USER MOD reduce.3.24.130724 H: found=0, std=0, add=650, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 648 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 Single : A 1 GLY N :NH3+ -115:sc= 0.0828 (180deg=0) USER MOD Single : A 2 SER OG : rot 24:sc= 0.222 USER MOD Single : A 3 SER OG : rot 5:sc= 0.226 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 LYS NZ :NH3+ -167:sc= -0.0034 (180deg=-0.137) USER MOD Single : A 10 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.0206 USER MOD Single : A 13 SER OG : rot 180:sc= -0.0486 USER MOD Single : A 15 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0289) USER MOD Single : A 16 HIS : no HD1:sc= -0.0224 X(o=-0.022,f=0) USER MOD Single : A 17 HIS : no HD1:sc= -0.114 X(o=-0.11,f=-0.0034) USER MOD Single : A 18 GLN : amide:sc= -1.3! X(o=-1.3!,f=-0.96) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 MET CE :methyl -154:sc= -0.278 (180deg=-0.632) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 97:sc= 1.29 USER MOD Single : A 25 TYR OH : rot 165:sc= -0.334 USER MOD Single : A 29 ASN : amide:sc= -5.14! C(o=-5.1!,f=-18!) USER MOD Single : A 30 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 31 ASN : amide:sc= -2.19 K(o=-2.2,f=-8.8!) USER MOD Single : A 35 LYS NZ :NH3+ -135:sc= 0 (180deg=-0.793) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 GLN : amide:sc=-0.00803 X(o=-0.008,f=-0.18) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot -58:sc= 0.324 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -6.51! C(o=-6.5!,f=-4!) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 57 ASN : amide:sc= -0.466 X(o=-0.47,f=-0.51) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=-0.0095) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 ASN : amide:sc= -0.0972 X(o=-0.097,f=-0.097) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 19.785 -6.032 -9.476 1.00 0.00 N ATOM 2 CA GLY A 1 18.583 -5.281 -9.783 1.00 0.00 C ATOM 3 C GLY A 1 17.332 -6.133 -9.716 1.00 0.00 C ATOM 4 O GLY A 1 17.412 -7.361 -9.655 1.00 0.00 O ATOM 0 H1 GLY A 1 20.208 -5.667 -8.599 1.00 0.00 H new ATOM 0 H2 GLY A 1 19.545 -7.036 -9.353 1.00 0.00 H new ATOM 0 H3 GLY A 1 20.465 -5.932 -10.256 1.00 0.00 H new ATOM 0 HA2 GLY A 1 18.490 -4.450 -9.084 1.00 0.00 H new ATOM 0 HA3 GLY A 1 18.672 -4.851 -10.780 1.00 0.00 H new ATOM 8 N SER A 2 16.173 -5.483 -9.726 1.00 0.00 N ATOM 9 CA SER A 2 14.899 -6.190 -9.659 1.00 0.00 C ATOM 10 C SER A 2 13.807 -5.412 -10.386 1.00 0.00 C ATOM 11 O SER A 2 13.937 -4.211 -10.621 1.00 0.00 O ATOM 12 CB SER A 2 14.494 -6.419 -8.202 1.00 0.00 C ATOM 13 OG SER A 2 15.110 -7.582 -7.677 1.00 0.00 O ATOM 0 H SER A 2 16.090 -4.468 -9.780 1.00 0.00 H new ATOM 0 HA SER A 2 15.022 -7.155 -10.150 1.00 0.00 H new ATOM 0 HB2 SER A 2 14.775 -5.553 -7.603 1.00 0.00 H new ATOM 0 HB3 SER A 2 13.410 -6.515 -8.134 1.00 0.00 H new ATOM 0 HG SER A 2 15.922 -7.781 -8.188 1.00 0.00 H new ATOM 19 N SER A 3 12.730 -6.106 -10.742 1.00 0.00 N ATOM 20 CA SER A 3 11.617 -5.482 -11.446 1.00 0.00 C ATOM 21 C SER A 3 10.300 -6.169 -11.096 1.00 0.00 C ATOM 22 O SER A 3 10.282 -7.186 -10.404 1.00 0.00 O ATOM 23 CB SER A 3 11.847 -5.535 -12.957 1.00 0.00 C ATOM 24 OG SER A 3 12.887 -4.654 -13.346 1.00 0.00 O ATOM 0 H SER A 3 12.605 -7.101 -10.554 1.00 0.00 H new ATOM 0 HA SER A 3 11.559 -4.440 -11.131 1.00 0.00 H new ATOM 0 HB2 SER A 3 12.098 -6.553 -13.254 1.00 0.00 H new ATOM 0 HB3 SER A 3 10.927 -5.269 -13.478 1.00 0.00 H new ATOM 0 HG SER A 3 13.295 -4.257 -12.548 1.00 0.00 H new ATOM 30 N GLY A 4 9.198 -5.604 -11.580 1.00 0.00 N ATOM 31 CA GLY A 4 7.891 -6.174 -11.310 1.00 0.00 C ATOM 32 C GLY A 4 6.919 -5.965 -12.453 1.00 0.00 C ATOM 33 O GLY A 4 7.282 -6.109 -13.620 1.00 0.00 O ATOM 0 H GLY A 4 9.187 -4.761 -12.155 1.00 0.00 H new ATOM 0 HA2 GLY A 4 7.997 -7.242 -11.118 1.00 0.00 H new ATOM 0 HA3 GLY A 4 7.483 -5.726 -10.404 1.00 0.00 H new ATOM 37 N SER A 5 5.679 -5.626 -12.118 1.00 0.00 N ATOM 38 CA SER A 5 4.648 -5.402 -13.126 1.00 0.00 C ATOM 39 C SER A 5 4.363 -6.683 -13.905 1.00 0.00 C ATOM 40 O SER A 5 4.206 -6.659 -15.125 1.00 0.00 O ATOM 41 CB SER A 5 5.079 -4.293 -14.088 1.00 0.00 C ATOM 42 OG SER A 5 3.954 -3.659 -14.672 1.00 0.00 O ATOM 0 H SER A 5 5.363 -5.500 -11.156 1.00 0.00 H new ATOM 0 HA SER A 5 3.735 -5.097 -12.615 1.00 0.00 H new ATOM 0 HB2 SER A 5 5.679 -3.556 -13.553 1.00 0.00 H new ATOM 0 HB3 SER A 5 5.712 -4.712 -14.871 1.00 0.00 H new ATOM 0 HG SER A 5 4.256 -2.953 -15.281 1.00 0.00 H new ATOM 48 N SER A 6 4.296 -7.801 -13.189 1.00 0.00 N ATOM 49 CA SER A 6 4.032 -9.093 -13.811 1.00 0.00 C ATOM 50 C SER A 6 2.568 -9.488 -13.644 1.00 0.00 C ATOM 51 O SER A 6 2.196 -10.137 -12.669 1.00 0.00 O ATOM 52 CB SER A 6 4.935 -10.169 -13.203 1.00 0.00 C ATOM 53 OG SER A 6 4.817 -11.392 -13.909 1.00 0.00 O ATOM 0 H SER A 6 4.421 -7.838 -12.177 1.00 0.00 H new ATOM 0 HA SER A 6 4.247 -9.007 -14.876 1.00 0.00 H new ATOM 0 HB2 SER A 6 5.972 -9.832 -13.223 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.670 -10.322 -12.157 1.00 0.00 H new ATOM 0 HG SER A 6 5.405 -12.063 -13.502 1.00 0.00 H new ATOM 59 N GLY A 7 1.741 -9.090 -14.608 1.00 0.00 N ATOM 60 CA GLY A 7 0.328 -9.411 -14.550 1.00 0.00 C ATOM 61 C GLY A 7 -0.441 -8.481 -13.634 1.00 0.00 C ATOM 62 O GLY A 7 0.151 -7.747 -12.841 1.00 0.00 O ATOM 0 H GLY A 7 2.025 -8.552 -15.426 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -0.095 -9.359 -15.553 1.00 0.00 H new ATOM 0 HA3 GLY A 7 0.206 -10.438 -14.206 1.00 0.00 H new ATOM 66 N LYS A 8 -1.765 -8.507 -13.742 1.00 0.00 N ATOM 67 CA LYS A 8 -2.618 -7.659 -12.917 1.00 0.00 C ATOM 68 C LYS A 8 -4.038 -8.213 -12.854 1.00 0.00 C ATOM 69 O LYS A 8 -4.446 -8.998 -13.710 1.00 0.00 O ATOM 70 CB LYS A 8 -2.639 -6.231 -13.469 1.00 0.00 C ATOM 71 CG LYS A 8 -3.128 -6.143 -14.904 1.00 0.00 C ATOM 72 CD LYS A 8 -2.914 -4.753 -15.480 1.00 0.00 C ATOM 73 CE LYS A 8 -3.134 -4.733 -16.985 1.00 0.00 C ATOM 74 NZ LYS A 8 -2.041 -5.430 -17.716 1.00 0.00 N ATOM 0 H LYS A 8 -2.271 -9.107 -14.393 1.00 0.00 H new ATOM 0 HA LYS A 8 -2.208 -7.645 -11.907 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -3.279 -5.615 -12.837 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -1.634 -5.812 -13.410 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -2.601 -6.876 -15.515 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -4.187 -6.396 -14.945 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -3.597 -4.051 -15.002 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -1.902 -4.417 -15.255 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -4.087 -5.208 -17.219 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -3.199 -3.701 -17.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -2.106 -5.209 -18.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -1.121 -5.112 -17.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -2.132 -6.457 -17.579 1.00 0.00 H new ATOM 88 N ARG A 9 -4.784 -7.798 -11.836 1.00 0.00 N ATOM 89 CA ARG A 9 -6.159 -8.252 -11.663 1.00 0.00 C ATOM 90 C ARG A 9 -7.061 -7.102 -11.223 1.00 0.00 C ATOM 91 O ARG A 9 -6.603 -5.973 -11.049 1.00 0.00 O ATOM 92 CB ARG A 9 -6.218 -9.383 -10.633 1.00 0.00 C ATOM 93 CG ARG A 9 -5.597 -10.682 -11.119 1.00 0.00 C ATOM 94 CD ARG A 9 -6.567 -11.477 -11.978 1.00 0.00 C ATOM 95 NE ARG A 9 -5.910 -12.591 -12.658 1.00 0.00 N ATOM 96 CZ ARG A 9 -6.539 -13.426 -13.477 1.00 0.00 C ATOM 97 NH1 ARG A 9 -7.834 -13.274 -13.717 1.00 0.00 N ATOM 98 NH2 ARG A 9 -5.873 -14.416 -14.057 1.00 0.00 N ATOM 0 H ARG A 9 -4.460 -7.149 -11.119 1.00 0.00 H new ATOM 0 HA ARG A 9 -6.516 -8.624 -12.623 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -5.707 -9.063 -9.725 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -7.259 -9.565 -10.365 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -4.696 -10.463 -11.693 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -5.291 -11.283 -10.263 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -7.375 -11.859 -11.354 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -7.021 -10.817 -12.718 1.00 0.00 H new ATOM 0 HE ARG A 9 -4.914 -12.735 -12.495 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -8.349 -12.514 -13.272 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -8.315 -13.917 -14.346 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -4.877 -14.536 -13.874 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -6.357 -15.057 -14.686 1.00 0.00 H new ATOM 112 N MET A 10 -8.345 -7.399 -11.046 1.00 0.00 N ATOM 113 CA MET A 10 -9.309 -6.388 -10.627 1.00 0.00 C ATOM 114 C MET A 10 -9.320 -6.244 -9.107 1.00 0.00 C ATOM 115 O MET A 10 -9.018 -7.192 -8.383 1.00 0.00 O ATOM 116 CB MET A 10 -10.710 -6.752 -11.125 1.00 0.00 C ATOM 117 CG MET A 10 -10.944 -6.402 -12.585 1.00 0.00 C ATOM 118 SD MET A 10 -10.992 -4.622 -12.874 1.00 0.00 S ATOM 119 CE MET A 10 -12.673 -4.419 -13.455 1.00 0.00 C ATOM 0 H MET A 10 -8.741 -8.329 -11.186 1.00 0.00 H new ATOM 0 HA MET A 10 -9.011 -5.435 -11.063 1.00 0.00 H new ATOM 0 HB2 MET A 10 -10.870 -7.821 -10.986 1.00 0.00 H new ATOM 0 HB3 MET A 10 -11.450 -6.236 -10.513 1.00 0.00 H new ATOM 0 HG2 MET A 10 -10.153 -6.843 -13.192 1.00 0.00 H new ATOM 0 HG3 MET A 10 -11.884 -6.845 -12.915 1.00 0.00 H new ATOM 0 HE1 MET A 10 -12.857 -3.368 -13.677 1.00 0.00 H new ATOM 0 HE2 MET A 10 -12.820 -5.011 -14.358 1.00 0.00 H new ATOM 0 HE3 MET A 10 -13.367 -4.754 -12.684 1.00 0.00 H new ATOM 129 N ARG A 11 -9.670 -5.054 -8.633 1.00 0.00 N ATOM 130 CA ARG A 11 -9.718 -4.785 -7.201 1.00 