USER MOD reduce.3.24.130724 H: found=0, std=0, add=816, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 816 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 GLU N :NH3+ -179:sc= 0.97 (180deg=0.928) USER MOD Single : A 2 LYS NZ :NH3+ 145:sc= 1.29 (180deg=1.14) USER MOD Single : A 3 LYS NZ :NH3+ 137:sc= -0.0704 (180deg=-0.415) USER MOD Single : A 5 GLN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 6 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0823) USER MOD Single : A 8 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.114) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 LYS NZ :NH3+ 162:sc= -0.34! (180deg=-0.473) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 160:sc= 1.3 (180deg=1.13) USER MOD Single : A 20 LYS NZ :NH3+ -158:sc= 1.24 (180deg=1.16) USER MOD Single : A 22 THR OG1 : rot -3:sc= 0.833 USER MOD Single : A 26 GLN :FLIP amide:sc= 0 F(o=-0.69,f=0) USER MOD Single : A 29 HIS : no HD1:sc= 0.734 K(o=0.73,f=-5!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 CYS SG : rot 92:sc= 1.26 USER MOD Single : A 35 CYS SG : rot -35:sc= -0.626 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.088) USER MOD Single : A 42 ASN :FLIP amide:sc= 0 F(o=-0.86,f=0) USER MOD Single : A 45 SER OG : rot -89:sc= 0.387 USER MOD Single : A 47 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0198) USER MOD Single : A 48 GLN : amide:sc= -0.179 X(o=-0.18,f=-0.18) USER MOD Single : A 51 GLN : amide:sc= -0.93 X(o=-0.93,f=-0.93) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.035 USER MOD Single : A 60 ASN : amide:sc= 0.283 K(o=0.28,f=-3.8!) USER MOD Single : A 64 LYS NZ :NH3+ 160:sc= 1.27 (180deg=1.25) USER MOD Single : A 69 THR OG1 : rot 176:sc= -2.33! USER MOD Single : A 73 SER OG : rot 180:sc= -0.881 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 15:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 167:sc= 0.998 (180deg=0.819) USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.0098 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 173:sc= 1.26 (180deg=1.2) USER MOD Single : A 92 LYS NZ :NH3+ 141:sc= 1.12 (180deg=0.896) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -5.014 27.561 3.198 1.00 0.00 N ATOM 2 CA GLU A 1 -4.119 26.413 3.287 1.00 0.00 C ATOM 3 C GLU A 1 -4.771 25.207 2.615 1.00 0.00 C ATOM 4 O GLU A 1 -5.920 25.295 2.154 1.00 0.00 O ATOM 5 CB GLU A 1 -3.799 26.067 4.772 1.00 0.00 C ATOM 6 CG GLU A 1 -4.989 25.586 5.633 1.00 0.00 C ATOM 7 CD GLU A 1 -5.974 26.674 6.000 1.00 0.00 C ATOM 8 OE1 GLU A 1 -6.750 27.114 5.131 1.00 0.00 O ATOM 9 OE2 GLU A 1 -5.973 27.116 7.159 1.00 0.00 O ATOM 0 H1 GLU A 1 -4.564 28.387 3.640 1.00 0.00 H new ATOM 0 H2 GLU A 1 -5.214 27.769 2.199 1.00 0.00 H new ATOM 0 H3 GLU A 1 -5.904 27.346 3.691 1.00 0.00 H new ATOM 0 HA GLU A 1 -3.186 26.664 2.782 1.00 0.00 H new ATOM 0 HB2 GLU A 1 -3.032 25.293 4.786 1.00 0.00 H new ATOM 0 HB3 GLU A 1 -3.369 26.950 5.245 1.00 0.00 H new ATOM 0 HG2 GLU A 1 -5.518 24.800 5.094 1.00 0.00 H new ATOM 0 HG3 GLU A 1 -4.602 25.139 6.549 1.00 0.00 H new ATOM 18 N LYS A 2 -4.054 24.097 2.530 1.00 0.00 N ATOM 19 CA LYS A 2 -4.641 22.876 2.033 1.00 0.00 C ATOM 20 C LYS A 2 -5.162 22.142 3.244 1.00 0.00 C ATOM 21 O LYS A 2 -4.395 21.617 4.043 1.00 0.00 O ATOM 22 CB LYS A 2 -3.629 22.005 1.273 1.00 0.00 C ATOM 23 CG LYS A 2 -4.258 20.773 0.615 1.00 0.00 C ATOM 24 CD LYS A 2 -3.210 19.883 -0.032 1.00 0.00 C ATOM 25 CE LYS A 2 -3.831 18.656 -0.706 1.00 0.00 C ATOM 26 NZ LYS A 2 -4.669 19.012 -1.880 1.00 0.00 N ATOM 0 H LYS A 2 -3.073 24.023 2.798 1.00 0.00 H new ATOM 0 HA LYS A 2 -5.431 23.103 1.317 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -3.145 22.610 0.506 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -2.850 21.681 1.963 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -4.808 20.202 1.363 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -4.980 21.091 -0.137 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -2.653 20.459 -0.771 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -2.495 19.558 0.724 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -3.037 17.979 -1.023 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -4.439 18.116 0.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -4.579 18.274 -2.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -5.664 19.089 -1.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -4.352 19.923 -2.270 1.00 0.00 H new ATOM 40 N LYS A 3 -6.439 22.141 3.396 1.00 0.00 N ATOM 41 CA LYS A 3 -7.073 21.622 4.579 1.00 0.00 C ATOM 42 C LYS A 3 -7.720 20.272 4.242 1.00 0.00 C ATOM 43 O LYS A 3 -8.664 19.818 4.894 1.00 0.00 O ATOM 44 CB LYS A 3 -8.125 22.657 5.025 1.00 0.00 C ATOM 45 CG LYS A 3 -8.594 22.524 6.456 1.00 0.00 C ATOM 46 CD LYS A 3 -7.450 22.755 7.428 1.00 0.00 C ATOM 47 CE LYS A 3 -7.902 22.581 8.863 1.00 0.00 C ATOM 48 NZ LYS A 3 -8.445 21.235 9.098 1.00 0.00 N ATOM 0 H LYS A 3 -7.090 22.503 2.699 1.00 0.00 H new ATOM 0 HA LYS A 3 -6.360 21.458 5.387 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -7.710 23.655 4.887 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -8.991 22.578 4.367 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -9.391 23.242 6.649 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -9.015 21.531 6.614 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -6.641 22.057 7.213 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -7.050 23.760 7.290 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -7.061 22.758 9.534 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -8.661 23.327 9.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -8.089 20.870 10.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -9.484 21.280 9.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -8.147 20.601 8.329 1.00 0.00 H new ATOM 62 N GLU A 4 -7.153 19.602 3.264 1.00 0.00 N ATOM 63 CA GLU A 4 -7.712 18.367 2.759 1.00 0.00 C ATOM 64 C GLU A 4 -7.094 17.144 3.425 1.00 0.00 C ATOM 65 O GLU A 4 -6.421 16.333 2.784 1.00 0.00 O ATOM 66 CB GLU A 4 -7.581 18.300 1.244 1.00 0.00 C ATOM 67 CG GLU A 4 -8.293 19.430 0.535 1.00 0.00 C ATOM 68 CD GLU A 4 -8.135 19.364 -0.948 1.00 0.00 C ATOM 69 OE1 GLU A 4 -7.144 19.910 -1.475 1.00 0.00 O ATOM 70 OE2 GLU A 4 -9.001 18.781 -1.622 1.00 0.00 O ATOM 0 H GLU A 4 -6.295 19.896 2.797 1.00 0.00 H new ATOM 0 HA GLU A 4 -8.772 18.359 3.011 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -6.525 18.319 0.976 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -7.982 17.349 0.893 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -9.353 19.401 0.786 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -7.906 20.383 0.896 1.00 0.00 H new ATOM 77 N GLN A 5 -7.311 17.045 4.706 1.00 0.00 N ATOM 78 CA GLN A 5 -6.862 15.930 5.509 1.00 0.00 C ATOM 79 C GLN A 5 -7.619 15.961 6.815 1.00 0.00 C ATOM 80 O GLN A 5 -7.818 17.034 7.402 1.00 0.00 O ATOM 81 CB GLN A 5 -5.339 15.962 5.768 1.00 0.00 C ATOM 82 CG GLN A 5 -4.863 17.217 6.466 1.00 0.00 C ATOM 83 CD GLN A 5 -3.402 17.200 6.829 1.00 0.00 C ATOM 84 OE1 GLN A 5 -2.811 16.144 7.096 1.00 0.00 O ATOM 85 NE2 GLN A 5 -2.822 18.358 6.872 1.00 0.00 N ATOM 0 H GLN A 5 -7.817 17.752 5.239 1.00 0.00 H new ATOM 0 HA GLN A 5 -7.060 15.006 4.966 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -5.064 15.096 6.371 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -4.816 15.867 4.816 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -5.057 18.074 5.821 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -5.450 17.361 7.373 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -3.349 19.201 6.644 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -1.839 18.426 7.134 1.00 0.00 H new ATOM 94 N LYS A 6 -8.080 14.837 7.236 1.00 0.00 N ATOM 95 CA LYS A 6 -8.818 14.716 8.472 1.00 0.00 C ATOM 96 C LYS A 6 -8.015 13.861 9.427 1.00 0.00 C ATOM 97 O LYS A 6 -8.013 14.077 10.639 1.00 0.00 O ATOM 98 CB LYS A 6 -10.174 14.058 8.191 1.00 0.00 C ATOM 99 CG LYS A 6 -11.028 14.809 7.172 1.00 0.00 C ATOM 100 CD LYS A 6 -12.280 14.031 6.797 1.00 0.00 C ATOM 101 CE LYS A 6 -13.227 13.842 7.971 1.00 0.00 C ATOM 102 NZ LYS A 6 -13.783 15.118 8.446 1.00 0.00 N ATOM 0 H LYS A 6 -7.961 13.956 6.735 1.00 0.00 H new ATOM 0 HA LYS A 6 -8.988 15.699 8.912 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -10.006 13.043 7.832 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -10.728 13.978 9.126 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -11.312 15.779 7.581 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -10.438 15.001 6.276 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -12.801 14.554 5.995 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -11.993 13.055 6.406 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -14.041 13.180 7.676 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -12.697 13.352 8.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -14.534 14.932 9.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -13.030 15.680 8.