USER MOD reduce.3.24.130724 H: found=0, std=0, add=549, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 548 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 48 GLN : amide:sc= -0.687! C(o=-3.5!,f=-4.1!) USER MOD Set 1.2: A 52 ASN : amide:sc= -2.78! C(o=-3.5!,f=-4.1!) USER MOD Set 2.1: A 25 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.197) USER MOD Set 2.2: A 50 TYR OH : rot 180:sc= -0.313 USER MOD Single : A 13 MET CE :methyl 152:sc= -0.192 (180deg=-1.22) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= -0.045 K(o=-0.045,f=-1.3!) USER MOD Single : A 24 GLN :FLIP amide:sc= -1.6 F(o=-2.5!,f=-1.6) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 30 HIS : no HE2:sc= -3.59! C(o=-3.6!,f=-7.1!) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot -11:sc= 1.1 USER MOD Single : A 43 SER OG : rot -101:sc= -0.0297 USER MOD Single : A 49 LYS NZ :NH3+ -153:sc= -0.388 (180deg=-1.42!) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot -125:sc= -1.53 USER MOD Single : A 57 HIS : no HD1:sc= -1.57 K(o=-1.6,f=-2.1!) USER MOD Single : A 59 ASN :FLIP amide:sc= -0.246 F(o=-1.1,f=-0.25) USER MOD Single : A 60 SER OG : rot 180:sc= -0.038 USER MOD Single : A 61 THR OG1 : rot 81:sc= 0.688 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 16:sc= 0.436 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 13 59.620 3.427 13.665 1.00 1.00 N ATOM 2 CA MET A 13 58.346 3.721 12.951 1.00 1.00 C ATOM 3 C MET A 13 58.653 4.432 11.637 1.00 1.00 C ATOM 4 O MET A 13 57.853 4.398 10.706 1.00 1.00 O ATOM 5 CB MET A 13 57.468 4.616 13.828 1.00 1.00 C ATOM 6 CG MET A 13 56.093 4.781 13.177 1.00 1.00 C ATOM 7 SD MET A 13 55.044 5.812 14.234 1.00 1.00 S ATOM 8 CE MET A 13 55.970 7.358 14.055 1.00 1.00 C ATOM 0 HA MET A 13 57.819 2.790 12.743 1.00 1.00 H new ATOM 0 HB2 MET A 13 57.362 4.178 14.821 1.00 1.00 H new ATOM 0 HB3 MET A 13 57.939 5.590 13.958 1.00 1.00 H new ATOM 0 HG2 MET A 13 56.197 5.238 12.193 1.00 1.00 H new ATOM 0 HG3 MET A 13 55.630 3.806 13.028 1.00 1.00 H new ATOM 0 HE1 MET A 13 55.294 8.204 14.183 1.00 1.00 H new ATOM 0 HE2 MET A 13 56.754 7.402 14.811 1.00 1.00 H new ATOM 0 HE3 MET A 13 56.420 7.400 13.063 1.00 1.00 H new ATOM 18 N ARG A 14 59.819 5.063 11.566 1.00 1.00 N ATOM 19 CA ARG A 14 60.237 5.780 10.382 1.00 1.00 C ATOM 20 C ARG A 14 59.875 5.014 9.109 1.00 1.00 C ATOM 21 O ARG A 14 59.706 5.609 8.045 1.00 1.00 O ATOM 22 CB ARG A 14 61.735 5.988 10.454 1.00 1.00 C ATOM 23 CG ARG A 14 62.155 6.865 9.297 1.00 1.00 C ATOM 24 CD ARG A 14 63.641 7.155 9.410 1.00 1.00 C ATOM 25 NE ARG A 14 63.903 8.023 10.552 1.00 1.00 N ATOM 26 CZ ARG A 14 65.145 8.296 10.937 1.00 1.00 C ATOM 27 NH1 ARG A 14 66.156 7.783 10.291 1.00 1.00 N ATOM 28 NH2 ARG A 14 65.354 9.077 11.962 1.00 1.00 N ATOM 0 H ARG A 14 60.495 5.088 12.329 1.00 1.00 H new ATOM 0 HA ARG A 14 59.720 6.739 10.344 1.00 1.00 H new ATOM 0 HB2 ARG A 14 62.007 6.454 11.401 1.00 1.00 H new ATOM 0 HB3 ARG A 14 62.253 5.030 10.410 1.00 1.00 H new ATOM 0 HG2 ARG A 14 61.939 6.369 8.351 1.00 1.00 H new ATOM 0 HG3 ARG A 14 61.588 7.796 9.305 1.00 1.00 H new ATOM 0 HD2 ARG A 14 64.193 6.222 9.520 1.00 1.00 H new ATOM 0 HD3 ARG A 14 63.996 7.629 8.495 1.00 1.00 H new ATOM 0 HE ARG A 14 63.119 8.428 11.064 1.00 1.00 H new ATOM 0 HH11 ARG A 14 65.993 7.172 9.490 1.00 1.00 H new ATOM 0 HH12 ARG A 14 67.109 7.993 10.587 1.00 1.00 H new ATOM 0 HH21 ARG A 14 64.564 9.478 12.467 1.00 1.00 H new ATOM 0 HH22 ARG A 14 66.308 9.286 12.257 1.00 1.00 H new ATOM 42 N ILE A 15 59.764 3.696 9.226 1.00 1.00 N ATOM 43 CA ILE A 15 59.428 2.847 8.076 1.00 1.00 C ATOM 44 C ILE A 15 58.342 3.523 7.239 1.00 1.00 C ATOM 45 O ILE A 15 58.478 3.686 6.026 1.00 1.00 O ATOM 46 CB ILE A 15 58.946 1.447 8.561 1.00 1.00 C ATOM 47 CG1 ILE A 15 59.182 1.312 10.076 1.00 1.00 C ATOM 48 CG2 ILE A 15 59.728 0.332 7.839 1.00 1.00 C ATOM 49 CD1 ILE A 15 58.773 -0.088 10.555 1.00 1.00 C ATOM 0 H ILE A 15 59.900 3.188 10.100 1.00 1.00 H new ATOM 0 HA ILE A 15 60.317 2.710 7.461 1.00 1.00 H new ATOM 0 HB ILE A 15 57.884 1.351 8.337 1.00 1.00 H new ATOM 0 HG12 ILE A 15 60.233 1.490 10.305 1.00 1.00 H new ATOM 0 HG13 ILE A 15 58.607 2.069 10.610 1.00 1.00 H new ATOM 0 HG21 ILE A 15 59.381 -0.640 8.188 1.00 1.00 H new ATOM 0 HG22 ILE A 15 59.566 0.411 6.764 1.00 1.00 H new ATOM 0 HG23 ILE A 15 60.792 0.436 8.054 1.00 1.00 H new ATOM 0 HD11 ILE A 15 58.945 -0.170 11.628 1.00 1.00 H new ATOM 0 HD12 ILE A 15 57.716 -0.251 10.343 1.00 1.00 H new ATOM 0 HD13 ILE A 15 59.367 -0.839 10.034 1.00 1.00 H new ATOM 61 N TYR A 16 57.280 3.928 7.913 1.00 1.00 N ATOM 62 CA TYR A 16 56.170 4.607 7.252 1.00 1.00 C ATOM 63 C TYR A 16 56.717 5.784 6.446 1.00 1.00 C ATOM 64 O TYR A 16 56.395 5.951 5.271 1.00 1.00 O ATOM 65 CB TYR A 16 55.141 5.068 8.336 1.00 1.00 C ATOM 66 CG TYR A 16 55.257 6.567 8.642 1.00 1.00 C ATOM 67 CD1 TYR A 16 56.166 7.024 9.620 1.00 1.00 C ATOM 68 CD2 TYR A 16 54.461 7.504 7.951 1.00 1.00 C ATOM 69 CE1 TYR A 16 56.277 8.385 9.895 1.00 1.00 C ATOM 70 CE2 TYR A 16 54.581 8.870 8.235 1.00 1.00 C ATOM 71 CZ TYR A 16 55.488 9.310 9.205 1.00 1.00 C ATOM 72 OH TYR A 16 55.602 10.658 9.481 1.00 1.00 O ATOM 0 H TYR A 16 57.159 3.800 8.918 1.00 1.00 H new ATOM 0 HA TYR A 16 55.656 3.938 6.562 1.00 1.00 H new ATOM 0 HB2 TYR A 16 54.130 4.846 7.994 1.00 1.00 H new ATOM 0 HB3 TYR A 16 55.300 4.498 9.252 1.00 1.00 H new ATOM 0 HD1 TYR A 16 56.778 6.315 10.158 1.00 1.00 H new ATOM 0 HD2 TYR A 16 53.759 7.168 7.203 1.00 1.00 H new ATOM 0 HE1 TYR A 16 56.975 8.727 10.644 1.00 1.00 H new ATOM 0 HE2 TYR A 16 53.972 9.586 7.704 1.00 1.00 H new ATOM 0 HH TYR A 16 54.983 11.162 8.912 1.00 1.00 H new ATOM 82 N LYS A 17 57.565 6.575 7.081 1.00 1.00 N ATOM 83 CA LYS A 17 58.179 7.710 6.409 1.00 1.00 C ATOM 84 C LYS A 17 59.084 7.212 5.288 1.00 1.00 C ATOM 85 O LYS A 17 59.188 7.837 4.241 1.00 1.00 O ATOM 86 CB LYS A 17 58.999 8.536 7.403 1.00 1.00 C ATOM 87 CG LYS A 17 59.496 9.809 6.713 1.00 1.00 C ATOM 88 CD LYS A 17 60.288 10.655 7.711 1.00 1.00 C ATOM 89 CE LYS A 17 60.764 11.938 7.026 1.00 1.00 C ATOM 90 NZ LYS A 17 61.549 12.756 7.995 1.00 1.00 N ATOM 0 H LYS A 17 57.843 6.455 8.055 1.00 1.00 H new ATOM 0 HA LYS A 17 57.393 8.340 5.992 1.00 1.00 H new ATOM 0 HB2 LYS A 17 58.390 8.792 8.270 1.00 1.00 H new ATOM 0 HB3 LYS A 17 59.844 7.953 7.768 1.00 1.00 H new ATOM 0 HG2 LYS A 17 60.124 9.551 5.860 1.00 1.00 H new ATOM 0 HG3 LYS A 17 58.651 10.379 6.327 1.00 1.00 H new ATOM 0 HD2 LYS A 17 59.666 10.899 8.572 1.00 1.00 H new ATOM 0 HD3 LYS A 17 61.142 10.091 8.085 1.00 1.00 H new ATOM 0 HE2 LYS A 17 61.377 11.694 6.159 1.00 1.00 H new ATOM 0 HE3 LYS A 17 59.909 12.507 6.662 1.00 1.00 H new ATOM 0 HZ1 LYS A 17 61.873 13.628 7.530 1.00 1.00 H new ATOM 0 HZ2 LYS A 17 60.950 12.999 8.809 1.00 1.00 H new ATOM 0 HZ3 LYS A 17 62.373 12.211 8.322 1.00 1.00 H new ATOM 104 N GLY A 18 59.730 6.075 5.523 1.00 1.00 N ATOM 105 CA GLY A 18 60.619 5.481 4.530 1.00 1.00 C ATOM 106 C GLY A 18 59.830 4.903 3.364 1.00 1.00 C ATOM 107 O GLY A 18 60.314 4.854 2.234 1.00 1.00 O ATOM 0 H GLY A 18 59.655 5.546 6.392 1.00 1.00 H new ATOM 0 HA2 GLY A 18 61.315 6.235 4.164 1.00 1.00 H new ATOM 0 HA3 GLY A 18 61.215 4.696 4.995 1.00 1.00 H new ATOM 111 N VAL A 19 58.617 4.445 3.653 1.00 1.00 N ATOM 112 CA VAL A 19 57.776 3.850 2.627 1.00 1.00 C ATOM 113 C VAL A 19 57.473 4.887 1.557 1.00 1.00 C ATOM 114 O VAL A 19 57.065 4.555 0.446 1.00 1.00 O ATOM 115 CB VAL A 19 56.478 3.301 3.250 1.00 1.00 C ATOM 116 CG1 VAL A 19 55.412 3.064 2.158 1.00 1.00 C ATOM 117 CG2 VAL A 19 56.781 1.966 3.944 1.00 1.00 C ATOM 0 H VAL A 19 58.198 4.475 4.583 1.00 1.00 H new ATOM 0 HA VAL A 19 58.302 3.015 2.165 1.00 