USER MOD reduce.3.24.130724 H: found=0, std=0, add=541, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 535 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+ -109:sc= 0.076 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 180:sc= -0.264 USER MOD Single : A 8 CYS SG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 9:sc= 0.0798 USER MOD Single : A 12 SER OG : rot 180:sc= 0.502 USER MOD Single : A 19 CYS SG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0.00292 USER MOD Single : A 22 CYS SG : rot -155:sc= 0.401 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 98:sc= 1.26 USER MOD Single : A 29 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 32 THR OG1 : rot 160:sc= -0.391 USER MOD Single : A 33 THR OG1 : rot 140:sc= -0.101 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -0.264 X(o=-0.26,f=-0.25) USER MOD Single : A 39 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0.0436 USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 170:sc= -0.0123 (180deg=-0.127) USER MOD Single : A 53 GLN : amide:sc= -0.396 X(o=-0.4,f=-0.39) USER MOD Single : A 56 HIS : no HE2:sc= -0.157 K(o=-0.16,f=-1.6) USER MOD Single : A 60 LYS NZ :NH3+ 166:sc= -0.0273 (180deg=-0.227) USER MOD Single : A 65 HIS : no HD1:sc= 0 X(o=0,f=-0.094) USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 HIS : no HE2:sc= 0.301 K(o=0.3,f=-1.4) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 27.828 -3.264 -2.183 1.00 0.00 N ATOM 2 CA GLY A 1 26.964 -2.928 -1.051 1.00 0.00 C ATOM 3 C GLY A 1 25.786 -2.081 -1.506 1.00 0.00 C ATOM 4 O GLY A 1 25.892 -1.375 -2.512 1.00 0.00 O ATOM 0 H1 GLY A 1 27.731 -4.275 -2.406 1.00 0.00 H new ATOM 0 H2 GLY A 1 27.551 -2.699 -3.011 1.00 0.00 H new ATOM 0 H3 GLY A 1 28.817 -3.057 -1.938 1.00 0.00 H new ATOM 0 HA2 GLY A 1 26.601 -3.842 -0.581 1.00 0.00 H new ATOM 0 HA3 GLY A 1 27.537 -2.388 -0.298 1.00 0.00 H new ATOM 8 N PRO A 2 24.639 -2.151 -0.807 1.00 0.00 N ATOM 9 CA PRO A 2 23.457 -1.361 -1.143 1.00 0.00 C ATOM 10 C PRO A 2 23.753 0.127 -0.922 1.00 0.00 C ATOM 11 O PRO A 2 24.790 0.475 -0.350 1.00 0.00 O ATOM 12 CB PRO A 2 22.341 -1.873 -0.230 1.00 0.00 C ATOM 13 CG PRO A 2 23.088 -2.461 0.969 1.00 0.00 C ATOM 14 CD PRO A 2 24.413 -2.949 0.385 1.00 0.00 C ATOM 0 HA PRO A 2 23.163 -1.463 -2.188 1.00 0.00 H new ATOM 0 HB2 PRO A 2 21.671 -1.068 0.072 1.00 0.00 H new ATOM 0 HB3 PRO A 2 21.730 -2.626 -0.729 1.00 0.00 H new ATOM 0 HG2 PRO A 2 23.247 -1.712 1.745 1.00 0.00 H new ATOM 0 HG3 PRO A 2 22.529 -3.278 1.424 1.00 0.00 H new ATOM 0 HD2 PRO A 2 25.226 -2.822 1.100 1.00 0.00 H new ATOM 0 HD3 PRO A 2 24.366 -4.010 0.142 1.00 0.00 H new ATOM 22 N LEU A 3 22.870 1.020 -1.379 1.00 0.00 N ATOM 23 CA LEU A 3 23.070 2.456 -1.225 1.00 0.00 C ATOM 24 C LEU A 3 21.781 3.117 -0.750 1.00 0.00 C ATOM 25 O LEU A 3 21.077 3.806 -1.498 1.00 0.00 O ATOM 26 CB LEU A 3 23.669 3.037 -2.518 1.00 0.00 C ATOM 27 CG LEU A 3 24.132 4.497 -2.391 1.00 0.00 C ATOM 28 CD1 LEU A 3 25.209 4.660 -1.312 1.00 0.00 C ATOM 29 CD2 LEU A 3 24.692 4.959 -3.740 1.00 0.00 C ATOM 0 H LEU A 3 22.007 0.767 -1.860 1.00 0.00 H new ATOM 0 HA LEU A 3 23.800 2.670 -0.445 1.00 0.00 H new ATOM 0 HB2 LEU A 3 24.517 2.423 -2.822 1.00 0.00 H new ATOM 0 HB3 LEU A 3 22.926 2.970 -3.313 1.00 0.00 H new ATOM 0 HG LEU A 3 23.274 5.104 -2.101 1.00 0.00 H new ATOM 0 HD11 LEU A 3 25.510 5.706 -1.253 1.00 0.00 H new ATOM 0 HD12 LEU A 3 24.810 4.342 -0.349 1.00 0.00 H new ATOM 0 HD13 LEU A 3 26.074 4.047 -1.566 1.00 0.00 H new ATOM 0 HD21 LEU A 3 25.024 5.994 -3.661 1.00 0.00 H new ATOM 0 HD22 LEU A 3 25.536 4.328 -4.019 1.00 0.00 H new ATOM 0 HD23 LEU A 3 23.916 4.884 -4.501 1.00 0.00 H new ATOM 41 N GLY A 4 21.488 2.933 0.532 1.00 0.00 N ATOM 42 CA GLY A 4 20.319 3.457 1.208 1.00 0.00 C ATOM 43 C GLY A 4 19.183 2.474 1.000 1.00 0.00 C ATOM 44 O GLY A 4 18.833 1.736 1.925 1.00 0.00 O ATOM 0 H GLY A 4 22.089 2.390 1.152 1.00 0.00 H new ATOM 0 HA2 GLY A 4 20.520 3.589 2.271 1.00 0.00 H new ATOM 0 HA3 GLY A 4 20.054 4.436 0.809 1.00 0.00 H new ATOM 48 N SER A 5 18.594 2.501 -0.194 1.00 0.00 N ATOM 49 CA SER A 5 17.505 1.623 -0.588 1.00 0.00 C ATOM 50 C SER A 5 18.069 0.226 -0.889 1.00 0.00 C ATOM 51 O SER A 5 19.286 0.044 -1.003 1.00 0.00 O ATOM 52 CB SER A 5 16.813 2.211 -1.825 1.00 0.00 C ATOM 53 OG SER A 5 16.427 3.560 -1.601 1.00 0.00 O ATOM 0 H SER A 5 18.871 3.152 -0.929 1.00 0.00 H new ATOM 0 HA SER A 5 16.773 1.537 0.215 1.00 0.00 H new ATOM 0 HB2 SER A 5 17.486 2.159 -2.681 1.00 0.00 H new ATOM 0 HB3 SER A 5 15.935 1.614 -2.073 1.00 0.00 H new ATOM 0 HG SER A 5 15.990 3.913 -2.404 1.00 0.00 H new ATOM 59 N THR A 6 17.205 -0.784 -0.968 1.00 0.00 N ATOM 60 CA THR A 6 17.588 -2.163 -1.268 1.00 0.00 C ATOM 61 C THR A 6 16.395 -2.923 -1.861 1.00 0.00 C ATOM 62 O THR A 6 16.579 -3.718 -2.776 1.00 0.00 O ATOM 63 CB THR A 6 18.133 -2.872 -0.012 1.00 0.00 C ATOM 64 OG1 THR A 6 19.085 -2.075 0.673 1.00 0.00 O ATOM 65 CG2 THR A 6 18.831 -4.182 -0.376 1.00 0.00 C ATOM 0 H THR A 6 16.202 -0.666 -0.823 1.00 0.00 H new ATOM 0 HA THR A 6 18.389 -2.149 -2.007 1.00 0.00 H new ATOM 0 HB THR A 6 17.268 -3.056 0.625 1.00 0.00 H new ATOM 0 HG1 THR A 6 19.406 -2.557 1.464 1.00 0.00 H new ATOM 0 HG21 THR A 6 19.205 -4.659 0.530 1.00 0.00 H new ATOM 0 HG22 THR A 6 18.122 -4.847 -0.870 1.00 0.00 H new ATOM 0 HG23 THR A 6 19.664 -3.976 -1.048 1.00 0.00 H new ATOM 73 N ASP A 7 15.175 -2.669 -1.388 1.00 0.00 N ATOM 74 CA ASP A 7 13.938 -3.293 -1.854 1.00 0.00 C ATOM 75 C ASP A 7 12.856 -2.274 -1.514 1.00 0.00 C ATOM 76 O ASP A 7 12.751 -1.890 -0.340 1.00 0.00 O ATOM 77 CB ASP A 7 13.665 -4.613 -1.115 1.00 0.00 C ATOM 78 CG ASP A 7 14.477 -5.798 -1.635 1.00 0.00 C ATOM 79 OD1 ASP A 7 15.217 -6.425 -0.832 1.00 0.00 O ATOM 80 OD2 ASP A 7 14.282 -6.201 -2.800 1.00 0.00 O ATOM 0 H ASP A 7 15.016 -1.995 -0.639 1.00 0.00 H new ATOM 0 HA ASP A 7 13.981 -3.538 -2.915 1.00 0.00 H new ATOM 0 HB2 ASP A 7 13.881 -4.475 -0.056 1.00 0.00 H new ATOM 0 HB3 ASP A 7 12.604 -4.850 -1.196 1.00 0.00 H new ATOM 85 N CYS A 8 12.064 -1.802 -2.477 1.00 0.00 N ATOM 86 CA CYS A 8 11.023 -0.802 -2.235 1.00 0.00 C ATOM 87 C CYS A 8 9.638 -1.288 -2.652 1.00 0.00 C ATOM 88 O CYS A 8 9.258 -1.129 -3.810 1.00 0.00 O ATOM 89 CB CYS A 8 11.386 0.511 -2.943 1.00 0.00 C ATOM 90 SG CYS A 8 12.969 1.163 -2.332 1.00 0.00 S ATOM 0 H CYS A 8 12.126 -2.103 -3.450 1.00 0.00 H new ATOM 0 HA CYS A 8 10.975 -0.627 -1.160 1.00 0.00 H new ATOM 0 HB2 CYS A 8 11.448 0.344 -4.018 1.00 0.00 H new ATOM 0 HB3 CYS A 8 10.598 1.246 -2.780 1.00 0.00 H new ATOM 0 HG CYS A 8 13.250 2.271 -2.951 1.00 0.00 H new ATOM 96 N SER A 9 8.883 -1.861 -1.716 1.00 0.00 N ATOM 97 CA SER A 9 7.534 -2.358 -1.928 1.00 0.00 C ATOM 98 C SER A 9 6.712 -2.066 -0.670 1.00 0.00 C ATOM 99 O SER A 9 7.229 -1.586 0.344 1.00 0.00 O ATOM 100 CB SER A 9 7.565 -3.846 -2.304 1.00 0.00 C ATOM 101 OG SER A 9 8.001 -3.995 -3.637 1.00 0.00 O ATOM 0 H SER A 9 9.209 -1.994 -0.759 1.00 0.00 H new ATOM 0 HA SER A 9 7.056 -1.851 -2.767 1.00 0.00 H new ATOM 0 HB2 SER A 9 8.231 -4.386 -1.632 1.00 0.00 H new ATOM 0 HB3 SER A 9 6.572 -4.281 -2.186 1.00 0.00 H new ATOM 0 HG SER A 9 8.319 -3.132 -3.975 1.00 0.00 H new ATOM 107 N ILE A 10 5.408 -2.343 -0.734 1.00 0.00 N ATOM 108 CA ILE A 10 4.471 -2.113 0.361 1.00 0.00 C ATOM 109 C ILE A 10 4.886 -2.937 1.583 1.00 0.00 C ATOM 110 O ILE A 10 4.574 -2.541 2.703 1.00 0.00 O ATOM 111 CB ILE A 10 3.004 -2.390 -0.056 1.00 0.00 C ATOM 112 CG1 ILE A 10 2.580 -1.750 -1.374 1.00 0.00 C ATOM 113 CG2 ILE A 10 2.061 -1.910 1.045 1.00 0.00 C ATOM 114 CD1 ILE A 10 1.237 -2.311 -1.873 1.00 0.00 C ATOM 0 H ILE A 10 4.969 -2.740 -1.564 1.00 0.00 H new ATOM 0 HA ILE A 10 4.511 -1.057 0.628 1.00 0.00 H new ATOM 0 HB ILE A 10 2.944 -3.468 -0.205 1.00 0.00 H new ATOM 0 HG12 ILE A 10 2.498 -0.671 -1.245 1.00 0.00 H new ATOM 0 HG13 ILE A 10 3.349 -1.923 -2.127 1.00 0.00 H new ATOM 0 HG21 ILE A 10 1.030 -2.105 0.751 1.00 0.00 H new ATOM 0 HG22 ILE A 10 2.282 -2.442 1.970 1.00 0.00 H new ATOM 0 HG23 ILE A 10 2.198 -0.840 1.200 1.00 0.00 H new ATOM 0 HD11 