USER MOD reduce.3.24.130724 H: found=0, std=0, add=575, rem=0, adj=16 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 17 GLN : amide:sc= -1.62! C(o=-1.2!,f=-21!) USER MOD Set 1.2: A 36 LYS NZ :NH3+ 169:sc= 0.38! (180deg=-0.0609) USER MOD Set 2.1: A 13 LYS NZ :NH3+ 162:sc= 0.175! (180deg=-0.0856) USER MOD Set 2.2: A 55 THR OG1 : rot -47:sc= -1.02! USER MOD Set 3.1: A 5 ASN : amide:sc= -4.09! C(o=-8.2!,f=-18!) USER MOD Set 3.2: A 40 ASN : amide:sc= -4.16! C(o=-8.2!,f=-16!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -163:sc= 0 (180deg=-0.266) USER MOD Single : A 4 ASN : amide:sc= -0.469 X(o=-0.47,f=-0.2) USER MOD Single : A 7 LYS NZ :NH3+ -125:sc= 0.477 (180deg=-2.52!) USER MOD Single : A 12 LYS NZ :NH3+ -142:sc= 0.958 (180deg=-0.369!) USER MOD Single : A 14 LYS NZ :NH3+ 161:sc= -0.114 (180deg=-0.762) USER MOD Single : A 16 SER OG : rot 69:sc= 0.00364 USER MOD Single : A 18 SER OG : rot 96:sc= 1.28 USER MOD Single : A 27 SER OG : rot 180:sc= 0.0509 USER MOD Single : A 29 GLN : amide:sc= -0.0145 K(o=-0.015,f=-1.1) USER MOD Single : A 30 THR OG1 : rot -79:sc= 1 USER MOD Single : A 32 ASN : amide:sc= -2.23! C(o=-2.2!,f=-5.3!) USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=-0.056) USER MOD Single : A 38 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0954) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 79:sc= 0.982 USER MOD Single : A 44 GLN : amide:sc= -0.251 X(o=-0.25,f=-0.26) 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 Single : A 54 ASN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 62 GLN : amide:sc= -0.269 X(o=-0.27,f=-0.27) USER MOD Single : A 64 GLN : amide:sc= -3.28! K(o=-3.3!,f=-0.28) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.561 7.442 -8.399 1.00 0.00 N ATOM 2 CA MET A 1 3.811 8.635 -8.027 1.00 0.00 C ATOM 3 C MET A 1 4.451 9.314 -6.816 1.00 0.00 C ATOM 4 O MET A 1 5.404 10.078 -6.957 1.00 0.00 O ATOM 5 CB MET A 1 2.350 8.278 -7.731 1.00 0.00 C ATOM 6 CG MET A 1 1.644 7.852 -9.021 1.00 0.00 C ATOM 7 SD MET A 1 -0.089 7.472 -8.658 1.00 0.00 S ATOM 8 CE MET A 1 -0.512 6.742 -10.255 1.00 0.00 C ATOM 0 H1 MET A 1 4.304 7.158 -9.366 1.00 0.00 H new ATOM 0 H2 MET A 1 5.580 7.646 -8.357 1.00 0.00 H new ATOM 0 H3 MET A 1 4.335 6.670 -7.740 1.00 0.00 H new ATOM 0 HA MET A 1 3.834 9.332 -8.865 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.305 7.472 -6.999 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.839 9.135 -7.293 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.706 8.648 -9.763 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.138 6.979 -9.448 1.00 0.00 H new ATOM 0 HE1 MET A 1 -1.557 6.433 -10.248 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.356 7.478 -11.044 1.00 0.00 H new ATOM 0 HE3 MET A 1 0.122 5.874 -10.438 1.00 0.00 H new ATOM 18 N ILE A 2 3.973 8.974 -5.633 1.00 0.00 N ATOM 19 CA ILE A 2 4.527 9.510 -4.400 1.00 0.00 C ATOM 20 C ILE A 2 5.310 8.431 -3.666 1.00 0.00 C ATOM 21 O ILE A 2 4.736 7.419 -3.235 1.00 0.00 O ATOM 22 CB ILE A 2 3.390 10.035 -3.511 1.00 0.00 C ATOM 23 CG1 ILE A 2 2.570 11.084 -4.277 1.00 0.00 C ATOM 24 CG2 ILE A 2 3.958 10.659 -2.236 1.00 0.00 C ATOM 25 CD1 ILE A 2 3.464 12.268 -4.666 1.00 0.00 C ATOM 0 H ILE A 2 3.198 8.325 -5.498 1.00 0.00 H new ATOM 0 HA ILE A 2 5.204 10.331 -4.638 1.00 0.00 H new ATOM 0 HB ILE A 2 2.745 9.199 -3.239 1.00 0.00 H new ATOM 0 HG12 ILE A 2 2.136 10.636 -5.171 1.00 0.00 H new ATOM 0 HG13 ILE A 2 1.741 11.431 -3.660 1.00 0.00 H new ATOM 0 HG21 ILE A 2 3.141 11.027 -1.616 1.00 0.00 H new ATOM 0 HG22 ILE A 2 4.523 9.908 -1.684 1.00 0.00 H new ATOM 0 HG23 ILE A 2 4.616 11.488 -2.498 1.00 0.00 H new ATOM 0 HD11 ILE A 2 2.874 13.007 -5.209 1.00 0.00 H new ATOM 0 HD12 ILE A 2 3.877 12.724 -3.766 1.00 0.00 H new ATOM 0 HD13 ILE A 2 4.278 11.917 -5.300 1.00 0.00 H new ATOM 37 N ILE A 3 6.595 8.673 -3.451 1.00 0.00 N ATOM 38 CA ILE A 3 7.418 7.726 -2.725 1.00 0.00 C ATOM 39 C ILE A 3 7.090 7.807 -1.237 1.00 0.00 C ATOM 40 O ILE A 3 7.947 8.100 -0.398 1.00 0.00 O ATOM 41 CB ILE A 3 8.917 7.982 -2.998 1.00 0.00 C ATOM 42 CG1 ILE A 3 9.164 8.022 -4.516 1.00 0.00 C ATOM 43 CG2 ILE A 3 9.767 6.858 -2.386 1.00 0.00 C ATOM 44 CD1 ILE A 3 8.712 6.705 -5.153 1.00 0.00 C ATOM 0 H ILE A 3 7.084 9.510 -3.767 1.00 0.00 H new ATOM 0 HA ILE A 3 7.201 6.715 -3.070 1.00 0.00 H new ATOM 0 HB ILE A 3 9.197 8.934 -2.548 1.00 0.00 H new ATOM 0 HG12 ILE A 3 8.620 8.856 -4.960 1.00 0.00 H new ATOM 0 HG13 ILE A 3 10.222 8.189 -4.717 1.00 0.00 H new ATOM 0 HG21 ILE A 3 10.821 7.050 -2.585 1.00 0.00 H new ATOM 0 HG22 ILE A 3 9.602 6.822 -1.309 1.00 0.00 H new ATOM 0 HG23 ILE A 3 9.482 5.904 -2.829 1.00 0.00 H new ATOM 0 HD11 ILE A 3 8.890 6.741 -6.228 1.00 0.00 H new ATOM 0 HD12 ILE A 3 9.275 5.879 -4.719 1.00 0.00 H new ATOM 0 HD13 ILE A 3 7.648 6.557 -4.966 1.00 0.00 H new ATOM 56 N ASN A 4 5.823 7.563 -0.938 1.00 0.00 N ATOM 57 CA ASN A 4 5.300 7.568 0.430 1.00 0.00 C ATOM 58 C ASN A 4 3.870 7.038 0.444 1.00 0.00 C ATOM 59 O ASN A 4 3.179 7.101 1.465 1.00 0.00 O ATOM 60 CB ASN A 4 5.336 8.984 1.034 1.00 0.00 C ATOM 61 CG ASN A 4 5.067 8.928 2.539 1.00 0.00 C ATOM 62 OD1 ASN A 4 5.524 8.012 3.223 1.00 0.00 O ATOM 63 ND2 ASN A 4 4.356 9.853 3.103 1.00 0.00 N ATOM 0 H ASN A 4 5.117 7.353 -1.643 1.00 0.00 H new ATOM 0 HA ASN A 4 5.934 6.921 1.036 1.00 0.00 H new ATOM 0 HB2 ASN A 4 6.308 9.441 0.848 1.00 0.00 H new ATOM 0 HB3 ASN A 4 4.590 9.613 0.548 1.00 0.00 H new ATOM 0 HD21 ASN A 4 4.178 9.819 4.107 1.00 0.00 H new ATOM 0 HD22 ASN A 4 3.974 10.615 2.543 1.00 0.00 H new ATOM 70 N ASN A 5 3.407 6.568 -0.713 1.00 0.00 N ATOM 71 CA ASN A 5 2.049 6.043 -0.847 1.00 0.00 C ATOM 72 C ASN A 5 2.107 4.554 -1.183 1.00 0.00 C ATOM 73 O ASN A 5 2.426 4.177 -2.313 1.00 0.00 O ATOM 74 CB ASN A 5 1.301 6.809 -1.939 1.00 0.00 C ATOM 75 CG ASN A 5 -0.200 6.745 -1.697 1.00 0.00 C ATOM 76 OD1 ASN A 5 -0.690 5.807 -1.073 1.00 0.00 O ATOM 77 ND2 ASN A 5 -0.960 7.699 -2.147 1.00 0.00 N ATOM 0 H ASN A 5 3.954 6.540 -1.573 1.00 0.00 H new ATOM 0 HA ASN A 5 1.515 6.171 0.095 1.00 0.00 H new ATOM 0 HB2 ASN A 5 1.630 7.848 -1.954 1.00 0.00 H new ATOM 0 HB3 ASN A 5 1.537 6.386 -2.916 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -1.966 7.670 -1.982 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -0.550 8.476 -2.665 1.00 0.00 H new ATOM 84 N LEU A 6 1.897 3.719 -0.178 1.00 0.00 N ATOM 85 CA LEU A 6 2.054 2.269 -0.316 1.00 0.00 C ATOM 86 C LEU A 6 1.065 1.686 -1.327 1.00 0.00 C ATOM 87 O LEU A 6 1.413 0.802 -2.116 1.00 0.00 O ATOM 88 CB LEU A 6 1.869 1.596 1.072 1.00 0.00 C ATOM 89 CG LEU A 6 2.203 0.078 1.044 1.00 0.00 C ATOM 90 CD1 LEU A 6 0.977 -0.756 0.645 1.00 0.00 C ATOM 91 CD2 LEU A 6 3.371 -0.212 0.092 1.00 0.00 C ATOM 0 H LEU A 6 1.614 4.019 0.755 1.00 0.00 H new ATOM 0 HA LEU A 6 3.057 2.067 -0.692 1.00 0.00 H new ATOM 0 HB2 LEU A 6 2.509 2.093 1.802 1.00 0.00 H new ATOM 0 HB3 LEU A 6 0.840 1.733 1.405 1.00 0.00 H new ATOM 0 HG LEU A 6 2.498 -0.208 2.054 1.00 0.00 H new ATOM 0 HD11 LEU A 6 1.244 -1.813 0.635 1.00 0.00 H new ATOM 0 HD12 LEU A 6 0.175 -0.591 1.364 1.00 0.00 H new ATOM 0 HD13 LEU A 6 0.641 -0.457 -0.348 1.00 0.00 H new ATOM 0 HD21 LEU A 6 3.583 -1.281 0.092 1.00 0.00 H new ATOM 0 HD22 LEU A 6 3.106 0.105 -0.916 1.00 0.00 H new ATOM 0 HD23 LEU A 6 4.255 0.333 0.423 1.00 0.00 H new ATOM 103 N LYS A 7 -0.181 2.129 -1.257 1.00 0.00 N ATOM 104 CA LYS A 7 -1.237 1.560 -2.092 1.00 0.00 C ATOM 105 C LYS A 7 -0.964 1.774 -3.575 1.00 0.00 C ATOM 106 O LYS A 7 -1.238 0.900 -4.398 1.00 0.00 O ATOM 107 CB LYS A 7 -2.596 2.131 -1.700 1.00 0.00 C ATOM 108 CG LYS A 7 -2.655 3.586 -2.109 1.00 0.00 C ATOM 109 CD LYS A 7 -3.878 4.239 -1.496 1.00 0.00 C ATOM 110 CE LYS A 7 -3.502 5.662 -1.124 1.00 0.00 C ATOM 111 NZ LYS A 7 -4.714 6.464 -0.871 1.00 0.00 N ATOM 0 H LYS A 7 -0.488 2.877 -0.635 1.00 0.00 H new ATOM 0 HA LYS A 7 -1.250 0.484 -1.919 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -3.394 1.571 -2.186 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -2.749 2.036 -0.625 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -1.753 4.103 -1.782 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -2.693 3.667 -3.195 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -4.708 4.235 -2.202 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -4.206 3.687 -0.615 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -2.869 5.658 -0.237 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -2.921 6.113 -1.