USER MOD reduce.3.24.130724 H: found=0, std=0, add=489, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 487 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 Single : A 1 GLY N :NH3+ -117:sc= 0.134 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ -179:sc= 1.09 (180deg=1.03) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 MET CE :methyl 158:sc= -2.25! (180deg=-4.17!) USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 22 THR OG1 : rot -76:sc= 0.941 USER MOD Single : A 26 HIS :FLIP no HE2:sc= -1.28! C(o=-3.9!,f=-1.3!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ -176:sc= 1.05 (180deg=0.941) USER MOD Single : A 36 SER OG : rot 74:sc= 1.28 USER MOD Single : A 42 HIS : no HD1:sc= 1.05 K(o=1.1,f=-4.9!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=-0.031) USER MOD Single : A 54 ASN : amide:sc= -0.0254 K(o=-0.025,f=-1.1) USER MOD Single : A 55 GLN : amide:sc= -0.142 X(o=-0.14,f=-0.42) USER MOD Single : A 60 ASN : amide:sc= -0.0821 X(o=-0.082,f=-0.31) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 12.261 -18.797 -6.499 1.00 0.00 N ATOM 2 CA GLY A 1 11.191 -19.443 -5.729 1.00 0.00 C ATOM 3 C GLY A 1 9.981 -19.726 -6.592 1.00 0.00 C ATOM 4 O GLY A 1 9.963 -19.361 -7.770 1.00 0.00 O ATOM 0 H1 GLY A 1 13.097 -19.416 -6.519 1.00 0.00 H new ATOM 0 H2 GLY A 1 11.934 -18.625 -7.471 1.00 0.00 H new ATOM 0 H3 GLY A 1 12.511 -17.891 -6.053 1.00 0.00 H new ATOM 0 HA2 GLY A 1 11.561 -20.375 -5.302 1.00 0.00 H new ATOM 0 HA3 GLY A 1 10.903 -18.802 -4.896 1.00 0.00 H new ATOM 10 N PRO A 2 8.956 -20.396 -6.041 1.00 0.00 N ATOM 11 CA PRO A 2 7.710 -20.707 -6.766 1.00 0.00 C ATOM 12 C PRO A 2 6.936 -19.458 -7.207 1.00 0.00 C ATOM 13 O PRO A 2 6.250 -19.466 -8.241 1.00 0.00 O ATOM 14 CB PRO A 2 6.892 -21.503 -5.735 1.00 0.00 C ATOM 15 CG PRO A 2 7.465 -21.102 -4.421 1.00 0.00 C ATOM 16 CD PRO A 2 8.930 -20.933 -4.668 1.00 0.00 C ATOM 0 HA PRO A 2 7.913 -21.245 -7.692 1.00 0.00 H new ATOM 0 HB2 PRO A 2 5.831 -21.261 -5.797 1.00 0.00 H new ATOM 0 HB3 PRO A 2 6.984 -22.577 -5.898 1.00 0.00 H new ATOM 0 HG2 PRO A 2 7.017 -20.176 -4.062 1.00 0.00 H new ATOM 0 HG3 PRO A 2 7.279 -21.861 -3.662 1.00 0.00 H new ATOM 0 HD2 PRO A 2 9.387 -20.247 -3.954 1.00 0.00 H new ATOM 0 HD3 PRO A 2 9.467 -21.878 -4.591 1.00 0.00 H new ATOM 24 N LEU A 3 7.048 -18.391 -6.433 1.00 0.00 N ATOM 25 CA LEU A 3 6.340 -17.162 -6.727 1.00 0.00 C ATOM 26 C LEU A 3 7.320 -16.026 -6.958 1.00 0.00 C ATOM 27 O LEU A 3 8.237 -15.828 -6.165 1.00 0.00 O ATOM 28 CB LEU A 3 5.379 -16.805 -5.590 1.00 0.00 C ATOM 29 CG LEU A 3 4.530 -15.555 -5.804 1.00 0.00 C ATOM 30 CD1 LEU A 3 3.562 -15.748 -6.957 1.00 0.00 C ATOM 31 CD2 LEU A 3 3.793 -15.192 -4.532 1.00 0.00 C ATOM 0 H LEU A 3 7.626 -18.354 -5.593 1.00 0.00 H new ATOM 0 HA LEU A 3 5.759 -17.315 -7.637 1.00 0.00 H new ATOM 0 HB2 LEU A 3 4.711 -17.651 -5.425 1.00 0.00 H new ATOM 0 HB3 LEU A 3 5.960 -16.675 -4.677 1.00 0.00 H new ATOM 0 HG LEU A 3 5.194 -14.730 -6.062 1.00 0.00 H new ATOM 0 HD11 LEU A 3 2.969 -14.843 -7.089 1.00 0.00 H new ATOM 0 HD12 LEU A 3 4.120 -15.952 -7.871 1.00 0.00 H new ATOM 0 HD13 LEU A 3 2.901 -16.587 -6.740 1.00 0.00 H new ATOM 0 HD21 LEU A 3 3.192 -14.298 -4.702 1.00 0.00 H new ATOM 0 HD22 LEU A 3 3.142 -16.017 -4.241 1.00 0.00 H new ATOM 0 HD23 LEU A 3 4.513 -14.999 -3.737 1.00 0.00 H new ATOM 43 N GLY A 4 7.141 -15.302 -8.037 1.00 0.00 N ATOM 44 CA GLY A 4 7.993 -14.169 -8.295 1.00 0.00 C ATOM 45 C GLY A 4 8.571 -14.205 -9.684 1.00 0.00 C ATOM 46 O GLY A 4 7.941 -14.727 -10.615 1.00 0.00 O ATOM 0 H GLY A 4 6.423 -15.474 -8.741 1.00 0.00 H new ATOM 0 HA2 GLY A 4 7.423 -13.249 -8.163 1.00 0.00 H new ATOM 0 HA3 GLY A 4 8.803 -14.150 -7.565 1.00 0.00 H new ATOM 50 N SER A 5 9.744 -13.649 -9.838 1.00 0.00 N ATOM 51 CA SER A 5 10.414 -13.631 -11.108 1.00 0.00 C ATOM 52 C SER A 5 11.698 -14.460 -11.069 1.00 0.00 C ATOM 53 O SER A 5 12.709 -14.052 -10.493 1.00 0.00 O ATOM 54 CB SER A 5 10.687 -12.183 -11.515 1.00 0.00 C ATOM 55 OG SER A 5 11.053 -11.405 -10.381 1.00 0.00 O ATOM 0 H SER A 5 10.261 -13.196 -9.084 1.00 0.00 H new ATOM 0 HA SER A 5 9.770 -14.089 -11.859 1.00 0.00 H new ATOM 0 HB2 SER A 5 11.485 -12.152 -12.257 1.00 0.00 H new ATOM 0 HB3 SER A 5 9.800 -11.758 -11.984 1.00 0.00 H new ATOM 0 HG SER A 5 11.226 -10.482 -10.660 1.00 0.00 H new ATOM 61 N LYS A 6 11.639 -15.620 -11.669 1.00 0.00 N ATOM 62 CA LYS A 6 12.765 -16.531 -11.748 1.00 0.00 C ATOM 63 C LYS A 6 13.441 -16.349 -13.107 1.00 0.00 C ATOM 64 O LYS A 6 12.845 -15.754 -14.012 1.00 0.00 O ATOM 65 CB LYS A 6 12.250 -17.980 -11.563 1.00 0.00 C ATOM 66 CG LYS A 6 13.303 -19.081 -11.634 1.00 0.00 C ATOM 67 CD LYS A 6 12.684 -20.450 -11.376 1.00 0.00 C ATOM 68 CE LYS A 6 13.721 -21.570 -11.423 1.00 0.00 C ATOM 69 NZ LYS A 6 14.224 -21.804 -12.800 1.00 0.00 N ATOM 0 H LYS A 6 10.797 -15.970 -12.126 1.00 0.00 H new ATOM 0 HA LYS A 6 13.495 -16.325 -10.965 1.00 0.00 H new ATOM 0 HB2 LYS A 6 11.750 -18.046 -10.597 1.00 0.00 H new ATOM 0 HB3 LYS A 6 11.497 -18.176 -12.326 1.00 0.00 H new ATOM 0 HG2 LYS A 6 13.777 -19.072 -12.615 1.00 0.00 H new ATOM 0 HG3 LYS A 6 14.085 -18.888 -10.900 1.00 0.00 H new ATOM 0 HD2 LYS A 6 12.197 -20.449 -10.401 1.00 0.00 H new ATOM 0 HD3 LYS A 6 11.910 -20.643 -12.119 1.00 0.00 H new ATOM 0 HE2 LYS A 6 14.556 -21.318 -10.770 1.00 0.00 H new ATOM 0 HE3 LYS A 6 13.280 -22.489 -11.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 14.913 -22.583 -12.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 13.429 -22.053 -13.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 14.683 -20.940 -13.153 1.00 0.00 H new ATOM 83 N TYR A 7 14.675 -16.833 -13.261 1.00 0.00 N ATOM 84 CA TYR A 7 15.360 -16.782 -14.564 1.00 0.00 C ATOM 85 C TYR A 7 14.856 -17.900 -15.458 1.00 0.00 C ATOM 86 O TYR A 7 15.605 -18.640 -16.078 1.00 0.00 O ATOM 87 CB TYR A 7 16.879 -16.819 -14.417 1.00 0.00 C ATOM 88 CG TYR A 7 17.418 -15.617 -13.701 1.00 0.00 C ATOM 89 CD1 TYR A 7 17.481 -14.387 -14.340 1.00 0.00 C ATOM 90 CD2 TYR A 7 17.841 -15.698 -12.384 1.00 0.00 C ATOM 91 CE1 TYR A 7 17.956 -13.276 -13.687 1.00 0.00 C ATOM 92 CE2 TYR A 7 18.317 -14.588 -11.724 1.00 0.00 C ATOM 93 CZ TYR A 7 18.371 -13.378 -12.381 1.00 0.00 C ATOM 94 OH TYR A 7 18.835 -12.265 -11.724 1.00 0.00 O ATOM 0 H TYR A 7 15.219 -17.261 -12.512 1.00 0.00 H new ATOM 0 HA TYR A 7 15.123 -15.828 -15.034 1.00 0.00 H new ATOM 0 HB2 TYR A 7 17.166 -17.720 -13.874 1.00 0.00 H new ATOM 0 HB3 TYR A 7 17.335 -16.883 -15.405 1.00 0.00 H new ATOM 0 HD1 TYR A 7 17.152 -14.302 -15.365 1.00 0.00 H new ATOM 0 HD2 TYR A 7 17.797 -16.646 -11.868 1.00 0.00 H new ATOM 0 HE1 TYR A 7 18.003 -12.326 -14.198 1.00 0.00 H new ATOM 0 HE2 TYR A 7 18.646 -14.665 -10.698 1.00 0.00 H new ATOM 0 HH TYR A 7 19.087 -12.507 -10.809 1.00 0.00 H new ATOM 104 N GLU A 8 13.565 -17.983 -15.488 1.00 0.00 N ATOM 105 CA GLU A 8 12.807 -18.928 -16.222 1.00 0.00 C ATOM 106 C GLU A 8 11.611 -18.173 -16.743 1.00 0.00 C ATOM 107 O GLU A 8 11.059 -17.341 -16.021 1.00 0.00 O ATOM 108 CB GLU A 8 12.366 -20.019 -15.248 1.00 0.00 C ATOM 109 CG GLU A 8 11.519 -21.128 -15.829 1.00 0.00 C ATOM 110 