 74 6.092 -1.180 -6.001 1.00 0.00 C ATOM 1074 C VAL A 74 7.486 -0.638 -6.305 1.00 0.00 C ATOM 1075 O VAL A 74 8.300 -1.311 -6.937 1.00 0.00 O ATOM 1076 CB VAL A 74 6.066 -1.717 -4.558 1.00 0.00 C ATOM 1077 CG1 VAL A 74 6.302 -0.592 -3.562 1.00 0.00 C ATOM 1078 CG2 VAL A 74 4.748 -2.422 -4.276 1.00 0.00 C ATOM 0 H VAL A 74 6.185 -3.102 -6.837 1.00 0.00 H new ATOM 0 HA VAL A 74 5.363 -0.375 -6.093 1.00 0.00 H new ATOM 0 HB VAL A 74 6.872 -2.442 -4.446 1.00 0.00 H new ATOM 0 HG11 VAL A 74 6.280 -0.993 -2.549 1.00 0.00 H new ATOM 0 HG12 VAL A 74 7.274 -0.137 -3.751 1.00 0.00 H new ATOM 0 HG13 VAL A 74 5.521 0.161 -3.672 1.00 0.00 H new ATOM 0 HG21 VAL A 74 4.747 -2.795 -3.252 1.00 0.00 H new ATOM 0 HG22 VAL A 74 3.925 -1.720 -4.407 1.00 0.00 H new ATOM 0 HG23 VAL A 74 4.627 -3.257 -4.966 1.00 0.00 H new ATOM 1088 N ILE A 75 7.751 0.582 -5.849 1.00 0.00 N ATOM 1089 CA ILE A 75 9.046 1.215 -6.070 1.00 0.00 C ATOM 1090 C ILE A 75 9.592 1.812 -4.779 1.00 0.00 C ATOM 1091 O ILE A 75 8.909 2.580 -4.100 1.00 0.00 O ATOM 1092 CB ILE A 75 8.956 2.324 -7.136 1.00 0.00 C ATOM 1093 CG1 ILE A 75 8.216 1.812 -8.374 1.00 0.00 C ATOM 1094 CG2 ILE A 75 10.346 2.814 -7.509 1.00 0.00 C ATOM 1095 CD1 ILE A 75 6.725 2.067 -8.335 1.00 0.00 C ATOM 0 H ILE A 75 7.087 1.151 -5.325 1.00 0.00 H new ATOM 0 HA ILE A 75 9.722 0.436 -6.423 1.00 0.00 H new ATOM 0 HB ILE A 75 8.396 3.162 -6.721 1.00 0.00 H new ATOM 0 HG12 ILE A 75 8.635 2.288 -9.261 1.00 0.00 H new ATOM 0 HG13 ILE A 75 8.391 0.741 -8.475 1.00 0.00 H new ATOM 0 HG21 ILE A 75 10.266 3.597 -8.263 1.00 0.00 H new ATOM 0 HG22 ILE A 75 10.841 3.212 -6.623 1.00 0.00 H new ATOM 0 HG23 ILE A 75 10.929 1.984 -7.908 1.00 0.00 H new ATOM 0 HD11 ILE A 75 6.265 1.678 -9.244 1.00 0.00 H new ATOM 0 HD12 ILE A 75 6.293 1.568 -7.468 1.00 0.00 H new ATOM 0 HD13 ILE A 75 6.541 3.139 -8.266 1.00 0.00 H new ATOM 1107 N ARG A 76 10.828 1.454 -4.443 1.00 0.00 N ATOM 1108 CA ARG A 76 11.466 1.955 -3.232 1.00 0.00 C ATOM 1109 C ARG A 76 12.060 3.341 -3.464 1.00 0.00 C ATOM 1110 O ARG A 76 13.047 3.491 -4.185 1.00 0.00 O ATOM 1111 CB ARG A 76 12.556 0.986 -2.768 1.00 0.00 C ATOM 1112 CG ARG A 76 12.224 0.277 -1.464 1.00 0.00 C ATOM 1113 CD ARG A 76 13.342 -0.660 -1.039 1.00 0.00 C ATOM 1114 NE ARG A 76 13.110 -2.029 -1.491 1.00 0.00 N ATOM 1115 CZ ARG A 76 13.976 -3.025 -1.315 1.00 0.00 C ATOM 1116 NH1 ARG A 76 15.132 -2.808 -0.700 1.00 0.00 N ATOM 1117 NH2 ARG A 76 13.686 -4.241 -1.757 1.00 0.00 N ATOM 0 H ARG A 76 11.407 0.819 -4.993 1.00 0.00 H new ATOM 0 HA ARG A 76 10.706 2.033 -2.454 1.00 0.00 H new ATOM 0 HB2 ARG A 76 12.723 0.240 -3.545 1.00 0.00 H new ATOM 0 HB3 ARG A 76 13.490 1.534 -2.646 1.00 0.00 