1.00 H new ATOM 0 HB VAL A 19 56.097 4.027 3.968 1.00 1.00 H new ATOM 0 HG11 VAL A 19 54.502 2.676 2.616 1.00 1.00 H new ATOM 0 HG12 VAL A 19 55.192 4.005 1.654 1.00 1.00 H new ATOM 0 HG13 VAL A 19 55.789 2.343 1.432 1.00 1.00 H new ATOM 0 HG21 VAL A 19 55.867 1.571 4.388 1.00 1.00 H new ATOM 0 HG22 VAL A 19 57.166 1.255 3.213 1.00 1.00 H new ATOM 0 HG23 VAL A 19 57.525 2.123 4.725 1.00 1.00 H new ATOM 127 N ILE A 20 57.689 6.145 1.906 1.00 1.00 N ATOM 128 CA ILE A 20 57.447 7.239 0.977 1.00 1.00 C ATOM 129 C ILE A 20 58.180 6.941 -0.322 1.00 1.00 C ATOM 130 O ILE A 20 57.735 7.318 -1.404 1.00 1.00 O ATOM 131 CB ILE A 20 58.005 8.548 1.588 1.00 1.00 C ATOM 132 CG1 ILE A 20 57.051 9.071 2.697 1.00 1.00 C ATOM 133 CG2 ILE A 20 58.202 9.644 0.516 1.00 1.00 C ATOM 134 CD1 ILE A 20 55.662 9.442 2.127 1.00 1.00 C ATOM 0 H ILE A 20 58.030 6.434 2.823 1.00 1.00 H new ATOM 0 HA ILE A 20 56.379 7.347 0.788 1.00 1.00 H new ATOM 0 HB ILE A 20 58.979 8.317 2.019 1.00 1.00 H new ATOM 0 HG12 ILE A 20 56.937 8.309 3.468 1.00 1.00 H new ATOM 0 HG13 ILE A 20 57.493 9.945 3.176 1.00 1.00 H new ATOM 0 HG21 ILE A 20 58.595 10.546 0.986 1.00 1.00 H new ATOM 0 HG22 ILE A 20 58.905 9.292 -0.239 1.00 1.00 H new ATOM 0 HG23 ILE A 20 57.245 9.868 0.044 1.00 1.00 H new ATOM 0 HD11 ILE A 20 55.023 9.804 2.933 1.00 1.00 H new ATOM 0 HD12 ILE A 20 55.774 10.223 1.375 1.00 1.00 H new ATOM 0 HD13 ILE A 20 55.209 8.562 1.672 1.00 1.00 H new ATOM 146 N GLN A 21 59.305 6.246 -0.198 1.00 1.00 N ATOM 147 CA GLN A 21 60.092 5.886 -1.364 1.00 1.00 C ATOM 148 C GLN A 21 59.176 5.262 -2.408 1.00 1.00 C ATOM 149 O GLN A 21 59.359 5.461 -3.604 1.00 1.00 O ATOM 150 CB GLN A 21 61.190 4.890 -0.973 1.00 1.00 C ATOM 151 CG GLN A 21 62.230 5.581 -0.083 1.00 1.00 C ATOM 152 CD GLN A 21 63.269 4.570 0.387 1.00 1.00 C ATOM 153 OE1 GLN A 21 63.239 3.409 -0.023 1.00 1.00 O ATOM 154 NE2 GLN A 21 64.192 4.943 1.230 1.00 1.00 N ATOM 0 H GLN A 21 59.687 5.924 0.691 1.00 1.00 H new ATOM 0 HA GLN A 21 60.563 6.780 -1.774 1.00 1.00 H new ATOM 0 HB2 GLN A 21 60.753 4.042 -0.445 1.00 1.00 H new ATOM 0 HB3 GLN A 21 61.670 4.495 -1.868 1.00 1.00 H new ATOM 0 HG2 GLN A 21 62.717 6.385 -0.635 1.00 1.00 H new ATOM 0 HG3 GLN A 21 61.739 6.037 0.777 1.00 1.00 H new ATOM 0 HE21 GLN A 21 64.215 5.905 1.568 1.00 1.00 H new ATOM 0 HE22 GLN A 21 64.891 4.273 1.551 1.00 1.00 H new ATOM 163 N ALA A 22 58.175 4.524 -1.935 1.00 1.00 N ATOM 164 CA ALA A 22 57.210 3.897 -2.834 1.00 1.00 C ATOM 165 C ALA A 22 56.250 4.945 -3.394 1.00 1.00 C ATOM 166 O ALA A 22 55.938 4.947 -4.585 1.00 1.00 O ATOM 167 CB ALA A 22 56.402 2.823 -2.093 1.00 1.00 C ATOM 0 H ALA A 22 58.011 4.346 -0.944 1.00 1.00 H new ATOM 0 HA ALA A 22 57.762 3.433 -3.651 1.00 1.00 H new ATOM 0 HB1 ALA A 22 55.688 2.367 -2.779 1.00 1.00 H new ATOM 0 HB2 ALA A 22 57.078 2.058 -1.711 1.00 1.00 H new ATOM 0 HB3 ALA A 22 55.865 3.280 -1.262 1.00 1.00 H new ATOM 173 N ILE A 23 55.772 5.826 -2.513 1.00 1.00 N ATOM 174 CA ILE A 23 54.830 6.870 -2.911 1.00 1.00 C ATOM 175 C ILE A 23 55.463 7.846 -3.904 1.00 1.00 C ATOM 176 O ILE A 23 54.853 8.197 -4.915 1.00 1.00 O ATOM 177 CB ILE A 23 54.369 7.641 -1.668 1.00 1.00 C ATOM 178 CG1 ILE A 23 53.520 6.718 -0.781 1.00 1.00 C ATOM 179 CG2 ILE A 23 53.526 8.851 -2.087 1.00 1.00 C ATOM 180 CD1 ILE A 23 53.292 7.356 0.600 1.00 1.00 C ATOM 0 H ILE A 23 56.021 5.836 -1.524 1.00 1.00 H new ATOM 0 HA ILE A 23 53.980 6.392 -3.397 1.00 1.00 H new ATOM 0 HB ILE A 23 55.244 7.984 -1.116 1.00 1.00 H new ATOM 0 HG12 ILE A 23 52.561 6.524 -1.261 1.00 1.00 H new ATOM 0 HG13 ILE A 23 54.019 5.756 -0.665 1.00 1.00 H new ATOM 0 HG21 ILE A 23 53.202 9.394 -1.199 1.00 1.00 H new ATOM 0 HG22 ILE A 23 54.123 9.510 -2.717 1.00 1.00 H new ATOM 0 HG23 ILE A 23 52.652 8.511 -2.643 1.00 1.00 H new ATOM 0 HD11 ILE A 23 52.689 6.688 1.214 1.00 1.00 H new ATOM 0 HD12 ILE A 23 54.253 7.526 1.085 1.00 1.00 H new ATOM 0 HD13 ILE A 23 52.772 8.307 0.480 1.00 1.00 H new ATOM 192 N GLN A 24 56.683 8.284 -3.607 1.00 1.00 N ATOM 193 CA GLN A 24 57.380 9.226 -4.475 1.00 1.00 C ATOM 194 C GLN A 24 57.778 8.563 -5.789 1.00 1.00 C ATOM 195 O GLN A 24 57.771 9.202 -6.840 1.00 1.00 O ATOM 196 CB GLN A 24 58.622 9.784 -3.762 1.00 1.00 C ATOM 197 CG GLN A 24 59.739 8.739 -3.757 1.00 1.00 C ATOM 198 CD GLN A 24 60.852 9.155 -2.799 1.00 1.00 C ATOM 199 OE1 GLN A 24 60.717 10.235 -2.079 1.00 1.00 O flip ATOM 200 NE2 GLN A 24 61.875 8.477 -2.707 1.00 1.00 N flip ATOM 0 H GLN A 24 57.206 8.004 -2.777 1.00 1.00 H new ATOM 0 HA GLN A 24 56.702 10.049 -4.701 1.00 1.00 H new ATOM 0 HB2 GLN A 24 58.963 10.690 -4.264 1.00 1.00 H new ATOM 0 HB3 GLN A 24 58.369 10.062 -2.739 1.00 1.00 H new ATOM 0 HG2 GLN A 24 59.338 7.770 -3.460 1.00 1.00 H new ATOM 0 HG3 GLN A 24 60.141 8.622 -4.763 1.00 1.00 H new ATOM 0 HE21 GLN A 24 61.980 7.633 -3.270 1.00 1.00 H new ATOM 0 HE22 GLN A 24 62.618 8.759 -2.068 1.00 1.00 H new ATOM 209 N LYS A 25 58.144 7.284 -5.717 1.00 1.00 N ATOM 210 CA LYS A 25 58.559 6.552 -6.911 1.00 1.00 C ATOM 211 C LYS A 25 57.372 6.311 -7.841 1.00 1.00 C ATOM 212 O LYS A 25 57.091 5.178 -8.230 1.00 1.00 O ATOM 213 CB LYS A 25 59.193 5.204 -6.522 1.00 1.00 C ATOM 214 CG LYS A 25 60.667 5.395 -6.143 1.00 1.00 C ATOM 215 CD LYS A 25 61.221 4.087 -5.542 1.00 1.00 C ATOM 216 CE LYS A 25 62.720 3.973 -5.832 1.00 1.00 C ATOM 217 NZ LYS A 25 63.432 5.152 -5.264 1.00 1.00 N ATOM 0 H LYS A 25 58.162 6.739 -4.855 1.00 1.00 H new ATOM 0 HA LYS A 25 59.298 7.158 -7.436 1.00 1.00 H new ATOM 0 HB2 LYS A 25 58.649 4.768 -5.684 1.00 1.00 H new ATOM 0 HB3 LYS A 25 59.113 4.504 -7.353 1.00 1.00 H new ATOM 0 HG2 LYS A 25 61.246 5.676 -7.023 1.00 1.00 H new ATOM 0 HG3 LYS A 25 60.765 6.208 -5.424 1.00 1.00 H new ATOM 0 HD2 LYS A 25 61.048 4.069 -4.466 1.00 1.00 H new ATOM 0 HD3 LYS A 25 60.694 3.231 -5.964 1.00 1.00 H new ATOM 0 HE2 LYS A 25 63.115 3.054 -5.399 1.00 1.00 H new ATOM 0 HE3 LYS A 25 62.889 3.917 -6.907 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 64.456 4.972 -5.264 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 63.228 5.992 -5.842 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 63.110 5.316 -4.289 1.00 1.00 H new ATOM 231 N SER A 26 56.686 7.383 -8.203 1.00 1.00 N ATOM 232 CA SER A 26 55.539 7.270 -9.097 1.00 1.00 C ATOM 233 C SER A 26 55.968 6.697 -10.442 1.00 1.00 C ATOM 234 O SER A 26 55.156 6.528 -11.352 1.00 1.00 O ATOM 235 CB SER A 26 54.893 8.636 -9.315 1.00 1.00 C ATOM 236 OG SER A 26 54.365 9.114 -8.085 1.00 1.00 O ATOM 0 H SER A 26 56.898 8.333 -7.897 1.00 1.00 H new ATOM 0 HA SER A 26 54.815 6.600 -8.633 1.00 1.00 H new ATOM 0 HB2 SER A 26 55.629 9.340 -9.705 1.00 1.00 H new ATOM 0 HB3 SER A 26 54.099 8.560 -10.058 1.00 1.00 H new ATOM 0 HG SER A 26 53.952 9.992 -8.225 1.00 1.00 H new ATOM 242 N ASP A 27 57.253 6.395 -10.556 1.00 1.00 N ATOM 243 CA ASP A 27 57.812 5.832 -11.777 1.00 1.00 C ATOM 244 C ASP A 27 57.938 4.332 -11.618 1.00 1.00 C ATOM 245 O ASP A 27 58.452 3.641 -12.497 1.00 1.00 O ATOM 246 CB ASP A 27 59.184 6.448 -12.059 1.00 1.00 C ATOM 247 CG ASP A 27 60.090 6.316 -10.840 1.00 1.00 C ATOM 248 OD1 ASP A 27 59.581 6.009 -9.775 1.00 1.00 O ATOM 249 OD2 ASP A 27 61.282 6.526 -10.991 1.00 1.00 O ATOM 0 H ASP A 27 57.934 6.532 -9.810 1.00 1.00 H new ATOM 0 HA ASP A 27 57.153 6.055 -12.616 1.00 1.00 H new ATOM 0 HB2 ASP A 27 59.642 5.953 -12.915 1.00 1.00 H new ATOM 0 HB3 ASP A 27 59.070 7.500 -12.322 1.00 1.00 H new ATOM 254 N GLU A 28 57.452 3.834 -10.479 1.00 1.00 N ATOM 255 CA GLU A 28 57.492 2.409 -10.186 1.00 1.00 C ATOM 256 C GLU A 28 56.090 1.828 -10.155 1.00 1.00 C ATOM 257 O GLU A 28 55.842 0.835 -9.479 1.00 1.00 O ATOM 258 CB GLU A 28 58.191 