USER MOD reduce.3.24.130724 H: found=0, std=0, add=674, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 671 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 26 SER OG : rot -94:sc= 1.29 USER MOD Set 1.2: A 32 MET CE :methyl 145:sc= -0.0105 (180deg=-1.28) USER MOD Set 2.1: A 13 THR OG1 : rot 180:sc= -0.419 USER MOD Set 2.2: A 16 GLN : amide:sc= -0.468 K(o=-2.7,f=-9.7!) USER MOD Set 2.3: A 60 CYS SG : rot -170:sc= -1.8 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 31:sc= 0.443 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 19:sc= 0.439! USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= -0.579! X(o=-0.58!,f=-0.9) USER MOD Single : A 27 LYS NZ :NH3+ 161:sc= -0.0281 (180deg=-0.284) USER MOD Single : A 29 SER OG : rot -116:sc= -1.55! USER MOD Single : A 36 LYS NZ :NH3+ 165:sc= -0.0968 (180deg=-0.417) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -3.11 K(o=-3.1,f=-12!) USER MOD Single : A 46 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0403) USER MOD Single : A 48 TYR OH : rot 108:sc= 0.0095 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 HIS : no HD1:sc= -2.88! C(o=-2.9!,f=-3.9!) USER MOD Single : A 59 LYS NZ :NH3+ -161:sc= -0.0663 (180deg=-0.406) USER MOD Single : A 65 SER OG : rot 157:sc= 1.15 USER MOD Single : A 70 LYS NZ :NH3+ -167:sc= -0.395 (180deg=-0.553) USER MOD Single : A 74 ASN : amide:sc= -0.0845 X(o=-0.084,f=0) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 ASN : amide:sc= -0.0629 X(o=-0.063,f=-0.0019) USER MOD Single : A 84 LYS NZ :NH3+ 161:sc= -0.0486 (180deg=-0.329) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 29:sc= 0.757 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -27.824 -12.757 25.175 1.00 0.00 N ATOM 2 CA GLY A 1 -27.036 -13.705 24.409 1.00 0.00 C ATOM 3 C GLY A 1 -27.276 -13.586 22.917 1.00 0.00 C ATOM 4 O GLY A 1 -27.480 -14.589 22.233 1.00 0.00 O ATOM 0 H1 GLY A 1 -27.624 -12.878 26.188 1.00 0.00 H new ATOM 0 H2 GLY A 1 -27.578 -11.788 24.887 1.00 0.00 H new ATOM 0 H3 GLY A 1 -28.835 -12.924 24.999 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -25.978 -13.546 24.618 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -27.276 -14.718 24.733 1.00 0.00 H new ATOM 8 N SER A 2 -27.253 -12.357 22.411 1.00 0.00 N ATOM 9 CA SER A 2 -27.476 -12.111 20.991 1.00 0.00 C ATOM 10 C SER A 2 -26.275 -12.564 20.166 1.00 0.00 C ATOM 11 O SER A 2 -25.146 -12.136 20.407 1.00 0.00 O ATOM 12 CB SER A 2 -27.747 -10.625 20.746 1.00 0.00 C ATOM 13 OG SER A 2 -26.622 -9.838 21.096 1.00 0.00 O ATOM 0 H SER A 2 -27.082 -11.516 22.963 1.00 0.00 H new ATOM 0 HA SER A 2 -28.347 -12.688 20.679 1.00 0.00 H new ATOM 0 HB2 SER A 2 -27.994 -10.465 19.697 1.00 0.00 H new ATOM 0 HB3 SER A 2 -28.612 -10.309 21.329 1.00 0.00 H new ATOM 0 HG SER A 2 -25.802 -10.353 20.943 1.00 0.00 H new ATOM 19 N SER A 3 -26.528 -13.432 19.192 1.00 0.00 N ATOM 20 CA SER A 3 -25.468 -13.946 18.333 1.00 0.00 C ATOM 21 C SER A 3 -24.953 -12.859 17.395 1.00 0.00 C ATOM 22 O SER A 3 -23.751 -12.611 17.313 1.00 0.00 O ATOM 23 CB SER A 3 -25.975 -15.139 17.520 1.00 0.00 C ATOM 24 OG SER A 3 -24.903 -15.974 17.116 1.00 0.00 O ATOM 0 H SER A 3 -27.457 -13.794 18.978 1.00 0.00 H new ATOM 0 HA SER A 3 -24.645 -14.272 18.969 1.00 0.00 H new ATOM 0 HB2 SER A 3 -26.683 -15.714 18.116 1.00 0.00 H new ATOM 0 HB3 SER A 3 -26.513 -14.782 16.642 1.00 0.00 H new ATOM 0 HG SER A 3 -25.254 -16.730 16.600 1.00 0.00 H new ATOM 30 N GLY A 4 -25.874 -12.212 16.686 1.00 0.00 N ATOM 31 CA GLY A 4 -25.496 -11.159 15.762 1.00 0.00 C ATOM 32 C GLY A 4 -26.663 -10.673 14.927 1.00 0.00 C ATOM 33 O GLY A 4 -27.447 -11.474 14.418 1.00 0.00 O ATOM 0 H GLY A 4 -26.876 -12.399 16.736 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -25.080 -10.321 16.322 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -24.709 -11.524 15.102 1.00 0.00 H new ATOM 37 N SER A 5 -26.781 -9.356 14.788 1.00 0.00 N ATOM 38 CA SER A 5 -27.866 -8.764 14.013 1.00 0.00 C ATOM 39 C SER A 5 -27.370 -8.310 12.644 1.00 0.00 C ATOM 40 O SER A 5 -26.455 -7.493 12.542 1.00 0.00 O ATOM 41 CB SER A 5 -28.471 -7.579 14.768 1.00 0.00 C ATOM 42 OG SER A 5 -29.328 -8.020 15.807 1.00 0.00 O ATOM 0 H SER A 5 -26.139 -8.679 15.201 1.00 0.00 H new ATOM 0 HA SER A 5 -28.634 -9.524 13.868 1.00 0.00 H new ATOM 0 HB2 SER A 5 -27.674 -6.965 15.186 1.00 0.00 H new ATOM 0 HB3 SER A 5 -29.029 -6.949 14.075 1.00 0.00 H new ATOM 0 HG SER A 5 -29.701 -7.244 16.275 1.00 0.00 H new ATOM 48 N SER A 6 -27.981 -8.846 11.592 1.00 0.00 N ATOM 49 CA SER A 6 -27.600 -8.500 10.228 1.00 0.00 C ATOM 50 C SER A 6 -28.232 -7.177 9.807 1.00 0.00 C ATOM 51 O SER A 6 -29.455 -7.052 9.746 1.00 0.00 O ATOM 52 CB SER A 6 -28.020 -9.610 9.262 1.00 0.00 C ATOM 53 OG SER A 6 -27.606 -9.317 7.938 1.00 0.00 O ATOM 0 H SER A 6 -28.742 -9.522 11.659 1.00 0.00 H new ATOM 0 HA SER A 6 -26.516 -8.391 10.196 1.00 0.00 H new ATOM 0 HB2 SER A 6 -27.586 -10.558 9.581 1.00 0.00 H new ATOM 0 HB3 SER A 6 -29.103 -9.730 9.290 1.00 0.00 H new ATOM 0 HG SER A 6 -27.885 -10.042 7.340 1.00 0.00 H new ATOM 59 N GLY A 7 -27.389 -6.191 9.516 1.00 0.00 N ATOM 60 CA GLY A 7 -27.882 -4.890 9.104 1.00 0.00 C ATOM 61 C GLY A 7 -27.477 -4.539 7.686 1.00 0.00 C ATOM 62 O GLY A 7 -28.279 -4.008 6.918 1.00 0.00 O ATOM 0 H GLY A 7 -26.373 -6.270 9.558 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -28.969 -4.875 9.182 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -27.503 -4.129 9.786 1.00 0.00 H new ATOM 66 N SER A 8 -26.229 -4.834 7.339 1.00 0.00 N ATOM 67 CA SER A 8 -25.717 -4.541 6.005 1.00 0.00 C ATOM 68 C SER A 8 -25.400 -5.828 5.250 1.00 0.00 C ATOM 69 O SER A 8 -24.828 -6.763 5.807 1.00 0.00 O ATOM 70 CB SER A 8 -24.463 -3.669 6.097 1.00 0.00 C ATOM 71 OG SER A 8 -24.773 -2.382 6.603 1.00 0.00 O ATOM 0 H SER A 8 -25.553 -5.276 7.963 1.00 0.00 H new ATOM 0 HA SER A 8 -26.489 -3.999 5.458 1.00 0.00 H new ATOM 0 HB2 SER A 8 -23.728 -4.150 6.743 1.00 0.00 H new ATOM 0 HB3 SER A 8 -24.008 -3.576 5.111 1.00 0.00 H new ATOM 0 HG SER A 8 -23.955 -1.845 6.654 1.00 0.00 H new ATOM 77 N SER A 9 -25.779 -5.867 3.976 1.00 0.00 N ATOM 78 CA SER A 9 -25.539 -7.040 3.143 1.00 0.00 C ATOM 79 C SER A 9 -24.163 -6.969 2.488 1.00 0.00 C ATOM 80 O SER A 9 -23.530 -5.914 2.460 1.00 0.00 O ATOM 81 CB SER A 9 -26.623 -7.159 2.069 1.00 0.00 C ATOM 82 OG SER A 9 -27.835 -7.644 2.620 1.00 0.00 O ATOM 0 H SER A 9 -26.253 -5.100 3.499 1.00 0.00 H new ATOM 0 HA SER A 9 -25.572 -7.922 3.782 1.00 0.00 H new ATOM 0 HB2 SER A 9 -26.793 -6.185 1.610 1.00 0.00 H new ATOM 0 HB3 SER A 9 -26.285 -7.830 1.279 1.00 0.00 H new ATOM 0 HG SER A 9 -28.512 -7.709 1.914 1.00 0.00 H new ATOM 88 N ALA A 10 -23.708 -8.101 1.960 1.00 0.00 N ATOM 89 CA ALA A 10 -22.408 -8.168 1.303 1.00 0.00 C ATOM 90 C ALA A 10 -22.546 -7.990 -0.205 1.00 0.00 C ATOM 91 O ALA A 10 -23.186 -8.797 -0.879 1.00 0.00 O ATOM 92 CB ALA A 10 -21.725 -9.490 1.620 1.00 0.00 C ATOM 0 H ALA A 10 -24.220 -8.983 1.974 1.00 0.00 H new ATOM 0 HA ALA A 10 -21.793 -7.353 1.684 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -20.755 -9.527 1.123 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -21.584 -9.578 2.697 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -22.345 -10.314 1.267 1.00 0.00 H new ATOM 98 N SER A 11 -21.942 -6.928 -0.729 1.00 0.00 N ATOM 99 CA SER A 11 -22.002 -6.641 -2.157 1.00 0.00 C ATOM 100 C SER A 11 -20.686 -6.045 -2.647 1.00 0.00 C ATOM 101 O SER A 11 -20.194 -5.060 -2.095 1.00 0.00 O ATOM 102 CB SER A 11 -23.154 -5.680 -2.459 1.00 0.00 C ATOM 103 OG SER A 11 -22.822 -4.354 -2.087 1.00 0.00 O ATOM 0 H SER A 11 -21.405 -6.252 -0.185 1.00 0.00 H new ATOM 0 HA SER A 11 -22.175 -7.580 -2.684 1.00 0.00 H new ATOM 0 HB2 SER A 11 -23.391 -5.714 -3.522 1.00 0.00 H new ATOM 0 HB3 SER A 11 -24.048 -5.999 -1.923 1.00 0.00 H new ATOM 0 HG SER A 11 -21.849 -4.273 -1.998 1.00 0.00 H new ATOM 109 N PHE A 12 -20.120 -6.649 -3.687 1.00 0.00 N ATOM 110 CA PHE A 12 -18.860 -6.179 -4.251 1.00 0.00 C ATOM 111 C PHE A 12 -18.641 -6.757 -5.646 1.00 0.00 C ATOM 112 O PHE A 12 -19.411 -7.598 -6.112 1.00 0.00 O ATOM 113 CB PHE A 12 -17.694 -6.562 -3.339 1.00 0.00 C ATOM 114 CG PHE A 12 -17.823 -7.936 -2.745 1.00 0.00 C ATOM 115 CD1 PHE A 12 -17.478 -9.058 -3.481 1.00 0.00 C ATOM 116 CD2 PHE A 12 -18.289 -8.105 -1.451 1.00 0.00 C ATOM 117 CE1 PHE A 12 -17.596 -10.323 -2.937 1.00 0.00 C ATOM 118 CE2 PHE A 12 -18.409 -9.368 -0.902 1.00 0.00 C ATOM 119 CZ PHE A 12 -18.061 -10.478 -1.646 1.00 0.00 C ATOM 0 H PHE A 12 -20.514 -7.465 -4.156 1.00 0.00 H new ATOM 0 HA PHE A 12 -18.908 -5.093 -4.330 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -16.765 -6.506 -3.907 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -17.619 -5.832 -2.533 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -17.113 -8.943 -4.491 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -18.562 -7.240 -0.865 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -17.325 -11.190 -3.521 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -18.774 -9.486 0.107 1.00 0.00 H new ATOM 0 HZ PHE A 12 -18.152 -11.466 -1.219 1.00 0.00 H new ATOM 129 N THR A 13 -17.583 -6.301 -6.310 1.00 0.00 N ATOM 130 CA THR A 13 -17.261 -6.770 -7.652 1.00 0.00 C ATOM 131 C THR A 13 -16.317 -7.965 -7.604 1.00 0.00 C ATOM 132 O THR A 13 -15.850 -8.359 -6.535 1.00 0.00 O ATOM 133 CB THR A 13 -16.618 -5.655 -8.498 1.00 0.00 C ATOM 134 OG1 THR A 13 -15.549 -5.042 -7.769 1.00 0.00 O ATOM 135 CG2 THR A 13 -17.648 -4.602 -8.878 1.00 0.00 C ATOM 0 H THR A 13 -16.934 -5.607 -5.939 1.00 0.00 H new ATOM 0 HA THR A 13 -18.200 -7.071 -8.116 1.00 0.00 H new ATOM 0 HB THR A 13 -16.225 -6.103 -9.411 1.00 0.00 H new ATOM 0 HG1 THR A 13 -15.144 -4.335 -8.314 1.00 0.00 H new ATOM 0 HG21 THR A 13 -17.171 -3.825 -9.475 1.00 0.00 H new ATOM 0 HG22 THR A 13 -18.446 -5.066 -9.458 1.00 0.00 H new ATOM 0 HG23 THR A 13 -18.066 -4.159 -7.974 1.00 0.00 H new ATOM 143 N LYS A 14 -16.038 -8.539 -8.770 1.00 0.00 N ATOM 144 CA LYS A 14 -15.146 -9.690 -8.863 1.00 0.00 C ATOM 145 C LYS A 14 -13.723 -9.308 -8.468 1.00 0.00 C ATOM 146 O LYS A 14 -13.122 -9.935 -7.597 1.00 0.00 O ATOM 147 CB LYS A 14 -15.159 -10.257 -10.284 1.00 0.00 C ATOM 148 CG LYS A 14 -16.280 -11.250 -10.533 1.00 0.00 C ATOM 149 CD LYS A 14 -16.630 -11.338 -12.009 1.00 0.00 C ATOM 150 CE LYS A 14 -18.096 -11.688 -12.214 1.00 0.00 C ATOM 151 NZ LYS A 14 -18.412 -11.933 -13.648 1.00 0.00 N ATOM 0 H LYS A 14 -16.417 -8.226 -9.664 1.00 0.00 H new ATOM 0 HA LYS A 14 -15.503 -10.453 -8.171 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -15.250 -9.434 -10.993 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -14.204 -10.744 -10.481 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -15.983 -12.234 -10.169 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -17.162 -10.953 -9.966 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -16.411 -10.386 -12.493 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -16.005 -12.091 -12.488 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -18.343 -12.575 -11.631 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -18.719 -10.876 -11.