USER MOD reduce.3.24.130724 H: found=0, std=0, add=575, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 573 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 62 GLN : amide:sc= -6.99! C(o=-7.6!,f=-13!) USER MOD Set 1.2: A 64 GLN : amide:sc= -0.586! C(o=-7.6!,f=-12!) USER MOD Set 2.1: A 13 LYS NZ :NH3+ -124:sc= -2.95! (180deg=-5.78!) USER MOD Set 2.2: A 54 ASN : amide:sc= -14.1! C(o=-19!,f=-16!) USER MOD Set 2.3: A 55 THR OG1 : rot 161:sc= -2.08 USER MOD Set 3.1: A 38 LYS NZ :NH3+ -143:sc= 0.915 (180deg=-0.475) USER MOD Set 3.2: A 39 TYR OH : rot 151:sc= 0.755 USER MOD Set 4.1: A 27 SER OG : rot 53:sc= 0.728! USER MOD Set 4.2: A 30 THR OG1 : rot 57:sc= 1.93 USER MOD Single : A 1 MET CE :methyl -141:sc= -1.78 (180deg=-5.79!) USER MOD Single : A 1 MET N :NH3+ 158:sc= -0.174 (180deg=-1.15) USER MOD Single : A 4 ASN : amide:sc= -2.23 K(o=-2.2,f=-11!) USER MOD Single : A 5 ASN : amide:sc= -4.02! C(o=-4!,f=-6.3!) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 141:sc= 0.96! (180deg=-1.67!) USER MOD Single : A 16 SER OG : rot -84:sc= 0.417 USER MOD Single : A 17 GLN : amide:sc= -1.41! C(o=-1.4!,f=-3.6!) USER MOD Single : A 18 SER OG : rot 180:sc= -1.64! USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 ASN : amide:sc= -4.05! C(o=-4.1!,f=-7.4!) USER MOD Single : A 36 LYS NZ :NH3+ -169:sc= 0.917! (180deg=0.563) USER MOD Single : A 37 ASN : amide:sc= -5.99! K(o=-6!,f=-1.5) USER MOD Single : A 40 ASN : amide:sc= -4! C(o=-4!,f=-3.6!) USER MOD Single : A 42 SER OG : rot 180:sc= 0.0025 USER MOD Single : A 44 GLN : amide:sc= -9.35! C(o=-9.3!,f=-10!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.114 3.781 -9.485 1.00 0.00 N ATOM 2 CA MET A 1 2.343 4.756 -8.385 1.00 0.00 C ATOM 3 C MET A 1 2.409 4.006 -7.057 1.00 0.00 C ATOM 4 O MET A 1 3.462 3.492 -6.665 1.00 0.00 O ATOM 5 CB MET A 1 1.194 5.789 -8.362 1.00 0.00 C ATOM 6 CG MET A 1 1.440 6.847 -7.275 1.00 0.00 C ATOM 7 SD MET A 1 0.001 7.939 -7.167 1.00 0.00 S ATOM 8 CE MET A 1 0.091 8.614 -8.845 1.00 0.00 C ATOM 0 H1 MET A 1 1.705 4.273 -10.305 1.00 0.00 H new ATOM 0 H2 MET A 1 3.019 3.347 -9.758 1.00 0.00 H new ATOM 0 H3 MET A 1 1.458 3.041 -9.162 1.00 0.00 H new ATOM 0 HA MET A 1 3.284 5.283 -8.545 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.113 6.272 -9.336 1.00 0.00 H new ATOM 0 HB3 MET A 1 0.246 5.283 -8.177 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.617 6.364 -6.314 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.333 7.426 -7.510 1.00 0.00 H new ATOM 0 HE1 MET A 1 -0.157 9.675 -8.824 1.00 0.00 H new ATOM 0 HE2 MET A 1 1.101 8.485 -9.235 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.616 8.089 -9.487 1.00 0.00 H new ATOM 18 N ILE A 2 1.289 3.966 -6.366 1.00 0.00 N ATOM 19 CA ILE A 2 1.198 3.329 -5.071 1.00 0.00 C ATOM 20 C ILE A 2 1.429 1.832 -5.194 1.00 0.00 C ATOM 21 O ILE A 2 2.124 1.224 -4.364 1.00 0.00 O ATOM 22 CB ILE A 2 -0.190 3.597 -4.477 1.00 0.00 C ATOM 23 CG1 ILE A 2 -0.455 5.114 -4.460 1.00 0.00 C ATOM 24 CG2 ILE A 2 -0.274 3.040 -3.050 1.00 0.00 C ATOM 25 CD1 ILE A 2 0.621 5.828 -3.637 1.00 0.00 C ATOM 0 H ILE A 2 0.413 4.376 -6.689 1.00 0.00 H new ATOM 0 HA ILE A 2 1.966 3.740 -4.416 1.00 0.00 H new ATOM 0 HB ILE A 2 -0.942 3.101 -5.091 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -0.461 5.501 -5.479 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -1.440 5.314 -4.037 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -1.265 3.237 -2.640 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -0.096 1.965 -3.068 1.00 0.00 H new ATOM 0 HG23 ILE A 2 0.479 3.522 -2.426 1.00 0.00 H new ATOM 0 HD11 ILE A 2 0.424 6.900 -3.632 1.00 0.00 H new ATOM 0 HD12 ILE A 2 0.606 5.451 -2.614 1.00 0.00 H new ATOM 0 HD13 ILE A 2 1.600 5.642 -4.078 1.00 0.00 H new ATOM 37 N ILE A 3 0.807 1.245 -6.204 1.00 0.00 N ATOM 38 CA ILE A 3 0.824 -0.199 -6.408 1.00 0.00 C ATOM 39 C ILE A 3 0.178 -0.894 -5.196 1.00 0.00 C ATOM 40 O ILE A 3 -0.434 -0.235 -4.350 1.00 0.00 O ATOM 41 CB ILE A 3 2.260 -0.719 -6.630 1.00 0.00 C ATOM 42 CG1 ILE A 3 3.096 0.313 -7.398 1.00 0.00 C ATOM 43 CG2 ILE A 3 2.235 -2.025 -7.439 1.00 0.00 C ATOM 44 CD1 ILE A 3 2.482 0.609 -8.758 1.00 0.00 C ATOM 0 H ILE A 3 0.274 1.756 -6.908 1.00 0.00 H new ATOM 0 HA ILE A 3 0.252 -0.430 -7.306 1.00 0.00 H new ATOM 0 HB ILE A 3 2.705 -0.896 -5.651 1.00 0.00 H new ATOM 0 HG12 ILE A 3 3.166 1.234 -6.818 1.00 0.00 H new ATOM 0 HG13 ILE A 3 4.112 -0.060 -7.527 1.00 0.00 H new ATOM 0 HG21 ILE A 3 3.255 -2.380 -7.588 1.00 0.00 H new ATOM 0 HG22 ILE A 3 1.664 -2.778 -6.896 1.00 0.00 H new ATOM 0 HG23 ILE A 3 1.769 -1.844 -8.407 1.00 0.00 H new ATOM 0 HD11 ILE A 3 3.094 1.343 -9.282 1.00 0.00 H new ATOM 0 HD12 ILE A 3 2.436 -0.309 -9.344 1.00 0.00 H new ATOM 0 HD13 ILE A 3 1.475 1.005 -8.624 1.00 0.00 H new ATOM 56 N ASN A 4 0.242 -2.223 -5.168 1.00 0.00 N ATOM 57 CA ASN A 4 -0.377 -3.028 -4.104 1.00 0.00 C ATOM 58 C ASN A 4 -0.233 -4.503 -4.425 1.00 0.00 C ATOM 59 O ASN A 4 0.384 -5.257 -3.677 1.00 0.00 O ATOM 60 CB ASN A 4 -1.861 -2.671 -3.942 1.00 0.00 C ATOM 61 CG ASN A 4 -2.446 -2.281 -5.287 1.00 0.00 C ATOM 62 OD1 ASN A 4 -2.557 -3.123 -6.185 1.00 0.00 O ATOM 63 ND2 ASN A 4 -2.794 -1.048 -5.496 1.00 0.00 N ATOM 0 H ASN A 4 0.722 -2.776 -5.878 1.00 0.00 H new ATOM 0 HA ASN A 4 0.133 -2.810 -3.166 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -2.406 -3.521 -3.531 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -1.972 -1.849 -3.235 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -3.162 -0.769 -6.406 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -2.700 -0.358 -4.751 1.00 0.00 H new ATOM 70 N ASN A 5 -0.769 -4.897 -5.577 1.00 0.00 N ATOM 71 CA ASN A 5 -0.672 -6.276 -6.082 1.00 0.00 C ATOM 72 C ASN A 5 -0.652 -7.317 -4.958 1.00 0.00 C ATOM 73 O ASN A 5 0.100 -8.291 -5.024 1.00 0.00 O ATOM 74 CB ASN A 5 0.548 -6.484 -7.021 1.00 0.00 C ATOM 75 CG ASN A 5 1.656 -5.462 -6.777 1.00 0.00 C ATOM 76 OD1 ASN A 5 2.137 -4.835 -7.718 1.00 0.00 O ATOM 77 ND2 ASN A 5 2.099 -5.257 -5.576 1.00 0.00 N ATOM 0 H ASN A 5 -1.286 -4.271 -6.194 1.00 0.00 H new ATOM 0 HA ASN A 5 -1.579 -6.429 -6.667 1.00 0.00 H new ATOM 0 HB2 ASN A 5 0.946 -7.488 -6.876 1.00 0.00 H new ATOM 0 HB3 ASN A 5 0.219 -6.418 -8.058 1.00 0.00 H new ATOM 0 HD21 ASN A 5 2.843 -4.578 -5.416 1.00 0.00 H new ATOM 0 HD22 ASN A 5 1.703 -5.775 -4.791 1.00 0.00 H new ATOM 84 N LEU A 6 -1.534 -7.168 -3.976 1.00 0.00 N ATOM 85 CA LEU A 6 -1.613 -8.158 -2.905 1.00 0.00 C ATOM 86 C LEU A 6 -1.969 -9.514 -3.442 1.00 0.00 C ATOM 87 O LEU A 6 -1.384 -10.514 -3.045 1.00 0.00 O ATOM 88 CB LEU A 6 -2.632 -7.755 -1.831 1.00 0.00 C ATOM 89 CG LEU A 6 -2.841 -8.938 -0.862 1.00 0.00 C ATOM 90 CD1 LEU A 6 -1.533 -9.358 -0.213 1.00 0.00 C ATOM 91 CD2 LEU A 6 -3.842 -8.570 0.213 1.00 0.00 C ATOM 0 H LEU A 6 -2.191 -6.391 -3.897 1.00 0.00 H new ATOM 0 HA LEU A 6 -0.624 -8.201 -2.449 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -2.277 -6.881 -1.285 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -3.578 -7.478 -2.296 1.00 0.00 H new ATOM 0 HG LEU A 6 -3.224 -9.776 -1.444 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -1.714 -10.193 0.464 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -0.826 -9.663 -0.984 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -1.119 -8.520 0.348 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -3.978 -9.415 0.888 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -3.473 -7.712 0.775 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -4.796 -8.318 -0.249 1.00 0.00 H new ATOM 103 N LYS A 7 -2.956 -9.552 -4.298 1.00 0.00 N ATOM 104 CA LYS A 7 -3.445 -10.808 -4.830 1.00 0.00 C ATOM 105 C LYS A 7 -2.310 -11.740 -5.176 1.00 0.00 C ATOM 106 O LYS A 7 -2.302 -12.888 -4.755 1.00 0.00 O ATOM 107 CB LYS A 7 -4.345 -10.557 -6.042 1.00 0.00 C ATOM 108 CG LYS A 7 -3.760 -9.444 -6.933 1.00 0.00 C ATOM 109 CD LYS A 7 -4.911 -8.689 -7.615 1.00 0.00 C ATOM 110 CE LYS A 7 -4.352 -7.560 -8.493 1.00 0.00 C ATOM 111 NZ LYS A 7 -3.961 -8.094 -9.819 1.00 0.00 N ATOM 0 H LYS A 7 -3.443 -8.726 -4.646 1.00 0.00 H new ATOM 0 HA LYS A 7 -4.038 -11.296 -4.057 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -4.450 -11.475 -6.620 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -5.343 -10.275 -5.708 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -3.163 -8.757 -6.333 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -3.095 -9.873 -7.683 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -5.498 -9.377 -8.223 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -5.583 -8.277 -6.862 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -5.101 -6.777 -8.614 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -3.490 -7.104 -8.