0.00 C ATOM 131 C ARG A 11 -11.099 -4.284 -6.788 1.00 0.00 C ATOM 132 O ARG A 11 -11.747 -3.538 -7.522 1.00 0.00 O ATOM 133 CB ARG A 11 -8.654 -3.756 -6.817 1.00 0.00 C ATOM 134 CG ARG A 11 -8.946 -2.356 -7.335 1.00 0.00 C ATOM 135 CD ARG A 11 -7.683 -1.511 -7.400 1.00 0.00 C ATOM 136 NE ARG A 11 -7.860 -0.325 -8.234 1.00 0.00 N ATOM 137 CZ ARG A 11 -8.431 0.795 -7.805 1.00 0.00 C ATOM 138 NH1 ARG A 11 -8.877 0.881 -6.559 1.00 0.00 N ATOM 139 NH2 ARG A 11 -8.557 1.833 -8.622 1.00 0.00 N ATOM 0 H ARG A 11 -9.925 -4.260 -9.220 1.00 0.00 H new ATOM 0 HA ARG A 11 -9.517 -5.718 -6.675 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -8.569 -3.722 -5.731 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -7.688 -4.083 -7.203 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -9.394 -2.420 -8.327 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -9.676 -1.872 -6.686 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -7.398 -1.207 -6.393 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -6.864 -2.113 -7.795 1.00 0.00 H new ATOM 0 HE ARG A 11 -7.527 -0.359 -9.198 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -8.782 0.086 -5.927 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -9.315 1.742 -6.232 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -8.215 1.772 -9.581 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -8.996 2.692 -8.291 1.00 0.00 H new ATOM 153 N THR A 12 -11.545 -4.700 -5.606 1.00 0.00 N ATOM 154 CA THR A 12 -12.848 -4.296 -5.095 1.00 0.00 C ATOM 155 C THR A 12 -12.704 -3.322 -3.931 1.00 0.00 C ATOM 156 O THR A 12 -11.665 -3.274 -3.273 1.00 0.00 O ATOM 157 CB THR A 12 -13.672 -5.512 -4.633 1.00 0.00 C ATOM 158 OG1 THR A 12 -14.999 -5.102 -4.284 1.00 0.00 O ATOM 159 CG2 THR A 12 -13.015 -6.190 -3.439 1.00 0.00 C ATOM 0 H THR A 12 -11.022 -5.317 -4.985 1.00 0.00 H new ATOM 0 HA THR A 12 -13.370 -3.803 -5.915 1.00 0.00 H new ATOM 0 HB THR A 12 -13.717 -6.225 -5.456 1.00 0.00 H new ATOM 0 HG1 THR A 12 -15.516 -5.882 -3.993 1.00 0.00 H new ATOM 0 HG21 THR A 12 -13.615 -7.046 -3.131 1.00 0.00 H new ATOM 0 HG22 THR A 12 -12.017 -6.528 -3.717 1.00 0.00 H new ATOM 0 HG23 THR A 12 -12.942 -5.482 -2.613 1.00 0.00 H new ATOM 167 N SER A 13 -13.755 -2.547 -3.681 1.00 0.00 N ATOM 168 CA SER A 13 -13.744 -1.570 -2.598 1.00 0.00 C ATOM 169 C SER A 13 -13.134 -2.169 -1.334 1.00 0.00 C ATOM 170 O SER A 13 -13.109 -3.387 -1.159 1.00 0.00 O ATOM 171 CB SER A 13 -15.165 -1.083 -2.309 1.00 0.00 C ATOM 172 OG SER A 13 -15.200 -0.275 -1.145 1.00 0.00 O ATOM 0 H SER A 13 -14.624 -2.577 -4.213 1.00 0.00 H new ATOM 0 HA SER A 13 -13.133 -0.723 -2.911 1.00 0.00 H new ATOM 0 HB2 SER A 13 -15.539 -0.515 -3.161 1.00 0.00 H new ATOM 0 HB3 SER A 13 -15.827 -1.939 -2.181 1.00 0.00 H new ATOM 0 HG SER A 13 -16.119 0.025 -0.983 1.00 0.00 H new ATOM 178 N PHE A 14 -12.640 -1.302 -0.455 1.00 0.00 N ATOM 179 CA PHE A 14 -12.027 -1.743 0.791 1.00 0.00 C ATOM 180 C PHE A 14 -12.635 -1.010 1.985 1.00 0.00 C ATOM 181 O PHE A 14 -12.938 0.180 1.909 1.00 0.00 O ATOM 182 CB PHE A 14 -10.516 -1.509 0.753 1.00 0.00 C ATOM 183 CG PHE A 14 -9.818 -2.282 -0.331 1.00 0.00 C ATOM 184 CD1 PHE A 14 -9.919 -3.662 -0.391 1.00 0.00 C ATOM 185 CD2 PHE A 14 -9.060 -1.626 -1.288 1.00 0.00 C ATOM 186 CE1 PHE A 14 -9.278 -4.375 -1.387 1.00 0.00 C ATOM 187 CE2 PHE A 14 -8.418 -2.334 -2.286 1.00 0.00 C ATOM 188 CZ PHE A 14 -8.526 -3.710 -2.336 1.00 0.00 C ATOM 0 H PHE A 14 -12.653 -0.290 -0.584 1.00 0.00 H new ATOM 0 HA PHE A 14 -12.220 -2.810 0.903 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -10.324 -0.445 0.611 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -10.089 -1.784 1.717 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -10.505 -4.187 0.349 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -8.970 -0.550 -1.253 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -9.365 -5.451 -1.423 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -7.832 -1.811 -3.027 1.00 0.00 H new ATOM 0 HZ PHE A 14 -8.024 -4.265 -3.115 1.00 0.00 H new ATOM 198 N LYS A 15 -12.812 -1.732 3.087 1.00 0.00 N ATOM 199 CA LYS A 15 -13.384 -1.154 4.297 1.00 0.00 C ATOM 200 C LYS A 15 -12.336 -0.354 5.064 1.00 0.00 C ATOM 201 O LYS A 15 -11.145 -0.665 5.016 1.00 0.00 O ATOM 202 CB LYS A 15 -13.955 -2.256 5.192 1.00 0.00 C ATOM 203 CG LYS A 15 -14.785 -3.282 4.440 1.00 0.00 C ATOM 204 CD LYS A 15 -16.243 -2.865 4.351 1.00 0.00 C ATOM 205 CE LYS A 15 -17.158 -4.068 4.190 1.00 0.00 C ATOM 206 NZ LYS A 15 -17.340 -4.802 5.473 1.00 0.00 N ATOM 0 H LYS A 15 -12.567 -2.719 3.167 1.00 0.00 H new ATOM 0 HA LYS A 15 -14.188 -0.480 4.003 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -13.133 -2.765 5.696 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -14.571 -1.800 5.967 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -14.381 -3.412 3.436 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -14.712 -4.247 4.941 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -16.520 -2.313 5.249 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -16.378 -2.188 3.507 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -18.129 -3.739 3.819 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -16.743 -4.743 3.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -18.060 -5.542 5.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -16.439 -5.239 5.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -17.648 -4.138 6.212 1.00 0.00 H new ATOM 220 N HIS A 16 -12.787 0.676 5.772 1.00 0.00 N ATOM 221 CA HIS A 16 -11.888 1.520 6.552 1.00 0.00 C ATOM 222 C HIS A 16 -11.231 0.722 7.674 1.00 0.00 C ATOM 223 O HIS A 16 -10.207 1.131 8.224 1.00 0.00 O ATOM 224 CB HIS A 16 -12.649 2.711 7.136 1.00 0.00 C ATOM 225 CG HIS A 16 -13.352 2.400 8.422 1.00 0.00 C ATOM 226 ND1 HIS A 16 -14.591 1.798 8.476 1.00 0.00 N ATOM 227 CD2 HIS A 16 -12.980 2.610 9.707 1.00 0.00 C ATOM 228 CE1 HIS A 16 -14.952 1.652 9.738 1.00 0.00 C ATOM 229 NE2 HIS A 16 -13.993 2.137 10.505 1.00 0.00 N ATOM 0 H HIS A 16 -13.769 0.947 5.822 1.00 0.00 H new ATOM 0 HA HIS A 16 -11.108 1.889 5.886 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -11.951 3.532 7.302 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -13.381 3.058 6.406 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -12.059 3.064 10.042 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -15.875 1.211 10.084 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -14.003 2.157 11.525 1.00 0.00 H new ATOM 238 N HIS A 17 -11.826 -0.418 8.009 1.00 0.00 N ATOM 239 CA HIS A 17 -11.297 -1.274 9.067 1.00 0.00 C ATOM 240 C HIS A 17 -9.991 -1.931 8.632 1.00 0.00 C ATOM 241 O HIS A 17 -8.932 -1.659 9.197 1.00 0.00 O ATOM 242 CB HIS A 17 -12.321 -2.346 9.443 1.00 0.00 C ATOM 243 CG HIS A 17 -11.737 -3.482 10.225 1.00 0.00 C ATOM 244 ND1 HIS A 17 -11.552 -3.438 11.591 1.00 0.00 N ATOM 245 CD2 HIS A 17 -11.299 -4.699 9.826 1.00 0.00 C ATOM 246 CE1 HIS A 17 -11.023 -4.577 11.999 1.00 0.00 C ATOM 247 NE2 HIS A 17 -10.860 -5.361 10.948 1.00 0.00 N ATOM 0 H HIS A 17 -12.674 -0.771 7.565 1.00 0.00 H new ATOM 0 HA HIS A 17 -11.097 -0.651 9.939 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -13.119 -1.886 10.026 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -12.776 -2.738 8.533 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -11.295 -5.079 8.815 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -10.767 -4.825 13.018 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -10.472 -6.304 10.966 1.00 0.00 H new ATOM 256 N GLN A 18 -10.075 -2.796 7.627 1.00 0.00 N ATOM 257 CA GLN A 18 -8.899 -3.491 7.117 1.00 0.00 C ATOM 258 C GLN A 18 -7.823 -2.500 6.685 1.00 0.00 C ATOM 259 O GLN A 18 -6.664 -2.613 7.082 1.00 0.00 O ATOM 260 CB GLN A 18 -9.282 -4.392 5.943 1.00 0.00 C ATOM 261 CG GLN A 18 -10.465 -3.876 5.140 1.00 0.00 C ATOM 262 CD GLN A 18 -10.402 -4.282 3.681 1.00 0.00 C ATOM 263 OE1 GLN A 18 -11.118 -5.185 3.245 1.00 0.00 O ATOM 264 NE2 GLN A 18 -9.545 -3.617 2.917 1.00 0.00 N ATOM 0 H GLN A 18 -10.945 -3.032 7.150 1.00 0.00 H new ATOM 0 HA GLN A 18 -8.496 -4.107 7.921 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -8.422 -4.497 5.281 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -9.517 -5.387 6.321 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -11.389 -4.253 5.578 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -10.500 -2.789 5.209 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -8.971 -2.876 3.320 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -9.460 -3.847 1.927 1.00 0.00 H new ATOM 273 N LEU A 19 -8.217 -1.530 5.867 1.00 0.00 N ATOM 274 CA LEU A 19 -7.287 -0.518 5.379 1.00 0.00 C ATOM 275 C LEU A 19 -6.544 0.144 6.535 1.00 0.00 C ATOM 276 O LEU A 19 -5.348 0.418 6.442 1.00 0.00 O ATOM 277 CB LEU A 19 -8.035 0.542 4.567 1.00 0.00 C ATOM 278 CG LEU A 19 -8.162 0.272 3.067 1.00 0.00 C ATOM 279 CD1 LEU A 19 -8.918 1.401 2.384 1.00 0.00 C ATOM 280 CD2 LEU A 19 -6.789 0.090 2.439 1.00 0.00 C ATOM 0 H LEU A 19 -9.173 -1.423 5.528 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.557 -1.012 4.738 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -9.037 0.649 4.983 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -7.530 1.498 4.702 1.00 0.00 H new ATOM 0 HG LEU A 19 -8.726 -0.651 2.930 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -8.999 1.192 1.317 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -9.916 1.483 2.814 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -8.382 2.339 2.530 