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -19.420 -12.168 -13.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -18.201 -11.078 -14.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -17.836 -12.724 -14.000 1.00 0.00 H new ATOM 165 N GLU A 15 -13.191 -8.276 -9.116 1.00 0.00 N ATOM 166 CA GLU A 15 -11.838 -7.812 -8.831 1.00 0.00 C ATOM 167 C GLU A 15 -11.580 -7.777 -7.327 1.00 0.00 C ATOM 168 O GLU A 15 -10.670 -8.438 -6.828 1.00 0.00 O ATOM 169 CB GLU A 15 -11.615 -6.422 -9.430 1.00 0.00 C ATOM 170 CG GLU A 15 -11.226 -6.447 -10.898 1.00 0.00 C ATOM 171 CD GLU A 15 -10.843 -5.077 -11.424 1.00 0.00 C ATOM 172 OE1 GLU A 15 -9.818 -4.532 -10.965 1.00 0.00 O ATOM 173 OE2 GLU A 15 -11.569 -4.550 -12.293 1.00 0.00 O ATOM 0 H GLU A 15 -13.675 -7.746 -9.841 1.00 0.00 H new ATOM 0 HA GLU A 15 -11.138 -8.513 -9.286 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -12.526 -5.835 -9.314 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -10.834 -5.913 -8.865 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -10.390 -7.132 -11.037 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -12.058 -6.837 -11.484 1.00 0.00 H new ATOM 180 N GLN A 16 -12.388 -7.002 -6.612 1.00 0.00 N ATOM 181 CA GLN A 16 -12.247 -6.880 -5.166 1.00 0.00 C ATOM 182 C GLN A 16 -12.163 -8.254 -4.509 1.00 0.00 C ATOM 183 O GLN A 16 -11.166 -8.587 -3.870 1.00 0.00 O ATOM 184 CB GLN A 16 -13.421 -6.093 -4.582 1.00 0.00 C ATOM 185 CG GLN A 16 -13.634 -4.739 -5.240 1.00 0.00 C ATOM 186 CD GLN A 16 -14.882 -4.037 -4.741 1.00 0.00 C ATOM 187 OE1 GLN A 16 -15.982 -4.588 -4.797 1.00 0.00 O ATOM 188 NE2 GLN A 16 -14.717 -2.815 -4.250 1.00 0.00 N ATOM 0 H GLN A 16 -13.147 -6.449 -7.010 1.00 0.00 H new ATOM 0 HA GLN A 16 -11.321 -6.342 -4.961 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -14.331 -6.684 -4.684 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -13.254 -5.947 -3.515 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -12.766 -4.107 -5.051 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -13.703 -4.871 -6.320 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -13.787 -2.397 -4.223 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -15.520 -2.293 -3.899 1.00 0.00 H new ATOM 197 N ALA A 17 -13.217 -9.047 -4.671 1.00 0.00 N ATOM 198 CA ALA A 17 -13.262 -10.385 -4.096 1.00 0.00 C ATOM 199 C ALA A 17 -12.003 -11.173 -4.439 1.00 0.00 C ATOM 200 O ALA A 17 -11.493 -11.936 -3.618 1.00 0.00 O ATOM 201 CB ALA A 17 -14.500 -11.127 -4.580 1.00 0.00 C ATOM 0 H ALA A 17 -14.051 -8.785 -5.196 1.00 0.00 H new ATOM 0 HA ALA A 17 -13.312 -10.286 -3.012 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -14.520 -12.125 -4.142 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -15.393 -10.580 -4.278 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -14.474 -11.208 -5.667 1.00 0.00 H new ATOM 207 N ASP A 18 -11.506 -10.984 -5.657 1.00 0.00 N ATOM 208 CA ASP A 18 -10.305 -11.677 -6.108 1.00 0.00 C ATOM 209 C ASP A 18 -9.083 -11.215 -5.321 1.00 0.00 C ATOM 210 O ASP A 18 -8.172 -11.999 -5.054 1.00 0.00 O ATOM 211 CB ASP A 18 -10.085 -11.438 -7.603 1.00 0.00 C ATOM 212 CG ASP A 18 -11.113 -12.150 -8.461 1.00 0.00 C ATOM 213 OD1 ASP A 18 -11.542 -13.257 -8.075 1.00 0.00 O ATOM 214 OD2 ASP A 18 -11.487 -11.600 -9.518 1.00 0.00 O ATOM 0 H ASP A 18 -11.916 -10.357 -6.349 1.00 0.00 H new ATOM 0 HA ASP A 18 -10.444 -12.744 -5.935 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -10.125 -10.368 -7.807 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -9.087 -11.778 -7.879 1.00 0.00 H new ATOM 219 N ALA A 19 -9.069 -9.938 -4.954 1.00 0.00 N ATOM 220 CA ALA A 19 -7.959 -9.373 -4.197 1.00 0.00 C ATOM 221 C ALA A 19 -8.005 -9.820 -2.740 1.00 0.00 C ATOM 222 O ALA A 19 -6.998 -10.261 -2.185 1.00 0.00 O ATOM 223 CB ALA A 19 -7.980 -7.854 -4.286 1.00 0.00 C ATOM 0 H ALA A 19 -9.814 -9.275 -5.169 1.00 0.00 H new ATOM 0 HA ALA A 19 -7.029 -9.739 -4.633 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -7.146 -7.445 -3.716 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -7.891 -7.549 -5.329 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -8.918 -7.478 -3.877 1.00 0.00 H new ATOM 229 N ILE A 20 -9.177 -9.702 -2.126 1.00 0.00 N ATOM 230 CA ILE A 20 -9.352 -10.094 -0.733 1.00 0.00 C ATOM 231 C ILE A 20 -8.992 -11.562 -0.526 1.00 0.00 C ATOM 232 O ILE A 20 -8.303 -11.913 0.431 1.00 0.00 O ATOM 233 CB ILE A 20 -10.799 -9.860 -0.259 1.00 0.00 C ATOM 234 CG1 ILE A 20 -11.076 -8.362 -0.118 1.00 0.00 C ATOM 235 CG2 ILE A 20 -11.047 -10.577 1.059 1.00 0.00 C ATOM 236 CD1 ILE A 20 -12.436 -7.948 -0.636 1.00 0.00 C ATOM 0 H ILE A 20 -10.020 -9.338 -2.571 1.00 0.00 H new ATOM 0 HA ILE A 20 -8.680 -9.470 -0.143 1.00 0.00 H new ATOM 0 HB ILE A 20 -11.481 -10.268 -1.005 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -10.996 -8.083 0.933 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -10.307 -7.806 -0.655 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -12.074 -10.402 1.381 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -10.885 -11.647 0.927 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -10.360 -10.197 1.815 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -12.564 -6.874 -0.504 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -12.513 -8.195 -1.695 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -13.212 -8.476 -0.083 1.00 0.00 H new ATOM 248 N ARG A 21 -9.463 -12.414 -1.431 1.00 0.00 N ATOM 249 CA ARG A 21 -9.190 -13.843 -1.349 1.00 0.00 C ATOM 250 C ARG A 21 -7.692 -14.117 -1.435 1.00 0.00 C ATOM 251 O ARG A 21 -7.196 -15.096 -0.876 1.00 0.00 O ATOM 252 CB ARG A 21 -9.921 -14.589 -2.467 1.00 0.00 C ATOM 253 CG ARG A 21 -9.061 -14.840 -3.694 1.00 0.00 C ATOM 254 CD ARG A 21 -9.894 -15.339 -4.865 1.00 0.00 C ATOM 255 NE ARG A 21 -9.085 -15.547 -6.063 1.00 0.00 N ATOM 256 CZ ARG A 21 -8.203 -16.532 -6.193 1.00 0.00 C ATOM 257 NH1 ARG A 21 -8.019 -17.396 -5.205 1.00 0.00 N ATOM 258 NH2 ARG A 21 -7.505 -16.655 -7.315 1.00 0.00 N ATOM 0 H ARG A 21 -10.035 -12.139 -2.229 1.00 0.00 H new ATOM 0 HA ARG A 21 -9.552 -14.201 -0.385 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -10.278 -15.544 -2.082 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -10.800 -14.015 -2.761 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -8.550 -13.920 -3.976 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -8.290 -15.573 -3.456 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -10.382 -16.274 -4.590 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -10.683 -14.619 -5.081 1.00 0.00 H new ATOM 0 HE ARG A 21 -9.204 -14.900 -6.843 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -8.555 -17.306 -4.342 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -7.341 -18.151 -5.308 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -7.646 -15.993 -8.078 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -6.828 -17.411 -7.414 1.00 0.00 H new ATOM 272 N ARG A 22 -6.976 -13.247 -2.139 1.00 0.00 N ATOM 273 CA ARG A 22 -5.535 -13.396 -2.301 1.00 0.00 C ATOM 274 C ARG A 22 -4.792 -12.851 -1.084 1.00 0.00 C ATOM 275 O ARG A 22 -3.885 -13.496 -0.558 1.00 0.00 O ATOM 276 CB ARG A 22 -5.064 -12.673 -3.564 1.00 0.00 C ATOM 277 CG ARG A 22 -5.125 -13.533 -4.816 1.00 0.00 C ATOM 278 CD ARG A 22 -4.299 -12.934 -5.944 1.00 0.00 C ATOM 279 NE ARG A 22 -4.121 -13.872 -7.049 1.00 0.00 N ATOM 280 CZ ARG A 22 -3.481 -13.570 -8.173 1.00 0.00 C ATOM 281 NH1 ARG A 22 -2.959 -12.362 -8.339 1.00 0.00 N ATOM 282 NH2 ARG A 22 -3.360 -14.477 -9.134 1.00 0.00 N ATOM 0 H ARG A 22 -7.371 -12.431 -2.607 1.00 0.00 H new ATOM 0 HA ARG A 22 -5.314 -14.459 -2.395 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -5.677 -11.784 -3.714 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -4.039 -12.332 -3.417 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -4.760 -14.535 -4.589 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -6.161 -13.636 -5.138 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -4.787 -12.031 -6.310 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -3.323 -12.636 -5.560 1.00 0.00 H new ATOM 0 HE ARG A 22 -4.509 -14.810 -6.952 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -3.049 -11.662 -7.602 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -2.468 -12.133 -9.203 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -3.759 -15.408 -9.010 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -2.868 -14.244 -9.997 1.00 0.00 H new ATOM 296 N ILE A 23 -5.184 -11.661 -0.642 1.00 0.00 N ATOM 297 CA ILE A 23 -4.556 -11.030 0.512 1.00 0.00 C ATOM 298 C ILE A 23 -4.511 -11.983 1.702 1.00 0.00 C ATOM 299 O ILE A 23 -3.467 -12.160 2.329 1.00 0.00 O ATOM 300 CB ILE A 23 -5.299 -9.745 0.925 1.00 0.00 C ATOM 301 CG1 ILE A 23 -5.128 -8.665 -0.145 1.00 0.00 C ATOM 302 CG2 ILE A 23 -4.791 -9.250 2.271 1.00 0.00 