USER MOD reduce.3.24.130724 H: found=0, std=0, add=663, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 665 hydrogens (39 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 26 THR OG1 : rot 180:sc= 0.706 USER MOD Set 1.2: A 29 SER OG : rot 76:sc= 0.972 USER MOD Single : A 1 ALA N :NH3+ 141:sc= 0.0295 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.62 USER MOD Single : A 8 LYS NZ :NH3+ -145:sc= -1.56 (180deg=-3.31!) USER MOD Single : A 10 SER OG : rot 172:sc= -0.587 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ -144:sc= -0.993 (180deg=-2.38!) USER MOD Single : A 32 SER OG : rot 180:sc= -0.0395 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 31:sc= 0.725 USER MOD Single : A 46 MET CE :methyl -154:sc= -0.254 (180deg=-1.48!) USER MOD Single : A 47 ASN : amide:sc= -2.01 X(o=-2,f=-2.5) USER MOD Single : A 55 ASN : amide:sc= -1.1! C(o=-1.1!,f=-2!) USER MOD Single : A 60 LYS NZ :NH3+ -109:sc= -2.51 (180deg=-4.34!) USER MOD Single : A 62 GLN : amide:sc= -0.169 K(o=-0.17,f=-0.72) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.453 USER MOD Single : A 68 GLN :FLIP amide:sc= -2.67! C(o=-8.1!,f=-2.7!) USER MOD Single : A 69 GLN : amide:sc= -2.99! C(o=-3!,f=-13!) USER MOD Single : A 80 LYS NZ :NH3+ -161:sc= -0.0597 (180deg=-0.531) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 PNS O33 : rot 108:sc= -0.0586 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -10.128 -7.790 1.378 1.00 1.00 N ATOM 2 CA ALA A 1 -9.411 -7.709 0.074 1.00 1.00 C ATOM 3 C ALA A 1 -8.993 -9.111 -0.359 1.00 1.00 C ATOM 4 O ALA A 1 -8.586 -9.929 0.464 1.00 1.00 O ATOM 5 CB ALA A 1 -8.177 -6.813 0.228 1.00 1.00 C ATOM 0 H1 ALA A 1 -9.852 -6.985 1.976 1.00 1.00 H new ATOM 0 H2 ALA A 1 -11.154 -7.763 1.212 1.00 1.00 H new ATOM 0 H3 ALA A 1 -9.878 -8.679 1.857 1.00 1.00 H new ATOM 0 HA ALA A 1 -10.067 -7.283 -0.685 1.00 1.00 H new ATOM 0 HB1 ALA A 1 -7.651 -6.752 -0.724 1.00 1.00 H new ATOM 0 HB2 ALA A 1 -8.488 -5.815 0.535 1.00 1.00 H new ATOM 0 HB3 ALA A 1 -7.513 -7.234 0.983 1.00 1.00 H new ATOM 13 N LYS A 2 -9.092 -9.381 -1.656 1.00 1.00 N ATOM 14 CA LYS A 2 -8.715 -10.687 -2.182 1.00 1.00 C ATOM 15 C LYS A 2 -7.195 -10.825 -2.191 1.00 1.00 C ATOM 16 O LYS A 2 -6.467 -9.841 -2.070 1.00 1.00 O ATOM 17 CB LYS A 2 -9.256 -10.845 -3.614 1.00 1.00 C ATOM 18 CG LYS A 2 -9.228 -9.474 -4.329 1.00 1.00 C ATOM 19 CD LYS A 2 -10.572 -8.746 -4.137 1.00 1.00 C ATOM 20 CE LYS A 2 -11.567 -9.210 -5.203 1.00 1.00 C ATOM 21 NZ LYS A 2 -12.855 -8.495 -5.018 1.00 1.00 N ATOM 0 H LYS A 2 -9.427 -8.720 -2.357 1.00 1.00 H new ATOM 0 HA LYS A 2 -9.141 -11.463 -1.546 1.00 1.00 H new ATOM 0 HB2 LYS A 2 -8.653 -11.567 -4.165 1.00 1.00 H new ATOM 0 HB3 LYS A 2 -10.274 -11.234 -3.589 1.00 1.00 H new ATOM 0 HG2 LYS A 2 -8.416 -8.865 -3.931 1.00 1.00 H new ATOM 0 HG3 LYS A 2 -9.031 -9.614 -5.392 1.00 1.00 H new ATOM 0 HD2 LYS A 2 -10.968 -8.950 -3.142 1.00 1.00 H new ATOM 0 HD3 LYS A 2 -10.426 -7.668 -4.207 1.00 1.00 H new ATOM 0 HE2 LYS A 2 -11.169 -9.013 -6.198 1.00 1.00 H new ATOM 0 HE3 LYS A 2 -11.722 -10.286 -5.128 1.00 1.00 H new ATOM 0 HZ1 LYS A 2 -13.533 -8.809 -5.741 1.00 1.00 H new ATOM 0 HZ2 LYS A 2 -13.235 -8.704 -4.073 1.00 1.00 H new ATOM 0 HZ3 LYS A 2 -12.700 -7.471 -5.110 1.00 1.00 H new ATOM 35 N LYS A 3 -6.736 -12.055 -2.339 1.00 1.00 N ATOM 36 CA LYS A 3 -5.311 -12.337 -2.371 1.00 1.00 C ATOM 37 C LYS A 3 -4.665 -11.710 -3.603 1.00 1.00 C ATOM 38 O LYS A 3 -3.441 -11.613 -3.694 1.00 1.00 O ATOM 39 CB LYS A 3 -5.080 -13.860 -2.369 1.00 1.00 C ATOM 40 CG LYS A 3 -6.226 -14.579 -3.089 1.00 1.00 C ATOM 41 CD LYS A 3 -6.387 -14.023 -4.509 1.00 1.00 C ATOM 42 CE LYS A 3 -7.131 -15.026 -5.380 1.00 1.00 C ATOM 43 NZ LYS A 3 -7.341 -14.440 -6.732 1.00 1.00 N ATOM 0 H LYS A 3 -7.331 -12.877 -2.439 1.00 1.00 H new ATOM 0 HA LYS A 3 -4.850 -11.903 -1.484 1.00 1.00 H new ATOM 0 HB2 LYS A 3 -4.134 -14.091 -2.859 1.00 1.00 H new ATOM 0 HB3 LYS A 3 -5.004 -14.221 -1.343 1.00 1.00 H new ATOM 0 HG2 LYS A 3 -6.025 -15.650 -3.130 1.00 1.00 H new ATOM 0 HG3 LYS A 3 -7.154 -14.450 -2.532 1.00 1.00 H new ATOM 0 HD2 LYS A 3 -6.932 -13.080 -4.479 1.00 1.00 H new ATOM 0 HD3 LYS A 3 -5.408 -13.812 -4.939 1.00 1.00 H new ATOM 0 HE2 LYS A 3 -6.561 -15.952 -5.457 1.00 1.00 H new ATOM 0 HE3 LYS A 3 -8.090 -15.278 -4.927 1.00 1.00 H new ATOM 0 HZ1 LYS A 3 -7.849 -15.122 -7.331 1.00 1.00 H new ATOM 0 HZ2 LYS A 3 -7.901 -13.568 -6.649 1.00 1.00 H new ATOM 0 HZ3 LYS A 3 -6.420 -14.221 -7.162 1.00 1.00 H new ATOM 57 N GLU A 4 -5.493 -11.298 -4.549 1.00 1.00 N ATOM 58 CA GLU A 4 -4.994 -10.695 -5.773 1.00 1.00 C ATOM 59 C GLU A 4 -4.585 -9.248 -5.530 1.00 1.00 C ATOM 60 O GLU A 4 -3.512 -8.818 -5.949 1.00 1.00 O ATOM 61 CB GLU A 4 -6.069 -10.744 -6.864 1.00 1.00 C ATOM 62 CG GLU A 4 -5.497 -10.206 -8.180 1.00 1.00 C ATOM 63 CD GLU A 4 -6.564 -10.240 -9.266 1.00 1.00 C ATOM 64 OE1 GLU A 4 -7.721 -10.417 -8.927 1.00 1.00 O ATOM 65 OE2 GLU A 4 -6.209 -10.081 -10.423 1.00 1.00 O ATOM 0 H GLU A 4 -6.509 -11.370 -4.493 1.00 1.00 H new ATOM 0 HA GLU A 4 -4.121 -11.260 -6.099 1.00 1.00 H new ATOM 0 HB2 GLU A 4 -6.416 -11.768 -6.999 1.00 1.00 H new ATOM 0 HB3 GLU A 4 -6.933 -10.152 -6.563 1.00 1.00 H new ATOM 0 HG2 GLU A 4 -5.141 -9.185 -8.041 1.00 1.00 H new ATOM 0 HG3 GLU A 4 -4.638 -10.804 -8.484 1.00 1.00 H new ATOM 72 N THR A 5 -5.452 -8.505 -4.849 1.00 1.00 N ATOM 73 CA THR A 5 -5.184 -7.102 -4.553 1.00 1.00 C ATOM 74 C THR A 5 -3.925 -6.963 -3.708 1.00 1.00 C ATOM 75 O THR A 5 -3.121 -6.057 -3.921 1.00 1.00 O ATOM 76 CB THR A 5 -6.372 -6.479 -3.815 1.00 1.00 C ATOM 77 OG1 THR A 5 -7.572 -6.795 -4.503 1.00 1.00 O ATOM 78 CG2 THR A 5 -6.211 -4.961 -3.763 1.00 1.00 C ATOM 0 H THR A 5 -6.343 -8.850 -4.493 1.00 1.00 H new ATOM 0 HA THR A 5 -5.034 -6.577 -5.497 1.00 1.00 H new ATOM 0 HB THR A 5 -6.411 -6.875 -2.800 1.00 1.00 H new ATOM 0 HG1 THR A 5 -8.334 -6.398 -4.031 1.00 1.00 H new ATOM 0 HG21 THR A 5 -7.059 -4.523 -3.237 1.00 1.00 H new ATOM 0 HG22 THR A 5 -5.289 -4.711 -3.238 1.00 1.00 H new ATOM 0 HG23 THR A 5 -6.169 -4.565 -4.777 1.00 1.00 H new ATOM 86 N ILE A 6 -3.766 -7.857 -2.744 1.00 1.00 N ATOM 87 CA ILE A 6 -2.609 -7.816 -1.862 1.00 1.00 C ATOM 88 C ILE A 6 -1.322 -7.951 -2.672 1.00 1.00 C ATOM 89 O ILE A 6 -0.338 -7.261 -2.409 1.00 1.00 O ATOM 90 CB ILE A 6 -2.687 -8.960 -0.845 1.00 1.00 C ATOM 91 CG1 ILE A 6 -3.881 -8.731 0.090 1.00 1.00 C ATOM 92 CG2 ILE A 6 -1.396 -9.003 -0.013 1.00 1.00 C ATOM 93 CD1 ILE A 6 -4.103 -9.971 0.967 1.00 1.00 C ATOM 0 H ILE A 6 -4.420 -8.616 -2.553 1.00 1.00 H new ATOM 0 HA ILE A 6 -2.606 -6.860 -1.338 1.00 1.00 H new ATOM 0 HB ILE A 6 -2.810 -9.904 -1.376 1.00 1.00 H new ATOM 0 HG12 ILE A 6 -3.700 -7.858 0.718 1.00 1.00 H new ATOM 0 HG13 ILE A 6 -4.777 -8.523 -0.495 1.00 1.00 H new ATOM 0 HG21 ILE A 6 -1.455 -9.818 0.709 1.00 1.00 H new ATOM 0 HG22 ILE A 6 -0.543 -9.164 -0.673 1.00 1.00 H new ATOM 0 HG23 ILE A 6 -1.272 -8.058 0.516 1.00 1.00 H new ATOM 0 HD11 ILE A 6 -4.952 -9.801 1.629 1.00 1.00 H new ATOM 0 HD12 ILE A 6 -4.304 -10.834 0.332 1.00 1.00 H new ATOM 0 HD13 ILE A 6 -3.210 -10.159 1.564 1.00 1.00 H new ATOM 105 N ASP A 7 -1.334 -8.851 -3.649 1.00 1.00 N ATOM 106 CA ASP A 7 -0.160 -9.070 -4.480 1.00 1.00 C ATOM 107 C ASP A 7 0.213 -7.799 -5.234 1.00 1.00 C ATOM 108 O ASP A 7 1.390 -7.462 -5.355 1.00 1.00 O ATOM 109 CB ASP A 7 -0.431 -10.193 -5.482 1.00 1.00 C ATOM 110 CG ASP A 7 0.874 -10.636 -6.137 1.00 1.00 C ATOM 111 OD1 ASP A 7 1.747 -11.098 -5.419 1.00 1.00 O ATOM 112 OD2 ASP A 7 0.982 -10.507 -7.345 1.00 1.00 O ATOM 0 H ASP A 7 -2.137 -9.435 -3.882 1.00 1.00 H new ATOM 0 HA ASP A 7 0.669 -9.351 -3.831 1.00 1.00 H new ATOM 0 HB2 ASP A 7 -0.898 -11.038 -4.976 1.00 1.00 H new ATOM 0 HB3 ASP A 7 -1.132 -9.850 -6.244 1.00 1.00 H new ATOM 117 N LYS A 8 -0.793 -7.100 -5.746 1.00 1.00 N ATOM 118 CA LYS A 8 -0.545 -5.874 -6.492 1.00 1.00 C ATOM 119 C LYS A 8 0.116 -4.818 -5.619 1.00 1.00 C ATOM 120 O LYS A 8 1.112 -4.214 -6.011 1.00 1.00 O ATOM 121 CB LYS A 8 -1.858 -5.323 -7.029 1.00 1.00 C ATOM 122 CG LYS A 8 -2.602 -6.416 -7.838 1.00 1.00 C ATOM 123 CD LYS A 8 -3.286 -5.801 -9.062 1.00 1.00 C ATOM 124 CE LYS A 8 -4.309 -4.767 -8.599 1.00 1.00 C ATOM 125 NZ LYS A 8 -5.204 -5.374 -7.574 1.00 1.00 N ATOM 0 H LYS A 8 -1.776 -7.357 -5.660 1.00 1.00 H new ATOM 0 HA LYS A 8 0.127 -6.115 -7.316 1.00 1.00 H new ATOM 0 HB2 LYS A 8 -2.483 -4.982 -6.204 1.00 1.00 H new ATOM 0 HB3 LYS A 8 -1.666 -4.457 -7.663 1.00 1.00 H new ATOM 0 HG2 LYS A 8 -1.898 -7.185 -8.155 1.00 1.00 H new ATOM 0 HG3 LYS A 8 -3.344 -6.904 -7.206 1.00 1.00 H new ATOM 0 HD2 LYS A 8 -2.545 -5.332 -9.710 1.00 1.00 H new ATOM 0 HD3 LYS A 8 -3.776 -6.578 -9.648 1.00 1.00 H new ATOM 0 HE2 LYS A 8 -3.800 -3.898 -8.183 1.00 1.00 H new ATOM 0 HE3 LYS A 8 -4.896 -4.416 -9.448 1.00 1.00 H new ATOM 0 HZ1 LYS A 8 -6.164 -4.988 -7.679 1.00 1.00 H new ATOM 0 HZ2 LYS A 8 -5.230 -6.406 -7.703 1.00 1.00 H new ATOM 0 HZ3 LYS A 8 -4.844 -5.152 -6.624 1.00 1.00 H new ATOM 139 N VAL A 9 -0.442 -4.600 -4.436 1.00 1.00 N ATOM 140 CA VAL A 9 0.109 -3.613 -3.524 1.00 1.00 C ATOM 141 C VAL A 9 1.500 -4.035 -3.061 1.00 1.00 C ATOM 142 O VAL A 9 2.429 -3.235 -3.051 1.00 1.00 O ATOM 143 CB VAL A 9 -0.813 -3.451 -2.313 