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -14.178 15.645 7.642 1.00 0.00 H new ATOM 116 N GLU A 7 -7.317 12.914 8.849 1.00 0.00 N ATOM 117 CA GLU A 7 -6.490 11.942 9.530 1.00 0.00 C ATOM 118 C GLU A 7 -5.265 11.688 8.657 1.00 0.00 C ATOM 119 O GLU A 7 -5.134 12.276 7.581 1.00 0.00 O ATOM 120 CB GLU A 7 -7.273 10.618 9.646 1.00 0.00 C ATOM 121 CG GLU A 7 -8.406 10.590 10.661 1.00 0.00 C ATOM 122 CD GLU A 7 -7.921 10.294 12.051 1.00 0.00 C ATOM 123 OE1 GLU A 7 -7.543 11.222 12.783 1.00 0.00 O ATOM 124 OE2 GLU A 7 -7.896 9.100 12.439 1.00 0.00 O ATOM 0 H GLU A 7 -7.309 12.792 7.836 1.00 0.00 H new ATOM 0 HA GLU A 7 -6.208 12.303 10.519 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -7.686 10.378 8.666 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -6.569 9.825 9.898 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -8.919 11.551 10.655 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -9.136 9.837 10.366 1.00 0.00 H new ATOM 131 N LYS A 8 -4.376 10.835 9.113 1.00 0.00 N ATOM 132 CA LYS A 8 -3.269 10.357 8.284 1.00 0.00 C ATOM 133 C LYS A 8 -3.672 8.997 7.754 1.00 0.00 C ATOM 134 O LYS A 8 -2.941 8.337 7.018 1.00 0.00 O ATOM 135 CB LYS A 8 -1.928 10.260 9.057 1.00 0.00 C ATOM 136 CG LYS A 8 -1.283 11.599 9.444 1.00 0.00 C ATOM 137 CD LYS A 8 -2.074 12.357 10.501 1.00 0.00 C ATOM 138 CE LYS A 8 -1.438 13.699 10.818 1.00 0.00 C ATOM 139 NZ LYS A 8 -0.084 13.573 11.380 1.00 0.00 N ATOM 0 H LYS A 8 -4.390 10.450 10.058 1.00 0.00 H new ATOM 0 HA LYS A 8 -3.091 11.071 7.479 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -2.095 9.682 9.966 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -1.219 9.699 8.448 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -0.274 11.416 9.815 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -1.188 12.221 8.554 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -3.095 12.511 10.152 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -2.135 11.758 11.410 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -1.394 14.298 9.909 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -2.070 14.237 11.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 0.240 14.502 11.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -0.099 12.902 12.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 0.566 13.226 10.646 1.00 0.00 H new ATOM 153 N GLU A 9 -4.870 8.613 8.175 1.00 0.00 N ATOM 154 CA GLU A 9 -5.550 7.407 7.802 1.00 0.00 C ATOM 155 C GLU A 9 -4.883 6.163 8.332 1.00 0.00 C ATOM 156 O GLU A 9 -4.055 5.521 7.673 1.00 0.00 O ATOM 157 CB GLU A 9 -5.874 7.347 6.320 1.00 0.00 C ATOM 158 CG GLU A 9 -6.780 8.486 5.873 1.00 0.00 C ATOM 159 CD GLU A 9 -7.119 8.407 4.420 1.00 0.00 C ATOM 160 OE1 GLU A 9 -8.013 7.624 4.061 1.00 0.00 O ATOM 161 OE2 GLU A 9 -6.485 9.112 3.609 1.00 0.00 O ATOM 0 H GLU A 9 -5.415 9.179 8.825 1.00 0.00 H new ATOM 0 HA GLU A 9 -6.517 7.439 8.303 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -4.947 7.379 5.747 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -6.355 6.395 6.095 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -7.699 8.467 6.459 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -6.290 9.438 6.078 1.00 0.00 H new ATOM 168 N LYS A 10 -5.241 5.862 9.548 1.00 0.00 N ATOM 169 CA LYS A 10 -4.781 4.709 10.275 1.00 0.00 C ATOM 170 C LYS A 10 -6.013 3.818 10.461 1.00 0.00 C ATOM 171 O LYS A 10 -6.127 3.010 11.388 1.00 0.00 O ATOM 172 CB LYS A 10 -4.241 5.164 11.633 1.00 0.00 C ATOM 173 CG LYS A 10 -3.489 4.094 12.420 1.00 0.00 C ATOM 174 CD LYS A 10 -3.198 4.566 13.829 1.00 0.00 C ATOM 175 CE LYS A 10 -4.486 4.745 14.622 1.00 0.00 C ATOM 176 NZ LYS A 10 -4.246 5.342 15.938 1.00 0.00 N ATOM 0 H LYS A 10 -5.890 6.438 10.085 1.00 0.00 H new ATOM 0 HA LYS A 10 -3.985 4.175 9.756 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -3.576 6.013 11.476 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -5.075 5.520 12.238 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -4.080 3.179 12.453 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -2.555 3.852 11.913 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -2.554 3.845 14.332 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -2.654 5.510 13.795 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -5.173 5.376 14.058 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -4.972 3.777 14.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -5.150 5.445 16.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -3.611 4.728 16.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -3.807 6.277 15.820 1.00 0.00 H new ATOM 190 N LYS A 11 -6.937 3.982 9.545 1.00 0.00 N ATOM 191 CA LYS A 11 -8.186 3.255 9.550 1.00 0.00 C ATOM 192 C LYS A 11 -8.008 1.980 8.711 1.00 0.00 C ATOM 193 O LYS A 11 -8.935 1.188 8.523 1.00 0.00 O ATOM 194 CB LYS A 11 -9.288 4.143 8.959 1.00 0.00 C ATOM 195 CG LYS A 11 -10.707 3.694 9.274 1.00 0.00 C ATOM 196 CD LYS A 11 -11.018 3.856 10.755 1.00 0.00 C ATOM 197 CE LYS A 11 -12.437 3.429 11.072 1.00 0.00 C ATOM 198 NZ LYS A 11 -12.796 3.718 12.469 1.00 0.00 N ATOM 0 H LYS A 11 -6.842 4.632 8.765 1.00 0.00 H new ATOM 0 HA LYS A 11 -8.470 2.981 10.566 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -9.153 5.160 9.329 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -9.165 4.178 7.877 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -11.415 4.277 8.685 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -10.834 2.651 8.985 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -10.318 3.262 11.342 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -10.876 4.897 11.046 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -13.129 3.944 10.405 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -12.546 2.361 10.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -13.774 3.411 12.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -12.152 3.207 13.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -12.717 4.740 12.644 1.00 0.00 H new ATOM 212 N GLU A 12 -6.785 1.778 8.273 1.00 0.00 N ATOM 213 CA GLU A 12 -6.377 0.650 7.455 1.00 0.00 C ATOM 214 C GLU A 12 -6.074 -0.569 8.331 1.00 0.00 C ATOM 215 O GLU A 12 -5.147 -1.306 8.096 1.00 0.00 O ATOM 216 CB GLU A 12 -5.167 1.063 6.564 1.00 0.00 C ATOM 217 CG GLU A 12 -4.152 2.069 7.181 1.00 0.00 C ATOM 218 CD GLU A 12 -3.400 1.593 8.421 1.00 0.00 C ATOM 219 OE1 GLU A 12 -3.964 1.647 9.533 1.00 0.00 O ATOM 220 OE2 GLU A 12 -2.209 1.227 8.324 1.00 0.00 O ATOM 0 H GLU A 12 -6.017 2.416 8.483 1.00 0.00 H new ATOM 0 HA GLU A 12 -7.192 0.361 6.792 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -4.624 0.159 6.288 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -5.556 1.495 5.642 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -3.421 2.330 6.416 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -4.688 2.984 7.435 1.00 0.00 H new ATOM 227 N GLN A 13 -6.970 -0.832 9.253 1.00 0.00 N ATOM 228 CA GLN A 13 -6.790 -1.845 10.293 1.00 0.00 C ATOM 229 C GLN A 13 -6.603 -3.251 9.732 1.00 0.00 C ATOM 230 O GLN A 13 -5.909 -4.089 10.322 1.00 0.00 O ATOM 231 CB GLN A 13 -7.940 -1.806 11.289 1.00 0.00 C ATOM 232 CG GLN A 13 -8.191 -0.429 11.876 1.00 0.00 C ATOM 233 CD GLN A 13 -9.361 -0.400 12.833 1.00 0.00 C ATOM 234 OE1 GLN A 13 -9.199 -0.581 14.038 1.00 0.00 O ATOM 235 NE2 GLN A 13 -10.546 -0.208 12.309 1.00 0.00 N ATOM 0 H GLN A 13 -7.864 -0.345 9.311 1.00 0.00 H new ATOM 0 HA GLN A 13 -5.865 -1.596 10.812 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -8.848 -2.152 10.796 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -7.731 -2.504 12.099 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -7.294 -0.093 12.397 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -8.373 0.278 11.066 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -10.642 -0.061 11.304 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -11.373 -0.205 12.906 1.00 0.00 H new ATOM 244 N GLU A 14 -7.184 -3.497 8.604 1.00 0.00 N ATOM 245 CA GLU A 14 -7.053 -4.786 7.954 1.00 0.00 C ATOM 246 C GLU A 14 -5.656 -5.044 7.439 1.00 0.00 C ATOM 247 O GLU A 14 -5.208 -6.182 7.434 1.00 0.00 O ATOM 248 CB GLU A 14 -8.078 -4.982 6.844 1.00 0.00 C ATOM 249 CG GLU A 14 -9.452 -5.329 7.356 1.00 0.00 C ATOM 250 CD GLU A 14 -9.430 -6.603 8.163 1.00 0.00 C ATOM 251 OE1 GLU A 14 -9.309 -7.702 7.564 1.00 0.00 O ATOM 252 OE2 GLU A 14 -9.523 -6.534 9.404 1.00 0.00 O ATOM 0 H GLU A 14 -7.762 -2.825 8.099 1.00 0.00 H new ATOM 0 HA GLU A 14 -7.255 -5.524 8.731 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -8.139 -4.070 6.250 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -7.735 -5.774 6.178 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -9.830 -4.513 7.971 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -10.138 -5.440 6.516 1.00 0.00 H new ATOM 259 N ILE A 15 -4.938 -3.996 7.085 1.00 0.00 N ATOM 260 CA ILE A 15 -3.631 -4.165 6.468 1.00 0.00 C ATOM 261 C ILE A 15 -2.627 -4.509 7.540 1.00 0.00 C ATOM 262 O ILE A 15 -1.664 -5.263 7.319 1.00 0.00 O ATOM 263 CB ILE A 15 -3.183 -2.867 5.686 1.00 0.00 C ATOM 264 CG1 ILE A 15 -2.674 -1.750 6.625 1.00 0.00 C ATOM 265 CG2 ILE A 15 -4.338 -2.341 4.846 1.00 0.00 C ATOM 266 CD1 ILE A 15 -1.163 -1.625 6.700 1.00 0.00 C ATOM 0 H ILE A 15 -5.231 -3.027 7.211 1.00 0.00 H new ATOM 0 HA ILE A 15 -3.689 -4.973 5.739 1.00 0.00 H new ATOM 0 HB ILE A 15 -2.351 -3.155 5.044 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -3.088 -0.798 6.293 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -3.060 -1.933 7.628 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -4.020 -1.446 4.310 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -4.644 -3.103 4.130 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -5.178 -2.096 5.496 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -0.898 -0.817 7.382 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -0.738 -2.560 7.064 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -0.766 -1.408 5.708 1.00 0.00 H new ATOM 278 N LYS A 16 -2.927 -4.018 8.723 1.00 0.00 N ATOM 279 CA LYS A 16 -2.046 -4.081 9.849 1.00 0.00 C ATOM 280 C LYS A 16 -1.926 -5.491 10.338 1.00 0.00 C ATOM 281 O LYS A 16 -0.846 -5.967 10.646 1.00 0.00 O ATOM 282 CB LYS A 16 -2.561 -3.165 10.959 1.00 0.00 C ATOM 283 CG LYS A 16 -3.124 -1.857 10.433 1.00 0.00 C ATOM 284 CD LYS A 16 -3.601 -0.945 11.537 1.00 0.00 C ATOM 285 CE LYS A 16 -2.467 -0.119 12.094 1.00 0.00 C ATOM 286 NZ LYS A 16 -1.928 0.772 11.050 1.00 0.00 N ATOM 0 H LYS A 16 -3.813 -3.555 8.924 1.00 0.00 H new ATOM 0 HA LYS A 16 -1.055 -3.742 9.547 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -3.334 -3.686 11.524 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -1.748 -2.952 11.653 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -2.359 -1.345 9.849 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -3.953 -2.068 9.757 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -4.381 -0.286 11.156 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -4.047 -1.539 12.335 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -2.818 0.471 12.941 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -1.679 -0.773 12.