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -6.900 -0.101 1.372 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -6.199 0.994 2.586 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.283 -0.754 2.908 1.00 0.00 H new ATOM 292 N ARG A 20 -7.261 0.394 7.625 1.00 0.00 N ATOM 293 CA ARG A 20 -6.670 1.021 8.802 1.00 0.00 C ATOM 294 C ARG A 20 -5.369 0.327 9.191 1.00 0.00 C ATOM 295 O ARG A 20 -4.391 0.978 9.563 1.00 0.00 O ATOM 296 CB ARG A 20 -7.651 0.984 9.974 1.00 0.00 C ATOM 297 CG ARG A 20 -7.147 1.703 11.214 1.00 0.00 C ATOM 298 CD ARG A 20 -7.308 3.210 11.090 1.00 0.00 C ATOM 299 NE ARG A 20 -7.280 3.873 12.390 1.00 0.00 N ATOM 300 CZ ARG A 20 -7.794 5.077 12.612 1.00 0.00 C ATOM 301 NH1 ARG A 20 -8.373 5.747 11.625 1.00 0.00 N ATOM 302 NH2 ARG A 20 -7.729 5.614 13.824 1.00 0.00 N ATOM 0 H ARG A 20 -8.252 0.172 7.718 1.00 0.00 H new ATOM 0 HA ARG A 20 -6.449 2.060 8.557 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -8.594 1.434 9.662 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -7.862 -0.055 10.227 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -7.693 1.349 12.088 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -6.097 1.460 11.374 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -6.511 3.609 10.463 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -8.250 3.434 10.589 1.00 0.00 H new ATOM 0 HE ARG A 20 -6.842 3.385 13.171 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -8.424 5.338 10.692 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -8.767 6.672 11.799 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -7.284 5.102 14.586 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -8.124 6.539 13.994 1.00 0.00 H new ATOM 316 N THR A 21 -5.363 -1.000 9.107 1.00 0.00 N ATOM 317 CA THR A 21 -4.183 -1.783 9.452 1.00 0.00 C ATOM 318 C THR A 21 -3.147 -1.739 8.334 1.00 0.00 C ATOM 319 O THR A 21 -1.944 -1.705 8.591 1.00 0.00 O ATOM 320 CB THR A 21 -4.549 -3.252 9.739 1.00 0.00 C ATOM 321 OG1 THR A 21 -5.322 -3.337 10.941 1.00 0.00 O ATOM 322 CG2 THR A 21 -3.296 -4.105 9.875 1.00 0.00 C ATOM 0 H THR A 21 -6.163 -1.555 8.803 1.00 0.00 H new ATOM 0 HA THR A 21 -3.760 -1.338 10.353 1.00 0.00 H new ATOM 0 HB THR A 21 -5.136 -3.628 8.901 1.00 0.00 H new ATOM 0 HG1 THR A 21 -5.552 -4.273 11.116 1.00 0.00 H new ATOM 0 HG21 THR A 21 -3.579 -5.138 10.077 1.00 0.00 H new ATOM 0 HG22 THR A 21 -2.723 -4.061 8.949 1.00 0.00 H new ATOM 0 HG23 THR A 21 -2.687 -3.728 10.697 1.00 0.00 H new ATOM 330 N MET A 22 -3.622 -1.739 7.093 1.00 0.00 N ATOM 331 CA MET A 22 -2.736 -1.696 5.936 1.00 0.00 C ATOM 332 C MET A 22 -2.045 -0.340 5.829 1.00 0.00 C ATOM 333 O MET A 22 -0.823 -0.245 5.943 1.00 0.00 O ATOM 334 CB MET A 22 -3.521 -1.984 4.654 1.00 0.00 C ATOM 335 CG MET A 22 -4.263 -3.310 4.680 1.00 0.00 C ATOM 336 SD MET A 22 -5.756 -3.290 3.671 1.00 0.00 S ATOM 337 CE MET A 22 -5.052 -3.324 2.024 1.00 0.00 C ATOM 0 H MET A 22 -4.615 -1.768 6.863 1.00 0.00 H new ATOM 0 HA MET A 22 -1.973 -2.463 6.066 1.00 0.00 H new ATOM 0 HB2 MET A 22 -4.237 -1.179 4.488 1.00 0.00 H new ATOM 0 HB3 MET A 22 -2.834 -1.978 3.808 1.00 0.00 H new ATOM 0 HG2 MET A 22 -3.600 -4.100 4.326 1.00 0.00 H new ATOM 0 HG3 MET A 22 -4.528 -3.554 5.709 1.00 0.00 H new ATOM 0 HE1 MET A 22 -5.748 -2.867 1.321 1.00 0.00 H new ATOM 0 HE2 MET A 22 -4.114 -2.769 2.018 1.00 0.00 H new ATOM 0 HE3 MET A 22 -4.865 -4.357 1.729 1.00 0.00 H new ATOM 347 N LYS A 23 -2.835 0.706 5.611 1.00 0.00 N ATOM 348 CA LYS A 23 -2.300 2.057 5.491 1.00 0.00 C ATOM 349 C LYS A 23 -1.292 2.343 6.599 1.00 0.00 C ATOM 350 O LYS A 23 -0.193 2.834 6.340 1.00 0.00 O ATOM 351 CB LYS A 23 -3.434 3.082 5.540 1.00 0.00 C ATOM 352 CG LYS A 23 -4.202 3.203 4.236 1.00 0.00 C ATOM 353 CD LYS A 23 -5.176 4.369 4.267 1.00 0.00 C ATOM 354 CE LYS A 23 -6.240 4.237 3.188 1.00 0.00 C ATOM 355 NZ LYS A 23 -5.816 4.874 1.911 1.00 0.00 N ATOM 0 H LYS A 23 -3.848 0.644 5.514 1.00 0.00 H new ATOM 0 HA LYS A 23 -1.789 2.136 4.531 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -4.127 2.807 6.335 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -3.021 4.056 5.800 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -3.502 3.335 3.411 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -4.747 2.278 4.047 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -5.653 4.419 5.246 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -4.631 5.303 4.130 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -6.453 3.182 3.015 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -7.166 4.696 3.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -6.568 4.763 1.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -5.637 5.886 2.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -4.946 4.419 1.568 1.00 0.00 H new ATOM 369 N SER A 24 -1.672 2.034 7.833 1.00 0.00 N ATOM 370 CA SER A 24 -0.803 2.261 8.982 1.00 0.00 C ATOM 371 C SER A 24 0.543 1.567 8.789 1.00 0.00 C ATOM 372 O SER A 24 1.573 2.039 9.273 1.00 0.00 O ATOM 373 CB SER A 24 -1.470 1.756 10.262 1.00 0.00 C ATOM 374 OG SER A 24 -2.543 2.599 10.645 1.00 0.00 O ATOM 0 H SER A 24 -2.577 1.625 8.064 1.00 0.00 H new ATOM 0 HA SER A 24 -0.631 3.334 9.070 1.00 0.00 H new ATOM 0 HB2 SER A 24 -1.838 0.741 10.108 1.00 0.00 H new ATOM 0 HB3 SER A 24 -0.735 1.710 11.065 1.00 0.00 H new ATOM 0 HG SER A 24 -3.387 2.223 10.318 1.00 0.00 H new ATOM 380 N TYR A 25 0.527 0.445 8.079 1.00 0.00 N ATOM 381 CA TYR A 25 1.745 -0.316 7.824 1.00 0.00 C ATOM 382 C TYR A 25 2.583 0.348 6.735 1.00 0.00 C ATOM 383 O TYR A 25 3.800 0.476 6.865 1.00 0.00 O ATOM 384 CB TYR A 25 1.399 -1.749 7.414 1.00 0.00 C ATOM 385 CG TYR A 25 2.605 -2.653 7.298 1.00 0.00 C ATOM 386 CD1 TYR A 25 3.482 -2.540 6.226 1.00 0.00 C ATOM 387 CD2 TYR A 25 2.870 -3.619 8.261 1.00 0.00 C ATOM 388 CE1 TYR A 25 4.585 -3.365 6.116 1.00 0.00 C ATOM 389 CE2 TYR A 25 3.970 -4.446 8.160 1.00 0.00 C ATOM 390 CZ TYR A 25 4.825 -4.316 7.085 1.00 0.00 C ATOM 391 OH TYR A 25 5.923 -5.138 6.979 1.00 0.00 O ATOM 0 H TYR A 25 -0.316 0.042 7.670 1.00 0.00 H new ATOM 0 HA TYR A 25 2.329 -0.339 8.744 1.00 0.00 H new ATOM 0 HB2 TYR A 25 0.708 -2.170 8.145 1.00 0.00 H new ATOM 0 HB3 TYR A 25 0.877 -1.728 6.457 1.00 0.00 H new ATOM 0 HD1 TYR A 25 3.298 -1.795 5.466 1.00 0.00 H new ATOM 0 HD2 TYR A 25 2.203 -3.724 9.104 1.00 0.00 H new ATOM 0 HE1 TYR A 25 5.256 -3.265 5.275 1.00 0.00 H new ATOM 0 HE2 TYR A 25 4.161 -5.191 8.918 1.00 0.00 H new ATOM 0 HH TYR A 25 6.086 -5.578 7.839 1.00 0.00 H new ATOM 401 N PHE A 26 1.922 0.770 5.662 1.00 0.00 N ATOM 402 CA PHE A 26 2.605 1.420 4.550 1.00 0.00 C ATOM 403 C PHE A 26 3.575 2.484 5.056 1.00 0.00 C ATOM 404 O PHE A 26 4.598 2.756 4.426 1.00 0.00 O ATOM 405 CB PHE A 26 1.587 2.053 3.599 1.00 0.00 C ATOM 406 CG PHE A 26 2.208 2.650 2.368 1.00 0.00 C ATOM 407 CD1 PHE A 26 2.893 1.852 1.466 1.00 0.00 C ATOM 408 CD2 PHE A 26 2.107 4.008 2.114 1.00 0.00 C ATOM 409 CE1 PHE A 26 3.465 2.399 0.331 1.00 0.00 C ATOM 410 CE2 PHE A 26 2.676 4.560 0.983 1.00 0.00 C ATOM 411 CZ PHE A 26 3.358 3.754 0.090 1.00 0.00 C ATOM 0 H PHE A 26 0.914 0.673 5.539 1.00 0.00 H new ATOM 0 HA PHE A 26 3.173 0.662 4.011 1.00 0.00 H new ATOM 0 HB2 PHE A 26 0.862 1.296 3.300 1.00 0.00 H new ATOM 0 HB3 PHE A 26 1.037 2.829 4.132 1.00 0.00 H new ATOM 0 HD1 PHE A 26 2.981 0.792 1.651 1.00 0.00 H new ATOM 0 HD2 PHE A 26 1.577 4.643 2.809 1.00 0.00 H new ATOM 0 HE1 PHE A 26 3.995 1.766 -0.366 1.00 0.00 H new ATOM 0 HE2 PHE A 26 2.588 5.620 0.796 1.00 0.00 H new ATOM 0 HZ PHE A 26 3.806 4.184 -0.794 1.00 0.00 H new ATOM 421 N ALA A 27 3.248 3.081 6.197 1.00 0.00 N ATOM 422 CA ALA A 27 4.090 4.113 6.788 1.00 0.00 C ATOM 423 C ALA A 27 5.279 3.500 7.518 1.00 0.00 C ATOM 424 O ALA A 27 6.355 4.096 7.584 1.00 0.00 O ATOM 425 CB ALA A 27 3.275 4.980 7.737 1.00 0.00 C ATOM 0 H ALA A 27 2.405 2.867 6.731 1.00 0.00 H new ATOM 0 HA ALA A 27 4.475 4.738 5.982 1.00 0.00 H new ATOM 0 HB1 ALA A 27 3.917 5.747 8.171 1.00 0.00 H new ATOM 0 HB2 ALA A 27 2.462 5.455 7.188 1.00 0.00 H new ATOM 0 HB3 ALA A 27 2.862 4.360 8.532 1.00 0.00 H new ATOM 431 N ILE A 28 5.080 2.306 8.067 1.00 0.00 N ATOM 432 CA ILE A 28 6.138 1.612 8.791 1.00 0.00 C ATOM 433 C ILE A 28 7.101 0.922 7.831 1.00 0.00 C ATOM 434 O ILE A 28 8.317 1.069 7.944 1.00 0.00 O ATOM 435 CB ILE A 28 5.561 0.566 9.762 1.00 0.00 C ATOM 436 CG1 ILE A 28 4.527 1.211 10.687 1.00 0.00 C ATOM 437 CG2 ILE A 28 6.678 -0.076 10.573 1.00 0.00 C ATOM 438 CD1 ILE A 28 3.455 0.253 11.158 1.00 0.00 C ATOM 0 H ILE A 28 4.196 1.799 8.024 1.00 0.00 H new ATOM 0 HA ILE A 28 6.678 2.367 9.362 1.00 0.00 H new ATOM 0 HB ILE A 28 5.065 -0.212 9.182 1.00 0.00 H new ATOM 0 HG12 ILE A 28 5.038 1.627 11.555 1.00 0.00 H new ATOM 0 HG13 ILE A 28 4.055 2.044 10.166 1.00 0.00 H new ATOM 0 HG21 ILE A 28 6.255 -0.813 11.255 1.00 0.00 H new ATOM 0 HG22 ILE A 28 7.381 -0.566 9.900 1.00 0.00 H new ATOM 0 HG23 ILE A 28 7.199 0.691 11.146 1.00 0.00 H new ATOM 0 HD11 ILE A 28 2.757 0.779 11.809 1.00 0.00 H new ATOM 0 HD12 ILE A 28 2.918 -0.144 10.297 1.00 0.00 H new ATOM 0 HD13 ILE A 28 3.916 -0.567 11.708 1.00 0.00 H new ATOM 450 N ASN A 29 6.547 0.170 6.885 1.00 0.00 N ATOM 451 CA ASN A 29 7.357 -0.542 5.903 1.00 0.00 C ATOM 452 C ASN A 29 6.725 -0.464 4.517 1.00 0.00 C ATOM 453 O ASN A 29 5.523 -0.681 4.358 1.00 0.00 O ATOM 454 CB ASN A 29 7.527 -2.005 6.317 1.00 0.00 C ATOM 455 CG ASN A 29 7.869 -2.902 5.143 1.00 0.00 C ATOM 456 OD1 ASN A 29 7.133 -2.962 4.158 1.00 0.00 O ATOM 457 ND2 ASN A 29 8.990 -3.607 5.244 