1.00 1.00 C ATOM 144 CG1 VAL A 9 -0.253 -2.381 -1.372 1.00 1.00 C ATOM 145 CG2 VAL A 9 -2.207 -3.034 -2.781 1.00 1.00 C ATOM 0 H VAL A 9 -1.268 -5.089 -4.090 1.00 1.00 H new ATOM 0 HA VAL A 9 0.187 -2.660 -4.047 1.00 1.00 H new ATOM 0 HB VAL A 9 -0.875 -4.402 -1.783 1.00 1.00 H new ATOM 0 HG11 VAL A 9 -0.914 -2.271 -0.512 1.00 1.00 H new ATOM 0 HG12 VAL A 9 0.739 -2.679 -1.032 1.00 1.00 H new ATOM 0 HG13 VAL A 9 -0.185 -1.431 -1.901 1.00 1.00 H new ATOM 0 HG21 VAL A 9 -2.862 -2.919 -1.917 1.00 1.00 H new ATOM 0 HG22 VAL A 9 -2.143 -2.087 -3.316 1.00 1.00 H new ATOM 0 HG23 VAL A 9 -2.612 -3.798 -3.444 1.00 1.00 H new ATOM 155 N SER A 10 1.637 -5.299 -2.678 1.00 1.00 N ATOM 156 CA SER A 10 2.919 -5.811 -2.212 1.00 1.00 C ATOM 157 C SER A 10 3.959 -5.743 -3.323 1.00 1.00 C ATOM 158 O SER A 10 5.135 -5.475 -3.072 1.00 1.00 O ATOM 159 CB SER A 10 2.765 -7.255 -1.741 1.00 1.00 C ATOM 160 OG SER A 10 2.295 -8.051 -2.818 1.00 1.00 O ATOM 0 H SER A 10 0.881 -5.984 -2.681 1.00 1.00 H new ATOM 0 HA SER A 10 3.254 -5.193 -1.379 1.00 1.00 H new ATOM 0 HB2 SER A 10 3.721 -7.636 -1.382 1.00 1.00 H new ATOM 0 HB3 SER A 10 2.067 -7.305 -0.905 1.00 1.00 H new ATOM 0 HG SER A 10 2.317 -8.996 -2.560 1.00 1.00 H new ATOM 166 N ASP A 11 3.519 -5.986 -4.554 1.00 1.00 N ATOM 167 CA ASP A 11 4.421 -5.948 -5.698 1.00 1.00 C ATOM 168 C ASP A 11 4.993 -4.548 -5.885 1.00 1.00 C ATOM 169 O ASP A 11 6.178 -4.380 -6.141 1.00 1.00 O ATOM 170 CB ASP A 11 3.676 -6.371 -6.964 1.00 1.00 C ATOM 171 CG ASP A 11 3.420 -7.875 -6.946 1.00 1.00 C ATOM 172 OD1 ASP A 11 3.979 -8.544 -6.091 1.00 1.00 O ATOM 173 OD2 ASP A 11 2.665 -8.337 -7.786 1.00 1.00 O ATOM 0 H ASP A 11 2.551 -6.210 -4.783 1.00 1.00 H new ATOM 0 HA ASP A 11 5.242 -6.640 -5.512 1.00 1.00 H new ATOM 0 HB2 ASP A 11 2.730 -5.834 -7.035 1.00 1.00 H new ATOM 0 HB3 ASP A 11 4.260 -6.105 -7.845 1.00 1.00 H new ATOM 178 N ILE A 12 4.141 -3.544 -5.763 1.00 1.00 N ATOM 179 CA ILE A 12 4.581 -2.165 -5.916 1.00 1.00 C ATOM 180 C ILE A 12 5.410 -1.724 -4.716 1.00 1.00 C ATOM 181 O ILE A 12 6.427 -1.047 -4.863 1.00 1.00 O ATOM 182 CB ILE A 12 3.366 -1.250 -6.056 1.00 1.00 C ATOM 183 CG1 ILE A 12 2.504 -1.719 -7.244 1.00 1.00 C ATOM 184 CG2 ILE A 12 3.835 0.189 -6.300 1.00 1.00 C ATOM 185 CD1 ILE A 12 1.081 -1.184 -7.090 1.00 1.00 C ATOM 0 H ILE A 12 3.148 -3.655 -5.560 1.00 1.00 H new ATOM 0 HA ILE A 12 5.200 -2.099 -6.811 1.00 1.00 H new ATOM 0 HB ILE A 12 2.775 -1.288 -5.141 1.00 1.00 H new ATOM 0 HG12 ILE A 12 2.936 -1.367 -8.181 1.00 1.00 H new ATOM 0 HG13 ILE A 12 2.491 -2.808 -7.289 1.00 1.00 H new ATOM 0 HG21 ILE A 12 2.968 0.842 -6.400 1.00 1.00 H new ATOM 0 HG22 ILE A 12 4.444 0.521 -5.459 1.00 1.00 H new ATOM 0 HG23 ILE A 12 4.427 0.229 -7.215 1.00 1.00 H new ATOM 0 HD11 ILE A 12 0.474 -1.517 -7.932 1.00 1.00 H new ATOM 0 HD12 ILE A 12 0.650 -1.558 -6.161 1.00 1.00 H new ATOM 0 HD13 ILE A 12 1.102 -0.094 -7.067 1.00 1.00 H new ATOM 197 N VAL A 13 4.955 -2.092 -3.523 1.00 1.00 N ATOM 198 CA VAL A 13 5.654 -1.706 -2.301 1.00 1.00 C ATOM 199 C VAL A 13 7.049 -2.322 -2.238 1.00 1.00 C ATOM 200 O VAL A 13 8.030 -1.629 -1.987 1.00 1.00 O ATOM 201 CB VAL A 13 4.850 -2.164 -1.078 1.00 1.00 C ATOM 202 CG1 VAL A 13 5.652 -1.890 0.199 1.00 1.00 C ATOM 203 CG2 VAL A 13 3.522 -1.403 -1.023 1.00 1.00 C ATOM 0 H VAL A 13 4.115 -2.651 -3.376 1.00 1.00 H new ATOM 0 HA VAL A 13 5.754 -0.621 -2.303 1.00 1.00 H new ATOM 0 HB VAL A 13 4.652 -3.233 -1.157 1.00 1.00 H new ATOM 0 HG11 VAL A 13 5.078 -2.217 1.066 1.00 1.00 H new ATOM 0 HG12 VAL A 13 6.594 -2.436 0.161 1.00 1.00 H new ATOM 0 HG13 VAL A 13 5.855 -0.822 0.279 1.00 1.00 H new ATOM 0 HG21 VAL A 13 2.951 -1.729 -0.153 1.00 1.00 H new ATOM 0 HG22 VAL A 13 3.718 -0.333 -0.948 1.00 1.00 H new ATOM 0 HG23 VAL A 13 2.950 -1.604 -1.929 1.00 1.00 H new ATOM 213 N LYS A 14 7.128 -3.621 -2.463 1.00 1.00 N ATOM 214 CA LYS A 14 8.408 -4.313 -2.419 1.00 1.00 C ATOM 215 C LYS A 14 9.336 -3.799 -3.516 1.00 1.00 C ATOM 216 O LYS A 14 10.556 -3.779 -3.355 1.00 1.00 O ATOM 217 CB LYS A 14 8.180 -5.823 -2.579 1.00 1.00 C ATOM 218 CG LYS A 14 7.946 -6.167 -4.053 1.00 1.00 C ATOM 219 CD LYS A 14 7.325 -7.556 -4.169 1.00 1.00 C ATOM 220 CE LYS A 14 8.232 -8.578 -3.488 1.00 1.00 C ATOM 221 NZ LYS A 14 7.864 -9.943 -3.947 1.00 1.00 N ATOM 0 H LYS A 14 6.328 -4.217 -2.677 1.00 1.00 H new ATOM 0 HA LYS A 14 8.881 -4.120 -1.456 1.00 1.00 H new ATOM 0 HB2 LYS A 14 9.044 -6.371 -2.202 1.00 1.00 H new ATOM 0 HB3 LYS A 14 7.321 -6.134 -1.984 1.00 1.00 H new ATOM 0 HG2 LYS A 14 7.289 -5.426 -4.509 1.00 1.00 H new ATOM 0 HG3 LYS A 14 8.890 -6.134 -4.598 1.00 1.00 H new ATOM 0 HD2 LYS A 14 6.338 -7.565 -3.706 1.00 1.00 H new ATOM 0 HD3 LYS A 14 7.187 -7.818 -5.218 1.00 1.00 H new ATOM 0 HE2 LYS A 14 9.275 -8.371 -3.726 1.00 1.00 H new ATOM 0 HE3 LYS A 14 8.131 -8.506 -2.405 1.00 1.00 H new ATOM 0 HZ1 LYS A 14 8.480 -10.642 -3.485 1.00 1.00 H new ATOM 0 HZ2 LYS A 14 6.873 -10.137 -3.699 1.00 1.00 H new ATOM 0 HZ3 LYS A 14 7.982 -10.006 -4.978 1.00 1.00 H new ATOM 235 N GLU A 15 8.745 -3.399 -4.635 1.00 1.00 N ATOM 236 CA GLU A 15 9.525 -2.902 -5.753 1.00 1.00 C ATOM 237 C GLU A 15 10.143 -1.550 -5.424 1.00 1.00 C ATOM 238 O GLU A 15 11.290 -1.273 -5.776 1.00 1.00 O ATOM 239 CB GLU A 15 8.642 -2.774 -6.997 1.00 1.00 C ATOM 240 CG GLU A 15 9.504 -2.431 -8.219 1.00 1.00 C ATOM 241 CD GLU A 15 10.368 -3.628 -8.599 1.00 1.00 C ATOM 242 OE1 GLU A 15 10.161 -4.689 -8.032 1.00 1.00 O ATOM 243 OE2 GLU A 15 11.221 -3.470 -9.456 1.00 1.00 O ATOM 0 H GLU A 15 7.737 -3.410 -4.789 1.00 1.00 H new ATOM 0 HA GLU A 15 10.327 -3.614 -5.950 1.00 1.00 H new ATOM 0 HB2 GLU A 15 8.106 -3.707 -7.170 1.00 1.00 H new ATOM 0 HB3 GLU A 15 7.891 -1.999 -6.842 1.00 1.00 H new ATOM 0 HG2 GLU A 15 8.866 -2.151 -9.058 1.00 1.00 H new ATOM 0 HG3 GLU A 15 10.136 -1.571 -7.999 1.00 1.00 H new ATOM 250 N LYS A 16 9.370 -0.708 -4.765 1.00 1.00 N ATOM 251 CA LYS A 16 9.837 0.619 -4.399 1.00 1.00 C ATOM 252 C LYS A 16 10.867 0.559 -3.284 1.00 1.00 C ATOM 253 O LYS A 16 11.792 1.369 -3.234 1.00 1.00 O ATOM 254 CB LYS A 16 8.654 1.472 -3.952 1.00 1.00 C ATOM 255 CG LYS A 16 7.657 1.639 -5.117 1.00 1.00 C ATOM 256 CD LYS A 16 8.051 2.848 -5.983 1.00 1.00 C ATOM 257 CE LYS A 16 7.870 4.160 -5.190 1.00 1.00 C ATOM 258 NZ LYS A 16 9.198 4.622 -4.698 1.00 1.00 N ATOM 0 H LYS A 16 8.416 -0.918 -4.471 1.00 1.00 H new ATOM 0 HA LYS A 16 10.310 1.063 -5.275 1.00 1.00 H new ATOM 0 HB2 LYS A 16 8.158 1.004 -3.102 1.00 1.00 H new ATOM 0 HB3 LYS A 16 9.004 2.449 -3.619 1.00 1.00 H new ATOM 0 HG2 LYS A 16 7.643 0.735 -5.726 1.00 1.00 H new ATOM 0 HG3 LYS A 16 6.649 1.775 -4.726 1.00 1.00 H new ATOM 0 HD2 LYS A 16 9.088 2.750 -6.305 1.00 1.00 H new ATOM 0 HD3 LYS A 16 7.438 2.873 -6.884 1.00 1.00 H new ATOM 0 HE2 LYS A 16 7.418 4.923 -5.824 1.00 1.00 H new ATOM 0 HE3 LYS A 16 7.193 4.001 -4.351 1.00 1.00 H new ATOM 0 HZ1 LYS A 16 9.089 5.055 -3.759 1.00 1.00 H new ATOM 0 HZ2 LYS A 16 9.845 3.811 -4.632 1.00 1.00 H new ATOM 0 HZ3 LYS A 16 9.588 5.324 -5.359 1.00 1.00 H new ATOM 272 N LEU A 17 10.688 -0.392 -2.379 1.00 1.00 N ATOM 273 CA LEU A 17 11.596 -0.538 -1.246 1.00 1.00 C ATOM 274 C LEU A 17 12.772 -1.436 -1.601 1.00 1.00 C ATOM 275 O LEU A 17 13.714 -1.565 -0.821 1.00 1.00 O ATOM 276 CB LEU A 17 10.836 -1.131 -0.056 1.00 1.00 C ATOM 277 CG LEU A 17 9.650 -0.223 0.305 1.00 1.00 C ATOM 278 CD1 LEU A 17 8.841 -0.870 1.433 1.00 1.00 C ATOM 279 CD2 LEU A 17 10.155 1.155 0.762 1.00 1.00 C ATOM 0 H LEU A 17 9.928 -1.071 -2.405 1.00 1.00 H new ATOM 0 HA LEU A 17 11.984 0.447 -0.985 1.00 1.00 H new ATOM 0 HB2 LEU A 17 10.479 -2.131 -0.302 1.00 1.00 H new ATOM 0 HB3 LEU A 17 11.503 -1.232 0.800 1.00 1.00 H new ATOM 0 HG LEU A 17 9.020 -0.094 -0.575 1.00 1.00 H new ATOM 0 HD11 LEU A 17 7.999 -0.228 1.691 1.00 1.00 H new ATOM 0 HD12 LEU A 17 8.470 -1.841 1.104 1.00 1.00 H new ATOM 0 HD13 LEU A 17 9.478 -1.003 2.308 1.00 1.00 H new ATOM 0 HD21 LEU A 17 9.305 1.789 1.015 1.00 1.00 H new ATOM 0 HD22 LEU A 17 10.793 1.037 1.638 1.00 1.00 H new ATOM 0 HD23 LEU A 17 10.726 1.618 -0.042 1.00 1.00 H new ATOM 291 N ALA A 18 12.713 -2.047 -2.778 1.00 1.00 N ATOM 292 CA ALA A 18 13.784 -2.934 -3.227 1.00 1.00 C ATOM 293 C ALA A 18 13.423 -3.561 -4.563 1.00 1.00 C ATOM 294 O ALA A 18 12.403 -3.239 -5.152 1.00 1.00 O ATOM 295 CB ALA A 18 14.012 -4.034 -2.187 1.00 1.00 C ATOM 0 H ALA A 18 11.941 -1.947 -3.437 1.00 1.00 H new ATOM 0 HA ALA A 18 14.697 -2.351 -3.346 1.00 1.00 H new ATOM 0 HB1 ALA A 18 14.811 -4.694 -2.525 1.00 1.00 H new ATOM 0 HB2 ALA A 18 14.292 -3.582 -1.235 1.00 1.00 H new ATOM 0 HB3 ALA A 18 13.095 -4.610 -2.060 1.00 1.00 H new ATOM 301 N LEU A 19 14.282 -4.450 -5.035 1.00 1.00 N ATOM 302 CA LEU A 19 14.056 -5.115 -6.309 1.00 1.00 C ATOM 303 C LEU A 19 13.001 -6.195 -6.167 1.00 1.00 C ATOM 304 O LEU A 19 12.359 -6.582 -7.143 1.00 1.00 O ATOM 305 CB LEU A 19 15.368 -5.726 -6.811 1.00 1.00 C ATOM 306 CG LEU A 19 16.272 -4.620 -7.381 1.00 1.00 C ATOM 307 CD1 LEU A 19 15.680 -4.053 -8.696 1.00 1.00 C ATOM 308 CD2 LEU A 19 16.422 -3.493 -6.348 1.00 1.00 C ATOM 0 H LEU A 19 15.139 -4.727 -4.557 1.00 1.00 H new ATOM 0 HA LEU A 19 13.700 -4.380 -7.031 1.00 1.00 H new ATOM 0 HB2 LEU A 19 