USER MOD reduce.3.24.130724 H: found=0, std=0, add=725, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 725 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 8 HIS : no HE2:sc= -0.107 K(o=-0.44,f=-2.4!) USER MOD Set 1.2: A 37 THR OG1 : rot 170:sc= -0.332 USER MOD Set 2.1: A 20 GLN : amide:sc= 0.088 K(o=0.56,f=-8.2!) USER MOD Set 2.2: A 29 LYS NZ :NH3+ 174:sc= 0.469 (180deg=-0.802) USER MOD Set 3.1: A 4 HIS : no HE2:sc= 0.57 K(o=0.46,f=-3.3) USER MOD Set 3.2: A 76 SER OG : rot 173:sc= -0.11 USER MOD Single : A 1 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 1 HIS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 HIS : no HE2:sc= 0.154 K(o=0.15,f=-0.79) USER MOD Single : A 3 HIS : no HD1:sc= -0.0277 X(o=-0.028,f=0) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 HIS : no HD1:sc= -0.101 X(o=-0.1,f=0) USER MOD Single : A 7 SER OG : rot 90:sc= -1.08 USER MOD Single : A 9 MET CE :methyl -177:sc= 0 (180deg=-0.0164) USER MOD Single : A 13 THR OG1 : rot -120:sc= 0.0392 USER MOD Single : A 19 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 21 THR OG1 : rot 99:sc= -0.068 USER MOD Single : A 22 LYS NZ :NH3+ -168:sc= -0.019 (180deg=-0.169) USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 TYR OH : rot 30:sc= -1.05 USER MOD Single : A 33 THR OG1 : rot 43:sc= 0.145 USER MOD Single : A 38 THR OG1 : rot 11:sc= 1.19 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 HIS : no HD1:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 55 HIS : no HE2:sc= -1.11 X(o=-1.1,f=-1.5) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0.184 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 77 GLN : amide:sc= -0.155 K(o=-0.15,f=-0.88) USER MOD Single : A 78 ASN : amide:sc= -1.08 K(o=-1.1,f=-6.3!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 THR OG1 : rot 68:sc= 0.138 USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 1 -15.118 -16.506 7.423 1.00 75.00 N ATOM 2 CA HIS A 1 -14.061 -16.055 6.479 1.00 75.00 C ATOM 3 C HIS A 1 -12.660 -16.289 7.089 1.00 75.00 C ATOM 4 O HIS A 1 -12.201 -15.515 7.937 1.00 75.00 O ATOM 5 CB HIS A 1 -14.275 -14.564 6.077 1.00 75.00 C ATOM 6 CG HIS A 1 -15.472 -14.317 5.179 1.00 75.00 C ATOM 7 ND1 HIS A 1 -15.425 -14.458 3.805 1.00 75.00 N ATOM 8 CD2 HIS A 1 -16.750 -13.937 5.456 1.00 75.00 C ATOM 9 CE1 HIS A 1 -16.602 -14.176 3.286 1.00 75.00 C ATOM 10 NE2 HIS A 1 -17.422 -13.864 4.263 1.00 75.00 N ATOM 0 H1 HIS A 1 -16.054 -16.343 7.000 1.00 75.00 H new ATOM 0 H2 HIS A 1 -14.999 -17.520 7.619 1.00 75.00 H new ATOM 0 H3 HIS A 1 -15.042 -15.971 8.311 1.00 75.00 H new ATOM 0 HA HIS A 1 -14.130 -16.648 5.567 1.00 75.00 H new ATOM 0 HB2 HIS A 1 -14.389 -13.970 6.984 1.00 75.00 H new ATOM 0 HB3 HIS A 1 -13.378 -14.205 5.572 1.00 75.00 H new ATOM 0 HD2 HIS A 1 -17.159 -13.731 6.434 1.00 75.00 H new ATOM 0 HE1 HIS A 1 -16.851 -14.198 2.235 1.00 75.00 H new ATOM 0 HE2 HIS A 1 -18.403 -13.608 4.152 1.00 75.00 H new ATOM 21 N HIS A 2 -12.002 -17.395 6.667 1.00 75.00 N ATOM 22 CA HIS A 2 -10.637 -17.771 7.106 1.00 75.00 C ATOM 23 C HIS A 2 -9.777 -18.135 5.876 1.00 75.00 C ATOM 24 O HIS A 2 -10.192 -18.956 5.054 1.00 75.00 O ATOM 25 CB HIS A 2 -10.687 -18.976 8.094 1.00 75.00 C ATOM 26 CG HIS A 2 -11.260 -18.679 9.466 1.00 75.00 C ATOM 27 ND1 HIS A 2 -11.378 -17.409 9.990 1.00 75.00 N ATOM 28 CD2 HIS A 2 -11.713 -19.516 10.435 1.00 75.00 C ATOM 29 CE1 HIS A 2 -11.880 -17.479 11.206 1.00 75.00 C ATOM 30 NE2 HIS A 2 -12.091 -18.742 11.503 1.00 75.00 N ATOM 0 H HIS A 2 -12.408 -18.057 6.006 1.00 75.00 H new ATOM 0 HA HIS A 2 -10.191 -16.921 7.623 1.00 75.00 H new ATOM 0 HB2 HIS A 2 -11.277 -19.771 7.639 1.00 75.00 H new ATOM 0 HB3 HIS A 2 -9.675 -19.362 8.219 1.00 75.00 H new ATOM 0 HD1 HIS A 2 -11.117 -16.548 9.510 1.00 75.00 H new ATOM 0 HD2 HIS A 2 -11.766 -20.593 10.376 1.00 75.00 H new ATOM 0 HE1 HIS A 2 -12.084 -16.638 11.852 1.00 75.00 H new ATOM 39 N HIS A 3 -8.585 -17.508 5.758 1.00 75.00 N ATOM 40 CA HIS A 3 -7.634 -17.762 4.651 1.00 75.00 C ATOM 41 C HIS A 3 -6.235 -17.213 5.006 1.00 75.00 C ATOM 42 O HIS A 3 -6.100 -16.063 5.444 1.00 75.00 O ATOM 43 CB HIS A 3 -8.135 -17.148 3.304 1.00 75.00 C ATOM 44 CG HIS A 3 -8.483 -15.680 3.359 1.00 75.00 C ATOM 45 ND1 HIS A 3 -7.765 -14.693 2.709 1.00 75.00 N ATOM 46 CD2 HIS A 3 -9.510 -15.039 3.965 1.00 75.00 C ATOM 47 CE1 HIS A 3 -8.331 -13.524 2.926 1.00 75.00 C ATOM 48 NE2 HIS A 3 -9.389 -13.709 3.684 1.00 75.00 N ATOM 0 H HIS A 3 -8.255 -16.812 6.427 1.00 75.00 H new ATOM 0 HA HIS A 3 -7.568 -18.842 4.516 1.00 75.00 H new ATOM 0 HB2 HIS A 3 -7.364 -17.295 2.547 1.00 75.00 H new ATOM 0 HB3 HIS A 3 -9.014 -17.702 2.975 1.00 75.00 H new ATOM 0 HD2 HIS A 3 -10.284 -15.497 4.562 1.00 75.00 H new ATOM 0 HE1 HIS A 3 -7.985 -12.574 2.546 1.00 75.00 H new ATOM 0 HE2 HIS A 3 -10.019 -12.976 4.010 1.00 75.00 H new ATOM 57 N HIS A 4 -5.199 -18.049 4.814 1.00 75.00 N ATOM 58 CA HIS A 4 -3.788 -17.684 5.079 1.00 75.00 C ATOM 59 C HIS A 4 -2.939 -18.060 3.847 1.00 75.00 C ATOM 60 O HIS A 4 -2.973 -19.213 3.400 1.00 75.00 O ATOM 61 CB HIS A 4 -3.263 -18.414 6.350 1.00 75.00 C ATOM 62 CG HIS A 4 -3.924 -17.993 7.650 1.00 75.00 C ATOM 63 ND1 HIS A 4 -3.318 -17.158 8.571 1.00 75.00 N ATOM 64 CD2 HIS A 4 -5.130 -18.309 8.192 1.00 75.00 C ATOM 65 CE1 HIS A 4 -4.118 -16.979 9.601 1.00 75.00 C ATOM 66 NE2 HIS A 4 -5.220 -17.664 9.397 1.00 75.00 N ATOM 0 H HIS A 4 -5.313 -19.002 4.469 1.00 75.00 H new ATOM 0 HA HIS A 4 -3.715 -16.611 5.259 1.00 75.00 H new ATOM 0 HB2 HIS A 4 -3.404 -19.487 6.219 1.00 75.00 H new ATOM 0 HB3 HIS A 4 -2.190 -18.241 6.433 1.00 75.00 H new ATOM 0 HD1 HIS A 4 -2.392 -16.744 8.468 1.00 75.00 H new ATOM 0 HD2 HIS A 4 -5.880 -18.951 7.753 1.00 75.00 H new ATOM 0 HE1 HIS A 4 -3.904 -16.371 10.468 1.00 75.00 H new ATOM 75 N HIS A 5 -2.194 -17.083 3.293 1.00 75.00 N ATOM 76 CA HIS A 5 -1.422 -17.263 2.041 1.00 75.00 C ATOM 77 C HIS A 5 0.049 -16.845 2.209 1.00 75.00 C ATOM 78 O HIS A 5 0.427 -16.242 3.220 1.00 75.00 O ATOM 79 CB HIS A 5 -2.083 -16.461 0.880 1.00 75.00 C ATOM 80 CG HIS A 5 -3.354 -17.077 0.351 1.00 75.00 C ATOM 81 ND1 HIS A 5 -4.595 -16.480 0.444 1.00 75.00 N ATOM 82 CD2 HIS A 5 -3.559 -18.244 -0.303 1.00 75.00 C ATOM 83 CE1 HIS A 5 -5.501 -17.256 -0.118 1.00 75.00 C ATOM 84 NE2 HIS A 5 -4.898 -18.329 -0.578 1.00 75.00 N ATOM 0 H HIS A 5 -2.109 -16.150 3.696 1.00 75.00 H new ATOM 0 HA HIS A 5 -1.435 -18.325 1.796 1.00 75.00 H new ATOM 0 HB2 HIS A 5 -2.299 -15.451 1.228 1.00 75.00 H new ATOM 0 HB3 HIS A 5 -1.368 -16.371 0.062 1.00 75.00 H new ATOM 0 HD2 HIS A 5 -2.806 -18.974 -0.561 1.00 75.00 H new ATOM 0 HE1 HIS A 5 -6.558 -17.046 -0.188 1.00 75.00 H new ATOM 0 HE2 HIS A 5 -5.354 -19.102 -1.063 1.00 75.00 H new ATOM 93 N HIS A 6 0.861 -17.192 1.189 1.00 75.00 N ATOM 94 CA HIS A 6 2.290 -16.834 1.117 1.00 75.00 C ATOM 95 C HIS A 6 2.401 -15.342 0.769 1.00 75.00 C ATOM 96 O HIS A 6 2.019 -14.935 -0.333 1.00 75.00 O ATOM 97 CB HIS A 6 3.019 -17.690 0.046 1.00 75.00 C ATOM 98 CG HIS A 6 2.760 -19.166 0.155 1.00 75.00 C ATOM 99 ND1 HIS A 6 3.492 -20.009 0.956 1.00 75.00 N ATOM 100 CD2 HIS A 6 1.821 -19.946 -0.438 1.00 75.00 C ATOM 101 CE1 HIS A 6 3.016 -21.230 0.850 1.00 75.00 C ATOM 102 NE2 HIS A 6 2.007 -21.219 0.015 1.00 75.00 N ATOM 0 H HIS A 6 0.539 -17.733 0.386 1.00 75.00 H new ATOM 0 HA HIS A 6 2.764 -17.031 2.079 1.00 75.00 H new ATOM 0 HB2 HIS A 6 2.713 -17.351 -0.944 1.00 75.00 H new ATOM 0 HB3 HIS A 6 4.092 -17.514 0.125 1.00 75.00 H new ATOM 0 HD2 HIS A 6 1.067 -19.619 -1.138 1.00 75.00 H new ATOM 0 HE1 HIS A 6 3.395 -22.099 1.367 1.00 75.00 H new ATOM 0 HE2 HIS A 6 1.451 -22.031 -0.253 1.00 75.00 H new ATOM 111 N SER A 7 2.893 -14.537 1.719 1.00 75.00 N ATOM 112 CA SER A 7 2.881 -13.072 1.610 1.00 75.00 C ATOM 113 C SER A 7 4.123 -12.435 2.255 1.00 75.00 C ATOM 114 O SER A 7 4.996 -13.137 2.790 1.00 75.00 O ATOM 115 CB SER A 7 1.586 -12.533 2.263 1.00 75.00 C ATOM 116 OG SER A 7 0.433 -13.000 1.569 1.00 75.00 O ATOM 0 H SER A 7 3.310 -14.882 2.584 1.00 75.00 H new ATOM 0 HA SER A 7 2.905 -12.802 0.554 1.00 75.00 H new ATOM 0 HB2 SER A 7 1.541 -12.849 3.305 1.00 75.00 H new ATOM 0 HB3 SER A 7 1.600 -11.443 2.261 1.00 75.00 H new ATOM 0 HG SER A 7 0.138 -13.849 1.959 1.00 75.00 H new ATOM 122 N HIS A 8 4.194 -11.090 2.154 1.00 50.00 N ATOM 123 CA HIS A 8 5.173 -10.266 2.885 1.00 50.00 C ATOM 124 C HIS A 8 4.823 -10.277 4.384 1.00 50.00 C ATOM 125 O HIS A 8 3.679 -10.601 4.756 1.00 50.00 O ATOM 126 CB HIS A 8 5.179 -8.799 2.352 1.00 50.00 C ATOM 127 CG HIS A 8 5.634 -8.623 0.925 1.00 50.00 C ATOM 128 ND1 HIS A 8 5.907 -7.384 0.384 1.00 75.00 N ATOM 129 CD2 HIS A 8 5.826 -9.514 -0.080 1.00 75.00 C ATOM 130 CE1 HIS A 8 6.243 -7.518 -0.879 1.00 75.00 C ATOM 131 NE2 HIS A 8 6.198 -8.797 -1.186 1.00 75.00 N ATOM 0 H HIS A 8 3.569 -10.546 1.559 1.00 50.00 H new ATOM 0 HA HIS A 8 6.168 -10.685 2.732 1.00 50.00 H new ATOM 0 HB2 HIS A 8 4.171 -8.394 2.445 1.00 50.00 H new ATOM 0 HB3 HIS A 8 5.824 -8.201 2.996 1.00 50.00 H new ATOM 0 HD1 HIS A 8 5.856 -6.499 0.888 1.00 75.00 H new ATOM 0 HD2 HIS A 8 5.708 -10.586 -0.019 1.00 75.00 H new ATOM 0 HE1 HIS A 8 6.510 -6.716 -1.551 1.00 75.00 H new ATOM 140 N MET A 9 5.807 -9.913 5.227 1.00 10.00 N ATOM 141 CA MET A 9 5.625 -9.846 6.688 1.00 10.00 C ATOM 142 C MET A 9 4.496 -8.846 7.032 1.00 10.00 C ATOM 143 O MET A 9 4.448 -7.741 6.464 1.00 50.00 O ATOM 144 CB MET A 9 6.963 -9.448 7.399 1.00 50.00 C ATOM 145 CG MET A 9 7.479 -8.027 7.124 1.00 50.00 C ATOM 146 SD MET A 9 8.985 -7.651 8.053 1.00 50.00 S ATOM 147 CE MET A 9 9.163 -5.889 7.766 1.00 75.00 C ATOM 0 H MET A 9 6.745 -9.659 4.917 1.00 10.00 H new ATOM 0 HA MET A 9 5.339 -10.833 7.052 1.00 10.00 H new ATOM 0 HB2 MET A 9 6.827 -9.561 8.475 1.00 50.00 H new ATOM 0 HB3 MET A 9 7.735 -10.157 7.099 1.00 50.00 H new ATOM 0 HG2 MET A 9 7.675 -7.914 6.058 1.00 50.00 H new ATOM 0 HG3 MET A 9 6.705 -7.305 7.384 1.00 50.00 H new ATOM 0 HE1 MET A 9 10.080 -5.535 8.237 1.00 75.00 H new ATOM 0 HE2 MET A 9 9.208 -5.698 6.694 1.00 75.00 H new ATOM 0 HE3 MET A 9 8.309 -5.363 8.193 1.00 75.00 H new ATOM 157 N VAL A 10 3.577 -9.256 7.932 1.00 10.00 N ATOM 158 CA VAL A 10 2.414 -8.437 8.311 1.00 10.00 C ATOM 159 C VAL A 10 2.854 -7.130 9.001 1.00 10.00 C ATOM 160 O VAL A 10 3.728 -7.130 9.885 1.00 50.00 O ATOM 161 