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -4.703 7.310 -1.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -5.558 5.896 -1.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -4.737 6.752 0.128 1.00 0.00 H new ATOM 125 N LEU A 8 -0.407 2.927 -3.909 1.00 0.00 N ATOM 126 CA LEU A 8 -0.101 3.244 -5.299 1.00 0.00 C ATOM 127 C LEU A 8 0.909 2.253 -5.842 1.00 0.00 C ATOM 128 O LEU A 8 0.866 1.879 -7.006 1.00 0.00 O ATOM 129 CB LEU A 8 0.441 4.679 -5.435 1.00 0.00 C ATOM 130 CG LEU A 8 -0.663 5.697 -5.094 1.00 0.00 C ATOM 131 CD1 LEU A 8 -0.086 7.114 -5.120 1.00 0.00 C ATOM 132 CD2 LEU A 8 -1.799 5.605 -6.117 1.00 0.00 C ATOM 0 H LEU A 8 -0.158 3.657 -3.242 1.00 0.00 H new ATOM 0 HA LEU A 8 -1.023 3.175 -5.877 1.00 0.00 H new ATOM 0 HB2 LEU A 8 1.293 4.819 -4.770 1.00 0.00 H new ATOM 0 HB3 LEU A 8 0.799 4.846 -6.451 1.00 0.00 H new ATOM 0 HG LEU A 8 -1.049 5.472 -4.100 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -0.871 7.831 -4.878 1.00 0.00 H new ATOM 0 HD12 LEU A 8 0.717 7.194 -4.387 1.00 0.00 H new ATOM 0 HD13 LEU A 8 0.308 7.328 -6.114 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -2.574 6.329 -5.866 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -1.410 5.820 -7.113 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -2.222 4.601 -6.101 1.00 0.00 H new ATOM 144 N ILE A 9 1.858 1.891 -5.010 1.00 0.00 N ATOM 145 CA ILE A 9 2.892 0.951 -5.390 1.00 0.00 C ATOM 146 C ILE A 9 2.307 -0.440 -5.675 1.00 0.00 C ATOM 147 O ILE A 9 2.809 -1.165 -6.526 1.00 0.00 O ATOM 148 CB ILE A 9 3.976 0.878 -4.295 1.00 0.00 C ATOM 149 CG1 ILE A 9 4.710 2.228 -4.204 1.00 0.00 C ATOM 150 CG2 ILE A 9 4.996 -0.217 -4.636 1.00 0.00 C ATOM 151 CD1 ILE A 9 5.439 2.526 -5.525 1.00 0.00 C ATOM 0 H ILE A 9 1.937 2.237 -4.054 1.00 0.00 H new ATOM 0 HA ILE A 9 3.352 1.307 -6.312 1.00 0.00 H new ATOM 0 HB ILE A 9 3.498 0.648 -3.343 1.00 0.00 H new ATOM 0 HG12 ILE A 9 3.998 3.024 -3.986 1.00 0.00 H new ATOM 0 HG13 ILE A 9 5.426 2.207 -3.382 1.00 0.00 H new ATOM 0 HG21 ILE A 9 5.757 -0.261 -3.857 1.00 0.00 H new ATOM 0 HG22 ILE A 9 4.488 -1.179 -4.702 1.00 0.00 H new ATOM 0 HG23 ILE A 9 5.468 0.010 -5.592 1.00 0.00 H new ATOM 0 HD11 ILE A 9 5.954 3.483 -5.448 1.00 0.00 H new ATOM 0 HD12 ILE A 9 6.165 1.738 -5.726 1.00 0.00 H new ATOM 0 HD13 ILE A 9 4.715 2.568 -6.339 1.00 0.00 H new ATOM 163 N ARG A 10 1.389 -0.881 -4.825 1.00 0.00 N ATOM 164 CA ARG A 10 0.947 -2.280 -4.860 1.00 0.00 C ATOM 165 C ARG A 10 0.291 -2.675 -6.179 1.00 0.00 C ATOM 166 O ARG A 10 0.477 -3.805 -6.642 1.00 0.00 O ATOM 167 CB ARG A 10 0.034 -2.626 -3.683 1.00 0.00 C ATOM 168 CG ARG A 10 0.749 -2.400 -2.332 1.00 0.00 C ATOM 169 CD ARG A 10 2.278 -2.589 -2.457 1.00 0.00 C ATOM 170 NE ARG A 10 2.641 -3.982 -2.743 1.00 0.00 N ATOM 171 CZ ARG A 10 3.857 -4.300 -3.214 1.00 0.00 C ATOM 172 NH1 ARG A 10 4.692 -3.356 -3.549 1.00 0.00 N ATOM 173 NH2 ARG A 10 4.215 -5.542 -3.344 1.00 0.00 N ATOM 0 H ARG A 10 0.939 -0.307 -4.112 1.00 0.00 H new ATOM 0 HA ARG A 10 1.860 -2.869 -4.770 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -0.867 -2.014 -3.727 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -0.283 -3.666 -3.760 1.00 0.00 H new ATOM 0 HG2 ARG A 10 0.535 -1.394 -1.970 1.00 0.00 H new ATOM 0 HG3 ARG A 10 0.355 -3.096 -1.591 1.00 0.00 H new ATOM 0 HD2 ARG A 10 2.659 -1.946 -3.250 1.00 0.00 H new ATOM 0 HD3 ARG A 10 2.759 -2.272 -1.531 1.00 0.00 H new ATOM 0 HE ARG A 10 1.957 -4.721 -2.581 1.00 0.00 H new ATOM 0 HH11 ARG A 10 4.421 -2.377 -3.453 1.00 0.00 H new ATOM 0 HH12 ARG A 10 5.616 -3.596 -3.907 1.00 0.00 H new ATOM 0 HH21 ARG A 10 3.569 -6.288 -3.087 1.00 0.00 H new ATOM 0 HH22 ARG A 10 5.142 -5.771 -3.703 1.00 0.00 H new ATOM 187 N GLU A 11 -0.462 -1.767 -6.792 1.00 0.00 N ATOM 188 CA GLU A 11 -1.116 -2.084 -8.067 1.00 0.00 C ATOM 189 C GLU A 11 -0.096 -2.670 -9.027 1.00 0.00 C ATOM 190 O GLU A 11 -0.401 -3.533 -9.858 1.00 0.00 O ATOM 191 CB GLU A 11 -1.723 -0.817 -8.698 1.00 0.00 C ATOM 192 CG GLU A 11 -0.729 0.366 -8.609 1.00 0.00 C ATOM 193 CD GLU A 11 -0.639 1.087 -9.941 1.00 0.00 C ATOM 194 OE1 GLU A 11 -1.582 1.758 -10.286 1.00 0.00 O ATOM 195 OE2 GLU A 11 0.381 0.968 -10.598 1.00 0.00 O ATOM 0 H GLU A 11 -0.635 -0.825 -6.441 1.00 0.00 H new ATOM 0 HA GLU A 11 -1.913 -2.803 -7.876 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -1.976 -1.009 -9.741 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -2.651 -0.559 -8.187 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -1.051 1.061 -7.834 1.00 0.00 H new ATOM 0 HG3 GLU A 11 0.256 -0.000 -8.320 1.00 0.00 H new ATOM 202 N LYS A 12 1.107 -2.165 -8.914 1.00 0.00 N ATOM 203 CA LYS A 12 2.203 -2.542 -9.767 1.00 0.00 C ATOM 204 C LYS A 12 2.530 -3.997 -9.576 1.00 0.00 C ATOM 205 O LYS A 12 2.766 -4.728 -10.538 1.00 0.00 O ATOM 206 CB LYS A 12 3.381 -1.676 -9.419 1.00 0.00 C ATOM 207 CG LYS A 12 2.920 -0.283 -9.726 1.00 0.00 C ATOM 208 CD LYS A 12 3.952 0.728 -9.386 1.00 0.00 C ATOM 209 CE LYS A 12 3.276 2.059 -9.578 1.00 0.00 C ATOM 210 NZ LYS A 12 2.745 2.154 -10.961 1.00 0.00 N ATOM 0 H LYS A 12 1.355 -1.467 -8.213 1.00 0.00 H new ATOM 0 HA LYS A 12 1.939 -2.399 -10.815 1.00 0.00 H new ATOM 0 HB2 LYS A 12 3.656 -1.782 -8.370 1.00 0.00 H new ATOM 0 HB3 LYS A 12 4.259 -1.943 -10.007 1.00 0.00 H new ATOM 0 HG2 LYS A 12 2.672 -0.207 -10.785 1.00 0.00 H new ATOM 0 HG3 LYS A 12 2.007 -0.072 -9.169 1.00 0.00 H new ATOM 0 HD2 LYS A 12 4.299 0.607 -8.360 1.00 0.00 H new ATOM 0 HD3 LYS A 12 4.825 0.633 -10.032 1.00 0.00 H new ATOM 0 HE2 LYS A 12 2.466 2.174 -8.858 1.00 0.00 H new ATOM 0 HE3 LYS A 12 3.983 2.867 -9.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 2.874 3.123 -11.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 3.256 1.489 -11.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 1.732 1.917 -10.961 1.00 0.00 H new ATOM 224 N LYS A 13 2.467 -4.436 -8.331 1.00 0.00 N ATOM 225 CA LYS A 13 2.681 -5.831 -8.014 1.00 0.00 C ATOM 226 C LYS A 13 1.375 -6.600 -8.131 1.00 0.00 C ATOM 227 O LYS A 13 1.216 -7.679 -7.553 1.00 0.00 O ATOM 228 CB LYS A 13 3.341 -6.006 -6.635 1.00 0.00 C ATOM 229 CG LYS A 13 4.131 -7.326 -6.637 1.00 0.00 C ATOM 230 CD LYS A 13 5.501 -7.140 -5.975 1.00 0.00 C ATOM 231 CE LYS A 13 6.483 -8.161 -6.582 1.00 0.00 C ATOM 232 NZ LYS A 13 7.870 -7.870 -6.139 1.00 0.00 N ATOM 0 H LYS A 13 2.269 -3.843 -7.525 1.00 0.00 H new ATOM 0 HA LYS A 13 3.380 -6.248 -8.739 1.00 0.00 H new ATOM 0 HB2 LYS A 13 4.005 -5.168 -6.423 1.00 0.00 H new ATOM 0 HB3 LYS A 13 2.584 -6.019 -5.851 1.00 0.00 H new ATOM 0 HG2 LYS A 13 3.567 -8.094 -6.107 1.00 0.00 H new ATOM 0 HG3 LYS A 13 4.261 -7.676 -7.661 1.00 0.00 H new ATOM 0 HD2 LYS A 13 5.864 -6.125 -6.135 1.00 0.00 H new ATOM 0 HD3 LYS A 13 5.423 -7.284 -4.897 1.00 0.00 H new ATOM 0 HE2 LYS A 13 6.202 -9.170 -6.280 1.00 0.00 H new ATOM 0 HE3 LYS A 13 6.427 -8.127 -7.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 8.466 -8.709 -6.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 8.250 -7.072 -6.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 7.867 -7.625 -5.128 1.00 0.00 H new ATOM 246 N LYS A 14 0.448 -6.023 -8.901 1.00 0.00 N ATOM 247 CA LYS A 14 -0.862 -6.605 -9.182 1.00 0.00 C ATOM 248 C LYS A 14 -1.471 -7.316 -7.982 1.00 0.00 C ATOM 249 O LYS A 14 -2.050 -8.396 -8.115 1.00 0.00 O ATOM 250 CB LYS A 14 -0.842 -7.512 -10.439 1.00 0.00 C ATOM 251 CG LYS A 14 0.383 -8.440 -10.433 1.00 0.00 C ATOM 252 CD LYS A 14 1.456 -7.908 -11.401 1.00 0.00 C ATOM 253 CE LYS A 14 2.742 -8.735 -11.264 1.00 0.00 C ATOM 254 NZ LYS A 14 2.402 -10.169 -11.096 1.00 0.00 N ATOM 0 H LYS A 14 0.593 -5.121 -9.354 1.00 0.00 H new ATOM 0 HA LYS A 14 -1.518 -5.763 -9.401 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -1.754 -8.108 -10.475 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -0.829 -6.894 -11.337 1.00 0.00 H new ATOM 0 HG2 LYS A 14 0.793 -8.507 -9.425 1.00 0.00 H new ATOM 0 HG3 LYS A 14 0.087 -9.448 -10.725 1.00 0.00 H new ATOM 0 HD2 LYS A 14 1.089 -7.957 -12.426 1.00 0.00 H new ATOM 0 HD3 LYS A 14 1.663 -6.860 -11.187 1.00 0.00 H new ATOM 0 HE2 LYS A 14 3.367 -8.601 -12.147 1.00 0.00 H new ATOM 0 HE3 LYS A 14 3.320 -8.386 -10.