USER MOD reduce.3.24.130724 H: found=0, std=0, add=599, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 598 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 Set 1.1: A 56 CYS SG : rot -100:sc= -14.7! USER MOD Set 1.2: A 61 HIS : no HE2:sc= -14.2! C(o=-34!,f=-32!) USER MOD Set 1.3: A 79 LYS NZ :NH3+ 140:sc= -4.75! (180deg=-0.939!) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 45:sc= 0.486 USER MOD Single : A 10 HIS : no HD1:sc= -3.44! K(o=-3.4!,f=-1.4) USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.0279 USER MOD Single : A 19 CYS SG : rot 180:sc= -2.32! USER MOD Single : A 24 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 25 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -7.87! C(o=-7.9!,f=-17!) USER MOD Single : A 33 MET CE :methyl -157:sc= -8.85! (180deg=-9.3!) USER MOD Single : A 34 GLN : amide:sc= -0.186 K(o=-0.19,f=-2.3) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 61:sc= -5.54! USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 MET CE :methyl -130:sc= -2.12! (180deg=-3.93!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot 30:sc= -0.48 USER MOD Single : A 75 TYR OH : rot 179:sc= -11.1! USER MOD ----------------------------------------------------------------- ATOM 65 N PHE A 5 -10.899 4.123 1.528 1.00 0.00 N ATOM 66 CA PHE A 5 -9.872 3.943 2.591 1.00 0.00 C ATOM 67 C PHE A 5 -10.558 3.646 3.924 1.00 0.00 C ATOM 68 O PHE A 5 -9.957 3.747 4.975 1.00 0.00 O ATOM 69 CB PHE A 5 -9.036 5.217 2.716 1.00 0.00 C ATOM 70 CG PHE A 5 -7.843 5.135 1.791 1.00 0.00 C ATOM 71 CD1 PHE A 5 -7.850 4.261 0.699 1.00 0.00 C ATOM 72 CD2 PHE A 5 -6.725 5.935 2.024 1.00 0.00 C ATOM 73 CE1 PHE A 5 -6.740 4.195 -0.152 1.00 0.00 C ATOM 74 CE2 PHE A 5 -5.625 5.865 1.162 1.00 0.00 C ATOM 75 CZ PHE A 5 -5.628 5.000 0.081 1.00 0.00 C ATOM 0 HA PHE A 5 -9.222 3.109 2.327 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -9.643 6.088 2.467 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -8.702 5.345 3.746 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -8.712 3.637 0.512 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -6.708 6.608 2.869 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -6.746 3.517 -0.993 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -4.765 6.492 1.342 1.00 0.00 H new ATOM 0 HZ PHE A 5 -4.773 4.950 -0.577 1.00 0.00 H new ATOM 85 N SER A 6 -11.811 3.281 3.889 1.00 0.00 N ATOM 86 CA SER A 6 -12.534 2.971 5.155 1.00 0.00 C ATOM 87 C SER A 6 -11.659 2.065 6.023 1.00 0.00 C ATOM 88 O SER A 6 -10.604 1.631 5.611 1.00 0.00 O ATOM 89 CB SER A 6 -13.847 2.257 4.832 1.00 0.00 C ATOM 90 OG SER A 6 -14.680 3.124 4.074 1.00 0.00 O ATOM 0 H SER A 6 -12.365 3.184 3.038 1.00 0.00 H new ATOM 0 HA SER A 6 -12.749 3.896 5.691 1.00 0.00 H new ATOM 0 HB2 SER A 6 -13.649 1.343 4.272 1.00 0.00 H new ATOM 0 HB3 SER A 6 -14.351 1.964 5.753 1.00 0.00 H new ATOM 0 HG SER A 6 -15.522 2.668 3.864 1.00 0.00 H new ATOM 96 N SER A 7 -12.084 1.772 7.222 1.00 0.00 N ATOM 97 CA SER A 7 -11.259 0.900 8.104 1.00 0.00 C ATOM 98 C SER A 7 -10.798 -0.327 7.309 1.00 0.00 C ATOM 99 O SER A 7 -11.576 -1.227 7.057 1.00 0.00 O ATOM 100 CB SER A 7 -12.104 0.442 9.295 1.00 0.00 C ATOM 101 OG SER A 7 -13.358 -0.034 8.824 1.00 0.00 O ATOM 0 H SER A 7 -12.962 2.097 7.627 1.00 0.00 H new ATOM 0 HA SER A 7 -10.391 1.454 8.462 1.00 0.00 H new ATOM 0 HB2 SER A 7 -11.585 -0.345 9.843 1.00 0.00 H new ATOM 0 HB3 SER A 7 -12.253 1.269 9.990 1.00 0.00 H new ATOM 0 HG SER A 7 -13.217 -0.615 8.047 1.00 0.00 H new ATOM 107 N PRO A 8 -9.542 -0.320 6.925 1.00 0.00 N ATOM 108 CA PRO A 8 -8.946 -1.418 6.141 1.00 0.00 C ATOM 109 C PRO A 8 -8.684 -2.632 7.035 1.00 0.00 C ATOM 110 O PRO A 8 -8.790 -2.560 8.243 1.00 0.00 O ATOM 111 CB PRO A 8 -7.636 -0.820 5.619 1.00 0.00 C ATOM 112 CG PRO A 8 -7.282 0.348 6.568 1.00 0.00 C ATOM 113 CD PRO A 8 -8.596 0.769 7.250 1.00 0.00 C ATOM 0 HA PRO A 8 -9.591 -1.772 5.337 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -6.843 -1.568 5.611 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -7.751 -0.467 4.594 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -6.543 0.037 7.307 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -6.848 1.180 6.014 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -8.468 0.877 8.327 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -8.950 1.729 6.873 1.00 0.00 H new ATOM 121 N ASP A 9 -8.338 -3.745 6.452 1.00 0.00 N ATOM 122 CA ASP A 9 -8.063 -4.958 7.270 1.00 0.00 C ATOM 123 C ASP A 9 -6.627 -4.897 7.791 1.00 0.00 C ATOM 124 O ASP A 9 -6.281 -5.529 8.770 1.00 0.00 O ATOM 125 CB ASP A 9 -8.238 -6.207 6.406 1.00 0.00 C ATOM 126 CG ASP A 9 -9.672 -6.266 5.877 1.00 0.00 C ATOM 127 OD1 ASP A 9 -10.456 -5.410 6.250 1.00 0.00 O ATOM 128 OD2 ASP A 9 -9.961 -7.166 5.106 1.00 0.00 O ATOM 0 H ASP A 9 -8.234 -3.867 5.445 1.00 0.00 H new ATOM 0 HA ASP A 9 -8.757 -4.999 8.109 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -7.533 -6.189 5.575 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -8.018 -7.100 6.991 1.00 0.00 H new ATOM 133 N HIS A 10 -5.786 -4.144 7.137 1.00 0.00 N ATOM 134 CA HIS A 10 -4.369 -4.043 7.582 1.00 0.00 C ATOM 135 C HIS A 10 -3.849 -2.632 7.303 1.00 0.00 C ATOM 136 O HIS A 10 -4.522 -1.832 6.695 1.00 0.00 O ATOM 137 CB HIS A 10 -3.537 -5.049 6.792 1.00 0.00 C ATOM 138 CG HIS A 10 -3.680 -6.411 7.409 1.00 0.00 C ATOM 139 ND1 HIS A 10 -2.626 -7.055 8.037 1.00 0.00 N ATOM 140 CD2 HIS A 10 -4.750 -7.265 7.501 1.00 0.00 C ATOM 141 CE1 HIS A 10 -3.081 -8.243 8.475 1.00 0.00 C ATOM 142 NE2 HIS A 10 -4.371 -8.422 8.175 1.00 0.00 N ATOM 0 H HIS A 10 -6.021 -3.593 6.311 1.00 0.00 H new ATOM 0 HA HIS A 10 -4.298 -4.252 8.649 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -3.865 -5.072 5.753 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -2.489 -4.748 6.789 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -5.737 -7.069 7.109 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -2.477 -8.965 9.005 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -4.952 -9.232 8.393 1.00 0.00 H new ATOM 150 N THR A 11 -2.658 -2.318 7.740 1.00 0.00 N ATOM 151 CA THR A 11 -2.107 -0.959 7.483 1.00 0.00 C ATOM 152 C THR A 11 -0.593 -1.051 7.269 1.00 0.00 C ATOM 153 O THR A 11 0.045 -2.010 7.658 1.00 0.00 O ATOM 154 CB THR A 11 -2.383 -0.070 8.687 1.00 0.00 C ATOM 155 OG1 THR A 11 -3.772 -0.097 8.986 1.00 0.00 O ATOM 156 CG2 THR A 11 -1.946 1.366 8.381 1.00 0.00 C ATOM 0 H THR A 11 -2.045 -2.944 8.263 1.00 0.00 H new ATOM 0 HA THR A 11 -2.578 -0.540 6.594 1.00 0.00 H new ATOM 0 HB THR A 11 -1.821 -0.438 9.546 1.00 0.00 H new ATOM 0 HG1 THR A 11 -3.951 0.474 9.762 1.00 0.00 H new ATOM 0 HG21 THR A 11 -2.145 1.999 9.246 1.00 0.00 H new ATOM 0 HG22 THR A 11 -0.879 1.382 8.158 1.00 0.00 H new ATOM 0 HG23 THR A 11 -2.502 1.740 7.521 1.00 0.00 H new ATOM 164 N LEU A 12 -0.015 -0.051 6.663 1.00 0.00 N ATOM 165 CA LEU A 12 1.462 -0.061 6.431 1.00 0.00 C ATOM 166 C LEU A 12 2.004 1.358 6.499 1.00 0.00 C ATOM 167 O LEU A 12 1.770 2.147 5.620 1.00 0.00 O ATOM 168 CB LEU A 12 1.775 -0.606 5.034 1.00 0.00 C ATOM 169 CG LEU A 12 3.241 -0.283 4.652 1.00 0.00 C ATOM 170 CD1 LEU A 12 4.158 -0.569 5.843 1.00 0.00 C ATOM 171 CD2 LEU A 12 3.663 -1.168 3.484 1.00 0.00 C ATOM 0 H LEU A 12 -0.501 0.776 6.317 1.00 0.00 H new ATOM 0 HA LEU A 12 1.921 -0.688 7.196 1.00 0.00 H new ATOM 0 HB2 LEU A 12 1.614 -1.684 5.011 1.00 0.00 H new ATOM 0 HB3 LEU A 12 1.096 -0.167 4.303 1.00 0.00 H new ATOM 0 HG LEU A 12 3.317 0.768 4.373 1.00 0.00 H new ATOM 0 HD11 LEU A 12 5.189 -0.341 5.572 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.860 0.051 6.689 1.00 0.00 H new ATOM 0 HD13 LEU A 12 4.080 -1.621 6.118 1.00 0.00 H new ATOM 0 HD21 LEU A 12 4.694 -0.944 3.212 1.00 0.00 H new ATOM 0 HD22 LEU A 12 3.584 -2.216 3.774 1.00 0.00 H new ATOM 0 HD23 LEU A 12 3.013 -0.978 2.630 1.00 0.00 H new ATOM 183 N ASP A 13 2.771 1.681 7.491 1.00 0.00 N ATOM 184 CA ASP A 13 3.355 3.045 7.526 1.00 0.00 C ATOM 185 C ASP A 13 4.554 3.035 6.581 1.00 0.00 C ATOM 186 O ASP A 13 5.284 2.066 6.520 1.00 0.00 O ATOM 187 CB ASP A 13 3.811 3.384 8.947 1.00 0.00 C ATOM 188 CG ASP A 13 4.624 4.680 8.927 1.00 0.00 C ATOM 189 OD1 ASP A 13 5.807 4.610 8.634 1.00 0.00 O ATOM 190 OD2 ASP A 13 4.051 5.720 9.206 1.00 0.00 O ATOM 0 H ASP A 13 3.018 1.072 8.271 1.00 0.00 H new ATOM 0 HA ASP A 13 2.622 3.793 7.222 1.00 0.00 H new ATOM 0 HB2 ASP A 13 2.946 3.495 9.601 1.00 0.00 H new ATOM 0 HB3 ASP A 13 4.414 2.570 9.351 1.00 0.00 H new ATOM 195 N ALA A 14 4.787 4.084 5.844 1.00 0.00 N ATOM 196 CA ALA A 14 5.961 4.070 4.930 1.00 0.00 C ATOM 197 C ALA A 14 6.540 5.485 4.878 1.00 0.00 