CD GLU A 8 11.227 -22.179 -14.785 1.00 0.00 C ATOM 111 OE1 GLU A 8 12.187 -22.841 -14.325 1.00 0.00 O ATOM 112 OE2 GLU A 8 10.051 -22.344 -14.399 1.00 0.00 O ATOM 0 H GLU A 8 12.975 -17.341 -14.958 1.00 0.00 H new ATOM 0 HA GLU A 8 13.360 -19.387 -17.041 1.00 0.00 H new ATOM 0 HB2 GLU A 8 13.257 -20.464 -14.805 1.00 0.00 H new ATOM 0 HB3 GLU A 8 11.808 -19.550 -14.438 1.00 0.00 H new ATOM 0 HG2 GLU A 8 10.584 -20.717 -16.210 1.00 0.00 H new ATOM 0 HG3 GLU A 8 12.036 -21.582 -16.675 1.00 0.00 H new ATOM 119 N CYS A 9 11.243 -18.409 -17.981 1.00 0.00 N ATOM 120 CA CYS A 9 10.107 -17.733 -18.563 1.00 0.00 C ATOM 121 C CYS A 9 8.823 -18.298 -17.962 1.00 0.00 C ATOM 122 O CYS A 9 8.444 -19.426 -18.257 1.00 0.00 O ATOM 123 CB CYS A 9 10.139 -17.929 -20.081 1.00 0.00 C ATOM 124 SG CYS A 9 8.758 -17.198 -21.034 1.00 0.00 S ATOM 0 H CYS A 9 11.714 -19.064 -18.605 1.00 0.00 H new ATOM 0 HA CYS A 9 10.145 -16.665 -18.348 1.00 0.00 H new ATOM 0 HB2 CYS A 9 11.072 -17.510 -20.458 1.00 0.00 H new ATOM 0 HB3 CYS A 9 10.164 -18.999 -20.285 1.00 0.00 H new ATOM 129 N PRO A 10 8.130 -17.512 -17.105 1.00 0.00 N ATOM 130 CA PRO A 10 6.954 -17.989 -16.375 1.00 0.00 C ATOM 131 C PRO A 10 5.776 -18.251 -17.301 1.00 0.00 C ATOM 132 O PRO A 10 4.823 -18.926 -16.932 1.00 0.00 O ATOM 133 CB PRO A 10 6.641 -16.843 -15.406 1.00 0.00 C ATOM 134 CG PRO A 10 7.206 -15.637 -16.062 1.00 0.00 C ATOM 135 CD PRO A 10 8.433 -16.099 -16.797 1.00 0.00 C ATOM 0 HA PRO A 10 7.139 -18.939 -15.874 1.00 0.00 H new ATOM 0 HB2 PRO A 10 5.568 -16.741 -15.245 1.00 0.00 H new ATOM 0 HB3 PRO A 10 7.095 -17.013 -14.430 1.00 0.00 H new ATOM 0 HG2 PRO A 10 6.485 -15.193 -16.748 1.00 0.00 H new ATOM 0 HG3 PRO A 10 7.457 -14.874 -15.325 1.00 0.00 H new ATOM 0 HD2 PRO A 10 8.603 -15.517 -17.703 1.00 0.00 H new ATOM 0 HD3 PRO A 10 9.329 -16.004 -16.184 1.00 0.00 H new ATOM 143 N ILE A 11 5.839 -17.698 -18.497 1.00 0.00 N ATOM 144 CA ILE A 11 4.809 -17.912 -19.492 1.00 0.00 C ATOM 145 C ILE A 11 4.788 -19.380 -19.941 1.00 0.00 C ATOM 146 O ILE A 11 3.725 -19.982 -20.073 1.00 0.00 O ATOM 147 CB ILE A 11 4.969 -16.959 -20.708 1.00 0.00 C ATOM 148 CG1 ILE A 11 4.725 -15.510 -20.269 1.00 0.00 C ATOM 149 CG2 ILE A 11 4.011 -17.335 -21.835 1.00 0.00 C ATOM 150 CD1 ILE A 11 5.014 -14.483 -21.343 1.00 0.00 C ATOM 0 H ILE A 11 6.600 -17.092 -18.804 1.00 0.00 H new ATOM 0 HA ILE A 11 3.851 -17.679 -19.027 1.00 0.00 H new ATOM 0 HB ILE A 11 5.987 -17.056 -21.086 1.00 0.00 H new ATOM 0 HG12 ILE A 11 3.687 -15.407 -19.953 1.00 0.00 H new ATOM 0 HG13 ILE A 11 5.346 -15.295 -19.399 1.00 0.00 H new ATOM 0 HG21 ILE A 11 4.147 -16.650 -22.672 1.00 0.00 H new ATOM 0 HG22 ILE A 11 4.217 -18.354 -22.163 1.00 0.00 H new ATOM 0 HG23 ILE A 11 2.984 -17.270 -21.476 1.00 0.00 H new ATOM 0 HD11 ILE A 11 4.817 -13.484 -20.954 1.00 0.00 H new ATOM 0 HD12 ILE A 11 6.059 -14.555 -21.644 1.00 0.00 H new ATOM 0 HD13 ILE A 11 4.374 -14.669 -22.206 1.00 0.00 H new ATOM 162 N CYS A 12 5.964 -19.950 -20.172 1.00 0.00 N ATOM 163 CA CYS A 12 6.049 -21.325 -20.650 1.00 0.00 C ATOM 164 C CYS A 12 6.481 -22.298 -19.551 1.00 0.00 C ATOM 165 O CYS A 12 6.320 -23.518 -19.693 1.00 0.00 O ATOM 166 CB CYS A 12 7.004 -21.405 -21.843 1.00 0.00 C ATOM 167 SG CYS A 12 8.688 -20.796 -21.500 1.00 0.00 S ATOM 0 H CYS A 12 6.863 -19.488 -20.038 1.00 0.00 H new ATOM 0 HA CYS A 12 5.049 -21.625 -20.964 1.00 0.00 H new ATOM 0 HB2 CYS A 12 7.066 -22.441 -22.175 1.00 0.00 H new ATOM 0 HB3 CYS A 12 6.584 -20.831 -22.669 1.00 0.00 H new ATOM 172 N LEU A 13 7.036 -21.753 -18.462 1.00 0.00 N ATOM 173 CA LEU A 13 7.584 -22.537 -17.335 1.00 0.00 C ATOM 174 C LEU A 13 8.681 -23.498 -17.799 1.00 0.00 C ATOM 175 O LEU A 13 8.979 -24.491 -17.134 1.00 0.00 O ATOM 176 CB LEU A 13 6.496 -23.331 -16.574 1.00 0.00 C ATOM 177 CG LEU A 13 5.506 -22.539 -15.712 1.00 0.00 C ATOM 178 CD1 LEU A 13 4.433 -21.895 -16.563 1.00 0.00 C ATOM 179 CD2 LEU A 13 4.885 -23.432 -14.648 1.00 0.00 C ATOM 0 H LEU A 13 7.121 -20.745 -18.332 1.00 0.00 H new ATOM 0 HA LEU A 13 8.011 -21.806 -16.649 1.00 0.00 H new ATOM 0 HB2 LEU A 13 5.923 -23.900 -17.306 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.997 -24.054 -15.930 1.00 0.00 H new ATOM 0 HG LEU A 13 6.059 -21.743 -15.213 1.00 0.00 H new ATOM 0 HD11 LEU A 13 3.746 -21.340 -15.924 1.00 0.00 H new ATOM 0 HD12 LEU A 13 4.895 -21.213 -17.277 1.00 0.00 H new ATOM 0 HD13 LEU A 13 3.884 -22.667 -17.102 1.00 0.00 H new ATOM 0 HD21 LEU A 13 4.186 -22.850 -14.048 1.00 0.00 H new ATOM 0 HD22 LEU A 13 4.354 -24.254 -15.128 1.00 0.00 H new ATOM 0 HD23 LEU A 13 5.669 -23.832 -14.006 1.00 0.00 H new ATOM 191 N MET A 14 9.291 -23.199 -18.923 1.00 0.00 N ATOM 192 CA MET A 14 10.327 -24.064 -19.454 1.00 0.00 C ATOM 193 C MET A 14 11.700 -23.580 -19.019 1.00 0.00 C ATOM 194 O MET A 14 12.385 -24.242 -18.230 1.00 0.00 O ATOM 195 CB MET A 14 10.236 -24.133 -20.987 1.00 0.00 C ATOM 196 CG MET A 14 8.950 -24.760 -21.544 1.00 0.00 C ATOM 197 SD MET A 14 8.914 -26.584 -21.536 1.00 0.00 S ATOM 198 CE MET A 14 8.981 -27.002 -19.792 1.00 0.00 C ATOM 0 H MET A 14 9.092 -22.372 -19.485 1.00 0.00 H new ATOM 0 HA MET A 14 10.177 -25.068 -19.056 1.00 0.00 H new ATOM 0 HB2 MET A 14 10.329 -23.123 -21.385 1.00 0.00 H new ATOM 0 HB3 MET A 14 11.088 -24.702 -21.359 1.00 0.00 H new ATOM 0 HG2 MET A 14 8.104 -24.393 -20.964 1.00 0.00 H new ATOM 0 HG3 MET A 14 8.809 -24.413 -22.568 1.00 0.00 H new ATOM 0 HE1 MET A 14 8.582 -28.005 -19.643 1.00 0.00 H new ATOM 0 HE2 MET A 14 10.015 -26.968 -19.449 1.00 0.00 H new ATOM 0 HE3 MET A 14 8.386 -26.287 -19.223 1.00 0.00 H new ATOM 208 N ALA A 15 12.074 -22.420 -19.522 1.00 0.00 N ATOM 209 CA ALA A 15 13.360 -21.791 -19.275 1.00 0.00 C ATOM 210 C ALA A 15 13.368 -20.496 -20.040 1.00 0.00 C ATOM 211 O ALA A 15 12.326 -20.078 -20.533 1.00 0.00 O ATOM 212 CB ALA A 15 14.498 -22.684 -19.770 1.00 0.00 C ATOM 0 H ALA A 15 11.472 -21.870 -20.135 1.00 0.00 H new ATOM 0 HA ALA A 15 13.504 -21.625 -18.207 1.00 0.00 H new ATOM 0 HB1 ALA A 15 15.454 -22.196 -19.577 1.00 0.00 H new ATOM 0 HB2 ALA A 15 14.465 -23.639 -19.246 1.00 0.00 H new ATOM 0 HB3 ALA A 15 14.388 -22.854 -20.841 1.00 0.00 H new ATOM 218 N LEU A 16 14.509 -19.858 -20.137 1.00 0.00 N ATOM 219 CA LEU A 16 14.640 -18.704 -20.996 1.00 0.00 C ATOM 220 C LEU A 16 15.245 -19.168 -22.303 1.00 0.00 C ATOM 221 O LEU A 16 16.416 -19.552 -22.339 1.00 0.00 O ATOM 222 CB LEU A 16 15.558 -17.663 -20.352 1.00 0.00 C ATOM 223 CG LEU A 16 15.112 -17.102 -18.999 1.00 0.00 C ATOM 224 CD1 LEU A 16 16.150 -16.138 -18.454 1.00 0.00 C ATOM 225 CD2 LEU A 16 13.772 -16.406 -19.129 1.00 0.00 C ATOM 0 H LEU A 16 15.358 -20.116 -19.634 1.00 0.00 H new ATOM 0 HA LEU A 16 13.664 -18.247 -21.159 1.00 0.00 H new ATOM 0 HB2 LEU A 16 16.545 -18.109 -20.228 1.00 0.00 H new ATOM 0 HB3 LEU A 16 15.669 -16.830 -21.046 1.00 0.00 H new ATOM 0 HG LEU A 16 15.008 -17.933 -18.302 1.00 0.00 H new ATOM 0 HD11 LEU A 16 15.816 -15.749 -17.492 1.00 0.00 H new ATOM 0 HD12 LEU A 16 17.099 -16.659 -18.325 1.00 0.00 H new ATOM 0 HD13 LEU A 16 16.282 -15.312 -19.153 1.00 0.00 H new ATOM 0 HD21 LEU A 16 13.470 -16.013 -18.158 1.00 0.00 H new ATOM 0 HD22 LEU A 16 13.856 -15.586 -19.842 1.00 0.00 H new ATOM 0 HD23 LEU A 16 13.025 -17.118 -19.481 1.00 0.00 H new ATOM 237 N ARG A 17 14.456 -19.175 -23.373 1.00 0.00 N ATOM 238 CA ARG A 17 14.973 -19.636 -24.657 1.00 0.00 C ATOM 239 C ARG A 17 16.069 -18.708 -25.180 1.00 0.00 C ATOM 240 O ARG A 17 17.118 -19.172 -25.627 1.00 0.00 O ATOM 241 CB ARG A 17 13.855 -19.792 -25.688 1.00 0.00 C ATOM 242 CG ARG A 17 14.338 -20.295 -27.047 1.00 0.00 C ATOM 243 CD ARG A 17 14.920 -21.699 -26.965 1.00 0.00 C ATOM 244 NE ARG A 17 15.412 -22.154 -28.270 1.00 0.00 N ATOM 245 CZ ARG A 17 16.372 -23.063 -28.456 1.00 0.00 C ATOM 246 NH1 ARG A 17 16.932 -23.667 -27.417 1.00 0.00 N ATOM 247 NH2 ARG A 17 16.758 -23.370 -29.681 1.00 0.00 N ATOM 0 H ARG A 17 13.481 -18.875 -23.380 1.00 0.00 H new ATOM 0 HA ARG A 17 15.414 -20.619 -24.494 1.00 0.00 H new ATOM 0 HB2 ARG A 17 13.108 -20.484 -25.299 1.00 0.00 H new ATOM 0 HB3 ARG A 17 13.359 -18.830 -25.822 1.00 0.00 H new ATOM 0 HG2 ARG A 17 13.506 -20.289 -27.752 1.00 0.00 H new ATOM 0 HG3 ARG A 17 15.093 -19.613 -27.438 1.00 0.00 H new ATOM 0 HD2 ARG A 17 15.736 -21.714 -26.242 1.00 0.00 H new ATOM 0 HD3 ARG A 17 14.159 -22.389 -26.601 1.00 0.00 H new ATOM 0 HE ARG A 17 14.987 -21.743 -29.101 1.00 0.00 H new ATOM 0 HH11 ARG A 17 16.630 -23.438 -26.470 1.00 0.00 H new ATOM 0 HH12 ARG A 17 17.665 -24.361 -27.565 1.00 0.00 H new ATOM 0 HH21 ARG A 17 16.323 -22.913 -30.482 1.00 0.00 H new ATOM 0 HH22 ARG A 17 17.491 -24.064 -29.826 1.00 0.00 H new ATOM 261 N GLU A 18 15.831 -17.410 -25.103 1.00 0.00 N ATOM 262 CA GLU A 18 16.843 -16.435 -25.501 1.00 0.00 C ATOM 263 C GLU A 18 17.005 -15.333 -24.462 1.00 0.00 C ATOM 264 O GLU A 18 17.966 -14.571 -24.511 1.00 0.00 O ATOM 265 CB GLU A 18 16.564 -15.836 -26.879 1.00 0.00 C ATOM 266 CG GLU A 18 16.640 -16.843 -28.017 1.00 0.00 C ATOM 267 CD GLU A 18 16.404 -16.220 -29.368 1.00 0.00 C ATOM 268 OE1 GLU A 18 16.520 -14.987 -29.495 1.00 0.00 O ATOM 269 OE2 GLU A 18 16.125 -16.963 -30.335 1.00 0.00 O ATOM 0 H GLU A 18 14.955 -17.005 -24.772 1.00 0.00 H new ATOM 0 HA GLU A 18 17.783 -16.983 -25.566 1.00 0.00 H new ATOM 0 HB2 GLU A 18 15.572 -15.383 -26.873 1.00 0.00 H new ATOM 0 HB3 GLU A 18 17.279 -15.035 -27.068 1.00 0.00 H new ATOM 0 HG2 GLU A 18 17.620 -17.320 -28.009 1.00 0.00 H new ATOM 0 HG3 GLU A 18 15.902 -17.628 -27.851 1.00 0.00 H new ATOM 276 N ALA A 19 16.045 -15.253 -23.542 1.00 0.00 N ATOM 277 CA ALA A 19 16.053 -14.283 -22.444 1.00 0.00 C ATOM 278 C ALA A 19 15.985 -12.841 -22.927 1.00 0.00 C ATOM 279 O ALA A 19 17.005 -12.219 -23.224 1.00 0.00 O ATOM 280 CB ALA A 19 17.249 -14.484 -21.518 1.00 0.00 C ATOM 0 H ALA A 19 15.230 -15.866 -23.536 1.00 0.00 H new ATOM 0 HA ALA A 19 15.144 -14.473 -21.874 1.00 0.00 H new ATOM 0 HB1 ALA A 19 17.218 -13.745 -20.717 1.00 0.00 H new ATOM 0 HB2 ALA A 19 17.213 -15.485 -21.089 1.00 0.00 H new ATOM 0 HB3 ALA A 19 18.172 -14.366 -22.085 1.00 0.00 H new ATOM 286 N VAL A 20 14.783 -12.322 -23.022 1.00 0.00 N ATOM 287 CA VAL A 20 14.593 -10.922 -23.305 1.00 0.00 C ATOM 288 C VAL A 20 14.196 -10.196 -22.027 1.00 0.00 C ATOM 289 O VAL A 20 13.189 -10.527 -21.392 1.00 0.00 O ATOM 290 CB VAL A 20 13.580 -10.643 -24.459 1.00 0.00 C ATOM 291 CG1 VAL A 20 14.108 -11.201 -25.774 1.00 0.00 C ATOM 292 CG2 VAL A 20 12.203 -11.214 -24.163 1.00 0.00 C ATOM 0 H VAL A 20 13.920 -12.853 -22.907 1.00 0.00 H new ATOM 0 HA VAL A 20 15.545 -10.535 -23.668 1.00 0.00 H new ATOM 0 HB VAL A 20 13.475 -9.561 -24.542 1.00 0.00 H new ATOM 0 HG11 VAL A 20 13.391 -10.999 -26.569 1.00 0.00 H new ATOM 0 HG12 VAL A 20 15.060 -10.727 -26.014 1.00 0.00 H new ATOM 0 HG13 VAL A 20 14.252 -12.277 -25.681 1.00 0.00 H new ATOM 0 HG21 VAL A 20 11.532 -10.995 -24.994 1.00 0.00 H new ATOM 0 HG22 VAL A 20 12.277 -12.293 -24.031 1.00 0.00 H new ATOM 0 HG23 VAL A 20 11.811 -10.763 -23.251 1.00 0.00 H new ATOM 302 N GLN A 21 15.032 -9.274 -21.617 1.00 0.00 N ATOM 303 CA GLN A 21 14.809 -8.542 -20.393 1.00 0.00 C ATOM 304 C GLN A 21 13.803 -7.426 -20.621 1.00 0.00 C ATOM 305 O GLN A 21 13.935 -6.635 -21.551 1.00 0.00 O ATOM 306 CB GLN A 21 16.130 -7.974 -19.853 1.00 0.00 C ATOM 307 CG GLN A 21 16.003 -7.270 -18.504 1.00 0.00 C ATOM 308 CD GLN A 21 17.317 -6.684 -18.016 1.00 0.00 C ATOM 309 OE1 GLN A 21 18.158 -6.265 -18.804 1.00 0.00 O ATOM 310 NE2 GLN A 21 17.495 -6.634 -16.712 1.00 0.00 N ATOM 0 H GLN A 21 15.881 -9.011 -22.118 1.00 0.00 H new ATOM 0 HA GLN A 21 14.404 -9.229 -19.650 1.00 0.00 H new ATOM 0 HB2 GLN A 21 16.851 -8.786 -19.760 1.00 0.00 H new ATOM 0 HB3 GLN A 21 16.535 -7.271 -20.581 1.00 0.00 H new ATOM 0 HG2 GLN A 21 15.263 -6.473 -18.584 1.00 0.00 H new ATOM 0 HG3 GLN A 21 15.630 -7.978 -17.764 1.00 0.00 H new ATOM 0 HE21 GLN A 21 16.774 -6.992 -16.085 1.00 0.00 H new ATOM 0 HE22 GLN A 21 18.353 -6.238 -16.329 1.00 0.00 H new ATOM 319 N THR A 22 12.797 -7.394 -19.784 1.00 0.00 N ATOM 320 CA THR A 22 11.828 -6.323 -19.785 1.00 0.00 C ATOM 321 C THR A 22 12.321 -5.217 -18.850 1.00 0.00 C ATOM 322 O THR A 22 13.087 -5.497 -17.916 1.00 0.00 O ATOM 323 CB THR A 22 10.456 -6.847 -19.314 1.00 0.00 C ATOM 324 OG1 THR A 22 10.614 -7.577 -18.098 1.00 0.00 O ATOM 325 CG2 THR A 22 9.849 -7.756 -20.368 1.00 0.00 C ATOM 0 H THR A 22 12.625 -8.111 -19.080 1.00 0.00 H new ATOM 0 HA THR A 22 11.714 -5.929 -20.795 1.00 0.00 H new ATOM 0 HB THR A 22 9.793 -5.997 -19.151 1.00 0.00 H new ATOM 0 HG1 THR A 22 10.994 -8.459 -18.293 1.00 0.00 H new ATOM 0 HG21 THR A 22 8.881 -8.118 -20.022 1.00 0.00 H new ATOM 0 HG22 THR A 22 9.718 -7.200 -21.296 1.00 0.00 H new ATOM 0 HG23 THR A 22 10.512 -8.603 -20.543 1.00 0.00 H new ATOM 333 N PRO A 23 11.890 -3.959 -19.058 1.00 0.00 N ATOM 334 CA PRO A 23 12.411 -2.809 -18.301 1.00 0.00 C ATOM 335 C PRO A 23 12.172 -2.925 -16.795 1.00 0.00 C ATOM 336 O PRO A 23 12.969 -2.439 -16.000 1.00 0.00 O ATOM 337 CB PRO A 23 11.644 -1.617 -18.889 1.00 0.00 C ATOM 338 CG PRO A 23 10.425 -2.225 -19.485 1.00 0.00 C ATOM 339 CD PRO A 23 10.870 -3.541 -20.037 1.00 0.00 C ATOM 0 HA PRO A 23 13.494 -2.723 -18.395 1.00 0.00 H new ATOM 0 HB2 PRO A 23 11.390 -0.888 -18.119 1.00 0.00 H new ATOM 0 HB3 PRO A 23 12.236 -1.094 -19.640 1.00 0.00 H new ATOM 0 HG2 PRO A 23 9.644 -2.357 -18.736 1.00 0.00 H new ATOM 0 HG3 PRO A 23 10.011 -1.590 -20.268 1.00 0.00 H new ATOM 0 HD2 PRO A 23 10.049 -4.255 -20.100 1.00 0.00 H new ATOM 0 HD3 PRO A 23 11.284 -3.443 -21.040 1.00 0.00 H new ATOM 347 N CYS A 24 11.102 -3.605 -16.404 1.00 0.00 N ATOM 348 CA CYS A 24 10.802 -3.789 -14.998 1.00 0.00 C ATOM 349 C CYS A 24 11.706 -4.855 -14.352 1.00 0.00 C ATOM 350 O CYS A 24 11.804 -4.945 -13.125 1.00 0.00 O ATOM 351 CB CYS A 24 9.323 -4.098 -14.811 1.00 0.00 C ATOM 352 SG CYS A 24 8.612 -5.132 -16.121 1.00 0.00 S ATOM 0 H CYS A 24 10.432 -4.035 -17.041 1.00 0.00 H new ATOM 0 HA CYS A 24 11.018 -2.855 -14.478 1.00 0.00 H new ATOM 0 HB2 CYS A 24 9.186 -4.599 -13.853 1.00 0.00 H new ATOM 0 HB3 CYS A 24 8.770 -3.160 -14.763 1.00 0.00 H new ATOM 357 N GLY A 25 12.369 -5.650 -15.184 1.00 0.00 N ATOM 358 CA GLY A 25 13.339 -6.605 -14.681 