15.876 -6.240 -5.995 1.00 1.00 H new ATOM 0 HB3 LEU A 19 15.162 -6.472 -7.579 1.00 1.00 H new ATOM 0 HG LEU A 19 17.251 -5.047 -7.599 1.00 1.00 H new ATOM 0 HD11 LEU A 19 16.335 -3.272 -9.083 1.00 1.00 H new ATOM 0 HD12 LEU A 19 15.596 -4.853 -9.432 1.00 1.00 H new ATOM 0 HD13 LEU A 19 14.693 -3.635 -8.500 1.00 1.00 H new ATOM 0 HD21 LEU A 19 17.063 -2.710 -6.754 1.00 1.00 H new ATOM 0 HD22 LEU A 19 15.441 -3.076 -6.119 1.00 1.00 H new ATOM 0 HD23 LEU A 19 16.869 -3.892 -5.437 1.00 1.00 H new ATOM 320 N GLY A 20 12.821 -6.677 -4.945 1.00 1.00 N ATOM 321 CA GLY A 20 11.835 -7.715 -4.678 1.00 1.00 C ATOM 322 C GLY A 20 12.455 -9.099 -4.820 1.00 1.00 C ATOM 323 O GLY A 20 11.877 -10.096 -4.386 1.00 1.00 O ATOM 0 H GLY A 20 13.343 -6.367 -4.125 1.00 1.00 H new ATOM 0 HA2 GLY A 20 11.435 -7.592 -3.672 1.00 1.00 H new ATOM 0 HA3 GLY A 20 10.998 -7.614 -5.369 1.00 1.00 H new ATOM 327 N ALA A 21 13.635 -9.157 -5.433 1.00 1.00 N ATOM 328 CA ALA A 21 14.320 -10.429 -5.626 1.00 1.00 C ATOM 329 C ALA A 21 14.806 -10.986 -4.295 1.00 1.00 C ATOM 330 O ALA A 21 14.567 -12.148 -3.971 1.00 1.00 O ATOM 331 CB ALA A 21 15.511 -10.245 -6.569 1.00 1.00 C ATOM 0 H ALA A 21 14.131 -8.345 -5.801 1.00 1.00 H new ATOM 0 HA ALA A 21 13.614 -11.134 -6.065 1.00 1.00 H new ATOM 0 HB1 ALA A 21 16.017 -11.201 -6.707 1.00 1.00 H new ATOM 0 HB2 ALA A 21 15.159 -9.878 -7.533 1.00 1.00 H new ATOM 0 HB3 ALA A 21 16.207 -9.525 -6.139 1.00 1.00 H new ATOM 337 N ASP A 22 15.489 -10.144 -3.524 1.00 1.00 N ATOM 338 CA ASP A 22 16.010 -10.548 -2.219 1.00 1.00 C ATOM 339 C ASP A 22 15.113 -10.044 -1.102 1.00 1.00 C ATOM 340 O ASP A 22 15.448 -10.170 0.075 1.00 1.00 O ATOM 341 CB ASP A 22 17.416 -9.994 -2.024 1.00 1.00 C ATOM 342 CG ASP A 22 17.449 -8.507 -2.351 1.00 1.00 C ATOM 343 OD1 ASP A 22 16.398 -7.959 -2.641 1.00 1.00 O ATOM 344 OD2 ASP A 22 18.527 -7.937 -2.308 1.00 1.00 O ATOM 0 H ASP A 22 15.695 -9.178 -3.779 1.00 1.00 H new ATOM 0 HA ASP A 22 16.037 -11.637 -2.186 1.00 1.00 H new ATOM 0 HB2 ASP A 22 17.738 -10.154 -0.995 1.00 1.00 H new ATOM 0 HB3 ASP A 22 18.117 -10.530 -2.664 1.00 1.00 H new ATOM 349 N VAL A 23 13.974 -9.466 -1.473 1.00 1.00 N ATOM 350 CA VAL A 23 13.031 -8.934 -0.488 1.00 1.00 C ATOM 351 C VAL A 23 11.665 -9.586 -0.662 1.00 1.00 C ATOM 352 O VAL A 23 11.163 -9.712 -1.780 1.00 1.00 O ATOM 353 CB VAL A 23 12.903 -7.423 -0.667 1.00 1.00 C ATOM 354 CG1 VAL A 23 11.787 -6.888 0.240 1.00 1.00 C ATOM 355 CG2 VAL A 23 14.229 -6.746 -0.310 1.00 1.00 C ATOM 0 H VAL A 23 13.681 -9.353 -2.443 1.00 1.00 H new ATOM 0 HA VAL A 23 13.403 -9.153 0.513 1.00 1.00 H new ATOM 0 HB VAL A 23 12.657 -7.204 -1.706 1.00 1.00 H new ATOM 0 HG11 VAL A 23 11.698 -5.809 0.110 1.00 1.00 H new ATOM 0 HG12 VAL A 23 10.843 -7.364 -0.025 1.00 1.00 H new ATOM 0 HG13 VAL A 23 12.026 -7.110 1.280 1.00 1.00 H new ATOM 0 HG21 VAL A 23 14.133 -5.668 -0.439 1.00 1.00 H new ATOM 0 HG22 VAL A 23 14.482 -6.966 0.727 1.00 1.00 H new ATOM 0 HG23 VAL A 23 15.017 -7.121 -0.963 1.00 1.00 H new ATOM 365 N VAL A 24 11.070 -9.999 0.454 1.00 1.00 N ATOM 366 CA VAL A 24 9.756 -10.642 0.436 1.00 1.00 C ATOM 367 C VAL A 24 8.776 -9.865 1.302 1.00 1.00 C ATOM 368 O VAL A 24 9.089 -9.502 2.436 1.00 1.00 O ATOM 369 CB VAL A 24 9.870 -12.072 0.960 1.00 1.00 C ATOM 370 CG1 VAL A 24 10.372 -12.052 2.406 1.00 1.00 C ATOM 371 CG2 VAL A 24 8.494 -12.738 0.905 1.00 1.00 C ATOM 0 H VAL A 24 11.476 -9.900 1.384 1.00 1.00 H new ATOM 0 HA VAL A 24 9.391 -10.658 -0.591 1.00 1.00 H new ATOM 0 HB VAL A 24 10.574 -12.632 0.344 1.00 1.00 H new ATOM 0 HG11 VAL A 24 10.452 -13.074 2.777 1.00 1.00 H new ATOM 0 HG12 VAL A 24 11.351 -11.574 2.445 1.00 1.00 H new ATOM 0 HG13 VAL A 24 9.671 -11.494 3.027 1.00 1.00 H new ATOM 0 HG21 VAL A 24 8.569 -13.759 1.278 1.00 1.00 H new ATOM 0 HG22 VAL A 24 7.793 -12.177 1.523 1.00 1.00 H new ATOM 0 HG23 VAL A 24 8.138 -12.753 -0.125 1.00 1.00 H new ATOM 381 N VAL A 25 7.590 -9.608 0.755 1.00 1.00 N ATOM 382 CA VAL A 25 6.552 -8.865 1.475 1.00 1.00 C ATOM 383 C VAL A 25 5.332 -9.748 1.696 1.00 1.00 C ATOM 384 O VAL A 25 4.900 -10.465 0.793 1.00 1.00 O ATOM 385 CB VAL A 25 6.149 -7.622 0.679 1.00 1.00 C ATOM 386 CG1 VAL A 25 4.944 -6.956 1.351 1.00 1.00 C ATOM 387 CG2 VAL A 25 7.323 -6.641 0.638 1.00 1.00 C ATOM 0 H VAL A 25 7.321 -9.902 -0.184 1.00 1.00 H new ATOM 0 HA VAL A 25 6.950 -8.558 2.442 1.00 1.00 H new ATOM 0 HB VAL A 25 5.883 -7.909 -0.338 1.00 1.00 H new ATOM 0 HG11 VAL A 25 4.655 -6.070 0.785 1.00 1.00 H new ATOM 0 HG12 VAL A 25 4.110 -7.657 1.379 1.00 1.00 H new ATOM 0 HG13 VAL A 25 5.209 -6.667 2.368 1.00 1.00 H new ATOM 0 HG21 VAL A 25 7.037 -5.755 0.071 1.00 1.00 H new ATOM 0 HG22 VAL A 25 7.591 -6.351 1.654 1.00 1.00 H new ATOM 0 HG23 VAL A 25 8.179 -7.117 0.160 1.00 1.00 H new ATOM 397 N THR A 26 4.783 -9.695 2.906 1.00 1.00 N ATOM 398 CA THR A 26 3.606 -10.495 3.259 1.00 1.00 C ATOM 399 C THR A 26 2.544 -9.621 3.919 1.00 1.00 C ATOM 400 O THR A 26 2.827 -8.512 4.370 1.00 1.00 O ATOM 401 CB THR A 26 4.016 -11.630 4.213 1.00 1.00 C ATOM 402 OG1 THR A 26 5.016 -11.158 5.103 1.00 1.00 O ATOM 403 CG2 THR A 26 4.558 -12.811 3.410 1.00 1.00 C ATOM 0 H THR A 26 5.132 -9.107 3.662 1.00 1.00 H new ATOM 0 HA THR A 26 3.187 -10.922 2.348 1.00 1.00 H new ATOM 0 HB THR A 26 3.146 -11.956 4.783 1.00 1.00 H new ATOM 0 HG1 THR A 26 5.278 -11.879 5.713 1.00 1.00 H new ATOM 0 HG21 THR A 26 4.847 -13.612 4.091 1.00 1.00 H new ATOM 0 HG22 THR A 26 3.787 -13.173 2.730 1.00 1.00 H new ATOM 0 HG23 THR A 26 5.428 -12.492 2.835 1.00 1.00 H new ATOM 411 N ALA A 27 1.318 -10.133 3.964 1.00 1.00 N ATOM 412 CA ALA A 27 0.218 -9.407 4.561 1.00 1.00 C ATOM 413 C ALA A 27 0.498 -9.134 6.033 1.00 1.00 C ATOM 414 O ALA A 27 -0.046 -8.197 6.616 1.00 1.00 O ATOM 415 CB ALA A 27 -1.069 -10.220 4.419 1.00 1.00 C ATOM 0 H ALA A 27 1.068 -11.049 3.592 1.00 1.00 H new ATOM 0 HA ALA A 27 0.104 -8.453 4.046 1.00 1.00 H new ATOM 0 HB1 ALA A 27 -1.897 -9.672 4.869 1.00 1.00 H new ATOM 0 HB2 ALA A 27 -1.278 -10.389 3.363 1.00 1.00 H new ATOM 0 HB3 ALA A 27 -0.951 -11.179 4.924 1.00 1.00 H new ATOM 421 N ASP A 28 1.342 -9.964 6.631 1.00 1.00 N ATOM 422 CA ASP A 28 1.685 -9.809 8.043 1.00 1.00 C ATOM 423 C ASP A 28 2.844 -8.829 8.211 1.00 1.00 C ATOM 424 O ASP A 28 3.089 -8.324 9.307 1.00 1.00 O ATOM 425 CB ASP A 28 2.076 -11.164 8.637 1.00 1.00 C ATOM 426 CG ASP A 28 2.194 -11.055 10.154 1.00 1.00 C ATOM 427 OD1 ASP A 28 2.061 -9.955 10.663 1.00 1.00 O ATOM 428 OD2 ASP A 28 2.410 -12.077 10.786 1.00 1.00 O ATOM 0 H ASP A 28 1.801 -10.748 6.166 1.00 1.00 H new ATOM 0 HA ASP A 28 0.813 -9.418 8.567 1.00 1.00 H new ATOM 0 HB2 ASP A 28 1.330 -11.914 8.375 1.00 1.00 H new ATOM 0 HB3 ASP A 28 3.024 -11.496 8.213 1.00 1.00 H new ATOM 433 N SER A 29 3.556 -8.568 7.120 1.00 1.00 N ATOM 434 CA SER A 29 4.687 -7.651 7.166 1.00 1.00 C ATOM 435 C SER A 29 4.207 -6.214 7.331 1.00 1.00 C ATOM 436 O SER A 29 3.200 -5.814 6.747 1.00 1.00 O ATOM 437 CB SER A 29 5.504 -7.769 5.880 1.00 1.00 C ATOM 438 OG SER A 29 6.025 -9.088 5.777 1.00 1.00 O ATOM 0 H SER A 29 3.372 -8.974 6.202 1.00 1.00 H new ATOM 0 HA SER A 29 5.309 -7.915 8.021 1.00 1.00 H new ATOM 0 HB2 SER A 29 4.879 -7.543 5.016 1.00 1.00 H new ATOM 0 HB3 SER A 29 6.317 -7.043 5.884 1.00 1.00 H new ATOM 0 HG SER A 29 5.313 -9.700 5.498 1.00 1.00 H new ATOM 444 N GLU A 30 4.940 -5.436 8.125 1.00 1.00 N ATOM 445 CA GLU A 30 4.589 -4.033 8.362 1.00 1.00 C ATOM 446 C GLU A 30 5.448 -3.122 7.497 1.00 1.00 C ATOM 447 O GLU A 30 6.630 -3.380 7.300 1.00 1.00 O ATOM 448 CB GLU A 30 4.795 -3.686 9.835 1.00 1.00 C ATOM 449 CG GLU A 30 3.747 -4.410 10.680 1.00 1.00 C ATOM 450 CD GLU A 30 4.036 -4.203 12.161 1.00 1.00 C ATOM 451 OE1 GLU A 30 4.980 -3.492 12.467 1.00 1.00 O ATOM 452 OE2 GLU A 30 3.310 -4.758 12.968 1.00 1.00 O ATOM 0 H GLU A 30 5.778 -5.750 8.615 1.00 1.00 H new ATOM 0 HA GLU A 30 3.541 -3.886 8.100 1.00 1.00 H new ATOM 0 HB2 GLU A 30 5.797 -3.976 10.151 1.00 1.00 H new ATOM 0 HB3 GLU A 30 4.714 -2.609 9.981 1.00 1.00 H new ATOM 0 HG2 GLU A 30 2.752 -4.035 10.440 1.00 1.00 H new ATOM 0 HG3 GLU A 30 3.752 -5.475 10.446 1.00 1.00 H new ATOM 459 N PHE A 31 4.845 -2.058 6.986 1.00 1.00 N ATOM 460 CA PHE A 31 5.566 -1.118 6.134 1.00 1.00 C ATOM 461 C PHE A 31 6.875 -0.692 6.789 1.00 1.00 C ATOM 462 O PHE A 31 7.905 -0.585 6.123 1.00 1.00 O ATOM 463 CB PHE A 31 4.699 0.117 5.873 1.00 1.00 C ATOM 464 CG PHE A 31 3.600 -0.226 4.894 1.00 1.00 C ATOM 465 CD1 PHE A 31 3.882 -0.294 3.523 1.00 1.00 C ATOM 466 CD2 PHE A 31 2.298 -0.477 5.351 1.00 1.00 C ATOM 467 CE1 PHE A 31 2.867 -0.609 2.619 1.00 1.00 C ATOM 468 CE2 PHE A 31 1.286 -0.790 4.440 1.00 1.00 C ATOM 469 CZ PHE A 31 1.571 -0.857 3.076 1.00 1.00 C ATOM 0 H PHE A 31 3.865 -1.823 7.144 1.00 1.00 H new ATOM 0 HA PHE A 31 5.792 -1.613 5.189 1.00 1.00 H new ATOM 0 HB2 PHE A 31 4.267 0.474 6.808 1.00 1.00 H new ATOM 0 HB3 PHE A 31 5.312 0.926 5.476 1.00 1.00 H new ATOM 0 HD1 PHE A 31 4.883 -0.103 3.167 1.00 1.00 H new ATOM 0 HD2 PHE A 31 2.078 -0.428 6.407 1.00 1.00 H new ATOM 0 HE1 PHE A 31 3.084 -0.661 1.562 1.00 1.00 H new ATOM 0 HE2 PHE A 31 0.283 -0.980 4.792 1.00 1.00 H new ATOM 0 HZ PHE A 31 0.788 -1.101 2.373 1.00 1.00 H new ATOM 479 N SER