USER MOD reduce.3.24.130724 H: found=0, std=0, add=749, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 747 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 32 LYS NZ :NH3+ -116:sc= 2.12 (180deg=-0.0732) USER MOD Set 1.2: A 33 TYR OH : rot 30:sc= -0.113 USER MOD Set 2.1: A 22 THR OG1 : rot -78:sc= 0.087 USER MOD Set 2.2: A 23 ASN :FLIP amide:sc= -1.04! C(o=-2.1!,f=-0.95!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 16:sc= 0.689 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -1 SER OG : rot 180:sc= 0 USER MOD Single : A -2 SER OG : rot 180:sc= 0 USER MOD Single : A -4 SER OG : rot 180:sc= 0 USER MOD Single : A -5 SER OG : rot 180:sc= 0 USER MOD Single : A -6 GLY N :NH3+ -125:sc= 0.0748 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 180:sc= -0.123 USER MOD Single : A 15 SER OG : rot 180:sc= -0.443 USER MOD Single : A 16 ASN : amide:sc= -0.0643 X(o=-0.064,f=-0.064) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 TYR OH : rot 124:sc= 0.288 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 MET CE :methyl -135:sc= -0.802 (180deg=-5.02!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ -169:sc= -0.0172 (180deg=-0.169) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 165:sc= -0.011 (180deg=-0.128) USER MOD Single : A 50 SER OG : rot 180:sc= -0.356 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= -0.567 K(o=-0.57,f=-3!) USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 67 CYS SG : rot 64:sc= 0.221 USER MOD Single : A 68 THR OG1 : rot 85:sc= 0.0149 USER MOD Single : A 72 ASN : amide:sc= -0.224 X(o=-0.22,f=-0.0016) USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 74 LYS NZ :NH3+ 170:sc=-0.00455 (180deg=-0.164) USER MOD Single : A 75 GLN : amide:sc=-0.00381 K(o=-0.0038,f=-0.95) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot -14:sc= 0.879 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -6 3.647 -1.846 23.197 1.00 0.00 N ATOM 2 CA GLY A -6 3.216 -0.842 24.152 1.00 0.00 C ATOM 3 C GLY A -6 2.226 0.139 23.556 1.00 0.00 C ATOM 4 O GLY A -6 1.754 -0.049 22.435 1.00 0.00 O ATOM 0 H1 GLY A -6 3.472 -2.794 23.587 1.00 0.00 H new ATOM 0 H2 GLY A -6 3.115 -1.733 22.310 1.00 0.00 H new ATOM 0 H3 GLY A -6 4.663 -1.732 23.008 1.00 0.00 H new ATOM 0 HA2 GLY A -6 2.762 -1.334 25.012 1.00 0.00 H new ATOM 0 HA3 GLY A -6 4.086 -0.297 24.519 1.00 0.00 H new ATOM 8 N SER A -5 1.909 1.188 24.308 1.00 0.00 N ATOM 9 CA SER A -5 0.964 2.200 23.849 1.00 0.00 C ATOM 10 C SER A -5 1.166 2.499 22.366 1.00 0.00 C ATOM 11 O SER A -5 2.287 2.738 21.917 1.00 0.00 O ATOM 12 CB SER A -5 1.122 3.484 24.666 1.00 0.00 C ATOM 13 OG SER A -5 0.001 4.335 24.500 1.00 0.00 O ATOM 0 H SER A -5 2.292 1.360 25.238 1.00 0.00 H new ATOM 0 HA SER A -5 -0.044 1.810 23.989 1.00 0.00 H new ATOM 0 HB2 SER A -5 1.241 3.235 25.721 1.00 0.00 H new ATOM 0 HB3 SER A -5 2.028 4.006 24.357 1.00 0.00 H new ATOM 0 HG SER A -5 0.125 5.148 25.033 1.00 0.00 H new ATOM 19 N SER A -4 0.072 2.484 21.612 1.00 0.00 N ATOM 20 CA SER A -4 0.128 2.749 20.179 1.00 0.00 C ATOM 21 C SER A -4 0.367 4.232 19.910 1.00 0.00 C ATOM 22 O SER A -4 1.285 4.601 19.179 1.00 0.00 O ATOM 23 CB SER A -4 -1.170 2.300 19.505 1.00 0.00 C ATOM 24 OG SER A -4 -1.197 2.688 18.142 1.00 0.00 O ATOM 0 H SER A -4 -0.864 2.291 21.969 1.00 0.00 H new ATOM 0 HA SER A -4 0.961 2.183 19.762 1.00 0.00 H new ATOM 0 HB2 SER A -4 -1.267 1.217 19.580 1.00 0.00 H new ATOM 0 HB3 SER A -4 -2.023 2.733 20.027 1.00 0.00 H new ATOM 0 HG SER A -4 -2.036 2.388 17.733 1.00 0.00 H new ATOM 30 N GLY A -3 -0.466 5.078 20.508 1.00 0.00 N ATOM 31 CA GLY A -3 -0.330 6.510 20.322 1.00 0.00 C ATOM 32 C GLY A -3 1.020 7.028 20.779 1.00 0.00 C ATOM 33 O GLY A -3 1.990 7.006 20.022 1.00 0.00 O ATOM 0 H GLY A -3 -1.233 4.796 21.118 1.00 0.00 H new ATOM 0 HA2 GLY A -3 -0.471 6.752 19.268 1.00 0.00 H new ATOM 0 HA3 GLY A -3 -1.118 7.022 20.874 1.00 0.00 H new ATOM 37 N SER A -2 1.081 7.499 22.021 1.00 0.00 N ATOM 38 CA SER A -2 2.320 8.030 22.576 1.00 0.00 C ATOM 39 C SER A -2 3.479 7.067 22.339 1.00 0.00 C ATOM 40 O SER A -2 3.650 6.092 23.071 1.00 0.00 O ATOM 41 CB SER A -2 2.161 8.295 24.074 1.00 0.00 C ATOM 42 OG SER A -2 1.390 9.461 24.307 1.00 0.00 O ATOM 0 H SER A -2 0.287 7.523 22.661 1.00 0.00 H new ATOM 0 HA SER A -2 2.542 8.969 22.070 1.00 0.00 H new ATOM 0 HB2 SER A -2 1.683 7.438 24.549 1.00 0.00 H new ATOM 0 HB3 SER A -2 3.143 8.407 24.533 1.00 0.00 H new ATOM 0 HG SER A -2 1.302 9.607 25.272 1.00 0.00 H new ATOM 48 N SER A -1 4.273 7.347 21.310 1.00 0.00 N ATOM 49 CA SER A -1 5.414 6.503 20.973 1.00 0.00 C ATOM 50 C SER A -1 6.453 7.288 20.178 1.00 0.00 C ATOM 51 O SER A -1 6.140 8.304 19.558 1.00 0.00 O ATOM 52 CB SER A -1 4.954 5.285 20.170 1.00 0.00 C ATOM 53 OG SER A -1 5.805 4.174 20.397 1.00 0.00 O ATOM 0 H SER A -1 4.147 8.151 20.696 1.00 0.00 H new ATOM 0 HA SER A -1 5.872 6.165 21.902 1.00 0.00 H new ATOM 0 HB2 SER A -1 3.932 5.027 20.448 1.00 0.00 H new ATOM 0 HB3 SER A -1 4.944 5.528 19.108 1.00 0.00 H new ATOM 0 HG SER A -1 5.489 3.408 19.874 1.00 0.00 H new ATOM 59 N GLY A 0 7.693 6.808 20.201 1.00 0.00 N ATOM 60 CA GLY A 0 8.760 7.476 19.480 1.00 0.00 C ATOM 61 C GLY A 0 10.115 7.270 20.128 1.00 0.00 C ATOM 62 O GLY A 0 10.360 7.749 21.235 1.00 0.00 O ATOM 0 H GLY A 0 7.977 5.969 20.706 1.00 0.00 H new ATOM 0 HA2 GLY A 0 8.790 7.104 18.456 1.00 0.00 H new ATOM 0 HA3 GLY A 0 8.545 8.543 19.426 1.00 0.00 H new ATOM 66 N MET A 1 10.997 6.554 19.438 1.00 0.00 N ATOM 67 CA MET A 1 12.334 6.285 19.954 1.00 0.00 C ATOM 68 C MET A 1 13.390 7.019 19.134 1.00 0.00 C ATOM 69 O MET A 1 14.282 7.663 19.687 1.00 0.00 O ATOM 70 CB MET A 1 12.616 4.781 19.942 1.00 0.00 C ATOM 71 CG MET A 1 13.854 4.389 20.731 1.00 0.00 C ATOM 72 SD MET A 1 13.736 4.833 22.475 1.00 0.00 S ATOM 73 CE MET A 1 13.826 3.217 23.242 1.00 0.00 C ATOM 0 H MET A 1 10.810 6.150 18.520 1.00 0.00 H new ATOM 0 HA MET A 1 12.380 6.647 20.981 1.00 0.00 H new ATOM 0 HB2 MET A 1 11.753 4.255 20.350 1.00 0.00 H new ATOM 0 HB3 MET A 1 12.733 4.450 18.910 1.00 0.00 H new ATOM 0 HG2 MET A 1 14.010 3.314 20.644 1.00 0.00 H new ATOM 0 HG3 MET A 1 14.727 4.875 20.295 1.00 0.00 H new ATOM 0 HE1 MET A 1 13.766 3.324 24.325 1.00 0.00 H new ATOM 0 HE2 MET A 1 12.997 2.601 22.892 1.00 0.00 H new ATOM 0 HE3 MET A 1 14.770 2.740 22.977 1.00 0.00 H new ATOM 83 N SER A 2 13.285 6.916 17.813 1.00 0.00 N ATOM 84 CA SER A 2 14.234 7.567 16.918 1.00 0.00 C ATOM 85 C SER A 2 14.029 9.079 16.914 1.00 0.00 C ATOM 86 O SER A 2 14.990 9.847 16.929 1.00 0.00 O ATOM 87 CB SER A 2 14.086 7.018 15.497 1.00 0.00 C ATOM 88 OG SER A 2 14.426 5.643 15.444 1.00 0.00 O ATOM 0 H SER A 2 12.552 6.388 17.339 1.00 0.00 H new ATOM 0 HA SER A 2 15.240 7.355 17.280 1.00 0.00 H new ATOM 0 HB2 SER A 2 13.060 7.156 15.155 1.00 0.00 H new ATOM 0 HB3 SER A 2 14.726 7.581 14.818 1.00 0.00 H new ATOM 0 HG SER A 2 14.322 5.315 14.526 1.00 0.00 H new ATOM 94 N GLY A 3 12.768 9.499 16.895 1.00 0.00 N ATOM 95 CA GLY A 3 12.458 10.917 16.890 1.00 0.00 C ATOM 96 C GLY A 3 12.682 11.554 15.533 1.00 0.00 C ATOM 97 O GLY A 3 13.347 12.584 15.425 1.00 0.00 O ATOM 0 H GLY A 3 11.955 8.883 16.883 1.00 0.00 H new ATOM 0 HA2 GLY A 3 11.419 11.060 17.188 1.00 0.00 H new ATOM 0 HA3 GLY A 3 13.075 11.423 17.632 1.00 0.00 H new ATOM 101 N GLY A 4 12.126 10.940 14.493 1.00 0.00 N ATOM 102 CA GLY A 4 12.282 11.467 13.150 1.00 0.00 C ATOM 103 C GLY A 4 11.251 10.914 12.187 1.00 0.00 C ATOM 104 O GLY A 4 11.536 9.992 11.422 1.00 0.00 O ATOM 0 H GLY A 4 11.570 10.087 14.557 1.00 0.00 H new ATOM 0 HA2 GLY A 4 12.202 12.554 13.178 1.00 0.00 H new ATOM 0 HA3 GLY A 4 13.281 11.230 12.784 1.00 0.00 H new ATOM 108 N LEU A 5 10.047 11.475 12.225 1.00 0.00 N ATOM 109 CA LEU A 5 8.968 11.032 11.349 1.00 0.00 C ATOM 110 C LEU A 5 7.775 11.978 11.433 1.00 0.00 C ATOM 111 O LEU A 5 7.670 12.780 12.360 1.00 0.00 O ATOM 112 CB LEU A 5 8.535 9.612 11.720 1.00 0.00 C ATOM 113 CG LEU A 5 7.841 9.454 13.074 1.00 0.00 C ATOM 114 CD1 LEU A 5 8.534 10.300 14.131 1.00 0.00 C ATOM 115 CD2 LEU A 5 6.370 9.831 12.966 1.00 0.00 C ATOM 0 H LEU A 5 9.794 12.238 12.853 1.00 0.00 H new ATOM 0 HA LEU A 5 9.340 11.036 10.324 1.00 0.00 H new ATOM 0 HB2 LEU A 5 7.863 9.244 10.945 1.00 0.00 H new ATOM 0 HB3 LEU A 5 9.416 8.970 11.709 1.00 0.00 H new ATOM 0 HG LEU A 5 7.907 8.408 13.375 1.00 0.00 H new ATOM 0 HD11 LEU A 5 8.026 10.175 15.087 1.00 0.00 H new ATOM 0 HD12 LEU A 5 9.573 9.983 14.227 1.00 0.00 H new ATOM 0 HD13 LEU A 5 8.500 11.349 13.837 1.00 0.00 H new ATOM 0 HD21 LEU A 5 5.892 9.713 13.938 1.00 0.00 H new ATOM 0 HD22 LEU A 5 6.283 10.868 12.643 1.00 0.00 H new ATOM 0 HD23 LEU A 5 5.881 9.182 12.240 1.00 0.00 H new ATOM 127 N ALA A 6 6.876 11.876 10.459 1.00 0.00 N ATOM 128 CA ALA A 6 5.688 12.720 10.426 1.00 0.00 C ATOM 129 C ALA A 6 4.648 12.165 9.459 1.00 0.00 C ATOM 130 O ALA A 6 4.957 11.776 8.332 1.00 0.00 O ATOM 131 CB ALA A 6 6.062 14.144 10.041 1.00 0.00 C ATOM 0 H ALA A 6 6.948 11.218 9.683 1.00 0.00 H new ATOM 0 HA ALA A 6 5.251 12.728 11.424 1.00 0.00 H new ATOM 0 HB1 ALA A 6 5.165 14.763 10.020 1.00 0.00 H new ATOM 0 HB2 ALA A 6 6.764 14.546 10.772 1.00 0.00 H new ATOM 0 HB3 ALA A 6 6.526 14.144 9.055 1.00 0.00 H new ATOM 137 N PRO A 7 3.384 12.125 9.906 1.00 0.00 N ATOM 138 CA PRO A 7 2.272 11.619 9.096 1.00 0.00 C ATOM 139 C PRO A 7 1.935 12.545 7.932 1.00 0.00 C ATOM 140 O PRO A 7 2.345 13.705 7.910 1.00 0.00 O ATOM 141 CB PRO A 7 1.108 11.560 10.087 1.00 0.00 C ATOM 142 CG PRO A 7 1.443 12.575 11.126 1.00 0.00 C ATOM 143 CD PRO A 7 2.943 12.572 11.238 1.00 0.00 C ATOM 0 HA PRO A 7 2.507 10.659 8.637 1.00 0.00 H new ATOM 0 HB2 PRO A 7 0.161 11.790 9.599 1.00 0.00 H new ATOM 0 HB3 PRO A 7 1.009 10.566 10.522 1.00 0.00 H new ATOM 0 HG2 PRO A 7 1.075 13.561 10.842 1.00 0.00 H new ATOM 0 HG3 PRO A 7 0.980 12.324 12.080 1.00 0.00 H new ATOM 0 HD2 PRO A 7 3.330 13.562 11.478 1.00 0.00 H new ATOM 0 HD3 PRO A 7 3.286 11.897 12.022 1.00 0.00 H new ATOM 151 N SER A 8 1.184 12.024 6.966 1.00 0.00 N ATOM 152 CA SER A 8 0.794 12.804 5.798 1.00 0.00 C ATOM 153 C SER A 8 -0.469 12.232 5.160 1.00 0.00 C ATOM 154 O SER A 8 -0.752 11.040 5.275 1.00 0.00 O ATOM 155 CB SER A 8 1.929 12.829 4.773 1.00 0.00 C ATOM 156 OG SER A 8 2.934 13.754 5.148 1.00 0.00 O ATOM 0 H SER A 8 0.834 11.066 6.970 1.00 0.00 H new ATOM 0 HA SER A 8 0.586 13.823 6.125 1.00 0.00 H new ATOM 0 HB2 SER A 8 2.363 11.833 4.682 1.00 0.00 H new ATOM 0 HB3 SER A 8 1.533 13.095 3.793 1.00 0.00 H new ATOM 0 HG SER A 8 2.825 13.990 6.093 1.00 0.00 H new ATOM 162 N LYS A 9 -1.226 13.093 4.487 1.00 0.00 N ATOM 163 CA LYS A 9 -2.459 12.676 3.830 1.00 0.00 C ATOM 164 C LYS A 9 -2.177 11.624 2.761 1.00 0.00 C ATOM 165 O LYS A 9 -2.859 10.603 2.688 1.00 0.00 O ATOM 166 CB LYS A 9 -3.158 13.883 3.200 1.00 0.00 C ATOM 167 CG LYS A 9 -3.647 14.901 4.216 1.00 0.00 C ATOM 168 CD LYS A 9 -4.022 16.216 3.552 1.00 0.00 C ATOM 169 CE LYS A 9 -5.028 16.994 4.386 1.00 0.00 C ATOM 170 NZ LYS A 9 -4.360 17.876 5.382 1.00 0.00 N ATOM 0 H LYS A 9 -1.007 14.084 4.383 1.00 0.00 H new ATOM 0 HA LYS A 9 -3.113 12.237 4.584 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -2.470 14.372 2.511 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -4.006 13.534 2.610 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -4.511 14.501 4.746 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -2.870 15.077 4.960 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -3.126 16.819 3.405 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -4.440 16.020 2.565 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -5.654 17.598 3.729 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -5.687 16.297 4.