1.00 0.00 C ATOM 359 C GLY A 25 12.855 -8.037 -14.696 1.00 0.00 C ATOM 360 O GLY A 25 13.074 -8.782 -13.740 1.00 0.00 O ATOM 0 H GLY A 25 12.252 -5.650 -16.197 1.00 0.00 H new ATOM 0 HA2 GLY A 25 14.248 -6.533 -15.278 1.00 0.00 H new ATOM 0 HA3 GLY A 25 13.606 -6.333 -13.660 1.00 0.00 H new ATOM 364 N HIS A 26 12.197 -8.432 -15.768 1.00 0.00 N ATOM 365 CA HIS A 26 11.732 -9.811 -15.908 1.00 0.00 C ATOM 366 C HIS A 26 12.266 -10.357 -17.217 1.00 0.00 C ATOM 367 O HIS A 26 12.362 -9.622 -18.198 1.00 0.00 O ATOM 368 CB HIS A 26 10.203 -9.879 -15.950 1.00 0.00 C ATOM 369 CG HIS A 26 9.515 -9.180 -14.830 1.00 0.00 C ATOM 370 ND1 HIS A 26 9.006 -7.936 -14.784 1.00 0.00 N flip ATOM 371 CD2 HIS A 26 9.280 -9.737 -13.593 1.00 0.00 C flip ATOM 372 CE1 HIS A 26 8.477 -7.745 -13.544 1.00 0.00 C flip ATOM 373 NE2 HIS A 26 8.650 -8.847 -12.831 1.00 0.00 N flip ATOM 0 H HIS A 26 11.970 -7.825 -16.556 1.00 0.00 H new ATOM 0 HA HIS A 26 12.084 -10.389 -15.054 1.00 0.00 H new ATOM 0 HB2 HIS A 26 9.860 -9.451 -16.892 1.00 0.00 H new ATOM 0 HB3 HIS A 26 9.900 -10.926 -15.947 1.00 0.00 H new ATOM 0 HD1 HIS A 26 9.015 -7.256 -15.544 1.00 0.00 H new ATOM 0 HD2 HIS A 26 9.562 -10.735 -13.290 1.00 0.00 H new ATOM 0 HE1 HIS A 26 7.995 -6.842 -13.199 1.00 0.00 H new ATOM 380 N ARG A 27 12.633 -11.619 -17.249 1.00 0.00 N ATOM 381 CA ARG A 27 13.146 -12.200 -18.480 1.00 0.00 C ATOM 382 C ARG A 27 12.144 -13.196 -19.058 1.00 0.00 C ATOM 383 O ARG A 27 11.562 -14.003 -18.325 1.00 0.00 O ATOM 384 CB ARG A 27 14.525 -12.860 -18.283 1.00 0.00 C ATOM 385 CG ARG A 27 15.651 -11.912 -17.858 1.00 0.00 C ATOM 386 CD ARG A 27 15.559 -11.557 -16.381 1.00 0.00 C ATOM 387 NE ARG A 27 16.617 -10.647 -15.945 1.00 0.00 N ATOM 388 CZ ARG A 27 16.647 -10.048 -14.749 1.00 0.00 C ATOM 389 NH1 ARG A 27 15.661 -10.251 -13.883 1.00 0.00 N ATOM 390 NH2 ARG A 27 17.667 -9.249 -14.419 1.00 0.00 N ATOM 0 H ARG A 27 12.589 -12.257 -16.454 1.00 0.00 H new ATOM 0 HA ARG A 27 13.283 -11.386 -19.192 1.00 0.00 H new ATOM 0 HB2 ARG A 27 14.430 -13.644 -17.532 1.00 0.00 H new ATOM 0 HB3 ARG A 27 14.814 -13.345 -19.215 1.00 0.00 H new ATOM 0 HG2 ARG A 27 16.615 -12.378 -18.061 1.00 0.00 H new ATOM 0 HG3 ARG A 27 15.605 -11.001 -18.455 1.00 0.00 H new ATOM 0 HD2 ARG A 27 14.590 -11.100 -16.183 1.00 0.00 H new ATOM 0 HD3 ARG A 27 15.607 -12.471 -15.790 1.00 0.00 H new ATOM 0 HE ARG A 27 17.381 -10.457 -16.594 1.00 0.00 H new ATOM 0 HH11 ARG A 27 14.883 -10.863 -14.130 1.00 0.00 H new ATOM 0 HH12 ARG A 27 15.682 -9.795 -12.971 1.00 0.00 H new ATOM 0 HH21 ARG A 27 18.428 -9.093 -15.081 1.00 0.00 H new ATOM 0 HH22 ARG A 27 17.684 -8.795 -13.506 1.00 0.00 H new ATOM 404 N PHE A 28 11.935 -13.121 -20.353 1.00 0.00 N ATOM 405 CA PHE A 28 10.999 -13.998 -21.050 1.00 0.00 C ATOM 406 C PHE A 28 11.653 -14.535 -22.309 1.00 0.00 C ATOM 407 O PHE A 28 12.725 -14.070 -22.698 1.00 0.00 O ATOM 408 CB PHE A 28 9.719 -13.247 -21.436 1.00 0.00 C ATOM 409 CG PHE A 28 8.919 -12.700 -20.281 1.00 0.00 C ATOM 410 CD1 PHE A 28 7.975 -13.485 -19.643 1.00 0.00 C ATOM 411 CD2 PHE A 28 9.096 -11.398 -19.849 1.00 0.00 C ATOM 412 CE1 PHE A 28 7.232 -12.981 -18.591 1.00 0.00 C ATOM 413 CE2 PHE A 28 8.355 -10.888 -18.800 1.00 0.00 C ATOM 414 CZ PHE A 28 7.419 -11.680 -18.168 1.00 0.00 C ATOM 0 H PHE A 28 12.406 -12.451 -20.961 1.00 0.00 H new ATOM 0 HA PHE A 28 10.735 -14.816 -20.379 1.00 0.00 H new ATOM 0 HB2 PHE A 28 9.987 -12.421 -22.094 1.00 0.00 H new ATOM 0 HB3 PHE A 28 9.082 -13.919 -22.011 1.00 0.00 H new ATOM 0 HD1 PHE A 28 7.817 -14.502 -19.970 1.00 0.00 H new ATOM 0 HD2 PHE A 28 9.825 -10.770 -20.339 1.00 0.00 H new ATOM 0 HE1 PHE A 28 6.503 -13.607 -18.099 1.00 0.00 H new ATOM 0 HE2 PHE A 28 8.509 -9.870 -18.475 1.00 0.00 H new ATOM 0 HZ PHE A 28 6.837 -11.285 -17.348 1.00 0.00 H new ATOM 424 N CYS A 29 11.041 -15.526 -22.928 1.00 0.00 N ATOM 425 CA CYS A 29 11.512 -15.996 -24.222 1.00 0.00 C ATOM 426 C CYS A 29 11.100 -15.012 -25.309 1.00 0.00 C ATOM 427 O CYS A 29 10.119 -14.275 -25.157 1.00 0.00 O ATOM 428 CB CYS A 29 10.946 -17.372 -24.539 1.00 0.00 C ATOM 429 SG CYS A 29 11.281 -18.633 -23.277 1.00 0.00 S ATOM 0 H CYS A 29 10.225 -16.018 -22.563 1.00 0.00 H new ATOM 0 HA CYS A 29 12.599 -16.069 -24.185 1.00 0.00 H new ATOM 0 HB2 CYS A 29 9.867 -17.286 -24.671 1.00 0.00 H new ATOM 0 HB3 CYS A 29 11.357 -17.710 -25.490 1.00 0.00 H new ATOM 434 N LYS A 30 11.827 -15.030 -26.411 1.00 0.00 N ATOM 435 CA LYS A 30 11.641 -14.078 -27.505 1.00 0.00 C ATOM 436 C LYS A 30 10.307 -14.308 -28.231 1.00 0.00 C ATOM 437 O LYS A 30 9.871 -13.483 -29.029 1.00 0.00 O ATOM 438 CB LYS A 30 12.808 -14.182 -28.493 1.00 0.00 C ATOM 439 CG LYS A 30 12.754 -13.176 -29.627 1.00 0.00 C ATOM 440 CD LYS A 30 13.912 -13.346 -30.581 1.00 0.00 C ATOM 441 CE LYS A 30 13.848 -12.323 -31.694 1.00 0.00 C ATOM 442 NZ LYS A 30 14.983 -12.455 -32.628 1.00 0.00 N ATOM 0 H LYS A 30 12.570 -15.708 -26.579 1.00 0.00 H new ATOM 0 HA LYS A 30 11.618 -13.075 -27.079 1.00 0.00 H new ATOM 0 HB2 LYS A 30 13.743 -14.049 -27.949 1.00 0.00 H new ATOM 0 HB3 LYS A 30 12.824 -15.187 -28.914 1.00 0.00 H new ATOM 0 HG2 LYS A 30 11.816 -13.290 -30.170 1.00 0.00 H new ATOM 0 HG3 LYS A 30 12.765 -12.166 -29.218 1.00 0.00 H new ATOM 0 HD2 LYS A 30 14.853 -13.243 -30.040 1.00 0.00 H new ATOM 0 HD3 LYS A 30 13.896 -14.351 -31.003 1.00 0.00 H new ATOM 0 HE2 LYS A 30 12.912 -12.439 -32.241 1.00 0.00 H new ATOM 0 HE3 LYS A 30 13.845 -11.321 -31.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 14.903 -11.737 -33.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 15.875 -12.319 -32.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 14.972 -13.403 -33.056 1.00 0.00 H new ATOM 456 N ALA A 31 9.663 -15.413 -27.942 1.00 0.00 N ATOM 457 CA ALA A 31 8.408 -15.725 -28.590 1.00 0.00 C ATOM 458 C ALA A 31 7.263 -15.722 -27.589 1.00 0.00 C ATOM 459 O ALA A 31 6.173 -15.237 -27.890 1.00 0.00 O ATOM 460 CB ALA A 31 8.497 -17.073 -29.291 1.00 0.00 C ATOM 0 H ALA A 31 9.983 -16.108 -27.267 1.00 0.00 H new ATOM 0 HA ALA A 31 8.208 -14.954 -29.335 1.00 0.00 H new ATOM 0 HB1 ALA A 31 7.546 -17.295 -29.774 1.00 0.00 H new ATOM 0 HB2 ALA A 31 9.287 -17.041 -30.042 1.00 0.00 H new ATOM 0 HB3 ALA A 31 8.722 -17.849 -28.560 1.00 0.00 H new ATOM 466 N CYS A 32 7.527 -16.208 -26.377 1.00 0.00 N ATOM 467 CA CYS A 32 6.494 -16.317 -25.366 1.00 0.00 C ATOM 468 C CYS A 32 5.927 -14.950 -24.974 1.00 0.00 C ATOM 469 O CYS A 32 4.711 -14.774 -24.914 1.00 0.00 O ATOM 470 CB CYS A 32 7.042 -17.024 -24.124 1.00 0.00 C ATOM 471 SG CYS A 32 7.813 -18.647 -24.439 1.00 0.00 S ATOM 0 H CYS A 32 8.448 -16.530 -26.078 1.00 0.00 H new ATOM 0 HA CYS A 32 5.682 -16.904 -25.795 1.00 0.00 H new ATOM 0 HB2 CYS A 32 7.778 -16.375 -23.650 1.00 0.00 H new ATOM 0 HB3 CYS A 32 6.228 -17.157 -23.411 1.00 0.00 H new ATOM 476 N ILE A 33 6.808 -13.983 -24.717 1.00 0.00 N ATOM 477 CA ILE A 33 6.346 -12.664 -24.310 1.00 0.00 C ATOM 478 C ILE A 33 5.665 -11.920 -25.457 1.00 0.00 C ATOM 479 O ILE A 33 4.613 -11.322 -25.274 1.00 0.00 O ATOM 480 CB ILE A 33 7.469 -11.802 -23.664 1.00 0.00 C ATOM 481 CG1 ILE A 33 6.894 -10.516 -23.056 1.00 0.00 C ATOM 482 CG2 ILE A 33 8.576 -11.481 -24.654 1.00 0.00 C ATOM 483 CD1 ILE A 33 5.905 -10.749 -21.932 1.00 0.00 C ATOM 0 H ILE A 33 7.821 -14.087 -24.782 1.00 0.00 H new ATOM 0 HA ILE A 33 5.599 -12.834 -23.535 1.00 0.00 H new ATOM 0 HB ILE A 33 7.909 -12.395 -22.862 1.00 0.00 H new ATOM 0 HG12 ILE A 33 7.716 -9.906 -22.681 1.00 0.00 H new ATOM 0 HG13 ILE A 33 6.404 -9.943 -23.843 1.00 0.00 H new ATOM 0 HG21 ILE A 33 9.340 -10.878 -24.163 1.00 0.00 H new ATOM 0 HG22 ILE A 33 9.022 -12.408 -25.014 1.00 0.00 H new ATOM 0 HG23 ILE A 33 8.162 -10.926 -25.496 1.00 0.00 H new ATOM 0 HD11 ILE A 33 5.547 -9.790 -21.558 1.00 0.00 H new ATOM 0 HD12 ILE A 33 5.062 -11.331 -22.304 1.00 0.00 H new ATOM 0 HD13 ILE A 33 6.394 -11.294 -21.124 1.00 0.00 H new ATOM 495 N ILE A 34 6.240 -12.017 -26.647 1.00 0.00 N ATOM 496 CA ILE A 34 5.718 -11.338 -27.817 1.00 0.00 C ATOM 497 C ILE A 34 4.323 -11.845 -28.190 1.00 0.00 C ATOM 498 O ILE A 34 3.411 -11.054 -28.450 1.00 0.00 O ATOM 499 CB ILE A 34 6.699 -11.367 -29.012 1.00 0.00 C ATOM 500 CG1 ILE A 34 7.925 -10.502 -28.690 1.00 0.00 C ATOM 501 CG2 ILE A 34 6.029 -10.879 -30.282 1.00 0.00 C ATOM 502 CD1 ILE A 34 9.031 -10.584 -29.717 1.00 0.00 C ATOM 0 H ILE A 34 7.080 -12.568 -26.825 1.00 0.00 H new ATOM 0 HA ILE A 34 5.612 -10.287 -27.548 1.00 0.00 H new ATOM 0 HB ILE A 34 7.015 -12.397 -29.177 1.00 0.00 H new ATOM 0 HG12 ILE A 34 7.608 -9.463 -28.597 1.00 0.00 H new ATOM 0 HG13 ILE A 34 8.322 -10.802 -27.720 1.00 0.00 H new ATOM 0 HG21 ILE A 34 6.743 -10.910 -31.105 1.00 0.00 H new ATOM 0 HG22 ILE A 34 5.179 -11.520 -30.514 1.00 0.00 H new ATOM 0 HG23 ILE A 34 5.683 -9.855 -30.141 1.00 0.00 H new ATOM 0 HD11 ILE A 34 9.858 -9.943 -29.413 1.00 0.00 H new ATOM 0 HD12 ILE A 34 9.379 -11.614 -29.795 1.00 0.00 H new ATOM 0 HD13 ILE A 34 8.654 -10.254 -30.685 1.00 0.00 H new ATOM 514 N LYS A 35 4.143 -13.155 -28.134 1.00 0.00 N ATOM 515 CA LYS A 35 2.870 -13.774 -28.483 1.00 0.00 C ATOM 516 C LYS A 35 1.870 -13.611 -27.325 1.00 0.00 C ATOM 517 O LYS A 35 0.725 -14.024 -27.409 1.00 0.00 O ATOM 518 CB LYS A 35 3.085 -15.264 -28.817 1.00 0.00 C ATOM 519 CG LYS A 35 1.815 -16.060 -29.132 1.00 0.00 C ATOM 520 CD LYS A 35 1.087 -15.538 -30.362 1.00 0.00 C ATOM 521 CE LYS A 35 -0.118 -16.412 -30.693 1.00 0.00 C ATOM 522 NZ LYS A 35 -1.153 -16.371 -29.623 1.00 0.00 N ATOM 0 H LYS A 35 4.866 -13.815 -27.849 1.00 0.00 H new ATOM 0 HA LYS A 35 2.458 -13.280 -29.363 1.00 0.00 H new ATOM 0 HB2 LYS A 35 3.757 -15.333 -29.672 1.00 0.00 H new ATOM 0 HB3 LYS A 35 3.590 -15.738 -27.975 1.00 0.00 H new ATOM 0 HG2 LYS A 35 2.076 -17.107 -29.286 1.00 0.00 H new ATOM 0 HG3 LYS A 35 1.144 -16.021 -28.274 1.00 0.00 H new ATOM 0 HD2 LYS A 35 0.761 -14.513 -30.189 1.00 0.00 H new ATOM 0 HD3 LYS A 35 1.770 -15.516 -31.211 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -0.557 -16.081 -31.634 1.00 0.00 H new ATOM 0 HE3 LYS A 35 0.211 -17.441 -30.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -1.922 -17.031 -29.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -0.726 -16.647 -28.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -1.536 -15.407 -29.547 1.00 0.00 H new ATOM 536 N SER A 36 2.307 -12.990 -26.255 1.00 0.00 N ATOM 537 CA SER A 36 1.409 -12.682 -25.176 1.00 0.00 C ATOM 538 C SER A 36 1.076 -11.183 -25.158 1.00 0.00 C ATOM 539 O SER A 36 0.039 -10.778 -24.634 1.00 0.00 O ATOM 540 CB SER A 36 2.012 -13.129 -23.848 1.00 0.00 C ATOM 541 OG SER A 36 2.255 -14.532 -23.862 1.00 0.00 O ATOM 0 H SER A 36 3.272 -12.691 -26.112 1.00 0.00 H new ATOM 0 HA SER A 36 0.477 -13.226 -25.329 1.00 0.00 H new ATOM 0 HB2 SER A 36 2.944 -12.594 -23.666 1.00 0.00 H new ATOM 0 HB3 SER A 36 1.335 -12.879 -23.031 1.00 0.00 H new ATOM 0 HG SER A 36 3.029 -14.724 -24.432 1.00 0.00 H new ATOM 547 N ILE A 37 1.917 -10.360 -25.790 1.00 0.00 N ATOM 548 CA ILE A 37 1.701 -8.914 -25.749 1.00 0.00 C ATOM 549 C ILE A 37 1.117 -8.349 -27.040 1.00 0.00 C ATOM 550 O ILE A 37 0.515 -7.281 -27.029 1.00 0.00 O ATOM 551 CB ILE A 37 2.963 -8.120 -25.336 1.00 0.00 C ATOM 552 CG1 ILE A 37 4.135 -8.405 -26.280 1.00 0.00 C ATOM 553 CG2 ILE A 37 3.334 -8.406 -23.891 1.00 0.00 C ATOM 554 CD1 ILE A 37 5.365 -7.569 -25.999 1.00 0.00 C ATOM 0 H ILE A 37 2.733 -10.661 -26.323 1.00 0.00 H new ATOM 0 HA ILE A 37 0.954 -8.779 -24.967 1.00 0.00 H new ATOM 0 HB ILE A 37 2.731 -7.058 -25.417 1.00 0.00 H new ATOM 0 HG12 ILE A 37 4.400 -9.460 -26.207 1.00 0.00 H new ATOM 0 HG13 ILE A 37 3.814 -8.228 -27.306 1.00 0.00 H new ATOM 0 HG21 ILE A 37 4.224 -7.836 -23.624 1.00 0.00 H new ATOM 0 HG22 ILE A 37 2.509 -8.117 -23.240 1.00 0.00 H new ATOM 0 HG23 ILE A 37 3.535 -9.471 -23.771 1.00 0.00 H new ATOM 0 HD11 ILE A 37 6.151 -7.828 -26.708 1.00 0.00 H new ATOM 0 HD12 ILE A 37 5.118 -6.512 -26.101 1.00 0.00 H new ATOM 0 HD13 ILE A 37 5.713 -7.764 -24.985 1.00 0.00 H new ATOM 566 N ARG A 38 1.277 -9.057 -28.149 1.00 0.00 N ATOM 567 CA ARG A 38 0.583 -8.656 -29.371 1.00 0.00 C ATOM 568 C ARG A 38 -0.682 -9.475 -29.525 1.00 0.00 C ATOM 569 O ARG A 38 -1.364 -9.419 -30.547 1.00 0.00 O ATOM 570 CB ARG A 38 1.466 -8.753 -30.626 1.00 0.00 C ATOM 571 CG ARG A 38 1.919 -10.153 -30.990 1.00 0.00 C ATOM 572 CD ARG A 38 2.699 -10.168 -32.296 1.00 0.00 C ATOM 573 NE ARG A 38 3.909 -9.341 -32.238 1.00 0.00 N ATOM 574 CZ ARG A 38 4.864 -9.317 -33.174 1.00 0.00 C ATOM 575 NH1 ARG A 38 4.795 -10.105 -34.233 1.00 0.00 N ATOM 576 NH2 ARG A 38 5.898 -8.513 -33.028 1.00 0.00 N ATOM 0 H ARG A 38 1.862 -9.888 -28.232 1.00 0.00 H new ATOM 0 HA ARG A 38 0.326 -7.601 -29.273 1.00 0.00 H new ATOM 0 HB2 ARG A 38 0.917 -8.335 -31.470 1.00 0.00 H new ATOM 0 HB3 ARG A 38 2.348 -8.130 -30.479 1.00 0.00 H new ATOM 0 HG2 ARG A 38 2.541 -10.554 -30.190 1.00 0.00 H new ATOM 0 HG3 ARG A 38 1.051 -10.806 -31.077 1.00 0.00 H new ATOM 0 HD2 ARG A 38 2.976 -11.194 -32.538 1.00 0.00 H new ATOM 0 HD3 ARG A 38 2.058 -9.812 -33.102 1.00 0.00 H new ATOM 0 HE ARG A 38 4.031 -8.740 -31.423 1.00 0.00 H new ATOM 0 HH11 ARG A 38 4.006 -10.742 -34.344 1.00 0.00 H new ATOM 0 HH12 ARG A 38 5.531 -10.076 -34.939 1.00 0.00 H new ATOM 0 HH21 ARG A 38 5.966 -7.914 -32.205 1.00 0.00 H new ATOM 0 HH22 ARG A 38 6.630 -8.490 -33.738 1.00 0.00 H new ATOM 590 N ASP A 39 -0.991 -10.235 -28.491 1.00 0.00 N ATOM 591 CA ASP A 39 -2.146 -11.111 -28.499 1.00 0.00 C ATOM 592 C ASP A 39 -3.138 -10.664 -27.434 1.00 0.00 C ATOM 593 O ASP A 39 -4.297 -10.375 -27.733 1.00 0.00 O ATOM 594 CB ASP A 39 -1.697 -12.538 -28.217 1.00 0.00 C ATOM 595 CG ASP A 39 -2.768 -13.569 -28.464 1.00 0.00 C ATOM 596 OD1 ASP A 39 -3.612 -13.788 -27.582 1.00 0.00 O ATOM 597 OD2 ASP A 39 -2.744 -14.199 -29.541 1.00 0.00 O ATOM 0 H ASP A 39 -0.451 -10.262 -27.626 1.00 0.00 H new ATOM 0 HA ASP A 39 -2.629 -11.068 -29.475 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -0.833 -12.768 -28.841 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -1.369 -12.608 -27.180 1.00 0.00 H new ATOM 602 N ALA A 40 -2.673 -10.578 -26.195 1.00 0.00 N ATOM 603 CA ALA A 40 -3.511 -10.120 -25.105 1.00 0.00 C ATOM 604 C ALA A 40 -3.466 -8.603 -25.003 1.00 