USER MOD reduce.3.24.130724 H: found=0, std=0, add=585, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 582 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 60 ASN : amide:sc= -0.354 K(o=-0.72,f=-1.4) USER MOD Set 1.2: A 62 GLN : amide:sc= -0.368 X(o=-0.72,f=-0.57) USER MOD Set 2.1: A 22 THR OG1 : rot 180:sc=0.000736 USER MOD Set 2.2: A 25 ASN : amide:sc= -0.193 K(o=-0.19,f=-1.1) USER MOD Set 3.1: A 7 THR OG1 : rot 118:sc= 1.04 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 0.916 USER MOD Single : A 1 MET CE :methyl -165:sc= -0.387 (180deg=-1.07) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc=-0.00403 X(o=-0.004,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -160:sc= 1.26 (180deg=0.911) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.532 USER MOD Single : A 14 THR OG1 : rot -55:sc= 0.109 USER MOD Single : A 20 SER OG : rot 49:sc= 1.24 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= 0.319 K(o=0.32,f=-1.1) USER MOD Single : A 33 LYS NZ :NH3+ -168:sc= -0.0139 (180deg=-0.169) USER MOD Single : A 40 GLN : amide:sc= 0.0546 K(o=0.055,f=-0.51) USER MOD Single : A 41 ASN : amide:sc= 0.603 K(o=0.6,f=-0.021) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.0492 X(o=-0.049,f=-0.24) USER MOD Single : A 55 THR OG1 : rot -68:sc= 1.26 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot -173:sc= 0.00905 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -86:sc= 1.33 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.345 X(o=-0.35,f=-0.012) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 14.930 -5.136 0.256 1.00 0.00 N ATOM 2 CA MET A 1 13.910 -4.305 0.915 1.00 0.00 C ATOM 3 C MET A 1 12.536 -4.869 0.624 1.00 0.00 C ATOM 4 O MET A 1 12.094 -4.848 -0.522 1.00 0.00 O ATOM 5 CB MET A 1 14.014 -2.825 0.510 1.00 0.00 C ATOM 6 CG MET A 1 12.799 -1.980 0.914 1.00 0.00 C ATOM 7 SD MET A 1 13.064 -0.201 0.701 1.00 0.00 S ATOM 8 CE MET A 1 11.546 0.439 1.440 1.00 0.00 C ATOM 0 H1 MET A 1 15.875 -4.749 0.455 1.00 0.00 H new ATOM 0 H2 MET A 1 14.871 -6.109 0.617 1.00 0.00 H new ATOM 0 H3 MET A 1 14.766 -5.137 -0.771 1.00 0.00 H new ATOM 0 HA MET A 1 14.085 -4.335 1.990 1.00 0.00 H new ATOM 0 HB2 MET A 1 14.908 -2.397 0.963 1.00 0.00 H new ATOM 0 HB3 MET A 1 14.144 -2.763 -0.570 1.00 0.00 H new ATOM 0 HG2 MET A 1 11.938 -2.286 0.320 1.00 0.00 H new ATOM 0 HG3 MET A 1 12.555 -2.182 1.957 1.00 0.00 H new ATOM 0 HE1 MET A 1 11.418 1.485 1.160 1.00 0.00 H new ATOM 0 HE2 MET A 1 10.695 -0.140 1.081 1.00 0.00 H new ATOM 0 HE3 MET A 1 11.608 0.359 2.525 1.00 0.00 H new ATOM 18 N GLN A 2 11.870 -5.427 1.633 1.00 0.00 N ATOM 19 CA GLN A 2 10.526 -5.957 1.467 1.00 0.00 C ATOM 20 C GLN A 2 9.607 -5.215 2.431 1.00 0.00 C ATOM 21 O GLN A 2 10.081 -4.633 3.403 1.00 0.00 O ATOM 22 CB GLN A 2 10.475 -7.491 1.595 1.00 0.00 C ATOM 23 CG GLN A 2 11.078 -8.054 2.887 1.00 0.00 C ATOM 24 CD GLN A 2 10.690 -9.520 3.084 1.00 0.00 C ATOM 25 OE1 GLN A 2 11.179 -10.422 2.406 1.00 0.00 O ATOM 26 NE2 GLN A 2 9.806 -9.804 4.024 1.00 0.00 N ATOM 0 H GLN A 2 12.245 -5.522 2.577 1.00 0.00 H new ATOM 0 HA GLN A 2 10.173 -5.780 0.451 1.00 0.00 H new ATOM 0 HB2 GLN A 2 9.435 -7.812 1.527 1.00 0.00 H new ATOM 0 HB3 GLN A 2 11.000 -7.929 0.746 1.00 0.00 H new ATOM 0 HG2 GLN A 2 12.164 -7.963 2.855 1.00 0.00 H new ATOM 0 HG3 GLN A 2 10.734 -7.466 3.738 1.00 0.00 H new ATOM 0 HE21 GLN A 2 9.401 -9.055 4.586 1.00 0.00 H new ATOM 0 HE22 GLN A 2 9.529 -10.772 4.188 1.00 0.00 H new ATOM 35 N ILE A 3 8.312 -5.161 2.149 1.00 0.00 N ATOM 36 CA ILE A 3 7.333 -4.506 3.015 1.00 0.00 C ATOM 37 C ILE A 3 6.152 -5.452 3.196 1.00 0.00 C ATOM 38 O ILE A 3 6.049 -6.463 2.485 1.00 0.00 O ATOM 39 CB ILE A 3 6.924 -3.114 2.479 1.00 0.00 C ATOM 40 CG1 ILE A 3 6.250 -3.204 1.091 1.00 0.00 C ATOM 41 CG2 ILE A 3 8.149 -2.179 2.477 1.00 0.00 C ATOM 42 CD1 ILE A 3 5.543 -1.910 0.674 1.00 0.00 C ATOM 0 H ILE A 3 7.906 -5.572 1.308 1.00 0.00 H new ATOM 0 HA ILE A 3 7.773 -4.305 3.992 1.00 0.00 H new ATOM 0 HB ILE A 3 6.173 -2.690 3.145 1.00 0.00 H new ATOM 0 HG12 ILE A 3 7.004 -3.454 0.345 1.00 0.00 H new ATOM 0 HG13 ILE A 3 5.526 -4.019 1.099 1.00 0.00 H new ATOM 0 HG21 ILE A 3 7.858 -1.199 2.099 1.00 0.00 H new ATOM 0 HG22 ILE A 3 8.531 -2.077 3.493 1.00 0.00 H new ATOM 0 HG23 ILE A 3 8.926 -2.598 1.838 1.00 0.00 H new ATOM 0 HD11 ILE A 3 5.092 -2.043 -0.309 1.00 0.00 H new ATOM 0 HD12 ILE A 3 4.766 -1.669 1.400 1.00 0.00 H new ATOM 0 HD13 ILE A 3 6.267 -1.096 0.634 1.00 0.00 H new ATOM 54 N PHE A 4 5.254 -5.132 4.120 1.00 0.00 N ATOM 55 CA PHE A 4 4.066 -5.906 4.413 1.00 0.00 C ATOM 56 C PHE A 4 2.850 -5.008 4.252 1.00 0.00 C ATOM 57 O PHE A 4 2.936 -3.802 4.495 1.00 0.00 O ATOM 58 CB PHE A 4 4.095 -6.446 5.850 1.00 0.00 C ATOM 59 CG PHE A 4 5.290 -7.297 6.231 1.00 0.00 C ATOM 60 CD1 PHE A 4 5.322 -8.664 5.896 1.00 0.00 C ATOM 61 CD2 PHE A 4 6.346 -6.735 6.972 1.00 0.00 C ATOM 62 CE1 PHE A 4 6.398 -9.468 6.312 1.00 0.00 C ATOM 63 CE2 PHE A 4 7.423 -7.539 7.384 1.00 0.00 C ATOM 64 CZ PHE A 4 7.446 -8.908 7.064 1.00 0.00 C ATOM 0 H PHE A 4 5.341 -4.299 4.702 1.00 0.00 H new ATOM 0 HA PHE A 4 4.023 -6.752 3.727 1.00 0.00 H new ATOM 0 HB2 PHE A 4 4.049 -5.598 6.534 1.00 0.00 H new ATOM 0 HB3 PHE A 4 3.192 -7.035 6.011 1.00 0.00 H new ATOM 0 HD1 PHE A 4 4.518 -9.096 5.318 1.00 0.00 H new ATOM 0 HD2 PHE A 4 6.329 -5.685 7.224 1.00 0.00 H new ATOM 0 HE1 PHE A 4 6.420 -10.516 6.054 1.00 0.00 H new ATOM 0 HE2 PHE A 4 8.235 -7.104 7.948 1.00 0.00 H new ATOM 0 HZ PHE A 4 8.266 -9.528 7.395 1.00 0.00 H new ATOM 74 N VAL A 5 1.712 -5.581 3.864 1.00 0.00 N ATOM 75 CA VAL A 5 0.476 -4.829 3.702 1.00 0.00 C ATOM 76 C VAL A 5 -0.689 -5.658 4.249 1.00 0.00 C ATOM 77 O VAL A 5 -0.828 -6.817 3.866 1.00 0.00 O ATOM 78 CB VAL A 5 0.255 -4.367 2.244 1.00 0.00 C ATOM 79 CG1 VAL A 5 -0.810 -3.265 2.238 1.00 0.00 C ATOM 80 CG2 VAL A 5 1.496 -3.777 1.552 1.00 0.00 C ATOM 0 H VAL A 5 1.624 -6.575 3.655 1.00 0.00 H new ATOM 0 HA VAL A 5 0.543 -3.907 4.279 1.00 0.00 H new ATOM 0 HB VAL A 5 -0.030 -5.265 1.696 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -0.978 -2.927 1.215 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -1.741 -3.656 2.649 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -0.469 -2.427 2.846 1.00 0.00 H new ATOM 0 HG21 VAL A 5 1.240 -3.483 0.534 1.00 0.00 H new ATOM 0 HG22 VAL A 5 1.841 -2.904 2.106 1.00 0.00 H new ATOM 0 HG23 VAL A 5 2.288 -4.526 1.525 1.00 0.00 H new ATOM 90 N LYS A 6 -1.507 -5.093 5.145 1.00 0.00 N ATOM 91 CA LYS A 6 -2.680 -5.763 5.731 1.00 0.00 C ATOM 92 C LYS A 6 -3.926 -5.415 4.902 1.00 0.00 C ATOM 93 O LYS A 6 -4.250 -4.229 4.775 1.00 0.00 O ATOM 94 CB LYS A 6 -2.852 -5.313 7.191 1.00 0.00 C ATOM 95 CG LYS A 6 -4.070 -5.920 7.919 1.00 0.00 C ATOM 96 CD LYS A 6 -4.039 -7.443 8.131 1.00 0.00 C ATOM 97 CE LYS A 6 -2.811 -7.984 8.872 1.00 0.00 C ATOM 98 NZ LYS A 6 -2.811 -7.673 10.316 1.00 0.00 N ATOM 0 H LYS A 6 -1.373 -4.143 5.490 1.00 0.00 H new ATOM 0 HA LYS A 6 -2.540 -6.844 5.718 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -1.950 -5.573 7.745 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -2.938 -4.227 7.213 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -4.163 -5.439 8.893 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -4.968 -5.670 7.354 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -4.932 -7.733 8.685 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -4.096 -7.929 7.157 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -2.764 -9.065 8.741 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -1.911 -7.569 8.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -1.955 -8.067 10.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -2.826 -6.642 10.