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -1.377 1.534 11.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -1.314 0.227 10.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -2.713 1.184 10.506 1.00 0.00 H new ATOM 300 N LYS A 17 -3.032 -6.152 10.362 1.00 0.00 N ATOM 301 CA LYS A 17 -3.103 -7.506 10.828 1.00 0.00 C ATOM 302 C LYS A 17 -2.755 -8.472 9.695 1.00 0.00 C ATOM 303 O LYS A 17 -2.307 -9.588 9.934 1.00 0.00 O ATOM 304 CB LYS A 17 -4.515 -7.745 11.428 1.00 0.00 C ATOM 305 CG LYS A 17 -4.809 -9.130 12.006 1.00 0.00 C ATOM 306 CD LYS A 17 -5.275 -10.127 10.956 1.00 0.00 C ATOM 307 CE LYS A 17 -5.474 -11.500 11.565 1.00 0.00 C ATOM 308 NZ LYS A 17 -6.049 -12.463 10.599 1.00 0.00 N ATOM 0 H LYS A 17 -3.926 -5.769 10.056 1.00 0.00 H new ATOM 0 HA LYS A 17 -2.371 -7.690 11.615 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -4.674 -7.010 12.217 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -5.251 -7.542 10.650 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -3.911 -9.514 12.490 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -5.573 -9.040 12.778 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -6.209 -9.783 10.511 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -4.541 -10.184 10.152 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -4.517 -11.878 11.926 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -6.132 -11.420 12.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -6.167 -13.388 11.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -6.974 -12.117 10.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -5.410 -12.561 9.784 1.00 0.00 H new ATOM 322 N LYS A 18 -2.909 -8.016 8.465 1.00 0.00 N ATOM 323 CA LYS A 18 -2.704 -8.869 7.310 1.00 0.00 C ATOM 324 C LYS A 18 -1.208 -9.077 7.054 1.00 0.00 C ATOM 325 O LYS A 18 -0.756 -10.211 6.862 1.00 0.00 O ATOM 326 CB LYS A 18 -3.342 -8.243 6.077 1.00 0.00 C ATOM 327 CG LYS A 18 -3.941 -9.235 5.083 1.00 0.00 C ATOM 328 CD LYS A 18 -5.236 -9.865 5.614 1.00 0.00 C ATOM 329 CE LYS A 18 -6.273 -8.790 5.972 1.00 0.00 C ATOM 330 NZ LYS A 18 -7.574 -9.360 6.381 1.00 0.00 N ATOM 0 H LYS A 18 -3.176 -7.057 8.241 1.00 0.00 H new ATOM 0 HA LYS A 18 -3.169 -9.834 7.512 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -4.126 -7.559 6.401 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -2.590 -7.645 5.562 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -4.144 -8.727 4.140 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -3.215 -10.020 4.872 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -5.650 -10.537 4.863 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -5.015 -10.468 6.495 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -5.883 -8.171 6.780 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -6.422 -8.136 5.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -8.109 -8.651 6.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -8.115 -9.632 5.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -7.414 -10.199 6.974 1.00 0.00 H new ATOM 344 N PHE A 19 -0.444 -7.990 7.044 1.00 0.00 N ATOM 345 CA PHE A 19 0.986 -8.094 6.781 1.00 0.00 C ATOM 346 C PHE A 19 1.755 -8.181 8.105 1.00 0.00 C ATOM 347 O PHE A 19 2.832 -8.772 8.155 1.00 0.00 O ATOM 348 CB PHE A 19 1.474 -6.883 5.944 1.00 0.00 C ATOM 349 CG PHE A 19 2.832 -7.055 5.284 1.00 0.00 C ATOM 350 CD1 PHE A 19 4.000 -6.973 6.013 1.00 0.00 C ATOM 351 CD2 PHE A 19 2.926 -7.251 3.927 1.00 0.00 C ATOM 352 CE1 PHE A 19 5.226 -7.081 5.406 1.00 0.00 C ATOM 353 CE2 PHE A 19 4.157 -7.367 3.319 1.00 0.00 C ATOM 354 CZ PHE A 19 5.313 -7.275 4.060 1.00 0.00 C ATOM 0 H PHE A 19 -0.783 -7.043 7.212 1.00 0.00 H new ATOM 0 HA PHE A 19 1.174 -9.001 6.206 1.00 0.00 H new ATOM 0 HB2 PHE A 19 0.735 -6.676 5.169 1.00 0.00 H new ATOM 0 HB3 PHE A 19 1.511 -6.007 6.591 1.00 0.00 H new ATOM 0 HD1 PHE A 19 3.949 -6.821 7.081 1.00 0.00 H new ATOM 0 HD2 PHE A 19 2.027 -7.315 3.332 1.00 0.00 H new ATOM 0 HE1 PHE A 19 6.127 -7.012 5.998 1.00 0.00 H new ATOM 0 HE2 PHE A 19 4.215 -7.531 2.253 1.00 0.00 H new ATOM 0 HZ PHE A 19 6.277 -7.356 3.581 1.00 0.00 H new ATOM 364 N LYS A 20 1.161 -7.619 9.166 1.00 0.00 N ATOM 365 CA LYS A 20 1.762 -7.531 10.513 1.00 0.00 C ATOM 366 C LYS A 20 2.904 -6.520 10.479 1.00 0.00 C ATOM 367 O LYS A 20 4.035 -6.838 10.116 1.00 0.00 O ATOM 368 CB LYS A 20 2.194 -8.942 11.063 1.00 0.00 C ATOM 369 CG LYS A 20 2.562 -9.055 12.570 1.00 0.00 C ATOM 370 CD LYS A 20 3.818 -8.276 12.988 1.00 0.00 C ATOM 371 CE LYS A 20 5.084 -8.727 12.252 1.00 0.00 C ATOM 372 NZ LYS A 20 5.456 -10.124 12.533 1.00 0.00 N ATOM 0 H LYS A 20 0.231 -7.203 9.116 1.00 0.00 H new ATOM 0 HA LYS A 20 1.014 -7.176 11.222 1.00 0.00 H new ATOM 0 HB2 LYS A 20 1.382 -9.641 10.864 1.00 0.00 H new ATOM 0 HB3 LYS A 20 3.053 -9.278 10.483 1.00 0.00 H new ATOM 0 HG2 LYS A 20 1.718 -8.701 13.163 1.00 0.00 H new ATOM 0 HG3 LYS A 20 2.706 -10.107 12.816 1.00 0.00 H new ATOM 0 HD2 LYS A 20 3.657 -7.214 12.802 1.00 0.00 H new ATOM 0 HD3 LYS A 20 3.969 -8.393 14.061 1.00 0.00 H new ATOM 0 HE2 LYS A 20 4.934 -8.607 11.179 1.00 0.00 H new ATOM 0 HE3 LYS A 20 5.911 -8.075 12.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 6.467 -10.261 12.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 5.269 -10.339 13.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 4.895 -10.760 11.932 1.00 0.00 H new ATOM 386 N LEU A 21 2.582 -5.284 10.766 1.00 0.00 N ATOM 387 CA LEU A 21 3.583 -4.244 10.723 1.00 0.00 C ATOM 388 C LEU A 21 4.106 -3.883 12.078 1.00 0.00 C ATOM 389 O LEU A 21 5.305 -3.732 12.257 1.00 0.00 O ATOM 390 CB LEU A 21 3.116 -2.981 9.991 1.00 0.00 C ATOM 391 CG LEU A 21 2.603 -3.174 8.554 1.00 0.00 C ATOM 392 CD1 LEU A 21 3.514 -4.109 7.804 1.00 0.00 C ATOM 393 CD2 LEU A 21 1.159 -3.664 8.499 1.00 0.00 C ATOM 0 H LEU A 21 1.647 -4.974 11.029 1.00 0.00 H new ATOM 0 HA LEU A 21 4.400 -4.679 10.147 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.322 -2.520 10.578 1.00 0.00 H new ATOM 0 HB3 LEU A 21 3.945 -2.274 9.966 1.00 0.00 H new ATOM 0 HG LEU A 21 2.612 -2.195 8.074 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.144 -4.240 6.787 1.00 0.00 H new ATOM 0 HD12 LEU A 21 4.520 -3.690 7.772 1.00 0.00 H new ATOM 0 HD13 LEU A 21 3.539 -5.075 8.308 1.00 0.00 H new ATOM 0 HD21 LEU A 21 0.854 -3.781 7.459 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.081 -4.623 9.011 1.00 0.00 H new ATOM 0 HD23 LEU A 21 0.510 -2.938 8.988 1.00 0.00 H new ATOM 405 N THR A 22 3.195 -3.736 13.019 1.00 0.00 N ATOM 406 CA THR A 22 3.444 -3.263 14.385 1.00 0.00 C ATOM 407 C THR A 22 3.841 -1.763 14.428 1.00 0.00 C ATOM 408 O THR A 22 3.020 -0.910 14.807 1.00 0.00 O ATOM 409 CB THR A 22 4.381 -4.192 15.263 1.00 0.00 C ATOM 410 OG1 THR A 22 5.700 -4.359 14.704 1.00 0.00 O ATOM 411 CG2 THR A 22 3.750 -5.555 15.417 1.00 0.00 C ATOM 0 H THR A 22 2.212 -3.951 12.854 1.00 0.00 H new ATOM 0 HA THR A 22 2.478 -3.345 14.884 1.00 0.00 H new ATOM 0 HB THR A 22 4.490 -3.695 16.227 1.00 0.00 H new ATOM 0 HG1 THR A 22 5.750 -3.898 13.841 1.00 0.00 H new ATOM 0 HG21 THR A 22 4.398 -6.190 16.021 1.00 0.00 H new ATOM 0 HG22 THR A 22 2.781 -5.454 15.907 1.00 0.00 H new ATOM 0 HG23 THR A 22 3.614 -6.006 14.434 1.00 0.00 H new ATOM 419 N GLY A 23 5.041 -1.437 13.995 1.00 0.00 N ATOM 420 CA GLY A 23 5.472 -0.064 13.966 1.00 0.00 C ATOM 421 C GLY A 23 5.660 0.408 12.542 1.00 0.00 C ATOM 422 O GLY A 23 6.582 -0.037 11.865 1.00 0.00 O ATOM 0 H GLY A 23 5.732 -2.108 13.659 1.00 0.00 H new ATOM 0 HA2 GLY A 23 4.736 0.564 14.468 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.408 0.040 14.515 1.00 0.00 H new ATOM 426 N PRO A 24 4.780 1.284 12.034 1.00 0.00 N ATOM 427 CA PRO A 24 4.874 1.776 10.669 1.00 0.00 C ATOM 428 C PRO A 24 6.093 2.670 10.470 1.00 0.00 C ATOM 429 O PRO A 24 6.437 3.493 11.326 1.00 0.00 O ATOM 430 CB PRO A 24 3.585 2.573 10.470 1.00 0.00 C ATOM 431 CG PRO A 24 3.175 2.972 11.837 1.00 0.00 C ATOM 432 CD PRO A 24 3.642 1.876 12.753 1.00 0.00 C ATOM 0 HA PRO A 24 4.989 0.963 9.952 1.00 0.00 H new ATOM 0 HB2 PRO A 24 3.752 3.444 9.836 1.00 0.00 H new ATOM 0 HB3 PRO A 24 2.817 1.970 9.986 1.00 0.00 H new ATOM 0 HG2 PRO A 24 3.622 3.927 12.114 1.00 0.00 H new ATOM 0 HG3 PRO A 24 2.094 3.096 11.898 