0.00 C ATOM 605 O ALA A 40 -4.426 -7.910 -25.363 1.00 0.00 O ATOM 606 CB ALA A 40 -3.076 -10.758 -23.792 1.00 0.00 C ATOM 0 H ALA A 40 -1.720 -10.820 -25.924 1.00 0.00 H new ATOM 0 HA ALA A 40 -4.538 -10.422 -25.308 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -3.716 -10.402 -22.985 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -3.158 -11.842 -23.870 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -2.042 -10.487 -23.581 1.00 0.00 H new ATOM 612 N GLY A 41 -2.344 -8.094 -24.531 1.00 0.00 N ATOM 613 CA GLY A 41 -2.156 -6.670 -24.401 1.00 0.00 C ATOM 614 C GLY A 41 -0.713 -6.350 -24.161 1.00 0.00 C ATOM 615 O GLY A 41 0.053 -7.228 -23.789 1.00 0.00 O ATOM 0 H GLY A 41 -1.546 -8.654 -24.230 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -2.500 -6.168 -25.305 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -2.760 -6.291 -23.577 1.00 0.00 H new ATOM 619 N HIS A 42 -0.335 -5.109 -24.350 1.00 0.00 N ATOM 620 CA HIS A 42 1.055 -4.720 -24.211 1.00 0.00 C ATOM 621 C HIS A 42 1.397 -4.344 -22.783 1.00 0.00 C ATOM 622 O HIS A 42 1.467 -3.160 -22.422 1.00 0.00 O ATOM 623 CB HIS A 42 1.432 -3.612 -25.198 1.00 0.00 C ATOM 624 CG HIS A 42 1.480 -4.073 -26.620 1.00 0.00 C ATOM 625 ND1 HIS A 42 0.423 -3.952 -27.496 1.00 0.00 N ATOM 626 CD2 HIS A 42 2.472 -4.675 -27.315 1.00 0.00 C ATOM 627 CE1 HIS A 42 0.763 -4.456 -28.664 1.00 0.00 C ATOM 628 NE2 HIS A 42 2.001 -4.902 -28.580 1.00 0.00 N ATOM 0 H HIS A 42 -0.967 -4.349 -24.600 1.00 0.00 H new ATOM 0 HA HIS A 42 1.659 -5.593 -24.461 1.00 0.00 H new ATOM 0 HB2 HIS A 42 0.712 -2.799 -25.112 1.00 0.00 H new ATOM 0 HB3 HIS A 42 2.405 -3.206 -24.923 1.00 0.00 H new ATOM 0 HD2 HIS A 42 3.453 -4.929 -26.941 1.00 0.00 H new ATOM 0 HE1 HIS A 42 0.135 -4.497 -29.542 1.00 0.00 H new ATOM 0 HE2 HIS A 42 2.523 -5.345 -29.336 1.00 0.00 H new ATOM 637 N LYS A 43 1.548 -5.370 -21.966 1.00 0.00 N ATOM 638 CA LYS A 43 1.961 -5.243 -20.591 1.00 0.00 C ATOM 639 C LYS A 43 2.501 -6.579 -20.116 1.00 0.00 C ATOM 640 O LYS A 43 2.141 -7.620 -20.672 1.00 0.00 O ATOM 641 CB LYS A 43 0.784 -4.781 -19.714 1.00 0.00 C ATOM 642 CG LYS A 43 -0.398 -5.741 -19.679 1.00 0.00 C ATOM 643 CD LYS A 43 -1.507 -5.228 -18.769 1.00 0.00 C ATOM 644 CE LYS A 43 -2.144 -3.963 -19.328 1.00 0.00 C ATOM 645 NZ LYS A 43 -3.244 -3.470 -18.472 1.00 0.00 N ATOM 0 H LYS A 43 1.382 -6.335 -22.252 1.00 0.00 H new ATOM 0 HA LYS A 43 2.745 -4.490 -20.511 1.00 0.00 H new ATOM 0 HB2 LYS A 43 1.144 -4.632 -18.696 1.00 0.00 H new ATOM 0 HB3 LYS A 43 0.438 -3.813 -20.075 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -0.788 -5.877 -20.688 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -0.064 -6.719 -19.332 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -2.268 -5.999 -18.651 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -1.102 -5.026 -17.778 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -1.384 -3.187 -19.424 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -2.526 -4.162 -20.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -3.649 -2.608 -18.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -3.982 -4.200 -18.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -2.876 -3.255 -17.523 1.00 0.00 H new ATOM 659 N CYS A 44 3.356 -6.564 -19.116 1.00 0.00 N ATOM 660 CA CYS A 44 3.843 -7.799 -18.557 1.00 0.00 C ATOM 661 C CYS A 44 2.792 -8.389 -17.617 1.00 0.00 C ATOM 662 O CYS A 44 2.357 -7.736 -16.680 1.00 0.00 O ATOM 663 CB CYS A 44 5.180 -7.580 -17.844 1.00 0.00 C ATOM 664 SG CYS A 44 5.228 -6.133 -16.744 1.00 0.00 S ATOM 0 H CYS A 44 3.723 -5.718 -18.680 1.00 0.00 H new ATOM 0 HA CYS A 44 4.020 -8.513 -19.362 1.00 0.00 H new ATOM 0 HB2 CYS A 44 5.415 -8.470 -17.261 1.00 0.00 H new ATOM 0 HB3 CYS A 44 5.963 -7.475 -18.595 1.00 0.00 H new ATOM 669 N PRO A 45 2.374 -9.635 -17.859 1.00 0.00 N ATOM 670 CA PRO A 45 1.257 -10.262 -17.123 1.00 0.00 C ATOM 671 C PRO A 45 1.523 -10.421 -15.624 1.00 0.00 C ATOM 672 O PRO A 45 0.591 -10.448 -14.817 1.00 0.00 O ATOM 673 CB PRO A 45 1.137 -11.641 -17.786 1.00 0.00 C ATOM 674 CG PRO A 45 2.479 -11.883 -18.387 1.00 0.00 C ATOM 675 CD PRO A 45 2.937 -10.546 -18.873 1.00 0.00 C ATOM 0 HA PRO A 45 0.356 -9.651 -17.175 1.00 0.00 H new ATOM 0 HB2 PRO A 45 0.883 -12.411 -17.057 1.00 0.00 H new ATOM 0 HB3 PRO A 45 0.355 -11.650 -18.545 1.00 0.00 H new ATOM 0 HG2 PRO A 45 3.172 -12.293 -17.652 1.00 0.00 H new ATOM 0 HG3 PRO A 45 2.421 -12.601 -19.205 1.00 0.00 H new ATOM 0 HD2 PRO A 45 4.024 -10.481 -18.920 1.00 0.00 H new ATOM 0 HD3 PRO A 45 2.561 -10.325 -19.872 1.00 0.00 H new ATOM 683 N VAL A 46 2.788 -10.531 -15.257 1.00 0.00 N ATOM 684 CA VAL A 46 3.157 -10.763 -13.869 1.00 0.00 C ATOM 685 C VAL A 46 2.924 -9.547 -12.952 1.00 0.00 C ATOM 686 O VAL A 46 2.394 -9.695 -11.850 1.00 0.00 O ATOM 687 CB VAL A 46 4.607 -11.308 -13.718 1.00 0.00 C ATOM 688 CG1 VAL A 46 4.704 -12.703 -14.315 1.00 0.00 C ATOM 689 CG2 VAL A 46 5.623 -10.389 -14.384 1.00 0.00 C ATOM 0 H VAL A 46 3.577 -10.464 -15.899 1.00 0.00 H new ATOM 0 HA VAL A 46 2.473 -11.540 -13.529 1.00 0.00 H new ATOM 0 HB VAL A 46 4.838 -11.349 -12.653 1.00 0.00 H new ATOM 0 HG11 VAL A 46 5.722 -13.076 -14.205 1.00 0.00 H new ATOM 0 HG12 VAL A 46 4.015 -13.370 -13.796 1.00 0.00 H new ATOM 0 HG13 VAL A 46 4.444 -12.665 -15.373 1.00 0.00 H new ATOM 0 HG21 VAL A 46 6.624 -10.801 -14.258 1.00 0.00 H new ATOM 0 HG22 VAL A 46 5.396 -10.305 -15.447 1.00 0.00 H new ATOM 0 HG23 VAL A 46 5.577 -9.402 -13.924 1.00 0.00 H new ATOM 699 N ASP A 47 3.318 -8.358 -13.383 1.00 0.00 N ATOM 700 CA ASP A 47 3.151 -7.161 -12.549 1.00 0.00 C ATOM 701 C ASP A 47 2.325 -6.077 -13.235 1.00 0.00 C ATOM 702 O ASP A 47 2.154 -4.983 -12.694 1.00 0.00 O ATOM 703 CB ASP A 47 4.511 -6.595 -12.102 1.00 0.00 C ATOM 704 CG ASP A 47 5.452 -6.331 -13.257 1.00 0.00 C ATOM 705 OD1 ASP A 47 5.694 -7.232 -14.069 1.00 0.00 O ATOM 706 OD2 ASP A 47 5.976 -5.216 -13.387 1.00 0.00 O ATOM 0 H ASP A 47 3.750 -8.189 -14.291 1.00 0.00 H new ATOM 0 HA ASP A 47 2.598 -7.480 -11.666 1.00 0.00 H new ATOM 0 HB2 ASP A 47 4.349 -5.667 -11.553 1.00 0.00 H new ATOM 0 HB3 ASP A 47 4.980 -7.296 -11.411 1.00 0.00 H new ATOM 711 N ASN A 48 1.801 -6.394 -14.411 1.00 0.00 N ATOM 712 CA ASN A 48 0.898 -5.507 -15.169 1.00 0.00 C ATOM 713 C ASN A 48 1.506 -4.143 -15.488 1.00 0.00 C ATOM 714 O ASN A 48 0.794 -3.131 -15.530 1.00 0.00 O ATOM 715 CB ASN A 48 -0.458 -5.353 -14.472 1.00 0.00 C ATOM 716 CG ASN A 48 -1.273 -6.628 -14.529 1.00 0.00 C ATOM 717 OD1 ASN A 48 -1.950 -6.907 -15.520 1.00 0.00 O ATOM 718 ND2 ASN A 48 -1.220 -7.408 -13.476 1.00 0.00 N ATOM 0 H ASN A 48 1.986 -7.281 -14.879 1.00 0.00 H new ATOM 0 HA ASN A 48 0.740 -6.002 -16.127 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -0.301 -5.070 -13.431 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -1.017 -4.544 -14.942 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -1.751 -8.279 -13.459 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -0.648 -7.144 -12.674 1.00 0.00 H new ATOM 725 N GLU A 49 2.801 -4.110 -15.734 1.00 0.00 N ATOM 726 CA GLU A 49 3.464 -2.875 -16.123 1.00 0.00 C ATOM 727 C