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 3.233 -10.752 -11.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 2.115 -10.345 -10.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 1.620 -10.417 -11.735 1.00 0.00 H new ATOM 268 N ILE A 15 -1.425 -6.662 -6.841 1.00 0.00 N ATOM 269 CA ILE A 15 -2.081 -7.162 -5.647 1.00 0.00 C ATOM 270 C ILE A 15 -3.130 -6.161 -5.183 1.00 0.00 C ATOM 271 O ILE A 15 -2.850 -4.958 -5.084 1.00 0.00 O ATOM 272 CB ILE A 15 -1.046 -7.478 -4.554 1.00 0.00 C ATOM 273 CG1 ILE A 15 -0.155 -6.257 -4.283 1.00 0.00 C ATOM 274 CG2 ILE A 15 -0.170 -8.658 -4.999 1.00 0.00 C ATOM 275 CD1 ILE A 15 0.835 -6.599 -3.168 1.00 0.00 C ATOM 0 H ILE A 15 -0.937 -5.776 -6.713 1.00 0.00 H new ATOM 0 HA ILE A 15 -2.593 -8.097 -5.873 1.00 0.00 H new ATOM 0 HB ILE A 15 -1.577 -7.736 -3.638 1.00 0.00 H new ATOM 0 HG12 ILE A 15 0.381 -5.974 -5.189 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -0.766 -5.402 -3.994 1.00 0.00 H new ATOM 0 HG21 ILE A 15 0.563 -8.880 -4.223 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -0.797 -9.534 -5.167 1.00 0.00 H new ATOM 0 HG23 ILE A 15 0.347 -8.399 -5.923 1.00 0.00 H new ATOM 0 HD11 ILE A 15 1.472 -5.737 -2.970 1.00 0.00 H new ATOM 0 HD12 ILE A 15 0.287 -6.862 -2.263 1.00 0.00 H new ATOM 0 HD13 ILE A 15 1.453 -7.443 -3.476 1.00 0.00 H new ATOM 287 N SER A 16 -4.368 -6.621 -5.089 1.00 0.00 N ATOM 288 CA SER A 16 -5.489 -5.727 -4.850 1.00 0.00 C ATOM 289 C SER A 16 -5.565 -5.253 -3.411 1.00 0.00 C ATOM 290 O SER A 16 -5.037 -5.886 -2.495 1.00 0.00 O ATOM 291 CB SER A 16 -6.811 -6.364 -5.293 1.00 0.00 C ATOM 292 OG SER A 16 -6.549 -7.650 -5.863 1.00 0.00 O ATOM 0 H SER A 16 -4.621 -7.605 -5.174 1.00 0.00 H new ATOM 0 HA SER A 16 -5.315 -4.841 -5.461 1.00 0.00 H new ATOM 0 HB2 SER A 16 -7.484 -6.461 -4.441 1.00 0.00 H new ATOM 0 HB3 SER A 16 -7.309 -5.725 -6.022 1.00 0.00 H new ATOM 0 HG SER A 16 -6.251 -8.265 -5.160 1.00 0.00 H new ATOM 298 N GLN A 17 -6.213 -4.119 -3.231 1.00 0.00 N ATOM 299 CA GLN A 17 -6.340 -3.483 -1.934 1.00 0.00 C ATOM 300 C GLN A 17 -7.097 -4.379 -0.960 1.00 0.00 C ATOM 301 O GLN A 17 -6.911 -4.289 0.257 1.00 0.00 O ATOM 302 CB GLN A 17 -7.082 -2.155 -2.098 1.00 0.00 C ATOM 303 CG GLN A 17 -6.243 -1.201 -2.960 1.00 0.00 C ATOM 304 CD GLN A 17 -7.007 0.091 -3.197 1.00 0.00 C ATOM 305 OE1 GLN A 17 -8.242 0.080 -3.298 1.00 0.00 O ATOM 306 NE2 GLN A 17 -6.363 1.205 -3.293 1.00 0.00 N ATOM 0 H GLN A 17 -6.670 -3.609 -3.987 1.00 0.00 H new ATOM 0 HA GLN A 17 -5.343 -3.306 -1.530 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -8.053 -2.324 -2.564 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -7.270 -1.709 -1.122 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -5.296 -0.988 -2.465 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -6.005 -1.673 -3.913 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -5.346 1.215 -3.210 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -6.870 2.075 -3.452 1.00 0.00 H new ATOM 315 N SER A 18 -8.024 -5.160 -1.479 1.00 0.00 N ATOM 316 CA SER A 18 -8.871 -5.998 -0.645 1.00 0.00 C ATOM 317 C SER A 18 -8.033 -6.978 0.162 1.00 0.00 C ATOM 318 O SER A 18 -8.258 -7.168 1.359 1.00 0.00 O ATOM 319 CB SER A 18 -9.855 -6.758 -1.533 1.00 0.00 C ATOM 320 OG SER A 18 -9.364 -6.753 -2.886 1.00 0.00 O ATOM 0 H SER A 18 -8.212 -5.234 -2.479 1.00 0.00 H new ATOM 0 HA SER A 18 -9.419 -5.365 0.053 1.00 0.00 H new ATOM 0 HB2 SER A 18 -9.970 -7.782 -1.178 1.00 0.00 H new ATOM 0 HB3 SER A 18 -10.840 -6.293 -1.488 1.00 0.00 H new ATOM 0 HG SER A 18 -8.872 -7.583 -3.059 1.00 0.00 H new ATOM 326 N GLU A 19 -7.042 -7.559 -0.487 1.00 0.00 N ATOM 327 CA GLU A 19 -6.184 -8.524 0.161 1.00 0.00 C ATOM 328 C GLU A 19 -5.455 -7.894 1.334 1.00 0.00 C ATOM 329 O GLU A 19 -5.300 -8.515 2.380 1.00 0.00 O ATOM 330 CB GLU A 19 -5.180 -9.097 -0.839 1.00 0.00 C ATOM 331 CG GLU A 19 -5.929 -9.870 -1.932 1.00 0.00 C ATOM 332 CD GLU A 19 -6.335 -8.937 -3.055 1.00 0.00 C ATOM 333 OE1 GLU A 19 -7.353 -8.282 -2.928 1.00 0.00 O ATOM 334 OE2 GLU A 19 -5.622 -8.885 -4.030 1.00 0.00 O ATOM 0 H GLU A 19 -6.813 -7.377 -1.464 1.00 0.00 H new ATOM 0 HA GLU A 19 -6.806 -9.335 0.539 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -4.595 -8.292 -1.284 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -4.478 -9.757 -0.328 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -5.295 -10.666 -2.323 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -6.813 -10.346 -1.509 1.00 0.00 H new ATOM 341 N LEU A 20 -5.049 -6.645 1.172 1.00 0.00 N ATOM 342 CA LEU A 20 -4.351 -5.952 2.243 1.00 0.00 C ATOM 343 C LEU A 20 -5.254 -5.848 3.462 1.00 0.00 C ATOM 344 O LEU A 20 -4.847 -6.162 4.579 1.00 0.00 O ATOM 345 CB LEU A 20 -3.918 -4.549 1.787 1.00 0.00 C ATOM 346 CG LEU A 20 -2.608 -4.638 0.979 1.00 0.00 C ATOM 347 CD1 LEU A 20 -2.852 -5.380 -0.336 1.00 0.00 C ATOM 348 CD2 LEU A 20 -2.091 -3.228 0.675 1.00 0.00 C ATOM 0 H LEU A 20 -5.188 -6.097 0.323 1.00 0.00 H new ATOM 0 HA LEU A 20 -3.458 -6.520 2.504 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -4.701 -4.098 1.177 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -3.777 -3.903 2.654 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.868 -5.181 1.567 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.921 -5.438 -0.899 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -3.211 -6.387 -0.124 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -3.599 -4.845 -0.923 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.165 -3.295 0.104 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.837 -2.684 0.095 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.903 -2.700 1.610 1.00 0.00 H new ATOM 360 N ALA A 21 -6.513 -5.518 3.227 1.00 0.00 N ATOM 361 CA ALA A 21 -7.496 -5.505 4.298 1.00 0.00 C ATOM 362 C ALA A 21 -7.779 -6.928 4.764 1.00 0.00 C ATOM 363 O ALA A 21 -7.941 -7.184 5.964 1.00 0.00 O ATOM 364 CB ALA A 21 -8.787 -4.823 3.852 1.00 0.00 C ATOM 0 H ALA A 21 -6.877 -5.257 2.311 1.00 0.00 H new ATOM 0 HA ALA A 21 -7.087 -4.933 5.131 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -9.504 -4.828 4.673 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -8.574 -3.794 3.563 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -9.207 -5.359 3.001 1.00 0.00 H new ATOM 370 N ALA A 22 -7.833 -7.848 3.807 1.00 0.00 N ATOM 371 CA ALA A 22 -8.097 -9.253 4.098 1.00 0.00 C ATOM 372 C ALA A 22 -7.058 -9.801 5.056 1.00 0.00 C ATOM 373 O ALA A 22 -7.356 -10.668 5.877 1.00 0.00 O ATOM 374 CB ALA A 22 -8.112 -10.079 2.810 1.00 0.00 C ATOM 0 H ALA A 22 -7.697 -7.644 2.817 1.00 0.00 H new ATOM 0 HA ALA A 22 -9.078 -9.324 4.567 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -8.311 -11.124 3.050 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -8.892 -9.705 2.147 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -7.144 -9.998 2.315 1.00 0.00 H new ATOM 380 N LEU A 23 -5.857 -9.261 4.977 1.00 0.00 N ATOM 381 CA LEU A 23 -4.773 -9.645 5.873 1.00 0.00 C ATOM 382 C LEU A 23 -5.115 -9.307 7.316 1.00 0.00 C ATOM 383 O LEU A 23 -4.710 -10.014 8.241 1.00 0.00 O ATOM 384 CB LEU A 23 -3.455 -8.971 5.474 1.00 0.00 C ATOM 385 CG LEU A 23 -2.932 -9.566 4.157 1.00 0.00 C ATOM 386 CD1 LEU A 23 -1.791 -8.699 3.627 1.00 0.00 C ATOM 387 CD2 LEU A 23 -2.398 -10.979 4.415 1.00 0.00 C ATOM 0 H LEU A 23 -5.602 -8.547 4.295 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.646 -10.724 5.787 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.607 -7.897 5.362 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -2.715 -9.108 6.262 1.00 0.00 H new ATOM 0 HG LEU A 23 -3.742 -9.601 3.429 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -1.418 -9.119 2.693 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.155 -7.687 3.450 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -0.984 -8.671 4.360 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -2.026 -11.403 3.482 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.587 -10.934 5.142 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -3.200 -11.606 4.805 1.00 0.00 H new ATOM 399 N LEU A 24 -5.778 -8.179 7.514 1.00 0.00 N ATOM 400 CA LEU A 24 -6.064 -7.710 8.862 1.00 0.00 C ATOM 401 C LEU A 24 -7.155 -8.558 9.503 1.00 0.00 C ATOM 402 O LEU A 24 -7.109 -8.832 10.704 1.00 0.00 O ATOM 403 CB LEU A 24 -6.496 -6.236 8.829 1.00 0.00 C ATOM 404 CG LEU A 24 -5.352 -5.374 8.265 1.00 0.00 C ATOM 405 CD1 LEU A 24 -5.801 -3.920 8.168 1.00 0.00 C ATOM 406 CD2 LEU A 24 -4.129 -5.466 9.178 1.00 0.00 C ATOM 0 H LEU A 24 -6.125 -7.576 6.768 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.156 -7.801 9.459 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -7.388 -6.122 8.213 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -6.757 -5.901 9.833 1.00 0.00 H new ATOM 0 HG LEU A 24 -5.090 -5.742 7.273 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -4.988 -3.314 7.768 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -6.665 -3.849 7.507 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -6.072 -3.556 9.159 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -3.324 -4.853 8.771 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -4.390 -5.108 10.174 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -3.799 -6.503 9.241 1.00 0.00 H new ATOM 418 N GLU A 25 -8.055 -9.076 8.675 1.00 0.00 N ATOM 419 CA GLU A 25 -9.094 -10.014 9.122 1.00 0.00 C ATOM 420 C GLU A 25 -9.987 -9.404 10.215 1.00 0.00 C ATOM 421 O GLU A 25 -10.588 -10.133 11.006 1.00 0.00 O ATOM 422 CB GLU A 25 -8.433 -11.293 9.667 1.00 0.00 C ATOM 423 CG GLU A 25 -7.602 -11.959 8.565 1.00 0.00 C ATOM 424 CD GLU A 25 -6.884 -13.177 9.110 1.00 0.00 C ATOM 425 OE1 GLU A 25 -6.317 -13.082 10.179 1.00 0.00 O ATOM 426 OE2 GLU A 25 -6.907 -14.195 8.457 1.00 0.00 O ATOM 0 H GLU A 25 -8.091 -8.863 7.678 1.00 0.00 H new ATOM 0 HA GLU A 25 -9.722 -10.245 8.262 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -7.797 -11.050 10.518 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -9.196 -11.983 10.026 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -8.249 -12.250 7.738 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -6.877 -11.249 8.168 1.00 0.00 H new ATOM 433 N VAL A 26 -10.073 -8.083 10.260 1.00 0.00 N ATOM 434 CA VAL A 26 -10.883 -7.406 11.280 1.00 0.00 C ATOM 435 C VAL A 26 -11.664 -6.229 10.702 1.00 0.00 C ATOM 436 O VAL A 26 -11.580 -5.940 9.502 1.00 0.00 O ATOM 437 CB VAL A 26 -10.003 -6.944 12.462 1.00 0.00 C ATOM 438 CG1 VAL A 26 -9.734 -8.125 13.400 1.00 0.00 C ATOM 439 CG2 VAL A 26 -8.667 -6.407 11.939 1.00 0.00 C ATOM 0 H VAL A 26 -9.598 -7.456 9.610 1.00 0.00 H new ATOM 0 HA VAL A 26 -11.609 -8.131 11.647 1.00 0.00 H new ATOM 0 HB VAL A 26 -10.526 -6.156 13.004 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -9.113 -7.794 14.232 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -10.680 -8.508 13.783 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -9.218 -8.914 12.853 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -8.052 -6.083 12.778 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -8.148 -7.193 11.391 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -8.849 -5.562 11.275 1.00 0.00 H new ATOM 449 N SER A 27 -12.338 -5.503 11.594 1.00 0.00 N ATOM 450 CA SER A 27 -13.095 -4.291 11.261 1.00 0.00 C ATOM 451 C SER A 27 -12.297 -3.395 10.326 1.00 0.00 C ATOM 452 O SER A 27 -12.844 -2.527 9.626 1.00 0.00 O ATOM 453 CB SER A 27 -13.355 -3.523 12.554 1.00 0.00 C ATOM 454 OG SER A 27 -12.104 -3.321 13.243 1.00 0.00 O ATOM 0 H SER A 27 -12.375 -5.742 12.585 1.00 0.00 H new ATOM 0 HA SER A 27 -14.025 -4.576 10.770 1.00 0.00 H new ATOM 0 HB2 SER A 27 -13.822 -2.563 12.334 1.00 0.00 H new ATOM 0 HB3 SER A 27 -14.048 -4.077 13.187 1.00 0.00 H new ATOM 0 HG SER A 27 -12.264 -2.827 14.074 1.00 0.00 H new ATOM 460 N ARG A 28 -10.998 -3.602 10.341 1.00 0.00 N ATOM 461 CA ARG A 28 -10.072 -2.809 9.574 1.00 0.00 C ATOM 462 C ARG A 28 -10.467 -2.804 8.120 1.00 0.00 C ATOM 463 O ARG A 28 -10.123 -1.891 7.391 1.00 0.00 O ATOM 464 CB ARG A 28 -8.647 -3.352 9.709 1.00 0.00 C ATOM 465 CG ARG A 28 -8.011 -2.946 11.063 1.00 0.00 C ATOM 466 CD ARG A 28 -8.980 -3.177 12.236 1.00 0.00 C ATOM 467 NE ARG A 28 -8.245 -3.525 13.442 1.00 0.00 N ATOM 468 CZ ARG A 28 -8.857 -4.057 14.504 1.00 0.00 C ATOM 469 NH1 ARG A 28 -10.166 -4.170 14.527 1.00 0.00 N ATOM 470 NH2 ARG A 28 -8.150 -4.454 15.518 1.00 0.00 N ATOM 0 H ARG A 28 -10.554 -4.335 10.894 1.00 0.00 H new ATOM 0 HA ARG A 28 -10.101 -1.791 9.963 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -8.661 -4.439 9.623 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -8.034 -2.976 8.890 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -7.100 -3.521 11.225 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -7.723 -1.895 11.030 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -9.571 -2.278 12.410 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -9.679 -3.975 11.986 1.00 0.00 H new ATOM 0 HE ARG A 28 -7.239 -3.359 13.478 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -10.719 -3.851 13.732 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -10.629 -4.577 15.340 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -7.135 -4.359 15.500 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -8.610 -4.861 16.332 1.00 0.00 H new ATOM 484 N GLN A 29 -11.193 -3.823 7.700 1.00 0.00 N ATOM 485 CA GLN A 29 -11.619 -3.904 6.316 1.00 0.00 C ATOM 486 C GLN A 29 -12.376 -2.634 5.942 1.00 0.00 C ATOM 487 O GLN A 29 -12.075 -1.998 4.927 1.00 0.00 O ATOM 488 CB GLN A 29 -12.519 -5.128 6.124 1.00 0.00 C ATOM 489 CG GLN A 29 -11.696 -6.412 6.317 1.00 0.00 C ATOM 490 CD GLN A 29 -12.615 -7.628 6.327 1.00 0.00 C ATOM 491 OE1 GLN A 29 -13.737 -7.556 6.840 1.00 0.00 O ATOM 492 NE2 GLN A 29 -12.223 -8.732 5.790 1.00 0.00 N ATOM 0 H GLN A 29 -11.497 -4.598 8.290 1.00 0.00 H new ATOM 0 HA GLN A 29 -10.746 -4.003 5.671 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -13.342 -5.102 6.838 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -12.961 -5.114 5.128 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -10.963 -6.507 5.516 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -11.140 -6.359 7.253 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -11.297 -8.792 5.366 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -12.839 -9.545 5.789 1.00 0.00 H new ATOM 501 N THR A 30 -13.260 -2.202 6.832 1.00 0.00 N ATOM 502 CA THR A 30 -13.979 -0.952 6.647 1.00 0.00 C ATOM 503 C THR A 30 -13.027 0.239 6.756 1.00 0.00 C ATOM 504 O THR A 30 -13.099 1.195 5.974 1.00 0.00 O ATOM 505 CB THR A 30 -15.094 -0.839 7.693 1.00 0.00 C ATOM 506 OG1 THR A 30 -14.527 -0.870 9.007 1.00 0.00 O ATOM 507 CG2 THR A 30 -16.067 -2.010 7.531 1.00 0.00 C ATOM 0 H THR A 30 -13.495 -2.701 7.690 1.00 0.00 H new ATOM 0 HA THR A 30 -14.420 -0.944 5.650 1.00 0.00 H new ATOM 0 HB THR A 30 -15.627 0.101 7.551 1.00 0.00 H new ATOM 0 HG1 THR A 30 -14.324 -1.796 9.254 1.00 0.00 H new ATOM 0 HG21 THR A 30 -16.860 -1.930 8.275 1.00 0.00 H new ATOM 0 HG22 THR A 30 -16.503 -1.986 6.532 1.00 0.00 H new ATOM 0 HG23 THR A 30 -15.532 -2.949 7.671 1.00 0.00 H new ATOM 515 N ILE A 31 -12.137 0.169 7.732 1.00 0.00 N ATOM 516 CA ILE A 31 -11.163 1.221 7.980 1.00 0.00 C ATOM 517 C ILE A 31 -10.245 1.344 6.773 1.00 0.00 C ATOM 518 O ILE A 31 -9.966 2.442 6.284 1.00 0.00 O ATOM 519 CB ILE A 31 -10.344 0.859 9.235 1.00 0.00 C ATOM 520 CG1 ILE A 31 -11.257 0.889 10.463 1.00 0.00 C ATOM 521 CG2 ILE A 31 -9.202 1.861 9.439 1.00 0.00 C ATOM 522 CD1 ILE A 31 -10.540 0.272 11.663 1.00 0.00 C ATOM 0 H ILE A 31 -12.069 -0.619 8.376 1.00 0.00 H new ATOM 0 HA ILE A 31 -11.668 2.173 8.143 1.00 0.00 H new ATOM 0 HB ILE A 31 -9.924 -0.138 9.102 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -11.543 1.916 10.689 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -12.176 0.340 10.257 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -8.635 1.590 10.329 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -8.544 1.844 8.570 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -9.614 2.862 9.563 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -11.197 0.298 12.532 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -10.277 -0.761 11.438 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -9.634 0.839 11.876 1.00 0.00 H new ATOM 534 N ASN A 32 -9.827 0.196 6.278 1.00 0.00 N ATOM 535 CA ASN A 32 -8.943 0.102 5.130 1.00 0.00 C ATOM 536 C ASN A 32 -9.423 0.974 3.981 1.00 0.00 C ATOM 537 O ASN A 32 -8.622 1.623 3.312 1.00 0.00 O ATOM 538 CB ASN A 32 -8.815 -1.370 4.690 1.00 0.00 C ATOM 539 CG ASN A 32 -9.179 -1.534 