1.00 0.00 N ATOM 0 H ASN A 29 5.541 0.038 6.778 1.00 0.00 H new ATOM 0 HA ASN A 29 8.337 -0.066 5.863 1.00 0.00 H new ATOM 0 HB2 ASN A 29 8.314 -2.078 7.068 1.00 0.00 H new ATOM 0 HB3 ASN A 29 6.607 -2.357 6.784 1.00 0.00 H new ATOM 0 HD21 ASN A 29 9.271 -4.229 4.486 1.00 0.00 H new ATOM 0 HD22 ASN A 29 9.570 -3.526 6.079 1.00 0.00 H new ATOM 464 N HIS A 30 7.543 -0.156 3.516 1.00 0.00 N ATOM 465 CA HIS A 30 7.065 -0.050 2.142 1.00 0.00 C ATOM 466 C HIS A 30 7.060 -1.415 1.463 1.00 0.00 C ATOM 467 O HIS A 30 6.071 -1.810 0.848 1.00 0.00 O ATOM 468 CB HIS A 30 7.937 0.925 1.350 1.00 0.00 C ATOM 469 CG HIS A 30 8.276 2.173 2.103 1.00 0.00 C ATOM 470 ND1 HIS A 30 9.572 2.585 2.333 1.00 0.00 N ATOM 471 CD2 HIS A 30 7.480 3.104 2.679 1.00 0.00 C ATOM 472 CE1 HIS A 30 9.558 3.714 3.019 1.00 0.00 C ATOM 473 NE2 HIS A 30 8.300 4.051 3.241 1.00 0.00 N ATOM 0 H HIS A 30 8.540 0.025 3.630 1.00 0.00 H new ATOM 0 HA HIS A 30 6.043 0.328 2.166 1.00 0.00 H new ATOM 0 HB2 HIS A 30 8.860 0.422 1.062 1.00 0.00 H new ATOM 0 HB3 HIS A 30 7.421 1.195 0.429 1.00 0.00 H new ATOM 0 HD2 HIS A 30 6.400 3.102 2.694 1.00 0.00 H new ATOM 0 HE1 HIS A 30 10.427 4.267 3.343 1.00 0.00 H new ATOM 0 HE2 HIS A 30 7.989 4.880 3.747 1.00 0.00 H new ATOM 482 N ASN A 31 8.174 -2.133 1.578 1.00 0.00 N ATOM 483 CA ASN A 31 8.298 -3.454 0.973 1.00 0.00 C ATOM 484 C ASN A 31 8.288 -4.544 2.041 1.00 0.00 C ATOM 485 O ASN A 31 9.328 -5.058 2.448 1.00 0.00 O ATOM 486 CB ASN A 31 9.585 -3.542 0.151 1.00 0.00 C ATOM 487 CG ASN A 31 9.701 -2.422 -0.865 1.00 0.00 C ATOM 488 OD1 ASN A 31 9.015 -2.423 -1.887 1.00 0.00 O ATOM 489 ND2 ASN A 31 10.572 -1.459 -0.587 1.00 0.00 N ATOM 0 H ASN A 31 9.003 -1.822 2.084 1.00 0.00 H new ATOM 0 HA ASN A 31 7.443 -3.607 0.315 1.00 0.00 H new ATOM 0 HB2 ASN A 31 10.444 -3.511 0.822 1.00 0.00 H new ATOM 0 HB3 ASN A 31 9.618 -4.502 -0.365 1.00 0.00 H new ATOM 0 HD21 ASN A 31 10.693 -0.679 -1.233 1.00 0.00 H new ATOM 0 HD22 ASN A 31 11.120 -1.499 0.273 1.00 0.00 H new ATOM 496 N PRO A 32 7.082 -4.905 2.504 1.00 0.00 N ATOM 497 CA PRO A 32 6.905 -5.939 3.529 1.00 0.00 C ATOM 498 C PRO A 32 7.233 -7.334 3.009 1.00 0.00 C ATOM 499 O PRO A 32 6.847 -7.699 1.897 1.00 0.00 O ATOM 500 CB PRO A 32 5.421 -5.836 3.885 1.00 0.00 C ATOM 501 CG PRO A 32 4.779 -5.259 2.670 1.00 0.00 C ATOM 502 CD PRO A 32 5.798 -4.335 2.063 1.00 0.00 C ATOM 0 HA PRO A 32 7.572 -5.789 4.378 1.00 0.00 H new ATOM 0 HB2 PRO A 32 5.003 -6.813 4.127 1.00 0.00 H new ATOM 0 HB3 PRO A 32 5.266 -5.198 4.755 1.00 0.00 H new ATOM 0 HG2 PRO A 32 4.496 -6.043 1.968 1.00 0.00 H new ATOM 0 HG3 PRO A 32 3.868 -4.719 2.929 1.00 0.00 H new ATOM 0 HD2 PRO A 32 5.721 -4.311 0.976 1.00 0.00 H new ATOM 0 HD3 PRO A 32 5.671 -3.311 2.414 1.00 0.00 H new ATOM 510 N ASP A 33 7.946 -8.110 3.817 1.00 0.00 N ATOM 511 CA ASP A 33 8.323 -9.467 3.438 1.00 0.00 C ATOM 512 C ASP A 33 7.136 -10.417 3.566 1.00 0.00 C ATOM 513 O ASP A 33 6.065 -10.029 4.029 1.00 0.00 O ATOM 514 CB ASP A 33 9.482 -9.958 4.308 1.00 0.00 C ATOM 515 CG ASP A 33 10.766 -9.196 4.044 1.00 0.00 C ATOM 516 OD1 ASP A 33 10.917 -8.653 2.929 1.00 0.00 O ATOM 517 OD2 ASP A 33 11.620 -9.142 4.954 1.00 0.00 O ATOM 0 H ASP A 33 8.275 -7.823 4.739 1.00 0.00 H new ATOM 0 HA ASP A 33 8.642 -9.452 2.396 1.00 0.00 H new ATOM 0 HB2 ASP A 33 9.212 -9.856 5.359 1.00 0.00 H new ATOM 0 HB3 ASP A 33 9.648 -11.019 4.123 1.00 0.00 H new ATOM 522 N ALA A 34 7.337 -11.664 3.152 1.00 0.00 N ATOM 523 CA ALA A 34 6.284 -12.670 3.221 1.00 0.00 C ATOM 524 C ALA A 34 5.669 -12.727 4.615 1.00 0.00 C ATOM 525 O ALA A 34 4.472 -12.499 4.788 1.00 0.00 O ATOM 526 CB ALA A 34 6.830 -14.034 2.826 1.00 0.00 C ATOM 0 H ALA A 34 8.219 -12.001 2.766 1.00 0.00 H new ATOM 0 HA ALA A 34 5.500 -12.388 2.518 1.00 0.00 H new ATOM 0 HB1 ALA A 34 6.033 -14.775 2.882 1.00 0.00 H new ATOM 0 HB2 ALA A 34 7.214 -13.991 1.807 1.00 0.00 H new ATOM 0 HB3 ALA A 34 7.635 -14.315 3.506 1.00 0.00 H new ATOM 532 N LYS A 35 6.497 -13.033 5.610 1.00 0.00 N ATOM 533 CA LYS A 35 6.036 -13.119 6.990 1.00 0.00 C ATOM 534 C LYS A 35 5.068 -11.986 7.312 1.00 0.00 C ATOM 535 O LYS A 35 4.008 -12.208 7.899 1.00 0.00 O ATOM 536 CB LYS A 35 7.226 -13.076 7.950 1.00 0.00 C ATOM 537 CG LYS A 35 6.983 -13.816 9.254 1.00 0.00 C ATOM 538 CD LYS A 35 6.209 -12.962 10.244 1.00 0.00 C ATOM 539 CE LYS A 35 5.721 -13.783 11.427 1.00 0.00 C ATOM 540 NZ LYS A 35 4.533 -14.611 11.076 1.00 0.00 N ATOM 0 H LYS A 35 7.491 -13.225 5.485 1.00 0.00 H new ATOM 0 HA LYS A 35 5.512 -14.067 7.113 1.00 0.00 H new ATOM 0 HB2 LYS A 35 8.097 -13.506 7.455 1.00 0.00 H new ATOM 0 HB3 LYS A 35 7.466 -12.036 8.171 1.00 0.00 H new ATOM 0 HG2 LYS A 35 6.431 -14.734 9.055 1.00 0.00 H new ATOM 0 HG3 LYS A 35 7.938 -14.107 9.692 1.00 0.00 H new ATOM 0 HD2 LYS A 35 6.844 -12.151 10.600 1.00 0.00 H new ATOM 0 HD3 LYS A 35 5.357 -12.503 9.742 1.00 0.00 H new ATOM 0 HE2 LYS A 35 6.525 -14.431 11.776 1.00 0.00 H new ATOM 0 HE3 LYS A 35 5.468 -13.117 12.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 3.820 -14.533 11.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 4.128 -14.274 10.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 4.821 -15.605 10.974 1.00 0.00 H new ATOM 554 N ASP A 36 5.437 -10.769 6.924 1.00 0.00 N ATOM 555 CA ASP A 36 4.600 -9.601 7.169 1.00 0.00 C ATOM 556 C ASP A 36 3.310 -9.676 6.358 1.00 0.00 C ATOM 557 O ASP A 36 2.230 -9.362 6.859 1.00 0.00 O ATOM 558 CB ASP A 36 5.361 -8.320 6.823 1.00 0.00 C ATOM 559 CG ASP A 36 6.689 -8.221 7.549 1.00 0.00 C ATOM 560 OD1 ASP A 36 6.687 -8.271 8.796 1.00 0.00 O ATOM 561 OD2 ASP A 36 7.728 -8.092 6.869 1.00 0.00 O ATOM 0 H ASP A 36 6.311 -10.567 6.438 1.00 0.00 H new ATOM 0 HA ASP A 36 4.341 -9.586 8.228 1.00 0.00 H new ATOM 0 HB2 ASP A 36 5.535 -8.283 5.748 1.00 0.00 H new ATOM 0 HB3 ASP A 36 4.746 -7.456 7.076 1.00 0.00 H new ATOM 566 N LEU A 37 3.430 -10.095 5.103 1.00 0.00 N ATOM 567 CA LEU A 37 2.274 -10.211 4.221 1.00 0.00 C ATOM 568 C LEU A 37 1.253 -11.191 4.789 1.00 0.00 C ATOM 569 O LEU A 37 0.090 -10.843 4.995 1.00 0.00 O ATOM 570 CB LEU A 37 2.714 -10.664 2.828 1.00 0.00 C ATOM 571 CG LEU A 37 3.084 -9.552 1.847 1.00 0.00 C ATOM 572 CD1 LEU A 37 3.804 -10.127 0.635 1.00 0.00 C ATOM 573 CD2 LEU A 37 1.842 -8.785 1.417 1.00 0.00 C ATOM 0 H LEU A 37 4.316 -10.360 4.673 1.00 0.00 H new ATOM 0 HA LEU A 37 1.805 -9.230 4.145 1.00 0.00 H new ATOM 0 HB2 LEU A 37 3.573 -11.325 2.937 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.910 -11.256 2.389 1.00 0.00 H new ATOM 0 HG LEU A 37 3.758 -8.859 2.350 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.060 -9.321 -0.053 1.00 0.00 H new ATOM 0 HD12 LEU A 37 4.715 -10.631 0.958 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.154 -10.842 0.131 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.124 -7.997 0.719 1.00 0.00 H new ATOM 0 HD22 LEU A 37 1.143 -9.467 0.932 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.367 -8.341 2.292 1.00 0.00 H new ATOM 585 N LYS A 38 1.695 -12.418 5.042 1.00 0.00 N ATOM 586 CA LYS A 38 0.822 -13.450 5.589 1.00 0.00 C ATOM 587 C LYS A 38 0.156 -12.972 6.876 1.00 0.00 C ATOM 588 O LYS A 38 -1.014 -13.261 7.122 1.00 0.00 O ATOM 589 CB LYS A 38 1.617 -14.729 5.858 1.00 0.00 C ATOM 590 CG LYS A 38 2.742 -14.547 6.862 1.00 0.00 C ATOM 591 CD LYS A 38 3.326 -15.882 7.293 1.00 0.00 C ATOM 592 CE LYS A 38 2.449 -16.566 8.329 1.00 0.00 C ATOM 593 NZ LYS A 38 2.664 -18.040 8.353 1.00 0.00 N ATOM 0 H LYS A 38 2.654 -12.723 4.877 1.00 0.00 H new ATOM 0 HA LYS A 38 0.045 -13.661 4.855 1.00 0.00 H new ATOM 0 HB2 LYS A 38 0.937 -15.499 6.223 1.00 0.00 H new ATOM 0 HB3 LYS A 38 2.035 -15.091 4.919 1.00 0.00 H new ATOM 0 HG2 LYS A 38 3.526 -13.930 6.423 1.00 0.00 H new ATOM 0 HG3 LYS A 38 2.368 -14.013 7.736 1.00 0.00 H new ATOM 0 HD2 LYS A 38 3.436 -16.530 6.423 1.00 0.00 H new ATOM 0 HD3 LYS A 38 4.324 -15.728 7.704 1.00 0.00 H new ATOM 0 HE2 LYS A 38 2.661 -16.152 9.315 1.00 0.00 H new ATOM 0 HE3 LYS A 38 1.401 -16.355 8.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 2.048 -18.469 9.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 2.437 -18.439 7.