USER MOD reduce.3.24.130724 H: found=0, std=0, add=572, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 572 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 NoAdj-H: A 53 HIS HD1 : A 53 HIS ND1 : A 89 ZNZN :(H bumps) USER MOD Set 1.1: A 47 MET CE :methyl -160:sc= 0 (180deg=0) USER MOD Set 1.2: A 66 GLN : amide:sc= -0.436 X(o=-0.44,f=-0.11) USER MOD Set 2.1: A 6 THR OG1 : rot 180:sc= 0.555 USER MOD Set 2.2: A 40 ASN : amide:sc= -0.335 K(o=0.22,f=-4.4!) USER MOD Set 3.1: A 5 GLN : amide:sc= 0.778 K(o=1.6,f=-1.1!) USER MOD Set 3.2: A 39 SER OG : rot 110:sc= 0.858 USER MOD Single : A 1 ALA N :NH3+ -130:sc= 2.11 (180deg=0.162) USER MOD Single : A 3 THR OG1 : rot -170:sc= -0.925 USER MOD Single : A 4 LYS NZ :NH3+ -151:sc= 1.54 (180deg=0.832) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 39:sc= 0.0171 USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.159 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 29:sc= 0.178 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 MET CE :methyl 151:sc= -0.426 (180deg=-1.37!) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= 0.0544 K(o=0.054,f=-0.81) USER MOD Single : A 38 ASN : amide:sc= -0.257 K(o=-0.26,f=-1.9!) USER MOD Single : A 49 ASN : amide:sc= -0.0422 X(o=-0.042,f=-0.32) USER MOD Single : A 54 GLN : amide:sc=-0.000732 X(o=-0.00073,f=-0.017) USER MOD Single : A 57 TYR OH : rot 180:sc= -0.628 USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 HIS : no HD1:sc= 0 X(o=0,f=-0.08) USER MOD Single : A 74 GLN : amide:sc= -0.0589 X(o=-0.059,f=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -2.715 -2.568 9.274 1.00 0.00 N ATOM 2 CA ALA A 1 -1.942 -2.657 8.006 1.00 0.00 C ATOM 3 C ALA A 1 -1.661 -1.270 7.434 1.00 0.00 C ATOM 4 O ALA A 1 -2.587 -0.501 7.165 1.00 0.00 O ATOM 5 CB ALA A 1 -2.691 -3.506 6.986 1.00 0.00 C ATOM 0 H1 ALA A 1 -2.251 -3.145 10.004 1.00 0.00 H new ATOM 0 H2 ALA A 1 -2.753 -1.577 9.588 1.00 0.00 H new ATOM 0 H3 ALA A 1 -3.681 -2.919 9.117 1.00 0.00 H new ATOM 0 HA ALA A 1 -0.986 -3.132 8.228 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -2.113 -3.561 6.064 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -2.836 -4.510 7.385 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -3.661 -3.054 6.779 1.00 0.00 H new ATOM 13 N ARG A 2 -0.376 -0.956 7.253 1.00 0.00 N ATOM 14 CA ARG A 2 0.033 0.340 6.716 1.00 0.00 C ATOM 15 C ARG A 2 -0.512 0.550 5.302 1.00 0.00 C ATOM 16 O ARG A 2 -0.263 -0.258 4.405 1.00 0.00 O ATOM 17 CB ARG A 2 1.559 0.450 6.712 1.00 0.00 C ATOM 18 CG ARG A 2 2.150 0.684 8.093 1.00 0.00 C ATOM 19 CD ARG A 2 3.630 1.018 8.019 1.00 0.00 C ATOM 20 NE ARG A 2 4.470 -0.176 8.148 1.00 0.00 N ATOM 21 CZ ARG A 2 5.382 -0.560 7.250 1.00 0.00 C ATOM 22 NH1 ARG A 2 5.583 0.140 6.135 1.00 0.00 N ATOM 23 NH2 ARG A 2 6.102 -1.653 7.471 1.00 0.00 N ATOM 0 H ARG A 2 0.398 -1.583 7.471 1.00 0.00 H new ATOM 0 HA ARG A 2 -0.381 1.118 7.358 1.00 0.00 H new ATOM 0 HB2 ARG A 2 1.981 -0.464 6.294 1.00 0.00 H new ATOM 0 HB3 ARG A 2 1.855 1.267 6.055 1.00 0.00 H new ATOM 0 HG2 ARG A 2 1.617 1.498 8.584 1.00 0.00 H new ATOM 0 HG3 ARG A 2 2.008 -0.206 8.706 1.00 0.00 H new ATOM 0 HD2 ARG A 2 3.843 1.510 7.070 1.00 0.00 H new ATOM 0 HD3 ARG A 2 3.882 1.725 8.809 1.00 0.00 H new ATOM 0 HE ARG A 2 4.350 -0.753 8.980 1.00 0.00 H new ATOM 0 HH11 ARG A 2 5.037 0.983 5.957 1.00 0.00 H new ATOM 0 HH12 ARG A 2 6.283 -0.167 5.460 1.00 0.00 H new ATOM 0 HH21 ARG A 2 5.958 -2.195 8.323 1.00 0.00 H new ATOM 0 HH22 ARG A 2 6.800 -1.951 6.789 1.00 0.00 H new ATOM 37 N THR A 3 -1.266 1.637 5.117 1.00 0.00 N ATOM 38 CA THR A 3 -1.859 1.953 3.819 1.00 0.00 C ATOM 39 C THR A 3 -1.732 3.444 3.494 1.00 0.00 C ATOM 40 O THR A 3 -1.824 4.291 4.385 1.00 0.00 O ATOM 41 CB THR A 3 -3.339 1.546 3.800 1.00 0.00 C ATOM 42 OG1 THR A 3 -3.557 0.380 4.578 1.00 0.00 O ATOM 43 CG2 THR A 3 -3.870 1.273 2.408 1.00 0.00 C ATOM 0 H THR A 3 -1.479 2.312 5.851 1.00 0.00 H new ATOM 0 HA THR A 3 -1.315 1.390 3.060 1.00 0.00 H new ATOM 0 HB THR A 3 -3.872 2.401 4.216 1.00 0.00 H new ATOM 0 HG1 THR A 3 -4.467 0.050 4.425 1.00 0.00 H new ATOM 0 HG21 THR A 3 -4.921 0.991 2.468 1.00 0.00 H new ATOM 0 HG22 THR A 3 -3.770 2.171 1.798 1.00 0.00 H new ATOM 0 HG23 THR A 3 -3.302 0.461 1.955 1.00 0.00 H new ATOM 51 N LYS A 4 -1.538 3.755 2.208 1.00 0.00 N ATOM 52 CA LYS A 4 -1.416 5.141 1.756 1.00 0.00 C ATOM 53 C LYS A 4 -2.507 5.459 0.733 1.00 0.00 C ATOM 54 O LYS A 4 -2.634 4.772 -0.282 1.00 0.00 O ATOM 55 CB LYS A 4 -0.032 5.399 1.149 1.00 0.00 C ATOM 56 CG LYS A 4 0.832 6.339 1.980 1.00 0.00 C ATOM 57 CD LYS A 4 1.375 7.491 1.147 1.00 0.00 C ATOM 58 CE LYS A 4 2.184 8.456 2.001 1.00 0.00 C ATOM 59 NZ LYS A 4 2.426 9.753 1.308 1.00 0.00 N ATOM 0 H LYS A 4 -1.462 3.063 1.462 1.00 0.00 H new ATOM 0 HA LYS A 4 -1.537 5.794 2.620 1.00 0.00 H new ATOM 0 HB2 LYS A 4 0.488 4.448 1.033 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -0.155 5.819 0.151 1.00 0.00 H new ATOM 0 HG2 LYS A 4 0.245 6.735 2.809 1.00 0.00 H new ATOM 0 HG3 LYS A 4 1.662 5.782 2.414 1.00 0.00 H new ATOM 0 HD2 LYS A 4 2.000 7.100 0.345 1.00 0.00 H new ATOM 0 HD3 LYS A 4 0.549 8.023 0.676 1.00 0.00 H new ATOM 0 HE2 LYS A 4 1.657 8.639 2.938 1.00 0.00 H new ATOM 0 HE3 LYS A 4 3.140 7.999 2.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 3.320 10.165 1.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 2.482 9.593 0.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 1.645 10.408 1.514 1.00 0.00 H new ATOM 73 N GLN A 5 -3.298 6.496 1.013 1.00 0.00 N ATOM 74 CA GLN A 5 -4.387 6.897 0.125 1.00 0.00 C ATOM 75 C GLN A 5 -4.067 8.208 -0.588 1.00 0.00 C ATOM 76 O GLN A 5 -3.615 9.171 0.035 1.00 0.00 O ATOM 77 CB GLN A 5 -5.688 7.040 0.923 1.00 0.00 C ATOM 78 CG GLN A 5 -6.918 7.315 0.067 1.00 0.00 C ATOM 79 CD GLN A 5 -7.839 8.362 0.674 1.00 0.00 C ATOM 80 OE1 GLN A 5 -7.711 8.717 1.847 1.00 0.00 O ATOM 81 NE2 GLN A 5 -8.778 8.861 -0.121 1.00 0.00 N ATOM 0 H GLN A 5 -3.204 7.073 1.849 1.00 0.00 H new ATOM 0 HA GLN A 5 -4.509 6.122 -0.631 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -5.853 6.126 1.494 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -5.572 7.850 1.644 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -6.600 7.647 -0.921 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -7.473 6.387 -0.072 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -8.851 8.541 -1.087 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -9.426 9.564 0.234 1.00 0.00 H new ATOM 90 N THR A 6 -4.310 8.237 -1.898 1.00 0.00 N ATOM 91 CA THR A 6 -4.054 9.427 -2.703 1.00 0.00 C ATOM 92 C THR A 6 -5.124 9.595 -3.783 1.00 0.00 C ATOM 93 O THR A 6 -5.520 8.625 -4.429 1.00 0.00 O ATOM 94 CB THR A 6 -2.665 9.355 -3.351 1.00 0.00 C ATOM 95 OG1 THR A 6 -2.651 8.418 -4.414 1.00 0.00 O ATOM 96 CG2 THR A 6 -1.566 8.966 -2.381 1.00 0.00 C ATOM 0 H THR A 6 -4.685 7.447 -2.424 1.00 0.00 H new ATOM 0 HA THR A 6 -4.089 10.292 -2.040 1.00 0.00 H new ATOM 0 HB THR A 6 -2.467 10.364 -3.712 1.00 0.00 H new ATOM 0 HG1 THR A 6 -1.757 8.390 -4.813 1.00 0.00 H new ATOM 0 HG21 THR A 6 -0.611 8.934 -2.906 1.00 0.00 H new ATOM 0 HG22 THR A 6 -1.514 9.700 -1.577 1.00 0.00 H new ATOM 0 HG23 THR A 6 -1.782 7.983 -1.962 1.00 0.00 H new ATOM 104 N ALA A 7 -5.581 10.832 -3.977 1.00 0.00 N ATOM 105 CA ALA A 7 -6.598 11.126 -4.984 1.00 0.00 C ATOM 106 C ALA A 7 -5.993 11.857 -6.181 1.00 0.00 C ATOM 107 O ALA A 7 -4.949 12.501 -6.067 1.00 0.00 O ATOM 108 CB ALA A 7 -7.729 11.943 -4.375 1.00 0.00 C ATOM 0 H ALA A 7 -5.263 11.645 -3.450 1.00 0.00 H new ATOM 0 HA ALA A 7 -7.004 10.179 -5.340 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -8.478 12.153 -5.139 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -8.188 11.380 -3.562 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -7.332 12.881 -3.988 1.00 0.00 H new ATOM 114 N ARG A 8 -6.657 11.753 -7.334 1.00 0.00 N ATOM 115 CA ARG A 8 -6.188 12.400 -8.557 1.00 0.00 C ATOM 116 C ARG A 8 -7.329 13.135 -9.258 1.00 0.00 C ATOM 117 O ARG A 8 -8.403 12.571 -9.472 1.00 0.00 O ATOM 118 CB ARG A 8 -5.563 11.367 -9.499 1.00 0.00 C ATOM 119 CG ARG A 8 -4.043 11.327 -9.437 1.00 0.00 C ATOM 120 CD ARG A 8 -3.542 10.066 -8.746 1.00 0.00 C ATOM 121 NE ARG A 8 -2.085 9.933 -8.830 1.00 0.00 N ATOM 122 CZ ARG A 8 -1.424 8.787 -8.637 1.00 0.00 C ATOM 123 NH1 ARG A 8 -2.078 7.671 -8.324 1.00 0.00 N ATOM 124 NH2 ARG A 8 -0.100 8.760 -8.750 1.00 0.00 N ATOM 0 H ARG A 8 -7.523 11.225 -7.444 1.00 0.00 H new ATOM 0 HA ARG A 8 -5.428 13.133 -8.284 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -5.954 10.380 -9.253 