3.223 1.00 0.00 C ATOM 540 OD1 ASN A 32 -8.328 -1.387 2.350 1.00 0.00 O ATOM 541 ND2 ASN A 32 -10.404 -1.822 2.898 1.00 0.00 N ATOM 0 H ASN A 32 -10.094 -0.709 6.665 1.00 0.00 H new ATOM 0 HA ASN A 32 -7.960 0.472 5.423 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -7.795 -1.715 4.856 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -9.466 -1.994 5.302 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -10.660 -1.926 1.916 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -11.109 -1.944 3.625 1.00 0.00 H new ATOM 548 N GLY A 33 -10.728 1.010 3.769 1.00 0.00 N ATOM 549 CA GLY A 33 -11.271 1.832 2.703 1.00 0.00 C ATOM 550 C GLY A 33 -10.884 3.282 2.924 1.00 0.00 C ATOM 551 O GLY A 33 -10.326 3.933 2.029 1.00 0.00 O ATOM 0 H GLY A 33 -11.419 0.490 4.310 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -10.895 1.489 1.739 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -12.356 1.736 2.674 1.00 0.00 H new ATOM 555 N ILE A 34 -11.064 3.746 4.153 1.00 0.00 N ATOM 556 CA ILE A 34 -10.646 5.085 4.533 1.00 0.00 C ATOM 557 C ILE A 34 -9.128 5.186 4.438 1.00 0.00 C ATOM 558 O ILE A 34 -8.586 6.179 3.929 1.00 0.00 O ATOM 559 CB ILE A 34 -11.110 5.390 5.972 1.00 0.00 C ATOM 560 CG1 ILE A 34 -12.648 5.440 6.033 1.00 0.00 C ATOM 561 CG2 ILE A 34 -10.539 6.734 6.446 1.00 0.00 C ATOM 562 CD1 ILE A 34 -13.185 6.561 5.142 1.00 0.00 C ATOM 0 H ILE A 34 -11.498 3.211 4.905 1.00 0.00 H new ATOM 0 HA ILE A 34 -11.097 5.813 3.859 1.00 0.00 H new ATOM 0 HB ILE A 34 -10.746 4.597 6.625 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -13.061 4.484 5.713 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -12.972 5.599 7.062 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -10.876 6.934 7.463 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -9.450 6.694 6.426 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -10.885 7.529 5.786 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -14.273 6.581 5.198 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -12.787 7.517 5.481 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -12.878 6.385 4.111 1.00 0.00 H new ATOM 574 N GLU A 35 -8.452 4.156 4.935 1.00 0.00 N ATOM 575 CA GLU A 35 -6.997 4.124 4.956 1.00 0.00 C ATOM 576 C GLU A 35 -6.442 4.191 3.553 1.00 0.00 C ATOM 577 O GLU A 35 -5.372 4.748 3.334 1.00 0.00 O ATOM 578 CB GLU A 35 -6.504 2.830 5.606 1.00 0.00 C ATOM 579 CG GLU A 35 -6.881 2.800 7.089 1.00 0.00 C ATOM 580 CD GLU A 35 -6.151 3.887 7.842 1.00 0.00 C ATOM 581 OE1 GLU A 35 -4.939 3.957 7.729 1.00 0.00 O ATOM 582 OE2 GLU A 35 -6.804 4.640 8.523 1.00 0.00 O ATOM 0 H GLU A 35 -8.894 3.327 5.331 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.654 4.986 5.529 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -6.940 1.971 5.096 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -5.422 2.750 5.498 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -7.957 2.933 7.200 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -6.634 1.827 7.513 1.00 0.00 H new ATOM 589 N LYS A 36 -7.093 3.504 2.632 1.00 0.00 N ATOM 590 CA LYS A 36 -6.571 3.402 1.283 1.00 0.00 C ATOM 591 C LYS A 36 -7.102 4.511 0.386 1.00 0.00 C ATOM 592 O LYS A 36 -6.417 4.938 -0.541 1.00 0.00 O ATOM 593 CB LYS A 36 -6.903 2.032 0.674 1.00 0.00 C ATOM 594 CG LYS A 36 -8.370 1.997 0.211 1.00 0.00 C ATOM 595 CD LYS A 36 -8.716 0.602 -0.304 1.00 0.00 C ATOM 596 CE LYS A 36 -10.116 0.616 -0.925 1.00 0.00 C ATOM 597 NZ LYS A 36 -10.051 1.219 -2.282 1.00 0.00 N ATOM 0 H LYS A 36 -7.973 3.014 2.791 1.00 0.00 H new ATOM 0 HA LYS A 36 -5.488 3.511 1.348 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -6.243 1.832 -0.170 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -6.727 1.247 1.409 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -9.028 2.263 1.038 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -8.531 2.735 -0.575 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -7.982 0.284 -1.044 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -8.677 -0.118 0.513 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -10.509 -0.399 -0.985 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -10.799 1.185 -0.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -10.953 1.062 -2.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -9.875 2.241 -2.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -9.280 0.777 -2.822 1.00 0.00 H new ATOM 611 N ASN A 37 -8.368 4.866 0.551 1.00 0.00 N ATOM 612 CA ASN A 37 -8.971 5.820 -0.373 1.00 0.00 C ATOM 613 C ASN A 37 -8.580 7.251 -0.050 1.00 0.00 C ATOM 614 O ASN A 37 -8.070 7.979 -0.901 1.00 0.00 O ATOM 615 CB ASN A 37 -10.494 5.702 -0.343 1.00 0.00 C ATOM 616 CG ASN A 37 -11.084 6.493 -1.498 1.00 0.00 C ATOM 617 OD1 ASN A 37 -10.771 6.216 -2.661 1.00 0.00 O ATOM 618 ND2 ASN A 37 -11.911 7.464 -1.256 1.00 0.00 N ATOM 0 H ASN A 37 -8.982 4.523 1.290 1.00 0.00 H new ATOM 0 HA ASN A 37 -8.597 5.577 -1.368 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -10.790 4.656 -0.416 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -10.880 6.078 0.604 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -12.306 8.002 -2.027 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -12.166 7.689 -0.294 1.00 0.00 H new ATOM 625 N LYS A 38 -8.828 7.650 1.181 1.00 0.00 N ATOM 626 CA LYS A 38 -8.520 8.999 1.627 1.00 0.00 C ATOM 627 C LYS A 38 -7.035 9.173 1.930 1.00 0.00 C ATOM 628 O LYS A 38 -6.437 10.219 1.651 1.00 0.00 O ATOM 629 CB LYS A 38 -9.376 9.342 2.846 1.00 0.00 C ATOM 630 CG LYS A 38 -10.846 9.467 2.407 1.00 0.00 C ATOM 631 CD LYS A 38 -11.729 9.723 3.630 1.00 0.00 C ATOM 632 CE LYS A 38 -13.194 9.856 3.204 1.00 0.00 C ATOM 633 NZ LYS A 38 -13.402 11.159 2.525 1.00 0.00 N ATOM 0 H LYS A 38 -9.245 7.056 1.897 1.00 0.00 H new ATOM 0 HA LYS A 38 -8.756 9.691 0.818 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -9.275 8.568 3.607 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -9.036 10.276 3.294 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -10.954 10.282 1.691 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -11.164 8.555 1.902 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -11.622 8.905 4.343 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -11.406 10.632 4.137 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -13.463 9.039 2.534 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -13.844 9.781 4.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -14.421 11.329 2.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -12.990 11.920 3.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -12.941 11.142 1.593 1.00 0.00 H new ATOM 647 N TYR A 39 -6.480 8.186 2.597 1.00 0.00 N ATOM 648 CA TYR A 39 -5.107 8.243 3.081 1.00 0.00 C ATOM 649 C TYR A 39 -4.242 7.215 2.390 1.00 0.00 C ATOM 650 O TYR A 39 -4.716 6.441 1.545 1.00 0.00 O ATOM 651 CB TYR A 39 -5.081 7.958 4.592 1.00 0.00 C ATOM 652 CG TYR A 39 -5.934 8.964 5.320 1.00 0.00 C ATOM 653 CD1 TYR A 39 -5.396 10.194 5.694 1.00 0.00 C ATOM 654 CD2 TYR A 39 -7.266 8.663 5.616 1.00 0.00 C ATOM 655 CE1 TYR A 39 -6.186 11.126 6.365 1.00 0.00 C ATOM 656 CE2 TYR A 39 -8.057 9.596 6.287 1.00 0.00 C ATOM 657 CZ TYR A 39 -7.515 10.827 6.660 1.00 0.00 C ATOM 658 OH TYR A 39 -8.296 11.748 7.312 1.00 0.00 O ATOM 0 H TYR A 39 -6.964 7.317 2.823 1.00 0.00 H new ATOM 0 HA TYR A 39 -4.719 9.239 2.869 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -5.447 6.950 4.787 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -4.056 8.002 4.961 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -4.366 10.425 5.464 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -7.682 7.710 5.326 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -5.769 12.079 6.656 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -9.087 9.366 6.517 1.00 0.00 H new ATOM 0 HH TYR A 39 -9.196 11.382 7.439 1.00 0.00 H new ATOM 668 N ASN A 40 -3.029 7.104 2.884 1.00 0.00 N ATOM 669 CA ASN A 40 -2.171 5.987 2.576 1.00 0.00 C ATOM 670 C ASN A 40 -2.331 5.026 3.739 1.00 0.00 C ATOM 671 O ASN A 40 -2.635 5.469 4.851 1.00 0.00 O ATOM 672 CB ASN A 40 -0.707 6.441 2.450 1.00 0.00 C ATOM 673 CG ASN A 40 0.243 5.279 2.723 1.00 0.00 C ATOM 674 OD1 ASN A 40 0.773 4.673 1.788 1.00 0.00 O ATOM 675 ND2 ASN A 40 0.486 4.921 3.943 1.00 0.00 N ATOM 0 H ASN A 40 -2.611 7.790 3.513 1.00 