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 3.658 -18.242 8.584 1.00 0.00 H new ATOM 607 N GLN A 39 0.908 -12.239 7.690 1.00 0.00 N ATOM 608 CA GLN A 39 0.389 -11.721 8.949 1.00 0.00 C ATOM 609 C GLN A 39 -0.766 -10.754 8.706 1.00 0.00 C ATOM 610 O GLN A 39 -1.771 -10.782 9.417 1.00 0.00 O ATOM 611 CB GLN A 39 1.500 -11.020 9.733 1.00 0.00 C ATOM 612 CG GLN A 39 2.355 -11.970 10.556 1.00 0.00 C ATOM 613 CD GLN A 39 2.939 -11.309 11.790 1.00 0.00 C ATOM 614 OE1 GLN A 39 2.486 -11.549 12.910 1.00 0.00 O ATOM 615 NE2 GLN A 39 3.950 -10.471 11.591 1.00 0.00 N ATOM 0 H GLN A 39 1.879 -11.991 7.500 1.00 0.00 H new ATOM 0 HA GLN A 39 0.017 -12.563 9.533 1.00 0.00 H new ATOM 0 HB2 GLN A 39 2.140 -10.480 9.036 1.00 0.00 H new ATOM 0 HB3 GLN A 39 1.054 -10.279 10.396 1.00 0.00 H new ATOM 0 HG2 GLN A 39 1.752 -12.826 10.858 1.00 0.00 H new ATOM 0 HG3 GLN A 39 3.165 -12.353 9.936 1.00 0.00 H new ATOM 0 HE21 GLN A 39 4.294 -10.302 10.646 1.00 0.00 H new ATOM 0 HE22 GLN A 39 4.383 -9.997 12.384 1.00 0.00 H new ATOM 624 N LEU A 40 -0.615 -9.903 7.699 1.00 0.00 N ATOM 625 CA LEU A 40 -1.646 -8.926 7.362 1.00 0.00 C ATOM 626 C LEU A 40 -2.891 -9.616 6.814 1.00 0.00 C ATOM 627 O LEU A 40 -4.008 -9.335 7.245 1.00 0.00 O ATOM 628 CB LEU A 40 -1.111 -7.924 6.336 1.00 0.00 C ATOM 629 CG LEU A 40 -0.188 -6.833 6.883 1.00 0.00 C ATOM 630 CD1 LEU A 40 0.588 -6.177 5.751 1.00 0.00 C ATOM 631 CD2 LEU A 40 -0.989 -5.795 7.656 1.00 0.00 C ATOM 0 H LEU A 40 0.211 -9.868 7.101 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.919 -8.393 8.273 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.572 -8.476 5.566 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.960 -7.444 5.849 1.00 0.00 H new ATOM 0 HG LEU A 40 0.525 -7.294 7.567 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.240 -5.403 6.157 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.191 -6.928 5.240 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.110 -5.729 5.043 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.316 -5.027 8.038 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.725 -5.337 6.995 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.500 -6.277 8.490 1.00 0.00 H new ATOM 643 N ALA A 41 -2.689 -10.522 5.863 1.00 0.00 N ATOM 644 CA ALA A 41 -3.795 -11.255 5.260 1.00 0.00 C ATOM 645 C ALA A 41 -4.850 -11.611 6.300 1.00 0.00 C ATOM 646 O ALA A 41 -6.034 -11.720 5.984 1.00 0.00 O ATOM 647 CB ALA A 41 -3.282 -12.513 4.574 1.00 0.00 C ATOM 0 H ALA A 41 -1.770 -10.766 5.494 1.00 0.00 H new ATOM 0 HA ALA A 41 -4.261 -10.611 4.514 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -4.118 -13.051 4.128 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -2.570 -12.238 3.795 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -2.789 -13.152 5.307 1.00 0.00 H new ATOM 653 N GLN A 42 -4.413 -11.791 7.543 1.00 0.00 N ATOM 654 CA GLN A 42 -5.322 -12.135 8.630 1.00 0.00 C ATOM 655 C GLN A 42 -5.898 -10.880 9.276 1.00 0.00 C ATOM 656 O GLN A 42 -7.115 -10.717 9.367 1.00 0.00 O ATOM 657 CB GLN A 42 -4.598 -12.979 9.680 1.00 0.00 C ATOM 658 CG GLN A 42 -4.244 -14.376 9.200 1.00 0.00 C ATOM 659 CD GLN A 42 -4.176 -15.383 10.332 1.00 0.00 C ATOM 660 OE1 GLN A 42 -5.122 -15.524 11.108 1.00 0.00 O ATOM 661 NE2 GLN A 42 -3.057 -16.090 10.432 1.00 0.00 N ATOM 0 H GLN A 42 -3.436 -11.704 7.822 1.00 0.00 H new ATOM 0 HA GLN A 42 -6.145 -12.715 8.213 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -3.685 -12.465 9.980 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -5.226 -13.057 10.567 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -4.985 -14.704 8.471 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -3.283 -14.347 8.687 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -2.298 -15.940 9.767 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -2.956 -16.783 11.174 1.00 0.00 H new ATOM 670 N LYS A 43 -5.016 -9.994 9.726 1.00 0.00 N ATOM 671 CA LYS A 43 -5.435 -8.752 10.364 1.00 0.00 C ATOM 672 C LYS A 43 -6.449 -8.010 9.497 1.00 0.00 C ATOM 673 O LYS A 43 -7.155 -7.120 9.973 1.00 0.00 O ATOM 674 CB LYS A 43 -4.223 -7.856 10.630 1.00 0.00 C ATOM 675 CG LYS A 43 -3.269 -8.418 11.669 1.00 0.00 C ATOM 676 CD LYS A 43 -2.179 -7.419 12.024 1.00 0.00 C ATOM 677 CE LYS A 43 -1.025 -8.089 12.755 1.00 0.00 C ATOM 678 NZ LYS A 43 -1.380 -8.424 14.161 1.00 0.00 N ATOM 0 H LYS A 43 -4.005 -10.113 9.660 1.00 0.00 H new ATOM 0 HA LYS A 43 -5.909 -9.002 11.313 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -3.682 -7.704 9.696 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -4.571 -6.877 10.960 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.825 -8.686 12.568 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -2.815 -9.334 11.290 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -1.809 -6.945 11.115 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -2.597 -6.629 12.648 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -0.739 -8.998 12.226 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -0.158 -7.429 12.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -0.568 -8.879 14.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -1.629 -7.554 14.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -2.192 -9.074 14.169 1.00 0.00 H new ATOM 692 N THR A 44 -6.515 -8.383 8.223 1.00 0.00 N ATOM 693 CA THR A 44 -7.441 -7.752 7.290 1.00 0.00 C ATOM 694 C THR A 44 -8.348 -8.787 6.634 1.00 0.00 C ATOM 695 O THR A 44 -9.527 -8.531 6.395 1.00 0.00 O ATOM 696 CB THR A 44 -6.692 -6.973 6.194 1.00 0.00 C ATOM 697 OG1 THR A 44 -5.948 -7.879 5.371 1.00 0.00 O ATOM 698 CG2 THR A 44 -5.751 -5.947 6.806 1.00 0.00 C ATOM 0 H THR A 44 -5.939 -9.118 7.814 1.00 0.00 H new ATOM 0 HA THR A 44 -8.047 -7.055 7.868 1.00 0.00 H new ATOM 0 HB THR A 44 -7.428 -6.449 5.584 1.00 0.00 H new ATOM 0 HG1 THR A 44 -5.318 -8.384 5.927 1.00 0.00 H new ATOM 0 HG21 THR A 44 -5.233 -5.409 6.012 1.00 0.00 H new ATOM 0 HG22 THR A 44 -6.324 -5.242 7.408 1.00 0.00 H new ATOM 0 HG23 THR A 44 -5.021 -6.454 7.437 1.00 0.00 H new ATOM 706 N GLY A 45 -7.790 -9.959 6.345 1.00 0.00 N ATOM 707 CA GLY A 45 -8.564 -11.014 5.719 1.00 0.00 C ATOM 708 C GLY A 45 -8.236 -11.180 4.247 1.00 0.00 C ATOM 709 O GLY A 45 -8.432 -12.253 3.677 1.00 0.00 O ATOM 0 H GLY A 45 -6.816 -10.196 6.533 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -8.377 -11.954 6.238 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -9.626 -10.795 5.829 1.00 0.00 H new ATOM 713 N LEU A 46 -7.738 -10.113 3.631 1.00 0.00 N ATOM 714 CA LEU A 46 -7.384 -10.143 2.217 1.00 0.00 C ATOM 715 C LEU A 46 -6.387 -11.261 1.928 1.00 0.00 C ATOM 716 O LEU A 46 -5.882 -11.910 2.845 1.00 0.00 O ATOM 717 CB LEU A 46 -6.796 -8.798 1.789 1.00 0.00 C ATOM 718 CG LEU A 46 -7.622 -7.561 2.142 1.00 0.00 C ATOM 719 CD1 LEU A 46 -6.854 -6.292 1.810 1.00 0.00 C ATOM 720 CD2 LEU A 46 -8.957 -7.585 1.411 1.00 0.00 C ATOM 0 H LEU A 46 -7.571 -9.217 4.089 1.00 0.00 H new ATOM 0 HA LEU A 46 -8.292 -10.334 1.645 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -5.811 -8.694 2.243 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -6.649 -8.816 0.709 1.00 0.00 H new ATOM 0 HG LEU A 46 -7.816 -7.572 3.214 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -7.459 -5.423 2.068 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -5.925 -6.270 2.379 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -6.627 -6.272 0.744 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -9.532 -6.697 1.674 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -8.783 -7.599 0.335 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -9.514 -8.476 1.700 1.00 0.00 H new ATOM 732 N THR A 47 -6.105 -11.481 0.648 1.00 0.00 N ATOM 733 CA THR A 47 -5.169 -12.519 0.238 1.00 0.00 C ATOM 734 C THR A 47 -3.807 -11.927 -0.106 1.00 0.00 C ATOM 735 O THR A 47 -3.707 -10.770 -0.515 1.00 0.00 O ATOM 736 CB THR A 47 -5.696 -13.304 -0.978 1.00 0.00 C ATOM 737 OG1 THR A 47 -4.920 -14.492 -1.169 1.00 0.00 O ATOM 738 CG2 THR A 47 -5.644 -12.451 -2.236 1.00 0.00 C ATOM 0 H THR A 47 -6.513 -10.953 -0.124 1.00 0.00 H new ATOM 0 HA THR A 47 -5.064 -13.200 1.083 1.00 0.00 H new ATOM 0 HB THR A 47 -6.734 -13.576 -0.785 1.00 0.00 H new ATOM 0 HG1 THR A 47 -5.263 -14.986 -1.943 1.00 0.00 H new ATOM 0 HG21 THR A 47 -6.021 -13.026 -3.082 1.00 0.00 H new ATOM 0 HG22 THR A 47 -6.260 -11.562 -2.099 1.00 0.00 H new ATOM 0 HG23 THR A 47 -4.614 -12.152 -2.431 1.00 0.00 H new ATOM 746 N LYS A 48 -2.759 -12.726 0.062 1.00 0.00 N ATOM 747 CA LYS A 48 -1.402 -12.282 -0.231 1.00 0.00 C ATOM 748 C LYS A 48 -1.372 -11.422 -1.490 1.00 0.00 C ATOM 749 O LYS A 48 -0.742 -10.365 -1.517 1.00 0.00 O ATOM 750 CB LYS A 48 -0.474 -13.487 -0.402 1.00 0.00 C ATOM 751 CG LYS A 48 0.986 -13.176 -0.122 1.00 0.00 C ATOM 752 CD LYS A 48 1.729 -14.400 0.387 1.00 0.00 C ATOM 753 CE LYS A 48 3.225 -14.144 0.481 1.00 0.00 C ATOM 754 NZ LYS A 48 3.884 -14.212 -0.852 1.00 0.00 N ATOM 0 H LYS A 48 -2.824 -13.686 0.400 1.00 0.00 H new ATOM 0 HA LYS A 48 -1.054 -11.680 0.608 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -0.801 -14.284 0.265 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -0.567 -13.865 -1.420 1.00 0.00 H new ATOM 0 HG2 LYS A 48 1.463 -12.812 -1.032 1.00 0.00 H new ATOM 0 HG3 LYS A 48 1.054 -12.376 0.615 1.00 0.00 H new ATOM 0 HD2 LYS A 48 1.344 -14.679 1.368 1.00 0.00 H new ATOM 0 HD3 LYS A 48 1.544 -15.243 -0.279 1.00 0.00 H new ATOM 0 HE2 LYS A 48 3.398 -13.162 0.922 1.00 0.00 H new ATOM 0 HE3 LYS A 48 3.678 -14.878 1.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 4.903 -14.032 -0.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 3.740 -15.157 -1.