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -3.653 -8.091 10.761 1.00 0.00 H new ATOM 112 N THR A 7 -4.574 -6.397 4.271 1.00 0.00 N ATOM 113 CA THR A 7 -5.783 -6.196 3.465 1.00 0.00 C ATOM 114 C THR A 7 -7.056 -6.183 4.332 1.00 0.00 C ATOM 115 O THR A 7 -7.043 -6.639 5.476 1.00 0.00 O ATOM 116 CB THR A 7 -5.891 -7.316 2.410 1.00 0.00 C ATOM 117 OG1 THR A 7 -5.995 -8.568 3.054 1.00 0.00 O ATOM 118 CG2 THR A 7 -4.694 -7.346 1.452 1.00 0.00 C ATOM 0 H THR A 7 -4.270 -7.370 4.306 1.00 0.00 H new ATOM 0 HA THR A 7 -5.701 -5.224 2.978 1.00 0.00 H new ATOM 0 HB THR A 7 -6.783 -7.109 1.818 1.00 0.00 H new ATOM 0 HG1 THR A 7 -6.853 -8.983 2.826 1.00 0.00 H new ATOM 0 HG21 THR A 7 -4.824 -8.154 0.732 1.00 0.00 H new ATOM 0 HG22 THR A 7 -4.628 -6.395 0.923 1.00 0.00 H new ATOM 0 HG23 THR A 7 -3.778 -7.510 2.019 1.00 0.00 H new ATOM 126 N LEU A 8 -8.192 -5.757 3.758 1.00 0.00 N ATOM 127 CA LEU A 8 -9.523 -5.711 4.386 1.00 0.00 C ATOM 128 C LEU A 8 -10.100 -7.102 4.672 1.00 0.00 C ATOM 129 O LEU A 8 -11.199 -7.211 5.214 1.00 0.00 O ATOM 130 CB LEU A 8 -10.525 -4.919 3.522 1.00 0.00 C ATOM 131 CG LEU A 8 -11.032 -5.597 2.222 1.00 0.00 C ATOM 132 CD1 LEU A 8 -11.818 -4.561 1.418 1.00 0.00 C ATOM 133 CD2 LEU A 8 -9.972 -6.185 1.277 1.00 0.00 C ATOM 0 H LEU A 8 -8.209 -5.418 2.796 1.00 0.00 H new ATOM 0 HA LEU A 8 -9.377 -5.204 5.340 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -11.391 -4.683 4.140 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -10.061 -3.971 3.250 1.00 0.00 H new ATOM 0 HG LEU A 8 -11.616 -6.448 2.574 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -12.185 -5.016 0.498 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -12.662 -4.206 2.009 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -11.168 -3.721 1.173 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -10.463 -6.627 0.410 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -9.298 -5.394 0.948 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -9.402 -6.952 1.802 1.00 0.00 H new ATOM 145 N THR A 9 -9.405 -8.159 4.264 1.00 0.00 N ATOM 146 CA THR A 9 -9.797 -9.541 4.482 1.00 0.00 C ATOM 147 C THR A 9 -9.033 -10.106 5.689 1.00 0.00 C ATOM 148 O THR A 9 -9.397 -11.161 6.217 1.00 0.00 O ATOM 149 CB THR A 9 -9.571 -10.329 3.179 1.00 0.00 C ATOM 150 OG1 THR A 9 -8.349 -10.003 2.531 1.00 0.00 O ATOM 151 CG2 THR A 9 -10.715 -10.008 2.212 1.00 0.00 C ATOM 0 H THR A 9 -8.525 -8.071 3.756 1.00 0.00 H new ATOM 0 HA THR A 9 -10.856 -9.624 4.726 1.00 0.00 H new ATOM 0 HB THR A 9 -9.534 -11.385 3.446 1.00 0.00 H new ATOM 0 HG1 THR A 9 -8.261 -10.535 1.713 1.00 0.00 H new ATOM 0 HG21 THR A 9 -10.571 -10.558 1.282 1.00 0.00 H new ATOM 0 HG22 THR A 9 -11.664 -10.298 2.662 1.00 0.00 H new ATOM 0 HG23 THR A 9 -10.725 -8.938 2.003 1.00 0.00 H new ATOM 159 N GLY A 10 -7.966 -9.417 6.110 1.00 0.00 N ATOM 160 CA GLY A 10 -7.103 -9.743 7.225 1.00 0.00 C ATOM 161 C GLY A 10 -5.841 -10.465 6.778 1.00 0.00 C ATOM 162 O GLY A 10 -5.070 -10.899 7.635 1.00 0.00 O ATOM 0 H GLY A 10 -7.672 -8.560 5.641 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -6.830 -8.828 7.751 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -7.647 -10.368 7.933 1.00 0.00 H new ATOM 166 N LYS A 11 -5.592 -10.607 5.469 1.00 0.00 N ATOM 167 CA LYS A 11 -4.385 -11.288 5.019 1.00 0.00 C ATOM 168 C LYS A 11 -3.244 -10.286 5.111 1.00 0.00 C ATOM 169 O LYS A 11 -3.464 -9.070 5.122 1.00 0.00 O ATOM 170 CB LYS A 11 -4.561 -11.711 3.542 1.00 0.00 C ATOM 171 CG LYS A 11 -5.254 -13.068 3.344 1.00 0.00 C ATOM 172 CD LYS A 11 -4.274 -14.256 3.343 1.00 0.00 C ATOM 173 CE LYS A 11 -3.233 -14.234 2.207 1.00 0.00 C ATOM 174 NZ LYS A 11 -3.846 -14.140 0.865 1.00 0.00 N ATOM 0 H LYS A 11 -6.199 -10.266 4.723 1.00 0.00 H new ATOM 0 HA LYS A 11 -4.186 -12.171 5.626 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -5.138 -10.944 3.024 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -3.580 -11.746 3.068 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -5.989 -13.212 4.136 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -5.800 -13.055 2.401 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -3.749 -14.276 4.298 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -4.846 -15.181 3.274 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -2.561 -13.389 2.354 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -2.625 -15.137 2.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -3.165 -14.463 0.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -4.696 -14.738 0.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -4.109 -13.153 0.672 1.00 0.00 H new ATOM 188 N THR A 12 -2.023 -10.797 5.074 1.00 0.00 N ATOM 189 CA THR A 12 -0.832 -9.981 5.116 1.00 0.00 C ATOM 190 C THR A 12 -0.058 -10.383 3.879 1.00 0.00 C ATOM 191 O THR A 12 0.110 -11.574 3.600 1.00 0.00 O ATOM 192 CB THR A 12 -0.079 -10.152 6.443 1.00 0.00 C ATOM 193 OG1 THR A 12 -0.991 -9.960 7.506 1.00 0.00 O ATOM 194 CG2 THR A 12 1.016 -9.090 6.588 1.00 0.00 C ATOM 0 H THR A 12 -1.836 -11.798 5.014 1.00 0.00 H new ATOM 0 HA THR A 12 -1.034 -8.910 5.096 1.00 0.00 H new ATOM 0 HB THR A 12 0.366 -11.147 6.462 1.00 0.00 H new ATOM 0 HG1 THR A 12 -0.524 -10.068 8.361 1.00 0.00 H new ATOM 0 HG21 THR A 12 1.536 -9.231 7.535 1.00 0.00 H new ATOM 0 HG22 THR A 12 1.726 -9.185 5.767 1.00 0.00 H new ATOM 0 HG23 THR A 12 0.566 -8.098 6.565 1.00 0.00 H new ATOM 202 N ILE A 13 0.396 -9.388 3.136 1.00 0.00 N ATOM 203 CA ILE A 13 1.149 -9.540 1.905 1.00 0.00 C ATOM 204 C ILE A 13 2.607 -9.220 2.231 1.00 0.00 C ATOM 205 O ILE A 13 2.878 -8.560 3.231 1.00 0.00 O ATOM 206 CB ILE A 13 0.565 -8.590 0.829 1.00 0.00 C ATOM 207 CG1 ILE A 13 -0.985 -8.525 0.815 1.00 0.00 C ATOM 208 CG2 ILE A 13 1.091 -8.947 -0.574 1.00 0.00 C ATOM 209 CD1 ILE A 13 -1.699 -9.865 0.591 1.00 0.00 C ATOM 0 H ILE A 13 0.243 -8.411 3.386 1.00 0.00 H new ATOM 0 HA ILE A 13 1.085 -10.552 1.504 1.00 0.00 H new ATOM 0 HB ILE A 13 0.913 -7.595 1.108 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -1.323 -8.107 1.763 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -1.295 -7.832 0.033 1.00 0.00 H new ATOM 0 HG21 ILE A 13 0.664 -8.263 -1.308 1.00 0.00 H new ATOM 0 HG22 ILE A 13 2.178 -8.861 -0.588 1.00 0.00 H new ATOM 0 HG23 ILE A 13 0.804 -9.969 -0.821 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -2.778 -9.708 0.599 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -1.400 -10.280 -0.371 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -1.427 -10.559 1.386 1.00 0.00 H new ATOM 221 N THR A 14 3.534 -9.712 1.419 1.00 0.00 N ATOM 222 CA THR A 14 4.974 -9.524 1.488 1.00 0.00 C ATOM 223 C THR A 14 5.382 -9.196 0.043 1.00 0.00 C ATOM 224 O THR A 14 5.009 -9.930 -0.876 1.00 0.00 O ATOM 225 CB THR A 14 5.643 -10.797 2.022 1.00 0.00 C ATOM 226 OG1 THR A 14 5.165 -11.075 3.323 1.00 0.00 O ATOM 227 CG2 THR A 14 7.164 -10.663 2.089 1.00 0.00 C ATOM 0 H THR A 14 3.273 -10.302 0.629 1.00 0.00 H new ATOM 0 HA THR A 14 5.282 -8.730 2.169 1.00 0.00 H new ATOM 0 HB THR A 14 5.396 -11.604 1.332 1.00 0.00 H new ATOM 0 HG1 THR A 14 5.309 -10.295 3.898 1.00 0.00 H new ATOM 0 HG21 THR A 14 7.594 -11.588 2.473 1.00 0.00 H new ATOM 0 HG22 THR A 14 7.556 -10.467 1.091 1.00 0.00 H new ATOM 0 HG23 THR A 14 7.428 -9.838 2.751 1.00 0.00 H new ATOM 235 N LEU A 15 6.036 -8.057 -0.195 1.00 0.00 N ATOM 236 CA LEU A 15 6.466 -7.630 -1.530 1.00 0.00 C ATOM 237 C LEU A 15 7.850 -7.015 -1.451 1.00 0.00 C ATOM 238 O LEU A 15 8.178 -6.428 -0.422 1.00 0.00 O ATOM 239 CB LEU A 15 5.519 -6.558 -2.101 1.00 0.00 C ATOM 240 CG LEU A 15 4.153 -7.076 -2.572 1.00 0.00 C ATOM 241 CD1 LEU A 15 3.252 -5.877 -2.871 1.00 0.00 C ATOM 242 CD2 LEU A 15 4.273 -7.972 -3.807 1.00 0.00 C ATOM 0 H LEU A 15 6.285 -7.397 0.542 1.00 0.00 H new ATOM 0 HA LEU A 15 6.461 -8.510 -2.173 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.357 -5.796 -1.339 1.00 0.00 H new ATOM 0 HB3 LEU A 15 6.013 -6.069 -2.941 1.00 0.00 H new ATOM 0 HG LEU A 15 3.721 -7.687 -1.779 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.277 -6.230 -3.207 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.130 -5.279 -1.968 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.706 -5.266 -3.652 1.00 0.00 H new ATOM 0 HD21 LEU A 15 3.282 -8.316 -4.105 1.00 0.00 H new ATOM 0 HD22 LEU A 15 4.722 -7.407 -4.624 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.900 -8.832 -3.573 1.00 0.00 H new ATOM 254 N GLU A 16 8.618 -7.124 -2.530 1.00 0.00 N ATOM 255 CA GLU A 16 9.960 -6.593 -2.699 1.00 0.00 C ATOM 256 C GLU A 16 9.769 -5.230 -3.364 1.00 0.00 C ATOM 257 O GLU A 16 9.213 -5.130 -4.462 1.00 0.00 O ATOM 258 CB GLU A 16 10.813 -7.538 -3.562 1.00 0.00 C ATOM 259 CG GLU A 16 12.258 -7.019 -3.687 1.00 0.00 C ATOM 260 CD GLU A 16 13.158 -7.868 -4.595 1.00 0.00 C ATOM 261 OE1 GLU A 16 12.854 -9.060 -4.852 1.00 0.00 O ATOM 262 OE2 GLU A 16 14.219 -7.351 -5.011 1.00 0.00 O ATOM 0 H GLU A 16 8.296 -7.618 -3.362 1.00 0.00 H new ATOM 0 HA GLU A 16 10.491 -6.498 -1.752 1.00 0.00 H new ATOM 0 HB2 GLU A 16 10.818 -8.534 -3.120 1.00 0.00 H new ATOM 0 HB3 GLU A 16 10.369 -7.631 -4.553 1.00 0.00 H new ATOM 0 HG2 GLU A 16 12.233 -5.999 -4.071 1.00 0.00 H new ATOM 0 HG3 GLU A 16 12.703 -6.975 -2.693 1.00 0.00 H new ATOM 269 N VAL A 17 10.183 -4.167 -2.684 1.00 0.00 N ATOM 270 CA VAL A 17 10.064 -2.789 -3.149 1.00 0.00 C ATOM 271 C VAL A 17 11.412 -2.083 -2.973 1.00 0.00 C ATOM 272 O VAL A 17 12.419 -2.724 -2.659 1.00 0.00 O ATOM 273 CB VAL A 17 8.883 -2.098 -2.428 1.00 0.00 C ATOM 274 CG1 VAL A 17 7.554 -2.854 -2.617 1.00 0.00 C ATOM 275 CG2 VAL A 17 9.144 -1.944 -0.926 1.00 0.00 C ATOM 0 H VAL A 17 10.624 -4.242 -1.767 1.00 0.00 H new ATOM 0 HA VAL A 17 9.830 -2.746 -4.213 1.00 0.00 H new ATOM 0 HB VAL A 17 8.799 -1.114 -2.888 1.00 0.00 H new ATOM 0 HG11 VAL A 17 6.758 -2.327 -2.091 1.00 0.00 H new ATOM 0 HG12 VAL A 17 7.314 -2.908 -3.679 1.00 0.00 H new ATOM 0 HG13 VAL A 17 7.649 -3.863 -2.215 1.00 0.00 H new ATOM 0 HG21 VAL A 17 8.291 -1.454 -0.457 1.00 0.00 H new ATOM 0 HG22 VAL A 17 9.289 -2.928 -0.479 1.00 0.00 H new ATOM 0 HG23 VAL A 17 10.038 -1.340 -0.772 1.00 0.00 H new ATOM 285 N GLU A 18 11.455 -0.771 -3.180 1.00 0.00 N ATOM 286 CA GLU A 18 12.658 0.034 -3.044 1.00 0.00 C ATOM 287 C GLU A 18 12.298 1.442 -2.543 1.00 0.00 C ATOM 288 O GLU A 18 11.131 1.834 -2.614 1.00 0.00 O ATOM 289 CB GLU A 18 13.386 0.063 -4.400 1.00 0.00 C ATOM 290 CG GLU A 18 12.542 0.686 -5.524 1.00 0.00 C ATOM 291 CD GLU A 18 13.371 1.108 -6.728 1.00 0.00 C ATOM 292 OE1 GLU A 18 13.139 0.562 -7.835 1.00 0.00 O ATOM 293 OE2 GLU A 18 14.230 2.002 -6.544 1.00 0.00 O ATOM 0 H GLU A 18 10.635 -0.228 -3.453 1.00 0.00 H new ATOM 0 HA GLU A 18 13.330 -0.401 -2.304 1.00 0.00 H new ATOM 0 HB2 GLU A 18 14.314 0.626 -4.296 1.00 0.00 H new ATOM 0 HB3 GLU A 18 13.660 -0.954 -4.680 1.00 0.00 H new ATOM 0 HG2 GLU A 18 11.787 -0.032 -5.844 1.00 0.00 H new ATOM 0 HG3 GLU A 18 12.011 1.554 -5.133 1.00 0.00 H new ATOM 300 N PRO A 19 13.256 2.249 -2.053 1.00 0.00 N ATOM 301 CA PRO A 19 12.964 3.604 -1.595 1.00 0.00 C ATOM 302 C PRO A 19 12.443 4.507 -2.715 1.00 0.00 C ATOM 303 O PRO A 19 11.752 5.482 -2.429 1.00 0.00 O ATOM 304 CB PRO A 19 14.295 4.179 -1.102 1.00 0.00 C ATOM 305 CG PRO A 19 15.123 2.942 -0.798 1.00 0.00 C ATOM 306 CD PRO A 19 14.669 1.960 -1.877 1.00 0.00 C ATOM 0 HA PRO A 19 12.191 3.564 -0.827 1.00 0.00 H new ATOM 0 HB2 PRO A 19 14.768 4.803 -1.860 1.00 0.00 H new ATOM 0 HB3 PRO A 19 14.161 4.800 -0.216 1.00 0.00 H new ATOM 0 HG2 PRO A 19 16.192 3.145 -0.860 1.00 0.00 H new ATOM 0 HG3 PRO A 19 14.928 2.561 0.204 1.00 0.00 H new ATOM 0 HD2 PRO A 19 15.223 2.104 -2.805 1.00 0.00 H new ATOM 0 HD3 PRO A 19 14.828 0.927 -1.567 1.00 0.00 H new ATOM 314 N SER A 20 12.665 4.143 -3.975 1.00 0.00 N ATOM 315 CA SER A 20 12.271 4.932 -5.126 1.00 0.00 C ATOM 316 C SER A 20 11.203 4.226 -5.962 1.00 0.00 C ATOM 317 O SER A 20 11.096 4.467 -7.165 1.00 0.00 O ATOM 318 CB SER A 20 13.562 5.293 -5.899 1.00 0.00 C ATOM 319 OG SER A 20 14.635 4.373 -5.712 1.00 0.00 O ATOM 0 H SER A 20 13.134 3.272 -4.224 1.00 0.00 H new ATOM 0 HA SER A 20 11.782 5.858 -4.823 1.00 0.00 H new ATOM 0 HB2 SER A 20 13.330 5.351 -6.962 1.00 0.00 H new ATOM 0 HB3 SER A 20 13.891 6.285 -5.590 1.00 0.00 H new ATOM 0 HG SER A 20 14.310 3.459 -5.851 1.00 0.00 H new ATOM 325 N ASP A 21 10.353 3.442 -5.299 1.00 0.00 N ATOM 326 CA ASP A 21 9.242 2.705 -5.897 1.00 0.00 C ATOM 327 C ASP A 21 8.027 3.625 -5.777 1.00 0.00 C ATOM 328 O ASP A 21 7.834 4.214 -4.701 1.00 0.00 O ATOM 329 CB ASP A 21 8.991 1.413 -5.101 1.00 0.00 C ATOM 330 CG ASP A 21 8.594 0.223 -5.950 1.00 0.00 C ATOM 331 OD1 ASP A 21 9.026 -0.907 -5.613 1.00 0.00 O ATOM 332 OD2 ASP A 21 7.814 0.354 -6.912 1.00 0.00 O ATOM 0 H ASP A 21 10.423 3.298 -4.292 1.00 0.00 H new ATOM 0 HA ASP A 21 9.446 2.431 -6.932 1.00 0.00 H new ATOM 0 HB2 ASP A 21 9.894 1.162 -4.545 1.00 0.00 H new ATOM 0 HB3 ASP A 21 8.206 1.599 -4.368 1.00 0.00 H new ATOM 337 N THR A 22 7.246 3.835 -6.839 1.00 0.00 N ATOM 338 CA THR A 22 6.084 4.708 -6.719 1.00 0.00 C ATOM 339 C THR A 22 4.982 3.969 -5.958 1.00 0.00 C ATOM 340 O THR A 22 4.904 2.734 -5.967 1.00 0.00 O ATOM 341 CB THR A 22 5.586 5.113 -8.124 1.00 0.00 C ATOM 342 OG1 THR A 22 5.318 3.976 -8.923 1.00 0.00 O ATOM 343 CG2 THR A 22 6.580 6.015 -8.860 1.00 0.00 C ATOM 0 H THR A 22 7.392 3.426 -7.762 1.00 0.00 H new ATOM 0 HA THR A 22 6.355 5.612 -6.174 1.00 0.00 H new ATOM 0 HB THR A 22 4.665 5.674 -7.964 1.00 0.00 H new ATOM 0 HG1 THR A 22 5.003 4.263 -9.806 1.00 0.00 H new ATOM 0 HG21 THR A 22 6.182 6.270 -9.842 1.00 0.00 H new ATOM 0 HG22 THR A 22 6.739 6.927 -8.285 1.00 0.00 H new ATOM 0 HG23 THR A 22 7.528 5.491 -8.978 1.00 0.00 H new ATOM 351 N ILE A 23 4.052 4.719 -5.357 1.00 0.00 N ATOM 352 CA ILE A 23 2.934 4.097 -4.652 1.00 0.00 C ATOM 353 C ILE A 23 2.099 3.340 -5.688 1.00 0.00 C ATOM 354 O ILE A 23 1.504 2.322 -5.361 1.00 0.00 O ATOM 355 CB ILE A 23 2.126 5.131 -3.846 1.00 0.00 C ATOM 356 CG1 ILE A 23 2.961 5.762 -2.710 1.00 0.00 C ATOM 357 CG2 ILE A 23 0.823 4.547 -3.268 1.00 0.00 C ATOM 358 CD1 ILE A 23 3.635 4.786 -1.738 1.00 0.00 C ATOM 0 H ILE A 23 4.052 5.739 -5.345 1.00 0.00 H new ATOM 0 HA ILE A 23 3.292 3.389 -3.905 1.00 0.00 H new ATOM 0 HB ILE A 23 1.860 5.911 -4.559 1.00 0.00 H new ATOM 0 HG12 ILE A 23 3.734 6.385 -3.160 1.00 0.00 H new ATOM 0 HG13 ILE A 23 2.312 6.423 -2.136 1.00 0.00 H new ATOM 0 HG21 ILE A 23 0.294 5.320 -2.710 1.00 0.00 H new ATOM 0 HG22 ILE A 23 0.191 4.191 -4.082 1.00 0.00 H new ATOM 0 HG23 ILE A 23 1.060 3.717 -2.603 1.00 0.00 H new ATOM 0 HD11 ILE A 23 4.191 5.347 -0.987 1.00 0.00 H new ATOM 0 HD12 ILE A 23 2.875 4.178 -1.248 1.00 0.00 H new ATOM 0 HD13 ILE A 23 4.319 4.139 -2.288 1.00 0.00 H new ATOM 370 N GLU A 24 2.058 3.826 -6.931 1.00 0.00 N ATOM 371 CA GLU A 24 1.332 3.224 -8.035 1.00 0.00 C ATOM 372 C GLU A 24 1.780 1.777 -8.229 1.00 0.00 C ATOM 373 O GLU A 24 0.934 0.889 -8.342 1.00 0.00 O ATOM 374 CB GLU A 24 1.603 4.067 -9.281 1.00 0.00 C ATOM 375 CG GLU A 24 1.033 3.459 -10.560 1.00 0.00 C ATOM 376 CD GLU A 24 1.121 4.484 -11.675 1.00 0.00 C ATOM 377 OE1 GLU A 24 0.163 5.273 -11.818 1.00 0.00 O ATOM 378 OE2 GLU A 24 2.173 4.549 -12.354 1.00 0.00 O ATOM 0 H GLU A 24 2.549 4.679 -7.198 1.00 0.00 H new ATOM 0 HA GLU A 24 0.261 3.204 -7.834 1.00 0.00 H new ATOM 0 HB2 GLU A 24 1.177 5.060 -9.138 1.00 0.00 H new ATOM 0 HB3 GLU A 24 2.679 4.195 -9.397 1.00 0.00 H new ATOM 0 HG2 GLU A 24 1.588 2.560 -10.830 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -0.003 3.159 -10.405 1.00 0.00 H new ATOM 385 N ASN A 25 3.098 1.558 -8.269 1.00 0.00 N ATOM 386 CA ASN A 25 3.704 0.246 -8.435 1.00 0.00 C ATOM 387 C ASN A 25 3.364 -0.625 -7.236 1.00 0.00 C ATOM 388 O ASN A 25 2.838 -1.724 -7.413 1.00 0.00 O ATOM 389 CB ASN A 25 5.222 0.352 -8.657 1.00 0.00 C ATOM 390 CG ASN A 25 5.562 0.473 -10.134 1.00 0.00 C ATOM 391 OD1 ASN A 25 4.992 -0.244 -10.952 1.00 0.00 O ATOM 392 ND2 ASN A 25 6.501 1.310 -10.526 1.00 0.00 N ATOM 0 H ASN A 25 3.783 2.309 -8.184 1.00 0.00 H new ATOM 0 HA ASN A 25 3.295 -0.223 -9.330 1.00 0.00 H new ATOM 0 HB2 ASN A 25 5.609 1.219 -8.121 1.00 0.00 H new ATOM 0 HB3 ASN A 25 5.714 -0.527 -8.240 1.00 0.00 H new ATOM 0 HD21 ASN A 25 6.757 1.364 -11.512 1.00 0.00 H new ATOM 0 HD22 ASN A 25 6.972 1.904 -9.844 1.00 0.00 H new ATOM 399 N VAL A 26 3.617 -0.144 -6.017 1.00 0.00 N ATOM 400 CA VAL A 26 3.322 -0.891 -4.792 1.00 0.00 C ATOM 401 C VAL A 26 1.845 -1.306 -4.761 1.00 0.00 C ATOM 402 O VAL A 26 1.513 -2.445 -4.420 1.00 0.00 O ATOM 403 CB VAL A 26 3.684 -0.036 -3.560 1.00 0.00 C ATOM 404 CG1 VAL A 26 3.346 -0.752 -2.243 1.00 0.00 C ATOM 405 CG2 VAL A 26 5.173 0.329 -3.522 1.00 0.00 C ATOM 0 H VAL A 26 4.032 0.773 -5.851 1.00 0.00 H new ATOM 0 HA VAL A 26 3.924 -1.799 -4.772 1.00 0.00 H new ATOM 0 HB VAL A 26 3.086 0.870 -3.656 1.00 0.00 H new ATOM 0 HG11 VAL A 26 3.617 -0.114 -1.402 1.00 0.00 H new ATOM 0 HG12 VAL A 26 2.277 -0.964 -2.208 1.00 0.00 H new ATOM 0 HG13 VAL A 26 3.903 -1.687 -2.184 1.00 0.00 H new ATOM 0 HG21 VAL A 26 5.378 0.931 -2.637 1.00 0.00 H new ATOM 0 HG22 VAL A 26 5.770 -0.582 -3.487 1.00 0.00 H new ATOM 0 HG23 VAL A 26 5.431 0.898 -4.415 1.00 0.00 H new ATOM 415 N LYS A 27 0.947 -0.403 -5.165 1.00 0.00 N ATOM 416 CA LYS A 27 -0.487 -0.641 -5.174 1.00 0.00 C ATOM 417 C LYS A 27 -0.882 -1.563 -6.333 1.00 0.00 C ATOM 418 O LYS A 27 -1.997 -2.068 -6.314 1.00 0.00 O ATOM 419 CB LYS A 27 -1.216 0.716 -5.192 1.00 0.00 C ATOM 420 CG LYS A 27 -2.604 0.674 -4.535 1.00 0.00 C ATOM 421 CD LYS A 27 -3.292 2.048 -4.525 1.00 0.00 C ATOM 422 CE LYS A 27 -3.644 2.450 -5.960 1.00 0.00 C ATOM 423 NZ LYS A 27 -4.603 3.567 -6.045 1.00 0.00 N ATOM 0 H LYS A 27 1.206 0.525 -5.499 1.00 0.00 H new ATOM 0 HA LYS A 27 -0.791 -1.167 -4.269 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -0.602 1.456 -4.679 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -1.321 1.049 -6.224 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -3.233 -0.040 -5.067 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -2.507 0.312 -3.511 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -4.194 2.011 -3.914 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -2.634 2.793 -4.078 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -2.730 2.727 -6.485 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -4.060 1.586 -6.