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -5.080 18.389 5.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -3.782 17.298 6.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -3.750 18.558 4.888 1.00 0.00 H new ATOM 184 N SER A 10 -1.167 11.881 1.936 1.00 0.00 N ATOM 185 CA SER A 10 -0.797 10.957 0.871 1.00 0.00 C ATOM 186 C SER A 10 -0.734 9.525 1.391 1.00 0.00 C ATOM 187 O SER A 10 -1.182 8.589 0.727 1.00 0.00 O ATOM 188 CB SER A 10 0.553 11.353 0.270 1.00 0.00 C ATOM 189 OG SER A 10 1.566 11.374 1.261 1.00 0.00 O ATOM 0 H SER A 10 -0.591 12.721 1.985 1.00 0.00 H new ATOM 0 HA SER A 10 -1.562 11.010 0.096 1.00 0.00 H new ATOM 0 HB2 SER A 10 0.825 10.650 -0.517 1.00 0.00 H new ATOM 0 HB3 SER A 10 0.474 12.336 -0.194 1.00 0.00 H new ATOM 0 HG SER A 10 2.419 11.628 0.851 1.00 0.00 H new ATOM 195 N THR A 11 -0.174 9.360 2.586 1.00 0.00 N ATOM 196 CA THR A 11 -0.051 8.042 3.197 1.00 0.00 C ATOM 197 C THR A 11 -1.420 7.425 3.454 1.00 0.00 C ATOM 198 O THR A 11 -2.427 8.130 3.522 1.00 0.00 O ATOM 199 CB THR A 11 0.727 8.109 4.524 1.00 0.00 C ATOM 200 OG1 THR A 11 1.907 8.903 4.361 1.00 0.00 O ATOM 201 CG2 THR A 11 1.109 6.715 4.999 1.00 0.00 C ATOM 0 H THR A 11 0.201 10.123 3.150 1.00 0.00 H new ATOM 0 HA THR A 11 0.499 7.417 2.493 1.00 0.00 H new ATOM 0 HB THR A 11 0.082 8.567 5.274 1.00 0.00 H new ATOM 0 HG1 THR A 11 2.395 8.942 5.210 1.00 0.00 H new ATOM 0 HG21 THR A 11 1.658 6.788 5.938 1.00 0.00 H new ATOM 0 HG22 THR A 11 0.207 6.122 5.151 1.00 0.00 H new ATOM 0 HG23 THR A 11 1.737 6.234 4.249 1.00 0.00 H new ATOM 209 N VAL A 12 -1.452 6.103 3.596 1.00 0.00 N ATOM 210 CA VAL A 12 -2.698 5.391 3.848 1.00 0.00 C ATOM 211 C VAL A 12 -2.503 4.290 4.885 1.00 0.00 C ATOM 212 O VAL A 12 -1.829 3.293 4.627 1.00 0.00 O ATOM 213 CB VAL A 12 -3.260 4.769 2.555 1.00 0.00 C ATOM 214 CG1 VAL A 12 -4.595 4.091 2.825 1.00 0.00 C ATOM 215 CG2 VAL A 12 -3.400 5.828 1.472 1.00 0.00 C ATOM 0 H VAL A 12 -0.628 5.504 3.541 1.00 0.00 H new ATOM 0 HA VAL A 12 -3.409 6.124 4.230 1.00 0.00 H new ATOM 0 HB VAL A 12 -2.560 4.012 2.202 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -4.977 3.658 1.901 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -4.460 3.303 3.566 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -5.307 4.826 3.202 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -3.798 5.371 0.566 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -4.079 6.610 1.813 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -2.423 6.263 1.260 1.00 0.00 H new ATOM 225 N TYR A 13 -3.096 4.479 6.058 1.00 0.00 N ATOM 226 CA TYR A 13 -2.986 3.503 7.136 1.00 0.00 C ATOM 227 C TYR A 13 -3.737 2.221 6.789 1.00 0.00 C ATOM 228 O TYR A 13 -4.966 2.176 6.835 1.00 0.00 O ATOM 229 CB TYR A 13 -3.530 4.089 8.440 1.00 0.00 C ATOM 230 CG TYR A 13 -3.111 3.317 9.671 1.00 0.00 C ATOM 231 CD1 TYR A 13 -3.398 1.963 9.798 1.00 0.00 C ATOM 232 CD2 TYR A 13 -2.428 3.942 10.707 1.00 0.00 C ATOM 233 CE1 TYR A 13 -3.018 1.255 10.921 1.00 0.00 C ATOM 234 CE2 TYR A 13 -2.042 3.241 11.834 1.00 0.00 C ATOM 235 CZ TYR A 13 -2.340 1.898 11.936 1.00 0.00 C ATOM 236 OH TYR A 13 -1.959 1.195 13.056 1.00 0.00 O ATOM 0 H TYR A 13 -3.658 5.299 6.287 1.00 0.00 H new ATOM 0 HA TYR A 13 -1.931 3.261 7.266 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -3.190 5.120 8.535 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -4.619 4.115 8.391 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -3.927 1.456 9.005 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -2.195 4.994 10.630 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -3.250 0.204 11.004 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -1.510 3.742 12.630 1.00 0.00 H new ATOM 0 HH TYR A 13 -1.491 1.794 13.674 1.00 0.00 H new ATOM 246 N VAL A 14 -2.988 1.179 6.442 1.00 0.00 N ATOM 247 CA VAL A 14 -3.580 -0.105 6.088 1.00 0.00 C ATOM 248 C VAL A 14 -3.136 -1.199 7.052 1.00 0.00 C ATOM 249 O VAL A 14 -1.948 -1.507 7.153 1.00 0.00 O ATOM 250 CB VAL A 14 -3.208 -0.519 4.652 1.00 0.00 C ATOM 251 CG1 VAL A 14 -4.089 -1.666 4.182 1.00 0.00 C ATOM 252 CG2 VAL A 14 -3.318 0.670 3.710 1.00 0.00 C ATOM 0 H VAL A 14 -1.969 1.199 6.399 1.00 0.00 H new ATOM 0 HA VAL A 14 -4.661 0.017 6.154 1.00 0.00 H new ATOM 0 HB VAL A 14 -2.173 -0.862 4.647 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -3.812 -1.945 3.165 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -3.955 -2.522 4.843 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -5.133 -1.354 4.200 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -3.052 0.360 2.700 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -4.341 1.046 3.716 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -2.640 1.458 4.038 1.00 0.00 H new ATOM 262 N SER A 15 -4.098 -1.784 7.759 1.00 0.00 N ATOM 263 CA SER A 15 -3.805 -2.842 8.719 1.00 0.00 C ATOM 264 C SER A 15 -4.414 -4.167 8.268 1.00 0.00 C ATOM 265 O SER A 15 -4.977 -4.265 7.179 1.00 0.00 O ATOM 266 CB SER A 15 -4.339 -2.467 10.103 1.00 0.00 C ATOM 267 OG SER A 15 -3.579 -3.084 11.127 1.00 0.00 O ATOM 0 H SER A 15 -5.086 -1.543 7.685 1.00 0.00 H new ATOM 0 HA SER A 15 -2.723 -2.959 8.775 1.00 0.00 H new ATOM 0 HB2 SER A 15 -4.310 -1.384 10.226 1.00 0.00 H new ATOM 0 HB3 SER A 15 -5.383 -2.770 10.188 1.00 0.00 H new ATOM 0 HG SER A 15 -3.939 -2.827 12.002 1.00 0.00 H new ATOM 273 N ASN A 16 -4.295 -5.184 9.116 1.00 0.00 N ATOM 274 CA ASN A 16 -4.832 -6.504 8.806 1.00 0.00 C ATOM 275 C ASN A 16 -4.308 -7.003 7.463 1.00 0.00 C ATOM 276 O ASN A 16 -4.954 -7.809 6.792 1.00 0.00 O ATOM 277 CB ASN A 16 -6.362 -6.463 8.785 1.00 0.00 C ATOM 278 CG ASN A 16 -6.966 -6.760 10.144 1.00 0.00 C ATOM 279 OD1 ASN A 16 -6.919 -5.929 11.051 1.00 0.00 O ATOM 280 ND2 ASN A 16 -7.538 -7.949 10.289 1.00 0.00 N ATOM 0 H ASN A 16 -3.832 -5.119 10.022 1.00 0.00 H new ATOM 0 HA ASN A 16 -4.504 -7.194 9.583 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -6.692 -5.479 8.451 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -6.732 -7.187 8.059 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -7.962 -8.206 11.180 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -7.553 -8.606 9.509 1.00 0.00 H new ATOM 287 N LEU A 17 -3.132 -6.520 7.076 1.00 0.00 N ATOM 288 CA LEU A 17 -2.519 -6.917 5.814 1.00 0.00 C ATOM 289 C LEU A 17 -1.745 -8.222 5.971 1.00 0.00 C ATOM 290 O LEU A 17 -1.110 -8.476 6.994 1.00 0.00 O ATOM 291 CB LEU A 17 -1.587 -5.815 5.308 1.00 0.00 C ATOM 292 CG LEU A 17 -2.266 -4.568 4.741 1.00 0.00 C ATOM 293 CD1 LEU A 17 -1.280 -3.414 4.657 1.00 0.00 C ATOM 294 CD2 LEU A 17 -2.863 -4.862 3.372 1.00 0.00 C ATOM 0 H LEU A 17 -2.584 -5.853 7.619 1.00 0.00 H new ATOM 0 HA LEU A 17 -3.315 -7.074 5.086 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -0.939 -5.509 6.130 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.944 -6.237 4.535 1.00 0.00 H new ATOM 0 HG LEU A 17 -3.074 -4.280 5.414 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.782 -2.536 4.251 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.900 -3.187 5.653 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.450 -3.691 4.006 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -3.342 -3.963 2.983 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -2.073 -5.175 2.690 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -3.602 -5.658 3.461 1.00 0.00 H new ATOM 306 N PRO A 18 -1.796 -9.069 4.932 1.00 0.00 N ATOM 307 CA PRO A 18 -1.103 -10.361 4.930 1.00 0.00 C ATOM 308 C PRO A 18 0.412 -10.206 4.855 1.00 0.00 C ATOM 309 O PRO A 18 0.996 -10.232 3.771 1.00 0.00 O ATOM 310 CB PRO A 18 -1.634 -11.046 3.668 1.00 0.00 C ATOM 311 CG PRO A 18 -2.045 -9.927 2.774 1.00 0.00 C ATOM 312 CD PRO A 18 -2.534 -8.831 3.681 1.00 0.00 C ATOM 0 HA PRO A 18 -1.286 -10.923 5.846 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -0.868 -11.665 3.201 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -2.476 -11.700 3.897 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -1.207 -9.586 2.166 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -2.830 -10.244 2.087 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -2.321 -7.844 3.270 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -3.612 -8.887 3.833 1.00 0.00 H new ATOM 320 N PHE A 19 1.044 -10.044 6.013 1.00 0.00 N ATOM 321 CA PHE A 19 2.492 -9.884 6.078 1.00 0.00 C ATOM 322 C PHE A 19 3.192 -10.904 5.186 1.00 0.00 C ATOM 323 O PHE A 19 4.304 -10.671 4.711 1.00 0.00 O ATOM 324 CB PHE A 19 2.978 -10.031 7.521 1.00 0.00 C ATOM 325 CG PHE A 19 2.283 -11.126 8.279 1.00 0.00 C ATOM 326 CD1 PHE A 19 2.699 -12.442 8.159 1.00 0.00 C ATOM 327 CD2 PHE A 19 1.212 -10.838 9.110 1.00 0.00 C ATOM 328 CE1 PHE A 19 2.062 -13.451 8.856 1.00 0.00 C ATOM 329 CE2 PHE A 19 0.571 -11.844 9.809 1.00 0.00 C ATOM 330 CZ PHE A 19 0.996 -13.152 9.681 1.00 0.00 C ATOM 0 H PHE A 19 0.576 -10.020 6.919 1.00 0.00 H new ATOM 0 HA PHE A 19 2.739 -8.885 5.719 1.00 0.00 H new ATOM 0 HB2 PHE A 19 4.050 -10.227 7.517 1.00 0.00 H new ATOM 0 HB3 PHE A 19 2.829 -9.087 8.044 1.00 0.00 H new ATOM 0 HD1 PHE A 19 3.531 -12.682 7.513 1.00 0.00 H new ATOM 0 HD2 PHE A 19 0.875 -9.817 9.213 1.00 0.00 H new ATOM 0 HE1 PHE A 19 2.398 -14.473 8.755 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -0.262 -11.607 10.455 1.00 0.00 H new ATOM 0 HZ PHE A 19 0.495 -13.939 10.225 1.00 0.00 H new ATOM 340 N SER A 20 2.534 -12.037 4.963 1.00 0.00 N ATOM 341 CA SER A 20 3.094 -13.096 4.132 1.00 0.00 C ATOM 342 C SER A 20 3.673 -12.525 2.841 1.00 0.00 C ATOM 343 O SER A 20 4.589 -13.099 2.250 1.00 0.00 O ATOM 344 CB SER A 20 2.023 -14.139 3.806 1.00 0.00 C ATOM 345 OG SER A 20 1.647 -14.862 4.965 1.00 0.00 O ATOM 0 H SER A 20 1.612 -12.245 5.346 1.00 0.00 H new ATOM 0 HA SER A 20 3.899 -13.574 4.691 1.00 0.00 H new ATOM 0 HB2 SER A 20 1.148 -13.646 3.381 1.00 0.00 H new ATOM 0 HB3 SER A 20 2.400 -14.828 3.050 1.00 0.00 H new ATOM 0 HG SER A 20 0.960 -15.521 4.731 1.00 0.00 H new ATOM 