2.152 -8.850 1.00 1.00 C ATOM 259 CG GLU A 28 59.688 2.458 -8.979 1.00 1.00 C ATOM 260 CD GLU A 28 60.349 1.478 -9.944 1.00 1.00 C ATOM 261 OE1 GLU A 28 59.790 0.413 -10.149 1.00 1.00 O ATOM 262 OE2 GLU A 28 61.406 1.802 -10.458 1.00 1.00 O ATOM 0 H GLU A 28 57.026 4.402 -9.746 1.00 1.00 H new ATOM 0 HA GLU A 28 58.057 1.919 -10.979 1.00 1.00 H new ATOM 0 HB2 GLU A 28 57.749 2.775 -8.072 1.00 1.00 H new ATOM 0 HB3 GLU A 28 58.047 1.115 -8.548 1.00 1.00 H new ATOM 0 HG2 GLU A 28 59.828 3.479 -9.335 1.00 1.00 H new ATOM 0 HG3 GLU A 28 60.165 2.393 -8.001 1.00 1.00 H new ATOM 269 N GLY A 29 55.178 2.454 -10.892 1.00 1.00 N ATOM 270 CA GLY A 29 53.797 1.990 -10.936 1.00 1.00 C ATOM 271 C GLY A 29 53.037 2.514 -9.735 1.00 1.00 C ATOM 272 O GLY A 29 51.981 1.987 -9.382 1.00 1.00 O ATOM 0 H GLY A 29 55.369 3.278 -11.463 1.00 1.00 H new ATOM 0 HA2 GLY A 29 53.320 2.329 -11.855 1.00 1.00 H new ATOM 0 HA3 GLY A 29 53.771 0.900 -10.946 1.00 1.00 H new ATOM 276 N HIS A 30 53.607 3.531 -9.089 1.00 1.00 N ATOM 277 CA HIS A 30 53.021 4.109 -7.891 1.00 1.00 C ATOM 278 C HIS A 30 52.336 3.032 -7.044 1.00 1.00 C ATOM 279 O HIS A 30 51.149 3.153 -6.736 1.00 1.00 O ATOM 280 CB HIS A 30 52.020 5.218 -8.255 1.00 1.00 C ATOM 281 CG HIS A 30 51.204 4.824 -9.455 1.00 1.00 C ATOM 282 ND1 HIS A 30 50.328 3.749 -9.440 1.00 1.00 N ATOM 283 CD2 HIS A 30 51.109 5.366 -10.712 1.00 1.00 C ATOM 284 CE1 HIS A 30 49.749 3.682 -10.654 1.00 1.00 C ATOM 285 NE2 HIS A 30 50.190 4.645 -11.467 1.00 1.00 N ATOM 0 H HIS A 30 54.480 3.970 -9.382 1.00 1.00 H new ATOM 0 HA HIS A 30 53.826 4.549 -7.302 1.00 1.00 H new ATOM 0 HB2 HIS A 30 51.361 5.412 -7.409 1.00 1.00 H new ATOM 0 HB3 HIS A 30 52.555 6.145 -8.461 1.00 1.00 H new ATOM 0 HD1 HIS A 30 50.154 3.123 -8.653 1.00 1.00 H new ATOM 0 HD2 HIS A 30 51.664 6.223 -11.062 1.00 1.00 H new ATOM 0 HE1 HIS A 30 49.017 2.940 -10.936 1.00 1.00 H new ATOM 293 N PRO A 31 53.044 1.982 -6.653 1.00 1.00 N ATOM 294 CA PRO A 31 52.452 0.902 -5.825 1.00 1.00 C ATOM 295 C PRO A 31 52.530 1.250 -4.337 1.00 1.00 C ATOM 296 O PRO A 31 53.585 1.640 -3.835 1.00 1.00 O ATOM 297 CB PRO A 31 53.288 -0.352 -6.183 1.00 1.00 C ATOM 298 CG PRO A 31 54.493 0.139 -6.963 1.00 1.00 C ATOM 299 CD PRO A 31 54.462 1.688 -6.930 1.00 1.00 C ATOM 0 HA PRO A 31 51.391 0.746 -6.022 1.00 1.00 H new ATOM 0 HB2 PRO A 31 53.599 -0.881 -5.282 1.00 1.00 H new ATOM 0 HB3 PRO A 31 52.701 -1.052 -6.777 1.00 1.00 H new ATOM 0 HG2 PRO A 31 55.416 -0.237 -6.521 1.00 1.00 H new ATOM 0 HG3 PRO A 31 54.460 -0.224 -7.990 1.00 1.00 H new ATOM 0 HD2 PRO A 31 55.117 2.089 -6.156 1.00 1.00 H new ATOM 0 HD3 PRO A 31 54.787 2.119 -7.877 1.00 1.00 H new ATOM 307 N PHE A 32 51.397 1.128 -3.649 1.00 1.00 N ATOM 308 CA PHE A 32 51.317 1.447 -2.216 1.00 1.00 C ATOM 309 C PHE A 32 51.017 0.191 -1.401 1.00 1.00 C ATOM 310 O PHE A 32 51.783 -0.179 -0.525 1.00 1.00 O ATOM 311 CB PHE A 32 50.213 2.506 -1.964 1.00 1.00 C ATOM 312 CG PHE A 32 49.398 2.658 -3.210 1.00 1.00 C ATOM 313 CD1 PHE A 32 48.298 1.832 -3.421 1.00 1.00 C ATOM 314 CD2 PHE A 32 49.762 3.610 -4.164 1.00 1.00 C ATOM 315 CE1 PHE A 32 47.552 1.954 -4.589 1.00 1.00 C ATOM 316 CE2 PHE A 32 49.021 3.740 -5.330 1.00 1.00 C ATOM 317 CZ PHE A 32 47.910 2.910 -5.552 1.00 1.00 C ATOM 0 H PHE A 32 50.518 0.810 -4.057 1.00 1.00 H new ATOM 0 HA PHE A 32 52.280 1.849 -1.902 1.00 1.00 H new ATOM 0 HB2 PHE A 32 49.578 2.199 -1.133 1.00 1.00 H new ATOM 0 HB3 PHE A 32 50.661 3.460 -1.687 1.00 1.00 H new ATOM 0 HD1 PHE A 32 48.024 1.097 -2.679 1.00 1.00 H new ATOM 0 HD2 PHE A 32 50.619 4.245 -3.995 1.00 1.00 H new ATOM 0 HE1 PHE A 32 46.698 1.314 -4.754 1.00 1.00 H new ATOM 0 HE2 PHE A 32 49.299 4.479 -6.067 1.00 1.00 H new ATOM 0 HZ PHE A 32 47.334 3.007 -6.460 1.00 1.00 H new ATOM 327 N ARG A 33 49.888 -0.451 -1.684 1.00 1.00 N ATOM 328 CA ARG A 33 49.509 -1.641 -0.947 1.00 1.00 C ATOM 329 C ARG A 33 50.433 -2.801 -1.273 1.00 1.00 C ATOM 330 O ARG A 33 50.772 -3.597 -0.397 1.00 1.00 O ATOM 331 CB ARG A 33 48.054 -2.008 -1.236 1.00 1.00 C ATOM 332 CG ARG A 33 47.880 -2.328 -2.731 1.00 1.00 C ATOM 333 CD ARG A 33 46.409 -2.670 -3.011 1.00 1.00 C ATOM 334 NE ARG A 33 45.575 -1.492 -2.810 1.00 1.00 N ATOM 335 CZ ARG A 33 44.251 -1.561 -2.905 1.00 1.00 C ATOM 336 NH1 ARG A 33 43.672 -2.701 -3.167 1.00 1.00 N ATOM 337 NH2 ARG A 33 43.529 -0.487 -2.731 1.00 1.00 N ATOM 0 H ARG A 33 49.230 -0.168 -2.410 1.00 1.00 H new ATOM 0 HA ARG A 33 49.605 -1.427 0.117 1.00 1.00 H new ATOM 0 HB2 ARG A 33 47.761 -2.869 -0.635 1.00 1.00 H new ATOM 0 HB3 ARG A 33 47.399 -1.184 -0.953 1.00 1.00 H new ATOM 0 HG2 ARG A 33 48.188 -1.475 -3.335 1.00 1.00 H new ATOM 0 HG3 ARG A 33 48.519 -3.165 -3.012 1.00 1.00 H new ATOM 0 HD2 ARG A 33 46.300 -3.033 -4.033 1.00 1.00 H new ATOM 0 HD3 ARG A 33 46.082 -3.474 -2.351 1.00 1.00 H new ATOM 0 HE ARG A 33 46.015 -0.598 -2.592 1.00 1.00 H new ATOM 0 HH11 ARG A 33 44.236 -3.541 -3.299 1.00 1.00 H new ATOM 0 HH12 ARG A 33 42.656 -2.752 -3.240 1.00 1.00 H new ATOM 0 HH21 ARG A 33 43.981 0.403 -2.523 1.00 1.00 H new ATOM 0 HH22 ARG A 33 42.513 -0.538 -2.804 1.00 1.00 H new ATOM 351 N ALA A 34 50.842 -2.902 -2.531 1.00 1.00 N ATOM 352 CA ALA A 34 51.732 -3.988 -2.919 1.00 1.00 C ATOM 353 C ALA A 34 53.094 -3.818 -2.234 1.00 1.00 C ATOM 354 O ALA A 34 53.723 -4.800 -1.841 1.00 1.00 O ATOM 355 CB ALA A 34 51.891 -4.091 -4.454 1.00 1.00 C ATOM 0 H ALA A 34 50.580 -2.264 -3.282 1.00 1.00 H new ATOM 0 HA ALA A 34 51.282 -4.924 -2.588 1.00 1.00 H new ATOM 0 HB1 ALA A 34 52.563 -4.914 -4.696 1.00 1.00 H new ATOM 0 HB2 ALA A 34 50.917 -4.272 -4.909 1.00 1.00 H new ATOM 0 HB3 ALA A 34 52.305 -3.159 -4.840 1.00 1.00 H new ATOM 361 N TYR A 35 53.533 -2.563 -2.074 1.00 1.00 N ATOM 362 CA TYR A 35 54.816 -2.285 -1.409 1.00 1.00 C ATOM 363 C TYR A 35 54.738 -2.687 0.072 1.00 1.00 C ATOM 364 O TYR A 35 55.731 -3.111 0.660 1.00 1.00 O ATOM 365 CB TYR A 35 55.216 -0.769 -1.541 1.00 1.00 C ATOM 366 CG TYR A 35 56.542 -0.608 -2.297 1.00 1.00 C ATOM 367 CD1 TYR A 35 57.767 -0.682 -1.594 1.00 1.00 C ATOM 368 CD2 TYR A 35 56.564 -0.384 -3.699 1.00 1.00 C ATOM 369 CE1 TYR A 35 58.980 -0.537 -2.276 1.00 1.00 C ATOM 370 CE2 TYR A 35 57.789 -0.243 -4.363 1.00 1.00 C ATOM 371 CZ TYR A 35 58.991 -0.319 -3.656 1.00 1.00 C ATOM 372 OH TYR A 35 60.192 -0.182 -4.321 1.00 1.00 O ATOM 0 H TYR A 35 53.029 -1.734 -2.390 1.00 1.00 H new ATOM 0 HA TYR A 35 55.587 -2.877 -1.903 1.00 1.00 H new ATOM 0 HB2 TYR A 35 54.428 -0.227 -2.064 1.00 1.00 H new ATOM 0 HB3 TYR A 35 55.304 -0.326 -0.549 1.00 1.00 H new ATOM 0 HD1 TYR A 35 57.766 -0.851 -0.527 1.00 1.00 H new ATOM 0 HD2 TYR A 35 55.638 -0.323 -4.252 1.00 1.00 H new ATOM 0 HE1 TYR A 35 59.912 -0.594 -1.733 1.00 1.00 H new ATOM 0 HE2 TYR A 35 57.804 -0.074 -5.430 1.00 1.00 H new ATOM 0 HH TYR A 35 60.023 -0.037 -5.275 1.00 1.00 H new ATOM 382 N LEU A 36 53.556 -2.533 0.666 1.00 1.00 N ATOM 383 CA LEU A 36 53.357 -2.860 2.082 1.00 1.00 C ATOM 384 C LEU A 36 53.644 -4.332 2.363 1.00 1.00 C ATOM 385 O LEU A 36 54.166 -4.680 3.417 1.00 1.00 O ATOM 386 CB LEU A 36 51.918 -2.503 2.514 1.00 1.00 C ATOM 387 CG LEU A 36 51.855 -1.077 3.133 1.00 1.00 C ATOM 388 CD1 LEU A 36 52.751 -0.058 2.383 1.00 1.00 C ATOM 389 CD2 LEU A 36 50.404 -0.599 3.111 1.00 1.00 C ATOM 0 H LEU A 36 52.722 -2.185 0.193 1.00 1.00 H new ATOM 0 HA LEU A 36 54.063 -2.267 2.664 1.00 1.00 H new ATOM 0 HB2 LEU A 36 51.252 -2.558 1.653 1.00 1.00 H new ATOM 0 HB3 LEU A 36 51.561 -3.234 3.240 1.00 1.00 H new ATOM 0 HG LEU A 36 52.232 -1.138 4.154 1.00 1.00 H new ATOM 0 HD11 LEU A 36 52.667 0.919 2.859 1.00 1.00 H new ATOM 0 HD12 LEU A 36 53.788 -0.391 2.418 1.00 1.00 H new ATOM 0 HD13 LEU A 36 52.428 