C ATOM 303 CD1 ILE A 23 -5.863 -7.381 0.170 1.00 0.00 C ATOM 0 H ILE A 23 -5.934 -11.114 -1.066 1.00 0.00 H new ATOM 0 HA ILE A 23 -3.539 -10.772 0.217 1.00 0.00 H new ATOM 0 HB ILE A 23 -6.361 -9.971 1.020 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -4.067 -8.447 -0.263 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -5.482 -9.052 -1.100 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -5.325 -8.342 2.550 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -4.959 -10.016 3.028 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -3.724 -9.037 2.201 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -5.697 -6.661 -0.631 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -6.930 -7.585 0.259 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -5.492 -6.971 1.109 1.00 0.00 H new ATOM 315 N ARG A 24 -5.651 -12.595 2.006 1.00 0.00 N ATOM 316 CA ARG A 24 -5.742 -13.531 3.120 1.00 0.00 C ATOM 317 C ARG A 24 -5.001 -14.827 2.804 1.00 0.00 C ATOM 318 O ARG A 24 -4.511 -15.509 3.703 1.00 0.00 O ATOM 319 CB ARG A 24 -7.206 -13.833 3.442 1.00 0.00 C ATOM 320 CG ARG A 24 -8.018 -14.269 2.233 1.00 0.00 C ATOM 321 CD ARG A 24 -9.451 -13.766 2.314 1.00 0.00 C ATOM 322 NE ARG A 24 -10.395 -14.845 2.594 1.00 0.00 N ATOM 323 CZ ARG A 24 -10.733 -15.225 3.821 1.00 0.00 C ATOM 324 NH1 ARG A 24 -10.208 -14.617 4.875 1.00 0.00 N ATOM 325 NH2 ARG A 24 -11.599 -16.216 3.995 1.00 0.00 N ATOM 0 H ARG A 24 -6.524 -12.459 1.496 1.00 0.00 H new ATOM 0 HA ARG A 24 -5.274 -13.069 3.989 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -7.249 -14.616 4.199 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -7.665 -12.944 3.876 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -7.550 -13.892 1.324 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -8.016 -15.357 2.165 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -9.525 -13.008 3.094 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -9.720 -13.284 1.374 1.00 0.00 H new ATOM 0 HE ARG A 24 -10.818 -15.333 1.804 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -9.542 -13.855 4.745 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -10.469 -14.911 5.816 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -12.005 -16.686 3.186 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -11.858 -16.507 4.938 1.00 0.00 H new ATOM 339 N ASN A 25 -4.926 -15.160 1.519 1.00 0.00 N ATOM 340 CA ASN A 25 -4.246 -16.375 1.084 1.00 0.00 C ATOM 341 C ASN A 25 -2.878 -16.051 0.492 1.00 0.00 C ATOM 342 O ASN A 25 -2.290 -16.865 -0.221 1.00 0.00 O ATOM 343 CB ASN A 25 -5.098 -17.119 0.053 1.00 0.00 C ATOM 344 CG ASN A 25 -6.281 -17.828 0.683 1.00 0.00 C ATOM 345 OD1 ASN A 25 -6.197 -19.003 1.039 1.00 0.00 O ATOM 346 ND2 ASN A 25 -7.392 -17.114 0.823 1.00 0.00 N ATOM 0 H ASN A 25 -5.327 -14.606 0.762 1.00 0.00 H new ATOM 0 HA ASN A 25 -4.102 -17.013 1.956 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -5.458 -16.412 -0.695 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -4.478 -17.847 -0.469 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -8.221 -17.537 1.240 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -7.416 -16.142 0.513 1.00 0.00 H new ATOM 353 N SER A 26 -2.377 -14.857 0.792 1.00 0.00 N ATOM 354 CA SER A 26 -1.080 -14.423 0.287 1.00 0.00 C ATOM 355 C SER A 26 0.053 -15.021 1.116 1.00 0.00 C ATOM 356 O SER A 26 -0.149 -15.436 2.257 1.00 0.00 O ATOM 357 CB SER A 26 -0.987 -12.897 0.303 1.00 0.00 C ATOM 358 OG SER A 26 -0.868 -12.406 1.627 1.00 0.00 O ATOM 0 H SER A 26 -2.850 -14.173 1.382 1.00 0.00 H new ATOM 0 HA SER A 26 -0.982 -14.775 -0.740 1.00 0.00 H new ATOM 0 HB2 SER A 26 -0.128 -12.576 -0.286 1.00 0.00 H new ATOM 0 HB3 SER A 26 -1.873 -12.471 -0.168 1.00 0.00 H new ATOM 0 HG SER A 26 -1.756 -12.178 1.972 1.00 0.00 H new ATOM 364 N LYS A 27 1.246 -15.062 0.533 1.00 0.00 N ATOM 365 CA LYS A 27 2.414 -15.608 1.215 1.00 0.00 C ATOM 366 C LYS A 27 3.467 -14.528 1.438 1.00 0.00 C ATOM 367 O LYS A 27 4.485 -14.766 2.089 1.00 0.00 O ATOM 368 CB LYS A 27 3.012 -16.760 0.404 1.00 0.00 C ATOM 369 CG LYS A 27 1.977 -17.572 -0.354 1.00 0.00 C ATOM 370 CD LYS A 27 2.597 -18.306 -1.531 1.00 0.00 C ATOM 371 CE LYS A 27 1.553 -18.663 -2.578 1.00 0.00 C ATOM 372 NZ LYS A 27 1.046 -17.457 -3.289 1.00 0.00 N ATOM 0 H LYS A 27 1.430 -14.723 -0.411 1.00 0.00 H new ATOM 0 HA LYS A 27 2.094 -15.985 2.186 1.00 0.00 H new ATOM 0 HB2 LYS A 27 3.735 -16.357 -0.305 1.00 0.00 H new ATOM 0 HB3 LYS A 27 3.559 -17.421 1.076 1.00 0.00 H new ATOM 0 HG2 LYS A 27 1.512 -18.291 0.320 1.00 0.00 H new ATOM 0 HG3 LYS A 27 1.186 -16.912 -0.711 1.00 0.00 H new ATOM 0 HD2 LYS A 27 3.369 -17.684 -1.983 1.00 0.00 H new ATOM 0 HD3 LYS A 27 3.085 -19.214 -1.178 1.00 0.00 H new ATOM 0 HE2 LYS A 27 1.985 -19.356 -3.300 1.00 0.00 H new ATOM 0 HE3 LYS A 27 0.721 -19.179 -2.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 0.599 -17.744 -4.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 0.346 -16.971 -2.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 1.838 -16.813 -3.488 1.00 0.00 H new ATOM 386 N ASP A 28 3.216 -13.342 0.896 1.00 0.00 N ATOM 387 CA ASP A 28 4.142 -12.224 1.039 1.00 0.00 C ATOM 388 C ASP A 28 3.494 -10.920 0.583 1.00 0.00 C ATOM 389 O ASP A 28 2.592 -10.923 -0.254 1.00 0.00 O ATOM 390 CB ASP A 28 5.416 -12.484 0.234 1.00 0.00 C ATOM 391 CG ASP A 28 6.475 -13.206 1.043 1.00 0.00 C ATOM 392 OD1 ASP A 28 6.992 -12.610 2.011 1.00 0.00 O ATOM 393 OD2 ASP A 28 6.787 -14.368 0.709 1.00 0.00 O ATOM 0 H ASP A 28 2.379 -13.129 0.353 1.00 0.00 H new ATOM 0 HA ASP A 28 4.401 -12.131 2.094 1.00 0.00 H new ATOM 0 HB2 ASP A 28 5.171 -13.076 -0.648 1.00 0.00 H new ATOM 0 HB3 ASP A 28 5.818 -11.535 -0.121 1.00 0.00 H new ATOM 398 N SER A 29 3.961 -9.807 1.140 1.00 0.00 N ATOM 399 CA SER A 29 3.424 -8.496 0.794 1.00 0.00 C ATOM 400 C SER A 29 3.390 -8.305 -0.719 1.00 0.00 C ATOM 401 O SER A 29 2.463 -7.701 -1.259 1.00 0.00 O ATOM 402 CB SER A 29 4.263 -7.392 1.440 1.00 0.00 C ATOM 403 OG SER A 29 5.633 -7.532 1.109 1.00 0.00 O ATOM 0 H SER A 29 4.710 -9.787 1.832 1.00 0.00 H new ATOM 0 HA SER A 29 2.404 -8.437 1.173 1.00 0.00 H new ATOM 0 HB2 SER A 29 3.904 -6.417 1.109 1.00 0.00 H new ATOM 0 HB3 SER A 29 4.142 -7.426 2.523 1.00 0.00 H new ATOM 0 HG SER A 29 6.149 -7.711 1.922 1.00 0.00 H new ATOM 409 N TRP A 30 4.407 -8.824 -1.398 1.00 0.00 N ATOM 410 CA TRP A 30 4.494 -8.711 -2.849 1.00 0.00 C ATOM 411 C TRP A 30 3.194 -9.156 -3.509 1.00 0.00 C ATOM 412 O TRP A 30 2.687 -8.491 -4.412 1.00 0.00 O ATOM 413 CB TRP A 30 5.661 -9.548 -3.377 1.00 0.00 C ATOM 414 CG TRP A 30 6.913 -9.401 -2.566 1.00 0.00 C ATOM 415 CD1 TRP A 30 7.636 -10.404 -1.986 1.00 0.00 C ATOM 416 CD2 TRP A 30 7.586 -8.179 -2.245 1.00 0.00 C ATOM 417 NE1 TRP A 30 8.719 -9.879 -1.323 1.00 0.00 N ATOM 418 CE2 TRP A 30 8.712 -8.516 -1.467 1.00 0.00 C ATOM 419 CE3 TRP A 30 7.350 -6.834 -2.539 1.00 0.00 C ATOM 420 CZ2 TRP A 30 9.595 -7.556 -0.982 1.00 0.00 C ATOM 421 CZ3 TRP A 30 8.228 -5.882 -2.056 1.00 0.00 C ATOM 422 CH2 TRP A 30 9.339 -6.247 -1.285 1.00 0.00 C ATOM 0 H TRP A 30 5.183 -9.327 -0.967 1.00 0.00 H new ATOM 0 HA TRP A 30 4.665 -7.664 -3.097 1.00 0.00 H new ATOM 0 HB2 TRP A 30 5.368 -10.598 -3.392 1.00 0.00 H new ATOM 0 HB3 TRP A 30 5.868 -9.260 -4.408 1.00 0.00 H new ATOM 0 HD1 TRP A 30 7.392 -11.455 -2.040 1.00 0.00 H new ATOM 0 HE1 TRP A 30 9.416 -10.417 -0.807 1.00 0.00 H new ATOM 0 HE3 TRP A 30 6.496 -6.543 -3.133 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 10.452 -7.835 -0.387 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 8.054 -4.839 -2.277 1.00 0.00 H new ATOM 0 HH2 TRP A 30 10.007 -5.480 -0.923 1.00 0.00 H new ATOM 433 N ASP A 31 2.659 -10.283 -3.053 1.00 0.00 N ATOM 434 CA ASP A 31 1.416 -10.815 -3.599 1.00 0.00 C ATOM 435 C ASP A 31 0.251 -9.870 -3.319 1.00 0.00 C ATOM 436 O ASP A 31 -0.532 -9.553 -4.214 1.00 0.00 O ATOM 437 CB ASP A 31 1.123 -12.194 -3.006 1.00 0.00 C ATOM 438 CG ASP A 31 0.290 -13.058 -3.933 1.00 0.00 C ATOM 439 OD1 ASP A 31 -0.860 -12.672 -4.228 1.00 0.00 O ATOM 440 OD2 ASP A 31 0.788 -14.119 -4.363 1.00 0.00 O ATOM 0 H ASP A 31 3.067 -10.846 -2.306 1.00 0.00 H new ATOM 0 HA ASP A 31 1.533 -10.909 -4.679 1.00 0.00 H new ATOM 0 HB2 ASP A 31 2.064 -12.700 -2.790 1.00 0.00 H new ATOM 0 HB3 ASP A 31 0.600 -12.075 -2.057 1.00 0.00 H new ATOM 445 N MET A 32 0.143 -9.426 -2.072 1.00 0.00 N ATOM 446 CA MET A 32 -0.927 -8.517 -1.675 1.00 0.00 C ATOM 447 C MET A 32 -0.961 -7.290 -2.580 1.00 0.00 C ATOM 448 O MET A 32 -1.925 -7.078 -3.318 1.00 0.00 O ATOM 449 CB MET A 32 -0.744 -8.085 -0.218 1.00 0.00 C ATOM 450 CG MET A 32 -1.345 -9.058 0.783 1.00 0.00 C ATOM 451 SD MET A 32 -1.003 -8.595 2.492 1.00 0.00 S ATOM 452 CE MET A 32 0.345 -9.708 2.881 1.00 0.00 C ATOM 0 H MET A 32 0.782 -9.680 -1.319 1.00 0.00 H new ATOM 0 HA MET A 32 -1.875 -9.046 -1.774 1.00 0.00 H new ATOM 0 HB2 MET A 32 0.320 -7.974 -0.011 1.00 0.00 H new ATOM 0 HB3 MET A 32 -1.199 -7.105 -0.078 1.00 0.00 H new ATOM 0 HG2 MET A 32 -2.423 -9.108 0.633 1.00 0.00 H new ATOM 0 HG3 MET A 32 -0.951 -10.057 0.595 1.00 0.00 H new ATOM 0 HE1 MET A 32 1.046 -9.210 3.550 1.00 0.00 H new ATOM 0 HE2 MET A 32 -0.049 -10.601 3.367 1.00 0.00 H new ATOM 0 HE3 MET A 32 0.859 -9.992 1.963 1.00 0.00 H new ATOM 462 N LEU A 33 0.094 -6.485 -2.519 1.00 0.00 N ATOM 463 CA LEU A 33 0.184 -5.278 -3.334 1.00 0.00 C ATOM 464 C LEU A 33 0.223 -5.626 -4.819 1.00 0.00 C ATOM 465 O LEU A 33 -0.221 -4.846 -5.661 1.00 0.00 O ATOM 466 CB LEU A 33 1.428 -4.474 -2.954 1.00 0.00 C ATOM 467 CG LEU A 33 1.588 -4.148 -1.468 1.00 0.00 C ATOM 468 CD1 LEU A 33 2.913 -3.446 -1.216 1.00 0.00 C ATOM 469 CD2 LEU A 33 0.428 -3.291 -0.983 1.00 0.00 C ATOM 0 H LEU A 33 0.899 -6.646 -1.914 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.703 -4.674 -3.144 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.308 -5.028 -3.281 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.415 -3.538 -3.512 1.00 0.00 H new ATOM 0 HG LEU A 33 1.583 -5.083 -0.907 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.010 -3.222 -0.154 1.00 0.00 H new ATOM 0 HD12 LEU A 33 3.733 -4.094 -1.526 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.948 -2.518 -1.787 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.558 -3.069 0.076 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.402 -2.360 -1.549 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.508 -3.830 -1.128 1.00 0.00 H new ATOM 481 N GLY A 34 0.756 -6.803 -5.132 1.00 0.00 N ATOM 482 CA GLY A 34 0.842 -7.233 -6.516 1.00 0.00 C ATOM 483 C GLY A 34 2.063 -6.678 -7.222 1.00 0.00 C ATOM 484 O GLY A 34 1.999 -6.318 -8.397 1.00 0.00 O ATOM 0 H GLY A 34 1.130 -7.466 -4.453 1.00 0.00 H new ATOM 0 HA2 GLY A 34 0.868 -8.322 -6.554 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -0.056 -6.917 -7.048 1.00 0.00 H new ATOM 488 N VAL A 35 3.178 -6.605 -6.503 1.00 0.00 N ATOM 489 CA VAL A 35 4.419 -6.089 -7.067 1.00 0.00 C ATOM 490 C VAL A 35 5.561 -7.083 -6.888 1.00 0.00 C ATOM 491 O VAL A 35 5.397 -8.125 -6.253 1.00 0.00 O ATOM 492 CB VAL A 35 4.815 -4.748 -6.420 1.00 0.00 C ATOM 493 CG1 VAL A 35 3.842 -3.651 -6.826 1.00 0.00 C ATOM 494 CG2 VAL A 35 4.876 -4.885 -4.906 1.00 0.00 C ATOM 0 H VAL A 35 3.247 -6.897 -5.528 1.00 0.00 H new ATOM 0 HA VAL A 35 4.241 -5.933 -8.131 1.00 0.00 H new ATOM 0 HB VAL A 35 5.807 -4.471 -6.777 1.00 0.00 H new ATOM 0 HG11 VAL A 35 4.138 -2.711 -6.359 1.00 0.00 H new ATOM 0 HG12 VAL A 35 3.854 -3.537 -7.910 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.837 -3.917 -6.500 1.00 0.00 H new ATOM 0 HG21 VAL A 35 5.157 -3.929 -4.465 1.00 0.00 H new ATOM 0 HG22 VAL A 35 3.899 -5.185 -4.528 1.00 0.00 H new ATOM 0 HG23 VAL A 35 5.616 -5.639 -4.638 1.00 0.00 H new ATOM 504 N LYS A 36 6.718 -6.755 -7.452 1.00 0.00 N ATOM 505 CA LYS A 36 7.890 -7.618 -7.354 1.00 0.00 C ATOM 506 C LYS A 36 8.693 -7.304 -6.096 1.00 0.00 C ATOM 507 O LYS A 36 8.677 -6.185 -5.584 1.00 0.00 O ATOM 508 CB LYS A 36 8.775 -7.454 -8.592 1.00 0.00 C ATOM 509 CG LYS A 36 9.552 -6.149 -8.614 1.00 0.00 C ATOM 510 CD LYS A 36 8.837 -5.088 -9.433 1.00 0.00 C ATOM 511 CE LYS A 36 9.297 -5.098 -10.883 1.00 0.00 C ATOM 512 NZ LYS A 36 8.605 -6.151 -11.677 1.00 0.00 N ATOM 0 H LYS A 36 6.870 -5.897 -7.982 1.00 0.00 H new ATOM 0 HA LYS A 36 7.546 -8.651 -7.296 1.00 0.00 H new ATOM 0 HB2 LYS A 36 9.477 -8.286 -8.639 1.00 0.00 H new ATOM 0 HB3 LYS A 36 8.152 -7.511 -9.484 1.00 0.00 H new ATOM 0 HG2 LYS A 36 9.691 -5.790 -7.594 1.00 0.00 H new ATOM 0 HG3 LYS A 36 10.545 -6.323 -9.029 1.00 0.00 H new ATOM 0 HD2 LYS A 36 7.761 -5.258 -9.390 1.00 0.00 H new ATOM 0 HD3 LYS A 36 9.022 -4.106 -8.998 1.00 0.00 H new ATOM 0 HE2 LYS A 36 9.108 -4.122 -11.331 1.00 0.00 H new ATOM 0 HE3 LYS A 36 10.374 -5.263 -10.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 8.745 -5.969 -12.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 8.998 -7.083 -11.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 7.588 -6.137 -11.460 1.00 0.00 H new ATOM 526 N PRO A 37 9.414 -8.314 -5.586 1.00 0.00 N ATOM 527 CA PRO A 37 10.238 -8.168 -4.383 1.00 0.00 C ATOM 528 C PRO A 37 11.460 -7.287 -4.620 1.00 0.00 C ATOM 529 O PRO A 37 12.298 -7.587 -5.469 1.00 0.00 O ATOM 530 CB PRO A 37 10.668 -9.604 -4.071 1.00 0.00 C ATOM 531 CG PRO A 37 10.609 -10.310 -5.382 1.00 0.00 C ATOM 532 CD PRO A 37 9.479 -9.675 -6.144 1.00 0.00 C ATOM 0 HA PRO A 37 9.692 -7.685 -3.572 1.00 0.00 H new ATOM 0 HB2 PRO A 37 11.673 -9.634 -3.650 1.00 0.00 H new ATOM 0 HB3 PRO A 37 10.003 -10.067 -3.342 1.00 0.00 H new ATOM 0 HG2 PRO A 37 11.550 -10.208 -5.923 1.00 0.00 H new ATOM 0 HG3 PRO A 37 10.435 -11.377 -5.243 1.00 0.00 H new ATOM 0 HD2 PRO A 37 9.675 -9.661 -7.216 1.00 0.00 H new ATOM 0 HD3 PRO A 37 8.543 -10.214 -5.998 1.00 0.00 H new ATOM 540 N GLY A 38 11.554 -6.198 -3.864 1.00 0.00 N ATOM 541 CA GLY A 38 12.677 -5.290 -4.007 1.00 0.00 C ATOM 542 C GLY A 38 12.296 -4.003 -4.712 1.00 0.00 C ATOM 543 O GLY A 38 13.154 -3.173 -5.010 1.00 0.00 O ATOM 0 H GLY A 38 10.872 -5.928 -3.155 1.00 0.00 H new ATOM 0 HA2 GLY A 38 13.078 -5.055 -3.021 1.00 0.00 H new ATOM 0 HA3 GLY A 38 13.472 -5.785 -4.565 1.00 0.00 H new ATOM 547 N ALA A 39 11.005 -3.837 -4.979 1.00 0.00 N ATOM 548 CA ALA A 39 10.512 -2.642 -5.653 1.00 0.00 C ATOM 549 C ALA A 39 10.943 -1.379 -4.916 1.00 0.00 C ATOM 550 O ALA A 39 11.581 -1.449 -3.865 1.00 0.00 O ATOM 551 CB ALA A 39 8.996 -2.693 -5.775 1.00 0.00 C ATOM 0 H ALA A 39 10.282 -4.515 -4.739 1.00 0.00 H new ATOM 0 HA ALA A 39 10.945 -2.613 -6.653 1.00 0.00 H new ATOM 0 HB1 ALA A 39 8.641 -1.795 -6.280 1.00 0.00 H new ATOM 0 HB2 ALA A 39 8.707 -3.572 -6.352 1.00 0.00 H new ATOM 0 HB3 ALA A 39 8.553 -2.749 -4.781 1.00 0.00 H new ATOM 557 N SER A 40 10.591 -0.224 -5.473 1.00 0.00 N ATOM 558 CA SER A 40 10.946 1.055 -4.870 1.00 0.00 C ATOM 559 C SER A 40 9.775 1.624 -4.074 1.00 0.00 C ATOM 560 O SER A 40 8.642 1.158 -4.197 1.00 0.00 O ATOM 561 CB SER A 40 11.374 2.050 -5.950 1.00 0.00 C ATOM 562 OG SER A 40 12.590 1.651 -6.558 1.00 0.00 O ATOM 0 H SER A 40 10.060 -0.148 -6.341 1.00 0.00 H new ATOM 0 HA SER A 40 11.780 0.888 -4.188 1.00 0.00 H new ATOM 0 HB2 SER A 40 10.594 2.128 -6.707 1.00 0.00 H new ATOM 0 HB3 SER A 40 11.491 3.040 -5.510 1.00 0.00 H new ATOM 0 HG SER A 40 12.841 2.302 -7.246 1.00 0.00 H new ATOM 568 N ARG A 41 10.058 2.633 -3.257 1.00 0.00 N ATOM 569 CA ARG A 41 9.030 3.265 -2.438 1.00 0.00 C ATOM 570 C ARG A 41 7.854 3.720 -3.298 1.00 0.00 C ATOM 571 O ARG A 41 6.704 3.688 -2.861 1.00 0.00 O ATOM 572 CB ARG A 41 9.614 4.459 -1.681 1.00 0.00 C ATOM 573 CG ARG A 41 8.604 5.563 -1.413 1.00 0.00 C ATOM 574 CD ARG A 41 8.600 6.597 -2.528 1.00 0.00 C ATOM 575 NE ARG A 41 7.547 7.593 -2.347 1.00 0.00 N ATOM 576 CZ ARG A 41 7.613 8.581 -1.462 1.00 0.00 C ATOM 577 NH1 ARG A 41 8.677 8.705 -0.681 1.00 0.00 N ATOM 578 NH2 ARG A 41 6.614 9.447 -1.357 1.00 0.00 N ATOM 0 H ARG A 41 10.991 3.031 -3.144 1.00 0.00 H new ATOM 0 HA ARG A 41 8.669 2.529 -1.719 1.00 0.00 H new ATOM 0 HB2 ARG A 41 10.021 4.112 -0.731 1.00 0.00 H new ATOM 0 HB3 ARG A 41 10.446 4.870 -2.253 1.00 0.00 H new ATOM 0 HG2 ARG A 41 7.609 5.130 -1.313 1.00 0.00 H new ATOM 0 HG3 ARG A 41 8.837 6.049 -0.466 1.00 0.00 H new ATOM 0 HD2 ARG A 41 9.569 7.096 -2.563 1.00 0.00 H new ATOM 0 HD3 ARG A 41 8.464 6.096 -3.486 1.00 0.00 H new ATOM 0 HE ARG A 41 6.715 7.526 -2.933 1.00 0.00 H new ATOM 0 HH11 ARG A 41 9.447 8.041 -0.759 1.00 0.00 H new ATOM 0 HH12 ARG A 41 8.726 9.465 -0.002 1.00 0.00 H new ATOM 0 HH21 ARG A 41 5.794 9.355 -1.956 1.00 0.00 H new ATOM 0 HH22 ARG A 41 6.666 10.205 -0.677 1.00 0.00 H new ATOM 592 N ASP A 42 8.152 4.143 -4.522 1.00 0.00 N ATOM 593 CA ASP A 42 7.120 4.604 -5.443 1.00 0.00 C ATOM 594 C ASP A 42 6.317 3.429 -5.992 1.00 0.00 C ATOM 595 O ASP A 42 5.099 3.514 -6.141 1.00 0.00 O ATOM 596 CB ASP A 42 7.749 5.390 -6.595 1.00 0.00 C ATOM 597 CG ASP A 42 6.720 5.866 -7.602 1.00 0.00 C ATOM 598 OD1 ASP A 42 5.538 6.004 -7.222 1.00 0.00 O ATOM 599 OD2 ASP A 42 7.097 6.100 -8.769 1.00 0.00 O ATOM 0 H ASP A 42 9.099 4.176 -4.899 1.00 0.00 H new ATOM 0 HA ASP A 42 6.443 5.258 -4.893 1.00 0.00 H new ATOM 0 HB2 ASP A 42 8.285 6.250 -6.194 1.00 0.00 H new ATOM 0 HB3 ASP A 42 8.484 4.763 -7.100 1.00 0.00 H new ATOM 604 N GLU A 43 7.010 2.334 -6.292 1.00 0.00 N ATOM 605 CA GLU A 43 6.360 1.143 -6.826 1.00 0.00 C ATOM 606 C GLU A 43 5.448 0.506 -5.782 1.00 0.00 C ATOM 607 O GLU A 43 4.335 0.079 -6.091 1.00 0.00 O ATOM 608 CB GLU A 43 7.408 0.129 -7.291 1.00 0.00 C ATOM 609 CG GLU A 43 8.106 0.523 -8.582 1.00 0.00 C ATOM 610 CD GLU A 43 8.185 2.025 -8.767 1.00 0.00 C ATOM 611 OE1 GLU A 43 8.929 2.678 -8.006 1.00 0.00 O ATOM 612 OE2 GLU A 43 7.503 2.549 -9.673 1.00 0.00 O ATOM 0 H GLU A 43 8.020 2.248 -6.174 1.00 0.00 H new ATOM 0 HA GLU A 43 5.752 1.444 -7.679 1.00 0.00 H new ATOM 0 HB2 GLU A 43 8.155 0.006 -6.507 1.00 0.00 H new ATOM 0 HB3 GLU A 43 6.928 -0.840 -7.429 1.00 0.00 H new ATOM 0 HG2 GLU A 43 9.113 0.106 -8.588 1.00 0.00 H new ATOM 0 HG3 GLU A 43 7.575 0.084 -9.427 1.00 0.00 H new ATOM 619 N VAL A 44 5.927 0.446 -4.544 1.00 0.00 N ATOM 620 CA VAL A 44 5.155 -0.138 -3.453 1.00 0.00 C ATOM 621 C VAL A 44 3.899 0.678 -3.171 1.00 0.00 C ATOM 622 O VAL A 44 2.842 0.125 -2.872 1.00 0.00 O ATOM 623 CB VAL A 44 5.992 -0.235 -2.163 1.00 0.00 C ATOM 624 CG1 VAL A 44 5.183 -0.883 -1.050 1.00 0.00 C ATOM 625 CG2 VAL A 44 7.277 -1.008 -2.419 1.00 0.00 C ATOM 0 H VAL A 44 6.846 0.795 -4.271 1.00 0.00 H new ATOM 0 HA VAL A 44 4.869 -1.142 -3.768 1.00 0.00 H new ATOM 0 HB VAL A 44 6.259 0.773 -1.846 1.00 0.00 H new ATOM 0 HG11 VAL A 44 5.790 -0.943 -0.147 1.00 0.00 H new ATOM 0 HG12 VAL A 44 4.294 -0.285 -0.851 1.00 0.00 H new ATOM 0 HG13 VAL A 44 4.884 -1.886 -1.354 1.00 0.00 H new ATOM 0 HG21 VAL A 44 7.856 -1.067 -1.497 1.00 0.00 H new ATOM 0 HG22 VAL A 44 7.034 -2.014 -2.760 1.00 0.00 H new ATOM 0 HG23 VAL A 44 7.863 -0.497 -3.183 1.00 0.00 H new ATOM 635 N ASN A 45 4.022 1.998 -3.269 1.00 0.00 N ATOM 636 CA ASN A 45 2.896 2.891 -3.024 1.00 0.00 C ATOM 637 C ASN A 45 1.947 2.911 -4.218 1.00 0.00 C ATOM 638 O ASN A 45 0.731 3.018 -4.058 1.00 0.00 O ATOM 639 CB ASN A 45 3.395 4.307 -2.732 1.00 0.00 C ATOM 640 CG ASN A 45 4.354 4.352 -1.558 1.00 0.00 C ATOM 641 OD1 ASN A 45 4.334 3.477 -0.692 1.00 0.00 O ATOM 642 ND2 ASN A 45 5.201 5.374 -1.524 1.00 0.00 N ATOM 0 H ASN A 45 4.890 2.472 -3.516 1.00 0.00 H new ATOM 0 HA ASN A 45 2.352 2.518 -2.156 1.00 0.00 H new ATOM 0 HB2 ASN A 45 3.891 4.704 -3.618 1.00 0.00 H new ATOM 0 HB3 ASN A 45 2.543 4.954 -2.526 1.00 0.00 H new ATOM 0 HD21 ASN A 45 5.870 5.457 -0.759 1.00 0.00 H new ATOM 0 HD22 ASN A 45 5.182 6.077 -2.263 1.00 0.00 H new ATOM 649 N LYS A 46 2.512 2.805 -5.417 1.00 0.00 N ATOM 650 CA LYS A 46 1.718 2.809 -6.640 1.00 0.00 C ATOM 651 C LYS A 46 0.705 1.668 -6.634 1.00 0.00 C ATOM 652 O LYS A 46 -0.458 1.857 -6.989 1.00 0.00 O ATOM 653 CB LYS A 46 2.629 2.690 -7.864 1.00 0.00 C ATOM 654 CG LYS A 46 1.937 3.032 -9.172 1.00 0.00 C ATOM 655 CD LYS A 46 1.788 4.534 -9.348 1.00 0.00 C ATOM 656 CE LYS A 46 3.031 5.148 -9.974 1.00 0.00 C ATOM 657 NZ LYS A 46 3.110 4.873 -11.435 1.00 0.00 N ATOM 0 H LYS A 46 3.517 2.715 -5.567 1.00 0.00 H new ATOM 0 HA LYS A 46 1.176 3.753 -6.689 1.00 0.00 H new ATOM 0 HB2 LYS A 46 3.487 3.349 -7.733 1.00 0.00 H new ATOM 0 HB3 LYS A 46 3.015 1.672 -7.922 1.00 0.00 H new ATOM 0 HG2 LYS A 46 2.508 2.622 -10.005 1.00 0.00 H new ATOM 0 HG3 LYS A 46 0.954 2.562 -9.198 1.00 0.00 H new ATOM 0 HD2 LYS A 46 0.922 4.744 -9.976 1.00 0.00 H new ATOM 0 HD3 LYS A 46 1.600 4.998 -8.380 1.00 0.00 H new ATOM 0 HE2 LYS A 46 3.027 6.225 -9.807 1.00 0.00 H new ATOM 0 HE3 LYS A 46 3.919 4.752 -9.