351 N LEU A 21 3.131 -11.392 2.408 1.00 0.00 N ATOM 352 CA LEU A 21 3.592 -10.742 1.186 1.00 0.00 C ATOM 353 C LEU A 21 4.858 -9.930 1.446 1.00 0.00 C ATOM 354 O LEU A 21 5.393 -9.932 2.555 1.00 0.00 O ATOM 355 CB LEU A 21 2.497 -9.834 0.623 1.00 0.00 C ATOM 356 CG LEU A 21 1.107 -10.459 0.496 1.00 0.00 C ATOM 357 CD1 LEU A 21 0.150 -9.496 -0.189 1.00 0.00 C ATOM 358 CD2 LEU A 21 1.181 -11.774 -0.266 1.00 0.00 C ATOM 0 H LEU A 21 2.372 -10.905 2.885 1.00 0.00 H new ATOM 0 HA LEU A 21 3.823 -11.518 0.456 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.420 -8.953 1.260 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.810 -9.489 -0.362 1.00 0.00 H new ATOM 0 HG LEU A 21 0.728 -10.664 1.497 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.834 -9.958 -0.271 1.00 0.00 H new ATOM 0 HD12 LEU A 21 0.074 -8.580 0.397 1.00 0.00 H new ATOM 0 HD13 LEU A 21 0.523 -9.259 -1.185 1.00 0.00 H new ATOM 0 HD21 LEU A 21 0.183 -12.204 -0.347 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.580 -11.594 -1.264 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.833 -12.467 0.266 1.00 0.00 H new ATOM 370 N THR A 22 5.330 -9.235 0.416 1.00 0.00 N ATOM 371 CA THR A 22 6.532 -8.417 0.533 1.00 0.00 C ATOM 372 C THR A 22 6.290 -7.007 0.007 1.00 0.00 C ATOM 373 O THR A 22 5.394 -6.782 -0.805 1.00 0.00 O ATOM 374 CB THR A 22 7.713 -9.043 -0.232 1.00 0.00 C ATOM 375 OG1 THR A 22 8.932 -8.380 0.122 1.00 0.00 O ATOM 376 CG2 THR A 22 7.496 -8.948 -1.735 1.00 0.00 C ATOM 0 H THR A 22 4.899 -9.222 -0.508 1.00 0.00 H new ATOM 0 HA THR A 22 6.780 -8.368 1.593 1.00 0.00 H new ATOM 0 HB THR A 22 7.779 -10.096 0.043 1.00 0.00 H new ATOM 0 HG1 THR A 22 8.988 -7.524 -0.352 1.00 0.00 H new ATOM 0 HG21 THR A 22 8.343 -9.397 -2.254 1.00 0.00 H new ATOM 0 HG22 THR A 22 6.583 -9.478 -2.005 1.00 0.00 H new ATOM 0 HG23 THR A 22 7.406 -7.901 -2.024 1.00 0.00 H new ATOM 384 N ASN A 23 7.096 -6.060 0.476 1.00 0.00 N ATOM 385 CA ASN A 23 6.970 -4.670 0.052 1.00 0.00 C ATOM 386 C ASN A 23 6.560 -4.584 -1.415 1.00 0.00 C ATOM 387 O ASN A 23 5.654 -3.833 -1.774 1.00 0.00 O ATOM 388 CB ASN A 23 8.290 -3.927 0.269 1.00 0.00 C ATOM 389 CG ASN A 23 9.312 -4.239 -0.807 1.00 0.00 C ATOM 390 OD1 ASN A 23 9.777 -5.483 -0.838 1.00 0.00 O flip ATOM 391 ND2 ASN A 23 9.680 -3.372 -1.600 1.00 0.00 N flip ATOM 0 H ASN A 23 7.843 -6.230 1.149 1.00 0.00 H new ATOM 0 HA ASN A 23 6.193 -4.201 0.656 1.00 0.00 H new ATOM 0 HB2 ASN A 23 8.101 -2.854 0.287 1.00 0.00 H new ATOM 0 HB3 ASN A 23 8.699 -4.195 1.243 1.00 0.00 H new ATOM 0 HD21 ASN A 23 9.296 -2.429 -1.539 1.00 0.00 H new ATOM 0 HD22 ASN A 23 10.369 -3.597 -2.318 1.00 0.00 H new ATOM 398 N ASN A 24 7.233 -5.360 -2.259 1.00 0.00 N ATOM 399 CA ASN A 24 6.939 -5.371 -3.687 1.00 0.00 C ATOM 400 C ASN A 24 5.464 -5.671 -3.936 1.00 0.00 C ATOM 401 O ASN A 24 4.786 -4.944 -4.663 1.00 0.00 O ATOM 402 CB ASN A 24 7.809 -6.409 -4.400 1.00 0.00 C ATOM 403 CG ASN A 24 8.114 -6.021 -5.834 1.00 0.00 C ATOM 404 OD1 ASN A 24 7.338 -6.310 -6.745 1.00 0.00 O ATOM 405 ND2 ASN A 24 9.248 -5.362 -6.040 1.00 0.00 N ATOM 0 H ASN A 24 7.985 -5.989 -1.978 1.00 0.00 H new ATOM 0 HA ASN A 24 7.163 -4.382 -4.087 1.00 0.00 H new ATOM 0 HB2 ASN A 24 8.744 -6.533 -3.853 1.00 0.00 H new ATOM 0 HB3 ASN A 24 7.302 -7.374 -4.387 1.00 0.00 H new ATOM 0 HD21 ASN A 24 9.506 -5.074 -6.984 1.00 0.00 H new ATOM 0 HD22 ASN A 24 9.861 -5.144 -5.254 1.00 0.00 H new ATOM 412 N ASP A 25 4.973 -6.746 -3.329 1.00 0.00 N ATOM 413 CA ASP A 25 3.578 -7.141 -3.483 1.00 0.00 C ATOM 414 C ASP A 25 2.647 -5.962 -3.222 1.00 0.00 C ATOM 415 O ASP A 25 1.923 -5.519 -4.115 1.00 0.00 O ATOM 416 CB ASP A 25 3.244 -8.291 -2.531 1.00 0.00 C ATOM 417 CG ASP A 25 3.504 -9.650 -3.151 1.00 0.00 C ATOM 418 OD1 ASP A 25 2.821 -9.992 -4.138 1.00 0.00 O ATOM 419 OD2 ASP A 25 4.392 -10.371 -2.648 1.00 0.00 O ATOM 0 H ASP A 25 5.521 -7.359 -2.726 1.00 0.00 H new ATOM 0 HA ASP A 25 3.432 -7.475 -4.510 1.00 0.00 H new ATOM 0 HB2 ASP A 25 3.837 -8.190 -1.622 1.00 0.00 H new ATOM 0 HB3 ASP A 25 2.196 -8.223 -2.237 1.00 0.00 H new ATOM 424 N LEU A 26 2.669 -5.457 -1.993 1.00 0.00 N ATOM 425 CA LEU A 26 1.826 -4.329 -1.614 1.00 0.00 C ATOM 426 C LEU A 26 1.913 -3.212 -2.649 1.00 0.00 C ATOM 427 O LEU A 26 0.898 -2.765 -3.182 1.00 0.00 O ATOM 428 CB LEU A 26 2.237 -3.799 -0.239 1.00 0.00 C ATOM 429 CG LEU A 26 2.006 -4.744 0.941 1.00 0.00 C ATOM 430 CD1 LEU A 26 2.514 -4.120 2.231 1.00 0.00 C ATOM 431 CD2 LEU A 26 0.531 -5.097 1.060 1.00 0.00 C ATOM 0 H LEU A 26 3.262 -5.811 -1.242 1.00 0.00 H new ATOM 0 HA LEU A 26 0.794 -4.678 -1.569 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.296 -3.543 -0.272 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.692 -2.874 -0.050 1.00 0.00 H new ATOM 0 HG LEU A 26 2.565 -5.663 0.762 1.00 0.00 H new ATOM 0 HD11 LEU A 26 2.341 -4.806 3.060 1.00 0.00 H new ATOM 0 HD12 LEU A 26 3.582 -3.919 2.142 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.984 -3.186 2.417 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.385 -5.770 1.905 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.049 -4.188 1.216 1.00 0.00 H new ATOM 0 HD23 LEU A 26 0.199 -5.587 0.144 1.00 0.00 H new ATOM 443 N TYR A 27 3.133 -2.766 -2.930 1.00 0.00 N ATOM 444 CA TYR A 27 3.353 -1.701 -3.901 1.00 0.00 C ATOM 445 C TYR A 27 2.364 -1.806 -5.058 1.00 0.00 C ATOM 446 O TYR A 27 1.678 -0.840 -5.392 1.00 0.00 O ATOM 447 CB TYR A 27 4.786 -1.756 -4.433 1.00 0.00 C ATOM 448 CG TYR A 27 5.096 -0.681 -5.450 1.00 0.00 C ATOM 449 CD1 TYR A 27 4.522 -0.709 -6.716 1.00 0.00 C ATOM 450 CD2 TYR A 27 5.962 0.361 -5.147 1.00 0.00 C ATOM 451 CE1 TYR A 27 4.803 0.271 -7.649 1.00 0.00 C ATOM 452 CE2 TYR A 27 6.248 1.346 -6.073 1.00 0.00 C ATOM 453 CZ TYR A 27 5.665 1.296 -7.322 1.00 0.00 C ATOM 454 OH TYR A 27 5.948 2.274 -8.248 1.00 0.00 O ATOM 0 H TYR A 27 3.984 -3.126 -2.499 1.00 0.00 H new ATOM 0 HA TYR A 27 3.196 -0.747 -3.398 1.00 0.00 H new ATOM 0 HB2 TYR A 27 5.479 -1.664 -3.597 1.00 0.00 H new ATOM 0 HB3 TYR A 27 4.960 -2.733 -4.885 1.00 0.00 H new ATOM 0 HD1 TYR A 27 3.845 -1.510 -6.975 1.00 0.00 H new ATOM 0 HD2 TYR A 27 6.420 0.402 -4.170 1.00 0.00 H new ATOM 0 HE1 TYR A 27 4.350 0.234 -8.629 1.00 0.00 H new ATOM 0 HE2 TYR A 27 6.924 2.150 -5.820 1.00 0.00 H new ATOM 0 HH TYR A 27 5.740 3.153 -7.869 1.00 0.00 H new ATOM 464 N ARG A 28 2.297 -2.986 -5.665 1.00 0.00 N ATOM 465 CA ARG A 28 1.393 -3.219 -6.785 1.00 0.00 C ATOM 466 C ARG A 28 -0.051 -3.327 -6.305 1.00 0.00 C ATOM 467 O ARG A 28 -0.945 -2.674 -6.844 1.00 0.00 O ATOM 468 CB ARG A 28 1.790 -4.493 -7.532 1.00 0.00 C ATOM 469 CG ARG A 28 3.052 -4.343 -8.366 1.00 0.00 C ATOM 470 CD ARG A 28 3.713 -5.688 -8.624 1.00 0.00 C ATOM 471 NE ARG A 28 3.110 -6.386 -9.756 1.00 0.00 N ATOM 472 CZ ARG A 28 3.256 -6.001 -11.019 1.00 0.00 C ATOM 473 NH1 ARG A 28 3.982 -4.931 -11.310 1.00 0.00 N ATOM 474 NH2 ARG A 28 2.675 -6.689 -11.994 1.00 0.00 N ATOM 0 H ARG A 28 2.858 -3.796 -5.400 1.00 0.00 H new ATOM 0 HA ARG A 28 1.469 -2.369 -7.464 1.00 0.00 H new ATOM 0 HB2 ARG A 28 1.935 -5.297 -6.810 1.00 0.00 H new ATOM 0 HB3 ARG A 28 0.969 -4.793 -8.182 1.00 0.00 H new ATOM 0 HG2 ARG A 28 2.807 -3.869 -9.316 1.00 0.00 H new ATOM 0 HG3 ARG A 28 3.753 -3.685 -7.852 1.00 0.00 H new ATOM 0 HD2 ARG A 28 4.776 -5.539 -8.814 1.00 0.00 H new ATOM 0 HD3 ARG A 28 3.633 -6.308 -7.731 1.00 0.00 H new ATOM 0 HE ARG A 28 2.546 -7.214 -9.567 1.00 0.00 H new ATOM 0 HH11 ARG A 28 4.431 -4.401 -10.563 1.00 0.00 H new ATOM 0 HH12 ARG A 28 4.092 -4.638 -12.281 1.00 0.00 H new ATOM 0 HH21 ARG A 28 2.116 -7.513 -11.774 1.00 0.00 H new ATOM 0 HH22 ARG A 28 2.787 -6.393 -12.964 1.00 0.00 H new ATOM 488 N ILE A 29 -0.271 -4.155 -5.289 1.00 0.00 N ATOM 489 CA ILE A 29 -1.606 -4.348 -4.737 1.00 0.00 C ATOM 490 C ILE A 29 -2.327 -3.015 -4.565 1.00 0.00 C ATOM 491 O ILE A 29 -3.516 -2.897 -4.864 1.00 0.00 O ATOM 492 CB ILE A 29 -1.554 -5.070 -3.377 1.00 0.00 C ATOM 493 CG1 ILE A 29 -1.021 -6.494 -3.552 1.00 0.00 C ATOM 494 CG2 ILE A 29 -2.932 -5.089 -2.735 1.00 0.00 C ATOM 495 CD1 ILE A 29 -0.688 -7.178 -2.245 1.00 0.00 C ATOM 0 H ILE A 29 0.458 -4.703 -4.832 1.00 0.00 H new ATOM 0 HA ILE A 29 -2.155 -4.967 -5.447 1.00 0.00 H new ATOM 0 HB ILE A 29 -0.876 -4.527 -2.719 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -1.763 -7.088 -4.085 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -0.128 -6.465 -4.176 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -2.879 -5.602 -1.775 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -3.276 -4.066 -2.581 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -3.631 -5.612 -3.388 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -0.316 -8.183 -2.445 1.00 0.00 H new ATOM 0 HD12 ILE A 29 0.077 -6.606 -1.719 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -1.584 -7.239 -1.628 1.00 0.00 H new ATOM 507 N PHE A 30 -1.600 -2.013 -4.082 1.00 0.00 N ATOM 508 CA PHE A 30 -2.170 -0.688 -3.871 1.00 0.00 C ATOM 509 C PHE A 30 -2.069 0.156 -5.138 1.00 0.00 C ATOM 510 O PHE A 30 -2.791 1.140 -5.301 1.00 0.00 O ATOM 511 CB PHE A 30 -1.457 0.019 -2.716 1.00 0.00 C ATOM 512 CG PHE A 30 -1.682 -0.635 -1.383 1.00 0.00 C ATOM 513 CD1 PHE A 30 -2.874 -0.454 -0.700 1.00 0.00 C ATOM 514 CD2 PHE A 30 -0.701 -1.430 -0.812 1.00 0.00 C ATOM 515 CE1 PHE A 30 -3.083 -1.054 0.528 1.00 0.00 C ATOM 516 CE2 PHE A 30 -0.904 -2.033 0.415 1.00 0.00 C ATOM 517 CZ PHE A 30 -2.097 -1.845 1.085 1.00 0.00 C ATOM 0 H PHE A 30 -0.615 -2.094 -3.829 1.00 0.00 H new ATOM 0 HA PHE A 30 -3.224 -0.809 -3.619 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -0.387 0.046 -2.922 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -1.799 1.053 -2.667 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -3.648 0.163 -1.132 1.00 0.00 H new ATOM 0 HD2 PHE A 30 0.234 -1.580 -1.332 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -4.016 -0.904 1.051 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -0.131 -2.650 0.849 1.00 0.00 H new ATOM 0 HZ PHE A 30 -2.259 -2.316 2.043 1.00 0.00 H new ATOM 527 N SER A 31 -1.168 -0.236 -6.033 1.00 0.00 N ATOM 528 CA SER A 31 -0.969 0.486 -7.284 1.00 0.00 C ATOM 529 C SER A 31 -2.230 0.443 -8.142 1.00 0.00 C ATOM 530 O SER A 31 -2.459 1.321 -8.975 1.00 0.00 O ATOM 531 CB SER A 31 0.209 -0.109 -8.059 1.00 0.00 C ATOM 532 OG SER A 31 0.543 0.696 -9.176 1.00 0.00 O ATOM 0 H SER A 31 -0.564 -1.050 -5.915 1.00 0.00 H new ATOM 0 HA SER A 31 -0.749 1.526 -7.044 1.00 0.00 H new ATOM 0 HB2 SER A 31 1.073 -0.199 -7.401 1.00 0.00 H new ATOM 0 HB3 SER A 31 -0.043 -1.115 -8.394 1.00 0.00 H new ATOM 0 HG SER A 31 1.299 0.295 -9.654 1.00 0.00 H new ATOM 538 N LYS A 32 -3.046 -0.585 -7.933 1.00 0.00 N ATOM 539 CA LYS A 32 -4.285 -0.744 -8.685 1.00 0.00 C ATOM 540 C LYS A 32 -5.187 0.474 -8.511 1.00 0.00 C ATOM 541 O LYS A 32 -6.044 0.749 -9.352 1.00 0.00 O ATOM 542 CB LYS A 32 -5.022 -2.006 -8.233 1.00 0.00 C ATOM 543 CG LYS A 32 -5.848 -1.810 -6.973 1.00 0.00 C ATOM 544 CD LYS A 32 -6.772 -2.990 -6.722 1.00 0.00 C ATOM 545 CE LYS A 32 -6.061 -4.103 -5.968 1.00 0.00 C ATOM 546 NZ LYS A 32 -5.959 -3.809 -4.512 1.00 0.00 N ATOM 0 H LYS A 32 -2.871 -1.321 -7.249 1.00 0.00 H new ATOM 0 HA LYS A 32 -4.030 -0.838 -9.741 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -5.676 -2.342 -9.037 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -4.295 -2.799 -8.061 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -5.184 -1.679 -6.119 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -6.438 -0.898 -7.062 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -7.640 -2.659 -6.152 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -7.143 -3.372 -7.673 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -6.598 -5.040 -6.112 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -5.062 -4.241 -6.