0.015 1.344 1.00 1.00 H new ATOM 0 HD21 LEU A 36 50.344 0.400 3.542 1.00 1.00 H new ATOM 0 HD22 LEU A 36 50.045 -0.573 2.082 1.00 1.00 H new ATOM 0 HD23 LEU A 36 49.787 -1.283 3.693 1.00 1.00 H new ATOM 401 N GLU A 37 53.291 -5.196 1.439 1.00 1.00 N ATOM 402 CA GLU A 37 53.516 -6.607 1.632 1.00 1.00 C ATOM 403 C GLU A 37 54.987 -6.871 1.988 1.00 1.00 C ATOM 404 O GLU A 37 55.288 -7.637 2.904 1.00 1.00 O ATOM 405 CB GLU A 37 53.131 -7.338 0.333 1.00 1.00 C ATOM 406 CG GLU A 37 53.870 -8.678 0.212 1.00 1.00 C ATOM 407 CD GLU A 37 55.262 -8.463 -0.385 1.00 1.00 C ATOM 408 OE1 GLU A 37 55.350 -7.803 -1.407 1.00 1.00 O ATOM 409 OE2 GLU A 37 56.216 -8.956 0.193 1.00 1.00 O ATOM 0 H GLU A 37 52.850 -4.948 0.553 1.00 1.00 H new ATOM 0 HA GLU A 37 52.906 -6.974 2.457 1.00 1.00 H new ATOM 0 HB2 GLU A 37 52.055 -7.510 0.314 1.00 1.00 H new ATOM 0 HB3 GLU A 37 53.368 -6.710 -0.525 1.00 1.00 H new ATOM 0 HG2 GLU A 37 53.956 -9.144 1.194 1.00 1.00 H new ATOM 0 HG3 GLU A 37 53.299 -9.361 -0.416 1.00 1.00 H new ATOM 416 N SER A 38 55.890 -6.254 1.234 1.00 1.00 N ATOM 417 CA SER A 38 57.324 -6.440 1.444 1.00 1.00 C ATOM 418 C SER A 38 57.817 -5.721 2.704 1.00 1.00 C ATOM 419 O SER A 38 58.887 -6.037 3.219 1.00 1.00 O ATOM 420 CB SER A 38 58.095 -5.931 0.221 1.00 1.00 C ATOM 421 OG SER A 38 57.832 -4.544 0.053 1.00 1.00 O ATOM 0 H SER A 38 55.656 -5.620 0.470 1.00 1.00 H new ATOM 0 HA SER A 38 57.504 -7.506 1.581 1.00 1.00 H new ATOM 0 HB2 SER A 38 59.164 -6.098 0.353 1.00 1.00 H new ATOM 0 HB3 SER A 38 57.794 -6.482 -0.670 1.00 1.00 H new ATOM 0 HG SER A 38 57.097 -4.276 0.644 1.00 1.00 H new ATOM 427 N GLU A 39 57.041 -4.749 3.191 1.00 1.00 N ATOM 428 CA GLU A 39 57.435 -3.996 4.376 1.00 1.00 C ATOM 429 C GLU A 39 57.497 -4.901 5.598 1.00 1.00 C ATOM 430 O GLU A 39 58.068 -4.536 6.625 1.00 1.00 O ATOM 431 CB GLU A 39 56.449 -2.841 4.649 1.00 1.00 C ATOM 432 CG GLU A 39 56.636 -1.727 3.610 1.00 1.00 C ATOM 433 CD GLU A 39 58.014 -1.085 3.758 1.00 1.00 C ATOM 434 OE1 GLU A 39 58.588 -1.203 4.828 1.00 1.00 O ATOM 435 OE2 GLU A 39 58.475 -0.491 2.798 1.00 1.00 O ATOM 0 H GLU A 39 56.147 -4.470 2.786 1.00 1.00 H new ATOM 0 HA GLU A 39 58.425 -3.583 4.185 1.00 1.00 H new ATOM 0 HB2 GLU A 39 55.425 -3.212 4.615 1.00 1.00 H new ATOM 0 HB3 GLU A 39 56.611 -2.444 5.651 1.00 1.00 H new ATOM 0 HG2 GLU A 39 56.524 -2.136 2.606 1.00 1.00 H new ATOM 0 HG3 GLU A 39 55.861 -0.971 3.735 1.00 1.00 H new ATOM 442 N VAL A 40 56.878 -6.071 5.494 1.00 1.00 N ATOM 443 CA VAL A 40 56.847 -6.994 6.622 1.00 1.00 C ATOM 444 C VAL A 40 58.220 -7.618 6.906 1.00 1.00 C ATOM 445 O VAL A 40 58.685 -7.597 8.046 1.00 1.00 O ATOM 446 CB VAL A 40 55.801 -8.104 6.396 1.00 1.00 C ATOM 447 CG1 VAL A 40 55.943 -9.169 7.493 1.00 1.00 C ATOM 448 CG2 VAL A 40 54.379 -7.520 6.453 1.00 1.00 C ATOM 0 H VAL A 40 56.399 -6.399 4.656 1.00 1.00 H new ATOM 0 HA VAL A 40 56.565 -6.407 7.496 1.00 1.00 H new ATOM 0 HB VAL A 40 55.969 -8.548 5.415 1.00 1.00 H new ATOM 0 HG11 VAL A 40 55.204 -9.955 7.335 1.00 1.00 H new ATOM 0 HG12 VAL A 40 56.944 -9.599 7.455 1.00 1.00 H new ATOM 0 HG13 VAL A 40 55.782 -8.710 8.469 1.00 1.00 H new ATOM 0 HG21 VAL A 40 53.652 -8.316 6.292 1.00 1.00 H new ATOM 0 HG22 VAL A 40 54.210 -7.067 7.430 1.00 1.00 H new ATOM 0 HG23 VAL A 40 54.265 -6.762 5.678 1.00 1.00 H new ATOM 458 N ALA A 41 58.865 -8.178 5.884 1.00 1.00 N ATOM 459 CA ALA A 41 60.178 -8.800 6.089 1.00 1.00 C ATOM 460 C ALA A 41 61.251 -7.725 6.184 1.00 1.00 C ATOM 461 O ALA A 41 62.398 -7.988 6.545 1.00 1.00 O ATOM 462 CB ALA A 41 60.511 -9.772 4.941 1.00 1.00 C ATOM 0 H ALA A 41 58.514 -8.216 4.927 1.00 1.00 H new ATOM 0 HA ALA A 41 60.148 -9.366 7.020 1.00 1.00 H new ATOM 0 HB1 ALA A 41 61.489 -10.220 5.116 1.00 1.00 H new ATOM 0 HB2 ALA A 41 59.755 -10.556 4.897 1.00 1.00 H new ATOM 0 HB3 ALA A 41 60.525 -9.228 3.996 1.00 1.00 H new ATOM 468 N ILE A 42 60.852 -6.509 5.845 1.00 1.00 N ATOM 469 CA ILE A 42 61.744 -5.353 5.867 1.00 1.00 C ATOM 470 C ILE A 42 61.604 -4.581 7.172 1.00 1.00 C ATOM 471 O ILE A 42 62.574 -4.020 7.677 1.00 1.00 O ATOM 472 CB ILE A 42 61.369 -4.460 4.697 1.00 1.00 C ATOM 473 CG1 ILE A 42 61.692 -5.207 3.406 1.00 1.00 C ATOM 474 CG2 ILE A 42 62.132 -3.126 4.769 1.00 1.00 C ATOM 475 CD1 ILE A 42 61.175 -4.440 2.182 1.00 1.00 C ATOM 0 H ILE A 42 59.901 -6.292 5.546 1.00 1.00 H new ATOM 0 HA ILE A 42 62.780 -5.684 5.789 1.00 1.00 H new ATOM 0 HB ILE A 42 60.305 -4.226 4.729 1.00 1.00 H new ATOM 0 HG12 ILE A 42 62.770 -5.347 3.323 1.00 1.00 H new ATOM 0 HG13 ILE A 42 61.243 -6.200 3.434 1.00 1.00 H new ATOM 0 HG21 ILE A 42 61.850 -2.500 3.923 1.00 1.00 H new ATOM 0 HG22 ILE A 42 61.883 -2.614 5.698 1.00 1.00 H new ATOM 0 HG23 ILE A 42 63.204 -3.318 4.737 1.00 1.00 H new ATOM 0 HD11 ILE A 42 61.419 -4.994 1.276 1.00 1.00 H new ATOM 0 HD12 ILE A 42 60.094 -4.323 2.256 1.00 1.00 H new ATOM 0 HD13 ILE A 42 61.645 -3.457 2.143 1.00 1.00 H new ATOM 487 N SER A 43 60.372 -4.551 7.669 1.00 1.00 N ATOM 488 CA SER A 43 60.003 -3.848 8.909 1.00 1.00 C ATOM 489 C SER A 43 61.210 -3.473 9.781 1.00 1.00 C ATOM 490 O SER A 43 61.279 -2.363 10.307 1.00 1.00 O ATOM 491 CB SER A 43 59.052 -4.732 9.720 1.00 1.00 C ATOM 492 OG SER A 43 59.789 -5.804 10.291 1.00 1.00 O ATOM 0 H SER A 43 59.584 -5.019 7.221 1.00 1.00 H new ATOM 0 HA SER A 43 59.524 -2.914 8.615 1.00 1.00 H new ATOM 0 HB2 SER A 43 58.571 -4.147 10.504 1.00 1.00 H new ATOM 0 HB3 SER A 43 58.260 -5.119 9.079 1.00 1.00 H new ATOM 0 HG SER A 43 59.645 -6.617 9.764 1.00 1.00 H new ATOM 498 N GLU A 44 62.147 -4.399 9.945 1.00 1.00 N ATOM 499 CA GLU A 44 63.326 -4.145 10.770 1.00 1.00 C ATOM 500 C GLU A 44 64.039 -2.855 10.336 1.00 1.00 C ATOM 501 O GLU A 44 64.194 -1.931 11.133 1.00 1.00 O ATOM 502 CB GLU A 44 64.289 -5.333 10.657 1.00 1.00 C ATOM 503 CG GLU A 44 65.285 -5.296 11.815 1.00 1.00 C ATOM 504 CD GLU A 44 66.228 -6.489 11.731 1.00 1.00 C ATOM 505 OE1 GLU A 44 66.248 -7.136 10.697 1.00 1.00 O ATOM 506 OE2 GLU A 44 66.922 -6.740 12.703 1.00 1.00 O ATOM 0 H GLU A 44 62.116 -5.327 9.522 1.00 1.00 H new ATOM 0 HA GLU A 44 63.006 -4.023 11.805 1.00 1.00 H new ATOM 0 HB2 GLU A 44 63.731 -6.269 10.673 1.00 1.00 H new ATOM 0 HB3 GLU A 44 64.820 -5.295 9.706 1.00 1.00 H new ATOM 0 HG2 GLU A 44 65.856 -4.368 11.784 1.00 1.00 H new ATOM 0 HG3 GLU A 44 64.751 -5.311 12.765 1.00 1.00 H new ATOM 513 N GLU A 45 64.461 -2.790 9.070 1.00 1.00 N ATOM 514 CA GLU A 45 65.146 -1.594 8.546 1.00 1.00 C ATOM 515 C GLU A 45 64.742 -1.360 7.093 1.00 1.00 C ATOM 516 O GLU A 45 64.982 -2.201 6.228 1.00 1.00 O ATOM 517 CB GLU A 45 66.671 -1.757 8.639 1.00 1.00 C ATOM 518 CG GLU A 45 67.117 -1.725 10.106 1.00 1.00 C ATOM 519 CD GLU A 45 66.837 -0.354 10.716 1.00 1.00 C ATOM 520 OE1 GLU A 45 67.221 0.633 10.107 1.00 1.00 O ATOM 521 OE2 GLU A 45 66.239 -0.310 11.778 1.00 1.00 O ATOM 0 H GLU A 45 64.344 -3.542 8.390 1.00 1.00 H new ATOM 0 HA GLU A 45 64.850 -0.735 9.149 1.00 1.00 H new ATOM 0 HB2 GLU A 45 66.972 -2.699 8.180 1.00 1.00 H new ATOM 0 HB3 GLU A 45 67.164 -0.959 8.084 1.00 1.00 H new ATOM 0 HG2 GLU A 45 66.591 -2.495 10.670 1.00 1.00 H new ATOM 0 HG3 GLU A 45 68.181 -1.950 10.174 1.00 1.00 H new ATOM 528 N LEU A 46 64.085 -0.228 6.839 1.00 1.00 N ATOM 529 CA LEU A 46 63.609 0.071 5.493 1.00 1.00 C ATOM 530 C LEU A 46 64.715 0.345 4.489 1.00 1.00 C ATOM 531 O LEU A 46 64.744 -0.281 3.443 1.00 1.00 O ATOM 532 CB LEU A 46 62.649 1.265 5.518 1.00 1.00 C ATOM 533 CG LEU A 46 61.977 1.449 4.122 1.00 1.00 C ATOM 534 CD1 LEU A 46 60.504 1.848 4.295 1.00 1.00 C ATOM 535 CD2 LEU A 46 62.702 2.540 3.307 1.00 1.00 C ATOM 0 H LEU A 46 63.874 0.485 7.537 1.00 1.00 H new ATOM 0 HA LEU A 46 63.097 -0.832 5.160 