1.00 0.00 H new ATOM 0 HD2 PRO A 24 3.942 2.267 13.725 1.00 0.00 H new ATOM 0 HD3 PRO A 24 2.856 1.142 12.933 1.00 0.00 H new ATOM 440 N ILE A 25 6.722 2.511 9.362 1.00 0.00 N ATOM 441 CA ILE A 25 7.914 3.262 9.029 1.00 0.00 C ATOM 442 C ILE A 25 7.634 4.139 7.821 1.00 0.00 C ATOM 443 O ILE A 25 6.478 4.247 7.397 1.00 0.00 O ATOM 444 CB ILE A 25 9.103 2.319 8.726 1.00 0.00 C ATOM 445 CG1 ILE A 25 8.776 1.379 7.553 1.00 0.00 C ATOM 446 CG2 ILE A 25 9.472 1.522 9.973 1.00 0.00 C ATOM 447 CD1 ILE A 25 9.939 0.522 7.122 1.00 0.00 C ATOM 0 H ILE A 25 6.433 1.851 8.640 1.00 0.00 H new ATOM 0 HA ILE A 25 8.183 3.881 9.885 1.00 0.00 H new ATOM 0 HB ILE A 25 9.960 2.927 8.435 1.00 0.00 H new ATOM 0 HG12 ILE A 25 7.945 0.733 7.837 1.00 0.00 H new ATOM 0 HG13 ILE A 25 8.440 1.975 6.704 1.00 0.00 H new ATOM 0 HG21 ILE A 25 10.310 0.862 9.748 1.00 0.00 H new ATOM 0 HG22 ILE A 25 9.754 2.207 10.772 1.00 0.00 H new ATOM 0 HG23 ILE A 25 8.616 0.927 10.291 1.00 0.00 H new ATOM 0 HD11 ILE A 25 9.634 -0.114 6.291 1.00 0.00 H new ATOM 0 HD12 ILE A 25 10.764 1.160 6.806 1.00 0.00 H new ATOM 0 HD13 ILE A 25 10.261 -0.101 7.957 1.00 0.00 H new ATOM 459 N GLN A 26 8.655 4.757 7.273 1.00 0.00 N ATOM 460 CA GLN A 26 8.478 5.589 6.103 1.00 0.00 C ATOM 461 C GLN A 26 8.802 4.760 4.871 1.00 0.00 C ATOM 462 O GLN A 26 9.329 3.639 5.002 1.00 0.00 O ATOM 463 CB GLN A 26 9.365 6.854 6.156 1.00 0.00 C ATOM 464 CG GLN A 26 10.864 6.595 6.044 1.00 0.00 C ATOM 465 CD GLN A 26 11.708 7.859 6.082 1.00 0.00 C ATOM 466 OE1 GLN A 26 11.279 8.848 6.817 1.00 0.00 O flip ATOM 467 NE2 GLN A 26 12.773 7.926 5.471 1.00 0.00 N flip ATOM 0 H GLN A 26 9.614 4.700 7.616 1.00 0.00 H new ATOM 0 HA GLN A 26 7.444 5.933 6.066 1.00 0.00 H new ATOM 0 HB2 GLN A 26 9.066 7.523 5.349 1.00 0.00 H new ATOM 0 HB3 GLN A 26 9.171 7.377 7.093 1.00 0.00 H new ATOM 0 HG2 GLN A 26 11.172 5.939 6.858 1.00 0.00 H new ATOM 0 HG3 GLN A 26 11.063 6.064 5.113 1.00 0.00 H new ATOM 0 HE21 GLN A 26 13.086 7.138 4.903 1.00 0.00 H new ATOM 0 HE22 GLN A 26 13.344 8.769 5.532 1.00 0.00 H new ATOM 476 N VAL A 27 8.493 5.292 3.704 1.00 0.00 N ATOM 477 CA VAL A 27 8.749 4.611 2.445 1.00 0.00 C ATOM 478 C VAL A 27 10.225 4.256 2.282 1.00 0.00 C ATOM 479 O VAL A 27 11.111 5.060 2.558 1.00 0.00 O ATOM 480 CB VAL A 27 8.255 5.433 1.213 1.00 0.00 C ATOM 481 CG1 VAL A 27 8.881 6.805 1.161 1.00 0.00 C ATOM 482 CG2 VAL A 27 8.552 4.710 -0.068 1.00 0.00 C ATOM 0 H VAL A 27 8.057 6.208 3.600 1.00 0.00 H new ATOM 0 HA VAL A 27 8.174 3.686 2.481 1.00 0.00 H new ATOM 0 HB VAL A 27 7.177 5.548 1.328 1.00 0.00 H new ATOM 0 HG11 VAL A 27 8.509 7.342 0.288 1.00 0.00 H new ATOM 0 HG12 VAL A 27 8.622 7.357 2.064 1.00 0.00 H new ATOM 0 HG13 VAL A 27 9.965 6.708 1.093 1.00 0.00 H new ATOM 0 HG21 VAL A 27 8.198 5.303 -0.911 1.00 0.00 H new ATOM 0 HG22 VAL A 27 9.627 4.556 -0.158 1.00 0.00 H new ATOM 0 HG23 VAL A 27 8.047 3.744 -0.066 1.00 0.00 H new ATOM 492 N ILE A 28 10.466 3.048 1.871 1.00 0.00 N ATOM 493 CA ILE A 28 11.800 2.568 1.645 1.00 0.00 C ATOM 494 C ILE A 28 12.215 2.865 0.205 1.00 0.00 C ATOM 495 O ILE A 28 13.343 3.267 -0.050 1.00 0.00 O ATOM 496 CB ILE A 28 11.896 1.034 1.924 1.00 0.00 C ATOM 497 CG1 ILE A 28 11.501 0.717 3.377 1.00 0.00 C ATOM 498 CG2 ILE A 28 13.291 0.494 1.622 1.00 0.00 C ATOM 499 CD1 ILE A 28 12.382 1.374 4.430 1.00 0.00 C ATOM 0 H ILE A 28 9.737 2.360 1.681 1.00 0.00 H new ATOM 0 HA ILE A 28 12.474 3.081 2.331 1.00 0.00 H new ATOM 0 HB ILE A 28 11.194 0.537 1.255 1.00 0.00 H new ATOM 0 HG12 ILE A 28 10.470 1.032 3.537 1.00 0.00 H new ATOM 0 HG13 ILE A 28 11.530 -0.363 3.520 1.00 0.00 H new ATOM 0 HG21 ILE A 28 13.319 -0.576 1.828 1.00 0.00 H new ATOM 0 HG22 ILE A 28 13.529 0.668 0.573 1.00 0.00 H new ATOM 0 HG23 ILE A 28 14.022 1.004 2.249 1.00 0.00 H new ATOM 0 HD11 ILE A 28 12.031 1.096 5.424 1.00 0.00 H new ATOM 0 HD12 ILE A 28 13.412 1.040 4.303 1.00 0.00 H new ATOM 0 HD13 ILE A 28 12.335 2.457 4.319 1.00 0.00 H new ATOM 511 N HIS A 29 11.276 2.726 -0.721 1.00 0.00 N ATOM 512 CA HIS A 29 11.539 2.885 -2.161 1.00 0.00 C ATOM 513 C HIS A 29 10.246 3.098 -2.856 1.00 0.00 C ATOM 514 O HIS A 29 9.200 2.676 -2.363 1.00 0.00 O ATOM 515 CB HIS A 29 12.189 1.633 -2.810 1.00 0.00 C ATOM 516 CG HIS A 29 13.622 1.359 -2.458 1.00 0.00 C ATOM 517 ND1 HIS A 29 14.042 0.198 -1.845 1.00 0.00 N ATOM 518 CD2 HIS A 29 14.738 2.088 -2.667 1.00 0.00 C ATOM 519 CE1 HIS A 29 15.345 0.233 -1.695 1.00 0.00 C ATOM 520 NE2 HIS A 29 15.789 1.363 -2.184 1.00 0.00 N ATOM 0 H HIS A 29 10.306 2.499 -0.503 1.00 0.00 H new ATOM 0 HA HIS A 29 12.227 3.724 -2.261 1.00 0.00 H new ATOM 0 HB2 HIS A 29 11.598 0.760 -2.533 1.00 0.00 H new ATOM 0 HB3 HIS A 29 12.118 1.735 -3.893 1.00 0.00 H new ATOM 0 HD2 HIS A 29 14.790 3.062 -3.130 1.00 0.00 H new ATOM 0 HE1 HIS A 29 15.949 -0.540 -1.244 1.00 0.00 H new ATOM 0 HE2 HIS A 29 16.766 1.656 -2.201 1.00 0.00 H new ATOM 529 N LEU A 30 10.295 3.696 -3.984 1.00 0.00 N ATOM 530 CA LEU A 30 9.118 3.900 -4.752 1.00 0.00 C ATOM 531 C LEU A 30 9.081 2.860 -5.828 1.00 0.00 C ATOM 532 O LEU A 30 9.984 2.751 -6.636 1.00 0.00 O ATOM 533 CB LEU A 30 9.022 5.330 -5.331 1.00 0.00 C ATOM 534 CG LEU A 30 8.620 6.475 -4.357 1.00 0.00 C ATOM 535 CD1 LEU A 30 9.556 6.598 -3.169 1.00 0.00 C ATOM 536 CD2 LEU A 30 8.563 7.789 -5.100 1.00 0.00 C ATOM 0 H LEU A 30 11.149 4.060 -4.406 1.00 0.00 H new ATOM 0 HA LEU A 30 8.248 3.798 -4.104 1.00 0.00 H new ATOM 0 HB2 LEU A 30 9.989 5.582 -5.765 1.00 0.00 H new ATOM 0 HB3 LEU A 30 8.300 5.314 -6.148 1.00 0.00 H new ATOM 0 HG LEU A 30 7.636 6.222 -3.963 1.00 0.00 H new ATOM 0 HD11 LEU A 30 9.223 7.413 -2.527 1.00 0.00 H new ATOM 0 HD12 LEU A 30 9.551 5.666 -2.604 1.00 0.00 H new ATOM 0 HD13 LEU A 30 10.567 6.803 -3.522 1.00 0.00 H new ATOM 0 HD21 LEU A 30 8.281 8.585 -4.411 1.00 0.00 H new ATOM 0 HD22 LEU A 30 9.542 8.008 -5.527 1.00 0.00 H new ATOM 0 HD23 LEU A 30 7.825 7.723 -5.900 1.00 0.00 H new ATOM 548 N ALA A 31 8.100 2.048 -5.776 1.00 0.00 N ATOM 549 CA ALA A 31 7.943 1.015 -6.744 1.00 0.00 C ATOM 550 C ALA A 31 7.081 1.484 -7.865 1.00 0.00 C ATOM 551 O ALA A 31 6.294 2.394 -7.725 1.00 0.00 O ATOM 552 CB ALA A 31 7.378 -0.254 -6.139 1.00 0.00 C ATOM 0 H ALA A 31 7.374 2.073 -5.060 1.00 0.00 H new ATOM 0 HA ALA A 31 8.935 0.776 -7.129 1.00 0.00 H new ATOM 0 HB1 ALA A 31 7.276 -1.013 -6.915 1.00 0.00 H new ATOM 0 HB2 ALA A 31 8.051 -0.617 -5.362 1.00 0.00 H new ATOM 0 HB3 ALA A 31 6.400 -0.046 -5.704 1.00 0.00 H new ATOM 558 N LYS A 32 7.242 0.889 -8.960 1.00 0.00 N ATOM 559 CA LYS A 32 6.466 1.183 -10.085 1.00 0.00 C ATOM 560 C LYS A 32 5.532 0.031 -10.261 1.00 0.00 C ATOM 561 O LYS A 32 5.962 -1.122 -10.147 1.00 0.00 O ATOM 562 CB LYS A 32 7.355 1.348 -11.313 1.00 0.00 C ATOM 563 CG LYS A 32 6.610 1.742 -12.570 1.00 0.00 C ATOM 564 CD LYS A 32 7.532 1.746 -13.764 1.00 0.00 C ATOM 565 CE LYS A 32 6.781 2.084 -15.023 1.00 0.00 C ATOM 566 NZ LYS A 32 7.612 1.936 -16.230 1.00 0.00 N ATOM 0 H LYS A 32 7.938 0.159 -9.111 1.00 0.00 H new ATOM 0 HA LYS A 32 5.918 2.117 -9.958 1.00 0.00 H new ATOM 0 HB2 LYS A 32 8.112 2.103 -11.101 1.00 0.00 H new ATOM 0 HB3 LYS A 32 7.882 0.411 -11.495 1.00 0.00 H new ATOM 0 HG2 LYS A 32 5.788 1.048 -12.743 1.00 0.00 H new ATOM 0 HG3 LYS A 32 6.170 2.731 -12.442 1.00 0.00 H new ATOM 0 HD2 LYS A 32 8.332 2.470 -13.608 1.00 0.00 H new ATOM 0 HD3 LYS A 32 8.002 0.768 -13.868 1.00 0.00 H new ATOM 0 HE2 LYS A 32 5.907 1.438 -15.106 1.00 0.00 H new ATOM 0 HE3 LYS A 32 6.415 3.109 -14.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 7.050 2.180 -17.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 8.433 2.571 -16.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 7.940 0.952 -16.307 1.00 0.00 H new ATOM 580 N ALA A 33 4.263 0.309 -10.437 1.00 0.00 N ATOM 581 CA ALA A 33 3.330 -0.741 -10.727 1.00 0.00 C ATOM 582 C ALA A 33 3.684 -1.339 -12.060 1.00 0.00 C ATOM 583 O ALA A 33 3.623 -0.661 -13.083 1.00 0.00 O ATOM 584 CB ALA A 33 1.934 -0.216 -10.768 1.00 0.00 C ATOM 0 H ALA A 33 3.860 1.245 -10.384 1.00 0.00 H new ATOM 0 HA ALA A 33 3.385 -1.496 -9.943 1.00 0.00 H new ATOM 0 HB1 ALA A 33 1.245 -1.031 -10.990 1.00 0.00 H new ATOM 0 HB2 ALA A 33 1.681 0.220 -9.802 1.00 0.00 H new ATOM 0 HB3 ALA A 33 1.855 0.547 -11.543 1.00 0.00 H new ATOM 590 N CYS A 34 4.060 -2.581 -12.035 1.00 0.00 N ATOM 591 CA CYS A 34 4.492 -3.301 -13.214 1.00 0.00 C ATOM 592 C CYS A 34 3.274 -3.753 -14.029 1.00 0.00 C ATOM 593 O CYS A 34 3.395 -4.173 -15.188 1.00 0.00 O ATOM 594 CB CYS A 34 5.344 -4.507 -12.774 1.00 0.00 C ATOM 595 SG CYS A 34 6.110 -5.456 -14.099 1.00 0.00 S ATOM 0 H CYS A 34 4.079 -3.141 -11.183 1.00 0.00 H new ATOM 0 HA CYS A 34 5.095 -2.653 -13.850 1.00 0.00 H new ATOM 0 HB2 CYS A 34 6.130 -4.148 -12.109 1.00 0.00 H new ATOM 0 HB3 CYS A 34 4.714 -5.178 -12.190 1.00 0.00 H new ATOM 0 HG CYS A 34 7.304 -4.996 -14.328 1.00 0.00 H new ATOM 601 N CYS A 35 2.106 -3.648 -13.433 1.00 0.00 N ATOM 602 CA CYS A 35 0.885 -4.048 -14.074 1.00 0.00 C ATOM 603 C CYS A 35 -0.287 -3.346 -13.415 1.00 0.00 C ATOM 604 O CYS A 35 -0.107 -2.666 -12.410 1.00 0.00 O ATOM 605 CB CYS A 35 0.732 -5.568 -13.987 1.00 0.00 C ATOM 606 SG CYS A 35 0.869 -6.223 -12.312 1.00 0.00 S ATOM 0 H CYS A 35 1.983 -3.282 -12.489 1.00 0.00 H new ATOM 0 HA CYS A 35 0.910 -3.765 -15.126 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -0.237 -5.850 -14.398 1.00 0.00 H new ATOM 0 HB3 CYS A 35 1.492 -6.036 -14.613 1.00 0.00 H new ATOM 0 HG CYS