CB VAL A 10 1.371 -9.229 9.189 1.00 50.00 C ATOM 162 CG1 VAL A 10 0.746 -10.384 8.382 1.00 50.00 C ATOM 163 CG2 VAL A 10 1.983 -9.751 10.512 1.00 50.00 C ATOM 0 H VAL A 10 3.622 -10.156 8.410 1.00 10.00 H new ATOM 0 HA VAL A 10 1.901 -8.175 7.385 1.00 10.00 H new ATOM 0 HB VAL A 10 0.585 -8.524 9.462 1.00 50.00 H new ATOM 0 HG11 VAL A 10 0.029 -10.918 9.006 1.00 50.00 H new ATOM 0 HG12 VAL A 10 0.236 -9.982 7.506 1.00 50.00 H new ATOM 0 HG13 VAL A 10 1.530 -11.070 8.062 1.00 50.00 H new ATOM 0 HG21 VAL A 10 1.222 -10.289 11.078 1.00 50.00 H new ATOM 0 HG22 VAL A 10 2.812 -10.423 10.289 1.00 50.00 H new ATOM 0 HG23 VAL A 10 2.347 -8.909 11.102 1.00 50.00 H new ATOM 173 N GLY A 11 2.252 -6.016 8.553 1.00 10.00 N ATOM 174 CA GLY A 11 2.634 -4.688 9.012 1.00 10.00 C ATOM 175 C GLY A 11 3.640 -4.001 8.086 1.00 10.00 C ATOM 176 O GLY A 11 4.194 -2.970 8.464 1.00 50.00 O ATOM 0 H GLY A 11 1.495 -6.019 7.869 1.00 10.00 H new ATOM 0 HA2 GLY A 11 1.742 -4.067 9.094 1.00 10.00 H new ATOM 0 HA3 GLY A 11 3.062 -4.764 10.012 1.00 10.00 H new ATOM 180 N ASP A 12 3.892 -4.584 6.884 1.00 10.00 N ATOM 181 CA ASP A 12 4.904 -4.075 5.917 1.00 10.00 C ATOM 182 C ASP A 12 4.663 -2.579 5.582 1.00 10.00 C ATOM 183 O ASP A 12 3.636 -2.225 5.001 1.00 50.00 O ATOM 184 CB ASP A 12 4.883 -4.953 4.619 1.00 50.00 C ATOM 185 CG ASP A 12 5.984 -4.650 3.564 1.00 50.00 C ATOM 186 OD1 ASP A 12 6.759 -3.678 3.703 1.00 50.00 O ATOM 187 OD2 ASP A 12 6.078 -5.417 2.577 1.00 50.00 O ATOM 0 H ASP A 12 3.402 -5.417 6.558 1.00 10.00 H new ATOM 0 HA ASP A 12 5.890 -4.147 6.376 1.00 10.00 H new ATOM 0 HB2 ASP A 12 4.969 -5.999 4.912 1.00 50.00 H new ATOM 0 HB3 ASP A 12 3.910 -4.835 4.142 1.00 50.00 H new ATOM 192 N THR A 13 5.643 -1.726 5.930 1.00 10.00 N ATOM 193 CA THR A 13 5.518 -0.273 5.802 1.00 10.00 C ATOM 194 C THR A 13 5.607 0.139 4.324 1.00 10.00 C ATOM 195 O THR A 13 6.643 -0.045 3.678 1.00 50.00 O ATOM 196 CB THR A 13 6.635 0.458 6.607 1.00 50.00 C ATOM 197 OG1 THR A 13 6.643 -0.018 7.956 1.00 50.00 O ATOM 198 CG2 THR A 13 6.423 1.976 6.620 1.00 50.00 C ATOM 0 H THR A 13 6.541 -2.030 6.307 1.00 10.00 H new ATOM 0 HA THR A 13 4.548 0.015 6.206 1.00 10.00 H new ATOM 0 HB THR A 13 7.587 0.247 6.119 1.00 50.00 H new ATOM 0 HG1 THR A 13 6.476 0.729 8.568 1.00 50.00 H new ATOM 0 HG21 THR A 13 7.222 2.450 7.191 1.00 50.00 H new ATOM 0 HG22 THR A 13 6.434 2.354 5.598 1.00 50.00 H new ATOM 0 HG23 THR A 13 5.462 2.205 7.081 1.00 50.00 H new ATOM 206 N VAL A 14 4.493 0.661 3.795 1.00 10.00 N ATOM 207 CA VAL A 14 4.378 1.129 2.408 1.00 10.00 C ATOM 208 C VAL A 14 3.635 2.477 2.363 1.00 10.00 C ATOM 209 O VAL A 14 3.164 2.977 3.392 1.00 50.00 O ATOM 210 CB VAL A 14 3.618 0.093 1.503 1.00 50.00 C ATOM 211 CG1 VAL A 14 4.349 -1.271 1.449 1.00 50.00 C ATOM 212 CG2 VAL A 14 2.139 -0.065 1.943 1.00 50.00 C ATOM 0 H VAL A 14 3.631 0.772 4.329 1.00 10.00 H new ATOM 0 HA VAL A 14 5.390 1.246 2.021 1.00 10.00 H new ATOM 0 HB VAL A 14 3.615 0.491 0.488 1.00 50.00 H new ATOM 0 HG11 VAL A 14 3.791 -1.958 0.813 1.00 50.00 H new ATOM 0 HG12 VAL A 14 5.350 -1.131 1.041 1.00 50.00 H new ATOM 0 HG13 VAL A 14 4.421 -1.685 2.455 1.00 50.00 H new ATOM 0 HG21 VAL A 14 1.642 -0.789 1.296 1.00 50.00 H new ATOM 0 HG22 VAL A 14 2.102 -0.415 2.975 1.00 50.00 H new ATOM 0 HG23 VAL A 14 1.632 0.897 1.867 1.00 50.00 H new ATOM 222 N TRP A 15 3.529 3.046 1.159 1.00 10.00 N ATOM 223 CA TRP A 15 2.755 4.263 0.884 1.00 10.00 C ATOM 224 C TRP A 15 1.744 3.948 -0.216 1.00 10.00 C ATOM 225 O TRP A 15 2.093 3.295 -1.198 1.00 50.00 O ATOM 226 CB TRP A 15 3.697 5.422 0.445 1.00 50.00 C ATOM 227 CG TRP A 15 4.602 5.931 1.549 1.00 50.00 C ATOM 228 CD1 TRP A 15 4.337 5.925 2.886 1.00 50.00 C ATOM 229 CD2 TRP A 15 5.899 6.545 1.415 1.00 50.00 C ATOM 230 NE1 TRP A 15 5.372 6.472 3.589 1.00 50.00 N ATOM 231 CE2 TRP A 15 6.340 6.873 2.713 1.00 50.00 C ATOM 232 CE3 TRP A 15 6.722 6.850 0.333 1.00 50.00 C ATOM 233 CZ2 TRP A 15 7.564 7.490 2.959 1.00 50.00 C ATOM 234 CZ3 TRP A 15 7.939 7.467 0.576 1.00 50.00 C ATOM 235 CH2 TRP A 15 8.348 7.780 1.878 1.00 50.00 C ATOM 0 H TRP A 15 3.988 2.667 0.330 1.00 10.00 H new ATOM 0 HA TRP A 15 2.235 4.585 1.786 1.00 10.00 H new ATOM 0 HB2 TRP A 15 4.313 5.081 -0.387 1.00 50.00 H new ATOM 0 HB3 TRP A 15 3.091 6.249 0.075 1.00 50.00 H new ATOM 0 HD1 TRP A 15 3.431 5.540 3.329 1.00 50.00 H new ATOM 0 HE1 TRP A 15 5.415 6.566 4.604 1.00 50.00 H new ATOM 0 HE3 TRP A 15 6.418 6.610 -0.675 1.00 50.00 H new ATOM 0 HZ2 TRP A 15 7.881 7.730 3.963 1.00 50.00 H new ATOM 0 HZ3 TRP A 15 8.584 7.711 -0.255 1.00 50.00 H new ATOM 0 HH2 TRP A 15 9.303 8.261 2.031 1.00 50.00 H new ATOM 246 N VAL A 16 0.498 4.415 -0.052 1.00 10.00 N ATOM 247 CA VAL A 16 -0.558 4.222 -1.060 1.00 10.00 C ATOM 248 C VAL A 16 -0.843 5.576 -1.722 1.00 10.00 C ATOM 249 O VAL A 16 -1.383 6.508 -1.095 1.00 50.00 O ATOM 250 CB VAL A 16 -1.879 3.579 -0.466 1.00 50.00 C ATOM 251 CG1 VAL A 16 -2.999 3.499 -1.535 1.00 50.00 C ATOM 252 CG2 VAL A 16 -1.585 2.174 0.112 1.00 50.00 C ATOM 0 H VAL A 16 0.194 4.932 0.773 1.00 10.00 H new ATOM 0 HA VAL A 16 -0.202 3.505 -1.800 1.00 10.00 H new ATOM 0 HB VAL A 16 -2.230 4.224 0.339 1.00 50.00 H new ATOM 0 HG11 VAL A 16 -3.891 3.053 -1.095 1.00 50.00 H new ATOM 0 HG12 VAL A 16 -3.233 4.502 -1.892 1.00 50.00 H new ATOM 0 HG13 VAL A 16 -2.661 2.886 -2.370 1.00 50.00 H new ATOM 0 HG21 VAL A 16 -2.503 1.747 0.516 1.00 50.00 H new ATOM 0 HG22 VAL A 16 -1.202 1.528 -0.678 1.00 50.00 H new ATOM 0 HG23 VAL A 16 -0.843 2.255 0.906 1.00 50.00 H new ATOM 262 N ARG A 17 -0.385 5.677 -2.970 1.00 10.00 N ATOM 263 CA ARG A 17 -0.572 6.834 -3.835 1.00 10.00 C ATOM 264 C ARG A 17 -2.002 6.838 -4.399 1.00 10.00 C ATOM 265 O ARG A 17 -2.365 5.970 -5.188 1.00 50.00 O ATOM 266 CB ARG A 17 0.481 6.769 -4.972 1.00 50.00 C ATOM 267 CG ARG A 17 0.403 7.919 -5.988 1.00 50.00 C ATOM 268 CD ARG A 17 1.401 7.771 -7.149 1.00 50.00 C ATOM 269 NE ARG A 17 2.803 7.901 -6.729 1.00 50.00 N ATOM 270 CZ ARG A 17 3.870 7.525 -7.470 1.00 50.00 C ATOM 271 NH1 ARG A 17 3.709 6.967 -8.677 1.00 75.00 N ATOM 272 NH2 ARG A 17 5.095 7.752 -7.008 1.00 75.00 N ATOM 0 H ARG A 17 0.144 4.929 -3.418 1.00 10.00 H new ATOM 0 HA ARG A 17 -0.436 7.758 -3.274 1.00 10.00 H new ATOM 0 HB2 ARG A 17 1.476 6.763 -4.527 1.00 50.00 H new ATOM 0 HB3 ARG A 17 0.364 5.825 -5.503 1.00 50.00 H new ATOM 0 HG2 ARG A 17 -0.608 7.971 -6.391 1.00 50.00 H new ATOM 0 HG3 ARG A 17 0.590 8.862 -5.475 1.00 50.00 H new ATOM 0 HD2 ARG A 17 1.259 6.798 -7.620 1.00 50.00 H new ATOM 0 HD3 ARG A 17 1.184 8.526 -7.905 1.00 50.00 H new ATOM 0 HE ARG A 17 2.985 8.305 -5.810 1.00 50.00 H new ATOM 0 HH11 ARG A 17 2.771 6.820 -9.050 1.00 75.00 H new ATOM 0 HH12 ARG A 17 4.524 6.689 -9.223 1.00 75.00 H new ATOM 0 HH21 ARG A 17 5.223 8.205 -6.103 1.00 75.00 H new ATOM 0 HH22 ARG A 17 5.907 7.473 -7.558 1.00 75.00 H new ATOM 286 N ARG A 18 -2.807 7.804 -3.963 1.00 10.00 N ATOM 287 CA ARG A 18 -4.199 7.972 -4.417 1.00 10.00 C ATOM 288 C ARG A 18 -4.280 9.177 -5.361 1.00 10.00 C ATOM 289 O ARG A 18 -3.467 10.092 -5.227 1.00 50.00 O ATOM 290 CB ARG A 18 -5.112 8.159 -3.185 1.00 50.00 C ATOM 291 CG ARG A 18 -6.618 8.327 -3.496 1.00 50.00 C ATOM 292 CD ARG A 18 -7.468 8.354 -2.220 1.00 50.00 C ATOM 293 NE ARG A 18 -7.269 7.142 -1.409 1.00 75.00 N ATOM 294 CZ ARG A 18 -7.613 7.007 -0.117 1.00 75.00 C ATOM 295 NH1 ARG A 18 -8.203 7.998 0.550 1.00 75.00 N ATOM 296 NH2 ARG A 18 -7.330 5.879 0.511 1.00 75.00 N ATOM 0 H ARG A 18 -2.516 8.502 -3.279 1.00 10.00 H new ATOM 0 HA ARG A 18 -4.534 7.089 -4.962 1.00 10.00 H new ATOM 0 HB2 ARG A 18 -4.988 7.298 -2.528 1.00 50.00 H new ATOM 0 HB3 ARG A 18 -4.773 9.035 -2.632 1.00 50.00 H new ATOM 0 HG2 ARG A 18 -6.772 9.251 -4.054 1.00 50.00 H new ATOM 0 HG3 ARG A 18 -6.950 7.509 -4.135 1.00 50.00 H new ATOM 0 HD2 ARG A 18 -7.211 9.233 -1.630 1.00 50.00 H new ATOM 0 HD3 ARG A 18 -8.521 8.445 -2.486 1.00 50.00 H new ATOM 0 HE ARG A 18 -6.835 6.339 -1.865 1.00 75.00 H new ATOM 0 HH11 ARG A 18 -8.402 8.881 0.080 1.00 75.00 H new ATOM 0 HH12 ARG A 18 -8.455 7.873 1.530 1.00 75.00 H new ATOM 0 HH21 ARG A 18 -6.856 5.124 0.015 1.00 75.00 H new ATOM 0 HH22 ARG A 18 -7.585 5.763 1.492 1.00 75.00 H new ATOM 310 N HIS A 19 -5.269 9.167 -6.293 1.00 50.00 N ATOM 311 CA HIS A 19 -5.479 10.251 -7.283 1.00 50.00 C ATOM 312 C HIS A 19 -5.479 11.642 -6.625 1.00 50.00 C ATOM 313 O HIS A 19 -4.655 12.490 -6.992 1.00 75.00 O ATOM 314 CB HIS A 19 -6.793 10.034 -8.092 1.00 75.00 C ATOM 315 CG HIS A 19 -6.749 8.870 -9.037 1.00 75.00 C ATOM 316 ND1 HIS A 19 -6.035 8.887 -10.220 1.00 75.00 N ATOM 317 CD2 HIS A 19 -7.340 7.654 -8.981 1.00 75.00 C ATOM 318 CE1 HIS A 19 -6.190 7.734 -10.842 1.00 75.00 C ATOM 319 NE2 HIS A 19 -6.973 6.976 -10.110 1.00 75.00 N ATOM 0 H HIS A 19 -5.942 8.405 -6.377 1.00 50.00 H new ATOM 0 HA HIS A 19 -4.637 10.211 -7.974 1.00 50.00 H new ATOM 0 HB2 HIS A 19 -7.617 9.889 -7.393 1.00 75.00 H new ATOM 0 HB3 HIS A 19 -7.011 10.939 -8.659 1.00 75.00 H new ATOM 0 HD2 HIS A 19 -7.981 7.288 -8.193 1.00 75.00 H new ATOM 0 HE1 HIS A 19 -5.749 7.461 -11.789 1.00 75.00 H new ATOM 0 HE2 HIS A 19 -7.263 6.027 -10.347 1.00 75.00 H new ATOM 328 N GLN A 20 -6.370 11.821 -5.618 1.00 75.00 N ATOM 329 CA GLN A 20 -6.574 13.097 -4.886 1.00 75.00 C ATOM 330 C GLN A 20 -7.048 14.204 -5.872 1.00 75.00 C ATOM 331 O GLN A 20 -8.231 14.583 -5.896 1.00 75.00 O ATOM 332 CB GLN A 20 -5.278 13.536 -4.114 1.00 75.00 C ATOM 333 CG GLN A 20 -4.676 12.486 -3.147 1.00 75.00 C ATOM 334 CD GLN A 20 -5.538 12.138 -1.928 1.00 75.00 C ATOM 335 OE1 GLN A 20 -5.502 11.009 -1.435 1.00 75.00 O ATOM 336 NE2 GLN A 20 -6.262 13.104 -1.388 1.00 75.00 N ATOM 0 H GLN A 20 -6.977 11.071 -5.286 1.00 75.00 H new ATOM 0 HA GLN A 20 -7.350 12.942 -4.137 1.00 75.00 H new ATOM 0 HB2 GLN A 20 -4.517 13.806 -4.846 1.00 75.00 H new ATOM 0 HB3 GLN A 20 -5.506 14.437 -3.544 1.00 75.00 H new ATOM 0 HG2 GLN A 20 -4.484 11.571 -3.707 1.00 75.00 H new ATOM 0 HG3 GLN A 20 -3.712 12.853 -2.795 1.00 75.00 H new ATOM 0 HE21 GLN A 20 -6.276 14.030 -1.815 1.00 75.00 H new ATOM 0 HE22 GLN A 20 -6.807 12.923 -0.545 1.00 75.00 H new ATOM 345 N THR A 21 -6.099 14.696 -6.676 1.00 75.00 N ATOM 346 CA THR A 21 -6.341 15.573 -7.827 1.00 75.00 C ATOM 347 C THR A 21 -6.849 14.761 -9.048 1.00 75.00 C ATOM 