USER MOD reduce.3.24.130724 H: found=0, std=0, add=585, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 588 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 44 THR OG1 : rot -70:sc= -0.605 USER MOD Set 1.2: A 49 LYS NZ :NH3+ -165:sc= -0.857 (180deg=-1.14!) USER MOD Single : A 15 LYS NZ :NH3+ 167:sc= 1.19 (180deg=1.13) USER MOD Single : A 20 HIS : no HD1:sc= -0.474 K(o=-0.47,f=-3.6!) USER MOD Single : A 21 THR OG1 : rot 139:sc= 0.914 USER MOD Single : A 22 HIS : no HD1:sc= -0.268 X(o=-0.27,f=-0.011) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 29:sc= 0.0932 USER MOD Single : A 31 ASN : amide:sc= -0.381 K(o=-0.38,f=-1.1) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0.0769 USER MOD Single : A 47 SER OG : rot 180:sc= 0.00689 USER MOD Single : A 48 SER OG : rot 180:sc= -0.815 USER MOD Single : A 51 HIS : no HD1:sc= 1.1 K(o=1.1,f=-4.6!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 64 CYS SG : rot 44:sc= 1.23 USER MOD Single : A 68 THR OG1 : rot 78:sc= 0.969 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 LYS NZ :NH3+ -132:sc= 1.29 (180deg=0.516) USER MOD Single : A 75 THR OG1 : rot -65:sc= 0.544 USER MOD Single : A 77 ASN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 21:sc= 0.608 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 15 29.909 0.183 2.313 1.00 0.00 N ATOM 2 CA LYS A 15 29.533 0.441 0.907 1.00 0.00 C ATOM 3 C LYS A 15 28.919 1.828 0.786 1.00 0.00 C ATOM 4 O LYS A 15 28.328 2.329 1.742 1.00 0.00 O ATOM 5 CB LYS A 15 28.533 -0.613 0.412 1.00 0.00 C ATOM 6 CG LYS A 15 27.157 -0.512 1.053 1.00 0.00 C ATOM 7 CD LYS A 15 26.208 -1.568 0.510 1.00 0.00 C ATOM 8 CE LYS A 15 24.805 -1.415 1.080 1.00 0.00 C ATOM 9 NZ LYS A 15 24.145 -0.160 0.623 1.00 0.00 N ATOM 0 HA LYS A 15 30.431 0.385 0.291 1.00 0.00 H new ATOM 0 HB2 LYS A 15 28.427 -0.518 -0.669 1.00 0.00 H new ATOM 0 HB3 LYS A 15 28.941 -1.605 0.606 1.00 0.00 H new ATOM 0 HG2 LYS A 15 27.249 -0.625 2.133 1.00 0.00 H new ATOM 0 HG3 LYS A 15 26.742 0.479 0.871 1.00 0.00 H new ATOM 0 HD2 LYS A 15 26.168 -1.496 -0.577 1.00 0.00 H new ATOM 0 HD3 LYS A 15 26.592 -2.559 0.750 1.00 0.00 H new ATOM 0 HE2 LYS A 15 24.199 -2.271 0.783 1.00 0.00 H new ATOM 0 HE3 LYS A 15 24.854 -1.422 2.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 23.130 -0.199 0.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 24.575 0.654 1.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 24.268 -0.058 -0.405 1.00 0.00 H new ATOM 25 N PRO A 16 29.069 2.479 -0.374 1.00 0.00 N ATOM 26 CA PRO A 16 28.441 3.770 -0.622 1.00 0.00 C ATOM 27 C PRO A 16 26.946 3.621 -0.879 1.00 0.00 C ATOM 28 O PRO A 16 26.510 2.678 -1.549 1.00 0.00 O ATOM 29 CB PRO A 16 29.157 4.278 -1.874 1.00 0.00 C ATOM 30 CG PRO A 16 29.567 3.041 -2.593 1.00 0.00 C ATOM 31 CD PRO A 16 29.866 2.020 -1.527 1.00 0.00 C ATOM 0 HA PRO A 16 28.526 4.448 0.228 1.00 0.00 H new ATOM 0 HB2 PRO A 16 28.498 4.894 -2.486 1.00 0.00 H new ATOM 0 HB3 PRO A 16 30.020 4.893 -1.617 1.00 0.00 H new ATOM 0 HG2 PRO A 16 28.774 2.693 -3.255 1.00 0.00 H new ATOM 0 HG3 PRO A 16 30.443 3.224 -3.215 1.00 0.00 H new ATOM 0 HD2 PRO A 16 29.577 1.017 -1.840 1.00 0.00 H new ATOM 0 HD3 PRO A 16 30.930 1.986 -1.291 1.00 0.00 H new ATOM 39 N GLU A 17 26.168 4.540 -0.342 1.00 0.00 N ATOM 40 CA GLU A 17 24.729 4.514 -0.520 1.00 0.00 C ATOM 41 C GLU A 17 24.359 5.214 -1.817 1.00 0.00 C ATOM 42 O GLU A 17 24.007 6.395 -1.834 1.00 0.00 O ATOM 43 CB GLU A 17 24.020 5.165 0.668 1.00 0.00 C ATOM 44 CG GLU A 17 24.303 4.469 1.990 1.00 0.00 C ATOM 45 CD GLU A 17 23.886 3.012 1.984 1.00 0.00 C ATOM 46 OE1 GLU A 17 24.754 2.137 1.775 1.00 0.00 O ATOM 47 OE2 GLU A 17 22.689 2.730 2.199 1.00 0.00 O ATOM 0 H GLU A 17 26.510 5.317 0.223 1.00 0.00 H new ATOM 0 HA GLU A 17 24.402 3.476 -0.573 1.00 0.00 H new ATOM 0 HB2 GLU A 17 24.329 6.208 0.740 1.00 0.00 H new ATOM 0 HB3 GLU A 17 22.945 5.163 0.487 1.00 0.00 H new ATOM 0 HG2 GLU A 17 25.368 4.537 2.211 1.00 0.00 H new ATOM 0 HG3 GLU A 17 23.777 4.990 2.790 1.00 0.00 H new ATOM 54 N VAL A 18 24.493 4.480 -2.907 1.00 0.00 N ATOM 55 CA VAL A 18 24.223 5.009 -4.232 1.00 0.00 C ATOM 56 C VAL A 18 22.731 4.966 -4.521 1.00 0.00 C ATOM 57 O VAL A 18 22.188 5.831 -5.208 1.00 0.00 O ATOM 58 CB VAL A 18 24.987 4.209 -5.308 1.00 0.00 C ATOM 59 CG1 VAL A 18 24.802 4.826 -6.685 1.00 0.00 C ATOM 60 CG2 VAL A 18 26.462 4.121 -4.949 1.00 0.00 C ATOM 0 H VAL A 18 24.791 3.504 -2.899 1.00 0.00 H new ATOM 0 HA VAL A 18 24.564 6.044 -4.261 1.00 0.00 H new ATOM 0 HB VAL A 18 24.576 3.200 -5.340 1.00 0.00 H new ATOM 0 HG11 VAL A 18 25.352 4.241 -7.423 1.00 0.00 H new ATOM 0 HG12 VAL A 18 23.743 4.831 -6.942 1.00 0.00 H new ATOM 0 HG13 VAL A 18 25.179 5.849 -6.679 1.00 0.00 H new ATOM 0 HG21 VAL A 18 26.990 3.554 -5.716 1.00 0.00 H new ATOM 0 HG22 VAL A 18 26.882 5.125 -4.886 1.00 0.00 H new ATOM 0 HG23 VAL A 18 26.573 3.621 -3.987 1.00 0.00 H new ATOM 70 N GLU A 19 22.071 3.966 -3.967 1.00 0.00 N ATOM 71 CA GLU A 19 20.640 3.806 -4.147 1.00 0.00 C ATOM 72 C GLU A 19 19.892 4.353 -2.940 1.00 0.00 C ATOM 73 O GLU A 19 20.436 4.417 -1.835 1.00 0.00 O ATOM 74 CB GLU A 19 20.292 2.333 -4.366 1.00 0.00 C ATOM 75 CG GLU A 19 20.714 1.429 -3.220 1.00 0.00 C ATOM 76 CD GLU A 19 20.503 -0.037 -3.529 1.00 0.00 C ATOM 77 OE1 GLU A 19 21.187 -0.560 -4.433 1.00 0.00 O ATOM 78 OE2 GLU A 19 19.671 -0.682 -2.857 1.00 0.00 O ATOM 0 H GLU A 19 22.506 3.249 -3.386 1.00 0.00 H new ATOM 0 HA GLU A 19 20.336 4.369 -5.030 1.00 0.00 H new ATOM 0 HB2 GLU A 19 19.216 2.241 -4.512 1.00 0.00 H new ATOM 0 HB3 GLU A 19 20.769 1.989 -5.283 1.00 0.00 H new ATOM 0 HG2 GLU A 19 21.766 1.601 -2.994 1.00 0.00 H new ATOM 0 HG3 GLU A 19 20.149 1.693 -2.326 1.00 0.00 H new ATOM 85 N HIS A 20 18.652 4.747 -3.159 1.00 0.00 N ATOM 86 CA HIS A 20 17.806 5.267 -2.099 1.00 0.00 C ATOM 87 C HIS A 20 16.538 4.422 -2.006 1.00 0.00 C ATOM 88 O HIS A 20 15.445 4.936 -1.783 1.00 0.00 O ATOM 89 CB HIS A 20 17.474 6.752 -2.345 1.00 0.00 C ATOM 90 CG HIS A 20 16.747 7.033 -3.630 1.00 0.00 C ATOM 91 ND1 HIS A 20 17.388 7.293 -4.821 1.00 0.00 N ATOM 92 CD2 HIS A 20 15.424 7.084 -3.902 1.00 0.00 C ATOM 93 CE1 HIS A 20 16.487 7.490 -5.768 1.00 0.00 C ATOM 94 NE2 HIS A 20 15.286 7.368 -5.236 1.00 0.00 N ATOM 0 H HIS A 20 18.203 4.716 -4.074 1.00 0.00 H new ATOM 0 HA HIS A 20 18.337 5.208 -1.149 1.00 0.00 H new ATOM 0 HB2 HIS A 20 16.869 7.116 -1.515 1.00 0.00 H new ATOM 0 HB3 HIS A 20 18.402 7.323 -2.337 1.00 0.00 H new ATOM 0 HD2 HIS A 20 14.621 6.929 -3.196 1.00 0.00 H new ATOM 0 HE1 HIS A 20 16.699 7.713 -6.803 1.00 0.00 H new ATOM 0 HE2 HIS A 20 14.402 7.468 -5.734 1.00 0.00 H new ATOM 103 N THR A 21 16.715 3.114 -2.156 1.00 0.00 N ATOM 104 CA THR A 21 15.612 2.158 -2.197 1.00 0.00 C ATOM 105 C THR A 21 14.697 2.271 -0.970 1.00 0.00 C ATOM 106 O THR A 21 13.489 2.052 -1.067 1.00 0.00 O ATOM 107 CB THR A 21 16.164 0.724 -2.302 1.00 0.00 C ATOM 108 OG1 THR A 21 17.264 0.707 -3.223 1.00 0.00 O ATOM 109 CG2 THR A 21 15.088 -0.242 -2.778 1.00 0.00 C ATOM 0 H THR A 21 17.634 2.683 -2.253 1.00 0.00 H new ATOM 0 HA THR A 21 15.013 2.393 -3.077 1.00 0.00 H new ATOM 0 HB THR A 21 16.497 0.407 -1.314 1.00 0.00 H new ATOM 0 HG1 THR A 21 17.978 0.137 -2.869 1.00 0.00 H new ATOM 0 HG21 THR A 21 15.505 -1.247 -2.843 1.00 0.00 H new ATOM 0 HG22 THR A 21 14.258 -0.238 -2.072 1.00 0.00 H new ATOM 0 HG23 THR A 21 14.730 0.067 -3.760 1.00 0.00 H new ATOM 117 N HIS A 22 15.266 2.636 0.174 1.00 0.00 N ATOM 118 CA HIS A 22 14.476 2.820 1.390 1.00 0.00 C ATOM 119 C HIS A 22 13.553 4.018 1.225 1.00 0.00 C ATOM 120 O HIS A 22 12.396 3.989 1.629 1.00 0.00 O ATOM 121 CB HIS A 22 15.366 3.039 2.618 1.00 0.00 C ATOM 122 CG HIS A 22 16.267 1.886 2.960 1.00 0.00 C ATOM 123 ND1 HIS A 22 16.736 1.655 4.235 1.00 0.00 N ATOM 124 CD2 HIS A 22 16.802 0.910 2.188 1.00 0.00 C ATOM 125 CE1 HIS A 22 17.519 0.591 4.230 1.00 0.00 C ATOM 126 NE2 HIS A 22 17.576 0.119 3.000 1.00 0.00 N ATOM 0 H HIS A 22 16.265 2.810 0.287 1.00 0.00 H new ATOM 0 HA HIS A 22 13.895 1.911 1.547 1.00 0.00 H new ATOM 0 HB2 HIS A 22 15.980 3.924 2.450 1.00 0.00 H new ATOM 0 HB3 HIS A 22 14.729 3.251 3.477 1.00 0.00 H new ATOM 0 HD2 HIS A 22 16.648 0.778 1.127 1.00 0.00 H new ATOM 0 HE1 HIS A 22 18.027 0.177 5.089 1.00 0.00 H new ATOM 0 HE2 HIS A 22 18.107 -0.699 2.701 1.00 0.00 H new ATOM 135 N SER A 23 14.077 5.069 0.616 1.00 0.00 N ATOM 136 CA SER A 23 13.302 6.267 0.350 1.00 0.00 C ATOM 137 C SER A 23 12.268 5.990 -0.742 1.00 0.00 C ATOM 138 O SER A 23 11.192 6.593 -0.763 1.00 0.00 O ATOM 139 CB SER A 23 14.236 7.400 -0.067 1.00 0.00 C ATOM 140 OG SER A 23 15.329 7.508 0.834 1.00 0.00 O ATOM 0 H SER A 23 15.044 5.115 0.295 1.00 0.00 H new ATOM 0 HA SER A 23 12.773 6.565 1.255 1.00 0.00 H new ATOM 0 HB2 SER A 23 14.607 7.219 -1.076 1.00 0.00 H new ATOM 0 HB3 SER A 23 13.686 8.341 -0.093 1.00 0.00 H new ATOM 0 HG SER A 23 15.917 8.238 0.549 1.00 0.00 H new ATOM 146 N GLU A 24 12.602 5.067 -1.643 1.00 0.00 N ATOM 147 CA GLU A 24 11.672 4.634 -2.676 1.00 0.00 C ATOM 148 C GLU A 24 10.481 3.915 -2.060 1.00 0.00 C ATOM 149 O GLU A 24 9.338 4.197 -2.402 1.00 0.00 O ATOM 150 CB GLU A 24 12.360 3.718 -3.691 1.00 0.00 C ATOM 151 CG GLU A 24 13.228 4.457 -4.693 1.00 0.00 C ATOM 152 CD GLU A 24 12.436 5.443 -5.530 1.00 0.00 C ATOM 153 OE1 GLU A 24 12.732 6.652 -5.469 1.00 0.00 O ATOM 154 OE2 GLU A 24 11.507 5.011 -6.246 1.00 0.00 O ATOM 0 H GLU A 24 13.511 4.606 -1.675 1.00 0.00 H new ATOM 0 HA GLU A 24 11.320 5.525 -3.196 1.00 0.00 H new ATOM 0 HB2 GLU A 24 12.975 2.995 -3.155 1.00 0.00 H new ATOM 0 HB3 GLU A 24 11.600 3.153 -4.230 1.00 0.00 H new ATOM 0 HG2 GLU A 24 14.018 4.988 -4.162 1.00 0.00 H new ATOM 0 HG3 GLU A 24 13.714 3.736 -5.350 1.00 0.00 H new ATOM 161 N ARG A 25 10.742 2.993 -1.141 1.00 0.00 N ATOM 162 CA ARG A 25 9.656 2.284 -0.484 1.00 0.00 C ATOM 163 C ARG A 25 8.876 3.243 0.407 1.00 0.00 C ATOM 164 O ARG A 25 7.649 3.173 0.486 1.00 0.00 O ATOM 165 CB ARG A 25 10.163 1.088 0.337 1.00 0.00 C ATOM 166 CG ARG A 25 10.780 1.458 1.674 1.00 0.00 C ATOM 167 CD ARG A 25 10.619 0.339 2.689 1.00 0.00 C ATOM 168 NE ARG A 25 9.211 -0.006 2.895 1.00 0.00 N ATOM 169 CZ ARG A 25 8.526 0.256 4.008 1.00 0.00 C ATOM 170 NH1 ARG A 25 9.073 0.964 4.990 1.00 0.00 N ATOM 171 NH2 ARG A 25 7.275 -0.166 4.117 1.00 0.00 N ATOM 0 H ARG A 25 11.678 2.724 -0.839 1.00 0.00 H new ATOM 0 HA ARG A 25 8.999 1.890 -1.260 1.00 0.00 H new ATOM 0 HB2 ARG A 25 9.332 0.405 0.511 1.00 0.00 H new ATOM 0 HB3 ARG A 25 10.903 0.546 -0.253 1.00 0.00 H new ATOM 0 HG2 ARG A 25 11.839 1.679 1.539 1.00 0.00 H new ATOM 0 HG3 ARG A 25 10.311 2.366 2.054 1.00 0.00 H new ATOM 0 HD2 ARG A 25 11.164 -0.542 2.349 1.00 0.00 H new ATOM 0 HD3 ARG A 25 11.062 0.642 3.638 1.00 0.00 H new ATOM 0 HE ARG A 25 8.721 -0.479 2.135 1.00 0.00 H new ATOM 0 HH11 ARG A 25 10.027 1.313 4.897 1.00 0.00 H new ATOM 0 HH12 ARG A 25 8.539 1.158 5.837 1.00 0.00 H new ATOM 0 HH21 ARG A 25 6.844 -0.687 3.353 1.00 0.00 H new ATOM 0 HH22 ARG A 25 6.743 0.030 4.965 1.00 0.00 H new ATOM 185 N GLU A 26 9.600 4.158 1.052 1.00 0.00 N ATOM 186 CA GLU A 26 8.998 5.120 1.959 1.00 0.00 C ATOM 187 C GLU A 26 7.984 6.005 1.244 1.00 0.00 C ATOM 188 O GLU A 26 6.890 6.238 1.759 1.00 0.00 O ATOM 189 CB GLU A 26 10.093 5.976 2.592 1.00 0.00 C ATOM 190 CG GLU A 26 9.574 7.027 3.552 1.00 0.00 C ATOM 191 CD GLU A 26 10.688 7.831 4.180 1.00 0.00 C ATOM 192 OE1 GLU A 26 10.875 9.002 3.792 1.00 0.00 O ATOM 193 OE2 GLU A 26 11.386 7.291 5.067 1.00 0.00 O ATOM 0 H GLU A 26 10.612 4.249 0.958 1.00 0.00 H new ATOM 0 HA GLU A 26 8.465 4.572 2.736 1.00 0.00 H new ATOM 0 HB2 GLU A 26 10.788 5.325 3.123 1.00 0.00 H new ATOM 0 HB3 GLU A 26 10.658 6.468 1.801 1.00 0.00 H new ATOM 0 HG2 GLU A 26 8.899 7.699 3.022 1.00 0.00 H new ATOM 0 HG3 GLU A 26 8.991 6.543 4.336 1.00 0.00 H new ATOM 200 N LYS A 27 8.337 6.483 0.055 1.00 0.00 N ATOM 201 CA LYS A 27 7.440 7.347 -0.699 1.00 0.00 C ATOM 202 C LYS A 27 6.221 6.562 -1.173 1.00 0.00 C ATOM 203 O LYS A 27 5.120 7.101 -1.232 1.00 0.00 O ATOM 204 CB LYS A 27 8.159 8.008 -1.882 1.00 0.00 C ATOM 205 CG LYS A 27 8.615 7.039 -2.961 1.00 0.00 C ATOM 206 CD LYS A 27 9.403 7.741 -4.057 1.00 0.00 C ATOM 207 CE LYS A 27 8.553 8.762 -4.800 1.00 0.00 C ATOM 208 NZ LYS A 27 9.335 9.482 -5.838 1.00 0.00 N ATOM 0 H LYS A 27 9.228 6.289 -0.402 1.00 0.00 H new ATOM 0 HA LYS A 27 7.104 8.144 -0.035 1.00 0.00 H new ATOM 0 HB2 LYS A 27 7.493 8.745 -2.331 1.00 0.00 H new ATOM 0 HB3 LYS A 27 9.027 8.550 -1.507 1.00 0.00 H new ATOM 0 HG2 LYS A 27 9.232 6.260 -2.513 1.00 0.00 H new ATOM 0 HG3 LYS A 27 7.746 6.546 -3.397 1.00 0.00 H new ATOM 0 HD2 LYS A 27 10.269 8.238 -3.620 1.00 0.00 H new ATOM 0 HD3 LYS A 27 9.782 7.002 -4.762 1.00 0.00 H new ATOM 0 HE2 LYS A 27 7.706 8.259 -5.267 1.00 0.00 H new ATOM 0 HE3 LYS A 27 8.144 9.481 -4.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 8.721 10.168 -6.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 10.128 9.983 -5.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 9.704 8.799 -6.531 1.00 0.00 H new ATOM 222 N ARG A 28 6.417 5.283 -1.479 1.00 0.00 N ATOM 223 CA ARG A 28 5.315 4.426 -1.905 1.00 0.00 C ATOM 224 C ARG A 28 4.288 4.284 -0.790 1.00 0.00 C ATOM 225 O ARG A 28 3.083 4.405 -1.021 1.00 0.00 O ATOM 226 CB ARG A 28 5.813 3.039 -2.302 1.00 0.00 C ATOM 227 CG ARG A 28 6.766 3.029 -3.481 1.00 0.00 C ATOM 228 CD ARG A 28 7.098 1.607 -3.902 1.00 0.00 C ATOM 229 NE ARG A 28 7.551 0.787 -2.776 1.00 0.00 N ATOM 230 CZ ARG A 28 8.388 -0.245 -2.892 1.00 0.00 C ATOM 231 NH1 ARG A 28 8.915 -0.552 -4.070 1.00 0.00 N ATOM 232 NH2 ARG A 28 8.706 -0.968 -1.825 1.00 0.00 N ATOM 0 H ARG A 28 7.324 4.819 -1.440 1.00 0.00 H new ATOM 0 HA ARG A 28 4.853 4.897 -2.773 1.00 0.00 H new ATOM 0 HB2 ARG A 28 6.311 2.586 -1.445 1.00 0.00 H new ATOM 0 HB3 ARG A 28 4.954 2.412 -2.540 1.00 0.00 H new ATOM 0 HG2 ARG A 28 6.319 3.565 -4.319 1.00 0.00 H new ATOM 0 HG3 ARG A 28 7.682 3.557 -3.217 1.00 0.00 H new ATOM 0 HD2 ARG A 28 6.217 1.148 -4.352 1.00 0.00 H new ATOM 0 HD3 ARG A 28 7.873 1.629 -4.668 1.00 0.00 H new ATOM 0 HE ARG A 28 7.205 1.020 -1.845 1.00 0.00 H new ATOM 0 HH11 ARG A 28 8.681 0.002 -4.894 1.00 0.00 H new ATOM 0 HH12 ARG A 28 9.554 -1.342 -4.152 1.00 0.00 H new ATOM 0 HH21 ARG A 28 8.310 -0.735 -0.914 1.00 0.00 H new ATOM 0 HH22 ARG A 28 9.346 -1.757 -1.916 1.00 0.00 H new ATOM 246 N VAL A 29 4.773 4.027 0.419 1.00 0.00 N ATOM 247 CA VAL A 29 3.899 3.864 1.570 1.00 0.00 C ATOM 248 C VAL A 29 3.115 5.142 1.832 1.00 0.00 C ATOM 249 O VAL A 29 1.900 5.101 2.003 1.00 0.00 O ATOM 250 CB VAL A 29 4.689 3.468 2.839 1.00 0.00 C ATOM 251 CG1 VAL A 29 3.763 3.341 4.042 1.00 0.00 C ATOM 252 CG2 VAL A 29 5.441 2.166 2.613 1.00 0.00 C ATOM 0 H VAL A 29 5.767 3.927 0.626 1.00 0.00 H new ATOM 0 HA VAL A 29 3.206 3.056 1.336 1.00 0.00 H new ATOM 0 HB VAL A 29 5.410 4.258 3.047 1.00 0.00 H new ATOM 0 HG11 VAL A 29 4.344 3.062 4.921 1.00 0.00 H new ATOM 0 HG12 VAL A 29 3.268 4.295 4.223 1.00 0.00 H new ATOM 0 HG13 VAL A 29 3.013 2.575 3.845 1.00 0.00 H new ATOM 0 HG21 VAL A 29 5.991 1.902 3.516 1.00 0.00 H new ATOM 0 HG22 VAL A 29 4.732 1.373 2.376 1.00 0.00 H new ATOM 0 HG23 VAL A 29 6.139 2.288 1.785 1.00 0.00 H new ATOM 262 N SER A 30 3.801 6.280 1.820 1.00 0.00 N ATOM 263 CA SER A 30 3.145 7.561 2.053 1.00 0.00 C ATOM 264 C SER A 30 2.095 7.854 0.981 1.00 0.00 C ATOM 265 O SER A 30 1.021 8.372 1.285 1.00 0.00 O ATOM 266 CB SER A 30 4.178 8.685 2.121 1.00 0.00 C ATOM 267 OG SER A 30 5.198 8.508 1.156 1.00 0.00 O ATOM 0 H SER A 30 4.805 6.342 1.652 1.00 0.00 H new ATOM 0 HA SER A 30 2.629 7.504 3.012 1.00 0.00 H new ATOM 0 HB2 SER A 30 3.686 9.644 1.960 1.00 0.00 H new ATOM 0 HB3 SER A 30 4.619 8.716 3.117 1.00 0.00 H new ATOM 0 HG SER A 30 4.837 8.024 0.384 1.00 0.00 H new ATOM 273 N ASN A 31 2.401 7.497 -0.265 1.00 0.00 N ATOM 274 CA ASN A 31 1.453 7.661 -1.367 1.00 0.00 C ATOM 275 C ASN A 31 0.197 6.840 -1.112 1.00 0.00 C ATOM 276 O ASN A 31 -0.920 7.290 -1.360 1.00 0.00 O ATOM 277 CB ASN A 31 2.066 7.213 -2.700 1.00 0.00 C ATOM 278 CG ASN A 31 3.195 8.099 -3.179 1.00 0.00 C ATOM 279 OD1 ASN A 31 3.251 9.287 -2.869 1.00 0.00 O ATOM 280 ND2 ASN A 31 4.107 7.529 -3.951 1.00 0.00 N ATOM 0 H ASN A 31 3.297 7.093 -0.537 1.00 0.00 H new ATOM 0 HA ASN A 31 1.203 8.720 -1.425 1.00 0.00 H new ATOM 0 HB2 ASN A 31 2.436 6.193 -2.595 1.00 0.00 H new ATOM 0 HB3 ASN A 31 1.285 7.192 -3.460 1.00 0.00 H new ATOM 0 HD21 ASN A 31 4.888 8.079 -4.309 1.00 0.00 H new ATOM 0 HD22 ASN A 31 4.029 6.540 -4.188 1.00 0.00 H new ATOM 287 N ALA A 32 0.392 5.636 -0.610 1.00 0.00 N ATOM 288 CA ALA A 32 -0.713 4.736 -0.333 1.00 0.00 C ATOM 289 C ALA A 32 -1.513 5.206 0.867 1.00 0.00 C ATOM 290 O ALA A 32 -2.737 5.235 0.825 1.00 0.00 O ATOM 291 CB ALA A 32 -0.196 3.329 -0.110 1.00 0.00 C ATOM 0 H ALA A 32 1.311 5.256 -0.384 1.00 0.00 H new ATOM 0 HA ALA A 32 -1.378 4.734 -1.197 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -1.033 2.662 0.097 1.00 0.00 H new ATOM 0 HB2 ALA A 32 0.327 2.988 -1.003 