H new ATOM 0 HG2 ARG A 76 12.050 1.015 -0.681 1.00 0.00 H new ATOM 0 HG3 ARG A 76 11.299 -0.288 -1.581 1.00 0.00 H new ATOM 0 HD2 ARG A 76 14.289 -0.301 -1.442 1.00 0.00 H new ATOM 0 HD3 ARG A 76 13.432 -0.647 0.047 1.00 0.00 H new ATOM 0 HE ARG A 76 12.233 -2.234 -1.970 1.00 0.00 H new ATOM 0 HH11 ARG A 76 15.361 -1.874 -0.359 1.00 0.00 H new ATOM 0 HH12 ARG A 76 15.791 -3.575 -0.568 1.00 0.00 H new ATOM 0 HH21 ARG A 76 12.800 -4.413 -2.232 1.00 0.00 H new ATOM 0 HH22 ARG A 76 14.349 -5.004 -1.622 1.00 0.00 H new ATOM 1131 N ILE A 77 11.454 4.350 -2.847 1.00 0.00 N ATOM 1132 CA ILE A 77 11.922 5.723 -2.986 1.00 0.00 C ATOM 1133 C ILE A 77 13.147 5.977 -2.114 1.00 0.00 C ATOM 1134 O ILE A 77 14.016 6.775 -2.464 1.00 0.00 O ATOM 1135 CB ILE A 77 10.822 6.734 -2.611 1.00 0.00 C ATOM 1136 CG1 ILE A 77 9.513 6.382 -3.321 1.00 0.00 C ATOM 1137 CG2 ILE A 77 11.258 8.148 -2.961 1.00 0.00 C ATOM 1138 CD1 ILE A 77 8.328 7.192 -2.839 1.00 0.00 C ATOM 0 H ILE A 77 10.637 4.242 -2.246 1.00 0.00 H new ATOM 0 HA ILE A 77 12.189 5.860 -4.034 1.00 0.00 H new ATOM 0 HB ILE A 77 10.655 6.684 -1.535 1.00 0.00 H new ATOM 0 HG12 ILE A 77 9.637 6.537 -4.393 1.00 0.00 H new ATOM 0 HG13 ILE A 77 9.303 5.323 -3.174 1.00 0.00 H new ATOM 0 HG21 ILE A 77 10.469 8.850 -2.690 1.00 0.00 H new ATOM 0 HG22 ILE A 77 12.167 8.395 -2.413 1.00 0.00 H new ATOM 0 HG23 ILE A 77 11.450 8.215 -4.032 1.00 0.00 H new ATOM 0 HD11 ILE A 77 7.434 6.890 -3.385 1.00 0.00 H new ATOM 0 HD12 ILE A 77 8.178 7.018 -1.773 1.00 0.00 H new ATOM 0 HD13 ILE A 77 8.517 8.252 -3.011 1.00 0.00 H new ATOM 1150 N GLY A 78 13.208 5.292 -0.976 1.00 0.00 N ATOM 1151 CA GLY A 78 14.330 5.456 -0.070 1.00 0.00 C ATOM 1152 C GLY A 78 14.901 4.131 0.393 1.00 0.00 C ATOM 1153 O GLY A 78 14.502 3.073 -0.093 1.00 0.00 O ATOM 0 H GLY A 78 12.500 4.626 -0.665 1.00 0.00 H new ATOM 0 HA2 GLY A 78 15.112 6.031 -0.566 1.00 0.00 H new ATOM 0 HA3 GLY A 78 14.011 6.033 0.798 1.00 0.00 H new ATOM 1157 N SER A 79 15.837 4.188 1.334 1.00 0.00 N ATOM 1158 CA SER A 79 16.464 2.982 1.864 1.00 0.00 C ATOM 1159 C SER A 79 16.187 2.835 3.356 1.00 0.00 C ATOM 1160 O SER A 79 15.598 3.720 3.979 1.00 0.00 O ATOM 1161 CB SER A 79 17.973 3.017 1.614 1.00 0.00 C ATOM 1162 OG SER A 79 18.465 1.728 1.286 1.00 0.00 O ATOM 0 H SER A 79 16.179 5.056 1.746 1.00 0.00 H new ATOM 0 HA SER A 79 16.036 2.122 1.348 1.00 0.00 H new ATOM 0 HB2 SER A 79 18.195 3.712 0.804 1.00 0.00 H new ATOM 0 HB3 SER A 79 18.484 3.390 2.502 1.00 0.00 H new ATOM 0 HG SER A 79 19.431 1.777 1.129 1.00 0.00 H new ATOM 1168 N GLY A 80 16.616 1.713 3.925 1.00 0.00 N ATOM 1169 CA GLY A 80 16.404 1.472 5.339 1.00 0.00 C ATOM 1170 C GLY A 80 17.068 