0.00 H new ATOM 0 HA ASN A 40 -2.437 5.525 1.625 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -0.528 6.836 1.450 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -0.510 7.251 3.153 1.00 0.00 H new ATOM 0 HD21 ASN A 40 1.114 4.140 4.130 1.00 0.00 H new ATOM 0 HD22 ASN A 40 0.049 5.420 4.718 1.00 0.00 H new ATOM 682 N PRO A 41 -2.233 3.744 3.529 1.00 0.00 N ATOM 683 CA PRO A 41 -2.511 2.796 4.648 1.00 0.00 C ATOM 684 C PRO A 41 -1.637 3.102 5.863 1.00 0.00 C ATOM 685 O PRO A 41 -0.429 3.330 5.734 1.00 0.00 O ATOM 686 CB PRO A 41 -2.166 1.426 4.055 1.00 0.00 C ATOM 687 CG PRO A 41 -2.379 1.592 2.584 1.00 0.00 C ATOM 688 CD PRO A 41 -1.966 3.027 2.264 1.00 0.00 C ATOM 0 HA PRO A 41 -3.539 2.857 5.005 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -1.137 1.144 4.278 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -2.806 0.644 4.463 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -1.780 0.877 2.019 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -3.421 1.416 2.317 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -0.916 3.090 1.979 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -2.546 3.438 1.438 1.00 0.00 H new ATOM 696 N SER A 42 -2.253 3.109 7.039 1.00 0.00 N ATOM 697 CA SER A 42 -1.537 3.411 8.265 1.00 0.00 C ATOM 698 C SER A 42 -0.431 2.395 8.479 1.00 0.00 C ATOM 699 O SER A 42 -0.613 1.214 8.203 1.00 0.00 O ATOM 700 CB SER A 42 -2.505 3.398 9.452 1.00 0.00 C ATOM 701 OG SER A 42 -3.289 4.587 9.433 1.00 0.00 O ATOM 0 H SER A 42 -3.245 2.909 7.166 1.00 0.00 H new ATOM 0 HA SER A 42 -1.093 4.403 8.185 1.00 0.00 H new ATOM 0 HB2 SER A 42 -3.151 2.522 9.400 1.00 0.00 H new ATOM 0 HB3 SER A 42 -1.950 3.329 10.388 1.00 0.00 H new ATOM 0 HG SER A 42 -4.003 4.497 8.768 1.00 0.00 H new ATOM 707 N LEU A 43 0.714 2.851 8.959 1.00 0.00 N ATOM 708 CA LEU A 43 1.852 1.964 9.138 1.00 0.00 C ATOM 709 C LEU A 43 1.548 0.858 10.122 1.00 0.00 C ATOM 710 O LEU A 43 1.847 -0.303 9.859 1.00 0.00 O ATOM 711 CB LEU A 43 3.107 2.734 9.552 1.00 0.00 C ATOM 712 CG LEU A 43 3.597 3.587 8.368 1.00 0.00 C ATOM 713 CD1 LEU A 43 4.750 4.478 8.820 1.00 0.00 C ATOM 714 CD2 LEU A 43 4.083 2.678 7.228 1.00 0.00 C ATOM 0 H LEU A 43 0.880 3.820 9.229 1.00 0.00 H new ATOM 0 HA LEU A 43 2.050 1.502 8.171 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.890 3.372 10.409 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.888 2.039 9.862 1.00 0.00 H new ATOM 0 HG LEU A 43 2.771 4.203 8.013 1.00 0.00 H new ATOM 0 HD11 LEU A 43 5.095 5.081 7.980 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.410 5.134 9.622 1.00 0.00 H new ATOM 0 HD13 LEU A 43 5.570 3.857 9.182 1.00 0.00 H new ATOM 0 HD21 LEU A 43 4.427 3.291 6.395 1.00 0.00 H new ATOM 0 HD22 LEU A 43 4.904 2.055 7.584 1.00 0.00 H new ATOM 0 HD23 LEU A 43 3.263 2.042 6.895 1.00 0.00 H new ATOM 726 N GLN A 44 0.869 1.186 11.209 1.00 0.00 N ATOM 727 CA GLN A 44 0.485 0.149 12.157 1.00 0.00 C ATOM 728 C GLN A 44 -0.310 -0.916 11.432 1.00 0.00 C ATOM 729 O GLN A 44 -0.022 -2.112 11.547 1.00 0.00 O ATOM 730 CB GLN A 44 -0.358 0.745 13.289 1.00 0.00 C ATOM 731 CG GLN A 44 0.500 1.694 14.123 1.00 0.00 C ATOM 732 CD GLN A 44 1.601 0.915 14.820 1.00 0.00 C ATOM 733 OE1 GLN A 44 1.317 0.023 15.624 1.00 0.00 O ATOM 734 NE2 GLN A 44 2.835 1.178 14.553 1.00 0.00 N ATOM 0 H GLN A 44 0.578 2.132 11.454 1.00 0.00 H new ATOM 0 HA GLN A 44 1.384 -0.291 12.590 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -1.213 1.280 12.876 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -0.754 -0.051 13.919 1.00 0.00 H new ATOM 0 HG2 GLN A 44 0.935 2.462 13.484 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -0.119 2.205 14.860 1.00 0.00 H new ATOM 0 HE21 GLN A 44 3.067 1.916 13.888 1.00 0.00 H new ATOM 0 HE22 GLN A 44 3.579 0.648 15.007 1.00 0.00 H new ATOM 743 N LEU A 45 -1.232 -0.472 10.592 1.00 0.00 N ATOM 744 CA LEU A 45 -1.959 -1.382 9.730 1.00 0.00 C ATOM 745 C LEU A 45 -1.005 -1.981 8.701 1.00 0.00 C ATOM 746 O LEU A 45 -1.062 -3.170 8.397 1.00 0.00 O ATOM 747 CB LEU A 45 -3.103 -0.650 9.015 1.00 0.00 C ATOM 748 CG LEU A 45 -4.148 -0.189 10.047 1.00 0.00 C ATOM 749 CD1 LEU A 45 -5.245 0.626 9.351 1.00 0.00 C ATOM 750 CD2 LEU A 45 -4.770 -1.403 10.746 1.00 0.00 C ATOM 0 H LEU A 45 -1.492 0.509 10.491 1.00 0.00 H new ATOM 0 HA LEU A 45 -2.386 -2.178 10.340 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.713 0.209 8.469 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.568 -1.309 8.282 1.00 0.00 H new ATOM 0 HG LEU A 45 -3.655 0.435 10.792 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -5.981 0.949 10.087 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -4.802 1.500 8.874 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -5.733 0.009 8.596 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.508 -1.065 11.474 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -5.255 -2.040 10.006 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -3.990 -1.969 11.256 1.00 0.00 H new ATOM 762 N ALA A 46 -0.130 -1.131 8.161 1.00 0.00 N ATOM 763 CA ALA A 46 0.806 -1.539 7.123 1.00 0.00 C ATOM 764 C ALA A 46 1.710 -2.643 7.607 1.00 0.00 C ATOM 765 O ALA A 46 1.973 -3.580 6.882 1.00 0.00 O ATOM 766 CB ALA A 46 1.648 -0.354 6.632 1.00 0.00 C ATOM 0 H ALA A 46 -0.053 -0.150 8.431 1.00 0.00 H new ATOM 0 HA ALA A 46 0.214 -1.913 6.288 1.00 0.00 H new ATOM 0 HB1 ALA A 46 2.336 -0.693 5.858 1.00 0.00 H new ATOM 0 HB2 ALA A 46 0.992 0.414 6.223 1.00 0.00 H new ATOM 0 HB3 ALA A 46 2.215 0.060 7.466 1.00 0.00 H new ATOM 772 N LEU A 47 2.160 -2.554 8.845 1.00 0.00 N ATOM 773 CA LEU A 47 2.998 -3.613 9.384 1.00 0.00 C ATOM 774 C LEU A 47 2.231 -4.923 9.408 1.00 0.00 C ATOM 775 O LEU A 47 2.740 -5.953 8.970 1.00 0.00 O ATOM 776 CB LEU A 47 3.532 -3.262 10.788 1.00 0.00 C ATOM 777 CG LEU A 47 4.830 -2.421 10.696 1.00 0.00 C ATOM 778 CD1 LEU A 47 5.953 -3.252 10.067 1.00 0.00 C ATOM 779 CD2 LEU A 47 4.608 -1.153 9.867 1.00 0.00 C ATOM 0 H LEU A 47 1.967 -1.782 9.483 1.00 0.00 H new ATOM 0 HA LEU A 47 3.863 -3.722 8.730 1.00 0.00 H new ATOM 0 HB2 LEU A 47 2.774 -2.707 11.341 1.00 0.00 H new ATOM 0 HB3 LEU A 47 3.727 -4.178 11.346 1.00 0.00 H new ATOM 0 HG LEU A 47 5.113 -2.130 11.708 1.00 0.00 H new ATOM 0 HD11 LEU A 47 6.860 -2.651 10.007 1.00 0.00 H new ATOM 0 HD12 LEU A 47 6.141 -4.133 10.680 1.00 0.00 H new ATOM 0 HD13 LEU A 47 5.658 -3.564 9.065 1.00 0.00 H new ATOM 0 HD21 LEU A 47 5.535 -0.582 9.819 1.00 0.00 H new ATOM 0 HD22 LEU A 47 4.299 -1.427 8.858 1.00 0.00 H new ATOM 0 HD23 LEU A 47 3.832 -0.545 10.332 1.00 0.00 H new ATOM 791 N LYS A 48 0.967 -4.865 9.815 1.00 0.00 N ATOM 792 CA LYS A 48 0.107 -6.045 9.762 1.00 0.00 C ATOM 793 C LYS A 48 -0.147 -6.434 8.307 1.00 0.00 C ATOM 794 O LYS A 48 -0.066 -7.602 7.940 1.00 0.00 O ATOM 795 CB LYS A 48 -1.231 -5.756 10.452 1.00 0.00 C ATOM 796 CG LYS A 48 -1.024 -5.468 11.949 1.00 0.00 C ATOM 797 CD LYS A 48 -0.534 -6.728 12.676 1.00 0.00 C ATOM 798 CE LYS A 48 -0.354 -6.412 14.168 1.00 0.00 C ATOM 799 NZ LYS A 48 0.083 -7.629 14.888 1.00 0.00 N ATOM 0 H LYS A 48 0.518 -4.025 10.181 1.00 0.00 H new ATOM 0 HA LYS A 48 0.606 -6.866 10.278 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -1.713 -4.902 9.976 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -1.899 -6.608 10.330 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -0.299 -4.664 12.074 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -1.959 -5.126 12.392 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -1.251 -7.539 12.548 1.00 0.00 H new ATOM 0 HD3 LYS A 48 0.409 -7.066 12.247 1.00 0.00 H new ATOM 0 HE2 LYS A 48 0.383 -5.619 14.295 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -1.291 -6.047 14.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 0.204 -7.411 15.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -0.635 -8.374 14.