A 35 1.739 -5.526 -11.643 1.00 0.00 H new ATOM 612 N ASP A 36 -1.448 -3.481 -13.998 1.00 0.00 N ATOM 613 CA ASP A 36 -2.672 -2.905 -13.460 1.00 0.00 C ATOM 614 C ASP A 36 -3.546 -3.984 -12.843 1.00 0.00 C ATOM 615 O ASP A 36 -4.112 -4.828 -13.532 1.00 0.00 O ATOM 616 CB ASP A 36 -3.462 -2.077 -14.511 1.00 0.00 C ATOM 617 CG ASP A 36 -3.981 -2.853 -15.716 1.00 0.00 C ATOM 618 OD1 ASP A 36 -3.220 -3.018 -16.699 1.00 0.00 O ATOM 619 OD2 ASP A 36 -5.170 -3.278 -15.724 1.00 0.00 O ATOM 0 H ASP A 36 -1.582 -3.997 -14.868 1.00 0.00 H new ATOM 0 HA ASP A 36 -2.375 -2.205 -12.679 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -4.310 -1.608 -14.013 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -2.819 -1.273 -14.870 1.00 0.00 H new ATOM 624 N VAL A 37 -3.560 -4.017 -11.558 1.00 0.00 N ATOM 625 CA VAL A 37 -4.359 -4.972 -10.806 1.00 0.00 C ATOM 626 C VAL A 37 -5.442 -4.196 -10.003 1.00 0.00 C ATOM 627 O VAL A 37 -5.274 -2.989 -9.749 1.00 0.00 O ATOM 628 CB VAL A 37 -3.440 -5.812 -9.881 1.00 0.00 C ATOM 629 CG1 VAL A 37 -2.884 -4.985 -8.787 1.00 0.00 C ATOM 630 CG2 VAL A 37 -4.108 -7.049 -9.343 1.00 0.00 C ATOM 0 H VAL A 37 -3.017 -3.382 -10.974 1.00 0.00 H new ATOM 0 HA VAL A 37 -4.863 -5.666 -11.479 1.00 0.00 H new ATOM 0 HB VAL A 37 -2.616 -6.159 -10.505 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -2.244 -5.600 -8.155 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -2.299 -4.168 -9.210 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -3.699 -4.576 -8.190 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -3.411 -7.590 -8.704 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -4.986 -6.765 -8.763 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -4.412 -7.688 -10.172 1.00 0.00 H new ATOM 640 N LYS A 38 -6.525 -4.849 -9.592 1.00 0.00 N ATOM 641 CA LYS A 38 -7.551 -4.144 -8.834 1.00 0.00 C ATOM 642 C LYS A 38 -7.655 -4.627 -7.380 1.00 0.00 C ATOM 643 O LYS A 38 -8.614 -4.299 -6.674 1.00 0.00 O ATOM 644 CB LYS A 38 -8.951 -4.089 -9.528 1.00 0.00 C ATOM 645 CG LYS A 38 -9.646 -5.419 -9.853 1.00 0.00 C ATOM 646 CD LYS A 38 -9.108 -6.069 -11.120 1.00 0.00 C ATOM 647 CE LYS A 38 -9.879 -7.336 -11.458 1.00 0.00 C ATOM 648 NZ LYS A 38 -9.411 -7.955 -12.712 1.00 0.00 N ATOM 0 H LYS A 38 -6.712 -5.837 -9.765 1.00 0.00 H new ATOM 0 HA LYS A 38 -7.201 -3.112 -8.811 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -9.618 -3.511 -8.889 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -8.841 -3.533 -10.459 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -9.519 -6.105 -9.015 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -10.717 -5.247 -9.964 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -9.177 -5.366 -11.950 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -8.052 -6.306 -10.990 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -9.776 -8.051 -10.641 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -10.940 -7.102 -11.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -9.964 -8.815 -12.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -9.533 -7.284 -13.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -8.405 -8.204 -12.622 1.00 0.00 H new ATOM 662 N GLY A 39 -6.633 -5.310 -6.908 1.00 0.00 N ATOM 663 CA GLY A 39 -6.624 -5.749 -5.521 1.00 0.00 C ATOM 664 C GLY A 39 -7.380 -7.042 -5.265 1.00 0.00 C ATOM 665 O GLY A 39 -8.360 -7.057 -4.515 1.00 0.00 O ATOM 0 H GLY A 39 -5.809 -5.572 -7.450 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -5.590 -5.878 -5.200 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -7.054 -4.962 -4.901 1.00 0.00 H new ATOM 669 N GLY A 40 -6.975 -8.105 -5.900 1.00 0.00 N ATOM 670 CA GLY A 40 -7.633 -9.381 -5.700 1.00 0.00 C ATOM 671 C GLY A 40 -6.846 -10.246 -4.745 1.00 0.00 C ATOM 672 O GLY A 40 -5.613 -10.166 -4.725 1.00 0.00 O ATOM 0 H GLY A 40 -6.197 -8.122 -6.559 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -8.637 -9.220 -5.308 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -7.742 -9.893 -6.656 1.00 0.00 H new ATOM 676 N LYS A 41 -7.556 -11.058 -3.933 1.00 0.00 N ATOM 677 CA LYS A 41 -6.936 -11.942 -2.923 1.00 0.00 C ATOM 678 C LYS A 41 -6.226 -11.102 -1.877 1.00 0.00 C ATOM 679 O LYS A 41 -5.212 -11.518 -1.296 1.00 0.00 O ATOM 680 CB LYS A 41 -5.975 -12.951 -3.582 1.00 0.00 C ATOM 681 CG LYS A 41 -6.673 -13.963 -4.470 1.00 0.00 C ATOM 682 CD LYS A 41 -5.677 -14.842 -5.195 1.00 0.00 C ATOM 683 CE LYS A 41 -6.380 -15.903 -6.024 1.00 0.00 C ATOM 684 NZ LYS A 41 -7.056 -16.930 -5.185 1.00 0.00 N ATOM 0 H LYS A 41 -8.574 -11.119 -3.959 1.00 0.00 H new ATOM 0 HA LYS A 41 -7.719 -12.521 -2.432 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -5.240 -12.406 -4.174 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -5.427 -13.481 -2.803 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -7.336 -14.583 -3.866 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -7.297 -13.443 -5.196 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -5.050 -14.228 -5.842 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -5.017 -15.321 -4.472 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -7.116 -15.425 -6.670 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -5.654 -16.391 -6.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -7.373 -17.716 -5.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -6.390 -17.288 -4.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -7.878 -16.505 -4.710 1.00 0.00 H new ATOM 698 N ASN A 42 -6.824 -9.939 -1.610 1.00 0.00 N ATOM 699 CA ASN A 42 -6.303 -8.935 -0.700 1.00 0.00 C ATOM 700 C ASN A 42 -5.010 -8.392 -1.243 1.00 0.00 C ATOM 701 O ASN A 42 -3.922 -8.876 -0.920 1.00 0.00 O ATOM 702 CB ASN A 42 -6.139 -9.449 0.756 1.00 0.00 C ATOM 703 CG ASN A 42 -7.445 -9.900 1.401 1.00 0.00 C ATOM 704 OD1 ASN A 42 -8.540 -9.236 1.086 1.00 0.00 O flip ATOM 705 ND2 ASN A 42 -7.456 -10.817 2.228 1.00 0.00 N flip ATOM 0 H ASN A 42 -7.710 -9.669 -2.037 1.00 0.00 H new ATOM 0 HA ASN A 42 -7.038 -8.133 -0.639 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -5.436 -10.282 0.760 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -5.699 -8.658 1.363 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -6.593 -11.313 2.451 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -8.328 -11.079 2.688 1.00 0.00 H new ATOM 712 N GLU A 43 -5.131 -7.453 -2.142 1.00 0.00 N ATOM 713 CA GLU A 43 -3.987 -6.855 -2.745 1.00 0.00 C ATOM 714 C GLU A 43 -4.262 -5.361 -2.902 1.00 0.00 C ATOM 715 O GLU A 43 -5.316 -4.873 -2.471 1.00 0.00 O ATOM 716 CB GLU A 43 -3.676 -7.527 -4.099 1.00 0.00 C ATOM 717 CG GLU A 43 -2.210 -7.433 -4.524 1.00 0.00 C ATOM 718 CD GLU A 43 -1.898 -8.284 -5.725 1.00 0.00 C ATOM 719 OE1 GLU A 43 -2.001 -9.524 -5.620 1.00 0.00 O ATOM 720 OE2 GLU A 43 -1.498 -7.749 -6.771 1.00 0.00 O ATOM 0 H GLU A 43 -6.024 -7.087 -2.471 1.00 0.00 H new ATOM 0 HA GLU A 43 -3.107 -6.994 -2.118 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -3.960 -8.578 -4.044 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -4.296 -7.069 -4.870 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -1.966 -6.394 -4.747 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -1.575 -7.738 -3.693 1.00 0.00 H new ATOM 727 N LEU A 44 -3.345 -4.661 -3.496 1.00 0.00 N ATOM 728 CA LEU A 44 -3.472 -3.259 -3.727 1.00 0.00 C ATOM 729 C LEU A 44 -4.004 -3.045 -5.129 1.00 0.00 C ATOM 730 O LEU A 44 -3.734 -3.830 -6.024 1.00 0.00 O ATOM 731 CB LEU A 44 -2.063 -2.655 -3.637 1.00 0.00 C ATOM 732 CG LEU A 44 -1.940 -1.149 -3.775 1.00 0.00 C ATOM 733 CD1 LEU A 44 -2.656 -0.467 -2.651 1.00 0.00 C ATOM 734 CD2 LEU A 44 -0.486 -0.745 -3.789 1.00 0.00 C ATOM 0 H LEU A 44 -2.471 -5.058 -3.840 1.00 0.00 H new ATOM 0 HA LEU A 44 -4.145 -2.799 -3.003 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -1.634 -2.942 -2.677 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -1.449 -3.116 -4.411 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.397 -0.844 -4.717 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.561 0.613 -2.761 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.711 -0.742 -2.671 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.219 -0.775 -1.701 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -0.410 0.338 -3.888 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -0.012 -1.058 -2.858 1.00 0.00 H new ATOM 0 HD23 LEU A 44 0.016 -1.223 -4.630 1.00 0.00 H new ATOM 746 N SER A 45 -4.802 -2.038 -5.288 1.00 0.00 N ATOM 747 CA SER A 45 -5.342 -1.694 -6.567 1.00 0.00 C ATOM 748 C SER A 45 -4.447 -0.626 -7.181 1.00 0.00 C ATOM 749 O SER A 45 -4.263 0.445 -6.593 1.00 0.00 O ATOM 750 CB SER A 45 -6.755 -1.155 -6.376 1.00 0.00 C ATOM 751 OG SER A 45 -7.517 -2.021 -5.527 1.00 0.00 O ATOM 0 H SER A 45 -5.100 -1.426 -4.529 1.00 0.00 H new ATOM 0 HA SER A 45 -5.383 -2.563 -7.224 1.00 0.00 H new ATOM 0 HB2 SER A 45 -6.713 -0.156 -5.941 1.00 0.00 H new ATOM 0 HB3 SER A 45 -7.248 -1.061 -7.344 1.00 0.00 H new ATOM 0 HG SER A 45 -7.966 -2.701 -6.072 1.00 0.00 H new ATOM 757 N PHE A 46 -3.869 -0.913 -8.319 1.00 0.00 N ATOM 758 CA PHE A 46 -2.963 0.017 -8.952 1.00 0.00 C ATOM 759 C PHE A 46 -2.920 -0.167 -10.444 1.00 0.00 C ATOM 760 O PHE A 46 -3.275 -1.222 -10.954 1.00 0.00 O ATOM 761 CB PHE A 46 -1.559 -0.071 -8.351 1.00 0.00 C ATOM 762 CG PHE A 46 -0.985 -1.464 -8.257 1.00 0.00 C ATOM 763 CD1 PHE A 46 -0.337 -2.045 -9.323 1.00 0.00 C ATOM 764 CD2 PHE A 46 -1.069 -2.170 -7.078 1.00 0.00 C ATOM 765 CE1 PHE