USER MOD reduce.3.24.130724 H: found=0, std=0, add=367, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 367 hydrogens (15 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 NoAdj-H: A 50 AAR HA : A 50 AAR CA : A 50 AAR N :(H bumps) USER MOD NoAdj-H: A 50 AAR H2 : A 50 AAR N : A 49 ARG C :(H bumps) USER MOD Single : A 1 SER N :NH3+ 144:sc= 0.0438 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0.0499 USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 3 GLN : amide:sc= -2.96! K(o=-3!,f=-0.067) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 HIS : no HD1:sc= -0.466 X(o=-0.47,f=-0.033) USER MOD Single : A 11 SER OG : rot 180:sc= 0.59 USER MOD Single : A 12 HIS : no HE2:sc= -1.03 K(o=-1,f=-5.8!) USER MOD Single : A 13 SER OG : rot 180:sc= 0.0494 USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 ASN : amide:sc= -2.4 K(o=-2.4,f=-0.66) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot -48:sc= 0.539 USER MOD Single : A 28 HIS : no HD1:sc= -0.307 X(o=-0.31,f=-0.0045) USER MOD Single : A 30 TYR OH : rot -130:sc= 0.551 USER MOD Single : A 31 THR OG1 : rot -18:sc= 1.41 USER MOD Single : A 35 ASN : amide:sc= -2.38 K(o=-2.4,f=-6.1!) USER MOD Single : A 36 ASN : amide:sc= -3.31! C(o=-3.3!,f=-10!) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 10.642 -3.459 2.476 1.00 0.00 N ATOM 2 CA SER A 1 10.513 -4.162 1.180 1.00 0.00 C ATOM 3 C SER A 1 9.812 -5.512 1.349 1.00 0.00 C ATOM 4 O SER A 1 10.395 -6.560 1.075 1.00 0.00 O ATOM 5 CB SER A 1 11.902 -4.369 0.579 1.00 0.00 C ATOM 6 OG SER A 1 12.622 -3.148 0.529 1.00 0.00 O ATOM 0 H1 SER A 1 11.545 -2.944 2.503 1.00 0.00 H new ATOM 0 H2 SER A 1 9.856 -2.787 2.586 1.00 0.00 H new ATOM 0 H3 SER A 1 10.615 -4.152 3.251 1.00 0.00 H new ATOM 0 HA SER A 1 9.906 -3.551 0.512 1.00 0.00 H new ATOM 0 HB2 SER A 1 12.454 -5.097 1.173 1.00 0.00 H new ATOM 0 HB3 SER A 1 11.810 -4.782 -0.425 1.00 0.00 H new ATOM 0 HG SER A 1 13.508 -3.307 0.142 1.00 0.00 H new ATOM 14 N TYR A 2 8.559 -5.485 1.809 1.00 0.00 N ATOM 15 CA TYR A 2 7.771 -6.706 1.970 1.00 0.00 C ATOM 16 C TYR A 2 7.658 -7.458 0.647 1.00 0.00 C ATOM 17 O TYR A 2 7.760 -8.681 0.606 1.00 0.00 O ATOM 18 CB TYR A 2 6.381 -6.369 2.522 1.00 0.00 C ATOM 19 CG TYR A 2 5.426 -7.542 2.567 1.00 0.00 C ATOM 20 CD1 TYR A 2 5.728 -8.690 3.290 1.00 0.00 C ATOM 21 CD2 TYR A 2 4.218 -7.498 1.883 1.00 0.00 C ATOM 22 CE1 TYR A 2 4.855 -9.760 3.324 1.00 0.00 C ATOM 23 CE2 TYR A 2 3.340 -8.562 1.914 1.00 0.00 C ATOM 24 CZ TYR A 2 3.662 -9.691 2.635 1.00 0.00 C ATOM 25 OH TYR A 2 2.792 -10.756 2.664 1.00 0.00 O ATOM 0 H TYR A 2 8.070 -4.631 2.076 1.00 0.00 H new ATOM 0 HA TYR A 2 8.281 -7.355 2.682 1.00 0.00 H new ATOM 0 HB2 TYR A 2 6.491 -5.967 3.529 1.00 0.00 H new ATOM 0 HB3 TYR A 2 5.941 -5.581 1.910 1.00 0.00 H new ATOM 0 HD1 TYR A 2 6.660 -8.746 3.834 1.00 0.00 H new ATOM 0 HD2 TYR A 2 3.961 -6.615 1.317 1.00 0.00 H new ATOM 0 HE1 TYR A 2 5.105 -10.647 3.888 1.00 0.00 H new ATOM 0 HE2 TYR A 2 2.405 -8.510 1.376 1.00 0.00 H new ATOM 0 HH TYR A 2 1.999 -10.545 2.129 1.00 0.00 H new ATOM 35 N GLN A 3 7.456 -6.722 -0.432 1.00 0.00 N ATOM 36 CA GLN A 3 7.404 -7.317 -1.756 1.00 0.00 C ATOM 37 C GLN A 3 8.333 -6.560 -2.695 1.00 0.00 C ATOM 38 O GLN A 3 7.871 -5.846 -3.588 1.00 0.00 O ATOM 39 CB GLN A 3 5.973 -7.309 -2.307 1.00 0.00 C ATOM 40 CG GLN A 3 4.941 -7.975 -1.404 1.00 0.00 C ATOM 41 CD GLN A 3 4.882 -9.491 -1.531 1.00 0.00 C ATOM 42 OE1 GLN A 3 3.822 -10.087 -1.337 1.00 0.00 O ATOM 43 NE2 GLN A 3 5.997 -10.128 -1.845 1.00 0.00 N ATOM 0 H GLN A 3 7.325 -5.711 -0.417 1.00 0.00 H new ATOM 0 HA GLN A 3 7.731 -8.354 -1.683 1.00 0.00 H new ATOM 0 HB2 GLN A 3 5.671 -6.276 -2.482 1.00 0.00 H new ATOM 0 HB3 GLN A 3 5.968 -7.811 -3.275 1.00 0.00 H new ATOM 0 HG2 GLN A 3 5.162 -7.717 -0.368 1.00 0.00 H new ATOM 0 HG3 GLN A 3 3.957 -7.565 -1.632 1.00 0.00 H new ATOM 0 HE21 GLN A 3 6.858 -9.603 -1.999 1.00 0.00 H new ATOM 0 HE22 GLN A 3 5.996 -11.144 -1.933 1.00 0.00 H new ATOM 52 N ARG A 4 9.637 -6.707 -2.437 1.00 0.00 N ATOM 53 CA ARG A 4 10.718 -6.099 -3.232 1.00 0.00 C ATOM 54 C ARG A 4 10.632 -4.571 -3.272 1.00 0.00 C ATOM 55 O ARG A 4 9.774 -3.953 -2.634 1.00 0.00 O ATOM 56 CB ARG A 4 10.752 -6.663 -4.669 1.00 0.00 C ATOM 57 CG ARG A 4 9.835 -5.951 -5.654 1.00 0.00 C ATOM 58 CD ARG A 4 9.992 -6.482 -7.067 1.00 0.00 C ATOM 59 NE ARG A 4 11.356 -6.314 -7.562 1.00 0.00 N ATOM 60 CZ ARG A 4 11.994 -7.214 -8.310 1.00 0.00 C ATOM 61 NH1 ARG A 4 11.392 -8.347 -8.658 1.00 0.00 N ATOM 62 NH2 ARG A 4 13.237 -6.979 -8.708 1.00 0.00 N ATOM 0 H ARG A 4 9.981 -7.263 -1.654 1.00 0.00 H new ATOM 0 HA ARG A 4 11.647 -6.365 -2.727 1.00 0.00 H new ATOM 0 HB2 ARG A 4 11.775 -6.609 -5.042 1.00 0.00 H new ATOM 0 HB3 ARG A 4 10.479 -7.718 -4.637 1.00 0.00 H new ATOM 0 HG2 ARG A 4 8.799 -6.070 -5.336 1.00 0.00 H new ATOM 0 HG3 ARG A 4 10.051 -4.883 -5.643 1.00 0.00 H new ATOM 0 HD2 ARG A 4 9.725 -7.538 -7.090 1.00 0.00 H new ATOM 0 HD3 ARG A 4 9.299 -5.963 -7.729 1.00 0.00 H new ATOM 0 HE ARG A 4 11.851 -5.455 -7.320 1.00 0.00 H new ATOM 0 HH11 ARG A 4 10.436 -8.532 -8.352 1.00 0.00 H new ATOM 0 HH12 ARG A 4 11.886 -9.032 -9.231 1.00 0.00 H new ATOM 0 HH21 ARG A 4 13.702 -6.111 -8.442 1.00 0.00 H new ATOM 0 HH22 ARG A 4 13.728 -7.666 -9.280 1.00 0.00 H new ATOM 76 N ILE A 5 11.564 -3.980 -4.007 1.00 0.00 N ATOM 77 CA ILE A 5 11.584 -2.553 -4.264 1.00 0.00 C ATOM 78 C ILE A 5 11.178 -2.325 -5.709 1.00 0.00 C ATOM 79 O ILE A 5 11.957 -2.566 -6.634 1.00 0.00 O ATOM 80 CB ILE A 5 12.984 -1.945 -4.005 1.00 0.00 C ATOM 81 CG1 ILE A 5 13.339 -2.048 -2.520 1.00 0.00 C ATOM 82 CG2 ILE A 5 13.040 -0.498 -4.472 1.00 0.00 C ATOM 83 CD1 ILE A 5 14.712 -1.509 -2.178 1.00 0.00 C ATOM 0 H