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 3.871 5.444 -11.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 3.309 3.864 -11.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 2.205 5.119 -11.884 1.00 0.00 H new ATOM 671 N ALA A 47 1.154 0.486 -6.227 1.00 0.00 N ATOM 672 CA ALA A 47 0.286 -0.684 -6.172 1.00 0.00 C ATOM 673 C ALA A 47 -0.646 -0.619 -4.967 1.00 0.00 C ATOM 674 O ALA A 47 -1.808 -1.020 -5.046 1.00 0.00 O ATOM 675 CB ALA A 47 1.117 -1.957 -6.131 1.00 0.00 C ATOM 0 H ALA A 47 2.114 0.313 -5.930 1.00 0.00 H new ATOM 0 HA ALA A 47 -0.327 -0.693 -7.073 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.455 -2.822 -6.090 1.00 0.00 H new ATOM 0 HB2 ALA A 47 1.737 -2.016 -7.026 1.00 0.00 H new ATOM 0 HB3 ALA A 47 1.755 -1.946 -5.248 1.00 0.00 H new ATOM 681 N TYR A 48 -0.130 -0.113 -3.853 1.00 0.00 N ATOM 682 CA TYR A 48 -0.916 0.001 -2.630 1.00 0.00 C ATOM 683 C TYR A 48 -2.105 0.936 -2.831 1.00 0.00 C ATOM 684 O TYR A 48 -3.195 0.692 -2.313 1.00 0.00 O ATOM 685 CB TYR A 48 -0.042 0.511 -1.483 1.00 0.00 C ATOM 686 CG TYR A 48 -0.802 1.315 -0.453 1.00 0.00 C ATOM 687 CD1 TYR A 48 -1.280 2.585 -0.748 1.00 0.00 C ATOM 688 CD2 TYR A 48 -1.044 0.803 0.816 1.00 0.00 C ATOM 689 CE1 TYR A 48 -1.974 3.324 0.190 1.00 0.00 C ATOM 690 CE2 TYR A 48 -1.739 1.534 1.761 1.00 0.00 C ATOM 691 CZ TYR A 48 -2.202 2.793 1.443 1.00 0.00 C ATOM 692 OH TYR A 48 -2.894 3.525 2.380 1.00 0.00 O ATOM 0 H TYR A 48 0.829 0.225 -3.771 1.00 0.00 H new ATOM 0 HA TYR A 48 -1.294 -0.990 -2.378 1.00 0.00 H new ATOM 0 HB2 TYR A 48 0.430 -0.340 -0.991 1.00 0.00 H new ATOM 0 HB3 TYR A 48 0.758 1.126 -1.893 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -1.106 3.002 -1.729 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -0.683 -0.183 1.068 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -2.336 4.311 -0.056 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -1.918 1.121 2.743 1.00 0.00 H new ATOM 0 HH TYR A 48 -3.786 3.138 2.504 1.00 0.00 H new ATOM 702 N ARG A 49 -1.887 2.006 -3.589 1.00 0.00 N ATOM 703 CA ARG A 49 -2.939 2.978 -3.859 1.00 0.00 C ATOM 704 C ARG A 49 -4.077 2.341 -4.651 1.00 0.00 C ATOM 705 O ARG A 49 -5.206 2.245 -4.169 1.00 0.00 O ATOM 706 CB ARG A 49 -2.373 4.172 -4.630 1.00 0.00 C ATOM 707 CG ARG A 49 -1.688 5.200 -3.744 1.00 0.00 C ATOM 708 CD ARG A 49 -1.304 6.444 -4.529 1.00 0.00 C ATOM 709 NE ARG A 49 -2.469 7.251 -4.881 1.00 0.00 N ATOM 710 CZ ARG A 49 -3.059 8.095 -4.041 1.00 0.00 C ATOM 711 NH1 ARG A 49 -2.595 8.241 -2.808 1.00 0.00 N ATOM 712 NH2 ARG A 49 -4.116 8.794 -4.435 1.00 0.00 N ATOM 0 H ARG A 49 -0.991 2.221 -4.027 1.00 0.00 H new ATOM 0 HA ARG A 49 -3.333 3.324 -2.904 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -1.660 3.810 -5.371 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -3.182 4.657 -5.177 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -2.352 5.476 -2.925 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -0.796 4.760 -3.297 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -0.612 7.045 -3.940 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -0.778 6.151 -5.438 1.00 0.00 H new ATOM 0 HE ARG A 49 -2.851 7.162 -5.823 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -1.783 7.705 -2.502 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -3.050 8.890 -2.165 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -4.476 8.684 -5.383 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -4.568 9.442 -3.790 1.00 0.00 H new ATOM 726 N LYS A 50 -3.773 1.907 -5.869 1.00 0.00 N ATOM 727 CA LYS A 50 -4.769 1.278 -6.729 1.00 0.00 C ATOM 728 C LYS A 50 -5.567 0.230 -5.960 1.00 0.00 C ATOM 729 O LYS A 50 -6.790 0.152 -6.084 1.00 0.00 O ATOM 730 CB LYS A 50 -4.092 0.631 -7.940 1.00 0.00 C ATOM 731 CG LYS A 50 -3.235 1.594 -8.744 1.00 0.00 C ATOM 732 CD LYS A 50 -2.370 0.860 -9.754 1.00 0.00 C ATOM 733 CE LYS A 50 -1.659 1.828 -10.687 1.00 0.00 C ATOM 734 NZ LYS A 50 -1.031 1.127 -11.841 1.00 0.00 N ATOM 0 H LYS A 50 -2.844 1.979 -6.284 1.00 0.00 H new ATOM 0 HA LYS A 50 -5.455 2.051 -7.074 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -3.471 -0.197 -7.599 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -4.857 0.208 -8.591 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -3.876 2.307 -9.263 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -2.600 2.168 -8.069 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -1.633 0.251 -9.230 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -2.989 0.179 -10.338 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -2.371 2.567 -11.055 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -0.894 2.371 -10.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -0.557 1.822 -12.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -0.333 0.440 -11.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -1.764 0.629 -12.386 1.00 0.00 H new ATOM 748 N LEU A 51 -4.869 -0.573 -5.165 1.00 0.00 N ATOM 749 CA LEU A 51 -5.514 -1.616 -4.374 1.00 0.00 C ATOM 750 C LEU A 51 -6.417 -1.008 -3.305 1.00 0.00 C ATOM 751 O LEU A 51 -7.606 -1.316 -3.236 1.00 0.00 O ATOM 752 CB LEU A 51 -4.461 -2.511 -3.719 1.00 0.00 C ATOM 753 CG LEU A 51 -4.894 -3.946 -3.416 1.00 0.00 C ATOM 754 CD1 LEU A 51 -5.451 -4.611 -4.666 1.00 0.00 C ATOM 755 CD2 LEU A 51 -3.729 -4.748 -2.857 1.00 0.00 C ATOM 0 H LEU A 51 -3.857 -0.522 -5.051 1.00 0.00 H new ATOM 0 HA LEU A 51 -6.128 -2.218 -5.043 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -3.587 -2.546 -4.370 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -4.145 -2.044 -2.786 1.00 0.00 H new ATOM 0 HG LEU A 51 -5.682 -3.916 -2.664 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -5.754 -5.631 -4.431 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -6.314 -4.049 -5.023 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -4.684 -4.629 -5.441 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -4.056 -5.766 -2.647 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.919 -4.770 -3.586 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.376 -4.283 -1.936 1.00 0.00 H new ATOM 767 N ALA A 52 -5.843 -0.143 -2.475 1.00 0.00 N ATOM 768 CA ALA A 52 -6.597 0.510 -1.412 1.00 0.00 C ATOM 769 C ALA A 52 -7.941 1.016 -1.924 1.00 0.00 C ATOM 770 O ALA A 52 -8.973 0.830 -1.279 1.00 0.00 O ATOM 771 CB ALA A 52 -5.790 1.656 -0.821 1.00 0.00 C ATOM 0 H ALA A 52 -4.859 0.122 -2.518 1.00 0.00 H new ATOM 0 HA ALA A 52 -6.789 -0.226 -0.631 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -6.365 2.135 -0.028 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -4.857 1.270 -0.410 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -5.569 2.385 -1.600 1.00 0.00 H new ATOM 777 N VAL A 53 -7.923 1.658 -3.088 1.00 0.00 N ATOM 778 CA VAL A 53 -9.140 2.191 -3.687 1.00 0.00 C ATOM 779 C VAL A 53 -10.110 1.072 -4.049 1.00 0.00 C ATOM 780 O VAL A 53 -11.327 1.228 -3.933 1.00 0.00 O ATOM 781 CB VAL A 53 -8.830 3.015 -4.951 1.00 0.00 C ATOM 782 CG1 VAL A 53 -10.115 3.538 -5.576 1.00 0.00 C ATOM 783 CG2 VAL A 53 -7.884 4.160 -4.621 1.00 0.00 C ATOM 0 H VAL A 53 -7.078 1.821 -3.635 1.00 0.00 H new ATOM 0 HA VAL A 53 -9.600 2.841 -2.943 1.00 0.00 H new ATOM 0 HB VAL A 53 -8.340 2.366 -5.676 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -9.876 4.118 -6.468 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -10.755 2.699 -5.849 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -10.636 4.173 -4.859 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -7.676 4.732 -5.525 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -8.346 4.811 -3.878 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -6.952 3.759 -4.223 1.00 0.00 H new ATOM 793 N LEU A 54 -9.565 -0.057 -4.487 1.00 0.00 N ATOM 794 CA LEU A 54 -10.381 -1.205 -4.866 1.00 0.00 C ATOM 795 C LEU A 54 -10.905 -1.932 -3.632 1.00 0.00 C ATOM 796 O LEU A 54 -11.988 -2.520 -3.657 1.00 0.00 O ATOM 797 CB LEU A 54 -9.570 -2.169 -5.734 1.00 0.00 C ATOM 798 CG LEU A 54 -10.305 -3.422 -6.212 1.00 0.00 C ATOM 799 CD1 LEU A 54 -11.332 -3.065 -7.276 1.00 0.00 C ATOM 800 CD2 LEU A 54 -9.317 -4.449 -6.746 1.00 0.00 C ATOM 0 H LEU A 54 -8.561 -0.202 -4.589 1.00 0.00 H new ATOM 0 HA LEU A 54 -11.233 -0.840 -5.439 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -9.213 -1.626 -6.609 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -8.690 -2.481 -5.171 1.00 0.00 H new ATOM 0 HG LEU A 54 -10.829 -3.859 -5.362 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -11.845 -3.969 -7.604 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -12.058 -2.366 -6.861 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -10.830 -2.604 -8.126 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -9.858 -5.334 -7.082 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -8.765 -4.022 -7.583 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -8.620 -4.728 -5.956 1.00 0.00 H new ATOM 812 N LEU A 55 -10.133 -1.886 -2.552 1.00 0.00 N ATOM 813 CA LEU A 55 -10.519 -2.538 -1.306 1.00 0.00 C ATOM 814 C LEU A 55 -11.024 -1.518 -0.291 1.00 0.00 C ATOM 815 O LEU A 55 -11.251 -1.845 0.874 1.00 0.00 O ATOM 816 CB LEU A 55 -9.335 -3.311 -0.723 1.00 0.00 C ATOM 817 CG LEU A 55 -8.748 -4.410 -1.610 1.00 0.00 C ATOM 818 CD1 LEU A 55 -7.356 -4.793 -1.135 1.00 0.00 C ATOM 819 CD2 LEU A 55 -9.662 -5.627 -1.627 1.00 0.00 C ATOM 0 H LEU A 55 -9.235 -1.403 -2.514 1.00 0.00 H new ATOM 0 HA LEU A 55 -11.327 -3.235 -1.526 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -8.543 -2.600 -0.488 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -9.649 -3.761 0.219 1.00 0.00 H new ATOM 0 HG LEU A 55 -8.669 -4.026 -2.627 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -6.955 -5.576 -1.778 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -6.704 -3.920 -1.176 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -7.409 -5.158 -0.109 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -9.228 -6.399 -2.263 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -9.774 -6.012 -0.614 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -10.639 -5.343 -2.017 1.00 0.00 H new ATOM 831 N HIS A 56 -11.201 -0.280 -0.742 1.00 0.00 N ATOM 832 CA HIS A 56 -11.682 0.789 0.126 1.00 0.00 C ATOM 833 C HIS A 56 -12.962 0.371 0.843 1.00 0.00 C ATOM 834 O HIS A 56 -13.833 -0.290 0.276 1.00 0.00 O ATOM 835 CB HIS A 56 -11.930 2.061 -0.685 1.00 0.00 C ATOM 836 CG HIS A 56 -11.714 3.321 0.096 1.00 0.00 C ATOM 837 ND1 HIS A 56 -12.742 4.162 0.466 1.00 0.00 N ATOM 838 CD2 HIS A 56 -10.580 3.880 0.579 1.00 0.00 C ATOM 839 CE1 HIS A 56 -12.250 5.185 1.141 1.00 0.00 C ATOM 840 NE2 HIS A 56 -10.940 5.038 1.224 1.00 0.00 N ATOM 0 H HIS A 56 -11.019 0.008 -1.703 1.00 0.00 H new ATOM 0 HA HIS A 56 -10.915 0.989 0.875 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -11.270 2.063 -1.553 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -12.953 2.048 -1.062 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -9.579 3.489 0.476 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -12.822 6.003 1.555 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -10.300 5.680 1.691 1.00 0.00 H new ATOM 848 N PRO A 57 -13.081 0.764 2.120 1.00 0.00 N ATOM 849 CA PRO A 57 -14.251 0.441 2.942 1.00 0.00 C ATOM 850 C PRO A 57 -15.500 1.192 2.493 1.00 0.00 C ATOM 851 O PRO A 57 -16.611 0.667 2.566 1.00 0.00 O ATOM 852 CB PRO A 57 -13.834 0.889 4.345 1.00 0.00 C ATOM 853 CG PRO A 57 -12.810 1.947 4.116 1.00 0.00 C ATOM 854 CD PRO A 57 -12.082 1.554 2.860 1.00 0.00 C ATOM 0 HA PRO A 57 -14.515 -0.615 2.878 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -14.685 1.276 4.906 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -13.424 0.059 4.920 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -13.278 2.925 4.006 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -12.124 2.015 4.960 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -11.759 2.427 2.293 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -11.189 0.969 3.079 1.00 0.00 H new ATOM 862 N ASP A 58 -15.310 2.421 2.028 1.00 0.00 N ATOM 863 CA ASP A 58 -16.422 3.244 1.565 1.00 0.00 C ATOM 864 C ASP A 58 -16.828 2.859 0.146 1.00 0.00 C ATOM 865 O ASP A 58 -17.787 3.401 -0.406 1.00 0.00 O ATOM 866 CB ASP A 58 -16.045 4.725 1.617 1.00 0.00 C ATOM 867 CG ASP A 58 -17.139 5.621 1.069 1.00 0.00 C ATOM 868 OD1 ASP A 58 -18.325 5.340 1.339 1.00 0.00 O ATOM 869 OD2 ASP A 58 -16.808 6.602 0.370 1.00 0.00 O ATOM 0 H ASP A 58 -14.397 2.870 1.961 1.00 0.00 H new ATOM 0 HA ASP A 58 -17.271 3.070 2.227 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -15.831 5.006 2.648 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -15.130 4.884 1.047 1.00 0.00 H new ATOM 874 N LYS A 59 -16.092 1.922 -0.442 1.00 0.00 N ATOM 875 CA LYS A 59 -16.374 1.463 -1.797 1.00 0.00 C ATOM 876 C LYS A 59 -16.729 -0.020 -1.806 1.00 0.00 C ATOM 877 O LYS A 59 -17.527 -0.472 -2.628 1.00 0.00 O ATOM 878 CB LYS A 59 -15.169 1.717 -2.704 1.00 0.00 C ATOM 879 CG LYS A 59 -14.858 3.190 -2.905 1.00 0.00 C ATOM 880 CD LYS A 59 -13.900 3.404 -4.065 1.00 0.00 C ATOM 881 CE LYS A 59 -13.843 4.867 -4.478 1.00 0.00 C ATOM 882 NZ LYS A 59 -15.144 5.338 -5.031 1.00 0.00 N ATOM 0 H LYS A 59 -15.294 1.465 -0.000 1.00 0.00 H new ATOM 0 HA LYS A 59 -17.229 2.024 -2.174 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -14.295 1.225 -2.279 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -15.353 1.257 -3.675 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -15.783 3.736 -3.090 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -14.424 3.599 -1.993 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -12.903 3.066 -3.782 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -14.214 2.797 -4.914 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -13.572 5.477 -3.617 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -13.060 5.004 -5.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -14.992 6.204 -5.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -15.548 4.601 -5.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -15.801 5.538 -4.250 1.00 0.00 H new ATOM 896 N CYS A 60 -16.131 -0.772 -0.889 1.00 0.00 N ATOM 897 CA CYS A 60 -16.385 -2.205 -0.792 1.00 0.00 C ATOM 898 C CYS A 60 -16.920 -2.571 0.589 1.00 0.00 C ATOM 899 O CYS A 60 -16.174 -2.602 1.567 1.00 0.00 O ATOM 900 CB CYS A 60 -15.105 -2.991 -1.080 1.00 0.00 C ATOM 901 SG CYS A 60 -15.381 -4.734 -1.475 1.00 0.00 S ATOM 0 H CYS A 60 -15.467 -0.414 -0.202 1.00 0.00 H new ATOM 0 HA CYS A 60 -17.139 -2.466 -1.535 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -14.582 -2.520 -1.912 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -14.449 -2.926 -0.212 1.00 0.00 H new ATOM 0 HG CYS A 60 -14.242 -5.360 -1.497 1.00 0.00 H new ATOM 907 N VAL A 61 -18.219 -2.845 0.660 1.00 0.00 N ATOM 908 CA VAL A 61 -18.855 -3.207 1.921 1.00 0.00 C ATOM 909 C VAL A 61 -18.652 -4.686 2.234 1.00 0.00 C ATOM 910 O VAL A 61 -19.242 -5.218 3.173 1.00 0.00 O ATOM 911 CB VAL A 61 -20.365 -2.902 1.896 1.00 0.00 C ATOM 912 CG1 VAL A 61 -20.605 -1.413 1.701 1.00 0.00 C ATOM 913 CG2 VAL A 61 -21.053 -3.710 0.806 1.00 0.00 C ATOM 0 H VAL A 61 -18.851 -2.823 -0.140 1.00 0.00 H new ATOM 0 HA VAL A 61 -18.383 -2.606 2.698 1.00 0.00 H new ATOM 0 HB VAL A 61 -20.794 -3.192 2.855 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -21.677 -1.216 1.686 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -20.146 -0.860 2.521 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -20.164 -1.094 0.757 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -22.119 -3.482 0.802 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -20.624 -3.454 -0.163 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -20.910 -4.774 0.996 1.00 0.00 H new ATOM 923 N ALA A 62 -17.812 -5.343 1.441 1.00 0.00 N ATOM 924 CA ALA A 62 -17.528 -6.759 1.636 1.00 0.00 C ATOM 925 C ALA A 62 -17.056 -7.034 3.059 1.00 0.00 C ATOM 926 O ALA A 62 -16.505 -6.165 3.735 1.00 0.00 O ATOM 927 CB ALA A 62 -16.486 -7.231 0.632 1.00 0.00 C ATOM 0 H ALA A 62 -17.316 -4.917 0.658 1.00 0.00 H new ATOM 0 HA ALA A 62 -18.452 -7.315 1.474 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -16.283 -8.290 0.789 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -16.861 -7.079 -0.380 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -15.566 -6.662 0.767 1.00 0.00 H new ATOM 933 N PRO A 63 -17.277 -8.272 3.528 1.00 0.00 N ATOM 934 CA PRO A 63 -16.882 -8.690 4.876 1.00 0.00 C ATOM 935 C PRO A 63 -15.369 -8.795 5.030 1.00 0.00 C ATOM 936 O PRO A 63 -14.841 -8.720 6.139 1.00 0.00 O ATOM 937 CB PRO A 63 -17.532 -10.068 5.025 1.00 0.00 C ATOM 938 CG PRO A 63 -17.677 -10.571 3.630 1.00 0.00 C ATOM 939 CD PRO A 63 -17.928 -9.358 2.777 1.00 0.00 C ATOM 0 HA PRO A 63 -17.195 -7.972 5.634 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -16.912 -10.735 5.624 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -18.499 -9.998 5.523 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -16.777 -11.095 3.308 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -18.502 -11.279 3.554 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -17.499 -9.471 1.781 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -18.994 -9.173 2.646 1.00 0.00 H new ATOM 947 N GLY A 64 -14.675 -8.971 3.910 1.00 0.00 N ATOM 948 CA GLY A 64 -13.228 -9.083 3.943 1.00 0.00 C ATOM 949 C GLY A 64 -12.537 -7.807 3.507 1.00 0.00 C ATOM 950 O GLY A 64 -11.414 -7.527 3.927 1.00 0.00 O ATOM 0 H GLY A 64 -15.089 -9.038 2.980 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -12.910 -9.338 4.954 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -12.915 -9.901 3.295 1.00 0.00 H new ATOM 954 N SER A 65 -13.208 -7.031 2.662 1.00 0.00 N ATOM 955 CA SER A 65 -12.649 -5.779 2.165 1.00 0.00 C ATOM 956 C SER A 65 -11.881 -5.052 3.265 1.00 0.00 C ATOM 957 O SER A 65 -10.750 -4.614 3.060 1.00 0.00 O ATOM 958 CB SER A 65 -13.761 -4.879 1.624 1.00 0.00 C ATOM 959 OG SER A 65 -14.612 -4.435 2.667 1.00 0.00 O ATOM 0 H SER A 65 -14.140 -7.247 2.307 1.00 0.00 H new ATOM 0 HA SER A 65 -11.956 -6.015 1.357 1.00 0.00 H new ATOM 0 HB2 SER A 65 -13.323 -4.019 1.117 1.00 0.00 H new ATOM 0 HB3 SER A 65 -14.344 -5.423 0.881 1.00 0.00 H new ATOM 0 HG SER A 65 -15.059 -3.607 2.394 1.00 0.00 H new ATOM 965 N GLU A 66 -12.506 -4.929 4.432 1.00 0.00 N ATOM 966 CA GLU A 66 -11.882 -4.254 5.564 1.00 0.00 C ATOM 967 C GLU A 66 -10.532 -4.884 5.896 1.00 0.00 C ATOM 968 O GLU A 66 -9.510 -4.199 5.939 1.00 0.00 O ATOM 969 CB GLU A 66 -12.798 -4.311 6.788 1.00 0.00 C ATOM 970 CG GLU A 66 -12.189 -3.689 8.034 1.00 0.00 C ATOM 971 CD GLU A 66 -12.444 -2.196 8.123 1.00 0.00 C ATOM 972 OE1 GLU A 66 -11.917 -1.453 7.269 1.00 0.00 O ATOM 973 OE2 GLU A 66 -13.168 -1.772 9.047 1.00 0.00 O ATOM 0 H GLU A 66 -13.443 -5.287 4.618 1.00 0.00 H new ATOM 0 HA GLU A 66 -11.720 -3.212 5.289 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -13.732 -3.799 6.556 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -13.048 -5.351 6.996 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -12.600 -4.178 8.918 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -11.114 -3.872 8.039 1.00 0.00 H new ATOM 980 N ASP A 67 -10.537 -6.192 6.129 1.00 0.00 N ATOM 981 CA ASP A 67 -9.314 -6.915 6.456 1.00 0.00 C ATOM 982 C ASP A 67 -8.294 -6.796 5.328 1.00 0.00 C ATOM 983 O ASP A 67 -7.090 -6.715 5.572 1.00 0.00 O ATOM 984 CB ASP A 67 -9.624 -8.388 6.727 1.00 0.00 C ATOM 985 CG ASP A 67 -10.515 -8.579 7.938 1.00 0.00 C ATOM 986 OD1 ASP A 67 -11.536 -7.866 8.043 1.00 0.00 O ATOM 987 OD2 ASP A 67 -10.193 -9.442 8.781 1.00 0.00 O ATOM 0 H ASP A 67 -11.375 -6.773 6.097 1.00 0.00 H new ATOM 0 HA ASP A 67 -8.888 -6.470 7.355 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -10.108 -8.821 5.852 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -8.691 -8.931 6.877 1.00 0.00 H new ATOM 992 N ALA A 68 -8.784 -6.786 4.093 1.00 0.00 N ATOM 993 CA ALA A 68 -7.915 -6.676 2.928 1.00 0.00 C ATOM 994 C ALA A 68 -7.037 -5.432 3.013 1.00 0.00 C ATOM 995 O ALA A 68 -5.816 -5.512 2.875 1.00 0.00 O ATOM 996 CB ALA A 68 -8.744 -6.651 1.652 1.00 0.00 C ATOM 0 H ALA A 68 -9.778 -6.853 3.873 1.00 0.00 H new ATOM 0 HA ALA A 68 -7.263 -7.549 2.909 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -8.082 -6.569 0.790 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -9.325 -7.570 1.577 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -9.420 -5.796 1.674 1.00 0.00 H new ATOM 1002 N PHE A 69 -7.665 -4.284 3.241 1.00 0.00 N ATOM 1003 CA PHE A 69 -6.940 -3.023 3.344 1.00 0.00 C ATOM 1004 C PHE A 69 -5.925 -3.069 4.482 1.00 0.00 C ATOM 1005 O PHE A 69 -4.764 -2.699 4.310 1.00 0.00 O ATOM 1006 CB PHE A 69 -7.917 -1.865 3.563 1.00 0.00 C ATOM 1007 CG PHE A 69 -7.319 -0.516 3.283 1.00 0.00 C ATOM 1008 CD1 PHE A 69 -6.210 -0.075 3.987 1.00 0.00 C ATOM 1009 CD2 PHE A 69 -7.867 0.312 2.317 1.00 0.00 C ATOM 1010 CE1 PHE A 69 -5.659 1.166 3.732 1.00 0.00 C ATOM 1011 CE2 PHE A 69 -7.320 1.555 2.057 1.00 0.00 C ATOM 1012 CZ PHE A 69 -6.214 1.982 2.765 1.00 0.00 C ATOM 0 H PHE A 69 -8.675 -4.201 3.358 1.00 0.00 H new ATOM 0 HA PHE A 69 -6.403 -2.865 2.409 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -8.787 -2.008 2.922 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -8.272 -1.890 4.593 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -5.771 -0.709 4.744 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -8.732 -0.017 1.760 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -4.795 1.498 4.288 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -7.757 2.191 1.301 1.00 0.00 H new ATOM 0 HZ PHE A 69 -5.784 2.952 2.563 1.00 0.00 H new ATOM 1022 N LYS A 70 -6.372 -3.527 5.647 1.00 0.00 N ATOM 1023 CA LYS A 70 -5.505 -3.624 6.815 1.00 0.00 C ATOM 1024 C LYS A 70 -4.211 -4.355 6.473 1.00 0.00 C ATOM 1025 O LYS A 70 -3.122 -3.914 6.839 1.00 0.00 O ATOM 1026 CB LYS A 70 -6.227 -4.349 7.953 1.00 0.00 C ATOM 1027 CG LYS A 70 -7.201 -3.467 8.715 1.00 0.00 C ATOM 1028 CD LYS A 70 -8.343 -4.278 9.305 1.00 0.00 C ATOM 1029 CE LYS A 70 -7.852 -5.225 10.389 1.00 0.00 C ATOM 1030 NZ LYS A 70 -7.508 -6.566 9.839 1.00 0.00 N ATOM 0 H LYS A 70 -7.331 -3.837 5.807 1.00 0.00 H new ATOM 0 HA LYS A 70 -5.256 -2.613 7.136 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -6.767 -5.203 7.544 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -5.487 -4.744 8.649 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -6.673 -2.946 9.514 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -7.602 -2.705 8.047 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -9.092 -3.604 9.721 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -8.831 -4.849 8.515 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -6.976 -4.797 10.876 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -8.621 -5.332 11.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -7.391 -7.242 10.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -8.272 -6.890 9.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -6.621 -6.503 9.300 1.00 0.00 H new ATOM 1044 N ALA A 71 -4.338 -5.475 5.767 1.00 0.00 N ATOM 1045 CA ALA A 71 -3.178 -6.264 5.373 1.00 0.00 C ATOM 1046 C ALA A 71 -2.266 -5.473 4.441 1.00 0.00 C ATOM 1047 O ALA A 71 -1.050 -5.434 4.632 1.00 0.00 O ATOM 1048 CB ALA A 71 -3.622 -7.558 4.706 1.00 0.00 C ATOM 0 H ALA A 71 -5.232 -5.855 5.457 1.00 0.00 H new ATOM 0 HA ALA A 71 -2.612 -6.506 6.273 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -2.745 -8.138 4.417 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -4.227 -8.138 5.403 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -4.212 -7.326 3.820 1.00 0.00 H new ATOM 1054 N VAL A 72 -2.860 -4.843 3.433 1.00 0.00 N ATOM 1055 CA VAL A 72 -2.101 -4.052 2.472 1.00 0.00 C ATOM 1056 C VAL A 72 -1.135 -3.107 3.178 1.00 0.00 C ATOM 1057 O VAL A 72 0.048 -3.048 2.844 1.00 0.00 O ATOM 1058 CB VAL A 72 -3.033 -3.230 1.561 1.00 0.00 C ATOM 1059 CG1 VAL A 72 -2.221 -2.373 0.601 1.00 0.00 C ATOM 1060 CG2 VAL A 72 -3.979 -4.146 0.802 1.00 0.00 C ATOM 0 H VAL A 72 -3.865 -4.865 3.261 1.00 0.00 H new ATOM 0 HA VAL A 72 -1.535 -4.755 1.861 1.00 0.00 H new ATOM 0 HB VAL A 72 -3.631 -2.566 2.186 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -2.896 -1.799 -0.034 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -1.589 -1.690 1.169 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -1.596 -3.015 -0.020 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -4.630 -3.549 0.164 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -3.402 -4.836 0.187 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -4.585 -4.711 1.510 1.00 0.00 H new ATOM 1070 N VAL A 73 -1.648 -2.370 4.158 1.00 0.00 N ATOM 1071 CA VAL A 73 -0.831 -1.428 4.914 1.00 0.00 C ATOM 1072 C VAL A 73 0.385 -2.119 5.520 1.00 0.00 C ATOM 1073 O VAL A 73 1.523 -1.724 5.273 1.00 0.00 O ATOM 1074 CB VAL A 73 -1.642 -0.760 6.041 1.00 0.00 C ATOM 1075 CG1 VAL A 73 -0.753 0.156 6.867 1.00 0.00 C ATOM 1076 CG2 VAL A 73 -2.822 0.007 5.464 1.00 0.00 C ATOM 0 H VAL A 73 -2.625 -2.407 4.447 1.00 0.00 H new ATOM 0 HA VAL A 73 -0.499 -0.663 4.212 1.00 0.00 H new ATOM 0 HB VAL A 73 -2.030 -1.539 6.698 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -1.343 0.619 7.658 1.00 0.00 H new ATOM 0 HG12 VAL A 73 0.056 -0.425 7.310 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -0.334 0.931 6.226 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -3.384 0.473 6.273 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -2.458 0.778 4.785 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -3.471 -0.679 4.920 1.00 0.00 H new ATOM 1086 N ASN A 74 0.136 -3.155 6.316 1.00 0.00 N ATOM 1087 CA ASN A 74 1.211 -3.902 6.958 1.00 0.00 C ATOM 1088 C ASN A 74 2.264 -4.325 5.938 1.00 0.00 C ATOM 1089 O ASN A 74 3.442 -4.461 6.267 1.00 0.00 O ATOM 1090 CB ASN A 74 0.650 -5.135 7.669 1.00 0.00 C ATOM 1091 CG ASN A 74 0.212 -4.834 9.089 1.00 0.00 C ATOM 1092 OD1 ASN A 74 0.743 -5.398 10.046 1.00 0.00 O ATOM 1093 ND2 ASN A 74 -0.761 -3.942 9.232 1.00 0.00 N ATOM 0 H ASN A 74 -0.801 -3.496 6.531 1.00 0.00 H new ATOM 0 HA ASN A 74 1.683 -3.250 7.693 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -0.198 -5.522 7.104 1.00 0.00 H new ATOM 0 HB3 ASN A 74 1.407 -5.919 7.684 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -1.097 -3.699 10.164 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -1.172 -3.499 8.410 1.00 0.00 H new ATOM 1100 N ALA A 75 1.831 -4.529 4.698 1.00 0.00 N ATOM 1101 CA ALA A 75 2.736 -4.934 3.630 1.00 0.00 C ATOM 1102 C ALA A 75 3.544 -3.747 3.117 1.00 0.00 C ATOM 1103 O ALA A 75 4.770 -3.723 3.231 1.00 0.00 O ATOM 1104 CB ALA A 75 1.956 -5.575 2.491 1.00 0.00 C ATOM 0 H ALA A 75 0.859 -4.420 4.409 1.00 0.00 H new ATOM 0 HA ALA A 75 3.433 -5.667 4.036 1.00 0.00 H new ATOM 0 HB1 ALA A 75 2.645 -5.872 1.700 1.00 0.00 H new ATOM 0 HB2 ALA A 75 1.427 -6.453 2.861 1.00 0.00 H new ATOM 0 HB3 ALA A 75 1.236 -4.859 2.095 1.00 0.00 H new ATOM 1110 N ARG A 76 2.851 -2.764 2.551 1.00 0.00 N ATOM 1111 CA ARG A 76 3.505 -1.575 2.019 1.00 0.00 C ATOM 1112 C ARG A 76 4.377 -0.912 3.082 1.00 0.00 C ATOM 1113 O ARG A 76 5.604 -0.898 2.975 1.00 0.00 O ATOM 1114 CB ARG A 76 2.463 -0.580 1.506 1.00 0.00 C ATOM 1115 CG ARG A 76 3.041 0.781 1.155 1.00 0.00 C ATOM 1116 CD ARG A 76 2.024 1.891 1.367 1.00 0.00 C ATOM 1117 NE ARG A 76 2.645 3.212 1.360 1.00 0.00 N ATOM 1118 CZ ARG A 76 2.117 4.276 1.955 1.00 0.00 C ATOM 1119 NH1 ARG A 76 0.964 4.174 2.601 1.00 0.00 N ATOM 1120 NH2 ARG A 76 2.743 5.445 1.904 1.00 0.00 N ATOM 0 H ARG A 76 1.836 -2.768 2.449 1.00 0.00 H new ATOM 0 HA ARG A 76 4.143 -1.882 1.190 1.00 0.00 H new ATOM 0 HB2 ARG A 76 1.978 -0.998 0.624 1.00 0.00 H new ATOM 0 HB3 ARG A 76 1.691 -0.453 2.264 1.00 0.00 H new ATOM 0 HG2 ARG A 76 3.922 0.972 1.768 1.00 0.00 H new ATOM 0 HG3 ARG A 76 3.369 0.781 0.116 1.00 0.00 H new ATOM 0 HD2 ARG A 76 1.267 1.843 0.585 1.00 0.00 H new ATOM 0 HD3 ARG A 76 1.512 1.737 2.317 1.00 0.00 H new ATOM 0 HE ARG A 76 3.533 3.324 0.871 1.00 0.00 H new ATOM 0 HH11 ARG A 76 0.480 3.277 2.642 1.00 0.00 H new ATOM 0 HH12 ARG A 76 0.561 4.992 3.057 1.00 0.00 H new ATOM 0 HH21 ARG A 76 3.630 5.527 1.408 1.00 0.00 H new ATOM 0 HH22 ARG A 76 2.337 6.261 2.361 1.00 0.00 H new ATOM 1134 N THR A 77 3.735 -0.364 4.109 1.00 0.00 N ATOM 1135 CA THR A 77 4.451 0.302 5.190 1.00 0.00 C ATOM 1136 C THR A 77 5.734 -0.442 5.540 1.00 0.00 C ATOM 1137 O THR A 77 6.781 0.171 5.748 1.00 0.00 O ATOM 1138 CB THR A 77 3.578 0.418 6.454 1.00 0.00 C ATOM 1139 OG1 THR A 77 2.404 1.189 6.170 1.00 0.00 O ATOM 1140 CG2 THR A 77 4.354 1.066 7.590 1.00 0.00 C ATOM 0 H THR A 77 2.721 -0.368 4.215 1.00 0.00 H new ATOM 0 HA THR A 77 4.699 1.302 4.835 1.00 0.00 H new ATOM 0 HB THR A 77 3.287 -0.587 6.761 1.00 0.00 H new ATOM 0 HG1 THR A 77 1.854 1.257 6.978 1.00 0.00 H new ATOM 0 HG21 THR A 77 3.717 1.137 8.472 1.00 0.00 H new ATOM 0 HG22 THR A 77 5.230 0.461 7.823 1.00 0.00 H new ATOM 0 HG23 THR A 77 4.672 2.065 7.290 1.00 0.00 H new ATOM 1148 N ALA A 78 5.647 -1.767 5.601 1.00 0.00 N ATOM 1149 CA ALA A 78 6.803 -2.594 5.923 1.00 0.00 C ATOM 1150 C ALA A 78 7.865 -2.502 4.833 1.00 0.00 C ATOM 1151 O ALA A 78 9.010 -2.133 5.097 1.00 0.00 O ATOM 1152 CB ALA A 78 6.376 -4.041 6.125 1.00 0.00 C ATOM 0 H ALA A 78 