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -3.584 -7.323 -10.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -3.232 -8.825 -9.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -4.793 -8.509 -10.285 1.00 0.00 H new ATOM 125 N LEU A 8 -1.309 -11.216 -5.861 1.00 0.00 N ATOM 126 CA LEU A 8 -0.146 -12.016 -6.215 1.00 0.00 C ATOM 127 C LEU A 8 0.560 -12.507 -4.958 1.00 0.00 C ATOM 128 O LEU A 8 0.907 -13.681 -4.835 1.00 0.00 O ATOM 129 CB LEU A 8 0.838 -11.146 -7.027 1.00 0.00 C ATOM 130 CG LEU A 8 0.418 -11.008 -8.520 1.00 0.00 C ATOM 131 CD1 LEU A 8 -0.782 -11.898 -8.866 1.00 0.00 C ATOM 132 CD2 LEU A 8 0.068 -9.548 -8.823 1.00 0.00 C ATOM 0 H LEU A 8 -1.276 -10.248 -6.182 1.00 0.00 H new ATOM 0 HA LEU A 8 -0.473 -12.873 -6.803 1.00 0.00 H new ATOM 0 HB2 LEU A 8 0.899 -10.155 -6.577 1.00 0.00 H new ATOM 0 HB3 LEU A 8 1.835 -11.583 -6.972 1.00 0.00 H new ATOM 0 HG LEU A 8 1.262 -11.332 -9.129 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -1.040 -11.769 -9.917 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -0.527 -12.941 -8.680 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -1.634 -11.617 -8.247 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -0.226 -9.454 -9.868 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -0.757 -9.231 -8.184 1.00 0.00 H new ATOM 0 HD23 LEU A 8 0.937 -8.918 -8.632 1.00 0.00 H new ATOM 144 N ILE A 9 0.784 -11.606 -4.038 1.00 0.00 N ATOM 145 CA ILE A 9 1.453 -11.947 -2.800 1.00 0.00 C ATOM 146 C ILE A 9 0.567 -12.868 -1.971 1.00 0.00 C ATOM 147 O ILE A 9 1.019 -13.865 -1.406 1.00 0.00 O ATOM 148 CB ILE A 9 1.731 -10.664 -2.040 1.00 0.00 C ATOM 149 CG1 ILE A 9 2.726 -9.831 -2.863 1.00 0.00 C ATOM 150 CG2 ILE A 9 2.389 -11.027 -0.693 1.00 0.00 C ATOM 151 CD1 ILE A 9 2.533 -8.354 -2.561 1.00 0.00 C ATOM 0 H ILE A 9 0.514 -10.626 -4.119 1.00 0.00 H new ATOM 0 HA ILE A 9 2.389 -12.466 -3.007 1.00 0.00 H new ATOM 0 HB ILE A 9 0.810 -10.107 -1.871 1.00 0.00 H new ATOM 0 HG12 ILE A 9 3.747 -10.130 -2.627 1.00 0.00 H new ATOM 0 HG13 ILE A 9 2.578 -10.017 -3.927 1.00 0.00 H new ATOM 0 HG21 ILE A 9 2.596 -10.116 -0.132 1.00 0.00 H new ATOM 0 HG22 ILE A 9 1.715 -11.661 -0.118 1.00 0.00 H new ATOM 0 HG23 ILE A 9 3.322 -11.561 -0.876 1.00 0.00 H new ATOM 0 HD11 ILE A 9 3.241 -7.767 -3.147 1.00 0.00 H new ATOM 0 HD12 ILE A 9 1.516 -8.060 -2.820 1.00 0.00 H new ATOM 0 HD13 ILE A 9 2.704 -8.174 -1.500 1.00 0.00 H new ATOM 163 N ARG A 10 -0.695 -12.506 -1.896 1.00 0.00 N ATOM 164 CA ARG A 10 -1.667 -13.261 -1.150 1.00 0.00 C ATOM 165 C ARG A 10 -1.863 -14.635 -1.779 1.00 0.00 C ATOM 166 O ARG A 10 -1.821 -15.668 -1.094 1.00 0.00 O ATOM 167 CB ARG A 10 -2.991 -12.472 -1.107 1.00 0.00 C ATOM 168 CG ARG A 10 -4.159 -13.411 -0.876 1.00 0.00 C ATOM 169 CD ARG A 10 -4.924 -13.597 -2.186 1.00 0.00 C ATOM 170 NE ARG A 10 -5.856 -14.707 -2.049 1.00 0.00 N ATOM 171 CZ ARG A 10 -6.643 -15.109 -3.040 1.00 0.00 C ATOM 172 NH1 ARG A 10 -6.624 -14.482 -4.180 1.00 0.00 N ATOM 173 NH2 ARG A 10 -7.426 -16.133 -2.867 1.00 0.00 N ATOM 0 H ARG A 10 -1.073 -11.676 -2.354 1.00 0.00 H new ATOM 0 HA ARG A 10 -1.315 -13.413 -0.130 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -2.952 -11.727 -0.312 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -3.130 -11.932 -2.043 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -3.800 -14.373 -0.511 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -4.820 -13.006 -0.110 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -5.463 -12.684 -2.438 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -4.228 -13.791 -3.002 1.00 0.00 H new ATOM 0 HE ARG A 10 -5.906 -15.196 -1.155 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -6.005 -13.682 -4.312 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -7.228 -14.790 -4.942 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -7.434 -16.624 -1.973 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -8.032 -16.445 -3.625 1.00 0.00 H new ATOM 187 N GLU A 11 -2.044 -14.650 -3.085 1.00 0.00 N ATOM 188 CA GLU A 11 -2.234 -15.893 -3.802 1.00 0.00 C ATOM 189 C GLU A 11 -0.958 -16.713 -3.808 1.00 0.00 C ATOM 190 O GLU A 11 -0.987 -17.928 -4.032 1.00 0.00 O ATOM 191 CB GLU A 11 -2.772 -15.653 -5.226 1.00 0.00 C ATOM 192 CG GLU A 11 -1.623 -15.355 -6.199 1.00 0.00 C ATOM 193 CD GLU A 11 -1.044 -16.642 -6.765 1.00 0.00 C ATOM 194 OE1 GLU A 11 -1.802 -17.561 -7.023 1.00 0.00 O ATOM 195 OE2 GLU A 11 0.143 -16.695 -6.942 1.00 0.00 O ATOM 0 H GLU A 11 -2.063 -13.815 -3.670 1.00 0.00 H new ATOM 0 HA GLU A 11 -2.994 -16.470 -3.275 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -3.323 -16.531 -5.564 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -3.474 -14.819 -5.219 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -1.984 -14.725 -7.012 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -0.842 -14.795 -5.685 1.00 0.00 H new ATOM 202 N LYS A 12 0.156 -16.062 -3.500 1.00 0.00 N ATOM 203 CA LYS A 12 1.437 -16.739 -3.461 1.00 0.00 C ATOM 204 C LYS A 12 1.345 -17.904 -2.497 1.00 0.00 C ATOM 205 O LYS A 12 1.750 -19.015 -2.817 1.00 0.00 O ATOM 206 CB LYS A 12 2.513 -15.774 -2.959 1.00 0.00 C ATOM 207 CG LYS A 12 3.896 -16.433 -3.029 1.00 0.00 C ATOM 208 CD LYS A 12 4.929 -15.505 -2.380 1.00 0.00 C ATOM 209 CE LYS A 12 5.748 -14.785 -3.461 1.00 0.00 C ATOM 210 NZ LYS A 12 6.920 -14.110 -2.839 1.00 0.00 N ATOM 0 H LYS A 12 0.194 -15.068 -3.275 1.00 0.00 H new ATOM 0 HA LYS A 12 1.694 -17.090 -4.461 1.00 0.00 H new ATOM 0 HB2 LYS A 12 2.505 -14.865 -3.561 1.00 0.00 H new ATOM 0 HB3 LYS A 12 2.295 -15.478 -1.933 1.00 0.00 H new ATOM 0 HG2 LYS A 12 3.880 -17.395 -2.516 1.00 0.00 H new ATOM 0 HG3 LYS A 12 4.167 -16.629 -4.066 1.00 0.00 H new ATOM 0 HD2 LYS A 12 4.425 -14.774 -1.748 1.00 0.00 H new ATOM 0 HD3 LYS A 12 5.592 -16.081 -1.735 1.00 0.00 H new ATOM 0 HE2 LYS A 12 6.085 -15.500 -4.212 1.00 0.00 H new ATOM 0 HE3 LYS A 12 5.125 -14.053 -3.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 7.471 -13.624 -3.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 6.589 -13.416 -2.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 7.519 -14.818 -2.368 1.00 0.00 H new ATOM 224 N LYS A 13 0.775 -17.653 -1.328 1.00 0.00 N ATOM 225 CA LYS A 13 0.605 -18.718 -0.354 1.00 0.00 C ATOM 226 C LYS A 13 -0.815 -19.258 -0.437 1.00 0.00 C ATOM 227 O LYS A 13 -1.250 -20.013 0.432 1.00 0.00 O ATOM 228 CB LYS A 13 0.831 -18.223 1.069 1.00 0.00 C ATOM 229 CG LYS A 13 1.783 -17.030 1.114 1.00 0.00 C ATOM 230 CD LYS A 13 2.109 -16.752 2.578 1.00 0.00 C ATOM 231 CE LYS A 13 3.120 -15.634 2.676 1.00 0.00 C ATOM 232 NZ LYS A 13 3.427 -15.405 4.099 1.00 0.00 N ATOM 0 H LYS A 13 0.429 -16.739 -1.035 1.00 0.00 H new ATOM 0 HA LYS A 13 1.339 -19.490 -0.584 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -0.125 -17.941 1.511 1.00 0.00 H new ATOM 0 HB3 LYS A 13 1.236 -19.033 1.675 1.00 0.00 H new ATOM 0 HG2 LYS A 13 2.693 -17.245 0.554 1.00 0.00 H new ATOM 0 HG3 LYS A 13 1.323 -16.156 0.652 1.00 0.00 H new ATOM 0 HD2 LYS A 13 1.201 -16.481 3.117 1.00 0.00 H new ATOM 0 HD3 LYS A 13 2.503 -17.653 3.049 1.00 0.00 H new ATOM 0 HE2 LYS A 13 4.027 -15.894 2.130 1.00 0.00 H new ATOM 0 HE3 LYS A 13 2.725 -14.725 2.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 3.244 -14.409 4.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 2.827 -16.018 4.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 4.427 -15.626 4.278 1.00 0.00 H new ATOM 246 N LYS A 14 -1.578 -18.713 -1.373 1.00 0.00 N ATOM 247 CA LYS A 14 -3.005 -18.982 -1.459 1.00 0.00 C ATOM 248 C LYS A 14 -3.686 -18.488 -0.194 1.00 0.00 C ATOM 249 O LYS A 14 -4.605 -19.122 0.339 1.00 0.00 O ATOM 250 CB LYS A 14 -3.277 -20.470 -1.692 1.00 0.00 C ATOM 251 CG LYS A 14 -2.533 -20.915 -2.950 1.00 0.00 C ATOM 252 CD LYS A 14 -3.062 -20.144 -4.172 1.00 0.00 C ATOM 253 CE LYS A 14 -2.282 -20.575 -5.418 1.00 0.00 C ATOM 254 NZ LYS A 14 -1.254 -19.544 -5.730 1.00 0.00 N ATOM 0 H LYS A 14 -1.228 -18.076 -2.089 1.00 0.00 H new ATOM 0 HA LYS A 14 -3.416 -18.447 -2.315 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -2.947 -21.053 -0.832 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -4.347 -20.645 -1.804 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -1.464 -20.738 -2.832 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -2.664 -21.987 -3.101 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -4.125 -20.341 -4.308 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -2.954 -19.071 -4.014 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -1.806 -21.541 -5.248 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -2.960 -20.697 -6.