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -4.795 3.785 -7.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -5.490 3.300 -5.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -4.201 4.405 -5.579 1.00 0.00 H new ATOM 437 N ALA A 28 -0.016 -1.818 -7.314 1.00 0.00 N ATOM 438 CA ALA A 28 -0.275 -2.706 -8.442 1.00 0.00 C ATOM 439 C ALA A 28 0.149 -4.118 -8.062 1.00 0.00 C ATOM 440 O ALA A 28 -0.616 -5.062 -8.226 1.00 0.00 O ATOM 441 CB ALA A 28 0.517 -2.241 -9.666 1.00 0.00 C ATOM 0 H ALA A 28 0.913 -1.398 -7.344 1.00 0.00 H new ATOM 0 HA ALA A 28 -1.337 -2.690 -8.685 1.00 0.00 H new ATOM 0 HB1 ALA A 28 0.318 -2.909 -10.504 1.00 0.00 H new ATOM 0 HB2 ALA A 28 0.216 -1.228 -9.931 1.00 0.00 H new ATOM 0 HB3 ALA A 28 1.582 -2.254 -9.437 1.00 0.00 H new ATOM 447 N LYS A 29 1.347 -4.263 -7.489 1.00 0.00 N ATOM 448 CA LYS A 29 1.902 -5.546 -7.068 1.00 0.00 C ATOM 449 C LYS A 29 0.925 -6.312 -6.170 1.00 0.00 C ATOM 450 O LYS A 29 0.795 -7.530 -6.303 1.00 0.00 O ATOM 451 CB LYS A 29 3.279 -5.325 -6.430 1.00 0.00 C ATOM 452 CG LYS A 29 4.334 -4.878 -7.456 1.00 0.00 C ATOM 453 CD LYS A 29 5.719 -4.783 -6.801 1.00 0.00 C ATOM 454 CE LYS A 29 6.741 -4.008 -7.645 1.00 0.00 C ATOM 455 NZ LYS A 29 6.970 -4.573 -8.988 1.00 0.00 N ATOM 0 H LYS A 29 1.968 -3.475 -7.303 1.00 0.00 H new ATOM 0 HA LYS A 29 2.048 -6.184 -7.939 1.00 0.00 H new ATOM 0 HB2 LYS A 29 3.197 -4.573 -5.646 1.00 0.00 H new ATOM 0 HB3 LYS A 29 3.608 -6.248 -5.953 1.00 0.00 H new ATOM 0 HG2 LYS A 29 4.366 -5.585 -8.285 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.056 -3.910 -7.873 1.00 0.00 H new ATOM 0 HD2 LYS A 29 5.621 -4.300 -5.829 1.00 0.00 H new ATOM 0 HD3 LYS A 29 6.097 -5.789 -6.620 1.00 0.00 H new ATOM 0 HE2 LYS A 29 6.402 -2.977 -7.750 1.00 0.00 H new ATOM 0 HE3 LYS A 29 7.690 -3.978 -7.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 7.671 -3.994 -9.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 7.324 -5.547 -8.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 6.076 -4.577 -9.520 1.00 0.00 H new ATOM 469 N ILE A 30 0.229 -5.627 -5.260 1.00 0.00 N ATOM 470 CA ILE A 30 -0.750 -6.249 -4.372 1.00 0.00 C ATOM 471 C ILE A 30 -1.940 -6.836 -5.161 1.00 0.00 C ATOM 472 O ILE A 30 -2.567 -7.783 -4.684 1.00 0.00 O ATOM 473 CB ILE A 30 -1.227 -5.269 -3.272 1.00 0.00 C ATOM 474 CG1 ILE A 30 -1.799 -3.973 -3.881 1.00 0.00 C ATOM 475 CG2 ILE A 30 -0.087 -4.968 -2.282 1.00 0.00 C ATOM 476 CD1 ILE A 30 -2.460 -3.023 -2.881 1.00 0.00 C ATOM 0 H ILE A 30 0.330 -4.622 -5.119 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.250 -7.079 -3.872 1.00 0.00 H new ATOM 0 HB ILE A 30 -2.035 -5.750 -2.721 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -0.993 -3.441 -4.386 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -2.531 -4.240 -4.643 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -0.442 -4.278 -1.517 1.00 0.00 H new ATOM 0 HG22 ILE A 30 0.240 -5.895 -1.811 1.00 0.00 H new ATOM 0 HG23 ILE A 30 0.750 -4.518 -2.816 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -2.830 -2.142 -3.406 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -3.292 -3.530 -2.392 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -1.730 -2.718 -2.131 1.00 0.00 H new ATOM 488 N GLN A 31 -2.258 -6.335 -6.358 1.00 0.00 N ATOM 489 CA GLN A 31 -3.377 -6.842 -7.156 1.00 0.00 C ATOM 490 C GLN A 31 -2.976 -8.160 -7.810 1.00 0.00 C ATOM 491 O GLN A 31 -3.834 -8.968 -8.160 1.00 0.00 O ATOM 492 CB GLN A 31 -3.800 -5.831 -8.232 1.00 0.00 C ATOM 493 CG GLN A 31 -4.007 -4.443 -7.623 1.00 0.00 C ATOM 494 CD GLN A 31 -4.692 -3.456 -8.558 1.00 0.00 C ATOM 495 OE1 GLN A 31 -4.090 -2.518 -9.079 1.00 0.00 O ATOM 496 NE2 GLN A 31 -5.985 -3.606 -8.764 1.00 0.00 N ATOM 0 H GLN A 31 -1.749 -5.569 -6.800 1.00 0.00 H new ATOM 0 HA GLN A 31 -4.228 -7.001 -6.494 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -3.038 -5.782 -9.010 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -4.722 -6.165 -8.709 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -4.601 -4.540 -6.714 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -3.039 -4.038 -7.329 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -6.483 -4.384 -8.332 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -6.487 -2.944 -9.356 1.00 0.00 H new ATOM 505 N ASP A 32 -1.678 -8.410 -7.989 1.00 0.00 N ATOM 506 CA ASP A 32 -1.217 -9.678 -8.560 1.00 0.00 C ATOM 507 C ASP A 32 -1.347 -10.758 -7.476 1.00 0.00 C ATOM 508 O ASP A 32 -1.891 -11.833 -7.746 1.00 0.00 O ATOM 509 CB ASP A 32 0.234 -9.563 -9.062 1.00 0.00 C ATOM 510 CG ASP A 32 1.067 -10.836 -8.846 1.00 0.00 C ATOM 511 OD1 ASP A 32 0.760 -11.889 -9.449 1.00 0.00 O ATOM 512 OD2 ASP A 32 2.053 -10.767 -8.083 1.00 0.00 O ATOM 0 H ASP A 32 -0.932 -7.757 -7.749 1.00 0.00 H new ATOM 0 HA ASP A 32 -1.826 -9.944 -9.424 1.00 0.00 H new ATOM 0 HB2 ASP A 32 0.223 -9.323 -10.125 1.00 0.00 H new ATOM 0 HB3 ASP A 32 0.720 -8.731 -8.553 1.00 0.00 H new ATOM 517 N LYS A 33 -1.027 -10.428 -6.217 1.00 0.00 N ATOM 518 CA LYS A 33 -1.077 -11.401 -5.121 1.00 0.00 C ATOM 519 C LYS A 33 -2.434 -11.556 -4.435 1.00 0.00 C ATOM 520 O LYS A 33 -2.629 -12.566 -3.755 1.00 0.00 O ATOM 521 CB LYS A 33 -0.005 -11.045 -4.079 1.00 0.00 C ATOM 522 CG LYS A 33 1.418 -11.316 -4.591 1.00 0.00 C ATOM 523 CD LYS A 33 2.425 -11.180 -3.441 1.00 0.00 C ATOM 524 CE LYS A 33 3.849 -11.612 -3.818 1.00 0.00 C ATOM 525 NZ LYS A 33 3.918 -13.034 -4.214 1.00 0.00 N ATOM 0 H LYS A 33 -0.731 -9.494 -5.934 1.00 0.00 H new ATOM 0 HA LYS A 33 -0.886 -12.369 -5.584 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -0.098 -9.993 -3.810 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -0.178 -11.622 -3.171 1.00 0.00 H new ATOM 0 HG2 LYS A 33 1.475 -12.317 -5.019 1.00 0.00 H new ATOM 0 HG3 LYS A 33 1.666 -10.615 -5.388 1.00 0.00 H new ATOM 0 HD2 LYS A 33 2.445 -10.142 -3.107 1.00 0.00 H new ATOM 0 HD3 LYS A 33 2.084 -11.780 -2.597 1.00 0.00 H new ATOM 0 HE2 LYS A 33 4.209 -10.991 -4.638 1.00 0.00 H new ATOM 0 HE3 LYS A 33 4.514 -11.440 -2.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 4.913 -13.333 -4.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 3.416 -13.615 -3.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 3.474 -13.157 -5.147 1.00 0.00 H new ATOM 539 N GLU A 34 -3.371 -10.620 -4.564 1.00 0.00 N ATOM 540 CA GLU A 34 -4.689 -10.716 -3.936 1.00 0.00 C ATOM 541 C GLU A 34 -5.721 -10.153 -4.913 1.00 0.00 C ATOM 542 O GLU A 34 -5.400 -9.259 -5.698 1.00 0.00 O ATOM 543 CB GLU A 34 -4.658 -9.921 -2.615 1.00 0.00 C ATOM 544 CG GLU A 34 -5.798 -10.235 -1.633 1.00 0.00 C ATOM 545 CD GLU A 34 -5.557 -11.544 -0.876 1.00 0.00 C ATOM 546 OE1 GLU A 34 -4.533 -11.675 -0.171 1.00 0.00 O ATOM 547 OE2 GLU A 34 -6.377 -12.477 -0.998 1.00 0.00 O ATOM 0 H GLU A 34 -3.238 -9.769 -5.110 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.956 -11.747 -3.706 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -3.708 -10.113 -2.117 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -4.685 -8.857 -2.850 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -5.898 -9.417 -0.920 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -6.739 -10.299 -2.179 1.00 0.00 H new ATOM 554 N GLY A 35 -6.961 -10.641 -4.861 1.00 0.00 N ATOM 555 CA GLY A 35 -8.030 -10.191 -5.740 1.00 0.00 C ATOM 556 C GLY A 35 -8.637 -8.903 -5.215 1.00 0.00 C ATOM 557 O GLY A 35 -9.673 -8.944 -4.548 1.00 0.00 O ATOM 0 H GLY A 35 -7.249 -11.364 -4.202 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -7.641 -10.034 -6.746 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -8.799 -10.960 -5.812 1.00 0.00 H new ATOM 561 N ILE