1.00 0.00 H new ATOM 0 HB3 ALA A 32 0.490 3.323 0.737 1.00 0.00 H new ATOM 297 N VAL A 33 -0.819 5.598 1.921 1.00 0.00 N ATOM 298 CA VAL A 33 -1.474 6.054 3.137 1.00 0.00 C ATOM 299 C VAL A 33 -2.323 7.293 2.862 1.00 0.00 C ATOM 300 O VAL A 33 -3.452 7.401 3.339 1.00 0.00 O ATOM 301 CB VAL A 33 -0.441 6.353 4.248 1.00 0.00 C ATOM 302 CG1 VAL A 33 -1.115 6.884 5.504 1.00 0.00 C ATOM 303 CG2 VAL A 33 0.359 5.102 4.573 1.00 0.00 C ATOM 0 H VAL A 33 0.200 5.610 1.960 1.00 0.00 H new ATOM 0 HA VAL A 33 -2.126 5.252 3.482 1.00 0.00 H new ATOM 0 HB VAL A 33 0.235 7.124 3.877 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.361 7.084 6.265 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.647 7.806 5.269 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -1.821 6.143 5.879 1.00 0.00 H new ATOM 0 HG21 VAL A 33 1.083 5.326 5.357 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.316 4.318 4.916 1.00 0.00 H new ATOM 0 HG23 VAL A 33 0.884 4.764 3.680 1.00 0.00 H new ATOM 313 N GLU A 34 -1.790 8.218 2.070 1.00 0.00 N ATOM 314 CA GLU A 34 -2.517 9.434 1.738 1.00 0.00 C ATOM 315 C GLU A 34 -3.711 9.124 0.829 1.00 0.00 C ATOM 316 O GLU A 34 -4.770 9.740 0.952 1.00 0.00 O ATOM 317 CB GLU A 34 -1.585 10.466 1.089 1.00 0.00 C ATOM 318 CG GLU A 34 -1.247 10.190 -0.363 1.00 0.00 C ATOM 319 CD GLU A 34 -0.412 11.290 -0.976 1.00 0.00 C ATOM 320 OE1 GLU A 34 -0.990 12.314 -1.398 1.00 0.00 O ATOM 321 OE2 GLU A 34 0.824 11.146 -1.036 1.00 0.00 O ATOM 0 H GLU A 34 -0.863 8.148 1.650 1.00 0.00 H new ATOM 0 HA GLU A 34 -2.902 9.863 2.663 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -2.049 11.450 1.159 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -0.659 10.509 1.662 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -0.709 9.245 -0.435 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -2.169 10.076 -0.933 1.00 0.00 H new ATOM 328 N PHE A 35 -3.534 8.158 -0.070 1.00 0.00 N ATOM 329 CA PHE A 35 -4.590 7.763 -0.996 1.00 0.00 C ATOM 330 C PHE A 35 -5.694 7.004 -0.269 1.00 0.00 C ATOM 331 O PHE A 35 -6.876 7.269 -0.466 1.00 0.00 O ATOM 332 CB PHE A 35 -3.991 6.898 -2.114 1.00 0.00 C ATOM 333 CG PHE A 35 -5.004 6.227 -3.000 1.00 0.00 C ATOM 334 CD1 PHE A 35 -5.242 4.866 -2.889 1.00 0.00 C ATOM 335 CD2 PHE A 35 -5.713 6.951 -3.945 1.00 0.00 C ATOM 336 CE1 PHE A 35 -6.168 4.240 -3.701 1.00 0.00 C ATOM 337 CE2 PHE A 35 -6.641 6.331 -4.760 1.00 0.00 C ATOM 338 CZ PHE A 35 -6.867 4.974 -4.639 1.00 0.00 C ATOM 0 H PHE A 35 -2.666 7.634 -0.176 1.00 0.00 H new ATOM 0 HA PHE A 35 -5.032 8.660 -1.431 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -3.345 7.522 -2.731 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -3.359 6.133 -1.664 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -4.696 4.287 -2.158 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -5.538 8.012 -4.046 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -6.345 3.179 -3.602 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -7.189 6.907 -5.491 1.00 0.00 H new ATOM 0 HZ PHE A 35 -7.590 4.487 -5.277 1.00 0.00 H new ATOM 348 N LEU A 36 -5.295 6.092 0.602 1.00 0.00 N ATOM 349 CA LEU A 36 -6.232 5.269 1.353 1.00 0.00 C ATOM 350 C LEU A 36 -7.064 6.107 2.319 1.00 0.00 C ATOM 351 O LEU A 36 -8.210 5.771 2.618 1.00 0.00 O ATOM 352 CB LEU A 36 -5.479 4.171 2.103 1.00 0.00 C ATOM 353 CG LEU A 36 -4.840 3.095 1.225 1.00 0.00 C ATOM 354 CD1 LEU A 36 -4.073 2.103 2.080 1.00 0.00 C ATOM 355 CD2 LEU A 36 -5.893 2.380 0.396 1.00 0.00 C ATOM 0 H LEU A 36 -4.315 5.901 0.809 1.00 0.00 H new ATOM 0 HA LEU A 36 -6.920 4.808 0.645 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -4.698 4.636 2.705 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -6.169 3.688 2.795 1.00 0.00 H new ATOM 0 HG LEU A 36 -4.142 3.580 0.543 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -3.624 1.343 1.441 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -3.289 2.625 2.629 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -4.754 1.627 2.785 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -5.415 1.619 -0.221 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -6.619 1.908 1.058 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -6.402 3.100 -0.245 1.00 0.00 H new ATOM 367 N LEU A 37 -6.486 7.200 2.802 1.00 0.00 N ATOM 368 CA LEU A 37 -7.146 8.040 3.796 1.00 0.00 C ATOM 369 C LEU A 37 -8.083 9.062 3.166 1.00 0.00 C ATOM 370 O LEU A 37 -8.635 9.915 3.864 1.00 0.00 O ATOM 371 CB LEU A 37 -6.108 8.768 4.648 1.00 0.00 C ATOM 372 CG LEU A 37 -5.675 8.028 5.908 1.00 0.00 C ATOM 373 CD1 LEU A 37 -4.531 8.759 6.593 1.00 0.00 C ATOM 374 CD2 LEU A 37 -6.858 7.879 6.851 1.00 0.00 C ATOM 0 H LEU A 37 -5.561 7.526 2.522 1.00 0.00 H new ATOM 0 HA LEU A 37 -7.745 7.376 4.419 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -5.227 8.959 4.036 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -6.512 9.739 4.936 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.321 7.036 5.629 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -4.237 8.215 7.490 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -3.682 8.824 5.913 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -4.854 9.763 6.867 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -6.542 7.349 7.750 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -7.232 8.866 7.124 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -7.649 7.315 6.356 1.00 0.00 H new ATOM 386 N ASP A 38 -8.279 8.981 1.863 1.00 0.00 N ATOM 387 CA ASP A 38 -9.197 9.889 1.191 1.00 0.00 C ATOM 388 C ASP A 38 -10.634 9.430 1.388 1.00 0.00 C ATOM 389 O ASP A 38 -10.920 8.240 1.314 1.00 0.00 O ATOM 390 CB ASP A 38 -8.890 9.989 -0.300 1.00 0.00 C ATOM 391 CG ASP A 38 -9.846 10.923 -1.014 1.00 0.00 C ATOM 392 OD1 ASP A 38 -9.637 12.153 -0.959 1.00 0.00 O ATOM 393 OD2 ASP A 38 -10.816 10.434 -1.624 1.00 0.00 O ATOM 0 H ASP A 38 -7.822 8.304 1.252 1.00 0.00 H new ATOM 0 HA ASP A 38 -9.068 10.876 1.634 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -7.868 10.342 -0.437 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -8.948 8.998 -0.750 1.00 0.00 H new ATOM 398 N SER A 39 -11.531 10.376 1.634 1.00 0.00 N ATOM 399 CA SER A 39 -12.927 10.063 1.914 1.00 0.00 C ATOM 400 C SER A 39 -13.573 9.253 0.785 1.00 0.00 C ATOM 401 O SER A 39 -14.315 8.309 1.047 1.00 0.00 O ATOM 402 CB SER A 39 -13.707 11.353 2.150 1.00 0.00 C ATOM 403 OG SER A 39 -13.108 12.127 3.175 1.00 0.00 O ATOM 0 H SER A 39 -11.315 11.373 1.645 1.00 0.00 H new ATOM 0 HA SER A 39 -12.956 9.446 2.812 1.00 0.00 H new ATOM 0 HB2 SER A 39 -13.747 11.932 1.228 1.00 0.00 H new ATOM 0 HB3 SER A 39 -14.736 11.116 2.422 1.00 0.00 H new ATOM 0 HG SER A 39 -13.624 12.950 3.308 1.00 0.00 H new ATOM 409 N ARG A 40 -13.287 9.612 -0.465 1.00 0.00 N ATOM 410 CA ARG A 40 -13.850 8.890 -1.603 1.00 0.00 C ATOM 411 C ARG A 40 -13.256 7.491 -1.684 1.00 0.00 C ATOM 412 O ARG A 40 -13.953 6.520 -1.986 1.00 0.00 O ATOM 413 CB ARG A 40 -13.601 9.634 -2.916 1.00 0.00 C ATOM 414 CG ARG A 40 -14.311 10.977 -3.025 1.00 0.00 C ATOM 415 CD ARG A 40 -15.818 10.841 -2.872 1.00 0.00 C ATOM 416 NE ARG A 40 -16.238 10.877 -1.470 1.00 0.00 N ATOM 417 CZ ARG A 40 -17.367 10.341 -1.009 1.00 0.00 C ATOM 418 NH1 ARG A 40 -18.174 9.676 -1.827 1.00 0.00 N ATOM 419 NH2 ARG A 40 -17.690 10.473 0.273 1.00 0.00 N ATOM 0 H ARG A 40 -12.676 10.390 -0.714 1.00 0.00 H new ATOM 0 HA ARG A 40 -14.927 8.819 -1.451 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -12.529 9.794 -3.031 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -13.919 9.001 -3.744 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -13.929 11.652 -2.259 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -14.084 11.429 -3.991 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -16.311 11.646 -3.418 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -16.144 9.904 -3.323 1.00 0.00 H new ATOM 0 HE ARG A 40 -15.625 11.344 -0.801 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -17.930 9.574 -2.812 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -19.038 9.267 -1.470 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -17.073 10.985 0.904 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -18.555 10.063 0.626 1.00 0.00 H new ATOM 433 N VAL A 41 -11.968 7.395 -1.392 1.00 0.00 N ATOM 434 CA VAL A 41 -11.271 6.118 -1.409 1.00 0.00 C ATOM 435 C VAL A 41 -11.709 5.257 -0.226 1.00 0.00 C ATOM 436 O VAL A 41 -11.642 4.036 -0.270 1.00 0.00 O ATOM 437 CB VAL A 41 -9.742 6.311 -1.393 1.00 0.00 C ATOM 