C ATOM 198 O ALA A 14 7.307 5.882 3.997 1.00 0.00 O ATOM 199 CB ALA A 14 5.547 3.544 3.563 1.00 0.00 C ATOM 0 H ALA A 14 4.227 4.936 5.834 1.00 0.00 H new ATOM 0 HA ALA A 14 6.739 3.399 5.292 1.00 0.00 H new ATOM 0 HB1 ALA A 14 6.411 3.537 2.899 1.00 0.00 H new ATOM 0 HB2 ALA A 14 5.159 2.530 3.665 1.00 0.00 H new ATOM 0 HB3 ALA A 14 4.773 4.188 3.144 1.00 0.00 H new ATOM 205 N LEU A 15 6.186 6.226 5.881 1.00 0.00 N ATOM 206 CA LEU A 15 6.690 7.589 6.057 1.00 0.00 C ATOM 207 C LEU A 15 8.052 7.459 6.704 1.00 0.00 C ATOM 208 O LEU A 15 8.187 7.091 7.854 1.00 0.00 O ATOM 209 CB LEU A 15 5.753 8.352 6.963 1.00 0.00 C ATOM 210 CG LEU A 15 4.318 7.857 6.776 1.00 0.00 C ATOM 211 CD1 LEU A 15 3.358 8.769 7.531 1.00 0.00 C ATOM 212 CD2 LEU A 15 3.964 7.870 5.290 1.00 0.00 C ATOM 0 H LEU A 15 5.541 5.921 6.610 1.00 0.00 H new ATOM 0 HA LEU A 15 6.758 8.124 5.110 1.00 0.00 H new ATOM 0 HB2 LEU A 15 6.057 8.225 8.002 1.00 0.00 H new ATOM 0 HB3 LEU A 15 5.809 9.418 6.742 1.00 0.00 H new ATOM 0 HG LEU A 15 4.234 6.842 7.164 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.336 8.414 7.396 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.607 8.761 8.592 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.443 9.785 7.146 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.941 7.517 5.156 1.00 0.00 H new ATOM 0 HD22 LEU A 15 4.051 8.886 4.904 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.647 7.216 4.748 1.00 0.00 H new ATOM 224 N GLY A 16 9.057 7.693 5.943 1.00 0.00 N ATOM 225 CA GLY A 16 10.439 7.519 6.452 1.00 0.00 C ATOM 226 C GLY A 16 10.933 6.161 5.948 1.00 0.00 C ATOM 227 O GLY A 16 12.070 5.781 6.142 1.00 0.00 O ATOM 0 H GLY A 16 8.990 8.003 4.973 1.00 0.00 H new ATOM 0 HA2 GLY A 16 11.085 8.321 6.096 1.00 0.00 H new ATOM 0 HA3 GLY A 16 10.456 7.556 7.541 1.00 0.00 H new ATOM 231 N LEU A 17 10.070 5.440 5.267 1.00 0.00 N ATOM 232 CA LEU A 17 10.444 4.128 4.704 1.00 0.00 C ATOM 233 C LEU A 17 10.861 4.359 3.284 1.00 0.00 C ATOM 234 O LEU A 17 10.355 5.236 2.624 1.00 0.00 O ATOM 235 CB LEU A 17 9.236 3.198 4.674 1.00 0.00 C ATOM 236 CG LEU A 17 8.814 2.799 6.079 1.00 0.00 C ATOM 237 CD1 LEU A 17 8.150 1.432 6.000 1.00 0.00 C ATOM 238 CD2 LEU A 17 10.025 2.700 6.992 1.00 0.00 C ATOM 0 H LEU A 17 9.108 5.723 5.082 1.00 0.00 H new ATOM 0 HA LEU A 17 11.234 3.682 5.308 1.00 0.00 H new ATOM 0 HB2 LEU A 17 8.406 3.692 4.169 1.00 0.00 H new ATOM 0 HB3 LEU A 17 9.475 2.305 4.096 1.00 0.00 H new ATOM 0 HG LEU A 17 8.132 3.548 6.480 1.00 0.00 H new ATOM 0 HD11 LEU A 17 7.837 1.121 6.997 1.00 0.00 H new ATOM 0 HD12 LEU A 17 7.279 1.488 5.347 1.00 0.00 H new ATOM 0 HD13 LEU A 17 8.858 0.706 5.599 1.00 0.00 H new ATOM 0 HD21 LEU A 17 9.703 2.413 7.993 1.00 0.00 H new ATOM 0 HD22 LEU A 17 10.713 1.950 6.603 1.00 0.00 H new ATOM 0 HD23 LEU A 17 10.528 3.666 7.035 1.00 0.00 H new ATOM 250 N ARG A 18 11.750 3.590 2.785 1.00 0.00 N ATOM 251 CA ARG A 18 12.137 3.810 1.382 1.00 0.00 C ATOM 252 C ARG A 18 12.392 2.480 0.713 1.00 0.00 C ATOM 253 O ARG A 18 12.841 1.540 1.332 1.00 0.00 O ATOM 254 CB ARG A 18 13.360 4.697 1.329 1.00 0.00 C ATOM 255 CG ARG A 18 14.338 4.299 2.436 1.00 0.00 C ATOM 256 CD ARG A 18 15.769 4.602 1.987 1.00 0.00 C ATOM 257 NE ARG A 18 16.515 3.326 1.809 1.00 0.00 N ATOM 258 CZ ARG A 18 17.776 3.255 2.141 1.00 0.00 C ATOM 259 NH1 ARG A 18 18.123 3.308 3.397 1.00 0.00 N ATOM 260 NH2 ARG A 18 18.688 3.131 1.215 1.00 0.00 N ATOM 0 H ARG A 18 12.224 2.828 3.270 1.00 0.00 H new ATOM 0 HA ARG A 18 11.330 4.310 0.846 1.00 0.00 H new ATOM 0 HB2 ARG A 18 13.843 4.608 0.356 1.00 0.00 H new ATOM 0 HB3 ARG A 18 13.069 5.741 1.447 1.00 0.00 H new ATOM 0 HG2 ARG A 18 14.110 4.845 3.351 1.00 0.00 H new ATOM 0 HG3 ARG A 18 14.234 3.238 2.663 1.00 0.00 H new ATOM 0 HD2 ARG A 18 15.757 5.162 1.052 1.00 0.00 H new ATOM 0 HD3 ARG A 18 16.269 5.227 2.727 1.00 0.00 H new ATOM 0 HE ARG A 18 16.041 2.507 1.428 1.00 0.00 H new ATOM 0 HH11 ARG A 18 17.410 3.405 4.120 1.00 0.00 H new ATOM 0 HH12 ARG A 18 19.108 3.253 3.657 1.00 0.00 H new ATOM 0 HH21 ARG A 18 18.415 3.090 0.233 1.00 0.00 H new ATOM 0 HH22 ARG A 18 19.673 3.076 1.474 1.00 0.00 H new ATOM 274 N CYS A 19 12.102 2.389 -0.537 1.00 0.00 N ATOM 275 CA CYS A 19 12.310 1.093 -1.238 1.00 0.00 C ATOM 276 C CYS A 19 13.690 0.561 -0.886 1.00 0.00 C ATOM 277 O CYS A 19 14.637 1.318 -0.790 1.00 0.00 O ATOM 278 CB CYS A 19 12.204 1.309 -2.745 1.00 0.00 C ATOM 279 SG CYS A 19 12.818 -0.152 -3.624 1.00 0.00 S ATOM 0 H CYS A 19 11.731 3.146 -1.111 1.00 0.00 H new ATOM 0 HA CYS A 19 11.552 0.374 -0.929 1.00 0.00 H new ATOM 0 HB2 CYS A 19 11.167 1.501 -3.021 1.00 0.00 H new ATOM 0 HB3 CYS A 19 12.780 2.188 -3.036 1.00 0.00 H new ATOM 0 HG CYS A 19 12.722 0.041 -4.906 1.00 0.00 H new ATOM 285 N PRO A 20 13.776 -0.732 -0.711 1.00 0.00 N ATOM 286 CA PRO A 20 12.634 -1.674 -0.823 1.00 0.00 C ATOM 287 C PRO A 20 11.901 -1.842 0.522 1.00 0.00 C ATOM 288 O PRO A 20 11.036 -2.676 0.656 1.00 0.00 O ATOM 289 CB PRO A 20 13.318 -2.997 -1.157 1.00 0.00 C ATOM 290 CG PRO A 20 14.764 -2.884 -0.611 1.00 0.00 C ATOM 291 CD PRO A 20 15.058 -1.387 -0.413 1.00 0.00 C ATOM 0 HA PRO A 20 11.896 -1.334 -1.549 1.00 0.00 H new ATOM 0 HB2 PRO A 20 12.792 -3.834 -0.698 1.00 0.00 H new ATOM 0 HB3 PRO A 20 13.320 -3.174 -2.233 1.00 0.00 H new ATOM 0 HG2 PRO A 20 14.863 -3.424 0.331 1.00 0.00 H new ATOM 0 HG3 PRO A 20 15.475 -3.327 -1.309 1.00 0.00 H new ATOM 0 HD2 PRO A 20 15.387 -1.176 0.604 1.00 0.00 H new ATOM 0 HD3 PRO A 20 15.847 -1.043 -1.082 1.00 0.00 H new ATOM 299 N GLU A 21 12.300 -1.118 1.527 1.00 0.00 N ATOM 300 CA GLU A 21 11.691 -1.281 2.898 1.00 0.00 C ATOM 301 C GLU A 21 10.160 -1.185 2.932 1.00 0.00 C ATOM 302 O GLU A 21 9.519 -2.008 3.554 1.00 0.00 O ATOM 303 CB GLU A 21 12.279 -0.244 3.842 1.00 0.00 C ATOM 304 CG GLU A 21 13.711 -0.633 4.206 1.00 0.00 C ATOM 305 CD GLU A 21 13.888 -0.572 5.724 1.00 0.00 C ATOM 306 OE1 GLU A 21 14.148 0.509 6.226 1.00 0.00 O ATOM 307 OE2 GLU A 21 13.759 -1.605 6.358 1.00 0.00 O ATOM 0 H GLU A 21 13.030 -0.408 1.468 1.00 0.00 H new ATOM 0 HA GLU A 21 11.938 -2.295 3.214 1.00 0.00 H new ATOM 0 HB2 GLU A 21 12.267 0.739 3.371 1.00 0.00 H new ATOM 0 HB3 GLU A 21 11.671 -0.173 4.744 1.00 0.00 H new ATOM 0 HG2 GLU A 21 13.929 -1.638 3.844 1.00 0.00 H new ATOM 0 HG3 GLU A 21 14.417 0.041 3.720 1.00 0.00 H new ATOM 314 N PRO A 22 9.611 -0.202 2.293 1.00 0.00 N ATOM 315 CA PRO A 22 8.155 -0.010 2.272 1.00 0.00 C ATOM 316 C PRO A 22 7.553 -1.112 1.433 1.00 0.00 C ATOM 317 O PRO A 22 6.805 -1.944 1.904 1.00 0.00 O ATOM 318 CB PRO A 22 7.985 1.364 1.636 1.00 0.00 C ATOM 319 CG PRO A 22 9.288 1.653 0.864 1.00 0.00 C ATOM 320 CD PRO A 22 10.369 0.776 1.513 1.00 0.00 C ATOM 0 HA PRO A 22 7.666 -0.052 3.245 1.00 0.00 H new ATOM 0 HB2 PRO A 22 7.126 1.378 0.966 1.00 0.00 H new ATOM 0 HB3 PRO A 22 7.808 2.124 2.397 1.00 0.00 H new ATOM 0 HG2 PRO A 22 9.176 1.415 -0.194 1.00 0.00 H new ATOM 0 HG3 PRO A 22 9.553 2.709 0.927 1.00 0.00 H new ATOM 0 HD2 PRO A 22 10.993 0.291 0.762 1.00 0.00 H new ATOM 0 HD3 PRO A 22 11.033 1.364 2.147 1.00 0.00 H new ATOM 328 N VAL A 23 7.925 -1.154 0.201 1.00 0.00 N ATOM 329 CA VAL A 23 7.441 -2.244 -0.672 1.00 0.00 C ATOM 330 C VAL A 23 7.645 -3.564 0.073 1.00 0.00 C ATOM 331 O VAL A 23 6.967 -4.542 -0.173 1.00 0.00 O ATOM 332 CB VAL A 23 8.286 -2.266 -1.937 1.00 0.00 C ATOM 333 CG1 VAL A 23 7.817 -3.397 -2.851 1.00 0.00 C ATOM 334 CG2 VAL A 23 8.159 -0.928 -2.667 1.00 0.00 C ATOM 0 H VAL A 23 8.546 -0.479 -0.246 1.00 0.00 H new ATOM 0 HA VAL A 23 6.391 -2.099 -0.926 1.00 0.00 H new ATOM 0 HB VAL A 23 9.329 -2.430 -1.668 1.00 0.00 H new ATOM 0 HG11 VAL A 23 8.425 -3.409 -3.756 1.00 0.00 H new ATOM 0 HG12 VAL A 23 7.919 -4.350 -2.332 1.00 0.00 H new ATOM 0 HG13 VAL A 23 6.772 -3.239 -3.118 1.00 0.00 H new ATOM 0 HG21 VAL A 23 8.766 -0.948 -3.572 1.00 0.00 H new ATOM 0 HG22 VAL A 23 7.116 -0.756 -2.933 1.00 0.00 H new ATOM 0 HG23 VAL A 23 8.505 -0.124 -2.017 1.00 0.00 H new ATOM 344 N MET A 24 8.589 -3.596 0.984 1.00 0.00 N ATOM 345 CA MET A 24 8.851 -4.853 1.744 1.00 0.00 C ATOM 346 C MET A 24 7.770 -5.045 2.806 1.00 0.00 C ATOM 347 O MET A 24 7.290 -6.140 3.026 1.00 0.00 O ATOM 348 CB MET A 24 10.217 -4.764 2.423 1.00 0.00 C ATOM 349 CG MET A 24 11.312 -5.133 1.420 1.00 0.00 C ATOM 350 SD MET A 24 11.707 -6.892 1.581 1.00 0.00 S ATOM 351 CE MET A 24 11.397 -7.353 -0.142 1.00 0.00 C ATOM 0 H MET A 24 9.186 -2.807 1.231 1.00 0.00 H new ATOM 0 HA MET A 24 8.839 -5.699 1.056 1.00 0.00 H new ATOM 0 HB2 MET A 24 10.381 -3.755 2.802 1.00 0.00 H new ATOM 0 HB3 MET A 24 10.253 -5.436 3.280 1.00 0.00 H new ATOM 0 HG2 MET A 24 10.979 -4.915 