GLU A 49 3.435 -2.760 -17.637 1.00 0.00 C ATOM 728 O GLU A 49 3.447 -3.771 -18.337 1.00 0.00 O ATOM 729 CB GLU A 49 4.904 -2.838 -15.605 1.00 0.00 C ATOM 730 CG GLU A 49 5.292 -1.539 -14.909 1.00 0.00 C ATOM 731 CD GLU A 49 5.307 -0.339 -15.826 1.00 0.00 C ATOM 732 OE1 GLU A 49 4.220 0.165 -16.174 1.00 0.00 O ATOM 733 OE2 GLU A 49 6.403 0.110 -16.205 1.00 0.00 O ATOM 0 H GLU A 49 3.416 -4.921 -15.672 1.00 0.00 H new ATOM 0 HA GLU A 49 2.938 -2.029 -15.681 1.00 0.00 H new ATOM 0 HB2 GLU A 49 5.048 -3.665 -14.910 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.582 -3.004 -16.442 1.00 0.00 H new ATOM 0 HG2 GLU A 49 4.594 -1.352 -14.093 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.280 -1.657 -14.464 1.00 0.00 H new ATOM 740 N ILE A 50 3.382 -1.544 -18.143 1.00 0.00 N ATOM 741 CA ILE A 50 3.253 -1.318 -19.571 1.00 0.00 C ATOM 742 C ILE A 50 4.509 -1.777 -20.302 1.00 0.00 C ATOM 743 O ILE A 50 5.613 -1.284 -20.041 1.00 0.00 O ATOM 744 CB ILE A 50 2.965 0.173 -19.891 1.00 0.00 C ATOM 745 CG1 ILE A 50 1.670 0.630 -19.199 1.00 0.00 C ATOM 746 CG2 ILE A 50 2.886 0.417 -21.398 1.00 0.00 C ATOM 747 CD1 ILE A 50 0.435 -0.165 -19.585 1.00 0.00 C ATOM 0 H ILE A 50 3.426 -0.692 -17.584 1.00 0.00 H new ATOM 0 HA ILE A 50 2.404 -1.906 -19.919 1.00 0.00 H new ATOM 0 HB ILE A 50 3.795 0.764 -19.505 1.00 0.00 H new ATOM 0 HG12 ILE A 50 1.807 0.563 -18.120 1.00 0.00 H new ATOM 0 HG13 ILE A 50 1.499 1.680 -19.434 1.00 0.00 H new ATOM 0 HG21 ILE A 50 2.683 1.471 -21.586 1.00 0.00 H new ATOM 0 HG22 ILE A 50 3.833 0.142 -21.861 1.00 0.00 H new ATOM 0 HG23 ILE A 50 2.085 -0.188 -21.823 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -0.431 0.225 -19.050 1.00 0.00 H new ATOM 0 HD12 ILE A 50 0.268 -0.079 -20.659 1.00 0.00 H new ATOM 0 HD13 ILE A 50 0.581 -1.213 -19.324 1.00 0.00 H new ATOM 759 N LEU A 51 4.338 -2.705 -21.210 1.00 0.00 N ATOM 760 CA LEU A 51 5.440 -3.280 -21.924 1.00 0.00 C ATOM 761 C LEU A 51 5.287 -3.081 -23.418 1.00 0.00 C ATOM 762 O LEU A 51 4.250 -3.409 -23.992 1.00 0.00 O ATOM 763 CB LEU A 51 5.564 -4.769 -21.589 1.00 0.00 C ATOM 764 CG LEU A 51 6.614 -5.560 -22.371 1.00 0.00 C ATOM 765 CD1 LEU A 51 8.010 -5.018 -22.099 1.00 0.00 C ATOM 766 CD2 LEU A 51 6.535 -7.031 -22.003 1.00 0.00 C ATOM 0 H LEU A 51 3.427 -3.081 -21.472 1.00 0.00 H new ATOM 0 HA LEU A 51 6.352 -2.771 -21.613 1.00 0.00 H new ATOM 0 HB2 LEU A 51 5.789 -4.862 -20.526 1.00 0.00 H new ATOM 0 HB3 LEU A 51 4.593 -5.237 -21.752 1.00 0.00 H new ATOM 0 HG LEU A 51 6.410 -5.451 -23.436 1.00 0.00 H new ATOM 0 HD11 LEU A 51 8.741 -5.595 -22.665 1.00 0.00 H new ATOM 0 HD12 LEU A 51 8.060 -3.972 -22.402 1.00 0.00 H new ATOM 0 HD13 LEU A 51 8.230 -5.098 -21.035 1.00 0.00 H new ATOM 0 HD21 LEU A 51 7.286 -7.587 -22.564 1.00 0.00 H new ATOM 0 HD22 LEU A 51 6.719 -7.149 -20.935 1.00 0.00 H new ATOM 0 HD23 LEU A 51 5.544 -7.414 -22.245 1.00 0.00 H new ATOM 778 N LEU A 52 6.311 -2.550 -24.038 1.00 0.00 N ATOM 779 CA LEU A 52 6.310 -2.357 -25.473 1.00 0.00 C ATOM 780 C LEU A 52 7.255 -3.345 -26.120 1.00 0.00 C ATOM 781 O LEU A 52 8.261 -3.732 -25.524 1.00 0.00 O ATOM 782 CB LEU A 52 6.673 -0.909 -25.871 1.00 0.00 C ATOM 783 CG LEU A 52 5.695 0.208 -25.454 1.00 0.00 C ATOM 784 CD1 LEU A 52 4.265 -0.118 -25.868 1.00 0.00 C ATOM 785 CD2 LEU A 52 5.782 0.519 -23.967 1.00 0.00 C ATOM 0 H LEU A 52 7.163 -2.241 -23.571 1.00 0.00 H new ATOM 0 HA LEU A 52 5.297 -2.535 -25.833 1.00 0.00 H new ATOM 0 HB2 LEU A 52 7.650 -0.678 -25.446 1.00 0.00 H new ATOM 0 HB3 LEU A 52 6.781 -0.875 -26.955 1.00 0.00 H new ATOM 0 HG LEU A 52 5.998 1.109 -25.988 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.603 0.691 -25.558 1.00 0.00 H new ATOM 0 HD12 LEU A 52 4.217 -0.232 -26.951 1.00 0.00 H new ATOM 0 HD13 LEU A 52 3.951 -1.047 -25.391 1.00 0.00 H new ATOM 0 HD21 LEU A 52 5.076 1.311 -23.719 1.00 0.00 H new ATOM 0 HD22 LEU A 52 5.540 -0.376 -23.393 1.00 0.00 H new ATOM 0 HD23 LEU A 52 6.793 0.844 -23.722 1.00 0.00 H new ATOM 797 N GLU A 53 6.930 -3.744 -27.335 1.00 0.00 N ATOM 798 CA GLU A 53 7.684 -4.757 -28.063 1.00 0.00 C ATOM 799 C GLU A 53 9.097 -4.261 -28.373 1.00 0.00 C ATOM 800 O GLU A 53 10.061 -5.021 -28.312 1.00 0.00 O ATOM 801 CB GLU A 53 6.924 -5.120 -29.342 1.00 0.00 C ATOM 802 CG GLU A 53 5.605 -5.821 -29.063 1.00 0.00 C ATOM 803 CD GLU A 53 4.782 -6.064 -30.301 1.00 0.00 C ATOM 804 OE1 GLU A 53 5.151 -6.919 -31.111 1.00 0.00 O ATOM 805 OE2 GLU A 53 3.744 -5.385 -30.478 1.00 0.00 O ATOM 0 H GLU A 53 6.131 -3.375 -27.851 1.00 0.00 H new ATOM 0 HA GLU A 53 7.786 -5.651 -27.448 1.00 0.00 H new ATOM 0 HB2 GLU A 53 6.734 -4.213 -29.916 1.00 0.00 H new ATOM 0 HB3 GLU A 53 7.549 -5.764 -29.960 1.00 0.00 H new ATOM 0 HG2 GLU A 53 5.805 -6.775 -28.576 1.00 0.00 H new ATOM 0 HG3 GLU A 53 5.025 -5.221 -28.362 1.00 0.00 H new ATOM 812 N ASN A 54 9.209 -2.979 -28.683 1.00 0.00 N ATOM 813 CA ASN A 54 10.497 -2.337 -28.951 1.00 0.00 C ATOM 814 C ASN A 54 11.384 -2.322 -27.707 1.00 0.00 C ATOM 815 O ASN A 54 12.605 -2.334 -27.804 1.00 0.00 O ATOM 816 CB ASN A 54 10.308 -0.915 -29.480 1.00 0.00 C ATOM 817 CG ASN A 54 9.742 -0.867 -30.884 1.00 0.00 C ATOM 818 OD1 ASN A 54 9.905 -1.799 -31.664 1.00 0.00 O ATOM 819 ND2 ASN A 54 9.069 0.217 -31.220 1.00 0.00 N ATOM 0 H ASN A 54 8.411 -2.349 -28.757 1.00 0.00 H new ATOM 0 HA ASN A 54 10.996 -2.928 -29.719 1.00 0.00 H new ATOM 0 HB2 ASN A 54 9.643 -0.371 -28.809 1.00 0.00 H new ATOM 0 HB3 ASN A 54 11.268 -0.399 -29.465 1.00 0.00 H new ATOM 0 HD21 ASN A 54 8.666 0.298 -32.153 1.00 0.00 H new ATOM 0 HD22 ASN A 54 8.952 0.974 -30.546 1.00 0.00 H new ATOM 826 N GLN A 55 10.750 -2.276 -26.545 1.00 0.00 N ATOM 827 CA GLN A 55 11.457 -2.247 -25.264 1.00 0.00 C ATOM 828 C GLN A 55 12.102 -3.591 -24.934 1.00 0.00 C ATOM 829 O GLN A 55 12.944 -3.681 -24.040 1.00 0.00 O ATOM 830 CB GLN A 55 10.520 -1.795 -24.145 1.00 0.00 C ATOM 831 CG GLN A 55 10.118 -0.331 -24.250 1.00 0.00 C ATOM 832 CD GLN A 55 11.283 0.600 -23.989 1.00 0.00 C ATOM 833 OE1 GLN A 55 12.029 0.950 -24.899 1.00 0.00 O ATOM 834 NE2 GLN A 55 11.438 1.015 -22.749 1.00 0.00 N ATOM 0 H GLN A 55 9.734 -2.258 -26.458 1.00 0.00 H new ATOM 0 HA GLN A 55 12.266 -1.522 -25.352 1.00 0.00 H new ATOM 0 HB2 GLN A 55 9.622 -2.413 -24.161 1.00 0.00 H new ATOM 0 HB3 GLN A 55 11.006 -1.963 -23.184 1.00 0.00 H new ATOM 0 HG2 GLN A 55 9.715 -0.137 -25.244 1.00 0.00 H new ATOM 0 HG3 GLN A 55 9.321 -0.122 -23.536 1.00 0.00 H new ATOM 0 HE21 GLN A 55 10.796 0.700 -22.022 1.00 0.00 H new ATOM 0 HE22 GLN A 55 12.200 1.651 -22.516 1.00 0.00 H new ATOM 843 N LEU A 56 11.694 -4.632 -25.641 1.00 0.00 N ATOM 844 CA LEU A 56 12.255 -5.956 -25.438 1.00 0.00 C ATOM 845 C LEU A 56 13.640 -6.061 -26.078 1.00 0.00 C ATOM 846 O LEU A 56 13.849 -5.609 -27.206 1.00 0.00 O ATOM 847 CB LEU A 56 11.329 -7.006 -26.050 1.00 0.00 C ATOM 848 CG LEU A 56 9.943 -7.127 -25.419 1.00 0.00 C ATOM 849 CD1 LEU A 56 9.076 -8.082 -26.216 1.00 0.00 C ATOM 850 CD2 LEU A 56 10.059 -7.596 -23.978 1.00 0.00 C ATOM 0 H LEU A 56 10.974 -4.585 -26.362 1.00 0.00 H new ATOM 0 HA LEU A 56 12.352 -6.130 -24.366 1.00 0.00 H new ATOM 0 HB2 LEU A 56 