ILE A 10 0.969 -1.830 -2.814 1.00 0.00 H new ATOM 0 HD12 ILE A 10 1.327 -3.386 -2.027 1.00 0.00 H new ATOM 0 HD13 ILE A 10 0.463 -2.114 -1.132 1.00 0.00 H new ATOM 126 N VAL A 11 5.639 -4.019 1.410 1.00 0.00 N ATOM 127 CA VAL A 11 6.107 -4.873 2.505 1.00 0.00 C ATOM 128 C VAL A 11 6.726 -4.026 3.635 1.00 0.00 C ATOM 129 O VAL A 11 6.279 -4.092 4.779 1.00 0.00 O ATOM 130 CB VAL A 11 7.064 -5.976 1.989 1.00 0.00 C ATOM 131 CG1 VAL A 11 6.342 -6.955 1.051 1.00 0.00 C ATOM 132 CG2 VAL A 11 8.308 -5.447 1.259 1.00 0.00 C ATOM 0 H VAL A 11 5.948 -4.335 0.491 1.00 0.00 H new ATOM 0 HA VAL A 11 5.247 -5.389 2.932 1.00 0.00 H new ATOM 0 HB VAL A 11 7.399 -6.481 2.895 1.00 0.00 H new ATOM 0 HG11 VAL A 11 7.044 -7.715 0.708 1.00 0.00 H new ATOM 0 HG12 VAL A 11 5.522 -7.433 1.586 1.00 0.00 H new ATOM 0 HG13 VAL A 11 5.947 -6.412 0.192 1.00 0.00 H new ATOM 0 HG21 VAL A 11 8.922 -6.286 0.932 1.00 0.00 H new ATOM 0 HG22 VAL A 11 8.000 -4.863 0.392 1.00 0.00 H new ATOM 0 HG23 VAL A 11 8.886 -4.816 1.935 1.00 0.00 H new ATOM 142 N SER A 12 7.683 -3.151 3.294 1.00 0.00 N ATOM 143 CA SER A 12 8.369 -2.288 4.260 1.00 0.00 C ATOM 144 C SER A 12 7.406 -1.277 4.893 1.00 0.00 C ATOM 145 O SER A 12 7.532 -0.885 6.061 1.00 0.00 O ATOM 146 CB SER A 12 9.518 -1.587 3.523 1.00 0.00 C ATOM 147 OG SER A 12 10.390 -0.892 4.394 1.00 0.00 O ATOM 0 H SER A 12 8.003 -3.023 2.334 1.00 0.00 H new ATOM 0 HA SER A 12 8.762 -2.885 5.083 1.00 0.00 H new ATOM 0 HB2 SER A 12 10.088 -2.328 2.962 1.00 0.00 H new ATOM 0 HB3 SER A 12 9.104 -0.887 2.798 1.00 0.00 H new ATOM 0 HG SER A 12 11.102 -0.467 3.873 1.00 0.00 H new ATOM 153 N PHE A 13 6.441 -0.812 4.103 1.00 0.00 N ATOM 154 CA PHE A 13 5.441 0.141 4.535 1.00 0.00 C ATOM 155 C PHE A 13 4.477 -0.506 5.543 1.00 0.00 C ATOM 156 O PHE A 13 4.064 0.081 6.546 1.00 0.00 O ATOM 157 CB PHE A 13 4.744 0.663 3.282 1.00 0.00 C ATOM 158 CG PHE A 13 3.932 1.891 3.571 1.00 0.00 C ATOM 159 CD1 PHE A 13 2.537 1.857 3.451 1.00 0.00 C ATOM 160 CD2 PHE A 13 4.580 3.061 3.995 1.00 0.00 C ATOM 161 CE1 PHE A 13 1.788 3.009 3.728 1.00 0.00 C ATOM 162 CE2 PHE A 13 3.831 4.218 4.250 1.00 0.00 C ATOM 163 CZ PHE A 13 2.432 4.194 4.127 1.00 0.00 C ATOM 0 H PHE A 13 6.337 -1.097 3.129 1.00 0.00 H new ATOM 0 HA PHE A 13 5.889 0.982 5.064 1.00 0.00 H new ATOM 0 HB2 PHE A 13 5.489 0.890 2.519 1.00 0.00 H new ATOM 0 HB3 PHE A 13 4.097 -0.114 2.875 1.00 0.00 H new ATOM 0 HD1 PHE A 13 2.041 0.947 3.146 1.00 0.00 H new ATOM 0 HD2 PHE A 13 5.652 3.070 4.124 1.00 0.00 H new ATOM 0 HE1 PHE A 13 0.712 2.987 3.635 1.00 0.00 H new ATOM 0 HE2 PHE A 13 4.331 5.130 4.542 1.00 0.00 H new ATOM 0 HZ PHE A 13 1.854 5.081 4.338 1.00 0.00 H new ATOM 173 N PHE A 14 4.130 -1.763 5.314 1.00 0.00 N ATOM 174 CA PHE A 14 3.245 -2.499 6.192 1.00 0.00 C ATOM 175 C PHE A 14 3.991 -2.834 7.466 1.00 0.00 C ATOM 176 O PHE A 14 3.405 -2.686 8.539 1.00 0.00 O ATOM 177 CB PHE A 14 2.668 -3.698 5.450 1.00 0.00 C ATOM 178 CG PHE A 14 1.417 -3.333 4.672 1.00 0.00 C ATOM 179 CD1 PHE A 14 0.428 -4.306 4.457 1.00 0.00 C ATOM 180 CD2 PHE A 14 1.209 -2.024 4.185 1.00 0.00 C ATOM 181 CE1 PHE A 14 -0.732 -3.986 3.740 1.00 0.00 C ATOM 182 CE2 PHE A 14 0.053 -1.698 3.475 1.00 0.00 C ATOM 183 CZ PHE A 14 -0.919 -2.680 3.258 1.00 0.00 C ATOM 0 H PHE A 14 4.457 -2.300 4.511 1.00 0.00 H new ATOM 0 HA PHE A 14 2.382 -1.904 6.492 1.00 0.00 H new ATOM 0 HB2 PHE A 14 3.417 -4.097 4.766 1.00 0.00 H new ATOM 0 HB3 PHE A 14 2.434 -4.488 6.163 1.00 0.00 H new ATOM 0 HD1 PHE A 14 0.562 -5.305 4.846 1.00 0.00 H new ATOM 0 HD2 PHE A 14 1.955 -1.264 4.365 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -1.481 -4.742 3.558 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -0.090 -0.697 3.096 1.00 0.00 H new ATOM 0 HZ PHE A 14 -1.820 -2.432 2.716 1.00 0.00 H new ATOM 193 N ALA A 15 5.276 -3.180 7.354 1.00 0.00 N ATOM 194 CA ALA A 15 6.121 -3.493 8.485 1.00 0.00 C ATOM 195 C ALA A 15 6.101 -2.302 9.452 1.00 0.00 C ATOM 196 O ALA A 15 5.805 -2.492 10.634 1.00 0.00 O ATOM 197 CB ALA A 15 7.528 -3.845 7.992 1.00 0.00 C ATOM 0 H ALA A 15 5.756 -3.249 6.457 1.00 0.00 H new ATOM 0 HA ALA A 15 5.754 -4.365 9.026 1.00 0.00 H new ATOM 0 HB1 ALA A 15 8.164 -4.081 8.845 1.00 0.00 H new ATOM 0 HB2 ALA A 15 7.476 -4.708 7.329 1.00 0.00 H new ATOM 0 HB3 ALA A 15 7.947 -2.997 7.451 1.00 0.00 H new ATOM 203 N ARG A 16 6.334 -1.065 8.972 1.00 0.00 N ATOM 204 CA ARG A 16 6.317 0.105 9.854 1.00 0.00 C ATOM 205 C ARG A 16 4.962 0.363 10.491 1.00 0.00 C ATOM 206 O ARG A 16 4.859 0.453 11.714 1.00 0.00 O ATOM 207 CB ARG A 16 6.824 1.338 9.115 1.00 0.00 C ATOM 208 CG ARG A 16 6.160 1.743 7.804 1.00 0.00 C ATOM 209 CD ARG A 16 6.977 2.757 7.005 1.00 0.00 C ATOM 210 NE ARG A 16 8.068 2.073 6.283 1.00 0.00 N ATOM 211 CZ ARG A 16 8.913 2.633 5.414 1.00 0.00 C ATOM 212 NH1 ARG A 16 8.783 3.913 5.080 1.00 0.00 N ATOM 213 NH2 ARG A 16 9.878 1.902 4.871 1.00 0.00 N ATOM 0 H ARG A 16 6.533 -0.857 7.993 1.00 0.00 H new ATOM 0 HA ARG A 16 6.994 -0.118 10.679 1.00 0.00 H new ATOM 0 HB2 ARG A 16 6.747 2.185 9.797 1.00 0.00 H new ATOM 0 HB3 ARG A 16 7.884 1.187 8.913 1.00 0.00 H new ATOM 0 HG2 ARG A 16 6.001 0.853 7.195 1.00 0.00 H new ATOM 0 HG3 ARG A 16 5.177 2.164 8.017 1.00 0.00 H new ATOM 0 HD2 ARG A 16 6.333 3.278 6.297 1.00 0.00 H new ATOM 0 HD3 ARG A 16 7.390 3.511 7.675 1.00 0.00 H new ATOM 0 HE ARG A 16 8.188 1.077 6.466 1.00 0.00 H new ATOM 0 HH11 ARG A 16 8.035 4.473 5.488 1.00 0.00 H new ATOM 0 HH12 ARG A 16 9.432 4.335 4.416 1.00 0.00 H new ATOM 0 HH21 ARG A 16 9.972 0.917 5.118 1.00 0.00 H new ATOM 0 HH22 ARG A 16 10.526 2.325 4.207 1.00 0.00 H new ATOM 227 N LEU A 17 3.921 0.338 9.669 1.00 0.00 N ATOM 228 CA LEU A 17 2.544 0.581 10.140 1.00 0.00 C ATOM 229 C LEU A 17 2.089 -0.457 11.167 1.00 0.00 C ATOM 230 O LEU A 17 1.320 -0.128 12.076 1.00 0.00 O ATOM 231 CB LEU A 17 1.523 0.487 8.991 1.00 0.00 C ATOM 232 CG LEU A 17 1.614 1.637 7.990 1.00 0.00 C ATOM 233 CD1 LEU A 17 0.920 1.241 6.697 1.00 0.00 C ATOM 234 CD2 LEU A 17 0.938 2.938 8.456 1.00 0.00 C ATOM 0 H LEU A 17 3.994 0.152 8.669 1.00 0.00 H new ATOM 0 HA LEU A 17 2.574 1.580 10.575 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.670 -0.455 8.463 1.00 0.00 H new ATOM 0 HB3 LEU A 17 0.518 0.463 9.412 1.00 0.00 H new ATOM 0 HG LEU A 17 2.681 1.824 7.870 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.985 2.062 5.983 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.404 0.358 6.280 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.128 1.019 6.900 1.00 0.00 H new ATOM 0 HD21 LEU A 17 1.050 3.702 7.686 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.122 2.754 8.634 1.00 0.00 H new ATOM 0 HD23 LEU A 17 1.406 3.281 9.378 1.00 0.00 H new ATOM 246 N GLY A 18 2.552 -1.699 11.053 1.00 0.00 N ATOM 247 CA GLY A 18 2.204 -2.806 11.923 1.00 0.00 C ATOM 248 C GLY A 18 1.293 -3.779 11.185 1.00 0.00 C ATOM 249 O GLY A 18 0.755 -4.699 11.809 1.00 0.00 O ATOM 0 H GLY A 18 3.207 -1.967 10.319 1.00 0.00 H new ATOM 0 HA2 GLY A 18 3.108 -3.319 12.252 1.00 0.00 H new ATOM 0 HA3 GLY A 18 1.705 -2.434 12.818 1.00 0.00 H new ATOM 253 N CYS A 19 1.030 -3.546 9.891 1.00 0.00 N ATOM 254 CA CYS A 19 0.195 -4.452 9.119 1.00 0.00 C ATOM 255 C CYS A 19 0.959 -5.784 8.993 1.00 0.00 C ATOM 256 O CYS A 19 2.099 -5.762 8.540 1.00 0.00 O ATOM 257 CB CYS A 19 -0.111 -3.838 7.754 1.00 0.00 C ATOM 258 SG CYS A 19 -1.302 -2.481 7.921 1.00 0.00 S ATOM 0 H CYS A 19 1.383 -2.744 9.369 1.00 0.00 H new ATOM 0 HA CYS A 19 -0.763 -4.629 9.608 1.00 0.00 H new ATOM 0 HB2 CYS A 19 0.809 -3.469 7.300 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -0.511 -4.601 7.087 1.00 0.00 H new ATOM 0 HG CYS A 19 -1.547 -1.972 6.750 1.00 0.00 H new ATOM 264 N SER A 20 0.349 -6.921 9.349 1.00 0.00 N ATOM 265 CA SER A 20 0.977 -8.243 9.293 1.00 0.00 C ATOM 266 C SER A 20 0.351 -9.110 8.194 1.00 0.00 C ATOM 267 O SER A 20 0.808 -9.023 7.054 1.00 0.00 O ATOM 268 CB SER A 20 0.968 -8.872 10.693 1.00 0.00 C ATOM 269 OG SER A 20 1.701 -10.073 10.694 1.00 0.00 O ATOM 0 H SER A 20 -0.612 -6.947 9.690 1.00 0.00 H new