ILE A 5 12.334 -4.486 -4.445 1.00 0.00 H new ATOM 0 HA ILE A 5 10.888 -2.060 -3.585 1.00 0.00 H new ATOM 0 HB ILE A 5 13.718 -2.512 -4.578 1.00 0.00 H new ATOM 0 HG12 ILE A 5 12.592 -1.506 -1.940 1.00 0.00 H new ATOM 0 HG13 ILE A 5 13.283 -3.093 -2.215 1.00 0.00 H new ATOM 0 HG21 ILE A 5 14.033 -0.092 -4.280 1.00 0.00 H new ATOM 0 HG22 ILE A 5 12.830 -0.452 -5.541 1.00 0.00 H new ATOM 0 HG23 ILE A 5 12.297 0.088 -3.931 1.00 0.00 H new ATOM 0 HD11 ILE A 5 14.889 -1.617 -1.108 1.00 0.00 H new ATOM 0 HD12 ILE A 5 15.469 -2.066 -2.730 1.00 0.00 H new ATOM 0 HD13 ILE A 5 14.767 -0.455 -2.450 1.00 0.00 H new ATOM 95 N ARG A 6 9.944 -1.904 -5.897 1.00 0.00 N ATOM 96 CA ARG A 6 9.361 -1.817 -7.214 1.00 0.00 C ATOM 97 C ARG A 6 9.772 -0.525 -7.913 1.00 0.00 C ATOM 98 O ARG A 6 10.542 -0.542 -8.872 1.00 0.00 O ATOM 99 CB ARG A 6 7.848 -1.888 -7.079 1.00 0.00 C ATOM 100 CG ARG A 6 7.370 -3.023 -6.189 1.00 0.00 C ATOM 101 CD ARG A 6 7.107 -4.277 -6.991 1.00 0.00 C ATOM 102 NE ARG A 6 6.687 -5.399 -6.154 1.00 0.00 N ATOM 103 CZ ARG A 6 5.833 -6.345 -6.559 1.00 0.00 C ATOM 104 NH1 ARG A 6 5.245 -6.256 -7.749 1.00 0.00 N ATOM 105 NH2 ARG A 6 5.556 -7.371 -5.769 1.00 0.00 N ATOM 0 H ARG A 6 9.322 -1.614 -5.143 1.00 0.00 H new ATOM 0 HA ARG A 6 9.721 -2.646 -7.823 1.00 0.00 H new ATOM 0 HB2 ARG A 6 7.483 -0.943 -6.677 1.00 0.00 H new ATOM 0 HB3 ARG A 6 7.408 -2.004 -8.070 1.00 0.00 H new ATOM 0 HG2 ARG A 6 8.119 -3.228 -5.424 1.00 0.00 H new ATOM 0 HG3 ARG A 6 6.459 -2.723 -5.671 1.00 0.00 H new ATOM 0 HD2 ARG A 6 6.336 -4.074 -7.734 1.00 0.00 H new ATOM 0 HD3 ARG A 6 8.010 -4.552 -7.536 1.00 0.00 H new ATOM 0 HE ARG A 6 7.066 -5.464 -5.209 1.00 0.00 H new ATOM 0 HH11 ARG A 6 5.445 -5.463 -8.358 1.00 0.00 H new ATOM 0 HH12 ARG A 6 4.595 -6.981 -8.052 1.00 0.00 H new ATOM 0 HH21 ARG A 6 5.994 -7.440 -4.851 1.00 0.00 H new ATOM 0 HH22 ARG A 6 4.904 -8.092 -6.079 1.00 0.00 H new ATOM 119 N SER A 7 9.271 0.592 -7.410 1.00 0.00 N ATOM 120 CA SER A 7 9.537 1.887 -8.014 1.00 0.00 C ATOM 121 C SER A 7 10.399 2.725 -7.077 1.00 0.00 C ATOM 122 O SER A 7 11.560 3.015 -7.370 1.00 0.00 O ATOM 123 CB SER A 7 8.212 2.596 -8.313 1.00 0.00 C ATOM 124 OG SER A 7 8.409 3.772 -9.077 1.00 0.00 O ATOM 0 H SER A 7 8.676 0.627 -6.582 1.00 0.00 H new ATOM 0 HA SER A 7 10.078 1.751 -8.951 1.00 0.00 H new ATOM 0 HB2 SER A 7 7.550 1.918 -8.852 1.00 0.00 H new ATOM 0 HB3 SER A 7 7.715 2.849 -7.376 1.00 0.00 H new ATOM 0 HG SER A 7 7.544 4.198 -9.251 1.00 0.00 H new ATOM 130 N ASP A 8 9.818 3.107 -5.952 1.00 0.00 N ATOM 131 CA ASP A 8 10.558 3.767 -4.888 1.00 0.00 C ATOM 132 C ASP A 8 11.041 2.707 -3.916 1.00 0.00 C ATOM 133 O ASP A 8 10.699 1.535 -4.075 1.00 0.00 O ATOM 134 CB ASP A 8 9.662 4.755 -4.140 1.00 0.00 C ATOM 135 CG ASP A 8 10.439 5.781 -3.339 1.00 0.00 C ATOM 136 OD1 ASP A 8 10.765 6.849 -3.893 1.00 0.00 O ATOM 137 OD2 ASP A 8 10.730 5.522 -2.151 1.00 0.00 O ATOM 0 H ASP A 8 8.828 2.970 -5.751 1.00 0.00 H new ATOM 0 HA ASP A 8 11.397 4.314 -5.318 1.00 0.00 H new ATOM 0 HB2 ASP A 8 9.024 5.271 -4.857 1.00 0.00 H new ATOM 0 HB3 ASP A 8 9.004 4.202 -3.469 1.00 0.00 H new ATOM 142 N HIS A 9 11.794 3.097 -2.903 1.00 0.00 N ATOM 143 CA HIS A 9 12.226 2.147 -1.897 1.00 0.00 C ATOM 144 C HIS A 9 11.020 1.630 -1.125 1.00 0.00 C ATOM 145 O HIS A 9 10.890 0.432 -0.872 1.00 0.00 O ATOM 146 CB HIS A 9 13.238 2.785 -0.936 1.00 0.00 C ATOM 147 CG HIS A 9 13.753 1.849 0.123 1.00 0.00 C ATOM 148 ND1 HIS A 9 15.045 1.373 0.144 1.00 0.00 N ATOM 149 CD2 HIS A 9 13.142 1.304 1.203 1.00 0.00 C ATOM 150 CE1 HIS A 9 15.201 0.576 1.184 1.00 0.00 C ATOM 151 NE2 HIS A 9 14.062 0.516 1.844 1.00 0.00 N ATOM 0 H HIS A 9 12.115 4.054 -2.757 1.00 0.00 H new ATOM 0 HA HIS A 9 12.717 1.313 -2.398 1.00 0.00 H new ATOM 0 HB2 HIS A 9 14.082 3.164 -1.513 1.00 0.00 H new ATOM 0 HB3 HIS A 9 12.772 3.643 -0.452 1.00 0.00 H new ATOM 0 HD2 HIS A 9 12.117 1.462 1.504 1.00 0.00 H new ATOM 0 HE1 HIS A 9 16.111 0.059 1.450 1.00 0.00 H new ATOM 0 HE2 HIS A 9 13.893 -0.027 2.691 1.00 0.00 H new ATOM 160 N ASP A 10 10.132 2.544 -0.771 1.00 0.00 N ATOM 161 CA ASP A 10 8.964 2.199 0.025 1.00 0.00 C ATOM 162 C ASP A 10 7.828 1.708 -0.855 1.00 0.00 C ATOM 163 O ASP A 10 6.920 1.039 -0.380 1.00 0.00 O ATOM 164 CB ASP A 10 8.488 3.401 0.845 1.00 0.00 C ATOM 165 CG ASP A 10 9.464 3.806 1.929 1.00 0.00 C ATOM 166 OD1 ASP A 10 9.234 3.455 3.104 1.00 0.00 O ATOM 167 OD2 ASP A 10 10.466 4.483 1.613 1.00 0.00 O ATOM 0 H ASP A 10 10.197 3.531 -1.022 1.00 0.00 H new ATOM 0 HA ASP A 10 9.258 1.397 0.703 1.00 0.00 H new ATOM 0 HB2 ASP A 10 8.325 4.247 0.177 1.00 0.00 H new ATOM 0 HB3 ASP A 10 7.526 3.164 1.300 1.00 0.00 H new ATOM 172 N SER A 11 7.886 2.027 -2.139 1.00 0.00 N ATOM 173 CA SER A 11 6.795 1.707 -3.050 1.00 0.00 C ATOM 174 C SER A 11 6.809 0.225 -3.410 1.00 0.00 C ATOM 175 O SER A 11 7.596 -0.222 -4.249 1.00 0.00 O ATOM 176 CB SER A 11 6.883 2.564 -4.314 1.00 0.00 C ATOM 177 OG SER A 11 5.657 2.579 -5.022 1.00 0.00 O ATOM 0 H SER A 11 8.674 2.506 -2.574 1.00 0.00 H new ATOM 0 HA SER A 11 5.854 1.928 -2.546 1.00 0.00 H new ATOM 0 HB2 SER A 11 7.160 3.583 -4.044 1.00 0.00 H new ATOM 0 HB3 SER A 11 7.672 2.180 -4.960 1.00 0.00 H new ATOM 0 HG SER A 11 5.748 3.136 -5.823 1.00 0.00 H new ATOM 183 N HIS A 12 5.944 -0.532 -2.750 1.00 0.00 N ATOM 184 CA HIS A 12 5.792 -1.954 -3.018 1.00 0.00 C ATOM 185 C HIS A 12 4.378 -2.387 -2.703 1.00 0.00 C ATOM 186 O HIS A 12 3.606 -1.630 -2.119 1.00 0.00 O ATOM 187 CB HIS A 12 6.770 -2.797 -2.187 1.00 0.00 C ATOM 188 CG HIS A 12 6.641 -2.638 -0.688 1.00 0.00 C ATOM 189 ND1 HIS A 12 5.776 -3.391 0.091 1.00 0.00 N ATOM 190 CD2 HIS A 12 7.296 -1.827 0.177 1.00 0.00 C ATOM 191 CE1 HIS A 12 5.916 -3.041 1.364 1.00 0.00 C ATOM 192 NE2 HIS A 12 6.830 -2.101 1.436 1.00 0.00 N ATOM 0 H HIS A 12 5.330 -0.179 -2.016 1.00 0.00 H new ATOM 0 HA HIS A 12 6.011 -2.114 -4.074 1.00 0.00 H new ATOM 0 HB2 HIS A 12 6.625 -3.847 -2.439 1.00 0.00 H new ATOM 0 HB3 HIS A 12 7.788 -2.537 -2.478 1.00 0.00 H new ATOM 0 HD1 HIS A 12 5.133 -4.102 -0.259 1.00 0.00 H new ATOM 0 HD2 HIS A 12 8.049 -1.097 -0.079 1.00 0.00 H new ATOM 0 HE1 HIS A 12 5.371 -3.458 2.198 1.00 0.00 H new ATOM 201 N SER A 13 4.049 -3.603 -3.082 1.00 0.00 N ATOM 202 CA SER A 13 2.762 -4.168 -2.755 1.00 0.00 C ATOM 203 C SER A 13 2.755 -4.676 -1.322 1.00 0.00 C ATOM 204 O SER A 13 3.799 -5.045 -0.769 1.00 0.00 O ATOM 205 CB SER A 13 2.425 -5.293 -3.729 1.00 0.00 C ATOM 206 OG SER A 13 3.560 -6.105 -3.969 1.00 0.00 O ATOM 0 H SER A 13 4.659 -4.220 -3.619 1.00 0.00 H new ATOM 0 HA SER A 13 2.002 -3.392 -2.843 1.00 0.00 H new ATOM 0 HB2 SER A 13 1.616 -5.901 -3.324 1.00 0.00 H new ATOM 0 HB3 SER A 13 2.068 -4.872 -4.669 1.00 0.00 H new ATOM 0 HG SER A 13 3.323 -6.821 -4.594 1.00 0.00 H new ATOM 212 N CYS A 14 1.591 -4.649 -0.719 1.00 0.00 N ATOM 213 CA CYS A 14 1.398 -5.175 0.612 1.00 0.00 C ATOM 214 C CYS A 14 0.077 -5.921 0.660 1.00 0.00 C ATOM 215 O CYS A 14 -0.664 -5.923 -0.325 1.00 0.00 O ATOM 216 CB CYS A 14 1.427 -4.046 1.641 1.00 0.00 C ATOM 217 SG CYS A 14 0.244 -2.703 1.313 1.00 0.00 S ATOM 0 H CYS A 14 0.747 -4.260 -1.139 1.00 0.00 H new ATOM 0 HA CYS A 14 2.207 -5.864 0.856 1.00 0.00 H new ATOM 0 HB2 CYS A 14 1.221 -4.463 2.627 1.00 0.00 H new ATOM 0 HB3 CYS A 14 2.433 -3.628 1.676 1.00 0.00 H new ATOM 222 N ALA A 15 -0.200 -6.568 1.783 1.00 0.00 N ATOM 223 CA ALA A 15 -1.423 -7.350 1.958 1.00 0.00 C ATOM 224 C ALA A 15 -1.649 -8.341 0.814 1.00 0.00 C ATOM 225 O ALA A 15 -2.787 -8.663 0.499 1.00 0.00 O ATOM 226 CB ALA A 15 -2.627 -6.427 2.091 1.00 0.00 C ATOM 0 H ALA A 15 0.413 -6.568 2.599 1.00 0.00 H new ATOM 0 HA ALA A 15 -1.303 -7.929 2.874 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -3.530 -7.023 2.221 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -2.494 -5.778 2.956 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -2.720 -5.819 1.191 1.00 0.00 H new ATOM 232 N ASN A 16 -0.563 -8.807 0.195 1.00 0.00 N ATOM 233 CA ASN A 16 -0.630 -9.754 -0.918 1.00 0.00 C ATOM 234 C ASN A 16 -1.351 -9.135 -2.106 1.00 0.00 C ATOM 235 O ASN A 16 -2.462 -9.544 -2.445 1.00 0.00 O ATOM 236 CB ASN A 16 -1.321 -11.060 -0.502 1.00 0.00 C ATOM 237 CG ASN A 16 -0.401 -11.997 0.257 1.00 0.00 C ATOM 238 OD1 ASN A 16 0.306 -12.810 -0.340 1.00 0.00 O ATOM 239 ND2 ASN A 16 -0.414 -11.901 1.577 1.00 0.00 N ATOM 0 H ASN A 16 0.387 -8.538 0.451 1.00 0.00 H new ATOM 0 HA ASN A 16 0.393 -9.991 -1.210 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -2.186 -10.826 0.119 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -1.695 -11.567 -1.392 1.00 0.00 H new ATOM 0 HD21 ASN A 16 0.176 -12.514 2.139 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -1.014 -11.214 2.032 1.00 0.00 H new ATOM 246 N ASN A 17 -0.713 -8.130 -2.719 1.00 0.00 N ATOM 247 CA ASN A 17 -1.294 -7.368 -3.839 1.00 0.00 C ATOM 248 C ASN A 17 -2.340 -6.374 -3.347 1.00 0.00 C ATOM 249 O ASN A 17 -2.491 -5.286 -3.907 1.00 0.00 O ATOM 250 CB ASN A 17 -1.938 -8.290 -4.893 1.00 0.00 C ATOM 251 CG ASN A 17 -3.268 -7.738 -5.390 1.00 0.00 C ATOM 252 OD1 ASN A 17 -3.338 -7.074 -6.426 1.00 0.00 O ATOM 253 ND2 ASN A 17 -4.323 -7.983 -4.620 1.00 0.00 N ATOM 0 H ASN A 17 0.222 -7.820 -2.454 1.00 0.00 H new ATOM 0 HA ASN A 17 -0.468 -6.829 -4.303 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -1.257 -8.411 -5.735 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -2.093 -9.280 -4.464 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -5.239 -7.616 -4.878 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -4.217 -8.538 -3.771 1.00 0.00 H new ATOM 260 N ARG A 18 -3.054 -6.754 -2.289 1.00 0.00 N ATOM 261 CA ARG A 18 -4.219 -6.028 -1.824 1.00 0.00 C ATOM 262 C ARG A 18 -3.830 -4.737 -1.129 1.00 0.00 C ATOM 263 O ARG A 18 -4.585 -4.223 -0.327 1.00 0.00 O ATOM 264 CB ARG A 18 -5.030 -6.919 -0.876 1.00 0.00 C ATOM 265 CG ARG A 18 -5.691 -8.105 -1.568 1.00 0.00 C ATOM 266 CD ARG A 18 -5.142 -9.439 -1.093 1.00 0.00 C ATOM 267 NE ARG A 18 -5.431 -9.689 0.316 1.00 0.00 N ATOM 268 CZ ARG A 18 -6.122 -10.738 0.767 1.00 0.00 C ATOM 269 NH1 ARG A 18 -6.624 -11.629 -0.081 1.00 0.00 N ATOM 270 NH2 ARG A 18 -6.310 -10.895 2.070 1.00 0.00 N ATOM 0 H ARG A 18 -2.834 -7.580 -1.732 1.00 0.00 H new ATOM 0 HA ARG A 18 -4.827 -5.764 -2.689 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -4.374 -7.289 -0.088 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -5.799 -6.316 -0.393 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -6.765 -8.074 -1.387 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -5.546 -8.019 -2.645 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -5.569 -10.240 -1.696 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -4.064 -9.462 -1.250 1.00 0.00 H new ATOM 0 HE ARG A 18 -5.082 -9.018 1.001 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -6.482 -11.514 -1.085 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -7.151 -12.428 0.272 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -5.927 -10.215 2.726 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -6.838 -11.696 2.416 1.00 0.00 H new ATOM 284 N GLY A 19 -2.661 -4.231 -1.465 1.00 0.00 N ATOM 285 CA GLY A 19 -2.137 -3.020 -0.879 1.00 0.00 C ATOM 286 C GLY A 19 -0.971 -2.495 -1.693 1.00 0.00 C ATOM 287 O GLY A 19 -0.190 -3.286 -2.219 1.00 0.00 O ATOM 0 H GLY A 19 -2.045 -4.654 -2.159 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -2.922 -2.265 -0.828 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -1.815 -3.214 0.144 1.00 0.00 H new ATOM 291 N TRP A 20 -0.863 -1.183 -1.841 1.00 0.00 N ATOM 292 CA TRP A 20 0.322 -0.601 -2.459 1.00 0.00 C ATOM 293 C TRP A 20 0.823 0.564 -1.635 1.00 0.00 C ATOM 294 O TRP A 20 0.065 1.465 -1.286 1.00 0.00 O ATOM 295 CB TRP A 20 0.090 -0.108 -3.888 1.00 0.00 C ATOM 296 CG TRP A 20 1.397 0.128 -4.583 1.00 0.00 C ATOM 297 CD1 TRP A 20 2.057 1.312 -4.688 1.00 0.00 C ATOM 298 CD2 TRP A 20 2.234 -0.848 -5.218 1.00 0.00 C ATOM 299 NE1 TRP A 20 3.238 1.146 -5.345 1.00 0.00 N ATOM 300 CE2 TRP A 20 3.375 -0.171 -5.684 1.00 0.00 C ATOM 301 CE3 TRP A 20 2.133 -2.223 -5.442 1.00 0.00 C ATOM 302 CZ2 TRP A 20 4.404 -0.820 -6.351 1.00 0.00 C ATOM 303 CZ3 TRP A 20 3.161 -2.865 -6.107 1.00 0.00 C ATOM 304 CH2 TRP A 20 4.282 -2.163 -6.552 1.00 0.00 C ATOM 0 H TRP A 20 -1.569 -0.509 -1.547 1.00 0.00 H new ATOM 0 HA TRP A 20 1.057 -1.405 -2.499 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -0.495 -0.843 -4.441 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -0.491 0.814 -3.871 1.00 0.00 H new ATOM 0 HD1 TRP A 20 1.695 2.254 -4.303 1.00 0.00 H new ATOM 0 HE1 TRP A 20 3.911 1.884 -5.551 1.00 0.00 H new ATOM 0 HE3 TRP A 20 1.268 -2.774 -5.102 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 5.272 -0.280 -6.699 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 3.095 -3.928 -6.285 1.00 0.00 H new ATOM 0 HH2 TRP A 20 5.069 -2.694 -7.066 1.00 0.00 H new ATOM 315 N CYS A 21 2.103 0.550 -1.351 1.00 0.00 N ATOM 316 CA CYS A 21 2.727 1.618 -0.606 1.00 0.00 C ATOM 317 C CYS A 21 2.895 2.847 -1.478 1.00 0.00 C ATOM 318 O CYS A 21 3.758 2.890 -2.357 1.00 0.00 O ATOM 319 CB CYS A 21 4.069 1.153 -0.087 1.00 0.00 C ATOM 320 SG CYS A 21 3.979 -0.454 0.770 1.00 0.00 S ATOM 0 H CYS A 21 2.739 -0.198 -1.628 1.00 0.00 H new ATOM 0 HA CYS A 21 2.089 1.885 0.237 1.00 0.00 H new ATOM 0 HB2 CYS A 21 4.768 1.077 -0.920 1.00 0.00 H new ATOM 0 HB3 CYS A 21 4.468 1.902 0.597 1.00 0.00 H new ATOM 325 N ARG A 22 2.057 3.832 -1.239 1.00 0.00 N ATOM 326 CA ARG A 22 2.096 5.072 -1.987 1.00 0.00 C ATOM 327 C ARG A 22 2.201 6.237 -1.014 1.00 0.00 C ATOM 328 O ARG A 22 1.844 6.104 0.154 1.00 0.00 O ATOM 329 CB ARG A 22 0.822 5.213 -2.823 1.00 0.00 C ATOM 330 CG ARG A 22 0.562 4.063 -3.765 1.00 0.00 C ATOM 331 CD ARG A 22 -0.761 4.235 -4.482 1.00 0.00 C ATOM 332 NE ARG A 22 -1.214 3.019 -5.134 1.00 0.00 N ATOM 333 CZ ARG A 22 -0.740 2.561 -6.291 1.00 0.00 C ATOM 334 NH1 ARG A 22 0.223 3.212 -6.930 1.00 0.00 N ATOM 335 NH2 ARG A 22 -1.242 1.452 -6.814 1.00 0.00 N ATOM 0 H ARG A 22 1.331 3.797 -0.523 1.00 0.00 H new ATOM 0 HA ARG A 22 2.959 5.070 -2.653 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -0.030 5.315 -2.150 1.00 0.00 H new ATOM 0 HB3 ARG A 22 0.883 6.134 -3.402 1.00 0.00 H new ATOM 0 HG2 ARG A 22 1.369 3.997 -4.495 1.00 0.00 H new ATOM 0 HG3 ARG A 22 0.558 3.126 -3.208 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -1.516 4.560 -3.767 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -0.665 5.026 -5.226 1.00 0.00 H new ATOM 0 HE ARG A 22 -1.946 2.478 -4.674 1.00 0.00 H new ATOM 0 HH11 ARG A 22 0.607 4.071 -6.536 1.00 0.00 H new ATOM 0 HH12 ARG A 22 0.580 2.854 -7.816 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -1.989 0.953 -6.331 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -0.882 1.098 -7.700 1.00 0.00 H new ATOM 349 N PRO A 23 2.731 7.379 -1.467 1.00 0.00 N ATOM 350 CA PRO A 23 2.741 8.603 -0.672 1.00 0.00 C ATOM 351 C PRO A 23 1.384 9.298 -0.709 1.00 0.00 C ATOM 352 O PRO A 23 1.118 10.225 0.054 1.00 0.00 O ATOM 353 CB PRO A 23 3.802 9.469 -1.341 1.00 0.00 C ATOM 354 CG PRO A 23 3.935 8.958 -2.737 1.00 0.00 C ATOM 355 CD PRO A 23 3.388 7.554 -2.772 1.00 0.00 C ATOM 0 HA PRO A 23 2.950 8.410 0.380 1.00 0.00 H new ATOM 0 HB2 PRO A 23 3.508 10.518 -1.337 1.00 0.00 H new ATOM 0 HB3 PRO A 23 4.751 9.402 -0.810 1.00 0.00 H new ATOM 0 HG2 PRO A 23 3.389 9.597 -3.431 1.00 0.00 H new ATOM 0 HG3 PRO A 23 4.979 8.968 -3.049 1.00 0.00 H new ATOM 0 HD2 PRO A 23 2.682 7.424 -3.592 1.00 0.00 H new ATOM 0 HD3 PRO A 23 4.183 6.822 -2.917 1.00 0.00 H new ATOM 363 N THR A 24 0.541 8.836 -1.620 1.00 0.00 N ATOM 364 CA THR A 24 -0.808 9.343 -1.772 1.00 0.00 C ATOM 365 C THR A 24 -1.684 8.276 -2.429 1.00 0.00 C ATOM 366 O THR A 24 -1.257 7.600 -3.368 1.00 0.00 O ATOM 367 CB THR A 24 -0.827 10.648 -2.602 1.00 0.00 C ATOM 368 OG1 THR A 24 -2.175 11.084 -2.825 1.00 0.00 O ATOM 369 CG2 THR A 24 -0.119 10.459 -3.935 1.00 0.00 C ATOM 0 H THR A 24 0.779 8.093 -2.278 1.00 0.00 H new ATOM 0 HA THR A 24 -1.204 9.577 -0.784 1.00 0.00 H new ATOM 0 HB THR A 24 -0.296 11.411 -2.033 1.00 0.00 H new ATOM 0 HG1 THR A 24 -2.169 11.912 -3.350 1.00 0.00 H new ATOM 0 HG21 THR A 24 -0.148 11.392 -4.498 1.00 0.00 H new ATOM 0 HG22 THR A 24 0.918 10.173 -3.759 1.00 0.00 H new ATOM 0 HG23 THR A 24 -0.619 9.676 -4.505 1.00 0.00 H new ATOM 377 N CYS A 25 -2.890 8.105 -1.913 1.00 0.00 N ATOM 378 CA CYS A 25 -3.787 7.061 -2.388 1.00 0.00 C ATOM 379 C CYS A 25 -4.603 7.523 -3.586 1.00 0.00 C ATOM 380 O CYS A 25 -5.042 8.674 -3.655 1.00 0.00 O ATOM 381 CB CYS A 25 -4.704 6.620 -1.250 1.00 0.00 C ATOM 382 SG CYS A 25 -3.798 5.874 0.148 1.00 0.00 S ATOM 0 H CYS A 25 -3.273 8.678 -1.161 1.00 0.00 H new ATOM 0 HA CYS A 25 -3.184 6.214 -2.717 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -5.269 7.481 -0.892 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -5.428 5.900 -1.632 1.00 0.00 H new ATOM 387 N PHE A 26 -4.791 6.611 -4.531 1.00 0.00 N ATOM 388 CA PHE A 26 -5.506 6.902 -5.765 1.00 0.00 C ATOM 389 C PHE A 26 -7.011 6.945 -5.526 1.00 0.00 C ATOM 390 O PHE A 26 -7.495 6.537 -4.467 