438 CG1 VAL A 41 -9.018 4.973 -1.447 1.00 0.00 C ATOM 439 CG2 VAL A 41 -9.313 7.194 -2.557 1.00 0.00 C ATOM 0 H VAL A 41 -11.382 8.190 -1.139 1.00 0.00 H new ATOM 0 HA VAL A 41 -11.534 5.607 -2.335 1.00 0.00 H new ATOM 0 HB VAL A 41 -9.471 6.801 -0.458 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -7.941 5.141 -1.434 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -9.301 4.371 -0.584 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -9.292 4.447 -2.362 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -8.231 7.324 -2.536 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -9.604 6.724 -3.497 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -9.797 8.167 -2.473 1.00 0.00 H new ATOM 449 N ARG A 42 -12.171 5.895 0.832 1.00 0.00 N ATOM 450 CA ARG A 42 -12.759 5.171 1.955 1.00 0.00 C ATOM 451 C ARG A 42 -14.140 4.618 1.586 1.00 0.00 C ATOM 452 O ARG A 42 -14.637 3.686 2.219 1.00 0.00 O ATOM 453 CB ARG A 42 -12.857 6.066 3.191 1.00 0.00 C ATOM 454 CG ARG A 42 -11.502 6.479 3.745 1.00 0.00 C ATOM 455 CD ARG A 42 -11.642 7.341 4.988 1.00 0.00 C ATOM 456 NE ARG A 42 -12.240 6.606 6.101 1.00 0.00 N ATOM 457 CZ ARG A 42 -12.306 7.067 7.350 1.00 0.00 C ATOM 458 NH1 ARG A 42 -11.842 8.279 7.641 1.00 0.00 N ATOM 459 NH2 ARG A 42 -12.845 6.318 8.305 1.00 0.00 N ATOM 0 H ARG A 42 -12.153 6.909 0.943 1.00 0.00 H new ATOM 0 HA ARG A 42 -12.104 4.332 2.190 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -13.426 6.961 2.939 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -13.414 5.542 3.967 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -10.920 5.589 3.983 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -10.949 7.027 2.982 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -10.661 7.712 5.284 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -12.256 8.212 4.758 1.00 0.00 H new ATOM 0 HE ARG A 42 -12.631 5.683 5.910 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -11.434 8.859 6.907 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -11.894 8.629 8.598 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -13.208 5.391 8.082 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -12.896 6.670 9.261 1.00 0.00 H new ATOM 473 N ARG A 43 -14.753 5.197 0.557 1.00 0.00 N ATOM 474 CA ARG A 43 -16.096 4.800 0.134 1.00 0.00 C ATOM 475 C ARG A 43 -16.053 3.791 -1.014 1.00 0.00 C ATOM 476 O ARG A 43 -17.076 3.499 -1.637 1.00 0.00 O ATOM 477 CB ARG A 43 -16.897 6.034 -0.289 1.00 0.00 C ATOM 478 CG ARG A 43 -17.136 7.020 0.842 1.00 0.00 C ATOM 479 CD ARG A 43 -17.994 6.413 1.938 1.00 0.00 C ATOM 480 NE ARG A 43 -19.335 6.086 1.460 1.00 0.00 N ATOM 481 CZ ARG A 43 -20.170 5.257 2.081 1.00 0.00 C ATOM 482 NH1 ARG A 43 -19.775 4.593 3.162 1.00 0.00 N ATOM 483 NH2 ARG A 43 -21.395 5.077 1.606 1.00 0.00 N ATOM 0 H ARG A 43 -14.341 5.945 -0.001 1.00 0.00 H new ATOM 0 HA ARG A 43 -16.582 4.320 0.983 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -16.368 6.541 -1.096 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -17.859 5.713 -0.690 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -16.180 7.335 1.260 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -17.623 7.913 0.450 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -17.514 5.511 2.318 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -18.066 7.111 2.772 1.00 0.00 H new ATOM 0 HE ARG A 43 -19.652 6.522 0.594 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -18.828 4.718 3.519 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -20.419 3.959 3.635 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -21.695 5.573 0.767 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -22.038 4.442 2.080 1.00 0.00 H new ATOM 497 N THR A 44 -14.873 3.271 -1.297 1.00 0.00 N ATOM 498 CA THR A 44 -14.701 2.270 -2.343 1.00 0.00 C ATOM 499 C THR A 44 -14.369 0.904 -1.735 1.00 0.00 C ATOM 500 O THR A 44 -14.048 0.820 -0.546 1.00 0.00 O ATOM 501 CB THR A 44 -13.566 2.686 -3.294 1.00 0.00 C ATOM 502 OG1 THR A 44 -12.819 3.756 -2.709 1.00 0.00 O ATOM 503 CG2 THR A 44 -14.099 3.121 -4.650 1.00 0.00 C ATOM 0 H THR A 44 -14.011 3.525 -0.815 1.00 0.00 H new ATOM 0 HA THR A 44 -15.636 2.197 -2.898 1.00 0.00 H new ATOM 0 HB THR A 44 -12.923 1.819 -3.448 1.00 0.00 H new ATOM 0 HG1 THR A 44 -13.362 4.572 -2.709 1.00 0.00 H new ATOM 0 HG21 THR A 44 -13.267 3.407 -5.293 1.00 0.00 H new ATOM 0 HG22 THR A 44 -14.645 2.296 -5.108 1.00 0.00 H new ATOM 0 HG23 THR A 44 -14.768 3.972 -4.522 1.00 0.00 H new ATOM 511 N PRO A 45 -14.417 -0.182 -2.531 1.00 0.00 N ATOM 512 CA PRO A 45 -14.020 -1.515 -2.067 1.00 0.00 C ATOM 513 C PRO A 45 -12.509 -1.616 -1.864 1.00 0.00 C ATOM 514 O PRO A 45 -11.741 -0.859 -2.467 1.00 0.00 O ATOM 515 CB PRO A 45 -14.467 -2.438 -3.203 1.00 0.00 C ATOM 516 CG PRO A 45 -14.454 -1.572 -4.409 1.00 0.00 C ATOM 517 CD PRO A 45 -14.872 -0.210 -3.934 1.00 0.00 C ATOM 0 HA PRO A 45 -14.464 -1.765 -1.103 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -13.791 -3.286 -3.315 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -15.461 -2.845 -3.017 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -13.462 -1.542 -4.859 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -15.138 -1.949 -5.169 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -14.407 0.581 -4.523 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -15.951 -0.072 -4.009 1.00 0.00 H new ATOM 525 N THR A 46 -12.090 -2.546 -1.021 1.00 0.00 N ATOM 526 CA THR A 46 -10.682 -2.710 -0.689 1.00 0.00 C ATOM 527 C THR A 46 -9.886 -3.196 -1.898 1.00 0.00 C ATOM 528 O THR A 46 -8.728 -2.818 -2.087 1.00 0.00 O ATOM 529 CB THR A 46 -10.512 -3.720 0.455 1.00 0.00 C ATOM 530 OG1 THR A 46 -11.723 -3.788 1.223 1.00 0.00 O ATOM 531 CG2 THR A 46 -9.363 -3.321 1.365 1.00 0.00 C ATOM 0 H THR A 46 -12.710 -3.205 -0.550 1.00 0.00 H new ATOM 0 HA THR A 46 -10.304 -1.736 -0.379 1.00 0.00 H new ATOM 0 HB THR A 46 -10.291 -4.695 0.021 1.00 0.00 H new ATOM 0 HG1 THR A 46 -11.613 -4.434 1.951 1.00 0.00 H new ATOM 0 HG21 THR A 46 -9.263 -4.052 2.167 1.00 0.00 H new ATOM 0 HG22 THR A 46 -8.438 -3.286 0.789 1.00 0.00 H new ATOM 0 HG23 THR A 46 -9.562 -2.338 1.793 1.00 0.00 H new ATOM 539 N SER A 47 -10.528 -4.015 -2.721 1.00 0.00 N ATOM 540 CA SER A 47 -9.887 -4.619 -3.878 1.00 0.00 C ATOM 541 C SER A 47 -9.340 -3.561 -4.830 1.00 0.00 C ATOM 542 O SER A 47 -8.221 -3.681 -5.333 1.00 0.00 O ATOM 543 CB SER A 47 -10.887 -5.520 -4.599 1.00 0.00 C ATOM 544 OG SER A 47 -12.129 -4.857 -4.772 1.00 0.00 O ATOM 0 H SER A 47 -11.507 -4.278 -2.604 1.00 0.00 H new ATOM 0 HA SER A 47 -9.042 -5.214 -3.533 1.00 0.00 H new ATOM 0 HB2 SER A 47 -10.487 -5.811 -5.570 1.00 0.00 H new ATOM 0 HB3 SER A 47 -11.035 -6.436 -4.028 1.00 0.00 H new ATOM 0 HG SER A 47 -12.755 -5.451 -5.237 1.00 0.00 H new ATOM 550 N SER A 48 -10.123 -2.516 -5.044 1.00 0.00 N ATOM 551 CA SER A 48 -9.745 -1.438 -5.927 1.00 0.00 C ATOM 552 C SER A 48 -8.482 -0.748 -5.431 1.00 0.00 C ATOM 553 O SER A 48 -7.580 -0.434 -6.206 1.00 0.00 O ATOM 554 CB SER A 48 -10.891 -0.443 -5.998 1.00 0.00 C ATOM 555 OG SER A 48 -12.051 -1.039 -6.557 1.00 0.00 O ATOM 0 H SER A 48 -11.037 -2.396 -4.608 1.00 0.00 H new ATOM 0 HA SER A 48 -9.538 -1.840 -6.918 1.00 0.00 H new ATOM 0 HB2 SER A 48 -11.116 -0.070 -4.999 1.00 0.00 H new ATOM 0 HB3 SER A 48 -10.594 0.416 -6.599 1.00 0.00 H new ATOM 0 HG SER A 48 -12.774 -0.379 -6.590 1.00 0.00 H new ATOM 561 N LYS A 49 -8.428 -0.534 -4.128 1.00 0.00 N ATOM 562 CA LYS A 49 -7.309 0.150 -3.499 1.00 0.00 C ATOM 563 C LYS A 49 -6.030 -0.651 -3.665 1.00 0.00 C ATOM 564 O LYS A 49 -4.996 -0.120 -4.061 1.00 0.00 O ATOM 565 CB LYS A 49 -7.594 0.337 -2.016 1.00 0.00 C ATOM 566 CG LYS A 49 -8.990 0.841 -1.743 1.00 0.00 C ATOM 567 CD LYS A 49 -9.252 1.038 -0.265 1.00 0.00 C ATOM 568 CE LYS A 49 -10.743 1.039 0.007 1.00 0.00 C ATOM 569 NZ LYS A 49 -11.498 1.636 -1.117 1.00 0.00 N ATOM 0 H LYS A 49 -9.156 -0.828 -3.477 1.00 0.00 H new ATOM 0 HA LYS A 49 -7.182 1.120 -3.979 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -7.449 -0.613 -1.501 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -6.872 1.039 -1.599 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -9.141 1.786 -2.265 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -9.714 0.134 -2.147 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -8.771 0.244 0.306 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -8.814 1.979 0.067 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -11.084 0.017 0.174 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -10.947 1.597 0.