ATOM 0 HA SER A 20 2.024 -8.153 9.003 1.00 0.00 H new ATOM 0 HB2 SER A 20 1.396 -8.176 11.414 1.00 0.00 H new ATOM 0 HB3 SER A 20 -0.058 -9.064 11.006 1.00 0.00 H new ATOM 0 HG SER A 20 1.689 -10.463 11.593 1.00 0.00 H new ATOM 275 N SER A 21 -0.761 -9.816 8.451 1.00 0.00 N ATOM 276 CA SER A 21 -1.422 -10.693 7.476 1.00 0.00 C ATOM 277 C SER A 21 -1.723 -10.011 6.138 1.00 0.00 C ATOM 278 O SER A 21 -1.686 -10.649 5.091 1.00 0.00 O ATOM 279 CB SER A 21 -2.747 -11.197 8.064 1.00 0.00 C ATOM 280 OG SER A 21 -2.566 -11.720 9.367 1.00 0.00 O ATOM 0 H SER A 21 -1.232 -9.792 9.355 1.00 0.00 H new ATOM 0 HA SER A 21 -0.726 -11.508 7.278 1.00 0.00 H new ATOM 0 HB2 SER A 21 -3.468 -10.380 8.095 1.00 0.00 H new ATOM 0 HB3 SER A 21 -3.165 -11.967 7.416 1.00 0.00 H new ATOM 0 HG SER A 21 -3.427 -12.032 9.717 1.00 0.00 H new ATOM 286 N CYS A 22 -2.007 -8.710 6.152 1.00 0.00 N ATOM 287 CA CYS A 22 -2.316 -7.992 4.929 1.00 0.00 C ATOM 288 C CYS A 22 -1.100 -7.912 3.999 1.00 0.00 C ATOM 289 O CYS A 22 -1.273 -7.801 2.786 1.00 0.00 O ATOM 290 CB CYS A 22 -2.842 -6.596 5.285 1.00 0.00 C ATOM 291 SG CYS A 22 -4.087 -6.652 6.614 1.00 0.00 S ATOM 0 H CYS A 22 -2.028 -8.138 6.996 1.00 0.00 H new ATOM 0 HA CYS A 22 -3.088 -8.536 4.384 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -2.010 -5.964 5.595 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -3.279 -6.137 4.398 1.00 0.00 H new ATOM 0 HG CYS A 22 -4.859 -5.609 6.530 1.00 0.00 H new ATOM 297 N LEU A 23 0.114 -7.877 4.563 1.00 0.00 N ATOM 298 CA LEU A 23 1.349 -7.811 3.810 1.00 0.00 C ATOM 299 C LEU A 23 1.562 -9.178 3.192 1.00 0.00 C ATOM 300 O LEU A 23 1.982 -9.226 2.042 1.00 0.00 O ATOM 301 CB LEU A 23 2.523 -7.308 4.686 1.00 0.00 C ATOM 302 CG LEU A 23 3.504 -8.341 5.286 1.00 0.00 C ATOM 303 CD1 LEU A 23 4.589 -8.771 4.287 1.00 0.00 C ATOM 304 CD2 LEU A 23 4.200 -7.712 6.501 1.00 0.00 C ATOM 0 H LEU A 23 0.256 -7.895 5.573 1.00 0.00 H new ATOM 0 HA LEU A 23 1.295 -7.074 3.008 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.106 -6.610 4.086 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.097 -6.739 5.513 1.00 0.00 H new ATOM 0 HG LEU A 23 2.924 -9.223 5.559 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.251 -9.497 4.759 1.00 0.00 H new ATOM 0 HD12 LEU A 23 4.120 -9.222 3.413 1.00 0.00 H new ATOM 0 HD13 LEU A 23 5.167 -7.899 3.980 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.896 -8.431 6.934 1.00 0.00 H new ATOM 0 HD22 LEU A 23 4.746 -6.822 6.187 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.453 -7.436 7.245 1.00 0.00 H new ATOM 316 N ASP A 24 1.248 -10.245 3.943 1.00 0.00 N ATOM 317 CA ASP A 24 1.375 -11.633 3.514 1.00 0.00 C ATOM 318 C ASP A 24 0.523 -11.821 2.274 1.00 0.00 C ATOM 319 O ASP A 24 1.026 -12.284 1.254 1.00 0.00 O ATOM 320 CB ASP A 24 0.972 -12.629 4.611 1.00 0.00 C ATOM 321 CG ASP A 24 1.112 -14.062 4.094 1.00 0.00 C ATOM 322 OD1 ASP A 24 2.263 -14.444 3.793 1.00 0.00 O ATOM 323 OD2 ASP A 24 0.091 -14.794 4.018 1.00 0.00 O ATOM 0 H ASP A 24 0.888 -10.155 4.893 1.00 0.00 H new ATOM 0 HA ASP A 24 2.423 -11.839 3.295 1.00 0.00 H new ATOM 0 HB2 ASP A 24 1.600 -12.488 5.490 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -0.056 -12.444 4.921 1.00 0.00 H new ATOM 328 N TYR A 25 -0.743 -11.393 2.336 1.00 0.00 N ATOM 329 CA TYR A 25 -1.663 -11.494 1.215 1.00 0.00 C ATOM 330 C TYR A 25 -1.068 -10.745 0.024 1.00 0.00 C ATOM 331 O TYR A 25 -0.948 -11.312 -1.057 1.00 0.00 O ATOM 332 CB TYR A 25 -3.055 -10.961 1.599 1.00 0.00 C ATOM 333 CG TYR A 25 -3.714 -11.625 2.802 1.00 0.00 C ATOM 334 CD1 TYR A 25 -4.575 -10.898 3.651 1.00 0.00 C ATOM 335 CD2 TYR A 25 -3.463 -12.979 3.082 1.00 0.00 C ATOM 336 CE1 TYR A 25 -5.136 -11.514 4.787 1.00 0.00 C ATOM 337 CE2 TYR A 25 -4.025 -13.606 4.199 1.00 0.00 C ATOM 338 CZ TYR A 25 -4.853 -12.872 5.071 1.00 0.00 C ATOM 339 OH TYR A 25 -5.390 -13.473 6.169 1.00 0.00 O ATOM 0 H TYR A 25 -1.151 -10.968 3.168 1.00 0.00 H new ATOM 0 HA TYR A 25 -1.799 -12.539 0.937 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -2.971 -9.893 1.799 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -3.716 -11.074 0.739 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -4.805 -9.866 3.429 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -2.824 -13.547 2.422 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -5.783 -10.950 5.442 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -3.825 -14.650 4.392 1.00 0.00 H new ATOM 0 HH TYR A 25 -5.092 -14.406 6.210 1.00 0.00 H new ATOM 349 N PHE A 26 -0.638 -9.494 0.206 1.00 0.00 N ATOM 350 CA PHE A 26 -0.048 -8.709 -0.863 1.00 0.00 C ATOM 351 C PHE A 26 1.166 -9.363 -1.537 1.00 0.00 C ATOM 352 O PHE A 26 1.210 -9.418 -2.770 1.00 0.00 O ATOM 353 CB PHE A 26 0.323 -7.349 -0.287 1.00 0.00 C ATOM 354 CG PHE A 26 -0.585 -6.254 -0.762 1.00 0.00 C ATOM 355 CD1 PHE A 26 -0.382 -5.691 -2.033 1.00 0.00 C ATOM 356 CD2 PHE A 26 -1.651 -5.834 0.047 1.00 0.00 C ATOM 357 CE1 PHE A 26 -1.231 -4.669 -2.477 1.00 0.00 C ATOM 358 CE2 PHE A 26 -2.513 -4.836 -0.416 1.00 0.00 C ATOM 359 CZ PHE A 26 -2.296 -4.238 -1.672 1.00 0.00 C ATOM 0 H PHE A 26 -0.692 -9.004 1.099 1.00 0.00 H new ATOM 0 HA PHE A 26 -0.788 -8.622 -1.659 1.00 0.00 H new ATOM 0 HB2 PHE A 26 0.289 -7.398 0.801 1.00 0.00 H new ATOM 0 HB3 PHE A 26 1.350 -7.110 -0.563 1.00 0.00 H new ATOM 0 HD1 PHE A 26 0.422 -6.043 -2.662 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -1.804 -6.278 1.019 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -1.065 -4.212 -3.441 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -3.349 -4.522 0.192 1.00 0.00 H new ATOM 0 HZ PHE A 26 -2.948 -3.449 -2.015 1.00 0.00 H new ATOM 369 N THR A 27 2.167 -9.801 -0.765 1.00 0.00 N ATOM 370 CA THR A 27 3.354 -10.430 -1.340 1.00 0.00 C ATOM 371 C THR A 27 2.977 -11.772 -1.995 1.00 0.00 C ATOM 372 O THR A 27 3.501 -12.092 -3.065 1.00 0.00 O ATOM 373 CB THR A 27 4.510 -10.443 -0.314 1.00 0.00 C ATOM 374 OG1 THR A 27 5.738 -10.760 -0.941 1.00 0.00 O ATOM 375 CG2 THR A 27 4.290 -11.360 0.897 1.00 0.00 C ATOM 0 H THR A 27 2.176 -9.731 0.253 1.00 0.00 H new ATOM 0 HA THR A 27 3.758 -9.843 -2.165 1.00 0.00 H new ATOM 0 HB THR A 27 4.539 -9.428 0.083 1.00 0.00 H new ATOM 0 HG1 THR A 27 6.455 -10.761 -0.273 1.00 0.00 H new ATOM 0 HG21 THR A 27 5.154 -11.302 1.559 1.00 0.00 H new ATOM 0 HG22 THR A 27 3.397 -11.043 1.436 1.00 0.00 H new ATOM 0 HG23 THR A 27 4.163 -12.388 0.557 1.00 0.00 H new ATOM 383 N THR A 28 2.013 -12.509 -1.427 1.00 0.00 N ATOM 384 CA THR A 28 1.559 -13.774 -1.984 1.00 0.00 C ATOM 385 C THR A 28 0.887 -13.503 -3.337 1.00 0.00 C ATOM 386 O THR A 28 1.138 -14.240 -4.292 1.00 0.00 O ATOM 387 CB THR A 28 0.641 -14.480 -0.972 1.00 0.00 C ATOM 388 OG1 THR A 28 1.355 -14.704 0.235 1.00 0.00 O ATOM 389 CG2 THR A 28 0.154 -15.832 -1.482 1.00 0.00 C ATOM 0 H THR A 28 1.531 -12.239 -0.570 1.00 0.00 H new ATOM 0 HA THR A 28 2.393 -14.451 -2.168 1.00 0.00 H new ATOM 0 HB THR A 28 -0.222 -13.833 -0.814 1.00 0.00 H new ATOM 0 HG1 THR A 28 1.140 -13.996 0.878 1.00 0.00 H new ATOM 0 HG21 THR A 28 -0.491 -16.293 -0.733 1.00 0.00 H new ATOM 0 HG22 THR A 28 -0.406 -15.692 -2.407 1.00 0.00 H new ATOM 0 HG23 THR A 28 1.010 -16.479 -1.671 1.00 0.00 H new ATOM 397 N GLN A 29 0.047 -12.463 -3.456 1.00 0.00 N ATOM 398 CA GLN A 29 -0.603 -12.134 -4.710 1.00 0.00 C ATOM 399 C GLN A 29 0.465 -11.674 -5.720 1.00 0.00 C ATOM 400 O GLN A 29 0.303 -11.929 -6.910 1.00 0.00 O ATOM 401 CB GLN A 29 -1.633 -11.019 -4.474 1.00 0.00 C ATOM 402 CG GLN A 29 -2.839 -11.384 -3.594 1.00 0.00 C ATOM 403 CD GLN A 29 -3.981 -12.006 -4.393 1.00 0.00 C ATOM 404 OE1 GLN A 29 -3.773 -12.868 -5.242 1.00 0.00 O ATOM 405 NE2 GLN A 29 -5.214 -11.579 -4.171 1.00 0.00 N ATOM 0 H GLN A 29 -0.192 -11.838 -2.686 1.00 0.00 H new ATOM 0 HA GLN A 29 -1.119 -13.008 -5.107 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -1.121 -10.171 -4.019 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -2.004 -10.685 -5.443 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -2.521 -12.081 -2.819 