A 36 -7.995 -7.771 -5.507 1.00 0.00 N ATOM 562 CA ILE A 36 -8.425 -6.443 -5.087 1.00 0.00 C ATOM 563 C ILE A 36 -8.295 -5.461 -6.270 1.00 0.00 C ATOM 564 O ILE A 36 -7.178 -5.140 -6.678 1.00 0.00 O ATOM 565 CB ILE A 36 -7.666 -6.002 -3.806 1.00 0.00 C ATOM 566 CG1 ILE A 36 -6.126 -6.171 -3.899 1.00 0.00 C ATOM 567 CG2 ILE A 36 -8.223 -6.794 -2.602 1.00 0.00 C ATOM 568 CD1 ILE A 36 -5.355 -5.641 -2.688 1.00 0.00 C ATOM 0 H ILE A 36 -7.137 -7.756 -6.058 1.00 0.00 H new ATOM 0 HA ILE A 36 -9.479 -6.454 -4.808 1.00 0.00 H new ATOM 0 HB ILE A 36 -7.835 -4.932 -3.681 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -5.896 -7.229 -4.025 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -5.770 -5.659 -4.793 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -7.698 -6.494 -1.695 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -9.287 -6.587 -2.491 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -8.077 -7.861 -2.769 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -4.287 -5.800 -2.838 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -5.550 -4.575 -2.571 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -5.678 -6.170 -1.791 1.00 0.00 H new ATOM 580 N PRO A 37 -9.403 -5.001 -6.880 1.00 0.00 N ATOM 581 CA PRO A 37 -9.377 -4.058 -7.989 1.00 0.00 C ATOM 582 C PRO A 37 -9.138 -2.641 -7.437 1.00 0.00 C ATOM 583 O PRO A 37 -9.212 -2.447 -6.219 1.00 0.00 O ATOM 584 CB PRO A 37 -10.767 -4.170 -8.623 1.00 0.00 C ATOM 585 CG PRO A 37 -11.663 -4.433 -7.417 1.00 0.00 C ATOM 586 CD PRO A 37 -10.777 -5.296 -6.523 1.00 0.00 C ATOM 0 HA PRO A 37 -8.588 -4.263 -8.713 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -11.049 -3.256 -9.146 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -10.817 -4.981 -9.350 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -11.958 -3.508 -6.922 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -12.580 -4.950 -7.699 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -10.958 -5.075 -5.471 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -10.995 -6.354 -6.669 1.00 0.00 H new ATOM 594 N PRO A 38 -8.860 -1.627 -8.275 1.00 0.00 N ATOM 595 CA PRO A 38 -8.653 -0.249 -7.835 1.00 0.00 C ATOM 596 C PRO A 38 -10.016 0.411 -7.539 1.00 0.00 C ATOM 597 O PRO A 38 -10.365 1.456 -8.086 1.00 0.00 O ATOM 598 CB PRO A 38 -7.878 0.437 -8.978 1.00 0.00 C ATOM 599 CG PRO A 38 -7.772 -0.595 -10.098 1.00 0.00 C ATOM 600 CD PRO A 38 -8.733 -1.714 -9.714 1.00 0.00 C ATOM 0 HA PRO A 38 -8.084 -0.172 -6.908 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -8.399 1.331 -9.320 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -6.890 0.752 -8.644 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -8.042 -0.159 -11.060 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -6.752 -0.969 -10.192 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -9.699 -1.589 -10.203 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -8.346 -2.687 -10.017 1.00 0.00 H new ATOM 608 N ASP A 39 -10.800 -0.187 -6.649 1.00 0.00 N ATOM 609 CA ASP A 39 -12.121 0.237 -6.206 1.00 0.00 C ATOM 610 C ASP A 39 -12.193 -0.185 -4.747 1.00 0.00 C ATOM 611 O ASP A 39 -11.787 -1.302 -4.417 1.00 0.00 O ATOM 612 CB ASP A 39 -13.216 -0.426 -7.049 1.00 0.00 C ATOM 613 CG ASP A 39 -14.638 -0.012 -6.655 1.00 0.00 C ATOM 614 OD1 ASP A 39 -14.831 0.927 -5.848 1.00 0.00 O ATOM 615 OD2 ASP A 39 -15.581 -0.630 -7.191 1.00 0.00 O ATOM 0 H ASP A 39 -10.505 -1.046 -6.184 1.00 0.00 H new ATOM 0 HA ASP A 39 -12.277 1.310 -6.319 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -13.053 -0.179 -8.098 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -13.125 -1.508 -6.959 1.00 0.00 H new ATOM 620 N GLN A 40 -12.688 0.703 -3.886 1.00 0.00 N ATOM 621 CA GLN A 40 -12.806 0.529 -2.440 1.00 0.00 C ATOM 622 C GLN A 40 -11.448 0.133 -1.869 1.00 0.00 C ATOM 623 O GLN A 40 -11.344 -0.791 -1.060 1.00 0.00 O ATOM 624 CB GLN A 40 -13.912 -0.483 -2.067 1.00 0.00 C ATOM 625 CG GLN A 40 -15.301 -0.179 -2.637 1.00 0.00 C ATOM 626 CD GLN A 40 -15.667 1.298 -2.536 1.00 0.00 C ATOM 627 OE1 GLN A 40 -15.495 1.955 -1.515 1.00 0.00 O ATOM 628 NE2 GLN A 40 -16.114 1.899 -3.621 1.00 0.00 N ATOM 0 H GLN A 40 -13.036 1.611 -4.195 1.00 0.00 H new ATOM 0 HA GLN A 40 -13.110 1.476 -1.995 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -13.606 -1.472 -2.409 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -13.986 -0.530 -0.981 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -15.336 -0.487 -3.682 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -16.045 -0.771 -2.105 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -16.261 1.364 -4.477 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -16.313 2.899 -3.605 1.00 0.00 H new ATOM 637 N ASN A 41 -10.403 0.875 -2.252 1.00 0.00 N ATOM 638 CA ASN A 41 -9.060 0.610 -1.781 1.00 0.00 C ATOM 639 C ASN A 41 -8.193 1.865 -1.823 1.00 0.00 C ATOM 640 O ASN A 41 -8.273 2.629 -2.783 1.00 0.00 O ATOM 641 CB ASN A 41 -8.408 -0.487 -2.642 1.00 0.00 C ATOM 642 CG ASN A 41 -8.750 -1.915 -2.212 1.00 0.00 C ATOM 643 OD1 ASN A 41 -8.156 -2.437 -1.268 1.00 0.00 O ATOM 644 ND2 ASN A 41 -9.700 -2.572 -2.857 1.00 0.00 N ATOM 0 H ASN A 41 -10.474 1.667 -2.891 1.00 0.00 H new ATOM 0 HA ASN A 41 -9.133 0.278 -0.745 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -8.716 -0.349 -3.679 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -7.326 -0.361 -2.611 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -9.947 -3.520 -2.574 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -10.186 -2.130 -3.638 1.00 0.00 H new ATOM 651 N ARG A 42 -7.372 2.082 -0.793 1.00 0.00 N ATOM 652 CA ARG A 42 -6.425 3.181 -0.617 1.00 0.00 C ATOM 653 C ARG A 42 -5.367 2.654 0.348 1.00 0.00 C ATOM 654 O ARG A 42 -5.709 2.067 1.378 1.00 0.00 O ATOM 655 CB ARG A 42 -7.094 4.460 -0.071 1.00 0.00 C ATOM 656 CG ARG A 42 -6.054 5.575 0.149 1.00 0.00 C ATOM 657 CD ARG A 42 -6.626 6.880 0.711 1.00 0.00 C ATOM 658 NE ARG A 42 -7.318 7.703 -0.293 1.00 0.00 N ATOM 659 CZ ARG A 42 -6.752 8.594 -1.120 1.00 0.00 C ATOM 660 NH1 ARG A 42 -5.432 8.658 -1.241 1.00 0.00 N ATOM 661 NH2 ARG A 42 -7.507 9.432 -1.822 1.00 0.00 N ATOM 0 H ARG A 42 -7.352 1.442 0.001 1.00 0.00 H new ATOM 0 HA ARG A 42 -5.996 3.478 -1.574 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -7.857 4.802 -0.770 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -7.599 4.238 0.869 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -5.286 5.208 0.830 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -5.563 5.788 -0.801 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -7.321 6.644 1.517 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -5.816 7.462 1.149 1.00 0.00 H new ATOM 0 HE ARG A 42 -8.328 7.584 -0.367 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -4.839 8.026 -0.703 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -5.010 9.339 -1.873 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -8.523 9.400 -1.733 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -7.071 10.108 -2.450 1.00 0.00 H new ATOM 675 N LEU A 43 -4.095 2.900 0.046 1.00 0.00 N ATOM 676 CA LEU A 43 -2.961 2.465 0.849 1.00 0.00 C ATOM 677 C LEU A 43 -2.687 3.540 1.906 1.00 0.00 C ATOM 678 O LEU A 43 -2.743 4.734 1.614 1.00 0.00 O ATOM 679 CB LEU A 43 -1.771 2.272 -0.110 1.00 0.00 C ATOM 680 CG LEU A 43 -0.536 1.594 0.510 1.00 0.00 C ATOM 681 CD1 LEU A 43 -0.768 0.108 0.808 1.00 0.00 C ATOM 682 CD2 LEU A 43 0.636 1.722 -0.471 1.00 0.00 C ATOM 0 H LEU A 43 -3.820 3.421 -0.786 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.146 1.525 1.369 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -2.103 1.678 -0.961 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -1.475 3.247 -0.498 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.324 2.091 1.457 1.00 0.00 H new ATOM 0 HD11 LEU A 43 0.134 -0.321 1.244 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.595 0.002 1.510 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.008 -0.416 -0.117 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.520 1.246 -0.046 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.378 1.235 -1.411 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.844 2.776 -0.654 1.00 0.00 H new ATOM 694 N ILE A 44 -2.373 3.129 3.134 1.00 0.00 N ATOM 695 CA ILE A 44 -2.102 3.988 4.286 1.00 0.00 C ATOM 696 C ILE A 44 -0.834 3.474 4.975 1.00 0.00 C ATOM 697 O ILE A 44 -0.622 2.262 