A 32 6.829 -0.448 8.092 1.00 1.00 N ATOM 480 CA SER A 32 8.023 -0.032 8.820 1.00 1.00 C ATOM 481 C SER A 32 9.111 -1.102 8.739 1.00 1.00 C ATOM 482 O SER A 32 10.287 -0.790 8.557 1.00 1.00 O ATOM 483 CB SER A 32 7.672 0.224 10.284 1.00 1.00 C ATOM 484 OG SER A 32 7.138 -0.965 10.852 1.00 1.00 O ATOM 0 H SER A 32 5.988 -0.529 8.663 1.00 1.00 H new ATOM 0 HA SER A 32 8.400 0.884 8.364 1.00 1.00 H new ATOM 0 HB2 SER A 32 8.560 0.537 10.834 1.00 1.00 H new ATOM 0 HB3 SER A 32 6.948 1.035 10.360 1.00 1.00 H new ATOM 0 HG SER A 32 6.913 -0.806 11.792 1.00 1.00 H new ATOM 490 N LYS A 33 8.709 -2.360 8.871 1.00 1.00 N ATOM 491 CA LYS A 33 9.657 -3.469 8.806 1.00 1.00 C ATOM 492 C LYS A 33 10.334 -3.523 7.442 1.00 1.00 C ATOM 493 O LYS A 33 11.523 -3.826 7.341 1.00 1.00 O ATOM 494 CB LYS A 33 8.934 -4.791 9.076 1.00 1.00 C ATOM 495 CG LYS A 33 8.562 -4.878 10.556 1.00 1.00 C ATOM 496 CD LYS A 33 7.750 -6.152 10.803 1.00 1.00 C ATOM 497 CE LYS A 33 7.360 -6.232 12.280 1.00 1.00 C ATOM 498 NZ LYS A 33 6.525 -7.445 12.508 1.00 1.00 N ATOM 0 H LYS A 33 7.740 -2.638 9.023 1.00 1.00 H new ATOM 0 HA LYS A 33 10.421 -3.311 9.567 1.00 1.00 H new ATOM 0 HB2 LYS A 33 8.037 -4.859 8.460 1.00 1.00 H new ATOM 0 HB3 LYS A 33 9.574 -5.630 8.801 1.00 1.00 H new ATOM 0 HG2 LYS A 33 9.463 -4.884 11.169 1.00 1.00 H new ATOM 0 HG3 LYS A 33 7.983 -4.002 10.849 1.00 1.00 H new ATOM 0 HD2 LYS A 33 6.856 -6.152 10.180 1.00 1.00 H new ATOM 0 HD3 LYS A 33 8.334 -7.028 10.523 1.00 1.00 H new ATOM 0 HE2 LYS A 33 8.254 -6.271 12.902 1.00 1.00 H new ATOM 0 HE3 LYS A 33 6.808 -5.338 12.571 1.00 1.00 H new ATOM 0 HZ1 LYS A 33 6.259 -7.500 13.512 1.00 1.00 H new ATOM 0 HZ2 LYS A 33 5.665 -7.389 11.925 1.00 1.00 H new ATOM 0 HZ3 LYS A 33 7.066 -8.293 12.246 1.00 1.00 H new ATOM 512 N LEU A 34 9.573 -3.231 6.396 1.00 1.00 N ATOM 513 CA LEU A 34 10.110 -3.254 5.041 1.00 1.00 C ATOM 514 C LEU A 34 11.161 -2.170 4.864 1.00 1.00 C ATOM 515 O LEU A 34 12.007 -2.255 3.975 1.00 1.00 O ATOM 516 CB LEU A 34 8.982 -3.048 4.030 1.00 1.00 C ATOM 517 CG LEU A 34 7.875 -4.076 4.273 1.00 1.00 C ATOM 518 CD1 LEU A 34 6.734 -3.846 3.280 1.00 1.00 C ATOM 519 CD2 LEU A 34 8.430 -5.499 4.106 1.00 1.00 C ATOM 0 H LEU A 34 8.587 -2.977 6.458 1.00 1.00 H new ATOM 0 HA LEU A 34 10.576 -4.224 4.870 1.00 1.00 H new ATOM 0 HB2 LEU A 34 8.580 -2.039 4.120 1.00 1.00 H new ATOM 0 HB3 LEU A 34 9.368 -3.148 3.015 1.00 1.00 H new ATOM 0 HG LEU A 34 7.499 -3.961 5.290 1.00 1.00 H new ATOM 0 HD11 LEU A 34 5.946 -4.579 3.455 1.00 1.00 H new ATOM 0 HD12 LEU A 34 6.331 -2.842 3.414 1.00 1.00 H new ATOM 0 HD13 LEU A 34 7.110 -3.953 2.263 1.00 1.00 H new ATOM 0 HD21 LEU A 34 7.634 -6.223 4.281 1.00 1.00 H new ATOM 0 HD22 LEU A 34 8.817 -5.622 3.094 1.00 1.00 H new ATOM 0 HD23 LEU A 34 9.234 -5.663 4.824 1.00 1.00 H new ATOM 531 N GLY A 35 11.109 -1.152 5.718 1.00 1.00 N ATOM 532 CA GLY A 35 12.069 -0.051 5.652 1.00 1.00 C ATOM 533 C GLY A 35 11.424 1.203 5.077 1.00 1.00 C ATOM 534 O GLY A 35 12.100 2.203 4.839 1.00 1.00 O ATOM 0 H GLY A 35 10.416 -1.065 6.461 1.00 1.00 H new ATOM 0 HA2 GLY A 35 12.455 0.159 6.649 1.00 1.00 H new ATOM 0 HA3 GLY A 35 12.919 -0.342 5.035 1.00 1.00 H new ATOM 538 N ALA A 36 10.115 1.144 4.857 1.00 1.00 N ATOM 539 CA ALA A 36 9.399 2.287 4.311 1.00 1.00 C ATOM 540 C ALA A 36 9.391 3.434 5.312 1.00 1.00 C ATOM 541 O ALA A 36 8.703 3.376 6.332 1.00 1.00 O ATOM 542 CB ALA A 36 7.959 1.889 3.982 1.00 1.00 C ATOM 0 H ALA A 36 9.535 0.326 5.046 1.00 1.00 H new ATOM 0 HA ALA A 36 9.904 2.612 3.402 1.00 1.00 H new ATOM 0 HB1 ALA A 36 7.428 2.749 3.574 1.00 1.00 H new ATOM 0 HB2 ALA A 36 7.963 1.083 3.248 1.00 1.00 H new ATOM 0 HB3 ALA A 36 7.459 1.551 4.889 1.00 1.00 H new ATOM 548 N ASP A 37 10.154 4.481 5.010 1.00 1.00 N ATOM 549 CA ASP A 37 10.227 5.648 5.886 1.00 1.00 C ATOM 550 C ASP A 37 9.186 6.680 5.483 1.00 1.00 C ATOM 551 O ASP A 37 8.383 6.451 4.580 1.00 1.00 O ATOM 552 CB ASP A 37 11.618 6.274 5.815 1.00 1.00 C ATOM 553 CG ASP A 37 11.792 7.306 6.920 1.00 1.00 C ATOM 554 OD1 ASP A 37 11.724 6.923 8.076 1.00 1.00 O ATOM 555 OD2 ASP A 37 11.995 8.465 6.595 1.00 1.00 O ATOM 0 H ASP A 37 10.728 4.546 4.170 1.00 1.00 H new ATOM 0 HA ASP A 37 10.029 5.323 6.907 1.00 1.00 H new ATOM 0 HB2 ASP A 37 12.378 5.499 5.910 1.00 1.00 H new ATOM 0 HB3 ASP A 37 11.763 6.745 4.843 1.00 1.00 H new ATOM 560 N SER A 38 9.210 7.815 6.162 1.00 1.00 N ATOM 561 CA SER A 38 8.262 8.890 5.875 1.00 1.00 C ATOM 562 C SER A 38 8.459 9.416 4.457 1.00 1.00 C ATOM 563 O SER A 38 7.492 9.719 3.756 1.00 1.00 O ATOM 564 CB SER A 38 8.440 10.034 6.874 1.00 1.00 C ATOM 0 H SER A 38 9.870 8.020 6.912 1.00 1.00 H new ATOM 0 HA SER A 38 7.253 8.487 5.965 1.00 1.00 H new ATOM 569 N LEU A 39 9.716 9.526 4.044 1.00 1.00 N ATOM 570 CA LEU A 39 10.033 10.019 2.711 1.00 1.00 C ATOM 571 C LEU A 39 9.488 9.078 1.649 1.00 1.00 C ATOM 572 O LEU A 39 8.972 9.520 0.630 1.00 1.00 O ATOM 573 CB LEU A 39 11.548 10.147 2.547 1.00 1.00 C ATOM 574 CG LEU A 39 12.120 10.967 3.708 1.00 1.00 C ATOM 575 CD1 LEU A 39 13.642 11.057 3.565 1.00 1.00 C ATOM 576 CD2 LEU A 39 11.513 12.381 3.698 1.00 1.00 C ATOM 0 H LEU A 39 10.528 9.282 4.610 1.00 1.00 H new ATOM 0 HA LEU A 39 9.569 10.998 2.588 1.00 1.00 H new ATOM 0 HB2 LEU A 39 12.007 9.159 2.525 1.00 1.00 H new ATOM 0 HB3 LEU A 39 11.782 10.628 1.598 1.00 1.00 H new ATOM 0 HG LEU A 39 11.871 10.480 4.651 1.00 1.00 H new ATOM 0 HD11 LEU A 39 14.051 11.640 4.390 1.00 1.00 H new ATOM 0 HD12 LEU A 39 14.069 10.054 3.582 1.00 1.00 H new ATOM 0 HD13 LEU A 39 13.891 11.541 2.620 1.00 1.00 H new ATOM 0 HD21 LEU A 39 11.924 12.959 4.526 1.00 1.00 H new ATOM 0 HD22 LEU A 39 11.754 12.874 2.756 1.00 1.00 H new ATOM 0 HD23 LEU A 39 10.430 12.313 3.805 1.00 1.00 H new ATOM 588 N ASP A 40 9.612 7.781 1.891 1.00 1.00 N ATOM 589 CA ASP A 40 9.123 6.783 0.947 1.00 1.00 C ATOM 590 C ASP A 40 7.614 6.609 1.078 1.00 1.00 C ATOM 591 O ASP A 40 6.925 6.358 0.098 1.00 1.00 O ATOM 592 CB ASP A 40 9.817 5.439 1.192 1.00 1.00 C ATOM 593 CG ASP A 40 9.682 4.548 -0.037 1.00 1.00 C ATOM 594 OD1 ASP A 40 10.350 4.823 -1.021 1.00 1.00 O ATOM 595 OD2 ASP A 40 8.913 3.604 0.023 1.00 1.00 O ATOM 0 H ASP A 40 10.045 7.395 2.730 1.00 1.00 H new ATOM 0 HA ASP A 40 9.350 7.129 -0.061 1.00 1.00 H new ATOM 0 HB2 ASP A 40 10.871 5.601 1.419 1.00 1.00 H new ATOM 0 HB3 ASP A 40 9.376 4.946 2.058 1.00 1.00 H new ATOM 600 N THR A 41 7.111 6.734 2.300 1.00 1.00 N ATOM 601 CA THR A 41 5.686 6.561 2.554 1.00 1.00 C ATOM 602 C THR A 41 4.857 7.304 1.514 1.00 1.00 C ATOM 603 O THR A 41 3.838 6.798 1.043 1.00 1.00 O ATOM 604 CB THR A 41 5.339 7.091 3.950 1.00 1.00 C ATOM 605 OG1 THR A 41 6.058 6.355 4.930 1.00 1.00 O ATOM 606 CG2 THR A 41 3.840 6.933 4.199 1.00 1.00 C ATOM 0 H THR A 41 7.666 6.954 3.127 1.00 1.00 H new ATOM 0 HA THR A 41 5.455 5.498 2.494 1.00 1.00 H new ATOM 0 HB THR A 41 5.610 8.145 4.013 1.00 1.00 H new ATOM 0 HG1 THR A 41 6.916 6.065 4.557 1.00 1.00 H new ATOM 0 HG21 THR A 41 3.594 7.310 5.192 1.00 1.00 H new ATOM 0 HG22 THR A 41 3.285 7.497 3.449 1.00 1.00 H new ATOM 0 HG23 THR A 41 3.569 5.879 4.134 1.00 1.00 H new ATOM 614 N VAL A 42 5.297 8.497 1.159 1.00 1.00 N ATOM 615 CA VAL A 42 4.584 9.297 0.169 1.00 1.00 C ATOM 616 C VAL A 42 4.653 8.636 -1.209 1.00 1.00 C ATOM 617 O VAL A 42 3.705 8.700 -1.990 1.00 1.00 O ATOM 618 CB VAL A 42 5.185 10.713 0.108 1.00 1.00 C ATOM 619 CG1 VAL A 42 6.473 10.702 -0.728 1.00 1.00 C ATOM 620 CG2 VAL A 42 4.174 11.671 -0.529 1.00 1.00 C ATOM 0 H VAL A 42 6.138 8.935 1.536 1.00 1.00 H new ATOM 0 HA VAL A 42 3.537 9.366 0.465 1.00 1.00 H new ATOM 0 HB VAL A 42 5.418 11.044 1.120 1.00 1.00 H new ATOM 0 HG11 VAL A 42 6.891 11.708 -0.766 1.00 1.00 H new ATOM 0 HG12 VAL A 42 7.196 10.025 -0.273 1.00 1.00 H new ATOM 0 HG13 VAL A 42 6.247 10.365 -1.740 1.00 1.00 H new ATOM 0 HG21 VAL A 42 4.600 12.673 -0.572 1.00 1.00 H new ATOM 0 HG22 VAL A 42 3.939 11.333 -1.538 1.00 1.00 H new ATOM 0 HG23 VAL A 42 3.263 11.689 0.069 1.00 1.00 H new ATOM 630 N GLU A 43 5.792 8.014 -1.499 1.00 1.00 N ATOM 631 CA GLU A 43 5.985 7.358 -2.776 1.00 1.00 C ATOM 632 C GLU A 43 5.085 6.137 -2.890 1.00 1.00 C ATOM 633 O GLU A 43 4.556 5.840 -3.960 1.00 1.00 O ATOM 634 CB GLU A 43 7.451 6.940 -2.934 1.00 1.00 C ATOM 635 CG GLU A 43 8.329 8.181 -3.105 1.00 1.00 C ATOM 636 CD GLU A 43 9.797 7.778 -3.178 1.00 1.00 C ATOM 637 OE1 GLU A 43 10.068 6.588 -3.134 1.00 1.00 O ATOM 638 OE2 GLU A 43 10.630 8.663 -3.278 1.00 1.00 O ATOM 0 H GLU A 43 6.589 7.954 -0.866 1.00 1.00 H new ATOM 0 HA GLU A 43 5.724 8.059 -3.569 1.00 1.00 H new ATOM 0 HB2 GLU A 43 7.773 6.373 -2.060 1.00 1.00 H new ATOM 0 HB3 GLU A 43 7.560 6.284 -3.798 1.00 1.00 H new ATOM 0 HG2 GLU A 43 8.045 8.715 -4.012 1.00 1.00 H new ATOM 0 HG3 GLU A 43 8.173 8.865 -2.270 1.00 1.00 H new ATOM 645 N ILE A 44 4.919 5.426 -1.781 1.00 1.00 N ATOM 646 CA ILE A 44 4.088 4.232 -1.775 1.00 1.00 C ATOM 647 C ILE A 44 2.647 4.579 -2.105 1.00 1.00 C ATOM 648 O ILE A 44 2.023 3.940 -2.951 1.00 1.00 O ATOM 649 CB ILE A 44 4.149 3.562 -0.396 1.00 1.00 C ATOM 650 CG1 ILE A 44 5.608 3.320 0.005 1.00 1.00 C ATOM 651 CG2 ILE A 44 3.405 2.230 -0.434 1.00 1.00 C ATOM 652 CD1 ILE A 44 6.343 2.527 -1.076 1.00 