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -3.200 -10.488 -3.089 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -5.386 -10.863 -3.465 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -5.992 -11.966 -4.705 1.00 0.00 H new ATOM 414 N GLY A 30 1.590 -11.111 -5.253 1.00 0.00 N ATOM 415 CA GLY A 30 2.692 -10.647 -6.090 1.00 0.00 C ATOM 416 C GLY A 30 2.452 -9.274 -6.707 1.00 0.00 C ATOM 417 O GLY A 30 3.130 -8.909 -7.663 1.00 0.00 O ATOM 0 H GLY A 30 1.756 -10.965 -4.257 1.00 0.00 H new ATOM 0 HA2 GLY A 30 3.603 -10.613 -5.492 1.00 0.00 H new ATOM 0 HA3 GLY A 30 2.861 -11.370 -6.888 1.00 0.00 H new ATOM 421 N LEU A 31 1.550 -8.483 -6.125 1.00 0.00 N ATOM 422 CA LEU A 31 1.143 -7.148 -6.574 1.00 0.00 C ATOM 423 C LEU A 31 1.455 -6.064 -5.537 1.00 0.00 C ATOM 424 O LEU A 31 0.722 -5.086 -5.404 1.00 0.00 O ATOM 425 CB LEU A 31 -0.342 -7.194 -7.017 1.00 0.00 C ATOM 426 CG LEU A 31 -1.296 -7.986 -6.103 1.00 0.00 C ATOM 427 CD1 LEU A 31 -1.454 -7.389 -4.703 1.00 0.00 C ATOM 428 CD2 LEU A 31 -2.683 -8.173 -6.713 1.00 0.00 C ATOM 0 H LEU A 31 1.055 -8.771 -5.281 1.00 0.00 H new ATOM 0 HA LEU A 31 1.736 -6.858 -7.442 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.710 -6.171 -7.093 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -0.389 -7.624 -8.017 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.809 -8.956 -6.006 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.141 -8.003 -4.121 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.483 -7.361 -4.208 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.850 -6.377 -4.782 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.311 -8.738 -6.024 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.134 -7.198 -6.898 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.596 -8.717 -7.654 1.00 0.00 H new ATOM 440 N THR A 32 2.485 -6.247 -4.713 1.00 0.00 N ATOM 441 CA THR A 32 2.845 -5.252 -3.709 1.00 0.00 C ATOM 442 C THR A 32 3.820 -4.266 -4.330 1.00 0.00 C ATOM 443 O THR A 32 4.904 -4.645 -4.769 1.00 0.00 O ATOM 444 CB THR A 32 3.402 -5.967 -2.464 1.00 0.00 C ATOM 445 OG1 THR A 32 4.016 -5.093 -1.545 1.00 0.00 O ATOM 446 CG2 THR A 32 4.374 -7.117 -2.716 1.00 0.00 C ATOM 0 H THR A 32 3.083 -7.073 -4.722 1.00 0.00 H new ATOM 0 HA THR A 32 1.977 -4.681 -3.378 1.00 0.00 H new ATOM 0 HB THR A 32 2.488 -6.393 -2.051 1.00 0.00 H new ATOM 0 HG1 THR A 32 4.059 -5.521 -0.665 1.00 0.00 H new ATOM 0 HG21 THR A 32 4.695 -7.538 -1.763 1.00 0.00 H new ATOM 0 HG22 THR A 32 3.879 -7.889 -3.306 1.00 0.00 H new ATOM 0 HG23 THR A 32 5.243 -6.746 -3.260 1.00 0.00 H new ATOM 454 N THR A 33 3.444 -2.989 -4.380 1.00 0.00 N ATOM 455 CA THR A 33 4.292 -1.945 -4.921 1.00 0.00 C ATOM 456 C THR A 33 3.852 -0.615 -4.306 1.00 0.00 C ATOM 457 O THR A 33 2.667 -0.441 -4.031 1.00 0.00 O ATOM 458 CB THR A 33 4.194 -1.992 -6.463 1.00 0.00 C ATOM 459 OG1 THR A 33 4.321 -0.700 -7.012 1.00 0.00 O ATOM 460 CG2 THR A 33 2.946 -2.711 -7.038 1.00 0.00 C ATOM 0 H THR A 33 2.540 -2.656 -4.044 1.00 0.00 H new ATOM 0 HA THR A 33 5.344 -2.079 -4.671 1.00 0.00 H new ATOM 0 HB THR A 33 5.034 -2.616 -6.769 1.00 0.00 H new ATOM 0 HG1 THR A 33 4.868 -0.742 -7.824 1.00 0.00 H new ATOM 0 HG21 THR A 33 2.980 -2.684 -8.127 1.00 0.00 H new ATOM 0 HG22 THR A 33 2.936 -3.747 -6.701 1.00 0.00 H new ATOM 0 HG23 THR A 33 2.044 -2.207 -6.691 1.00 0.00 H new ATOM 468 N ILE A 34 4.779 0.326 -4.109 1.00 0.00 N ATOM 469 CA ILE A 34 4.447 1.631 -3.515 1.00 0.00 C ATOM 470 C ILE A 34 3.805 2.589 -4.526 1.00 0.00 C ATOM 471 O ILE A 34 2.719 3.122 -4.319 1.00 0.00 O ATOM 472 CB ILE A 34 5.625 2.291 -2.742 1.00 0.00 C ATOM 473 CG1 ILE A 34 6.538 1.252 -2.045 1.00 0.00 C ATOM 474 CG2 ILE A 34 5.019 3.265 -1.710 1.00 0.00 C ATOM 475 CD1 ILE A 34 7.425 1.791 -0.910 1.00 0.00 C ATOM 0 H ILE A 34 5.764 0.213 -4.350 1.00 0.00 H new ATOM 0 HA ILE A 34 3.693 1.414 -2.758 1.00 0.00 H new ATOM 0 HB ILE A 34 6.263 2.819 -3.450 1.00 0.00 H new ATOM 0 HG12 ILE A 34 5.910 0.457 -1.643 1.00 0.00 H new ATOM 0 HG13 ILE A 34 7.182 0.799 -2.799 1.00 0.00 H new ATOM 0 HG21 ILE A 34 5.820 3.746 -1.149 1.00 0.00 H new ATOM 0 HG22 ILE A 34 4.432 4.024 -2.227 1.00 0.00 H new ATOM 0 HG23 ILE A 34 4.376 2.714 -1.024 1.00 0.00 H new ATOM 0 HD11 ILE A 34 8.020 0.977 -0.496 1.00 0.00 H new ATOM 0 HD12 ILE A 34 8.088 2.563 -1.301 1.00 0.00 H new ATOM 0 HD13 ILE A 34 6.796 2.216 -0.127 1.00 0.00 H new ATOM 487 N TYR A 35 4.484 2.801 -5.651 1.00 0.00 N ATOM 488 CA TYR A 35 4.045 3.713 -6.699 1.00 0.00 C ATOM 489 C TYR A 35 2.715 3.285 -7.308 1.00 0.00 C ATOM 490 O TYR A 35 1.989 4.121 -7.842 1.00 0.00 O ATOM 491 CB TYR A 35 5.145 3.835 -7.763 1.00 0.00 C ATOM 492 CG TYR A 35 6.524 4.059 -7.162 1.00 0.00 C ATOM 493 CD1 TYR A 35 7.315 2.945 -6.828 1.00 0.00 C ATOM 494 CD2 TYR A 35 6.989 5.351 -6.857 1.00 0.00 C ATOM 495 CE1 TYR A 35 8.565 3.097 -6.211 1.00 0.00 C ATOM 496 CE2 TYR A 35 8.257 5.522 -6.271 1.00 0.00 C ATOM 497 CZ TYR A 35 9.056 4.397 -5.959 1.00 0.00 C ATOM 498 OH TYR A 35 10.307 4.559 -5.441 1.00 0.00 O ATOM 0 H TYR A 35 5.367 2.336 -5.861 1.00 0.00 H new ATOM 0 HA TYR A 35 3.873 4.694 -6.256 1.00 0.00 H new ATOM 0 HB2 TYR A 35 5.160 2.929 -8.369 1.00 0.00 H new ATOM 0 HB3 TYR A 35 4.907 4.662 -8.432 1.00 0.00 H new ATOM 0 HD1 TYR A 35 6.952 1.953 -7.051 1.00 0.00 H new ATOM 0 HD2 TYR A 35 6.373 6.212 -7.072 1.00 0.00 H new ATOM 0 HE1 TYR A 35 9.145 2.230 -5.932 1.00 0.00 H new ATOM 0 HE2 TYR A 35 8.622 6.516 -6.059 1.00 0.00 H new ATOM 0 HH TYR A 35 10.493 5.515 -5.328 1.00 0.00 H new ATOM 508 N GLN A 36 2.374 1.998 -7.236 1.00 0.00 N ATOM 509 CA GLN A 36 1.110 1.533 -7.789 1.00 0.00 C ATOM 510 C GLN A 36 -0.037 1.929 -6.866 1.00 0.00 C ATOM 511 O GLN A 36 -1.012 2.484 -7.360 1.00 0.00 O ATOM 512 CB GLN A 36 1.114 0.028 -8.040 1.00 0.00 C ATOM 513 CG GLN A 36 1.919 -0.421 -9.276 1.00 0.00 C ATOM 514 CD GLN A 36 1.641 0.344 -10.564 1.00 0.00 C ATOM 515 OE1 GLN A 36 0.504 0.662 -10.906 1.00 0.00 O ATOM 516 NE2 GLN A 36 2.675 0.653 -11.327 1.00 0.00 N ATOM 0 H GLN A 36 2.948 1.272 -6.807 1.00 0.00 H new ATOM 0 HA GLN A 36 0.970 2.013 -8.757 1.00 0.00 H new ATOM 0 HB2 GLN A 36 1.519 -0.472 -7.160 1.00 0.00 H new ATOM 0 HB3 GLN A 36 0.084 -0.310 -8.153 1.00 0.00 H new ATOM 0 HG2 GLN A 36 2.981 -0.333 -9.046 1.00 0.00 H new ATOM 0 HG3 GLN A 36 1.718 -1.478 -9.453 1.00 0.00 H new ATOM 0 HE21 GLN A 36 3.617 0.388 -11.041 1.00 0.00 H new ATOM 0 HE22 GLN A 36 2.531 1.157 -12.202 1.00 0.00 H new ATOM 525 N ILE A 37 0.041 1.694 -5.547 1.00 0.00 N ATOM 526 CA ILE A 37 -1.050 2.080 -4.636 1.00 0.00 C ATOM 527 C ILE A 37 -1.295 3.594 -4.660 1.00 0.00 C ATOM 528 O ILE A 37 -2.410 4.041 -4.401 1.00 0.00 O ATOM 529 CB ILE A 37 -0.835 1.559 -3.202 1.00 0.00 C ATOM 530 CG1 ILE A 37 0.547 1.936 -2.641 1.00 0.00 C ATOM 531 CG2 ILE A 37 -1.076 0.040 -3.182 1.00 0.00 C ATOM 532 CD1 ILE A 37 0.759 1.602 -1.169 1.00 0.00 C ATOM 0 H ILE A 37 0.836 1.245 -5.091 1.00 0.00 H new ATOM 0 HA ILE A 37 -1.953 1.595 -5.008 1.00 0.00 H new ATOM 0 HB ILE A 37 -1.555 2.042 -2.541 1.00 0.00 H new ATOM 0 HG12 ILE A 37 1.312 1.426 -3.227 1.00 0.00 H new ATOM 0 HG13 ILE A 37 0.699 3.006 -2.781 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -0.926 -0.339 -2.171 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -2.097 -0.171 -3.501 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -0.376 -0.448 -3.860 1.00 0.00 H new ATOM 0 HD11 ILE A 37 1.762 1.905 -0.868 1.00 0.00 H new ATOM 0 HD12 ILE A 37 0.023 2.133 -0.566 1.00 0.00 H new ATOM 0 HD13 ILE A 37 0.645 0.528 -1.019 1.00 0.00 H new ATOM 544 N GLU A 38 -0.275 4.375 -5.016 1.00 0.00 N ATOM 545 CA GLU A 38 -0.351 5.824 -5.119 1.00 0.00 C ATOM 546 C GLU A 38 -1.241 6.224 -6.319 1.00 0.00 C ATOM 547 O GLU A 38 -1.732 7.356 -6.379 1.00 0.00 O ATOM 548 CB GLU A 38 1.089 6.330 -5.250 1.00 0.00 C ATOM 549 CG GLU A 38 1.223 7.851 -5.316 1.00 0.00 C ATOM 550 CD GLU A 38 2.688 8.233 -5.502 1.00 0.00 C ATOM 551 OE1 GLU A 38 3.141 8.249 -6.667 1.00 0.00 O ATOM 552 OE2 GLU A 38 3.371 8.518 -4.491 1.00 0.00 O ATOM 0 H GLU A 38 0.647 4.004 -5.245 1.00 0.00 