348 O THR A 21 -6.712 13.528 -9.089 1.00 75.00 O ATOM 349 CB THR A 21 -5.013 16.315 -8.184 1.00 75.00 C ATOM 350 OG1 THR A 21 -3.954 15.355 -8.360 1.00 75.00 O ATOM 351 CG2 THR A 21 -4.611 17.332 -7.092 1.00 75.00 C ATOM 0 H THR A 21 -5.110 14.488 -6.539 1.00 75.00 H new ATOM 0 HA THR A 21 -7.113 16.298 -7.568 1.00 75.00 H new ATOM 0 HB THR A 21 -5.179 16.866 -9.110 1.00 75.00 H new ATOM 0 HG1 THR A 21 -3.826 15.181 -9.316 1.00 75.00 H new ATOM 0 HG21 THR A 21 -3.683 17.826 -7.379 1.00 75.00 H new ATOM 0 HG22 THR A 21 -5.399 18.077 -6.981 1.00 75.00 H new ATOM 0 HG23 THR A 21 -4.467 16.811 -6.145 1.00 75.00 H new ATOM 359 N LYS A 22 -7.409 15.468 -10.046 1.00 75.00 N ATOM 360 CA LYS A 22 -8.073 14.834 -11.211 1.00 75.00 C ATOM 361 C LYS A 22 -7.068 14.484 -12.328 1.00 75.00 C ATOM 362 O LYS A 22 -7.034 13.347 -12.808 1.00 75.00 O ATOM 363 CB LYS A 22 -9.179 15.772 -11.774 1.00 75.00 C ATOM 364 CG LYS A 22 -10.267 16.135 -10.751 1.00 75.00 C ATOM 365 CD LYS A 22 -11.408 16.971 -11.372 1.00 75.00 C ATOM 366 CE LYS A 22 -12.514 17.290 -10.359 1.00 75.00 C ATOM 367 NZ LYS A 22 -13.137 16.057 -9.799 1.00 75.00 N ATOM 0 H LYS A 22 -7.417 16.488 -10.073 1.00 75.00 H new ATOM 0 HA LYS A 22 -8.522 13.904 -10.863 1.00 75.00 H new ATOM 0 HB2 LYS A 22 -8.714 16.689 -12.136 1.00 75.00 H new ATOM 0 HB3 LYS A 22 -9.647 15.291 -12.633 1.00 75.00 H new ATOM 0 HG2 LYS A 22 -10.681 15.221 -10.326 1.00 75.00 H new ATOM 0 HG3 LYS A 22 -9.817 16.693 -9.930 1.00 75.00 H new ATOM 0 HD2 LYS A 22 -11.000 17.902 -11.766 1.00 75.00 H new ATOM 0 HD3 LYS A 22 -11.836 16.428 -12.215 1.00 75.00 H new ATOM 0 HE2 LYS A 22 -12.099 17.887 -9.547 1.00 75.00 H new ATOM 0 HE3 LYS A 22 -13.281 17.896 -10.840 1.00 75.00 H new ATOM 0 HZ1 LYS A 22 -14.003 16.310 -9.282 1.00 75.00 H new ATOM 0 HZ2 LYS A 22 -13.374 15.405 -10.574 1.00 75.00 H new ATOM 0 HZ3 LYS A 22 -12.469 15.595 -9.150 1.00 75.00 H new ATOM 381 N ASN A 23 -6.253 15.475 -12.737 1.00 75.00 N ATOM 382 CA ASN A 23 -5.292 15.330 -13.863 1.00 75.00 C ATOM 383 C ASN A 23 -3.841 15.525 -13.404 1.00 50.00 C ATOM 384 O ASN A 23 -2.910 15.080 -14.093 1.00 50.00 O ATOM 385 CB ASN A 23 -5.625 16.317 -15.016 1.00 50.00 C ATOM 386 CG ASN A 23 -6.893 15.947 -15.785 1.00 75.00 C ATOM 387 OD1 ASN A 23 -7.991 16.398 -15.453 1.00 75.00 O ATOM 388 ND2 ASN A 23 -6.750 15.105 -16.809 1.00 75.00 N ATOM 0 H ASN A 23 -6.237 16.398 -12.302 1.00 75.00 H new ATOM 0 HA ASN A 23 -5.393 14.311 -14.235 1.00 75.00 H new ATOM 0 HB2 ASN A 23 -5.738 17.320 -14.604 1.00 50.00 H new ATOM 0 HB3 ASN A 23 -4.785 16.350 -15.710 1.00 50.00 H new ATOM 0 HD21 ASN A 23 -7.566 14.813 -17.347 1.00 75.00 H new ATOM 0 HD22 ASN A 23 -5.825 14.753 -17.054 1.00 75.00 H new ATOM 395 N LEU A 24 -3.643 16.202 -12.258 1.00 10.00 N ATOM 396 CA LEU A 24 -2.302 16.350 -11.656 1.00 50.00 C ATOM 397 C LEU A 24 -1.815 14.999 -11.098 1.00 50.00 C ATOM 398 O LEU A 24 -2.607 14.047 -10.954 1.00 50.00 O ATOM 399 CB LEU A 24 -2.284 17.433 -10.537 1.00 50.00 C ATOM 400 CG LEU A 24 -2.622 18.898 -10.966 1.00 75.00 C ATOM 401 CD1 LEU A 24 -2.514 19.870 -9.767 1.00 75.00 C ATOM 402 CD2 LEU A 24 -1.726 19.364 -12.134 1.00 75.00 C ATOM 0 H LEU A 24 -4.390 16.654 -11.731 1.00 10.00 H new ATOM 0 HA LEU A 24 -1.624 16.679 -12.443 1.00 50.00 H new ATOM 0 HB2 LEU A 24 -2.992 17.134 -9.764 1.00 50.00 H new ATOM 0 HB3 LEU A 24 -1.294 17.433 -10.080 1.00 50.00 H new ATOM 0 HG LEU A 24 -3.655 18.906 -11.315 1.00 75.00 H new ATOM 0 HD11 LEU A 24 -2.755 20.881 -10.095 1.00 75.00 H new ATOM 0 HD12 LEU A 24 -3.213 19.566 -8.988 1.00 75.00 H new ATOM 0 HD13 LEU A 24 -1.498 19.849 -9.372 1.00 75.00 H new ATOM 0 HD21 LEU A 24 -1.987 20.386 -12.407 1.00 75.00 H new ATOM 0 HD22 LEU A 24 -0.680 19.326 -11.828 1.00 75.00 H new ATOM 0 HD23 LEU A 24 -1.877 18.709 -12.992 1.00 75.00 H new ATOM 414 N GLU A 25 -0.500 14.939 -10.813 1.00 50.00 N ATOM 415 CA GLU A 25 0.176 13.752 -10.266 1.00 10.00 C ATOM 416 C GLU A 25 -0.529 13.260 -8.980 1.00 10.00 C ATOM 417 O GLU A 25 -0.669 14.042 -8.027 1.00 50.00 O ATOM 418 CB GLU A 25 1.664 14.076 -9.952 1.00 50.00 C ATOM 419 CG GLU A 25 2.505 14.442 -11.189 1.00 50.00 C ATOM 420 CD GLU A 25 3.893 15.000 -10.830 1.00 75.00 C ATOM 421 OE1 GLU A 25 4.848 14.211 -10.688 1.00 75.00 O ATOM 422 OE2 GLU A 25 4.034 16.238 -10.695 1.00 75.00 O ATOM 0 H GLU A 25 0.130 15.727 -10.959 1.00 50.00 H new ATOM 0 HA GLU A 25 0.129 12.962 -11.016 1.00 10.00 H new ATOM 0 HB2 GLU A 25 1.702 14.903 -9.243 1.00 50.00 H new ATOM 0 HB3 GLU A 25 2.116 13.214 -9.461 1.00 50.00 H new ATOM 0 HG2 GLU A 25 2.626 13.557 -11.814 1.00 50.00 H new ATOM 0 HG3 GLU A 25 1.965 15.180 -11.783 1.00 50.00 H new ATOM 429 N PRO A 26 -0.995 11.969 -8.943 1.00 10.00 N ATOM 430 CA PRO A 26 -1.620 11.368 -7.738 1.00 50.00 C ATOM 431 C PRO A 26 -0.673 11.436 -6.516 1.00 10.00 C ATOM 432 O PRO A 26 0.536 11.214 -6.654 1.00 50.00 O ATOM 433 CB PRO A 26 -1.921 9.901 -8.176 1.00 50.00 C ATOM 434 CG PRO A 26 -1.059 9.667 -9.377 1.00 50.00 C ATOM 435 CD PRO A 26 -0.979 11.003 -10.071 1.00 50.00 C ATOM 0 HA PRO A 26 -2.518 11.894 -7.414 1.00 50.00 H new ATOM 0 HB2 PRO A 26 -1.686 9.196 -7.379 1.00 50.00 H new ATOM 0 HB3 PRO A 26 -2.976 9.770 -8.417 1.00 50.00 H new ATOM 0 HG2 PRO A 26 -0.069 9.313 -9.089 1.00 50.00 H new ATOM 0 HG3 PRO A 26 -1.491 8.909 -10.030 1.00 50.00 H new ATOM 0 HD2 PRO A 26 -0.071 11.094 -10.667 1.00 50.00 H new ATOM 0 HD3 PRO A 26 -1.820 11.158 -10.746 1.00 50.00 H new ATOM 443 N ARG A 27 -1.231 11.756 -5.339 1.00 10.00 N ATOM 444 CA ARG A 27 -0.451 12.048 -4.124 1.00 10.00 C ATOM 445 C ARG A 27 -0.396 10.827 -3.197 1.00 10.00 C ATOM 446 O ARG A 27 -1.435 10.220 -2.898 1.00 50.00 O ATOM 447 CB ARG A 27 -1.060 13.264 -3.388 1.00 50.00 C ATOM 448 CG ARG A 27 -0.258 13.752 -2.162 1.00 50.00 C ATOM 449 CD ARG A 27 -0.822 15.056 -1.570 1.00 50.00 C ATOM 450 NE ARG A 27 -1.077 16.109 -2.586 1.00 50.00 N ATOM 451 CZ ARG A 27 -0.152 16.721 -3.358 1.00 75.00 C ATOM 452 NH1 ARG A 27 1.146 16.417 -3.267 1.00 75.00 N ATOM 453 NH2 ARG A 27 -0.542 17.647 -4.230 1.00 75.00 N ATOM 0 H ARG A 27 -2.240 11.820 -5.201 1.00 10.00 H new ATOM 0 HA ARG A 27 0.571 12.287 -4.418 1.00 10.00 H new ATOM 0 HB2 ARG A 27 -1.153 14.089 -4.095 1.00 50.00 H new ATOM 0 HB3 ARG A 27 -2.069 13.007 -3.065 1.00 50.00 H new ATOM 0 HG2 ARG A 27 -0.264 12.977 -1.396 1.00 50.00 H new ATOM 0 HG3 ARG A 27 0.782 13.907 -2.450 1.00 50.00 H new ATOM 0 HD2 ARG A 27 -1.752 14.835 -1.047 1.00 50.00 H new ATOM 0 HD3 ARG A 27 -0.122 15.441 -0.828 1.00 50.00 H new ATOM 0 HE ARG A 27 -2.047 16.399 -2.714 1.00 50.00 H new ATOM 0 HH11 ARG A 27 1.458 15.708 -2.603 1.00 75.00 H new ATOM 0 HH12 ARG A 27 1.824 16.894 -3.861 1.00 75.00 H new ATOM 0 HH21 ARG A 27 -1.530 17.888 -4.310 1.00 75.00 H new ATOM 0 HH22 ARG A 27 0.147 18.116 -4.818 1.00 75.00 H new ATOM 467 N TRP A 28 0.822 10.488 -2.746 1.00 10.00 N ATOM 468 CA TRP A 28 1.059 9.384 -1.804 1.00 10.00 C ATOM 469 C TRP A 28 0.653 9.786 -0.382 1.00 10.00 C ATOM 470 O TRP A 28 0.807 10.948 0.023 1.00 50.00 O ATOM 471 CB TRP A 28 2.547 8.912 -1.837 1.00 50.00 C ATOM 472 CG TRP A 28 3.567 9.951 -1.393 1.00 50.00 C ATOM 473 CD1 TRP A 28 4.169 10.899 -2.170 1.00 50.00 C ATOM 474 CD2 TRP A 28 4.104 10.132 -0.065 1.00 50.00 C ATOM 475 NE1 TRP A 28 5.048 11.635 -1.424 1.00 50.00 N ATOM 476 CE2 TRP A 28 5.022 11.195 -0.130 1.00 50.00 C ATOM 477 CE3 TRP A 28 3.893 9.505 1.169 1.00 50.00 C ATOM 478 CZ2 TRP A 28 5.730 11.640 0.980 1.00 50.00 C ATOM 479 CZ3 TRP A 28 4.599 9.948 2.274 1.00 50.00 C ATOM 480 CH2 TRP A 28 5.510 11.005 2.173 1.00 50.00 C ATOM 0 H TRP A 28 1.674 10.975 -3.026 1.00 10.00 H new ATOM 0 HA TRP A 28 0.437 8.545 -2.118 1.00 10.00 H new ATOM 0 HB2 TRP A 28 2.647 8.033 -1.200 1.00 50.00 H new ATOM 0 HB3 TRP A 28 2.790 8.599 -2.852 1.00 50.00 H new ATOM 0 HD1 TRP A 28 3.978 11.046 -3.223 1.00 50.00 H new ATOM 0 HE1 TRP A 28 5.631 12.393 -1.778 1.00 50.00 H new ATOM 0 HE3 TRP A 28 3.191 8.689 1.257 1.00 50.00 H new ATOM 0 HZ2 TRP A 28 6.430 12.459 0.904 1.00 50.00 H new ATOM 0 HZ3 TRP A 28 4.444 9.470 3.230 1.00 50.00 H new ATOM 0 HH2 TRP A 28 6.049 11.326 3.052 1.00 50.00 H new ATOM 491 N LYS A 29 0.112 8.816 0.356 1.00 10.00 N ATOM 492 CA LYS A 29 -0.135 8.927 1.805 1.00 10.00 C ATOM 493 C LYS A 29 0.523 7.730 2.498 1.00 10.00 C ATOM 494 O LYS A 29 0.790 6.705 1.851 1.00 50.00 O ATOM 495 CB LYS A 29 -1.657 8.960 2.111 1.00 50.00 C ATOM 496 CG LYS A 29 -2.425 10.131 1.456 1.00 50.00 C ATOM 497 CD LYS A 29 -3.912 10.178 1.879 1.00 50.00 C ATOM 498 CE LYS A 29 -4.692 8.903 1.502 1.00 50.00 C ATOM 499 NZ LYS A 29 -4.796 8.714 0.040 1.00 75.00 N ATOM 0 H LYS A 29 -0.173 7.918 -0.035 1.00 10.00 H new ATOM 0 HA LYS A 29 0.292 9.858 2.177 1.00 10.00 H new ATOM 0 HB2 LYS A 29 -2.101 8.022 1.778 1.00 50.00 H new ATOM 0 HB3 LYS A 29 -1.795 9.012 3.191 1.00 50.00 H new ATOM 0 HG2 LYS A 29 -1.945 11.072 1.726 1.00 50.00 H new ATOM 0 HG3 LYS A 29 -2.362 10.040 0.372 1.00 50.00 H new ATOM 0 HD2 LYS A 29 -3.972 10.327 2.957 1.00 50.00 H new ATOM 0 HD3 LYS A 29 -4.389 11.039 1.411 1.00 50.00 H new ATOM 0 HE2 LYS A 29 -4.200 8.036 1.943 1.00 50.00 H new ATOM 0 HE3 LYS A 29 -5.693 8.953 1.931 1.00 50.00 H new ATOM 0 HZ1 LYS A 29 -5.239 7.795 -0.161 1.00 75.00 H new ATOM 0 HZ2 LYS A 29 -5.377 9.474 -0.368 1.00 75.00 H new ATOM 0 HZ3 LYS A 29 -3.846 8.740 -0.382 1.00 75.00 H new ATOM 513 N GLY A 30 0.769 7.859 3.806 1.00 10.00 N ATOM 514 CA GLY A 30 1.351 6.780 4.584 1.00 10.00 C ATOM 515 C GLY A 30 1.756 7.227 5.991 1.00 10.00 C ATOM 516 O GLY A 30 1.456 8.359 6.378 1.00 50.00 O ATOM 0 H GLY A 30 0.571 8.704 4.341 1.00 10.00 H new ATOM 0 HA2 GLY A 30 0.635 5.962 4.658 1.00 10.00 H new ATOM 0 HA3 GLY A 30 2.226 6.391 4.063 1.00 10.00 H new ATOM 520 N PRO A 31 2.458 6.362 6.790 1.00 10.00 N ATOM 521 CA PRO A 31 2.890 5.002 6.379 1.00 10.00 C ATOM 522 C PRO A 31 1.786 3.927 6.583 1.00 10.00 C ATOM 523 O PRO A 31 1.341 3.668 7.708 1.00 50.00 O ATOM 524 CB PRO A 31 4.115 4.765 7.293 1.00 50.00 C ATOM 525 CG PRO A 31 3.795 5.495 8.565 1.00 50.00 C ATOM 526 CD PRO A 31 2.896 6.668 8.182 1.00 50.00 C ATOM 0 HA PRO A 31 3.113 4.926 5.315 1.00 10.00 H new ATOM 0 HB2 PRO A 31 4.271 3.702 7.476 1.00 50.00 H new ATOM 0 HB3 PRO A 31 5.028 5.148 6.837 1.00 50.00 H new ATOM 0 HG2 PRO A 31 3.292 