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -0.380 -20.010 -6.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -1.606 -18.920 -6.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -1.057 -18.981 -4.878 1.00 0.00 H new ATOM 268 N ILE A 15 -3.264 -17.317 0.245 1.00 0.00 N ATOM 269 CA ILE A 15 -3.829 -16.690 1.415 1.00 0.00 C ATOM 270 C ILE A 15 -5.204 -16.190 1.097 1.00 0.00 C ATOM 271 O ILE A 15 -5.454 -15.695 0.009 1.00 0.00 O ATOM 272 CB ILE A 15 -2.933 -15.539 1.896 1.00 0.00 C ATOM 273 CG1 ILE A 15 -1.572 -16.078 2.289 1.00 0.00 C ATOM 274 CG2 ILE A 15 -3.544 -14.802 3.085 1.00 0.00 C ATOM 275 CD1 ILE A 15 -1.732 -17.268 3.248 1.00 0.00 C ATOM 0 H ILE A 15 -2.522 -16.778 -0.201 1.00 0.00 H new ATOM 0 HA ILE A 15 -3.893 -17.424 2.218 1.00 0.00 H new ATOM 0 HB ILE A 15 -2.836 -14.832 1.072 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -1.025 -16.389 1.399 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -0.985 -15.293 2.766 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -2.879 -13.996 3.394 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -4.510 -14.386 2.798 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -3.680 -15.497 3.913 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -0.748 -17.648 3.524 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -2.261 -16.944 4.145 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -2.301 -18.057 2.757 1.00 0.00 H new ATOM 287 N SER A 16 -6.100 -16.350 2.014 1.00 0.00 N ATOM 288 CA SER A 16 -7.436 -15.867 1.790 1.00 0.00 C ATOM 289 C SER A 16 -7.446 -14.374 2.006 1.00 0.00 C ATOM 290 O SER A 16 -6.802 -13.883 2.921 1.00 0.00 O ATOM 291 CB SER A 16 -8.412 -16.560 2.741 1.00 0.00 C ATOM 292 OG SER A 16 -8.110 -16.215 4.091 1.00 0.00 O ATOM 0 H SER A 16 -5.943 -16.803 2.914 1.00 0.00 H new ATOM 0 HA SER A 16 -7.750 -16.089 0.770 1.00 0.00 H new ATOM 0 HB2 SER A 16 -9.434 -16.266 2.503 1.00 0.00 H new ATOM 0 HB3 SER A 16 -8.352 -17.641 2.612 1.00 0.00 H new ATOM 0 HG SER A 16 -7.400 -16.801 4.427 1.00 0.00 H new ATOM 298 N GLN A 17 -8.181 -13.640 1.199 1.00 0.00 N ATOM 299 CA GLN A 17 -8.235 -12.209 1.399 1.00 0.00 C ATOM 300 C GLN A 17 -8.881 -11.917 2.743 1.00 0.00 C ATOM 301 O GLN A 17 -8.569 -10.924 3.397 1.00 0.00 O ATOM 302 CB GLN A 17 -8.983 -11.519 0.257 1.00 0.00 C ATOM 303 CG GLN A 17 -8.362 -11.955 -1.080 1.00 0.00 C ATOM 304 CD GLN A 17 -8.079 -10.743 -1.945 1.00 0.00 C ATOM 305 OE1 GLN A 17 -8.927 -10.324 -2.733 1.00 0.00 O ATOM 306 NE2 GLN A 17 -6.937 -10.150 -1.837 1.00 0.00 N ATOM 0 H GLN A 17 -8.734 -13.997 0.420 1.00 0.00 H new ATOM 0 HA GLN A 17 -7.221 -11.808 1.399 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -10.040 -11.783 0.285 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -8.921 -10.436 0.366 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -7.439 -12.505 -0.898 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -9.039 -12.632 -1.600 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -6.239 -10.503 -1.182 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -6.733 -9.329 -2.407 1.00 0.00 H new ATOM 315 N SER A 18 -9.787 -12.799 3.141 1.00 0.00 N ATOM 316 CA SER A 18 -10.481 -12.670 4.407 1.00 0.00 C ATOM 317 C SER A 18 -9.533 -12.763 5.621 1.00 0.00 C ATOM 318 O SER A 18 -9.723 -12.043 6.614 1.00 0.00 O ATOM 319 CB SER A 18 -11.584 -13.728 4.518 1.00 0.00 C ATOM 320 OG SER A 18 -12.431 -13.662 3.361 1.00 0.00 O ATOM 0 H SER A 18 -10.058 -13.618 2.597 1.00 0.00 H new ATOM 0 HA SER A 18 -10.924 -11.674 4.424 1.00 0.00 H new ATOM 0 HB2 SER A 18 -11.143 -14.721 4.602 1.00 0.00 H new ATOM 0 HB3 SER A 18 -12.171 -13.563 5.421 1.00 0.00 H new ATOM 0 HG SER A 18 -13.135 -14.340 3.432 1.00 0.00 H new ATOM 326 N GLU A 19 -8.589 -13.726 5.598 1.00 0.00 N ATOM 327 CA GLU A 19 -7.769 -13.981 6.786 1.00 0.00 C ATOM 328 C GLU A 19 -6.917 -12.776 7.178 1.00 0.00 C ATOM 329 O GLU A 19 -7.046 -12.264 8.294 1.00 0.00 O ATOM 330 CB GLU A 19 -6.915 -15.270 6.640 1.00 0.00 C ATOM 331 CG GLU A 19 -5.748 -15.053 5.668 1.00 0.00 C ATOM 332 CD GLU A 19 -5.146 -16.386 5.259 1.00 0.00 C ATOM 333 OE1 GLU A 19 -5.718 -17.038 4.406 1.00 0.00 O ATOM 334 OE2 GLU A 19 -4.120 -16.738 5.800 1.00 0.00 O ATOM 0 H GLU A 19 -8.384 -14.320 4.794 1.00 0.00 H new ATOM 0 HA GLU A 19 -8.465 -14.150 7.608 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -6.529 -15.567 7.615 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -7.542 -16.087 6.283 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -6.097 -14.518 4.785 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -4.986 -14.431 6.138 1.00 0.00 H new ATOM 341 N LEU A 20 -6.066 -12.297 6.263 1.00 0.00 N ATOM 342 CA LEU A 20 -5.223 -11.144 6.576 1.00 0.00 C ATOM 343 C LEU A 20 -6.046 -9.888 6.823 1.00 0.00 C ATOM 344 O LEU A 20 -5.778 -9.140 7.762 1.00 0.00 O ATOM 345 CB LEU A 20 -4.052 -10.907 5.570 1.00 0.00 C ATOM 346 CG LEU A 20 -4.520 -10.627 4.118 1.00 0.00 C ATOM 347 CD1 LEU A 20 -5.462 -11.705 3.617 1.00 0.00 C ATOM 348 CD2 LEU A 20 -5.183 -9.248 4.002 1.00 0.00 C ATOM 0 H LEU A 20 -5.946 -12.679 5.325 1.00 0.00 H new ATOM 0 HA LEU A 20 -4.728 -11.398 7.513 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.452 -10.066 5.917 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -3.403 -11.783 5.570 1.00 0.00 H new ATOM 0 HG LEU A 20 -3.629 -10.636 3.490 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -5.769 -11.475 2.597 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -4.954 -12.669 3.634 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -6.342 -11.747 4.259 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -5.500 -9.082 2.972 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -6.051 -9.205 4.660 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -4.470 -8.476 4.291 1.00 0.00 H new ATOM 360 N ALA A 21 -7.086 -9.699 6.028 1.00 0.00 N ATOM 361 CA ALA A 21 -7.959 -8.537 6.176 1.00 0.00 C ATOM 362 C ALA A 21 -8.528 -8.475 7.584 1.00 0.00 C ATOM 363 O ALA A 21 -8.604 -7.404 8.189 1.00 0.00 O ATOM 364 CB ALA A 21 -9.100 -8.580 5.152 1.00 0.00 C ATOM 0 H ALA A 21 -7.350 -10.332 5.273 1.00 0.00 H new ATOM 0 HA ALA A 21 -7.363 -7.642 5.996 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -9.737 -7.705 5.281 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -8.685 -8.581 4.144 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -9.690 -9.484 5.302 1.00 0.00 H new ATOM 370 N ALA A 22 -8.851 -9.632 8.135 1.00 0.00 N ATOM 371 CA ALA A 22 -9.349 -9.697 9.493 1.00 0.00 C ATOM 372 C ALA A 22 -8.285 -9.220 10.463 1.00 0.00 C ATOM 373 O ALA A 22 -8.586 -8.528 11.435 1.00 0.00 O ATOM 374 CB ALA A 22 -9.782 -11.117 9.840 1.00 0.00 C ATOM 0 H ALA A 22 -8.777 -10.534 7.664 1.00 0.00 H new ATOM 0 HA ALA A 22 -10.218 -9.044 9.574 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -10.153 -11.144 10.865 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -10.573 -11.433 9.159 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -8.930 -11.791 9.744 1.00 0.00 H new ATOM 380 N LEU A 23 -7.036 -9.564 10.176 1.00 0.00 N ATOM 381 CA LEU A 23 -5.912 -9.142 11.011 1.00 0.00 C ATOM 382 C LEU A 23 -5.801 -7.634 10.948 1.00 0.00 C ATOM 383 O LEU A 23 -5.455 -6.967 11.933 1.00 0.00 O ATOM 384 CB LEU A 23 -4.599 -9.737 10.494 1.00 0.00 C ATOM 385 CG LEU A 23 -4.739 -11.248 10.280 1.00 0.00 C ATOM 386 CD1 LEU A 23 -3.429 -11.815 9.778 1.00 0.00 C ATOM 387 CD2 LEU A 23 -5.137 -11.955 11.568 1.00 0.00 C ATOM 0 H LEU A 23 -6.773 -10.134 9.372 1.00 0.00 H new ATOM 0 HA LEU A 23 -6.086 -9.485 12.031 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -4.320 -9.256 9.557 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.798 -9.538 11.206 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.524 -11.414 9.542 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -3.532 -12.890 9.627 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.165 -11.339 8.834 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -2.645 -11.625 