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -4.958 -3.711 -4.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -6.461 -2.923 -4.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -6.387 -4.587 -3.970 1.00 0.00 H new ATOM 560 N TYR A 33 -4.988 1.201 -7.418 1.00 0.00 N ATOM 561 CA TYR A 33 -5.784 2.389 -7.134 1.00 0.00 C ATOM 562 C TYR A 33 -5.023 3.657 -7.508 1.00 0.00 C ATOM 563 O TYR A 33 -5.527 4.502 -8.246 1.00 0.00 O ATOM 564 CB TYR A 33 -6.168 2.429 -5.654 1.00 0.00 C ATOM 565 CG TYR A 33 -6.886 1.185 -5.181 1.00 0.00 C ATOM 566 CD1 TYR A 33 -8.147 0.860 -5.666 1.00 0.00 C ATOM 567 CD2 TYR A 33 -6.303 0.335 -4.249 1.00 0.00 C ATOM 568 CE1 TYR A 33 -8.807 -0.275 -5.235 1.00 0.00 C ATOM 569 CE2 TYR A 33 -6.955 -0.803 -3.814 1.00 0.00 C ATOM 570 CZ TYR A 33 -8.207 -1.103 -4.310 1.00 0.00 C ATOM 571 OH TYR A 33 -8.860 -2.235 -3.880 1.00 0.00 O ATOM 0 H TYR A 33 -4.282 0.989 -6.713 1.00 0.00 H new ATOM 0 HA TYR A 33 -6.691 2.340 -7.737 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -5.267 2.567 -5.057 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -6.804 3.296 -5.476 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -8.619 1.505 -6.392 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -5.324 0.568 -3.858 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -9.788 -0.512 -5.621 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -6.487 -1.454 -3.090 1.00 0.00 H new ATOM 0 HH TYR A 33 -9.441 -2.569 -4.595 1.00 0.00 H new ATOM 581 N GLY A 34 -3.804 3.782 -6.992 1.00 0.00 N ATOM 582 CA GLY A 34 -2.991 4.948 -7.283 1.00 0.00 C ATOM 583 C GLY A 34 -1.508 4.634 -7.291 1.00 0.00 C ATOM 584 O GLY A 34 -1.050 3.745 -6.574 1.00 0.00 O ATOM 0 H GLY A 34 -3.365 3.096 -6.378 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -3.278 5.354 -8.253 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -3.191 5.721 -6.541 1.00 0.00 H new ATOM 588 N LYS A 35 -0.755 5.365 -8.106 1.00 0.00 N ATOM 589 CA LYS A 35 0.685 5.161 -8.207 1.00 0.00 C ATOM 590 C LYS A 35 1.344 5.245 -6.834 1.00 0.00 C ATOM 591 O LYS A 35 1.069 6.160 -6.057 1.00 0.00 O ATOM 592 CB LYS A 35 1.304 6.199 -9.146 1.00 0.00 C ATOM 593 CG LYS A 35 2.730 5.875 -9.556 1.00 0.00 C ATOM 594 CD LYS A 35 2.768 5.006 -10.802 1.00 0.00 C ATOM 595 CE LYS A 35 4.143 4.389 -11.009 1.00 0.00 C ATOM 596 NZ LYS A 35 4.266 3.747 -12.347 1.00 0.00 N ATOM 0 H LYS A 35 -1.119 6.105 -8.707 1.00 0.00 H new ATOM 0 HA LYS A 35 0.858 4.164 -8.613 1.00 0.00 H new ATOM 0 HB2 LYS A 35 0.687 6.280 -10.041 1.00 0.00 H new ATOM 0 HB3 LYS A 35 1.288 7.173 -8.658 1.00 0.00 H new ATOM 0 HG2 LYS A 35 3.276 6.800 -9.740 1.00 0.00 H new ATOM 0 HG3 LYS A 35 3.237 5.363 -8.738 1.00 0.00 H new ATOM 0 HD2 LYS A 35 2.022 4.216 -10.719 1.00 0.00 H new ATOM 0 HD3 LYS A 35 2.502 5.605 -11.673 1.00 0.00 H new ATOM 0 HE2 LYS A 35 4.907 5.160 -10.904 1.00 0.00 H new ATOM 0 HE3 LYS A 35 4.329 3.648 -10.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 5.217 3.338 -12.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 3.554 2.994 -12.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 4.113 4.459 -13.089 1.00 0.00 H new ATOM 610 N VAL A 36 2.216 4.286 -6.541 1.00 0.00 N ATOM 611 CA VAL A 36 2.917 4.254 -5.263 1.00 0.00 C ATOM 612 C VAL A 36 4.346 4.765 -5.405 1.00 0.00 C ATOM 613 O VAL A 36 5.026 4.472 -6.389 1.00 0.00 O ATOM 614 CB VAL A 36 2.949 2.830 -4.676 1.00 0.00 C ATOM 615 CG1 VAL A 36 3.812 2.787 -3.425 1.00 0.00 C ATOM 616 CG2 VAL A 36 1.538 2.345 -4.378 1.00 0.00 C ATOM 0 H VAL A 36 2.454 3.520 -7.172 1.00 0.00 H new ATOM 0 HA VAL A 36 2.367 4.907 -4.585 1.00 0.00 H new ATOM 0 HB VAL A 36 3.390 2.161 -5.415 1.00 0.00 H new ATOM 0 HG11 VAL A 36 3.822 1.773 -3.025 1.00 0.00 H new ATOM 0 HG12 VAL A 36 4.829 3.089 -3.674 1.00 0.00 H new ATOM 0 HG13 VAL A 36 3.404 3.468 -2.678 1.00 0.00 H new ATOM 0 HG21 VAL A 36 1.579 1.338 -3.964 1.00 0.00 H new ATOM 0 HG22 VAL A 36 1.068 3.014 -3.658 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.955 2.335 -5.299 1.00 0.00 H new ATOM 626 N VAL A 37 4.796 5.531 -4.417 1.00 0.00 N ATOM 627 CA VAL A 37 6.145 6.083 -4.431 1.00 0.00 C ATOM 628 C VAL A 37 7.034 5.388 -3.405 1.00 0.00 C ATOM 629 O VAL A 37 8.221 5.167 -3.644 1.00 0.00 O ATOM 630 CB VAL A 37 6.136 7.596 -4.144 1.00 0.00 C ATOM 631 CG1 VAL A 37 7.512 8.195 -4.393 1.00 0.00 C ATOM 632 CG2 VAL A 37 5.082 8.292 -4.992 1.00 0.00 C ATOM 0 H VAL A 37 4.246 5.784 -3.596 1.00 0.00 H new ATOM 0 HA VAL A 37 6.546 5.913 -5.430 1.00 0.00 H new ATOM 0 HB VAL A 37 5.884 7.748 -3.094 1.00 0.00 H new ATOM 0 HG11 VAL A 37 7.486 9.265 -4.185 1.00 0.00 H new ATOM 0 HG12 VAL A 37 8.241 7.716 -3.740 1.00 0.00 H new ATOM 0 HG13 VAL A 37 7.796 8.034 -5.433 1.00 0.00 H new ATOM 0 HG21 VAL A 37 5.089 9.360 -4.777 1.00 0.00 H new ATOM 0 HG22 VAL A 37 5.301 8.133 -6.048 1.00 0.00 H new ATOM 0 HG23 VAL A 37 4.099 7.882 -4.760 1.00 0.00 H new ATOM 642 N LYS A 38 6.451 5.044 -2.262 1.00 0.00 N ATOM 643 CA LYS A 38 7.188 4.372 -1.199 1.00 0.00 C ATOM 644 C LYS A 38 6.265 3.476 -0.379 1.00 0.00 C ATOM 645 O LYS A 38 5.064 3.728 -0.282 1.00 0.00 O ATOM 646 CB LYS A 38 7.860 5.401 -0.286 1.00 0.00 C ATOM 647 CG LYS A 38 9.187 5.911 -0.819 1.00 0.00 C ATOM 648 CD LYS A 38 9.641 7.159 -0.081 1.00 0.00 C ATOM 649 CE LYS A 38 11.001 7.633 -0.571 1.00 0.00 C ATOM 650 NZ LYS A 38 11.220 9.079 -0.290 1.00 0.00 N ATOM 0 H LYS A 38 5.469 5.220 -2.048 1.00 0.00 H new ATOM 0 HA LYS A 38 7.954 3.749 -1.661 1.00 0.00 H new ATOM 0 HB2 LYS A 38 7.185 6.246 -0.146 1.00 0.00 H new ATOM 0 HB3 LYS A 38 8.020 4.954 0.695 1.00 0.00 H new ATOM 0 HG2 LYS A 38 9.944 5.133 -0.719 1.00 0.00 H new ATOM 0 HG3 LYS A 38 9.093 6.130 -1.883 1.00 0.00 H new ATOM 0 HD2 LYS A 38 8.906 7.952 -0.220 1.00 0.00 H new ATOM 0 HD3 LYS A 38 9.690 6.953 0.988 1.00 0.00 H new ATOM 0 HE2 LYS A 38 11.784 7.047 -0.090 1.00 0.00 H new ATOM 0 HE3 LYS A 38 11.083 7.455 -1.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 12.158 9.362 -0.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 10.488 9.641 -0.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 11.168 9.245 0.735 1.00 0.00 H new ATOM 664 N VAL A 39 6.833 2.429 0.210 1.00 0.00 N ATOM 665 CA VAL A 39 6.062 1.497 1.024 1.00 0.00 C ATOM 666 C VAL A 39 6.596 1.440 2.451 1.00 0.00 C ATOM 667 O VAL A 39 7.753 1.085 2.679 1.00 0.00 O ATOM 668 CB VAL A 39 6.081 0.079 0.423 1.00 0.00 C ATOM 669 CG1 VAL A 39 5.333 -0.893 1.324 1.00 0.00 C ATOM 670 CG2 VAL A 39 5.486 0.086 -0.977 1.00 0.00 C ATOM 0 H VAL A 39 7.825 2.205 0.139 1.00 0.00 H new ATOM 0 HA VAL A 39 5.036 1.864 1.039 1.00 0.00 H new ATOM 0 HB VAL A 39 7.117 -0.253 0.351 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.357 -1.890 0.883 1.00 0.00 H new ATOM 0 HG12 VAL A 39 5.808 -0.919 2.305 1.00 0.00 H new ATOM 0 HG13 VAL A 39 4.298 -0.568 1.430 1.00 0.00 H new ATOM 0 HG21 VAL A 39 5.507 -0.924 -1.386 1.00 0.00 H new ATOM 0 HG22 VAL A 39 4.455 0.438 -0.933 1.00 0.00 H new ATOM 0 HG23 VAL A 39 6.068 0.749 -1.617 1.00 0.00 H new ATOM 680 N THR A 40 5.746 1.793 3.410 1.00 0.00 N ATOM 681 CA THR A 40 6.132 1.783 4.815 1.00 0.00 C ATOM 682 C THR A 40 5.415 0.673 5.575 1.00 0.00 C ATOM 683 O THR A 40 4.231 0.419 5.350 1.00 0.00 O ATOM 684 CB THR A 40 5.826 3.133 5.491 1.00 0.00 C ATOM 685 OG1 THR A 40 6.516 4.189 4.814 1.00 0.00 O ATOM 686 CG2 THR A 40 6.236 3.110 6.956 1.00 0.00 C ATOM 0 H THR A 40 4.785 2.090 3.239 1.00 0.00 H new ATOM 0 HA THR A 40 7.207 1.605 4.846 1.00 0.00 H new ATOM 0 HB THR A 40 4.752 3.307 5.433 1.00 0.00 H new ATOM 0 HG1 THR A 40 6.314 5.043 5.249 1.00 0.00 H new ATOM 0 HG21 THR A 40 6.010 4.074 7.412 1.00 0.00 H new ATOM 0 HG22 THR A 40 5.686 2.325 7.475 1.00 0.00 H new ATOM 0 HG23 THR A 40 7.306 2.915 7.031 1.00 0.00 H new ATOM 694 N ILE A 41 6.138 0.016 6.474 1.00 0.00 N ATOM 695 CA ILE A 41 5.569 -1.067 7.268 1.00 0.00 C ATOM 696 C ILE A 41 5.919 -0.908 8.744 1.00 0.00 C ATOM 697 O ILE A 41 7.044 -0.551 9.091 1.00 0.00 O ATOM 698 CB ILE A 41 6.062 -2.442 6.780 1.00 0.00 C ATOM 699 CG1 ILE A 41 5.529 -2.730 5.375 1.00 0.00 C ATOM 700 CG2 ILE A 41 5.632 -3.533 7.750 1.00 0.00 C ATOM 701 CD1 ILE A 41 6.135 -3.961 4.739 1.00 0.00 C ATOM 0 H ILE A 41 7.119 0.214 6.672 1.00 0.00 H new ATOM 0 HA ILE A 41 4.487 -1.014 7.145 1.00 0.00 H new ATOM 0 HB ILE A 41 7.151 -2.428 6.739 1.00 0.00 H new ATOM 0 HG12 ILE A 41 4.447 -2.852 5.424 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.725 -1.868 4.737 1.00 0.00 H new ATOM 0 HG21 ILE A 41 5.988 -4.499 7.392 1.00 0.00 H new ATOM 0 HG22 ILE A 41 6.056 -3.333 8.734 1.00 0.00 H new ATOM 0 HG23 ILE A 41 4.544 -3.550 7.820 1.00 0.00 H new ATOM 0 HD11 ILE A 41 5.711 -4.103 3.745 1.00 0.00 H new ATOM 0 HD12 ILE A 41 7.215 -3.835 4.658 1.00 0.00 H new ATOM 0 HD13 ILE A 41 5.917 -4.833 5.355 1.00 0.00 H new ATOM 713 N MET A 42 4.947 -1.179 9.609 1.00 0.00 N ATOM 714 CA MET A 42 5.153 -1.069 11.049 1.00 0.00 C ATOM 715 C MET A 42 5.883 -2.295 11.588 1.00 0.00 C ATOM 716 O MET A 42 5.923 -3.341 10.940 1.00 0.00 O ATOM 717 CB MET A 42 3.812 -0.902 11.766 1.00 0.00 C ATOM 718 CG MET A 42 3.131 0.427 11.480 1.00 0.00 C ATOM 719 SD MET A 42 3.994 1.824 12.224 1.00 0.00 S ATOM 720 CE MET A 42 4.127 2.927 10.819 1.00 0.00 C ATOM 0 H MET A 42 4.010 -1.476 9.338 1.00 0.00 H new ATOM 0 HA MET A 42 5.769 -0.190 11.237 1.00 0.00 H new ATOM 0 HB2 MET A 42 3.147 -1.713 11.469 1.00 0.00 H new ATOM 0 HB3 MET A 42 3.970 -0.996 12.840 1.00 0.00 H new ATOM 0 HG2 MET A 42 3.070 0.575 10.402 1.00 0.00 H new ATOM 0 HG3 MET A 42 2.108 0.395 11.856 1.00 0.00 H new ATOM 0 HE1 MET A 42 5.136 3.338 10.773 1.00 0.00 H new ATOM 0 HE2 MET A 42 3.918 2.376 9.902 1.00 0.00 H new ATOM 0 HE3 MET A 42 3.409 3.740 10.925 1.00 0.00 H new ATOM 730 N LYS A 43 6.458 -2.160 12.778 1.00 0.00 N ATOM 731 CA LYS A 43 7.186 -3.256 13.406 1.00 0.00 C ATOM 732 C LYS A 43 7.200 -3.101 14.923 1.00 0.00 C ATOM 733 O LYS A 43 7.816 -2.178 15.456 1.00 0.00 O ATOM 734 CB LYS A 43 8.620 -3.315 12.875 1.00 0.00 C ATOM 735 CG LYS A 43 8.794 -4.258 11.697 1.00 0.00 C ATOM 736 CD LYS A 43 9.873 -3.769 10.746 1.00 0.00 C ATOM 737 CE LYS A 43 9.293 -2.889 9.649 1.00 0.00 C ATOM 738 NZ LYS A 43 10.322 -2.507 8.642 1.00 0.00 N ATOM 0 H LYS A 43 6.434 -1.301 13.328 1.00 0.00 H new ATOM 0 HA LYS A 43 6.676 -4.187 13.158 1.00 0.00 H new ATOM 0 HB2 LYS A 43 8.930 -2.313 12.577 1.00 0.00 H new ATOM 0 HB3 LYS A 43 9.284 -3.627 13.681 1.00 0.00 H new ATOM 0 HG2 LYS A 43 9.052 -5.253 12.061 1.00 0.00 H new ATOM 0 HG3 LYS A 43 7.849 -4.350 11.161 1.00 0.00 H new ATOM 0 HD2 LYS A 43 10.624 -3.210 11.303 1.00 0.00 H new ATOM 0 HD3 LYS A 43 10.379 -4.624 10.298 1.00 0.00 H new ATOM 0 HE2 LYS A 43 8.478 -3.416 9.153 1.00 0.00 H new ATOM 0 HE3 LYS A 43 8.867 -1.989 10.