A 46 0.215 -3.300 -9.220 1.00 0.00 C ATOM 766 CE2 PHE A 46 -0.520 -3.419 -6.964 1.00 0.00 C ATOM 767 CZ PHE A 46 0.125 -3.987 -8.034 1.00 0.00 C ATOM 0 H PHE A 46 -4.009 -1.785 -8.829 1.00 0.00 H new ATOM 0 HA PHE A 46 -3.350 1.017 -8.757 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -0.886 0.542 -8.950 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -1.581 0.363 -7.352 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -0.261 -1.506 -10.256 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -1.575 -1.732 -6.231 1.00 0.00 H new ATOM 0 HE1 PHE A 46 0.717 -3.743 -10.067 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -0.595 -3.958 -6.031 1.00 0.00 H new ATOM 0 HZ PHE A 46 0.560 -4.971 -7.944 1.00 0.00 H new ATOM 777 N LYS A 47 -2.512 0.863 -11.124 1.00 0.00 N ATOM 778 CA LYS A 47 -2.384 0.849 -12.559 1.00 0.00 C ATOM 779 C LYS A 47 -0.932 0.832 -12.947 1.00 0.00 C ATOM 780 O LYS A 47 -0.106 1.380 -12.239 1.00 0.00 O ATOM 781 CB LYS A 47 -3.073 2.065 -13.173 1.00 0.00 C ATOM 782 CG LYS A 47 -4.588 1.995 -13.183 1.00 0.00 C ATOM 783 CD LYS A 47 -5.068 0.952 -14.173 1.00 0.00 C ATOM 784 CE LYS A 47 -6.580 0.858 -14.238 1.00 0.00 C ATOM 785 NZ LYS A 47 -7.167 0.328 -12.996 1.00 0.00 N ATOM 0 H LYS A 47 -2.254 1.752 -10.695 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.866 -0.051 -12.939 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -2.767 2.955 -12.623 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -2.721 2.186 -14.198 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -4.953 1.752 -12.185 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -5.001 2.969 -13.444 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -4.680 1.191 -15.163 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -4.659 -0.020 -13.897 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -6.994 1.846 -14.438 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -6.865 0.218 -15.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -8.194 0.220 -13.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -6.745 -0.597 -12.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -6.977 0.987 -12.214 1.00 0.00 H new ATOM 799 N GLN A 48 -0.634 0.173 -14.044 1.00 0.00 N ATOM 800 CA GLN A 48 0.723 0.088 -14.608 1.00 0.00 C ATOM 801 C GLN A 48 1.353 1.498 -14.685 1.00 0.00 C ATOM 802 O GLN A 48 0.810 2.411 -15.318 1.00 0.00 O ATOM 803 CB GLN A 48 0.626 -0.604 -15.998 1.00 0.00 C ATOM 804 CG GLN A 48 1.932 -0.990 -16.741 1.00 0.00 C ATOM 805 CD GLN A 48 2.693 0.175 -17.367 1.00 0.00 C ATOM 806 OE1 GLN A 48 2.402 0.569 -18.493 1.00 0.00 O ATOM 807 NE2 GLN A 48 3.738 0.628 -16.728 1.00 0.00 N ATOM 0 H GLN A 48 -1.331 -0.333 -14.590 1.00 0.00 H new ATOM 0 HA GLN A 48 1.378 -0.508 -13.972 1.00 0.00 H new ATOM 0 HB2 GLN A 48 0.038 -1.513 -15.872 1.00 0.00 H new ATOM 0 HB3 GLN A 48 0.057 0.055 -16.654 1.00 0.00 H new ATOM 0 HG2 GLN A 48 2.593 -1.500 -16.040 1.00 0.00 H new ATOM 0 HG3 GLN A 48 1.687 -1.706 -17.525 1.00 0.00 H new ATOM 0 HE21 GLN A 48 3.954 0.281 -15.793 1.00 0.00 H new ATOM 0 HE22 GLN A 48 4.338 1.328 -17.164 1.00 0.00 H new ATOM 816 N GLY A 49 2.457 1.668 -13.969 1.00 0.00 N ATOM 817 CA GLY A 49 3.172 2.932 -13.936 1.00 0.00 C ATOM 818 C GLY A 49 2.566 3.961 -12.986 1.00 0.00 C ATOM 819 O GLY A 49 2.882 5.135 -13.073 1.00 0.00 O ATOM 0 H GLY A 49 2.879 0.935 -13.398 1.00 0.00 H new ATOM 0 HA2 GLY A 49 4.205 2.746 -13.643 1.00 0.00 H new ATOM 0 HA3 GLY A 49 3.196 3.351 -14.942 1.00 0.00 H new ATOM 823 N GLU A 50 1.698 3.522 -12.083 1.00 0.00 N ATOM 824 CA GLU A 50 1.034 4.436 -11.136 1.00 0.00 C ATOM 825 C GLU A 50 2.014 4.997 -10.121 1.00 0.00 C ATOM 826 O GLU A 50 1.862 6.133 -9.666 1.00 0.00 O ATOM 827 CB GLU A 50 -0.052 3.711 -10.359 1.00 0.00 C ATOM 828 CG GLU A 50 -1.005 4.653 -9.660 1.00 0.00 C ATOM 829 CD GLU A 50 -2.045 3.944 -8.866 1.00 0.00 C ATOM 830 OE1 GLU A 50 -2.901 3.268 -9.472 1.00 0.00 O ATOM 831 OE2 GLU A 50 -2.063 4.096 -7.628 1.00 0.00 O ATOM 0 H GLU A 50 1.432 2.543 -11.979 1.00 0.00 H new ATOM 0 HA GLU A 50 0.611 5.244 -11.733 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -0.615 3.073 -11.040 1.00 0.00 H new ATOM 0 HB3 GLU A 50 0.412 3.057 -9.620 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -0.439 5.311 -9.001 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -1.491 5.286 -10.402 1.00 0.00 H new ATOM 838 N GLN A 51 2.993 4.173 -9.779 1.00 0.00 N ATOM 839 CA GLN A 51 3.990 4.442 -8.735 1.00 0.00 C ATOM 840 C GLN A 51 3.400 4.155 -7.355 1.00 0.00 C ATOM 841 O GLN A 51 2.350 4.685 -6.969 1.00 0.00 O ATOM 842 CB GLN A 51 4.637 5.840 -8.833 1.00 0.00 C ATOM 843 CG GLN A 51 5.619 6.161 -7.722 1.00 0.00 C ATOM 844 CD GLN A 51 6.260 7.511 -7.908 1.00 0.00 C ATOM 845 OE1 GLN A 51 5.738 8.539 -7.441 1.00 0.00 O ATOM 846 NE2 GLN A 51 7.386 7.532 -8.558 1.00 0.00 N ATOM 0 H GLN A 51 3.126 3.268 -10.230 1.00 0.00 H new ATOM 0 HA GLN A 51 4.820 3.755 -8.900 1.00 0.00 H new ATOM 0 HB2 GLN A 51 5.152 5.921 -9.790 1.00 0.00 H new ATOM 0 HB3 GLN A 51 3.848 6.592 -8.831 1.00 0.00 H new ATOM 0 HG2 GLN A 51 5.102 6.134 -6.763 1.00 0.00 H new ATOM 0 HG3 GLN A 51 6.393 5.394 -7.689 1.00 0.00 H new ATOM 0 HE21 GLN A 51 7.779 6.665 -8.925 1.00 0.00 H new ATOM 0 HE22 GLN A 51 7.876 8.415 -8.701 1.00 0.00 H new ATOM 855 N ILE A 52 4.054 3.276 -6.670 1.00 0.00 N ATOM 856 CA ILE A 52 3.650 2.767 -5.389 1.00 0.00 C ATOM 857 C ILE A 52 4.820 2.980 -4.442 1.00 0.00 C ATOM 858 O ILE A 52 5.913 3.224 -4.898 1.00 0.00 O ATOM 859 CB ILE A 52 3.376 1.236 -5.534 1.00 0.00 C ATOM 860 CG1 ILE A 52 2.447 0.992 -6.737 1.00 0.00 C ATOM 861 CG2 ILE A 52 2.820 0.613 -4.254 1.00 0.00 C ATOM 862 CD1 ILE A 52 1.794 -0.350 -6.765 1.00 0.00 C ATOM 0 H ILE A 52 4.929 2.869 -7.000 1.00 0.00 H new ATOM 0 HA ILE A 52 2.754 3.264 -5.019 1.00 0.00 H new ATOM 0 HB ILE A 52 4.329 0.738 -5.713 1.00 0.00 H new ATOM 0 HG12 ILE A 52 1.671 1.758 -6.739 1.00 0.00 H new ATOM 0 HG13 ILE A 52 3.023 1.119 -7.654 1.00 0.00 H new ATOM 0 HG21 ILE A 52 2.648 -0.452 -4.412 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.535 0.749 -3.443 1.00 0.00 H new ATOM 0 HG23 ILE A 52 1.879 1.097 -3.993 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.160 -0.428 -7.648 1.00 0.00 H new ATOM 0 HD12 ILE A 52 2.559 -1.126 -6.798 1.00 0.00 H new ATOM 0 HD13 ILE A 52 1.186 -0.478 -5.869 1.00 0.00 H new ATOM 874 N GLU A 53 4.616 2.936 -3.171 1.00 0.00 N ATOM 875 CA GLU A 53 5.733 3.043 -2.270 1.00 0.00 C ATOM 876 C GLU A 53 5.860 1.760 -1.487 1.00 0.00 C ATOM 877 O GLU A 53 4.858 1.230 -1.011 1.00 0.00 O ATOM 878 CB GLU A 53 5.556 4.174 -1.301 1.00 0.00 C ATOM 879 CG GLU A 53 5.182 5.512 -1.907 1.00 0.00 C ATOM 880 CD GLU A 53 5.038 6.566 -0.846 1.00 0.00 C ATOM 881 OE1 GLU A 53 4.118 6.456 0.000 1.00 0.00 O ATOM 882 OE2 GLU A 53 5.843 7.512 -0.816 1.00 0.00 O ATOM 0 H GLU A 53 3.704 2.829 -2.727 1.00 0.00 H new ATOM 0 HA GLU A 53 6.627 3.231 -2.865 1.00 0.00 H new ATOM 0 HB2 GLU A 53 4.786 3.894 -0.583 1.00 0.00 H new ATOM 0 HB3 GLU A 53 6.484 4.297 -0.742 1.00 0.00 H new ATOM 0 HG2 GLU A 53 5.945 5.816 -2.624 1.00 0.00 H new ATOM 0 HG3 GLU A 53 4.246 5.416 -2.458 1.00 0.00 H new ATOM 889 N ILE A 54 7.058 1.249 -1.361 1.00 0.00 N ATOM 890 CA ILE A 54 7.274 0.048 -0.589 1.00 0.00 C ATOM 891 C ILE A 54 7.641 0.430 0.847 1.00 0.00 C ATOM 892 O ILE A 54 8.527 1.269 1.076 1.00 0.00 O ATOM 893 CB ILE A 54 8.362 -0.910 -1.223 1.00 0.00 C ATOM 894 CG1 ILE A 54 8.480 -2.202 -0.438 1.00 0.00 C ATOM 895 CG2 ILE A 54 9.718 -0.264 -1.333 1.00 0.00 C ATOM 896 CD1 ILE A 54 7.256 -3.048 -0.503 1.00 0.00 C ATOM 0 H ILE A 54 7.899 1.644 -1.782 1.00 0.00 H new ATOM 0 HA ILE A 54 6.344 -0.521 -0.592 1.00 0.00 H new ATOM 0 HB ILE A 54 8.015 -1.128 -2.233 1.00 0.00 H new ATOM 0 HG12 ILE A 54 9.328 -2.773 -0.817 1.00 0.00 H new ATOM 0 HG13 ILE A 54 8.695 -1.967 0.604 1.00 0.00 H new ATOM 0 HG21 ILE A 54 10.422 -0.969 -1.775 1.00 0.00 H new ATOM 0 HG22 ILE A 54 9.649 0.623 -1.963 1.00 0.00 H new ATOM 0 HG23 ILE A 54 10.066 0.023 -0.341 1.00 0.00 H new ATOM 0 HD11 ILE A 54 7.410 -3.956 0.080 1.00 0.00 H new ATOM 0 HD12 ILE A 54 6.409 -2.495 -0.097 1.00 0.00 H new ATOM 0 HD13 ILE A 54 7.052 -3.313 -1.540 1.00 0.00 H new ATOM 908 N ILE A 55 6.927 -0.124 1.793 1.00 0.00 N ATOM 909 CA ILE A 55 7.192 0.141 3.194 1.00 0.00 C ATOM 910 C ILE A 55 7.756 -1.069 3.919 1.00 0.00 C ATOM 911 O ILE A 55 8.846 -1.011 4.480 1.00 0.00 O ATOM 912 CB ILE A 55 5.987 0.756 3.998 1.00 0.00 C ATOM 913 CG1 ILE A 55 4.607 0.146 3.601 1.00 0.00 C ATOM 914 CG2 ILE A 55 5.981 2.277 3.891 1.00 0.00 C ATOM 915 CD1 ILE A 55 3.981 0.725 2.340 1.00 0.00 C ATOM 0 H ILE A 55 6.152 -0.766 1.623 1.00 0.00 H new ATOM 0 HA ILE A 55 7.955 0.919 3.165 1.00 0.00 H new ATOM 0 HB ILE A 55 6.141 0.486 5.043 1.00 0.00 H new ATOM 0 HG12 ILE A 55 4.728 -0.929 3.467 1.00 0.00 H new ATOM 0 HG13 ILE A 55 3.913 0.288 4.430 1.00 0.00 H new ATOM 0 HG21 ILE A 55 5.139 2.678 4.455 1.00 0.00 H new ATOM 0 HG22 ILE A 55 6.912 2.674 4.297 1.00 0.00 H new ATOM 0 HG23 ILE A 55 5.888 2.568 2.845 1.00 0.00 H new ATOM 0 HD11 ILE A 55 3.026 0.235 2.150 1.00 0.00 H new ATOM 0 HD12 ILE A 55 3.821 1.795 2.472 1.00 0.00 H new ATOM 0 HD13 ILE A 55 4.648 0.560 1.494 1.00 0.00 H new ATOM 927 N ARG A 56 7.059 -2.176 3.894 1.00 0.00 N ATOM 928 CA ARG A 56 7.551 -3.318 4.603 1.00 0.00 C ATOM 929 C ARG A 56 7.858 -4.430 3.621 1.00 0.00 C ATOM 930 O ARG A 56 7.004 -4.833 2.824 1.00 0.00 O ATOM 931 CB ARG A 56 6.565 -3.813 