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -5.871 11.587 -10.521 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -3.636 11.375 -10.447 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -3.677 12.204 -8.904 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -3.844 10.083 -7.699 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -4.012 9.193 -9.200 1.00 0.00 H new ATOM 0 HE ARG A 8 -1.541 10.767 -9.050 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -3.093 7.685 -8.229 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -1.564 6.802 -8.179 1.00 0.00 H new ATOM 0 HH21 ARG A 8 0.409 9.612 -8.983 1.00 0.00 H new ATOM 0 HH22 ARG A 8 0.407 7.887 -8.603 1.00 0.00 H new ATOM 138 N LYS A 9 -7.089 14.400 -9.609 1.00 0.00 N ATOM 139 CA LYS A 9 -8.098 15.219 -10.282 1.00 0.00 C ATOM 140 C LYS A 9 -8.357 14.726 -11.706 1.00 0.00 C ATOM 141 O LYS A 9 -7.519 14.047 -12.301 1.00 0.00 O ATOM 142 CB LYS A 9 -7.664 16.689 -10.311 1.00 0.00 C ATOM 143 CG LYS A 9 -8.031 17.460 -9.052 1.00 0.00 C ATOM 144 CD LYS A 9 -9.199 18.407 -9.293 1.00 0.00 C ATOM 145 CE LYS A 9 -10.533 17.673 -9.248 1.00 0.00 C ATOM 146 NZ LYS A 9 -11.264 17.912 -7.969 1.00 0.00 N ATOM 0 H LYS A 9 -6.205 14.879 -9.438 1.00 0.00 H new ATOM 0 HA LYS A 9 -9.025 15.130 -9.716 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -6.585 16.737 -10.454 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -8.122 17.177 -11.172 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -8.288 16.759 -8.258 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -7.167 18.028 -8.708 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -9.191 19.195 -8.540 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -9.082 18.891 -10.262 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -11.152 17.996 -10.085 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -10.362 16.604 -9.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -12.166 17.394 -7.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -10.685 17.580 -7.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -11.451 18.929 -7.861 1.00 0.00 H new ATOM 160 N SER A 10 -9.526 15.076 -12.245 1.00 0.00 N ATOM 161 CA SER A 10 -9.902 14.674 -13.598 1.00 0.00 C ATOM 162 C SER A 10 -9.338 15.644 -14.638 1.00 0.00 C ATOM 163 O SER A 10 -9.487 16.859 -14.509 1.00 0.00 O ATOM 164 CB SER A 10 -11.426 14.598 -13.725 1.00 0.00 C ATOM 165 OG SER A 10 -12.049 15.726 -13.128 1.00 0.00 O ATOM 0 H SER A 10 -10.228 15.638 -11.763 1.00 0.00 H new ATOM 0 HA SER A 10 -9.478 13.687 -13.786 1.00 0.00 H new ATOM 0 HB2 SER A 10 -11.703 14.541 -14.778 1.00 0.00 H new ATOM 0 HB3 SER A 10 -11.788 13.686 -13.250 1.00 0.00 H new ATOM 0 HG SER A 10 -11.515 16.528 -13.308 1.00 0.00 H new ATOM 171 N THR A 11 -8.695 15.089 -15.671 1.00 0.00 N ATOM 172 CA THR A 11 -8.103 15.890 -16.750 1.00 0.00 C ATOM 173 C THR A 11 -6.980 16.790 -16.216 1.00 0.00 C ATOM 174 O THR A 11 -6.674 16.773 -15.022 1.00 0.00 O ATOM 175 CB THR A 11 -9.181 16.742 -17.449 1.00 0.00 C ATOM 176 OG1 THR A 11 -10.471 16.169 -17.295 1.00 0.00 O ATOM 177 CG2 THR A 11 -8.938 16.921 -18.933 1.00 0.00 C ATOM 0 H THR A 11 -8.571 14.083 -15.783 1.00 0.00 H new ATOM 0 HA THR A 11 -7.674 15.203 -17.479 1.00 0.00 H new ATOM 0 HB THR A 11 -9.124 17.716 -16.963 1.00 0.00 H new ATOM 0 HG1 THR A 11 -11.135 16.731 -17.747 1.00 0.00 H new ATOM 0 HG21 THR A 11 -9.734 17.530 -19.361 1.00 0.00 H new ATOM 0 HG22 THR A 11 -7.979 17.416 -19.088 1.00 0.00 H new ATOM 0 HG23 THR A 11 -8.926 15.946 -19.420 1.00 0.00 H new ATOM 185 N GLY A 12 -6.370 17.577 -17.108 1.00 0.00 N ATOM 186 CA GLY A 12 -5.293 18.473 -16.708 1.00 0.00 C ATOM 187 C GLY A 12 -3.918 17.969 -17.115 1.00 0.00 C ATOM 188 O GLY A 12 -3.796 17.150 -18.027 1.00 0.00 O ATOM 0 H GLY A 12 -6.604 17.609 -18.100 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -5.460 19.454 -17.152 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -5.320 18.604 -15.626 1.00 0.00 H new ATOM 192 N GLY A 13 -2.882 18.466 -16.435 1.00 0.00 N ATOM 193 CA GLY A 13 -1.521 18.055 -16.739 1.00 0.00 C ATOM 194 C GLY A 13 -0.630 19.223 -17.126 1.00 0.00 C ATOM 195 O GLY A 13 -1.048 20.104 -17.879 1.00 0.00 O ATOM 0 H GLY A 13 -2.964 19.146 -15.679 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -1.096 17.550 -15.872 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -1.538 17.330 -17.553 1.00 0.00 H new ATOM 199 N SER A 14 0.603 19.224 -16.609 1.00 0.00 N ATOM 200 CA SER A 14 1.572 20.285 -16.895 1.00 0.00 C ATOM 201 C SER A 14 1.078 21.635 -16.378 1.00 0.00 C ATOM 202 O SER A 14 0.399 22.377 -17.092 1.00 0.00 O ATOM 203 CB SER A 14 1.853 20.364 -18.400 1.00 0.00 C ATOM 204 OG SER A 14 2.958 19.554 -18.757 1.00 0.00 O ATOM 0 H SER A 14 0.954 18.496 -15.986 1.00 0.00 H new ATOM 0 HA SER A 14 2.499 20.041 -16.377 1.00 0.00 H new ATOM 0 HB2 SER A 14 0.971 20.045 -18.955 1.00 0.00 H new ATOM 0 HB3 SER A 14 2.050 21.398 -18.682 1.00 0.00 H new ATOM 0 HG SER A 14 3.115 19.621 -19.722 1.00 0.00 H new ATOM 210 N SER A 15 1.422 21.948 -15.129 1.00 0.00 N ATOM 211 CA SER A 15 1.013 23.206 -14.513 1.00 0.00 C ATOM 212 C SER A 15 2.174 24.201 -14.467 1.00 0.00 C ATOM 213 O SER A 15 2.128 25.251 -15.111 1.00 0.00 O ATOM 214 CB SER A 15 0.480 22.958 -13.100 1.00 0.00 C ATOM 215 OG SER A 15 -0.656 23.762 -12.834 1.00 0.00 O ATOM 0 H SER A 15 1.983 21.347 -14.526 1.00 0.00 H new ATOM 0 HA SER A 15 0.219 23.636 -15.124 1.00 0.00 H new ATOM 0 HB2 SER A 15 0.219 21.906 -12.986 1.00 0.00 H new ATOM 0 HB3 SER A 15 1.261 23.174 -12.371 1.00 0.00 H new ATOM 0 HG SER A 15 -0.978 23.583 -11.926 1.00 0.00 H new ATOM 221 N GLY A 16 3.212 23.862 -13.700 1.00 0.00 N ATOM 222 CA GLY A 16 4.371 24.728 -13.577 1.00 0.00 C ATOM 223 C GLY A 16 5.626 23.959 -13.204 1.00 0.00 C ATOM 224 O GLY A 16 6.409 23.582 -14.075 1.00 0.00 O ATOM 0 H GLY A 16 3.268 22.998 -13.160 1.00 0.00 H new ATOM 0 HA2 GLY A 16 4.534 25.250 -14.520 1.00 0.00 H new ATOM 0 HA3 GLY A 16 4.175 25.489 -12.821 1.00 0.00 H new ATOM 228 N SER A 17 5.810 23.722 -11.906 1.00 0.00 N ATOM 229 CA SER A 17 6.975 22.987 -11.415 1.00 0.00 C ATOM 230 C SER A 17 6.652 22.236 -10.122 1.00 0.00 C ATOM 231 O SER A 17 7.495 22.121 -9.229 1.00 0.00 O ATOM 232 CB SER A 17 8.147 23.947 -11.189 1.00 0.00 C ATOM 233 OG SER A 17 8.910 24.111 -12.372 1.00 0.00 O ATOM 0 H SER A 17 5.167 24.028 -11.175 1.00 0.00 H new ATOM 0 HA SER A 17 7.254 22.253 -12.171 1.00 0.00 H new ATOM 0 HB2 SER A 17 7.769 24.915 -10.859 1.00 0.00 H new ATOM 0 HB3 SER A 17 8.785 23.565 -10.392 1.00 0.00 H new ATOM 0 HG SER A 17 8.332 23.988 -13.154 1.00 0.00 H new ATOM 239 N SER A 18 5.425 21.721 -10.026 1.00 0.00 N ATOM 240 CA SER A 18 4.994 20.980 -8.844 1.00 0.00 C ATOM 241 C SER A 18 4.414 19.622 -9.237 1.00 0.00 C ATOM 242 O SER A 18 3.254 19.524 -9.639 1.00 0.00 O ATOM 243 CB SER A 18 3.960 21.791 -8.058 1.00 0.00 C ATOM 244 OG SER A 18 4.107 21.587 -6.663 1.00 0.00 O ATOM 0 H SER A 18 4.714 21.804 -10.753 1.00 0.00 H new ATOM 0 HA SER A 18 5.864 20.810 -8.210 1.00 0.00 H new ATOM 0 HB2 SER A 18 4.073 22.851 -8.288 1.00 0.00 H new ATOM 0 HB3 SER A 18 2.955 21.503 -8.367 1.00 0.00 H new ATOM 0 HG SER A 18 3.437 22.117 -6.183 1.00 0.00 H new ATOM 250 N GLN A 19 5.234 18.579 -9.116 1.00 0.00 N ATOM 251 CA GLN A 19 4.810 17.221 -9.455 1.00 0.00 C ATOM 252 C GLN A 19 4.351 16.459 -8.210 1.00 0.00 C ATOM 253 O GLN A 19 3.488 15.585 -8.295 1.00 0.00 O ATOM 254 CB GLN A 19 5.953 16.461 -10.138 1.00 0.00 C ATOM 255 CG GLN A 19 5.904 16.517 -11.656 1.00 0.00 C ATOM 256 CD GLN A 19 7.231 16.152 -12.293 1.00 0.00 C ATOM 257 OE1 GLN A 19 8.051 17.021 -12.587 1.00 0.00 O ATOM 258 NE2 GLN A 19 7.448 14.859 -12.509 1.00 0.00 N ATOM 0 H GLN A 19 6.196 18.648 -8.786 1.00 0.00 H new ATOM 0 HA GLN A 19 3.967 17.296 -10.142 1.00 0.00 H new ATOM 0 HB2 GLN A 19 6.904 16.872 -9.799 1.00 0.00 H new ATOM 0 HB3 GLN A 19 5.925 15.419 -9.821 1.00 0.00 H new ATOM 0 HG2 GLN A 19 5.132 15.837 -12.017 1.00 0.00 H new ATOM 0 HG3 GLN A 19 5.617 17.521 -11.970 1.00 0.00 H new ATOM 0 HE21 GLN A 19 6.740 14.173 -12.249 1.00 0.00 H new ATOM 0 HE22 GLN A 19 8.323 14.553 -12.935 1.00 0.00 H new ATOM 267 N SER A 20 4.941 16.792 -7.057 1.00 0.00 N ATOM 268 CA SER A 20 4.604 16.138 -5.792 1.00 0.00 C ATOM 269 C SER A 20 4.902 14.636 -5.844 1.00 0.00 C ATOM 270 O SER A 20 4.179 13.830 -5.255 1.00 0.00 O ATOM 271 CB SER A 20 3.129 16.375 -5.439 1.00 0.00 C ATOM 272 OG SER A 20 2.978 16.636 -4.053 1.00 0.00 O ATOM 0 H SER A 20 5.657 17.514 -6.976 1.00 0.00 H new ATOM 0 HA SER A 20 5.228 16.579 -5.014 1.00 0.00 H new ATOM 0 HB2 SER A 20 2.743 17.215 -6.016 