1.00 1.00 H new ATOM 0 HB2 LEU A 46 61.885 1.110 6.279 1.00 1.00 H new ATOM 0 HB3 LEU A 46 63.191 2.171 5.790 1.00 1.00 H new ATOM 0 HG LEU A 46 62.042 0.501 3.587 1.00 1.00 H new ATOM 0 HD11 LEU A 46 60.044 1.974 3.315 1.00 1.00 H new ATOM 0 HD12 LEU A 46 59.978 1.068 4.845 1.00 1.00 H new ATOM 0 HD13 LEU A 46 60.444 2.786 4.848 1.00 1.00 H new ATOM 0 HD21 LEU A 46 62.217 2.652 2.337 1.00 1.00 H new ATOM 0 HD22 LEU A 46 62.658 3.486 3.846 1.00 1.00 H new ATOM 0 HD23 LEU A 46 63.743 2.253 3.161 1.00 1.00 H new ATOM 547 N VAL A 47 65.590 1.297 4.772 1.00 1.00 N ATOM 548 CA VAL A 47 66.643 1.646 3.818 1.00 1.00 C ATOM 549 C VAL A 47 67.740 0.581 3.726 1.00 1.00 C ATOM 550 O VAL A 47 68.297 0.356 2.652 1.00 1.00 O ATOM 551 CB VAL A 47 67.266 2.994 4.192 1.00 1.00 C ATOM 552 CG1 VAL A 47 66.160 4.026 4.431 1.00 1.00 C ATOM 553 CG2 VAL A 47 68.096 2.834 5.465 1.00 1.00 C ATOM 0 H VAL A 47 65.598 1.836 5.638 1.00 1.00 H new ATOM 0 HA VAL A 47 66.170 1.709 2.838 1.00 1.00 H new ATOM 0 HB VAL A 47 67.906 3.334 3.378 1.00 1.00 H new ATOM 0 HG11 VAL A 47 66.607 4.984 4.697 1.00 1.00 H new ATOM 0 HG12 VAL A 47 65.568 4.142 3.523 1.00 1.00 H new ATOM 0 HG13 VAL A 47 65.516 3.688 5.243 1.00 1.00 H new ATOM 0 HG21 VAL A 47 68.540 3.793 5.733 1.00 1.00 H new ATOM 0 HG22 VAL A 47 67.454 2.492 6.277 1.00 1.00 H new ATOM 0 HG23 VAL A 47 68.886 2.103 5.295 1.00 1.00 H new ATOM 563 N GLN A 48 68.076 -0.048 4.846 1.00 1.00 N ATOM 564 CA GLN A 48 69.146 -1.048 4.840 1.00 1.00 C ATOM 565 C GLN A 48 68.783 -2.270 3.996 1.00 1.00 C ATOM 566 O GLN A 48 69.546 -2.668 3.115 1.00 1.00 O ATOM 567 CB GLN A 48 69.445 -1.501 6.277 1.00 1.00 C ATOM 568 CG GLN A 48 70.706 -2.376 6.309 1.00 1.00 C ATOM 569 CD GLN A 48 71.928 -1.550 5.919 1.00 1.00 C ATOM 570 OE1 GLN A 48 71.985 -0.352 6.201 1.00 1.00 O ATOM 571 NE2 GLN A 48 72.918 -2.121 5.290 1.00 1.00 N ATOM 0 H GLN A 48 67.637 0.109 5.753 1.00 1.00 H new ATOM 0 HA GLN A 48 70.026 -0.580 4.399 1.00 1.00 H new ATOM 0 HB2 GLN A 48 69.582 -0.631 6.919 1.00 1.00 H new ATOM 0 HB3 GLN A 48 68.597 -2.059 6.673 1.00 1.00 H new ATOM 0 HG2 GLN A 48 70.843 -2.794 7.307 1.00 1.00 H new ATOM 0 HG3 GLN A 48 70.592 -3.217 5.624 1.00 1.00 H new ATOM 0 HE21 GLN A 48 72.870 -3.113 5.057 1.00 1.00 H new ATOM 0 HE22 GLN A 48 73.740 -1.576 5.031 1.00 1.00 H new ATOM 580 N LYS A 49 67.632 -2.869 4.276 1.00 1.00 N ATOM 581 CA LYS A 49 67.206 -4.058 3.540 1.00 1.00 C ATOM 582 C LYS A 49 66.883 -3.716 2.101 1.00 1.00 C ATOM 583 O LYS A 49 67.162 -4.483 1.179 1.00 1.00 O ATOM 584 CB LYS A 49 65.983 -4.675 4.227 1.00 1.00 C ATOM 585 CG LYS A 49 65.584 -6.027 3.585 1.00 1.00 C ATOM 586 CD LYS A 49 66.688 -7.082 3.826 1.00 1.00 C ATOM 587 CE LYS A 49 66.150 -8.524 3.617 1.00 1.00 C ATOM 588 NZ LYS A 49 64.849 -8.689 4.329 1.00 1.00 N ATOM 0 H LYS A 49 66.982 -2.558 4.998 1.00 1.00 H new ATOM 0 HA LYS A 49 68.023 -4.780 3.539 1.00 1.00 H new ATOM 0 HB2 LYS A 49 66.197 -4.824 5.285 1.00 1.00 H new ATOM 0 HB3 LYS A 49 65.144 -3.982 4.166 1.00 1.00 H new ATOM 0 HG2 LYS A 49 64.641 -6.374 4.008 1.00 1.00 H new ATOM 0 HG3 LYS A 49 65.424 -5.896 2.515 1.00 1.00 H new ATOM 0 HD2 LYS A 49 67.521 -6.901 3.147 1.00 1.00 H new ATOM 0 HD3 LYS A 49 67.076 -6.980 4.840 1.00 1.00 H new ATOM 0 HE2 LYS A 49 66.020 -8.722 2.553 1.00 1.00 H new ATOM 0 HE3 LYS A 49 66.873 -9.249 3.990 1.00 1.00 H new ATOM 0 HZ1 LYS A 49 64.717 -9.689 4.584 1.00 1.00 H new ATOM 0 HZ2 LYS A 49 64.850 -8.109 5.192 1.00 1.00 H new ATOM 0 HZ3 LYS A 49 64.072 -8.385 3.708 1.00 1.00 H new ATOM 602 N TYR A 50 66.297 -2.558 1.927 1.00 1.00 N ATOM 603 CA TYR A 50 65.923 -2.077 0.617 1.00 1.00 C ATOM 604 C TYR A 50 67.147 -1.974 -0.296 1.00 1.00 C ATOM 605 O TYR A 50 67.139 -2.480 -1.418 1.00 1.00 O ATOM 606 CB TYR A 50 65.282 -0.713 0.831 1.00 1.00 C ATOM 607 CG TYR A 50 65.160 0.047 -0.466 1.00 1.00 C ATOM 608 CD1 TYR A 50 64.282 -0.395 -1.459 1.00 1.00 C ATOM 609 CD2 TYR A 50 65.935 1.195 -0.674 1.00 1.00 C ATOM 610 CE1 TYR A 50 64.180 0.309 -2.663 1.00 1.00 C ATOM 611 CE2 TYR A 50 65.840 1.895 -1.872 1.00 1.00 C ATOM 612 CZ TYR A 50 64.962 1.454 -2.875 1.00 1.00 C ATOM 613 OH TYR A 50 64.871 2.138 -4.070 1.00 1.00 O ATOM 0 H TYR A 50 66.065 -1.921 2.689 1.00 1.00 H new ATOM 0 HA TYR A 50 65.231 -2.762 0.127 1.00 1.00 H new ATOM 0 HB2 TYR A 50 64.295 -0.839 1.275 1.00 1.00 H new ATOM 0 HB3 TYR A 50 65.878 -0.136 1.538 1.00 1.00 H new ATOM 0 HD1 TYR A 50 63.683 -1.279 -1.297 1.00 1.00 H new ATOM 0 HD2 TYR A 50 66.608 1.538 0.098 1.00 1.00 H new ATOM 0 HE1 TYR A 50 63.499 -0.029 -3.430 1.00 1.00 H new ATOM 0 HE2 TYR A 50 66.442 2.778 -2.031 1.00 1.00 H new ATOM 0 HH TYR A 50 65.478 2.907 -4.054 1.00 1.00 H new ATOM 623 N SER A 51 68.198 -1.325 0.196 1.00 1.00 N ATOM 624 CA SER A 51 69.428 -1.172 -0.577 1.00 1.00 C ATOM 625 C SER A 51 70.182 -2.499 -0.694 1.00 1.00 C ATOM 626 O SER A 51 70.780 -2.795 -1.729 1.00 1.00 O ATOM 627 CB SER A 51 70.335 -0.131 0.090 1.00 1.00 C ATOM 628 OG SER A 51 71.492 0.067 -0.714 1.00 1.00 O ATOM 0 H SER A 51 68.224 -0.898 1.122 1.00 1.00 H new ATOM 0 HA SER A 51 69.155 -0.842 -1.579 1.00 1.00 H new ATOM 0 HB2 SER A 51 69.799 0.810 0.214 1.00 1.00 H new ATOM 0 HB3 SER A 51 70.623 -0.467 1.086 1.00 1.00 H new ATOM 0 HG SER A 51 72.074 0.733 -0.292 1.00 1.00 H new ATOM 634 N ASN A 52 70.182 -3.273 0.387 1.00 1.00 N ATOM 635 CA ASN A 52 70.904 -4.545 0.413 1.00 1.00 C ATOM 636 C ASN A 52 70.178 -5.665 -0.327 1.00 1.00 C ATOM 637 O ASN A 52 70.691 -6.189 -1.317 1.00 1.00 O ATOM 638 CB ASN A 52 71.135 -4.964 1.867 1.00 1.00 C ATOM 639 CG ASN A 52 72.135 -4.017 2.523 1.00 1.00 C ATOM 640 OD1 ASN A 52 71.991 -3.678 3.696 1.00 1.00 O ATOM 641 ND2 ASN A 52 73.148 -3.571 1.831 1.00 1.00 N ATOM 0 H ASN A 52 69.694 -3.045 1.253 1.00 1.00 H new ATOM 0 HA ASN A 52 71.850 -4.385 -0.104 1.00 1.00 H new ATOM 0 HB2 ASN A 52 70.192 -4.949 2.414 1.00 1.00 H new ATOM 0 HB3 ASN A 52 71.509 -5.987 1.906 1.00 1.00 H new ATOM 0 HD21 ASN A 52 73.823 -2.940 2.263 1.00 1.00 H new ATOM 0 HD22 ASN A 52 73.265 -3.854 0.858 1.00 1.00 H new ATOM 648 N SER A 53 69.004 -6.054 0.157 1.00 1.00 N ATOM 649 CA SER A 53 68.261 -7.143 -0.478 1.00 1.00 C ATOM 650 C SER A 53 67.521 -6.659 -1.707 1.00 1.00 C ATOM 651 O SER A 53 66.342 -6.953 -1.900 1.00 1.00 O ATOM 652 CB SER A 53 67.281 -7.757 0.506 1.00 1.00 C ATOM 653 OG SER A 53 68.021 -8.482 1.479 1.00 1.00 O ATOM 0 H SER A 53 68.550 -5.642 0.972 1.00 1.00 H new ATOM 0 HA SER A 53 68.981 -7.901 -0.788 1.00 1.00 H new ATOM 0 HB2 SER A 53 66.685 -6.979 0.984 1.00 1.00 H new ATOM 0 HB3 SER A 53 66.586 -8.418 -0.012 1.00 1.00 H new ATOM 0 HG SER A 53 67.696 -9.406 1.516 1.00 1.00 H new ATOM 659 N ALA A 54 68.234 -5.936 -2.550 1.00 1.00 N ATOM 660 CA ALA A 54 67.659 -5.431 -3.777 1.00 1.00 C ATOM 661 C ALA A 54 67.054 -6.590 -4.558 1.00 1.00 C ATOM 662 O ALA A 54 66.179 -6.402 -5.404 1.00 1.00 O ATOM 663 CB ALA A 54 68.737 -4.749 -4.621 1.00 1.00 C ATOM 0 H ALA A 54 69.212 -5.687 -2.405 1.00 1.00 H new ATOM 0 HA ALA A 54 66.885 -4.701 -3.540 1.00 1.00 H new ATOM 0 HB1 ALA A 54 68.293 -4.372 -5.543 1.00 1.00 H new ATOM 0 HB2 ALA A 54 69.168 -3.919 -4.060 1.00 1.00 H new ATOM 0 HB3 ALA A 54 69.519 -5.469 -4.863 1.00 1.00 H new ATOM 669 N LEU A 55 67.556 -7.793 -4.278 1.00 1.00 N ATOM 670 CA LEU A 55 67.093 -9.000 -4.971 1.00 1.00 C ATOM 671 C LEU A 55 65.878 -9.616 -4.274 1.00 1.00 C ATOM 672 O LEU A 55 64.825 -9.766 -4.882 1.00 1.00 O ATOM 673 CB LEU A 55 68.234 -10.036 -5.027 1.00 1.00 C ATOM 674 CG LEU A 55 69.365 -9.545 -5.971 1.00 1.00 C ATOM 675 CD1 LEU A 55 70.374 -8.702 -5.185 1.00 1.00 C ATOM 676 CD2 LEU A 55 70.106 -10.745 -6.589 1.00 1.00 C ATOM 0 H LEU A 55 68.280 -7.960 -3.579 1.00 1.00 H new ATOM 0 HA LEU A 55 66.797 -8.715 -5.981 1.00 1.00 H new ATOM 0 HB2 LEU A 55 68.633 -10.201 -4.026 1.00 1.00 H new ATOM 0 HB3 LEU A 55 67.848 -10.993 -5.378 1.00 1.00 H new ATOM 0 HG LEU A 55 68.913 -8.946 -6.762 1.00 1.00 H new ATOM 0 HD11 LEU A 55 71.164 -8.362 -5.855 1.00 1.00 H new ATOM 0 HD12 LEU A 55 69.868 -7.839 -4.752 1.00 1.00 H new ATOM 0 HD13 LEU A 55 70.809 -9.305 -4.388 1.00 1.00 H new ATOM 0 HD21 LEU A 55 70.896 -10.385 -7.248 1.00 1.00 H new ATOM 0 HD22 LEU A 55 70.544 -11.350 -5.795 1.00 1.00 H new ATOM 0 HD23 LEU A 55 69.404 -11.351 -7.162 1.00 1.00 H new ATOM 688 N GLY A 56 66.035 -9.971 -3.005 1.00 1.00 N ATOM 689 CA GLY A 56 64.944 -10.583 -2.239 1.00 1.00 C ATOM 690 C GLY A 56 63.582 -9.971 -2.572 1.00 1.00 C ATOM 691 O GLY A 56 62.561 -10.660 -2.540 1.00 1.00 O ATOM 0 H GLY A 56 66.902 -9.848 -2.481 1.00 1.00 H new ATOM 0 HA2 GLY A 56 64.917 -11.654 -2.442 1.00 1.00 H new ATOM 0 HA3 GLY A 56 65.141 -10.465 -1.173 1.00 1.00 H new ATOM 695 N HIS A 57 63.564 -8.682 -2.879 1.00 1.00 N ATOM 696 CA HIS A 57 62.310 -7.995 -3.199 1.00 1.00 C ATOM 697 C HIS A 57 61.582 -8.692 -4.361 1.00 1.00 C ATOM 698 O HIS A 57 60.413 -8.410 -4.612 1.00 1.00 O ATOM 699 CB HIS A 57 62.618 -6.537 -3.604 1.00 1.00 C ATOM 700 CG HIS A 57 62.540 -5.617 -2.416 1.00 1.00 C ATOM 701 ND1 HIS A 57 61.455 -4.782 -2.202 1.00 1.00 N ATOM 702 CD2 HIS A 57 63.409 -5.378 -1.379 1.00 1.00 C ATOM 703 CE1 HIS A 57 61.696 -4.083 -1.078 1.00 1.00 C ATOM 704 NE2 HIS A 57 62.873 -4.409 -0.537 1.00 1.00 N ATOM 0 H HIS A 57 64.394 -8.090 -2.915 1.00 1.00 H new ATOM 0 HA HIS A 57 61.669 -8.019 -2.318 1.00 1.00 H new ATOM 0 HB2 HIS A 57 63.613 -6.482 -4.046 1.00 1.00 H new ATOM 0 HB3 HIS A 57 61.911 -6.211 -4.367 1.00 1.00 H new ATOM 0 HD2 HIS A 57 64.362 -5.867 -1.239 1.00 1.00 H new ATOM 0 HE1 HIS A 57 61.021 -3.349 -0.664 1.00 1.00 H new ATOM 0 HE2 HIS A 57 63.290 -4.028 0.313 1.00 1.00 H new ATOM 712 N VAL A 58 62.284 -9.555 -5.095 1.00 1.00 N ATOM 713 CA VAL A 58 61.679 -10.220 -6.252 1.00 1.00 C ATOM 714 C VAL A 58 60.741 -11.369 -5.873 1.00 1.00 C ATOM 715 O VAL A 58 59.540 -11.288 -6.134 1.00 1.00 O ATOM 716 CB VAL A 58 62.786 -10.719 -7.194 1.00 1.00 C ATOM 717 CG1 VAL A 58 63.596 -11.848 -6.535 1.00 1.00 C ATOM 718 CG2 VAL A 58 62.150 -11.219 -8.497 1.00 1.00 C ATOM 0 H VAL A 58 63.256 -9.808 -4.915 1.00 1.00 H new ATOM 0 HA VAL A 58 61.059 -9.480 -6.757 1.00 1.00 H new ATOM 0 HB VAL A 58 63.467 -9.896 -7.409 1.00 1.00 H new ATOM 0 HG11 VAL A 58 64.374 -12.185 -7.220 1.00 1.00 H new ATOM 0 HG12 VAL A 58 64.055 -11.479 -5.618 1.00 1.00 H new ATOM 0 HG13 VAL A 58 62.934 -12.681 -6.299 1.00 1.00 H new ATOM 0 HG21 VAL A 58 62.930 -11.574 -9.170 1.00 1.00 H new ATOM 0 HG22 VAL A 58 61.462 -12.035 -8.276 1.00 1.00 H new ATOM 0 HG23 VAL A 58 61.605 -10.403 -8.972 1.00 1.00 H new ATOM 728 N ASN A 59 61.259 -12.445 -5.280 1.00 1.00 N ATOM 729 CA ASN A 59 60.393 -13.563 -4.928 1.00 1.00 C ATOM 730 C ASN A 59 59.453 -13.211 -3.798 1.00 1.00 C ATOM 731 O ASN A 59 58.296 -13.630 -3.786 1.00 1.00 O ATOM 732 CB ASN A 59 61.173 -14.807 -4.540 1.00 1.00 C ATOM 733 CG ASN A 59 62.138 -15.193 -5.655 1.00 1.00 C ATOM 734 OD1 ASN A 59 61.806 -14.971 -6.897 1.00 1.00 O flip ATOM 735 ND2 ASN A 59 63.223 -15.708 -5.388 1.00 1.00 N flip ATOM 0 H ASN A 59 62.243 -12.563 -5.040 1.00 1.00 H new ATOM 0 HA ASN A 59 59.818 -13.777 -5.829 1.00 1.00 H new ATOM 0 HB2 ASN A 59 61.725 -14.626 -3.618 1.00 1.00 H new ATOM 0 HB3 ASN A 59 60.485 -15.630 -4.343 1.00 1.00 H new ATOM 0 HD21 ASN A 59 63.480 -15.881 -4.416 1.00 1.00 H new ATOM 0 HD22 ASN A 59 63.865 -15.962 -6.138 1.00 1.00 H new ATOM 742 N SER A 60 59.953 -12.453 -2.834 1.00 1.00 N ATOM 743 CA SER A 60 59.129 -12.077 -1.702 1.00 1.00 C ATOM 744 C SER A 60 57.820 -11.515 -2.214 1.00 1.00 C ATOM 745 O SER A 60 56.759 -11.763 -1.661 1.00 1.00 O ATOM 746 CB SER A 60 59.845 -11.031 -0.848 1.00 1.00 C ATOM 747 OG SER A 60 58.901 -10.394 0.003 1.00 1.00 O ATOM 0 H SER A 60 60.907 -12.093 -2.814 1.00 1.00 H new ATOM 0 HA SER A 60 58.939 -12.955 -1.084 1.00 1.00 H new ATOM 0 HB2 SER A 60 60.627 -11.503 -0.254 1.00 1.00 H new ATOM 0 HB3 SER A 60 60.331 -10.294 -1.487 1.00 1.00 H new ATOM 0 HG SER A 60 59.357 -9.723 0.553 1.00 1.00 H new ATOM 753 N THR A 61 57.898 -10.771 -3.289 1.00 1.00 N ATOM 754 CA THR A 61 56.706 -10.199 -3.862 1.00 1.00 C ATOM 755 C THR A 61 55.741 -11.281 -4.332 1.00 1.00 C ATOM 756 O THR A 61 54.551 -11.231 -4.041 1.00 1.00 O ATOM 757 CB THR A 61 57.087 -9.317 -5.056 1.00 1.00 C ATOM 758 OG1 THR A 61 58.082 -8.391 -4.652 1.00 1.00 O ATOM 759 CG2 THR A 61 55.861 -8.557 -5.565 1.00 1.00 C ATOM 0 H THR A 61 58.764 -10.549 -3.780 1.00 1.00 H new ATOM 0 HA THR A 61 56.212 -9.606 -3.092 1.00 1.00 H new ATOM 0 HB THR A 61 57.469 -9.947 -5.859 1.00 1.00 H new ATOM 0 HG1 THR A 61 58.958 -8.829 -4.657 1.00 1.00 H new ATOM 0 HG21 THR A 61 56.145 -7.934 -6.413 1.00 1.00 H new ATOM 0 HG22 THR A 61 55.096 -9.268 -5.877 1.00 1.00 H new ATOM 0 HG23 THR A 61 55.467 -7.927 -4.768 1.00 1.00 H new ATOM 767 N ILE A 62 56.247 -12.240 -5.089 1.00 1.00 N ATOM 768 CA ILE A 62 55.386 -13.286 -5.613 1.00 1.00 C ATOM 769 C ILE A 62 54.877 -14.195 -4.500 1.00 1.00 C ATOM 770 O ILE A 62 53.698 -14.550 -4.461 1.00 1.00 O ATOM 771 CB ILE A 62 56.127 -14.115 -6.655 1.00 1.00 C ATOM 772 CG1 ILE A 62 56.761 -13.164 -7.694 1.00 1.00 C ATOM 773 CG2 ILE A 62 55.127 -15.044 -7.357 1.00 1.00 C ATOM 774 CD1 ILE A 62 57.870 -13.878 -8.453 1.00 1.00 C ATOM 0 H ILE A 62 57.230 -12.316 -5.351 1.00 1.00 H new ATOM 0 HA ILE A 62 54.529 -12.803 -6.081 1.00 1.00 H new ATOM 0 HB ILE A 62 56.906 -14.709 -6.177 1.00 1.00 H new ATOM 0 HG12 ILE A 62 55.999 -12.816 -8.391 1.00 1.00 H new ATOM 0 HG13 ILE A 62 57.162 -12.283 -7.194 1.00 1.00 H new ATOM 0 HG21 ILE A 62 55.649 -15.641 -8.105 1.00 1.00 H new ATOM 0 HG22 ILE A 62 54.666 -15.704 -6.622 1.00 1.00 H new ATOM 0 HG23 ILE A 62 54.355 -14.447 -7.843 1.00 1.00 H new ATOM 0 HD11 ILE A 62 58.309 -13.197 -9.182 1.00 1.00 H new ATOM 0 HD12 ILE A 62 58.639 -14.204 -7.752 1.00 1.00 H new ATOM 0 HD13 ILE A 62 57.458 -14.745 -8.969 1.00 1.00 H new ATOM 786 N LYS A 63 55.781 -14.588 -3.613 1.00 1.00 N ATOM 787 CA LYS A 63 55.425 -15.483 -2.517 1.00 1.00 C ATOM 788 C LYS A 63 54.502 -14.829 -1.477 1.00 1.00 C ATOM 789 O LYS A 63 53.526 -15.434 -1.030 1.00 1.00 O ATOM 790 CB LYS A 63 56.714 -15.963 -1.813 1.00 1.00 C ATOM 791 CG LYS A 63 57.447 -16.955 -2.718 1.00 1.00 C ATOM 792 CD LYS A 63 58.739 -17.408 -2.037 1.00 1.00 C ATOM 793 CE LYS A 63 59.474 -18.401 -2.939 1.00 1.00 C ATOM 794 NZ LYS A 63 60.768 -18.782 -2.304 1.00 1.00 N ATOM 0 H LYS A 63 56.761 -14.304 -3.629 1.00 1.00 H new ATOM 0 HA LYS A 63 54.878 -16.318 -2.954 1.00 1.00 H new ATOM 0 HB2 LYS A 63 57.358 -15.112 -1.590 1.00 1.00 H new ATOM 0 HB3 LYS A 63 56.468 -16.435 -0.862 1.00 1.00 H new ATOM 0 HG2 LYS A 63 56.810 -17.816 -2.923 1.00 1.00 H new ATOM 0 HG3 LYS A 63 57.673 -16.490 -3.678 1.00 1.00 H new ATOM 0 HD2 LYS A 63 59.375 -16.547 -1.833 1.00 1.00 H new ATOM 0 HD3 LYS A 63 58.513 -17.872 -1.077 1.00 1.00 H new ATOM 0 HE2 LYS A 63 58.860 -19.287 -3.099 1.00 1.00 H new ATOM 0 HE3 LYS A 63 59.653 -17.956 -3.918 1.00 1.00 H new ATOM 0 HZ1 LYS A 63 61.269 -19.457 -2.916 1.00 1.00 H new ATOM 0 HZ2 LYS A 63 61.354 -17.933 -2.173 1.00 1.00 H new ATOM 0 HZ3 LYS A 63 60.585 -19.222 -1.380 1.00 1.00 H new ATOM 808 N GLU A 64 54.865 -13.624 -1.047 1.00 1.00 N ATOM 809 CA GLU A 64 54.125 -12.918 0.007 1.00 1.00 C ATOM 810 C GLU A 64 52.780 -12.318 -0.429 1.00 1.00 C ATOM 811 O GLU A 64 51.895 -12.130 0.405 1.00 1.00 O ATOM 812 CB GLU A 64 54.994 -11.794 0.564 1.00 1.00 C