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 0.987 -7.959 14.495 1.00 0.00 H new ATOM 813 N ILE A 49 -0.468 -5.438 7.496 1.00 0.00 N ATOM 814 CA ILE A 49 -0.748 -5.632 6.076 1.00 0.00 C ATOM 815 C ILE A 49 0.483 -6.113 5.306 1.00 0.00 C ATOM 816 O ILE A 49 0.357 -6.836 4.322 1.00 0.00 O ATOM 817 CB ILE A 49 -1.285 -4.330 5.457 1.00 0.00 C ATOM 818 CG1 ILE A 49 -2.672 -4.010 6.027 1.00 0.00 C ATOM 819 CG2 ILE A 49 -1.385 -4.466 3.937 1.00 0.00 C ATOM 820 CD1 ILE A 49 -3.090 -2.606 5.589 1.00 0.00 C ATOM 0 H ILE A 49 -0.543 -4.468 7.802 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.507 -6.411 5.998 1.00 0.00 H new ATOM 0 HB ILE A 49 -0.595 -3.522 5.701 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -3.399 -4.743 5.678 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -2.653 -4.073 7.115 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -1.766 -3.537 3.513 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -0.398 -4.675 3.525 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -2.062 -5.283 3.689 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -4.076 -2.377 5.993 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -2.368 -1.879 5.960 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -3.125 -2.560 4.501 1.00 0.00 H new ATOM 832 N ALA A 50 1.621 -5.510 5.607 1.00 0.00 N ATOM 833 CA ALA A 50 2.819 -5.669 4.792 1.00 0.00 C ATOM 834 C ALA A 50 3.005 -7.095 4.330 1.00 0.00 C ATOM 835 O ALA A 50 3.170 -7.332 3.138 1.00 0.00 O ATOM 836 CB ALA A 50 4.064 -5.205 5.556 1.00 0.00 C ATOM 0 H ALA A 50 1.743 -4.901 6.416 1.00 0.00 H new ATOM 0 HA ALA A 50 2.686 -5.044 3.909 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.945 -5.333 4.928 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.957 -4.153 5.821 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.176 -5.798 6.464 1.00 0.00 H new ATOM 842 N TYR A 51 3.047 -8.037 5.273 1.00 0.00 N ATOM 843 CA TYR A 51 3.282 -9.454 4.944 1.00 0.00 C ATOM 844 C TYR A 51 4.379 -9.600 3.882 1.00 0.00 C ATOM 845 O TYR A 51 4.478 -10.638 3.208 1.00 0.00 O ATOM 846 CB TYR A 51 1.982 -10.095 4.432 1.00 0.00 C ATOM 847 CG TYR A 51 1.201 -10.678 5.587 1.00 0.00 C ATOM 848 CD1 TYR A 51 1.433 -11.996 5.984 1.00 0.00 C ATOM 849 CD2 TYR A 51 0.237 -9.910 6.248 1.00 0.00 C ATOM 850 CE1 TYR A 51 0.714 -12.550 7.043 1.00 0.00 C ATOM 851 CE2 TYR A 51 -0.486 -10.465 7.310 1.00 0.00 C ATOM 852 CZ TYR A 51 -0.247 -11.788 7.704 1.00 0.00 C ATOM 853 OH TYR A 51 -0.958 -12.340 8.748 1.00 0.00 O ATOM 0 H TYR A 51 2.923 -7.851 6.268 1.00 0.00 H new ATOM 0 HA TYR A 51 3.610 -9.962 5.851 1.00 0.00 H new ATOM 0 HB2 TYR A 51 1.379 -9.349 3.915 1.00 0.00 H new ATOM 0 HB3 TYR A 51 2.213 -10.876 3.708 1.00 0.00 H new ATOM 0 HD1 TYR A 51 2.173 -12.590 5.468 1.00 0.00 H new ATOM 0 HD2 TYR A 51 0.051 -8.892 5.940 1.00 0.00 H new ATOM 0 HE1 TYR A 51 0.902 -13.568 7.350 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -1.228 -9.874 7.826 1.00 0.00 H new ATOM 0 HH TYR A 51 -1.588 -11.677 9.102 1.00 0.00 H new ATOM 863 N TYR A 52 5.141 -8.531 3.681 1.00 0.00 N ATOM 864 CA TYR A 52 6.126 -8.468 2.625 1.00 0.00 C ATOM 865 C TYR A 52 5.533 -8.979 1.317 1.00 0.00 C ATOM 866 O TYR A 52 5.977 -9.998 0.781 1.00 0.00 O ATOM 867 CB TYR A 52 7.386 -9.254 3.008 1.00 0.00 C ATOM 868 CG TYR A 52 8.020 -8.595 4.209 1.00 0.00 C ATOM 869 CD1 TYR A 52 8.810 -7.455 4.041 1.00 0.00 C ATOM 870 CD2 TYR A 52 7.807 -9.114 5.490 1.00 0.00 C ATOM 871 CE1 TYR A 52 9.388 -6.836 5.149 1.00 0.00 C ATOM 872 CE2 TYR A 52 8.386 -8.492 6.601 1.00 0.00 C ATOM 873 CZ TYR A 52 9.175 -7.351 6.428 1.00 0.00 C ATOM 874 OH TYR A 52 9.744 -6.733 7.521 1.00 0.00 O ATOM 0 H TYR A 52 5.088 -7.686 4.250 1.00 0.00 H new ATOM 0 HA TYR A 52 6.417 -7.427 2.482 1.00 0.00 H new ATOM 0 HB2 TYR A 52 7.131 -10.289 3.235 1.00 0.00 H new ATOM 0 HB3 TYR A 52 8.087 -9.274 2.174 1.00 0.00 H new ATOM 0 HD1 TYR A 52 8.973 -7.053 3.052 1.00 0.00 H new ATOM 0 HD2 TYR A 52 7.196 -9.995 5.621 1.00 0.00 H new ATOM 0 HE1 TYR A 52 10.001 -5.957 5.017 1.00 0.00 H new ATOM 0 HE2 TYR A 52 8.224 -8.893 7.591 1.00 0.00 H new ATOM 0 HH TYR A 52 9.496 -7.217 8.336 1.00 0.00 H new ATOM 884 N LEU A 53 4.508 -8.274 0.818 1.00 0.00 N ATOM 885 CA LEU A 53 3.828 -8.658 -0.434 1.00 0.00 C ATOM 886 C LEU A 53 4.803 -8.601 -1.609 1.00 0.00 C ATOM 887 O LEU A 53 4.577 -7.874 -2.583 1.00 0.00 O ATOM 888 CB LEU A 53 2.637 -7.720 -0.730 1.00 0.00 C ATOM 889 CG LEU A 53 1.781 -7.495 0.527 1.00 0.00 C ATOM 890 CD1 LEU A 53 1.906 -6.037 0.983 1.00 0.00 C ATOM 891 CD2 LEU A 53 0.310 -7.781 0.204 1.00 0.00 C ATOM 0 H LEU A 53 4.130 -7.436 1.259 1.00 0.00 H new ATOM 0 HA LEU A 53 3.459 -9.676 -0.308 1.00 0.00 H new ATOM 0 HB2 LEU A 53 3.007 -6.763 -1.097 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.021 -8.148 -1.521 1.00 0.00 H new ATOM 0 HG LEU A 53 2.128 -8.162 1.316 1.00 0.00 H new ATOM 0 HD11 LEU A 53 1.298 -5.881 1.874 1.00 0.00 H new ATOM 0 HD12 LEU A 53 2.948 -5.815 1.212 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.561 -5.376 0.188 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.296 -7.621 1.096 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.026 -7.111 -0.588 1.00 0.00 H new ATOM 0 HD23 LEU A 53 0.204 -8.814 -0.126 1.00 0.00 H new ATOM 903 N ASN A 54 5.924 -9.289 -1.467 1.00 0.00 N ATOM 904 CA ASN A 54 6.991 -9.263 -2.455 1.00 0.00 C ATOM 905 C ASN A 54 7.458 -7.837 -2.697 1.00 0.00 C ATOM 906 O ASN A 54 7.909 -7.491 -3.792 1.00 0.00 O ATOM 907 CB ASN A 54 6.554 -9.937 -3.766 1.00 0.00 C ATOM 908 CG ASN A 54 6.465 -11.448 -3.572 1.00 0.00 C ATOM 909 OD1 ASN A 54 7.457 -12.087 -3.199 1.00 0.00 O ATOM 910 ND2 ASN A 54 5.342 -12.062 -3.787 1.00 0.00 N ATOM 0 H ASN A 54 6.121 -9.883 -0.661 1.00 0.00 H new ATOM 0 HA ASN A 54 7.832 -9.834 -2.061 1.00 0.00 H new ATOM 0 HB2 ASN A 54 5.587 -9.545 -4.081 1.00 0.00 H new ATOM 0 HB3 ASN A 54 7.266 -9.705 -4.558 1.00 0.00 H new ATOM 0 HD21 ASN A 54 5.277 -13.070 -3.649 1.00 0.00 H new ATOM 0 HD22 ASN A 54 4.524 -11.536 -4.094 1.00 0.00 H new ATOM 917 N THR A 55 7.408 -7.037 -1.642 1.00 0.00 N ATOM 918 CA THR A 55 7.914 -5.672 -1.646 1.00 0.00 C ATOM 919 C THR A 55 8.003 -5.159 -0.200 1.00 0.00 C ATOM 920 O THR A 55 6.974 -4.939 0.443 1.00 0.00 O ATOM 921 CB THR A 55 6.977 -4.755 -2.456 1.00 0.00 C ATOM 922 OG1 THR A 55 6.520 -5.427 -3.635 1.00 0.00 O ATOM 923 CG2 THR A 55 7.709 -3.458 -2.846 1.00 0.00 C ATOM 0 H THR A 55 7.010 -7.321 -0.747 1.00 0.00 H new ATOM 0 HA THR A 55 8.902 -5.662 -2.106 1.00 0.00 H new ATOM 0 HB THR A 55 6.116 -4.505 -1.835 1.00 0.00 H new ATOM 0 HG1 THR A 55 7.282 -5.842 -4.091 1.00 0.00 H new ATOM 0 HG21 THR A 55 7.037 -2.819 -3.418 1.00 0.00 H new ATOM 0 HG22 THR A 55 8.028 -2.935 -1.944 1.00 0.00 H new ATOM 0 HG23 THR A 55 8.582 -3.701 -3.452 1.00 0.00 H new ATOM 931 N PRO A 56 9.190 -4.921 0.300 1.00 0.00 N ATOM 932 CA PRO A 56 9.364 -4.328 1.667 1.00 0.00 C ATOM 933 C PRO A 56 8.834 -2.896 1.714 1.00 0.00 C ATOM 934 O PRO A 56 9.016 -2.134 0.761 1.00 0.00 O ATOM 935 CB PRO A 56 10.885 -4.347 1.891 1.00 0.00 C ATOM 936 CG PRO A 56 11.407 -5.330 0.896 1.00 0.00 C ATOM 937 CD PRO A 56 10.493 -5.211 -0.315 1.00 0.00 C ATOM 0 HA PRO A 56 8.816 -4.879 2.431 1.00 0.00 H new ATOM 0 HB2 PRO A 56 11.320 -3.359 1.736 1.00 0.00 H new ATOM 0 HB3 PRO A 56 11.131 -4.647 2.910 1.00 0.00 H new ATOM 0 HG2 PRO A 56 12.441 -5.108 0.630 1.00 0.00 H new ATOM 0 HG3 PRO A 56 11.392 -6.342 1.300 1.00 0.00 H new ATOM 0 HD2 PRO A 56 10.811 -4.414 -0.987 1.00 0.00 H new ATOM 0 HD3 PRO A 56 10.471 -6.131 -0.899 1.00 0.00 H new ATOM 945 N LEU A 57 8.267 -2.502 2.842 1.00 0.00 N ATOM 946 CA LEU A 57 7.797 -1.129 3.002 1.00 0.00 C ATOM 947 C LEU A 57 8.967 -0.167 2.878 1.00 0.00 C ATOM 948 O LEU A 57 8.854 0.886 2.249 1.00 0.00 O ATOM 949 CB LEU A 57 7.143 -0.938 4.389 1.00 0.00 C ATOM 950 CG LEU A 57 5.665 -1.384 4.398 1.00 0.00 C ATOM 951 CD1 LEU A 57 4.771 -0.248 3.900 1.00 0.00 C ATOM 952 CD2 LEU A 57 5.457 -2.625 3.528 1.00 0.00 C ATOM 0 H LEU A 57 8.120 -3.102 3.654 1.00 0.00 H new ATOM 0 HA LEU A 57 7.061 -0.927 2.224 1.00 0.00 H new ATOM 0 HB2 LEU A 57 7.698 -1.509 5.133 1.00 0.00 H new ATOM 0 HB3 LEU A 57 7.207 0.111 4.679 1.00 0.00 H new ATOM 0 HG LEU A 57 5.395 -1.635 5.424 1.00 0.00 H new ATOM 0 HD11 LEU A 57 3.731 -0.573 3.910 1.00 0.00 H new ATOM 0 HD12 LEU A 57 4.887 0.618 4.551 1.00 0.00 H new ATOM 0 HD13 LEU A 57 5.057 0.021 2.883 1.00 0.00 H new ATOM 0 HD21 LEU A 57 4.407 -2.916 3.554 1.00 0.00 H new ATOM 0 HD22 LEU A 57 5.747 -2.402 2.501 1.00 0.00 H new ATOM 0 HD23 LEU A 57 6.069 -3.443 3.908 1.00 0.00 H new ATOM 964 N GLU A 58 10.073 -0.516 3.518 1.00 0.00 N ATOM 965 CA GLU A 58 11.240 0.344 3.538 1.00 0.00 C ATOM 966 C GLU A 58 11.865 0.447 2.156 1.00 0.00 C ATOM 967 O GLU A 58 12.299 1.520 1.739 1.00 