4.837 9.273 1.00 50.00 H new ATOM 0 HG3 PRO A 31 4.706 5.847 9.049 1.00 50.00 H new ATOM 0 HD2 PRO A 31 2.044 6.752 8.857 1.00 50.00 H new ATOM 0 HD3 PRO A 31 3.435 7.614 8.230 1.00 50.00 H new ATOM 534 N TYR A 32 1.321 3.348 5.471 1.00 10.00 N ATOM 535 CA TYR A 32 0.389 2.204 5.475 1.00 10.00 C ATOM 536 C TYR A 32 1.125 0.900 5.848 1.00 10.00 C ATOM 537 O TYR A 32 2.353 0.849 5.796 1.00 50.00 O ATOM 538 CB TYR A 32 -0.287 2.077 4.086 1.00 50.00 C ATOM 539 CG TYR A 32 -1.328 3.165 3.784 1.00 50.00 C ATOM 540 CD1 TYR A 32 -2.654 3.015 4.208 1.00 50.00 C ATOM 541 CD2 TYR A 32 -1.005 4.323 3.082 1.00 50.00 C ATOM 542 CE1 TYR A 32 -3.608 3.972 3.938 1.00 50.00 C ATOM 543 CE2 TYR A 32 -1.964 5.284 2.811 1.00 50.00 C ATOM 544 CZ TYR A 32 -3.256 5.106 3.243 1.00 50.00 C ATOM 545 OH TYR A 32 -4.206 6.063 2.967 1.00 50.00 O ATOM 0 H TYR A 32 1.579 3.658 4.534 1.00 10.00 H new ATOM 0 HA TYR A 32 -0.381 2.378 6.227 1.00 10.00 H new ATOM 0 HB2 TYR A 32 0.484 2.106 3.316 1.00 50.00 H new ATOM 0 HB3 TYR A 32 -0.769 1.102 4.018 1.00 50.00 H new ATOM 0 HD1 TYR A 32 -2.935 2.130 4.759 1.00 50.00 H new ATOM 0 HD2 TYR A 32 0.009 4.474 2.744 1.00 50.00 H new ATOM 0 HE1 TYR A 32 -4.626 3.833 4.270 1.00 50.00 H new ATOM 0 HE2 TYR A 32 -1.697 6.174 2.260 1.00 50.00 H new ATOM 0 HH TYR A 32 -4.886 6.062 3.672 1.00 50.00 H new ATOM 555 N THR A 33 0.366 -0.142 6.239 1.00 10.00 N ATOM 556 CA THR A 33 0.935 -1.436 6.681 1.00 10.00 C ATOM 557 C THR A 33 0.237 -2.627 5.978 1.00 10.00 C ATOM 558 O THR A 33 -0.929 -2.911 6.256 1.00 50.00 O ATOM 559 CB THR A 33 0.809 -1.571 8.242 1.00 50.00 C ATOM 560 OG1 THR A 33 -0.531 -1.266 8.667 1.00 50.00 O ATOM 561 CG2 THR A 33 1.807 -0.663 8.992 1.00 50.00 C ATOM 0 H THR A 33 -0.653 -0.114 6.258 1.00 10.00 H new ATOM 0 HA THR A 33 1.989 -1.458 6.404 1.00 10.00 H new ATOM 0 HB THR A 33 1.048 -2.605 8.489 1.00 50.00 H new ATOM 0 HG1 THR A 33 -1.172 -1.692 8.060 1.00 50.00 H new ATOM 0 HG21 THR A 33 1.680 -0.793 10.067 1.00 50.00 H new ATOM 0 HG22 THR A 33 2.825 -0.932 8.712 1.00 50.00 H new ATOM 0 HG23 THR A 33 1.621 0.378 8.728 1.00 50.00 H new ATOM 569 N VAL A 34 0.977 -3.326 5.094 1.00 10.00 N ATOM 570 CA VAL A 34 0.472 -4.487 4.341 1.00 10.00 C ATOM 571 C VAL A 34 0.490 -5.746 5.222 1.00 10.00 C ATOM 572 O VAL A 34 1.531 -6.098 5.798 1.00 50.00 O ATOM 573 CB VAL A 34 1.321 -4.746 3.036 1.00 50.00 C ATOM 574 CG1 VAL A 34 0.775 -5.933 2.219 1.00 50.00 C ATOM 575 CG2 VAL A 34 1.399 -3.482 2.164 1.00 50.00 C ATOM 0 H VAL A 34 1.948 -3.097 4.883 1.00 10.00 H new ATOM 0 HA VAL A 34 -0.553 -4.263 4.045 1.00 10.00 H new ATOM 0 HB VAL A 34 2.329 -5.005 3.360 1.00 50.00 H new ATOM 0 HG11 VAL A 34 1.389 -6.076 1.330 1.00 50.00 H new ATOM 0 HG12 VAL A 34 0.802 -6.837 2.828 1.00 50.00 H new ATOM 0 HG13 VAL A 34 -0.253 -5.727 1.921 1.00 50.00 H new ATOM 0 HG21 VAL A 34 1.990 -3.691 1.272 1.00 50.00 H new ATOM 0 HG22 VAL A 34 0.394 -3.180 1.870 1.00 50.00 H new ATOM 0 HG23 VAL A 34 1.869 -2.678 2.730 1.00 50.00 H new ATOM 585 N LEU A 35 -0.674 -6.407 5.327 1.00 10.00 N ATOM 586 CA LEU A 35 -0.813 -7.691 6.035 1.00 10.00 C ATOM 587 C LEU A 35 -0.756 -8.862 5.033 1.00 10.00 C ATOM 588 O LEU A 35 -0.246 -9.939 5.351 1.00 50.00 O ATOM 589 CB LEU A 35 -2.138 -7.748 6.852 1.00 50.00 C ATOM 590 CG LEU A 35 -2.373 -6.594 7.879 1.00 50.00 C ATOM 591 CD1 LEU A 35 -3.649 -6.849 8.708 1.00 50.00 C ATOM 592 CD2 LEU A 35 -1.156 -6.372 8.803 1.00 50.00 C ATOM 0 H LEU A 35 -1.546 -6.066 4.923 1.00 10.00 H new ATOM 0 HA LEU A 35 0.018 -7.779 6.735 1.00 10.00 H new ATOM 0 HB2 LEU A 35 -2.972 -7.755 6.150 1.00 50.00 H new ATOM 0 HB3 LEU A 35 -2.166 -8.695 7.391 1.00 50.00 H new ATOM 0 HG LEU A 35 -2.507 -5.679 7.303 1.00 50.00 H new ATOM 0 HD11 LEU A 35 -3.792 -6.033 9.416 1.00 50.00 H new ATOM 0 HD12 LEU A 35 -4.510 -6.907 8.042 1.00 50.00 H new ATOM 0 HD13 LEU A 35 -3.548 -7.788 9.252 1.00 50.00 H new ATOM 0 HD21 LEU A 35 -1.370 -5.560 9.498 1.00 50.00 H new ATOM 0 HD22 LEU A 35 -0.953 -7.285 9.363 1.00 50.00 H new ATOM 0 HD23 LEU A 35 -0.284 -6.114 8.201 1.00 50.00 H new ATOM 604 N LEU A 36 -1.278 -8.632 3.812 1.00 10.00 N ATOM 605 CA LEU A 36 -1.428 -9.706 2.803 1.00 10.00 C ATOM 606 C LEU A 36 -0.966 -9.208 1.421 1.00 10.00 C ATOM 607 O LEU A 36 -1.238 -8.072 1.056 1.00 50.00 O ATOM 608 CB LEU A 36 -2.914 -10.154 2.750 1.00 50.00 C ATOM 609 CG LEU A 36 -3.256 -11.356 1.810 1.00 50.00 C ATOM 610 CD1 LEU A 36 -2.626 -12.660 2.328 1.00 50.00 C ATOM 611 CD2 LEU A 36 -4.782 -11.495 1.624 1.00 50.00 C ATOM 0 H LEU A 36 -1.602 -7.717 3.499 1.00 10.00 H new ATOM 0 HA LEU A 36 -0.806 -10.556 3.083 1.00 10.00 H new ATOM 0 HB2 LEU A 36 -3.226 -10.414 3.761 1.00 50.00 H new ATOM 0 HB3 LEU A 36 -3.515 -9.299 2.441 1.00 50.00 H new ATOM 0 HG LEU A 36 -2.824 -11.153 0.830 1.00 50.00 H new ATOM 0 HD11 LEU A 36 -2.880 -13.479 1.655 1.00 50.00 H new ATOM 0 HD12 LEU A 36 -1.543 -12.549 2.371 1.00 50.00 H new ATOM 0 HD13 LEU A 36 -3.008 -12.878 3.325 1.00 50.00 H new ATOM 0 HD21 LEU A 36 -4.993 -12.338 0.966 1.00 50.00 H new ATOM 0 HD22 LEU A 36 -5.253 -11.664 2.593 1.00 50.00 H new ATOM 0 HD23 LEU A 36 -5.179 -10.581 1.182 1.00 50.00 H new ATOM 623 N THR A 37 -0.277 -10.074 0.656 1.00 10.00 N ATOM 624 CA THR A 37 0.161 -9.762 -0.721 1.00 10.00 C ATOM 625 C THR A 37 -0.270 -10.885 -1.680 1.00 10.00 C ATOM 626 O THR A 37 -0.025 -12.073 -1.418 1.00 50.00 O ATOM 627 CB THR A 37 1.714 -9.546 -0.834 1.00 50.00 C ATOM 628 OG1 THR A 37 2.433 -10.689 -0.371 1.00 50.00 O ATOM 629 CG2 THR A 37 2.186 -8.315 -0.052 1.00 50.00 C ATOM 0 H THR A 37 -0.008 -11.006 0.971 1.00 10.00 H new ATOM 0 HA THR A 37 -0.320 -8.823 -0.997 1.00 10.00 H new ATOM 0 HB THR A 37 1.920 -9.388 -1.893 1.00 50.00 H new ATOM 0 HG1 THR A 37 3.381 -10.594 -0.600 1.00 50.00 H new ATOM 0 HG21 THR A 37 3.265 -8.207 -0.160 1.00 50.00 H new ATOM 0 HG22 THR A 37 1.692 -7.425 -0.441 1.00 50.00 H new ATOM 0 HG23 THR A 37 1.937 -8.436 1.002 1.00 50.00 H new ATOM 637 N THR A 38 -0.915 -10.480 -2.782 1.00 10.00 N ATOM 638 CA THR A 38 -1.392 -11.366 -3.863 1.00 10.00 C ATOM 639 C THR A 38 -1.014 -10.723 -5.237 1.00 10.00 C ATOM 640 O THR A 38 -0.665 -9.531 -5.263 1.00 50.00 O ATOM 641 CB THR A 38 -2.950 -11.580 -3.737 1.00 50.00 C ATOM 642 OG1 THR A 38 -3.604 -10.311 -3.613 1.00 50.00 O ATOM 643 CG2 THR A 38 -3.345 -12.479 -2.537 1.00 50.00 C ATOM 0 H THR A 38 -1.128 -9.498 -2.955 1.00 10.00 H new ATOM 0 HA THR A 38 -0.919 -12.345 -3.788 1.00 10.00 H new ATOM 0 HB THR A 38 -3.271 -12.093 -4.644 1.00 50.00 H new ATOM 0 HG1 THR A 38 -2.967 -9.594 -3.814 1.00 50.00 H new ATOM 0 HG21 THR A 38 -4.429 -12.588 -2.505 1.00 50.00 H new ATOM 0 HG22 THR A 38 -2.885 -13.461 -2.651 1.00 50.00 H new ATOM 0 HG23 THR A 38 -2.999 -12.022 -1.610 1.00 50.00 H new ATOM 651 N PRO A 39 -1.029 -11.496 -6.378 1.00 10.00 N ATOM 652 CA PRO A 39 -0.673 -10.969 -7.732 1.00 10.00 C ATOM 653 C PRO A 39 -1.329 -9.606 -8.087 1.00 10.00 C ATOM 654 O PRO A 39 -2.562 -9.525 -8.223 1.00 50.00 O ATOM 655 CB PRO A 39 -1.170 -12.094 -8.675 1.00 50.00 C ATOM 656 CG PRO A 39 -0.988 -13.348 -7.872 1.00 50.00 C ATOM 657 CD PRO A 39 -1.336 -12.960 -6.444 1.00 50.00 C ATOM 0 HA PRO A 39 0.392 -10.751 -7.806 1.00 10.00 H new ATOM 0 HB2 PRO A 39 -2.213 -11.948 -8.956 1.00 50.00 H new ATOM 0 HB3 PRO A 39 -0.593 -12.124 -9.599 1.00 50.00 H new ATOM 0 HG2 PRO A 39 -1.638 -14.145 -8.233 1.00 50.00 H new ATOM 0 HG3 PRO A 39 0.036 -13.715 -7.942 1.00 50.00 H new ATOM 0 HD2 PRO A 39 -2.385 -13.158 -6.221 1.00 50.00 H new ATOM 0 HD3 PRO A 39 -0.745 -13.524 -5.722 1.00 50.00 H new ATOM 665 N THR A 40 -0.484 -8.545 -8.151 1.00 10.00 N ATOM 666 CA THR A 40 -0.866 -7.186 -8.620 1.00 10.00 C ATOM 667 C THR A 40 -1.840 -6.459 -7.630 1.00 10.00 C ATOM 668 O THR A 40 -2.343 -5.360 -7.916 1.00 50.00 O ATOM 669 CB THR A 40 -1.447 -7.256 -10.088 1.00 50.00 C ATOM 670 OG1 THR A 40 -0.586 -8.078 -10.897 1.00 50.00 O ATOM 671 CG2 THR A 40 -1.557 -5.874 -10.763 1.00 50.00 C ATOM 0 H THR A 40 0.496 -8.610 -7.875 1.00 10.00 H new ATOM 0 HA THR A 40 0.037 -6.576 -8.642 1.00 10.00 H new ATOM 0 HB THR A 40 -2.452 -7.671 -10.008 1.00 50.00 H new ATOM 0 HG1 THR A 40 -0.942 -8.127 -11.809 1.00 50.00 H new ATOM 0 HG21 THR A 40 -1.962 -5.991 -11.768 1.00 50.00 H new ATOM 0 HG22 THR A 40 -2.218 -5.235 -10.177 1.00 50.00 H new ATOM 0 HG23 THR A 40 -0.569 -5.418 -10.821 1.00 50.00 H new ATOM 679 N ALA A 41 -2.050 -7.046 -6.437 1.00 10.00 N ATOM 680 CA ALA A 41 -2.959 -6.485 -5.424 1.00 10.00 C ATOM 681 C ALA A 41 -2.436 -6.794 -4.017 1.00 10.00 C ATOM 682 O ALA A 41 -2.255 -7.958 -3.666 1.00 50.00 O ATOM 683 CB ALA A 41 -4.373 -7.053 -5.617 1.00 50.00 C ATOM 0 H ALA A 41 -1.598 -7.915 -6.151 1.00 10.00 H new ATOM 0 HA ALA A 41 -3.002 -5.402 -5.543 1.00 10.00 H new ATOM 0 HB1 ALA A 41 -5.040 -6.633 -4.864 1.00 50.00 H new ATOM 0 HB2 ALA A 41 -4.738 -6.792 -6.610 1.00 50.00 H new ATOM 0 HB3 ALA A 41 -4.347 -8.138 -5.514 1.00 50.00 H new ATOM 689 N LEU A 42 -2.193 -5.756 -3.209 1.00 10.00 N ATOM 690 CA LEU A 42 -1.601 -5.888 -1.868 1.00 10.00 C ATOM 691 C LEU A 42 -2.604 -5.348 -0.834 1.00 10.00 C ATOM 692 O LEU A 42 -3.016 -4.183 -0.930 1.00 50.00 O ATOM 693 CB LEU A 42 -0.242 -5.112 -1.797 1.00 50.00 C ATOM 694 CG LEU A 42 0.772 -5.336 -2.980 1.00 50.00 C ATOM 695 CD1 LEU A 42 2.091 -4.580 -2.740 1.00 50.00 C ATOM 696 CD2 LEU A 42 1.047 -6.829 -3.263 1.00 50.00 C ATOM 0 H LEU A 42 -2.403 -4.792 -3.467 1.00 10.00 H new ATOM 0 HA LEU A 42 -1.392 -6.936 -1.651 1.00 10.00 H new ATOM 0 HB2 LEU A 42 -0.463 -4.046 -1.738 1.00 50.00 H new ATOM 0 HB3 LEU A 42 0.256 -5.386 -0.867 1.00 50.00 H new ATOM 0 HG LEU A 42 0.292 -4.927 -3.869 1.00 50.00 H new ATOM 0 HD11 LEU A 42 2.769 -4.756 -3.575 1.00 50.00 H new ATOM 0 HD12 LEU A 42 1.888 -3.512 -2.656 1.00 50.00 H new ATOM 0 HD13 LEU A 42 2.552 -4.935 -1.818 1.00 50.00 H new ATOM 0 HD21 LEU A 42 1.753 -6.919 -4.089 1.00 50.00 H new ATOM 0 HD22 LEU A 42 1.468 -7.297 -2.373 1.00 50.00 H new ATOM 0 HD23 LEU A 42 0.114 -7.327 -3.528 1.00 50.00 H new ATOM 708 N LYS A 43 -3.014 -6.180 0.136 1.00 10.00 N ATOM 709 CA LYS A 43 -3.965 -5.782 1.184 1.00 10.00 C ATOM 710 C LYS A 43 -3.237 -5.119 2.365 1.00 10.00 C ATOM 711 O LYS A 43 -2.458 -5.777 3.084 1.00 50.00 O ATOM 712 CB LYS A 43 -4.784 -6.986 1.715 1.00 50.00 C ATOM 713 CG LYS A 43 -5.742 -6.611 2.882 1.00 50.00 C ATOM 714 CD LYS A 43 -6.525 -7.812 3.453 1.00 50.00 C ATOM 715 CE LYS A 43 -7.436 -7.392 4.621 1.00 50.00 C ATOM 716 NZ LYS A 43 -8.234 -8.531 5.159 1.00 75.00 N ATOM 0 H LYS A 43 -2.696 -7.146 0.215 1.00 10.00 H new ATOM 0 HA LYS A 43 -4.650 -5.069 0.724 1.00 10.00 H new ATOM 0 HB2 LYS A 43 -5.367 -7.409 0.897 1.00 50.00 H new ATOM 0 HB3 LYS A 43 -4.098 -7.763 2.053 1.00 50.00 H new ATOM 0 HG2 LYS A 43 -5.162 -6.153 3.683 1.00 50.00 H new ATOM 0 HG3 LYS A 43 -6.450 -5.860 2.532 1.00 50.00 H new ATOM 0 HD2 LYS A 43 -7.128 -8.262 2.664 1.00 50.00 H new ATOM 0 HD3 LYS A 43 -5.825 -8.575 3.793 1.00 50.00 H new ATOM 0 HE2 LYS A 43 -6.826 -6.970 5.420 1.00 50.00 H new ATOM 0 HE3 LYS A 43 -8.112 -6.605 4.286 1.00 50.00 H new ATOM 0 HZ1 LYS A 43 -8.831 -8.197 5.943 1.00 75.00 H new ATOM 0 HZ2 LYS A 43 -8.837 -8.919 4.406 1.00 75.00 H new ATOM 0 HZ3 LYS A 43 -7.592 -9.272 5.504 1.00 75.00 H new ATOM 730 N VAL A 44 -3.510 -3.823 2.537 1.00 10.00 N ATOM 731 CA VAL A 44 -3.142 -3.038 3.720 1.00 10.00 C ATOM 732 C VAL A 44 -4.271 -3.141 4.783 1.00 10.00 C ATOM 733 O VAL A 44 -5.449 -3.285 4.428 1.00 50.00 O ATOM 734 CB VAL A 44 -2.910 -1.532 3.310 1.00 50.00 C ATOM 735 CG1 VAL A 44 -2.666 -0.630 4.535 1.00 50.00 C ATOM 736 CG2 VAL A 44 -1.763 -1.399 2.279 1.00 50.00 C ATOM 0 H VAL A 44 -4.008 -3.274 1.836 1.00 10.00 H new ATOM 0 HA VAL A 44 -2.218 -3.431 4.145 1.00 10.00 H new ATOM 0 HB VAL A 44 -3.828 -1.187 2.835 1.00 50.00 H new ATOM 0 HG11 VAL A 44 -2.511 0.397 4.205 1.00 50.00 H new ATOM 0 HG12 VAL A 44 -3.531 -0.672 5.196 1.00 50.00 H new ATOM 0 HG13 VAL A 44 -1.782 -0.976 5.071 1.00 50.00 H new ATOM 0 HG21 VAL A 44 -1.629 -0.349 2.017 1.00 50.00 H new ATOM 0 HG22 VAL A 44 -0.840 -1.787 2.710 1.00 50.00 H new ATOM 0 HG23 VAL A 44 -2.012 -1.967 1.383 1.00 50.00 H new ATOM 746 N ASP A 45 -3.898 -3.065 6.077 1.00 10.00 N ATOM 747 CA ASP A 45 -4.858 -3.031 7.196 1.00 10.00 C ATOM 748 C ASP A 45 -5.698 -1.735 7.145 1.00 10.00 C ATOM 749 O ASP A 45 -5.145 -0.632 7.032 1.00 50.00 O ATOM 750 CB ASP A 45 -4.097 -3.130 8.536 1.00 50.00 C ATOM 751 CG ASP A 45 -5.027 -3.159 9.763 1.00 50.00 C ATOM 752 OD1 ASP A 45 -5.634 -4.224 10.038 1.00 50.00 O ATOM 753 OD2 ASP A 45 -5.153 -2.125 10.460 1.00 50.00 O ATOM 0 H ASP A 45 -2.923 -3.026 6.374 1.00 10.00 H new ATOM 0 HA ASP A 45 -5.536 -3.880 7.110 1.00 10.00 H new ATOM 0 HB2 ASP A 45 -3.484 -4.031 8.532 1.00 50.00 H new ATOM 0 HB3 ASP A 45 -3.417 -2.282 8.624 1.00 50.00 H new ATOM 758 N GLY A 46 -7.030 -1.894 7.201 1.00 10.00 N ATOM 759 CA GLY A 46 -7.973 -0.773 7.098 1.00 10.00 C ATOM 760 C GLY A 46 -8.667 -0.736 5.745 1.00 10.00 C ATOM 761 O GLY A 46 -9.795 -0.237 5.635 1.00 50.00 O ATOM 0 H GLY A 46 -7.481 -2.801 7.319 1.00 10.00 H new ATOM 0 HA2 GLY A 46 -8.721 -0.854 7.887 1.00 10.00 H new ATOM 0 HA3 GLY A 46 -7.441 0.165 7.258 1.00 10.00 H new ATOM 765 N ILE A 47 -7.988 -1.262 4.709 1.00 10.00 N ATOM 766 CA ILE A 47 -8.523 -1.336 3.337 1.00 10.00 C ATOM 767 C ILE A 47 -9.587 -2.450 3.245 1.00 10.00 C ATOM 768 O ILE A 47 -9.466 -3.472 3.931 1.00 50.00 O ATOM 769 CB ILE A 47 -7.361 -1.587 2.305 1.00 50.00 C ATOM 770 CG1 ILE A 47 -6.286 -0.453 2.407 1.00 50.00 C ATOM 771 CG2 ILE A 47 -7.880 -1.745 0.852 1.00 50.00 C ATOM 772 CD1 ILE A 47 -6.787 0.959 2.143 1.00 50.00 C ATOM 0 H ILE A 47 -7.049 -1.649 4.801 1.00 10.00 H new ATOM 0 HA ILE A 47 -8.994 -0.384 3.090 1.00 10.00 H new ATOM 0 HB ILE A 47 -6.892 -2.536 2.567 1.00 50.00 H new ATOM 0 HG12 ILE A 47 -5.848 -0.482 3.405 1.00 50.00 H new ATOM 0 HG13 ILE A 47 -5.485 -0.672 1.701 1.00 50.00 H new ATOM 0 HG21 ILE A 47 -7.038 -1.916 0.181 1.00 50.00 H new ATOM 0 HG22 ILE A 47 -8.563 -2.593 0.800 1.00 50.00 H new ATOM 0 HG23 ILE A 47 -8.404 -0.838 0.552 1.00 50.00 H new ATOM 0 HD11 ILE A 47 -5.960 1.663 2.240 1.00 50.00 H new ATOM 0 HD12 ILE A 47 -7.196 1.017 1.134 1.00 50.00 H new ATOM 0 HD13 ILE A 47 -7.564 1.210 2.865 1.00 50.00 H new ATOM 784 N ALA A 48 -10.609 -2.227 2.385 1.00 10.00 N ATOM 785 CA ALA A 48 -11.770 -3.126 2.229 1.00 10.00 C ATOM 786 C ALA A 48 -11.356 -4.559 1.864 1.00 10.00 C ATOM 787 O ALA A 48 -11.809 -5.515 2.498 1.00 50.00 O ATOM 788 CB ALA A 48 -12.749 -2.555 1.185 1.00 50.00 C ATOM 0 H ALA A 48 -10.648 -1.410 1.776 1.00 10.00 H new ATOM 0 HA ALA A 48 -12.272 -3.181 3.195 1.00 10.00 H new ATOM 0 HB1 ALA A 48 -13.601 -3.227 1.079 1.00 50.00 H new ATOM 0 HB2 ALA A 48 -13.098 -1.575 1.511 1.00 50.00 H new ATOM 0 HB3 ALA A 48 -12.242 -2.458 0.225 1.00 50.00 H new ATOM 794 N ALA A 49 -10.481 -4.704 0.848 1.00 10.00 N ATOM 795 CA ALA A 49 -9.963 -6.027 0.451 1.00 10.00 C ATOM 796 C ALA A 49 -8.535 -5.946 -0.120 1.00 10.00 C ATOM 797 O ALA A 49 -7.651 -6.653 0.359 1.00 50.00 O ATOM 798 CB ALA A 49 -10.929 -6.704 -0.530 1.00 50.00 C ATOM 0 H ALA A 49 -10.121 -3.928 0.292 1.00 10.00 H new ATOM 0 HA ALA A 49 -9.898 -6.642 1.348 1.00 10.00 H new ATOM 0 HB1 ALA A 49 -10.534 -7.679 -0.815 1.00 50.00 H new ATOM 0 HB2 ALA A 49 -11.901 -6.831 -0.054 1.00 50.00 H new ATOM 0 HB3 ALA A 49 -11.039 -6.083 -1.419 1.00 50.00 H new ATOM 804 N TRP A 50 -8.308 -5.121 -1.165 1.00 10.00 N ATOM 805 CA TRP A 50 -6.963 -4.963 -1.796 1.00 10.00 C ATOM 806 C TRP A 50 -6.709 -3.532 -2.297 1.00 10.00 C ATOM 807 O TRP A 50 -7.649 -2.772 -2.556 1.00 50.00 O ATOM 808 CB TRP A 50 -6.761 -5.959 -2.973 1.00 50.00 C ATOM 809 CG TRP A 50 -6.635 -7.411 -2.566 1.00 50.00 C ATOM 810 CD1 TRP A 50 -5.523 -8.038 -2.075 1.00 50.00 C ATOM 811 CD2 TRP A 50 -7.661 -8.414 -2.629 1.00 50.00 C ATOM 812 NE1 TRP A 50 -5.799 -9.359 -1.825 1.00 50.00 N ATOM 813 CE2 TRP A 50 -7.104 -9.613 -2.157 1.00 50.00 C ATOM 814 CE3 TRP A 50 -8.997 -8.401 -3.038 1.00 50.00 C ATOM 815 CZ2 TRP A 50 -7.838 -10.792 -2.078 1.00 50.00 C ATOM 816 CZ3 TRP A 50 -9.726 -9.569 -2.964 1.00 50.00 C ATOM 817 CH2 TRP A 50 -9.150 -10.751 -2.488 1.00 50.00 C ATOM 0 H TRP A 50 -9.035 -4.550 -1.596 1.00 10.00 H new ATOM 0 HA TRP A 50 -6.242 -5.183 -1.009 1.00 10.00 H new ATOM 0 HB2 TRP A 50 -7.601 -5.861 -3.660 1.00 50.00 H new ATOM 0 HB3 TRP A 50 -5.865 -5.672 -3.523 1.00 50.00 H new ATOM 0 HD1 TRP A 50 -4.567 -7.563 -1.908 1.00 50.00 H new ATOM 0 HE1 TRP A 50 -5.139 -10.042 -1.452 1.00 50.00 H new ATOM 0 HE3 TRP A 50 -9.451 -7.492 -3.406 1.00 50.00 H new ATOM 0 HZ2 TRP A 50 -7.394 -11.705 -1.709 1.00 50.00 H new ATOM 0 HZ3 TRP A 50 -10.759 -9.571 -3.279 1.00 50.00 H new ATOM 0 HH2 TRP A 50 -9.747 -11.650 -2.441 1.00 50.00 H new ATOM 828 N ILE A 51 -5.412 -3.190 -2.436 1.00 10.00 N ATOM 829 CA ILE A 51 -4.925 -2.003 -3.173 1.00 10.00 C ATOM 830 C ILE A 51 -4.165 -2.476 -4.418 1.00 10.00 C ATOM 831 O ILE A 51 -3.360 -3.393 -4.330 1.00 50.00 O ATOM 832 CB ILE A 51 -3.973 -1.105 -2.278 1.00 50.00 C ATOM 833 CG1 ILE A 51 -4.766 -0.467 -1.101 1.00 50.00 C ATOM 834 CG2 ILE A 51 -3.238 -0.013 -3.110 1.00 50.00 C ATOM 835 CD1 ILE A 51 -5.906 0.437 -1.538 1.00 50.00 C ATOM 0 H ILE A 51 -4.656 -3.743 -2.031 1.00 10.00 H new ATOM 0 HA ILE A 51 -5.784 -1.393 -3.454 1.00 10.00 H new ATOM 0 HB ILE A 51 -3.206 -1.760 -1.866 1.00 50.00 H new ATOM 0 HG12 ILE A 51 -5.168 -1.263 -0.474 1.00 50.00 H new ATOM 0 HG13 ILE A 51 -4.077 0.108 -0.483 1.00 50.00 H new ATOM 0 HG21 ILE A 51 -2.598 0.576 -2.453 1.00 50.00 H new ATOM 0 HG22 ILE A 51 -2.629 -0.489 -3.878 1.00 50.00 H new ATOM 0 HG23 ILE A 51 -3.972 0.640 -3.582 1.00 50.00 H new ATOM 0 HD11 ILE A 51 -6.407 0.841 -0.659 1.00 50.00 H new ATOM 0 HD12 ILE A 51 -5.511 1.256 -2.139 1.00 50.00 H new ATOM 0 HD13 ILE A 51 -6.619 -0.137 -2.130 1.00 50.00 H new ATOM 847 N HIS A 52 -4.414 -1.838 -5.570 1.00 10.00 N ATOM 848 CA HIS A 52 -3.703 -2.144 -6.825 1.00 10.00 C ATOM 849 C HIS A 52 -2.220 -1.730 -6.658 1.00 10.00 C ATOM 850 O HIS A 52 -1.939 -0.562 -6.348 1.00 50.00 O ATOM 851 CB HIS A 52 -4.368 -1.378 -7.993 1.00 50.00 C ATOM 852 CG HIS A 52 -3.928 -1.804 -9.358 1.00 50.00 C ATOM 853 ND1 HIS A 52 -2.755 -1.395 -9.938 1.00 50.00 N ATOM 854 CD2 HIS A 52 -4.532 -2.607 -10.263 1.00 50.00 C ATOM 855 CE1 HIS A 52 -2.648 -1.940 -11.131 1.00 50.00 C ATOM 856 NE2 HIS A 52 -3.713 -2.672 -11.353 1.00 50.00 N ATOM 0 H HIS A 52 -5.110 -1.098 -5.661 1.00 10.00 H new ATOM 0 HA HIS A 52 -3.753 -3.210 -7.049 1.00 10.00 H new ATOM 0 HB2 HIS A 52 -5.449 -1.501 -7.921 1.00 50.00 H new ATOM 0 HB3 HIS A 52 -4.160 -0.314 -7.876 1.00 50.00 H new ATOM 0 HD2 HIS A 52 -5.484 -3.104 -10.145 1.00 50.00 H new ATOM 0 HE1 HIS A 52 -1.821 -1.807 -11.813 1.00 50.00 H new ATOM 0 HE2 HIS A 52 -3.899 -3.204 -12.203 1.00 50.00 H new ATOM 865 N ALA A 53 -1.301 -2.688 -6.896 1.00 10.00 N ATOM 866 CA ALA A 53 0.125 -2.614 -6.485 1.00 10.00 C ATOM 867 C ALA A 53 0.911 -1.453 -7.139 1.00 10.00 C ATOM 868 O ALA A 53 1.951 -1.038 -6.612 1.00 50.00 O ATOM 869 CB ALA A 53 0.821 -3.974 -6.729 1.00 50.00 C ATOM 0 H ALA A 53 -1.528 -3.552 -7.388 1.00 10.00 H new ATOM 0 HA ALA A 53 0.127 -2.392 -5.418 1.00 10.00 H new ATOM 0 HB1 ALA A 53 1.865 -3.908 -6.424 1.00 50.00 H new ATOM 0 HB2 ALA A 53 0.321 -4.748 -6.147 1.00 50.00 H new ATOM 0 HB3 ALA A 53 0.767 -4.225 -7.788 1.00 50.00 H new ATOM 875 N ALA A 54 0.395 -0.912 -8.256 1.00 10.00 N ATOM 876 CA ALA A 54 0.992 0.256 -8.950 1.00 10.00 C ATOM 877 C ALA A 54 0.903 1.548 -8.109 1.00 10.00 C ATOM 878 O ALA A 54 1.545 2.552 -8.435 1.00 50.00 O ATOM 879 CB ALA A 54 0.324 0.453 -10.317 1.00 50.00 C ATOM 0 H ALA A 54 -0.447 -1.268 -8.708 1.00 10.00 H new ATOM 0 HA ALA A 54 2.052 0.045 -9.094 1.00 10.00 H new ATOM 0 HB1 ALA A 54 0.769 1.312 -10.819 1.00 50.00 H new ATOM 0 HB2 ALA A 54 0.471 -0.439 -10.926 1.00 50.00 H new ATOM 0 HB3 ALA A 54 -0.743 0.626 -10.179 1.00 50.00 H new ATOM 885 N HIS A 55 0.107 1.512 -7.028 1.00 10.00 N ATOM 886 CA HIS A 55 -0.044 2.642 -6.091 1.00 10.00 C ATOM 887 C HIS A 55 0.850 2.461 -4.849 1.00 10.00 C ATOM 888 O HIS A 55 1.073 3.411 -4.107 1.00 50.00 O ATOM 889 CB HIS A 55 -1.528 2.782 -5.665 1.00 50.00 C ATOM 890 CG HIS A 55 -2.466 3.092 -6.805 1.00 50.00 C ATOM 891 ND1 HIS A 55 -2.529 4.331 -7.410 1.00 50.00 N ATOM 892 CD2 HIS A 55 -3.351 2.317 -7.475 1.00 50.00 C ATOM 893 CE1 HIS A 55 -3.397 4.299 -8.394 1.00 50.00 C ATOM 894 NE2 HIS A 55 -3.909 3.093 -8.454 1.00 50.00 N ATOM 0 H HIS A 55 -0.452 0.697 -6.777 1.00 10.00 H new ATOM 0 HA HIS A 55 0.271 3.552 -6.602 1.00 10.00 H new ATOM 0 HB2 HIS A 55 -1.847 1.856 -5.187 1.00 50.00 H new ATOM 0 HB3 HIS A 55 -1.608 3.571 -4.917 1.00 50.00 H new ATOM 0 HD1 HIS A 55 -1.984 5.148 -7.134 1.00 50.00 H new ATOM 0 HD2 HIS A 55 -3.575 1.280 -7.274 1.00 50.00 H new ATOM 0 HE1 HIS A 55 -3.647 5.125 -9.043 1.00 50.00 H new ATOM 903 N VAL A 56 1.412 1.253 -4.673 1.00 10.00 N ATOM 904 CA VAL A 56 2.115 0.874 -3.431 1.00 10.00 C ATOM 905 C VAL A 56 3.638 1.072 -3.587 1.00 10.00 C ATOM 906 O VAL A 56 4.250 0.527 -4.512 1.00 50.00 O ATOM 907 CB VAL A 56 1.799 -0.623 -3.063 1.00 50.00 C ATOM 908 CG1 VAL A 56 2.530 -1.063 -1.781 1.00 50.00 C ATOM 909 CG2 VAL A 56 0.278 -0.850 -2.927 1.00 50.00 C ATOM 0 H VAL A 56 1.394 0.517 -5.379 1.00 10.00 H new ATOM 0 HA VAL A 56 1.763 1.518 -2.625 1.00 10.00 H new ATOM 0 HB VAL A 56 2.168 -1.241 -3.881 1.00 50.00 H new ATOM 0 HG11 VAL A 56 2.286 -2.102 -1.561 1.00 50.00 H new ATOM 0 HG12 VAL A 56 3.606 -0.966 -1.924 1.00 50.00 H new ATOM 0 HG13 VAL A 56 2.216 -0.433 -0.949 1.00 50.00 H new ATOM 0 HG21 VAL A 56 0.087 -1.892 -2.672 1.00 50.00 H new ATOM 0 HG22 VAL A 56 -0.117 -0.206 -2.141 1.00 50.00 H new ATOM 0 HG23 VAL A 56 -0.211 -0.612 -3.871 1.00 50.00 H new ATOM 919 N LYS A 57 4.225 1.865 -2.671 1.00 10.00 N ATOM 920 CA LYS A 57 5.666 2.169 -2.631 1.00 10.00 C ATOM 921 C LYS A 57 6.249 1.653 -1.307 1.00 10.00 C ATOM 922 O LYS A 57 5.805 2.093 -0.246 1.00 50.00 O ATOM 923 CB LYS A 57 5.897 3.705 -2.732 1.00 50.00 C ATOM 924 CG LYS A 57 5.391 4.356 -4.035 1.00 50.00 C ATOM 925 CD LYS A 57 5.780 5.853 -4.147 1.00 50.00 C ATOM 926 CE LYS A 57 7.304 6.073 -4.094 1.00 50.00 C ATOM 927 NZ LYS A 57 7.681 7.498 -4.292 1.00 75.00 N ATOM 0 H LYS A 57 3.700 2.320 -1.924 1.00 10.00 H new ATOM 0 HA LYS A 57 6.158 1.683 -3.473 1.00 10.00 H new ATOM 0 HB2 LYS A 57 5.405 4.188 -1.888 1.00 50.00 H new ATOM 0 HB3 LYS A 57 6.964 3.904 -2.635 1.00 50.00 H new ATOM 0 HG2 LYS A 57 5.798 3.814 -4.889 1.00 50.00 H new ATOM 0 HG3 LYS A 57 4.306 4.262 -4.086 1.00 50.00 H new ATOM 0 HD2 LYS A 57 5.390 6.257 -5.081 1.00 50.00 H new ATOM 0 HD3 LYS A 57 5.308 6.409 -3.337 1.00 50.00 H new ATOM 0 HE2 LYS A 57 7.684 5.730 -3.132 1.00 50.00 H new ATOM 0 HE3 LYS A 57 7.783 5.464 -4.861 1.00 50.00 H new ATOM 0 HZ1 LYS A 57 8.716 7.593 -4.248 1.00 75.00 H new ATOM 0 HZ2 LYS A 57 7.343 7.821 -5.221 1.00 75.00 H new ATOM 0 HZ3 LYS A 57 7.248 8.079 -3.546 1.00 75.00 H new ATOM 941 N ALA A 58 7.230 0.733 -1.382 1.00 10.00 N ATOM 942 CA ALA A 58 7.934 0.198 -0.201 1.00 10.00 C ATOM 943 C ALA A 58 8.608 1.344 0.590 1.00 10.00 C ATOM 944 O ALA A 58 9.594 1.934 0.133 1.00 50.00 O ATOM 945 CB ALA A 58 8.963 -0.866 -0.635 1.00 50.00 C ATOM 0 H ALA A 58 7.557 0.339 -2.264 1.00 10.00 H new ATOM 0 HA ALA A 58 7.210 -0.280 0.459 1.00 10.00 H new ATOM 0 HB1 ALA A 58 9.477 -1.255 0.244 1.00 50.00 H new ATOM 0 HB2 ALA A 58 8.450 -1.681 -1.145 1.00 50.00 H new ATOM 0 HB3 ALA A 58 9.690 -0.415 -1.311 1.00 50.00 H new ATOM 951 N ALA A 59 8.027 1.676 1.751 1.00 10.00 N ATOM 952 CA ALA A 59 8.478 2.786 2.604 1.00 10.00 C ATOM 953 C ALA A 59 9.406 2.281 3.716 1.00 10.00 C ATOM 954 O ALA A 59 9.204 1.195 4.268 1.00 50.00 O ATOM 955 CB ALA A 59 7.264 3.487 3.222 1.00 50.00 C ATOM 0 H ALA A 59 7.222 1.177 2.129 1.00 10.00 H new ATOM 0 HA ALA A 59 9.034 3.491 1.987 1.00 10.00 H new ATOM 0 HB1 ALA A 59 7.601 4.309 3.854 1.00 50.00 H new ATOM 0 HB2 ALA A 59 6.626 3.877 2.429 1.00 50.00 H new ATOM 0 HB3 ALA A 59 6.700 2.775 3.824 1.00 50.00 H new ATOM 961 N ASP A 60 10.438 3.075 4.018 1.00 10.00 N ATOM 962 CA ASP A 60 11.364 2.835 5.132 1.00 10.00 C ATOM 963 C ASP A 60 10.981 3.779 6.296 1.00 50.00 C ATOM 964 O ASP A 60 11.186 4.994 6.191 1.00 50.00 O ATOM 965 CB ASP A 60 12.839 3.066 4.668 1.00 50.00 C ATOM 966 CG ASP A 60 13.939 2.690 5.702 1.00 50.00 C ATOM 967 OD1 ASP A 60 13.633 2.208 6.825 1.00 50.00 O ATOM 968 OD2 ASP A 60 15.133 2.889 5.390 1.00 75.00 O ATOM 0 H ASP A 60 10.658 3.917 3.487 1.00 10.00 H new ATOM 0 HA ASP A 60 11.291 1.802 5.472 1.00 10.00 H new ATOM 0 HB2 ASP A 60 13.009 2.489 3.759 1.00 50.00 H new ATOM 0 HB3 ASP A 60 12.957 4.117 4.405 1.00 50.00 H new ATOM 973 N PRO A 61 10.437 3.240 7.433 1.00 50.00 N ATOM 974 CA PRO A 61 10.064 4.055 8.615 1.00 50.00 C ATOM 975 C PRO A 61 11.248 4.280 9.585 1.00 50.00 C ATOM 976 O PRO A 61 11.079 4.867 10.667 1.00 75.00 O ATOM 977 CB PRO A 61 8.971 3.187 9.259 1.00 75.00 C ATOM 978 CG PRO A 61 9.427 1.778 9.023 1.00 75.00 C ATOM 979 CD PRO A 61 10.147 1.791 7.677 1.00 50.00 C ATOM 0 HA PRO A 61 9.745 5.065 8.355 1.00 50.00 H new ATOM 0 HB2 PRO A 61 8.871 3.399 10.323 1.00 75.00 H new ATOM 0 HB3 PRO A 61 7.998 3.371 8.804 1.00 75.00 H new ATOM 0 HG2 PRO A 61 10.093 1.445 9.819 1.00 75.00 H new ATOM 0 HG3 PRO A 61 8.581 1.091 9.007 1.00 75.00 H new ATOM 0 HD2 PRO A 61 11.063 1.201 7.709 1.00 50.00 H new ATOM 0 HD3 PRO A 61 9.524 1.370 6.887 1.00 50.00 H new ATOM 987 N GLY A 62 12.437 3.803 9.176 1.00 50.00 N ATOM 988 CA GLY A 62 13.590 3.687 10.057 1.00 50.00 C ATOM 989 C GLY A 62 13.686 2.271 10.615 1.00 75.00 C ATOM 990 O GLY A 62 14.134 2.072 11.746 1.00 75.00 O ATOM 0 H GLY A 62 12.615 3.489 8.222 1.00 50.00 H new ATOM 0 HA2 GLY A 62 14.501 3.933 9.511 1.00 50.00 H new ATOM 0 HA3 GLY A 62 13.506 4.403 10.875 1.00 50.00 H new ATOM 994 N GLY A 63 13.264 1.289 9.787 1.00 75.00 N ATOM 995 CA GLY A 63 13.133 -0.107 10.209 1.00 75.00 C ATOM 996 C GLY A 63 11.874 -0.325 11.046 1.00 75.00 C ATOM 997 O GLY A 63 10.859 -0.825 10.537 1.00 75.00 O ATOM 0 H GLY A 63 13.008 1.450 8.813 1.00 75.00 H new ATOM 0 HA2 GLY A 63 13.103 -0.752 9.331 1.00 75.00 H new ATOM 0 HA3 GLY A 63 14.010 -0.397 10.788 1.00 75.00 H new ATOM 1001 N GLY A 64 11.944 0.090 12.327 1.00 75.00 N ATOM 1002 CA GLY A 64 10.821 0.010 13.270 1.00 75.00 C ATOM 1003 C GLY A 64 10.419 -1.429 13.666 1.00 75.00 C ATOM 1004 O GLY A 64 9.261 -1.813 13.449 1.00 75.00 O ATOM 0 H GLY A 64 12.788 0.492 12.734 1.00 75.00 H new ATOM 0 HA2 GLY A 64 11.081 0.563 14.173 1.00 75.00 H new ATOM 0 HA3 GLY A 64 9.957 0.507 12.829 1.00 75.00 H new ATOM 1008 N PRO A 65 11.344 -2.272 14.240 1.00 75.00 N ATOM 1009 CA PRO A 65 11.009 -3.635 14.697 1.00 75.00 C ATOM 1010 C PRO A 65 10.650 -3.676 16.208 1.00 75.00 C ATOM 1011 O PRO A 65 11.520 -3.487 17.076 1.00 75.00 O ATOM 1012 CB PRO A 65 12.314 -4.411 14.366 1.00 75.00 C ATOM 1013 CG PRO A 65 13.435 -3.389 14.416 1.00 75.00 C ATOM 1014 CD PRO A 65 12.788 -2.005 14.475 1.00 75.00 C ATOM 0 HA PRO A 65 10.124 -4.056 14.220 1.00 75.00 H new ATOM 0 HB2 PRO A 65 12.484 -5.212 15.085 1.00 75.00 H new ATOM 0 HB3 PRO A 65 12.253 -4.875 13.381 1.00 75.00 H new ATOM 0 HG2 PRO A 65 14.067 -3.555 15.288 1.00 75.00 H new ATOM 0 HG3 PRO A 65 14.074 -3.477 13.538 1.00 75.00 H new ATOM 0 HD2 PRO A 65 12.954 -1.528 15.441 1.00 75.00 H new ATOM 0 HD3 PRO A 65 13.199 -1.339 13.716 1.00 75.00 H new ATOM 1022 N SER A 66 9.357 -3.914 16.517 1.00 75.00 N ATOM 1023 CA SER A 66 8.867 -4.000 17.910 1.00 75.00 C ATOM 1024 C SER A 66 7.513 -4.757 17.980 1.00 75.00 C ATOM 1025 O SER A 66 7.476 -5.949 18.319 1.00 75.00 O ATOM 1026 CB SER A 66 8.763 -2.569 18.515 1.00 75.00 C ATOM 1027 OG SER A 66 8.040 -1.692 17.661 1.00 75.00 O ATOM 0 H SER A 66 8.629 -4.051 15.815 1.00 75.00 H new ATOM 0 HA SER A 66 9.578 -4.573 18.505 1.00 75.00 H new ATOM 0 HB2 SER A 66 8.272 -2.619 19.487 1.00 75.00 H new ATOM 0 HB3 SER A 66 9.764 -2.171 18.684 1.00 75.00 H new ATOM 0 HG SER A 66 7.991 -0.803 18.070 1.00 75.00 H new ATOM 1033 N SER A 67 6.414 -4.062 17.608 1.00 75.00 N ATOM 1034 CA SER A 67 5.033 -4.597 17.653 1.00 75.00 C ATOM 1035 C SER A 67 4.798 -5.653 16.551 1.00 75.00 C ATOM 1036 O SER A 67 3.932 -6.525 16.679 1.00 75.00 O ATOM 1037 CB SER A 67 4.030 -3.422 17.522 1.00 75.00 C ATOM 1038 OG SER A 67 2.679 -3.863 17.520 1.00 75.00 O ATOM 0 H SER A 67 6.461 -3.103 17.264 1.00 75.00 H new ATOM 0 HA SER A 67 4.880 -5.099 18.608 1.00 75.00 H new ATOM 0 HB2 SER A 67 4.181 -2.725 18.346 1.00 75.00 H new ATOM 0 HB3 SER A 67 4.233 -2.875 16.601 1.00 75.00 H new ATOM 0 HG SER A 67 2.083 -3.090 17.437 1.00 75.00 H new ATOM 1044 N ARG A 68 5.589 -5.563 15.474 1.00 75.00 N ATOM 1045 CA ARG A 68 5.491 -6.484 14.328 1.00 75.00 C ATOM 1046 C ARG A 68 6.306 -7.769 14.542 1.00 75.00 C ATOM 1047 O ARG A 68 6.191 -8.686 13.739 1.00 75.00 O ATOM 1048 CB ARG A 68 5.927 -5.760 13.030 1.00 75.00 C ATOM 1049 CG ARG A 68 4.958 -4.638 12.588 1.00 75.00 C ATOM 1050 CD ARG A 68 5.420 -3.893 11.325 1.00 75.00 C ATOM 1051 NE ARG A 68 6.548 -2.973 11.556 1.00 75.00 N ATOM 1052 CZ ARG A 68 7.151 -2.244 10.591 1.00 75.00 C ATOM 1053 NH1 ARG A 68 6.749 -2.329 9.319 1.00 75.00 N ATOM 1054 NH2 ARG A 68 8.121 -1.398 10.921 1.00 75.00 N ATOM 0 H ARG A 68 6.314 -4.853 15.370 1.00 75.00 H new ATOM 0 HA ARG A 68 4.448 -6.788 14.234 1.00 75.00 H new ATOM 0 HB2 ARG A 68 6.919 -5.334 13.178 1.00 75.00 H new ATOM 0 HB3 ARG A 68 6.011 -6.492 12.227 1.00 75.00 H new ATOM 0 HG2 ARG A 68 3.974 -5.069 12.406 1.00 75.00 H new ATOM 0 HG3 ARG A 68 4.847 -3.922 13.403 1.00 75.00 H new ATOM 0 HD2 ARG A 68 5.708 -4.623 10.569 1.00 75.00 H new ATOM 0 HD3 ARG A 68 4.580 -3.329 10.920 1.00 75.00 H new ATOM 0 HE ARG A 68 6.898 -2.880 12.510 1.00 75.00 H new ATOM 0 HH11 ARG A 68 5.979 -2.949 9.068 1.00 75.00 H new ATOM 0 HH12 ARG A 68 7.212 -1.774 8.600 1.00 75.00 H new ATOM 0 HH21 ARG A 68 8.405 -1.303 11.896 1.00 75.00 H new ATOM 0 HH22 ARG A 68 8.582 -0.844 10.199 1.00 75.00 H new ATOM 1068 N LEU A 69 7.086 -7.846 15.638 1.00 75.00 N ATOM 1069 CA LEU A 69 7.969 -9.003 15.926 1.00 75.00 C ATOM 1070 C LEU A 69 7.173 -10.170 16.573 1.00 75.00 C ATOM 1071 O LEU A 69 7.480 -10.629 17.676 1.00 75.00 O ATOM 1072 CB LEU A 69 9.151 -8.544 16.829 1.00 75.00 C ATOM 1073 CG LEU A 69 10.097 -7.460 16.229 1.00 75.00 C ATOM 1074 CD1 LEU A 69 11.217 -7.097 17.225 1.00 75.00 C ATOM 1075 CD2 LEU A 69 10.686 -7.909 14.874 1.00 75.00 C ATOM 0 H LEU A 69 7.125 -7.114 16.348 1.00 75.00 H new ATOM 0 HA LEU A 69 8.376 -9.381 14.988 1.00 75.00 H new ATOM 0 HB2 LEU A 69 8.740 -8.160 17.763 1.00 75.00 H new ATOM 0 HB3 LEU A 69 9.750 -9.419 17.080 1.00 75.00 H new ATOM 0 HG LEU A 69 9.501 -6.566 16.046 1.00 75.00 H new ATOM 0 HD11 LEU A 69 11.864 -6.339 16.784 1.00 75.00 H new ATOM 0 HD12 LEU A 69 10.776 -6.708 18.143 1.00 75.00 H new ATOM 0 HD13 LEU A 69 11.804 -7.987 