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 3.470 -13.495 -1.481 1.00 0.00 H new ATOM 768 N ARG A 49 -2.058 -11.882 -2.532 1.00 0.00 N ATOM 769 CA ARG A 49 -2.110 -11.154 -3.794 1.00 0.00 C ATOM 770 C ARG A 49 -2.678 -9.752 -3.591 1.00 0.00 C ATOM 771 O ARG A 49 -1.973 -8.755 -3.753 1.00 0.00 O ATOM 772 CB ARG A 49 -2.959 -11.917 -4.813 1.00 0.00 C ATOM 773 CG ARG A 49 -2.813 -11.400 -6.236 1.00 0.00 C ATOM 774 CD ARG A 49 -1.533 -11.905 -6.883 1.00 0.00 C ATOM 775 NE ARG A 49 -1.726 -13.192 -7.547 1.00 0.00 N ATOM 776 CZ ARG A 49 -2.546 -13.372 -8.575 1.00 0.00 C ATOM 777 NH1 ARG A 49 -3.245 -12.354 -9.056 1.00 0.00 N ATOM 778 NH2 ARG A 49 -2.668 -14.574 -9.126 1.00 0.00 N ATOM 0 H ARG A 49 -2.585 -12.755 -2.527 1.00 0.00 H new ATOM 0 HA ARG A 49 -1.092 -11.063 -4.174 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -2.682 -12.971 -4.788 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -4.007 -11.856 -4.519 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -3.671 -11.716 -6.829 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -2.814 -10.310 -6.230 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -1.180 -11.172 -7.609 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -0.757 -12.002 -6.124 1.00 0.00 H new ATOM 0 HE ARG A 49 -1.202 -13.996 -7.202 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -3.154 -11.429 -8.636 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -3.874 -12.496 -9.846 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -2.131 -15.360 -8.759 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -3.298 -14.711 -9.916 1.00 0.00 H new ATOM 792 N VAL A 50 -3.957 -9.684 -3.234 1.00 0.00 N ATOM 793 CA VAL A 50 -4.620 -8.405 -3.009 1.00 0.00 C ATOM 794 C VAL A 50 -3.701 -7.430 -2.281 1.00 0.00 C ATOM 795 O VAL A 50 -3.444 -6.325 -2.760 1.00 0.00 O ATOM 796 CB VAL A 50 -5.914 -8.580 -2.192 1.00 0.00 C ATOM 797 CG1 VAL A 50 -6.476 -7.227 -1.783 1.00 0.00 C ATOM 798 CG2 VAL A 50 -6.941 -9.375 -2.985 1.00 0.00 C ATOM 0 H VAL A 50 -4.554 -10.499 -3.095 1.00 0.00 H new ATOM 0 HA VAL A 50 -4.870 -8.001 -3.990 1.00 0.00 H new ATOM 0 HB VAL A 50 -5.677 -9.137 -1.285 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -7.390 -7.372 -1.207 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -5.743 -6.698 -1.174 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -6.698 -6.641 -2.675 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -7.849 -9.489 -2.393 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -7.175 -8.847 -3.910 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -6.536 -10.359 -3.221 1.00 0.00 H new ATOM 808 N LEU A 51 -3.206 -7.847 -1.120 1.00 0.00 N ATOM 809 CA LEU A 51 -2.314 -7.011 -0.324 1.00 0.00 C ATOM 810 C LEU A 51 -1.126 -6.539 -1.155 1.00 0.00 C ATOM 811 O LEU A 51 -0.862 -5.341 -1.255 1.00 0.00 O ATOM 812 CB LEU A 51 -1.820 -7.781 0.902 1.00 0.00 C ATOM 813 CG LEU A 51 -2.898 -8.250 1.879 1.00 0.00 C ATOM 814 CD1 LEU A 51 -2.309 -9.200 2.910 1.00 0.00 C ATOM 815 CD2 LEU A 51 -3.554 -7.059 2.562 1.00 0.00 C ATOM 0 H LEU A 51 -3.407 -8.759 -0.709 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.874 -6.136 0.006 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.265 -8.654 0.559 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.117 -7.149 1.444 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.662 -8.787 1.316 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -3.092 -9.523 3.596 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.888 -10.069 2.405 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.524 -8.690 3.469 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -4.319 -7.412 3.254 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.801 -6.494 3.111 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -4.013 -6.416 1.811 1.00 0.00 H new ATOM 827 N GLN A 52 -0.412 -7.489 -1.751 1.00 0.00 N ATOM 828 CA GLN A 52 0.747 -7.169 -2.575 1.00 0.00 C ATOM 829 C GLN A 52 0.421 -6.058 -3.567 1.00 0.00 C ATOM 830 O GLN A 52 1.132 -5.056 -3.651 1.00 0.00 O ATOM 831 CB GLN A 52 1.226 -8.414 -3.324 1.00 0.00 C ATOM 832 CG GLN A 52 2.204 -9.265 -2.530 1.00 0.00 C ATOM 833 CD GLN A 52 3.601 -8.676 -2.502 1.00 0.00 C ATOM 834 OE1 GLN A 52 4.355 -8.794 -3.468 1.00 0.00 O ATOM 835 NE2 GLN A 52 3.953 -8.037 -1.393 1.00 0.00 N ATOM 0 H GLN A 52 -0.616 -8.486 -1.678 1.00 0.00 H new ATOM 0 HA GLN A 52 1.543 -6.820 -1.917 1.00 0.00 H new ATOM 0 HB2 GLN A 52 0.362 -9.022 -3.590 1.00 0.00 H new ATOM 0 HB3 GLN A 52 1.699 -8.107 -4.257 1.00 0.00 H new ATOM 0 HG2 GLN A 52 1.839 -9.374 -1.509 1.00 0.00 H new ATOM 0 HG3 GLN A 52 2.244 -10.265 -2.962 1.00 0.00 H new ATOM 0 HE21 GLN A 52 3.296 -7.963 -0.616 1.00 0.00 H new ATOM 0 HE22 GLN A 52 4.881 -7.620 -1.317 1.00 0.00 H new ATOM 844 N VAL A 53 -0.659 -6.242 -4.320 1.00 0.00 N ATOM 845 CA VAL A 53 -1.081 -5.255 -5.306 1.00 0.00 C ATOM 846 C VAL A 53 -1.355 -3.905 -4.651 1.00 0.00 C ATOM 847 O VAL A 53 -0.670 -2.921 -4.924 1.00 0.00 O ATOM 848 CB VAL A 53 -2.345 -5.715 -6.056 1.00 0.00 C ATOM 849 CG1 VAL A 53 -2.743 -4.693 -7.109 1.00 0.00 C ATOM 850 CG2 VAL A 53 -2.122 -7.082 -6.686 1.00 0.00 C ATOM 0 H VAL A 53 -1.258 -7.066 -4.266 1.00 0.00 H new ATOM 0 HA VAL A 53 -0.263 -5.150 -6.018 1.00 0.00 H new ATOM 0 HB VAL A 53 -3.162 -5.799 -5.339 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -3.638 -5.035 -7.628 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -2.946 -3.736 -6.629 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -1.931 -4.574 -7.826 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -3.025 -7.392 -7.212 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -1.292 -7.027 -7.391 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -1.889 -7.808 -5.907 1.00 0.00 H new ATOM 860 N TRP A 54 -2.363 -3.868 -3.786 1.00 0.00 N ATOM 861 CA TRP A 54 -2.727 -2.639 -3.090 1.00 0.00 C ATOM 862 C TRP A 54 -1.485 -1.854 -2.684 1.00 0.00 C ATOM 863 O TRP A 54 -1.340 -0.682 -3.030 1.00 0.00 O ATOM 864 CB TRP A 54 -3.570 -2.959 -1.854 1.00 0.00 C ATOM 865 CG TRP A 54 -4.002 -1.740 -1.098 1.00 0.00 C ATOM 866 CD1 TRP A 54 -5.183 -1.068 -1.233 1.00 0.00 C ATOM 867 CD2 TRP A 54 -3.255 -1.047 -0.092 1.00 0.00 C ATOM 868 NE1 TRP A 54 -5.216 0.002 -0.369 1.00 0.00 N ATOM 869 CE2 TRP A 54 -4.046 0.036 0.342 1.00 0.00 C ATOM 870 CE3 TRP A 54 -1.998 -1.236 0.487 1.00 0.00 C ATOM 871 CZ2 TRP A 54 -3.617 0.924 1.325 1.00 0.00 C ATOM 872 CZ3 TRP A 54 -1.574 -0.354 1.464 1.00 0.00 C ATOM 873 CH2 TRP A 54 -2.382 0.714 1.874 1.00 0.00 C ATOM 0 H TRP A 54 -2.942 -4.674 -3.550 1.00 0.00 H new ATOM 0 HA TRP A 54 -3.314 -2.025 -3.773 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -4.453 -3.520 -2.161 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -2.997 -3.606 -1.190 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -5.974 -1.337 -1.917 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -5.987 0.663 -0.273 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -1.368 -2.057 0.177 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -4.237 1.749 1.643 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -0.604 -0.491 1.918 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -2.022 1.386 2.640 1.00 0.00 H new ATOM 884 N PHE A 55 -0.592 -2.507 -1.948 1.00 0.00 N ATOM 885 CA PHE A 55 0.638 -1.868 -1.495 1.00 0.00 C ATOM 886 C PHE A 55 1.431 -1.314 -2.674 1.00 0.00 C ATOM 887 O PHE A 55 1.865 -0.163 -2.658 1.00 0.00 O ATOM 888 CB PHE A 55 1.496 -2.865 -0.712 1.00 0.00 C ATOM 889 CG PHE A 55 1.206 -2.879 0.762 1.00 0.00 C ATOM 890 CD1 PHE A 55 0.124 -3.586 1.260 1.00 0.00 C ATOM 891 CD2 PHE A 55 2.014 -2.185 1.647 1.00 0.00 C ATOM 892 CE1 PHE A 55 -0.146 -3.602 2.616 1.00 0.00 C ATOM 893 CE2 PHE A 55 1.749 -2.197 3.004 1.00 0.00 C ATOM 894 CZ PHE A 55 0.667 -2.905 3.488 1.00 0.00 C ATOM 0 H PHE A 55 -0.697 -3.478 -1.653 1.00 0.00 H new ATOM 0 HA PHE A 55 0.367 -1.039 -0.842 1.00 0.00 H new ATOM 0 HB2 PHE A 55 1.336 -3.865 -1.115 1.00 0.00 H new ATOM 0 HB3 PHE A 55 2.548 -2.625 -0.865 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -0.516 -4.131 0.582 1.00 0.00 H new ATOM 0 HD2 PHE A 55 2.861 -1.628 1.273 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -0.991 -4.159 2.993 1.00 0.00 H new ATOM 0 HE2 PHE A 55 2.388 -1.653 3.684 1.00 0.00 H new ATOM 0 HZ PHE A 55 0.457 -2.914 4.547 1.00 0.00 H new ATOM 904 N GLN A 56 1.615 -2.143 -3.697 1.00 0.00 N ATOM 905 CA GLN A 56 2.356 -1.736 -4.885 1.00 0.00 C ATOM 906 C GLN A 56 1.743 -0.487 -5.508 1.00 0.00 C ATOM 907 O GLN A 56 2.454 0.379 -6.016 1.00 0.00 O ATOM 908 CB GLN A 56 2.382 -2.872 -5.910 1.00 0.00 C ATOM 909 CG GLN A 56 3.361 -3.982 -5.562 1.00 0.00 C ATOM 910 CD GLN A 56 3.110 -5.250 -6.355 1.00 0.00 C ATOM 911 OE1 GLN A 56 2.791 -5.200 -7.543 1.00 0.00 O ATOM 912 NE2 GLN A 56 3.253 -6.396 -5.699 1.00 0.00 N ATOM 0 H GLN A 56 1.262 -3.099 -3.727 1.00 0.00 H new ATOM 0 HA GLN A 56 3.378 -1.505 -4.583 1.00 0.00 H new ATOM 0 HB2 GLN A 56 1.381 -3.295 -5.997 1.00 0.00 H new ATOM 0 HB3 GLN A 56 2.641 -2.463 -6.887 1.00 0.00 H new ATOM 0 HG2 GLN A 56 4.378 -3.636 -5.748 1.00 0.00 H new ATOM 0 HG3 GLN A 56 3.290 -4.204 -4.497 1.00 0.00 H new ATOM 0 HE21 GLN A 56 3.519 -6.390 -4.714 1.00 0.00 H new ATOM 0 HE22 GLN A 56 3.097 -7.282 -6.180 1.00 0.00 H new ATOM 921 N ASN A 57 0.417 -0.401 -5.468 1.00 0.00 N ATOM 922 CA ASN A 57 -0.293 0.741 -6.030 1.00 0.00 C ATOM 923 C ASN A 57 -0.030 2.001 -5.212 1.00 0.00 C ATOM 924 O ASN A 57 -0.045 3.112 -5.742 1.00 0.00 O ATOM 925 CB ASN A 57 -1.796 0.459 -6.084 1.00 0.00 C ATOM 926 CG ASN A 57 -2.203 -0.270 -7.350 1.00 0.00 C ATOM 927 OD1 ASN A 57 -1.778 0.087 -8.449 1.00 0.00 O ATOM 928 ND2 ASN A 57 -3.032 -1.297 -7.200 1.00 0.00 N ATOM 0 H ASN A 57 -0.187 -1.110 -5.052 1.00 0.00 H new ATOM 0 HA ASN A 57 0.076 0.903 -7.043 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -2.082 -0.137 -5.217 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -2.342 1.400 -6.019 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -3.342 -1.826 -8.015 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -3.359 -1.557 -6.269 1.00 0.00 H new ATOM 935 N ALA A 58 0.213 1.820 -3.918 1.00 0.00 N ATOM 936 CA ALA A 58 0.481 2.942 -3.027 1.00 0.00 C ATOM 937 C ALA A 58 1.799 3.622 -3.383 1.00 0.00 C ATOM 938 O ALA A 58 1.860 4.844 -3.520 1.00 0.00 O ATOM 939 CB ALA A 58 0.502 2.472 -1.580 1.00 0.00 C ATOM 0 H ALA A 58 0.230 0.907 -3.463 1.00 0.00 H new ATOM 0 HA ALA A 58 -0.319 3.672 -3.150 1.00 0.00 H new ATOM 0 HB1 ALA A 58 0.703 3.320 -0.925 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -0.464 2.037 -1.325 1.00 0.00 H new ATOM 0 HB3 ALA A 58 1.282 1.722 -1.452 1.00 0.00 H new ATOM 945 N ARG A 59 2.851 2.823 -3.532 1.00 0.00 N ATOM 946 