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -12.466 1.855 -0.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -11.027 2.510 -1.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -11.532 0.963 -1.909 1.00 0.00 H new ATOM 583 N VAL A 50 -6.125 -1.941 -3.380 1.00 0.00 N ATOM 584 CA VAL A 50 -4.959 -2.816 -3.409 1.00 0.00 C ATOM 585 C VAL A 50 -4.389 -2.909 -4.819 1.00 0.00 C ATOM 586 O VAL A 50 -3.177 -2.820 -5.021 1.00 0.00 O ATOM 587 CB VAL A 50 -5.301 -4.232 -2.900 1.00 0.00 C ATOM 588 CG1 VAL A 50 -4.080 -5.135 -2.948 1.00 0.00 C ATOM 589 CG2 VAL A 50 -5.859 -4.172 -1.487 1.00 0.00 C ATOM 0 H VAL A 50 -6.996 -2.407 -3.126 1.00 0.00 H new ATOM 0 HA VAL A 50 -4.213 -2.379 -2.745 1.00 0.00 H new ATOM 0 HB VAL A 50 -6.063 -4.652 -3.557 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -4.347 -6.127 -2.584 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -3.722 -5.209 -3.975 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -3.294 -4.717 -2.319 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -6.094 -5.180 -1.146 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.119 -3.727 -0.822 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -6.765 -3.566 -1.479 1.00 0.00 H new ATOM 599 N HIS A 51 -5.274 -3.071 -5.792 1.00 0.00 N ATOM 600 CA HIS A 51 -4.867 -3.173 -7.189 1.00 0.00 C ATOM 601 C HIS A 51 -4.242 -1.867 -7.666 1.00 0.00 C ATOM 602 O HIS A 51 -3.240 -1.874 -8.383 1.00 0.00 O ATOM 603 CB HIS A 51 -6.062 -3.548 -8.068 1.00 0.00 C ATOM 604 CG HIS A 51 -6.518 -4.968 -7.901 1.00 0.00 C ATOM 605 ND1 HIS A 51 -7.034 -5.719 -8.935 1.00 0.00 N ATOM 606 CD2 HIS A 51 -6.544 -5.772 -6.810 1.00 0.00 C ATOM 607 CE1 HIS A 51 -7.357 -6.918 -8.487 1.00 0.00 C ATOM 608 NE2 HIS A 51 -7.069 -6.975 -7.204 1.00 0.00 N ATOM 0 H HIS A 51 -6.281 -3.135 -5.641 1.00 0.00 H new ATOM 0 HA HIS A 51 -4.117 -3.960 -7.270 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -6.893 -2.881 -7.839 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -5.799 -3.382 -9.113 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -6.213 -5.513 -5.815 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -7.785 -7.717 -9.074 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -7.213 -7.784 -6.600 1.00 0.00 H new ATOM 617 N PHE A 52 -4.831 -0.752 -7.249 1.00 0.00 N ATOM 618 CA PHE A 52 -4.323 0.570 -7.604 1.00 0.00 C ATOM 619 C PHE A 52 -2.919 0.774 -7.042 1.00 0.00 C ATOM 620 O PHE A 52 -2.011 1.215 -7.749 1.00 0.00 O ATOM 621 CB PHE A 52 -5.267 1.656 -7.072 1.00 0.00 C ATOM 622 CG PHE A 52 -4.821 3.063 -7.366 1.00 0.00 C ATOM 623 CD1 PHE A 52 -4.011 3.751 -6.476 1.00 0.00 C ATOM 624 CD2 PHE A 52 -5.217 3.699 -8.530 1.00 0.00 C ATOM 625 CE1 PHE A 52 -3.607 5.042 -6.740 1.00 0.00 C ATOM 626 CE2 PHE A 52 -4.814 4.993 -8.801 1.00 0.00 C ATOM 627 CZ PHE A 52 -4.008 5.665 -7.903 1.00 0.00 C ATOM 0 H PHE A 52 -5.665 -0.737 -6.662 1.00 0.00 H new ATOM 0 HA PHE A 52 -4.274 0.642 -8.690 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -6.257 1.504 -7.503 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -5.367 1.537 -5.993 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -3.692 3.269 -5.564 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -5.848 3.178 -9.235 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -2.977 5.565 -6.036 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -5.129 5.478 -9.713 1.00 0.00 H new ATOM 0 HZ PHE A 52 -3.692 6.677 -8.111 1.00 0.00 H new ATOM 637 N LEU A 53 -2.748 0.441 -5.770 1.00 0.00 N ATOM 638 CA LEU A 53 -1.467 0.613 -5.102 1.00 0.00 C ATOM 639 C LEU A 53 -0.402 -0.284 -5.724 1.00 0.00 C ATOM 640 O LEU A 53 0.758 0.110 -5.848 1.00 0.00 O ATOM 641 CB LEU A 53 -1.604 0.326 -3.606 1.00 0.00 C ATOM 642 CG LEU A 53 -2.560 1.255 -2.857 1.00 0.00 C ATOM 643 CD1 LEU A 53 -2.624 0.885 -1.385 1.00 0.00 C ATOM 644 CD2 LEU A 53 -2.140 2.708 -3.028 1.00 0.00 C ATOM 0 H LEU A 53 -3.482 0.050 -5.180 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.152 1.649 -5.231 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -1.944 -0.702 -3.478 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -0.618 0.395 -3.146 1.00 0.00 H new ATOM 0 HG LEU A 53 -3.556 1.135 -3.282 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -3.310 1.558 -0.870 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -2.978 -0.141 -1.283 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -1.631 0.972 -0.944 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -2.833 3.353 -2.488 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -1.133 2.845 -2.633 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -2.153 2.968 -4.086 1.00 0.00 H new ATOM 656 N LYS A 54 -0.800 -1.483 -6.131 1.00 0.00 N ATOM 657 CA LYS A 54 0.101 -2.390 -6.802 1.00 0.00 C ATOM 658 C LYS A 54 0.543 -1.802 -8.140 1.00 0.00 C ATOM 659 O LYS A 54 1.700 -1.938 -8.540 1.00 0.00 O ATOM 660 CB LYS A 54 -0.591 -3.725 -7.020 1.00 0.00 C ATOM 661 CG LYS A 54 0.276 -4.736 -7.730 1.00 0.00 C ATOM 662 CD LYS A 54 -0.510 -5.970 -8.098 1.00 0.00 C ATOM 663 CE LYS A 54 0.262 -6.818 -9.076 1.00 0.00 C ATOM 664 NZ LYS A 54 -0.521 -7.993 -9.534 1.00 0.00 N ATOM 0 H LYS A 54 -1.746 -1.844 -6.004 1.00 0.00 H new ATOM 0 HA LYS A 54 0.984 -2.541 -6.181 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -0.895 -4.131 -6.055 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -1.500 -3.565 -7.600 1.00 0.00 H new ATOM 0 HG2 LYS A 54 0.697 -4.289 -8.630 1.00 0.00 H new ATOM 0 HG3 LYS A 54 1.114 -5.013 -7.090 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -0.730 -6.549 -7.201 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -1.467 -5.682 -8.534 1.00 0.00 H new ATOM 0 HE2 LYS A 54 0.544 -6.212 -9.937 1.00 0.00 H new ATOM 0 HE3 LYS A 54 1.187 -7.158 -8.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 0.047 -8.549 -10.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -0.768 -8.586 -8.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -1.391 -7.669 -10.002 1.00 0.00 H new ATOM 678 N SER A 55 -0.387 -1.138 -8.822 1.00 0.00 N ATOM 679 CA SER A 55 -0.091 -0.484 -10.089 1.00 0.00 C ATOM 680 C SER A 55 0.871 0.681 -9.865 1.00 0.00 C ATOM 681 O SER A 55 1.632 1.061 -10.758 1.00 0.00 O ATOM 682 CB SER A 55 -1.388 0.007 -10.748 1.00 0.00 C ATOM 683 OG SER A 55 -1.145 0.537 -12.043 1.00 0.00 O ATOM 0 H SER A 55 -1.355 -1.040 -8.515 1.00 0.00 H new ATOM 0 HA SER A 55 0.384 -1.203 -10.756 1.00 0.00 H new ATOM 0 HB2 SER A 55 -2.097 -0.818 -10.818 1.00 0.00 H new ATOM 0 HB3 SER A 55 -1.849 0.771 -10.122 1.00 0.00 H new ATOM 0 HG SER A 55 -1.990 0.839 -12.437 1.00 0.00 H new ATOM 689 N LYS A 56 0.856 1.221 -8.650 1.00 0.00 N ATOM 690 CA LYS A 56 1.741 2.315 -8.278 1.00 0.00 C ATOM 691 C LYS A 56 3.148 1.807 -7.987 1.00 0.00 C ATOM 692 O LYS A 56 4.057 2.592 -7.730 1.00 0.00 O ATOM 693 CB LYS A 56 1.194 3.047 -7.053 1.00 0.00 C ATOM 694 CG LYS A 56 0.091 4.047 -7.363 1.00 0.00 C ATOM 695 CD LYS A 56 0.610 5.202 -8.206 1.00 0.00 C ATOM 696 CE LYS A 56 -0.416 6.316 -8.324 1.00 0.00 C ATOM 697 NZ LYS A 56 0.086 7.445 -9.151 1.00 0.00 N ATOM 0 H LYS A 56 0.234 0.914 -7.902 1.00 0.00 H new ATOM 0 HA LYS A 56 1.790 3.007 -9.119 1.00 0.00 H new ATOM 0 HB2 LYS A 56 0.813 2.311 -6.345 1.00 0.00 H new ATOM 0 HB3 LYS A 56 2.014 3.569 -6.560 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -0.720 3.545 -7.891 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -0.325 4.432 -6.432 1.00 0.00 H new ATOM 0 HD2 LYS A 56 1.524 5.595 -7.762 1.00 0.00 H new ATOM 0 HD3 LYS A 56 0.869 4.839 -9.201 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -1.331 5.922 -8.765 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -0.673 6.680 -7.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -0.643 8.185 -9.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 0.945 7.838 -8.