17.453 1.00 75.00 H new ATOM 0 HD21 LEU A 69 11.340 -7.129 14.485 1.00 75.00 H new ATOM 0 HD22 LEU A 69 11.258 -8.827 15.012 1.00 75.00 H new ATOM 0 HD23 LEU A 69 9.876 -8.089 14.167 1.00 75.00 H new ATOM 1087 N THR A 70 6.152 -10.643 15.851 1.00 75.00 N ATOM 1088 CA THR A 70 5.229 -11.700 16.301 1.00 75.00 C ATOM 1089 C THR A 70 4.699 -12.436 15.062 1.00 75.00 C ATOM 1090 O THR A 70 4.824 -13.666 14.937 1.00 75.00 O ATOM 1091 CB THR A 70 4.038 -11.096 17.138 1.00 75.00 C ATOM 1092 OG1 THR A 70 4.555 -10.433 18.306 1.00 75.00 O ATOM 1093 CG2 THR A 70 3.006 -12.159 17.568 1.00 75.00 C ATOM 0 H THR A 70 5.936 -10.297 14.916 1.00 75.00 H new ATOM 0 HA THR A 70 5.760 -12.395 16.951 1.00 75.00 H new ATOM 0 HB THR A 70 3.521 -10.388 16.490 1.00 75.00 H new ATOM 0 HG1 THR A 70 3.813 -10.057 18.824 1.00 75.00 H new ATOM 0 HG21 THR A 70 2.210 -11.683 18.141 1.00 75.00 H new ATOM 0 HG22 THR A 70 2.582 -12.633 16.683 1.00 75.00 H new ATOM 0 HG23 THR A 70 3.496 -12.913 18.185 1.00 75.00 H new ATOM 1101 N TRP A 71 4.131 -11.625 14.137 1.00 75.00 N ATOM 1102 CA TRP A 71 3.595 -12.075 12.845 1.00 75.00 C ATOM 1103 C TRP A 71 2.567 -13.208 13.021 1.00 75.00 C ATOM 1104 O TRP A 71 2.633 -14.246 12.353 1.00 75.00 O ATOM 1105 CB TRP A 71 4.735 -12.487 11.881 1.00 75.00 C ATOM 1106 CG TRP A 71 5.766 -11.410 11.593 1.00 75.00 C ATOM 1107 CD1 TRP A 71 5.628 -10.315 10.776 1.00 75.00 C ATOM 1108 CD2 TRP A 71 7.110 -11.353 12.104 1.00 75.00 C ATOM 1109 NE1 TRP A 71 6.797 -9.588 10.760 1.00 75.00 N ATOM 1110 CE2 TRP A 71 7.719 -10.207 11.563 1.00 75.00 C ATOM 1111 CE3 TRP A 71 7.852 -12.165 12.970 1.00 75.00 C ATOM 1112 CZ2 TRP A 71 9.035 -9.850 11.858 1.00 75.00 C ATOM 1113 CZ3 TRP A 71 9.156 -11.812 13.263 1.00 75.00 C ATOM 1114 CH2 TRP A 71 9.735 -10.664 12.708 1.00 75.00 C ATOM 0 H TRP A 71 4.034 -10.620 14.279 1.00 75.00 H new ATOM 0 HA TRP A 71 3.070 -11.232 12.395 1.00 75.00 H new ATOM 0 HB2 TRP A 71 5.247 -13.353 12.300 1.00 75.00 H new ATOM 0 HB3 TRP A 71 4.292 -12.804 10.937 1.00 75.00 H new ATOM 0 HD1 TRP A 71 4.734 -10.061 10.227 1.00 75.00 H new ATOM 0 HE1 TRP A 71 6.952 -8.727 10.235 1.00 75.00 H new ATOM 0 HE3 TRP A 71 7.413 -13.052 13.402 1.00 75.00 H new ATOM 0 HZ2 TRP A 71 9.485 -8.965 11.432 1.00 75.00 H new ATOM 0 HZ3 TRP A 71 9.737 -12.431 13.930 1.00 75.00 H new ATOM 0 HH2 TRP A 71 10.756 -10.415 12.956 1.00 75.00 H new ATOM 1125 N ARG A 72 1.606 -12.969 13.926 1.00 75.00 N ATOM 1126 CA ARG A 72 0.557 -13.940 14.304 1.00 75.00 C ATOM 1127 C ARG A 72 -0.291 -14.426 13.103 1.00 75.00 C ATOM 1128 O ARG A 72 -0.771 -15.564 13.098 1.00 75.00 O ATOM 1129 CB ARG A 72 -0.333 -13.346 15.421 1.00 75.00 C ATOM 1130 CG ARG A 72 -0.942 -11.964 15.099 1.00 75.00 C ATOM 1131 CD ARG A 72 -1.779 -11.395 16.258 1.00 75.00 C ATOM 1132 NE ARG A 72 -2.226 -10.017 15.991 1.00 75.00 N ATOM 1133 CZ ARG A 72 -2.915 -9.245 16.849 1.00 75.00 C ATOM 1134 NH1 ARG A 72 -3.263 -9.695 18.059 1.00 75.00 N ATOM 1135 NH2 ARG A 72 -3.247 -8.011 16.490 1.00 75.00 N ATOM 0 H ARG A 72 1.531 -12.083 14.426 1.00 75.00 H new ATOM 0 HA ARG A 72 1.063 -14.829 14.682 1.00 75.00 H new ATOM 0 HB2 ARG A 72 -1.143 -14.044 15.630 1.00 75.00 H new ATOM 0 HB3 ARG A 72 0.259 -13.263 16.332 1.00 75.00 H new ATOM 0 HG2 ARG A 72 -0.140 -11.266 14.859 1.00 75.00 H new ATOM 0 HG3 ARG A 72 -1.569 -12.046 14.211 1.00 75.00 H new ATOM 0 HD2 ARG A 72 -2.648 -12.032 16.425 1.00 75.00 H new ATOM 0 HD3 ARG A 72 -1.189 -11.414 17.174 1.00 75.00 H new ATOM 0 HE ARG A 72 -1.994 -9.616 15.082 1.00 75.00 H new ATOM 0 HH11 ARG A 72 -3.006 -10.640 18.345 1.00 75.00 H new ATOM 0 HH12 ARG A 72 -3.786 -9.094 18.696 1.00 75.00 H new ATOM 0 HH21 ARG A 72 -2.979 -7.658 15.571 1.00 75.00 H new ATOM 0 HH22 ARG A 72 -3.770 -7.416 17.133 1.00 75.00 H new ATOM 1149 N VAL A 73 -0.454 -13.565 12.085 1.00 75.00 N ATOM 1150 CA VAL A 73 -1.191 -13.904 10.849 1.00 75.00 C ATOM 1151 C VAL A 73 -0.309 -14.775 9.917 1.00 75.00 C ATOM 1152 O VAL A 73 -0.817 -15.631 9.186 1.00 75.00 O ATOM 1153 CB VAL A 73 -1.661 -12.595 10.111 1.00 75.00 C ATOM 1154 CG1 VAL A 73 -2.542 -12.896 8.874 1.00 75.00 C ATOM 1155 CG2 VAL A 73 -2.385 -11.642 11.095 1.00 50.00 C ATOM 0 H VAL A 73 -0.081 -12.616 12.092 1.00 75.00 H new ATOM 0 HA VAL A 73 -2.077 -14.479 11.118 1.00 75.00 H new ATOM 0 HB VAL A 73 -0.765 -12.096 9.741 1.00 75.00 H new ATOM 0 HG11 VAL A 73 -2.839 -11.959 8.402 1.00 75.00 H new ATOM 0 HG12 VAL A 73 -1.977 -13.498 8.162 1.00 75.00 H new ATOM 0 HG13 VAL A 73 -3.432 -13.443 9.185 1.00 75.00 H new ATOM 0 HG21 VAL A 73 -2.702 -10.744 10.565 1.00 50.00 H new ATOM 0 HG22 VAL A 73 -3.258 -12.144 11.512 1.00 50.00 H new ATOM 0 HG23 VAL A 73 -1.705 -11.367 11.901 1.00 50.00 H new ATOM 1165 N GLN A 74 1.023 -14.551 9.972 1.00 75.00 N ATOM 1166 CA GLN A 74 2.020 -15.346 9.214 1.00 75.00 C ATOM 1167 C GLN A 74 2.387 -16.655 9.958 1.00 75.00 C ATOM 1168 O GLN A 74 3.161 -17.460 9.428 1.00 75.00 O ATOM 1169 CB GLN A 74 3.303 -14.510 8.945 1.00 75.00 C ATOM 1170 CG GLN A 74 3.101 -13.227 8.107 1.00 75.00 C ATOM 1171 CD GLN A 74 2.654 -13.483 6.659 1.00 75.00 C ATOM 1172 OE1 GLN A 74 3.483 -13.653 5.761 1.00 75.00 O ATOM 1173 NE2 GLN A 74 1.350 -13.488 6.415 1.00 75.00 N ATOM 0 H GLN A 74 1.439 -13.815 10.542 1.00 75.00 H new ATOM 0 HA GLN A 74 1.565 -15.613 8.260 1.00 75.00 H new ATOM 0 HB2 GLN A 74 3.741 -14.231 9.903 1.00 75.00 H new ATOM 0 HB3 GLN A 74 4.028 -15.145 8.436 1.00 75.00 H new ATOM 0 HG2 GLN A 74 2.358 -12.599 8.599 1.00 75.00 H new ATOM 0 HG3 GLN A 74 4.035 -12.665 8.093 1.00 75.00 H new ATOM 0 HE21 GLN A 74 0.688 -13.345 7.178 1.00 75.00 H new ATOM 0 HE22 GLN A 74 1.010 -13.635 5.465 1.00 75.00 H new ATOM 1182 N ARG A 75 1.858 -16.850 11.193 1.00 75.00 N ATOM 1183 CA ARG A 75 1.956 -18.139 11.925 1.00 75.00 C ATOM 1184 C ARG A 75 1.007 -19.171 11.266 1.00 75.00 C ATOM 1185 O ARG A 75 -0.070 -19.487 11.801 1.00 75.00 O ATOM 1186 CB ARG A 75 1.593 -17.974 13.433 1.00 75.00 C ATOM 1187 CG ARG A 75 2.474 -17.018 14.268 1.00 75.00 C ATOM 1188 CD ARG A 75 3.910 -17.517 14.522 1.00 75.00 C ATOM 1189 NE ARG A 75 4.831 -17.254 13.404 1.00 75.00 N ATOM 1190 CZ ARG A 75 6.164 -17.119 13.530 1.00 75.00 C ATOM 1191 NH1 ARG A 75 6.764 -17.215 14.716 1.00 75.00 N ATOM 1192 NH2 ARG A 75 6.901 -16.901 12.465 1.00 75.00 N ATOM 0 H ARG A 75 1.356 -16.125 11.706 1.00 75.00 H new ATOM 0 HA ARG A 75 2.988 -18.487 11.870 1.00 75.00 H new ATOM 0 HB2 ARG A 75 0.562 -17.626 13.497 1.00 75.00 H new ATOM 0 HB3 ARG A 75 1.627 -18.959 13.899 1.00 75.00 H new ATOM 0 HG2 ARG A 75 2.524 -16.055 13.759 1.00 75.00 H new ATOM 0 HG3 ARG A 75 1.989 -16.846 15.229 1.00 75.00 H new ATOM 0 HD2 ARG A 75 4.298 -17.039 15.422 1.00 75.00 H new ATOM 0 HD3 ARG A 75 3.884 -18.589 14.716 1.00 75.00 H new ATOM 0 HE ARG A 75 4.431 -17.168 12.470 1.00 75.00 H new ATOM 0 HH11 ARG A 75 6.211 -17.395 15.554 1.00 75.00 H new ATOM 0 HH12 ARG A 75 7.776 -17.109 14.786 1.00 75.00 H new ATOM 0 HH21 ARG A 75 6.463 -16.835 11.546 1.00 75.00 H new ATOM 0 HH22 ARG A 75 7.912 -16.798 12.557 1.00 75.00 H new ATOM 1206 N SER A 76 1.389 -19.653 10.075 1.00 75.00 N ATOM 1207 CA SER A 76 0.578 -20.591 9.277 1.00 75.00 C ATOM 1208 C SER A 76 1.529 -21.570 8.542 1.00 75.00 C ATOM 1209 O SER A 76 1.944 -22.581 9.123 1.00 75.00 O ATOM 1210 CB SER A 76 -0.334 -19.800 8.298 1.00 75.00 C ATOM 1211 OG SER A 76 -1.114 -18.825 8.984 1.00 75.00 O ATOM 0 H SER A 76 2.274 -19.403 9.633 1.00 75.00 H new ATOM 0 HA SER A 76 -0.080 -21.177 9.919 1.00 75.00 H new ATOM 0 HB2 SER A 76 0.280 -19.310 7.542 1.00 75.00 H new ATOM 0 HB3 SER A 76 -0.993 -20.492 7.774 1.00 75.00 H new ATOM 0 HG SER A 76 -1.587 -18.267 8.332 1.00 75.00 H new ATOM 1217 N GLN A 77 1.885 -21.261 7.272 1.00 75.00 N ATOM 1218 CA GLN A 77 2.984 -21.940 6.560 1.00 75.00 C ATOM 1219 C GLN A 77 4.312 -21.256 6.925 1.00 75.00 C ATOM 1220 O GLN A 77 5.356 -21.913 6.972 1.00 75.00 O ATOM 1221 CB GLN A 77 2.718 -21.914 5.019 1.00 75.00 C ATOM 1222 CG GLN A 77 3.714 -22.720 4.135 1.00 75.00 C ATOM 1223 CD GLN A 77 5.017 -21.974 3.797 1.00 75.00 C ATOM 1224 OE1 GLN A 77 5.036 -20.748 3.648 1.00 75.00 O ATOM 1225 NE2 GLN A 77 6.106 -22.706 3.677 1.00 75.00 N ATOM 0 H GLN A 77 1.420 -20.540 6.720 1.00 75.00 H new ATOM 0 HA GLN A 77 3.042 -22.986 6.861 1.00 75.00 H new ATOM 0 HB2 GLN A 77 1.713 -22.296 4.838 1.00 75.00 H new ATOM 0 HB3 GLN A 77 2.728 -20.876 4.687 1.00 75.00 H new ATOM 0 HG2 GLN A 77 3.965 -23.649 4.647 1.00 75.00 H new ATOM 0 HG3 GLN A 77 3.215 -22.993 3.205 1.00 75.00 H new ATOM 0 HE21 GLN A 77 6.058 -23.717 3.806 1.00 75.00 H new ATOM 0 HE22 GLN A 77 6.997 -22.262 3.455 1.00 75.00 H new ATOM 1234 N ASN A 78 4.223 -19.933 7.194 1.00 75.00 N ATOM 1235 CA ASN A 78 5.360 -19.055 7.527 1.00 75.00 C ATOM 1236 C ASN A 78 6.256 -18.822 6.283 1.00 75.00 C ATOM 1237 O ASN A 78 7.146 -19.629 6.001 1.00 75.00 O ATOM 1238 CB ASN A 78 6.187 -19.576 8.742 1.00 75.00 C ATOM 1239 CG ASN A 78 7.357 -18.661 9.120 1.00 75.00 C ATOM 1240 OD1 ASN A 78 7.217 -17.776 9.944 1.00 75.00 O ATOM 1241 ND2 ASN A 78 8.513 -18.851 8.494 1.00 75.00 N ATOM 0 H ASN A 78 3.332 -19.437 7.184 1.00 75.00 H new ATOM 0 HA ASN A 78 4.945 -18.095 7.834 1.00 75.00 H new ATOM 0 HB2 ASN A 78 5.526 -19.683 9.602 1.00 75.00 H new ATOM 0 HB3 ASN A 78 6.572 -20.569 8.511 1.00 75.00 H new ATOM 0 HD21 ASN A 78 9.310 -18.248 8.700 1.00 75.00 H new ATOM 0 HD22 ASN A 78 8.604 -19.600 7.808 1.00 75.00 H new ATOM 1248 N PRO A 79 6.010 -17.724 5.503 1.00 75.00 N ATOM 1249 CA PRO A 79 6.895 -17.287 4.395 1.00 75.00 C ATOM 1250 C PRO A 79 7.946 -16.251 4.855 1.00 75.00 C ATOM 1251 O PRO A 79 8.596 -15.594 4.029 1.00 75.00 O ATOM 1252 CB PRO A 79 5.876 -16.690 3.380 1.00 75.00 C ATOM 1253 CG PRO A 79 4.574 -16.481 4.144 1.00 75.00 C ATOM 1254 CD PRO A 79 4.844 -16.818 5.595 1.00 75.00 C ATOM 0 HA PRO A 79 7.500 -18.092 3.979 1.00 75.00 H new ATOM 0 HB2 PRO A 79 6.242 -15.748 2.972 1.00 75.00 H new ATOM 0 HB3 PRO A 79 5.727 -17.365 2.538 1.00 75.00 H new ATOM 0 HG2 PRO A 79 4.232 -15.451 4.046 1.00 75.00 H new ATOM 0 HG3 PRO A 79 3.786 -17.118 3.742 1.00 75.00 H new ATOM 0 HD2 PRO A 79 5.067 -15.928 6.183 1.00 75.00 H new ATOM 0 HD3 PRO A 79 3.989 -17.304 6.064 1.00 75.00 H new ATOM 1262 N LEU A 80 8.103 -16.133 6.186 1.00 75.00 N ATOM 1263 CA LEU A 80 9.024 -15.189 6.824 1.00 75.00 C ATOM 1264 C LEU A 80 10.474 -15.676 6.677 1.00 75.00 C ATOM 1265 O LEU A 80 10.867 -16.671 7.302 1.00 75.00 O ATOM 1266 CB LEU A 80 8.654 -15.041 8.319 1.00 75.00 C ATOM 1267 CG LEU A 80 7.207 -14.557 8.614 1.00 75.00 C ATOM 1268 CD1 LEU A 80 6.935 -14.586 10.123 1.00 75.00 C ATOM 1269 CD2 LEU A 80 6.947 -13.156 8.024 1.00 75.00 C ATOM 0 H LEU A 80 7.583 -16.702 6.854 1.00 75.00 H new ATOM 0 HA LEU A 80 8.939 -14.218 6.336 1.00 75.00 H new ATOM 0 HB2 LEU A 80 8.801 -16.004 8.807 1.00 75.00 H new ATOM 0 HB3 LEU A 80 9.352 -14.341 8.779 1.00 75.00 H new ATOM 0 HG LEU A 80 6.514 -15.242 8.126 1.00 75.00 H new ATOM 0 HD11 LEU A 80 5.918 -14.245 10.316 1.00 75.00 H new ATOM 0 HD12 LEU A 80 7.053 -15.604 10.494 1.00 75.00 H new ATOM 0 HD13 LEU A 80 7.641 -13.930 10.633 1.00 75.00 H new ATOM 0 HD21 LEU A 80 5.925 -12.850 8.250 1.00 75.00 H new ATOM 0 HD22 LEU A 80 7.645 -12.442 8.461 1.00 75.00 H new ATOM 0 HD23 LEU A 80 7.087 -13.185 6.943 1.00 75.00 H new ATOM 1281 N LYS A 81 11.248 -14.993 5.827 1.00 75.00 N ATOM 1282 CA LYS A 81 12.656 -15.331 5.569 1.00 75.00 C ATOM 1283 C LYS A 81 13.580 -14.471 6.446 1.00 75.00 C ATOM 1284 O LYS A 81 13.230 -13.334 6.788 1.00 75.00 O ATOM 1285 CB LYS A 81 12.981 -15.150 4.063 1.00 75.00 C ATOM 1286 CG LYS A 81 12.063 -15.975 3.133 1.00 75.00 C ATOM 1287 CD LYS A 81 12.436 -15.847 1.641 1.00 75.00 C ATOM 1288 CE LYS A 81 11.473 -16.621 0.727 1.00 75.00 C ATOM 1289 NZ LYS A 81 11.875 -16.543 -0.709 1.00 75.00 N ATOM 0 H LYS A 81 10.917 -14.188 5.296 1.00 75.00 H new ATOM 0 HA LYS A 81 12.825 -16.376 5.828 1.00 75.00 H new ATOM 0 HB2 LYS A 81 12.894 -14.095 3.804 1.00 75.00 H new ATOM 0 HB3 LYS A 81 14.018 -15.437 3.886 1.00 75.00 H new ATOM 0 HG2 LYS A 81 12.111 -17.024 3.424 1.00 75.00 H new ATOM 0 HG3 LYS A 81 11.031 -15.652 3.272 1.00 75.00 H new ATOM 0 HD2 LYS A 81 12.434 -14.794 1.358 1.00 75.00 H new ATOM 0 HD3 LYS A 81 13.451 -16.216 1.490 1.00 75.00 H new ATOM 0 HE2 LYS A 81 11.440 -17.665 1.037 1.00 75.00 H new ATOM 0 HE3 LYS A 81 10.465 -16.222 0.843 1.00 75.00 H new ATOM 0 HZ1 LYS A 81 11.198 -17.079 -1.289 1.00 75.00 H new ATOM 0 HZ2 LYS A 81 11.881 -15.549 -1.014 1.00 75.00 H new ATOM 0 HZ3 LYS A 81 12.826 -16.947 -0.826 1.00 75.00 H new ATOM 1303 N ILE A 82 14.747 -15.032 6.816 1.00 75.00 N ATOM 1304 CA ILE A 82 15.772 -14.332 7.609 1.00 75.00 C ATOM 1305 C ILE A 82 16.376 -13.160 6.803 1.00 75.00 C ATOM 1306 O ILE A 82 17.083 -13.358 5.808 1.00 75.00 O ATOM 1307 CB ILE A 82 16.900 -15.324 8.119 1.00 75.00 C ATOM 1308 CG1 ILE A 82 17.518 -16.159 6.944 1.00 75.00 C ATOM 1309 CG2 ILE A 82 16.341 -16.253 9.227 1.00 75.00 C ATOM 1310 CD1 ILE A 82 18.633 -17.114 7.346 1.00 75.00 C ATOM 0 H ILE A 82 15.005 -15.988 6.571 1.00 75.00 H new ATOM 0 HA ILE A 82 15.285 -13.922 8.494 1.00 75.00 H new ATOM 0 HB ILE A 82 17.705 -14.723 8.542 1.00 75.00 H new ATOM 0 HG12 ILE A 82 16.722 -16.734 6.470 1.00 75.00 H new ATOM 0 HG13 ILE A 82 17.904 -15.470 6.193 1.00 75.00 H new ATOM 0 HG21 ILE A 82 17.127 -16.928 9.567 1.00 75.00 H new ATOM 0 HG22 ILE A 82 15.993 -15.650 10.066 1.00 75.00 H new ATOM 0 HG23 ILE A 82 15.510 -16.835 8.829 1.00 75.00 H new ATOM 0 HD11 ILE A 82 18.994 -17.644 6.464 1.00 75.00 H new ATOM 0 HD12 ILE A 82 19.453 -16.550 7.791 1.00 75.00 H new ATOM 0 HD13 ILE A 82 18.252 -17.833 8.071 1.00 75.00 H new ATOM 1322 N ARG A 83 16.034 -11.940 7.218 1.00 75.00 N ATOM 1323 CA ARG A 83 16.483 -10.703 6.561 1.00 75.00 C ATOM 1324 C ARG A 83 17.745 -10.181 7.249 1.00 75.00 C ATOM 1325 O ARG A 83 17.862 -10.276 8.476 1.00 75.00 O ATOM 1326 CB ARG A 83 15.358 -9.646 6.608 1.00 75.00 C ATOM 1327 CG ARG A 83 14.059 -10.086 5.892 1.00 75.00 C ATOM 1328 CD ARG A 83 12.960 -9.013 5.936 1.00 75.00 C ATOM 1329 NE ARG A 83 13.399 -7.746 5.327 1.00 75.00 N ATOM 1330 CZ ARG A 83 12.597 -6.705 5.044 1.00 75.00 C ATOM 1331 NH1 ARG A 83 11.292 -6.760 5.307 1.00 75.00 N ATOM 1332 NH2 ARG A 83 13.118 -5.611 4.505 1.00 75.00 N ATOM 0 H ARG A 83 15.433 -11.777 8.026 1.00 75.00 H new ATOM 0 HA ARG A 83 16.718 -10.911 5.517 1.00 75.00 H new ATOM 0 HB2 ARG A 83 15.129 -9.418 7.649 1.00 75.00 H new ATOM 0 HB3 ARG A 83 15.719 -8.724 6.152 1.00 75.00 H new ATOM 0 HG2 ARG A 83 14.286 -10.325 4.853 1.00 75.00 H new ATOM 0 HG3 ARG A 83 13.686 -11.000 6.355 1.00 75.00 H new ATOM 0 HD2 ARG A 83 12.076 -9.379 5.414 1.00 75.00 H new ATOM 0 HD3 ARG A 83 12.668 -8.835 6.971 1.00 75.00 H new ATOM 0 HE ARG A 83 14.389 -7.651 5.102 1.00 75.00 H new ATOM 0 HH11 ARG A 83 10.891 -7.598 5.728 1.00 75.00 H new ATOM 0 HH12 ARG A 83 10.694 -5.964 5.088 1.00 75.00 H new ATOM 0 HH21 ARG A 83 14.118 -5.565 4.309 1.00 75.00 H new ATOM 0 HH22 ARG A 83 12.519 -4.815 4.286 1.00 75.00 H new ATOM 1346 N LEU A 84 18.676 -9.635 6.456 1.00 75.00 N ATOM 1347 CA LEU A 84 19.945 -9.089 6.953 1.00 75.00 C ATOM 1348 C LEU A 84 19.689 -7.763 7.699 1.00 75.00 C ATOM 1349 O LEU A 84 19.750 -6.672 7.118 1.00 75.00 O ATOM 1350 CB LEU A 84 20.953 -8.926 5.777 1.00 75.00 C ATOM 1351 CG LEU A 84 21.245 -10.220 4.944 1.00 75.00 C ATOM 1352 CD1 LEU A 84 22.246 -9.943 3.798 1.00 75.00 C ATOM 1353 CD2 LEU A 84 21.727 -11.383 5.843 1.00 75.00 C ATOM 0 H LEU A 84 18.569 -9.559 5.444 1.00 75.00 H new ATOM 0 HA LEU A 84 20.393 -9.781 7.666 1.00 75.00 H new ATOM 0 HB2 LEU A 84 20.573 -8.160 5.101 1.00 75.00 H new ATOM 0 HB3 LEU A 84 21.896 -8.556 6.180 1.00 75.00 H new ATOM 0 HG LEU A 84 20.303 -10.529 4.490 1.00 75.00 H new ATOM 0 HD11 LEU A 84 22.425 -10.863 3.241 1.00 75.00 H new ATOM 0 HD12 LEU A 84 21.833 -9.188 3.129 1.00 75.00 H new ATOM 0 HD13 LEU A 84 23.186 -9.582 4.215 1.00 75.00 H new ATOM 0 HD21 LEU A 84 21.919 -12.262 5.228 1.00 75.00 H new ATOM 0 HD22 LEU A 84 22.644 -11.091 6.355 1.00 75.00 H new ATOM 0 HD23 LEU A 84 20.958 -11.616 6.580 1.00 75.00 H new ATOM 1365 N THR A 85 19.324 -7.905 8.978 1.00 75.00 N ATOM 1366 CA THR A 85 18.959 -6.791 9.865 1.00 75.00 C ATOM 1367 C THR A 85 20.143 -6.427 10.774 1.00 75.00 C ATOM 1368 O THR A 85 20.833 -7.319 11.296 1.00 75.00 O ATOM 1369 CB THR A 85 17.712 -7.178 10.734 1.00 75.00 C ATOM 1370 OG1 THR A 85 16.686 -7.700 9.871 1.00 75.00 O ATOM 1371 CG2 THR A 85 17.145 -5.987 11.547 1.00 75.00 C ATOM 0 H THR A 85 19.273 -8.815 9.436 1.00 75.00 H new ATOM 0 HA THR A 85 18.706 -5.925 9.253 1.00 75.00 H new ATOM 0 HB THR A 85 18.038 -7.927 11.456 1.00 75.00 H new ATOM 0 HG1 THR A 85 16.974 -8.562 9.504 1.00 75.00 H new ATOM 0 HG21 THR A 85 16.284 -6.319 12.127 1.00 75.00 H new ATOM 0 HG22 THR A 85 17.913 -5.609 12.222 1.00 75.00 H new ATOM 0 HG23 THR A 85 16.839 -5.194 10.865 1.00 75.00 H new ATOM 1379 N ARG A 86 20.371 -5.115 10.956 1.00 75.00 N ATOM 1380 CA ARG A 86 21.430 -4.597 11.835 1.00 75.00 C ATOM 1381 C ARG A 86 21.025 -4.737 13.315 1.00 75.00 C ATOM 1382 O ARG A 86 20.385 -3.848 13.895 1.00 75.00 O ATOM 1383 CB ARG A 86 21.767 -3.124 11.483 1.00 75.00 C ATOM 1384 CG ARG A 86 22.414 -2.939 10.092 1.00 75.00 C ATOM 1385 CD ARG A 86 22.690 -1.461 9.760 1.00 75.00 C ATOM 1386 NE ARG A 86 23.503 -1.301 8.540 1.00 75.00 N ATOM 1387 CZ ARG A 86 24.772 -0.857 8.504 1.00 75.00 C ATOM 1388 NH1 ARG A 86 25.407 -0.518 9.630 1.00 75.00 N ATOM 1389 NH2 ARG A 86 25.395 -0.747 7.335 1.00 75.00 N ATOM 0 H ARG A 86 19.826 -4.385 10.497 1.00 75.00 H new ATOM 0 HA ARG A 86 22.329 -5.192 11.675 1.00 75.00 H new ATOM 0 HB2 ARG A 86 20.852 -2.533 11.528 1.00 75.00 H new ATOM 0 HB3 ARG A 86 22.441 -2.726 12.241 1.00 75.00 H new ATOM 0 HG2 ARG A 86 23.349 -3.497 10.053 1.00 75.00 H new ATOM 0 HG3 ARG A 86 21.758 -3.362 9.331 1.00 75.00 H new ATOM 0 HD2 ARG A 86 21.743 -0.937 9.633 1.00 75.00 H new ATOM 0 HD3 ARG A 86 23.204 -0.993 10.600 1.00 75.00 H new ATOM 0 HE ARG A 86 23.067 -1.547 7.651 1.00 75.00 H new ATOM 0 HH11 ARG A 86 24.929 -0.595 10.528 1.00 75.00 H new ATOM 0 HH12 ARG A 86 26.369 -0.182 9.592 1.00 75.00 H new ATOM 0 HH21 ARG A 86 24.911 -0.999 6.473 1.00 75.00 H new ATOM 0 HH22 ARG A 86 26.357 -0.411 7.300 1.00 75.00 H new ATOM 1403 N GLU A 87 21.374 -5.890 13.895 1.00 75.00 N ATOM 1404 CA GLU A 87 21.116 -6.205 15.304 1.00 75.00 C ATOM 1405 C GLU A 87 22.296 -5.720 16.174 1.00 75.00 C ATOM 1406 O GLU A 87 23.323 -6.410 16.272 1.00 75.00 O ATOM 1407 CB GLU A 87 20.902 -7.733 15.475 1.00 75.00 C ATOM 1408 CG GLU A 87 19.738 -8.314 14.651 1.00 75.00 C ATOM 1409 CD GLU A 87 19.584 -9.835 14.829 1.00 75.00 C ATOM 1410 OE1 GLU A 87 18.886 -10.270 15.770 1.00 75.00 O ATOM 1411 OE2 GLU A 87 20.163 -10.603 14.026 1.00 75.00 O ATOM 0 H GLU A 87 21.849 -6.640 13.393 1.00 75.00 H new ATOM 0 HA GLU A 87 20.211 -5.691 15.628 1.00 75.00 H new ATOM 0 HB2 GLU A 87 21.821 -8.249 15.195 1.00 75.00 H new ATOM 0 HB3 GLU A 87 20.725 -7.946 16.529 1.00 75.00 H new ATOM 0 HG2 GLU A 87 18.810 -7.822 14.944 1.00 75.00 H new ATOM 0 HG3 GLU A 87 19.898 -8.090 13.596 1.00 75.00 H new ATOM 1418 N ALA A 88 22.160 -4.524 16.767 1.00 75.00 N ATOM 1419 CA ALA A 88 23.165 -3.958 17.685 1.00 75.00 C ATOM 1420 C ALA A 88 22.453 -3.230 18.844 1.00 75.00 C ATOM 1421 O ALA A 88 22.303 -2.003 18.808 1.00 75.00 O ATOM 1422 CB ALA A 88 24.129 -3.025 16.921 1.00 75.00 C ATOM 0 H ALA A 88 21.350 -3.920 16.625 1.00 75.00 H new ATOM 0 HA ALA A 88 23.767 -4.761 18.110 1.00 75.00 H new ATOM 0 HB1 ALA A 88 24.864 -2.616 17.614 1.00 75.00 H new ATOM 0 HB2 ALA A 88 24.640 -3.590 16.141 1.00 75.00 H new ATOM 0 HB3 ALA A 88 23.564 -2.210 16.468 1.00 75.00 H new ATOM 1428 N PRO A 89 21.920 -3.992 19.858 1.00 75.00 N ATOM 1429 CA PRO A 89 21.260 -3.407 21.053 1.00 75.00 C ATOM 1430 C PRO A 89 22.270 -2.656 21.972 1.00 75.00 C ATOM 1431 O PRO A 89 22.428 -1.425 21.824 1.00 75.00 O ATOM 1432 CB PRO A 89 20.617 -4.649 21.757 1.00 75.00 C ATOM 1433 CG PRO A 89 20.637 -5.740 20.723 1.00 75.00 C ATOM 1434 CD PRO A 89 21.880 -5.481 19.913 1.00 75.00 C ATOM 1435 OXT PRO A 89 22.924 -3.307 22.821 1.00 75.00 O ATOM 0 HA PRO A 89 20.523 -2.645 20.799 1.00 75.00 H new ATOM 0 HB2 PRO A 89 21.182 -4.936 22.644 1.00 75.00 H new ATOM 0 HB3 PRO A 89 19.600 -4.434 22.083 1.00 75.00 H new ATOM 0 HG2 PRO A 89 20.666 -6.725 21.188 1.00 75.00 H new ATOM 0 HG3 PRO A 89 19.744 -5.709 20.098 1.00 75.00 H new ATOM 0 HD2 PRO A 89 22.769 -5.894 20.389 1.00 75.00 H new ATOM 0 HD3 PRO A 89 21.817 -5.923 18.919 1.00 75.00 H new TER 1443 PRO A 89