10.512 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -5.228 -13.025 11.382 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -4.375 -11.782 12.328 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -6.093 -11.565 11.917 1.00 0.00 H new ATOM 399 N LEU A 24 -6.046 -7.111 9.759 1.00 0.00 N ATOM 400 CA LEU A 24 -5.931 -5.690 9.500 1.00 0.00 C ATOM 401 C LEU A 24 -7.066 -4.967 10.182 1.00 0.00 C ATOM 402 O LEU A 24 -6.986 -3.768 10.440 1.00 0.00 O ATOM 403 CB LEU A 24 -6.025 -5.432 7.998 1.00 0.00 C ATOM 404 CG LEU A 24 -4.888 -6.150 7.264 1.00 0.00 C ATOM 405 CD1 LEU A 24 -5.041 -5.944 5.761 1.00 0.00 C ATOM 406 CD2 LEU A 24 -3.536 -5.605 7.724 1.00 0.00 C ATOM 0 H LEU A 24 -6.330 -7.661 8.948 1.00 0.00 H new ATOM 0 HA LEU A 24 -4.973 -5.333 9.878 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -6.987 -5.780 7.622 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.975 -4.361 7.802 1.00 0.00 H new ATOM 0 HG LEU A 24 -4.935 -7.215 7.492 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -4.232 -6.455 5.239 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -5.998 -6.351 5.434 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -5.003 -4.879 5.534 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -2.736 -6.123 7.195 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -3.482 -4.538 7.509 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -3.425 -5.765 8.796 1.00 0.00 H new ATOM 418 N GLU A 25 -8.142 -5.698 10.429 1.00 0.00 N ATOM 419 CA GLU A 25 -9.335 -5.147 11.049 1.00 0.00 C ATOM 420 C GLU A 25 -10.013 -4.198 10.074 1.00 0.00 C ATOM 421 O GLU A 25 -10.647 -3.210 10.475 1.00 0.00 O ATOM 422 CB GLU A 25 -8.983 -4.412 12.349 1.00 0.00 C ATOM 423 CG GLU A 25 -8.246 -5.368 13.298 1.00 0.00 C ATOM 424 CD GLU A 25 -7.856 -4.646 14.571 1.00 0.00 C ATOM 425 OE1 GLU A 25 -7.356 -3.539 14.475 1.00 0.00 O ATOM 426 OE2 GLU A 25 -8.056 -5.203 15.626 1.00 0.00 O ATOM 0 H GLU A 25 -8.212 -6.691 10.205 1.00 0.00 H new ATOM 0 HA GLU A 25 -10.015 -5.962 11.297 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -8.358 -3.546 12.131 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -9.890 -4.039 12.825 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -8.884 -6.219 13.535 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -7.356 -5.763 12.808 1.00 0.00 H new ATOM 433 N VAL A 26 -9.904 -4.530 8.798 1.00 0.00 N ATOM 434 CA VAL A 26 -10.538 -3.772 7.734 1.00 0.00 C ATOM 435 C VAL A 26 -11.278 -4.734 6.825 1.00 0.00 C ATOM 436 O VAL A 26 -11.026 -5.941 6.858 1.00 0.00 O ATOM 437 CB VAL A 26 -9.489 -2.974 6.937 1.00 0.00 C ATOM 438 CG1 VAL A 26 -8.776 -1.987 7.869 1.00 0.00 C ATOM 439 CG2 VAL A 26 -8.459 -3.926 6.317 1.00 0.00 C ATOM 0 H VAL A 26 -9.371 -5.336 8.471 1.00 0.00 H new ATOM 0 HA VAL A 26 -11.242 -3.059 8.163 1.00 0.00 H new ATOM 0 HB VAL A 26 -9.993 -2.427 6.140 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -8.034 -1.423 7.303 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -9.505 -1.299 8.297 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -8.281 -2.536 8.670 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -7.723 -3.350 5.756 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -7.957 -4.484 7.107 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -8.964 -4.621 5.646 1.00 0.00 H new ATOM 449 N SER A 27 -12.220 -4.232 6.061 1.00 0.00 N ATOM 450 CA SER A 27 -13.016 -5.100 5.222 1.00 0.00 C ATOM 451 C SER A 27 -12.185 -5.763 4.124 1.00 0.00 C ATOM 452 O SER A 27 -11.335 -5.122 3.479 1.00 0.00 O ATOM 453 CB SER A 27 -14.187 -4.326 4.608 1.00 0.00 C ATOM 454 OG SER A 27 -13.851 -2.937 4.508 1.00 0.00 O ATOM 0 H SER A 27 -12.453 -3.241 6.002 1.00 0.00 H new ATOM 0 HA SER A 27 -13.406 -5.894 5.859 1.00 0.00 H new ATOM 0 HB2 SER A 27 -14.421 -4.725 3.621 1.00 0.00 H new ATOM 0 HB3 SER A 27 -15.079 -4.451 5.222 1.00 0.00 H new ATOM 0 HG SER A 27 -12.995 -2.840 4.041 1.00 0.00 H new ATOM 460 N ARG A 28 -12.538 -6.985 3.815 1.00 0.00 N ATOM 461 CA ARG A 28 -11.969 -7.694 2.694 1.00 0.00 C ATOM 462 C ARG A 28 -12.295 -6.960 1.408 1.00 0.00 C ATOM 463 O ARG A 28 -11.447 -6.829 0.519 1.00 0.00 O ATOM 464 CB ARG A 28 -12.509 -9.123 2.657 1.00 0.00 C ATOM 465 CG ARG A 28 -11.969 -9.878 1.439 1.00 0.00 C ATOM 466 CD ARG A 28 -12.402 -11.341 1.549 1.00 0.00 C ATOM 467 NE ARG A 28 -13.861 -11.429 1.605 1.00 0.00 N ATOM 468 CZ ARG A 28 -14.600 -11.936 0.614 1.00 0.00 C ATOM 469 NH1 ARG A 28 -14.025 -12.461 -0.435 1.00 0.00 N ATOM 470 NH2 ARG A 28 -15.897 -11.931 0.713 1.00 0.00 N ATOM 0 H ARG A 28 -13.232 -7.520 4.336 1.00 0.00 H new ATOM 0 HA ARG A 28 -10.885 -7.739 2.802 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -12.226 -9.647 3.570 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -13.598 -9.104 2.625 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -12.352 -9.437 0.519 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -10.882 -9.806 1.399 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -12.028 -11.905 0.694 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -11.968 -11.791 2.442 1.00 0.00 H new ATOM 0 HE ARG A 28 -14.337 -11.087 2.440 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -13.007 -12.485 -0.500 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -14.594 -12.847 -1.189 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -16.344 -11.542 1.543 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -16.467 -12.316 -0.040 1.00 0.00 H new ATOM 484 N GLN A 29 -13.531 -6.477 1.311 1.00 0.00 N ATOM 485 CA GLN A 29 -13.970 -5.760 0.114 1.00 0.00 C ATOM 486 C GLN A 29 -12.985 -4.649 -0.180 1.00 0.00 C ATOM 487 O GLN A 29 -12.519 -4.489 -1.310 1.00 0.00 O ATOM 488 CB GLN A 29 -15.380 -5.141 0.306 1.00 0.00 C ATOM 489 CG GLN A 29 -16.096 -5.775 1.494 1.00 0.00 C ATOM 490 CD GLN A 29 -17.539 -5.285 1.572 1.00 0.00 C ATOM 491 OE1 GLN A 29 -18.456 -6.011 1.198 1.00 0.00 O ATOM 492 NE2 GLN A 29 -17.792 -4.099 2.028 1.00 0.00 N ATOM 0 H GLN A 29 -14.241 -6.567 2.038 1.00 0.00 H new ATOM 0 HA GLN A 29 -14.017 -6.470 -0.712 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -15.291 -4.066 0.461 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -15.971 -5.285 -0.599 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -16.079 -6.861 1.399 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -15.571 -5.527 2.417 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -17.028 -3.498 2.338 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -18.755 -3.766 2.077 1.00 0.00 H new ATOM 501 N THR A 30 -12.613 -3.934 0.855 1.00 0.00 N ATOM 502 CA THR A 30 -11.632 -2.889 0.728 1.00 0.00 C ATOM 503 C THR A 30 -10.274 -3.464 0.340 1.00 0.00 C ATOM 504 O THR A 30 -9.620 -2.966 -0.579 1.00 0.00 O ATOM 505 CB THR A 30 -11.548 -2.103 2.039 1.00 0.00 C ATOM 506 OG1 THR A 30 -11.987 -2.932 3.113 1.00 0.00 O ATOM 507 CG2 THR A 30 -12.469 -0.890 1.960 1.00 0.00 C ATOM 0 H THR A 30 -12.979 -4.060 1.799 1.00 0.00 H new ATOM 0 HA THR A 30 -11.936 -2.209 -0.068 1.00 0.00 H new ATOM 0 HB THR A 30 -10.519 -1.784 2.204 1.00 0.00 H new ATOM 0 HG1 THR A 30 -11.450 -3.751 3.135 1.00 0.00 H new ATOM 0 HG21 THR A 30 -12.411 -0.328 2.892 1.00 0.00 H new ATOM 0 HG22 THR A 30 -12.160 -0.252 1.132 1.00 0.00 H new ATOM 0 HG23 THR A 30 -13.495 -1.222 1.799 1.00 0.00 H new ATOM 515 N ILE A 31 -9.861 -4.528 1.023 1.00 0.00 N ATOM 516 CA ILE A 31 -8.561 -5.133 0.751 1.00 0.00 C ATOM 517 C ILE A 31 -8.486 -5.697 -0.663 1.00 0.00 C ATOM 518 O ILE A 31 -7.518 -5.445 -1.387 1.00 0.00 O ATOM 519 CB ILE A 31 -8.250 -6.230 1.789 1.00 0.00 C ATOM 520 CG1 ILE A 31 -8.069 -5.598 3.177 1.00 0.00 C ATOM 521 CG2 ILE A 31 -6.973 -6.987 1.402 1.00 0.00 C ATOM 522 CD1 ILE A 31 -6.904 -4.602 3.151 1.00 0.00 C ATOM 0 H ILE A 31 -10.400 -4.984 1.759 1.00 0.00 H new ATOM 0 HA ILE A 31 -7.808 -4.349 0.831 1.00 0.00 H new ATOM 0 HB ILE A 31 -9.084 -6.931 1.813 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -8.986 -5.090 3.477 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -7.878 -6.375 3.917 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -6.768 -7.758 2.145 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -7.107 -7.451 0.425 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -6.136 -6.291 1.361 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -6.782 -4.158 4.139 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -5.987 -5.121 2.871 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -7.113 -3.817 2.424 1.00 0.00 H new ATOM 534 N ASN A 32 -9.522 -6.405 -1.086 1.00 0.00 N ATOM 535 CA ASN A 32 -9.523 -6.942 -2.439 1.00 0.00 C ATOM 536 C ASN A 32 -9.677 -5.830 -3.457 1.00 0.00 C ATOM 537 O ASN A 32 -9.273 -5.972 -4.617 1.00 0.00 O ATOM 538 CB ASN A 32 -10.578 -8.043 -2.628 1.00 0.00 C ATOM 539 CG ASN A 32 -11.989 -7.482 -2.636 1.00 0.00 C ATOM 540 OD1 ASN A 32 -12.268 -6.479 -3.292 1.00 0.00 O ATOM 541 ND2 ASN A 32 -12.907 -8.072 -1.943 1.00 0.00 N ATOM 0 H ASN A 32 -10.351 -6.617 -0.531 1.00 0.00 H new ATOM 0 HA ASN A 32 -8.556 -7.416 -2.604 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -10.391 -8.568 -3.565 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -10.484 -8.777 -1.828 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -13.859 -7.706 -1.941 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -12.679 -8.904 -1.398 1.00 0.00 H new ATOM 548 N GLY A 33 -10.237 -4.716 -3.015 1.00 0.00 N ATOM 549 CA GLY A 33 -10.374 -3.539 -3.856 1.00 0.00 C ATOM 550 C GLY A 33 -9.024 -2.866 -4.078 1.00 0.00 C ATOM 551 O GLY A 33 -8.734 -2.380 -5.177 1.00 0.00 O ATOM 0 H GLY A 33 -10.607 -4.602 -2.071 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -10.806 -3.822 -4.816 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -11.064 -2.834 -3.392 1.00 0.00 H new ATOM 555 N ILE A 34 -8.223 -2.788 -3.018 1.00 0.00 N ATOM 556 CA ILE A 34 -6.938 -2.093 -3.075 1.00 0.00 C ATOM 557 C ILE A 34 -6.001 -2.751 -4.073 1.00 0.00 C ATOM 558 O ILE A 34 -5.363 -2.063 -4.871 1.00 0.00 O ATOM 559 CB ILE A 34 -6.285 -2.024 -1.675 1.00 0.00 C ATOM 560 CG1 ILE A 34 -7.109 -1.100 -0.769 1.00 0.00 C ATOM 561 CG2 ILE A 34 -4.854 -1.471 -1.781 1.00 0.00 C ATOM 562 CD1 ILE A 34 -6.625 -1.218 0.679 1.00 0.00 C ATOM 0 H ILE A 34 -8.440 -3.197 -2.109 1.00 0.00 H new ATOM 0 HA ILE A 34 -7.127 -1.074 -3.414 1.00 0.00 H new ATOM 0 HB ILE A 34 -6.253 -3.029 -1.255 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -7.018 -0.068 -1.109 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -8.165 -1.364 -0.831 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -4.406 -1.428 -0.788 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -4.258 -2.123 -2.420 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -4.882 -0.470 -2.210 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -7.216 -0.559 1.315 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -6.740 -2.248 1.018 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -5.575 -0.932 0.736 1.00 0.00 H new ATOM 574 N GLU A 35 -5.935 -4.073 -4.053 1.00 0.00 N ATOM 575 CA GLU A 35 -5.078 -4.775 -4.993 1.00 0.00 C ATOM 576 C GLU A 35 -5.509 -4.483 -6.419 1.00 0.00 C ATOM 577 O GLU A 35 -4.675 -4.263 -7.295 1.00 0.00 O ATOM 578 CB GLU A 35 -5.056 -6.285 -4.716 1.00 0.00 C ATOM 579 CG GLU A 35 -6.482 -6.841 -4.648 1.00 0.00 C ATOM 580 CD GLU A 35 -6.440 -8.332 -4.373 1.00 0.00 C ATOM 581 OE1 GLU A 35 -5.625 -8.748 -3.582 1.00 0.00 O ATOM 582 OE2 GLU A 35 -7.224 -9.042 -4.965 1.00 0.00 O ATOM 0 H GLU A 35 -6.454 -4.671 -3.410 1.00 0.00 H new ATOM 0 HA GLU A 35 -4.060 -4.410 -4.860 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -4.498 -6.796 -5.500 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -4.538 -6.481 -3.777 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -7.043 -6.333 -3.864 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -7.002 -6.650 -5.587 1.00 0.00 H new ATOM 589 N LYS A 36 -6.812 -4.414 -6.636 1.00 0.00 N ATOM 590 CA LYS A 36 -7.317 -4.022 -7.940 1.00 0.00 C ATOM 591 C LYS A 36 -7.034 -2.545 -8.178 1.00 0.00 C ATOM 592 O LYS A 36 -6.362 -2.176 -9.147 1.00 0.00 O ATOM 593 CB LYS A 36 -8.830 -4.277 -8.023 1.00 0.00 C ATOM 594 CG LYS A 36 -9.102 -5.595 -8.769 1.00 0.00 C ATOM 595 CD LYS A 36 -9.844 -6.579 -7.855 1.00 0.00 C ATOM 596 CE LYS A 36 -8.871 -7.673 -7.389 1.00 0.00 C ATOM 597 NZ LYS A 36 -9.132 -7.987 -5.966 1.00 0.00 N ATOM 0 H LYS A 36 -7.528 -4.620 -5.939 1.00 0.00 H new ATOM 0 HA LYS A 36 -6.816 -4.616 -8.704 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -9.255 -4.323 -7.020 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -9.319 -3.450 -8.539 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -9.695 -5.400 -9.662 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -8.161 -6.034 -9.101 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -10.257 -6.053 -6.994 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -10.683 -7.026 -8.388 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -8.993 -8.568 -7.999 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -7.842 -7.338 -7.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -8.365 -8.584 -5.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -9.179 -7.104 -5.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -10.036 -8.494 -5.883 1.00 0.00 H new ATOM 611 N ASN A 37 -7.468 -1.716 -7.224 1.00 0.00 N ATOM 612 CA ASN A 37 -7.262 -0.259 -7.257 1.00 0.00 C ATOM 613 C ASN A 37 -8.230 0.432 -6.302 1.00 0.00 C ATOM 614 O ASN A 37 -9.399 0.654 -6.639 1.00 0.00 O ATOM 615 CB ASN A 37 -7.446 0.322 -8.678 1.00 0.00 C ATOM 616 CG ASN A 37 -8.781 -0.113 -9.301 1.00 0.00 C ATOM 617 OD1 ASN A 37 -9.139 0.357 -10.388 1.00 0.00 O ATOM 618 ND2 ASN A 37 -9.545 -0.970 -8.690 1.00 0.00 N ATOM 0 H ASN A 37 -7.976 -2.036 -6.400 1.00 0.00 H new ATOM 0 HA ASN A 37 -6.234 -0.074 -6.946 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -7.402 1.410 -8.635 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -6.624 -0.005 -9.314 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -10.433 -1.250 -9.107 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -9.257 -1.362 -7.794 1.00 0.00 H new ATOM 625 N LYS A 38 -7.749 0.770 -5.124 1.00 0.00 N ATOM 626 CA LYS A 38 -8.559 1.450 -4.117 1.00 0.00 C ATOM 627 C LYS A 38 -7.649 2.331 -3.266 1.00 0.00 C ATOM 628 O LYS A 38 -6.426 2.169 -3.293 1.00 0.00 O ATOM 629 CB LYS A 38 -9.305 0.416 -3.235 1.00 0.00 C ATOM 630 CG LYS A 38 -10.632 0.997 -2.681 1.00 0.00 C ATOM 631 CD LYS A 38 -11.720 0.947 -3.772 1.00 0.00 C ATOM 632 CE LYS A 38 -13.067 1.459 -3.217 1.00 0.00 C ATOM 633 NZ LYS A 38 -13.471 0.663 -2.022 1.00 0.00 N ATOM 0 H LYS A 38 -6.790 0.585 -4.831 1.00 0.00 H new ATOM 0 HA LYS A 38 -9.309 2.072 -4.606 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -9.514 -0.480 -3.820 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -8.665 0.113 -2.406 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -10.953 0.428 -1.809 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -10.480 2.025 -2.353 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -11.417 1.555 -4.624 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -11.834 -0.075 -4.134 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -12.981 2.512 -2.949 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -13.836 1.388 -3.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -14.503 0.531 -2.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -13.003 -0.265 -2.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -13.190 1.168 -1.157 1.00 0.00 H new ATOM 647 N TYR A 39 -8.239 3.274 -2.545 1.00 0.00 N ATOM 648 CA TYR A 39 -7.475 4.198 -1.700 1.00 0.00 C ATOM 649 C TYR A 39 -6.374 3.459 -0.940 1.00 0.00 C ATOM 650 O TYR A 39 -6.587 2.354 -0.426 1.00 0.00 O ATOM 651 CB TYR A 39 -8.403 4.931 -0.711 1.00 0.00 C ATOM 652 CG TYR A 39 -9.665 4.125 -0.501 1.00 0.00 C ATOM 653 CD1 TYR A 39 -9.666 3.043 0.387 1.00 0.00 C ATOM 654 CD2 TYR A 39 -10.832 4.456 -1.198 1.00 0.00 C ATOM 655 CE1 TYR A 39 -10.828 2.290 0.568 1.00 0.00 C ATOM 656 CE2 TYR A 39 -11.990 3.706 -1.012 1.00 0.00 C ATOM 657 CZ TYR A 39 -11.991 2.624 -0.129 1.00 0.00 C ATOM 658 OH TYR A 39 -13.137 1.878 0.042 1.00 0.00 O ATOM 0 H TYR A 39 -9.248 3.424 -2.524 1.00 0.00 H new ATOM 0 HA TYR A 39 -7.009 4.937 -2.352 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -7.892 5.079 0.240 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -8.652 5.920 -1.096 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -8.768 2.791 0.932 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -10.835 5.293 -1.880 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -10.827 1.450 1.247 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -12.890 3.962 -1.552 1.00 0.00 H new ATOM 0 HH TYR A 39 -13.922 2.447 -0.100 1.00 0.00 H new ATOM 668 N ASN A 40 -5.191 4.051 -0.920 1.00 0.00 N ATOM 669 CA ASN A 40 -4.024 3.427 -0.301 1.00 0.00 C ATOM 