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 0.307 7.103 -10.108 1.00 0.00 H new ATOM 711 N GLY A 57 3.325 0.495 -8.025 1.00 0.00 N ATOM 712 CA GLY A 57 4.635 -0.079 -7.802 1.00 0.00 C ATOM 713 C GLY A 57 4.813 -0.578 -6.388 1.00 0.00 C ATOM 714 O GLY A 57 5.916 -0.946 -5.985 1.00 0.00 O ATOM 0 H GLY A 57 2.584 -0.183 -8.206 1.00 0.00 H new ATOM 0 HA2 GLY A 57 4.790 -0.904 -8.497 1.00 0.00 H new ATOM 0 HA3 GLY A 57 5.398 0.669 -8.019 1.00 0.00 H new ATOM 718 N LEU A 58 3.731 -0.587 -5.623 1.00 0.00 N ATOM 719 CA LEU A 58 3.786 -1.069 -4.254 1.00 0.00 C ATOM 720 C LEU A 58 3.735 -2.582 -4.200 1.00 0.00 C ATOM 721 O LEU A 58 3.094 -3.234 -5.027 1.00 0.00 O ATOM 722 CB LEU A 58 2.652 -0.506 -3.403 1.00 0.00 C ATOM 723 CG LEU A 58 2.922 0.852 -2.762 1.00 0.00 C ATOM 724 CD1 LEU A 58 2.770 1.977 -3.772 1.00 0.00 C ATOM 725 CD2 LEU A 58 2.009 1.051 -1.568 1.00 0.00 C ATOM 0 H LEU A 58 2.811 -0.268 -5.926 1.00 0.00 H new ATOM 0 HA LEU A 58 4.736 -0.722 -3.847 1.00 0.00 H new ATOM 0 HB2 LEU A 58 1.761 -0.424 -4.025 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.424 -1.222 -2.613 1.00 0.00 H new ATOM 0 HG LEU A 58 3.954 0.874 -2.413 1.00 0.00 H new ATOM 0 HD11 LEU A 58 2.969 2.932 -3.286 1.00 0.00 H new ATOM 0 HD12 LEU A 58 3.478 1.831 -4.588 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.754 1.976 -4.168 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.208 2.023 -1.116 1.00 0.00 H new ATOM 0 HD22 LEU A 58 0.970 1.008 -1.894 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.192 0.265 -0.835 1.00 0.00 H new ATOM 737 N SER A 59 4.424 -3.126 -3.222 1.00 0.00 N ATOM 738 CA SER A 59 4.403 -4.548 -2.962 1.00 0.00 C ATOM 739 C SER A 59 3.270 -4.867 -1.997 1.00 0.00 C ATOM 740 O SER A 59 2.727 -3.961 -1.361 1.00 0.00 O ATOM 741 CB SER A 59 5.742 -4.960 -2.368 1.00 0.00 C ATOM 742 OG SER A 59 6.811 -4.509 -3.184 1.00 0.00 O ATOM 0 H SER A 59 5.016 -2.594 -2.584 1.00 0.00 H new ATOM 0 HA SER A 59 4.238 -5.100 -3.888 1.00 0.00 H new ATOM 0 HB2 SER A 59 5.844 -4.546 -1.365 1.00 0.00 H new ATOM 0 HB3 SER A 59 5.784 -6.045 -2.271 1.00 0.00 H new ATOM 0 HG SER A 59 7.664 -4.781 -2.786 1.00 0.00 H new ATOM 748 N ALA A 60 2.922 -6.140 -1.876 1.00 0.00 N ATOM 749 CA ALA A 60 1.835 -6.554 -0.996 1.00 0.00 C ATOM 750 C ALA A 60 2.112 -6.139 0.446 1.00 0.00 C ATOM 751 O ALA A 60 1.205 -5.733 1.174 1.00 0.00 O ATOM 752 CB ALA A 60 1.624 -8.056 -1.087 1.00 0.00 C ATOM 0 H ALA A 60 3.376 -6.905 -2.375 1.00 0.00 H new ATOM 0 HA ALA A 60 0.923 -6.053 -1.322 1.00 0.00 H new ATOM 0 HB1 ALA A 60 0.810 -8.350 -0.425 1.00 0.00 H new ATOM 0 HB2 ALA A 60 1.373 -8.327 -2.113 1.00 0.00 H new ATOM 0 HB3 ALA A 60 2.538 -8.570 -0.789 1.00 0.00 H new ATOM 758 N GLU A 61 3.377 -6.224 0.840 1.00 0.00 N ATOM 759 CA GLU A 61 3.797 -5.840 2.183 1.00 0.00 C ATOM 760 C GLU A 61 3.572 -4.347 2.413 1.00 0.00 C ATOM 761 O GLU A 61 3.094 -3.932 3.468 1.00 0.00 O ATOM 762 CB GLU A 61 5.274 -6.178 2.385 1.00 0.00 C ATOM 763 CG GLU A 61 5.623 -7.616 2.042 1.00 0.00 C ATOM 764 CD GLU A 61 7.094 -7.916 2.229 1.00 0.00 C ATOM 765 OE1 GLU A 61 7.909 -7.477 1.393 1.00 0.00 O ATOM 766 OE2 GLU A 61 7.445 -8.599 3.217 1.00 0.00 O ATOM 0 H GLU A 61 4.135 -6.558 0.244 1.00 0.00 H new ATOM 0 HA GLU A 61 3.198 -6.397 2.903 1.00 0.00 H new ATOM 0 HB2 GLU A 61 5.878 -5.510 1.771 1.00 0.00 H new ATOM 0 HB3 GLU A 61 5.543 -5.986 3.424 1.00 0.00 H new ATOM 0 HG2 GLU A 61 5.036 -8.288 2.668 1.00 0.00 H new ATOM 0 HG3 GLU A 61 5.343 -7.818 1.008 1.00 0.00 H new ATOM 773 N GLU A 62 3.910 -3.552 1.405 1.00 0.00 N ATOM 774 CA GLU A 62 3.767 -2.102 1.476 1.00 0.00 C ATOM 775 C GLU A 62 2.300 -1.720 1.607 1.00 0.00 C ATOM 776 O GLU A 62 1.933 -0.871 2.419 1.00 0.00 O ATOM 777 CB GLU A 62 4.357 -1.457 0.221 1.00 0.00 C ATOM 778 CG GLU A 62 5.783 -1.890 -0.068 1.00 0.00 C ATOM 779 CD GLU A 62 6.763 -1.417 0.982 1.00 0.00 C ATOM 780 OE1 GLU A 62 6.661 -1.859 2.147 1.00 0.00 O ATOM 781 OE2 GLU A 62 7.653 -0.616 0.640 1.00 0.00 O ATOM 0 H GLU A 62 4.289 -3.891 0.521 1.00 0.00 H new ATOM 0 HA GLU A 62 4.305 -1.742 2.353 1.00 0.00 H new ATOM 0 HB2 GLU A 62 3.730 -1.705 -0.635 1.00 0.00 H new ATOM 0 HB3 GLU A 62 4.330 -0.373 0.332 1.00 0.00 H new ATOM 0 HG2 GLU A 62 5.822 -2.977 -0.131 1.00 0.00 H new ATOM 0 HG3 GLU A 62 6.085 -1.503 -1.041 1.00 0.00 H new ATOM 788 N ILE A 63 1.472 -2.364 0.799 1.00 0.00 N ATOM 789 CA ILE A 63 0.035 -2.146 0.827 1.00 0.00 C ATOM 790 C ILE A 63 -0.532 -2.525 2.194 1.00 0.00 C ATOM 791 O ILE A 63 -1.348 -1.802 2.768 1.00 0.00 O ATOM 792 CB ILE A 63 -0.656 -2.970 -0.283 1.00 0.00 C ATOM 793 CG1 ILE A 63 -0.081 -2.588 -1.650 1.00 0.00 C ATOM 794 CG2 ILE A 63 -2.160 -2.756 -0.257 1.00 0.00 C ATOM 795 CD1 ILE A 63 -0.539 -3.483 -2.782 1.00 0.00 C ATOM 0 H ILE A 63 1.776 -3.050 0.108 1.00 0.00 H new ATOM 0 HA ILE A 63 -0.158 -1.088 0.648 1.00 0.00 H new ATOM 0 HB ILE A 63 -0.464 -4.028 -0.103 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -0.363 -1.560 -1.877 1.00 0.00 H new ATOM 0 HG13 ILE A 63 1.007 -2.616 -1.596 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -2.625 -3.346 -1.047 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -2.555 -3.068 0.710 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -2.380 -1.700 -0.415 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -0.089 -3.147 -3.716 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -0.234 -4.510 -2.580 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -1.625 -3.437 -2.866 1.00 0.00 H new ATOM 807 N CYS A 64 -0.061 -3.650 2.717 1.00 0.00 N ATOM 808 CA CYS A 64 -0.462 -4.130 4.033 1.00 0.00 C ATOM 809 C CYS A 64 -0.153 -3.090 5.113 1.00 0.00 C ATOM 810 O CYS A 64 -0.992 -2.803 5.974 1.00 0.00 O ATOM 811 CB CYS A 64 0.259 -5.447 4.340 1.00 0.00 C ATOM 812 SG CYS A 64 -0.067 -6.126 5.984 1.00 0.00 S ATOM 0 H CYS A 64 0.609 -4.255 2.241 1.00 0.00 H new ATOM 0 HA CYS A 64 -1.539 -4.300 4.030 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -0.031 -6.186 3.593 1.00 0.00 H new ATOM 0 HB3 CYS A 64 1.332 -5.290 4.233 1.00 0.00 H new ATOM 0 HG CYS A 64 -1.338 -6.044 6.243 1.00 0.00 H new ATOM 818 N GLU A 65 1.050 -2.525 5.066 1.00 0.00 N ATOM 819 CA GLU A 65 1.454 -1.524 6.033 1.00 0.00 C ATOM 820 C GLU A 65 0.660 -0.233 5.857 1.00 0.00 C ATOM 821 O GLU A 65 0.176 0.333 6.834 1.00 0.00 O ATOM 822 CB GLU A 65 2.958 -1.256 5.937 1.00 0.00 C ATOM 823 CG GLU A 65 3.390 -0.016 6.693 1.00 0.00 C ATOM 824 CD GLU A 65 4.867 -0.008 7.020 1.00 0.00 C ATOM 825 OE1 GLU A 65 5.675 0.450 6.187 1.00 0.00 O ATOM 826 OE2 GLU A 65 5.233 -0.454 8.130 1.00 0.00 O ATOM 0 H GLU A 65 1.758 -2.747 4.366 1.00 0.00 H new ATOM 0 HA GLU A 65 1.238 -1.913 7.028 1.00 0.00 H new ATOM 0 HB2 GLU A 65 3.500 -2.118 6.325 1.00 0.00 H new ATOM 0 HB3 GLU A 65 3.236 -1.150 4.888 1.00 0.00 H new ATOM 0 HG2 GLU A 65 3.150 0.866 6.100 1.00 0.00 H new ATOM 0 HG3 GLU A 65 2.818 0.056 7.618 1.00 0.00 H new ATOM 833 N ALA A 66 0.510 0.212 4.613 1.00 0.00 N ATOM 834 CA ALA A 66 -0.210 1.446 4.319 1.00 0.00 C ATOM 835 C ALA A 66 -1.633 1.394 4.855 1.00 0.00 C ATOM 836 O ALA A 66 -2.127 2.371 5.417 1.00 0.00 O ATOM 837 CB ALA A 66 -0.225 1.706 2.823 1.00 0.00 C ATOM 0 H ALA A 66 0.879 -0.265 3.790 1.00 0.00 H new ATOM 0 HA ALA A 66 0.311 2.264 4.817 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -0.766 2.630 2.620 1.00 0.00 H new ATOM 0 HB2 ALA A 66 0.798 1.797 2.459 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -0.718 0.878 2.315 1.00 0.00 H new ATOM 843 N PHE A 67 -2.285 0.249 4.690 1.00 0.00 N ATOM 844 CA PHE A 67 -3.619 0.054 5.231 1.00 0.00 C ATOM 845 C PHE A 67 -3.605 0.178 6.746 1.00 0.00 C ATOM 846 O PHE A 67 -4.438 0.866 7.334 1.00 0.00 O ATOM 847 CB PHE A 67 -4.177 -1.310 4.822 1.00 0.00 C ATOM 848 CG PHE A 67 -4.964 -1.282 3.544 1.00 0.00 C ATOM 849 CD1 PHE A 67 -4.396 -1.693 2.352 1.00 0.00 C ATOM 850 CD2 PHE A 67 -6.276 -0.843 3.540 1.00 0.00 C ATOM 851 CE1 PHE A 67 -5.123 -1.668 1.178 1.00 0.00 C ATOM 852 CE2 PHE A 67 -7.008 -0.815 2.371 1.00 0.00 C ATOM 853 CZ PHE A 67 -6.431 -1.228 1.188 1.00 0.00 C ATOM 0 H PHE A 67 -1.910 -0.555 4.187 1.00 0.00 H new ATOM 0 HA PHE A 67 -4.265 0.830 4.821 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -3.351 -2.013 4.714 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -4.814 -1.687 5.622 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -3.372 -2.037 2.339 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -6.733 -0.518 4.463 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -4.669 -1.992 0.253 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -8.031 -0.470 2.382 1.00 0.00 H new ATOM 0 HZ PHE A 67 -7.002 -1.207 0.271 1.00 0.00 H new ATOM 863 N THR A 68 -2.645 -0.472 7.379 1.00 0.00 N ATOM 864 CA THR A 68 -2.537 -0.432 8.826 1.00 0.00 C ATOM 865 C THR A 68 -2.262 0.999 9.302 1.00 0.00 C ATOM 866 O THR A 68 -2.724 1.416 10.368 1.00 0.00 O ATOM 867 CB THR A 68 -1.431 -1.382 9.321 1.00 0.00 C ATOM 868 OG1 THR A 68 -1.599 -2.679 8.722 1.00 0.00 O ATOM 869 CG2 THR A 68 -1.474 -1.516 10.835 1.00 0.00 C ATOM 0 H THR A 68 -1.930 -1.033 6.915 1.00 0.00 H new ATOM 0 HA THR A 68 -3.486 -0.765 9.247 1.00 0.00 H new ATOM 