5.044 1.00 0.00 O ATOM 698 CB ILE A 44 -3.296 3.917 5.282 1.00 0.00 C ATOM 699 CG1 ILE A 44 -4.715 3.882 4.666 1.00 0.00 C ATOM 700 CG2 ILE A 44 -3.228 5.031 6.345 1.00 0.00 C ATOM 701 CD1 ILE A 44 -5.204 5.171 3.996 1.00 0.00 C ATOM 0 H ILE A 44 -2.297 2.138 3.364 1.00 0.00 H new ATOM 0 HA ILE A 44 -1.969 5.021 3.964 1.00 0.00 H new ATOM 0 HB ILE A 44 -3.157 2.937 5.740 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -4.746 3.081 3.927 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -5.422 3.618 5.453 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -4.080 4.943 7.019 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -2.304 4.934 6.915 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -3.252 6.004 5.854 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -6.210 5.019 3.604 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -5.218 5.979 4.728 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -4.532 5.434 3.179 1.00 0.00 H new ATOM 713 N PHE A 45 -0.008 4.368 5.519 1.00 0.00 N ATOM 714 CA PHE A 45 1.220 4.022 6.233 1.00 0.00 C ATOM 715 C PHE A 45 1.305 4.927 7.448 1.00 0.00 C ATOM 716 O PHE A 45 1.232 6.144 7.288 1.00 0.00 O ATOM 717 CB PHE A 45 2.461 4.216 5.360 1.00 0.00 C ATOM 718 CG PHE A 45 3.764 4.111 6.135 1.00 0.00 C ATOM 719 CD1 PHE A 45 4.199 2.875 6.653 1.00 0.00 C ATOM 720 CD2 PHE A 45 4.515 5.273 6.397 1.00 0.00 C ATOM 721 CE1 PHE A 45 5.391 2.806 7.394 1.00 0.00 C ATOM 722 CE2 PHE A 45 5.719 5.197 7.118 1.00 0.00 C ATOM 723 CZ PHE A 45 6.161 3.959 7.610 1.00 0.00 C ATOM 0 H PHE A 45 -0.178 5.373 5.474 1.00 0.00 H new ATOM 0 HA PHE A 45 1.190 2.970 6.516 1.00 0.00 H new ATOM 0 HB2 PHE A 45 2.458 3.470 4.565 1.00 0.00 H new ATOM 0 HB3 PHE A 45 2.410 5.193 4.880 1.00 0.00 H new ATOM 0 HD1 PHE A 45 3.617 1.982 6.481 1.00 0.00 H new ATOM 0 HD2 PHE A 45 4.163 6.230 6.041 1.00 0.00 H new ATOM 0 HE1 PHE A 45 5.717 1.860 7.800 1.00 0.00 H new ATOM 0 HE2 PHE A 45 6.303 6.089 7.293 1.00 0.00 H new ATOM 0 HZ PHE A 45 7.092 3.894 8.154 1.00 0.00 H new ATOM 733 N ALA A 46 1.437 4.348 8.647 1.00 0.00 N ATOM 734 CA ALA A 46 1.537 5.093 9.906 1.00 0.00 C ATOM 735 C ALA A 46 0.437 6.167 10.019 1.00 0.00 C ATOM 736 O ALA A 46 0.684 7.312 10.413 1.00 0.00 O ATOM 737 CB ALA A 46 2.959 5.652 10.041 1.00 0.00 C ATOM 0 H ALA A 46 1.478 3.336 8.771 1.00 0.00 H new ATOM 0 HA ALA A 46 1.361 4.424 10.749 1.00 0.00 H new ATOM 0 HB1 ALA A 46 3.044 6.208 10.975 1.00 0.00 H new ATOM 0 HB2 ALA A 46 3.675 4.830 10.042 1.00 0.00 H new ATOM 0 HB3 ALA A 46 3.170 6.316 9.203 1.00 0.00 H new ATOM 743 N GLY A 47 -0.771 5.820 9.566 1.00 0.00 N ATOM 744 CA GLY A 47 -1.947 6.677 9.580 1.00 0.00 C ATOM 745 C GLY A 47 -1.999 7.679 8.425 1.00 0.00 C ATOM 746 O GLY A 47 -3.069 8.229 8.171 1.00 0.00 O ATOM 0 H GLY A 47 -0.958 4.900 9.166 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -2.840 6.052 9.546 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -1.975 7.223 10.523 1.00 0.00 H new ATOM 750 N LYS A 48 -0.893 7.944 7.726 1.00 0.00 N ATOM 751 CA LYS A 48 -0.841 8.893 6.622 1.00 0.00 C ATOM 752 C LYS A 48 -1.418 8.219 5.391 1.00 0.00 C ATOM 753 O LYS A 48 -1.058 7.083 5.072 1.00 0.00 O ATOM 754 CB LYS A 48 0.602 9.375 6.402 1.00 0.00 C ATOM 755 CG LYS A 48 0.719 10.383 5.242 1.00 0.00 C ATOM 756 CD LYS A 48 1.893 11.352 5.428 1.00 0.00 C ATOM 757 CE LYS A 48 1.542 12.414 6.481 1.00 0.00 C ATOM 758 NZ LYS A 48 2.733 13.151 6.930 1.00 0.00 N ATOM 0 H LYS A 48 0.003 7.496 7.918 1.00 0.00 H new ATOM 0 HA LYS A 48 -1.434 9.780 6.845 1.00 0.00 H new ATOM 0 HB2 LYS A 48 0.971 9.836 7.318 1.00 0.00 H new ATOM 0 HB3 LYS A 48 1.241 8.516 6.198 1.00 0.00 H new ATOM 0 HG2 LYS A 48 0.843 9.841 4.304 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -0.208 10.950 5.162 1.00 0.00 H new ATOM 0 HD2 LYS A 48 2.782 10.803 5.737 1.00 0.00 H new ATOM 0 HD3 LYS A 48 2.130 11.834 4.480 1.00 0.00 H new ATOM 0 HE2 LYS A 48 0.817 13.113 6.065 1.00 0.00 H new ATOM 0 HE3 LYS A 48 1.067 11.934 7.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 2.456 13.859 7.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 3.414 12.487 7.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 3.172 13.629 6.118 1.00 0.00 H new ATOM 772 N GLN A 49 -2.361 8.897 4.747 1.00 0.00 N ATOM 773 CA GLN A 49 -3.016 8.403 3.549 1.00 0.00 C ATOM 774 C GLN A 49 -2.006 8.537 2.407 1.00 0.00 C ATOM 775 O GLN A 49 -1.337 9.566 2.306 1.00 0.00 O ATOM 776 CB GLN A 49 -4.284 9.222 3.260 1.00 0.00 C ATOM 777 CG GLN A 49 -5.372 9.154 4.353 1.00 0.00 C ATOM 778 CD GLN A 49 -5.256 10.243 5.422 1.00 0.00 C ATOM 779 OE1 GLN A 49 -5.099 11.420 5.106 1.00 0.00 O ATOM 780 NE2 GLN A 49 -5.327 9.909 6.698 1.00 0.00 N ATOM 0 H GLN A 49 -2.693 9.813 5.047 1.00 0.00 H new ATOM 0 HA GLN A 49 -3.325 7.364 3.667 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -3.999 10.264 3.117 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -4.714 8.877 2.320 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -6.351 9.228 3.880 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -5.324 8.179 4.837 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -5.457 8.933 6.963 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -5.252 10.627 7.418 1.00 0.00 H new ATOM 789 N LEU A 50 -1.892 7.512 1.562 1.00 0.00 N ATOM 790 CA LEU A 50 -0.974 7.452 0.429 1.00 0.00 C ATOM 791 C LEU A 50 -1.748 7.302 -0.875 1.00 0.00 C ATOM 792 O LEU A 50 -2.905 6.864 -0.877 1.00 0.00 O ATOM 793 CB LEU A 50 -0.004 6.261 0.540 1.00 0.00 C ATOM 794 CG LEU A 50 0.682 6.021 1.895 1.00 0.00 C ATOM 795 CD1 LEU A 50 1.598 4.804 1.750 1.00 0.00 C ATOM 796 CD2 LEU A 50 1.520 7.210 2.364 1.00 0.00 C ATOM 0 H LEU A 50 -2.459 6.669 1.653 1.00 0.00 H new ATOM 0 HA LEU A 50 -0.406 8.382 0.437 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -0.552 5.356 0.277 1.00 0.00 H new ATOM 0 HB3 LEU A 50 0.775 6.392 -0.212 1.00 0.00 H new ATOM 0 HG LEU A 50 -0.098 5.867 2.640 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.099 4.610 2.699 1.00 0.00 H new ATOM 0 HD12 LEU A 50 1.005 3.934 1.468 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.344 5.000 0.979 1.00 0.00 H new ATOM 0 HD21 LEU A 50 1.977 6.976 3.326 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.301 7.416 1.632 1.00 0.00 H new ATOM 0 HD23 LEU A 50 0.881 8.087 2.469 1.00 0.00 H new ATOM 808 N GLU A 51 -1.132 7.721 -1.975 1.00 0.00 N ATOM 809 CA GLU A 51 -1.651 7.645 -3.332 1.00 0.00 C ATOM 810 C GLU A 51 -0.469 7.764 -4.297 1.00 0.00 C ATOM 811 O GLU A 51 0.667 8.010 -3.874 1.00 0.00 O ATOM 812 CB GLU A 51 -2.770 8.666 -3.583 1.00 0.00 C ATOM 813 CG GLU A 51 -2.476 10.095 -3.110 1.00 0.00 C ATOM 814 CD GLU A 51 -3.676 11.029 -3.285 1.00 0.00 C ATOM 815 OE1 GLU A 51 -3.427 12.231 -3.529 1.00 0.00 O ATOM 816 OE2 GLU A 51 -4.832 10.557 -3.129 1.00 0.00 O ATOM 0 H GLU A 51 -0.206 8.146 -1.939 1.00 0.00 H new ATOM 0 HA GLU A 51 -2.135 6.683 -3.500 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -2.982 8.692 -4.652 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -3.675 8.316 -3.087 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -2.186 10.074 -2.059 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -1.627 10.491 -3.667 1.00 0.00 H new ATOM 823 N ASP A 52 -0.760 7.634 -5.589 1.00 0.00 N ATOM 824 CA ASP A 52 0.178 7.665 -6.701 1.00 0.00 C ATOM 825 C ASP A 52 0.733 9.054 -6.975 1.00 0.00 C ATOM 826 O ASP A 52 0.231 10.072 -6.495 1.00 0.00 O ATOM 827 CB ASP A 52 -0.474 7.111 -7.978 1.00 0.00 C ATOM 828 CG ASP A 52 -1.573 8.014 -8.537 1.00 0.00 C ATOM 829 OD1 ASP A 52 -2.729 7.871 -8.068 1.00 0.00 O ATOM 830 OD2 ASP A 52 -1.302 8.805 -9.466 1.00 0.00 O ATOM 0 H ASP A 52 -1.720 7.495 -5.904 1.00 0.00 H new ATOM 0 HA ASP A 52 1.016 7.032 -6.407 1.00 0.00 H new ATOM 0 HB2 ASP A 52 0.294 6.972 -8.739 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -0.894 6.128 -7.766 1.00 0.00 H new ATOM 835 N GLY A 53 1.855 9.049 -7.689 1.00 0.00 N ATOM 836 CA GLY A 53 2.627 10.210 -8.090 1.00 0.00 C ATOM 837 C GLY A 53 3.870 10.343 -7.218 1.00 0.00 C ATOM 838 O GLY A 53 4.858 10.929 -7.667 1.00 0.00 O ATOM 0 H GLY A 53 2.271 8.179 -8.021 1.00 0.00 H new ATOM 0 HA2 GLY A 53 2.916 10.119 -9.137 1.00 0.00 H new ATOM 0 HA3 GLY A 53 2.016 11.109 -8.005 1.00 0.00 H new ATOM 842 N ARG A 54 3.812 9.842 -5.976 1.00 0.00 N ATOM 843 CA ARG A 54 4.915 9.880 -5.019 1.00 0.00 C ATOM 844 C ARG A 54 5.529 8.504 -4.814 1.00 0.00 C ATOM 845 O ARG A 54 