1.00 C ATOM 0 H ILE A 44 5.345 5.654 -0.883 1.00 1.00 H new ATOM 0 HA ILE A 44 4.466 3.546 -2.533 1.00 1.00 H new ATOM 0 HB ILE A 44 3.679 4.219 0.336 1.00 1.00 H new ATOM 0 HG12 ILE A 44 6.109 4.275 0.166 1.00 1.00 H new ATOM 0 HG13 ILE A 44 5.645 2.777 0.949 1.00 1.00 H new ATOM 0 HG21 ILE A 44 3.452 1.759 0.548 1.00 1.00 H new ATOM 0 HG22 ILE A 44 2.363 2.403 -0.704 1.00 1.00 H new ATOM 0 HG23 ILE A 44 3.868 1.576 -1.173 1.00 1.00 H new ATOM 0 HD11 ILE A 44 7.377 2.367 -0.770 1.00 1.00 H new ATOM 0 HD12 ILE A 44 5.853 1.564 -1.217 1.00 1.00 H new ATOM 0 HD13 ILE A 44 6.324 3.084 -2.013 1.00 1.00 H new ATOM 664 N VAL A 45 2.120 5.591 -1.432 1.00 1.00 N ATOM 665 CA VAL A 45 0.745 6.008 -1.660 1.00 1.00 C ATOM 666 C VAL A 45 0.585 6.589 -3.060 1.00 1.00 C ATOM 667 O VAL A 45 -0.377 6.287 -3.760 1.00 1.00 O ATOM 668 CB VAL A 45 0.339 7.055 -0.624 1.00 1.00 C ATOM 669 CG1 VAL A 45 -1.121 7.455 -0.845 1.00 1.00 C ATOM 670 CG2 VAL A 45 0.510 6.476 0.781 1.00 1.00 C ATOM 0 H VAL A 45 2.619 6.135 -0.729 1.00 1.00 H new ATOM 0 HA VAL A 45 0.101 5.134 -1.566 1.00 1.00 H new ATOM 0 HB VAL A 45 0.972 7.936 -0.730 1.00 1.00 H new ATOM 0 HG11 VAL A 45 -1.410 8.202 -0.105 1.00 1.00 H new ATOM 0 HG12 VAL A 45 -1.237 7.872 -1.846 1.00 1.00 H new ATOM 0 HG13 VAL A 45 -1.758 6.577 -0.742 1.00 1.00 H new ATOM 0 HG21 VAL A 45 0.220 7.223 1.520 1.00 1.00 H new ATOM 0 HG22 VAL A 45 -0.121 5.594 0.890 1.00 1.00 H new ATOM 0 HG23 VAL A 45 1.553 6.198 0.936 1.00 1.00 H new ATOM 680 N MET A 46 1.530 7.431 -3.458 1.00 1.00 N ATOM 681 CA MET A 46 1.468 8.056 -4.772 1.00 1.00 C ATOM 682 C MET A 46 1.428 7.001 -5.871 1.00 1.00 C ATOM 683 O MET A 46 0.631 7.098 -6.804 1.00 1.00 O ATOM 684 CB MET A 46 2.692 8.954 -4.975 1.00 1.00 C ATOM 685 CG MET A 46 2.593 9.672 -6.328 1.00 1.00 C ATOM 686 SD MET A 46 4.049 10.721 -6.566 1.00 1.00 S ATOM 687 CE MET A 46 3.740 11.865 -5.199 1.00 1.00 C ATOM 0 H MET A 46 2.340 7.695 -2.897 1.00 1.00 H new ATOM 0 HA MET A 46 0.558 8.653 -4.826 1.00 1.00 H new ATOM 0 HB2 MET A 46 2.755 9.685 -4.169 1.00 1.00 H new ATOM 0 HB3 MET A 46 3.603 8.357 -4.936 1.00 1.00 H new ATOM 0 HG2 MET A 46 2.522 8.942 -7.134 1.00 1.00 H new ATOM 0 HG3 MET A 46 1.687 10.276 -6.365 1.00 1.00 H new ATOM 0 HE1 MET A 46 4.211 12.824 -5.414 1.00 1.00 H new ATOM 0 HE2 MET A 46 2.666 12.007 -5.079 1.00 1.00 H new ATOM 0 HE3 MET A 46 4.157 11.454 -4.279 1.00 1.00 H new ATOM 697 N ASN A 47 2.294 6.001 -5.764 1.00 1.00 N ATOM 698 CA ASN A 47 2.343 4.946 -6.765 1.00 1.00 C ATOM 699 C ASN A 47 1.032 4.166 -6.791 1.00 1.00 C ATOM 700 O ASN A 47 0.499 3.860 -7.859 1.00 1.00 O ATOM 701 CB ASN A 47 3.502 3.994 -6.449 1.00 1.00 C ATOM 702 CG ASN A 47 4.826 4.626 -6.866 1.00 1.00 C ATOM 703 OD1 ASN A 47 5.507 4.116 -7.755 1.00 1.00 O ATOM 704 ND2 ASN A 47 5.229 5.717 -6.276 1.00 1.00 N ATOM 0 H ASN A 47 2.965 5.899 -5.002 1.00 1.00 H new ATOM 0 HA ASN A 47 2.496 5.401 -7.744 1.00 1.00 H new ATOM 0 HB2 ASN A 47 3.517 3.768 -5.383 1.00 1.00 H new ATOM 0 HB3 ASN A 47 3.360 3.049 -6.973 1.00 1.00 H new ATOM 0 HD21 ASN A 47 6.111 6.150 -6.551 1.00 1.00 H new ATOM 0 HD22 ASN A 47 4.662 6.138 -5.539 1.00 1.00 H new ATOM 711 N LEU A 48 0.519 3.841 -5.612 1.00 1.00 N ATOM 712 CA LEU A 48 -0.725 3.091 -5.517 1.00 1.00 C ATOM 713 C LEU A 48 -1.893 3.911 -6.042 1.00 1.00 C ATOM 714 O LEU A 48 -2.757 3.401 -6.751 1.00 1.00 O ATOM 715 CB LEU A 48 -0.979 2.695 -4.057 1.00 1.00 C ATOM 716 CG LEU A 48 0.093 1.696 -3.589 1.00 1.00 C ATOM 717 CD1 LEU A 48 0.192 1.728 -2.060 1.00 1.00 C ATOM 718 CD2 LEU A 48 -0.283 0.274 -4.027 1.00 1.00 C ATOM 0 H LEU A 48 0.941 4.083 -4.715 1.00 1.00 H new ATOM 0 HA LEU A 48 -0.636 2.193 -6.128 1.00 1.00 H new ATOM 0 HB2 LEU A 48 -0.963 3.582 -3.423 1.00 1.00 H new ATOM 0 HB3 LEU A 48 -1.970 2.251 -3.959 1.00 1.00 H new ATOM 0 HG LEU A 48 1.048 1.975 -4.033 1.00 1.00 H new ATOM 0 HD11 LEU A 48 0.952 1.020 -1.730 1.00 1.00 H new ATOM 0 HD12 LEU A 48 0.465 2.732 -1.734 1.00 1.00 H new ATOM 0 HD13 LEU A 48 -0.771 1.455 -1.627 1.00 1.00 H new ATOM 0 HD21 LEU A 48 0.483 -0.425 -3.690 1.00 1.00 H new ATOM 0 HD22 LEU A 48 -1.242 -0.000 -3.588 1.00 1.00 H new ATOM 0 HD23 LEU A 48 -0.357 0.236 -5.114 1.00 1.00 H new ATOM 730 N GLU A 49 -1.914 5.185 -5.693 1.00 1.00 N ATOM 731 CA GLU A 49 -2.987 6.061 -6.137 1.00 1.00 C ATOM 732 C GLU A 49 -3.066 6.088 -7.655 1.00 1.00 C ATOM 733 O GLU A 49 -4.153 6.090 -8.233 1.00 1.00 O ATOM 734 CB GLU A 49 -2.757 7.480 -5.601 1.00 1.00 C ATOM 735 CG GLU A 49 -3.157 7.555 -4.124 1.00 1.00 C ATOM 736 CD GLU A 49 -2.846 8.940 -3.570 1.00 1.00 C ATOM 737 OE1 GLU A 49 -2.307 9.746 -4.310 1.00 1.00 O ATOM 738 OE2 GLU A 49 -3.152 9.173 -2.413 1.00 1.00 O ATOM 0 H GLU A 49 -1.208 5.634 -5.109 1.00 1.00 H new ATOM 0 HA GLU A 49 -3.930 5.677 -5.749 1.00 1.00 H new ATOM 0 HB2 GLU A 49 -1.709 7.755 -5.717 1.00 1.00 H new ATOM 0 HB3 GLU A 49 -3.340 8.195 -6.181 1.00 1.00 H new ATOM 0 HG2 GLU A 49 -4.220 7.341 -4.015 1.00 1.00 H new ATOM 0 HG3 GLU A 49 -2.619 6.797 -3.554 1.00 1.00 H new ATOM 745 N GLU A 50 -1.913 6.111 -8.290 1.00 1.00 N ATOM 746 CA GLU A 50 -1.856 6.139 -9.745 1.00 1.00 C ATOM 747 C GLU A 50 -2.253 4.789 -10.333 1.00 1.00 C ATOM 748 O GLU A 50 -2.925 4.726 -11.362 1.00 1.00 O ATOM 749 CB GLU A 50 -0.444 6.502 -10.216 1.00 1.00 C ATOM 750 CG GLU A 50 -0.470 6.913 -11.695 1.00 1.00 C ATOM 751 CD GLU A 50 -0.714 5.689 -12.572 1.00 1.00 C ATOM 752 OE1 GLU A 50 -0.284 4.614 -12.186 1.00 1.00 O ATOM 753 OE2 GLU A 50 -1.332 5.842 -13.612 1.00 1.00 O ATOM 0 H GLU A 50 -1.004 6.111 -7.828 1.00 1.00 H new ATOM 0 HA GLU A 50 -2.561 6.895 -10.092 1.00 1.00 H new ATOM 0 HB2 GLU A 50 -0.049 7.318 -9.611 1.00 1.00 H new ATOM 0 HB3 GLU A 50 0.223 5.651 -10.079 1.00 1.00 H new ATOM 0 HG2 GLU A 50 -1.253 7.652 -11.862 1.00 1.00 H new ATOM 0 HG3 GLU A 50 0.475 7.383 -11.967 1.00 1.00 H new ATOM 760 N GLU A 51 -1.818 3.711 -9.686 1.00 1.00 N ATOM 761 CA GLU A 51 -2.123 2.375 -10.172 1.00 1.00 C ATOM 762 C GLU A 51 -3.610 2.077 -10.043 1.00 1.00 C ATOM 763 O GLU A 51 -4.230 1.557 -10.970 1.00 1.00 O ATOM 764 CB GLU A 51 -1.326 1.342 -9.373 1.00 1.00 C ATOM 765 CG GLU A 51 -1.456 -0.033 -10.035 1.00 1.00 C ATOM 766 CD GLU A 51 -0.671 -0.057 -11.341 1.00 1.00 C ATOM 767 OE1 GLU A 51 0.025 0.910 -11.609 1.00 1.00 O ATOM 768 OE2 GLU A 51 -0.775 -1.040 -12.054 1.00 1.00 O ATOM 0 H GLU A 51 -1.259 3.738 -8.833 1.00 1.00 H new ATOM 0 HA GLU A 51 -1.847 2.321 -11.225 1.00 1.00 H new ATOM 0 HB2 GLU A 51 -0.277 1.635 -9.324 1.00 1.00 H new ATOM 0 HB3 GLU A 51 -1.693 1.299 -8.347 1.00 1.00 H new ATOM 0 HG2 GLU A 51 -1.084 -0.806 -9.363 1.00 1.00 H new ATOM 0 HG3 GLU A 51 -2.506 -0.256 -10.227 1.00 1.00 H new ATOM 775 N PHE A 52 -4.178 2.402 -8.886 1.00 1.00 N ATOM 776 CA PHE A 52 -5.596 2.158 -8.643 1.00 1.00 C ATOM 777 C PHE A 52 -6.425 3.370 -9.050 1.00 1.00 C ATOM 778 O PHE A 52 -7.656 3.330 -9.025 1.00 1.00 O ATOM 779 CB PHE A 52 -5.817 1.852 -7.160 1.00 1.00 C ATOM 780 CG PHE A 52 -5.284 0.477 -6.838 1.00 1.00 C ATOM 781 CD1 PHE A 52 -3.925 0.307 -6.553 1.00 1.00 C ATOM 782 CD2 PHE A 52 -6.143 -0.625 -6.826 1.00 1.00 C ATOM 783 CE1 PHE A 52 -3.425 -0.957 -6.249 1.00 1.00 C ATOM 784 CE2 PHE A 52 -5.644 -1.897 -6.521 1.00 1.00 C ATOM 785 CZ PHE A 52 -4.282 -2.064 -6.236 1.00 1.00 C ATOM 0 H PHE A 52 -3.682 2.833 -8.106 1.00 1.00 H new ATOM 0 HA PHE A 52 -5.913 1.304 -9.242 1.00 1.00 H new ATOM 0 HB2 PHE A 52 -5.315 2.600 -6.546 1.00 1.00 H new ATOM 0 HB3 PHE A 52 -6.879 1.905 -6.922 1.00 1.00 H new ATOM 0 HD1 PHE A 52 -3.261 1.159 -6.569 1.00 1.00 H new ATOM 0 HD2 PHE A 52 -7.191 -0.496 -7.052 1.00 1.00 H new ATOM 0 HE1 PHE A 52 -2.376 -1.083 -6.023 1.00 1.00 H new ATOM 0 HE2 PHE A 52 -6.308 -2.749 -6.505 1.00 1.00 H new ATOM 0 HZ PHE A 52 -3.894 -3.045 -6.007 1.00 1.00 H new ATOM 795 N GLY A 53 -5.745 4.444 -9.437 1.00 1.00 N ATOM 796 CA GLY A 53 -6.432 5.655 -9.863 1.00 1.00 C ATOM 797 C GLY A 53 -7.400 6.137 -8.793 1.00 1.00 C ATOM 798 O GLY A 53 -8.578 6.366 -9.067 1.00 1.00 O ATOM 0 H GLY A 53 -4.727 4.500 -9.464 1.00 1.00 H new ATOM 0 HA2 GLY A 53 -5.702 6.436 -10.076 1.00 1.00 H new ATOM 0 HA3 GLY A 53 -6.974 5.463 -10.789 1.00 1.00 H new ATOM 802 N ILE A 54 -6.900 6.289 -7.571 1.00 1.00 N ATOM 803 CA ILE A 54 -7.727 6.747 -6.452 1.00 1.00 C ATOM 804 C ILE A 54 -7.093 7.955 -5.773 1.00 1.00 C ATOM 805 O ILE A 54 -6.105 8.505 -6.260 1.00 1.00 O ATOM 806 CB ILE A 54 -7.899 5.617 -5.436 1.00 1.00 C ATOM 807 CG1 ILE A 54 -6.520 5.121 -4.982 1.00 1.00 C ATOM 808 CG2 ILE A 54 -8.672 4.460 -6.078 1.00 1.00 C ATOM 809 CD1 ILE A 54 -6.670 4.155 -3.800 1.00 1.00 C ATOM 0 H ILE A 54 -5.927 6.103 -7.327 1.00 1.00 H new ATOM 0 HA ILE A 54 -8.703 7.038 -6.841 1.00 1.00 H new ATOM 0 HB ILE A 54 -8.454 5.988 -4.574 1.00 1.00 H new ATOM 0 HG12 ILE A 54 -6.015 4.621 -5.808 1.00 1.00 H new ATOM 0 HG13 ILE A 54 -5.897 5.968 -4.693 1.00 1.00 H new ATOM 0 HG21 ILE A 54 -8.793 3.656 -5.352 1.00 1.00 H new ATOM 0 HG22 ILE A 54 -9.653 4.811 -6.398 1.00 1.00 H new ATOM 0 HG23 ILE A 54 -8.120 4.089 -6.942 1.00 1.00 H new ATOM 0 HD11 ILE A 54 -5.685 3.809 -3.486 1.00 1.00 H new ATOM 0 HD12 ILE A 54 -7.156 4.668 -2.970 1.00 1.00 H new ATOM 0 HD13 ILE A 54 -7.275 3.301 -4.103 1.00 1.00 H