H new ATOM 0 HA GLU A 38 -0.814 6.276 -4.242 1.00 0.00 H new ATOM 0 HB2 GLU A 38 1.668 5.963 -4.402 1.00 0.00 H new ATOM 0 HB3 GLU A 38 1.532 5.900 -6.148 1.00 0.00 H new ATOM 0 HG2 GLU A 38 0.628 8.242 -6.141 1.00 0.00 H new ATOM 0 HG3 GLU A 38 0.834 8.300 -4.402 1.00 0.00 H new ATOM 559 N HIS A 39 -1.472 5.318 -7.275 1.00 0.00 N ATOM 560 CA HIS A 39 -2.298 5.532 -8.463 1.00 0.00 C ATOM 561 C HIS A 39 -3.552 4.646 -8.431 1.00 0.00 C ATOM 562 O HIS A 39 -4.553 4.992 -9.057 1.00 0.00 O ATOM 563 CB HIS A 39 -1.472 5.232 -9.731 1.00 0.00 C ATOM 564 CG HIS A 39 -1.679 6.222 -10.854 1.00 0.00 C ATOM 565 ND1 HIS A 39 -0.693 6.904 -11.533 1.00 0.00 N ATOM 566 CD2 HIS A 39 -2.880 6.618 -11.374 1.00 0.00 C ATOM 567 CE1 HIS A 39 -1.286 7.723 -12.412 1.00 0.00 C ATOM 568 NE2 HIS A 39 -2.625 7.574 -12.370 1.00 0.00 N ATOM 0 H HIS A 39 -1.072 4.380 -7.239 1.00 0.00 H new ATOM 0 HA HIS A 39 -2.620 6.573 -8.476 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -0.415 5.215 -9.467 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -1.727 4.235 -10.089 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -3.853 6.259 -11.072 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -0.764 8.408 -13.064 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -3.314 8.058 -12.946 1.00 0.00 H new ATOM 576 N TYR A 40 -3.539 3.537 -7.691 1.00 0.00 N ATOM 577 CA TYR A 40 -4.641 2.602 -7.570 1.00 0.00 C ATOM 578 C TYR A 40 -5.564 3.089 -6.458 1.00 0.00 C ATOM 579 O TYR A 40 -5.325 2.845 -5.274 1.00 0.00 O ATOM 580 CB TYR A 40 -4.129 1.162 -7.361 1.00 0.00 C ATOM 581 CG TYR A 40 -3.491 0.451 -8.561 1.00 0.00 C ATOM 582 CD1 TYR A 40 -2.528 -0.578 -8.377 1.00 0.00 C ATOM 583 CD2 TYR A 40 -3.925 0.747 -9.874 1.00 0.00 C ATOM 584 CE1 TYR A 40 -2.082 -1.327 -9.482 1.00 0.00 C ATOM 585 CE2 TYR A 40 -3.396 0.069 -10.982 1.00 0.00 C ATOM 586 CZ TYR A 40 -2.475 -0.981 -10.792 1.00 0.00 C ATOM 587 OH TYR A 40 -2.011 -1.687 -11.856 1.00 0.00 O ATOM 0 H TYR A 40 -2.726 3.261 -7.141 1.00 0.00 H new ATOM 0 HA TYR A 40 -5.217 2.566 -8.495 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -3.397 1.180 -6.554 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -4.967 0.555 -7.018 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -2.139 -0.785 -7.391 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -4.676 1.508 -10.026 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -1.432 -2.175 -9.325 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -3.694 0.351 -11.981 1.00 0.00 H new ATOM 0 HH TYR A 40 -2.383 -1.315 -12.683 1.00 0.00 H new ATOM 597 N SER A 41 -6.623 3.795 -6.855 1.00 0.00 N ATOM 598 CA SER A 41 -7.619 4.360 -5.962 1.00 0.00 C ATOM 599 C SER A 41 -8.420 3.256 -5.263 1.00 0.00 C ATOM 600 O SER A 41 -8.360 2.082 -5.641 1.00 0.00 O ATOM 601 CB SER A 41 -8.570 5.265 -6.763 1.00 0.00 C ATOM 602 OG SER A 41 -7.965 5.858 -7.898 1.00 0.00 O ATOM 0 H SER A 41 -6.812 3.992 -7.838 1.00 0.00 H new ATOM 0 HA SER A 41 -7.107 4.945 -5.198 1.00 0.00 H new ATOM 0 HB2 SER A 41 -9.431 4.679 -7.085 1.00 0.00 H new ATOM 0 HB3 SER A 41 -8.946 6.052 -6.109 1.00 0.00 H new ATOM 0 HG SER A 41 -8.621 6.418 -8.363 1.00 0.00 H new ATOM 608 N MET A 42 -9.277 3.672 -4.326 1.00 0.00 N ATOM 609 CA MET A 42 -10.154 2.831 -3.511 1.00 0.00 C ATOM 610 C MET A 42 -10.969 1.800 -4.313 1.00 0.00 C ATOM 611 O MET A 42 -11.339 0.754 -3.779 1.00 0.00 O ATOM 612 CB MET A 42 -11.097 3.756 -2.717 1.00 0.00 C ATOM 613 CG MET A 42 -12.135 4.419 -3.636 1.00 0.00 C ATOM 614 SD MET A 42 -13.308 5.544 -2.866 1.00 0.00 S ATOM 615 CE MET A 42 -14.172 6.002 -4.393 1.00 0.00 C ATOM 0 H MET A 42 -9.382 4.662 -4.104 1.00 0.00 H new ATOM 0 HA MET A 42 -9.519 2.239 -2.852 1.00 0.00 H new ATOM 0 HB2 MET A 42 -11.607 3.181 -1.944 1.00 0.00 H new ATOM 0 HB3 MET A 42 -10.514 4.525 -2.210 1.00 0.00 H new ATOM 0 HG2 MET A 42 -11.600 4.967 -4.412 1.00 0.00 H new ATOM 0 HG3 MET A 42 -12.699 3.630 -4.134 1.00 0.00 H new ATOM 0 HE1 MET A 42 -14.966 6.712 -4.163 1.00 0.00 H new ATOM 0 HE2 MET A 42 -13.467 6.459 -5.087 1.00 0.00 H new ATOM 0 HE3 MET A 42 -14.603 5.111 -4.848 1.00 0.00 H new ATOM 625 N ASP A 43 -11.268 2.082 -5.581 1.00 0.00 N ATOM 626 CA ASP A 43 -12.048 1.204 -6.439 1.00 0.00 C ATOM 627 C ASP A 43 -11.251 0.000 -6.929 1.00 0.00 C ATOM 628 O ASP A 43 -11.793 -1.105 -6.932 1.00 0.00 O ATOM 629 CB ASP A 43 -12.585 1.987 -7.630 1.00 0.00 C ATOM 630 CG ASP A 43 -13.511 1.110 -8.470 1.00 0.00 C ATOM 631 OD1 ASP A 43 -13.158 0.746 -9.616 1.00 0.00 O ATOM 632 OD2 ASP A 43 -14.613 0.785 -7.970 1.00 0.00 O ATOM 0 H ASP A 43 -10.969 2.940 -6.043 1.00 0.00 H new ATOM 0 HA ASP A 43 -12.873 0.821 -5.839 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -13.125 2.867 -7.281 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -11.757 2.343 -8.242 1.00 0.00 H new ATOM 637 N ASP A 44 -9.994 0.184 -7.350 1.00 0.00 N ATOM 638 CA ASP A 44 -9.160 -0.930 -7.828 1.00 0.00 C ATOM 639 C ASP A 44 -8.942 -1.884 -6.665 1.00 0.00 C ATOM 640 O ASP A 44 -9.105 -3.098 -6.790 1.00 0.00 O ATOM 641 CB ASP A 44 -7.791 -0.457 -8.348 1.00 0.00 C ATOM 642 CG ASP A 44 -7.567 -0.824 -9.816 1.00 0.00 C ATOM 643 OD1 ASP A 44 -7.565 0.114 -10.640 1.00 0.00 O ATOM 644 OD2 ASP A 44 -7.328 -2.011 -10.145 1.00 0.00 O ATOM 0 H ASP A 44 -9.530 1.092 -7.370 1.00 0.00 H new ATOM 0 HA ASP A 44 -9.675 -1.412 -8.659 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -7.714 0.624 -8.231 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -7.002 -0.900 -7.741 1.00 0.00 H new ATOM 649 N LEU A 45 -8.625 -1.303 -5.505 1.00 0.00 N ATOM 650 CA LEU A 45 -8.381 -2.016 -4.264 1.00 0.00 C ATOM 651 C LEU A 45 -9.632 -2.820 -3.917 1.00 0.00 C ATOM 652 O LEU A 45 -9.518 -3.985 -3.551 1.00 0.00 O ATOM 653 CB LEU A 45 -7.981 -1.037 -3.147 1.00 0.00 C ATOM 654 CG LEU A 45 -6.804 -0.109 -3.512 1.00 0.00 C ATOM 655 CD1 LEU A 45 -6.700 1.015 -2.483 1.00 0.00 C ATOM 656 CD2 LEU A 45 -5.461 -0.839 -3.604 1.00 0.00 C ATOM 0 H LEU A 45 -8.530 -0.292 -5.408 1.00 0.00 H new ATOM 0 HA LEU A 45 -7.545 -2.707 -4.377 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -8.845 -0.425 -2.889 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -7.717 -1.607 -2.257 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.016 0.290 -4.504 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -5.868 1.670 -2.742 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -7.626 1.590 -2.477 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -6.532 0.589 -1.494 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -4.677 -0.128 -3.864 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -5.230 -1.298 -2.643 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.519 -1.612 -4.371 1.00 0.00 H new ATOM 668 N ALA A 46 -10.831 -2.237 -4.037 1.00 0.00 N ATOM 669 CA ALA A 46 -12.055 -2.977 -3.748 1.00 0.00 C ATOM 670 C ALA A 46 -12.156 -4.161 -4.721 1.00 0.00 C ATOM 671 O ALA A 46 -12.432 -5.279 -4.294 1.00 0.00 O ATOM 672 CB ALA A 46 -13.271 -2.050 -3.823 1.00 0.00 C ATOM 0 H ALA A 46 -10.974 -1.270 -4.328 1.00 0.00 H new ATOM 0 HA ALA A 46 -12.030 -3.371 -2.732 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -14.175 -2.618 -3.605 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -13.162 -1.247 -3.094 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -13.343 -1.624 -4.824 1.00 0.00 H new ATOM 678 N SER A 47 -11.900 -3.931 -6.014 1.00 0.00 N ATOM 679 CA SER A 47 -11.940 -4.975 -7.035 1.00 0.00 C ATOM 680 C SER A 47 -10.816 -6.021 -6.844 1.00 0.00 C ATOM 681 O SER A 47 -10.900 -7.117 -7.406 1.00 0.00 O ATOM 682 CB SER A 47 -11.924 -4.335 -8.422 1.00 0.00 C ATOM 683 OG SER A 47 -13.147 -3.676 -8.716 1.00 0.00 O ATOM 0 H SER A 47 -11.658 -3.010 -6.379 1.00 0.00 H new ATOM 0 HA SER A 47 -12.871 -5.532 -6.931 1.00 0.00 H new ATOM 0 HB2 SER A 47 -11.103 -3.620 -8.482 1.00 0.00 H new ATOM 0 HB3 SER A 47 -11.735 -5.102 -9.173 1.00 0.00 H new ATOM 0 HG SER A 47 -13.097 -3.278 -9.610 1.00 0.00 H new ATOM 689 N LEU A 48 -9.773 -5.731 -6.049 1.00 0.00 N ATOM 690 CA LEU A 48 -8.677 -6.660 -5.738 1.00 0.00 