0.405 1.00 0.00 H new ATOM 0 HG3 MET A 24 12.203 -4.531 1.600 1.00 0.00 H new ATOM 0 HE1 MET A 24 11.583 -8.419 -0.273 1.00 0.00 H new ATOM 0 HE2 MET A 24 10.361 -7.132 -0.397 1.00 0.00 H new ATOM 0 HE3 MET A 24 12.060 -6.786 -0.795 1.00 0.00 H new ATOM 361 N MET A 25 7.380 -3.992 3.467 1.00 0.00 N ATOM 362 CA MET A 25 6.331 -4.120 4.510 1.00 0.00 C ATOM 363 C MET A 25 5.069 -4.677 3.866 1.00 0.00 C ATOM 364 O MET A 25 4.436 -5.562 4.395 1.00 0.00 O ATOM 365 CB MET A 25 6.038 -2.751 5.120 1.00 0.00 C ATOM 366 CG MET A 25 6.980 -2.505 6.301 1.00 0.00 C ATOM 367 SD MET A 25 6.014 -2.034 7.756 1.00 0.00 S ATOM 368 CE MET A 25 6.032 -3.649 8.574 1.00 0.00 C ATOM 0 H MET A 25 7.743 -3.049 3.329 1.00 0.00 H new ATOM 0 HA MET A 25 6.673 -4.790 5.299 1.00 0.00 H new ATOM 0 HB2 MET A 25 6.168 -1.971 4.369 1.00 0.00 H new ATOM 0 HB3 MET A 25 5.001 -2.704 5.452 1.00 0.00 H new ATOM 0 HG2 MET A 25 7.559 -3.404 6.511 1.00 0.00 H new ATOM 0 HG3 MET A 25 7.692 -1.718 6.054 1.00 0.00 H new ATOM 0 HE1 MET A 25 5.481 -3.588 9.513 1.00 0.00 H new ATOM 0 HE2 MET A 25 5.564 -4.390 7.926 1.00 0.00 H new ATOM 0 HE3 MET A 25 7.062 -3.943 8.776 1.00 0.00 H new ATOM 378 N VAL A 26 4.697 -4.172 2.724 1.00 0.00 N ATOM 379 CA VAL A 26 3.477 -4.704 2.056 1.00 0.00 C ATOM 380 C VAL A 26 3.706 -6.166 1.706 1.00 0.00 C ATOM 381 O VAL A 26 2.787 -6.937 1.657 1.00 0.00 O ATOM 382 CB VAL A 26 3.194 -3.930 0.774 1.00 0.00 C ATOM 383 CG1 VAL A 26 2.043 -4.595 0.011 1.00 0.00 C ATOM 384 CG2 VAL A 26 2.790 -2.505 1.121 1.00 0.00 C ATOM 0 H VAL A 26 5.179 -3.422 2.228 1.00 0.00 H new ATOM 0 HA VAL A 26 2.627 -4.600 2.731 1.00 0.00 H new ATOM 0 HB VAL A 26 4.092 -3.925 0.156 1.00 0.00 H new ATOM 0 HG11 VAL A 26 1.844 -4.038 -0.905 1.00 0.00 H new ATOM 0 HG12 VAL A 26 2.317 -5.620 -0.239 1.00 0.00 H new ATOM 0 HG13 VAL A 26 1.149 -4.600 0.634 1.00 0.00 H new ATOM 0 HG21 VAL A 26 2.587 -1.951 0.205 1.00 0.00 H new ATOM 0 HG22 VAL A 26 1.893 -2.522 1.741 1.00 0.00 H new ATOM 0 HG23 VAL A 26 3.599 -2.020 1.667 1.00 0.00 H new ATOM 394 N ARG A 27 4.926 -6.549 1.448 1.00 0.00 N ATOM 395 CA ARG A 27 5.192 -7.979 1.097 1.00 0.00 C ATOM 396 C ARG A 27 4.859 -8.867 2.285 1.00 0.00 C ATOM 397 O ARG A 27 4.113 -9.806 2.175 1.00 0.00 O ATOM 398 CB ARG A 27 6.666 -8.185 0.766 1.00 0.00 C ATOM 399 CG ARG A 27 6.876 -8.052 -0.737 1.00 0.00 C ATOM 400 CD ARG A 27 6.415 -9.336 -1.431 1.00 0.00 C ATOM 401 NE ARG A 27 7.598 -10.061 -1.974 1.00 0.00 N ATOM 402 CZ ARG A 27 7.587 -10.500 -3.203 1.00 0.00 C ATOM 403 NH1 ARG A 27 7.077 -11.671 -3.472 1.00 0.00 N ATOM 404 NH2 ARG A 27 8.084 -9.768 -4.162 1.00 0.00 N ATOM 0 H ARG A 27 5.746 -5.942 1.464 1.00 0.00 H new ATOM 0 HA ARG A 27 4.577 -8.234 0.234 1.00 0.00 H new ATOM 0 HB2 ARG A 27 7.274 -7.451 1.295 1.00 0.00 H new ATOM 0 HB3 ARG A 27 6.991 -9.169 1.103 1.00 0.00 H new ATOM 0 HG2 ARG A 27 6.317 -7.198 -1.119 1.00 0.00 H new ATOM 0 HG3 ARG A 27 7.928 -7.866 -0.953 1.00 0.00 H new ATOM 0 HD2 ARG A 27 5.879 -9.971 -0.725 1.00 0.00 H new ATOM 0 HD3 ARG A 27 5.721 -9.097 -2.236 1.00 0.00 H new ATOM 0 HE ARG A 27 8.417 -10.214 -1.385 1.00 0.00 H new ATOM 0 HH11 ARG A 27 6.687 -12.242 -2.722 1.00 0.00 H new ATOM 0 HH12 ARG A 27 7.068 -12.015 -4.432 1.00 0.00 H new ATOM 0 HH21 ARG A 27 8.481 -8.852 -3.951 1.00 0.00 H new ATOM 0 HH22 ARG A 27 8.075 -10.111 -5.122 1.00 0.00 H new ATOM 418 N LYS A 28 5.427 -8.571 3.414 1.00 0.00 N ATOM 419 CA LYS A 28 5.171 -9.393 4.637 1.00 0.00 C ATOM 420 C LYS A 28 3.683 -9.351 4.946 1.00 0.00 C ATOM 421 O LYS A 28 3.055 -10.357 5.191 1.00 0.00 O ATOM 422 CB LYS A 28 5.956 -8.817 5.817 1.00 0.00 C ATOM 423 CG LYS A 28 7.448 -8.794 5.476 1.00 0.00 C ATOM 424 CD LYS A 28 8.267 -8.805 6.769 1.00 0.00 C ATOM 425 CE LYS A 28 8.878 -7.421 6.998 1.00 0.00 C ATOM 426 NZ LYS A 28 8.721 -7.040 8.430 1.00 0.00 N ATOM 0 H LYS A 28 6.066 -7.787 3.550 1.00 0.00 H new ATOM 0 HA LYS A 28 5.489 -10.422 4.468 1.00 0.00 H new ATOM 0 HB2 LYS A 28 5.608 -7.809 6.041 1.00 0.00 H new ATOM 0 HB3 LYS A 28 5.785 -9.419 6.709 1.00 0.00 H new ATOM 0 HG2 LYS A 28 7.705 -9.658 4.863 1.00 0.00 H new ATOM 0 HG3 LYS A 28 7.685 -7.905 4.891 1.00 0.00 H new ATOM 0 HD2 LYS A 28 7.632 -9.078 7.612 1.00 0.00 H new ATOM 0 HD3 LYS A 28 9.054 -9.556 6.707 1.00 0.00 H new ATOM 0 HE2 LYS A 28 9.933 -7.428 6.726 1.00 0.00 H new ATOM 0 HE3 LYS A 28 8.389 -6.686 6.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 9.136 -6.099 8.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 7.710 -7.018 8.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 9.207 -7.737 9.030 1.00 0.00 H new ATOM 440 N THR A 29 3.124 -8.183 4.902 1.00 0.00 N ATOM 441 CA THR A 29 1.672 -8.011 5.148 1.00 0.00 C ATOM 442 C THR A 29 0.927 -8.774 4.061 1.00 0.00 C ATOM 443 O THR A 29 -0.123 -9.343 4.272 1.00 0.00 O ATOM 444 CB THR A 29 1.391 -6.512 5.038 1.00 0.00 C ATOM 445 OG1 THR A 29 1.513 -5.910 6.318 1.00 0.00 O ATOM 446 CG2 THR A 29 0.002 -6.227 4.460 1.00 0.00 C ATOM 0 H THR A 29 3.625 -7.317 4.701 1.00 0.00 H new ATOM 0 HA THR A 29 1.358 -8.383 6.123 1.00 0.00 H new ATOM 0 HB THR A 29 2.124 -6.086 4.353 1.00 0.00 H new ATOM 0 HG1 THR A 29 1.334 -4.949 6.246 1.00 0.00 H new ATOM 0 HG21 THR A 29 -0.153 -5.150 4.400 1.00 0.00 H new ATOM 0 HG22 THR A 29 -0.073 -6.660 3.463 1.00 0.00 H new ATOM 0 HG23 THR A 29 -0.758 -6.668 5.105 1.00 0.00 H new ATOM 454 N VAL A 30 1.500 -8.795 2.900 1.00 0.00 N ATOM 455 CA VAL A 30 0.886 -9.520 1.765 1.00 0.00 C ATOM 456 C VAL A 30 0.997 -11.008 2.070 1.00 0.00 C ATOM 457 O VAL A 30 0.186 -11.815 1.661 1.00 0.00 O ATOM 458 CB VAL A 30 1.681 -9.183 0.497 1.00 0.00 C ATOM 459 CG1 VAL A 30 1.480 -10.266 -0.548 1.00 0.00 C ATOM 460 CG2 VAL A 30 1.220 -7.844 -0.089 1.00 0.00 C ATOM 0 H VAL A 30 2.383 -8.333 2.685 1.00 0.00 H new ATOM 0 HA VAL A 30 -0.158 -9.242 1.619 1.00 0.00 H new ATOM 0 HB VAL A 30 2.735 -9.117 0.767 1.00 0.00 H new ATOM 0 HG11 VAL A 30 2.049 -10.017 -1.444 1.00 0.00 H new ATOM 0 HG12 VAL A 30 1.825 -11.221 -0.153 1.00 0.00 H new ATOM 0 HG13 VAL A 30 0.422 -10.338 -0.798 1.00 0.00 H new ATOM 0 HG21 VAL A 30 1.796 -7.623 -0.988 1.00 0.00 H new ATOM 0 HG22 VAL A 30 0.161 -7.903 -0.342 1.00 0.00 H new ATOM 0 HG23 VAL A 30 1.375 -7.053 0.645 1.00 0.00 H new ATOM 470 N ARG A 31 2.008 -11.355 2.810 1.00 0.00 N ATOM 471 CA ARG A 31 2.222 -12.769 3.195 1.00 0.00 C ATOM 472 C ARG A 31 1.245 -13.113 4.312 1.00 0.00 C ATOM 473 O ARG A 31 0.816 -14.241 4.455 1.00 0.00 O ATOM 474 CB ARG A 31 3.651 -12.936 3.708 1.00 0.00 C ATOM 475 CG ARG A 31 4.649 -12.645 2.580 1.00 0.00 C ATOM 476 CD ARG A 31 6.009 -12.285 3.180 1.00 0.00 C ATOM 477 NE ARG A 31 7.037 -13.251 2.700 1.00 0.00 N ATOM 478 CZ ARG A 31 8.295 -13.061 2.989 1.00 0.00 C ATOM 479 NH1 ARG A 31 8.776 -11.849 3.045 1.00 0.00 N ATOM 480 NH2 ARG A 31 9.073 -14.082 3.223 1.00 0.00 N ATOM 0 H ARG A 31 2.707 -10.705 3.170 1.00 0.00 H new ATOM 0 HA ARG A 31 2.064 -13.425 2.339 1.00 0.00 H new ATOM 0 HB2 ARG A 31 3.827 -12.260 4.545 1.00 0.00 H new ATOM 0 HB3 ARG A 31 3.796 -13.950 4.081 1.00 0.00 H new ATOM 0 HG2 ARG A 31 4.745 -13.516 1.932 1.00 0.00 H new ATOM 0 HG3 ARG A 31 4.285 -11.825 1.961 1.00 0.00 H new ATOM 0 HD2 ARG A 31 6.287 -11.270 2.894 1.00 0.00 H new ATOM 0 HD3 ARG A 31 5.955 -12.306 4.268 1.00 0.00 H new ATOM 0 HE ARG A 31 6.757 -14.060 2.146 1.00 0.00 H new ATOM 0 HH11 ARG A 31 8.168 -11.050 2.863 1.00 0.00 H new ATOM 0 HH12 ARG A 31 9.760 -11.701 3.271 1.00 0.00 H new ATOM 0 HH21 ARG A 31 8.698 -15.030 3.180 1.00 0.00 H new ATOM 0 HH22 ARG A 31 10.056 -13.933 3.449 1.00 0.00 H new ATOM 494 N ASN A 32 0.883 -12.139 5.106 1.00 0.00 N ATOM 495 CA ASN A 32 -0.077 -12.413 6.213 1.00 0.00 C ATOM 496 C ASN A 32 -1.470 -11.933 5.803 1.00 0.00 C ATOM 497 O ASN A 32 -2.423 -12.053 6.548 1.00 0.00 O ATOM 498 CB ASN A 32 0.377 -11.698 7.492 1.00 0.00 C ATOM 499 CG ASN A 32 0.277 -10.179 7.320 1.00 0.00 C ATOM 500 OD1 ASN A 32 -0.508 -9.689 6.535 1.00 0.00 O ATOM 501 ND2 ASN A 32 1.047 -9.406 8.037 1.00 0.00 N ATOM 0 H ASN A 32 1.208 -11.175 5.036 1.00 0.00 H new ATOM 0 HA ASN A 32 -0.109 -13.485 6.410 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -0.240 -12.016 8.332 1.00 0.00 H new ATOM 0 HB3 ASN A 32 1.404 -11.977 7.727 1.00 0.00 H new ATOM 0 HD21 ASN A 32 0.988 -8.393 7.937 1.00 0.00 H new ATOM 0 HD22 ASN A 32 1.708 -9.815 8.698 1.00 0.00 H new ATOM 508 N MET A 33 -1.599 -11.398 4.617 1.00 0.00 N ATOM 509 CA MET A 33 -2.934 -10.923 4.159 1.00 0.00 C ATOM 510 C MET A 33 -3.658 -12.056 3.434 1.00 0.00 C ATOM 511 O MET A 33 -3.141 -13.144 3.276 1.00 0.00 O ATOM 512 CB MET A 33 -2.772 -9.744 3.195 1.00 0.00 C ATOM 513 CG MET A 33 -2.796 -8.429 3.972 