new ATOM 821 N ASN A 55 -7.670 8.365 -4.648 1.00 1.00 N ATOM 822 CA ASN A 55 -7.158 9.513 -3.908 1.00 1.00 C ATOM 823 C ASN A 55 -7.474 9.373 -2.426 1.00 1.00 C ATOM 824 O ASN A 55 -8.635 9.430 -2.021 1.00 1.00 O ATOM 825 CB ASN A 55 -7.784 10.801 -4.443 1.00 1.00 C ATOM 826 CG ASN A 55 -9.285 10.802 -4.170 1.00 1.00 C ATOM 827 OD1 ASN A 55 -9.736 11.371 -3.176 1.00 1.00 O ATOM 828 ND2 ASN A 55 -10.090 10.193 -4.998 1.00 1.00 N ATOM 0 H ASN A 55 -8.488 7.922 -4.230 1.00 1.00 H new ATOM 0 HA ASN A 55 -6.077 9.554 -4.038 1.00 1.00 H new ATOM 0 HB2 ASN A 55 -7.319 11.666 -3.969 1.00 1.00 H new ATOM 0 HB3 ASN A 55 -7.600 10.887 -5.514 1.00 1.00 H new ATOM 0 HD21 ASN A 55 -11.095 10.188 -4.822 1.00 1.00 H new ATOM 0 HD22 ASN A 55 -9.714 9.722 -5.821 1.00 1.00 H new ATOM 835 N VAL A 56 -6.432 9.184 -1.617 1.00 1.00 N ATOM 836 CA VAL A 56 -6.600 9.031 -0.170 1.00 1.00 C ATOM 837 C VAL A 56 -5.602 9.905 0.581 1.00 1.00 C ATOM 838 O VAL A 56 -4.436 10.006 0.197 1.00 1.00 O ATOM 839 CB VAL A 56 -6.400 7.570 0.225 1.00 1.00 C ATOM 840 CG1 VAL A 56 -4.978 7.134 -0.133 1.00 1.00 C ATOM 841 CG2 VAL A 56 -6.617 7.420 1.731 1.00 1.00 C ATOM 0 H VAL A 56 -5.465 9.133 -1.937 1.00 1.00 H new ATOM 0 HA VAL A 56 -7.610 9.344 0.095 1.00 1.00 H new ATOM 0 HB VAL A 56 -7.115 6.945 -0.311 1.00 1.00 H new ATOM 0 HG11 VAL A 56 -4.835 6.091 0.149 1.00 1.00 H new ATOM 0 HG12 VAL A 56 -4.823 7.244 -1.206 1.00 1.00 H new ATOM 0 HG13 VAL A 56 -4.261 7.756 0.403 1.00 1.00 H new ATOM 0 HG21 VAL A 56 -6.475 6.378 2.017 1.00 1.00 H new ATOM 0 HG22 VAL A 56 -5.901 8.044 2.266 1.00 1.00 H new ATOM 0 HG23 VAL A 56 -7.630 7.731 1.985 1.00 1.00 H new ATOM 851 N ASP A 57 -6.070 10.536 1.651 1.00 1.00 N ATOM 852 CA ASP A 57 -5.215 11.401 2.454 1.00 1.00 C ATOM 853 C ASP A 57 -4.296 10.568 3.343 1.00 1.00 C ATOM 854 O ASP A 57 -4.674 9.490 3.803 1.00 1.00 O ATOM 855 CB ASP A 57 -6.071 12.324 3.323 1.00 1.00 C ATOM 856 CG ASP A 57 -6.797 13.338 2.446 1.00 1.00 C ATOM 857 OD1 ASP A 57 -6.405 13.490 1.301 1.00 1.00 O ATOM 858 OD2 ASP A 57 -7.735 13.948 2.932 1.00 1.00 O ATOM 0 H ASP A 57 -7.032 10.466 1.982 1.00 1.00 H new ATOM 0 HA ASP A 57 -4.604 12.003 1.781 1.00 1.00 H new ATOM 0 HB2 ASP A 57 -6.794 11.737 3.890 1.00 1.00 H new ATOM 0 HB3 ASP A 57 -5.442 12.841 4.048 1.00 1.00 H new ATOM 863 N GLU A 58 -3.091 11.073 3.579 1.00 1.00 N ATOM 864 CA GLU A 58 -2.127 10.364 4.411 1.00 1.00 C ATOM 865 C GLU A 58 -2.656 10.221 5.836 1.00 1.00 C ATOM 866 O GLU A 58 -2.404 9.219 6.506 1.00 1.00 O ATOM 867 CB GLU A 58 -0.798 11.123 4.433 1.00 1.00 C ATOM 868 CG GLU A 58 0.279 10.258 5.095 1.00 1.00 C ATOM 869 CD GLU A 58 0.629 9.085 4.188 1.00 1.00 C ATOM 870 OE1 GLU A 58 0.371 9.183 2.999 1.00 1.00 O ATOM 871 OE2 GLU A 58 1.150 8.103 4.693 1.00 1.00 O ATOM 0 H GLU A 58 -2.760 11.964 3.209 1.00 1.00 H new ATOM 0 HA GLU A 58 -1.971 9.371 3.990 1.00 1.00 H new ATOM 0 HB2 GLU A 58 -0.498 11.380 3.417 1.00 1.00 H new ATOM 0 HB3 GLU A 58 -0.912 12.060 4.979 1.00 1.00 H new ATOM 0 HG2 GLU A 58 1.169 10.856 5.291 1.00 1.00 H new ATOM 0 HG3 GLU A 58 -0.077 9.891 6.058 1.00 1.00 H new ATOM 878 N ASP A 59 -3.389 11.231 6.294 1.00 1.00 N ATOM 879 CA ASP A 59 -3.947 11.208 7.642 1.00 1.00 C ATOM 880 C ASP A 59 -4.911 10.036 7.801 1.00 1.00 C ATOM 881 O ASP A 59 -4.925 9.363 8.831 1.00 1.00 O ATOM 882 CB ASP A 59 -4.681 12.519 7.924 1.00 1.00 C ATOM 883 CG ASP A 59 -3.677 13.653 8.099 1.00 1.00 C ATOM 884 OD1 ASP A 59 -2.496 13.364 8.201 1.00 1.00 O ATOM 885 OD2 ASP A 59 -4.104 14.796 8.128 1.00 1.00 O ATOM 0 H ASP A 59 -3.609 12.070 5.757 1.00 1.00 H new ATOM 0 HA ASP A 59 -3.130 11.090 8.354 1.00 1.00 H new ATOM 0 HB2 ASP A 59 -5.361 12.748 7.104 1.00 1.00 H new ATOM 0 HB3 ASP A 59 -5.289 12.419 8.823 1.00 1.00 H new ATOM 890 N LYS A 60 -5.715 9.796 6.771 1.00 1.00 N ATOM 891 CA LYS A 60 -6.673 8.700 6.801 1.00 1.00 C ATOM 892 C LYS A 60 -5.958 7.354 6.825 1.00 1.00 C ATOM 893 O LYS A 60 -6.360 6.435 7.538 1.00 1.00 O ATOM 894 CB LYS A 60 -7.590 8.772 5.587 1.00 1.00 C ATOM 895 CG LYS A 60 -8.556 9.944 5.756 1.00 1.00 C ATOM 896 CD LYS A 60 -9.402 10.082 4.492 1.00 1.00 C ATOM 897 CE LYS A 60 -10.328 8.863 4.326 1.00 1.00 C ATOM 898 NZ LYS A 60 -9.602 7.792 3.590 1.00 1.00 N ATOM 0 H LYS A 60 -5.722 10.343 5.910 1.00 1.00 H new ATOM 0 HA LYS A 60 -7.268 8.794 7.710 1.00 1.00 H new ATOM 0 HB2 LYS A 60 -7.001 8.899 4.679 1.00 1.00 H new ATOM 0 HB3 LYS A 60 -8.145 7.840 5.480 1.00 1.00 H new ATOM 0 HG2 LYS A 60 -9.198 9.780 6.622 1.00 1.00 H new ATOM 0 HG3 LYS A 60 -8.002 10.864 5.940 1.00 1.00 H new ATOM 0 HD2 LYS A 60 -9.997 10.994 4.544 1.00 1.00 H new ATOM 0 HD3 LYS A 60 -8.753 10.174 3.621 1.00 1.00 H new ATOM 0 HE2 LYS A 60 -10.646 8.498 5.302 1.00 1.00 H new ATOM 0 HE3 LYS A 60 -11.229 9.147 3.783 1.00 1.00 H new ATOM 0 HZ1 LYS A 60 -9.998 7.698 2.633 1.00 1.00 H new ATOM 0 HZ2 LYS A 60 -8.594 8.038 3.524 1.00 1.00 H new ATOM 0 HZ3 LYS A 60 -9.706 6.890 4.098 1.00 1.00 H new ATOM 912 N ALA A 61 -4.898 7.244 6.029 1.00 1.00 N ATOM 913 CA ALA A 61 -4.135 6.004 5.956 1.00 1.00 C ATOM 914 C ALA A 61 -3.235 5.842 7.178 1.00 1.00 C ATOM 915 O ALA A 61 -2.201 5.176 7.117 1.00 1.00 O ATOM 916 CB ALA A 61 -3.281 5.990 4.689 1.00 1.00 C ATOM 0 H ALA A 61 -4.551 7.993 5.430 1.00 1.00 H new ATOM 0 HA ALA A 61 -4.841 5.174 5.932 1.00 1.00 H new ATOM 0 HB1 ALA A 61 -2.714 5.060 4.642 1.00 1.00 H new ATOM 0 HB2 ALA A 61 -3.927 6.066 3.814 1.00 1.00 H new ATOM 0 HB3 ALA A 61 -2.592 6.834 4.705 1.00 1.00 H new ATOM 922 N GLN A 62 -3.637 6.453 8.283 1.00 1.00 N ATOM 923 CA GLN A 62 -2.865 6.373 9.522 1.00 1.00 C ATOM 924 C GLN A 62 -3.129 5.052 10.238 1.00 1.00 C ATOM 925 O GLN A 62 -2.270 4.542 10.957 1.00 1.00 O ATOM 926 CB GLN A 62 -3.231 7.545 10.442 1.00 1.00 C ATOM 927 CG GLN A 62 -2.543 8.822 9.948 1.00 1.00 C ATOM 928 CD GLN A 62 -1.063 8.788 10.311 1.00 1.00 C ATOM 929 OE1 GLN A 62 -0.710 8.464 11.446 1.00 1.00 O ATOM 930 NE2 GLN A 62 -0.172 9.107 9.414 1.00 1.00 N ATOM 0 H GLN A 62 -4.490 7.009 8.351 1.00 1.00 H new ATOM 0 HA GLN A 62 -1.805 6.426 9.272 1.00 1.00 H new ATOM 0 HB2 GLN A 62 -4.312 7.685 10.457 1.00 1.00 H new ATOM 0 HB3 GLN A 62 -2.924 7.327 11.465 1.00 1.00 H new ATOM 0 HG2 GLN A 62 -2.659 8.914 8.868 1.00 1.00 H new ATOM 0 HG3 GLN A 62 -3.016 9.696 10.395 1.00 1.00 H new ATOM 0 HE21 GLN A 62 -0.467 9.375 8.475 1.00 1.00 H new ATOM 0 HE22 GLN A 62 0.820 9.089 9.651 1.00 1.00 H new ATOM 939 N ASP A 63 -4.320 4.504 10.035 1.00 1.00 N ATOM 940 CA ASP A 63 -4.687 3.246 10.668 1.00 1.00 C ATOM 941 C ASP A 63 -4.001 2.075 9.971 1.00 1.00 C ATOM 942 O ASP A 63 -4.144 0.924 10.383 1.00 1.00 O ATOM 943 CB ASP A 63 -6.204 3.055 10.618 1.00 1.00 C ATOM 944 CG ASP A 63 -6.888 4.064 11.535 1.00 1.00 C ATOM 945 OD1 ASP A 63 -6.194 4.684 12.324 1.00 1.00 O ATOM 946 OD2 ASP A 63 -8.096 4.203 11.434 1.00 1.00 O ATOM 0 H ASP A 63 -5.044 4.908 9.441 1.00 1.00 H new ATOM 0 HA ASP A 63 -4.361 3.277 11.708 1.00 1.00 H new ATOM 0 HB2 ASP A 63 -6.561 3.180 9.596 1.00 1.00 H new ATOM 0 HB3 ASP A 63 -6.461 2.041 10.924 1.00 1.00 H new ATOM 951 N ILE A 64 -3.260 2.377 8.909 1.00 1.00 N ATOM 952 CA ILE A 64 -2.561 1.343 8.158 1.00 1.00 C ATOM 953 C ILE A 64 -1.309 0.904 8.899 1.00 1.00 C ATOM 954 O ILE A 64 -0.491 1.732 9.303 1.00 1.00 O ATOM 955 CB ILE A 64 -2.169 1.878 6.780 1.00 1.00 C ATOM 956 CG1 ILE A 64 -3.416 2.417 6.074 1.00 1.00 C ATOM 957 CG2 ILE A 64 -1.555 0.756 5.949 1.00 1.00 C ATOM 958 CD1 ILE A 64 -4.493 1.325 5.953 1.00 1.00 C ATOM 0 H ILE A 64 -3.129 3.323 8.552 1.00 1.00 H new ATOM 0 HA ILE A 64 -3.227 0.488 8.045 1.00 1.00 H new ATOM 0 HB ILE A 64 -1.439 2.679 6.895 1.00 1.00 H new ATOM 0 HG12 ILE A 64 -3.814 3.267 6.629 1.00 1.00 H new ATOM 0 HG13 ILE A 64 -3.148 2.781 5.082 1.00 1.00 H new ATOM 0 HG21 ILE A 64 -1.277 1.140 4.968 1.00 1.00 H new ATOM 0 HG22 ILE A 64 -0.668 0.373 6.454 1.00 1.00 H new ATOM 0 HG23 ILE A 64 -2.281 -0.048 5.831 1.00 1.00 H new ATOM 0 HD11 ILE A 64 -5.369 1.732 5.448 1.00 1.00 H new ATOM 0 HD12 ILE A 64 -4.099 0.488 5.377 1.00 1.00 H new ATOM 0 HD13 ILE A 64 -4.775 0.980 6.948 1.00 1.00 H new ATOM 970 N SER A 65 -1.164 -0.407 9.074 1.00 1.00 N ATOM 971 CA SER A 65 -0.004 -0.964 9.771 1.00 1.00 C ATOM 972 C SER A 65 0.628 -2.075 8.946 1.00 1.00 C ATOM 973 O SER A 65 1.825 -2.335 9.054 1.00 1.00 O ATOM 974 CB SER A 65 -0.431 -1.515 11.132 1.00 1.00 C ATOM 975 OG SER A 65 0.682 -2.151 11.744 1.00 1.00 O ATOM 0 H SER A 65 -1.832 -1.103 8.744 1.00 1.00 H new ATOM 0 HA SER A 65 0.730 -0.171 9.915 1.00 1.00 H new ATOM 0 HB2 SER A 65 -0.799 -0.708 11.766 1.00 1.00 H new ATOM 0 HB3 SER A 65 -1.250 -2.224 11.011 1.00 1.00 H new ATOM 0 HG SER A 65 0.416 -2.506 12.618 1.00 1.00 H new ATOM 981 N THR A 66 -0.185 -2.732 8.118 1.00 1.00 N ATOM 982 CA THR A 66 0.300 -3.826 7.271 1.00 1.00 C ATOM 983 C THR A 66 -0.212 -3.665 5.845 1.00 1.00 C ATOM 984 O THR A 66 -1.017 -2.779 5.560 1.00 1.00 O ATOM 985 CB THR A 66 -0.164 -5.171 7.833 1.00 1.00 C ATOM 986 OG1 THR A 66 -1.581 -5.240 7.789 1.00 1.00 O ATOM 987 CG2 THR A 66 0.315 -5.324 9.277 1.00 1.00 C ATOM 0 H THR A 66 -1.179 -2.528 8.015 1.00 1.00 H new ATOM 0 HA THR A 66 1.390 -3.795 7.261 1.00 1.00 H new ATOM 0 HB THR A 66 0.257 -5.976 7.231 