1.00 0.00 H new ATOM 0 HB3 SER A 20 2.539 15.501 -5.715 1.00 0.00 H new ATOM 0 HG SER A 20 2.031 16.786 -3.850 1.00 0.00 H new ATOM 278 N LEU A 21 5.975 14.267 -6.543 1.00 0.00 N ATOM 279 CA LEU A 21 6.370 12.864 -6.661 1.00 0.00 C ATOM 280 C LEU A 21 7.022 12.368 -5.369 1.00 0.00 C ATOM 281 O LEU A 21 6.888 11.198 -5.009 1.00 0.00 O ATOM 282 CB LEU A 21 7.337 12.676 -7.837 1.00 0.00 C ATOM 283 CG LEU A 21 6.740 12.008 -9.079 1.00 0.00 C ATOM 284 CD1 LEU A 21 7.737 12.045 -10.228 1.00 0.00 C ATOM 285 CD2 LEU A 21 6.326 10.573 -8.778 1.00 0.00 C ATOM 0 H LEU A 21 6.585 14.919 -7.035 1.00 0.00 H new ATOM 0 HA LEU A 21 5.470 12.277 -6.843 1.00 0.00 H new ATOM 0 HB2 LEU A 21 7.728 13.652 -8.123 1.00 0.00 H new ATOM 0 HB3 LEU A 21 8.184 12.080 -7.497 1.00 0.00 H new ATOM 0 HG LEU A 21 5.849 12.563 -9.371 1.00 0.00 H new ATOM 0 HD11 LEU A 21 7.300 11.567 -11.105 1.00 0.00 H new ATOM 0 HD12 LEU A 21 7.982 13.081 -10.464 1.00 0.00 H new ATOM 0 HD13 LEU A 21 8.644 11.514 -9.940 1.00 0.00 H new ATOM 0 HD21 LEU A 21 5.905 10.120 -9.676 1.00 0.00 H new ATOM 0 HD22 LEU A 21 7.198 10.002 -8.458 1.00 0.00 H new ATOM 0 HD23 LEU A 21 5.579 10.569 -7.985 1.00 0.00 H new ATOM 297 N ILE A 22 7.729 13.265 -4.676 1.00 0.00 N ATOM 298 CA ILE A 22 8.403 12.917 -3.427 1.00 0.00 C ATOM 299 C ILE A 22 7.506 13.178 -2.215 1.00 0.00 C ATOM 300 O ILE A 22 7.266 14.325 -1.833 1.00 0.00 O ATOM 301 CB ILE A 22 9.745 13.678 -3.271 1.00 0.00 C ATOM 302 CG1 ILE A 22 10.490 13.216 -2.013 1.00 0.00 C ATOM 303 CG2 ILE A 22 9.521 15.186 -3.240 1.00 0.00 C ATOM 304 CD1 ILE A 22 11.862 12.643 -2.301 1.00 0.00 C ATOM 0 H ILE A 22 7.848 14.237 -4.961 1.00 0.00 H new ATOM 0 HA ILE A 22 8.619 11.850 -3.472 1.00 0.00 H new ATOM 0 HB ILE A 22 10.362 13.447 -4.139 1.00 0.00 H new ATOM 0 HG12 ILE A 22 10.593 14.060 -1.331 1.00 0.00 H new ATOM 0 HG13 ILE A 22 9.891 12.463 -1.501 1.00 0.00 H new ATOM 0 HG21 ILE A 22 10.479 15.694 -3.130 1.00 0.00 H new ATOM 0 HG22 ILE A 22 9.047 15.503 -4.169 1.00 0.00 H new ATOM 0 HG23 ILE A 22 8.876 15.441 -2.399 1.00 0.00 H new ATOM 0 HD11 ILE A 22 12.332 12.337 -1.366 1.00 0.00 H new ATOM 0 HD12 ILE A 22 11.765 11.779 -2.959 1.00 0.00 H new ATOM 0 HD13 ILE A 22 12.478 13.400 -2.786 1.00 0.00 H new ATOM 316 N ASP A 23 7.011 12.092 -1.620 1.00 0.00 N ATOM 317 CA ASP A 23 6.137 12.169 -0.446 1.00 0.00 C ATOM 318 C ASP A 23 6.114 10.829 0.309 1.00 0.00 C ATOM 319 O ASP A 23 5.131 10.494 0.973 1.00 0.00 O ATOM 320 CB ASP A 23 4.717 12.576 -0.880 1.00 0.00 C ATOM 321 CG ASP A 23 3.786 12.849 0.291 1.00 0.00 C ATOM 322 OD1 ASP A 23 4.197 13.564 1.228 1.00 0.00 O ATOM 323 OD2 ASP A 23 2.641 12.350 0.266 1.00 0.00 O ATOM 0 H ASP A 23 7.202 11.141 -1.934 1.00 0.00 H new ATOM 0 HA ASP A 23 6.528 12.926 0.234 1.00 0.00 H new ATOM 0 HB2 ASP A 23 4.777 13.468 -1.504 1.00 0.00 H new ATOM 0 HB3 ASP A 23 4.292 11.784 -1.496 1.00 0.00 H new ATOM 328 N GLU A 24 7.212 10.068 0.206 1.00 0.00 N ATOM 329 CA GLU A 24 7.332 8.768 0.874 1.00 0.00 C ATOM 330 C GLU A 24 6.241 7.788 0.427 1.00 0.00 C ATOM 331 O GLU A 24 5.924 6.837 1.142 1.00 0.00 O ATOM 332 CB GLU A 24 7.298 8.945 2.396 1.00 0.00 C ATOM 333 CG GLU A 24 8.404 9.850 2.924 1.00 0.00 C ATOM 334 CD GLU A 24 9.750 9.151 3.028 1.00 0.00 C ATOM 335 OE1 GLU A 24 10.032 8.264 2.193 1.00 0.00 O ATOM 336 OE2 GLU A 24 10.524 9.492 3.946 1.00 0.00 O ATOM 0 H GLU A 24 8.033 10.334 -0.337 1.00 0.00 H new ATOM 0 HA GLU A 24 8.292 8.341 0.584 1.00 0.00 H new ATOM 0 HB2 GLU A 24 6.332 9.358 2.685 1.00 0.00 H new ATOM 0 HB3 GLU A 24 7.381 7.967 2.870 1.00 0.00 H new ATOM 0 HG2 GLU A 24 8.501 10.715 2.268 1.00 0.00 H new ATOM 0 HG3 GLU A 24 8.120 10.225 3.907 1.00 0.00 H new ATOM 343 N ASP A 25 5.672 8.016 -0.759 1.00 0.00 N ATOM 344 CA ASP A 25 4.622 7.145 -1.290 1.00 0.00 C ATOM 345 C ASP A 25 5.171 5.760 -1.645 1.00 0.00 C ATOM 346 O ASP A 25 6.383 5.538 -1.638 1.00 0.00 O ATOM 347 CB ASP A 25 3.992 7.774 -2.538 1.00 0.00 C ATOM 348 CG ASP A 25 3.366 9.134 -2.281 1.00 0.00 C ATOM 349 OD1 ASP A 25 3.558 9.684 -1.180 1.00 0.00 O ATOM 350 OD2 ASP A 25 2.687 9.651 -3.187 1.00 0.00 O ATOM 0 H ASP A 25 5.920 8.795 -1.369 1.00 0.00 H new ATOM 0 HA ASP A 25 3.866 7.030 -0.513 1.00 0.00 H new ATOM 0 HB2 ASP A 25 4.755 7.874 -3.309 1.00 0.00 H new ATOM 0 HB3 ASP A 25 3.230 7.100 -2.929 1.00 0.00 H new ATOM 355 N ALA A 26 4.262 4.840 -1.976 1.00 0.00 N ATOM 356 CA ALA A 26 4.636 3.477 -2.360 1.00 0.00 C ATOM 357 C ALA A 26 4.435 3.268 -3.864 1.00 0.00 C ATOM 358 O ALA A 26 3.942 4.158 -4.559 1.00 0.00 O ATOM 359 CB ALA A 26 3.827 2.456 -1.570 1.00 0.00 C ATOM 0 H ALA A 26 3.257 5.016 -1.986 1.00 0.00 H new ATOM 0 HA ALA A 26 5.692 3.334 -2.129 1.00 0.00 H new ATOM 0 HB1 ALA A 26 4.119 1.450 -1.870 1.00 0.00 H new ATOM 0 HB2 ALA A 26 4.017 2.587 -0.505 1.00 0.00 H new ATOM 0 HB3 ALA A 26 2.765 2.600 -1.770 1.00 0.00 H new ATOM 365 N VAL A 27 4.816 2.089 -4.362 1.00 0.00 N ATOM 366 CA VAL A 27 4.672 1.775 -5.784 1.00 0.00 C ATOM 367 C VAL A 27 4.022 0.406 -5.985 1.00 0.00 C ATOM 368 O VAL A 27 4.613 -0.626 -5.660 1.00 0.00 O ATOM 369 CB VAL A 27 6.035 1.807 -6.515 1.00 0.00 C ATOM 370 CG1 VAL A 27 6.485 3.244 -6.751 1.00 0.00 C ATOM 371 CG2 VAL A 27 7.090 1.031 -5.734 1.00 0.00 C ATOM 0 H VAL A 27 5.225 1.340 -3.804 1.00 0.00 H new ATOM 0 HA VAL A 27 4.027 2.543 -6.212 1.00 0.00 H new ATOM 0 HB VAL A 27 5.911 1.324 -7.484 1.00 0.00 H new ATOM 0 HG11 VAL A 27 7.446 3.245 -7.266 1.00 0.00 H new ATOM 0 HG12 VAL A 27 5.745 3.761 -7.362 1.00 0.00 H new ATOM 0 HG13 VAL A 27 6.586 3.755 -5.794 1.00 0.00 H new ATOM 0 HG21 VAL A 27 8.039 1.068 -6.269 1.00 0.00 H new ATOM 0 HG22 VAL A 27 7.212 1.476 -4.746 1.00 0.00 H new ATOM 0 HG23 VAL A 27 6.774 -0.007 -5.628 1.00 0.00 H new ATOM 381 N CYS A 28 2.797 0.404 -6.510 1.00 0.00 N ATOM 382 CA CYS A 28 2.060 -0.837 -6.739 1.00 0.00 C ATOM 383 C CYS A 28 2.715 -1.693 -7.825 1.00 0.00 C ATOM 384 O CYS A 28 3.374 -1.176 -8.728 1.00 0.00 O ATOM 385 CB CYS A 28 0.610 -0.535 -7.110 1.00 0.00 C ATOM 386 SG CYS A 28 -0.348 -2.004 -7.598 1.00 0.00 S ATOM 0 H CYS A 28 2.295 1.248 -6.785 1.00 0.00 H new ATOM 0 HA CYS A 28 2.080 -1.406 -5.810 1.00 0.00 H new ATOM 0 HB2 CYS A 28 0.120 -0.059 -6.261 1.00 0.00 H new ATOM 0 HB3 CYS A 28 0.597 0.184 -7.929 1.00 0.00 H new ATOM 391 N SER A 29 2.523 -3.009 -7.720 1.00 0.00 N ATOM 392 CA SER A 29 3.089 -3.957 -8.679 1.00 0.00 C ATOM 393 C SER A 29 2.017 -4.547 -9.602 1.00 0.00 C ATOM 394 O SER A 29 2.313 -4.905 -10.745 1.00 0.00 O ATOM 395 CB SER A 29 3.811 -5.086 -7.940 1.00 0.00 C ATOM 396 OG SER A 29 5.162 -4.747 -7.677 1.00 0.00 O ATOM 0 H SER A 29 1.977 -3.443 -6.976 1.00 0.00 H new ATOM 0 HA SER A 29 3.799 -3.409 -9.299 1.00 0.00 H new ATOM 0 HB2 SER A 29 3.297 -5.297 -7.002 1.00 0.00 H new ATOM 0 HB3 SER A 29 3.772 -5.997 -8.536 1.00 0.00 H new ATOM 0 HG SER A 29 5.598 -5.485 -7.203 1.00 0.00 H new ATOM 402 N ILE A 30 0.776 -4.651 -9.114 1.00 0.00 N ATOM 403 CA ILE A 30 -0.315 -5.199 -9.916 1.00 0.00 C ATOM 404 C ILE A 30 -0.675 -4.264 -11.068 1.00 0.00 C ATOM 405 O ILE A 30 -1.100 -4.713 -12.133 1.00 0.00 O ATOM 406 CB ILE A 30 -1.576 -5.458 -9.054 1.00 0.00 C ATOM 407 CG1 ILE A 30 -1.396 -6.721 -8.207 1.00 0.00 C ATOM 408 CG2 ILE A 30 -2.821 -5.574 -9.930 1.00 0.00 C ATOM 409 CD1 ILE A 30 -1.011 -6.439 -6.770 1.00 0.00 C ATOM 0 H ILE A 30 0.506 -4.364 -8.173 1.00 0.00 H new ATOM 0 HA ILE A 30 0.035 -6.148 -10.322 1.00 0.00 H new ATOM 0 HB ILE A 30 -1.710 -4.608 -8.385 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -2.324 -7.292 -8.220 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -0.630 -7.348 -8.663 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -3.693 -5.756 -9.301 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -2.962 -4.647 -10.487 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -2.699 -6.402 -10.628 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -0.901 -7.380 -6.231 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -0.067 -5.895 -6.746 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -1.788 -5.839 -6.296 1.00 0.00 H new ATOM 421 N CYS A 31 -0.518 -2.961 -10.842 1.00 0.00 N ATOM 422 CA CYS A 31 -0.844 -1.965 -11.851 1.00 0.00 C ATOM 423 C CYS A 31 0.260 -0.913 -11.973 1.00 0.00 C ATOM 424 O CYS A 31 0.930 -0.584 -10.992 1.00 0.00 O ATOM 425 CB CYS A 31 -2.182 -1.309 -11.499 1.00 0.00 C ATOM 426 SG CYS A 31 -2.067 0.016 -10.251 1.00 0.00 S ATOM 0 H CYS A 31 -0.166 -2.574 -9.966 1.00 0.00 H new ATOM 0 HA CYS A 31 -0.926 -2.460 -12.819 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -2.621 -0.898 -12.408 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -2.864 -2.077 -11.134 1.00 0.00 H new ATOM 431 N MET A 32 0.438 -0.391 -13.187 1.00 0.00 N ATOM 432 CA MET A 32 1.457 0.626 -13.452 1.00 0.00 C ATOM 433 C MET A 32 0.825 2.021 -13.494 1.00 0.00 C ATOM 434 O MET A 32 1.142 2.832 -14.366 1.00 0.00 O ATOM 435 CB MET A 32 2.174 0.324 -14.774 1.00 0.00 C ATOM 436 CG MET A 32 3.691 0.397 -14.679 1.00 0.00 C ATOM 437 SD MET A 32 4.454 0.986 -16.205 1.00 0.00 S ATOM 438 CE MET A 32 3.720 2.614 -16.348 1.00 0.00 C ATOM 0 H MET A 32 -0.112 -0.656 -14.004 1.00 0.00 H new ATOM 0 HA MET A 32 2.188 0.604 -12.644 1.00 0.00 H new ATOM 0 HB2 MET A 32 1.888 -0.672 -15.113 1.00 0.00 H new ATOM 0 HB3 MET A 32 1.832 1.029 -15.532 1.00 0.00 H new ATOM 0 HG2 MET A 32 3.969 1.059 -13.859 1.00 0.00 H new ATOM 0 HG3 MET A 32 4.084 -0.591 -14.438 1.00 0.00 H new ATOM 0 HE1 MET A 32 4.406 3.278 -16.874 1.00 0.00 H new ATOM 0 HE2 MET A 32 2.785 2.544 -16.904 1.00 0.00 H new ATOM 0 HE3 MET A 32 3.522 3.012 -15.353 1.00 0.00 H new ATOM 448 N ASP A 33 -0.077 2.285 -12.543 1.00 0.00 N ATOM 449 CA ASP A 33 -0.773 3.570 -12.459 1.00 0.00 C ATOM 450 C ASP A 33 -1.524 3.884 -13.758 1.00 0.00 C ATOM 451 O ASP A 33 -1.683 5.048 -14.128 1.00 0.00 O ATOM 452 CB ASP A 33 0.211 4.698 -12.128 1.00 0.00 C ATOM 453 CG ASP A 33 0.199 5.057 -10.654 1.00 0.00 C ATOM 454 OD1 ASP A 33 0.972 4.445 -9.889 1.00 0.00 O ATOM 455 OD2 ASP A 33 -0.584 5.948 -10.264 1.00 0.00 O ATOM 0 H ASP A 33 -0.342 1.620 -11.817 1.00 0.00 H new ATOM 0 HA ASP A 33 -1.505 3.497 -11.655 1.00 0.00 H new ATOM 0 HB2 ASP A 33 1.217 4.396 -12.418 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -0.039 5.580 -12.717 1.00 0.00 H new ATOM 460 N GLY A 34 -1.998 2.837 -14.437 1.00 0.00 N ATOM 461 CA GLY A 34 -2.735 3.023 -15.675 1.00 0.00 C ATOM 462 C GLY A 34 -4.227 2.808 -15.493 1.00 0.00 C ATOM 463 O GLY A 34 -4.895 2.278 -16.382 1.00 0.00 O ATOM 0 H GLY A 34 -1.883 1.865 -14.150 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -2.558 4.030 -16.053 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -2.359 2.330 -16.427 1.00 0.00 H new ATOM 467 N GLU A 35 -4.750 3.224 -14.336 1.00 0.00 N ATOM 468 CA GLU A 35 -6.172 3.079 -14.033 1.00 0.00 C ATOM 469 C GLU A 35 -6.902 4.410 -14.207 1.00 0.00 C ATOM 470 O GLU A 35 -6.297 5.413 -14.590 1.00 0.00 O ATOM 471 CB GLU A 35 -6.367 2.563 -12.599 1.00 0.00 C ATOM 472 CG GLU A 35 -5.454 1.401 -12.228 1.00 0.00 C ATOM 473 CD GLU A 35 -5.595 0.220 -13.169 1.00 0.00 C ATOM 474 OE1 GLU A 35 -6.683 -0.395 -13.194 1.00 0.00 O ATOM 475 OE2 GLU A 35 -4.616 -0.091 -13.881 1.00 0.00 O ATOM 0 H GLU A 35 -4.206 3.665 -13.594 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.592 2.355 -14.731 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -6.195 3.383 -11.902 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -7.404 2.251 -12.474 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -4.419 1.742 -12.233 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -5.679 1.079 -11.211 1.00 0.00 H new ATOM 482 N SER A 36 -8.205 4.414 -13.922 1.00 0.00 N ATOM 483 CA SER A 36 -9.019 5.625 -14.044 1.00 0.00 C ATOM 484 C SER A 36 -9.834 5.870 -12.769 1.00 0.00 C ATOM 485 O SER A 36 -10.975 6.331 -12.830 1.00 0.00 O ATOM 486 CB SER A 36 -9.956 5.517 -15.253 1.00 0.00 C ATOM 487 OG SER A 36 -9.325 4.853 -16.337 1.00 0.00 O ATOM 0 H SER A 36 -8.720 3.592 -13.605 1.00 0.00 H new ATOM 0 HA SER A 36 -8.346 6.470 -14.189 1.00 0.00 H new ATOM 0 HB2 SER A 36 -10.859 4.977 -14.969 1.00 0.00 H new ATOM 0 HB3 SER A 36 -10.266 6.514 -15.566 1.00 0.00 H new ATOM 0 HG SER A 36 -9.946 4.797 -17.093 1.00 0.00 H new ATOM 493 N GLN A 37 -9.238 5.562 -11.615 1.00 0.00 N ATOM 494 CA GLN A 37 -9.908 5.750 -10.330 1.00 0.00 C ATOM 495 C GLN A 37 -9.568 7.109 -9.724 1.00 0.00 C ATOM 496 O GLN A 37 -8.456 7.614 -9.890 1.00 0.00 O ATOM 497 CB GLN A 37 -9.515 4.636 -9.353 1.00 0.00 C ATOM 498 CG GLN A 37 -10.698 3.835 -8.827 1.00 0.00 C ATOM 499 CD GLN A 37 -11.760 4.707 -8.180 1.00 0.00 C ATOM 500 OE1 GLN A 37 -12.681 5.177 -8.848 1.00 0.00 O ATOM 501 NE2 GLN A 37 -11.636 4.929 -6.876 1.00 0.00 N ATOM 0 H GLN A 37 -8.294 5.182 -11.546 1.00 0.00 H new ATOM 0 HA GLN A 37 -10.983 5.710 -10.508 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -8.821 3.958 -9.850 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -8.982 5.076 -8.510 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -11.145 3.275 -9.648 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -10.342 3.105 -8.100 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -10.857 4.520 -6.361 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -12.320 5.509 -6.390 1.00 0.00 H new ATOM 510 N ASN A 38 -10.532 7.695 -9.012 1.00 0.00 N ATOM 511 CA ASN A 38 -10.337 8.995 -8.369 1.00 0.00 C ATOM 512 C ASN A 38 -9.462 8.865 -7.119 1.00 0.00 C ATOM 513 O ASN A 38 -8.674 9.763 -6.814 1.00 0.00 O ATOM 514 CB ASN A 38 -11.688 9.621 -8.002 1.00 0.00 C ATOM 515 CG ASN A 38 -11.941 10.937 -8.721 1.00 0.00 C ATOM 516 OD1 ASN A 38 -11.300 11.243 -9.727 1.00 0.00 O ATOM 517 ND2 ASN A 38 -12.881 11.725 -8.209 1.00 0.00 N ATOM 0 H ASN A 38 -11.456 7.289 -8.866 1.00 0.00 H new ATOM 0 HA ASN A 38 -9.827 9.646 -9.079 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -12.486 8.920 -8.245 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -11.726 9.787 -6.925 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -13.093 12.619 -8.651 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -13.390 11.435 -7.374 1.00 0.00 H new ATOM 524 N SER A 39 -9.603 7.746 -6.401 1.00 0.00 N ATOM 525 CA SER A 39 -8.825 7.499 -5.186 1.00 0.00 C ATOM 526 C SER A 39 -8.333 6.050 -5.130 1.00 0.00 C ATOM 527 O SER A 39 -8.931 5.160 -5.738 1.00 0.00 O ATOM 528 CB SER A 39 -9.662 7.815 -3.944 1.00 0.00 C ATOM 529 OG SER A 39 -8.871 8.423 -2.937 1.00 0.00 O ATOM 0 H SER A 39 -10.251 6.996 -6.642 1.00 0.00 H new ATOM 0 HA SER A 39 -7.955 8.155 -5.207 1.00 0.00 H new ATOM 0 HB2 SER A 39 -10.484 8.478 -4.215 1.00 0.00 H new ATOM 0 HB3 SER A 39 -10.106 6.898 -3.558 1.00 0.00 H new ATOM 0 HG SER A 39 -9.128 9.364 -2.843 1.00 0.00 H new ATOM 535 N ASN A 40 -7.238 5.826 -4.400 1.00 0.00 N ATOM 536 CA ASN A 40 -6.657 4.487 -4.264 1.00 0.00 C ATOM 537 C ASN A 40 -5.966 4.319 -2.910 1.00 0.00 C ATOM 538 O ASN A 40 -5.715 5.301 -2.208 1.00 0.00 O ATOM 539 CB ASN A 40 -5.655 4.230 -5.396 1.00 0.00 C ATOM 540 CG ASN A 40 -4.343 4.968 -5.196 1.00 0.00 C ATOM 541 OD1 ASN A 40 -3.313 4.358 -4.916 1.00 0.00 O ATOM 542 ND2 ASN A 40 -4.375 6.290 -5.328 1.00 0.00 N ATOM 0 H ASN A 40 -6.735 6.555 -3.893 1.00 0.00 H new ATOM 0 HA ASN A 40 -7.467 3.760 -4.326 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -5.458 3.160 -5.466 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -6.098 4.535 -6.344 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -3.524 6.836 -5.196 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -5.251 6.758 -5.561 1.00 0.00 H new ATOM 549 N VAL A 41 -5.652 3.070 -2.553 1.00 0.00 N ATOM 550 CA VAL A 41 -4.983 2.774 -1.285 1.00 0.00 C ATOM 551 C VAL A 41 -3.909 1.697 -1.458 1.00 0.00 C ATOM 552 O VAL A 41 -4.223 0.521 -1.641 1.00 0.00 O ATOM 553 CB VAL A 41 -5.982 2.316 -0.198 1.00 0.00 C ATOM 554 CG1 VAL A 41 -6.800 3.490 0.314 1.00 0.00 C ATOM 555 CG2 VAL A 41 -6.891 1.213 -0.723 1.00 0.00 C ATOM 0 H VAL A 41 -5.851 2.249 -3.125 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.515 3.704 -0.963 1.00 0.00 H new ATOM 0 HB VAL A 41 -5.408 1.912 0.636 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -7.496 3.143 1.078 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -6.134 4.238 0.743 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -7.358 3.932 -0.511 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -7.584 0.909 0.061 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -7.453 1.582 -1.581 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -6.287 0.357 -1.026 1.00 0.00 H new ATOM 565 N ILE A 42 -2.642 2.108 -1.392 1.00 0.00 N ATOM 566 CA ILE A 42 -1.523 1.176 -1.534 1.00 0.00 C ATOM 567 C ILE A 42 -1.162 0.559 -0.180 1.00 0.00 C ATOM 568 O ILE A 42 -1.218 1.232 0.850 1.00 0.00 O ATOM 569 CB ILE A 42 -0.281 1.862 -2.152 1.00 0.00 C ATOM 570 CG1 ILE A 42 0.734 0.816 -2.626 1.00 0.00 C ATOM 571 CG2 ILE A 42 0.363 2.827 -1.164 1.00 0.00 C ATOM 572 CD1 ILE A 42 0.992 0.860 -4.116 1.00 0.00 C ATOM 0 H ILE A 42 -2.365 3.078 -1.241 1.00 0.00 H new ATOM 0 HA ILE A 42 -1.842 0.386 -2.213 1.00 0.00 H new ATOM 0 HB ILE A 42 -0.611 2.438 -3.016 1.00 0.00 H new ATOM 0 HG12 ILE A 42 1.675 0.968 -2.097 1.00 0.00 H new ATOM 0 