ATOM 813 CG GLU A 64 56.345 -12.355 1.014 1.00 1.00 C ATOM 814 CD GLU A 64 56.164 -13.215 2.259 1.00 1.00 C ATOM 815 OE1 GLU A 64 55.151 -13.058 2.922 1.00 1.00 O ATOM 816 OE2 GLU A 64 57.045 -14.014 2.537 1.00 1.00 O ATOM 0 H GLU A 64 55.668 -13.111 -1.410 1.00 1.00 H new ATOM 0 HA GLU A 64 53.893 -13.677 0.754 1.00 1.00 H new ATOM 0 HB2 GLU A 64 55.144 -11.027 -0.196 1.00 1.00 H new ATOM 0 HB3 GLU A 64 54.491 -11.316 1.404 1.00 1.00 H new ATOM 0 HG2 GLU A 64 56.787 -12.948 0.213 1.00 1.00 H new ATOM 0 HG3 GLU A 64 57.036 -11.538 1.224 1.00 1.00 H new ATOM 823 N LEU A 65 52.632 -11.952 -1.694 1.00 1.00 N ATOM 824 CA LEU A 65 51.385 -11.306 -2.130 1.00 1.00 C ATOM 825 C LEU A 65 50.144 -12.121 -1.764 1.00 1.00 C ATOM 826 O LEU A 65 49.374 -11.720 -0.892 1.00 1.00 O ATOM 827 CB LEU A 65 51.426 -11.030 -3.655 1.00 1.00 C ATOM 828 CG LEU A 65 51.646 -9.529 -3.929 1.00 1.00 C ATOM 829 CD1 LEU A 65 52.850 -8.990 -3.119 1.00 1.00 C ATOM 830 CD2 LEU A 65 51.876 -9.326 -5.434 1.00 1.00 C ATOM 0 H LEU A 65 53.332 -12.082 -2.424 1.00 1.00 H new ATOM 0 HA LEU A 65 51.310 -10.359 -1.596 1.00 1.00 H new ATOM 0 HB2 LEU A 65 52.227 -11.610 -4.114 1.00 1.00 H new ATOM 0 HB3 LEU A 65 50.493 -11.356 -4.114 1.00 1.00 H new ATOM 0 HG LEU A 65 50.762 -8.974 -3.615 1.00 1.00 H new ATOM 0 HD11 LEU A 65 52.985 -7.929 -3.330 1.00 1.00 H new ATOM 0 HD12 LEU A 65 52.663 -9.128 -2.054 1.00 1.00 H new ATOM 0 HD13 LEU A 65 53.752 -9.533 -3.402 1.00 1.00 H new ATOM 0 HD21 LEU A 65 52.033 -8.267 -5.639 1.00 1.00 H new ATOM 0 HD22 LEU A 65 52.755 -9.890 -5.747 1.00 1.00 H new ATOM 0 HD23 LEU A 65 51.004 -9.677 -5.986 1.00 1.00 H new ATOM 842 N ARG A 66 49.937 -13.244 -2.431 1.00 1.00 N ATOM 843 CA ARG A 66 48.762 -14.061 -2.150 1.00 1.00 C ATOM 844 C ARG A 66 48.626 -14.289 -0.645 1.00 1.00 C ATOM 845 O ARG A 66 47.522 -14.336 -0.105 1.00 1.00 O ATOM 846 CB ARG A 66 48.882 -15.405 -2.877 1.00 1.00 C ATOM 847 CG ARG A 66 50.185 -16.100 -2.470 1.00 1.00 C ATOM 848 CD ARG A 66 50.311 -17.428 -3.218 1.00 1.00 C ATOM 849 NE ARG A 66 50.425 -17.188 -4.652 1.00 1.00 N ATOM 850 CZ ARG A 66 50.436 -18.193 -5.521 1.00 1.00 C ATOM 851 NH1 ARG A 66 50.343 -19.424 -5.097 1.00 1.00 N ATOM 852 NH2 ARG A 66 50.541 -17.948 -6.798 1.00 1.00 N ATOM 0 H ARG A 66 50.553 -13.608 -3.158 1.00 1.00 H new ATOM 0 HA ARG A 66 47.873 -13.540 -2.505 1.00 1.00 H new ATOM 0 HB2 ARG A 66 48.029 -16.039 -2.633 1.00 1.00 H new ATOM 0 HB3 ARG A 66 48.864 -15.248 -3.956 1.00 1.00 H new ATOM 0 HG2 ARG A 66 51.037 -15.460 -2.698 1.00 1.00 H new ATOM 0 HG3 ARG A 66 50.196 -16.274 -1.394 1.00 1.00 H new ATOM 0 HD2 ARG A 66 51.185 -17.973 -2.862 1.00 1.00 H new ATOM 0 HD3 ARG A 66 49.441 -18.053 -3.014 1.00 1.00 H new ATOM 0 HE ARG A 66 50.498 -16.230 -4.994 1.00 1.00 H new ATOM 0 HH11 ARG A 66 50.262 -19.615 -4.098 1.00 1.00 H new ATOM 0 HH12 ARG A 66 50.351 -20.195 -5.764 1.00 1.00 H new ATOM 0 HH21 ARG A 66 50.615 -16.986 -7.128 1.00 1.00 H new ATOM 0 HH22 ARG A 66 50.550 -18.719 -7.466 1.00 1.00 H new ATOM 866 N ARG A 67 49.766 -14.437 0.014 1.00 1.00 N ATOM 867 CA ARG A 67 49.818 -14.672 1.441 1.00 1.00 C ATOM 868 C ARG A 67 49.367 -13.460 2.252 1.00 1.00 C ATOM 869 O ARG A 67 48.690 -13.611 3.268 1.00 1.00 O ATOM 870 CB ARG A 67 51.257 -15.007 1.804 1.00 1.00 C ATOM 871 CG ARG A 67 51.338 -15.360 3.282 1.00 1.00 C ATOM 872 CD ARG A 67 52.763 -15.807 3.628 1.00 1.00 C ATOM 873 NE ARG A 67 53.059 -17.086 2.996 1.00 1.00 N ATOM 874 CZ ARG A 67 54.250 -17.659 3.130 1.00 1.00 C ATOM 875 NH1 ARG A 67 55.183 -17.072 3.830 1.00 1.00 N ATOM 876 NH2 ARG A 67 54.490 -18.807 2.560 1.00 1.00 N ATOM 0 H ARG A 67 50.682 -14.396 -0.432 1.00 1.00 H new ATOM 0 HA ARG A 67 49.137 -15.488 1.681 1.00 1.00 H new ATOM 0 HB2 ARG A 67 51.611 -15.842 1.200 1.00 1.00 H new ATOM 0 HB3 ARG A 67 51.905 -14.158 1.586 1.00 1.00 H new ATOM 0 HG2 ARG A 67 51.060 -14.498 3.888 1.00 1.00 H new ATOM 0 HG3 ARG A 67 50.630 -16.155 3.515 1.00 1.00 H new ATOM 0 HD2 ARG A 67 53.478 -15.055 3.295 1.00 1.00 H new ATOM 0 HD3 ARG A 67 52.872 -15.894 4.709 1.00 1.00 H new ATOM 0 HE ARG A 67 52.339 -17.549 2.441 1.00 1.00 H new ATOM 0 HH11 ARG A 67 54.998 -16.173 4.274 1.00 1.00 H new ATOM 0 HH12 ARG A 67 56.097 -17.513 3.932 1.00 1.00 H new ATOM 0 HH21 ARG A 67 53.763 -19.266 2.011 1.00 1.00 H new ATOM 0 HH22 ARG A 67 55.405 -19.246 2.663 1.00 1.00 H new ATOM 890 N LEU A 68 49.781 -12.269 1.837 1.00 1.00 N ATOM 891 CA LEU A 68 49.443 -11.062 2.596 1.00 1.00 C ATOM 892 C LEU A 68 47.928 -10.867 2.650 1.00 1.00 C ATOM 893 O LEU A 68 47.367 -10.542 3.697 1.00 1.00 O ATOM 894 CB LEU A 68 50.113 -9.812 1.967 1.00 1.00 C ATOM 895 CG LEU A 68 50.439 -8.758 3.050 1.00 1.00 C ATOM 896 CD1 LEU A 68 49.203 -8.479 3.911 1.00 1.00 C ATOM 897 CD2 LEU A 68 51.599 -9.256 3.948 1.00 1.00 C ATOM 0 H LEU A 68 50.339 -12.109 0.998 1.00 1.00 H new ATOM 0 HA LEU A 68 49.819 -11.187 3.611 1.00 1.00 H new ATOM 0 HB2 LEU A 68 51.028 -10.105 1.452 1.00 1.00 H new ATOM 0 HB3 LEU A 68 49.451 -9.377 1.218 1.00 1.00 H new ATOM 0 HG LEU A 68 50.741 -7.835 2.554 1.00 1.00 H new ATOM 0 HD11 LEU A 68 49.448 -7.735 4.669 1.00 1.00 H new ATOM 0 HD12 LEU A 68 48.398 -8.103 3.280 1.00 1.00 H new ATOM 0 HD13 LEU A 68 48.883 -9.400 4.397 1.00 1.00 H new ATOM 0 HD21 LEU A 68 51.820 -8.505 4.707 1.00 1.00 H new ATOM 0 HD22 LEU A 68 51.309 -10.188 4.433 1.00 1.00 H new ATOM 0 HD23 LEU A 68 52.485 -9.425 3.337 1.00 1.00 H new ATOM 909 N PHE A 69 47.277 -11.045 1.514 1.00 1.00 N ATOM 910 CA PHE A 69 45.832 -10.858 1.434 1.00 1.00 C ATOM 911 C PHE A 69 45.099 -11.861 2.316 1.00 1.00 C ATOM 912 O PHE A 69 44.088 -11.526 2.933 1.00 1.00 O ATOM 913 CB PHE A 69 45.375 -11.004 -0.018 1.00 1.00 C ATOM 914 CG PHE A 69 46.178 -10.098 -0.953 1.00 1.00 C ATOM 915 CD1 PHE A 69 46.924 -8.988 -0.480 1.00 1.00 C ATOM 916 CD2 PHE A 69 46.170 -10.385 -2.323 1.00 1.00 C ATOM 917 CE1 PHE A 69 47.644 -8.193 -1.377 1.00 1.00 C ATOM 918 CE2 PHE A 69 46.890 -9.590 -3.219 1.00 1.00 C ATOM 919 CZ PHE A 69 47.630 -8.491 -2.750 1.00 1.00 C ATOM 0 H PHE A 69 47.720 -11.317 0.636 1.00 1.00 H new ATOM 0 HA PHE A 69 45.593 -9.857 1.793 1.00 1.00 H new ATOM 0 HB2 PHE A 69 45.485 -12.042 -0.332 1.00 1.00 H new ATOM 0 HB3 PHE A 69 44.316 -10.759 -0.093 1.00 1.00 H new ATOM 0 HD1 PHE A 69 46.936 -8.757 0.575 1.00 1.00 H new ATOM 0 HD2 PHE A 69 45.603 -11.227 -2.691 1.00 1.00 H new ATOM 0 HE1 PHE A 69 48.212 -7.349 -1.014 1.00 1.00 H new ATOM 0 HE2 PHE A 69 46.878 -9.821 -4.274 1.00 1.00 H new ATOM 0 HZ PHE A 69 48.186 -7.877 -3.443 1.00 1.00 H new ATOM 929 N LEU A 70 45.603 -13.085 2.379 1.00 1.00 N ATOM 930 CA LEU A 70 44.959 -14.106 3.198 1.00 1.00 C ATOM 931 C LEU A 70 44.966 -13.667 4.667 1.00 1.00 C ATOM 932 O LEU A 70 43.982 -13.845 5.383 1.00 1.00 O ATOM 933 CB LEU A 70 45.688 -15.462 3.039 1.00 1.00 C ATOM 934 CG LEU A 70 44.697 -16.635 3.194 1.00 1.00 C ATOM 935 CD1 LEU A 70 43.949 -16.511 4.529 1.00 1.00 C ATOM 936 CD2 LEU A 70 43.685 -16.641 2.018 1.00 1.00 C ATOM 0 H LEU A 70 46.440 -13.393 1.884 1.00 1.00 H new ATOM 0 HA LEU A 70 43.928 -14.230 2.867 1.00 1.00 H new ATOM 0 HB2 LEU A 70 46.167 -15.511 2.061 1.00 1.00 H new ATOM 0 HB3 LEU A 70 46.478 -15.546 3.785 1.00 1.00 H new ATOM 0 HG LEU A 70 45.254 -17.572 3.182 1.00 1.00 H new ATOM 0 HD11 LEU A 70 43.251 -17.341 4.633 1.00 1.00 H new ATOM 0 HD12 LEU A 70 44.665 -16.533 5.351 1.00 1.00 H new ATOM 0 HD13 LEU A 70 43.400 -15.570 4.552 1.00 1.00 H new ATOM 0 HD21 LEU A 70 42.991 -17.473 2.139 1.00 1.00 H new ATOM 0 HD22 LEU A 70 43.129 -15.703 2.012 1.00 1.00 H new ATOM 0 HD23 LEU A 70 44.222 -16.751 1.076 1.00 1.00 H new ATOM 948 N VAL A 71 46.086 -13.092 5.110 1.00 1.00 N ATOM 949 CA VAL