670 C ASN A 40 -4.125 3.453 1.212 1.00 0.00 C ATOM 671 O ASN A 40 -4.367 4.506 1.802 1.00 0.00 O ATOM 672 CB ASN A 40 -2.720 4.119 -0.740 1.00 0.00 C ATOM 673 CG ASN A 40 -2.932 4.931 -2.012 1.00 0.00 C ATOM 674 OD1 ASN A 40 -2.551 6.101 -2.077 1.00 0.00 O ATOM 675 ND2 ASN A 40 -3.525 4.383 -3.034 1.00 0.00 N ATOM 0 H ASN A 40 -5.009 4.968 -1.327 1.00 0.00 H new ATOM 0 HA ASN A 40 -4.002 2.390 -0.636 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -2.365 4.772 0.057 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -1.946 3.370 -0.907 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -3.674 4.922 -3.887 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -3.841 3.415 -2.981 1.00 0.00 H new ATOM 682 N PRO A 41 -3.886 2.337 1.855 1.00 0.00 N ATOM 683 CA PRO A 41 -3.899 2.245 3.343 1.00 0.00 C ATOM 684 C PRO A 41 -2.689 2.943 3.956 1.00 0.00 C ATOM 685 O PRO A 41 -1.648 3.074 3.309 1.00 0.00 O ATOM 686 CB PRO A 41 -3.866 0.738 3.608 1.00 0.00 C ATOM 687 CG PRO A 41 -3.145 0.172 2.431 1.00 0.00 C ATOM 688 CD PRO A 41 -3.572 1.031 1.233 1.00 0.00 C ATOM 0 HA PRO A 41 -4.765 2.735 3.788 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -3.348 0.509 4.539 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -4.872 0.327 3.693 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -2.065 0.211 2.577 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -3.408 -0.874 2.276 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -2.776 1.117 0.494 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -4.437 0.609 0.722 1.00 0.00 H new ATOM 696 N SER A 42 -2.826 3.373 5.198 1.00 0.00 N ATOM 697 CA SER A 42 -1.739 4.037 5.899 1.00 0.00 C ATOM 698 C SER A 42 -0.540 3.102 5.997 1.00 0.00 C ATOM 699 O SER A 42 -0.688 1.875 5.892 1.00 0.00 O ATOM 700 CB SER A 42 -2.195 4.459 7.298 1.00 0.00 C ATOM 701 OG SER A 42 -3.470 5.093 7.213 1.00 0.00 O ATOM 0 H SER A 42 -3.682 3.274 5.744 1.00 0.00 H new ATOM 0 HA SER A 42 -1.449 4.928 5.343 1.00 0.00 H new ATOM 0 HB2 SER A 42 -2.253 3.588 7.951 1.00 0.00 H new ATOM 0 HB3 SER A 42 -1.467 5.140 7.739 1.00 0.00 H new ATOM 0 HG SER A 42 -3.762 5.361 8.109 1.00 0.00 H new ATOM 707 N LEU A 43 0.642 3.665 6.171 1.00 0.00 N ATOM 708 CA LEU A 43 1.846 2.854 6.187 1.00 0.00 C ATOM 709 C LEU A 43 1.801 1.845 7.295 1.00 0.00 C ATOM 710 O LEU A 43 2.116 0.682 7.080 1.00 0.00 O ATOM 711 CB LEU A 43 3.098 3.721 6.336 1.00 0.00 C ATOM 712 CG LEU A 43 3.448 4.361 4.993 1.00 0.00 C ATOM 713 CD1 LEU A 43 4.610 5.336 5.187 1.00 0.00 C ATOM 714 CD2 LEU A 43 3.863 3.263 4.008 1.00 0.00 C ATOM 0 H LEU A 43 0.794 4.665 6.301 1.00 0.00 H new ATOM 0 HA LEU A 43 1.894 2.331 5.232 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.929 4.495 7.085 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.932 3.114 6.688 1.00 0.00 H new ATOM 0 HG LEU A 43 2.584 4.898 4.602 1.00 0.00 H new ATOM 0 HD11 LEU A 43 4.863 5.795 4.231 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.320 6.111 5.896 1.00 0.00 H new ATOM 0 HD13 LEU A 43 5.476 4.798 5.572 1.00 0.00 H new ATOM 0 HD21 LEU A 43 4.114 3.712 3.047 1.00 0.00 H new ATOM 0 HD22 LEU A 43 4.731 2.733 4.399 1.00 0.00 H new ATOM 0 HD23 LEU A 43 3.039 2.562 3.876 1.00 0.00 H new ATOM 726 N GLN A 44 1.348 2.252 8.460 1.00 0.00 N ATOM 727 CA GLN A 44 1.252 1.311 9.549 1.00 0.00 C ATOM 728 C GLN A 44 0.359 0.152 9.145 1.00 0.00 C ATOM 729 O GLN A 44 0.730 -1.014 9.294 1.00 0.00 O ATOM 730 CB GLN A 44 0.718 1.981 10.814 1.00 0.00 C ATOM 731 CG GLN A 44 1.150 1.185 12.043 1.00 0.00 C ATOM 732 CD GLN A 44 0.419 -0.130 12.064 1.00 0.00 C ATOM 733 OE1 GLN A 44 1.020 -1.166 12.336 1.00 0.00 O ATOM 734 NE2 GLN A 44 -0.840 -0.158 11.774 1.00 0.00 N ATOM 0 H GLN A 44 1.048 3.203 8.673 1.00 0.00 H new ATOM 0 HA GLN A 44 2.251 0.936 9.770 1.00 0.00 H new ATOM 0 HB2 GLN A 44 1.092 3.003 10.881 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -0.370 2.042 10.773 1.00 0.00 H new ATOM 0 HG2 GLN A 44 2.227 1.016 12.021 1.00 0.00 H new ATOM 0 HG3 GLN A 44 0.934 1.749 12.950 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -1.331 0.707 11.549 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -1.343 -1.045 11.770 1.00 0.00 H new ATOM 743 N LEU A 45 -0.779 0.474 8.564 1.00 0.00 N ATOM 744 CA LEU A 45 -1.681 -0.551 8.083 1.00 0.00 C ATOM 745 C LEU A 45 -0.981 -1.362 7.002 1.00 0.00 C ATOM 746 O LEU A 45 -0.958 -2.592 7.047 1.00 0.00 O ATOM 747 CB LEU A 45 -2.981 0.088 7.542 1.00 0.00 C ATOM 748 CG LEU A 45 -4.142 -0.936 7.490 1.00 0.00 C ATOM 749 CD1 LEU A 45 -3.917 -1.938 6.364 1.00 0.00 C ATOM 750 CD2 LEU A 45 -4.271 -1.681 8.823 1.00 0.00 C ATOM 0 H LEU A 45 -1.099 1.431 8.414 1.00 0.00 H new ATOM 0 HA LEU A 45 -1.954 -1.214 8.904 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.265 0.928 8.175 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -2.803 0.487 6.544 1.00 0.00 H new ATOM 0 HG LEU A 45 -5.065 -0.388 7.303 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -4.741 -2.651 6.341 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -3.867 -1.410 5.412 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -2.981 -2.471 6.533 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.093 -2.395 8.763 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.343 -2.213 9.034 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.469 -0.966 9.622 1.00 0.00 H new ATOM 762 N ALA A 46 -0.296 -0.663 6.104 1.00 0.00 N ATOM 763 CA ALA A 46 0.481 -1.318 5.058 1.00 0.00 C ATOM 764 C ALA A 46 1.549 -2.209 5.668 1.00 0.00 C ATOM 765 O ALA A 46 1.770 -3.331 5.214 1.00 0.00 O ATOM 766 CB ALA A 46 1.143 -0.281 4.144 1.00 0.00 C ATOM 0 H ALA A 46 -0.263 0.356 6.079 1.00 0.00 H new ATOM 0 HA ALA A 46 -0.201 -1.928 4.466 1.00 0.00 H new ATOM 0 HB1 ALA A 46 1.718 -0.791 3.371 1.00 0.00 H new ATOM 0 HB2 ALA A 46 0.375 0.336 3.678 1.00 0.00 H new ATOM 0 HB3 ALA A 46 1.808 0.351 4.733 1.00 0.00 H new ATOM 772 N LEU A 47 2.182 -1.723 6.723 1.00 0.00 N ATOM 773 CA LEU A 47 3.200 -2.503 7.401 1.00 0.00 C ATOM 774 C LEU A 47 2.594 -3.769 7.963 1.00 0.00 C ATOM 775 O LEU A 47 3.146 -4.851 7.788 1.00 0.00 O ATOM 776 CB LEU A 47 3.879 -1.691 8.513 1.00 0.00 C ATOM 777 CG LEU A 47 4.747 -0.580 7.900 1.00 0.00 C ATOM 778 CD1 LEU A 47 5.255 0.344 9.007 1.00 0.00 C ATOM 779 CD2 LEU A 47 5.950 -1.194 7.169 1.00 0.00 C ATOM 0 H LEU A 47 2.010 -0.801 7.124 1.00 0.00 H new ATOM 0 HA LEU A 47 3.966 -2.769 6.672 1.00 0.00 H new ATOM 0 HB2 LEU A 47 3.125 -1.255 9.168 1.00 0.00 H new ATOM 0 HB3 LEU A 47 4.495 -2.347 9.129 1.00 0.00 H new ATOM 0 HG LEU A 47 4.144 -0.013 7.192 1.00 0.00 H new ATOM 0 HD11 LEU A 47 5.870 1.131 8.570 1.00 0.00 H new ATOM 0 HD12 LEU A 47 4.407 0.792 9.525 1.00 0.00 H new ATOM 0 HD13 LEU A 47 5.851 -0.231 9.716 1.00 0.00 H new ATOM 0 HD21 LEU A 47 6.559 -0.399 6.738 1.00 0.00 H new ATOM 0 HD22 LEU A 47 6.550 -1.768 7.875 1.00 0.00 H new ATOM 0 HD23 LEU A 47 5.596 -1.851 6.374 1.00 0.00 H new ATOM 791 N LYS A 48 1.405 -3.655 8.530 1.00 0.00 N ATOM 792 CA LYS A 48 0.692 -4.831 8.995 1.00 0.00 C ATOM 793 C LYS A 48 0.374 -5.750 7.836 1.00 0.00 C ATOM 794 O LYS A 48 0.519 -6.974 7.942 1.00 0.00 O ATOM 795 CB LYS A 48 -0.592 -4.442 9.720 1.00 0.00 C ATOM 796 CG LYS A 48 -0.246 -3.798 11.076 1.00 0.00 C ATOM 797 CD LYS A 48 -1.537 -3.411 11.796 1.00 0.00 C ATOM 798 CE LYS A 48 -1.237 -2.932 13.226 1.00 0.00 C ATOM 799 NZ LYS A 48 -2.515 -2.719 13.961 1.00 0.00 N ATOM 0 H LYS A 48 0.918 -2.771 8.678 1.00 0.00 H new ATOM 0 HA LYS A 48 1.337 -5.358 9.698 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -1.168 -3.745 9.112 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -1.216 -5.322 9.873 1.00 0.00 H new ATOM 0 HG2 LYS A 48 0.329 -4.494 11.686 1.00 0.00 H new ATOM 0 HG3 LYS A 48 0.377 -2.917 10.924 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -2.046 -2.622 11.242 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -2.213 -4.266 11.827 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -0.625 -3.669 13.746 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -0.664 -2.005 13.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -2.310 -2.395 14.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -3.083 -2.001 13.