C ATOM 691 C LEU A 48 -9.125 -7.594 -4.588 1.00 0.00 C ATOM 692 O LEU A 48 -8.316 -8.374 -4.087 1.00 0.00 O ATOM 693 CB LEU A 48 -7.368 -5.936 -5.337 1.00 0.00 C ATOM 694 CG LEU A 48 -6.459 -5.365 -6.436 1.00 0.00 C ATOM 695 CD1 LEU A 48 -5.140 -4.936 -5.775 1.00 0.00 C ATOM 696 CD2 LEU A 48 -6.117 -6.359 -7.549 1.00 0.00 C ATOM 0 H LEU A 48 -9.667 -4.824 -5.595 1.00 0.00 H new ATOM 0 HA LEU A 48 -8.460 -7.228 -6.643 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -7.638 -5.113 -4.675 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -6.773 -6.636 -4.750 1.00 0.00 H new ATOM 0 HG LEU A 48 -7.003 -4.542 -6.900 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -4.471 -4.525 -6.531 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -5.342 -4.178 -5.018 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -4.670 -5.800 -5.306 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -5.472 -5.876 -8.283 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -5.600 -7.219 -7.123 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -7.035 -6.691 -8.035 1.00 0.00 H new ATOM 708 N LYS A 49 -10.404 -7.552 -4.177 1.00 0.00 N ATOM 709 CA LYS A 49 -11.024 -8.342 -3.106 1.00 0.00 C ATOM 710 C LYS A 49 -10.545 -7.868 -1.732 1.00 0.00 C ATOM 711 O LYS A 49 -10.515 -8.654 -0.779 1.00 0.00 O ATOM 712 CB LYS A 49 -10.910 -9.874 -3.314 1.00 0.00 C ATOM 713 CG LYS A 49 -11.658 -10.423 -4.539 1.00 0.00 C ATOM 714 CD LYS A 49 -10.927 -10.204 -5.872 1.00 0.00 C ATOM 715 CE LYS A 49 -11.688 -10.788 -7.060 1.00 0.00 C ATOM 716 NZ LYS A 49 -13.016 -10.174 -7.231 1.00 0.00 N ATOM 0 H LYS A 49 -11.075 -6.922 -4.616 1.00 0.00 H new ATOM 0 HA LYS A 49 -12.097 -8.156 -3.151 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -9.856 -10.135 -3.404 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -11.287 -10.375 -2.423 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -11.825 -11.491 -4.400 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -12.639 -9.951 -4.593 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -10.778 -9.136 -6.030 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -9.938 -10.659 -5.819 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -11.104 -10.644 -7.969 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -11.803 -11.863 -6.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -13.424 -10.476 -8.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -13.640 -10.474 -6.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -12.924 -9.138 -7.220 1.00 0.00 H new ATOM 730 N ILE A 50 -10.158 -6.597 -1.620 1.00 0.00 N ATOM 731 CA ILE A 50 -9.676 -5.999 -0.389 1.00 0.00 C ATOM 732 C ILE A 50 -10.883 -5.384 0.343 1.00 0.00 C ATOM 733 O ILE A 50 -11.494 -4.453 -0.189 1.00 0.00 O ATOM 734 CB ILE A 50 -8.590 -4.950 -0.696 1.00 0.00 C ATOM 735 CG1 ILE A 50 -7.510 -5.431 -1.698 1.00 0.00 C ATOM 736 CG2 ILE A 50 -7.936 -4.561 0.625 1.00 0.00 C ATOM 737 CD1 ILE A 50 -6.594 -6.553 -1.204 1.00 0.00 C ATOM 0 H ILE A 50 -10.174 -5.945 -2.405 1.00 0.00 H new ATOM 0 HA ILE A 50 -9.214 -6.749 0.253 1.00 0.00 H new ATOM 0 HB ILE A 50 -9.075 -4.102 -1.179 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -8.009 -5.769 -2.606 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -6.891 -4.577 -1.973 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -7.160 -3.818 0.442 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -8.688 -4.143 1.294 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -7.491 -5.444 1.085 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -5.879 -6.809 -1.985 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -6.057 -6.220 -0.316 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -7.193 -7.430 -0.959 1.00 0.00 H new ATOM 749 N PRO A 51 -11.237 -5.841 1.556 1.00 0.00 N ATOM 750 CA PRO A 51 -12.373 -5.316 2.314 1.00 0.00 C ATOM 751 C PRO A 51 -12.086 -3.931 2.902 1.00 0.00 C ATOM 752 O PRO A 51 -10.955 -3.645 3.294 1.00 0.00 O ATOM 753 CB PRO A 51 -12.597 -6.329 3.440 1.00 0.00 C ATOM 754 CG PRO A 51 -11.216 -6.946 3.656 1.00 0.00 C ATOM 755 CD PRO A 51 -10.586 -6.924 2.274 1.00 0.00 C ATOM 0 HA PRO A 51 -13.245 -5.192 1.672 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -12.965 -5.846 4.345 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -13.332 -7.083 3.159 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -10.629 -6.371 4.372 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -11.289 -7.961 4.046 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -9.510 -6.759 2.338 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -10.733 -7.875 1.763 1.00 0.00 H new ATOM 763 N GLU A 52 -13.121 -3.091 3.021 1.00 0.00 N ATOM 764 CA GLU A 52 -13.099 -1.725 3.565 1.00 0.00 C ATOM 765 C GLU A 52 -12.384 -1.625 4.909 1.00 0.00 C ATOM 766 O GLU A 52 -11.655 -0.652 5.131 1.00 0.00 O ATOM 767 CB GLU A 52 -14.516 -1.138 3.694 1.00 0.00 C ATOM 768 CG GLU A 52 -15.471 -1.858 4.657 1.00 0.00 C ATOM 769 CD GLU A 52 -15.651 -3.322 4.280 1.00 0.00 C ATOM 770 OE1 GLU A 52 -15.194 -4.195 5.050 1.00 0.00 O ATOM 771 OE2 GLU A 52 -16.105 -3.592 3.143 1.00 0.00 O ATOM 0 H GLU A 52 -14.057 -3.363 2.721 1.00 0.00 H new ATOM 0 HA GLU A 52 -12.531 -1.139 2.842 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -14.427 -0.100 4.014 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -14.973 -1.128 2.704 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -15.084 -1.789 5.673 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -16.440 -1.358 4.650 1.00 0.00 H new ATOM 778 N GLN A 53 -12.525 -2.646 5.765 1.00 0.00 N ATOM 779 CA GLN A 53 -11.909 -2.685 7.088 1.00 0.00 C ATOM 780 C GLN A 53 -10.397 -2.484 7.028 1.00 0.00 C ATOM 781 O GLN A 53 -9.818 -1.934 7.968 1.00 0.00 O ATOM 782 CB GLN A 53 -12.229 -4.018 7.792 1.00 0.00 C ATOM 783 CG GLN A 53 -13.501 -3.964 8.649 1.00 0.00 C ATOM 784 CD GLN A 53 -13.468 -2.829 9.671 1.00 0.00 C ATOM 785 OE1 GLN A 53 -14.430 -2.077 9.796 1.00 0.00 O ATOM 786 NE2 GLN A 53 -12.380 -2.640 10.405 1.00 0.00 N ATOM 0 H GLN A 53 -13.078 -3.476 5.551 1.00 0.00 H new ATOM 0 HA GLN A 53 -12.331 -1.859 7.660 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -12.339 -4.800 7.041 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -11.386 -4.299 8.423 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -14.368 -3.840 8.000 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -13.626 -4.914 9.169 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -11.580 -3.265 10.302 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -12.343 -1.870 11.073 1.00 0.00 H new ATOM 795 N PHE A 54 -9.764 -2.864 5.925 1.00 0.00 N ATOM 796 CA PHE A 54 -8.336 -2.724 5.723 1.00 0.00 C ATOM 797 C PHE A 54 -8.065 -1.789 4.540 1.00 0.00 C ATOM 798 O PHE A 54 -7.257 -0.880 4.684 1.00 0.00 O ATOM 799 CB PHE A 54 -7.737 -4.122 5.578 1.00 0.00 C ATOM 800 CG PHE A 54 -6.455 -4.118 4.794 1.00 0.00 C ATOM 801 CD1 PHE A 54 -6.472 -4.608 3.483 1.00 0.00 C ATOM 802 CD2 PHE A 54 -5.294 -3.527 5.318 1.00 0.00 C ATOM 803 CE1 PHE A 54 -5.309 -4.555 2.703 1.00 0.00 C ATOM 804 CE2 PHE A 54 -4.127 -3.467 4.542 1.00 0.00 C ATOM 805 CZ PHE A 54 -4.144 -3.983 3.230 1.00 0.00 C ATOM 0 H PHE A 54 -10.244 -3.287 5.131 1.00 0.00 H new ATOM 0 HA PHE A 54 -7.848 -2.253 6.576 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -7.553 -4.540 6.568 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -8.459 -4.774 5.086 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -7.380 -5.026 3.073 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -5.300 -3.119 6.318 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -5.311 -4.954 1.699 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -3.225 -3.030 4.945 1.00 0.00 H new ATOM 0 HZ PHE A 54 -3.250 -3.937 2.626 1.00 0.00 H new ATOM 815 N ARG A 55 -8.780 -1.920 3.422 1.00 0.00 N ATOM 816 CA ARG A 55 -8.662 -1.118 2.201 1.00 0.00 C ATOM 817 C ARG A 55 -8.556 0.389 2.455 1.00 0.00 C ATOM 818 O ARG A 55 -7.633 1.040 1.958 1.00 0.00 O ATOM 819 CB ARG A 55 -9.866 -1.457 1.319 1.00 0.00 C ATOM 820 CG ARG A 55 -9.914 -0.672 0.004 1.00 0.00 C ATOM 821 CD ARG A 55 -11.112 -1.090 -0.852 1.00 0.00 C ATOM 822 NE ARG A 55 -12.401 -0.600 -0.326 1.00 0.00 N ATOM 823 CZ ARG A 55 -13.531 -1.300 -0.160 1.00 0.00 C ATOM 824 NH1 ARG A 55 -13.556 -2.623 -0.245 1.00 0.00 N ATOM 825 NH2 ARG A 55 -14.660 -0.652 0.094 1.00 0.00 N ATOM 0 H ARG A 55 -9.503 -2.634 3.339 1.00 0.00 H new ATOM 0 HA ARG A 55 -7.725 -1.370 1.705 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -9.850 -2.523 1.094 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -10.780 -1.263 1.880 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -9.972 0.395 0.217 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -8.992 -0.836 -0.553 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -10.974 -0.715 -1.866 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -11.143 -2.178 -0.916 1.00 0.00 H new ATOM 0 HE ARG A 55 -12.435 0.384 -0.058 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -12.698 -3.138 -0.442 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -14.434 -3.126 -0.113 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -14.660 0.366 0.161 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -15.528 -1.171 0.223 1.00 0.00 H new ATOM 839 N HIS A 56 -9.515 0.967 3.182 1.00 0.00 N ATOM 840 CA HIS A 56 -9.450 2.403 3.427 1.00 0.00 C ATOM 841 C HIS A 56 -8.240 2.749 4.295 1.00 0.00 C ATOM 842 O HIS A 56 -7.695 3.830 4.119 1.00 0.00 O ATOM 843 CB HIS A 56 -10.778 2.925 3.980 1.00 0.00 C ATOM 844 CG HIS A 56 -11.948 2.608 3.073 1.00 0.00 C ATOM 845 ND1 HIS A 56 -13.220 2.317 3.495 1.00 0.00 N ATOM 846 CD2 HIS A 56 -11.935 2.493 1.705 1.00 0.00 C ATOM 847 CE1 HIS A 56 -13.956 2.013 2.416 1.00 0.00 C ATOM 848 NE2 HIS A 56 -13.216 2.099 1.298 1.00 0.00 N ATOM 0 H HIS A 56 -10.313 0.484 3.595 1.00 0.00 H new ATOM 0 HA HIS A 56 -9.300 2.922 2.480 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -10.955 2.488 4.963 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -10.711 4.004 4.118 1.00 0.00 H new ATOM 0 HD1 HIS A 56 -13.549 2.330 4.461 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -11.089 2.674 1.059 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -15.000 1.737 2.442 1.00 0.00 H new ATOM 856 N ALA A 57 -7.791 1.854 5.183 1.00 0.00 N ATOM 857 CA ALA A 57 -6.631 2.086 6.029 1.00 0.00 C ATOM 858 C ALA A 57 -5.366 2.103 5.171 1.00 0.00 C ATOM 859 O ALA A 57 -4.604 3.055 5.288 1.00 0.00 O ATOM 860 CB ALA A 57 -6.514 1.036 7.138 1.00 0.00 C ATOM 0 H ALA A 57 -8.230 0.945 5.330 1.00 0.00 H new ATOM 0 HA ALA A 57 -6.754 3.054 6.515 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -5.635 1.246 7.747 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -7.405 1.068 7.765 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -6.419 0.046 6.693 1.00 0.00 H new ATOM 866 N ILE A 58 -5.144 1.111 4.292 1.00 0.00 N ATOM 867 CA ILE A 58 -3.963 1.052 3.435 1.00 0.00 C ATOM 868 C ILE A 58 -3.834 2.344 2.632 1.00 0.00 C ATOM 869 O ILE A 58 -2.773 2.991 2.585 1.00 0.00 O ATOM 870 CB ILE A 58 -3.928 -0.246 2.565 1.00 0.00 C ATOM 871 CG1 ILE A 58 -2.855 -0.160 1.467 1.00 0.00 C ATOM 872 CG2 ILE A 58 -5.237 -0.671 1.908 1.00 0.00 C ATOM 873 CD1 ILE A 58 -2.751 -1.309 0.457 1.00 0.00 C ATOM 0 H ILE A 58 -5.785 0.328 4.161 1.00 0.00 H new ATOM 0 HA ILE A 58 -3.075 0.981 4.063 1.00 0.00 H new ATOM 0 HB ILE A 58 -3.698 -1.011 3.306 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -3.026 0.760 0.907 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -1.886 -0.060 1.957 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -5.077 -1.584 1.334 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -5.988 -0.853 2.677 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -5.583 0.120 1.242 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -1.949 -1.100 -0.251 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -2.536 -2.239 0.984 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -3.694 -1.407 -0.081 1.00 0.00 H new ATOM 885 N TRP A 59 -4.949 2.703 2.005 1.00 0.00 N ATOM 886 CA TRP A 59 -5.000 3.880 1.179 1.00 0.00 C ATOM 887 C TRP A 59 -4.784 5.124 2.021 1.00 0.00 C ATOM 888 O TRP A 59 -3.977 5.972 1.659 1.00 0.00 O ATOM 889 CB TRP A 59 -6.294 3.905 0.377 1.00 0.00 C ATOM 890 CG TRP A 59 -6.124 4.570 -0.944 1.00 0.00 C ATOM 891 CD1 TRP A 59 -5.298 4.138 -1.918 1.00 0.00 C ATOM 892 CD2 TRP A 59 -6.704 5.807 -1.431 1.00 0.00 C ATOM 893 NE1 TRP A 59 -5.396 4.968 -3.012 1.00 0.00 N ATOM 894 CE2 TRP A 59 -6.262 6.017 -2.772 1.00 0.00 C ATOM 895 CE3 TRP A 59 -7.536 6.783 -0.853 1.00 0.00 C ATOM 896 CZ2 TRP A 59 -6.688 7.119 -3.528 1.00 0.00 C ATOM 897 CZ3 TRP A 59 -7.963 7.895 -1.598 1.00 0.00 C ATOM 898 CH2 TRP A 59 -7.553 8.054 -2.933 1.00 0.00 C ATOM 0 H TRP A 59 -5.827 2.187 2.060 1.00 0.00 H new ATOM 0 HA TRP A 59 -4.188 3.858 0.452 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -6.645 2.884 0.226 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -7.063 4.426 0.948 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -4.656 3.272 -1.850 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -4.893 4.826 -3.888 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -7.850 6.676 0.175 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -6.358 7.247 -4.548 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -8.609 8.631 -1.143 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -7.905 8.900 -3.505 1.00 0.00 H new ATOM 909 N LYS A 60 -5.459 5.229 3.167 1.00 0.00 N ATOM 910 CA LYS A 60 -5.312 6.375 4.041 1.00 0.00 C ATOM 911 C LYS A 60 -3.869 6.519 4.495 1.00 0.00 C ATOM 912 O LYS A 60 -3.401 7.653 4.506 1.00 0.00 O ATOM 913 CB LYS A 60 -6.248 6.267 5.255 1.00 0.00 C ATOM 914 CG LYS A 60 -6.125 7.503 6.153 1.00 0.00 C ATOM 915 CD LYS A 60 -7.162 7.502 7.278 1.00 0.00 C ATOM 916 CE LYS A 60 -7.033 8.760 8.139 1.00 0.00 C ATOM 917 NZ LYS A 60 -7.283 9.999 7.378 1.00 0.00 N ATOM 0 H LYS A 60 -6.115 4.525 3.506 1.00 0.00 H new ATOM 0 HA LYS A 60 -5.590 7.265 3.477 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -7.278 6.160 4.916 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -6.006 5.371 5.827 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -5.124 7.540 6.583 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -6.246 8.403 5.550 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -8.165 7.448 6.854 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -7.030 6.616 7.899 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -7.736 8.700 8.970 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -6.033 8.799 8.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -7.418 10.791 8.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -6.470 10.198 6.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -8.138 9.883 6.797 1.00 0.00 H new ATOM 931 N GLY A 61 -3.179 5.429 4.848 1.00 0.00 N ATOM 932 CA GLY A 61 -1.810 5.496 5.325 1.00 0.00 C ATOM 933 C GLY A 61 -0.879 6.064 4.278 1.00 0.00 C ATOM 934 O GLY A 61 -0.148 7.018 4.561 1.00 0.00 O ATOM 0 H GLY A 61 -3.560 4.483 4.808 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -1.767 6.113 6.223 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -1.474 4.498 5.608 1.00 0.00 H new ATOM 938 N ILE A 62 -0.930 5.520 3.061 1.00 0.00 N ATOM 939 CA ILE A 62 -0.056 6.013 1.997 1.00 0.00 C ATOM 940 C ILE A 62 -0.426 7.412 1.531 1.00 0.00 C ATOM 941 O ILE A 62 0.464 8.244 1.367 1.00 0.00 O ATOM 942 CB ILE A 62 0.024 4.995 0.861 1.00 0.00 C ATOM 943 CG1 ILE A 62 1.253 5.207 -0.046 1.00 0.00 C ATOM 944 CG2 ILE A 62 -1.241 4.870 -0.003 1.00 0.00 C ATOM 945 CD1 ILE A 62 2.598 4.901 0.626 1.00 0.00 C ATOM 0 H ILE A 62 -1.551 4.757 2.792 1.00 0.00 H new ATOM 0 HA ILE A 62 0.948 6.119 2.408 1.00 0.00 H new ATOM 0 HB ILE A 62 0.127 4.049 1.393 1.00 0.00 H new ATOM 0 HG12 ILE A 62 1.150 4.577 -0.929 1.00 0.00 H new ATOM 0 HG13 ILE A 62 1.260 6.241 -0.391 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -1.079 4.122 -0.779 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -2.081 4.568 0.623 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -1.462 