4.788 -2.290 5.432 1.00 0.00 H new ATOM 0 HA ALA A 78 7.238 -2.221 6.850 1.00 0.00 H new ATOM 0 HB1 ALA A 78 7.249 -4.648 6.365 1.00 0.00 H new ATOM 0 HB2 ALA A 78 5.659 -4.098 6.944 1.00 0.00 H new ATOM 0 HB3 ALA A 78 5.914 -4.415 5.211 1.00 0.00 H new ATOM 1158 N LEU A 79 7.478 -2.838 3.607 1.00 0.00 N ATOM 1159 CA LEU A 79 8.398 -2.794 2.476 1.00 0.00 C ATOM 1160 C LEU A 79 9.147 -1.465 2.435 1.00 0.00 C ATOM 1161 O LEU A 79 10.379 -1.435 2.433 1.00 0.00 O ATOM 1162 CB LEU A 79 7.637 -3.003 1.165 1.00 0.00 C ATOM 1163 CG LEU A 79 6.953 -4.360 0.997 1.00 0.00 C ATOM 1164 CD1 LEU A 79 6.177 -4.408 -0.311 1.00 0.00 C ATOM 1165 CD2 LEU A 79 7.977 -5.484 1.052 1.00 0.00 C ATOM 0 H LEU A 79 6.534 -3.144 3.371 1.00 0.00 H new ATOM 0 HA LEU A 79 9.125 -3.597 2.599 1.00 0.00 H new ATOM 0 HB2 LEU A 79 6.880 -2.224 1.079 1.00 0.00 H new ATOM 0 HB3 LEU A 79 8.333 -2.864 0.338 1.00 0.00 H new ATOM 0 HG LEU A 79 6.250 -4.495 1.819 1.00 0.00 H new ATOM 0 HD11 LEU A 79 5.697 -5.381 -0.414 1.00 0.00 H new ATOM 0 HD12 LEU A 79 5.417 -3.626 -0.312 1.00 0.00 H new ATOM 0 HD13 LEU A 79 6.860 -4.251 -1.145 1.00 0.00 H new ATOM 0 HD21 LEU A 79 7.472 -6.442 0.931 1.00 0.00 H new ATOM 0 HD22 LEU A 79 8.704 -5.353 0.251 1.00 0.00 H new ATOM 0 HD23 LEU A 79 8.489 -5.463 2.014 1.00 0.00 H new ATOM 1177 N LEU A 80 8.397 -0.370 2.404 1.00 0.00 N ATOM 1178 CA LEU A 80 8.989 0.963 2.366 1.00 0.00 C ATOM 1179 C LEU A 80 10.178 1.057 3.317 1.00 0.00 C ATOM 1180 O LEU A 80 11.259 1.507 2.934 1.00 0.00 O ATOM 1181 CB LEU A 80 7.944 2.018 2.732 1.00 0.00 C ATOM 1182 CG LEU A 80 6.772 2.167 1.761 1.00 0.00 C ATOM 1183 CD1 LEU A 80 5.752 3.156 2.303 1.00 0.00 C ATOM 1184 CD2 LEU A 80 7.268 2.607 0.391 1.00 0.00 C ATOM 0 H LEU A 80 7.377 -0.378 2.404 1.00 0.00 H new ATOM 0 HA LEU A 80 9.342 1.148 1.352 1.00 0.00 H new ATOM 0 HB2 LEU A 80 7.545 1.779 3.718 1.00 0.00 H new ATOM 0 HB3 LEU A 80 8.445 2.982 2.816 1.00 0.00 H new ATOM 0 HG LEU A 80 6.286 1.197 1.656 1.00 0.00 H new ATOM 0 HD11 LEU A 80 4.925 3.249 1.599 1.00 0.00 H new ATOM 0 HD12 LEU A 80 5.374 2.800 3.261 1.00 0.00 H new ATOM 0 HD13 LEU A 80 6.225 4.129 2.438 1.00 0.00 H new ATOM 0 HD21 LEU A 80 6.421 2.708 -0.287 1.00 0.00 H new ATOM 0 HD22 LEU A 80 7.778 3.566 0.480 1.00 0.00 H new ATOM 0 HD23 LEU A 80 7.960 1.862 -0.002 1.00 0.00 H new ATOM 1196 N LYS A 81 9.973 0.629 4.557 1.00 0.00 N ATOM 1197 CA LYS A 81 11.028 0.661 5.563 1.00 0.00 C ATOM 1198 C LYS A 81 12.364 0.236 4.964 1.00 0.00 C ATOM 1199 O LYS A 81 13.409 0.796 5.292 1.00 0.00 O ATOM 1200 CB LYS A 81 10.669 -0.253 6.737 1.00 0.00 C ATOM 1201 CG LYS A 81 9.349 0.099 7.401 1.00 0.00 C ATOM 1202 CD LYS A 81 9.357 -0.251 8.880 1.00 0.00 C ATOM 1203 CE LYS A 81 8.973 -1.705 9.110 1.00 0.00 C ATOM 1204 NZ LYS A 81 9.011 -2.066 10.554 1.00 0.00 N ATOM 0 H LYS A 81 9.084 0.255 4.890 1.00 0.00 H new ATOM 0 HA LYS A 81 11.121 1.685 5.923 1.00 0.00 H new ATOM 0 HB2 LYS A 81 10.625 -1.283 6.384 1.00 0.00 H new ATOM 0 HB3 LYS A 81 11.464 -0.204 7.481 1.00 0.00 H new ATOM 0 HG2 LYS A 81 9.152 1.164 7.279 1.00 0.00 H new ATOM 0 HG3 LYS A 81 8.538 -0.434 6.905 1.00 0.00 H new ATOM 0 HD2 LYS A 81 10.348 -0.065 9.294 1.00 0.00 H new ATOM 0 HD3 LYS A 81 8.663 0.399 9.413 1.00 0.00 H new ATOM 0 HE2 LYS A 81 7.972 -1.883 8.717 1.00 0.00 H new ATOM 0 HE3 LYS A 81 9.653 -2.352 8.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 8.743 -3.064 10.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 9.972 -1.920 10.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 8.344 -1.466 11.080 1.00 0.00 H new ATOM 1218 N ASN A 82 12.323 -0.758 4.082 1.00 0.00 N ATOM 1219 CA ASN A 82 13.531 -1.258 3.436 1.00 0.00 C ATOM 1220 C ASN A 82 14.062 -0.249 2.422 1.00 0.00 C ATOM 1221 O ASN A 82 15.273 -0.097 2.259 1.00 0.00 O ATOM 1222 CB ASN A 82 13.250 -2.593 2.745 1.00 0.00 C ATOM 1223 CG ASN A 82 14.470 -3.493 2.707 1.00 0.00 C ATOM 1224 OD1 ASN A 82 14.369 -4.704 2.908 1.00 0.00 O ATOM 1225 ND2 ASN A 82 15.632 -2.904 2.450 1.00 0.00 N ATOM 0 H ASN A 82 11.466 -1.233 3.798 1.00 0.00 H new ATOM 0 HA ASN A 82 14.289 -1.408 4.205 1.00 0.00 H new ATOM 0 HB2 ASN A 82 12.440 -3.105 3.265 1.00 0.00 H new ATOM 0 HB3 ASN A 82 12.907 -2.407 1.727 1.00 0.00 H new ATOM 0 HD21 ASN A 82 16.488 -3.458 2.413 1.00 0.00 H new ATOM 0 HD22 ASN A 82 15.669 -1.897 2.290 1.00 0.00 H new ATOM 1232 N ILE A 83 13.149 0.437 1.744 1.00 0.00 N ATOM 1233 CA ILE A 83 13.525 1.432 0.748 1.00 0.00 C ATOM 1234 C ILE A 83 14.035 2.708 1.410 1.00 0.00 C ATOM 1235 O ILE A 83 13.299 3.384 2.130 1.00 0.00 O ATOM 1236 CB ILE A 83 12.342 1.783 -0.173 1.00 0.00 C ATOM 1237 CG1 ILE A 83 11.934 0.564 -1.003 1.00 0.00 C ATOM 1238 CG2 ILE A 83 12.703 2.950 -1.079 1.00 0.00 C ATOM 1239 CD1 ILE A 83 11.192 -0.488 -0.208 1.00 0.00 C ATOM 0 H ILE A 83 12.143 0.322 1.866 1.00 0.00 H new ATOM 0 HA ILE A 83 14.323 0.992 0.149 1.00 0.00 H new ATOM 0 HB ILE A 83 11.495 2.078 0.446 1.00 0.00 H new ATOM 0 HG12 ILE A 83 11.306 0.892 -1.831 1.00 0.00 H new ATOM 0 HG13 ILE A 83 12.827 0.116 -1.439 1.00 0.00 H new ATOM 0 HG21 ILE A 83 11.856 3.186 -1.724 1.00 0.00 H new ATOM 0 HG22 ILE A 83 12.949 3.820 -0.471 1.00 0.00 H new ATOM 0 HG23 ILE A 83 13.563 2.682 -1.693 1.00 0.00 H new ATOM 0 HD11 ILE A 83 10.934 -1.322 -0.860 1.00 0.00 H new ATOM 0 HD12 ILE A 83 11.826 -0.844 0.604 1.00 0.00 H new ATOM 0 HD13 ILE A 83 10.281 -0.056 0.206 1.00 0.00 H new ATOM 1251 N LYS A 84 15.299 3.033 1.160 1.00 0.00 N ATOM 1252 CA LYS A 84 15.908 4.230 1.729 1.00 0.00 C ATOM 1253 C LYS A 84 15.709 5.431 0.810 1.00 0.00 C ATOM 1254 O LYS A 84 16.222 5.461 -0.308 1.00 0.00 O ATOM 1255 CB LYS A 84 17.402 4.001 1.970 1.00 0.00 C ATOM 1256 CG LYS A 84 17.710 3.353 3.309 1.00 0.00 C ATOM 1257 CD LYS A 84 19.177 3.499 3.675 1.00 0.00 C ATOM 1258 CE LYS A 84 19.496 4.909 4.147 1.00 0.00 C ATOM 1259 NZ LYS A 84 18.838 5.221 5.445 1.00 0.00 N ATOM 0 H LYS A 84 15.922 2.484 0.567 1.00 0.00 H new ATOM 0 HA LYS A 84 15.420 4.439 2.681 1.00 0.00 H new ATOM 0 HB2 LYS A 84 17.798 3.373 1.172 1.00 0.00 H new ATOM 0 HB3 LYS A 84 17.922 4.957 1.910 1.00 0.00 H new ATOM 0 HG2 LYS A 84 17.094 3.808 4.085 1.00 0.00 H new ATOM 0 HG3 LYS A 84 17.447 2.296 3.272 1.00 0.00 H new ATOM 0 HD2 LYS A 84 19.430 2.786 4.459 1.00 0.00 H new ATOM 0 HD3 LYS A 84 19.795 3.255 2.811 1.00 0.00 H new ATOM 0 HE2 LYS A 84 20.575 5.022 4.250 1.00 0.00 H new ATOM 0 HE3 LYS A 84 19.171 5.626 3.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 19.314 6.032 5.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 17.838 5.455 5.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 18.901 4.395 6.074 1.00 0.00 H new ATOM 1273 N SER A 85 14.961 6.420 1.290 1.00 0.00 N ATOM 1274 CA SER A 85 14.693 7.622 0.511 1.00 0.00 C ATOM 1275 C SER A 85 15.657 8.742 0.890 1.00 0.00 C ATOM 1276 O SER A 85 16.009 8.905 2.057 1.00 0.00 O ATOM 1277 CB SER A 85 13.250 8.083 0.726 1.00 0.00 C ATOM 1278 OG SER A 85 13.114 8.779 1.952 1.00 0.00 O ATOM 0 H SER A 85 14.530 6.412 2.215 1.00 0.00 H new ATOM 0 HA SER A 85 14.838 7.382 -0.542 1.00 0.00 H new ATOM 0 HB2 SER A 85 12.945 8.728 -0.098 1.00 0.00 H new ATOM 0 HB3 SER A 85 12.584 7.220 0.719 1.00 0.00 H new ATOM 0 HG SER A 85 12.183 9.064 2.065 1.00 0.00 H new ATOM 1284 N GLY A 86 16.082 9.512 -0.108 1.00 0.00 N ATOM 1285 CA GLY A 86 17.002 10.606 0.139 1.00 0.00 C ATOM 1286 C GLY A 86 16.350 11.756 0.882 1.00 0.00 C ATOM 1287 O GLY A 86 15.925 11.620 2.029 1.00 0.00 O ATOM 0 H GLY A 86 15.805 9.397 -1.083 1.00 0.00 H new ATOM 0 HA2 GLY A 86 17.851 10.239 0.716 1.00 0.00 H new ATOM 0 HA3 GLY A 86 17.395 10.968 -0.811 1.00 0.00 H new ATOM 1291 N PRO A 87 16.265 12.920 0.221 1.00 0.00 N ATOM 1292 CA PRO A 87 15.662 14.121 0.808 1.00 0.00 C ATOM 1293 C PRO A 87 14.151 13.990 0.970 1.00 0.00 C ATOM 1294 O PRO A 87 13.453 13.560 0.053 1.00 0.00 O ATOM 1295 CB PRO A 87 15.997 15.217 -0.206 1.00 0.00 C ATOM 1296 CG PRO A 87 16.173 14.498 -1.499 1.00 0.00 C ATOM 1297 CD PRO A 87 16.750 13.154 -1.149 1.00 0.00 C ATOM 0 HA PRO A 87 16.040 14.319 1.811 1.00 0.00 H new ATOM 0 HB2 PRO A 87 15.197 15.955 -0.269 1.00 0.00 H new ATOM 0 HB3 PRO A 87 16.904 15.753 0.075 1.00 0.00 H new ATOM 0 HG2 PRO A 87 15.221 14.391 -2.019 1.00 0.00 H new ATOM 0 HG3 PRO A 87 16.839 15.048 -2.164 1.00 0.00 H new ATOM 0 HD2 PRO A 87 16.407 12.379 -1.834 1.00 0.00 H new ATOM 0 HD3 PRO A 87 17.839 13.160 -1.194 1.00 0.00 H new ATOM 1305 N SER A 88 13.653 14.365 2.144 1.00 0.00 N ATOM 1306 CA SER A 88 12.224 14.287 2.428 1.00 0.00 C ATOM 1307 C SER A 88 11.586 15.672 2.389 1.00 0.00 C ATOM 1308 O SER A 88 11.905 16.538 3.203 1.00 0.00 O ATOM 1309 CB SER A 88 11.990 13.643 3.796 1.00 0.00 C ATOM 1310 OG SER A 88 12.506 14.454 4.837 1.00 0.00 O ATOM 0 H SER A 88 14.217 14.726 2.914 1.00 0.00 H new ATOM 0 HA SER A 88 11.758 13.670 1.659 1.00 0.00 H new ATOM 0 HB2 SER A 88 10.922 13.485 3.949 1.00 0.00 H new ATOM 0 HB3 SER A 88 12.465 12.662 3.826 1.00 0.00 H new ATOM 0 HG SER A 88 12.479 15.394 4.563 1.00 0.00 H new ATOM 1316 N SER A 89 10.682 15.873 1.436 1.00 0.00 N ATOM 1317 CA SER A 89 10.000 17.153 1.287 1.00 0.00 C ATOM 1318 C SER A 89 9.382 17.597 2.609 1.00 0.00 C ATOM 1319 O SER A 89 9.635 18.703 3.085 1.00 0.00 O ATOM 1320 CB SER A 89 8.916 17.056 0.211 1.00 0.00 C ATOM 1321 OG SER A 89 8.209 18.278 0.088 1.00 0.00 O ATOM 0 H SER A 89 10.405 15.166 0.755 1.00 0.00 H new ATOM 0 HA SER A 89 10.738 17.896 0.983 1.00 0.00 H new ATOM 0 HB2 SER A 89 9.371 16.797 -0.745 1.00 0.00 H new ATOM 0 HB3 SER A 89 8.222 16.254 0.461 1.00 0.00 H new ATOM 0 HG SER A 89 7.523 18.191 -0.607 1.00 0.00 H new ATOM 1327 N GLY A 90 8.570 16.724 3.198 1.00 0.00 N ATOM 1328 CA GLY A 90 7.928 17.044 4.460 1.00 0.00 C ATOM 1329 C GLY A 90 6.872 16.027 4.847 1.00 0.00 C ATOM 1330 O GLY A 90 6.862 14.907 4.335 1.00 0.00 O ATOM 0 H GLY A 90 8.345 15.802 2.824 1.00 0.00 H new ATOM 0 HA2 GLY A 90 8.682 17.097 5.245 1.00 0.00 H new ATOM 0 HA3 GLY A 90 7.470 18.031 4.391 1.00 0.00 H new TER 1334 GLY A 90