HG13 ILE A 42 0.374 -0.177 -2.356 1.00 0.00 H new ATOM 0 HG21 ILE A 42 1.233 3.294 -1.626 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -0.357 3.597 -0.885 1.00 0.00 H new ATOM 0 HG23 ILE A 42 0.674 2.282 -0.273 1.00 0.00 H new ATOM 0 HD11 ILE A 42 1.720 0.093 -4.382 1.00 0.00 H new ATOM 0 HD12 ILE A 42 0.061 0.678 -4.652 1.00 0.00 H new ATOM 0 HD13 ILE A 42 1.382 1.841 -4.389 1.00 0.00 H new ATOM 584 N LEU A 43 -0.806 -0.725 -0.188 1.00 0.00 N ATOM 585 CA LEU A 43 -0.453 -1.434 1.041 1.00 0.00 C ATOM 586 C LEU A 43 1.013 -1.841 1.047 1.00 0.00 C ATOM 587 O LEU A 43 1.504 -2.432 0.088 1.00 0.00 O ATOM 588 CB LEU A 43 -1.331 -2.674 1.207 1.00 0.00 C ATOM 589 CG LEU A 43 -2.814 -2.386 1.432 1.00 0.00 C ATOM 590 CD1 LEU A 43 -3.638 -3.645 1.237 1.00 0.00 C ATOM 591 CD2 LEU A 43 -3.037 -1.812 2.820 1.00 0.00 C ATOM 0 H LEU A 43 -0.754 -1.295 -1.032 1.00 0.00 H new ATOM 0 HA LEU A 43 -0.622 -0.753 1.875 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -1.227 -3.296 0.318 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.957 -3.256 2.049 1.00 0.00 H new ATOM 0 HG LEU A 43 -3.138 -1.649 0.697 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -4.692 -3.419 1.402 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -3.501 -4.016 0.221 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -3.314 -4.405 1.948 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -4.099 -1.612 2.965 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -2.697 -2.528 3.569 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -2.476 -0.884 2.924 1.00 0.00 H new ATOM 603 N PHE A 44 1.696 -1.527 2.143 1.00 0.00 N ATOM 604 CA PHE A 44 3.111 -1.857 2.296 1.00 0.00 C ATOM 605 C PHE A 44 3.297 -2.973 3.318 1.00 0.00 C ATOM 606 O PHE A 44 2.707 -2.930 4.400 1.00 0.00 O ATOM 607 CB PHE A 44 3.889 -0.617 2.743 1.00 0.00 C ATOM 608 CG PHE A 44 5.101 -0.321 1.907 1.00 0.00 C ATOM 609 CD1 PHE A 44 4.979 -0.060 0.554 1.00 0.00 C ATOM 610 CD2 PHE A 44 6.363 -0.293 2.479 1.00 0.00 C ATOM 611 CE1 PHE A 44 6.092 0.223 -0.214 1.00 0.00 C ATOM 612 CE2 PHE A 44 7.479 -0.011 1.718 1.00 0.00 C ATOM 613 CZ PHE A 44 7.343 0.248 0.368 1.00 0.00 C ATOM 0 H PHE A 44 1.291 -1.042 2.943 1.00 0.00 H new ATOM 0 HA PHE A 44 3.491 -2.198 1.333 1.00 0.00 H new ATOM 0 HB2 PHE A 44 3.223 0.246 2.717 1.00 0.00 H new ATOM 0 HB3 PHE A 44 4.199 -0.750 3.780 1.00 0.00 H new ATOM 0 HD1 PHE A 44 4.003 -0.078 0.093 1.00 0.00 H new ATOM 0 HD2 PHE A 44 6.474 -0.495 3.534 1.00 0.00 H new ATOM 0 HE1 PHE A 44 5.983 0.425 -1.269 1.00 0.00 H new ATOM 0 HE2 PHE A 44 8.457 0.007 2.177 1.00 0.00 H new ATOM 0 HZ PHE A 44 8.214 0.470 -0.231 1.00 0.00 H new ATOM 623 N CYS A 45 4.123 -3.967 2.984 1.00 0.00 N ATOM 624 CA CYS A 45 4.371 -5.075 3.906 1.00 0.00 C ATOM 625 C CYS A 45 4.990 -4.561 5.204 1.00 0.00 C ATOM 626 O CYS A 45 5.730 -3.572 5.201 1.00 0.00 O ATOM 627 CB CYS A 45 5.282 -6.133 3.279 1.00 0.00 C ATOM 628 SG CYS A 45 5.323 -7.698 4.216 1.00 0.00 S ATOM 0 H CYS A 45 4.623 -4.027 2.097 1.00 0.00 H new ATOM 0 HA CYS A 45 3.410 -5.541 4.126 1.00 0.00 H new ATOM 0 HB2 CYS A 45 4.946 -6.335 2.262 1.00 0.00 H new ATOM 0 HB3 CYS A 45 6.294 -5.734 3.207 1.00 0.00 H new ATOM 633 N ASP A 46 4.680 -5.229 6.312 1.00 0.00 N ATOM 634 CA ASP A 46 5.203 -4.825 7.614 1.00 0.00 C ATOM 635 C ASP A 46 6.628 -5.337 7.843 1.00 0.00 C ATOM 636 O ASP A 46 7.305 -4.879 8.766 1.00 0.00 O ATOM 637 CB ASP A 46 4.277 -5.293 8.740 1.00 0.00 C ATOM 638 CG ASP A 46 3.938 -4.178 9.718 1.00 0.00 C ATOM 639 OD1 ASP A 46 3.869 -3.003 9.292 1.00 0.00 O ATOM 640 OD2 ASP A 46 3.737 -4.479 10.911 1.00 0.00 O ATOM 0 H ASP A 46 4.073 -6.048 6.335 1.00 0.00 H new ATOM 0 HA ASP A 46 5.242 -3.736 7.622 1.00 0.00 H new ATOM 0 HB2 ASP A 46 3.356 -5.686 8.309 1.00 0.00 H new ATOM 0 HB3 ASP A 46 4.752 -6.113 9.279 1.00 0.00 H new ATOM 645 N MET A 47 7.097 -6.258 6.995 1.00 0.00 N ATOM 646 CA MET A 47 8.455 -6.781 7.114 1.00 0.00 C ATOM 647 C MET A 47 9.156 -6.707 5.759 1.00 0.00 C ATOM 648 O MET A 47 10.201 -7.328 5.555 1.00 0.00 O ATOM 649 CB MET A 47 8.439 -8.231 7.615 1.00 0.00 C ATOM 650 CG MET A 47 7.681 -8.430 8.918 1.00 0.00 C ATOM 651 SD MET A 47 8.732 -8.227 10.371 1.00 0.00 S ATOM 652 CE MET A 47 7.532 -8.420 11.688 1.00 0.00 C ATOM 0 H MET A 47 6.558 -6.653 6.224 1.00 0.00 H new ATOM 0 HA MET A 47 8.998 -6.174 7.838 1.00 0.00 H new ATOM 0 HB2 MET A 47 7.993 -8.864 6.848 1.00 0.00 H new ATOM 0 HB3 MET A 47 9.467 -8.569 7.750 1.00 0.00 H new ATOM 0 HG2 MET A 47 6.858 -7.717 8.967 1.00 0.00 H new ATOM 0 HG3 MET A 47 7.241 -9.427 8.929 1.00 0.00 H new ATOM 0 HE1 MET A 47 7.925 -7.982 12.606 1.00 0.00 H new ATOM 0 HE2 MET A 47 6.606 -7.915 11.413 1.00 0.00 H new ATOM 0 HE3 MET A 47 7.334 -9.480 11.847 1.00 0.00 H new ATOM 662 N CYS A 48 8.554 -5.955 4.830 1.00 0.00 N ATOM 663 CA CYS A 48 9.084 -5.813 3.488 1.00 0.00 C ATOM 664 C CYS A 48 8.667 -4.478 2.866 1.00 0.00 C ATOM 665 O CYS A 48 8.090 -3.620 3.537 1.00 0.00 O ATOM 666 CB CYS A 48 8.555 -6.956 2.624 1.00 0.00 C ATOM 667 SG CYS A 48 8.899 -8.620 3.267 1.00 0.00 S ATOM 0 H CYS A 48 7.692 -5.435 4.995 1.00 0.00 H new ATOM 0 HA CYS A 48 10.172 -5.842 3.539 1.00 0.00 H new ATOM 0 HB2 CYS A 48 7.477 -6.840 2.514 1.00 0.00 H new ATOM 0 HB3 CYS A 48 8.988 -6.870 1.628 1.00 0.00 H new ATOM 672 N ASN A 49 8.944 -4.328 1.570 1.00 0.00 N ATOM 673 CA ASN A 49 8.583 -3.122 0.830 1.00 0.00 C ATOM 674 C ASN A 49 7.471 -3.415 -0.186 1.00 0.00 C ATOM 675 O ASN A 49 7.136 -2.559 -1.008 1.00 0.00 O ATOM 676 CB ASN A 49 9.809 -2.539 0.117 1.00 0.00 C ATOM 677 CG ASN A 49 10.479 -3.536 -0.812 1.00 0.00 C ATOM 678 OD1 ASN A 49 9.988 -3.804 -1.909 1.00 0.00 O ATOM 679 ND2 ASN A 49 11.609 -4.089 -0.382 1.00 0.00 N ATOM 0 H ASN A 49 9.421 -5.034 1.009 1.00 0.00 H new ATOM 0 HA ASN A 49 8.212 -2.388 1.545 1.00 0.00 H new ATOM 0 HB2 ASN A 49 9.508 -1.662 -0.455 1.00 0.00 H new ATOM 0 HB3 ASN A 49 10.530 -2.202 0.861 1.00 0.00 H new ATOM 0 HD21 ASN A 49 12.102 -4.763 -0.968 1.00 0.00 H new ATOM 0 HD22 ASN A 49 11.983 -3.840 0.534 1.00 0.00 H new ATOM 686 N LEU A 50 6.902 -4.629 -0.125 1.00 0.00 N ATOM 687 CA LEU A 50 5.830 -5.026 -1.036 1.00 0.00 C ATOM 688 C LEU A 50 4.687 -4.019 -0.990 1.00 0.00 C ATOM 689 O LEU A 50 3.960 -3.933 0.001 1.00 0.00 O ATOM 690 CB LEU A 50 5.316 -6.426 -0.682 1.00 0.00 C ATOM 691 CG LEU A 50 4.621 -7.179 -1.822 1.00 0.00 C ATOM 692 CD1 LEU A 50 3.404 -6.414 -2.316 1.00 0.00 C ATOM 693 CD2 LEU A 50 5.595 -7.441 -2.965 1.00 0.00 C ATOM 0 H LEU A 50 7.170 -5.348 0.547 1.00 0.00 H new ATOM 0 HA LEU A 50 6.233 -5.048 -2.049 1.00 0.00 H new ATOM 0 HB2 LEU A 50 6.157 -7.026 -0.333 1.00 0.00 H new ATOM 0 HB3 LEU A 50 4.619 -6.339 0.151 1.00 0.00 H new ATOM 0 HG LEU A 50 4.280 -8.140 -1.435 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.929 -6.969 -3.125 1.00 0.00 H new ATOM 0 HD12 LEU A 50 2.696 -6.289 -1.497 1.00 0.00 H new ATOM 0 HD13 LEU A 50 3.713 -5.435 -2.681 1.00 0.00 H new ATOM 0 HD21 LEU A 50 5.083 -7.976 -3.764 1.00 0.00 H new ATOM 0 HD22 LEU A 50 5.971 -6.492 -3.347 1.00 0.00 H new ATOM 0 HD23 LEU A 50 6.429 -8.042 -2.602 1.00 0.00 H new ATOM 705 N ALA A 51 4.545 -3.252 -2.067 1.00 0.00 N ATOM 706 CA ALA A 51 3.503 -2.238 -2.153 1.00 0.00 C ATOM 707 C ALA A 51 2.460 -2.607 -3.204 1.00 0.00 C ATOM 708 O ALA A 51 2.756 -2.618 -4.396 1.00 0.00 O ATOM 709 CB ALA A 51 4.111 -0.881 -2.470 1.00 0.00 C ATOM 0 H ALA A 51 5.140 -3.315 -2.893 1.00 0.00 H new ATOM 0 HA ALA A 51 3.004 -2.185 -1.185 1.00 0.00 H new ATOM 0 HB1 ALA A 51 3.320 -0.133 -2.531 1.00 0.00 H new ATOM 0 HB2 ALA A 51 4.812 -0.604 -1.683 1.00 0.00 H new ATOM 0 HB3 ALA A 51 4.637 -0.932 -3.423 1.00 0.00 H new ATOM 715 N VAL A 52 1.242 -2.906 -2.755 1.00 0.00 N ATOM 716 CA VAL A 52 0.157 -3.266 -3.667 1.00 0.00 C ATOM 717 C VAL A 52 -1.187 -2.768 -3.142 1.00 0.00 C ATOM 718 O VAL A 52 -1.499 -2.947 -1.965 1.00 0.00 O ATOM 719 CB VAL A 52 0.073 -4.795 -3.892 1.00 0.00 C ATOM 720 CG1 VAL A 52 1.304 -5.300 -4.631 1.00 0.00 C ATOM 721 CG2 VAL A 52 -0.107 -5.533 -2.572 1.00 0.00 C ATOM 0 H VAL A 52 0.982 -2.906 -1.769 1.00 0.00 H new ATOM 0 HA VAL A 52 0.380 -2.785 -4.619 1.00 0.00 H new ATOM 0 HB VAL A 52 -0.802 -4.996 -4.510 1.00 0.00 H new ATOM 0 HG11 VAL A 52 1.224 -6.377 -4.778 1.00 0.00 H new ATOM 0 HG12 VAL A 52 1.375 -4.806 -5.600 1.00 0.00 H new ATOM 0 HG13 VAL A 52 2.196 -5.080 -4.045 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -0.163 -6.605 -2.759 1.00 0.00 H new ATOM 0 HG22 VAL A 52 0.740 -5.323 -1.919 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -1.027 -5.200 -2.092 1.00 0.00 H new ATOM 731 N HIS A 53 -1.988 -2.155 -4.014 1.00 0.00 N ATOM 732 CA HIS A 53 -3.304 -1.657 -3.606 1.00 0.00 C ATOM 733 C HIS A 53 -4.180 -2.812 -3.118 1.00 0.00 C ATOM 734 O HIS A 53 -4.138 -3.908 -3.678 1.00 0.00 O ATOM 735 CB HIS A 53 -4.016 -0.933 -4.757 1.00 0.00 C ATOM 736 CG HIS A 53 -3.228 0.184 -5.369 1.00 0.00 C ATOM 737 ND1 HIS A 53 -2.668 0.061 -6.615 1.00 0.00 N ATOM 738 CD2 HIS A 53 -2.955 1.418 -4.882 1.00 0.00 C ATOM 739 CE1 HIS A 53 -2.073 1.213 -6.862 1.00 0.00 C ATOM 740 NE2 HIS A 53 -2.219 2.069 -5.839 1.00 0.00 N ATOM 0 H HIS A 53 -1.755 -1.992 -4.994 1.00 0.00 H new ATOM 0 HA HIS A 53 -3.146 -0.945 -2.796 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -4.256 -1.659 -5.533 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -4.962 -0.535 -4.389 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -3.259 1.813 -3.924 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -1.537 1.438 -7.772 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -1.853 3.020 -5.784 1.00 0.00 H new ATOM 748 N GLN A 54 -4.981 -2.559 -2.081 1.00 0.00 N ATOM 749 CA GLN A 54 -5.876 -3.586 -1.535 1.00 0.00 C ATOM 750 C GLN A 54 -6.927 -4.008 -2.567 1.00 0.00 C ATOM 751 O GLN A 54 -7.517 -5.085 -2.458 1.00 0.00 O ATOM 752 CB GLN A 54 -6.563 -3.083 -0.259 1.00 0.00 C ATOM 753 CG GLN A 54 -7.510 -1.912 -0.483 1.00 0.00 C ATOM 754 CD GLN A 54 -8.971 -2.312 -0.375 1.00 0.00 C ATOM 755 OE1 GLN A 54 -9.627 -2.580 -1.382 1.00 0.00 O ATOM 756 NE2 GLN A 54 -9.489 -2.356 0.849 1.00 0.00 N ATOM 0 H GLN A 54 -5.030 -1.659 -1.604 1.00 0.00 H new ATOM 0 HA GLN A 54 -5.269 -4.457 -1.287 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -7.120 -3.906 0.190 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -5.799 -2.786 0.459 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -7.296 -1.132 0.248 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -7.326 -1.485 -1.469 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -8.910 -2.126 1.656 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -10.466 -2.620 0.980 1.00 0.00 H new ATOM 765 N GLU A 55 -7.135 -3.165 -3.579 1.00 0.00 N ATOM 766 CA GLU A 55 -8.085 -3.451 -4.647 1.00 0.00 C ATOM 767 C GLU A 55 -7.382 -4.207 -5.767 1.00 0.00 C ATOM 768 O GLU A 55 -7.999 -4.966 -6.515 1.00 0.00 O ATOM 769 CB GLU A 55 -8.685 -2.148 -5.179 1.00 0.00 C ATOM 770 CG GLU A 55 -9.977 -2.342 -5.955 1.00 0.00 C ATOM 771 CD GLU A 55 -10.155 -1.313 -7.054 1.00 0.00 C ATOM 772 OE1 GLU A 55 -9.474 -1.431 -8.095 1.00 0.00 O ATOM 773 OE2 GLU A 55 -10.972 -0.386 -6.872 1.00 0.00 O ATOM 0 H GLU A 55 -6.652 -2.272 -3.679 1.00 0.00 H new ATOM 0 HA GLU A 55 -8.893 -4.069 -4.255 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -8.872 -1.476 -4.341 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -7.955 -1.659 -5.823 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -9.988 -3.341 -6.392 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -10.821 -2.285 -5.268 1.00 0.00 H new ATOM 780 N CYS A 56 -6.073 -3.980 -5.861 1.00 0.00 N ATOM 781 CA CYS A 56 -5.234 -4.606 -6.860 1.00 0.00 C ATOM 782 C CYS A 56 -4.921 -6.046 -6.470 1.00 0.00 C ATOM 783 O CYS A 56 -4.890 -6.937 -7.318 1.00 0.00 O ATOM 784 CB CYS A 56 -3.940 -3.803 -6.993 1.00 0.00 C ATOM 785 SG CYS A 56 -3.752 -2.940 -8.583 1.00 0.00 S ATOM 0 H CYS A 56 -5.569 -3.350 -5.237 1.00 0.00 H new ATOM 0 HA CYS A 56 -5.759 -4.621 -7.815 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -3.897 -3.069 -6.188 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -3.093 -4.476 -6.856 1.00 0.00 H new ATOM 790 N TYR A 57 -4.689 -6.263 -5.176 1.00 0.00 N ATOM 791 CA TYR A 57 -4.381 -7.592 -4.668 1.00 0.00 C ATOM 792 C TYR A 57 -5.657 -8.406 -4.436 1.00 0.00 C ATOM 793 O TYR A 57 -5.660 -9.627 -4.604 1.00 0.00 O ATOM 794 CB TYR A 57 -3.575 -7.497 -3.369 1.00 0.00 C ATOM 795 CG TYR A 57 -2.953 -8.811 -2.946 1.00 0.00 C ATOM 796 CD1 TYR A 57 -1.809 -9.296 -3.571 1.00 0.00 C ATOM 797 CD2 TYR A 57 -3.510 -9.566 -1.922 1.00 0.00 C ATOM 798 CE1 TYR A 57 -1.242 -10.495 -3.188 1.00 0.00 C ATOM 799 CE2 TYR A 57 -2.946 -10.766 -1.532 1.00 0.00 C ATOM 800 CZ TYR A 57 -1.813 -11.226 -2.168 1.00 0.00 C ATOM 801 OH TYR A 57 -1.248 -12.420 -1.782 1.00 0.00 O ATOM 0 H TYR A 57 -4.709 -5.533 -4.463 1.00 0.00 H new ATOM 0 HA TYR A 57 -3.781 -8.105 -5.420 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -2.787 -6.755 -3.493 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -4.227 -7.139 -2.572 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -1.357 -8.725 -4.369 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -4.399 -9.210 -1.422 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -0.355 -10.859 -3.685 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -3.391 -11.340 -0.733 1.00 0.00 H new ATOM 0 HH TYR A 57 -1.772 -12.808 -1.050 1.00 0.00 H new ATOM 811 N GLY A 58 -6.733 -7.723 -4.042 1.00 0.00 N ATOM 812 CA GLY A 58 -7.998 -8.395 -3.784 1.00 0.00 C ATOM 813 C GLY A 58 -8.246 -8.613 -2.301 1.00 0.00 C ATOM 814 O GLY A 58 -8.851 -9.612 -1.908 1.00 0.00 O ATOM 0 H GLY A 58 -6.750 -6.714 -3.897 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -8.812 -7.804 -4.203 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -8.006 -9.357 -4.296 1.00 0.00 H new ATOM 818 N VAL A 59 -7.776 -7.677 -1.476 1.00 0.00 N ATOM 819 CA VAL A 59 -7.945 -7.765 -0.029 1.00 0.00 C ATOM 820 C VAL A 59 -9.385 -7.432 0.369 1.00 0.00 C ATOM 821 O VAL A 59 -9.954 -6.451 -0.110 1.00 0.00 O ATOM 822 CB VAL A 59 -6.972 -6.819 0.709 1.00 0.00 C ATOM 823 CG1 VAL A 59 -7.043 -7.034 2.211 1.00 0.00 C ATOM 824 CG2 VAL A 59 -5.549 -7.014 0.205 1.00 0.00 C ATOM 0 H VAL A 59 -7.273 -6.846 -1.789 1.00 0.00 H new ATOM 0 HA VAL A 59 -7.720 -8.791 0.263 1.00 0.00 H new ATOM 0 HB VAL A 59 -7.273 -5.792 0.500 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -6.349 -6.357 2.709 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -8.057 -6.836 2.559 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -6.774 -8.064 2.444 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -4.879 -6.339 0.737 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -5.239 -8.044 0.379 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -5.508 -6.799 -0.863 1.00 0.00 H new ATOM 834 N PRO A 60 -9.996 -8.251 1.250 1.00 0.00 N ATOM 835 CA PRO A 60 -11.379 -8.040 1.703 1.00 0.00 C ATOM 836 C PRO A 60 -11.542 -6.774 2.545 1.00 0.00 C ATOM 837 O PRO A 60 -12.531 -6.052 2.404 1.00 0.00 O ATOM 838 CB PRO A 60 -11.677 -9.288 2.542 1.00 0.00 C ATOM 839 CG PRO A 60 -10.343 -9.780 2.985 1.00 0.00 C ATOM 840 CD PRO A 60 -9.392 -9.451 1.869 1.00 0.00 C ATOM 0 HA PRO A 60 -12.059 -7.902 0.863 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -12.313 -9.048 3.394 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -12.201 -10.042 1.955 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -10.037 -9.298 3.914 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -10.366 -10.853 3.175 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -8.388 -9.249 2.242 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -9.308 -10.272 1.157 1.00 0.00 H new ATOM 848 N TYR A 61 -10.573 -6.508 3.419 1.00 0.00 N ATOM 849 CA TYR A 61 -10.615 -5.328 4.279 1.00 0.00 C ATOM 850 C TYR A 61 -9.210 -4.925 4.722 1.00 0.00 C ATOM 851 O TYR A 61 -8.223 -5.538 4.317 1.00 0.00 O ATOM 852 CB TYR A 61 -11.502 -5.575 5.510 1.00 0.00 C ATOM 853 CG TYR A 61 -11.408 -6.973 6.096 1.00 0.00 C ATOM 854 CD1 TYR A 61 -10.225 -7.704 6.050 1.00 0.00 C ATOM 855 CD2 TYR A 61 -12.513 -7.556 6.696 1.00 0.00 C ATOM 856 CE1 TYR A 61 -10.150 -8.977 6.585 1.00 0.00 C ATOM 857 CE2 TYR A 61 -12.447 -8.828 7.235 1.00 0.00 C ATOM 858 CZ TYR A 61 -11.264 -9.534 7.175 1.00 0.00 C ATOM 859 OH TYR A 61 -11.194 -10.801 7.708 1.00 0.00 O ATOM 0 H TYR A 61 -9.749 -7.094 3.550 1.00 0.00 H new ATOM 0 HA TYR A 61 -11.045 -4.512 3.698 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -11.235 -4.854 6.283 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -12.539 -5.380 5.237 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -9.350 -7.270 5.589 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -13.442 -7.007 6.743 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -9.224 -9.531 6.541 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -13.318 -9.266 7.700 1.00 0.00 H new ATOM 0 HH TYR A 61 -12.064 -11.045 8.087 1.00 0.00 H new ATOM 869 N ILE A 62 -9.130 -3.892 5.558 1.00 0.00 N ATOM 870 CA ILE A 62 -7.844 -3.415 6.056 1.00 0.00 C ATOM 871 C ILE A 62 -7.771 -3.536 7.578 1.00 0.00 C ATOM 872 O ILE A 62 -8.335 -2.714 8.303 1.00 0.00 O ATOM 873 CB