1.00 1.00 H new ATOM 0 HG1 THR A 66 -1.878 -6.102 8.147 1.00 1.00 H new ATOM 0 HG21 THR A 66 -0.019 -6.284 9.671 1.00 1.00 H new ATOM 0 HG22 THR A 66 1.404 -5.279 9.306 1.00 1.00 H new ATOM 0 HG23 THR A 66 -0.098 -4.519 9.885 1.00 1.00 H new ATOM 995 N ILE A 67 0.265 -4.525 4.954 1.00 1.00 N ATOM 996 CA ILE A 67 -0.145 -4.464 3.556 1.00 1.00 C ATOM 997 C ILE A 67 -1.640 -4.699 3.433 1.00 1.00 C ATOM 998 O ILE A 67 -2.326 -3.999 2.691 1.00 1.00 O ATOM 999 CB ILE A 67 0.606 -5.519 2.743 1.00 1.00 C ATOM 1000 CG1 ILE A 67 2.118 -5.349 2.940 1.00 1.00 C ATOM 1001 CG2 ILE A 67 0.255 -5.391 1.268 1.00 1.00 C ATOM 1002 CD1 ILE A 67 2.562 -3.929 2.548 1.00 1.00 C ATOM 0 H ILE A 67 0.930 -5.267 5.171 1.00 1.00 H new ATOM 0 HA ILE A 67 0.092 -3.473 3.169 1.00 1.00 H new ATOM 0 HB ILE A 67 0.311 -6.510 3.089 1.00 1.00 H new ATOM 0 HG12 ILE A 67 2.378 -5.542 3.981 1.00 1.00 H new ATOM 0 HG13 ILE A 67 2.653 -6.082 2.336 1.00 1.00 H new ATOM 0 HG21 ILE A 67 0.795 -6.147 0.698 1.00 1.00 H new ATOM 0 HG22 ILE A 67 -0.817 -5.534 1.135 1.00 1.00 H new ATOM 0 HG23 ILE A 67 0.535 -4.400 0.912 1.00 1.00 H new ATOM 0 HD11 ILE A 67 3.637 -3.830 2.695 1.00 1.00 H new ATOM 0 HD12 ILE A 67 2.321 -3.749 1.500 1.00 1.00 H new ATOM 0 HD13 ILE A 67 2.042 -3.200 3.170 1.00 1.00 H new ATOM 1014 N GLN A 68 -2.146 -5.687 4.157 1.00 1.00 N ATOM 1015 CA GLN A 68 -3.571 -5.991 4.105 1.00 1.00 C ATOM 1016 C GLN A 68 -4.402 -4.753 4.447 1.00 1.00 C ATOM 1017 O GLN A 68 -5.367 -4.432 3.753 1.00 1.00 O ATOM 1018 CB GLN A 68 -3.891 -7.132 5.101 1.00 1.00 C ATOM 1019 CG GLN A 68 -4.040 -8.459 4.356 1.00 1.00 C ATOM 1020 CD GLN A 68 -5.391 -8.497 3.654 1.00 1.00 C ATOM 1021 OE1 GLN A 68 -5.537 -7.902 2.504 1.00 1.00 O flip ATOM 1022 NE2 GLN A 68 -6.347 -9.069 4.177 1.00 1.00 N flip ATOM 0 H GLN A 68 -1.602 -6.285 4.779 1.00 1.00 H new ATOM 0 HA GLN A 68 -3.826 -6.306 3.093 1.00 1.00 H new ATOM 0 HB2 GLN A 68 -3.096 -7.211 5.843 1.00 1.00 H new ATOM 0 HB3 GLN A 68 -4.810 -6.905 5.642 1.00 1.00 H new ATOM 0 HG2 GLN A 68 -3.236 -8.572 3.628 1.00 1.00 H new ATOM 0 HG3 GLN A 68 -3.957 -9.292 5.054 1.00 1.00 H new ATOM 0 HE21 GLN A 68 -6.232 -9.535 5.077 1.00 1.00 H new ATOM 0 HE22 GLN A 68 -7.254 -9.077 3.710 1.00 1.00 H new ATOM 1031 N GLN A 69 -4.024 -4.070 5.518 1.00 1.00 N ATOM 1032 CA GLN A 69 -4.753 -2.886 5.938 1.00 1.00 C ATOM 1033 C GLN A 69 -4.821 -1.881 4.796 1.00 1.00 C ATOM 1034 O GLN A 69 -5.861 -1.264 4.562 1.00 1.00 O ATOM 1035 CB GLN A 69 -4.075 -2.249 7.154 1.00 1.00 C ATOM 1036 CG GLN A 69 -4.173 -3.203 8.347 1.00 1.00 C ATOM 1037 CD GLN A 69 -3.640 -2.521 9.601 1.00 1.00 C ATOM 1038 OE1 GLN A 69 -3.335 -1.330 9.577 1.00 1.00 O ATOM 1039 NE2 GLN A 69 -3.507 -3.208 10.703 1.00 1.00 N ATOM 0 H GLN A 69 -3.226 -4.313 6.105 1.00 1.00 H new ATOM 0 HA GLN A 69 -5.766 -3.180 6.214 1.00 1.00 H new ATOM 0 HB2 GLN A 69 -3.030 -2.034 6.931 1.00 1.00 H new ATOM 0 HB3 GLN A 69 -4.552 -1.299 7.394 1.00 1.00 H new ATOM 0 HG2 GLN A 69 -5.210 -3.504 8.499 1.00 1.00 H new ATOM 0 HG3 GLN A 69 -3.604 -4.110 8.146 1.00 1.00 H new ATOM 0 HE21 GLN A 69 -3.760 -4.196 10.722 1.00 1.00 H new ATOM 0 HE22 GLN A 69 -3.150 -2.757 11.545 1.00 1.00 H new ATOM 1048 N ALA A 70 -3.708 -1.721 4.088 1.00 1.00 N ATOM 1049 CA ALA A 70 -3.657 -0.789 2.970 1.00 1.00 C ATOM 1050 C ALA A 70 -4.573 -1.257 1.843 1.00 1.00 C ATOM 1051 O ALA A 70 -5.261 -0.456 1.214 1.00 1.00 O ATOM 1052 CB ALA A 70 -2.220 -0.674 2.452 1.00 1.00 C ATOM 0 H ALA A 70 -2.837 -2.220 4.267 1.00 1.00 H new ATOM 0 HA ALA A 70 -3.996 0.187 3.316 1.00 1.00 H new ATOM 0 HB1 ALA A 70 -2.189 0.025 1.616 1.00 1.00 H new ATOM 0 HB2 ALA A 70 -1.573 -0.312 3.251 1.00 1.00 H new ATOM 0 HB3 ALA A 70 -1.874 -1.653 2.120 1.00 1.00 H new ATOM 1058 N ALA A 71 -4.572 -2.563 1.592 1.00 1.00 N ATOM 1059 CA ALA A 71 -5.404 -3.130 0.536 1.00 1.00 C ATOM 1060 C ALA A 71 -6.882 -2.981 0.874 1.00 1.00 C ATOM 1061 O ALA A 71 -7.707 -2.728 -0.005 1.00 1.00 O ATOM 1062 CB ALA A 71 -5.069 -4.609 0.342 1.00 1.00 C ATOM 0 H ALA A 71 -4.009 -3.244 2.101 1.00 1.00 H new ATOM 0 HA ALA A 71 -5.200 -2.588 -0.387 1.00 1.00 H new ATOM 0 HB1 ALA A 71 -5.695 -5.023 -0.448 1.00 1.00 H new ATOM 0 HB2 ALA A 71 -4.020 -4.711 0.065 1.00 1.00 H new ATOM 0 HB3 ALA A 71 -5.253 -5.149 1.271 1.00 1.00 H new ATOM 1068 N ASP A 72 -7.211 -3.143 2.151 1.00 1.00 N ATOM 1069 CA ASP A 72 -8.595 -3.029 2.595 1.00 1.00 C ATOM 1070 C ASP A 72 -9.135 -1.630 2.318 1.00 1.00 C ATOM 1071 O ASP A 72 -10.266 -1.465 1.864 1.00 1.00 O ATOM 1072 CB ASP A 72 -8.686 -3.324 4.094 1.00 1.00 C ATOM 1073 CG ASP A 72 -10.146 -3.340 4.533 1.00 1.00 C ATOM 1074 OD1 ASP A 72 -10.993 -3.022 3.716 1.00 1.00 O ATOM 1075 OD2 ASP A 72 -10.395 -3.667 5.682 1.00 1.00 O ATOM 0 H ASP A 72 -6.543 -3.352 2.893 1.00 1.00 H new ATOM 0 HA ASP A 72 -9.195 -3.753 2.043 1.00 1.00 H new ATOM 0 HB2 ASP A 72 -8.221 -4.285 4.313 1.00 1.00 H new ATOM 0 HB3 ASP A 72 -8.137 -2.569 4.656 1.00 1.00 H new ATOM 1080 N VAL A 73 -8.321 -0.622 2.598 1.00 1.00 N ATOM 1081 CA VAL A 73 -8.728 0.757 2.365 1.00 1.00 C ATOM 1082 C VAL A 73 -8.815 1.045 0.870 1.00 1.00 C ATOM 1083 O VAL A 73 -9.763 1.677 0.403 1.00 1.00 O ATOM 1084 CB VAL A 73 -7.730 1.716 3.015 1.00 1.00 C ATOM 1085 CG1 VAL A 73 -8.090 3.160 2.652 1.00 1.00 C ATOM 1086 CG2 VAL A 73 -7.773 1.544 4.536 1.00 1.00 C ATOM 0 H VAL A 73 -7.383 -0.731 2.983 1.00 1.00 H new ATOM 0 HA VAL A 73 -9.712 0.904 2.810 1.00 1.00 H new ATOM 0 HB VAL A 73 -6.727 1.493 2.652 1.00 1.00 H new ATOM 0 HG11 VAL A 73 -7.377 3.841 3.117 1.00 1.00 H new ATOM 0 HG12 VAL A 73 -8.056 3.282 1.569 1.00 1.00 H new ATOM 0 HG13 VAL A 73 -9.094 3.386 3.011 1.00 1.00 H new ATOM 0 HG21 VAL A 73 -7.062 2.227 5.000 1.00 1.00 H new ATOM 0 HG22 VAL A 73 -8.777 1.764 4.899 1.00 1.00 H new ATOM 0 HG23 VAL A 73 -7.511 0.518 4.794 1.00 1.00 H new ATOM 1096 N ILE A 74 -7.810 0.592 0.125 1.00 1.00 N ATOM 1097 CA ILE A 74 -7.782 0.827 -1.313 1.00 1.00 C ATOM 1098 C ILE A 74 -8.941 0.126 -2.010 1.00 1.00 C ATOM 1099 O ILE A 74 -9.775 0.774 -2.631 1.00 1.00 O ATOM 1100 CB ILE A 74 -6.460 0.311 -1.897 1.00 1.00 C ATOM 1101 CG1 ILE A 74 -5.302 1.168 -1.379 1.00 1.00 C ATOM 1102 CG2 ILE A 74 -6.504 0.382 -3.429 1.00 1.00 C ATOM 1103 CD1 ILE A 74 -3.974 0.466 -1.679 1.00 1.00 C ATOM 0 H ILE A 74 -7.015 0.067 0.488 1.00 1.00 H new ATOM 0 HA ILE A 74 -7.873 1.900 -1.480 1.00 1.00 H new ATOM 0 HB ILE A 74 -6.313 -0.724 -1.590 1.00 1.00 H new ATOM 0 HG12 ILE A 74 -5.322 2.150 -1.852 1.00 1.00 H new ATOM 0 HG13 ILE A 74 -5.406 1.329 -0.306 1.00 1.00 H new ATOM 0 HG21 ILE A 74 -5.563 0.014 -3.837 1.00 1.00 H new ATOM 0 HG22 ILE A 74 -7.325 -0.233 -3.798 1.00 1.00 H new ATOM 0 HG23 ILE A 74 -6.656 1.415 -3.741 1.00 1.00 H new ATOM 0 HD11 ILE A 74 -3.149 1.076 -1.311 1.00 1.00 H new ATOM 0 HD12 ILE A 74 -3.956 -0.506 -1.185 1.00 1.00 H new ATOM 0 HD13 ILE A 74 -3.871 0.328 -2.755 1.00 1.00 H new ATOM 1115 N GLU A 75 -8.988 -1.195 -1.895 1.00 1.00 N ATOM 1116 CA GLU A 75 -10.048 -1.969 -2.530 1.00 1.00 C ATOM 1117 C GLU A 75 -11.416 -1.409 -2.163 1.00 1.00 C ATOM 1118 O GLU A 75 -12.359 -1.485 -2.950 1.00 1.00 O ATOM 1119 CB GLU A 75 -9.951 -3.433 -2.086 1.00 1.00 C ATOM 1120 CG GLU A 75 -10.332 -3.552 -0.596 1.00 1.00 C ATOM 1121 CD GLU A 75 -11.835 -3.781 -0.435 1.00 1.00 C ATOM 1122 OE1 GLU A 75 -12.548 -3.631 -1.414 1.00 1.00 O ATOM 1123 OE2 GLU A 75 -12.250 -4.096 0.668 1.00 1.00 O ATOM 0 H GLU A 75 -8.310 -1.750 -1.372 1.00 1.00 H new ATOM 0 HA GLU A 75 -9.927 -1.906 -3.611 1.00 1.00 H new ATOM 0 HB2 GLU A 75 -10.614 -4.051 -2.691 1.00 1.00 H new ATOM 0 HB3 GLU A 75 -8.938 -3.804 -2.243 1.00 1.00 H new ATOM 0 HG2 GLU A 75 -9.783 -4.377 -0.141 1.00 1.00 H new ATOM 0 HG3 GLU A 75 -10.039 -2.644 -0.068 1.00 1.00 H new ATOM 1130 N GLY A 76 -11.517 -0.845 -0.965 1.00 1.00 N ATOM 1131 CA GLY A 76 -12.774 -0.272 -0.503 1.00 1.00 C ATOM 1132 C GLY A 76 -13.199 0.890 -1.396 1.00 1.00 C ATOM 1133 O GLY A 76 -14.389 1.139 -1.589 1.00 1.00 O ATOM 0 H GLY A 76 -10.747 -0.773 -0.299 1.00 1.00 H new ATOM 0 HA2 GLY A 76 -13.549 -1.038 -0.501 1.00 1.00 H new ATOM 0 HA3 GLY A 76 -12.665 0.074 0.525 1.00 1.00 H new ATOM 1137 N LEU A 77 -12.219 1.605 -1.928 1.00 1.00 N ATOM 1138 CA LEU A 77 -12.497 2.738 -2.799 1.00 1.00 C ATOM 1139 C LEU A 77 -12.997 2.273 -4.159 1.00 1.00 C ATOM 1140 O LEU A 77 -13.881 2.888 -4.747 1.00 1.00 O ATOM 1141 CB LEU A 77 -11.236 3.584 -2.974 1.00 1.00 C ATOM 1142 CG LEU A 77 -10.872 4.238 -1.632 1.00 1.00 C ATOM 1143 CD1 LEU A 77 -9.470 4.839 -1.727 1.00 1.00 C ATOM 1144 CD2 LEU A 77 -11.888 5.345 -1.270 1.00 1.00 C ATOM 0 H LEU A 77 -11.228 1.422 -1.773 1.00 1.00 H new ATOM 0 HA LEU A 77 -13.277 3.340 -2.334 1.00 1.00 H new ATOM 0 HB2 LEU A 77 -10.412 2.961 -3.323 1.00 1.00 H new ATOM 0 HB3 LEU A 77 -11.400 4.350 -3.732 1.00 1.00 H new ATOM 0 HG LEU A 77 -10.898 3.477 -0.852 1.00 1.00 H new ATOM 0 HD11 LEU A 77 -9.208 5.304 -0.777 1.00 1.00 H new ATOM 0 HD12 LEU A 77 -8.751 4.052 -1.956 1.00 1.00 H new ATOM 0 HD13 LEU A 77 -9.449 5.590 -2.516 1.00 1.00 H new ATOM 0 HD21 LEU A 77 -11.612 5.795 -0.316 1.00 1.00 H new ATOM 0 HD22 LEU A 77 -11.885 6.110 -2.047 1.00 1.00 H new ATOM 0 HD23 LEU A 77 -12.885 4.912 -1.191 1.00 1.00 H new ATOM 1156 N