5.671 1.00 0.00 C ATOM 932 CG ARG A 56 7.143 -4.874 6.631 1.00 0.00 C ATOM 933 CD ARG A 56 7.737 -4.320 7.937 1.00 0.00 C ATOM 934 NE ARG A 56 8.996 -3.569 7.777 1.00 0.00 N ATOM 935 CZ ARG A 56 9.561 -2.813 8.746 1.00 0.00 C ATOM 936 NH1 ARG A 56 8.862 -2.426 9.792 1.00 0.00 N ATOM 937 NH2 ARG A 56 10.802 -2.386 8.617 1.00 0.00 N ATOM 0 H ARG A 56 6.174 -2.306 3.404 1.00 0.00 H new ATOM 0 HA ARG A 56 8.461 -3.018 5.123 1.00 0.00 H new ATOM 0 HB2 ARG A 56 6.224 -2.959 6.256 1.00 0.00 H new ATOM 0 HB3 ARG A 56 5.689 -4.230 5.174 1.00 0.00 H new ATOM 0 HG2 ARG A 56 6.354 -5.583 6.881 1.00 0.00 H new ATOM 0 HG3 ARG A 56 7.918 -5.432 6.106 1.00 0.00 H new ATOM 0 HD2 ARG A 56 7.000 -3.669 8.407 1.00 0.00 H new ATOM 0 HD3 ARG A 56 7.911 -5.151 8.621 1.00 0.00 H new ATOM 0 HE ARG A 56 9.472 -3.623 6.877 1.00 0.00 H new ATOM 0 HH11 ARG A 56 7.882 -2.696 9.879 1.00 0.00 H new ATOM 0 HH12 ARG A 56 9.300 -1.856 10.516 1.00 0.00 H new ATOM 0 HH21 ARG A 56 11.340 -2.626 7.784 1.00 0.00 H new ATOM 0 HH22 ARG A 56 11.224 -1.816 9.350 1.00 0.00 H new ATOM 951 N ILE A 57 9.077 -4.850 3.643 1.00 0.00 N ATOM 952 CA ILE A 57 9.560 -5.980 2.868 1.00 0.00 C ATOM 953 C ILE A 57 10.069 -7.040 3.810 1.00 0.00 C ATOM 954 O ILE A 57 10.051 -8.237 3.509 1.00 0.00 O ATOM 955 CB ILE A 57 10.710 -5.629 1.835 1.00 0.00 C ATOM 956 CG1 ILE A 57 11.771 -4.651 2.389 1.00 0.00 C ATOM 957 CG2 ILE A 57 10.156 -5.121 0.527 1.00 0.00 C ATOM 958 CD1 ILE A 57 11.290 -3.214 2.485 1.00 0.00 C ATOM 0 H ILE A 57 9.801 -4.413 4.214 1.00 0.00 H new ATOM 0 HA ILE A 57 8.710 -6.324 2.278 1.00 0.00 H new ATOM 0 HB ILE A 57 11.223 -6.574 1.654 1.00 0.00 H new ATOM 0 HG12 ILE A 57 12.080 -4.988 3.379 1.00 0.00 H new ATOM 0 HG13 ILE A 57 12.653 -4.687 1.750 1.00 0.00 H new ATOM 0 HG21 ILE A 57 10.978 -4.892 -0.152 1.00 0.00 H new ATOM 0 HG22 ILE A 57 9.518 -5.884 0.081 1.00 0.00 H new ATOM 0 HG23 ILE A 57 9.571 -4.219 0.706 1.00 0.00 H new ATOM 0 HD11 ILE A 57 12.090 -2.588 2.882 1.00 0.00 H new ATOM 0 HD12 ILE A 57 11.008 -2.858 1.494 1.00 0.00 H new ATOM 0 HD13 ILE A 57 10.426 -3.163 3.148 1.00 0.00 H new ATOM 970 N THR A 58 10.495 -6.605 4.961 1.00 0.00 N ATOM 971 CA THR A 58 11.063 -7.465 5.933 1.00 0.00 C ATOM 972 C THR A 58 9.991 -8.108 6.800 1.00 0.00 C ATOM 973 O THR A 58 9.026 -7.446 7.210 1.00 0.00 O ATOM 974 CB THR A 58 12.058 -6.669 6.783 1.00 0.00 C ATOM 975 OG1 THR A 58 11.420 -5.478 7.267 1.00 0.00 O ATOM 976 CG2 THR A 58 13.254 -6.275 5.947 1.00 0.00 C ATOM 0 H THR A 58 10.452 -5.626 5.245 1.00 0.00 H new ATOM 0 HA THR A 58 11.588 -8.276 5.428 1.00 0.00 H new ATOM 0 HB THR A 58 12.386 -7.288 7.618 1.00 0.00 H new ATOM 0 HG1 THR A 58 12.053 -4.967 7.813 1.00 0.00 H new ATOM 0 HG21 THR A 58 13.956 -5.709 6.560 1.00 0.00 H new ATOM 0 HG22 THR A 58 13.744 -7.172 5.568 1.00 0.00 H new ATOM 0 HG23 THR A 58 12.926 -5.659 5.110 1.00 0.00 H new ATOM 984 N ASP A 59 10.157 -9.402 7.036 1.00 0.00 N ATOM 985 CA ASP A 59 9.273 -10.219 7.886 1.00 0.00 C ATOM 986 C ASP A 59 7.895 -10.365 7.255 1.00 0.00 C ATOM 987 O ASP A 59 6.881 -10.468 7.929 1.00 0.00 O ATOM 988 CB ASP A 59 9.189 -9.661 9.329 1.00 0.00 C ATOM 989 CG ASP A 59 8.513 -10.618 10.306 1.00 0.00 C ATOM 990 OD1 ASP A 59 8.719 -11.847 10.192 1.00 0.00 O ATOM 991 OD2 ASP A 59 7.779 -10.161 11.211 1.00 0.00 O ATOM 0 H ASP A 59 10.928 -9.936 6.635 1.00 0.00 H new ATOM 0 HA ASP A 59 9.710 -11.215 7.959 1.00 0.00 H new ATOM 0 HB2 ASP A 59 10.195 -9.440 9.685 1.00 0.00 H new ATOM 0 HB3 ASP A 59 8.641 -8.719 9.316 1.00 0.00 H new ATOM 996 N ASN A 60 7.876 -10.410 5.945 1.00 0.00 N ATOM 997 CA ASN A 60 6.640 -10.628 5.216 1.00 0.00 C ATOM 998 C ASN A 60 6.135 -12.052 5.488 1.00 0.00 C ATOM 999 O ASN A 60 6.905 -13.012 5.415 1.00 0.00 O ATOM 1000 CB ASN A 60 6.798 -10.366 3.695 1.00 0.00 C ATOM 1001 CG ASN A 60 7.833 -11.234 2.998 1.00 0.00 C ATOM 1002 OD1 ASN A 60 7.541 -12.341 2.574 1.00 0.00 O ATOM 1003 ND2 ASN A 60 9.023 -10.721 2.818 1.00 0.00 N ATOM 0 H ASN A 60 8.702 -10.299 5.357 1.00 0.00 H new ATOM 0 HA ASN A 60 5.902 -9.909 5.572 1.00 0.00 H new ATOM 0 HB2 ASN A 60 5.833 -10.520 3.213 1.00 0.00 H new ATOM 0 HB3 ASN A 60 7.065 -9.319 3.548 1.00 0.00 H new ATOM 0 HD21 ASN A 60 9.735 -11.248 2.312 1.00 0.00 H new ATOM 0 HD22 ASN A 60 9.239 -9.794 3.183 1.00 0.00 H new ATOM 1010 N PRO A 61 4.871 -12.205 5.885 1.00 0.00 N ATOM 1011 CA PRO A 61 4.318 -13.512 6.220 1.00 0.00 C ATOM 1012 C PRO A 61 3.826 -14.315 5.008 1.00 0.00 C ATOM 1013 O PRO A 61 3.843 -15.538 5.027 1.00 0.00 O ATOM 1014 CB PRO A 61 3.150 -13.164 7.142 1.00 0.00 C ATOM 1015 CG PRO A 61 2.685 -11.821 6.682 1.00 0.00 C ATOM 1016 CD PRO A 61 3.893 -11.115 6.112 1.00 0.00 C ATOM 0 HA PRO A 61 5.075 -14.157 6.666 1.00 0.00 H new ATOM 0 HB2 PRO A 61 2.354 -13.905 7.068 1.00 0.00 H new ATOM 0 HB3 PRO A 61 3.464 -13.137 8.185 1.00 0.00 H new ATOM 0 HG2 PRO A 61 1.903 -11.919 5.929 1.00 0.00 H new ATOM 0 HG3 PRO A 61 2.260 -11.254 7.510 1.00 0.00 H new ATOM 0 HD2 PRO A 61 3.651 -10.596 5.184 1.00 0.00 H new ATOM 0 HD3 PRO A 61 4.282 -10.367 6.804 1.00 0.00 H new ATOM 1024 N GLU A 62 3.420 -13.633 3.949 1.00 0.00 N ATOM 1025 CA GLU A 62 2.810 -14.316 2.811 1.00 0.00 C ATOM 1026 C GLU A 62 3.715 -14.329 1.593 1.00 0.00 C ATOM 1027 O GLU A 62 3.384 -14.931 0.568 1.00 0.00 O ATOM 1028 CB GLU A 62 1.492 -13.648 2.451 1.00 0.00 C ATOM 1029 CG GLU A 62 0.464 -13.661 3.557 1.00 0.00 C ATOM 1030 CD GLU A 62 0.089 -15.058 3.957 1.00 0.00 C ATOM 1031 OE1 GLU A 62 -0.807 -15.645 3.320 1.00 0.00 O ATOM 1032 OE2 GLU A 62 0.673 -15.606 4.906 1.00 0.00 O ATOM 0 H GLU A 62 3.498 -12.621 3.850 1.00 0.00 H new ATOM 0 HA GLU A 62 2.640 -15.350 3.111 1.00 0.00 H new ATOM 0 HB2 GLU A 62 1.688 -12.614 2.166 1.00 0.00 H new ATOM 0 HB3 GLU A 62 1.073 -14.146 1.576 1.00 0.00 H new ATOM 0 HG2 GLU A 62 0.856 -13.128 4.423 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -0.427 -13.125 3.230 1.00 0.00 H new ATOM 1039 N GLY A 63 4.817 -13.648 1.680 1.00 0.00 N ATOM 1040 CA GLY A 63 5.730 -13.584 0.564 1.00 0.00 C ATOM 1041 C GLY A 63 5.566 -12.304 -0.221 1.00 0.00 C ATOM 1042 O GLY A 63 6.456 -11.903 -0.964 1.00 0.00 O ATOM 0 H GLY A 63 5.111 -13.128 2.507 1.00 0.00 H new ATOM 0 HA2 GLY A 63 6.755 -13.659 0.928 1.00 0.00 H new ATOM 0 HA3 GLY A 63 5.562 -14.437 -0.093 1.00 0.00 H new ATOM 1046 N LYS A 64 4.434 -11.656 -0.043 1.00 0.00 N ATOM 1047 CA LYS A 64 4.141 -10.430 -0.750 1.00 0.00 C ATOM 1048 C LYS A 64 4.719 -9.235 0.017 1.00 0.00 C ATOM 1049 O LYS A 64 5.014 -9.352 1.207 1.00 0.00 O ATOM 1050 CB LYS A 64 2.613 -10.284 -1.006 1.00 0.00 C ATOM 1051 CG LYS A 64 1.729 -10.039 0.220 1.00 0.00 C ATOM 1052 CD LYS A 64 0.646 -11.105 0.356 1.00 0.00 C ATOM 1053 CE LYS A 64 -0.281 -11.205 -0.863 1.00 0.00 C ATOM 1054 NZ LYS A 64 -1.230 -10.071 -0.993 1.00 0.00 N ATOM 0 H LYS A 64 3.697 -11.963 0.592 1.00 0.00 H new ATOM 0 HA LYS A 64 4.618 -10.460 -1.729 1.00 0.00 H new ATOM 0 HB2 LYS A 64 2.462 -9.460 -1.704 1.00 0.00 H new ATOM 0 HB3 LYS A 64 2.263 -11.190 -1.502 1.00 0.00 H new ATOM 0 HG2 LYS A 64 2.346 -10.031 1.118 1.00 0.00 H new ATOM 0 HG3 LYS A 64 1.265 -9.056 0.143 1.00 0.00 H new ATOM 0 HD2 LYS A 64 1.120 -12.073 0.520 1.00 0.00 H new ATOM 0 HD3 LYS A 64 0.046 -10.890 1.240 1.00 0.00 H new ATOM 0 HE2 LYS A 64 0.327 -11.262 -1.766 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -0.847 -12.134 -0.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -1.574 -10.017 -1.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -2.035 -10.216 -0.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -0.747 -9.184 -0.747 1.00 0.00 H new ATOM 1068 N TRP A 65 4.870 -8.120 -0.659 1.00 0.00 N ATOM 1069 CA TRP A 65 5.460 -6.900 -0.092 1.00 0.00 C ATOM 1070 C TRP A 65 4.364 -5.959 0.335 1.00 0.00 C ATOM 1071 O TRP A 65 3.245 -6.128 -0.061 1.00 0.00 O ATOM 1072 CB TRP A 65 6.326 -6.201 -1.143 1.00 0.00 C ATOM 1073 CG TRP A 65 7.639 -6.856 -1.430 1.00 0.00 C ATOM 1074 CD1 TRP A 65 8.320 -7.722 -0.623 1.00 0.00 C ATOM 1075 CD2 TRP A 65 8.457 -6.670 -2.602 1.00 0.00 C ATOM 1076 NE1 TRP A 65 9.497 -8.094 -1.221 1.00 0.00 N ATOM 1077 CE2 TRP A 65 9.605 -7.468 -2.435 1.00 0.00 C ATOM 1078 CE3 TRP A 65 8.328 -5.916 -3.780 1.00 0.00 C ATOM 1079 CZ2 TRP A 65 10.613 -7.535 -3.392 1.00 0.00 C ATOM 1080 CZ3 TRP A 65 9.334 -5.988 -4.726 1.00 0.00 C ATOM 1081 CH2 TRP A 65 10.459 -6.791 -4.526 1.00 0.00 C ATOM 0 H TRP A 65 4.587 -8.019 -1.634 1.00 0.00 H new ATOM 0 HA TRP A 65 6.073 -7.173 0.767 1.00 0.00 H new ATOM 0 HB2 TRP A 65 5.760 -6.138 -2.072 1.00 0.00 H new ATOM 0 HB3 TRP A 65 6.513 -5.179 -0.814 1.00 0.00 H new ATOM 0 HD1 TRP A 65 7.982 -8.064 0.344 1.00 0.00 H new ATOM 0 HE1 TRP A 65 10.184 -8.736 -0.824 1.00 0.00 H new ATOM 0 HE3 TRP A 65 7.461 -5.293 -3.944 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 11.486 -8.153 -3.243 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 9.248 -5.413 -5.636 1.00 0.00 H new ATOM 0 HH2 TRP A 65 11.225 -6.824 -5.286 1.00 0.00 H new ATOM 1092 N LEU A 66 4.664 -4.982 1.148 1.00 0.00 N ATOM 1093 CA LEU A 66 3.648 -4.028 1.521 1.00 0.00 C ATOM 1094 C LEU A 66 3.857 -2.737 0.780 1.00 0.00 C ATOM 1095 O LEU A 66 4.811 -2.005 1.052 1.00 0.00 O ATOM 1096 CB LEU A 66 3.598 -3.770 3.029 1.00 0.00 C ATOM 1097 CG LEU A 66 2.493 -2.799 3.480 1.00 0.00 C ATOM 1098 CD1 LEU A 66 1.136 -3.325 3.116 1.00 0.00 C ATOM 1099 CD2 LEU A 66 2.552 -2.556 4.953 1.00 0.00 C ATOM 0 H LEU A 66 5.584 -4.824 1.559 1.00 0.00 H new ATOM 0 HA LEU