CA ARG A 59 4.167 3.348 -3.872 1.00 0.00 C ATOM 947 C ARG A 59 4.085 4.292 -5.068 1.00 0.00 C ATOM 948 O ARG A 59 4.973 5.115 -5.285 1.00 0.00 O ATOM 949 CB ARG A 59 5.134 2.203 -4.178 1.00 0.00 C ATOM 950 CG ARG A 59 5.873 1.686 -2.954 1.00 0.00 C ATOM 951 CD ARG A 59 7.132 0.927 -3.342 1.00 0.00 C ATOM 952 NE ARG A 59 6.840 -0.445 -3.747 1.00 0.00 N ATOM 953 CZ ARG A 59 7.776 -1.327 -4.084 1.00 0.00 C ATOM 954 NH1 ARG A 59 9.055 -0.981 -4.062 1.00 0.00 N ATOM 955 NH2 ARG A 59 7.432 -2.558 -4.441 1.00 0.00 N ATOM 0 H ARG A 59 2.817 1.809 -3.422 1.00 0.00 H new ATOM 0 HA ARG A 59 4.538 3.908 -3.014 1.00 0.00 H new ATOM 0 HB2 ARG A 59 4.579 1.381 -4.631 1.00 0.00 H new ATOM 0 HB3 ARG A 59 5.862 2.541 -4.916 1.00 0.00 H new ATOM 0 HG2 ARG A 59 6.136 2.522 -2.307 1.00 0.00 H new ATOM 0 HG3 ARG A 59 5.216 1.033 -2.380 1.00 0.00 H new ATOM 0 HD2 ARG A 59 7.632 1.448 -4.159 1.00 0.00 H new ATOM 0 HD3 ARG A 59 7.824 0.917 -2.500 1.00 0.00 H new ATOM 0 HE ARG A 59 5.865 -0.743 -3.773 1.00 0.00 H new ATOM 0 HH11 ARG A 59 9.323 -0.036 -3.786 1.00 0.00 H new ATOM 0 HH12 ARG A 59 9.771 -1.659 -4.321 1.00 0.00 H new ATOM 0 HH21 ARG A 59 6.449 -2.828 -4.457 1.00 0.00 H new ATOM 0 HH22 ARG A 59 8.151 -3.234 -4.699 1.00 0.00 H new ATOM 969 N ALA A 60 3.012 4.166 -5.842 1.00 0.00 N ATOM 970 CA ALA A 60 2.812 5.007 -7.015 1.00 0.00 C ATOM 971 C ALA A 60 2.292 6.385 -6.620 1.00 0.00 C ATOM 972 O ALA A 60 2.880 7.407 -6.974 1.00 0.00 O ATOM 973 CB ALA A 60 1.853 4.337 -7.989 1.00 0.00 C ATOM 0 H ALA A 60 2.267 3.489 -5.677 1.00 0.00 H new ATOM 0 HA ALA A 60 3.776 5.138 -7.506 1.00 0.00 H new ATOM 0 HB1 ALA A 60 1.713 4.977 -8.860 1.00 0.00 H new ATOM 0 HB2 ALA A 60 2.266 3.379 -8.305 1.00 0.00 H new ATOM 0 HB3 ALA A 60 0.892 4.175 -7.500 1.00 0.00 H new ATOM 979 N LYS A 61 1.185 6.405 -5.886 1.00 0.00 N ATOM 980 CA LYS A 61 0.584 7.657 -5.442 1.00 0.00 C ATOM 981 C LYS A 61 1.527 8.412 -4.510 1.00 0.00 C ATOM 982 O LYS A 61 1.552 9.643 -4.500 1.00 0.00 O ATOM 983 CB LYS A 61 -0.744 7.386 -4.733 1.00 0.00 C ATOM 984 CG LYS A 61 -0.600 7.162 -3.237 1.00 0.00 C ATOM 985 CD LYS A 61 -1.953 7.022 -2.561 1.00 0.00 C ATOM 986 CE LYS A 61 -1.807 6.680 -1.086 1.00 0.00 C ATOM 987 NZ LYS A 61 -1.534 7.889 -0.260 1.00 0.00 N ATOM 0 H LYS A 61 0.685 5.568 -5.586 1.00 0.00 H new ATOM 0 HA LYS A 61 0.399 8.275 -6.321 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -1.415 8.228 -4.903 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -1.213 6.509 -5.180 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -0.008 6.264 -3.058 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -0.056 7.996 -2.794 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -2.511 7.952 -2.666 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -2.532 6.245 -3.060 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -2.719 6.198 -0.733 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -0.997 5.962 -0.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -1.441 7.614 0.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -0.651 8.336 -0.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -2.319 8.563 -0.361 1.00 0.00 H new ATOM 1001 N PHE A 62 2.301 7.667 -3.728 1.00 0.00 N ATOM 1002 CA PHE A 62 3.245 8.266 -2.792 1.00 0.00 C ATOM 1003 C PHE A 62 4.143 9.278 -3.499 1.00 0.00 C ATOM 1004 O PHE A 62 4.232 10.436 -3.091 1.00 0.00 O ATOM 1005 CB PHE A 62 4.100 7.182 -2.132 1.00 0.00 C ATOM 1006 CG PHE A 62 5.041 7.713 -1.090 1.00 0.00 C ATOM 1007 CD1 PHE A 62 6.316 8.131 -1.437 1.00 0.00 C ATOM 1008 CD2 PHE A 62 4.652 7.794 0.238 1.00 0.00 C ATOM 1009 CE1 PHE A 62 7.185 8.619 -0.478 1.00 0.00 C ATOM 1010 CE2 PHE A 62 5.516 8.282 1.200 1.00 0.00 C ATOM 1011 CZ PHE A 62 6.783 8.695 0.841 1.00 0.00 C ATOM 0 H PHE A 62 2.293 6.647 -3.724 1.00 0.00 H new ATOM 0 HA PHE A 62 2.675 8.787 -2.023 1.00 0.00 H new ATOM 0 HB2 PHE A 62 3.444 6.442 -1.674 1.00 0.00 H new ATOM 0 HB3 PHE A 62 4.675 6.666 -2.901 1.00 0.00 H new ATOM 0 HD1 PHE A 62 6.634 8.075 -2.467 1.00 0.00 H new ATOM 0 HD2 PHE A 62 3.662 7.472 0.524 1.00 0.00 H new ATOM 0 HE1 PHE A 62 8.177 8.940 -0.760 1.00 0.00 H new ATOM 0 HE2 PHE A 62 5.200 8.340 2.231 1.00 0.00 H new ATOM 0 HZ PHE A 62 7.460 9.077 1.591 1.00 0.00 H new ATOM 1021 N ARG A 63 4.807 8.831 -4.560 1.00 0.00 N ATOM 1022 CA ARG A 63 5.699 9.696 -5.322 1.00 0.00 C ATOM 1023 C ARG A 63 5.098 11.089 -5.487 1.00 0.00 C ATOM 1024 O ARG A 63 5.762 12.096 -5.240 1.00 0.00 O ATOM 1025 CB ARG A 63 5.983 9.087 -6.697 1.00 0.00 C ATOM 1026 CG ARG A 63 7.094 8.049 -6.685 1.00 0.00 C ATOM 1027 CD ARG A 63 7.181 7.312 -8.013 1.00 0.00 C ATOM 1028 NE ARG A 63 8.112 6.189 -7.955 1.00 0.00 N ATOM 1029 CZ ARG A 63 8.281 5.322 -8.947 1.00 0.00 C ATOM 1030 NH1 ARG A 63 7.585 5.449 -10.068 1.00 0.00 N ATOM 1031 NH2 ARG A 63 9.147 4.326 -8.819 1.00 0.00 N ATOM 0 H ARG A 63 4.744 7.875 -4.911 1.00 0.00 H new ATOM 0 HA ARG A 63 6.635 9.786 -4.770 1.00 0.00 H new ATOM 0 HB2 ARG A 63 5.071 8.626 -7.077 1.00 0.00 H new ATOM 0 HB3 ARG A 63 6.250 9.885 -7.390 1.00 0.00 H new ATOM 0 HG2 ARG A 63 8.046 8.536 -6.475 1.00 0.00 H new ATOM 0 HG3 ARG A 63 6.917 7.334 -5.882 1.00 0.00 H new ATOM 0 HD2 ARG A 63 6.192 6.949 -8.292 1.00 0.00 H new ATOM 0 HD3 ARG A 63 7.497 8.005 -8.792 1.00 0.00 H new ATOM 0 HE ARG A 63 8.663 6.063 -7.106 1.00 0.00 H new ATOM 0 HH11 ARG A 63 6.918 6.214 -10.170 1.00 0.00 H new ATOM 0 HH12 ARG A 63 7.717 4.782 -10.828 1.00 0.00 H new ATOM 0 HH21 ARG A 63 9.684 4.225 -7.958 1.00 0.00 H new ATOM 0 HH22 ARG A 63 9.276 3.661 -9.582 1.00 0.00 H new ATOM 1045 N ARG A 64 3.837 11.138 -5.904 1.00 0.00 N ATOM 1046 CA ARG A 64 3.147 12.407 -6.102 1.00 0.00 C ATOM 1047 C ARG A 64 3.404 13.355 -4.934 1.00 0.00 C ATOM 1048 O ARG A 64 3.831 14.492 -5.128 1.00 0.00 O ATOM 1049 CB ARG A 64 1.643 12.175 -6.261 1.00 0.00 C ATOM 1050 CG ARG A 64 0.936 13.273 -7.039 1.00 0.00 C ATOM 1051 CD ARG A 64 -0.572 13.194 -6.868 1.00 0.00 C ATOM 1052 NE ARG A 64 -1.249 14.358 -7.433 1.00 0.00 N ATOM 1053 CZ ARG A 64 -2.568 14.453 -7.558 1.00 0.00 C ATOM 1054 NH1 ARG A 64 -3.348 13.458 -7.160 1.00 0.00 N ATOM 1055 NH2 ARG A 64 -3.109 15.545 -8.083 1.00 0.00 N ATOM 0 H ARG A 64 3.273 10.314 -6.111 1.00 0.00 H new ATOM 0 HA ARG A 64 3.536 12.864 -7.012 1.00 0.00 H new ATOM 0 HB2 ARG A 64 1.482 11.222 -6.766 1.00 0.00 H new ATOM 0 HB3 ARG A 64 1.190 12.092 -5.273 1.00 0.00 H new ATOM 0 HG2 ARG A 64 1.291 14.246 -6.701 1.00 0.00 H new ATOM 0 HG3 ARG A 64 1.188 13.191 -8.096 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -0.944 12.289 -7.349 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -0.813 13.114 -5.808 1.00 0.00 H new ATOM 0 HE ARG A 64 -0.677 15.141 -7.749 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -2.936 12.617 -6.757 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -4.361 13.534 -7.257 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -2.512 16.312 -8.391 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -4.122 15.617 -8.179 1.00 0.00 H new ATOM 1069 N ASN A 65 3.141 12.876 -3.721 1.00 0.00 N ATOM 1070 CA ASN A 65 3.343 13.681 -2.523 1.00 0.00 C ATOM 1071 C ASN A 65 4.675 14.423 -2.583 1.00 0.00 C ATOM 1072 O ASN A 65 4.724 15.646 -2.445 1.00 0.00 O ATOM 1073 CB ASN A 65 3.296 12.796 -1.275 1.00 0.00 C ATOM 1074 CG ASN A 65 3.049 13.593 -0.009 1.00 0.00 C ATOM 1075 OD1 ASN A 65 3.962 14.211 0.538 1.00 0.00 O ATOM 1076 ND2 ASN A 65 1.808 13.583 0.463 1.00 0.00 N ATOM 0 H ASN A 65 2.788 11.936 -3.543 1.00 0.00 H new ATOM 0 HA ASN A 65 2.540 14.416 -2.471 1.00 0.00 H new ATOM 0 HB2 ASN A 65 2.509 12.051 -1.391 1.00 0.00 H new ATOM 0 HB3 ASN A 65 4.237 12.254 -1.182 1.00 0.00 H new ATOM 0 HD21 ASN A 65 1.581 14.102 1.311 1.00 0.00 H new ATOM 0 HD22 ASN A 65 1.082 13.057 -0.023 1.00 0.00 H new ATOM 1083 N LEU A 66 5.753 13.676 -2.790 1.00 0.00 N ATOM 1084 CA LEU A 66 7.087 14.261 -2.871 1.00 0.00 C ATOM 1085 C LEU A 66 7.095 15.472 -3.798 1.00 0.00 C ATOM 1086 O LEU A 66 7.693 16.503 -3.485 1.00 0.00 O ATOM 1087 CB LEU A 66 8.094 13.221 -3.364 1.00 0.00 C ATOM 1088 CG LEU A 66 8.549 12.186 -2.333 1.00 0.00 C ATOM 1089 CD1 LEU A 66 7.599 10.999 -2.312 1.00 0.00 C ATOM 1090 CD2 LEU A 66 9.971 11.729 -2.629 1.00 0.00 C ATOM 0 H LEU A 66 5.730 12.663 -2.905 1.00 0.00 H new ATOM 0 HA LEU A 66 7.373 14.589 -1.872 1.00 0.00 H new ATOM 0 HB2 LEU A 66 7.656 12.693 -4.211 1.00 0.00 H new ATOM 0 HB3 LEU A 66 8.974 13.745 -3.736 1.00 0.00 H new ATOM 0 HG LEU A 66 8.535 12.652 -1.348 1.00 0.00 H new ATOM 0 HD11 LEU A 66 7.939 10.274 -1.573 1.00 0.00 H new ATOM 0 HD12 LEU A 66 6.597 11.340 -2.052 1.00 0.00 H new ATOM 0 HD13 LEU A 66 7.579 10.531 -3.296 1.00 0.00 H new ATOM 0 HD21 LEU A 66 10.279 10.993 -1.886 1.00 0.00 H new ATOM 0 HD22 LEU A 66 10.010 11.281 -3.622 1.00 0.00 H new ATOM 0 HD23 LEU A 66 10.644 12.586 -2.591 1.00 0.00 H new ATOM 1102 N LEU A 67 6.426 15.342 -4.939 1.00 0.00 N ATOM 1103 CA LEU A 67 6.354 16.427 -5.911 1.00 0.00 C ATOM 1104 C LEU A 67 5.700 17.662 -5.301 1.00 0.00 C ATOM 1105 O LEU A 67 6.050 18.793 -5.640 1.00 0.00 O ATOM 1106 CB LEU A 67 5.572 15.979 -7.147 1.00 0.00 C ATOM 1107 CG LEU A 67 6.168 14.810 -7.932 1.00 0.00 C ATOM 1108 CD1 LEU A 67 5.190 14.320 -8.988 1.00 0.00 C ATOM 1109 CD2 LEU A 67 7.488 15.217 -8.573 1.00 0.00 C ATOM 0 H LEU A 67 5.926 14.496 -5.213 1.00 0.00 H new ATOM 0 HA LEU A 67 7.371 16.686 -6.206 1.00 0.00 H new ATOM 0 HB2 LEU A 67 4.564 15.705 -6.835 1.00 0.00 H new ATOM 0 HB3 LEU A 67 5.476 16.831 -7.820 1.00 0.00 H new ATOM 0 HG LEU A 