0.192 5.816 1.00 0.00 C ATOM 1171 O GLY A 80 16.464 -0.879 5.760 1.00 0.00 O ATOM 0 H GLY A 80 17.106 0.967 3.432 1.00 0.00 H new ATOM 0 HA2 GLY A 80 16.794 2.315 5.910 1.00 0.00 H new ATOM 0 HA3 GLY A 80 15.334 1.419 5.539 1.00 0.00 H new ATOM 1175 N PRO A 81 18.321 0.273 6.293 1.00 0.00 N ATOM 1176 CA PRO A 81 19.058 -0.899 6.780 1.00 0.00 C ATOM 1177 C PRO A 81 18.478 -1.448 8.078 1.00 0.00 C ATOM 1178 O PRO A 81 18.585 -2.642 8.362 1.00 0.00 O ATOM 1179 CB PRO A 81 20.472 -0.362 7.011 1.00 0.00 C ATOM 1180 CG PRO A 81 20.290 1.098 7.244 1.00 0.00 C ATOM 1181 CD PRO A 81 19.119 1.509 6.397 1.00 0.00 C ATOM 0 HA PRO A 81 19.014 -1.729 6.075 1.00 0.00 H new ATOM 0 HB2 PRO A 81 20.943 -0.844 7.868 1.00 0.00 H new ATOM 0 HB3 PRO A 81 21.112 -0.548 6.149 1.00 0.00 H new ATOM 0 HG2 PRO A 81 20.101 1.305 8.297 1.00 0.00 H new ATOM 0 HG3 PRO A 81 21.186 1.652 6.966 1.00 0.00 H new ATOM 0 HD2 PRO A 81 18.551 2.316 6.861 1.00 0.00 H new ATOM 0 HD3 PRO A 81 19.437 1.865 5.417 1.00 0.00 H new ATOM 1189 N SER A 82 17.862 -0.571 8.865 1.00 0.00 N ATOM 1190 CA SER A 82 17.265 -0.968 10.133 1.00 0.00 C ATOM 1191 C SER A 82 18.317 -1.551 11.072 1.00 0.00 C ATOM 1192 O SER A 82 18.784 -2.672 10.877 1.00 0.00 O ATOM 1193 CB SER A 82 16.153 -1.992 9.898 1.00 0.00 C ATOM 1194 OG SER A 82 15.540 -1.801 8.635 1.00 0.00 O ATOM 0 H SER A 82 17.764 0.420 8.645 1.00 0.00 H new ATOM 0 HA SER A 82 16.840 -0.079 10.599 1.00 0.00 H new ATOM 0 HB2 SER A 82 16.564 -3.000 9.957 1.00 0.00 H new ATOM 0 HB3 SER A 82 15.404 -1.907 10.685 1.00 0.00 H new ATOM 0 HG SER A 82 14.834 -2.469 8.509 1.00 0.00 H new ATOM 1200 N SER A 83 18.685 -0.779 12.091 1.00 0.00 N ATOM 1201 CA SER A 83 19.682 -1.218 13.059 1.00 0.00 C ATOM 1202 C SER A 83 19.812 -0.214 14.200 1.00 0.00 C ATOM 1203 O SER A 83 19.764 0.996 13.983 1.00 0.00 O ATOM 1204 CB SER A 83 21.038 -1.410 12.377 1.00 0.00 C ATOM 1205 OG SER A 83 21.997 -1.928 13.282 1.00 0.00 O ATOM 0 H SER A 83 18.308 0.152 12.266 1.00 0.00 H new ATOM 0 HA SER A 83 19.353 -2.171 13.473 1.00 0.00 H new ATOM 0 HB2 SER A 83 20.930 -2.088 11.530 1.00 0.00 H new ATOM 0 HB3 SER A 83 21.387 -0.457 11.980 1.00 0.00 H new ATOM 0 HG SER A 83 22.854 -2.043 12.820 1.00 0.00 H new ATOM 1211 N GLY A 84 19.976 -0.726 15.416 1.00 0.00 N ATOM 1212 CA GLY A 84 20.109 0.140 16.574 1.00 0.00 C ATOM 1213 C GLY A 84 21.432 -0.049 17.289 1.00 0.00 C ATOM 1214 O GLY A 84 22.450 0.495 16.809 1.00 0.00 O ATOM 1215 OXT GLY A 84 21.451 -0.739 18.331 1.00 0.00 O ATOM 0 H GLY A 84 20.019 -1.724 15.620 1.00 0.00 H new ATOM 0 HA2 GLY A 84 20.014 1.179 16.260 1.00 0.00 H new ATOM 0 HA3 GLY A 84 19.292 -0.059 17.268 1.00 0.00 H new TER 1219 GLY A 84