1.00 0.00 C ATOM 514 SD MET A 33 -3.517 -7.133 2.935 1.00 0.00 S ATOM 515 CE MET A 33 -5.210 -7.773 2.903 1.00 0.00 C ATOM 0 H MET A 33 -0.839 -11.271 3.949 1.00 0.00 H new ATOM 0 HA MET A 33 -3.510 -10.606 5.028 1.00 0.00 H new ATOM 0 HB2 MET A 33 -1.833 -9.836 2.649 1.00 0.00 H new ATOM 0 HB3 MET A 33 -3.573 -9.754 2.456 1.00 0.00 H new ATOM 0 HG2 MET A 33 -3.378 -8.544 4.886 1.00 0.00 H new ATOM 0 HG3 MET A 33 -1.785 -8.151 4.270 1.00 0.00 H new ATOM 0 HE1 MET A 33 -5.728 -7.389 2.024 1.00 0.00 H new ATOM 0 HE2 MET A 33 -5.187 -8.862 2.864 1.00 0.00 H new ATOM 0 HE3 MET A 33 -5.737 -7.454 3.802 1.00 0.00 H new ATOM 525 N GLN A 34 -4.852 -11.797 2.987 1.00 0.00 N ATOM 526 CA GLN A 34 -5.631 -12.835 2.260 1.00 0.00 C ATOM 527 C GLN A 34 -6.338 -12.167 1.082 1.00 0.00 C ATOM 528 O GLN A 34 -6.630 -10.989 1.132 1.00 0.00 O ATOM 529 CB GLN A 34 -6.670 -13.449 3.200 1.00 0.00 C ATOM 530 CG GLN A 34 -5.962 -14.290 4.264 1.00 0.00 C ATOM 531 CD GLN A 34 -5.982 -13.546 5.600 1.00 0.00 C ATOM 532 OE1 GLN A 34 -6.093 -12.336 5.634 1.00 0.00 O ATOM 533 NE2 GLN A 34 -5.879 -14.223 6.711 1.00 0.00 N ATOM 0 H GLN A 34 -5.327 -10.901 3.095 1.00 0.00 H new ATOM 0 HA GLN A 34 -4.967 -13.623 1.903 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -7.257 -12.662 3.674 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -7.366 -14.069 2.635 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -6.456 -15.256 4.367 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -4.934 -14.488 3.961 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -5.786 -15.238 6.683 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -5.892 -13.737 7.608 1.00 0.00 H new ATOM 542 N PRO A 35 -6.593 -12.929 0.055 1.00 0.00 N ATOM 543 CA PRO A 35 -7.265 -12.414 -1.144 1.00 0.00 C ATOM 544 C PRO A 35 -8.725 -12.112 -0.826 1.00 0.00 C ATOM 545 O PRO A 35 -9.491 -12.967 -0.430 1.00 0.00 O ATOM 546 CB PRO A 35 -7.107 -13.536 -2.168 1.00 0.00 C ATOM 547 CG PRO A 35 -6.832 -14.825 -1.357 1.00 0.00 C ATOM 548 CD PRO A 35 -6.264 -14.367 0.001 1.00 0.00 C ATOM 0 HA PRO A 35 -6.847 -11.479 -1.518 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -8.008 -13.641 -2.772 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -6.286 -13.325 -2.853 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -7.747 -15.402 -1.221 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -6.123 -15.469 -1.878 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -6.718 -14.912 0.829 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -5.188 -14.534 0.061 1.00 0.00 H new ATOM 556 N GLY A 36 -9.081 -10.875 -0.962 1.00 0.00 N ATOM 557 CA GLY A 36 -10.457 -10.431 -0.639 1.00 0.00 C ATOM 558 C GLY A 36 -10.361 -9.549 0.604 1.00 0.00 C ATOM 559 O GLY A 36 -11.319 -9.365 1.328 1.00 0.00 O ATOM 0 H GLY A 36 -8.462 -10.134 -1.291 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -10.889 -9.877 -1.472 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -11.105 -11.288 -0.455 1.00 0.00 H new ATOM 563 N GLU A 37 -9.190 -9.014 0.862 1.00 0.00 N ATOM 564 CA GLU A 37 -9.010 -8.156 2.065 1.00 0.00 C ATOM 565 C GLU A 37 -8.500 -6.778 1.646 1.00 0.00 C ATOM 566 O GLU A 37 -8.378 -6.484 0.475 1.00 0.00 O ATOM 567 CB GLU A 37 -7.994 -8.810 2.999 1.00 0.00 C ATOM 568 CG GLU A 37 -8.718 -9.732 3.982 1.00 0.00 C ATOM 569 CD GLU A 37 -9.408 -10.859 3.211 1.00 0.00 C ATOM 570 OE1 GLU A 37 -8.813 -11.359 2.271 1.00 0.00 O ATOM 571 OE2 GLU A 37 -10.522 -11.202 3.574 1.00 0.00 O ATOM 0 H GLU A 37 -8.355 -9.138 0.289 1.00 0.00 H new ATOM 0 HA GLU A 37 -9.966 -8.044 2.577 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -7.266 -9.379 2.420 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -7.440 -8.045 3.543 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -8.008 -10.148 4.697 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -9.453 -9.166 4.554 1.00 0.00 H new ATOM 578 N THR A 38 -8.199 -5.927 2.590 1.00 0.00 N ATOM 579 CA THR A 38 -7.701 -4.573 2.225 1.00 0.00 C ATOM 580 C THR A 38 -6.536 -4.170 3.131 1.00 0.00 C ATOM 581 O THR A 38 -6.409 -4.625 4.250 1.00 0.00 O ATOM 582 CB THR A 38 -8.837 -3.561 2.364 1.00 0.00 C ATOM 583 OG1 THR A 38 -9.729 -3.988 3.385 1.00 0.00 O ATOM 584 CG2 THR A 38 -9.585 -3.462 1.034 1.00 0.00 C ATOM 0 H THR A 38 -8.276 -6.110 3.590 1.00 0.00 H new ATOM 0 HA THR A 38 -7.349 -4.591 1.194 1.00 0.00 H new ATOM 0 HB THR A 38 -8.431 -2.584 2.628 1.00 0.00 H new ATOM 0 HG1 THR A 38 -10.457 -3.338 3.476 1.00 0.00 H new ATOM 0 HG21 THR A 38 -10.397 -2.741 1.126 1.00 0.00 H new ATOM 0 HG22 THR A 38 -8.898 -3.136 0.253 1.00 0.00 H new ATOM 0 HG23 THR A 38 -9.994 -4.438 0.773 1.00 0.00 H new ATOM 592 N LEU A 39 -5.683 -3.314 2.638 1.00 0.00 N ATOM 593 CA LEU A 39 -4.510 -2.856 3.434 1.00 0.00 C ATOM 594 C LEU A 39 -4.260 -1.376 3.124 1.00 0.00 C ATOM 595 O LEU A 39 -3.937 -1.017 2.011 1.00 0.00 O ATOM 596 CB LEU A 39 -3.283 -3.677 3.024 1.00 0.00 C ATOM 597 CG LEU A 39 -2.007 -3.035 3.575 1.00 0.00 C ATOM 598 CD1 LEU A 39 -1.698 -3.612 4.953 1.00 0.00 C ATOM 599 CD2 LEU A 39 -0.845 -3.332 2.626 1.00 0.00 C ATOM 0 H LEU A 39 -5.751 -2.908 1.705 1.00 0.00 H new ATOM 0 HA LEU A 39 -4.697 -2.986 4.500 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -3.377 -4.696 3.399 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -3.226 -3.741 1.937 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.147 -1.957 3.659 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.789 -3.154 5.344 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.528 -3.405 5.629 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.555 -4.690 4.873 1.00 0.00 H new ATOM 0 HD21 LEU A 39 0.067 -2.877 3.013 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.707 -4.410 2.546 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -1.065 -2.921 1.641 1.00 0.00 H new ATOM 611 N LEU A 40 -4.389 -0.512 4.093 1.00 0.00 N ATOM 612 CA LEU A 40 -4.141 0.929 3.834 1.00 0.00 C ATOM 613 C LEU A 40 -2.657 1.194 4.047 1.00 0.00 C ATOM 614 O LEU A 40 -2.036 0.613 4.914 1.00 0.00 O ATOM 615 CB LEU A 40 -4.968 1.781 4.800 1.00 0.00 C ATOM 616 CG LEU A 40 -4.443 3.217 4.801 1.00 0.00 C ATOM 617 CD1 LEU A 40 -4.621 3.830 3.412 1.00 0.00 C ATOM 618 CD2 LEU A 40 -5.223 4.043 5.827 1.00 0.00 C ATOM 0 H LEU A 40 -4.655 -0.743 5.050 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.429 1.187 2.815 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -6.017 1.768 4.505 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.914 1.363 5.805 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.385 3.215 5.062 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.246 4.853 3.415 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.066 3.242 2.681 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -5.679 3.832 3.148 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.850 5.067 5.829 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -6.281 4.043 5.566 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -5.094 3.608 6.818 1.00 0.00 H new ATOM 630 N ILE A 41 -2.069 2.034 3.250 1.00 0.00 N ATOM 631 CA ILE A 41 -0.616 2.288 3.405 1.00 0.00 C ATOM 632 C ILE A 41 -0.317 3.782 3.330 1.00 0.00 C ATOM 633 O ILE A 41 -1.014 4.535 2.683 1.00 0.00 O ATOM 634 CB ILE A 41 0.122 1.577 2.271 1.00 0.00 C ATOM 635 CG1 ILE A 41 -0.491 0.180 2.075 1.00 0.00 C ATOM 636 CG2 ILE A 41 1.612 1.474 2.620 1.00 0.00 C ATOM 637 CD1 ILE A 41 0.503 -0.738 1.358 1.00 0.00 C ATOM 0 H ILE A 41 -2.528 2.553 2.502 1.00 0.00 H new ATOM 0 HA ILE A 41 -0.290 1.916 4.376 1.00 0.00 H new ATOM 0 HB ILE A 41 0.023 2.140 1.343 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -0.759 -0.246 3.042 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -1.410 0.257 1.495 1.00 0.00 H new ATOM 0 HG21 ILE A 41 2.141 0.967 1.813 1.00 0.00 H new ATOM 0 HG22 ILE A 41 2.025 2.474 2.752 1.00 0.00 H new ATOM 0 HG23 ILE A 41 1.731 0.907 3.543 1.00 0.00 H new ATOM 0 HD11 ILE A 41 0.057 -1.724 1.225 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.749 -0.317 0.383 1.00 0.00 H new ATOM 0 HD13 ILE A 41 1.411 -0.828 1.954 1.00 0.00 H new ATOM 649 N ILE A 42 0.744 4.209 3.953 1.00 0.00 N ATOM 650 CA ILE A 42 1.126 5.625 3.883 1.00 0.00 C ATOM 651 C ILE A 42 2.569 5.641 3.455 1.00 0.00 C ATOM 652 O ILE A 42 3.270 4.662 3.584 1.00 0.00 O ATOM 653 CB ILE A 42 0.985 6.292 5.241 1.00 0.00 C ATOM 654 CG1 ILE A 42 -0.330 5.837 5.879 1.00 0.00 C ATOM 655 CG2 ILE A 42 0.991 7.818 5.057 1.00 0.00 C ATOM 656 CD1 ILE A 42 -0.872 6.945 6.771 1.00 0.00 C ATOM 0 H ILE A 42 1.363 3.622 4.512 1.00 0.00 H new ATOM 0 HA ILE A 42 0.486 6.169 3.189 1.00 0.00 H new ATOM 0 HB ILE A 42 1.815 6.013 