67 6.360 13.992 -7.238 1.00 0.00 H new ATOM 0 HD11 LEU A 67 5.633 13.488 -9.536 1.00 0.00 H new ATOM 0 HD12 LEU A 67 4.270 13.989 -8.506 1.00 0.00 H new ATOM 0 HD13 LEU A 67 4.965 15.131 -9.680 1.00 0.00 H new ATOM 0 HD21 LEU A 67 7.898 14.373 -9.128 1.00 0.00 H new ATOM 0 HD22 LEU A 67 7.320 16.052 -9.254 1.00 0.00 H new ATOM 0 HD23 LEU A 67 8.192 15.518 -7.797 1.00 0.00 H new ATOM 1121 N ARG A 68 4.750 17.437 -4.399 1.00 0.00 N ATOM 1122 CA ARG A 68 4.047 18.533 -3.741 1.00 0.00 C ATOM 1123 C ARG A 68 3.376 19.442 -4.767 1.00 0.00 C ATOM 1124 O ARG A 68 3.430 20.667 -4.653 1.00 0.00 O ATOM 1125 CB ARG A 68 5.018 19.345 -2.881 1.00 0.00 C ATOM 1126 CG ARG A 68 5.615 18.557 -1.727 1.00 0.00 C ATOM 1127 CD ARG A 68 4.694 18.554 -0.517 1.00 0.00 C ATOM 1128 NE ARG A 68 4.595 19.875 0.098 1.00 0.00 N ATOM 1129 CZ ARG A 68 3.601 20.239 0.900 1.00 0.00 C ATOM 1130 NH1 ARG A 68 2.627 19.385 1.185 1.00 0.00 N ATOM 1131 NH2 ARG A 68 3.580 21.459 1.422 1.00 0.00 N ATOM 0 H ARG A 68 4.449 16.507 -4.107 1.00 0.00 H new ATOM 0 HA ARG A 68 3.275 18.105 -3.101 1.00 0.00 H new ATOM 0 HB2 ARG A 68 5.825 19.717 -3.512 1.00 0.00 H new ATOM 0 HB3 ARG A 68 4.497 20.216 -2.484 1.00 0.00 H new ATOM 0 HG2 ARG A 68 5.803 17.531 -2.045 1.00 0.00 H new ATOM 0 HG3 ARG A 68 6.578 18.987 -1.451 1.00 0.00 H new ATOM 0 HD2 ARG A 68 3.701 18.219 -0.818 1.00 0.00 H new ATOM 0 HD3 ARG A 68 5.063 17.839 0.218 1.00 0.00 H new ATOM 0 HE ARG A 68 5.329 20.555 -0.099 1.00 0.00 H new ATOM 0 HH11 ARG A 68 2.640 18.446 0.788 1.00 0.00 H new ATOM 0 HH12 ARG A 68 1.865 19.668 1.801 1.00 0.00 H new ATOM 0 HH21 ARG A 68 4.328 22.118 1.207 1.00 0.00 H new ATOM 0 HH22 ARG A 68 2.816 21.737 2.038 1.00 0.00 H new ATOM 1145 N GLN A 69 2.745 18.833 -5.765 1.00 0.00 N ATOM 1146 CA GLN A 69 2.064 19.589 -6.811 1.00 0.00 C ATOM 1147 C GLN A 69 0.604 19.832 -6.444 1.00 0.00 C ATOM 1148 O GLN A 69 -0.284 19.723 -7.289 1.00 0.00 O ATOM 1149 CB GLN A 69 2.151 18.846 -8.145 1.00 0.00 C ATOM 1150 CG GLN A 69 2.023 19.754 -9.357 1.00 0.00 C ATOM 1151 CD GLN A 69 1.623 19.001 -10.611 1.00 0.00 C ATOM 1152 OE1 GLN A 69 2.476 18.547 -11.374 1.00 0.00 O ATOM 1153 NE2 GLN A 69 0.322 18.864 -10.829 1.00 0.00 N ATOM 0 H GLN A 69 2.691 17.820 -5.872 1.00 0.00 H new ATOM 0 HA GLN A 69 2.560 20.555 -6.908 1.00 0.00 H new ATOM 0 HB2 GLN A 69 3.103 18.318 -8.196 1.00 0.00 H new ATOM 0 HB3 GLN A 69 1.366 18.091 -8.183 1.00 0.00 H new ATOM 0 HG2 GLN A 69 1.283 20.527 -9.150 1.00 0.00 H new ATOM 0 HG3 GLN A 69 2.973 20.260 -9.529 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -0.350 19.257 -10.169 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -0.007 18.366 -11.656 1.00 0.00 H new ATOM 1162 N GLU A 70 0.364 20.160 -5.178 1.00 0.00 N ATOM 1163 CA GLU A 70 -0.990 20.417 -4.701 1.00 0.00 C ATOM 1164 C GLU A 70 -1.110 21.830 -4.139 1.00 0.00 C ATOM 1165 O GLU A 70 -0.992 22.042 -2.933 1.00 0.00 O ATOM 1166 CB GLU A 70 -1.378 19.396 -3.630 1.00 0.00 C ATOM 1167 CG GLU A 70 -2.879 19.196 -3.495 1.00 0.00 C ATOM 1168 CD GLU A 70 -3.601 20.462 -3.077 1.00 0.00 C ATOM 1169 OE1 GLU A 70 -3.148 21.112 -2.111 1.00 0.00 O ATOM 1170 OE2 GLU A 70 -4.618 20.804 -3.716 1.00 0.00 O ATOM 0 H GLU A 70 1.088 20.254 -4.466 1.00 0.00 H new ATOM 0 HA GLU A 70 -1.670 20.323 -5.547 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -0.912 18.439 -3.866 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -0.975 19.718 -2.670 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -3.283 18.849 -4.446 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -3.073 18.413 -2.762 1.00 0.00 H new ATOM 1177 N ASN A 71 -1.344 22.794 -5.023 1.00 0.00 N ATOM 1178 CA ASN A 71 -1.478 24.189 -4.616 1.00 0.00 C ATOM 1179 C ASN A 71 -2.348 24.310 -3.368 1.00 0.00 C ATOM 1180 O ASN A 71 -3.363 23.626 -3.237 1.00 0.00 O ATOM 1181 CB ASN A 71 -2.080 25.018 -5.753 1.00 0.00 C ATOM 1182 CG ASN A 71 -3.578 24.821 -5.882 1.00 0.00 C ATOM 1183 OD1 ASN A 71 -4.039 23.805 -6.401 1.00 0.00 O ATOM 1184 ND2 ASN A 71 -4.345 25.797 -5.410 1.00 0.00 N ATOM 0 H ASN A 71 -1.445 22.636 -6.026 1.00 0.00 H new ATOM 0 HA ASN A 71 -0.484 24.571 -4.383 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -1.869 26.073 -5.581 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -1.598 24.746 -6.692 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -5.360 25.722 -5.470 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -3.919 26.622 -4.988 1.00 0.00 H new ATOM 1191 N GLY A 72 -1.942 25.185 -2.453 1.00 0.00 N ATOM 1192 CA GLY A 72 -2.696 25.380 -1.229 1.00 0.00 C ATOM 1193 C GLY A 72 -2.122 26.486 -0.365 1.00 0.00 C ATOM 1194 O GLY A 72 -1.323 27.297 -0.832 1.00 0.00 O ATOM 0 H GLY A 72 -1.105 25.762 -2.538 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -3.731 25.617 -1.477 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -2.709 24.449 -0.662 1.00 0.00 H new ATOM 1198 N GLY A 73 -2.531 26.520 0.900 1.00 0.00 N ATOM 1199 CA GLY A 73 -2.043 27.540 1.810 1.00 0.00 C ATOM 1200 C GLY A 73 -0.850 27.073 2.620 1.00 0.00 C ATOM 1201 O GLY A 73 -0.859 27.139 3.848 1.00 0.00 O ATOM 0 H GLY A 73 -3.191 25.860 1.311 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -1.767 28.428 1.241 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -2.846 27.832 2.487 1.00 0.00 H new ATOM 1205 N VAL A 74 0.181 26.594 1.929 1.00 0.00 N ATOM 1206 CA VAL A 74 1.387 26.113 2.592 1.00 0.00 C ATOM 1207 C VAL A 74 2.104 27.245 3.319 1.00 0.00 C ATOM 1208 O VAL A 74 2.629 28.166 2.692 1.00 0.00 O ATOM 1209 CB VAL A 74 2.360 25.468 1.587 1.00 0.00 C ATOM 1210 CG1 VAL A 74 3.631 25.015 2.289 1.00 0.00 C ATOM 1211 CG2 VAL A 74 1.692 24.301 0.873 1.00 0.00 C ATOM 0 H VAL A 74 0.204 26.529 0.911 1.00 0.00 H new ATOM 0 HA VAL A 74 1.071 25.362 3.316 1.00 0.00 H new ATOM 0 HB VAL A 74 2.632 26.215 0.841 1.00 0.00 H new ATOM 0 HG11 VAL A 74 4.306 24.562 1.563 1.00 0.00 H new ATOM 0 HG12 VAL A 74 4.118 25.874 2.750 1.00 0.00 H new ATOM 0 HG13 VAL A 74 3.381 24.284 3.058 1.00 0.00 H new ATOM 0 HG21 VAL A 74 2.393 23.857 0.167 1.00 0.00 H new ATOM 0 HG22 VAL A 74 1.390 23.551 1.605 1.00 0.00 H new ATOM 0 HG23 VAL A 74 0.813 24.658 0.336 1.00 0.00 H new ATOM 1221 N SER A 75 2.122 27.170 4.646 1.00 0.00 N ATOM 1222 CA SER A 75 2.772 28.190 5.461 1.00 0.00 C ATOM 1223 C SER A 75 3.337 27.583 6.741 1.00 0.00 C ATOM 1224 O SER A 75 2.670 26.807 7.422 1.00 0.00 O ATOM 1225 CB SER A 75 1.781 29.304 5.805 1.00 0.00 C ATOM 1226 OG SER A 75 2.452 30.436 6.333 1.00 0.00 O ATOM 0 H SER A 75 1.694 26.414 5.180 1.00 0.00 H new ATOM 0 HA SER A 75 3.596 28.611 4.885 1.00 0.00 H new ATOM 0 HB2 SER A 75 1.225 29.590 4.912 1.00 0.00 H new ATOM 0 HB3 SER A 75 1.053 28.938 6.529 1.00 0.00 H new ATOM 0 HG SER A 75 1.798 31.135 6.544 1.00 0.00 H new ATOM 1232 N GLY A 76 4.576 27.945 7.063 1.00 0.00 N ATOM 1233 CA GLY A 76 5.213 27.429 8.260 1.00 0.00 C ATOM 1234 C GLY A 76 6.531 28.115 8.559 1.00 0.00 C ATOM 1235 O GLY A 76 6.817 29.202 8.056 1.00 0.00 O ATOM 0 H GLY A 76 5.149 28.587 6.515 1.00 0.00 H new ATOM 0 HA2 GLY A 76 4.541 27.556 9.109 1.00 0.00 H new ATOM 0 HA3 GLY A 76 5.382 26.358 8.145 1.00 0.00 H new ATOM 1239 N PRO A 77 7.358 27.476 9.399 1.00 0.00 N ATOM 1240 CA PRO A 77 8.667 28.015 9.785 1.00 0.00 C ATOM 1241 C PRO A 77 9.663 27.997 8.631 1.00 0.00 C ATOM 1242 O PRO A 77 9.787 26.999 7.920 1.00 0.00 O ATOM 1243 CB PRO A 77 9.123 27.074 10.902 1.00 0.00 C ATOM 1244 CG PRO A 77 8.407 25.795 10.635 1.00 0.00 C ATOM 1245 CD PRO A 77 7.082 26.178 10.037 1.00 0.00 C ATOM 0 HA PRO A 77 8.605 29.060 10.090 1.00 0.00 H new ATOM 0 HB2 PRO A 77 10.204 26.934 10.885 1.00 0.00 H new ATOM 0 HB3 PRO A 77 8.869 27.473 11.884 1.00 0.00 H new ATOM 0 HG2 PRO A 77 8.976 25.165 9.951 1.00 0.00 H new ATOM 0 HG3 PRO A 77 8.270 25.225 11.554 1.00 0.00 H new ATOM 0 HD2 PRO A 77 6.739 25.439 9.313 1.00 0.00 H new ATOM 0 HD3 PRO A 77 6.307 26.261 10.798 1.00 0.00 H new ATOM 1253 N SER A 78 10.375 29.106 8.452 1.00 0.00 N ATOM 1254 CA SER A 78 11.359 29.217 7.382 1.00 0.00 C ATOM 1255 C SER A 78 12.548 28.296 7.639 1.00 0.00 C ATOM 1256 O SER A 78 12.624 27.637 8.677 1.00 0.00 O ATOM 1257 CB SER A 78 11.840 30.664 7.252 1.00 0.00 C ATOM 1258 OG SER A 78 12.700 31.014 8.322 1.00 0.00 O ATOM 0 H SER A 78 10.288 29.939 9.034 1.00 0.00 H new ATOM 0 HA SER A 78 10.882 28.914 6.450 1.00 0.00 H new ATOM 0 HB2 SER A 78 12.363 30.793 6.304 1.00 0.00 H new ATOM 0 HB3 SER A 78 10.982 31.336 7.237 1.00 0.00 H new ATOM 0 HG SER A 78 12.995 31.942 8.215 1.00 0.00 H new ATOM 1264 N SER A 79 13.473 28.255 6.686 1.00 0.00 N ATOM 1265 CA SER A 79 14.658 27.412 6.807 1.00 0.00 C ATOM 1266 C SER A 79 15.930 28.232 6.617 1.00 0.00 C ATOM 1267 O SER A 79 16.311 28.554 5.493 1.00 0.00 O ATOM 1268 CB SER A 79 14.609 26.278 5.780 1.00 0.00 C ATOM 1269 OG SER A 79 15.798 25.508 5.814 1.00 0.00 O ATOM 0 H SER A 79 13.426 28.795 5.822 1.00 0.00 H new ATOM 0 HA SER A 79 14.670 26.985 7.810 1.00 0.00 H new ATOM 0 HB2 SER A 79 13.751 25.637 5.982 1.00 0.00 H new ATOM 0 HB3 SER A 79 14.469 26.693 4.782 1.00 0.00 H new ATOM 0 HG SER A 79 15.741 24.789 5.150 1.00 0.00 H new ATOM 1275 N GLY A 80 16.583 28.565 7.725 1.00 0.00 N ATOM 1276 CA GLY A 80 17.806 29.345 7.661 1.00 0.00 C ATOM 1277 C GLY A 80 17.583 30.802 8.011 1.00 0.00 C ATOM 1278 O GLY A 80 16.751 31.474 7.403 1.00 0.00 O ATOM 0 H GLY A 80 16.287 28.309 8.667 1.00 0.00 H new ATOM 0 HA2 GLY A 80 18.541 28.919 8.344 1.00 0.00 H new ATOM 0 HA3 GLY A 80 18.225 29.276 6.657 1.00 0.00 H new TER 1282 GLY A 80