0 HB THR A 68 -0.466 -0.965 9.033 1.00 0.00 H new ATOM 0 HG1 THR A 68 -1.264 -2.660 7.801 1.00 0.00 H new ATOM 0 HG21 THR A 68 -0.684 -2.192 11.163 1.00 0.00 H new ATOM 0 HG22 THR A 68 -1.327 -0.537 11.291 1.00 0.00 H new ATOM 0 HG23 THR A 68 -2.442 -1.915 11.138 1.00 0.00 H new ATOM 877 N LYS A 69 -1.532 1.751 8.483 1.00 0.00 N ATOM 878 CA LYS A 69 -1.209 3.143 8.774 1.00 0.00 C ATOM 879 C LYS A 69 -2.452 4.033 8.752 1.00 0.00 C ATOM 880 O LYS A 69 -2.534 5.007 9.500 1.00 0.00 O ATOM 881 CB LYS A 69 -0.199 3.669 7.755 1.00 0.00 C ATOM 882 CG LYS A 69 1.181 3.048 7.877 1.00 0.00 C ATOM 883 CD LYS A 69 2.151 3.966 8.601 1.00 0.00 C ATOM 884 CE LYS A 69 2.475 5.194 7.767 1.00 0.00 C ATOM 885 NZ LYS A 69 3.455 6.084 8.440 1.00 0.00 N ATOM 0 H LYS A 69 -1.149 1.413 7.600 1.00 0.00 H new ATOM 0 HA LYS A 69 -0.784 3.175 9.777 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -0.582 3.485 6.751 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -0.112 4.749 7.870 1.00 0.00 H new ATOM 0 HG2 LYS A 69 1.108 2.102 8.413 1.00 0.00 H new ATOM 0 HG3 LYS A 69 1.567 2.822 6.883 1.00 0.00 H new ATOM 0 HD2 LYS A 69 1.721 4.274 9.554 1.00 0.00 H new ATOM 0 HD3 LYS A 69 3.069 3.424 8.826 1.00 0.00 H new ATOM 0 HE2 LYS A 69 2.873 4.881 6.802 1.00 0.00 H new ATOM 0 HE3 LYS A 69 1.558 5.749 7.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 3.647 6.909 7.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 3.066 6.404 9.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 4.340 5.563 8.606 1.00 0.00 H new ATOM 899 N VAL A 70 -3.412 3.709 7.888 1.00 0.00 N ATOM 900 CA VAL A 70 -4.614 4.532 7.754 1.00 0.00 C ATOM 901 C VAL A 70 -5.693 4.119 8.752 1.00 0.00 C ATOM 902 O VAL A 70 -6.773 4.714 8.795 1.00 0.00 O ATOM 903 CB VAL A 70 -5.198 4.498 6.322 1.00 0.00 C ATOM 904 CG1 VAL A 70 -4.154 4.947 5.316 1.00 0.00 C ATOM 905 CG2 VAL A 70 -5.732 3.119 5.960 1.00 0.00 C ATOM 0 H VAL A 70 -3.383 2.893 7.277 1.00 0.00 H new ATOM 0 HA VAL A 70 -4.300 5.553 7.970 1.00 0.00 H new ATOM 0 HB VAL A 70 -6.039 5.190 6.292 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -4.579 4.918 4.313 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -3.840 5.965 5.548 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -3.292 4.281 5.364 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -6.133 3.139 4.947 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -4.924 2.390 6.016 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -6.522 2.840 6.657 1.00 0.00 H new ATOM 915 N GLY A 71 -5.396 3.113 9.559 1.00 0.00 N ATOM 916 CA GLY A 71 -6.343 2.668 10.562 1.00 0.00 C ATOM 917 C GLY A 71 -7.119 1.446 10.126 1.00 0.00 C ATOM 918 O GLY A 71 -8.153 1.116 10.708 1.00 0.00 O ATOM 0 H GLY A 71 -4.517 2.596 9.539 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -5.810 2.445 11.486 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -7.040 3.477 10.783 1.00 0.00 H new ATOM 922 N GLN A 72 -6.621 0.774 9.100 1.00 0.00 N ATOM 923 CA GLN A 72 -7.243 -0.439 8.597 1.00 0.00 C ATOM 924 C GLN A 72 -6.233 -1.582 8.634 1.00 0.00 C ATOM 925 O GLN A 72 -5.482 -1.787 7.685 1.00 0.00 O ATOM 926 CB GLN A 72 -7.728 -0.211 7.161 1.00 0.00 C ATOM 927 CG GLN A 72 -8.308 -1.445 6.487 1.00 0.00 C ATOM 928 CD GLN A 72 -9.706 -1.776 6.952 1.00 0.00 C ATOM 929 OE1 GLN A 72 -9.900 -2.521 7.914 1.00 0.00 O ATOM 930 NE2 GLN A 72 -10.692 -1.230 6.262 1.00 0.00 N ATOM 0 H GLN A 72 -5.779 1.052 8.596 1.00 0.00 H new ATOM 0 HA GLN A 72 -8.097 -0.698 9.223 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -8.485 0.574 7.167 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -6.894 0.155 6.563 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -8.318 -1.291 5.408 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -7.656 -2.297 6.681 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -10.484 -0.619 5.472 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -11.661 -1.420 6.519 1.00 0.00 H new ATOM 939 N PRO A 73 -6.189 -2.342 9.730 1.00 0.00 N ATOM 940 CA PRO A 73 -5.227 -3.425 9.874 1.00 0.00 C ATOM 941 C PRO A 73 -5.546 -4.601 8.960 1.00 0.00 C ATOM 942 O PRO A 73 -6.442 -5.403 9.234 1.00 0.00 O ATOM 943 CB PRO A 73 -5.329 -3.822 11.342 1.00 0.00 C ATOM 944 CG PRO A 73 -6.686 -3.376 11.775 1.00 0.00 C ATOM 945 CD PRO A 73 -7.056 -2.200 10.910 1.00 0.00 C ATOM 0 HA PRO A 73 -4.221 -3.115 9.590 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -5.209 -4.898 11.468 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -4.549 -3.343 11.934 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -7.412 -4.182 11.663 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -6.682 -3.095 12.828 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -8.111 -2.222 10.636 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -6.880 -1.255 11.424 1.00 0.00 H new ATOM 953 N LYS A 74 -4.831 -4.672 7.855 1.00 0.00 N ATOM 954 CA LYS A 74 -5.007 -5.748 6.897 1.00 0.00 C ATOM 955 C LYS A 74 -3.864 -6.736 6.987 1.00 0.00 C ATOM 956 O LYS A 74 -2.714 -6.353 7.203 1.00 0.00 O ATOM 957 CB LYS A 74 -5.107 -5.205 5.470 1.00 0.00 C ATOM 958 CG LYS A 74 -6.441 -4.552 5.161 1.00 0.00 C ATOM 959 CD LYS A 74 -7.583 -5.508 5.453 1.00 0.00 C ATOM 960 CE LYS A 74 -8.893 -5.026 4.868 1.00 0.00 C ATOM 961 NZ LYS A 74 -9.992 -5.994 5.124 1.00 0.00 N ATOM 0 H LYS A 74 -4.117 -3.992 7.596 1.00 0.00 H new ATOM 0 HA LYS A 74 -5.939 -6.258 7.142 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -4.310 -4.478 5.310 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -4.940 -6.021 4.767 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -6.556 -3.647 5.757 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -6.471 -4.250 4.114 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -7.345 -6.491 5.047 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -7.690 -5.626 6.531 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -9.151 -4.058 5.299 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -8.780 -4.877 3.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -10.514 -6.168 4.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -9.592 -6.889 5.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -10.640 -5.603 5.838 1.00 0.00 H new ATOM 975 N THR A 75 -4.189 -8.003 6.827 1.00 0.00 N ATOM 976 CA THR A 75 -3.191 -9.051 6.848 1.00 0.00 C ATOM 977 C THR A 75 -2.535 -9.183 5.480 1.00 0.00 C ATOM 978 O THR A 75 -3.120 -8.801 4.462 1.00 0.00 O ATOM 979 CB THR A 75 -3.813 -10.402 7.255 1.00 0.00 C ATOM 980 OG1 THR A 75 -4.922 -10.711 6.401 1.00 0.00 O ATOM 981 CG2 THR A 75 -4.278 -10.374 8.702 1.00 0.00 C ATOM 0 H THR A 75 -5.143 -8.332 6.680 1.00 0.00 H new ATOM 0 HA THR A 75 -2.437 -8.779 7.587 1.00 0.00 H new ATOM 0 HB THR A 75 -3.047 -11.171 7.151 1.00 0.00 H new ATOM 0 HG1 THR A 75 -5.635 -10.053 6.540 1.00 0.00 H new ATOM 0 HG21 THR A 75 -4.713 -11.339 8.963 1.00 0.00 H new ATOM 0 HG22 THR A 75 -3.428 -10.170 9.353 1.00 0.00 H new ATOM 0 HG23 THR A 75 -5.027 -9.592 8.828 1.00 0.00 H new ATOM 989 N LEU A 76 -1.320 -9.715 5.455 1.00 0.00 N ATOM 990 CA LEU A 76 -0.618 -9.950 4.202 1.00 0.00 C ATOM 991 C LEU A 76 -1.395 -10.958 3.363 1.00 0.00 C ATOM 992 O LEU A 76 -1.406 -10.891 2.132 1.00 0.00 O ATOM 993 CB LEU A 76 0.802 -10.458 4.472 1.00 0.00 C ATOM 994 CG LEU A 76 1.667 -10.666 3.227 1.00 0.00 C ATOM 995 CD1 LEU A 76 1.855 -9.355 2.481 1.00 0.00 C ATOM 996 CD2 LEU A 76 3.014 -11.261 3.607 1.00 0.00 C ATOM 0 H LEU A 76 -0.801 -9.992 6.288 1.00 0.00 H new ATOM 0 HA LEU A 76 -0.544 -9.012 3.652 1.00 0.00 H new ATOM 0 HB2 LEU A 76 1.305 -9.750 5.130 1.00 0.00 H new ATOM 0 HB3 LEU A 76 0.736 -11.403 5.011 1.00 0.00 H new ATOM 0 HG LEU A 76 1.155 -11.366 2.567 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.473 -9.524 1.599 1.00 0.00 H new ATOM 0 HD12 LEU A 76 0.883 -8.968 2.175 1.00 0.00 H new ATOM 0 HD13 LEU A 76 2.344 -8.632 3.134 1.00 0.00 H new ATOM 0 HD21 LEU A 76 3.616 -11.402 2.709 1.00 0.00 H new ATOM 0 HD22 LEU A 76 3.531 -10.585 4.288 1.00 0.00 H new ATOM 0 HD23 LEU A 76 2.862 -12.223 4.097 1.00 0.00 H new ATOM 1008 N ASN A 77 -2.055 -11.879 4.053 1.00 0.00 N ATOM 1009 CA ASN A 77 -2.894 -12.885 3.414 1.00 0.00 C ATOM 1010 C ASN A 77 -3.992 -12.226 2.586 1.00 0.00 C ATOM 1011 O ASN A 77 -4.231 -12.608 1.441 1.00 0.00 O ATOM 1012 CB ASN A 77 -3.528 -13.782 4.475 1.00 0.00 C ATOM 1013 CG ASN A 77 -4.331 -14.920 3.877 1.00 0.00 C ATOM 1014 OD1 ASN A 77 -3.981 -15.462 2.829 1.00 0.00 O ATOM 1015 ND2 ASN A 77 -5.420 -15.282 4.534 1.00 0.00 N ATOM 0 H ASN