5.890 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -1.056 5.591 5.104 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -0.169 4.931 6.464 1.00 0.00 H new ATOM 0 HG21 ILE A 42 0.890 8.302 6.028 1.00 0.00 H new ATOM 0 HG22 ILE A 42 1.929 8.125 4.594 1.00 0.00 H new ATOM 0 HG23 ILE A 42 0.158 8.111 4.418 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -1.808 6.621 7.225 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -0.147 7.169 7.554 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -1.049 7.839 6.174 1.00 0.00 H new ATOM 668 N ALA A 43 3.025 6.720 2.945 1.00 0.00 N ATOM 669 CA ALA A 43 4.433 6.762 2.509 1.00 0.00 C ATOM 670 C ALA A 43 4.852 8.201 2.328 1.00 0.00 C ATOM 671 O ALA A 43 4.224 8.953 1.622 1.00 0.00 O ATOM 672 CB ALA A 43 4.582 6.013 1.183 1.00 0.00 C ATOM 0 H ALA A 43 2.493 7.579 2.807 1.00 0.00 H new ATOM 0 HA ALA A 43 5.064 6.288 3.261 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.623 6.045 0.862 1.00 0.00 H new ATOM 0 HB2 ALA A 43 4.275 4.976 1.315 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.955 6.484 0.426 1.00 0.00 H new ATOM 678 N ASP A 44 5.935 8.578 2.903 1.00 0.00 N ATOM 679 CA ASP A 44 6.409 9.955 2.696 1.00 0.00 C ATOM 680 C ASP A 44 7.570 9.839 1.740 1.00 0.00 C ATOM 681 O ASP A 44 7.883 10.750 0.998 1.00 0.00 O ATOM 682 CB ASP A 44 6.821 10.622 4.015 1.00 0.00 C ATOM 683 CG ASP A 44 8.103 10.011 4.581 1.00 0.00 C ATOM 684 OD1 ASP A 44 8.971 9.648 3.806 1.00 0.00 O ATOM 685 OD2 ASP A 44 8.199 9.931 5.794 1.00 0.00 O ATOM 0 H ASP A 44 6.515 7.997 3.508 1.00 0.00 H new ATOM 0 HA ASP A 44 5.621 10.591 2.293 1.00 0.00 H new ATOM 0 HB2 ASP A 44 6.968 11.690 3.853 1.00 0.00 H new ATOM 0 HB3 ASP A 44 6.016 10.518 4.743 1.00 0.00 H new ATOM 690 N ASP A 45 8.184 8.686 1.715 1.00 0.00 N ATOM 691 CA ASP A 45 9.290 8.484 0.762 1.00 0.00 C ATOM 692 C ASP A 45 8.717 8.654 -0.655 1.00 0.00 C ATOM 693 O ASP A 45 7.587 8.284 -0.904 1.00 0.00 O ATOM 694 CB ASP A 45 9.829 7.088 0.983 1.00 0.00 C ATOM 695 CG ASP A 45 10.532 6.563 -0.270 1.00 0.00 C ATOM 696 OD1 ASP A 45 11.710 6.842 -0.425 1.00 0.00 O ATOM 697 OD2 ASP A 45 9.887 5.883 -1.046 1.00 0.00 O ATOM 0 H ASP A 45 7.964 7.888 2.311 1.00 0.00 H new ATOM 0 HA ASP A 45 10.102 9.199 0.898 1.00 0.00 H new ATOM 0 HB2 ASP A 45 10.527 7.093 1.820 1.00 0.00 H new ATOM 0 HB3 ASP A 45 9.012 6.418 1.253 1.00 0.00 H new ATOM 702 N PRO A 46 9.491 9.235 -1.530 1.00 0.00 N ATOM 703 CA PRO A 46 9.060 9.496 -2.917 1.00 0.00 C ATOM 704 C PRO A 46 9.131 8.215 -3.741 1.00 0.00 C ATOM 705 O PRO A 46 8.529 8.095 -4.790 1.00 0.00 O ATOM 706 CB PRO A 46 10.076 10.524 -3.417 1.00 0.00 C ATOM 707 CG PRO A 46 11.328 10.376 -2.519 1.00 0.00 C ATOM 708 CD PRO A 46 10.865 9.675 -1.228 1.00 0.00 C ATOM 0 HA PRO A 46 8.032 9.850 -2.991 1.00 0.00 H new ATOM 0 HB2 PRO A 46 10.325 10.346 -4.463 1.00 0.00 H new ATOM 0 HB3 PRO A 46 9.670 11.534 -3.353 1.00 0.00 H new ATOM 0 HG2 PRO A 46 12.098 9.792 -3.022 1.00 0.00 H new ATOM 0 HG3 PRO A 46 11.762 11.351 -2.296 1.00 0.00 H new ATOM 0 HD2 PRO A 46 11.508 8.831 -0.980 1.00 0.00 H new ATOM 0 HD3 PRO A 46 10.888 10.354 -0.376 1.00 0.00 H new ATOM 716 N ALA A 47 9.874 7.264 -3.268 1.00 0.00 N ATOM 717 CA ALA A 47 10.012 5.976 -4.009 1.00 0.00 C ATOM 718 C ALA A 47 8.933 4.988 -3.561 1.00 0.00 C ATOM 719 O ALA A 47 8.844 3.889 -4.069 1.00 0.00 O ATOM 720 CB ALA A 47 11.395 5.378 -3.738 1.00 0.00 C ATOM 0 H ALA A 47 10.398 7.318 -2.394 1.00 0.00 H new ATOM 0 HA ALA A 47 9.895 6.167 -5.076 1.00 0.00 H new ATOM 0 HB1 ALA A 47 11.497 4.437 -4.279 1.00 0.00 H new ATOM 0 HB2 ALA A 47 12.164 6.074 -4.073 1.00 0.00 H new ATOM 0 HB3 ALA A 47 11.510 5.197 -2.669 1.00 0.00 H new ATOM 726 N THR A 48 8.115 5.358 -2.616 1.00 0.00 N ATOM 727 CA THR A 48 7.052 4.421 -2.152 1.00 0.00 C ATOM 728 C THR A 48 5.820 4.571 -3.041 1.00 0.00 C ATOM 729 O THR A 48 5.209 3.602 -3.444 1.00 0.00 O ATOM 730 CB THR A 48 6.671 4.747 -0.709 1.00 0.00 C ATOM 731 OG1 THR A 48 6.812 6.141 -0.485 1.00 0.00 O ATOM 732 CG2 THR A 48 7.580 3.981 0.247 1.00 0.00 C ATOM 0 H THR A 48 8.135 6.263 -2.146 1.00 0.00 H new ATOM 0 HA THR A 48 7.426 3.399 -2.208 1.00 0.00 H new ATOM 0 HB THR A 48 5.636 4.455 -0.534 1.00 0.00 H new ATOM 0 HG1 THR A 48 6.213 6.631 -1.086 1.00 0.00 H new ATOM 0 HG21 THR A 48 7.306 4.215 1.276 1.00 0.00 H new ATOM 0 HG22 THR A 48 7.468 2.910 0.076 1.00 0.00 H new ATOM 0 HG23 THR A 48 8.617 4.269 0.073 1.00 0.00 H new ATOM 740 N THR A 49 5.448 5.778 -3.352 1.00 0.00 N ATOM 741 CA THR A 49 4.252 5.973 -4.219 1.00 0.00 C ATOM 742 C THR A 49 4.443 5.165 -5.493 1.00 0.00 C ATOM 743 O THR A 49 3.498 4.726 -6.115 1.00 0.00 O ATOM 744 CB THR A 49 4.092 7.449 -4.605 1.00 0.00 C ATOM 745 OG1 THR A 49 4.788 7.693 -5.819 1.00 0.00 O ATOM 746 CG2 THR A 49 4.661 8.350 -3.513 1.00 0.00 C ATOM 0 H THR A 49 5.914 6.633 -3.048 1.00 0.00 H new ATOM 0 HA THR A 49 3.366 5.650 -3.673 1.00 0.00 H new ATOM 0 HB THR A 49 3.031 7.668 -4.729 1.00 0.00 H new ATOM 0 HG1 THR A 49 4.687 8.635 -6.070 1.00 0.00 H new ATOM 0 HG21 THR A 49 4.540 9.394 -3.803 1.00 0.00 H new ATOM 0 HG22 THR A 49 4.130 8.169 -2.578 1.00 0.00 H new ATOM 0 HG23 THR A 49 5.720 8.132 -3.377 1.00 0.00 H new ATOM 754 N ARG A 50 5.665 4.998 -5.907 1.00 0.00 N ATOM 755 CA ARG A 50 5.922 4.248 -7.171 1.00 0.00 C ATOM 756 C ARG A 50 6.276 2.780 -6.914 1.00 0.00 C ATOM 757 O ARG A 50 5.932 1.909 -7.688 1.00 0.00 O ATOM 758 CB ARG A 50 7.085 4.909 -7.906 1.00 0.00 C ATOM 759 CG ARG A 50 6.620 6.228 -8.526 1.00 0.00 C ATOM 760 CD ARG A 50 7.425 6.507 -9.796 1.00 0.00 C ATOM 761 NE ARG A 50 6.516 6.482 -10.975 1.00 0.00 N ATOM 762 CZ ARG A 50 7.009 6.524 -12.182 1.00 0.00 C ATOM 763 NH1 ARG A 50 7.323 7.671 -12.718 1.00 0.00 N ATOM 764 NH2 ARG A 50 7.191 5.418 -12.851 1.00 0.00 N ATOM 0 H ARG A 50 6.496 5.346 -5.429 1.00 0.00 H new ATOM 0 HA ARG A 50 5.008 4.273 -7.765 1.00 0.00 H new ATOM 0 HB2 ARG A 50 7.908 5.091 -7.215 1.00 0.00 H new ATOM 0 HB3 ARG A 50 7.462 4.244 -8.683 1.00 0.00 H new ATOM 0 HG2 ARG A 50 5.557 6.177 -8.761 1.00 0.00 H new ATOM 0 HG3 ARG A 50 6.750 7.043 -7.814 1.00 0.00 H new ATOM 0 HD2 ARG A 50 7.916 7.477 -9.722 1.00 0.00 H new ATOM 0 HD3 ARG A 50 8.210 5.760 -9.913 1.00 0.00 H new ATOM 0 HE ARG A 50 5.506 6.432 -10.839 1.00 0.00 H new ATOM 0 HH11 ARG A 50 7.183 8.534 -12.193 1.00 0.00 H new ATOM 0 HH12 ARG A 50 7.709 7.704 -13.662 1.00 0.00 H new ATOM 0 HH21 ARG A 50 6.948 4.521 -12.430 1.00 0.00 H new ATOM 0 HH22 ARG A 50 7.576 5.450 -13.795 1.00 0.00 H new ATOM 778 N ASP A 51 7.009 2.501 -5.881 1.00 0.00 N ATOM 779 CA ASP A 51 7.440 1.092 -5.632 1.00 0.00 C ATOM 780 C ASP A 51 6.438 0.306 -4.783 1.00 0.00 C ATOM 781 O ASP A 51 6.139 -0.834 -5.075 1.00 0.00 O ATOM 782 CB ASP A 51 8.787 1.115 -4.910 1.00 0.00 C ATOM 783 CG ASP A 51 9.856 1.690 -5.840 1.00 0.00 C ATOM 784 OD1 ASP A 51 10.342 0.951 -6.680 1.00 0.00 O ATOM 785 OD2 ASP A 51 10.171 2.859 -5.696 1.00 0.00 O ATOM 0 H ASP A 51 7.332 3.183 -5.194 1.00 0.00 H new ATOM 0 HA ASP A 51 7.509 0.593 -6.598 1.00 0.00 H new ATOM 0 HB2 ASP A 51 8.716 1.718 -4.004 1.00 0.00 H new ATOM 0 HB3 ASP A 51 9.063 0.107 -4.601 1.00 0.00 H new ATOM 790 N ILE A 52 5.943 0.870 -3.724 1.00 0.00 N ATOM 791 CA ILE A 52 4.996 0.101 -2.863 1.00 0.00 C ATOM 792 C ILE A 52 3.825 -0.429 -3.686 1.00 0.00 C ATOM 793 O ILE A 52 3.503 -1.599 -3.604 1.00 0.00 O ATOM 794 CB ILE A 52 4.508 0.987 -1.709 1.00 0.00 C ATOM 795 CG1 ILE A 52 5.446 0.801 -0.517 1.00 0.00 C ATOM 796 CG2 ILE A 52 3.078 0.612 -1.295 1.00 0.00 C ATOM 797 CD1 ILE A 52 4.819 1.420 0.734 1.00 0.00 C ATOM 0 H ILE A 52 6.147 1.820 -3.414 1.00 0.00 H new ATOM 0 HA ILE A 52 5.517 -0.759 -2.443 1.00 0.00 H new ATOM 0 HB ILE A 52 4.508 2.026 -2.037 1.00 0.00 H new ATOM 0 HG12 ILE A 52 5.636 -0.260 -0.353 1.00 0.00 H new ATOM 0 HG13 ILE A 52 6.409 1.269 -0.723 1.00 0.00 H new ATOM 0 HG21 ILE A 52 2.756 1.255 -0.476 1.00 0.00 H new ATOM 0 HG22 ILE A 52 2.407 0.743 -2.144 1.00 0.00 H new ATOM 0 HG23 ILE A 52 3.054 -0.428 -0.971 1.00 0.00 H new ATOM 0 HD11 ILE A 52 5.490 1.286 1.582 1.00 0.00 H new ATOM 0 HD12 ILE A 52 4.652 2.484 0.569 1.00 0.00 H new ATOM 0 HD13 ILE A 52 3.867 0.932 0.944 1.00 0.00 H new ATOM 809 N PRO A 53 3.221 0.423 -4.454 1.00 0.00 N ATOM 810 CA PRO A 53 2.090 0.022 -5.287 1.00 0.00 C ATOM 811 C PRO A 53 2.580 -0.798 -6.460 1.00 0.00 C ATOM 812 O PRO A 53 2.092 -1.872 -6.711 1.00 0.00 O ATOM 813 CB PRO A 53 1.478 1.335 -5.734 1.00 0.00 C ATOM 814 CG PRO A 53 2.574 2.412 -5.574 1.00 0.00 C ATOM 815 CD PRO A 53 3.604 1.844 -4.581 1.00 0.00 C ATOM 0 HA PRO A 53 1.365 -0.603 -4.765 1.00 0.00 H new ATOM 0 HB2 PRO A 53 1.144 1.274 -6.770 1.00 0.00 H new