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -3.046 -3.613 14.001 1.00 0.00 H new ATOM 813 N ILE A 49 -0.039 -5.167 6.725 1.00 0.00 N ATOM 814 CA ILE A 49 -0.370 -5.954 5.552 1.00 0.00 C ATOM 815 C ILE A 49 0.876 -6.675 5.088 1.00 0.00 C ATOM 816 O ILE A 49 0.849 -7.859 4.767 1.00 0.00 O ATOM 817 CB ILE A 49 -0.875 -5.035 4.420 1.00 0.00 C ATOM 818 CG1 ILE A 49 -2.201 -4.413 4.833 1.00 0.00 C ATOM 819 CG2 ILE A 49 -1.091 -5.849 3.135 1.00 0.00 C ATOM 820 CD1 ILE A 49 -2.620 -3.353 3.810 1.00 0.00 C ATOM 0 H ILE A 49 -0.152 -4.160 6.611 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.154 -6.669 5.803 1.00 0.00 H new ATOM 0 HB ILE A 49 -0.133 -4.258 4.237 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -2.968 -5.184 4.905 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -2.109 -3.961 5.821 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -1.447 -5.191 2.343 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -0.149 -6.306 2.831 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.830 -6.629 3.318 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -3.570 -2.912 4.112 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -1.858 -2.575 3.759 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.730 -3.817 2.830 1.00 0.00 H new ATOM 832 N ALA A 50 1.968 -5.944 5.058 1.00 0.00 N ATOM 833 CA ALA A 50 3.233 -6.496 4.622 1.00 0.00 C ATOM 834 C ALA A 50 3.806 -7.462 5.654 1.00 0.00 C ATOM 835 O ALA A 50 4.172 -8.602 5.327 1.00 0.00 O ATOM 836 CB ALA A 50 4.235 -5.359 4.364 1.00 0.00 C ATOM 0 H ALA A 50 2.006 -4.962 5.331 1.00 0.00 H new ATOM 0 HA ALA A 50 3.058 -7.051 3.700 1.00 0.00 H new ATOM 0 HB1 ALA A 50 5.186 -5.779 4.036 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.844 -4.698 3.590 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.387 -4.792 5.283 1.00 0.00 H new ATOM 842 N TYR A 51 3.955 -6.965 6.876 1.00 0.00 N ATOM 843 CA TYR A 51 4.633 -7.697 7.934 1.00 0.00 C ATOM 844 C TYR A 51 3.943 -9.010 8.264 1.00 0.00 C ATOM 845 O TYR A 51 4.586 -10.067 8.275 1.00 0.00 O ATOM 846 CB TYR A 51 4.718 -6.821 9.190 1.00 0.00 C ATOM 847 CG TYR A 51 5.412 -7.570 10.302 1.00 0.00 C ATOM 848 CD1 TYR A 51 6.803 -7.685 10.289 1.00 0.00 C ATOM 849 CD2 TYR A 51 4.669 -8.139 11.348 1.00 0.00 C ATOM 850 CE1 TYR A 51 7.454 -8.363 11.312 1.00 0.00 C ATOM 851 CE2 TYR A 51 5.329 -8.819 12.379 1.00 0.00 C ATOM 852 CZ TYR A 51 6.722 -8.929 12.356 1.00 0.00 C ATOM 853 OH TYR A 51 7.385 -9.584 13.366 1.00 0.00 O ATOM 0 H TYR A 51 3.610 -6.048 7.159 1.00 0.00 H new ATOM 0 HA TYR A 51 5.634 -7.940 7.577 1.00 0.00 H new ATOM 0 HB2 TYR A 51 5.261 -5.903 8.966 1.00 0.00 H new ATOM 0 HB3 TYR A 51 3.717 -6.530 9.507 1.00 0.00 H new ATOM 0 HD1 TYR A 51 7.373 -7.247 9.483 1.00 0.00 H new ATOM 0 HD2 TYR A 51 3.592 -8.053 11.358 1.00 0.00 H new ATOM 0 HE1 TYR A 51 8.530 -8.452 11.299 1.00 0.00 H new ATOM 0 HE2 TYR A 51 4.764 -9.257 13.189 1.00 0.00 H new ATOM 0 HH TYR A 51 6.736 -9.921 14.018 1.00 0.00 H new ATOM 863 N TYR A 52 2.632 -8.967 8.500 1.00 0.00 N ATOM 864 CA TYR A 52 1.925 -10.201 8.790 1.00 0.00 C ATOM 865 C TYR A 52 1.980 -11.125 7.608 1.00 0.00 C ATOM 866 O TYR A 52 2.201 -12.324 7.751 1.00 0.00 O ATOM 867 CB TYR A 52 0.459 -9.979 9.163 1.00 0.00 C ATOM 868 CG TYR A 52 -0.148 -11.354 9.342 1.00 0.00 C ATOM 869 CD1 TYR A 52 -0.002 -12.029 10.559 1.00 0.00 C ATOM 870 CD2 TYR A 52 -0.802 -11.976 8.271 1.00 0.00 C ATOM 871 CE1 TYR A 52 -0.512 -13.322 10.705 1.00 0.00 C ATOM 872 CE2 TYR A 52 -1.324 -13.264 8.422 1.00 0.00 C ATOM 873 CZ TYR A 52 -1.177 -13.937 9.641 1.00 0.00 C ATOM 874 OH TYR A 52 -1.676 -15.215 9.788 1.00 0.00 O ATOM 0 H TYR A 52 2.061 -8.122 8.496 1.00 0.00 H new ATOM 0 HA TYR A 52 2.429 -10.641 9.651 1.00 0.00 H new ATOM 0 HB2 TYR A 52 0.375 -9.395 10.080 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -0.061 -9.423 8.382 1.00 0.00 H new ATOM 0 HD1 TYR A 52 0.504 -11.551 11.385 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -0.903 -11.460 7.328 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -0.392 -13.847 11.641 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -1.839 -13.739 7.600 1.00 0.00 H new ATOM 0 HH TYR A 52 -2.110 -15.494 8.955 1.00 0.00 H new ATOM 884 N LEU A 53 1.667 -10.584 6.449 1.00 0.00 N ATOM 885 CA LEU A 53 1.564 -11.396 5.266 1.00 0.00 C ATOM 886 C LEU A 53 2.894 -12.033 4.946 1.00 0.00 C ATOM 887 O LEU A 53 2.924 -13.170 4.510 1.00 0.00 O ATOM 888 CB LEU A 53 1.001 -10.611 4.069 1.00 0.00 C ATOM 889 CG LEU A 53 0.382 -11.563 3.010 1.00 0.00 C ATOM 890 CD1 LEU A 53 1.463 -12.133 2.106 1.00 0.00 C ATOM 891 CD2 LEU A 53 -0.367 -12.716 3.687 1.00 0.00 C ATOM 0 H LEU A 53 1.481 -9.591 6.306 1.00 0.00 H new ATOM 0 HA LEU A 53 0.848 -12.192 5.471 1.00 0.00 H new ATOM 0 HB2 LEU A 53 0.244 -9.908 4.416 1.00 0.00 H new ATOM 0 HB3 LEU A 53 1.796 -10.022 3.611 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.320 -10.982 2.412 1.00 0.00 H new ATOM 0 HD11 LEU A 53 1.009 -12.798 1.371 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.974 -11.319 1.592 1.00 0.00 H new ATOM 0 HD13 LEU A 53 2.181 -12.692 2.706 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.792 -13.370 2.926 1.00 0.00 H new ATOM 0 HD22 LEU A 53 0.325 -13.284 4.308 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -1.167 -12.315 4.309 1.00 0.00 H new ATOM 903 N ASN A 54 3.989 -11.273 5.151 1.00 0.00 N ATOM 904 CA ASN A 54 5.386 -11.723 4.885 1.00 0.00 C ATOM 905 C ASN A 54 5.997 -10.910 3.763 1.00 0.00 C ATOM 906 O ASN A 54 6.946 -11.354 3.096 1.00 0.00 O ATOM 907 CB ASN A 54 5.449 -13.210 4.495 1.00 0.00 C ATOM 908 CG ASN A 54 5.107 -13.368 3.016 1.00 0.00 C ATOM 909 OD1 ASN A 54 5.518 -14.331 2.384 1.00 0.00 O ATOM 910 ND2 ASN A 54 4.375 -12.470 2.426 1.00 0.00 N ATOM 0 H ASN A 54 3.936 -10.319 5.509 1.00 0.00 H new ATOM 0 HA ASN A 54 5.944 -11.578 5.810 1.00 0.00 H new ATOM 0 HB2 ASN A 54 6.445 -13.606 4.692 1.00 0.00 H new ATOM 0 HB3 ASN A 54 4.751 -13.785 5.103 1.00 0.00 H new ATOM 0 HD21 ASN A 54 4.144 -12.569 1.437 1.00 0.00 H new ATOM 0 HD22 ASN A 54 4.031 -11.666 2.952 1.00 0.00 H new ATOM 917 N THR A 55 5.367 -9.817 3.456 1.00 0.00 N ATOM 918 CA THR A 55 5.711 -9.048 2.301 1.00 0.00 C ATOM 919 C THR A 55 6.484 -7.810 2.685 1.00 0.00 C ATOM 920 O THR A 55 6.079 -7.078 3.588 1.00 0.00 O ATOM 921 CB THR A 55 4.417 -8.630 1.604 1.00 0.00 C ATOM 922 OG1 THR A 55 3.399 -9.587 1.881 1.00 0.00 O ATOM 923 CG2 THR A 55 4.635 -8.524 0.103 1.00 0.00 C ATOM 0 H THR A 55 4.596 -9.432 4.003 1.00 0.00 H new ATOM 0 HA THR A 55 6.336 -9.652 1.643 1.00 0.00 H new ATOM 0 HB THR A 55 4.110 -7.654 1.979 1.00 0.00 H new ATOM 0 HG1 THR A 55 2.520 -9.189 1.707 1.00 0.00 H new ATOM 0 HG21 THR A 55 3.704 -8.225 -0.380 1.00 0.00 H new ATOM 0 HG22 THR A 55 5.405 -7.780 -0.101 1.00 0.00 H new ATOM 0 HG23 THR A 55 4.952 -9.491 -0.288 1.00 0.00 H new ATOM 931 N PRO A 56 7.491 -7.472 1.937 1.00 0.00 N ATOM 932 CA PRO A 56 8.170 -6.181 2.102 1.00 0.00 C ATOM 933 C PRO A 56 7.234 -5.076 1.647 1.00 0.00 C ATOM 934 O PRO A 56 6.359 -5.307 0.807 1.00 0.00 O ATOM 935 CB PRO A 56 9.398 -6.293 1.196 1.00 0.00 C ATOM 936 CG PRO A 56 9.000 -7.271 0.147 1.00 0.00 C ATOM 937 CD PRO A 56 8.089 -8.277 0.852 1.00 0.00 C ATOM 0 HA PRO A 56 8.453 -5.951 3.129 1.00 0.00 H new ATOM 0 HB2 PRO A 56 9.659 -5.328 0.761 1.00 0.00 H new ATOM 0 HB3 PRO A 56 10.270 -6.639 1.751 1.00 0.00 H new ATOM 0 HG2 PRO A 56 8.479 -6.777 -0.673 1.00 0.00 H new ATOM 0 HG3 PRO A 56 9.873 -7.764 -0.281 1.00 0.00 H new ATOM 0 HD2 PRO A 56 7.330 -8.676 0.179 1.00 0.00 H new ATOM 0 HD3 PRO A 56 8.650 -9.127 1.241 1.00 0.00 H new ATOM 945 N LEU A 57 7.395 -3.899 2.197 1.00 0.00 N ATOM 946 CA LEU A 57 6.521 -2.790 1.855 1.00 0.00 C ATOM 947 C LEU A 57 6.621 -2.555 0.348 1.00 0.00 C ATOM 948 O LEU A 57 5.634 -2.243 -0.321 1.00 0.00 O ATOM 949 CB LEU A 57 6.961 -1.529 2.631 1.00 0.00 C ATOM 950 CG LEU A 57 5.780 -0.556 2.848 1.00 0.00 C ATOM 951 CD1 LEU A 57 5.102 -0.214 1.522 1.00 0.00 C ATOM 952 CD2 LEU A 57 4.753 -1.181 3.801 1.00 0.00 C ATOM 0 H LEU A 57 8.118 -3.678 2.881 1.00 0.00 H new ATOM 0 HA LEU A 57 5.489 -3.014 2.124 1.00 0.00 H new ATOM 0 HB2 LEU A 57 7.375 -1.821 3.596 1.00 0.00 H new ATOM 0 HB3 LEU A 57 7.755 -1.022 2.083 1.00 0.00 H new ATOM 0 HG LEU A 57 6.174 0.362 3.285 1.00 0.00 H new ATOM 0 HD11 LEU A 57 4.274 0.472 1.703 1.00 0.00 H new ATOM 0 HD12 LEU A 57 5.824 0.256 0.855 1.00 0.00 H new ATOM 0 HD13 LEU A 57 4.723 -1.126 1.061 1.00 0.00 H new ATOM 0 HD21 LEU A 57 3.924 -0.488 3.948 1.00 0.00 H new ATOM 0 HD22 LEU A 57 4.377 -2.110 3.373 1.00 0.00 H new ATOM 0 HD23 LEU A 57 5.226 -1.389 4.760 1.00 0.00 H new ATOM 964 N GLU A 58 7.823 -2.753 -0.171 1.00 0.00 N ATOM 965 