11.206 -6.780 -27.109 1.00 0.00 H new ATOM 0 HB3 LEU A 56 11.821 -7.977 -25.987 1.00 0.00 H new ATOM 0 HG LEU A 56 9.472 -6.144 -25.430 1.00 0.00 H new ATOM 0 HD11 LEU A 56 8.093 -8.155 -25.751 1.00 0.00 H new ATOM 0 HD12 LEU A 56 8.969 -7.711 -27.235 1.00 0.00 H new ATOM 0 HD13 LEU A 56 9.542 -9.067 -26.235 1.00 0.00 H new ATOM 0 HD21 LEU A 56 9.064 -7.678 -23.541 1.00 0.00 H new ATOM 0 HD22 LEU A 56 10.549 -8.569 -23.950 1.00 0.00 H new ATOM 0 HD23 LEU A 56 10.648 -6.878 -23.408 1.00 0.00 H new ATOM 862 N PHE A 57 14.573 -6.657 -25.359 1.00 0.00 N ATOM 863 CA PHE A 57 15.916 -6.872 -25.871 1.00 0.00 C ATOM 864 C PHE A 57 16.517 -8.117 -25.222 1.00 0.00 C ATOM 865 O PHE A 57 16.237 -8.400 -24.052 1.00 0.00 O ATOM 866 CB PHE A 57 16.814 -5.639 -25.607 1.00 0.00 C ATOM 867 CG PHE A 57 17.038 -5.306 -24.148 1.00 0.00 C ATOM 868 CD1 PHE A 57 16.117 -4.542 -23.448 1.00 0.00 C ATOM 869 CD2 PHE A 57 18.174 -5.755 -23.484 1.00 0.00 C ATOM 870 CE1 PHE A 57 16.320 -4.228 -22.117 1.00 0.00 C ATOM 871 CE2 PHE A 57 18.380 -5.446 -22.154 1.00 0.00 C ATOM 872 CZ PHE A 57 17.452 -4.680 -21.473 1.00 0.00 C ATOM 0 H PHE A 57 14.425 -7.004 -24.411 1.00 0.00 H new ATOM 0 HA PHE A 57 15.860 -7.019 -26.950 1.00 0.00 H new ATOM 0 HB2 PHE A 57 17.783 -5.807 -26.078 1.00 0.00 H new ATOM 0 HB3 PHE A 57 16.368 -4.773 -26.097 1.00 0.00 H new ATOM 0 HD1 PHE A 57 15.229 -4.187 -23.949 1.00 0.00 H new ATOM 0 HD2 PHE A 57 18.902 -6.351 -24.014 1.00 0.00 H new ATOM 0 HE1 PHE A 57 15.595 -3.631 -21.584 1.00 0.00 H new ATOM 0 HE2 PHE A 57 19.264 -5.802 -21.647 1.00 0.00 H new ATOM 0 HZ PHE A 57 17.614 -4.435 -20.434 1.00 0.00 H new ATOM 882 N PRO A 58 17.317 -8.902 -25.968 1.00 0.00 N ATOM 883 CA PRO A 58 17.989 -10.077 -25.407 1.00 0.00 C ATOM 884 C PRO A 58 19.021 -9.666 -24.371 1.00 0.00 C ATOM 885 O PRO A 58 19.697 -8.639 -24.535 1.00 0.00 O ATOM 886 CB PRO A 58 18.678 -10.710 -26.628 1.00 0.00 C ATOM 887 CG PRO A 58 18.861 -9.574 -27.576 1.00 0.00 C ATOM 888 CD PRO A 58 17.645 -8.709 -27.395 1.00 0.00 C ATOM 0 HA PRO A 58 17.303 -10.755 -24.900 1.00 0.00 H new ATOM 0 HB2 PRO A 58 19.633 -11.160 -26.357 1.00 0.00 H new ATOM 0 HB3 PRO A 58 18.066 -11.499 -27.066 1.00 0.00 H new ATOM 0 HG2 PRO A 58 19.774 -9.021 -27.356 1.00 0.00 H new ATOM 0 HG3 PRO A 58 18.943 -9.928 -28.604 1.00 0.00 H new ATOM 0 HD2 PRO A 58 17.854 -7.664 -27.624 1.00 0.00 H new ATOM 0 HD3 PRO A 58 16.827 -9.020 -28.044 1.00 0.00 H new ATOM 896 N ASP A 59 19.152 -10.443 -23.316 1.00 0.00 N ATOM 897 CA ASP A 59 20.115 -10.117 -22.288 1.00 0.00 C ATOM 898 C ASP A 59 20.664 -11.342 -21.591 1.00 0.00 C ATOM 899 O ASP A 59 19.915 -12.217 -21.146 1.00 0.00 O ATOM 900 CB ASP A 59 19.549 -9.151 -21.259 1.00 0.00 C ATOM 901 CG ASP A 59 20.612 -8.753 -20.269 1.00 0.00 C ATOM 902 OD1 ASP A 59 21.562 -8.046 -20.666 1.00 0.00 O ATOM 903 OD2 ASP A 59 20.532 -9.169 -19.095 1.00 0.00 O ATOM 0 H ASP A 59 18.612 -11.292 -23.150 1.00 0.00 H new ATOM 0 HA ASP A 59 20.939 -9.629 -22.808 1.00 0.00 H new ATOM 0 HB2 ASP A 59 19.159 -8.264 -21.759 1.00 0.00 H new ATOM 0 HB3 ASP A 59 18.713 -9.616 -20.737 1.00 0.00 H new ATOM 908 N ASN A 60 21.974 -11.404 -21.512 1.00 0.00 N ATOM 909 CA ASN A 60 22.654 -12.441 -20.762 1.00 0.00 C ATOM 910 C ASN A 60 23.507 -11.777 -19.669 1.00 0.00 C ATOM 911 O ASN A 60 24.531 -12.316 -19.242 1.00 0.00 O ATOM 912 CB ASN A 60 23.536 -13.269 -21.714 1.00 0.00 C ATOM 913 CG ASN A 60 23.961 -14.603 -21.125 1.00 0.00 C ATOM 914 OD1 ASN A 60 25.017 -14.721 -20.491 1.00 0.00 O ATOM 915 ND2 ASN A 60 23.152 -15.613 -21.327 1.00 0.00 N ATOM 0 H ASN A 60 22.600 -10.738 -21.965 1.00 0.00 H new ATOM 0 HA ASN A 60 21.931 -13.110 -20.296 1.00 0.00 H new ATOM 0 HB2 ASN A 60 22.992 -13.445 -22.642 1.00 0.00 H new ATOM 0 HB3 ASN A 60 24.425 -12.692 -21.970 1.00 0.00 H new ATOM 0 HD21 ASN A 60 23.384 -16.535 -20.957 1.00 0.00 H new ATOM 0 HD22 ASN A 60 22.290 -15.478 -21.855 1.00 0.00 H new ATOM 922 N PHE A 61 23.043 -10.602 -19.197 1.00 0.00 N ATOM 923 CA PHE A 61 23.806 -9.744 -18.277 1.00 0.00 C ATOM 924 C PHE A 61 25.086 -9.289 -18.955 1.00 0.00 C ATOM 925 O PHE A 61 26.142 -9.157 -18.323 1.00 0.00 O ATOM 926 CB PHE A 61 24.127 -10.458 -16.955 1.00 0.00 C ATOM 927 CG PHE A 61 22.930 -10.785 -16.115 1.00 0.00 C ATOM 928 CD1 PHE A 61 22.459 -9.876 -15.178 1.00 0.00 C ATOM 929 CD2 PHE A 61 22.289 -12.004 -16.249 1.00 0.00 C ATOM 930 CE1 PHE A 61 21.363 -10.176 -14.399 1.00 0.00 C ATOM 931 CE2 PHE A 61 21.190 -12.310 -15.474 1.00 0.00 C ATOM 932 CZ PHE A 61 20.732 -11.396 -14.546 1.00 0.00 C ATOM 0 H PHE A 61 22.129 -10.224 -19.445 1.00 0.00 H new ATOM 0 HA PHE A 61 23.189 -8.879 -18.033 1.00 0.00 H new ATOM 0 HB2 PHE A 61 24.662 -11.381 -17.177 1.00 0.00 H new ATOM 0 HB3 PHE A 61 24.802 -9.830 -16.373 1.00 0.00 H new ATOM 0 HD1 PHE A 61 22.956 -8.925 -15.058 1.00 0.00 H new ATOM 0 HD2 PHE A 61 22.653 -12.723 -16.968 1.00 0.00 H new ATOM 0 HE1 PHE A 61 20.999 -9.461 -13.677 1.00 0.00 H new ATOM 0 HE2 PHE A 61 20.690 -13.260 -15.592 1.00 0.00 H new ATOM 0 HZ PHE A 61 19.876 -11.636 -13.932 1.00 0.00 H new ATOM 942 N ALA A 62 24.981 -9.045 -20.246 1.00 0.00 N ATOM 943 CA ALA A 62 26.103 -8.640 -21.052 1.00 0.00 C ATOM 944 C ALA A 62 25.654 -7.588 -22.041 1.00 0.00 C ATOM 945 O ALA A 62 24.625 -7.750 -22.692 1.00 0.00 O ATOM 946 CB ALA A 62 26.671 -9.839 -21.795 1.00 0.00 C ATOM 0 H ALA A 62 24.106 -9.124 -20.764 1.00 0.00 H new ATOM 0 HA ALA A 62 26.879 -8.227 -20.408 1.00 0.00 H new ATOM 0 HB1 ALA A 62 27.519 -9.522 -22.402 1.00 0.00 H new ATOM 0 HB2 ALA A 62 26.999 -10.590 -21.077 1.00 0.00 H new ATOM 0 HB3 ALA A 62 25.902 -10.265 -22.440 1.00 0.00 H new ATOM 952 N LYS A 63 26.410 -6.530 -22.150 1.00 0.00 N ATOM 953 CA LYS A 63 26.087 -5.449 -23.049 1.00 0.00 C ATOM 954 C LYS A 63 27.390 -4.830 -23.515 1.00 0.00 C ATOM 955 O LYS A 63 27.858 -5.186 -24.607 1.00 0.00 O ATOM 956 CB LYS A 63 25.197 -4.408 -22.327 1.00 0.00 C ATOM 957 CG LYS A 63 24.395 -3.453 -23.231 1.00 0.00 C ATOM 958 CD LYS A 63 25.284 -2.530 -24.054 1.00 0.00 C ATOM 959 CE LYS A 63 24.462 -1.572 -24.898 1.00 0.00 C ATOM 960 NZ LYS A 63 25.320 -0.642 -25.667 1.00 0.00 N ATOM 961 OXT LYS A 63 27.963 -4.021 -22.770 1.00 0.00 O ATOM 0 H LYS A 63 27.269 -6.390 -21.618 1.00 0.00 H new ATOM 0 HA LYS A 63 25.527 -5.814 -23.910 1.00 0.00 H new ATOM 0 HB2 LYS A 63 24.496 -4.943 -21.687 1.00 0.00 H new ATOM 0 HB3 LYS A 63 25.832 -3.809 -21.674 1.00 0.00 H new ATOM 0 HG2 LYS A 63 23.767 -4.038 -23.903 1.00 0.00 H new ATOM 0 HG3 LYS A 63 23.728 -2.851 -22.614 1.00 0.00 H new ATOM 0 HD2 LYS A 63 25.936 -1.963 -23.389 1.00 0.00 H new ATOM 0 HD3 LYS A 63 25.928 -3.125 -24.701 1.00 0.00 H new ATOM 0 HE2 LYS A 63 23.834 -2.140 -25.585 1.00 0.00 H new ATOM 0 HE3 LYS A 63 23.794 -1.001 -24.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 24.722 -0.004 -26.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 25.901 -0.082 -25.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 25.940 -1.185 -26.301 1.00 0.00 H new TER 975 LYS A 63 HETATM 976 ZN ZN A 65 9.110 -18.973 -22.645 1.00 0.00 ZN HETATM 977 ZN ZN A 66 6.792 -6.032 -15.066 1.00 0.00 ZN