LEU A 78 -12.413 1.195 -4.661 1.00 1.00 N ATOM 1157 CA LEU A 78 -12.791 0.672 -5.968 1.00 1.00 C ATOM 1158 C LEU A 78 -14.258 0.271 -5.989 1.00 1.00 C ATOM 1159 O LEU A 78 -14.977 0.561 -6.945 1.00 1.00 O ATOM 1160 CB LEU A 78 -11.914 -0.546 -6.302 1.00 1.00 C ATOM 1161 CG LEU A 78 -10.550 -0.082 -6.837 1.00 1.00 C ATOM 1162 CD1 LEU A 78 -10.701 0.560 -8.235 1.00 1.00 C ATOM 1163 CD2 LEU A 78 -9.940 0.933 -5.862 1.00 1.00 C ATOM 0 H LEU A 78 -11.680 0.667 -4.188 1.00 1.00 H new ATOM 0 HA LEU A 78 -12.640 1.453 -6.714 1.00 1.00 H new ATOM 0 HB2 LEU A 78 -11.775 -1.159 -5.412 1.00 1.00 H new ATOM 0 HB3 LEU A 78 -12.412 -1.170 -7.044 1.00 1.00 H new ATOM 0 HG LEU A 78 -9.894 -0.948 -6.926 1.00 1.00 H new ATOM 0 HD11 LEU A 78 -9.724 0.881 -8.595 1.00 1.00 H new ATOM 0 HD12 LEU A 78 -11.121 -0.170 -8.927 1.00 1.00 H new ATOM 0 HD13 LEU A 78 -11.365 1.422 -8.170 1.00 1.00 H new ATOM 0 HD21 LEU A 78 -8.972 1.264 -6.239 1.00 1.00 H new ATOM 0 HD22 LEU A 78 -10.605 1.791 -5.767 1.00 1.00 H new ATOM 0 HD23 LEU A 78 -9.809 0.466 -4.886 1.00 1.00 H new ATOM 1175 N GLU A 79 -14.696 -0.389 -4.938 1.00 1.00 N ATOM 1176 CA GLU A 79 -16.082 -0.819 -4.851 1.00 1.00 C ATOM 1177 C GLU A 79 -17.008 0.378 -4.696 1.00 1.00 C ATOM 1178 O GLU A 79 -18.104 0.406 -5.255 1.00 1.00 O ATOM 1179 CB GLU A 79 -16.261 -1.767 -3.672 1.00 1.00 C ATOM 1180 CG GLU A 79 -15.662 -1.148 -2.412 1.00 1.00 C ATOM 1181 CD GLU A 79 -15.812 -2.104 -1.235 1.00 1.00 C ATOM 1182 OE1 GLU A 79 -15.612 -3.292 -1.429 1.00 1.00 O ATOM 1183 OE2 GLU A 79 -16.122 -1.632 -0.155 1.00 1.00 O ATOM 0 H GLU A 79 -14.119 -0.640 -4.135 1.00 1.00 H new ATOM 0 HA GLU A 79 -16.339 -1.339 -5.774 1.00 1.00 H new ATOM 0 HB2 GLU A 79 -17.320 -1.974 -3.518 1.00 1.00 H new ATOM 0 HB3 GLU A 79 -15.778 -2.721 -3.884 1.00 1.00 H new ATOM 0 HG2 GLU A 79 -14.608 -0.922 -2.575 1.00 1.00 H new ATOM 0 HG3 GLU A 79 -16.160 -0.204 -2.189 1.00 1.00 H new ATOM 1190 N LYS A 80 -16.561 1.363 -3.924 1.00 1.00 N ATOM 1191 CA LYS A 80 -17.351 2.576 -3.681 1.00 1.00 C ATOM 1192 C LYS A 80 -16.531 3.828 -3.966 1.00 1.00 C ATOM 1193 O LYS A 80 -16.294 4.659 -3.087 1.00 1.00 O ATOM 1194 CB LYS A 80 -17.808 2.612 -2.235 1.00 1.00 C ATOM 1195 CG LYS A 80 -18.903 3.672 -2.070 1.00 1.00 C ATOM 1196 CD LYS A 80 -19.432 3.642 -0.642 1.00 1.00 C ATOM 1197 CE LYS A 80 -20.572 4.654 -0.493 1.00 1.00 C ATOM 1198 NZ LYS A 80 -20.061 6.023 -0.784 1.00 1.00 N ATOM 0 H LYS A 80 -15.656 1.350 -3.453 1.00 1.00 H new ATOM 0 HA LYS A 80 -18.212 2.555 -4.348 1.00 1.00 H new ATOM 0 HB2 LYS A 80 -18.186 1.634 -1.938 1.00 1.00 H new ATOM 0 HB3 LYS A 80 -16.965 2.840 -1.582 1.00 1.00 H new ATOM 0 HG2 LYS A 80 -18.504 4.660 -2.300 1.00 1.00 H new ATOM 0 HG3 LYS A 80 -19.714 3.484 -2.773 1.00 1.00 H new ATOM 0 HD2 LYS A 80 -19.787 2.641 -0.396 1.00 1.00 H new ATOM 0 HD3 LYS A 80 -18.630 3.877 0.058 1.00 1.00 H new ATOM 0 HE2 LYS A 80 -21.385 4.405 -1.175 1.00 1.00 H new ATOM 0 HE3 LYS A 80 -20.979 4.613 0.517 1.00 1.00 H new ATOM 0 HZ1 LYS A 80 -20.712 6.729 -0.384 1.00 1.00 H new ATOM 0 HZ2 LYS A 80 -19.119 6.140 -0.358 1.00 1.00 H new ATOM 0 HZ3 LYS A 80 -19.995 6.157 -1.813 1.00 1.00 H new ATOM 1212 N LYS A 81 -16.117 3.948 -5.200 1.00 1.00 N ATOM 1213 CA LYS A 81 -15.322 5.103 -5.634 1.00 1.00 C ATOM 1214 C LYS A 81 -16.105 6.394 -5.427 1.00 1.00 C ATOM 1215 O LYS A 81 -17.329 6.417 -5.563 1.00 1.00 O ATOM 1216 CB LYS A 81 -14.947 4.984 -7.112 1.00 1.00 C ATOM 1217 CG LYS A 81 -14.035 3.774 -7.317 1.00 1.00 C ATOM 1218 CD LYS A 81 -13.661 3.646 -8.804 1.00 1.00 C ATOM 1219 CE LYS A 81 -12.474 4.561 -9.129 1.00 1.00 C ATOM 1220 NZ LYS A 81 -12.060 4.354 -10.542 1.00 1.00 N ATOM 0 H LYS A 81 -16.309 3.267 -5.935 1.00 1.00 H new ATOM 0 HA LYS A 81 -14.412 5.123 -5.034 1.00 1.00 H new ATOM 0 HB2 LYS A 81 -15.847 4.880 -7.718 1.00 1.00 H new ATOM 0 HB3 LYS A 81 -14.443 5.892 -7.443 1.00 1.00 H new ATOM 0 HG2 LYS A 81 -13.133 3.881 -6.714 1.00 1.00 H new ATOM 0 HG3 LYS A 81 -14.538 2.867 -6.980 1.00 1.00 H new ATOM 0 HD2 LYS A 81 -13.407 2.612 -9.035 1.00 1.00 H new ATOM 0 HD3 LYS A 81 -14.516 3.911 -9.426 1.00 1.00 H new ATOM 0 HE2 LYS A 81 -12.750 5.603 -8.969 1.00 1.00 H new ATOM 0 HE3 LYS A 81 -11.641 4.345 -8.460 1.00 1.00 H new ATOM 0 HZ1 LYS A 81 -11.255 4.975 -10.762 1.00 1.00 H new ATOM 0 HZ2 LYS A 81 -11.780 3.362 -10.680 1.00 1.00 H new ATOM 0 HZ3 LYS A 81 -12.855 4.581 -11.173 1.00 1.00 H new ATOM 1234 N ALA A 82 -15.393 7.467 -5.096 1.00 1.00 N ATOM 1235 CA ALA A 82 -16.035 8.756 -4.870 1.00 1.00 C ATOM 1236 C ALA A 82 -17.203 8.609 -3.898 1.00 1.00 C ATOM 1237 O ALA A 82 -16.958 8.604 -2.703 1.00 1.00 O ATOM 1238 CB ALA A 82 -16.538 9.328 -6.195 1.00 1.00 C ATOM 1239 OXT ALA A 82 -18.326 8.502 -4.364 1.00 1.00 O ATOM 0 H ALA A 82 -14.380 7.470 -4.979 1.00 1.00 H new ATOM 0 HA ALA A 82 -15.301 9.436 -4.438 1.00 1.00 H new ATOM 0 HB1 ALA A 82 -17.016 10.291 -6.017 1.00 1.00 H new ATOM 0 HB2 ALA A 82 -15.698 9.460 -6.877 1.00 1.00 H new ATOM 0 HB3 ALA A 82 -17.259 8.641 -6.638 1.00 1.00 H new TER 1245 ALA A 82 HETATM 1246 O23 PNS A 101 7.376 10.965 6.717 1.00 1.00 O HETATM 1247 P24 PNS A 101 7.591 12.519 7.086 1.00 1.00 P HETATM 1248 O25 PNS A 101 8.844 12.641 7.863 1.00 1.00 O HETATM 1249 O26 PNS A 101 7.403 13.317 5.855 1.00 1.00 O HETATM 1250 O27 PNS A 101 6.358 12.824 8.074 1.00 1.00 O HETATM 1251 C28 PNS A 101 5.214 13.525 7.602 1.00 1.00 C HETATM 1252 C29 PNS A 101 4.408 14.042 8.801 1.00 1.00 C HETATM 1253 C30 PNS A 101 2.998 14.420 8.353 1.00 1.00 C HETATM 1254 C31 PNS A 101 5.114 15.271 9.389 1.00 1.00 C HETATM 1255 C32 PNS A 101 4.299 12.950 9.861 1.00 1.00 C HETATM 1256 O33 PNS A 101 3.435 13.403 10.888 1.00 1.00 O HETATM 1257 C34 PNS A 101 3.739 11.669 9.248 1.00 1.00 C HETATM 1258 O35 PNS A 101 2.528 11.527 9.079 1.00 1.00 O HETATM 1259 N36 PNS A 101 4.628 10.738 8.919 1.00 1.00 N HETATM 1260 C37 PNS A 101 4.209 9.473 8.326 1.00 1.00 C HETATM 1261 C38 PNS A 101 5.288 8.407 8.532 1.00 1.00 C HETATM 1262 C39 PNS A 101 5.197 7.833 9.942 1.00 1.00 C HETATM 1263 O40 PNS A 101 6.073 8.066 10.775 1.00 1.00 O HETATM 1264 N41 PNS A 101 4.131 7.083 10.201 1.00 1.00 N HETATM 1265 C42 PNS A 101 3.936 6.480 11.514 1.00 1.00 C HETATM 1266 C43 PNS A 101 2.500 5.955 11.647 1.00 1.00 C HETATM 1267 S44 PNS A 101 1.932 5.366 10.057 1.00 1.00 S HETATM 0 H432 PNS A 101 2.462 5.149 12.380 1.00 1.00 H new HETATM 0 H431 PNS A 101 1.844 6.746 12.009 1.00 1.00 H new HETATM 0 H422 PNS A 101 4.136 7.215 12.293 1.00 1.00 H new HETATM 0 H421 PNS A 101 4.644 5.664 11.656 1.00 1.00 H new HETATM 0 H382 PNS A 101 6.275 8.842 8.371 1.00 1.00 H new HETATM 0 H381 PNS A 101 5.167 7.610 7.798 1.00 1.00 H new HETATM 0 H372 PNS A 101 4.020 9.608 7.261 1.00 1.00 H new HETATM 0 H371 PNS A 101 3.273 9.144 8.777 1.00 1.00 H new HETATM 0 H313 PNS A 101 4.546 15.643 10.242 1.00 1.00 H new HETATM 0 H312 PNS A 101 5.181 16.050 8.630 1.00 1.00 H new HETATM 0 H311 PNS A 101 6.117 14.994 9.714 1.00 1.00 H new HETATM 0 H303 PNS A 101 2.430 14.786 9.208 1.00 1.00 H new HETATM 0 H302 PNS A 101 2.501 13.544 7.936 1.00 1.00 H new HETATM 0 H301 PNS A 101 3.054 15.200 7.594 1.00 1.00 H new HETATM 0 H282 PNS A 101 4.597 12.867 6.990 1.00 1.00 H new HETATM 0 H281 PNS A 101 5.519 14.357 6.968 1.00 1.00 H new HETATM 0 H41 PNS A 101 3.438 6.927 9.469 1.00 1.00 H new HETATM 0 H36 PNS A 101 5.620 10.911 9.084 1.00 1.00 H new HETATM 0 H33 PNS A 101 2.584 12.920 10.836 1.00 1.00 H new HETATM 0 H32 PNS A 101 5.288 12.736 10.266 1.00 1.00 H new HETATM 1288 C1 DKA A 102 3.010 4.292 9.210 1.00 1.00 C HETATM 1289 O1 DKA A 102 4.084 3.950 9.648 1.00 1.00 O HETATM 1290 C2 DKA A 102 2.440 3.861 7.894 1.00 1.00 C HETATM 1291 C3 DKA A 102 2.413 5.045 6.927 1.00 1.00 C HETATM 1292 C4 DKA A 102 1.589 4.676 5.693 1.00 1.00 C HETATM 1293 C5 DKA A 102 2.271 3.526 4.935 1.00 1.00 C HETATM 1294 C6 DKA A 102 1.767 3.486 3.489 1.00 1.00 C HETATM 1295 C7 DKA A 102 0.237 3.491 3.477 1.00 1.00 C HETATM 1296 C8 DKA A 102 -0.269 3.041 2.107 1.00 1.00 C HETATM 1297 C9 DKA A 102 -1.750 3.395 1.967 1.00 1.00 C HETATM 1298 C10 DKA A 102 -2.244 2.984 0.579 1.00 1.00 C HETATM 0 H103 DKA A 102 -1.671 3.513 -0.183 1.00 1.00 H new HETATM 0 H102 DKA A 102 -2.114 1.910 0.450 1.00 1.00 H new HETATM 0 H101 DKA A 102 -3.300 3.236 0.479 1.00 1.00 H new HETATM 0 H92 DKA A 102 -2.331 2.886 2.737 1.00 1.00 H new HETATM 0 H91 DKA A 102 -1.894 4.465 2.114 1.00 1.00 H new HETATM 0 H82 DKA A 102 0.307 3.525 1.318 1.00 1.00 H new HETATM 0 H81 DKA A 102 -0.129 1.966 1.991 1.00 1.00 H new HETATM 0 H72 DKA A 102 -0.144 2.827 4.252 1.00 1.00 H new HETATM 0 H71 DKA A 102 -0.135 4.491 3.702 1.00 1.00 H new HETATM 0 H62 DKA A 102 2.148 4.345 2.937 1.00 1.00 H new HETATM 0 H61 DKA A 102 2.142 2.594 2.987 1.00 1.00 H new HETATM 0 H52 DKA A 102 3.353 3.660 4.949 1.00 1.00 H new HETATM 0 H51 DKA A 102 2.061 2.578 5.429 1.00 1.00 H new HETATM 0 H42 DKA A 102 0.583 4.381 5.991 1.00 1.00 H new HETATM 0 H41 DKA A 102 1.486 5.543 5.041 1.00 1.00 H new HETATM 0 H32 DKA A 102 1.983 5.919 7.417 1.00 1.00 H new HETATM 0 H31 DKA A 102 3.428 5.312 6.633 1.00 1.00 H new HETATM 0 H22 DKA A 102 3.039 3.052 7.476 1.00 1.00 H new HETATM 0 H21 DKA A 102 1.432 3.472 8.034 1.00 1.00 H new