5.832 -0.466 1.00 0.00 H new ATOM 0 HD11 ILE A 62 3.407 5.077 -0.083 1.00 0.00 H new ATOM 0 HD12 ILE A 62 2.728 5.549 1.493 1.00 0.00 H new ATOM 0 HD13 ILE A 62 2.616 3.859 0.946 1.00 0.00 H new ATOM 957 N LEU A 63 -1.720 7.698 1.357 1.00 0.00 N ATOM 958 CA LEU A 63 -2.128 9.028 0.925 1.00 0.00 C ATOM 959 C LEU A 63 -1.742 10.031 2.003 1.00 0.00 C ATOM 960 O LEU A 63 -1.451 11.182 1.694 1.00 0.00 O ATOM 961 CB LEU A 63 -3.643 9.095 0.645 1.00 0.00 C ATOM 962 CG LEU A 63 -4.063 8.854 -0.816 1.00 0.00 C ATOM 963 CD1 LEU A 63 -3.720 10.073 -1.670 1.00 0.00 C ATOM 964 CD2 LEU A 63 -3.441 7.603 -1.446 1.00 0.00 C ATOM 0 H LEU A 63 -2.484 7.039 1.506 1.00 0.00 H new ATOM 0 HA LEU A 63 -1.619 9.267 -0.009 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -4.143 8.358 1.274 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -4.007 10.075 0.952 1.00 0.00 H new ATOM 0 HG LEU A 63 -5.140 8.689 -0.791 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -4.022 9.891 -2.702 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -4.248 10.946 -1.286 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -2.646 10.253 -1.632 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -3.786 7.504 -2.475 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -2.355 7.692 -1.435 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -3.739 6.722 -0.877 1.00 0.00 H new ATOM 976 N ASP A 64 -1.772 9.610 3.271 1.00 0.00 N ATOM 977 CA ASP A 64 -1.427 10.515 4.377 1.00 0.00 C ATOM 978 C ASP A 64 0.074 10.765 4.341 1.00 0.00 C ATOM 979 O ASP A 64 0.521 11.859 4.654 1.00 0.00 O ATOM 980 CB ASP A 64 -1.770 9.970 5.777 1.00 0.00 C ATOM 981 CG ASP A 64 -3.069 10.473 6.421 1.00 0.00 C ATOM 982 OD1 ASP A 64 -3.736 9.693 7.139 1.00 0.00 O ATOM 983 OD2 ASP A 64 -3.371 11.692 6.409 1.00 0.00 O ATOM 0 H ASP A 64 -2.027 8.665 3.557 1.00 0.00 H new ATOM 0 HA ASP A 64 -2.020 11.417 4.228 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -1.822 8.883 5.714 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -0.944 10.212 6.446 1.00 0.00 H new ATOM 988 N HIS A 65 0.859 9.747 3.995 1.00 0.00 N ATOM 989 CA HIS A 65 2.301 9.840 3.929 1.00 0.00 C ATOM 990 C HIS A 65 2.691 10.799 2.817 1.00 0.00 C ATOM 991 O HIS A 65 3.383 11.785 3.089 1.00 0.00 O ATOM 992 CB HIS A 65 2.919 8.451 3.720 1.00 0.00 C ATOM 993 CG HIS A 65 4.401 8.483 3.442 1.00 0.00 C ATOM 994 ND1 HIS A 65 5.335 9.315 4.025 1.00 0.00 N ATOM 995 CD2 HIS A 65 5.027 7.804 2.435 1.00 0.00 C ATOM 996 CE1 HIS A 65 6.502 9.121 3.386 1.00 0.00 C ATOM 997 NE2 HIS A 65 6.381 8.149 2.469 1.00 0.00 N ATOM 0 H HIS A 65 0.498 8.825 3.751 1.00 0.00 H new ATOM 0 HA HIS A 65 2.688 10.228 4.872 1.00 0.00 H new ATOM 0 HB2 HIS A 65 2.738 7.845 4.608 1.00 0.00 H new ATOM 0 HB3 HIS A 65 2.413 7.959 2.889 1.00 0.00 H new ATOM 0 HD2 HIS A 65 4.560 7.124 1.738 1.00 0.00 H new ATOM 0 HE1 HIS A 65 7.410 9.671 3.583 1.00 0.00 H new ATOM 0 HE2 HIS A 65 7.129 7.742 1.908 1.00 0.00 H new ATOM 1005 N ARG A 66 2.233 10.539 1.585 1.00 0.00 N ATOM 1006 CA ARG A 66 2.586 11.407 0.479 1.00 0.00 C ATOM 1007 C ARG A 66 2.011 12.804 0.697 1.00 0.00 C ATOM 1008 O ARG A 66 2.554 13.755 0.146 1.00 0.00 O ATOM 1009 CB ARG A 66 2.278 10.757 -0.884 1.00 0.00 C ATOM 1010 CG ARG A 66 0.830 10.784 -1.408 1.00 0.00 C ATOM 1011 CD ARG A 66 0.466 12.178 -1.929 1.00 0.00 C ATOM 1012 NE ARG A 66 -0.730 12.203 -2.782 1.00 0.00 N ATOM 1013 CZ ARG A 66 -1.347 13.327 -3.163 1.00 0.00 C ATOM 1014 NH1 ARG A 66 -0.862 14.516 -2.811 1.00 0.00 N ATOM 1015 NH2 ARG A 66 -2.460 13.266 -3.876 1.00 0.00 N ATOM 0 H ARG A 66 1.632 9.751 1.343 1.00 0.00 H new ATOM 0 HA ARG A 66 3.667 11.546 0.451 1.00 0.00 H new ATOM 0 HB2 ARG A 66 2.908 11.241 -1.630 1.00 0.00 H new ATOM 0 HB3 ARG A 66 2.590 9.714 -0.831 1.00 0.00 H new ATOM 0 HG2 ARG A 66 0.714 10.051 -2.206 1.00 0.00 H new ATOM 0 HG3 ARG A 66 0.144 10.498 -0.610 1.00 0.00 H new ATOM 0 HD2 ARG A 66 0.308 12.842 -1.079 1.00 0.00 H new ATOM 0 HD3 ARG A 66 1.310 12.576 -2.492 1.00 0.00 H new ATOM 0 HE ARG A 66 -1.111 11.313 -3.102 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -0.014 14.574 -2.247 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -1.338 15.369 -3.105 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -2.850 12.360 -4.137 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -2.928 14.125 -4.165 1.00 0.00 H new ATOM 1029 N GLN A 67 0.924 12.953 1.465 1.00 0.00 N ATOM 1030 CA GLN A 67 0.353 14.264 1.734 1.00 0.00 C ATOM 1031 C GLN A 67 1.200 15.001 2.778 1.00 0.00 C ATOM 1032 O GLN A 67 1.407 16.207 2.659 1.00 0.00 O ATOM 1033 CB GLN A 67 -1.093 14.074 2.205 1.00 0.00 C ATOM 1034 CG GLN A 67 -1.782 15.347 2.686 1.00 0.00 C ATOM 1035 CD GLN A 67 -3.293 15.137 2.697 1.00 0.00 C ATOM 1036 OE1 GLN A 67 -3.829 14.326 3.456 1.00 0.00 O ATOM 1037 NE2 GLN A 67 -4.018 15.822 1.834 1.00 0.00 N ATOM 0 H GLN A 67 0.428 12.179 1.907 1.00 0.00 H new ATOM 0 HA GLN A 67 0.351 14.875 0.832 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -1.674 13.650 1.386 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -1.104 13.344 3.014 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -1.433 15.606 3.686 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -1.525 16.181 2.033 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -3.569 16.491 1.209 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -5.028 15.682 1.792 1.00 0.00 H new ATOM 1046 N LEU A 68 1.683 14.306 3.813 1.00 0.00 N ATOM 1047 CA LEU A 68 2.491 14.903 4.872 1.00 0.00 C ATOM 1048 C LEU A 68 3.959 15.085 4.490 1.00 0.00 C ATOM 1049 O LEU A 68 4.655 15.813 5.206 1.00 0.00 O ATOM 1050 CB LEU A 68 2.384 14.094 6.176 1.00 0.00 C ATOM 1051 CG LEU A 68 1.026 14.185 6.905 1.00 0.00 C ATOM 1052 CD1 LEU A 68 1.170 13.504 8.271 1.00 0.00 C ATOM 1053 CD2 LEU A 68 0.544 15.625 7.114 1.00 0.00 C ATOM 0 H LEU A 68 1.521 13.307 3.937 1.00 0.00 H new ATOM 0 HA LEU A 68 2.078 15.900 5.028 1.00 0.00 H new ATOM 0 HB2 LEU A 68 2.586 13.047 5.951 1.00 0.00 H new ATOM 0 HB3 LEU A 68 3.166 14.431 6.857 1.00 0.00 H new ATOM 0 HG LEU A 68 0.282 13.693 6.278 1.00 0.00 H new ATOM 0 HD11 LEU A 68 0.221 13.556 8.805 1.00 0.00 H new ATOM 0 HD12 LEU A 68 1.450 12.460 8.129 1.00 0.00 H new ATOM 0 HD13 LEU A 68 1.941 14.011 8.851 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -0.415 15.616 7.632 1.00 0.00 H new ATOM 0 HD22 LEU A 68 1.274 16.170 7.712 1.00 0.00 H new ATOM 0 HD23 LEU A 68 0.430 16.114 6.147 1.00 0.00 H new ATOM 1065 N HIS A 69 4.447 14.486 3.405 1.00 0.00 N ATOM 1066 CA HIS A 69 5.822 14.617 2.965 1.00 0.00 C ATOM 1067 C HIS A 69 5.897 15.076 1.510 1.00 0.00 C ATOM 1068 O HIS A 69 4.885 15.397 0.879 1.00 0.00 O ATOM 1069 CB HIS A 69 6.557 13.306 3.264 1.00 0.00 C ATOM 1070 CG HIS A 69 7.406 13.386 4.505 1.00 0.00 C ATOM 1071 ND1 HIS A 69 7.135 14.132 5.635 1.00 0.00 N ATOM 1072 CD2 HIS A 69 8.609 12.762 4.683 1.00 0.00 C ATOM 1073 CE1 HIS A 69 8.156 13.946 6.489 1.00 0.00 C ATOM 1074 NE2 HIS A 69 9.068 13.110 5.959 1.00 0.00 N ATOM 0 H HIS A 69 3.883 13.887 2.802 1.00 0.00 H new ATOM 0 HA HIS A 69 6.334 15.404 3.519 1.00 0.00 H new ATOM 0 HB2 HIS A 69 5.828 12.504 3.378 1.00 0.00 H new ATOM 0 HB3 HIS A 69 7.187 13.045 2.414 1.00 0.00 H new ATOM 0 HD1 HIS A 69 6.313 14.715 5.792 1.00 0.00 H new ATOM 0 HD2 HIS A 69 9.111 12.121 3.973 1.00 0.00 H new ATOM 0 HE1 HIS A 69 8.234 14.403 7.464 1.00 0.00 H new ATOM 1082 N ASP A 70 7.120 15.190 0.996 1.00 0.00 N ATOM 1083 CA ASP A 70 7.409 15.615 -0.358 1.00 0.00 C ATOM 1084 C ASP A 70 8.699 14.986 -0.804 1.00 0.00 C ATOM 1085 O ASP A 70 8.728 14.374 -1.885 1.00 0.00 O ATOM 1086 CB ASP A 70 7.547 17.126 -0.434 1.00 0.00 C ATOM 1087 CG ASP A 70 7.599 17.510 -1.898 1.00 0.00 C ATOM 1088 OD1 ASP A 70 6.529 17.509 -2.538 1.00 0.00 O ATOM 1089 OD2 ASP A 70 8.678 17.893 -2.412 1.00 0.00 O ATOM 0 H ASP A 70 7.960 14.980 1.535 1.00 0.00 H new ATOM 0 HA ASP A 70 6.587 15.305 -1.003 1.00 0.00 H new ATOM 0 HB2 ASP A 70 6.705 17.612 0.059 1.00 0.00 H new ATOM 0 HB3 ASP A 70 8.451 17.454 0.080 1.00 0.00 H new TER 1094 ASP A 70