4.934 7.501 -5.220 1.00 0.00 O ATOM 846 CB ARG A 54 4.479 10.607 -3.740 1.00 0.00 C ATOM 847 CG ARG A 54 4.427 12.101 -4.065 1.00 0.00 C ATOM 848 CD ARG A 54 4.284 13.000 -2.846 1.00 0.00 C ATOM 849 NE ARG A 54 3.554 14.221 -3.203 1.00 0.00 N ATOM 850 CZ ARG A 54 3.381 15.266 -2.400 1.00 0.00 C ATOM 851 NH1 ARG A 54 2.827 16.371 -2.879 1.00 0.00 N ATOM 852 NH2 ARG A 54 3.808 15.217 -1.145 1.00 0.00 N ATOM 0 H ARG A 54 2.976 9.390 -5.605 1.00 0.00 H new ATOM 0 HA ARG A 54 5.737 10.471 -5.424 1.00 0.00 H new ATOM 0 HB2 ARG A 54 3.504 10.251 -3.409 1.00 0.00 H new ATOM 0 HB3 ARG A 54 5.181 10.414 -2.929 1.00 0.00 H new ATOM 0 HG2 ARG A 54 5.335 12.377 -4.601 1.00 0.00 H new ATOM 0 HG3 ARG A 54 3.590 12.286 -4.739 1.00 0.00 H new ATOM 0 HD2 ARG A 54 3.756 12.470 -2.053 1.00 0.00 H new ATOM 0 HD3 ARG A 54 5.269 13.257 -2.456 1.00 0.00 H new ATOM 0 HE ARG A 54 3.149 14.272 -4.138 1.00 0.00 H new ATOM 0 HH11 ARG A 54 2.538 16.414 -3.856 1.00 0.00 H new ATOM 0 HH12 ARG A 54 2.690 17.178 -2.270 1.00 0.00 H new ATOM 0 HH21 ARG A 54 4.269 14.377 -0.796 1.00 0.00 H new ATOM 0 HH22 ARG A 54 3.675 16.019 -0.529 1.00 0.00 H new ATOM 866 N THR A 55 6.673 8.466 -4.136 1.00 0.00 N ATOM 867 CA THR A 55 7.439 7.262 -3.863 1.00 0.00 C ATOM 868 C THR A 55 7.660 7.047 -2.367 1.00 0.00 C ATOM 869 O THR A 55 7.344 7.915 -1.546 1.00 0.00 O ATOM 870 CB THR A 55 8.789 7.386 -4.603 1.00 0.00 C ATOM 871 OG1 THR A 55 9.596 8.429 -4.073 1.00 0.00 O ATOM 872 CG2 THR A 55 8.635 7.612 -6.109 1.00 0.00 C ATOM 0 H THR A 55 7.104 9.306 -3.749 1.00 0.00 H new ATOM 0 HA THR A 55 6.883 6.393 -4.216 1.00 0.00 H new ATOM 0 HB THR A 55 9.277 6.424 -4.445 1.00 0.00 H new ATOM 0 HG1 THR A 55 9.185 9.295 -4.276 1.00 0.00 H new ATOM 0 HG21 THR A 55 9.621 7.690 -6.568 1.00 0.00 H new ATOM 0 HG22 THR A 55 8.095 6.774 -6.549 1.00 0.00 H new ATOM 0 HG23 THR A 55 8.079 8.533 -6.284 1.00 0.00 H new ATOM 880 N LEU A 56 8.194 5.877 -1.998 1.00 0.00 N ATOM 881 CA LEU A 56 8.501 5.537 -0.609 1.00 0.00 C ATOM 882 C LEU A 56 9.360 6.626 0.033 1.00 0.00 C ATOM 883 O LEU A 56 9.125 6.972 1.186 1.00 0.00 O ATOM 884 CB LEU A 56 9.174 4.164 -0.454 1.00 0.00 C ATOM 885 CG LEU A 56 8.168 3.000 -0.452 1.00 0.00 C ATOM 886 CD1 LEU A 56 7.686 2.683 -1.864 1.00 0.00 C ATOM 887 CD2 LEU A 56 8.796 1.745 0.149 1.00 0.00 C ATOM 0 H LEU A 56 8.426 5.137 -2.661 1.00 0.00 H new ATOM 0 HA LEU A 56 7.545 5.474 -0.090 1.00 0.00 H new ATOM 0 HB2 LEU A 56 9.886 4.020 -1.267 1.00 0.00 H new ATOM 0 HB3 LEU A 56 9.743 4.147 0.475 1.00 0.00 H new ATOM 0 HG LEU A 56 7.317 3.311 0.154 1.00 0.00 H new ATOM 0 HD11 LEU A 56 6.976 1.856 -1.829 1.00 0.00 H new ATOM 0 HD12 LEU A 56 7.199 3.561 -2.288 1.00 0.00 H new ATOM 0 HD13 LEU A 56 8.537 2.405 -2.485 1.00 0.00 H new ATOM 0 HD21 LEU A 56 8.068 0.934 0.141 1.00 0.00 H new ATOM 0 HD22 LEU A 56 9.667 1.456 -0.439 1.00 0.00 H new ATOM 0 HD23 LEU A 56 9.102 1.947 1.175 1.00 0.00 H new ATOM 899 N SER A 57 10.348 7.151 -0.694 1.00 0.00 N ATOM 900 CA SER A 57 11.271 8.187 -0.257 1.00 0.00 C ATOM 901 C SER A 57 10.509 9.451 0.152 1.00 0.00 C ATOM 902 O SER A 57 10.782 10.007 1.219 1.00 0.00 O ATOM 903 CB SER A 57 12.259 8.450 -1.410 1.00 0.00 C ATOM 904 OG SER A 57 13.310 9.336 -1.078 1.00 0.00 O ATOM 0 H SER A 57 10.531 6.846 -1.650 1.00 0.00 H new ATOM 0 HA SER A 57 11.825 7.867 0.625 1.00 0.00 H new ATOM 0 HB2 SER A 57 12.687 7.500 -1.732 1.00 0.00 H new ATOM 0 HB3 SER A 57 11.710 8.856 -2.259 1.00 0.00 H new ATOM 0 HG SER A 57 13.896 9.454 -1.855 1.00 0.00 H new ATOM 910 N ASP A 58 9.530 9.891 -0.647 1.00 0.00 N ATOM 911 CA ASP A 58 8.729 11.089 -0.373 1.00 0.00 C ATOM 912 C ASP A 58 7.969 10.905 0.933 1.00 0.00 C ATOM 913 O ASP A 58 8.035 11.747 1.832 1.00 0.00 O ATOM 914 CB ASP A 58 7.706 11.350 -1.486 1.00 0.00 C ATOM 915 CG ASP A 58 8.354 11.629 -2.829 1.00 0.00 C ATOM 916 OD1 ASP A 58 8.375 10.697 -3.660 1.00 0.00 O ATOM 917 OD2 ASP A 58 8.819 12.775 -3.039 1.00 0.00 O ATOM 0 H ASP A 58 9.269 9.419 -1.513 1.00 0.00 H new ATOM 0 HA ASP A 58 9.413 11.936 -0.313 1.00 0.00 H new ATOM 0 HB2 ASP A 58 7.048 10.486 -1.578 1.00 0.00 H new ATOM 0 HB3 ASP A 58 7.081 12.198 -1.207 1.00 0.00 H new ATOM 922 N TYR A 59 7.330 9.747 1.089 1.00 0.00 N ATOM 923 CA TYR A 59 6.554 9.427 2.274 1.00 0.00 C ATOM 924 C TYR A 59 7.432 8.928 3.435 1.00 0.00 C ATOM 925 O TYR A 59 6.907 8.729 4.533 1.00 0.00 O ATOM 926 CB TYR A 59 5.477 8.405 1.887 1.00 0.00 C ATOM 927 CG TYR A 59 4.380 8.938 0.978 1.00 0.00 C ATOM 928 CD1 TYR A 59 3.446 9.873 1.469 1.00 0.00 C ATOM 929 CD2 TYR A 59 4.236 8.443 -0.333 1.00 0.00 C ATOM 930 CE1 TYR A 59 2.355 10.275 0.677 1.00 0.00 C ATOM 931 CE2 TYR A 59 3.158 8.860 -1.136 1.00 0.00 C ATOM 932 CZ TYR A 59 2.201 9.766 -0.634 1.00 0.00 C ATOM 933 OH TYR A 59 1.127 10.131 -1.393 1.00 0.00 O ATOM 0 H TYR A 59 7.339 9.004 0.390 1.00 0.00 H new ATOM 0 HA TYR A 59 6.079 10.335 2.644 1.00 0.00 H new ATOM 0 HB2 TYR A 59 5.959 7.561 1.393 1.00 0.00 H new ATOM 0 HB3 TYR A 59 5.018 8.021 2.798 1.00 0.00 H new ATOM 0 HD1 TYR A 59 3.569 10.284 2.460 1.00 0.00 H new ATOM 0 HD2 TYR A 59 4.957 7.740 -0.724 1.00 0.00 H new ATOM 0 HE1 TYR A 59 1.633 10.974 1.071 1.00 0.00 H new ATOM 0 HE2 TYR A 59 3.063 8.483 -2.144 1.00 0.00 H new ATOM 0 HH TYR A 59 1.118 9.606 -2.221 1.00 0.00 H new ATOM 943 N ASN A 60 8.754 8.813 3.258 1.00 0.00 N ATOM 944 CA ASN A 60 9.751 8.350 4.232 1.00 0.00 C ATOM 945 C ASN A 60 9.378 6.966 4.799 1.00 0.00 C ATOM 946 O ASN A 60 9.431 6.720 6.007 1.00 0.00 O ATOM 947 CB ASN A 60 9.985 9.434 5.304 1.00 0.00 C ATOM 948 CG ASN A 60 11.068 9.071 6.316 1.00 0.00 C ATOM 949 OD1 ASN A 60 12.057 8.422 5.998 1.00 0.00 O ATOM 950 ND2 ASN A 60 10.921 9.499 7.557 1.00 0.00 N ATOM 0 H ASN A 60 9.186 9.058 2.367 1.00 0.00 H new ATOM 0 HA ASN A 60 10.709 8.200 3.734 1.00 0.00 H new ATOM 0 HB2 ASN A 60 10.258 10.367 4.811 1.00 0.00 H new ATOM 0 HB3 ASN A 60 9.050 9.616 5.835 1.00 0.00 H new ATOM 0 HD21 ASN A 60 11.633 9.290 8.256 1.00 0.00 H new ATOM 0 HD22 ASN A 60 10.095 10.039 7.816 1.00 0.00 H new ATOM 957 N ILE A 61 9.007 6.039 3.916 1.00 0.00 N ATOM 958 CA ILE A 61 8.618 4.666 4.237 1.00 0.00 C ATOM 959 C ILE A 61 9.906 3.839 4.258 1.00 0.00 C ATOM 960 O ILE A 61 10.663 3.858 3.284 1.00 0.00 O ATOM 961 CB ILE A 61 7.587 4.151 3.201 1.00 0.00 C ATOM 962 CG1 ILE A 61 6.321 5.039 3.214 1.00 0.00 C ATOM 963 CG2 ILE A 61 7.207 2.684 3.476 1.00 0.00 C ATOM 964 CD1 ILE A 61 5.287 4.724 2.128 1.00 0.00 C ATOM 0 H ILE A 61 8.968 6.233 2.915 1.00 0.00 H new ATOM 0 HA ILE A 61 8.127 4.593 5.208 1.00 0.00 H new ATOM 0 HB ILE A 61 8.048 4.204 2.215 1.00 0.00 H new ATOM 0 HG12 ILE A 61 5.841 4.944 4.188 1.00 0.00 H new ATOM 0 HG13 ILE A 61 6.627 6.080 3.110 1.00 0.00 H new ATOM 0 HG21 ILE A 61 6.482 2.350 2.733 1.00 0.00 H new ATOM 0 HG22 ILE A 61 8.099 2.060 3.418 1.00 0.00 H new ATOM 0 HG23 ILE A 61 6.770 2.602 4.471 1.00 0.00 H new ATOM 0 HD11 ILE A 61 4.439 5.402 2.225 1.00 0.00 H new ATOM 0 HD12 ILE A 61 5.742 4.850 1.145 1.00 0.00 H new ATOM 0 HD13 ILE A 61 4.943 3.696 2.240 1.00 0.00 H new ATOM 976 N GLN A 62 10.192 3.157 5.369 1.00 0.00 N ATOM 977 CA GLN A 62 11.392 2.331 5.517 1.00 0.00 C ATOM 978 C GLN A 62 11.123 0.870 5.165 1.00 0.00 C ATOM 979 O GLN A 62 9.986 0.485 4.885 1.00 0.00 O ATOM 980 CB GLN A 62 11.953 2.460 6.948 1.00 0.00 C ATOM 981 CG GLN A 62 12.333 3.902 7.304 1.00 0.00 C ATOM 982 CD GLN A 62 13.187 4.554 6.215 1.00 0.00 C ATOM 983 OE1 GLN A 62 14.174 3.994 5.736 1.00 0.00 O ATOM 984 NE2 GLN A 62 12.807 5.736 5.766 1.00 0.00 N ATOM 0 H GLN A 62 9.594 3.162 6.196 1.00 0.00 H new ATOM 0 HA GLN A 62 12.139 2.697 4.812 1.00 0.00 H new ATOM 0 HB2 GLN A 62 11.211 2.097 7.659 1.00 0.00 H new ATOM 0 HB3 GLN A 62 12.830 1.821 7.049 1.00 0.00 H new ATOM 0 HG2 GLN A 62 11.427 4.489 7.455 1.00 0.00 H new ATOM 0 HG3 GLN A 62 12.879 3.911 8.247 1.00 0.00 H new ATOM 0 HE21 GLN A 62 11.989 6.195 6.167 1.00 0.00 H new ATOM 0 HE22 GLN A 62 13.332 6.190 5.018 1.00 0.00 H new ATOM 993 N LYS A 63 12.194 0.069 5.119 1.00 0.00 N ATOM 994 CA LYS A 63 12.107 -1.354 4.819 1.00 0.00 C ATOM 995 C LYS A 63 11.372 -2.056 5.950 1.00 0.00 C ATOM 996 O LYS A 63 11.321 -1.551 7.077 1.00 0.00 O ATOM 997 CB LYS A 63 13.487 -1.971 4.548 1.00 0.00 C ATOM 998 CG LYS A 63 14.326 -2.236 5.806 1.00 0.00 C ATOM 999 CD LYS A 63 15.674 -2.840 5.411 1.00 0.00 C ATOM 1000 CE LYS A 63 16.518 -3.066 6.665 1.00 0.00 C ATOM 1001 NZ LYS A 63 17.959 -3.155 6.364 1.00 0.00 N ATOM 0 H LYS A 63 13.145 0.396 5.290 1.00 0.00 H new ATOM 0 HA LYS A 63 11.541 -1.489 3.897 1.00 0.00 H new ATOM 0 HB2 LYS A 63 13.352 -2.911 4.013 1.00 0.00 H new ATOM 0 HB3 LYS A 63 14.045 -1.306 3.889 1.00 0.00 H new ATOM 0 HG2 LYS A 63 14.480 -1.307 6.354 1.00 0.00 H new ATOM 0 HG3 LYS A 63 13.794 -2.915 6.473 1.00 0.00 H new ATOM 0 HD2 LYS A 63 15.522 -3.784 4.887 1.00 0.00 H new ATOM 0 HD3 LYS A 63 16.196 -2.174 4.724 1.00 0.00 H new ATOM 0 HE2 LYS A 63 16.346 -2.250 7.367 1.00 0.00 H new ATOM 0 HE3 LYS A 63 16.195 -3.984 7.