A 77 -2.024 -11.950 5.070 1.00 0.00 H new ATOM 0 HA ASN A 77 -2.268 -13.484 2.753 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -2.745 -14.192 5.113 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -4.177 -13.181 5.112 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -6.005 -16.037 4.175 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -5.675 -14.807 5.400 1.00 0.00 H new ATOM 1022 N GLU A 78 -4.642 -11.226 3.172 1.00 0.00 N ATOM 1023 CA GLU A 78 -5.711 -10.496 2.494 1.00 0.00 C ATOM 1024 C GLU A 78 -5.210 -9.851 1.219 1.00 0.00 C ATOM 1025 O GLU A 78 -5.839 -9.967 0.174 1.00 0.00 O ATOM 1026 CB GLU A 78 -6.300 -9.423 3.408 1.00 0.00 C ATOM 1027 CG GLU A 78 -7.252 -9.977 4.443 1.00 0.00 C ATOM 1028 CD GLU A 78 -7.628 -8.955 5.488 1.00 0.00 C ATOM 1029 OE1 GLU A 78 -8.737 -8.386 5.398 1.00 0.00 O ATOM 1030 OE2 GLU A 78 -6.814 -8.717 6.407 1.00 0.00 O ATOM 0 H GLU A 78 -4.447 -10.900 4.119 1.00 0.00 H new ATOM 0 HA GLU A 78 -6.488 -11.218 2.241 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -5.488 -8.901 3.914 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -6.824 -8.685 2.800 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -8.155 -10.334 3.947 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -6.794 -10.838 4.930 1.00 0.00 H new ATOM 1037 N ILE A 79 -4.067 -9.190 1.303 1.00 0.00 N ATOM 1038 CA ILE A 79 -3.515 -8.485 0.157 1.00 0.00 C ATOM 1039 C ILE A 79 -3.247 -9.457 -0.992 1.00 0.00 C ATOM 1040 O ILE A 79 -3.605 -9.188 -2.138 1.00 0.00 O ATOM 1041 CB ILE A 79 -2.217 -7.734 0.525 1.00 0.00 C ATOM 1042 CG1 ILE A 79 -2.442 -6.841 1.753 1.00 0.00 C ATOM 1043 CG2 ILE A 79 -1.735 -6.902 -0.653 1.00 0.00 C ATOM 1044 CD1 ILE A 79 -3.563 -5.833 1.588 1.00 0.00 C ATOM 0 H ILE A 79 -3.504 -9.127 2.151 1.00 0.00 H new ATOM 0 HA ILE A 79 -4.253 -7.749 -0.162 1.00 0.00 H new ATOM 0 HB ILE A 79 -1.450 -8.469 0.769 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -2.660 -7.473 2.614 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -1.518 -6.308 1.975 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -0.819 -6.379 -0.378 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -1.539 -7.555 -1.503 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -2.501 -6.175 -0.923 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -3.658 -5.242 2.499 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -3.339 -5.174 0.749 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -4.499 -6.358 1.397 1.00 0.00 H new ATOM 1056 N LYS A 80 -2.643 -10.597 -0.675 1.00 0.00 N ATOM 1057 CA LYS A 80 -2.390 -11.631 -1.675 1.00 0.00 C ATOM 1058 C LYS A 80 -3.698 -12.192 -2.218 1.00 0.00 C ATOM 1059 O LYS A 80 -3.825 -12.461 -3.410 1.00 0.00 O ATOM 1060 CB LYS A 80 -1.555 -12.763 -1.083 1.00 0.00 C ATOM 1061 CG LYS A 80 -0.182 -12.322 -0.620 1.00 0.00 C ATOM 1062 CD LYS A 80 0.682 -13.515 -0.258 1.00 0.00 C ATOM 1063 CE LYS A 80 2.071 -13.091 0.186 1.00 0.00 C ATOM 1064 NZ LYS A 80 2.918 -14.261 0.530 1.00 0.00 N ATOM 0 H LYS A 80 -2.320 -10.829 0.264 1.00 0.00 H new ATOM 0 HA LYS A 80 -1.836 -11.171 -2.494 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -2.092 -13.197 -0.240 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -1.443 -13.550 -1.829 1.00 0.00 H new ATOM 0 HG2 LYS A 80 0.302 -11.744 -1.407 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -0.280 -11.665 0.244 1.00 0.00 H new ATOM 0 HD2 LYS A 80 0.203 -14.082 0.540 1.00 0.00 H new ATOM 0 HD3 LYS A 80 0.762 -14.180 -1.118 1.00 0.00 H new ATOM 0 HE2 LYS A 80 2.548 -12.517 -0.609 1.00 0.00 H new ATOM 0 HE3 LYS A 80 1.991 -12.432 1.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 3.859 -13.933 0.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 2.475 -14.794 1.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 3.014 -14.877 -0.303 1.00 0.00 H new ATOM 1078 N ARG A 81 -4.661 -12.370 -1.328 1.00 0.00 N ATOM 1079 CA ARG A 81 -5.992 -12.845 -1.697 1.00 0.00 C ATOM 1080 C ARG A 81 -6.650 -11.883 -2.682 1.00 0.00 C ATOM 1081 O ARG A 81 -7.192 -12.291 -3.711 1.00 0.00 O ATOM 1082 CB ARG A 81 -6.849 -12.979 -0.434 1.00 0.00 C ATOM 1083 CG ARG A 81 -8.304 -13.324 -0.693 1.00 0.00 C ATOM 1084 CD ARG A 81 -9.080 -13.430 0.610 1.00 0.00 C ATOM 1085 NE ARG A 81 -10.488 -13.759 0.393 1.00 0.00 N ATOM 1086 CZ ARG A 81 -11.299 -14.226 1.343 1.00 0.00 C ATOM 1087 NH1 ARG A 81 -10.849 -14.404 2.582 1.00 0.00 N ATOM 1088 NH2 ARG A 81 -12.560 -14.515 1.055 1.00 0.00 N ATOM 0 H ARG A 81 -4.546 -12.191 -0.330 1.00 0.00 H new ATOM 0 HA ARG A 81 -5.903 -13.818 -2.180 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -6.415 -13.748 0.204 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -6.804 -12.042 0.121 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -8.755 -12.561 -1.328 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -8.367 -14.267 -1.235 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -8.624 -14.193 1.241 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -9.009 -12.486 1.150 1.00 0.00 H new ATOM 0 HE ARG A 81 -10.873 -13.623 -0.542 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -9.879 -14.183 2.809 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -11.473 -14.761 3.305 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -12.910 -14.380 0.107 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -13.180 -14.872 1.782 1.00 0.00 H new ATOM 1102 N ILE A 82 -6.569 -10.605 -2.362 1.00 0.00 N ATOM 1103 CA ILE A 82 -7.153 -9.556 -3.182 1.00 0.00 C ATOM 1104 C ILE A 82 -6.432 -9.435 -4.526 1.00 0.00 C ATOM 1105 O ILE A 82 -7.042 -9.101 -5.543 1.00 0.00 O ATOM 1106 CB ILE A 82 -7.114 -8.211 -2.426 1.00 0.00 C ATOM 1107 CG1 ILE A 82 -7.975 -8.306 -1.160 1.00 0.00 C ATOM 1108 CG2 ILE A 82 -7.593 -7.076 -3.317 1.00 0.00 C ATOM 1109 CD1 ILE A 82 -7.762 -7.174 -0.176 1.00 0.00 C ATOM 0 H ILE A 82 -6.096 -10.263 -1.525 1.00 0.00 H new ATOM 0 HA ILE A 82 -8.191 -9.821 -3.385 1.00 0.00 H new ATOM 0 HB ILE A 82 -6.084 -7.998 -2.140 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -9.026 -8.327 -1.450 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -7.763 -9.251 -0.660 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -7.557 -6.138 -2.763 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -6.949 -7.005 -4.193 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -8.617 -7.270 -3.635 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -8.409 -7.318 0.690 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -6.721 -7.163 0.146 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -8.003 -6.225 -0.655 1.00 0.00 H new ATOM 1121 N LEU A 83 -5.139 -9.719 -4.534 1.00 0.00 N ATOM 1122 CA LEU A 83 -4.354 -9.659 -5.762 1.00 0.00 C ATOM 1123 C LEU A 83 -4.493 -10.944 -6.573 1.00 0.00 C ATOM 1124 O LEU A 83 -4.134 -10.975 -7.752 1.00 0.00 O ATOM 1125 CB LEU A 83 -2.881 -9.402 -5.444 1.00 0.00 C ATOM 1126 CG LEU A 83 -2.577 -8.023 -4.855 1.00 0.00 C ATOM 1127 CD1 LEU A 83 -1.100 -7.895 -4.523 1.00 0.00 C ATOM 1128 CD2 LEU A 83 -3.006 -6.928 -5.821 1.00 0.00 C ATOM 0 H LEU A 83 -4.609 -9.993 -3.706 1.00 0.00 H new ATOM 0 HA LEU A 83 -4.740 -8.834 -6.360 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -2.538 -10.163 -4.743 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -2.301 -9.526 -6.358 1.00 0.00 H new ATOM 0 HG LEU A 83 -3.144 -7.910 -3.931 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -0.905 -6.907 -4.105 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -0.823 -8.658 -3.795 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -0.510 -8.028 -5.430 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -2.783 -5.953 -5.388 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -2.465 -7.040 -6.761 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -4.077 -7.006 -6.007 1.00 0.00 H new ATOM 1140 N SER A 84 -5.028 -11.986 -5.932 1.00 0.00 N ATOM 1141 CA SER A 84 -5.224 -13.304 -6.545 1.00 0.00 C ATOM 1142 C SER A 84 -3.957 -13.794 -7.257 1.00 0.00 C ATOM 1143 O SER A 84 -3.851 -13.633 -8.492 1.00 0.00 O ATOM 1144 CB SER A 84 -6.440 -13.298 -7.490 1.00 0.00 C ATOM 1145 OG SER A 84 -6.395 -12.220 -8.414 1.00 0.00 O ATOM 1146 OXT SER A 84 -3.058 -14.324 -6.565 1.00 0.00 O ATOM 0 H SER A 84 -5.341 -11.939 -4.962 1.00 0.00 H new ATOM 0 HA SER A 84 -5.431 -14.013 -5.743 1.00 0.00 H new ATOM 0 HB2 SER A 84 -6.479 -14.241 -8.036 1.00 0.00 H new ATOM 0 HB3 SER A 84 -7.355 -13.232 -6.902 1.00 0.00 H new ATOM 0 HG SER A 84 -5.474 -11.895 -8.493 1.00 0.00 H new TER 1152 SER A 84