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 9.887 -1.908 7.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 11.088 -1.982 9.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 10.710 -3.365 8.200 1.00 0.00 H new ATOM 752 N ASP A 44 6.521 -4.011 15.613 1.00 0.00 N ATOM 753 CA ASP A 44 6.458 -3.976 17.070 1.00 0.00 C ATOM 754 C ASP A 44 7.852 -3.829 17.670 1.00 0.00 C ATOM 755 O ASP A 44 8.850 -3.791 16.949 1.00 0.00 O ATOM 756 CB ASP A 44 5.791 -5.245 17.603 1.00 0.00 C ATOM 757 CG ASP A 44 5.145 -5.033 18.958 1.00 0.00 C ATOM 758 OD1 ASP A 44 4.267 -4.152 19.065 1.00 0.00 O ATOM 759 OD2 ASP A 44 5.517 -5.749 19.911 1.00 0.00 O ATOM 0 H ASP A 44 6.006 -4.782 15.187 1.00 0.00 H new ATOM 0 HA ASP A 44 5.863 -3.111 17.363 1.00 0.00 H new ATOM 0 HB2 ASP A 44 5.036 -5.581 16.892 1.00 0.00 H new ATOM 0 HB3 ASP A 44 6.534 -6.039 17.678 1.00 0.00 H new ATOM 764 N LYS A 45 7.915 -3.745 18.995 1.00 0.00 N ATOM 765 CA LYS A 45 9.186 -3.602 19.694 1.00 0.00 C ATOM 766 C LYS A 45 9.553 -4.889 20.425 1.00 0.00 C ATOM 767 O LYS A 45 10.717 -5.115 20.758 1.00 0.00 O ATOM 768 CB LYS A 45 9.117 -2.440 20.688 1.00 0.00 C ATOM 769 CG LYS A 45 10.452 -2.113 21.335 1.00 0.00 C ATOM 770 CD LYS A 45 10.336 -0.936 22.288 1.00 0.00 C ATOM 771 CE LYS A 45 11.671 -0.613 22.941 1.00 0.00 C ATOM 772 NZ LYS A 45 12.145 -1.723 23.813 1.00 0.00 N ATOM 0 H LYS A 45 7.099 -3.774 19.606 1.00 0.00 H new ATOM 0 HA LYS A 45 9.958 -3.393 18.953 1.00 0.00 H new ATOM 0 HB2 LYS A 45 8.746 -1.554 20.173 1.00 0.00 H new ATOM 0 HB3 LYS A 45 8.395 -2.682 21.467 1.00 0.00 H new ATOM 0 HG2 LYS A 45 10.819 -2.985 21.876 1.00 0.00 H new ATOM 0 HG3 LYS A 45 11.186 -1.885 20.562 1.00 0.00 H new ATOM 0 HD2 LYS A 45 9.974 -0.062 21.746 1.00 0.00 H new ATOM 0 HD3 LYS A 45 9.598 -1.162 23.058 1.00 0.00 H new ATOM 0 HE2 LYS A 45 12.414 -0.415 22.169 1.00 0.00 H new ATOM 0 HE3 LYS A 45 11.575 0.298 23.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 12.953 -1.397 24.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 11.375 -2.021 24.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 12.438 -2.527 23.223 1.00 0.00 H new ATOM 786 N ASP A 46 8.555 -5.730 20.669 1.00 0.00 N ATOM 787 CA ASP A 46 8.773 -6.997 21.358 1.00 0.00 C ATOM 788 C ASP A 46 8.854 -8.150 20.363 1.00 0.00 C ATOM 789 O ASP A 46 9.920 -8.731 20.154 1.00 0.00 O ATOM 790 CB ASP A 46 7.651 -7.255 22.365 1.00 0.00 C ATOM 791 CG ASP A 46 7.922 -6.611 23.711 1.00 0.00 C ATOM 792 OD1 ASP A 46 7.546 -5.434 23.893 1.00 0.00 O ATOM 793 OD2 ASP A 46 8.510 -7.285 24.582 1.00 0.00 O ATOM 0 H ASP A 46 7.586 -5.558 20.400 1.00 0.00 H new ATOM 0 HA ASP A 46 9.722 -6.933 21.891 1.00 0.00 H new ATOM 0 HB2 ASP A 46 6.712 -6.872 21.965 1.00 0.00 H new ATOM 0 HB3 ASP A 46 7.526 -8.330 22.498 1.00 0.00 H new ATOM 798 N THR A 47 7.721 -8.478 19.751 1.00 0.00 N ATOM 799 CA THR A 47 7.663 -9.563 18.779 1.00 0.00 C ATOM 800 C THR A 47 8.379 -9.184 17.488 1.00 0.00 C ATOM 801 O THR A 47 8.733 -10.048 16.686 1.00 0.00 O ATOM 802 CB THR A 47 6.207 -9.947 18.452 1.00 0.00 C ATOM 803 OG1 THR A 47 5.498 -8.805 17.960 1.00 0.00 O ATOM 804 CG2 THR A 47 5.503 -10.496 19.683 1.00 0.00 C ATOM 0 H THR A 47 6.830 -8.008 19.911 1.00 0.00 H new ATOM 0 HA THR A 47 8.164 -10.419 19.231 1.00 0.00 H new ATOM 0 HB THR A 47 6.222 -10.722 17.686 1.00 0.00 H new ATOM 0 HG1 THR A 47 4.574 -9.058 17.753 1.00 0.00 H new ATOM 0 HG21 THR A 47 4.477 -10.760 19.428 1.00 0.00 H new ATOM 0 HG22 THR A 47 6.028 -11.383 20.038 1.00 0.00 H new ATOM 0 HG23 THR A 47 5.498 -9.739 20.467 1.00 0.00 H new ATOM 812 N ARG A 48 8.590 -7.886 17.293 1.00 0.00 N ATOM 813 CA ARG A 48 9.264 -7.393 16.098 1.00 0.00 C ATOM 814 C ARG A 48 8.588 -7.921 14.836 1.00 0.00 C ATOM 815 O ARG A 48 9.256 -8.354 13.896 1.00 0.00 O ATOM 816 CB ARG A 48 10.737 -7.804 16.111 1.00 0.00 C ATOM 817 CG ARG A 48 11.650 -6.822 15.394 1.00 0.00 C ATOM 818 CD ARG A 48 13.088 -6.947 15.873 1.00 0.00 C ATOM 819 NE ARG A 48 13.246 -6.500 17.254 1.00 0.00 N ATOM 820 CZ ARG A 48 14.397 -6.549 17.915 1.00 0.00 C ATOM 821 NH1 ARG A 48 15.485 -7.022 17.324 1.00 0.00 N ATOM 822 NH2 ARG A 48 14.462 -6.123 19.170 1.00 0.00 N ATOM 0 H ARG A 48 8.304 -7.157 17.947 1.00 0.00 H new ATOM 0 HA ARG A 48 9.198 -6.305 16.097 1.00 0.00 H new ATOM 0 HB2 ARG A 48 11.068 -7.906 17.145 1.00 0.00 H new ATOM 0 HB3 ARG A 48 10.836 -8.785 15.646 1.00 0.00 H new ATOM 0 HG2 ARG A 48 11.606 -7.001 14.320 1.00 0.00 H new ATOM 0 HG3 ARG A 48 11.296 -5.805 15.563 1.00 0.00 H new ATOM 0 HD2 ARG A 48 13.409 -7.985 15.789 1.00 0.00 H new ATOM 0 HD3 ARG A 48 13.738 -6.359 15.225 1.00 0.00 H new ATOM 0 HE ARG A 48 12.428 -6.130 17.738 1.00 0.00 H new ATOM 0 HH11 ARG A 48 15.440 -7.350 16.359 1.00 0.00 H new ATOM 0 HH12 ARG A 48 16.368 -7.058 17.834 1.00 0.00 H new ATOM 0 HH21 ARG A 48 13.627 -5.757 19.628 1.00 0.00 H new ATOM 0 HH22 ARG A 48 15.347 -6.161 19.676 1.00 0.00 H new ATOM 836 N LYS A 49 7.260 -7.882 14.821 1.00 0.00 N ATOM 837 CA LYS A 49 6.493 -8.355 13.675 1.00 0.00 C ATOM 838 C LYS A 49 5.693 -7.218 13.049 1.00 0.00 C ATOM 839 O LYS A 49 5.340 -6.250 13.724 1.00 0.00 O ATOM 840 CB LYS A 49 5.551 -9.485 14.098 1.00 0.00 C ATOM 841 CG LYS A 49 6.271 -10.712 14.629 1.00 0.00 C ATOM 842 CD LYS A 49 7.359 -11.176 13.675 1.00 0.00 C ATOM 843 CE LYS A 49 7.712 -12.638 13.901 1.00 0.00 C ATOM 844 NZ LYS A 49 6.646 -13.550 13.402 1.00 0.00 N ATOM 0 H LYS A 49 6.692 -7.527 15.590 1.00 0.00 H new ATOM 0 HA LYS A 49 7.194 -8.734 12.931 1.00 0.00 H new ATOM 0 HB2 LYS A 49 4.872 -9.112 14.865 1.00 0.00 H new ATOM 0 HB3 LYS A 49 4.939 -9.775 13.244 1.00 0.00 H new ATOM 0 HG2 LYS A 49 6.710 -10.485 15.601 1.00 0.00 H new ATOM 0 HG3 LYS A 49 5.553 -11.518 14.784 1.00 0.00 H new ATOM 0 HD2 LYS A 49 7.027 -11.036 12.646 1.00 0.00 H new ATOM 0 HD3 LYS A 49 8.249 -10.561 13.809 1.00 0.00 H new ATOM 0 HE2 LYS A 49 8.651 -12.867 13.397 1.00 0.00 H new ATOM 0 HE3 LYS A 49 7.871 -12.813 14.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 7.020 -14.518 13.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 5.839 -13.533 14.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 6.333 -13.236 12.461 1.00 0.00 H new ATOM 858 N SER A 50 5.408 -7.342 11.757 1.00 0.00 N ATOM 859 CA SER A 50 4.650 -6.323 11.040 1.00 0.00 C ATOM 860 C SER A 50 3.225 -6.228 11.575 1.00 0.00 C ATOM 861 O SER A 50 2.664 -5.139 11.692 1.00 0.00 O ATOM 862 CB SER A 50 4.625 -6.636 9.543 1.00 0.00 C ATOM 863 OG SER A 50 3.880 -5.663 8.831 1.00 0.00 O ATOM 0 H SER A 50 5.690 -8.138 11.185 1.00 0.00 H new ATOM 0 HA SER A 50 5.142 -5.363 11.196 1.00 0.00 H new ATOM 0 HB2 SER A 50 5.644 -6.671 9.159 1.00 0.00 H new ATOM 0 HB3 SER A 50 4.189 -7.622 9.382 1.00 0.00 H new ATOM 0 HG SER A 50 3.880 -5.885 7.876 1.00 0.00 H new ATOM 869 N LYS A 51 2.644 -7.378 11.901 1.00 0.00 N ATOM 870 CA LYS A 51 1.285 -7.428 12.426 1.00 0.00 C ATOM 871 C LYS A 51 0.290 -6.869 11.413 1.00 0.00 C ATOM 872 O LYS A 51 -0.787 -6.400 11.780 1.00 0.00 O ATOM 873 CB LYS A 51 1.192 -6.641 13.735 1.00 0.00 C ATOM 874 CG LYS A 51 2.179 -7.103 14.793 1.00 0.00 C ATOM 875 CD LYS A 51 2.074 -6.266 16.057 1.00 0.00 C ATOM 876 CE LYS A 51 0.804 -6.582 16.831 1.00 0.00 C ATOM 877 NZ LYS A 51 0.962 -7.791 17.686 1.00 0.00 N ATOM 0 H LYS A 51 3.094 -8.289 11.811 1.00 0.00 H new ATOM 0 HA LYS A 51 1.035 -8.471 12.618 1.00 0.00 H new ATOM 0 HB2 LYS A 51 1.363 -5.585 13.527 1.00 0.00 H new ATOM 0 HB3 LYS A 51 0.180 -6.728 14.131 1.00 0.00 H new ATOM 0 HG2 LYS A 51 1.994 -8.150 15.032 1.00 0.00 H new ATOM 0 HG3 LYS A 51 3.193 -7.041 14.398 1.00 0.00 H new ATOM 0 HD2 LYS A 51 2.942 -6.450 16.690 1.00 0.00 H new ATOM 0 HD3 LYS A 51 2.088 -5.208 15.796 1.00 0.00 H new ATOM 0 HE2 LYS A 51 0.537 -5.729 17.454 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -0.018 -6.736 16.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 0.075 -7.973 18.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 1.192 -8.611 17.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 1.730 -7.635 18.370 1.00 0.00 H new ATOM 891 N GLY A 52 0.658 -6.924 10.136 1.00 0.00 N ATOM 892 CA GLY A 52 -0.214 -6.421 9.091 1.00 0.00 C ATOM 893 C GLY A 52 -0.168 -4.911 8.974 1.00 0.00 C ATOM 894 O GLY A 52 -0.205 -4.365 7.871 1.00 0.00 O ATOM 0 H GLY A 52 1.544 -7.308 9.807 1.00 0.00 H new ATOM 0 HA2 GLY A 52 0.073 -6.865 8.138 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -1.238 -6.736 9.294 1.00 0.00 H new ATOM 898 N VAL A 53 -0.088 -4.232 10.114 1.00 0.00 N ATOM 899 CA VAL A 53 -0.037 -2.775 10.135 1.00 0.00 C ATOM 900 C VAL A 53 1.051 -2.250 9.204 1.00 0.00 C ATOM 901 O VAL A 53 2.241 -2.395 9.481 1.00 0.00 O ATOM 902 CB VAL A 53 0.219 -2.243 11.557 1.00 0.00 C ATOM 903 CG1 VAL A 53 -0.187 -0.781 11.661 1.00 0.00 C ATOM 904 CG2 VAL A 53 -0.525 -3.085 12.583 1.00 0.00 C ATOM 0 H VAL A 53 -0.057 -4.668 11.036 1.00 0.00 H new ATOM 0 HA VAL A 53 -1.008 -2.419 9.791 1.00 0.00 H new ATOM 0 HB VAL A 53 1.286 -2.315 11.766 1.00 0.00 H new ATOM 0 HG11 VAL A 53 0.001 -0.422 12.673 1.00 0.00 H new ATOM 0 HG12 VAL A 53 0.394 -0.191 10.953 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -1.248 -0.681 11.432 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -0.333 -2.695 13.582 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -1.595 -3.047 12.378 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -0.181 -4.118 12.524 1.00 0.00 H new ATOM 914 N ALA A 54 0.633 -1.639 8.100 1.00 0.00 N ATOM 915 CA ALA A 54 1.571 -1.090 7.130 1.00 0.00 C ATOM 916 C ALA A 54 1.050 0.217 6.541 1.00 0.00 C ATOM 917 O ALA A 54 -0.147 0.362 6.289 1.00 0.00 O ATOM 918 CB ALA A 54 1.838 -2.100 6.024 1.00 0.00 C ATOM 0 H ALA A 54 -0.349 -1.512 7.856 1.00 0.00 H new ATOM 0 HA ALA A 54 2.507 -0.878 7.647 1.00 0.00 H new ATOM 0 HB1 ALA A 54 2.541 -1.676 5.306 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.262 -3.007 6.454 1.00 0.00 H new ATOM 0 HB3 ALA A 