1.00 0.00 O ATOM 391 CB PHE A 26 -5.170 5.844 -6.819 1.00 0.00 C ATOM 392 CG PHE A 26 -3.779 5.958 -7.388 1.00 0.00 C ATOM 393 CD1 PHE A 26 -2.712 6.356 -6.597 1.00 0.00 C ATOM 394 CD2 PHE A 26 -3.541 5.659 -8.717 1.00 0.00 C ATOM 395 CE1 PHE A 26 -1.440 6.455 -7.122 1.00 0.00 C ATOM 396 CE2 PHE A 26 -2.270 5.756 -9.249 1.00 0.00 C ATOM 397 CZ PHE A 26 -1.218 6.153 -8.449 1.00 0.00 C ATOM 0 H PHE A 26 -4.453 5.651 -4.463 1.00 0.00 H new ATOM 0 HA PHE A 26 -5.192 7.882 -6.124 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -5.289 4.855 -6.376 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -5.891 5.917 -7.633 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -2.879 6.592 -5.556 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -4.360 5.345 -9.347 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -0.619 6.769 -6.494 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -2.100 5.522 -10.289 1.00 0.00 H new ATOM 0 HZ PHE A 26 -0.223 6.227 -8.861 1.00 0.00 H new ATOM 407 N SER A 27 -7.747 7.422 -6.527 1.00 0.00 N ATOM 408 CA SER A 27 -9.194 7.606 -6.423 1.00 0.00 C ATOM 409 C SER A 27 -9.941 6.270 -6.557 1.00 0.00 C ATOM 410 O SER A 27 -11.029 6.196 -7.134 1.00 0.00 O ATOM 411 CB SER A 27 -9.661 8.600 -7.495 1.00 0.00 C ATOM 412 OG SER A 27 -11.033 8.931 -7.346 1.00 0.00 O ATOM 0 H SER A 27 -7.359 7.691 -7.431 1.00 0.00 H new ATOM 0 HA SER A 27 -9.423 8.007 -5.436 1.00 0.00 H new ATOM 0 HB2 SER A 27 -9.060 9.507 -7.436 1.00 0.00 H new ATOM 0 HB3 SER A 27 -9.496 8.172 -8.484 1.00 0.00 H new ATOM 0 HG SER A 27 -11.557 8.111 -7.233 1.00 0.00 H new ATOM 418 N HIS A 28 -9.345 5.217 -6.018 1.00 0.00 N ATOM 419 CA HIS A 28 -9.951 3.891 -6.018 1.00 0.00 C ATOM 420 C HIS A 28 -9.239 3.000 -5.012 1.00 0.00 C ATOM 421 O HIS A 28 -9.218 1.775 -5.146 1.00 0.00 O ATOM 422 CB HIS A 28 -9.918 3.260 -7.423 1.00 0.00 C ATOM 423 CG HIS A 28 -8.547 3.090 -8.017 1.00 0.00 C ATOM 424 ND1 HIS A 28 -7.999 1.857 -8.301 1.00 0.00 N ATOM 425 CD2 HIS A 28 -7.630 4.004 -8.421 1.00 0.00 C ATOM 426 CE1 HIS A 28 -6.813 2.020 -8.852 1.00 0.00 C ATOM 427 NE2 HIS A 28 -6.564 3.310 -8.938 1.00 0.00 N ATOM 0 H HIS A 28 -8.430 5.256 -5.569 1.00 0.00 H new ATOM 0 HA HIS A 28 -10.997 3.990 -5.728 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -10.400 2.283 -7.377 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -10.514 3.878 -8.095 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -7.721 5.078 -8.349 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -6.155 1.228 -9.178 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -5.717 3.726 -9.326 1.00 0.00 H new ATOM 436 N GLU A 29 -8.657 3.636 -4.001 1.00 0.00 N ATOM 437 CA GLU A 29 -7.870 2.939 -2.996 1.00 0.00 C ATOM 438 C GLU A 29 -8.070 3.590 -1.634 1.00 0.00 C ATOM 439 O GLU A 29 -8.596 4.700 -1.543 1.00 0.00 O ATOM 440 CB GLU A 29 -6.383 2.977 -3.356 1.00 0.00 C ATOM 441 CG GLU A 29 -6.067 2.484 -4.759 1.00 0.00 C ATOM 442 CD GLU A 29 -4.609 2.652 -5.118 1.00 0.00 C ATOM 443 OE1 GLU A 29 -4.060 1.772 -5.819 1.00 0.00 O ATOM 444 OE2 GLU A 29 -4.007 3.660 -4.702 1.00 0.00 O ATOM 0 H GLU A 29 -8.718 4.644 -3.857 1.00 0.00 H new ATOM 0 HA GLU A 29 -8.203 1.902 -2.961 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -6.022 4.000 -3.253 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -5.831 2.371 -2.637 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -6.339 1.432 -4.840 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -6.680 3.028 -5.478 1.00 0.00 H new ATOM 451 N TYR A 30 -7.633 2.911 -0.586 1.00 0.00 N ATOM 452 CA TYR A 30 -7.756 3.423 0.771 1.00 0.00 C ATOM 453 C TYR A 30 -6.486 3.138 1.566 1.00 0.00 C ATOM 454 O TYR A 30 -5.753 2.203 1.257 1.00 0.00 O ATOM 455 CB TYR A 30 -8.967 2.792 1.464 1.00 0.00 C ATOM 456 CG TYR A 30 -8.849 1.300 1.704 1.00 0.00 C ATOM 457 CD1 TYR A 30 -9.274 0.375 0.752 1.00 0.00 C ATOM 458 CD2 TYR A 30 -8.331 0.816 2.900 1.00 0.00 C ATOM 459 CE1 TYR A 30 -9.190 -0.984 0.993 1.00 0.00 C ATOM 460 CE2 TYR A 30 -8.236 -0.534 3.144 1.00 0.00 C ATOM 461 CZ TYR A 30 -8.670 -1.430 2.192 1.00 0.00 C ATOM 462 OH TYR A 30 -8.586 -2.778 2.446 1.00 0.00 O ATOM 0 H TYR A 30 -7.186 1.996 -0.649 1.00 0.00 H new ATOM 0 HA TYR A 30 -7.899 4.502 0.724 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -9.122 3.290 2.421 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -9.854 2.981 0.860 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -9.675 0.725 -0.188 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -7.996 1.514 3.653 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -9.528 -1.691 0.250 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -7.824 -0.890 4.077 1.00 0.00 H new ATOM 0 HH TYR A 30 -8.975 -2.970 3.325 1.00 0.00 H new ATOM 472 N THR A 31 -6.231 3.943 2.586 1.00 0.00 N ATOM 473 CA THR A 31 -5.043 3.779 3.408 1.00 0.00 C ATOM 474 C THR A 31 -5.262 2.746 4.496 1.00 0.00 C ATOM 475 O THR A 31 -6.005 2.978 5.449 1.00 0.00 O ATOM 476 CB THR A 31 -4.635 5.110 4.071 1.00 0.00 C ATOM 477 OG1 THR A 31 -4.514 6.137 3.078 1.00 0.00 O ATOM 478 CG2 THR A 31 -3.319 4.960 4.818 1.00 0.00 C ATOM 0 H THR A 31 -6.833 4.718 2.864 1.00 0.00 H new ATOM 0 HA THR A 31 -4.247 3.443 2.743 1.00 0.00 H new ATOM 0 HB THR A 31 -5.410 5.388 4.785 1.00 0.00 H new ATOM 0 HG1 THR A 31 -4.426 5.727 2.192 1.00 0.00 H new ATOM 0 HG21 THR A 31 -3.051 5.911 5.278 1.00 0.00 H new ATOM 0 HG22 THR A 31 -3.425 4.200 5.592 1.00 0.00 H new ATOM 0 HG23 THR A 31 -2.537 4.661 4.120 1.00 0.00 H new ATOM 486 N ASP A 32 -4.624 1.602 4.341 1.00 0.00 N ATOM 487 CA ASP A 32 -4.611 0.614 5.396 1.00 0.00 C ATOM 488 C ASP A 32 -3.419 0.874 6.286 1.00 0.00 C ATOM 489 O ASP A 32 -2.272 0.820 5.829 1.00 0.00 