A 71 46.214 -12.633 6.500 1.00 1.00 C ATOM 950 C VAL A 71 45.793 -11.162 6.647 1.00 1.00 C ATOM 951 O VAL A 71 45.552 -10.690 7.758 1.00 1.00 O ATOM 952 CB VAL A 71 47.654 -12.852 7.021 1.00 1.00 C ATOM 953 CG1 VAL A 71 48.683 -12.012 6.239 1.00 1.00 C ATOM 954 CG2 VAL A 71 47.712 -12.474 8.505 1.00 1.00 C ATOM 0 H VAL A 71 46.913 -12.933 4.534 1.00 1.00 H new ATOM 0 HA VAL A 71 45.537 -13.231 7.110 1.00 1.00 H new ATOM 0 HB VAL A 71 47.908 -13.903 6.881 1.00 1.00 H new ATOM 0 HG11 VAL A 71 49.681 -12.196 6.637 1.00 1.00 H new ATOM 0 HG12 VAL A 71 48.656 -12.291 5.186 1.00 1.00 H new ATOM 0 HG13 VAL A 71 48.441 -10.954 6.340 1.00 1.00 H new ATOM 0 HG21 VAL A 71 48.724 -12.626 8.880 1.00 1.00 H new ATOM 0 HG22 VAL A 71 47.434 -11.427 8.625 1.00 1.00 H new ATOM 0 HG23 VAL A 71 47.019 -13.100 9.067 1.00 1.00 H new ATOM 964 N ASP A 72 45.693 -10.444 5.528 1.00 1.00 N ATOM 965 CA ASP A 72 45.289 -9.039 5.563 1.00 1.00 C ATOM 966 C ASP A 72 46.099 -8.254 6.594 1.00 1.00 C ATOM 967 O ASP A 72 45.574 -7.839 7.627 1.00 1.00 O ATOM 968 CB ASP A 72 43.799 -8.935 5.899 1.00 1.00 C ATOM 969 CG ASP A 72 43.317 -7.503 5.696 1.00 1.00 C ATOM 970 OD1 ASP A 72 44.156 -6.635 5.519 1.00 1.00 O ATOM 971 OD2 ASP A 72 42.115 -7.296 5.717 1.00 1.00 O ATOM 0 H ASP A 72 45.884 -10.808 4.595 1.00 1.00 H new ATOM 0 HA ASP A 72 45.478 -8.610 4.579 1.00 1.00 H new ATOM 0 HB2 ASP A 72 43.227 -9.613 5.266 1.00 1.00 H new ATOM 0 HB3 ASP A 72 43.628 -9.242 6.931 1.00 1.00 H new ATOM 976 N ASP A 73 47.384 -8.047 6.301 1.00 1.00 N ATOM 977 CA ASP A 73 48.276 -7.300 7.196 1.00 1.00 C ATOM 978 C ASP A 73 48.813 -6.060 6.489 1.00 1.00 C ATOM 979 O ASP A 73 49.855 -5.522 6.867 1.00 1.00 O ATOM 980 CB ASP A 73 49.447 -8.186 7.631 1.00 1.00 C ATOM 981 CG ASP A 73 48.978 -9.207 8.662 1.00 1.00 C ATOM 982 OD1 ASP A 73 47.855 -9.083 9.122 1.00 1.00 O ATOM 983 OD2 ASP A 73 49.747 -10.101 8.975 1.00 1.00 O ATOM 0 H ASP A 73 47.833 -8.386 5.450 1.00 1.00 H new ATOM 0 HA ASP A 73 47.709 -6.994 8.075 1.00 1.00 H new ATOM 0 HB2 ASP A 73 49.866 -8.698 6.765 1.00 1.00 H new ATOM 0 HB3 ASP A 73 50.242 -7.570 8.053 1.00 1.00 H new ATOM 988 N LEU A 74 48.105 -5.613 5.456 1.00 1.00 N ATOM 989 CA LEU A 74 48.534 -4.440 4.702 1.00 1.00 C ATOM 990 C LEU A 74 48.580 -3.206 5.598 1.00 1.00 C ATOM 991 O LEU A 74 49.528 -2.426 5.537 1.00 1.00 O ATOM 992 CB LEU A 74 47.586 -4.190 3.523 1.00 1.00 C ATOM 993 CG LEU A 74 47.770 -5.273 2.450 1.00 1.00 C ATOM 994 CD1 LEU A 74 46.618 -5.190 1.445 1.00 1.00 C ATOM 995 CD2 LEU A 74 49.109 -5.079 1.705 1.00 1.00 C ATOM 0 H LEU A 74 47.240 -6.040 5.124 1.00 1.00 H new ATOM 0 HA LEU A 74 49.537 -4.631 4.321 1.00 1.00 H new ATOM 0 HB2 LEU A 74 46.554 -4.187 3.872 1.00 1.00 H new ATOM 0 HB3 LEU A 74 47.780 -3.207 3.094 1.00 1.00 H new ATOM 0 HG LEU A 74 47.776 -6.249 2.935 1.00 1.00 H new ATOM 0 HD11 LEU A 74 46.745 -5.957 0.682 1.00 1.00 H new ATOM 0 HD12 LEU A 74 45.672 -5.346 1.963 1.00 1.00 H new ATOM 0 HD13 LEU A 74 46.616 -4.207 0.974 1.00 1.00 H new ATOM 0 HD21 LEU A 74 49.221 -5.856 0.949 1.00 1.00 H new ATOM 0 HD22 LEU A 74 49.119 -4.101 1.224 1.00 1.00 H new ATOM 0 HD23 LEU A 74 49.933 -5.143 2.415 1.00 1.00 H new ATOM 1007 N VAL A 75 47.565 -3.038 6.435 1.00 1.00 N ATOM 1008 CA VAL A 75 47.528 -1.894 7.340 1.00 1.00 C ATOM 1009 C VAL A 75 48.593 -2.037 8.424 1.00 1.00 C ATOM 1010 O VAL A 75 49.243 -1.066 8.810 1.00 1.00 O ATOM 1011 CB VAL A 75 46.128 -1.754 7.970 1.00 1.00 C ATOM 1012 CG1 VAL A 75 45.967 -2.739 9.135 1.00 1.00 C ATOM 1013 CG2 VAL A 75 45.942 -0.326 8.495 1.00 1.00 C ATOM 0 H VAL A 75 46.766 -3.668 6.507 1.00 1.00 H new ATOM 0 HA VAL A 75 47.740 -0.991 6.768 1.00 1.00 H new ATOM 0 HB VAL A 75 45.379 -1.972 7.209 1.00 1.00 H new ATOM 0 HG11 VAL A 75 44.974 -2.629 9.570 1.00 1.00 H new ATOM 0 HG12 VAL A 75 46.092 -3.758 8.770 1.00 1.00 H new ATOM 0 HG13 VAL A 75 46.721 -2.531 9.894 1.00 1.00 H new ATOM 0 HG21 VAL A 75 44.952 -0.228 8.940 1.00 1.00 H new ATOM 0 HG22 VAL A 75 46.701 -0.113 9.248 1.00 1.00 H new ATOM 0 HG23 VAL A 75 46.041 0.380 7.671 1.00 1.00 H new ATOM 1023 N ASP A 76 48.754 -3.261 8.915 1.00 1.00 N ATOM 1024 CA ASP A 76 49.729 -3.546 9.962 1.00 1.00 C ATOM 1025 C ASP A 76 51.113 -3.813 9.377 1.00 1.00 C ATOM 1026 O ASP A 76 52.076 -4.021 10.114 1.00 1.00 O ATOM 1027 CB ASP A 76 49.270 -4.758 10.771 1.00 1.00 C ATOM 1028 CG ASP A 76 48.025 -4.408 11.578 1.00 1.00 C ATOM 1029 OD1 ASP A 76 47.807 -3.231 11.813 1.00 1.00 O ATOM 1030 OD2 ASP A 76 47.312 -5.322 11.955 1.00 1.00 O ATOM 0 H ASP A 76 48.221 -4.073 8.604 1.00 1.00 H new ATOM 0 HA ASP A 76 49.799 -2.671 10.609 1.00 1.00 H new ATOM 0 HB2 ASP A 76 49.057 -5.592 10.102 1.00 1.00 H new ATOM 0 HB3 ASP A 76 50.067 -5.082 11.440 1.00 1.00 H new ATOM 1035 N SER A 77 51.207 -3.807 8.055 1.00 1.00 N ATOM 1036 CA SER A 77 52.485 -4.051 7.397 1.00 1.00 C ATOM 1037 C SER A 77 53.535 -3.076 7.912 1.00 1.00 C ATOM 1038 O SER A 77 54.725 -3.388 7.947 1.00 1.00 O ATOM 1039 CB SER A 77 52.339 -3.889 5.884 1.00 1.00 C ATOM 1040 OG SER A 77 51.608 -4.989 5.361 1.00 1.00 O ATOM 0 H SER A 77 50.425 -3.638 7.422 1.00 1.00 H new ATOM 0 HA SER A 77 52.800 -5.070 7.620 1.00 1.00 H new ATOM 0 HB2 SER A 77 51.826 -2.955 5.655 1.00 1.00 H new ATOM 0 HB3 SER A 77 53.322 -3.836 5.416 1.00 1.00 H new ATOM 0 HG SER A 77 51.157 -5.460 6.093 1.00 1.00 H new ATOM 1046 N LEU A 78 53.080 -1.892 8.307 1.00 1.00 N ATOM 1047 CA LEU A 78 53.979 -0.866 8.819 1.00 1.00 C ATOM 1048 C LEU A 78 54.634 -1.330 10.118 1.00 1.00 C ATOM 1049 O LEU A 78 55.813 -1.077 10.353 1.00 1.00 O ATOM 1050 CB LEU A 78 53.206 0.435 9.062 1.00 1.00 C ATOM 1051 CG LEU A 78 52.413 0.802 7.803 1.00 1.00 C ATOM 1052 CD1 LEU A 78 51.571 2.051 8.083 1.00 1.00 C ATOM 1053 CD2 LEU A 78 53.373 1.088 6.633 1.00 1.00 C ATOM 0 H LEU A 78 52.097 -1.620 8.282 1.00 1.00 H new ATOM 0 HA LEU A 78 54.758 -0.687 8.078 1.00 1.00 H new ATOM 0 HB2 LEU A 78 52.530 0.316 9.909 1.00 1.00 H new ATOM 0 HB3 LEU A 78 53.897 1.239 9.317 1.00 1.00 H new ATOM 0 HG LEU A 78 51.765 -0.033 7.535 1.00 1.00 H new ATOM 0 HD11 LEU A 78 51.005 2.316 7.190 1.00 1.00 H new ATOM 0 HD12 LEU A 78 50.882 1.849 8.903 1.00 1.00 H new ATOM 0 HD13 LEU A 78 52.226 2.878 8.356 1.00 1.00 H new ATOM 0 HD21 LEU A 78 52.797 1.347 5.745 1.00 1.00 H new ATOM 0 HD22 LEU A 78 54.029 1.918 6.895 1.00 1.00 H new ATOM 0 HD23 LEU A 78 53.973 0.201 6.430 1.00 1.00 H new ATOM 1065 N LYS A 79 53.860 -2.011 10.962 1.00 1.00 N ATOM 1066 CA LYS A 79 54.372 -2.504 12.241 1.00 1.00 C ATOM 1067 C LYS A 79 53.791 -3.882 12.542 1.00 1.00 C ATOM 1068 O LYS A 79 54.349 -4.856 12.062 1.00 1.00 O ATOM 1069 CB LYS A 79 53.994 -1.536 13.365 1.00 1.00 C ATOM 1070 CG LYS A 79 54.734 -0.204 13.174 1.00 1.00 C ATOM 1071 CD LYS A 79 54.325 0.786 14.276 1.00 1.00 C ATOM 1072 CE LYS A 79 55.052 0.454 15.586 1.00 1.00 C ATOM 1073 NZ LYS A 79 54.868 1.574 16.552 1.00 1.00 N ATOM 1074 OXT LYS A 79 52.797 -3.943 13.246 1.00 1.00 O ATOM 0 H LYS A 79 52.880 -2.233 10.785 1.00 1.00 H new ATOM 0 HA LYS A 79 55.458 -2.577 12.177 1.00 1.00 H new ATOM 0 HB2 LYS A 79 52.917 -1.368 13.366 1.00 1.00 H new ATOM 0 HB3 LYS A 79 54.249 -1.969 14.332 1.00 1.00 H new ATOM 0 HG2 LYS A 79 55.811 -0.369 13.203 1.00 1.00 H new ATOM 0 HG3 LYS A 79 54.502 0.213 12.194 1.00 1.00 H new ATOM 0 HD2 LYS A 79 54.564 1.804 13.967 1.00 1.00 H new ATOM 0 HD3 LYS A 79 53.247 0.745 14.430 1.00 1.00 H new ATOM 0 HE2 LYS A 79 54.661 -0.472 16.007 1.00 1.00 H new ATOM 0 HE3 LYS A 79 56.113 0.294 15.395 1.00 1.00 H new ATOM 0 HZ1 LYS A 79 55.360 1.351 17.440 1.00 1.00 H new ATOM 0 HZ2 LYS A 79 55.261 2.448 16.149 1.00 1.00 H new ATOM 0 HZ3 LYS A 79 53.854 1.706 16.742 1.00 1.00 H new