ATOM 0 HB3 PRO A 53 0.604 1.580 -5.131 1.00 0.00 H new ATOM 0 HG2 PRO A 53 3.042 2.635 -6.533 1.00 0.00 H new ATOM 0 HG3 PRO A 53 2.150 3.345 -5.202 1.00 0.00 H new ATOM 0 HD2 PRO A 53 4.622 1.952 -4.954 1.00 0.00 H new ATOM 0 HD3 PRO A 53 3.560 2.358 -3.621 1.00 0.00 H new ATOM 823 N GLY A 54 3.554 -0.322 -7.169 1.00 0.00 N ATOM 824 CA GLY A 54 4.063 -1.127 -8.303 1.00 0.00 C ATOM 825 C GLY A 54 4.324 -2.539 -7.795 1.00 0.00 C ATOM 826 O GLY A 54 4.296 -3.495 -8.544 1.00 0.00 O ATOM 0 H GLY A 54 4.015 0.575 -7.017 1.00 0.00 H new ATOM 0 HA2 GLY A 54 3.337 -1.142 -9.116 1.00 0.00 H new ATOM 0 HA3 GLY A 54 4.979 -0.689 -8.701 1.00 0.00 H new ATOM 830 N PHE A 55 4.554 -2.683 -6.516 1.00 0.00 N ATOM 831 CA PHE A 55 4.789 -4.042 -5.966 1.00 0.00 C ATOM 832 C PHE A 55 3.444 -4.770 -5.841 1.00 0.00 C ATOM 833 O PHE A 55 3.288 -5.876 -6.317 1.00 0.00 O ATOM 834 CB PHE A 55 5.472 -3.926 -4.593 1.00 0.00 C ATOM 835 CG PHE A 55 5.053 -5.075 -3.701 1.00 0.00 C ATOM 836 CD1 PHE A 55 5.005 -6.379 -4.207 1.00 0.00 C ATOM 837 CD2 PHE A 55 4.687 -4.826 -2.378 1.00 0.00 C ATOM 838 CE1 PHE A 55 4.589 -7.431 -3.389 1.00 0.00 C ATOM 839 CE2 PHE A 55 4.277 -5.881 -1.560 1.00 0.00 C ATOM 840 CZ PHE A 55 4.225 -7.183 -2.066 1.00 0.00 C ATOM 0 H PHE A 55 4.588 -1.923 -5.837 1.00 0.00 H new ATOM 0 HA PHE A 55 5.439 -4.610 -6.631 1.00 0.00 H new ATOM 0 HB2 PHE A 55 6.555 -3.928 -4.716 1.00 0.00 H new ATOM 0 HB3 PHE A 55 5.206 -2.978 -4.126 1.00 0.00 H new ATOM 0 HD1 PHE A 55 5.290 -6.572 -5.231 1.00 0.00 H new ATOM 0 HD2 PHE A 55 4.721 -3.820 -1.987 1.00 0.00 H new ATOM 0 HE1 PHE A 55 4.549 -8.437 -3.781 1.00 0.00 H new ATOM 0 HE2 PHE A 55 3.999 -5.690 -0.534 1.00 0.00 H new ATOM 0 HZ PHE A 55 3.903 -7.996 -1.433 1.00 0.00 H new ATOM 850 N CYS A 56 2.479 -4.174 -5.192 1.00 0.00 N ATOM 851 CA CYS A 56 1.173 -4.868 -5.039 1.00 0.00 C ATOM 852 C CYS A 56 0.631 -5.264 -6.406 1.00 0.00 C ATOM 853 O CYS A 56 0.042 -6.305 -6.565 1.00 0.00 O ATOM 854 CB CYS A 56 0.190 -3.936 -4.345 1.00 0.00 C ATOM 855 SG CYS A 56 0.527 -3.947 -2.568 1.00 0.00 S ATOM 0 H CYS A 56 2.539 -3.249 -4.767 1.00 0.00 H new ATOM 0 HA CYS A 56 1.309 -5.769 -4.440 1.00 0.00 H new ATOM 0 HB2 CYS A 56 0.286 -2.925 -4.741 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -0.834 -4.258 -4.537 1.00 0.00 H new ATOM 0 HG CYS A 56 -0.323 -4.727 -1.970 1.00 0.00 H new ATOM 861 N THR A 57 0.823 -4.446 -7.395 1.00 0.00 N ATOM 862 CA THR A 57 0.305 -4.794 -8.747 1.00 0.00 C ATOM 863 C THR A 57 1.043 -6.022 -9.286 1.00 0.00 C ATOM 864 O THR A 57 0.495 -6.813 -10.027 1.00 0.00 O ATOM 865 CB THR A 57 0.534 -3.619 -9.694 1.00 0.00 C ATOM 866 OG1 THR A 57 -0.022 -2.440 -9.129 1.00 0.00 O ATOM 867 CG2 THR A 57 -0.138 -3.913 -11.035 1.00 0.00 C ATOM 0 H THR A 57 1.314 -3.554 -7.330 1.00 0.00 H new ATOM 0 HA THR A 57 -0.760 -5.013 -8.677 1.00 0.00 H new ATOM 0 HB THR A 57 1.603 -3.475 -9.847 1.00 0.00 H new ATOM 0 HG1 THR A 57 0.126 -1.685 -9.736 1.00 0.00 H new ATOM 0 HG21 THR A 57 0.023 -3.076 -11.714 1.00 0.00 H new ATOM 0 HG22 THR A 57 0.290 -4.818 -11.466 1.00 0.00 H new ATOM 0 HG23 THR A 57 -1.208 -4.055 -10.882 1.00 0.00 H new ATOM 875 N PHE A 58 2.290 -6.171 -8.938 1.00 0.00 N ATOM 876 CA PHE A 58 3.078 -7.331 -9.446 1.00 0.00 C ATOM 877 C PHE A 58 2.675 -8.631 -8.737 1.00 0.00 C ATOM 878 O PHE A 58 2.780 -9.702 -9.300 1.00 0.00 O ATOM 879 CB PHE A 58 4.566 -7.068 -9.210 1.00 0.00 C ATOM 880 CG PHE A 58 5.378 -7.803 -10.249 1.00 0.00 C ATOM 881 CD1 PHE A 58 5.445 -9.201 -10.223 1.00 0.00 C ATOM 882 CD2 PHE A 58 6.065 -7.088 -11.237 1.00 0.00 C ATOM 883 CE1 PHE A 58 6.197 -9.884 -11.186 1.00 0.00 C ATOM 884 CE2 PHE A 58 6.817 -7.771 -12.201 1.00 0.00 C ATOM 885 CZ PHE A 58 6.884 -9.170 -12.175 1.00 0.00 C ATOM 0 H PHE A 58 2.800 -5.538 -8.322 1.00 0.00 H new ATOM 0 HA PHE A 58 2.875 -7.445 -10.511 1.00 0.00 H new ATOM 0 HB2 PHE A 58 4.770 -5.999 -9.263 1.00 0.00 H new ATOM 0 HB3 PHE A 58 4.850 -7.398 -8.211 1.00 0.00 H new ATOM 0 HD1 PHE A 58 4.916 -9.753 -9.460 1.00 0.00 H new ATOM 0 HD2 PHE A 58 6.015 -6.009 -11.256 1.00 0.00 H new ATOM 0 HE1 PHE A 58 6.247 -10.963 -11.166 1.00 0.00 H new ATOM 0 HE2 PHE A 58 7.345 -7.219 -12.964 1.00 0.00 H new ATOM 0 HZ PHE A 58 7.465 -9.697 -12.917 1.00 0.00 H new ATOM 895 N MET A 59 2.235 -8.565 -7.507 1.00 0.00 N ATOM 896 CA MET A 59 1.861 -9.827 -6.795 1.00 0.00 C ATOM 897 C MET A 59 0.395 -10.195 -7.049 1.00 0.00 C ATOM 898 O MET A 59 -0.119 -11.128 -6.465 1.00 0.00 O ATOM 899 CB MET A 59 2.095 -9.671 -5.300 1.00 0.00 C ATOM 900 CG MET A 59 3.507 -10.145 -4.943 1.00 0.00 C ATOM 901 SD MET A 59 3.702 -11.887 -5.401 1.00 0.00 S ATOM 902 CE MET A 59 4.601 -11.615 -6.948 1.00 0.00 C ATOM 0 H MET A 59 2.119 -7.706 -6.970 1.00 0.00 H new ATOM 0 HA MET A 59 2.489 -10.629 -7.183 1.00 0.00 H new ATOM 0 HB2 MET A 59 1.967 -8.628 -5.010 1.00 0.00 H new ATOM 0 HB3 MET A 59 1.356 -10.249 -4.745 1.00 0.00 H new ATOM 0 HG2 MET A 59 4.247 -9.537 -5.464 1.00 0.00 H new ATOM 0 HG3 MET A 59 3.684 -10.018 -3.875 1.00 0.00 H new ATOM 0 HE1 MET A 59 4.130 -12.186 -7.748 1.00 0.00 H new ATOM 0 HE2 MET A 59 4.581 -10.554 -7.199 1.00 0.00 H new ATOM 0 HE3 MET A 59 5.635 -11.940 -6.830 1.00 0.00 H new ATOM 912 N GLU A 60 -0.273 -9.483 -7.918 1.00 0.00 N ATOM 913 CA GLU A 60 -1.706 -9.804 -8.226 1.00 0.00 C ATOM 914 C GLU A 60 -2.632 -9.149 -7.198 1.00 0.00 C ATOM 915 O GLU A 60 -3.749 -9.580 -6.990 1.00 0.00 O ATOM 916 CB GLU A 60 -1.918 -11.320 -8.216 1.00 0.00 C ATOM 917 CG GLU A 60 -3.170 -11.668 -9.021 1.00 0.00 C ATOM 918 CD GLU A 60 -3.217 -13.177 -9.267 1.00 0.00 C ATOM 919 OE1 GLU A 60 -2.626 -13.903 -8.486 1.00 0.00 O ATOM 920 OE2 GLU A 60 -3.844 -13.579 -10.233 1.00 0.00 O ATOM 0 H GLU A 60 0.110 -8.689 -8.432 1.00 0.00 H new ATOM 0 HA GLU A 60 -1.943 -9.414 -9.216 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -1.049 -11.822 -8.641 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -2.022 -11.676 -7.191 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -4.062 -11.349 -8.482 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -3.164 -11.134 -9.971 1.00 0.00 H new ATOM 927 N HIS A 61 -2.183 -8.103 -6.568 1.00 0.00 N ATOM 928 CA HIS A 61 -3.025 -7.401 -5.572 1.00 0.00 C ATOM 929 C HIS A 61 -3.700 -6.220 -6.264 1.00 0.00 C ATOM 930 O HIS A 61 -3.425 -5.934 -7.412 1.00 0.00 O ATOM 931 CB HIS A 61 -2.134 -6.899 -4.441 1.00 0.00 C ATOM 932 CG HIS A 61 -1.323 -8.047 -3.919 1.00 0.00 C ATOM 933 ND1 HIS A 61 -1.571 -9.352 -4.307 1.00 0.00 N ATOM 934 CD2 HIS A 61 -0.263 -8.106 -3.050 1.00 0.00 C ATOM 935 CE1 HIS A 61 -0.680 -10.136 -3.682 1.00 0.00 C ATOM 936 NE2 HIS A 61 0.142 -9.429 -2.900 1.00 0.00 N ATOM 0 H HIS A 61 -1.255 -7.701 -6.705 1.00 0.00 H new ATOM 0 HA HIS A 61 -3.781 -8.071 -5.163 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -1.478 -6.106 -4.801 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -2.742 -6.472 -3.643 1.00 0.00 H new ATOM 0 HD1 HIS A 61 -2.299 -9.661 -4.951 1.00 0.00 H new ATOM 0 HD2 HIS A 61 0.188 -7.257 -2.558 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -0.632 -11.209 -3.797 1.00 0.00 H new ATOM 944 N GLU A 62 -4.590 -5.539 -5.602 1.00 0.00 N ATOM 945 CA GLU A 62 -5.268 -4.401 -6.273 1.00 0.00 C ATOM 946 C GLU A 62 -5.082 -3.114 -5.488 1.00 0.00 C ATOM 947 O GLU A 62 -5.180 -3.087 -4.282 1.00 0.00 O ATOM 948 CB GLU A 62 -6.760 -4.682 -6.369 1.00 0.00 C ATOM 949 CG GLU A 62 -7.069 -5.392 -7.688 1.00 0.00 C ATOM 950 CD GLU A 62 -7.760 -6.727 -7.401 1.00 0.00 C ATOM 951 OE1 GLU A 62 -8.928 -6.702 -7.048 1.00 0.00 O ATOM 952 OE2 GLU A 62 -7.110 -7.749 -7.540 1.00 0.00 O ATOM 0 H GLU A 62 -4.874 -5.718 -4.639 1.00 0.00 H new ATOM 0 HA GLU A 62 -4.828 -4.287 -7.264 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -7.078 -5.300 -5.529 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -7.320 -3.749 -6.308 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -7.709 -4.765 -8.309 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -6.148 -5.560 -8.247 1.00 0.00 H new ATOM 959 N LEU A 63 -4.882 -2.041 -6.184 1.00 0.00 N ATOM 960 CA LEU A 63 -4.763 -0.721 -5.516 1.00 0.00 C ATOM 961 C LEU A 63 -6.194 -0.246 -5.305 1.00 0.00 C ATOM 962 O LEU A 63 -6.851 0.182 -6.234 1.00 0.00 O ATOM 963 CB LEU A 63 -3.987 0.247 -6.428 1.00 0.00 C ATOM 964 CG LEU A 63 -4.406 1.703 -6.172 1.00 0.00 C ATOM 965 CD1 LEU A 63 -3.810 2.193 -4.851 1.00 0.00 C ATOM 966 CD2 LEU A 63 -3.890 2.582 -7.314 1.00 0.00 C ATOM 0 H LEU A 63 -4.794 -2.019 -7.200 1.00 0.00 H new ATOM 0 HA LEU A 63 -4.223 -0.775 -4.571 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -2.917 0.137 -6.253 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -4.167 -0.009 -7.472 1.00 0.00 H new ATOM 0 HG LEU A 63 -5.493 1.761 -6.119 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -4.112 3.226 -4.677 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -4.171 1.567 -4.035 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -2.723 2.136 -4.899 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -4.184 3.617 -7.138 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -2.803 2.517 -7.361 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -4.315 2.239 -8.257 1.00 0.00 H new ATOM 978 N VAL A 64 -6.716 -0.368 -4.119 1.00 0.00 N ATOM 979 CA VAL A 64 -8.112 0.019 -3.909 1.00 0.00 C ATOM 980 C VAL A 64 -8.265 1.548 -3.975 1.00 0.00 C ATOM 981 O VAL A 64 -9.128 2.044 -4.671 1.00 0.00 O ATOM 982 CB VAL A 64 -8.542 -0.559 -2.570 1.00 0.00 C ATOM 983 CG1 VAL A 64 -9.911 -0.044 -2.220 1.00 0.00 C ATOM 984 CG2 VAL A 64 -8.620 -2.080 -2.684 1.00 0.00 C ATOM 0 H VAL A 64 -6.228 -0.719 -3.295 1.00 0.00 H new ATOM 0 HA VAL A 64 -8.758 -0.376 -4.693 1.00 0.00 H new ATOM 0 HB VAL A 64 -7.823 -0.269 -1.804 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -10.221 -0.457 -1.260 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -9.885 1.044 -2.155 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -10.621 -0.345 -2.991 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -8.928 -2.501 -1.727 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -9.346 -2.351 -3.450 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -7.641 -2.475 -2.956 1.00 0.00 H new ATOM 994 N ALA A 65 -7.448 2.311 -3.291 1.00 0.00 N ATOM 995 CA ALA A 65 -7.611 3.802 -3.394 1.00 0.00 C ATOM 996 C ALA A 65 -6.257 4.512 -3.249 1.00 0.00 C ATOM 997 O ALA A 65 -5.506 4.254 -2.360 1.00 0.00 O ATOM 998 CB ALA A 65 -8.555 4.283 -2.290 1.00 0.00 C ATOM 0 H ALA A 65 -6.697 1.984 -2.683 1.00 0.00 H new ATOM 0 HA ALA A 65 -8.024 4.040 -4.374 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -8.676 5.364 -2.360 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -9.526 3.801 -2.405 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -8.136 4.028 -1.317 1.00 0.00 H new ATOM 1004 N LYS A 66 -5.912 5.404 -4.117 1.00 0.00 N ATOM 1005 CA LYS A 66 -4.604 6.072 -3.959 1.00 0.00 C ATOM 1006 C LYS A 66 -4.769 7.426 -3.297 1.00 0.00 C ATOM 1007 O LYS A 66 -5.833 8.012 -3.276 1.00 0.00 O ATOM 1008 CB LYS A 66 -3.979 6.274 -5.316 1.00 0.00 C ATOM 1009 CG LYS A 66 -4.379 5.128 -6.216 1.00 0.00 C ATOM 1010 CD LYS A 66 -5.641 5.489 -7.001 1.00 0.00 C ATOM 1011 CE LYS A 66 -5.276 5.741 -8.466 1.00 0.00 C ATOM 1012 NZ LYS A 66 -6.501 6.119 -9.225 1.00 0.00 N ATOM 0 H LYS A 66 -6.469 5.698 -4.919 1.00 0.00 H new ATOM 0 HA LYS A 66 -3.970 5.443 -3.335 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -4.306 7.221 -5.744 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -2.894 6.322 -5.227 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -3.567 4.897 -6.905 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -4.556 4.233 -5.620 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -6.370 4.681 -6.930 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -6.107 6.377 -6.573 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -4.533 6.535 -8.535 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -4.828 4.847 -8.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -6.254 6.290 -10.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -7.196 5.347 -9.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -6.910 6.984 -8.816 1.00 0.00 H new ATOM 1026 N GLU A 67 -3.700 7.924 -2.767 1.00 0.00 N ATOM 1027 CA GLU A 67 -3.729 9.246 -2.103 1.00 0.00 C ATOM 1028 C GLU A 67 -2.470 10.032 -2.481 1.00 0.00 C ATOM 1029 O GLU A 67 -1.370 9.694 -2.089 1.00 0.00 O ATOM 1030 CB GLU A 67 -3.775 9.042 -0.602 1.00 0.00 C ATOM 1031 CG GLU A 67 -5.229 8.994 -0.128 1.00 0.00 C ATOM 1032 CD GLU A 67 -5.727 10.417 0.134 1.00 0.00 C ATOM 1033 OE1 GLU A 67 -5.055 11.346 -0.285 1.00 0.00 O ATOM 1034 OE2 GLU A 67 -6.771 10.554 0.749 1.00 0.00 O ATOM 0 H GLU A 67 -2.790 7.464 -2.765 1.00 0.00 H new ATOM 0 HA GLU A 67 -4.609 9.804 -2.423 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -3.266 8.116 -0.336 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -3.246 9.852 -0.100 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -5.852 8.512 -0.881 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -5.307 8.397 0.780 1.00 0.00 H new ATOM 1041 N THR A 68 -2.625 11.081 -3.235 1.00 0.00 N ATOM 1042 CA THR A 68 -1.449 11.902 -3.643 1.00 0.00 C ATOM 1043 C THR A 68 -1.823 13.375 -3.508 1.00 0.00 C ATOM 1044 O THR A 68 -1.374 14.215 -4.261 1.00 0.00 O ATOM 1045 CB THR A 68 -1.089 11.596 -5.098 1.00 0.00 C ATOM 1046 OG1 THR A 68 -2.114 12.088 -5.950 1.00 0.00 O ATOM 1047 CG2 THR A 68 -0.947 10.086 -5.285 1.00 0.00 C ATOM 0 H THR A 68 -3.523 11.410 -3.590 1.00 0.00 H new ATOM 0 HA THR A 68 -0.592 11.671 -3.011 1.00 0.00 H new ATOM 0 HB THR A 68 -0.145 12.079 -5.348 1.00 0.00 H new ATOM 0 HG1 THR A 68 -1.885 11.895 -6.883 1.00 0.00 H new ATOM 0 HG21 THR A 68 -0.691 9.870 -6.322 1.00 0.00 H new ATOM 0 HG22 THR A 68 -0.160 9.711 -4.631 1.00 0.00 H new ATOM 0 HG23 THR A 68 -1.889 9.598 -5.035 1.00 0.00 H new ATOM 1055 N ASP A 69 -2.653 13.690 -2.550 1.00 0.00 N ATOM 1056 CA ASP A 69 -3.072 15.110 -2.362 1.00 0.00 C ATOM 1057 C ASP A 69 -1.974 15.887 -1.640 1.00 0.00 C ATOM 1058 O ASP A 69 -2.135 17.040 -1.289 1.00 0.00 O ATOM 1059 CB ASP A 69 -4.349 15.156 -1.530 1.00 0.00 C ATOM 1060 CG ASP A 69 -5.445 14.347 -2.227 1.00 0.00 C ATOM 1061 OD1 ASP A 69 -5.749 14.658 -3.367 1.00 0.00 O ATOM 1062 OD2 ASP A 69 -5.962 13.432 -1.608 1.00 0.00 O ATOM 0 H ASP A 69 -3.059 13.027 -1.890 1.00 0.00 H new ATOM 0 HA ASP A 69 -3.250 15.561 -3.338 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -4.162 14.752 -0.535 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -4.673 16.189 -1.399 1.00 0.00 H new ATOM 1067 N GLY A 70 -0.865 15.261 -1.419 1.00 0.00 N ATOM 1068 CA GLY A 70 0.254 15.919 -0.729 1.00 0.00 C ATOM 1069 C GLY A 70 0.749 15.013 0.375 1.00 0.00 C ATOM 1070 O GLY A 70 0.000 14.537 1.205 1.00 0.00 O ATOM 0 H GLY A 70 -0.686 14.296 -1.696 1.00 0.00 H new ATOM 0 HA2 GLY A 70 1.059 16.130 -1.433 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -0.068 16.875 -0.316 1.00 0.00 H new ATOM 1074 N LEU A 71 2.006 14.768 0.356 1.00 0.00 N ATOM 1075 CA LEU A 71 2.636 13.880 1.366 1.00 0.00 C ATOM 1076 C LEU A 71 1.960 14.047 2.735 1.00 0.00 C ATOM 1077 O LEU A 71 1.531 15.126 3.094 1.00 0.00 O ATOM 1078 CB LEU A 71 4.119 14.220 1.505 1.00 0.00 C ATOM 1079 CG LEU A 71 4.840 13.920 0.203 1.00 0.00 C ATOM 1080 CD1 LEU A 71 6.010 14.889 0.028 1.00 0.00 C ATOM 1081 CD2 LEU A 71 5.371 12.486 0.240 1.00 0.00 C ATOM 0 H LEU A 71 2.653 15.152 -0.333 1.00 0.00 H new ATOM 0 HA LEU A 71 2.518 12.850 1.031 1.00 0.00 H new ATOM 0 HB2 LEU A 71 4.238 15.272 1.763 1.00 0.00 H new ATOM 0 HB3 LEU A 71 4.560 13.641 2.317 1.00 0.00 H new ATOM 0 HG LEU A 71 4.147 14.035 -0.631 1.00 0.00 H new ATOM 0 HD11 LEU A 71 6.526 14.671 -0.907 1.00 0.00 H new ATOM 0 HD12 LEU A 71 5.635 15.912 0.006 1.00 0.00 H new ATOM 0 HD13 LEU A 71 6.704 14.775 0.860 1.00 0.00 H new ATOM 0 HD21 LEU A 71 5.890 12.266 -0.693 1.00 0.00 H new ATOM 0 HD22 LEU A 71 6.063 12.376 1.075 1.00 0.00 H new ATOM 0 HD23 LEU A 71 4.539 11.793 0.365 1.00 0.00 H new ATOM 1093 N PRO A 72 1.910 12.958 3.456 1.00 0.00 N ATOM 1094 CA PRO A 72 2.443 11.681 2.977 1.00 0.00 C ATOM 1095 C PRO A 72 1.410 11.023 2.064 1.00 0.00 C ATOM 1096 O PRO A 72 0.217 11.167 2.246 1.00 0.00 O ATOM 1097 CB PRO A 72 2.608 10.852 4.236 1.00 0.00 C ATOM 1098 CG PRO A 72 1.613 11.445 5.252 1.00 0.00 C ATOM 1099 CD PRO A 72 1.334 12.897 4.809 1.00 0.00 C ATOM 0 HA PRO A 72 3.373 11.786 2.418 1.00 0.00 H new ATOM 0 HB2 PRO A 72 2.394 9.801 4.045 1.00 0.00 H new ATOM 0 HB3 PRO A 72 3.630 10.906 4.610 1.00 0.00 H new ATOM 0 HG2 PRO A 72 0.691 10.864 5.274 1.00 0.00 H new ATOM 0 HG3 PRO A 72 2.029 11.421 6.259 1.00 0.00 H new ATOM 0 HD2 PRO A 72 0.266 13.117 4.801 1.00 0.00 H new ATOM 0 HD3 PRO A 72 1.803 13.618 5.478 1.00 0.00 H new ATOM 1107 N TYR A 73 1.861 10.300 1.097 1.00 0.00 N ATOM 1108 CA TYR A 73 0.925 9.615 0.166 1.00 0.00 C ATOM 1109 C TYR A 73 0.239 8.458 0.871 1.00 0.00 C ATOM 1110 O TYR A 73 0.697 7.985 1.888 1.00 0.00 O ATOM 1111 CB TYR A 73 1.683 8.991 -0.980 1.00 0.00 C ATOM 1112 CG TYR A 73 2.791 9.874 -1.443 1.00 0.00 C ATOM 1113 CD1 TYR A 73 2.532 10.976 -2.257 1.00 0.00 C ATOM 1114 CD2 TYR A 73 4.088 9.543 -1.093 1.00 0.00 C ATOM 1115 CE1 TYR A 73 3.590 11.761 -2.714 1.00 0.00 C ATOM 1116 CE2 TYR A 73 5.157 10.308 -1.554 1.00 