O ATOM 490 CB ASP A 32 -4.503 -0.794 4.853 1.00 0.00 C ATOM 491 CG ASP A 32 -5.060 -1.815 5.833 1.00 0.00 C ATOM 492 OD1 ASP A 32 -4.590 -1.856 6.987 1.00 0.00 O ATOM 493 OD2 ASP A 32 -5.986 -2.570 5.462 1.00 0.00 O ATOM 0 H ASP A 32 -4.112 1.337 3.500 1.00 0.00 H new ATOM 0 HA ASP A 32 -5.549 0.697 5.946 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -5.043 -0.863 3.909 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -3.459 -1.024 4.641 1.00 0.00 H new ATOM 498 N TRP A 33 -3.687 1.143 7.548 1.00 0.00 N ATOM 499 CA TRP A 33 -2.648 1.523 8.475 1.00 0.00 C ATOM 500 C TRP A 33 -1.890 0.304 9.000 1.00 0.00 C ATOM 501 O TRP A 33 -0.837 0.431 9.636 1.00 0.00 O ATOM 502 CB TRP A 33 -3.260 2.360 9.590 1.00 0.00 C ATOM 503 CG TRP A 33 -3.590 3.732 9.093 1.00 0.00 C ATOM 504 CD1 TRP A 33 -4.801 4.206 8.677 1.00 0.00 C ATOM 505 CD2 TRP A 33 -2.656 4.786 8.897 1.00 0.00 C ATOM 506 NE1 TRP A 33 -4.674 5.507 8.254 1.00 0.00 N ATOM 507 CE2 TRP A 33 -3.362 5.885 8.379 1.00 0.00 C ATOM 508 CE3 TRP A 33 -1.287 4.905 9.120 1.00 0.00 C ATOM 509 CZ2 TRP A 33 -2.737 7.092 8.077 1.00 0.00 C ATOM 510 CZ3 TRP A 33 -0.666 6.095 8.819 1.00 0.00 C ATOM 511 CH2 TRP A 33 -1.389 7.179 8.301 1.00 0.00 C ATOM 0 H TRP A 33 -4.622 1.104 7.954 1.00 0.00 H new ATOM 0 HA TRP A 33 -1.904 2.131 7.960 1.00 0.00 H new ATOM 0 HB2 TRP A 33 -4.162 1.875 9.964 1.00 0.00 H new ATOM 0 HB3 TRP A 33 -2.564 2.427 10.426 1.00 0.00 H new ATOM 0 HD1 TRP A 33 -5.722 3.642 8.680 1.00 0.00 H new ATOM 0 HE1 TRP A 33 -5.431 6.095 7.905 1.00 0.00 H new ATOM 0 HE3 TRP A 33 -0.722 4.077 9.522 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 -3.294 7.928 7.681 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 0.396 6.196 8.984 1.00 0.00 H new ATOM 0 HH2 TRP A 33 -0.873 8.100 8.074 1.00 0.00 H new ATOM 522 N PHE A 34 -2.406 -0.879 8.696 1.00 0.00 N ATOM 523 CA PHE A 34 -1.750 -2.124 9.071 1.00 0.00 C ATOM 524 C PHE A 34 -0.534 -2.358 8.185 1.00 0.00 C ATOM 525 O PHE A 34 0.616 -2.424 8.645 1.00 0.00 O ATOM 526 CB PHE A 34 -2.726 -3.293 8.920 1.00 0.00 C ATOM 527 CG PHE A 34 -2.240 -4.573 9.535 1.00 0.00 C ATOM 528 CD1 PHE A 34 -2.069 -4.674 10.906 1.00 0.00 C ATOM 529 CD2 PHE A 34 -1.964 -5.675 8.745 1.00 0.00 C ATOM 530 CE1 PHE A 34 -1.628 -5.851 11.477 1.00 0.00 C ATOM 531 CE2 PHE A 34 -1.522 -6.854 9.310 1.00 0.00 C ATOM 532 CZ PHE A 34 -1.354 -6.943 10.678 1.00 0.00 C ATOM 0 H PHE A 34 -3.282 -1.003 8.188 1.00 0.00 H new ATOM 0 HA PHE A 34 -1.429 -2.055 10.110 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -3.678 -3.020 9.376 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -2.917 -3.460 7.860 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -2.283 -3.823 11.535 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -2.096 -5.612 7.675 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -1.498 -5.917 12.547 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -1.308 -7.707 8.683 1.00 0.00 H new ATOM 0 HZ PHE A 34 -1.009 -7.865 11.122 1.00 0.00 H new ATOM 542 N ASN A 35 -0.786 -2.462 6.895 1.00 0.00 N ATOM 543 CA ASN A 35 0.281 -2.678 5.948 1.00 0.00 C ATOM 544 C ASN A 35 1.007 -1.366 5.682 1.00 0.00 C ATOM 545 O ASN A 35 2.021 -1.332 5.001 1.00 0.00 O ATOM 546 CB ASN A 35 -0.243 -3.311 4.660 1.00 0.00 C ATOM 547 CG ASN A 35 -1.673 -3.800 4.769 1.00 0.00 C ATOM 548 OD1 ASN A 35 -2.615 -3.077 4.478 1.00 0.00 O ATOM 549 ND2 ASN A 35 -1.837 -5.032 5.196 1.00 0.00 N ATOM 0 H ASN A 35 -1.717 -2.400 6.483 1.00 0.00 H new ATOM 0 HA ASN A 35 0.996 -3.382 6.374 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -0.177 -2.582 3.852 1.00 0.00 H new ATOM 0 HB3 ASN A 35 0.400 -4.148 4.388 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -2.776 -5.417 5.295 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -1.025 -5.603 5.429 1.00 0.00 H new ATOM 556 N ASN A 36 0.483 -0.283 6.239 1.00 0.00 N ATOM 557 CA ASN A 36 1.223 0.973 6.315 1.00 0.00 C ATOM 558 C ASN A 36 2.536 0.727 7.035 1.00 0.00 C ATOM 559 O ASN A 36 3.588 1.232 6.646 1.00 0.00 O ATOM 560 CB ASN A 36 0.426 2.004 7.099 1.00 0.00 C ATOM 561 CG ASN A 36 -0.058 3.166 6.262 1.00 0.00 C ATOM 562 OD1 ASN A 36 -0.945 3.027 5.432 1.00 0.00 O ATOM 563 ND2 ASN A 36 0.488 4.339 6.514 1.00 0.00 N ATOM 0 H ASN A 36 -0.452 -0.247 6.646 1.00 0.00 H new ATOM 0 HA ASN A 36 1.401 1.344 5.306 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -0.434 1.514 7.556 1.00 0.00 H new ATOM 0 HB3 ASN A 36 1.044 2.386 7.912 1.00 0.00 H new ATOM 0 HD21 ASN A 36 0.172 5.167 6.010 1.00 0.00 H new ATOM 0 HD22 ASN A 36 1.226 4.418 7.213 1.00 0.00 H new ATOM 570 N ASP A 37 2.444 -0.066 8.101 1.00 0.00 N ATOM 571 CA ASP A 37 3.607 -0.465 8.881 1.00 0.00 C ATOM 572 C ASP A 37 4.638 -1.183 8.015 1.00 0.00 C ATOM 573 O ASP A 37 5.835 -0.912 8.117 1.00 0.00 O ATOM 574 CB ASP A 37 3.180 -1.360 10.044 1.00 0.00 C ATOM 575 CG ASP A 37 4.353 -2.023 10.736 1.00 0.00 C ATOM 576 OD1 ASP A 37 4.476 -3.264 10.637 1.00 0.00 O ATOM 577 OD2 ASP A 37 5.158 -1.313 11.371 1.00 0.00 O ATOM 0 H ASP A 37 1.563 -0.447 8.445 1.00 0.00 H new ATOM 0 HA ASP A 37 4.072 0.438 9.276 1.00 0.00 H new ATOM 0 HB2 ASP A 37 2.625 -0.765 10.769 1.00 0.00 H new ATOM 0 HB3 ASP A 37 2.500 -2.128 9.675 1.00 0.00 H new ATOM 582 N VAL A 38 4.181 -2.094 7.153 1.00 0.00 N ATOM 583 CA VAL A 38 5.118 -2.787 6.256 1.00 0.00 C ATOM 584 C VAL A 38 5.681 -1.814 5.227 1.00 0.00 C ATOM 585 O VAL A 38 6.849 -1.885 4.859 1.00 0.00 O ATOM 586 CB VAL A 38 4.506 -4.020 5.532 1.00 0.00 C ATOM 587 CG1 VAL A 38 3.771 -4.909 6.520 1.00 0.00 C ATOM 588 CG2 VAL A 38 3.598 -3.621 4.373 1.00 0.00 C ATOM 0 H VAL A 38 3.203 -2.365 7.055 1.00 0.00 H new ATOM 0 HA VAL A 38 5.914 -3.169 6.895 1.00 0.00 H new ATOM 0 HB