54 0.903 -2.341 5.518 1.00 0.00 H new ATOM 924 N PHE A 55 1.955 1.165 6.324 1.00 0.00 N ATOM 925 CA PHE A 55 1.585 2.461 5.766 1.00 0.00 C ATOM 926 C PHE A 55 1.999 2.560 4.301 1.00 0.00 C ATOM 927 O PHE A 55 3.166 2.363 3.959 1.00 0.00 O ATOM 928 CB PHE A 55 2.236 3.590 6.569 1.00 0.00 C ATOM 929 CG PHE A 55 1.570 3.846 7.890 1.00 0.00 C ATOM 930 CD1 PHE A 55 1.441 2.831 8.825 1.00 0.00 C ATOM 931 CD2 PHE A 55 1.072 5.102 8.198 1.00 0.00 C ATOM 932 CE1 PHE A 55 0.828 3.064 10.042 1.00 0.00 C ATOM 933 CE2 PHE A 55 0.460 5.341 9.414 1.00 0.00 C ATOM 934 CZ PHE A 55 0.336 4.320 10.336 1.00 0.00 C ATOM 0 H PHE A 55 2.949 1.061 6.526 1.00 0.00 H new ATOM 0 HA PHE A 55 0.501 2.559 5.827 1.00 0.00 H new ATOM 0 HB2 PHE A 55 3.284 3.345 6.741 1.00 0.00 H new ATOM 0 HB3 PHE A 55 2.215 4.505 5.977 1.00 0.00 H new ATOM 0 HD1 PHE A 55 1.824 1.846 8.600 1.00 0.00 H new ATOM 0 HD2 PHE A 55 1.163 5.903 7.480 1.00 0.00 H new ATOM 0 HE1 PHE A 55 0.734 2.264 10.762 1.00 0.00 H new ATOM 0 HE2 PHE A 55 0.079 6.325 9.643 1.00 0.00 H new ATOM 0 HZ PHE A 55 -0.145 4.504 11.285 1.00 0.00 H new ATOM 944 N ILE A 56 1.035 2.866 3.439 1.00 0.00 N ATOM 945 CA ILE A 56 1.299 2.992 2.011 1.00 0.00 C ATOM 946 C ILE A 56 1.374 4.457 1.593 1.00 0.00 C ATOM 947 O ILE A 56 0.455 5.235 1.851 1.00 0.00 O ATOM 948 CB ILE A 56 0.216 2.286 1.175 1.00 0.00 C ATOM 949 CG1 ILE A 56 0.014 0.852 1.668 1.00 0.00 C ATOM 950 CG2 ILE A 56 0.594 2.297 -0.299 1.00 0.00 C ATOM 951 CD1 ILE A 56 1.222 -0.035 1.458 1.00 0.00 C ATOM 0 H ILE A 56 0.064 3.031 3.705 1.00 0.00 H new ATOM 0 HA ILE A 56 2.260 2.514 1.824 1.00 0.00 H new ATOM 0 HB ILE A 56 -0.723 2.826 1.293 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -0.231 0.873 2.730 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -0.841 0.416 1.152 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -0.181 1.794 -0.877 1.00 0.00 H new ATOM 0 HG22 ILE A 56 0.692 3.327 -0.642 1.00 0.00 H new ATOM 0 HG23 ILE A 56 1.543 1.778 -0.435 1.00 0.00 H new ATOM 0 HD11 ILE A 56 1.007 -1.036 1.831 1.00 0.00 H new ATOM 0 HD12 ILE A 56 1.455 -0.086 0.395 1.00 0.00 H new ATOM 0 HD13 ILE A 56 2.075 0.378 1.997 1.00 0.00 H new ATOM 963 N LEU A 57 2.473 4.825 0.945 1.00 0.00 N ATOM 964 CA LEU A 57 2.668 6.197 0.488 1.00 0.00 C ATOM 965 C LEU A 57 2.261 6.347 -0.975 1.00 0.00 C ATOM 966 O LEU A 57 2.723 5.600 -1.838 1.00 0.00 O ATOM 967 CB LEU A 57 4.129 6.612 0.668 1.00 0.00 C ATOM 968 CG LEU A 57 4.401 8.117 0.692 1.00 0.00 C ATOM 969 CD1 LEU A 57 5.762 8.404 1.308 1.00 0.00 C ATOM 970 CD2 LEU A 57 4.317 8.697 -0.712 1.00 0.00 C ATOM 0 H LEU A 57 3.243 4.193 0.724 1.00 0.00 H new ATOM 0 HA LEU A 57 2.035 6.848 1.090 1.00 0.00 H new ATOM 0 HB2 LEU A 57 4.496 6.182 1.600 1.00 0.00 H new ATOM 0 HB3 LEU A 57 4.713 6.170 -0.139 1.00 0.00 H new ATOM 0 HG LEU A 57 3.638 8.594 1.307 1.00 0.00 H new ATOM 0 HD11 LEU A 57 5.938 9.480 1.317 1.00 0.00 H new ATOM 0 HD12 LEU A 57 5.786 8.024 2.329 1.00 0.00 H new ATOM 0 HD13 LEU A 57 6.538 7.914 0.720 1.00 0.00 H new ATOM 0 HD21 LEU A 57 4.513 9.769 -0.675 1.00 0.00 H new ATOM 0 HD22 LEU A 57 5.057 8.214 -1.350 1.00 0.00 H new ATOM 0 HD23 LEU A 57 3.320 8.524 -1.118 1.00 0.00 H new ATOM 982 N PHE A 58 1.396 7.318 -1.246 1.00 0.00 N ATOM 983 CA PHE A 58 0.928 7.568 -2.605 1.00 0.00 C ATOM 984 C PHE A 58 1.479 8.888 -3.136 1.00 0.00 C ATOM 985 O PHE A 58 1.870 9.766 -2.366 1.00 0.00 O ATOM 986 CB PHE A 58 -0.601 7.587 -2.645 1.00 0.00 C ATOM 987 CG PHE A 58 -1.225 6.247 -2.377 1.00 0.00 C ATOM 988 CD1 PHE A 58 -1.234 5.716 -1.097 1.00 0.00 C ATOM 989 CD2 PHE A 58 -1.802 5.519 -3.405 1.00 0.00 C ATOM 990 CE1 PHE A 58 -1.807 4.483 -0.848 1.00 0.00 C ATOM 991 CE2 PHE A 58 -2.376 4.285 -3.162 1.00 0.00 C ATOM 992 CZ PHE A 58 -2.379 3.767 -1.881 1.00 0.00 C ATOM 0 H PHE A 58 1.005 7.945 -0.543 1.00 0.00 H new ATOM 0 HA PHE A 58 1.291 6.761 -3.242 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -0.967 8.303 -1.909 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -0.926 7.941 -3.623 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -0.788 6.272 -0.285 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -1.803 5.920 -4.408 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -1.807 4.080 0.154 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -2.821 3.727 -3.972 1.00 0.00 H new ATOM 0 HZ PHE A 58 -2.828 2.804 -1.688 1.00 0.00 H new ATOM 1002 N LEU A 59 1.507 9.021 -4.457 1.00 0.00 N ATOM 1003 CA LEU A 59 2.010 10.234 -5.094 1.00 0.00 C ATOM 1004 C LEU A 59 1.072 11.410 -4.842 1.00 0.00 C ATOM 1005 O LEU A 59 1.484 12.444 -4.316 1.00 0.00 O ATOM 1006 CB LEU A 59 2.176 10.013 -6.598 1.00 0.00 C ATOM 1007 CG LEU A 59 3.069 11.016 -7.329 1.00 0.00 C ATOM 1008 CD1 LEU A 59 4.512 10.881 -6.868 1.00 0.00 C ATOM 1009 CD2 LEU A 59 2.968 10.821 -8.835 1.00 0.00 C ATOM 0 H LEU A 59 1.187 8.304 -5.109 1.00 0.00 H new ATOM 0 HA LEU A 59 2.981 10.468 -4.658 1.00 0.00 H new ATOM 0 HB2 LEU A 59 2.582 9.014 -6.756 1.00 0.00 H new ATOM 0 HB3 LEU A 59 1.189 10.033 -7.059 1.00 0.00 H new ATOM 0 HG LEU A 59 2.725 12.022 -7.089 1.00 0.00 H new ATOM 0 HD11 LEU A 59 5.133 11.603 -7.399 1.00 0.00 H new ATOM 0 HD12 LEU A 59 4.571 11.071 -5.796 1.00 0.00 H new ATOM 0 HD13 LEU A 59 4.868 9.872 -7.078 1.00 0.00 H new ATOM 0 HD21 LEU A 59 3.610 11.543 -9.339 1.00 0.00 H new ATOM 0 HD22 LEU A 59 3.286 9.811 -9.093 1.00 0.00 H new ATOM 0 HD23 LEU A 59 1.936 10.969 -9.153 1.00 0.00 H new ATOM 1021 N ASP A 60 -0.191 11.244 -5.219 1.00 0.00 N ATOM 1022 CA ASP A 60 -1.189 12.291 -5.031 1.00 0.00 C ATOM 1023 C ASP A 60 -2.249 11.856 -4.024 1.00 0.00 C ATOM 1024 O ASP A 60 -2.869 10.803 -4.174 1.00 0.00 O ATOM 1025 CB ASP A 60 -1.849 12.642 -6.365 1.00 0.00 C ATOM 1026 CG ASP A 60 -3.022 13.588 -6.200 1.00 0.00 C ATOM 1027 OD1 ASP A 60 -3.320 13.968 -5.049 1.00 0.00 O ATOM 1028 OD2 ASP A 60 -3.640 13.949 -7.223 1.00 0.00 O ATOM 0 H ASP A 60 -0.548 10.395 -5.657 1.00 0.00 H new ATOM 0 HA ASP A 60 -0.684 13.175 -4.641 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -1.110 13.097 -7.024 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -2.189 11.727 -6.850 1.00 0.00 H new ATOM 1033 N LYS A 61 -2.452 12.674 -2.996 1.00 0.00 N ATOM 1034 CA LYS A 61 -3.437 12.375 -1.963 1.00 0.00 C ATOM 1035 C LYS A 61 -4.764 11.951 -2.583 1.00 0.00 C ATOM 1036 O LYS A 61 -5.394 10.994 -2.131 1.00 0.00 O ATOM 1037 CB LYS A 61 -3.649 13.595 -1.064 1.00 0.00 C ATOM 1038 CG LYS A 61 -4.151 14.820 -1.809 1.00 0.00 C ATOM 1039 CD LYS A 61 -5.669 14.878 -1.829 1.00 0.00 C ATOM 1040 CE LYS A 61 -6.220 15.482 -0.546 1.00 0.00 C ATOM 1041 NZ LYS A 61 -7.653 15.865 -0.684 1.00 0.00 N ATOM 0 H LYS A 61 -1.947 13.549 -2.856 1.00 0.00 H new ATOM 0 HA LYS A 61 -3.057 11.549 -1.362 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -4.362 13.339 -0.281 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -2.708 13.840 -0.571 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -3.758 15.720 -1.337 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -3.773 14.805 -2.831 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -6.000 15.469 -2.683 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -6.071 13.874 -1.962 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -6.112 14.765 0.268 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -5.634 16.361 -0.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -7.991 16.273 0.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -7.753 16.568 -1.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -8.217 15.022 -0.916 1.00 0.00 H new ATOM 1055 N ASP A 62 -5.183 12.667 -3.621 1.00 0.00 N ATOM 1056 CA ASP A 62 -6.434 12.362 -4.305 1.00 0.00 C ATOM 1057 C ASP A 62 -6.573 10.861 -4.542 1.00 0.00 C ATOM 1058 O ASP A 62 -7.607 10.268 -4.236 1.00 0.00 O ATOM 1059 CB ASP A 62 -6.507 13.110 -5.638 1.00 0.00 C ATOM 1060 CG ASP A 62 -7.565 12.542 -6.563 1.00 0.00 C ATOM 1061 OD1 ASP A 62 -7.308 11.488 -7.182 1.00 0.00 O ATOM 1062 OD2 ASP A 62 -8.650 13.152 -6.670 1.00 0.00 O ATOM 0 H ASP A 62 -4.674 13.463 -4.007 1.00 0.00 H new ATOM 0 HA ASP A 62 -7.256 12.689 -3.668 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -6.720 14.162 -5.450 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -5.536 13.065 -6.130 1.00 0.00 H new ATOM 1067 N SER A 63 -5.525 10.254 -5.089 1.00 0.00 N ATOM 1068 CA SER A 63 -5.532 8.823 -5.371 1.00 0.00 C ATOM 1069 C SER A 63 -5.701 8.017 -4.086 1.00 0.00 C ATOM 1070 O SER A 63 -6.617 7.204 -3.968 1.00 0.00 O ATOM 1071 CB SER A 63 -4.237 8.415 -6.075 1.00 0.00 C ATOM 1072 OG SER A 63 -4.357 8.547 -7.481 1.00 0.00 O ATOM 0 H SER A 63 -4.660 10.730 -5.346 1.00 0.00 H new ATOM 0 HA SER A 63 -6.377 8.611 -6.027 1.00 0.00 H new ATOM 0 HB2 SER A 63 -3.414 9.034 -5.717 1.00 0.00 H new ATOM 0 HB3 SER A 63 -3.992 7.383 -5.823 1.00 0.00 H new ATOM 0 HG SER A 63 -3.515 8.282 -7.907 1.00 0.00 H new ATOM 1078 N ALA A 64 -4.812 8.250 -3.127 1.00 0.00 N ATOM 1079 CA ALA A 64 -4.863 7.548 -1.851 1.00 0.00 C ATOM 1080 C ALA A 64 -6.303 7.359 -1.386 1.00 0.00 C ATOM 1081 O ALA A 64 -6.751 6.233 -1.170 1.00 0.00 O ATOM 1082 CB ALA A 64 -4.062 8.304 -0.801 1.00 0.00 C ATOM 0 H ALA A 64 -4.047 8.920 -3.209 1.00 0.00 H new ATOM 0 HA ALA A 64 -4.421 6.561 -1.989 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -4.109 7.769 0.147 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -3.024 8.383 -1.123 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -4.479 9.303 -0.675 1.00 0.00 H new ATOM 1088 N GLN A 65 -7.021 8.466 -1.234 1.00 0.00 N ATOM 1089 CA GLN A 65 -8.410 8.421 -0.793 1.00 0.00 C ATOM 1090 C GLN A 65 -9.135 7.225 -1.401 1.00 0.00 C ATOM 1091 O GLN A 65 -9.490 6.279 -0.699 1.00 0.00 O ATOM 1092 CB GLN A 65 -9.131 9.716 -1.172 1.00 0.00 C ATOM 1093 CG GLN A 65 -8.789 10.889 -0.268 1.00 0.00 C ATOM 1094 CD GLN A 65 -9.351 10.731 1.131 1.00 0.00 C ATOM 1095 OE1 GLN A 65 -9.881 9.678 1.484 1.00 0.00 O ATOM 1096 NE2 GLN A 65 -9.238 11.781 1.936 1.00 0.00 N ATOM 0 H GLN A 65 -6.664 9.405 -1.410 1.00 0.00 H new ATOM 0 HA GLN A 65 -8.417 8.315 0.292 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -8.879 9.975 -2.200 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -10.207 9.546 -1.141 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -7.706 10.995 -0.210 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -9.176 11.808 -0.709 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -8.791 12.634 1.601 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -9.598 11.734 2.889 1.00 0.00 H new ATOM 1105 N ASN A 66 -9.353 7.275 -2.711 1.00 0.00 N ATOM 1106 CA ASN A 66 -10.038 6.196 -3.414 1.00 0.00 C ATOM 1107 C ASN A 66 -9.689 4.842 -2.803 1.00 0.00 C ATOM 1108 O ASN A 66 -10.574 4.067 -2.439 1.00 0.00 O ATOM 1109 CB ASN A 66 -9.666 6.209 -4.898 1.00 0.00 C ATOM 1110 CG ASN A 66 -10.217 