0.00 O ATOM 968 CB GLU A 58 12.276 -0.212 4.514 1.00 0.00 C ATOM 969 CG GLU A 58 11.645 -0.374 5.910 1.00 0.00 C ATOM 970 CD GLU A 58 10.961 -1.731 6.057 1.00 0.00 C ATOM 971 OE1 GLU A 58 10.883 -2.456 5.088 1.00 0.00 O ATOM 972 OE2 GLU A 58 10.529 -2.026 7.143 1.00 0.00 O ATOM 0 H GLU A 58 10.184 -1.391 4.030 1.00 0.00 H new ATOM 0 HA GLU A 58 10.923 1.337 3.855 1.00 0.00 H new ATOM 0 HB2 GLU A 58 12.645 -1.174 4.158 1.00 0.00 H new ATOM 0 HB3 GLU A 58 13.134 0.458 4.568 1.00 0.00 H new ATOM 0 HG2 GLU A 58 12.415 -0.268 6.674 1.00 0.00 H new ATOM 0 HG3 GLU A 58 10.919 0.421 6.077 1.00 0.00 H new ATOM 979 N ASP A 59 11.930 -0.685 1.461 1.00 0.00 N ATOM 980 CA ASP A 59 12.586 -0.759 0.158 1.00 0.00 C ATOM 981 C ASP A 59 11.933 0.165 -0.837 1.00 0.00 C ATOM 982 O ASP A 59 12.596 0.727 -1.707 1.00 0.00 O ATOM 983 CB ASP A 59 12.596 -2.189 -0.384 1.00 0.00 C ATOM 984 CG ASP A 59 13.543 -2.282 -1.564 1.00 0.00 C ATOM 985 OD1 ASP A 59 14.718 -2.050 -1.378 1.00 0.00 O ATOM 986 OD2 ASP A 59 13.085 -2.576 -2.642 1.00 0.00 O ATOM 0 H ASP A 59 11.534 -1.569 1.780 1.00 0.00 H new ATOM 0 HA ASP A 59 13.618 -0.440 0.303 1.00 0.00 H new ATOM 0 HB2 ASP A 59 12.905 -2.882 0.398 1.00 0.00 H new ATOM 0 HB3 ASP A 59 11.591 -2.480 -0.689 1.00 0.00 H new ATOM 991 N ILE A 60 10.638 0.345 -0.695 1.00 0.00 N ATOM 992 CA ILE A 60 9.895 1.228 -1.575 1.00 0.00 C ATOM 993 C ILE A 60 10.437 2.644 -1.434 1.00 0.00 C ATOM 994 O ILE A 60 10.690 3.327 -2.424 1.00 0.00 O ATOM 995 CB ILE A 60 8.401 1.174 -1.225 1.00 0.00 C ATOM 996 CG1 ILE A 60 7.849 -0.210 -1.581 1.00 0.00 C ATOM 997 CG2 ILE A 60 7.629 2.242 -2.002 1.00 0.00 C ATOM 998 CD1 ILE A 60 6.440 -0.358 -1.014 1.00 0.00 C ATOM 0 H ILE A 60 10.074 -0.109 0.023 1.00 0.00 H new ATOM 0 HA ILE A 60 10.012 0.908 -2.610 1.00 0.00 H new ATOM 0 HB ILE A 60 8.282 1.362 -0.158 1.00 0.00 H new ATOM 0 HG12 ILE A 60 7.832 -0.339 -2.663 1.00 0.00 H new ATOM 0 HG13 ILE A 60 8.498 -0.987 -1.177 1.00 0.00 H new ATOM 0 HG21 ILE A 60 6.572 2.189 -1.741 1.00 0.00 H new ATOM 0 HG22 ILE A 60 8.016 3.228 -1.747 1.00 0.00 H new ATOM 0 HG23 ILE A 60 7.748 2.071 -3.072 1.00 0.00 H new ATOM 0 HD11 ILE A 60 6.047 -1.343 -1.267 1.00 0.00 H new ATOM 0 HD12 ILE A 60 6.471 -0.247 0.070 1.00 0.00 H new ATOM 0 HD13 ILE A 60 5.794 0.410 -1.439 1.00 0.00 H new ATOM 1010 N PHE A 61 10.690 3.043 -0.208 1.00 0.00 N ATOM 1011 CA PHE A 61 11.303 4.333 0.060 1.00 0.00 C ATOM 1012 C PHE A 61 12.703 4.389 -0.537 1.00 0.00 C ATOM 1013 O PHE A 61 13.194 5.465 -0.893 1.00 0.00 O ATOM 1014 CB PHE A 61 11.354 4.614 1.571 1.00 0.00 C ATOM 1015 CG PHE A 61 9.968 4.959 2.064 1.00 0.00 C ATOM 1016 CD1 PHE A 61 9.488 6.264 1.933 1.00 0.00 C ATOM 1017 CD2 PHE A 61 9.160 3.973 2.639 1.00 0.00 C ATOM 1018 CE1 PHE A 61 8.207 6.585 2.378 1.00 0.00 C ATOM 1019 CE2 PHE A 61 7.876 4.296 3.085 1.00 0.00 C ATOM 1020 CZ PHE A 61 7.398 5.602 2.953 1.00 0.00 C ATOM 0 H PHE A 61 10.481 2.493 0.625 1.00 0.00 H new ATOM 0 HA PHE A 61 10.691 5.104 -0.409 1.00 0.00 H new ATOM 0 HB2 PHE A 61 11.734 3.741 2.102 1.00 0.00 H new ATOM 0 HB3 PHE A 61 12.040 5.436 1.776 1.00 0.00 H new ATOM 0 HD1 PHE A 61 10.110 7.025 1.486 1.00 0.00 H new ATOM 0 HD2 PHE A 61 9.528 2.963 2.738 1.00 0.00 H new ATOM 0 HE1 PHE A 61 7.839 7.595 2.278 1.00 0.00 H new ATOM 0 HE2 PHE A 61 7.253 3.536 3.532 1.00 0.00 H new ATOM 0 HZ PHE A 61 6.404 5.851 3.295 1.00 0.00 H new ATOM 1030 N GLN A 62 13.378 3.250 -0.552 1.00 0.00 N ATOM 1031 CA GLN A 62 14.756 3.174 -1.029 1.00 0.00 C ATOM 1032 C GLN A 62 14.828 3.217 -2.557 1.00 0.00 C ATOM 1033 O GLN A 62 13.868 2.858 -3.248 1.00 0.00 O ATOM 1034 CB GLN A 62 15.442 1.908 -0.502 1.00 0.00 C ATOM 1035 CG GLN A 62 15.365 1.886 1.030 1.00 0.00 C ATOM 1036 CD GLN A 62 16.009 3.135 1.601 1.00 0.00 C ATOM 1037 OE1 GLN A 62 17.161 3.431 1.302 1.00 0.00 O ATOM 1038 NE2 GLN A 62 15.328 3.901 2.392 1.00 0.00 N ATOM 0 H GLN A 62 12.994 2.359 -0.238 1.00 0.00 H new ATOM 0 HA GLN A 62 15.282 4.048 -0.645 1.00 0.00 H new ATOM 0 HB2 GLN A 62 14.960 1.022 -0.914 1.00 0.00 H new ATOM 0 HB3 GLN A 62 16.483 1.884 -0.825 1.00 0.00 H new ATOM 0 HG2 GLN A 62 14.324 1.825 1.349 1.00 0.00 H new ATOM 0 HG3 GLN A 62 15.869 0.999 1.415 1.00 0.00 H new ATOM 0 HE21 GLN A 62 14.370 3.655 2.640 1.00 0.00 H new ATOM 0 HE22 GLN A 62 15.750 4.751 2.767 1.00 0.00 H new ATOM 1047 N TRP A 63 15.979 3.654 -3.071 1.00 0.00 N ATOM 1048 CA TRP A 63 16.221 3.762 -4.517 1.00 0.00 C ATOM 1049 C TRP A 63 15.272 4.757 -5.182 1.00 0.00 C ATOM 1050 O TRP A 63 15.713 5.688 -5.852 1.00 0.00 O ATOM 1051 CB TRP A 63 16.144 2.363 -5.206 1.00 0.00 C ATOM 1052 CG TRP A 63 15.239 2.409 -6.409 1.00 0.00 C ATOM 1053 CD1 TRP A 63 14.061 1.756 -6.520 1.00 0.00 C ATOM 1054 CD2 TRP A 63 15.416 3.146 -7.653 1.00 0.00 C ATOM 1055 NE1 TRP A 63 13.508 2.049 -7.753 1.00 0.00 N ATOM 1056 CE2 TRP A 63 14.303 2.902 -8.484 1.00 0.00 C ATOM 1057 CE3 TRP A 63 16.423 4.001 -8.131 1.00 0.00 C ATOM 1058 CZ2 TRP A 63 14.189 3.481 -9.745 1.00 0.00 C ATOM 1059 CZ3 TRP A 63 16.317 4.582 -9.404 1.00 0.00 C ATOM 1060 CH2 TRP A 63 15.198 4.327 -10.207 1.00 0.00 C ATOM 0 H TRP A 63 16.772 3.944 -2.499 1.00 0.00 H new ATOM 0 HA TRP A 63 17.232 4.147 -4.647 1.00 0.00 H new ATOM 0 HB2 TRP A 63 17.142 2.046 -5.508 1.00 0.00 H new ATOM 0 HB3 TRP A 63 15.775 1.623 -4.496 1.00 0.00 H new ATOM 0 HD1 TRP A 63 13.624 1.113 -5.771 1.00 0.00 H new ATOM 0 HE1 TRP A 63 12.617 1.677 -8.082 1.00 0.00 H new ATOM 0 HE3 TRP A 63 17.284 4.213 -7.515 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 13.326 3.277 -10.361 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 17.102 5.229 -9.766 1.00 0.00 H new ATOM 0 HH2 TRP A 63 15.116 4.784 -11.182 1.00 0.00 H new ATOM 1071 N GLN A 64 13.978 4.509 -5.052 1.00 0.00 N ATOM 1072 CA GLN A 64 12.967 5.329 -5.709 1.00 0.00 C ATOM 1073 C GLN A 64 13.285 6.808 -5.554 1.00 0.00 C ATOM 1074 O GLN A 64 13.117 7.365 -4.469 1.00 0.00 O ATOM 1075 CB GLN A 64 11.574 5.039 -5.134 1.00 0.00 C ATOM 1076 CG GLN A 64 10.775 4.150 -6.106 1.00 0.00 C ATOM 1077 CD GLN A 64 10.713 2.712 -5.600 1.00 0.00 C ATOM 1078 OE1 GLN A 64 9.805 1.960 -5.976 1.00 0.00 O ATOM 1079 NE2 GLN A 64 11.619 2.269 -4.781 1.00 0.00 N ATOM 0 H GLN A 64 13.600 3.743 -4.495 1.00 0.00 H new ATOM 0 HA GLN A 64 12.973 5.076 -6.769 1.00 0.00 H new ATOM 0 HB2 GLN A 64 11.667 4.543 -4.168 1.00 0.00 H new ATOM 0 HB3 GLN A 64 11.041 5.974 -4.962 1.00 0.00 H new ATOM 0 HG2 GLN A 64 9.765 4.544 -6.219 1.00 0.00 H new ATOM 0 HG3 GLN A 64 11.239 4.173 -7.092 1.00 0.00 H new ATOM 0 HE21 GLN A 64 12.369 2.885 -4.469 1.00 0.00 H new ATOM 0 HE22 GLN A 64 11.580 1.305 -4.451 1.00 0.00 H new ATOM 1088 N PRO A 65 13.742 7.459 -6.598 1.00 0.00 N ATOM 1089 CA PRO A 65 14.069 8.909 -6.491 1.00 0.00 C ATOM 1090 C PRO A 65 12.842 9.684 -6.028 1.00 0.00 C ATOM 1091 O PRO A 65 11.816 9.720 -6.733 1.00 0.00 O ATOM 1092 CB PRO A 65 14.446 9.319 -7.931 1.00 0.00 C ATOM 1093 CG PRO A 65 14.687 8.038 -8.663 1.00 0.00 C ATOM 1094 CD PRO A 65 13.807 6.990 -7.995 1.00 0.00 C ATOM 0 HA PRO A 65 14.866 9.112 -5.776 1.00 0.00 H new ATOM 0 HB2 PRO A 65 13.645 9.893 -8.398 1.00 0.00 H new ATOM 0 HB3 PRO A 65 15.336 9.949 -7.939 1.00 0.00 H new ATOM 0 HG2 PRO A 65 14.436 8.141 -9.719 1.00 0.00 H new ATOM 0 HG3 PRO A 65 15.738 7.753 -8.612 1.00 0.00 H new ATOM 0 HD2 PRO A 65 12.818 6.942 -8.452 1.00 0.00 H new ATOM 0 HD3 PRO A 65 14.241 5.993 -8.067 1.00 0.00 H new ATOM 1102 N GLU A 66 12.951 10.331 -4.879 1.00 0.00 N ATOM 1103 CA GLU A 66 11.843 11.099 -4.334 1.00 0.00 C ATOM 1104 C GLU A 66 11.927 12.524 -4.832 1.00 0.00 C ATOM 1105 O GLU A 66 13.018 13.039 -4.888 1.00 0.00 O ATOM 1106 CB GLU A 66 11.886 11.103 -2.802 1.00 0.00 C ATOM 1107 CG GLU A 66 12.358 9.741 -2.275 1.00 0.00 C ATOM 1108 CD GLU A 66 12.686 9.854 -0.805 1.00 0.00 C ATOM 1109 OE1 GLU A 66 13.626 10.547 -0.484 1.00 0.00 O ATOM 1110 OE2 GLU A 66 11.994 9.256 -0.013 1.00 0.00 O ATOM 1111 OXT GLU A 66 10.909 13.077 -5.150 1.00 0.00 O ATOM 0 H GLU A 66 13.795 10.340 -4.306 1.00 0.00 H new ATOM 0 HA GLU A 66 10.910 10.639 -4.660 1.00 0.00 H new ATOM 0 HB2 GLU A 66 12.558 11.887 -2.453 1.00 0.00 H new ATOM 0 HB3 GLU A 66 10.897 11.330 -2.405 1.00 0.00 H new ATOM 0 HG2 GLU A 66 11.582 8.991 -2.428 1.00 0.00 H new ATOM 0 HG3 GLU A 66 13.236 9.409 -2.830 1.00 0.00 H new TER 1118 GLU A 66