VAL A 38 5.333 -4.586 5.102 1.00 0.00 H new ATOM 0 HG11 VAL A 38 3.350 -5.766 5.995 1.00 0.00 H new ATOM 0 HG12 VAL A 38 4.467 -5.257 7.283 1.00 0.00 H new ATOM 0 HG13 VAL A 38 2.968 -4.342 6.992 1.00 0.00 H new ATOM 0 HG21 VAL A 38 3.196 -4.517 3.901 1.00 0.00 H new ATOM 0 HG22 VAL A 38 2.777 -3.009 4.748 1.00 0.00 H new ATOM 0 HG23 VAL A 38 4.171 -3.051 3.641 1.00 0.00 H new ATOM 598 N CYS A 39 4.842 -0.902 4.777 1.00 0.00 N ATOM 599 CA CYS A 39 5.240 0.121 3.829 1.00 0.00 C ATOM 600 C CYS A 39 6.388 0.970 4.362 1.00 0.00 C ATOM 601 O CYS A 39 7.295 1.333 3.614 1.00 0.00 O ATOM 602 CB CYS A 39 4.044 1.006 3.492 1.00 0.00 C ATOM 603 SG CYS A 39 2.756 0.142 2.534 1.00 0.00 S ATOM 0 H CYS A 39 3.863 -0.849 5.059 1.00 0.00 H new ATOM 0 HA CYS A 39 5.592 -0.377 2.926 1.00 0.00 H new ATOM 0 HB2 CYS A 39 3.608 1.383 4.417 1.00 0.00 H new ATOM 0 HB3 CYS A 39 4.389 1.871 2.926 1.00 0.00 H new ATOM 608 N GLY A 40 6.350 1.276 5.650 1.00 0.00 N ATOM 609 CA GLY A 40 7.401 2.076 6.244 1.00 0.00 C ATOM 610 C GLY A 40 7.068 3.547 6.246 1.00 0.00 C ATOM 611 O GLY A 40 6.325 4.022 7.107 1.00 0.00 O ATOM 0 H GLY A 40 5.613 0.986 6.293 1.00 0.00 H new ATOM 0 HA2 GLY A 40 7.574 1.743 7.268 1.00 0.00 H new ATOM 0 HA3 GLY A 40 8.330 1.917 5.696 1.00 0.00 H new ATOM 615 N SER A 41 7.604 4.261 5.270 1.00 0.00 N ATOM 616 CA SER A 41 7.421 5.698 5.178 1.00 0.00 C ATOM 617 C SER A 41 6.220 6.025 4.293 1.00 0.00 C ATOM 618 O SER A 41 5.731 7.158 4.264 1.00 0.00 O ATOM 619 CB SER A 41 8.703 6.326 4.630 1.00 0.00 C ATOM 620 OG SER A 41 8.628 7.741 4.596 1.00 0.00 O ATOM 0 H SER A 41 8.175 3.863 4.524 1.00 0.00 H new ATOM 0 HA SER A 41 7.220 6.111 6.167 1.00 0.00 H new ATOM 0 HB2 SER A 41 9.548 6.022 5.248 1.00 0.00 H new ATOM 0 HB3 SER A 41 8.891 5.949 3.625 1.00 0.00 H new ATOM 0 HG SER A 41 9.466 8.105 4.242 1.00 0.00 H new ATOM 626 N TYR A 42 5.749 5.019 3.576 1.00 0.00 N ATOM 627 CA TYR A 42 4.562 5.155 2.746 1.00 0.00 C ATOM 628 C TYR A 42 3.348 4.590 3.454 1.00 0.00 C ATOM 629 O TYR A 42 3.435 4.099 4.580 1.00 0.00 O ATOM 630 CB TYR A 42 4.749 4.438 1.411 1.00 0.00 C ATOM 631 CG TYR A 42 5.458 5.245 0.346 1.00 0.00 C ATOM 632 CD1 TYR A 42 5.813 6.576 0.544 1.00 0.00 C ATOM 633 CD2 TYR A 42 5.755 4.668 -0.876 1.00 0.00 C ATOM 634 CE1 TYR A 42 6.447 7.296 -0.445 1.00 0.00 C ATOM 635 CE2 TYR A 42 6.388 5.378 -1.867 1.00 0.00 C ATOM 636 CZ TYR A 42 6.733 6.693 -1.650 1.00 0.00 C ATOM 637 OH TYR A 42 7.365 7.406 -2.642 1.00 0.00 O ATOM 0 H TYR A 42 6.174 4.092 3.552 1.00 0.00 H new ATOM 0 HA TYR A 42 4.407 6.218 2.560 1.00 0.00 H new ATOM 0 HB2 TYR A 42 5.311 3.520 1.584 1.00 0.00 H new ATOM 0 HB3 TYR A 42 3.770 4.146 1.032 1.00 0.00 H new ATOM 0 HD1 TYR A 42 5.588 7.052 1.487 1.00 0.00 H new ATOM 0 HD2 TYR A 42 5.484 3.638 -1.054 1.00 0.00 H new ATOM 0 HE1 TYR A 42 6.718 8.328 -0.276 1.00 0.00 H new ATOM 0 HE2 TYR A 42 6.614 4.907 -2.812 1.00 0.00 H new ATOM 0 HH TYR A 42 7.493 6.832 -3.426 1.00 0.00 H new ATOM 647 N ARG A 43 2.219 4.664 2.779 1.00 0.00 N ATOM 648 CA ARG A 43 0.964 4.197 3.324 1.00 0.00 C ATOM 649 C ARG A 43 0.362 3.153 2.392 1.00 0.00 C ATOM 650 O ARG A 43 0.509 3.258 1.171 1.00 0.00 O ATOM 651 CB ARG A 43 0.029 5.394 3.517 1.00 0.00 C ATOM 652 CG ARG A 43 -0.286 6.149 2.236 1.00 0.00 C ATOM 653 CD ARG A 43 -0.653 7.593 2.518 1.00 0.00 C ATOM 654 NE ARG A 43 0.429 8.318 3.183 1.00 0.00 N ATOM 655 CZ ARG A 43 0.241 9.180 4.183 1.00 0.00 C ATOM 656 NH1 ARG A 43 -0.989 9.453 4.608 1.00 0.00 N ATOM 657 NH2 ARG A 43 1.282 9.777 4.753 1.00 0.00 N ATOM 0 H ARG A 43 2.147 5.050 1.837 1.00 0.00 H new ATOM 0 HA ARG A 43 1.119 3.725 4.294 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -0.904 5.045 3.959 1.00 0.00 H new ATOM 0 HB3 ARG A 43 0.481 6.083 4.230 1.00 0.00 H new ATOM 0 HG2 ARG A 43 0.577 6.115 1.571 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -1.109 5.658 1.716 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -0.901 8.093 1.582 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -1.546 7.624 3.142 1.00 0.00 H new ATOM 0 HE ARG A 43 1.384 8.155 2.863 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -1.792 9.003 4.169 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -1.130 10.113 5.373 1.00 0.00 H new ATOM 0 HH21 ARG A 43 2.227 9.576 4.426 1.00 0.00 H new ATOM 0 HH22 ARG A 43 1.136 10.436 5.518 1.00 0.00 H new ATOM 671 N CYS A 44 -0.300 2.139 2.950 1.00 0.00 N ATOM 672 CA CYS A 44 -0.794 1.047 2.132 1.00 0.00 C ATOM 673 C CYS A 44 -2.099 1.433 1.474 1.00 0.00 C ATOM 674 O CYS A 44 -3.176 1.268 2.046 1.00 0.00 O ATOM 675 CB CYS A 44 -0.969 -0.240 2.936 1.00 0.00 C ATOM 676 SG CYS A 44 -1.561 -1.649 1.951 1.00 0.00 S ATOM 0 H CYS A 44 -0.501 2.057 3.947 1.00 0.00 H new ATOM 0 HA CYS A 44 -0.046 0.853 1.363 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -0.015 -0.504 3.393 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -1.672 -0.056 3.749 1.00 0.00 H new ATOM 681 N CYS A 45 -1.986 1.973 0.280 1.00 0.00 N ATOM 682 CA CYS A 45 -3.138 2.321 -0.514 1.00 0.00 C ATOM 683 C CYS A 45 -3.719 1.071 -1.149 1.00 0.00 C ATOM 684 O CYS A 45 -3.413 0.725 -2.293 1.00 0.00 O ATOM 685 CB CYS A 45 -2.745 3.350 -1.564 1.00 0.00 C ATOM 686 SG CYS A 45 -2.060 4.874 -0.834 1.00 0.00 S ATOM 0 H CYS A 45 -1.092 2.182 -0.165 1.00 0.00 H new ATOM 0 HA CYS A 45 -3.906 2.764 0.121 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -2.009 2.912 -2.238 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -3.619 3.601 -2.166 1.00 0.00 H new ATOM 691 N ARG A 46 -4.522 0.378 -0.365 1.00 0.00 N ATOM 692 CA ARG A 46 -5.184 -0.832 -0.801 1.00 0.00 C ATOM 693 C ARG A 46 -6.270 -0.498 -1.792 1.00 0.00 C ATOM 694 O ARG A 46 -7.033 0.439 -1.577 1.00 0.00 