5.009 -5.643 1.00 0.00 C ATOM 1111 OD1 ASN A 66 -11.341 4.572 -5.393 1.00 0.00 O ATOM 1112 ND2 ASN A 66 -9.427 4.470 -6.564 1.00 0.00 N ATOM 0 H ASN A 66 -9.065 8.051 -3.307 1.00 0.00 H new ATOM 0 HA ASN A 66 -11.112 6.355 -3.314 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -10.044 7.123 -5.356 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -8.581 6.228 -4.997 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -9.744 3.661 -7.098 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -8.503 4.865 -6.738 1.00 0.00 H new ATOM 1119 N CYS A 67 -8.394 4.565 -2.693 1.00 0.00 N ATOM 1120 CA CYS A 67 -7.928 3.304 -2.127 1.00 0.00 C ATOM 1121 C CYS A 67 -8.481 3.103 -0.720 1.00 0.00 C ATOM 1122 O CYS A 67 -8.898 2.003 -0.355 1.00 0.00 O ATOM 1123 CB CYS A 67 -6.399 3.269 -2.097 1.00 0.00 C ATOM 1124 SG CYS A 67 -5.708 1.701 -1.520 1.00 0.00 S ATOM 0 H CYS A 67 -7.649 5.196 -2.988 1.00 0.00 H new ATOM 0 HA CYS A 67 -8.290 2.494 -2.760 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -6.022 3.473 -3.099 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -6.040 4.071 -1.452 1.00 0.00 H new ATOM 0 HG CYS A 67 -6.034 0.753 -2.347 1.00 0.00 H new ATOM 1130 N THR A 68 -8.480 4.173 0.070 1.00 0.00 N ATOM 1131 CA THR A 68 -8.979 4.114 1.438 1.00 0.00 C ATOM 1132 C THR A 68 -10.473 3.814 1.466 1.00 0.00 C ATOM 1133 O THR A 68 -11.054 3.606 2.531 1.00 0.00 O ATOM 1134 CB THR A 68 -8.717 5.433 2.189 1.00 0.00 C ATOM 1135 OG1 THR A 68 -7.411 5.926 1.873 1.00 0.00 O ATOM 1136 CG2 THR A 68 -8.840 5.234 3.692 1.00 0.00 C ATOM 0 H THR A 68 -8.139 5.091 -0.215 1.00 0.00 H new ATOM 0 HA THR A 68 -8.440 3.308 1.936 1.00 0.00 H new ATOM 0 HB THR A 68 -9.465 6.160 1.873 1.00 0.00 H new ATOM 0 HG1 THR A 68 -7.450 6.447 1.044 1.00 0.00 H new ATOM 0 HG21 THR A 68 -8.651 6.179 4.201 1.00 0.00 H new ATOM 0 HG22 THR A 68 -9.845 4.888 3.932 1.00 0.00 H new ATOM 0 HG23 THR A 68 -8.112 4.492 4.022 1.00 0.00 H new ATOM 1144 N ARG A 69 -11.090 3.792 0.289 1.00 0.00 N ATOM 1145 CA ARG A 69 -12.517 3.517 0.179 1.00 0.00 C ATOM 1146 C ARG A 69 -12.768 2.274 -0.670 1.00 0.00 C ATOM 1147 O ARG A 69 -13.889 1.768 -0.731 1.00 0.00 O ATOM 1148 CB ARG A 69 -13.244 4.718 -0.429 1.00 0.00 C ATOM 1149 CG ARG A 69 -14.677 4.420 -0.837 1.00 0.00 C ATOM 1150 CD ARG A 69 -15.479 5.698 -1.029 1.00 0.00 C ATOM 1151 NE ARG A 69 -16.893 5.425 -1.272 1.00 0.00 N ATOM 1152 CZ ARG A 69 -17.704 6.262 -1.911 1.00 0.00 C ATOM 1153 NH1 ARG A 69 -17.242 7.418 -2.368 1.00 0.00 N ATOM 1154 NH2 ARG A 69 -18.979 5.943 -2.093 1.00 0.00 N ATOM 0 H ARG A 69 -10.623 3.961 -0.602 1.00 0.00 H new ATOM 0 HA ARG A 69 -12.904 3.335 1.181 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -13.243 5.536 0.292 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -12.691 5.063 -1.303 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -14.681 3.844 -1.763 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -15.152 3.802 -0.075 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -15.378 6.326 -0.144 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -15.069 6.261 -1.868 1.00 0.00 H new ATOM 0 HE ARG A 69 -17.279 4.544 -0.933 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -16.262 7.666 -2.229 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -17.866 8.059 -2.858 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -19.338 5.055 -1.742 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -19.601 6.586 -2.583 1.00 0.00 H new ATOM 1168 N ALA A 70 -11.718 1.788 -1.323 1.00 0.00 N ATOM 1169 CA ALA A 70 -11.824 0.604 -2.167 1.00 0.00 C ATOM 1170 C ALA A 70 -11.562 -0.666 -1.366 1.00 0.00 C ATOM 1171 O ALA A 70 -12.247 -1.674 -1.540 1.00 0.00 O ATOM 1172 CB ALA A 70 -10.857 0.702 -3.338 1.00 0.00 C ATOM 0 H ALA A 70 -10.784 2.196 -1.284 1.00 0.00 H new ATOM 0 HA ALA A 70 -12.842 0.554 -2.554 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -10.947 -0.189 -3.960 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -11.093 1.585 -3.932 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -9.837 0.780 -2.962 1.00 0.00 H new ATOM 1178 N ILE A 71 -10.565 -0.611 -0.489 1.00 0.00 N ATOM 1179 CA ILE A 71 -10.213 -1.758 0.339 1.00 0.00 C ATOM 1180 C ILE A 71 -10.835 -1.646 1.727 1.00 0.00 C ATOM 1181 O ILE A 71 -11.033 -2.649 2.412 1.00 0.00 O ATOM 1182 CB ILE A 71 -8.686 -1.901 0.483 1.00 0.00 C ATOM 1183 CG1 ILE A 71 -8.133 -0.802 1.393 1.00 0.00 C ATOM 1184 CG2 ILE A 71 -8.018 -1.851 -0.883 1.00 0.00 C ATOM 1185 CD1 ILE A 71 -6.685 -1.010 1.780 1.00 0.00 C ATOM 0 H ILE A 71 -9.987 0.215 -0.334 1.00 0.00 H new ATOM 0 HA ILE A 71 -10.607 -2.642 -0.163 1.00 0.00 H new ATOM 0 HB ILE A 71 -8.467 -2.867 0.937 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -8.232 0.160 0.889 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -8.739 -0.751 2.298 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -6.939 -1.953 -0.764 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -8.394 -2.666 -1.502 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -8.242 -0.898 -1.363 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -6.360 -0.194 2.425 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -6.583 -1.956 2.312 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -6.068 -1.031 0.882 1.00 0.00 H new ATOM 1197 N ASN A 72 -11.142 -0.419 2.134 1.00 0.00 N ATOM 1198 CA ASN A 72 -11.744 -0.176 3.440 1.00 0.00 C ATOM 1199 C ASN A 72 -13.047 -0.953 3.593 1.00 0.00 C ATOM 1200 O ASN A 72 -13.908 -0.920 2.715 1.00 0.00 O ATOM 1201 CB ASN A 72 -12.003 1.320 3.635 1.00 0.00 C ATOM 1202 CG ASN A 72 -13.125 1.589 4.620 1.00 0.00 C ATOM 1203 OD1 ASN A 72 -12.898 1.674 5.827 1.00 0.00 O ATOM 1204 ND2 ASN A 72 -14.343 1.723 4.107 1.00 0.00 N ATOM 0 H ASN A 72 -10.984 0.422 1.579 1.00 0.00 H new ATOM 0 HA ASN A 72 -11.046 -0.520 4.203 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -11.091 1.801 3.988 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -12.251 1.771 2.674 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -15.138 1.904 4.720 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -14.484 1.645 3.100 1.00 0.00 H new ATOM 1211 N ASN A 73 -13.185 -1.653 4.714 1.00 0.00 N ATOM 1212 CA ASN A 73 -14.384 -2.440 4.982 1.00 0.00 C ATOM 1213 C ASN A 73 -14.555 -3.542 3.941 1.00 0.00 C ATOM 1214 O ASN A 73 -15.667 -3.820 3.492 1.00 0.00 O ATOM 1215 CB ASN A 73 -15.619 -1.537 4.994 1.00 0.00 C ATOM 1216 CG ASN A 73 -15.878 -0.929 6.358 1.00 0.00 C ATOM 1217 OD1 ASN A 73 -14.945 -0.616 7.098 1.00 0.00 O ATOM 1218 ND2 ASN A 73 -17.150 -0.759 6.699 1.00 0.00 N ATOM 0 H ASN A 73 -12.482 -1.692 5.452 1.00 0.00 H new ATOM 0 HA ASN A 73 -14.273 -2.905 5.962 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -15.489 -0.739 4.263 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -16.491 -2.114 4.685 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -17.385 -0.355 7.605 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -17.892 -1.033 6.055 1.00 0.00 H new ATOM 1225 N LYS A 74 -13.446 -4.168 3.562 1.00 0.00 N ATOM 1226 CA LYS A 74 -13.471 -5.241 2.576 1.00 0.00 C ATOM 1227 C LYS A 74 -12.581 -6.401 3.011 1.00 0.00 C ATOM 1228 O LYS A 74 -11.624 -6.212 3.761 1.00 0.00 O ATOM 1229 CB LYS A 74 -13.016 -4.719 1.211 1.00 0.00 C ATOM 1230 CG LYS A 74 -13.948 -3.676 0.618 1.00 0.00 C ATOM 1231 CD LYS A 74 -15.208 -4.311 0.053 1.00 0.00 C ATOM 1232 CE LYS A 74 -16.174 -3.260 -0.473 1.00 0.00 C ATOM 1233 NZ LYS A 74 -15.578 -2.464 -1.581 1.00 0.00 N ATOM 0 H LYS A 74 -12.517 -3.950 3.924 1.00 0.00 H new ATOM 0 HA LYS A 74 -14.496 -5.603 2.496 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -12.019 -4.289 1.309 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -12.935 -5.557 0.519 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -14.218 -2.950 1.385 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -13.430 -3.130 -0.170 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -14.942 -4.997 -0.751 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -15.698 -4.902 0.827 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -17.084 -3.746 -0.824 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -16.462 -2.593 0.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -16.315 -1.879 -2.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -14.829 -1.850 -1.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -15.173 -3.107 -2.291 1.00 0.00 H new ATOM 1247 N GLN A 75 -12.903 -7.599 2.534 1.00 0.00 N ATOM 1248 CA GLN A 75 -12.130 -8.788 2.874 1.00 0.00 C ATOM 1249 C GLN A 75 -11.077 -9.076 1.809 1.00 0.00 C ATOM 1250 O GLN A 75 -11.366 -9.053 0.612 1.00 0.00 O ATOM 1251 CB GLN A 75 -13.056 -9.996 3.031 1.00 0.00 C ATOM 1252 CG GLN A 75 -14.150 -9.793 4.067 1.00 0.00 C ATOM 1253 CD GLN A 75 -15.170 -10.914 4.066 1.00 0.00 C ATOM 1254 OE1 GLN A 75 -15.450 -11.514 3.028 1.00 0.00 O ATOM 1255 NE2 GLN A 75 -15.732 -11.205 5.234 1.00 0.00 N ATOM 0 H GLN A 75 -13.693 -7.772 1.912 1.00 0.00 H new ATOM 0 HA GLN A 75 -11.622 -8.602 3.820 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -13.516 -10.219 2.068 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -12.461 -10.866 3.309 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -13.699 -9.718 5.056 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -14.656 -8.847 3.875 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -15.471 -10.682 6.070 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -16.425 -11.951 5.295 1.00 0.00 H new ATOM 1264 N LEU A 76 -9.854 -9.346 2.252 1.00 0.00 N ATOM 1265 CA LEU A 76 -8.756 -9.638 1.337 1.00 0.00 C ATOM 1266 C LEU A 76 -7.842 -10.717 1.910 1.00 0.00 C ATOM 1267 O LEU A 76 -7.457 -10.663 3.078 1.00 0.00 O ATOM 1268 CB LEU A 76 -7.951 -8.369 1.053 1.00 0.00 C ATOM 1269 CG LEU A 76 -8.601 -7.359 0.107 1.00 0.00 C ATOM 1270 CD1 LEU A 76 -9.698 -6.586 0.823 1.00 0.00 C ATOM 1271 CD2 LEU A 76 -7.556 -6.407 -0.457 1.00 0.00 C ATOM 0 H LEU A 76 -9.598 -9.369 3.239 1.00 0.00 H new ATOM 0 HA LEU A 76 -9.182 -10.007 0.404 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -7.750 -7.871 2.001 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -6.987 -8.660 0.635 1.00 0.00 H new ATOM 0 HG LEU A 76 -9.051 -7.905 -0.722 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -10.149 -5.872 0.134 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -10.460 -7.280 1.177 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -9.272 -6.051 1.672 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -8.037 -5.695 -1.128 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -7.076 -5.868 0.360 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -6.806 -6.975 -1.007 1.00 0.00 H new ATOM 1283 N PHE A 77 -7.496 -11.694 1.079 1.00 0.00 N ATOM 1284 CA PHE A 77 -6.625 -12.785 1.502 1.00 0.00 C ATOM 1285 C PHE A 77 -7.176 -13.467 