ILE A 62 -7.581 -1.950 5.644 1.00 0.00 C ATOM 874 CG1 ILE A 62 -7.662 -1.802 4.122 1.00 0.00 C ATOM 875 CG2 ILE A 62 -6.222 -1.490 6.150 1.00 0.00 C ATOM 876 CD1 ILE A 62 -7.878 -0.375 3.663 1.00 0.00 C ATOM 0 H ILE A 62 -9.937 -3.372 5.903 1.00 0.00 H new ATOM 0 HA ILE A 62 -7.075 -4.044 5.607 1.00 0.00 H new ATOM 0 HB ILE A 62 -8.348 -1.321 6.096 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -6.742 -2.182 3.679 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -8.476 -2.423 3.748 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -6.053 -0.456 5.851 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -6.195 -1.562 7.237 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -5.442 -2.122 5.725 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -7.925 -0.346 2.574 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -8.813 0.003 4.077 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -7.051 0.247 4.007 1.00 0.00 H new ATOM 888 N PRO A 63 -7.067 -4.568 8.080 1.00 0.00 N ATOM 889 CA PRO A 63 -6.914 -4.799 9.523 1.00 0.00 C ATOM 890 C PRO A 63 -6.078 -3.714 10.197 1.00 0.00 C ATOM 891 O PRO A 63 -5.370 -2.958 9.527 1.00 0.00 O ATOM 892 CB PRO A 63 -6.201 -6.152 9.597 1.00 0.00 C ATOM 893 CG PRO A 63 -5.497 -6.287 8.291 1.00 0.00 C ATOM 894 CD PRO A 63 -6.366 -5.592 7.282 1.00 0.00 C ATOM 0 HA PRO A 63 -7.872 -4.782 10.042 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -5.498 -6.183 10.430 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -6.911 -6.965 9.749 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -4.507 -5.833 8.332 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -5.357 -7.336 8.029 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -5.775 -5.144 6.484 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -7.066 -6.283 6.811 1.00 0.00 H new ATOM 902 N GLU A 64 -6.162 -3.644 11.524 1.00 0.00 N ATOM 903 CA GLU A 64 -5.413 -2.649 12.289 1.00 0.00 C ATOM 904 C GLU A 64 -4.200 -3.276 12.984 1.00 0.00 C ATOM 905 O GLU A 64 -3.880 -2.933 14.125 1.00 0.00 O ATOM 906 CB GLU A 64 -6.327 -1.982 13.323 1.00 0.00 C ATOM 907 CG GLU A 64 -7.582 -1.367 12.723 1.00 0.00 C ATOM 908 CD GLU A 64 -8.497 -0.767 13.773 1.00 0.00 C ATOM 909 OE1 GLU A 64 -8.236 0.374 14.207 1.00 0.00 O ATOM 910 OE2 GLU A 64 -9.478 -1.439 14.161 1.00 0.00 O ATOM 0 H GLU A 64 -6.740 -4.264 12.091 1.00 0.00 H new ATOM 0 HA GLU A 64 -5.048 -1.895 11.592 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -6.617 -2.721 14.070 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -5.766 -1.206 13.844 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -7.298 -0.594 12.009 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -8.126 -2.130 12.166 1.00 0.00 H new ATOM 917 N GLY A 65 -3.527 -4.194 12.287 1.00 0.00 N ATOM 918 CA GLY A 65 -2.357 -4.848 12.847 1.00 0.00 C ATOM 919 C GLY A 65 -1.184 -4.862 11.883 1.00 0.00 C ATOM 920 O GLY A 65 -0.941 -3.880 11.179 1.00 0.00 O ATOM 0 H GLY A 65 -3.774 -4.495 11.344 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -2.063 -4.338 13.765 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -2.612 -5.872 13.119 1.00 0.00 H new ATOM 924 N GLN A 66 -0.457 -5.978 11.852 1.00 0.00 N ATOM 925 CA GLN A 66 0.700 -6.122 10.968 1.00 0.00 C ATOM 926 C GLN A 66 0.302 -6.788 9.651 1.00 0.00 C ATOM 927 O GLN A 66 -0.455 -7.760 9.642 1.00 0.00 O ATOM 928 CB GLN A 66 1.798 -6.946 11.654 1.00 0.00 C ATOM 929 CG GLN A 66 2.070 -6.544 13.100 1.00 0.00 C ATOM 930 CD GLN A 66 3.536 -6.249 13.371 1.00 0.00 C ATOM 931 OE1 GLN A 66 3.865 -5.323 14.109 1.00 0.00 O ATOM 932 NE2 GLN A 66 4.426 -7.034 12.770 1.00 0.00 N ATOM 0 H GLN A 66 -0.649 -6.797 12.429 1.00 0.00 H new ATOM 0 HA GLN A 66 1.083 -5.125 10.752 1.00 0.00 H new ATOM 0 HB2 GLN A 66 1.516 -7.999 11.628 1.00 0.00 H new ATOM 0 HB3 GLN A 66 2.721 -6.849 11.082 1.00 0.00 H new ATOM 0 HG2 GLN A 66 1.477 -5.662 13.343 1.00 0.00 H new ATOM 0 HG3 GLN A 66 1.738 -7.344 13.762 1.00 0.00 H new ATOM 0 HE21 GLN A 66 4.111 -7.792 12.165 1.00 0.00 H new ATOM 0 HE22 GLN A 66 5.424 -6.878 12.914 1.00 0.00 H new ATOM 941 N TRP A 67 0.820 -6.262 8.539 1.00 0.00 N ATOM 942 CA TRP A 67 0.516 -6.812 7.216 1.00 0.00 C ATOM 943 C TRP A 67 1.706 -7.592 6.654 1.00 0.00 C ATOM 944 O TRP A 67 2.845 -7.130 6.704 1.00 0.00 O ATOM 945 CB TRP A 67 0.119 -5.695 6.246 1.00 0.00 C ATOM 946 CG TRP A 67 -0.618 -6.197 5.040 1.00 0.00 C ATOM 947 CD1 TRP A 67 -1.782 -6.914 5.034 1.00 0.00 C ATOM 948 CD2 TRP A 67 -0.243 -6.028 3.666 1.00 0.00 C ATOM 949 NE1 TRP A 67 -2.151 -7.200 3.742 1.00 0.00 N ATOM 950 CE2 TRP A 67 -1.225 -6.667 2.885 1.00 0.00 C ATOM 951 CE3 TRP A 67 0.826 -5.398 3.021 1.00 0.00 C ATOM 952 CZ2 TRP A 67 -1.168 -6.695 1.494 1.00 0.00 C ATOM 953 CZ3 TRP A 67 0.880 -5.426 1.640 1.00 0.00 C ATOM 954 CH2 TRP A 67 -0.111 -6.070 0.890 1.00 0.00 C ATOM 0 H TRP A 67 1.449 -5.459 8.528 1.00 0.00 H new ATOM 0 HA TRP A 67 -0.323 -7.499 7.328 1.00 0.00 H new ATOM 0 HB2 TRP A 67 -0.505 -4.971 6.770 1.00 0.00 H new ATOM 0 HB3 TRP A 67 1.016 -5.167 5.922 1.00 0.00 H new ATOM 0 HD1 TRP A 67 -2.331 -7.212 5.915 1.00 0.00 H new ATOM 0 HE1 TRP A 67 -2.981 -7.725 3.465 1.00 0.00 H new ATOM 0 HE3 TRP A 67 1.595 -4.899 3.591 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 -1.931 -7.192 0.913 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 1.701 -4.943 1.131 1.00 0.00 H new ATOM 0 HH2 TRP A 67 -0.040 -6.074 -0.188 1.00 0.00 H new ATOM 965 N LEU A 68 1.427 -8.780 6.119 1.00 0.00 N ATOM 966 CA LEU A 68 2.462 -9.640 5.539 1.00 0.00 C ATOM 967 C LEU A 68 2.191 -9.875 4.053 1.00 0.00 C ATOM 968 O LEU A 68 1.035 -9.971 3.634 1.00 0.00 O ATOM 969 CB LEU A 68 2.503 -10.991 6.266 1.00 0.00 C ATOM 970 CG LEU A 68 3.202 -10.995 7.633 1.00 0.00 C ATOM 971 CD1 LEU A 68 4.708 -10.859 7.463 1.00 0.00 C ATOM 972 CD2 LEU A 68 2.660 -9.887 8.526 1.00 0.00 C ATOM 0 H LEU A 68 0.487 -9.172 6.074 1.00 0.00 H new ATOM 0 HA LEU A 68 3.423 -9.139 5.654 1.00 0.00 H new ATOM 0 HB2 LEU A 68 1.479 -11.340 6.402 1.00 0.00 H new ATOM 0 HB3 LEU A 68 3.003 -11.714 5.621 1.00 0.00 H new ATOM 0 HG LEU A 68 2.994 -11.949 8.117 1.00 0.00 H new ATOM 0 HD11 LEU A 68 5.187 -10.864 8.442 1.00 0.00 H new ATOM 0 HD12 LEU A 68 5.084 -11.693 6.871 1.00 0.00 H new ATOM 0 HD13 LEU A 68 4.934 -9.922 6.954 1.00 0.00 H new ATOM 0 HD21 LEU A 68 3.172 -9.912 9.488 1.00 0.00 H new ATOM 0 HD22 LEU A 68 2.829 -8.921 8.050 1.00 0.00 H new ATOM 0 HD23 LEU A 68 1.591 -10.034 8.680 1.00 0.00 H new ATOM 984 N CYS A 69 3.258 -9.974 3.259 1.00 0.00 N ATOM 985 CA CYS A 69 3.124 -10.207 1.824 1.00 0.00 C ATOM 986 C CYS A 69 2.927 -11.699 1.529 1.00 0.00 C ATOM 987 O CYS A 69 3.058 -12.539 2.421 1.00 0.00 O ATOM 988 CB CYS A 69 4.344 -9.658 1.066 1.00 0.00 C ATOM 989 SG CYS A 69 5.949 -10.355 1.585 1.00 0.00 S ATOM 0 H CYS A 69 4.221 -9.896 3.586 1.00 0.00 H new ATOM 0 HA CYS A 69 2.239 -9.674 1.476 1.00 0.00 H new ATOM 0 HB2 CYS A 69 4.208 -9.850 0.002 1.00 0.00 H new ATOM 0 HB3 CYS A 69 4.376 -8.576 1.194 1.00 0.00 H new ATOM 994 N ARG A 70 2.599 -12.020 0.275 1.00 0.00 N ATOM 995 CA ARG A 70 2.368 -13.412 -0.135 1.00 0.00 C ATOM 996 C ARG A 70 3.614 -14.283 0.059 1.00 0.00 C ATOM 997 O ARG A 70 3.504 -15.498 0.235 1.00 0.00 O ATOM 998 CB ARG A 70 1.919 -13.474 -1.597 1.00 0.00 C ATOM 999 CG ARG A 70 2.958 -12.966 -2.585 1.00 0.00 C ATOM 1000 CD ARG A 70 2.382 -11.902 -3.505 1.00 0.00 C ATOM 1001 NE ARG A 70 3.421 -11.227 -4.281 1.00 0.00 N ATOM 1002 CZ ARG A 70 3.236 -10.086 -4.950 1.00 0.00 C ATOM 1003 NH1 ARG A 70 2.049 -9.484 -4.948 1.00 0.00 N ATOM 1004 NH2 ARG A 70 4.245 -9.546 -5.623 1.00 0.00 N ATOM 0 H ARG A 70 2.487 -11.338 -0.475 1.00 0.00 H new ATOM 0 HA ARG A 70 1.579 -13.806 0.505 1.00 0.00 H new ATOM 0 HB2 ARG A 70 1.669 -14.505 -1.846 1.00 0.00 H new ATOM 0 HB3 ARG A 70 1.007 -12.888 -1.711 1.00 0.00 H new ATOM 0 HG2 ARG A 70 3.808 -12.555 -2.041 1.00 0.00 H new ATOM 0 HG3 ARG A 70 3.332 -13.799 -3.180 1.00 0.00 H new ATOM 0 HD2 ARG A 70 1.663 -12.361 -4.184 1.00 0.00 H new ATOM 0 HD3 ARG A 70 1.837 -11.167 -2.913 1.00 0.00 H new ATOM 0 HE ARG A 70 4.346 -11.655 -4.314 1.00 0.00 H new ATOM 0 HH11 ARG A 70 1.270 -9.894 -4.432 1.00 0.00 H new ATOM 0 HH12 ARG A 70 1.918 -8.613 -5.462 1.00 0.00 H new ATOM 0 HH21 ARG A 70 5.157 -10.002 -5.628 1.00 0.00 H new ATOM 0 HH22 ARG A 70 4.108 -8.675 -6.135 1.00 0.00 H new ATOM 1018 N HIS A 71 4.789 -13.657 0.051 1.00 0.00 N ATOM 1019 CA HIS A 71 6.048 -14.372 0.250 1.00 0.00 C ATOM 1020 C HIS A 71 6.314 -14.498 1.740 1.00 0.00 C ATOM 1021 O HIS A 71 6.922 -15.463 2.208 1.00 0.00 O ATOM 1022 CB HIS A 71 7.203 -13.627 -0.426 1.00 0.00 C ATOM 1023 CG HIS A 71 8.051 -14.492 -1.305 1.00 0.00 C ATOM 1024 ND1 HIS A 71 8.549 -15.716 -0.906 1.00 0.00 N ATOM 1025 CD2 HIS A 71 8.493 -14.303 -2.572 1.00 0.00 C ATOM 1026 CE1 HIS A 71 9.265 -16.237 -1.886 1.00 0.00 C ATOM 1027 NE2 HIS A 71 9.244 -15.402 -2.908 1.00 0.00 N ATOM 0 H HIS A 71 4.896 -12.653 -0.092 1.00 0.00 H new ATOM 0 HA HIS A 71 5.973 -15.363 -0.198 1.00 0.00 H new ATOM 0 HB2 HIS A 71 6.796 -12.809 -1.021 1.00 0.00 H new ATOM 0 HB3 HIS A 71 7.833 -13.179 0.343 1.00 0.00 H new ATOM 0 HD2 HIS A 71 8.292 -13.448 -3.200 1.00 0.00 H new ATOM 0 HE1 HIS A 71 9.780 -17.186 -1.856 1.00 0.00 H new ATOM 0 HE2 HIS A 71 9.710 -15.549 -3.803 1.00 0.00 H new ATOM 1036 N CYS A 72 5.830 -13.501 2.470 1.00 0.00 N ATOM 1037 CA CYS A 72 5.965 -13.436 3.908 1.00 0.00 C ATOM 1038 C CYS A 72 5.137 -14.534 4.566 1.00 0.00 C ATOM 1039 O CYS A 72 5.668 -15.385 5.279 1.00 0.00 O ATOM 1040 CB CYS A 72 5.483 -12.068 4.372 1.00 0.00 C ATOM 1041 SG CYS A 72 6.773 -11.017 5.105 1.00 0.00 S ATOM 0 H CYS A 72 5.328 -12.709 2.069 1.00 0.00 H new ATOM 0 HA CYS A 72 7.008 -13.582 4.191 1.00 0.00 H new ATOM 0 HB2 CYS A 72 5.046 -11.544 3.522 1.00 0.00 H new ATOM 0 HB3 CYS A 72 4.687 -12.207 5.104 1.00 0.00 H new ATOM 1046 N LEU A 73 3.827 -14.505 4.310 1.00 0.00 N ATOM 1047 CA LEU A 73 2.911 -15.500 4.865 1.00 0.00 C ATOM 1048 C LEU A 73 3.309 -16.907 4.429 1.00 0.00 C ATOM 1049 O LEU A 73 3.268 -17.839 5.228 1.00 0.00 O ATOM 1050 CB LEU A 73 1.465 -15.208 4.443 1.00 0.00 C ATOM 1051 CG LEU A 73 1.227 -15.080 2.937 1.00 0.00 C ATOM 1052 CD1 LEU A 73 0.768 -16.407 2.347 1.00 0.00 C ATOM 1053 CD2 LEU A 73 0.209 -13.982 2.654 1.00 0.00 C ATOM 0 H LEU A 73 3.378 -13.803 3.722 1.00 0.00 H new ATOM 0 HA LEU A 73 2.975 -15.441 5.952 1.00 0.00 H new ATOM 0 HB2 LEU A 73 0.826 -16.003 4.827 1.00 0.00 H new ATOM 0 HB3 LEU A 73 1.146 -14.283 4.923 1.00 0.00 H new ATOM 0 HG LEU A 73 2.169 -14.809 2.461 1.00 0.00 H new ATOM 0 HD11 LEU A 73 0.605 -16.292 1.275 1.00 0.00 H new ATOM 0 HD12 LEU A 73 1.532 -17.165 2.518 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -0.162 -16.715 2.824 1.00 0.00 H new ATOM 0 HD21 LEU A 73 0.050 -13.902 1.579 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -0.734 -14.225 3.144 1.00 0.00 H new ATOM 0 HD23 LEU A 73 0.582 -13.032 3.037 1.00 0.00 H new ATOM 1065 N GLN A 74 3.708 -17.051 3.161 1.00 0.00 N ATOM 1066 CA GLN A 74 4.127 -18.351 2.638 1.00 0.00 C ATOM 1067 C GLN A 74 5.349 -18.872 3.399 1.00 0.00 C ATOM 1068 O GLN A 74 5.527 -20.081 3.548 1.00 0.00 O ATOM 1069 CB GLN A 74 4.436 -18.258 1.138 1.00 0.00 C ATOM 1070 CG GLN A 74 4.496 -19.611 0.444 1.00 0.00 C ATOM 1071 CD GLN A 74 3.278 -19.881 -0.426 1.00 0.00 C ATOM 1072 OE1 GLN A 74 3.406 -20.306 -1.574 1.00 0.00 O ATOM 1073 NE2 GLN A 74 2.090 -19.637 0.118 1.00 0.00 N ATOM 0 H GLN A 74 3.749 -16.289 2.484 1.00 0.00 H new ATOM 0 HA GLN A 74 3.305 -19.053 2.780 1.00 0.00 H new ATOM 0 HB2 GLN A 74 3.674 -17.645 0.656 1.00 0.00 H new ATOM 0 HB3 GLN A 74 5.389 -17.747 1.003 1.00 0.00 H new ATOM 0 HG2 GLN A 74 5.394 -19.659 -0.171 1.00 0.00 H new ATOM 0 HG3 GLN A 74 4.582 -20.396 1.195 1.00 0.00 H new ATOM 0 HE21 GLN A 74 2.029 -19.285 1.073 1.00 0.00 H new ATOM 0 HE22 GLN A 74 1.239 -19.802 -0.420 1.00 0.00 H new ATOM 1082 N SER A 75 6.182 -17.947 3.884 1.00 0.00 N ATOM 1083 CA SER A 75 7.383 -18.303 4.638 1.00 0.00 C ATOM 1084 C SER A 75 7.028 -18.723 6.063 1.00 0.00 C ATOM 1085 O SER A 75 7.456 -19.777 6.531 1.00 0.00 O ATOM 1086 CB SER A 75 8.360 -17.124 4.674 1.00 0.00 C ATOM 1087 OG SER A 75 9.652 -17.544 5.081 1.00 0.00 O ATOM 0 H SER A 75 6.044 -16.943 3.766 1.00 0.00 H new ATOM 0 HA SER A 75 7.858 -19.146 4.135 1.00 0.00 H new ATOM 0 HB2 SER A 75 8.418 -16.665 3.687 1.00 0.00 H new ATOM 0 HB3 SER A 75 7.989 -16.361 5.359 1.00 0.00 H new ATOM 0 HG SER A 75 10.257 -16.773 5.094 1.00 0.00 H new ATOM 1093 N ARG A 76 6.246 -17.888 6.752 1.00 0.00 N ATOM 1094 CA ARG A 76 5.840 -18.175 8.130 1.00 0.00 C ATOM 1095 C ARG A 76 4.872 -19.359 8.194 1.00 0.00 C ATOM 1096 O ARG A 76 4.888 -20.126 9.157 1.00 0.00 O ATOM 1097 CB ARG A 76 5.200 -16.939 8.772 1.00 0.00 C ATOM 1098 CG ARG A 76 5.522 -16.786 10.251 1.00 0.00 C ATOM 1099 CD ARG A 76 5.005 -15.466 10.801 1.00 0.00 C ATOM 1100 NE ARG A 76 4.521 -15.594 12.177 1.00 0.00 N ATOM 1101 CZ ARG A 76 4.294 -14.559 12.991 1.00 0.00 C ATOM 1102 NH1 ARG A 76 4.504 -13.312 12.575 1.00 0.00 N ATOM 1103 NH2 ARG A 76 3.852 -14.772 14.225 1.00 0.00 N ATOM 0 H ARG A 76 5.882 -17.011 6.380 1.00 0.00 H new ATOM 0 HA ARG A 76 6.738 -18.441 8.688 1.00 0.00 H new ATOM 0 HB2 ARG A 76 5.537 -16.049 8.241 1.00 0.00 H new ATOM 0 HB3 ARG A 76 4.118 -16.994 8.648 1.00 0.00 H new ATOM 0 HG2 ARG A 76 5.079 -17.612 10.808 1.00 0.00 H new ATOM 0 HG3 ARG A 76 6.601 -16.845 10.397 1.00 0.00 H new ATOM 0 HD2 ARG A 76 5.801 -14.722 10.765 1.00 0.00 H new ATOM 0 HD3 ARG A 76 4.198 -15.100 10.166 1.00 0.00 H new ATOM 0 HE ARG A 76 4.346 -16.532 12.537 1.00 0.00 H new ATOM 0 HH11 ARG A 76 4.841 -13.140 11.628 1.00 0.00 H new ATOM 0 HH12 ARG A 76 4.328 -12.528 13.204 1.00 0.00 H new ATOM 0 HH21 ARG A 76 3.686 -15.725 14.550 1.00 0.00 H new ATOM 0 HH22 ARG A 76 3.678 -13.983 14.848 1.00 0.00 H new ATOM 1117 N ALA A 77 4.036 -19.504 7.166 1.00 0.00 N ATOM 1118 CA ALA A 77 3.066 -20.599 7.108 1.00 0.00 C ATOM 1119 C ALA A 77 3.734 -21.925 6.727 1.00 0.00 C ATOM 1120 O ALA A 77 3.174 -22.994 6.971 1.00 0.00 O ATOM 1121 CB ALA A 77 1.951 -20.268 6.124 1.00 0.00 C ATOM 0 H ALA A 77 4.010 -18.877 6.362 1.00 0.00 H new ATOM 0 HA ALA A 77 2.639 -20.716 8.104 1.00 0.00 H new ATOM 0 HB1 ALA A 77 1.238 -21.092 6.092 1.00 0.00 H new ATOM 0 HB2 ALA A 77 1.442 -19.359 6.444 1.00 0.00 H new ATOM 0 HB3 ALA A 77 2.375 -20.116 5.131 1.00 0.00 H new ATOM 1127 N ARG A 78 4.929 -21.849 6.129 1.00 0.00 N ATOM 1128 CA ARG A 78 5.668 -23.045 5.718 1.00 0.00 C ATOM 1129 C ARG A 78 5.770 -24.057 6.867 1.00 0.00 C ATOM 1130 O ARG A 78 5.343 -25.202 6.724 1.00 0.00 O ATOM 1131 CB ARG A 78 7.066 -22.662 5.213 1.00 0.00 C ATOM 1132 CG ARG A 78 7.951 -23.851 4.874 1.00 0.00 C ATOM 1133 CD ARG A 78 9.379 -23.415 4.584 1.00 0.00 C ATOM 1134 NE ARG A 78 10.028 -24.274 3.594 1.00 0.00 N ATOM 1135 CZ ARG A 78 10.526 -25.484 3.866 1.00 0.00 C ATOM 1136 NH1 ARG A 78 10.454 -25.984 5.098 1.00 0.00 N ATOM 1137 NH2 ARG A 78 11.101 -26.194 2.902 1.00 0.00 N ATOM 0 H ARG A 78 5.404 -20.971 5.920 1.00 0.00 H new ATOM 0 HA ARG A 78 5.119 -23.518 4.904 1.00 0.00 H new ATOM 0 HB2 ARG A 78 6.962 -22.036 4.327 1.00 0.00 H new ATOM 0 HB3 ARG A 78 7.562 -22.058 5.973 1.00 0.00 H new ATOM 0 HG2 ARG A 78 7.946 -24.558 5.703 1.00 0.00 H new ATOM 0 HG3 ARG A 78 7.545 -24.373 4.007 1.00 0.00 H new ATOM 0 HD2 ARG A 78 9.377 -22.386 4.224 1.00 0.00 H new ATOM 0 HD3 ARG A 78 9.956 -23.428 5.509 1.00 0.00 H new ATOM 0 HE ARG A 78 10.105 -23.928 2.637 1.00 0.00 H new ATOM 0 HH11 ARG A 78 10.016 -25.443 5.843 1.00 0.00 H new ATOM 0 HH12 ARG A 78 10.837 -26.908 5.296 1.00 0.00 H new ATOM 0 HH21 ARG A 78 11.162 -25.815 1.957 1.00 0.00 H new ATOM 0 HH22 ARG A 78 11.482 -27.118 3.107 1.00 0.00 H new ATOM 1151 N PRO A 79 6.338 -23.652 8.024 1.00 0.00 N ATOM 1152 CA PRO A 79 6.482 -24.542 9.185 1.00 0.00 C ATOM 1153 C PRO A 79 5.137 -24.962 9.777 1.00 0.00 C ATOM 1154 O PRO A 79 4.937 -26.134 10.102 1.00 0.00 O ATOM 1155 CB PRO A 79 7.272 -23.701 10.195 1.00 0.00 C ATOM 1156 CG PRO A 79 7.038 -22.288 9.789 1.00 0.00 C ATOM 1157 CD PRO A 79 6.882 -22.306 8.295 1.00 0.00 C ATOM 0 HA PRO A 79 6.974 -25.476 8.913 1.00 0.00 H new ATOM 0 HB2 PRO A 79 6.927 -23.881 11.213 1.00 0.00 H new ATOM 0 HB3 PRO A 79 8.333 -23.948 10.169 1.00 0.00 H new ATOM 0 HG2 PRO A 79 6.146 -21.887 10.270 1.00 0.00 H new ATOM 0 HG3 PRO A 79 7.873 -21.653 10.086 1.00 0.00 H new ATOM 0 HD2 PRO A 79 6.206 -21.523 7.952 1.00 0.00 H new ATOM 0 HD3 PRO A 79 7.835 -22.148 7.790 1.00 0.00 H new ATOM 1165 N ALA A 80 4.216 -24.004 9.912 1.00 0.00 N ATOM 1166 CA ALA A 80 2.892 -24.282 10.465 1.00 0.00 C ATOM 1167 C ALA A 80 1.849 -24.395 9.358 1.00 0.00 C ATOM 1168 O ALA A 80 1.800 -25.392 8.638 1.00 0.00 O ATOM 1169 CB ALA A 80 2.493 -23.201 11.458 1.00 0.00 C ATOM 0 H ALA A 80 4.365 -23.031 9.646 1.00 0.00 H new ATOM 0 HA ALA A 80 2.939 -25.238 10.987 1.00 0.00 H new ATOM 0 HB1 ALA A 80 1.505 -23.423 11.860 1.00 0.00 H new ATOM 0 HB2 ALA A 80 3.217 -23.169 12.272 1.00 0.00 H new ATOM 0 HB3 ALA A 80 2.471 -22.235 10.954 1.00 0.00 H new TER 1175 ALA A 80 HETATM 1176 ZN ZN A 89 -2.341 -1.150 -8.294 1.00 1.00 ZN HETATM 1177 ZN ZN A 90 6.751 -9.366 3.512 1.00 1.00 ZN