O ATOM 695 CB ARG A 46 -5.808 -1.552 0.393 1.00 0.00 C ATOM 696 CG ARG A 46 -4.805 -1.964 1.454 1.00 0.00 C ATOM 697 CD ARG A 46 -5.439 -2.840 2.522 1.00 0.00 C ATOM 698 NE ARG A 46 -5.779 -4.170 2.038 1.00 0.00 N ATOM 699 CZ ARG A 46 -6.377 -5.092 2.790 1.00 0.00 C ATOM 700 NH1 ARG A 46 -6.651 -4.833 4.063 1.00 0.00 N ATOM 701 NH2 ARG A 46 -6.681 -6.277 2.279 1.00 0.00 N ATOM 0 H ARG A 46 -4.733 0.642 0.597 1.00 0.00 H new ATOM 0 HA ARG A 46 -4.443 -1.479 -1.271 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -6.556 -0.902 0.847 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -6.331 -2.440 0.037 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -3.981 -2.502 0.985 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -4.381 -1.074 1.919 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -4.753 -2.930 3.364 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -6.340 -2.354 2.895 1.00 0.00 H new ATOM 0 HE ARG A 46 -5.547 -4.408 1.074 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -6.403 -3.928 4.464 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -7.109 -5.539 4.640 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -6.457 -6.486 1.306 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -7.139 -6.980 2.859 1.00 0.00 H new ATOM 715 N PRO A 47 -6.348 -1.244 -2.897 1.00 0.00 N ATOM 716 CA PRO A 47 -7.447 -1.105 -3.840 1.00 0.00 C ATOM 717 C PRO A 47 -8.769 -1.225 -3.106 1.00 0.00 C ATOM 718 O PRO A 47 -8.945 -2.137 -2.303 1.00 0.00 O ATOM 719 CB PRO A 47 -7.257 -2.286 -4.795 1.00 0.00 C ATOM 720 CG PRO A 47 -5.810 -2.624 -4.706 1.00 0.00 C ATOM 721 CD PRO A 47 -5.384 -2.279 -3.307 1.00 0.00 C ATOM 0 HA PRO A 47 -7.455 -0.145 -4.356 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -7.879 -3.133 -4.504 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -7.538 -2.019 -5.814 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -5.644 -3.681 -4.914 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -5.233 -2.060 -5.439 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -5.425 -3.148 -2.650 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -4.360 -1.906 -3.280 1.00 0.00 H new ATOM 729 N GLY A 48 -9.692 -0.311 -3.366 1.00 0.00 N ATOM 730 CA GLY A 48 -10.971 -0.332 -2.671 1.00 0.00 C ATOM 731 C GLY A 48 -11.788 -1.580 -2.965 1.00 0.00 C ATOM 732 O GLY A 48 -12.905 -1.735 -2.475 1.00 0.00 O ATOM 0 H GLY A 48 -9.583 0.444 -4.043 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -10.796 -0.264 -1.597 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -11.547 0.548 -2.956 1.00 0.00 H new ATOM 736 N ARG A 49 -11.222 -2.466 -3.766 1.00 0.00 N ATOM 737 CA ARG A 49 -11.842 -3.736 -4.092 1.00 0.00 C ATOM 738 C ARG A 49 -10.814 -4.866 -4.048 1.00 0.00 C ATOM 739 O ARG A 49 -10.946 -5.854 -4.766 1.00 0.00 O ATOM 740 CB ARG A 49 -12.528 -3.675 -5.468 1.00 0.00 C ATOM 741 CG ARG A 49 -11.882 -2.724 -6.482 1.00 0.00 C ATOM 742 CD ARG A 49 -10.437 -3.083 -6.805 1.00 0.00 C ATOM 743 NE ARG A 49 -10.290 -4.474 -7.226 1.00 0.00 N ATOM 744 CZ ARG A 49 -9.185 -4.978 -7.766 1.00 0.00 C ATOM 745 NH1 ARG A 49 -8.136 -4.198 -8.001 1.00 0.00 N ATOM 746 NH2 ARG A 49 -9.133 -6.267 -8.073 1.00 0.00 N ATOM 0 H ARG A 49 -10.315 -2.323 -4.210 1.00 0.00 H new ATOM 0 HA ARG A 49 -12.607 -3.942 -3.343 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -12.541 -4.678 -5.894 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -13.566 -3.376 -5.325 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -12.466 -2.733 -7.402 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -11.918 -1.707 -6.091 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -10.070 -2.427 -7.594 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -9.816 -2.904 -5.927 1.00 0.00 H new ATOM 0 HE ARG A 49 -11.086 -5.098 -7.097 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -8.175 -3.206 -7.767 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -7.291 -4.591 -8.416 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -9.939 -6.867 -7.895 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -8.287 -6.659 -8.488 1.00 0.00 H new HETATM 760 N AAR A 50 -9.783 -4.692 -3.213 1.00 0.00 N HETATM 761 CA AAR A 50 -8.731 -5.688 -3.034 1.00 0.00 C HETATM 762 CB AAR A 50 -7.831 -5.340 -1.834 1.00 0.00 C HETATM 763 CG AAR A 50 -8.481 -4.530 -0.714 1.00 0.00 C HETATM 764 CD AAR A 50 -9.567 -5.293 0.022 1.00 0.00 C HETATM 765 NE AAR A 50 -10.123 -4.506 1.119 1.00 0.00 N HETATM 766 CZ AAR A 50 -11.397 -4.564 1.507 1.00 0.00 C HETATM 767 NH1 AAR A 50 -11.823 -3.797 2.502 1.00 0.00 N HETATM 768 NH2 AAR A 50 -12.244 -5.390 0.903 1.00 0.00 N HETATM 769 C AAR A 50 -9.280 -7.112 -2.899 1.00 0.00 C HETATM 770 O AAR A 50 -9.948 -7.451 -1.923 1.00 0.00 O HETATM 771 NT AAR A 50 -9.007 -7.939 -3.895 1.00 0.00 N HETATM 0 HH22 AAR A 50 -13.218 -5.431 1.203 1.00 0.00 H new HETATM 0 HH21 AAR A 50 -11.920 -5.983 0.139 1.00 0.00 H new HETATM 0 HH12 AAR A 50 -12.798 -3.841 2.799 1.00 0.00 H new HETATM 0 HH11 AAR A 50 -11.176 -3.163 2.970 1.00 0.00 H new HETATM 0 HG3 AAR A 50 -7.714 -4.225 -0.002 1.00 0.00 H new HETATM 0 HG2 AAR A 50 -8.907 -3.618 -1.133 1.00 0.00 H new HETATM 0 HE AAR A 50 -9.498 -3.873 1.619 1.00 0.00 H new HETATM 0 HD3 AAR A 50 -10.361 -5.560 -0.675 1.00 0.00 H new HETATM 0 HD2 AAR A 50 -9.158 -6.225 0.412 1.00 0.00 H new HETATM 0 HB3 AAR A 50 -7.453 -6.270 -1.409 1.00 0.00 H new HETATM 0 HB2 AAR A 50 -6.969 -4.784 -2.203 1.00 0.00 H new HETATM 0 HA AAR A 50 -8.128 -5.662 -3.942 1.00 0.00 H new HETATM 0 H2 AAR A 50 -9.618 -8.108 -4.694 1.00 0.00 H new HETATM 0 H AAR A 50 -8.512 -8.716 -3.458 1.00 0.00 H new HETATM 0 H AAR A 50 -9.844 -3.895 -2.579 1.00 0.00 H new TER 787 AAR A 50