2.750 1.00 0.00 C ATOM 1286 O PHE A 77 -6.431 -14.068 3.523 1.00 0.00 O ATOM 1287 CB PHE A 77 -5.213 -12.262 1.774 1.00 0.00 C ATOM 1288 CG PHE A 77 -4.446 -11.931 0.526 1.00 0.00 C ATOM 1289 CD1 PHE A 77 -4.733 -10.784 -0.196 1.00 0.00 C ATOM 1290 CD2 PHE A 77 -3.436 -12.767 0.075 1.00 0.00 C ATOM 1291 CE1 PHE A 77 -4.029 -10.478 -1.346 1.00 0.00 C ATOM 1292 CE2 PHE A 77 -2.728 -12.465 -1.073 1.00 0.00 C ATOM 1293 CZ PHE A 77 -3.025 -11.318 -1.784 1.00 0.00 C ATOM 0 H PHE A 77 -7.805 -11.753 0.109 1.00 0.00 H new ATOM 0 HA PHE A 77 -6.584 -13.518 0.696 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -5.278 -11.371 2.398 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -4.660 -13.010 2.343 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -5.515 -10.121 0.143 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -3.200 -13.665 0.627 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -4.265 -9.582 -1.901 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -1.944 -13.125 -1.414 1.00 0.00 H new ATOM 0 HZ PHE A 77 -2.473 -11.079 -2.681 1.00 0.00 H new ATOM 1303 N GLY A 78 -8.489 -13.369 2.941 1.00 0.00 N ATOM 1304 CA GLY A 78 -9.118 -13.981 4.096 1.00 0.00 C ATOM 1305 C GLY A 78 -8.817 -13.236 5.382 1.00 0.00 C ATOM 1306 O GLY A 78 -8.513 -13.849 6.406 1.00 0.00 O ATOM 0 H GLY A 78 -9.127 -12.877 2.316 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -10.197 -14.015 3.943 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -8.777 -15.012 4.188 1.00 0.00 H new ATOM 1310 N ARG A 79 -8.900 -11.911 5.330 1.00 0.00 N ATOM 1311 CA ARG A 79 -8.631 -11.082 6.499 1.00 0.00 C ATOM 1312 C ARG A 79 -9.146 -9.661 6.288 1.00 0.00 C ATOM 1313 O ARG A 79 -8.603 -8.906 5.482 1.00 0.00 O ATOM 1314 CB ARG A 79 -7.131 -11.053 6.795 1.00 0.00 C ATOM 1315 CG ARG A 79 -6.262 -11.197 5.557 1.00 0.00 C ATOM 1316 CD ARG A 79 -4.823 -11.529 5.921 1.00 0.00 C ATOM 1317 NE ARG A 79 -4.331 -10.700 7.018 1.00 0.00 N ATOM 1318 CZ ARG A 79 -3.341 -11.063 7.826 1.00 0.00 C ATOM 1319 NH1 ARG A 79 -2.740 -12.233 7.660 1.00 0.00 N ATOM 1320 NH2 ARG A 79 -2.950 -10.254 8.802 1.00 0.00 N ATOM 0 H ARG A 79 -9.151 -11.388 4.491 1.00 0.00 H new ATOM 0 HA ARG A 79 -9.154 -11.517 7.350 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -6.886 -10.115 7.293 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -6.891 -11.856 7.492 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -6.666 -11.981 4.917 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -6.289 -10.271 4.983 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -4.753 -12.580 6.201 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -4.187 -11.389 5.047 1.00 0.00 H new ATOM 0 HE ARG A 79 -4.771 -9.793 7.172 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -3.037 -12.857 6.910 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -1.980 -12.509 8.282 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -3.410 -9.353 8.932 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -2.190 -10.533 9.422 1.00 0.00 H new ATOM 1334 N VAL A 80 -10.199 -9.305 7.018 1.00 0.00 N ATOM 1335 CA VAL A 80 -10.787 -7.975 6.911 1.00 0.00 C ATOM 1336 C VAL A 80 -9.716 -6.892 6.983 1.00 0.00 C ATOM 1337 O VAL A 80 -9.139 -6.646 8.043 1.00 0.00 O ATOM 1338 CB VAL A 80 -11.825 -7.730 8.023 1.00 0.00 C ATOM 1339 CG1 VAL A 80 -12.517 -6.391 7.821 1.00 0.00 C ATOM 1340 CG2 VAL A 80 -12.839 -8.863 8.064 1.00 0.00 C ATOM 0 H VAL A 80 -10.662 -9.918 7.689 1.00 0.00 H new ATOM 0 HA VAL A 80 -11.284 -7.926 5.942 1.00 0.00 H new ATOM 0 HB VAL A 80 -11.306 -7.703 8.981 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -13.247 -6.235 8.616 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -11.777 -5.591 7.846 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -13.024 -6.386 6.856 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -13.564 -8.674 8.855 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -13.355 -8.924 7.106 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -12.325 -9.804 8.261 1.00 0.00 H new ATOM 1350 N ILE A 81 -9.456 -6.249 5.850 1.00 0.00 N ATOM 1351 CA ILE A 81 -8.456 -5.191 5.786 1.00 0.00 C ATOM 1352 C ILE A 81 -9.096 -3.817 5.952 1.00 0.00 C ATOM 1353 O ILE A 81 -10.087 -3.498 5.294 1.00 0.00 O ATOM 1354 CB ILE A 81 -7.683 -5.227 4.454 1.00 0.00 C ATOM 1355 CG1 ILE A 81 -7.011 -6.589 4.266 1.00 0.00 C ATOM 1356 CG2 ILE A 81 -6.651 -4.111 4.410 1.00 0.00 C ATOM 1357 CD1 ILE A 81 -5.874 -6.569 3.269 1.00 0.00 C ATOM 0 H ILE A 81 -9.924 -6.442 4.964 1.00 0.00 H new ATOM 0 HA ILE A 81 -7.760 -5.366 6.606 1.00 0.00 H new ATOM 0 HB ILE A 81 -8.389 -5.075 3.637 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -6.634 -6.935 5.228 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -7.758 -7.312 3.938 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -6.113 -4.150 3.463 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -7.153 -3.148 4.503 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -5.946 -4.234 5.233 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -5.445 -7.568 3.187 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -6.249 -6.254 2.295 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -5.107 -5.871 3.606 1.00 0.00 H new ATOM 1369 N LYS A 82 -8.523 -3.005 6.834 1.00 0.00 N ATOM 1370 CA LYS A 82 -9.035 -1.663 7.085 1.00 0.00 C ATOM 1371 C LYS A 82 -8.066 -0.606 6.567 1.00 0.00 C ATOM 1372 O LYS A 82 -6.851 -0.734 6.722 1.00 0.00 O ATOM 1373 CB LYS A 82 -9.276 -1.460 8.582 1.00 0.00 C ATOM 1374 CG LYS A 82 -10.429 -2.284 9.130 1.00 0.00 C ATOM 1375 CD LYS A 82 -9.966 -3.659 9.581 1.00 0.00 C ATOM 1376 CE LYS A 82 -10.935 -4.273 10.579 1.00 0.00 C ATOM 1377 NZ LYS A 82 -10.454 -5.591 11.081 1.00 0.00 N ATOM 0 H LYS A 82 -7.703 -3.253 7.387 1.00 0.00 H new ATOM 0 HA LYS A 82 -9.980 -1.555 6.553 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -8.367 -1.716 9.126 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -9.473 -0.405 8.770 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -10.886 -1.759 9.969 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -11.197 -2.391 8.364 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -9.870 -4.314 8.715 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -8.977 -3.581 10.033 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -11.071 -3.592 11.419 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -11.910 -4.398 10.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -11.142 -5.977 11.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -10.348 -6.249 10.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -9.535 -5.469 11.553 1.00 0.00 H new ATOM 1391 N ALA A 83 -8.610 0.440 5.953 1.00 0.00 N ATOM 1392 CA ALA A 83 -7.794 1.521 5.416 1.00 0.00 C ATOM 1393 C ALA A 83 -8.280 2.877 5.917 1.00 0.00 C ATOM 1394 O ALA A 83 -9.482 3.103 6.056 1.00 0.00 O ATOM 1395 CB ALA A 83 -7.802 1.484 3.895 1.00 0.00 C ATOM 0 H ALA A 83 -9.613 0.561 5.815 1.00 0.00 H new ATOM 0 HA ALA A 83 -6.772 1.379 5.766 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -7.188 2.297 3.508 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -7.399 0.531 3.552 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -8.824 1.597 3.534 1.00 0.00 H new ATOM 1401 N SER A 84 -7.339 3.776 6.186 1.00 0.00 N ATOM 1402 CA SER A 84 -7.672 5.109 6.675 1.00 0.00 C ATOM 1403 C SER A 84 -6.520 6.079 6.435 1.00 0.00 C ATOM 1404 O SER A 84 -5.350 5.700 6.502 1.00 0.00 O ATOM 1405 CB SER A 84 -8.008 5.058 8.167 1.00 0.00 C ATOM 1406 OG SER A 84 -9.141 4.241 8.407 1.00 0.00 O ATOM 0 H SER A 84 -6.340 3.606 6.074 1.00 0.00 H new ATOM 0 HA SER A 84 -8.543 5.464 6.125 1.00 0.00 H new ATOM 0 HB2 SER A 84 -7.153 4.672 8.722 1.00 0.00 H new ATOM 0 HB3 SER A 84 -8.198 6.066 8.535 1.00 0.00 H new ATOM 0 HG SER A 84 -9.602 4.064 7.560 1.00 0.00 H new ATOM 1412 N ILE A 85 -6.859 7.333 6.156 1.00 0.00 N ATOM 1413 CA ILE A 85 -5.854 8.359 5.907 1.00 0.00 C ATOM 1414 C ILE A 85 -5.078 8.688 7.177 1.00 0.00 C ATOM 1415 O ILE A 85 -5.651 9.146 8.166 1.00 0.00 O ATOM 1416 CB ILE A 85 -6.491 9.650 5.359 1.00 0.00 C ATOM 1417 CG1 ILE A 85 -7.297 9.349 4.093 1.00 0.00 C ATOM 1418 CG2 ILE A 85 -5.418 10.690 5.075 1.00 0.00 C ATOM 1419 CD1 ILE A 85 -6.441 8.948 2.912 1.00 0.00 C ATOM 0 H ILE A 85 -7.822 7.663 6.097 1.00 0.00 H new ATOM 0 HA ILE A 85 -5.170 7.956 5.160 1.00 0.00 H new ATOM 0 HB ILE A 85 -7.169 10.052 6.112 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -8.006 8.549 4.305 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -7.881 10.230 3.826 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -5.883 11.597 4.688 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -4.883 10.921 5.996 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -4.718 10.298 4.337 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -7.079 8.750 2.051 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -5.749 9.756 2.673 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -5.877 8.049 3.160 1.00 0.00 H new ATOM 1431 N ALA A 86 -3.770 8.453 7.143 1.00 0.00 N ATOM 1432 CA ALA A 86 -2.914 8.728 8.290 1.00 0.00 C ATOM 1433 C ALA A 86 -2.409 10.167 8.266 1.00 0.00 C ATOM 1434 O ALA A 86 -1.490 10.500 7.517 1.00 0.00 O ATOM 1435 CB ALA A 86 -1.744 7.757 8.321 1.00 0.00 C ATOM 0 H ALA A 86 -3.280 8.073 6.333 1.00 0.00 H new ATOM 0 HA ALA A 86 -3.507 8.594 9.195 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -1.113 7.975 9.183 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -2.120 6.737 8.395 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -1.159 7.863 7.407 1.00 0.00 H new ATOM 1441 N ILE A 87 -3.016 11.016 9.089 1.00 0.00 N ATOM 1442 CA ILE A 87 -2.627 12.419 9.161 1.00 0.00 C ATOM 1443 C ILE A 87 -1.881 12.716 10.457 1.00 0.00 C ATOM 1444 O ILE A 87 -1.785 11.864 11.340 1.00 0.00 O ATOM 1445 CB ILE A 87 -3.851 13.349 9.062 1.00 0.00 C ATOM 1446 CG1 ILE A 87 -4.848 13.036 10.180 1.00 0.00 C ATOM 1447 CG2 ILE A 87 -4.513 13.208 7.699 1.00 0.00 C ATOM 1448 CD1 ILE A 87 -5.901 14.106 10.367 1.00 0.00 C ATOM 0 H ILE A 87 -3.779 10.757 9.715 1.00 0.00 H new ATOM 0 HA ILE A 87 -1.968 12.608 8.313 1.00 0.00 H new ATOM 0 HB ILE A 87 -3.517 14.380 9.177 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -5.340 12.088 9.963 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -4.304 12.906 11.115 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -5.376 13.871 7.644 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -3.800 13.475 6.919 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -4.837 12.177 7.557 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -6.573 13.818 11.175 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -5.419 15.051 10.616 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -6.471 14.221 9.445 1.00 0.00 H new TER 1460 ILE A 87