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 18.489 -3.308 7.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 18.130 -3.949 5.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 18.276 -2.270 5.919 1.00 0.00 H new ATOM 1015 N GLU A 64 10.807 -3.212 5.637 1.00 0.00 N ATOM 1016 CA GLU A 64 10.053 -4.058 6.535 1.00 0.00 C ATOM 1017 C GLU A 64 8.973 -3.249 7.261 1.00 0.00 C ATOM 1018 O GLU A 64 8.804 -3.353 8.476 1.00 0.00 O ATOM 1019 CB GLU A 64 11.002 -4.870 7.434 1.00 0.00 C ATOM 1020 CG GLU A 64 11.655 -6.048 6.690 1.00 0.00 C ATOM 1021 CD GLU A 64 12.862 -5.666 5.824 1.00 0.00 C ATOM 1022 OE1 GLU A 64 12.704 -5.287 4.642 1.00 0.00 O ATOM 1023 OE2 GLU A 64 14.008 -5.890 6.277 1.00 0.00 O ATOM 0 H GLU A 64 10.869 -3.602 4.697 1.00 0.00 H new ATOM 0 HA GLU A 64 9.497 -4.809 5.974 1.00 0.00 H new ATOM 0 HB2 GLU A 64 11.781 -4.213 7.822 1.00 0.00 H new ATOM 0 HB3 GLU A 64 10.448 -5.249 8.293 1.00 0.00 H new ATOM 0 HG2 GLU A 64 11.970 -6.793 7.421 1.00 0.00 H new ATOM 0 HG3 GLU A 64 10.905 -6.521 6.056 1.00 0.00 H new ATOM 1030 N SER A 65 8.289 -2.358 6.540 1.00 0.00 N ATOM 1031 CA SER A 65 7.206 -1.543 7.070 1.00 0.00 C ATOM 1032 C SER A 65 5.909 -2.355 6.941 1.00 0.00 C ATOM 1033 O SER A 65 5.864 -3.347 6.212 1.00 0.00 O ATOM 1034 CB SER A 65 7.138 -0.202 6.328 1.00 0.00 C ATOM 1035 OG SER A 65 7.462 -0.321 4.960 1.00 0.00 O ATOM 0 H SER A 65 8.480 -2.183 5.553 1.00 0.00 H new ATOM 0 HA SER A 65 7.369 -1.301 8.120 1.00 0.00 H new ATOM 0 HB2 SER A 65 6.134 0.212 6.425 1.00 0.00 H new ATOM 0 HB3 SER A 65 7.821 0.505 6.799 1.00 0.00 H new ATOM 0 HG SER A 65 8.434 -0.261 4.848 1.00 0.00 H new ATOM 1041 N THR A 66 4.858 -1.965 7.658 1.00 0.00 N ATOM 1042 CA THR A 66 3.559 -2.617 7.635 1.00 0.00 C ATOM 1043 C THR A 66 2.536 -1.532 7.324 1.00 0.00 C ATOM 1044 O THR A 66 2.248 -0.659 8.143 1.00 0.00 O ATOM 1045 CB THR A 66 3.325 -3.387 8.940 1.00 0.00 C ATOM 1046 OG1 THR A 66 4.147 -4.539 9.002 1.00 0.00 O ATOM 1047 CG2 THR A 66 1.889 -3.887 9.014 1.00 0.00 C ATOM 0 H THR A 66 4.892 -1.163 8.288 1.00 0.00 H new ATOM 0 HA THR A 66 3.478 -3.383 6.864 1.00 0.00 H new ATOM 0 HB THR A 66 3.551 -2.700 9.755 1.00 0.00 H new ATOM 0 HG1 THR A 66 3.982 -5.014 9.843 1.00 0.00 H new ATOM 0 HG21 THR A 66 1.741 -4.431 9.947 1.00 0.00 H new ATOM 0 HG22 THR A 66 1.206 -3.038 8.977 1.00 0.00 H new ATOM 0 HG23 THR A 66 1.691 -4.550 8.172 1.00 0.00 H new ATOM 1055 N LEU A 67 2.036 -1.569 6.094 1.00 0.00 N ATOM 1056 CA LEU A 67 1.058 -0.643 5.565 1.00 0.00 C ATOM 1057 C LEU A 67 -0.325 -1.286 5.662 1.00 0.00 C ATOM 1058 O LEU A 67 -0.456 -2.502 5.827 1.00 0.00 O ATOM 1059 CB LEU A 67 1.404 -0.316 4.098 1.00 0.00 C ATOM 1060 CG LEU A 67 2.718 0.466 3.878 1.00 0.00 C ATOM 1061 CD1 LEU A 67 3.997 -0.363 4.068 1.00 0.00 C ATOM 1062 CD2 LEU A 67 2.734 1.041 2.462 1.00 0.00 C ATOM 0 H LEU A 67 2.317 -2.277 5.415 1.00 0.00 H new ATOM 0 HA LEU A 67 1.063 0.285 6.136 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.461 -1.251 3.540 1.00 0.00 H new ATOM 0 HB3 LEU A 67 0.584 0.260 3.670 1.00 0.00 H new ATOM 0 HG LEU A 67 2.727 1.242 4.643 1.00 0.00 H new ATOM 0 HD11 LEU A 67 4.869 0.268 3.894 1.00 0.00 H new ATOM 0 HD12 LEU A 67 4.030 -0.754 5.085 1.00 0.00 H new ATOM 0 HD13 LEU A 67 4.002 -1.192 3.360 1.00 0.00 H new ATOM 0 HD21 LEU A 67 3.660 1.593 2.304 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.668 0.228 1.739 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.885 1.712 2.332 1.00 0.00 H new ATOM 1074 N HIS A 68 -1.370 -0.471 5.592 1.00 0.00 N ATOM 1075 CA HIS A 68 -2.756 -0.920 5.633 1.00 0.00 C ATOM 1076 C HIS A 68 -3.452 -0.517 4.340 1.00 0.00 C ATOM 1077 O HIS A 68 -3.051 0.441 3.678 1.00 0.00 O ATOM 1078 CB HIS A 68 -3.491 -0.319 6.836 1.00 0.00 C ATOM 1079 CG HIS A 68 -3.363 -1.132 8.096 1.00 0.00 C ATOM 1080 ND1 HIS A 68 -2.542 -0.848 9.160 1.00 0.00 N ATOM 1081 CD2 HIS A 68 -4.162 -2.185 8.456 1.00 0.00 C ATOM 1082 CE1 HIS A 68 -2.869 -1.686 10.156 1.00 0.00 C ATOM 1083 NE2 HIS A 68 -3.824 -2.546 9.764 1.00 0.00 N ATOM 0 H HIS A 68 -1.276 0.541 5.503 1.00 0.00 H new ATOM 0 HA HIS A 68 -2.772 -2.005 5.737 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -3.106 0.684 7.021 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -4.547 -0.214 6.589 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -4.917 -2.652 7.841 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -2.424 -1.671 11.140 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -4.223 -3.309 10.311 1.00 0.00 H new ATOM 1091 N LEU A 69 -4.508 -1.245 3.992 1.00 0.00 N ATOM 1092 CA LEU A 69 -5.341 -1.014 2.823 1.00 0.00 C ATOM 1093 C LEU A 69 -6.734 -0.836 3.436 1.00 0.00 C ATOM 1094 O LEU A 69 -7.160 -1.736 4.169 1.00 0.00 O ATOM 1095 CB LEU A 69 -5.194 -2.238 1.897 1.00 0.00 C ATOM 1096 CG LEU A 69 -3.947 -2.184 1.001 1.00 0.00 C ATOM 1097 CD1 LEU A 69 -3.645 -3.589 0.465 1.00 0.00 C ATOM 1098 CD2 LEU A 69 -4.121 -1.217 -0.178 1.00 0.00 C ATOM 0 H LEU A 69 -4.818 -2.046 4.542 1.00 0.00 H new ATOM 0 HA LEU A 69 -5.093 -0.153 2.202 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -5.155 -3.141 2.506 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -6.081 -2.316 1.268 1.00 0.00 H new ATOM 0 HG LEU A 69 -3.119 -1.819 1.609 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -2.761 -3.553 -0.171 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -3.464 -4.266 1.300 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -4.495 -3.948 -0.115 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -3.214 -1.213 -0.782 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -4.964 -1.538 -0.790 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.309 -0.212 0.200 1.00 0.00 H new ATOM 1110 N VAL A 70 -7.429 0.283 3.197 1.00 0.00 N ATOM 1111 CA VAL A 70 -8.758 0.564 3.763 1.00 0.00 C ATOM 1112 C VAL A 70 -9.725 1.277 2.793 1.00 0.00 C ATOM 1113 O VAL A 70 -9.304 1.760 1.735 1.00 0.00 O ATOM 1114 CB VAL A 70 -8.565 1.426 5.037 1.00 0.00 C ATOM 1115 CG1 VAL A 70 -7.616 0.812 6.079 1.00 0.00 C ATOM 1116 CG2 VAL A 70 -8.067 2.840 4.706 1.00 0.00 C ATOM 0 H VAL A 70 -7.081 1.030 2.597 1.00 0.00 H new ATOM 0 HA VAL A 70 -9.224 -0.396 3.985 1.00 0.00 H new ATOM 0 HB VAL A 70 -9.562 1.468 5.476 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -7.538 1.479 6.937 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -8.007 -0.152 6.403 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -6.630 0.673 5.636 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -7.946 3.408 5.628 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -7.109 2.777 4.190 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -8.792 3.340 4.064 1.00 0.00 H new ATOM 1126 N LEU A 71 -11.020 1.361 3.157 1.00 0.00 N ATOM 1127 CA LEU A 71 -12.057 2.056 2.377 1.00 0.00 C ATOM 1128 C LEU A 71 -13.053 2.788 3.284 1.00 0.00 C ATOM 1129 O LEU A 71 -12.890 2.795 4.509 1.00 0.00 O ATOM 1130 CB LEU A 71 -12.794 1.037 1.487 1.00 0.00 C ATOM 1131 CG LEU A 71 -13.674 0.031 2.274 1.00 0.00 C ATOM 1132 CD1 LEU A 71 -15.151 0.113 1.865 1.00 0.00 C ATOM 1133 CD2 LEU A 71 -13.158 -1.396 2.094 1.00 0.00 C ATOM 0 H LEU A 71 -11.378 0.941 4.015 1.00 0.00 H new ATOM 0 HA LEU A 71 -11.572 2.808 1.754 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -13.422 1.577 0.779 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -12.060 0.482 0.903 1.00 0.00 H new ATOM 0 HG LEU A 71 -13.606 0.305 3.327 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -15.729 -0.609 2.442 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -15.527 1.117 2.060 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -15.247 -0.111 0.803 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -13.790 -2.085 2.655 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -13.181 -1.661 1.037 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -12.134 -1.462 2.462 1.00 0.00 H new