0.00 C ATOM 1117 CZ TYR A 73 4.910 11.428 -2.366 1.00 0.00 C ATOM 1118 OH TYR A 73 5.963 12.192 -2.828 1.00 0.00 O ATOM 0 H TYR A 73 2.850 10.147 0.902 1.00 0.00 H new ATOM 0 HA TYR A 73 0.213 10.364 -0.181 1.00 0.00 H new ATOM 0 HB2 TYR A 73 2.089 8.028 -0.669 1.00 0.00 H new ATOM 0 HB3 TYR A 73 1.000 8.797 -1.807 1.00 0.00 H new ATOM 0 HD1 TYR A 73 1.517 11.220 -2.532 1.00 0.00 H new ATOM 0 HD2 TYR A 73 4.272 8.688 -0.460 1.00 0.00 H new ATOM 0 HE1 TYR A 73 3.395 12.623 -3.334 1.00 0.00 H new ATOM 0 HE2 TYR A 73 6.170 10.042 -1.289 1.00 0.00 H new ATOM 0 HH TYR A 73 5.667 13.118 -2.949 1.00 0.00 H new ATOM 1128 N ARG A 74 -0.816 7.946 0.302 1.00 0.00 N ATOM 1129 CA ARG A 74 -1.473 6.777 0.899 1.00 0.00 C ATOM 1130 C ARG A 74 -2.049 5.955 -0.218 1.00 0.00 C ATOM 1131 O ARG A 74 -2.390 6.456 -1.254 1.00 0.00 O ATOM 1132 CB ARG A 74 -2.566 7.201 1.853 1.00 0.00 C ATOM 1133 CG ARG A 74 -1.946 7.456 3.211 1.00 0.00 C ATOM 1134 CD ARG A 74 -2.730 8.543 3.949 1.00 0.00 C ATOM 1135 NE ARG A 74 -1.780 9.460 4.637 1.00 0.00 N ATOM 1136 CZ ARG A 74 -2.084 9.959 5.805 1.00 0.00 C ATOM 1137 NH1 ARG A 74 -3.312 10.316 6.062 1.00 0.00 N ATOM 1138 NH2 ARG A 74 -1.159 10.098 6.714 1.00 0.00 N ATOM 0 H ARG A 74 -1.245 8.297 -0.554 1.00 0.00 H new ATOM 0 HA ARG A 74 -0.749 6.195 1.470 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -3.060 8.101 1.487 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -3.329 6.425 1.924 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -1.943 6.537 3.797 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -0.907 7.762 3.094 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -3.347 9.102 3.246 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -3.405 8.090 4.675 1.00 0.00 H new ATOM 0 HE ARG A 74 -0.892 9.699 4.196 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -4.035 10.205 5.351 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -3.550 10.706 6.974 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -0.199 9.817 6.512 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -1.395 10.488 7.627 1.00 0.00 H new ATOM 1152 N TYR A 75 -2.158 4.697 -0.022 1.00 0.00 N ATOM 1153 CA TYR A 75 -2.702 3.847 -1.092 1.00 0.00 C ATOM 1154 C TYR A 75 -3.345 2.634 -0.473 1.00 0.00 C ATOM 1155 O TYR A 75 -2.708 1.891 0.249 1.00 0.00 O ATOM 1156 CB TYR A 75 -1.592 3.370 -2.012 1.00 0.00 C ATOM 1157 CG TYR A 75 -0.469 4.367 -2.049 1.00 0.00 C ATOM 1158 CD1 TYR A 75 -0.583 5.561 -2.762 1.00 0.00 C ATOM 1159 CD2 TYR A 75 0.704 4.057 -1.395 1.00 0.00 C ATOM 1160 CE1 TYR A 75 0.500 6.446 -2.821 1.00 0.00 C ATOM 1161 CE2 TYR A 75 1.791 4.937 -1.437 1.00 0.00 C ATOM 1162 CZ TYR A 75 1.691 6.132 -2.156 1.00 0.00 C ATOM 1163 OH TYR A 75 2.766 6.994 -2.223 1.00 0.00 O ATOM 0 H TYR A 75 -1.895 4.211 0.835 1.00 0.00 H new ATOM 0 HA TYR A 75 -3.425 4.428 -1.664 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -1.218 2.405 -1.669 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -1.985 3.220 -3.017 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -1.506 5.802 -3.268 1.00 0.00 H new ATOM 0 HD2 TYR A 75 0.785 3.130 -0.847 1.00 0.00 H new ATOM 0 HE1 TYR A 75 0.417 7.368 -3.378 1.00 0.00 H new ATOM 0 HE2 TYR A 75 2.705 4.694 -0.915 1.00 0.00 H new ATOM 0 HH TYR A 75 3.507 6.634 -1.692 1.00 0.00 H new ATOM 1173 N LEU A 76 -4.577 2.384 -0.757 1.00 0.00 N ATOM 1174 CA LEU A 76 -5.174 1.199 -0.190 1.00 0.00 C ATOM 1175 C LEU A 76 -4.902 0.074 -1.168 1.00 0.00 C ATOM 1176 O LEU A 76 -4.775 0.315 -2.352 1.00 0.00 O ATOM 1177 CB LEU A 76 -6.672 1.326 -0.061 1.00 0.00 C ATOM 1178 CG LEU A 76 -7.198 0.033 0.527 1.00 0.00 C ATOM 1179 CD1 LEU A 76 -6.901 -0.006 2.022 1.00 0.00 C ATOM 1180 CD2 LEU A 76 -8.684 -0.037 0.277 1.00 0.00 C ATOM 0 H LEU A 76 -5.180 2.951 -1.353 1.00 0.00 H new ATOM 0 HA LEU A 76 -4.758 1.029 0.803 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -6.930 2.169 0.579 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -7.125 1.515 -1.035 1.00 0.00 H new ATOM 0 HG LEU A 76 -6.712 -0.824 0.059 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -7.280 -0.937 2.444 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -5.824 0.053 2.181 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -7.386 0.838 2.512 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -9.080 -0.963 0.694 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -9.173 0.813 0.752 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -8.874 -0.012 -0.796 1.00 0.00 H new ATOM 1192 N ILE A 77 -4.823 -1.136 -0.733 1.00 0.00 N ATOM 1193 CA ILE A 77 -4.578 -2.208 -1.704 1.00 0.00 C ATOM 1194 C ILE A 77 -5.342 -3.464 -1.300 1.00 0.00 C ATOM 1195 O ILE A 77 -4.999 -4.130 -0.345 1.00 0.00 O ATOM 1196 CB ILE A 77 -3.083 -2.481 -1.728 1.00 0.00 C ATOM 1197 CG1 ILE A 77 -2.351 -1.141 -1.868 1.00 0.00 C ATOM 1198 CG2 ILE A 77 -2.743 -3.403 -2.901 1.00 0.00 C ATOM 1199 CD1 ILE A 77 -0.913 -1.364 -2.336 1.00 0.00 C ATOM 0 H ILE A 77 -4.916 -1.426 0.240 1.00 0.00 H new ATOM 0 HA ILE A 77 -4.921 -1.911 -2.695 1.00 0.00 H new ATOM 0 HB ILE A 77 -2.772 -2.974 -0.807 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -2.877 -0.505 -2.580 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -2.352 -0.618 -0.912 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -1.670 -3.595 -2.913 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -3.279 -4.345 -2.790 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -3.037 -2.926 -3.836 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -0.408 -0.403 -2.430 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -0.385 -1.982 -1.609 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -0.919 -1.867 -3.303 1.00 0.00 H new ATOM 1211 N ARG A 78 -6.382 -3.798 -2.021 1.00 0.00 N ATOM 1212 CA ARG A 78 -7.151 -5.019 -1.657 1.00 0.00 C ATOM 1213 C ARG A 78 -6.317 -6.254 -2.017 1.00 0.00 C ATOM 1214 O ARG A 78 -6.155 -6.592 -3.173 1.00 0.00 O ATOM 1215 CB ARG A 78 -8.472 -5.041 -2.434 1.00 0.00 C ATOM 1216 CG ARG A 78 -9.081 -6.446 -2.390 1.00 0.00 C ATOM 1217 CD ARG A 78 -10.363 -6.472 -3.225 1.00 0.00 C ATOM 1218 NE ARG A 78 -11.373 -5.565 -2.612 1.00 0.00 N ATOM 1219 CZ ARG A 78 -12.551 -6.025 -2.285 1.00 0.00 C ATOM 1220 NH1 ARG A 78 -12.656 -7.170 -1.670 1.00 0.00 N ATOM 1221 NH2 ARG A 78 -13.623 -5.339 -2.575 1.00 0.00 N ATOM 0 H ARG A 78 -6.726 -3.285 -2.833 1.00 0.00 H new ATOM 0 HA ARG A 78 -7.366 -5.020 -0.589 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -9.168 -4.320 -2.005 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -8.300 -4.742 -3.468 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -8.368 -7.175 -2.775 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -9.299 -6.727 -1.360 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -10.150 -6.159 -4.247 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -10.755 -7.488 -3.278 1.00 0.00 H new ATOM 0 HE ARG A 78 -11.145 -4.585 -2.448 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -11.818 -7.706 -1.444 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -13.576 -7.529 -1.415 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -13.541 -4.444 -3.057 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -14.543 -5.698 -2.320 1.00 0.00 H new ATOM 1235 N LYS A 79 -5.792 -6.935 -1.028 1.00 0.00 N ATOM 1236 CA LYS A 79 -4.977 -8.150 -1.309 1.00 0.00 C ATOM 1237 C LYS A 79 -5.808 -9.080 -2.180 1.00 0.00 C ATOM 1238 O LYS A 79 -7.003 -9.188 -1.997 1.00 0.00 O ATOM 1239 CB LYS A 79 -4.641 -8.856 0.003 1.00 0.00 C ATOM 1240 CG LYS A 79 -3.462 -9.819 -0.205 1.00 0.00 C ATOM 1241 CD LYS A 79 -2.279 -9.094 -0.862 1.00 0.00 C ATOM 1242 CE LYS A 79 -1.911 -7.839 -0.061 1.00 0.00 C ATOM 1243 NZ LYS A 79 -1.663 -6.707 -0.997 1.00 0.00 N ATOM 0 H LYS A 79 -5.894 -6.700 -0.041 1.00 0.00 H new ATOM 0 HA LYS A 79 -4.050 -7.876 -1.813 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -4.390 -8.121 0.767 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -5.511 -9.405 0.363 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -3.153 -10.236 0.754 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -3.775 -10.655 -0.830 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -1.420 -9.763 -0.918 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -2.536 -8.818 -1.885 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -2.717 -7.585 0.628 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -1.023 -8.027 0.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -2.067 -5.834 -0.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -0.639 -6.585 -1.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -2.109 -6.911 -1.914 1.00 0.00 H new