CA GLU A 58 8.113 -2.562 -1.581 1.00 0.00 C ATOM 966 C GLU A 58 7.266 -3.494 -2.463 1.00 0.00 C ATOM 967 O GLU A 58 6.805 -3.086 -3.532 1.00 0.00 O ATOM 968 CB GLU A 58 9.598 -2.850 -1.827 1.00 0.00 C ATOM 969 CG GLU A 58 10.449 -1.789 -1.113 1.00 0.00 C ATOM 970 CD GLU A 58 11.919 -2.125 -1.234 1.00 0.00 C ATOM 971 OE1 GLU A 58 12.251 -3.290 -1.142 1.00 0.00 O ATOM 972 OE2 GLU A 58 12.699 -1.226 -1.407 1.00 0.00 O ATOM 0 H GLU A 58 8.628 -3.052 0.379 1.00 0.00 H new ATOM 0 HA GLU A 58 7.870 -1.533 -1.844 1.00 0.00 H new ATOM 0 HB2 GLU A 58 9.853 -3.844 -1.459 1.00 0.00 H new ATOM 0 HB3 GLU A 58 9.809 -2.842 -2.896 1.00 0.00 H new ATOM 0 HG2 GLU A 58 10.257 -0.807 -1.546 1.00 0.00 H new ATOM 0 HG3 GLU A 58 10.167 -1.734 -0.062 1.00 0.00 H new ATOM 979 N ASP A 59 7.108 -4.757 -2.051 1.00 0.00 N ATOM 980 CA ASP A 59 6.316 -5.710 -2.852 1.00 0.00 C ATOM 981 C ASP A 59 4.866 -5.302 -2.934 1.00 0.00 C ATOM 982 O ASP A 59 4.262 -5.366 -4.010 1.00 0.00 O ATOM 983 CB ASP A 59 6.420 -7.158 -2.332 1.00 0.00 C ATOM 984 CG ASP A 59 7.630 -7.880 -2.895 1.00 0.00 C ATOM 985 OD1 ASP A 59 8.298 -7.335 -3.740 1.00 0.00 O ATOM 986 OD2 ASP A 59 7.867 -8.991 -2.480 1.00 0.00 O ATOM 0 H ASP A 59 7.504 -5.140 -1.193 1.00 0.00 H new ATOM 0 HA ASP A 59 6.748 -5.683 -3.852 1.00 0.00 H new ATOM 0 HB2 ASP A 59 6.478 -7.149 -1.244 1.00 0.00 H new ATOM 0 HB3 ASP A 59 5.515 -7.705 -2.599 1.00 0.00 H new ATOM 991 N ILE A 60 4.310 -4.869 -1.814 1.00 0.00 N ATOM 992 CA ILE A 60 2.925 -4.438 -1.798 1.00 0.00 C ATOM 993 C ILE A 60 2.778 -3.040 -2.353 1.00 0.00 C ATOM 994 O ILE A 60 2.261 -2.859 -3.456 1.00 0.00 O ATOM 995 CB ILE A 60 2.274 -4.573 -0.398 1.00 0.00 C ATOM 996 CG1 ILE A 60 3.165 -3.959 0.693 1.00 0.00 C ATOM 997 CG2 ILE A 60 2.013 -6.046 -0.079 1.00 0.00 C ATOM 998 CD1 ILE A 60 2.432 -4.018 2.037 1.00 0.00 C ATOM 0 H ILE A 60 4.790 -4.808 -0.916 1.00 0.00 H new ATOM 0 HA ILE A 60 2.378 -5.114 -2.455 1.00 0.00 H new ATOM 0 HB ILE A 60 1.329 -4.030 -0.415 1.00 0.00 H new ATOM 0 HG12 ILE A 60 4.108 -4.501 0.756 1.00 0.00 H new ATOM 0 HG13 ILE A 60 3.407 -2.926 0.443 1.00 0.00 H new ATOM 0 HG21 ILE A 60 1.556 -6.129 0.907 1.00 0.00 H new ATOM 0 HG22 ILE A 60 1.342 -6.467 -0.827 1.00 0.00 H new ATOM 0 HG23 ILE A 60 2.956 -6.593 -0.089 1.00 0.00 H new ATOM 0 HD11 ILE A 60 3.061 -3.583 2.814 1.00 0.00 H new ATOM 0 HD12 ILE A 60 1.500 -3.457 1.968 1.00 0.00 H new ATOM 0 HD13 ILE A 60 2.213 -5.056 2.287 1.00 0.00 H new ATOM 1010 N PHE A 61 3.338 -2.067 -1.666 1.00 0.00 N ATOM 1011 CA PHE A 61 3.286 -0.711 -2.150 1.00 0.00 C ATOM 1012 C PHE A 61 4.641 -0.274 -2.617 1.00 0.00 C ATOM 1013 O PHE A 61 5.490 0.161 -1.828 1.00 0.00 O ATOM 1014 CB PHE A 61 2.746 0.242 -1.076 1.00 0.00 C ATOM 1015 CG PHE A 61 1.383 -0.234 -0.628 1.00 0.00 C ATOM 1016 CD1 PHE A 61 0.270 -0.023 -1.447 1.00 0.00 C ATOM 1017 CD2 PHE A 61 1.233 -0.891 0.595 1.00 0.00 C ATOM 1018 CE1 PHE A 61 -0.994 -0.467 -1.044 1.00 0.00 C ATOM 1019 CE2 PHE A 61 -0.031 -1.337 0.999 1.00 0.00 C ATOM 1020 CZ PHE A 61 -1.146 -1.125 0.181 1.00 0.00 C ATOM 0 H PHE A 61 3.829 -2.191 -0.780 1.00 0.00 H new ATOM 0 HA PHE A 61 2.599 -0.678 -2.996 1.00 0.00 H new ATOM 0 HB2 PHE A 61 3.429 0.277 -0.227 1.00 0.00 H new ATOM 0 HB3 PHE A 61 2.678 1.255 -1.473 1.00 0.00 H new ATOM 0 HD1 PHE A 61 0.386 0.484 -2.393 1.00 0.00 H new ATOM 0 HD2 PHE A 61 2.092 -1.055 1.229 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -1.852 -0.302 -1.679 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -0.146 -1.846 1.945 1.00 0.00 H new ATOM 0 HZ PHE A 61 -2.121 -1.468 0.494 1.00 0.00 H new ATOM 1030 N GLN A 62 4.816 -0.314 -3.918 1.00 0.00 N ATOM 1031 CA GLN A 62 6.041 0.127 -4.535 1.00 0.00 C ATOM 1032 C GLN A 62 6.182 1.581 -4.231 1.00 0.00 C ATOM 1033 O GLN A 62 7.287 2.122 -4.140 1.00 0.00 O ATOM 1034 CB GLN A 62 5.930 -0.041 -6.040 1.00 0.00 C ATOM 1035 CG GLN A 62 5.695 -1.517 -6.347 1.00 0.00 C ATOM 1036 CD GLN A 62 5.611 -1.780 -7.842 1.00 0.00 C ATOM 1037 OE1 GLN A 62 5.809 -0.876 -8.645 1.00 0.00 O ATOM 1038 NE2 GLN A 62 5.317 -2.964 -8.265 1.00 0.00 N ATOM 0 H GLN A 62 4.113 -0.653 -4.575 1.00 0.00 H new ATOM 0 HA GLN A 62 6.892 -0.446 -4.166 1.00 0.00 H new ATOM 0 HB2 GLN A 62 5.109 0.562 -6.429 1.00 0.00 H new ATOM 0 HB3 GLN A 62 6.840 0.307 -6.528 1.00 0.00 H new ATOM 0 HG2 GLN A 62 6.504 -2.110 -5.919 1.00 0.00 H new ATOM 0 HG3 GLN A 62 4.772 -1.845 -5.869 1.00 0.00 H new ATOM 0 HE21 GLN A 62 5.152 -3.718 -7.598 1.00 0.00 H new ATOM 0 HE22 GLN A 62 5.250 -3.146 -9.266 1.00 0.00 H new ATOM 1047 N TRP A 63 5.034 2.227 -4.140 1.00 0.00 N ATOM 1048 CA TRP A 63 4.967 3.643 -3.909 1.00 0.00 C ATOM 1049 C TRP A 63 5.923 4.348 -4.843 1.00 0.00 C ATOM 1050 O TRP A 63 6.811 5.094 -4.415 1.00 0.00 O ATOM 1051 CB TRP A 63 5.279 3.972 -2.447 1.00 0.00 C ATOM 1052 CG TRP A 63 4.513 5.183 -2.045 1.00 0.00 C ATOM 1053 CD1 TRP A 63 4.597 6.394 -2.645 1.00 0.00 C ATOM 1054 CD2 TRP A 63 3.545 5.324 -0.971 1.00 0.00 C ATOM 1055 NE1 TRP A 63 3.751 7.267 -1.992 1.00 0.00 N ATOM 1056 CE2 TRP A 63 3.081 6.658 -0.957 1.00 0.00 C ATOM 1057 CE3 TRP A 63 3.036 4.434 -0.011 1.00 0.00 C ATOM 1058 CZ2 TRP A 63 2.142 7.094 -0.032 1.00 0.00 C ATOM 1059 CZ3 TRP A 63 2.089 4.870 0.926 1.00 0.00 C ATOM 1060 CH2 TRP A 63 1.647 6.199 0.916 1.00 0.00 C ATOM 0 H TRP A 63 4.123 1.775 -4.226 1.00 0.00 H new ATOM 0 HA TRP A 63 3.954 3.992 -4.111 1.00 0.00 H new ATOM 0 HB2 TRP A 63 5.014 3.130 -1.807 1.00 0.00 H new ATOM 0 HB3 TRP A 63 6.348 4.144 -2.320 1.00 0.00 H new ATOM 0 HD1 TRP A 63 5.221 6.636 -3.492 1.00 0.00 H new ATOM 0 HE1 TRP A 63 3.636 8.248 -2.247 1.00 0.00 H new ATOM 0 HE3 TRP A 63 3.376 3.409 0.005 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 1.798 8.118 -0.046 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 1.699 4.179 1.658 1.00 0.00 H new ATOM 0 HH2 TRP A 63 0.922 6.531 1.644 1.00 0.00 H new ATOM 1071 N GLN A 64 5.716 4.124 -6.121 1.00 0.00 N ATOM 1072 CA GLN A 64 6.505 4.765 -7.141 1.00 0.00 C ATOM 1073 C GLN A 64 6.331 6.273 -6.996 1.00 0.00 C ATOM 1074 O GLN A 64 5.352 6.721 -6.395 1.00 0.00 O ATOM 1075 CB GLN A 64 6.043 4.299 -8.532 1.00 0.00 C ATOM 1076 CG GLN A 64 5.878 2.758 -8.565 1.00 0.00 C ATOM 1077 CD GLN A 64 7.021 2.124 -9.352 1.00 0.00 C ATOM 1078 OE1 GLN A 64 7.684 2.792 -10.144 1.00 0.00 O ATOM 1079 NE2 GLN A 64 7.285 0.875 -9.201 1.00 0.00 N ATOM 0 H GLN A 64 4.998 3.494 -6.479 1.00 0.00 H new ATOM 0 HA GLN A 64 7.557 4.502 -7.031 1.00 0.00 H new ATOM 0 HB2 GLN A 64 5.097 4.777 -8.786 1.00 0.00 H new ATOM 0 HB3 GLN A 64 6.768 4.609 -9.285 1.00 0.00 H new ATOM 0 HG2 GLN A 64 5.864 2.364 -7.549 1.00 0.00 H new ATOM 0 HG3 GLN A 64 4.923 2.497 -9.021 1.00 0.00 H new ATOM 0 HE21 GLN A 64 6.740 0.314 -8.546 1.00 0.00 H new ATOM 0 HE22 GLN A 64 8.040 0.445 -9.736 1.00 0.00 H new ATOM 1088 N PRO A 65 7.257 7.061 -7.475 1.00 0.00 N ATOM 1089 CA PRO A 65 7.197 8.546 -7.305 1.00 0.00 C ATOM 1090 C PRO A 65 5.863 9.120 -7.763 1.00 0.00 C ATOM 1091 O PRO A 65 5.310 9.999 -7.101 1.00 0.00 O ATOM 1092 CB PRO A 65 8.325 9.047 -8.207 1.00 0.00 C ATOM 1093 CG PRO A 65 9.300 7.918 -8.245 1.00 0.00 C ATOM 1094 CD PRO A 65 8.458 6.641 -8.227 1.00 0.00 C ATOM 0 HA PRO A 65 7.299 8.845 -6.262 1.00 0.00 H new ATOM 0 HB2 PRO A 65 7.958 9.289 -9.205 1.00 0.00 H new ATOM 0 HB3 PRO A 65 8.781 9.953 -7.807 1.00 0.00 H new ATOM 0 HG2 PRO A 65 9.919 7.966 -9.141 1.00 0.00 H new ATOM 0 HG3 PRO A 65 9.974 7.954 -7.389 1.00 0.00 H new ATOM 0 HD2 PRO A 65 8.210 6.304 -9.234 1.00 0.00 H new ATOM 0 HD3 PRO A 65 8.978 5.819 -7.735 1.00 0.00 H new ATOM 1102 N GLU A 66 5.356 8.600 -8.881 1.00 0.00 N ATOM 1103 CA GLU A 66 4.069 9.010 -9.474 1.00 0.00 C ATOM 1104 C GLU A 66 4.033 8.631 -10.946 1.00 0.00 C ATOM 1105 O GLU A 66 3.044 8.102 -11.385 1.00 0.00 O ATOM 1106 CB GLU A 66 3.828 10.522 -9.339 1.00 0.00 C ATOM 1107 CG GLU A 66 2.828 10.812 -8.213 1.00 0.00 C ATOM 1108 CD GLU A 66 2.604 12.302 -8.101 1.00 0.00 C ATOM 1109 OE1 GLU A 66 3.504 12.990 -7.665 1.00 0.00 O ATOM 1110 OE2 GLU A 66 1.539 12.744 -8.459 1.00 0.00 O ATOM 1111 OXT GLU A 66 5.002 8.889 -11.616 1.00 0.00 O ATOM 0 H GLU A 66 5.830 7.870 -9.413 1.00 0.00 H new ATOM 0 HA GLU A 66 3.281 8.490 -8.929 1.00 0.00 H new ATOM 0 HB2 GLU A 66 4.771 11.029 -9.134 1.00 0.00 H new ATOM 0 HB3 GLU A 66 3.449 10.921 -10.280 1.00 0.00 H new ATOM 0 HG2 GLU A 66 1.883 10.307 -8.414 1.00 0.00 H new ATOM 0 HG3 GLU A 66 3.205 10.419 -7.269 1.00 0.00 H new TER 1118 GLU A 66