A 66 2.687 -4.462 1.244 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.458 -4.722 3.542 1.00 0.00 H new ATOM 0 HB3 LEU A 66 4.562 -3.375 3.348 1.00 0.00 H new ATOM 0 HG LEU A 66 2.662 -1.855 2.961 1.00 0.00 H new ATOM 0 HD11 LEU A 66 0.372 -2.621 3.446 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.072 -3.450 2.035 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.976 -4.287 3.603 1.00 0.00 H new ATOM 0 HD21 LEU A 66 1.759 -1.866 5.240 1.00 0.00 H new ATOM 0 HD22 LEU A 66 2.422 -3.500 5.483 1.00 0.00 H new ATOM 0 HD23 LEU A 66 3.519 -2.125 5.212 1.00 0.00 H new ATOM 1111 N GLY A 67 2.983 -2.473 -0.150 1.00 0.00 N ATOM 1112 CA GLY A 67 3.064 -1.283 -0.929 1.00 0.00 C ATOM 1113 C GLY A 67 1.898 -0.384 -0.659 1.00 0.00 C ATOM 1114 O GLY A 67 0.778 -0.872 -0.408 1.00 0.00 O ATOM 0 H GLY A 67 2.197 -3.080 -0.385 1.00 0.00 H new ATOM 0 HA2 GLY A 67 3.992 -0.758 -0.702 1.00 0.00 H new ATOM 0 HA3 GLY A 67 3.093 -1.539 -1.988 1.00 0.00 H new ATOM 1118 N ARG A 68 2.145 0.900 -0.689 1.00 0.00 N ATOM 1119 CA ARG A 68 1.129 1.893 -0.473 1.00 0.00 C ATOM 1120 C ARG A 68 0.926 2.722 -1.724 1.00 0.00 C ATOM 1121 O ARG A 68 1.859 2.972 -2.480 1.00 0.00 O ATOM 1122 CB ARG A 68 1.479 2.806 0.726 1.00 0.00 C ATOM 1123 CG ARG A 68 0.415 3.852 1.088 1.00 0.00 C ATOM 1124 CD ARG A 68 0.863 4.819 2.177 1.00 0.00 C ATOM 1125 NE ARG A 68 1.816 5.847 1.712 1.00 0.00 N ATOM 1126 CZ ARG A 68 1.905 7.102 2.228 1.00 0.00 C ATOM 1127 NH1 ARG A 68 1.168 7.455 3.278 1.00 0.00 N ATOM 1128 NH2 ARG A 68 2.760 7.965 1.708 1.00 0.00 N ATOM 0 H ARG A 68 3.071 1.289 -0.867 1.00 0.00 H new ATOM 0 HA ARG A 68 0.200 1.374 -0.239 1.00 0.00 H new ATOM 0 HB2 ARG A 68 1.659 2.178 1.599 1.00 0.00 H new ATOM 0 HB3 ARG A 68 2.413 3.323 0.507 1.00 0.00 H new ATOM 0 HG2 ARG A 68 0.154 4.419 0.194 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -0.490 3.340 1.416 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -0.015 5.314 2.593 1.00 0.00 H new ATOM 0 HD3 ARG A 68 1.323 4.251 2.986 1.00 0.00 H new ATOM 0 HE ARG A 68 2.450 5.599 0.953 1.00 0.00 H new ATOM 0 HH11 ARG A 68 0.530 6.782 3.703 1.00 0.00 H new ATOM 0 HH12 ARG A 68 1.241 8.399 3.658 1.00 0.00 H new ATOM 0 HH21 ARG A 68 3.350 7.689 0.923 1.00 0.00 H new ATOM 0 HH22 ARG A 68 2.830 8.907 2.092 1.00 0.00 H new ATOM 1142 N THR A 69 -0.267 3.166 -1.883 1.00 0.00 N ATOM 1143 CA THR A 69 -0.671 4.013 -2.978 1.00 0.00 C ATOM 1144 C THR A 69 -0.652 5.444 -2.439 1.00 0.00 C ATOM 1145 O THR A 69 -0.732 5.624 -1.228 1.00 0.00 O ATOM 1146 CB THR A 69 -2.126 3.620 -3.407 1.00 0.00 C ATOM 1147 OG1 THR A 69 -2.150 2.273 -3.867 1.00 0.00 O ATOM 1148 CG2 THR A 69 -2.686 4.507 -4.495 1.00 0.00 C ATOM 0 H THR A 69 -1.027 2.950 -1.238 1.00 0.00 H new ATOM 0 HA THR A 69 -0.015 3.912 -3.843 1.00 0.00 H new ATOM 0 HB THR A 69 -2.749 3.745 -2.521 1.00 0.00 H new ATOM 0 HG1 THR A 69 -3.073 2.014 -4.071 1.00 0.00 H new ATOM 0 HG21 THR A 69 -3.696 4.182 -4.746 1.00 0.00 H new ATOM 0 HG22 THR A 69 -2.714 5.539 -4.145 1.00 0.00 H new ATOM 0 HG23 THR A 69 -2.053 4.441 -5.380 1.00 0.00 H new ATOM 1156 N ALA A 70 -0.515 6.439 -3.315 1.00 0.00 N ATOM 1157 CA ALA A 70 -0.431 7.863 -2.926 1.00 0.00 C ATOM 1158 C ALA A 70 -1.554 8.292 -1.960 1.00 0.00 C ATOM 1159 O ALA A 70 -1.343 9.120 -1.083 1.00 0.00 O ATOM 1160 CB ALA A 70 -0.440 8.742 -4.166 1.00 0.00 C ATOM 0 H ALA A 70 -0.458 6.288 -4.322 1.00 0.00 H new ATOM 0 HA ALA A 70 0.509 7.990 -2.388 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -0.378 9.789 -3.870 1.00 0.00 H new ATOM 0 HB2 ALA A 70 0.414 8.492 -4.796 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -1.362 8.576 -4.723 1.00 0.00 H new ATOM 1166 N ARG A 71 -2.723 7.709 -2.119 1.00 0.00 N ATOM 1167 CA ARG A 71 -3.882 8.005 -1.270 1.00 0.00 C ATOM 1168 C ARG A 71 -3.819 7.273 0.088 1.00 0.00 C ATOM 1169 O ARG A 71 -4.703 7.429 0.916 1.00 0.00 O ATOM 1170 CB ARG A 71 -5.147 7.590 -1.998 1.00 0.00 C ATOM 1171 CG ARG A 71 -5.209 6.097 -2.267 1.00 0.00 C ATOM 1172 CD ARG A 71 -6.431 5.715 -3.050 1.00 0.00 C ATOM 1173 NE ARG A 71 -6.444 6.312 -4.385 1.00 0.00 N ATOM 1174 CZ ARG A 71 -7.468 6.223 -5.242 1.00 0.00 C ATOM 1175 NH1 ARG A 71 -8.555 5.510 -4.919 1.00 0.00 N ATOM 1176 NH2 ARG A 71 -7.392 6.808 -6.428 1.00 0.00 N ATOM 0 H ARG A 71 -2.908 7.012 -2.841 1.00 0.00 H new ATOM 0 HA ARG A 71 -3.879 9.076 -1.068 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -6.014 7.884 -1.407 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -5.209 8.128 -2.944 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -4.318 5.790 -2.814 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -5.203 5.558 -1.320 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -6.478 4.630 -3.139 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -7.322 6.029 -2.505 1.00 0.00 H new ATOM 0 HE ARG A 71 -5.618 6.831 -4.683 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -8.603 5.034 -4.018 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -9.334 5.443 -5.574 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -6.553 7.326 -6.688 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -8.173 6.740 -7.081 1.00 0.00 H new ATOM 1190 N GLY A 72 -2.789 6.474 0.291 1.00 0.00 N ATOM 1191 CA GLY A 72 -2.650 5.713 1.513 1.00 0.00 C ATOM 1192 C GLY A 72 -3.556 4.513 1.513 1.00 0.00 C ATOM 1193 O GLY A 72 -4.675 4.560 1.999 1.00 0.00 O ATOM 0 H GLY A 72 -2.033 6.336 -0.380 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -1.615 5.390 1.628 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -2.883 6.348 2.368 1.00 0.00 H new ATOM 1197 N SER A 73 -3.072 3.458 0.950 1.00 0.00 N ATOM 1198 CA SER A 73 -3.755 2.253 0.789 1.00 0.00 C ATOM 1199 C SER A 73 -2.653 1.280 0.760 1.00 0.00 C ATOM 1200 O SER A 73 -1.691 1.476 0.030 1.00 0.00 O ATOM 1201 CB SER A 73 -4.504 2.214 -0.529 1.00 0.00 C ATOM 1202 OG SER A 73 -5.291 3.383 -0.705 1.00 0.00 O ATOM 0 H SER A 73 -2.126 3.430 0.571 1.00 0.00 H new ATOM 0 HA SER A 73 -4.501 2.076 1.563 1.00 0.00 H new ATOM 0 HB2 SER A 73 -3.794 2.122 -1.351 1.00 0.00 H new ATOM 0 HB3 SER A 73 -5.144 1.333 -0.561 1.00 0.00 H new ATOM 0 HG SER A 73 -5.763 3.334 -1.563 1.00 0.00 H new ATOM 1208 N TYR A 74 -2.735 0.342 1.541 1.00 0.00 N ATOM 1209 CA TYR A 74 -1.711 -0.610 1.710 1.00 0.00 C ATOM 1210 C TYR A 74 -2.264 -1.934 1.253 1.00 0.00 C ATOM 1211 O TYR A 74 -3.028 -2.565 1.960 1.00 0.00 O ATOM 1212 CB TYR A 74 -1.409 -0.676 3.172 1.00 0.00 C ATOM 1213 CG TYR A 74 -0.707 0.487 3.826 1.00 0.00 C ATOM 1214 CD1 TYR A 74 -1.435 1.547 4.345 1.00 0.00 C ATOM 1215 CD2 TYR A 74 0.664 0.495 3.989 1.00 0.00 C ATOM 1216 CE1 TYR A 74 -0.815 2.581 5.003 1.00 0.00 C ATOM 1217 CE2 TYR A 74 1.297 1.534 4.640 1.00 0.00 C ATOM 1218 CZ TYR A 74 0.551 2.571 5.148 1.00 0.00 C ATOM 1219 OH TYR A 74 1.173 3.600 5.825 1.00 0.00 O ATOM 0 H TYR A 74 -3.551 0.176 2.130 1.00 0.00 H new ATOM 0 HA TYR A 74 -0.810 -0.360 1.150 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -2.352 -0.828 3.696 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -0.802 -1.565 3.343 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -2.509 1.560 4.230 1.00 0.00 H new ATOM 0 HD2 TYR A 74 1.250 -0.325 3.601 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -1.398 3.397 5.404 1.00 0.00 H new ATOM 0 HE2 TYR A 74 2.371 1.533 4.750 1.00 0.00 H new ATOM 0 HH TYR A 74 2.140 3.444 5.841 1.00 0.00 H new ATOM 1229 N GLY A 75 -1.938 -2.329 0.072 1.00 0.00 N ATOM 1230 CA GLY A 75 -2.550 -3.505 -0.443 1.00 0.00 C ATOM 1231 C GLY A 75 -1.721 -4.721 -0.409 1.00 0.00 C ATOM 1232 O GLY A 75 -2.155 -5.726 -0.871 1.00 0.00 O ATOM 0 H GLY A 75 -1.268 -1.869 -0.544 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -3.464 -3.694 0.121 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -2.845 -3.317 -1.475 1.00 0.00 H new ATOM 1236 N TYR A 76 -0.547 -4.649 0.176 1.00 0.00 N ATOM 1237 CA TYR A 76 0.351 -5.818 0.254 1.00 0.00 C ATOM 1238 C TYR A 76 0.475 -6.564 -1.081 1.00 0.00 C ATOM 1239 O TYR A 76 -0.107 -7.631 -1.315 1.00 0.00 O ATOM 1240 CB TYR A 76 0.121 -6.733 1.513 1.00 0.00 C ATOM 1241 CG TYR A 76 -1.274 -6.633 2.097 1.00 0.00 C ATOM 1242 CD1 TYR A 76 -2.302 -7.449 1.666 1.00 0.00 C ATOM 1243 CD2 TYR A 76 -1.566 -5.657 3.039 1.00 0.00 C ATOM 1244 CE1 TYR A 76 -3.582 -7.291 2.152 1.00 0.00 C ATOM 1245 CE2 TYR A 76 -2.828 -5.505 3.534 1.00 0.00 C ATOM 1246 CZ TYR A 76 -3.840 -6.316 3.088 1.00 0.00 C ATOM 1247 OH TYR A 76 -5.127 -6.141 3.570 1.00 0.00 O ATOM 0 H TYR A 76 -0.177 -3.803 0.609 1.00 0.00 H new ATOM 0 HA TYR A 76 1.346 -5.411 0.435 1.00 0.00 H new ATOM 0 HB2 TYR A 76 0.316 -7.769 1.237 1.00 0.00 H new ATOM 0 HB3 TYR A 76 0.846 -6.466 2.282 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -2.100 -8.221 0.938 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -0.779 -5.005 3.387 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -4.379 -7.929 1.800 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -3.030 -4.747 4.276 1.00 0.00 H new ATOM 0 HH TYR A 76 -5.673 -6.921 3.337 1.00 0.00 H new ATOM 1257 N ILE A 77 1.224 -5.928 -1.931 1.00 0.00 N ATOM 1258 CA ILE A 77 1.455 -6.278 -3.290 1.00 0.00 C ATOM 1259 C ILE A 77 2.094 -7.566 -3.444 1.00 0.00 C ATOM 1260 O ILE A 77 3.025 -7.909 -2.720 1.00 0.00 O ATOM 1261 CB ILE A 77 2.426 -5.299 -3.958 1.00 0.00 C ATOM 1262 CG1 ILE A 77 3.479 -4.789 -2.956 1.00 0.00 C ATOM 1263 CG2 ILE A 77 1.720 -4.177 -4.646 1.00 0.00 C ATOM 1264 CD1 ILE A 77 4.482 -3.841 -3.535 1.00 0.00 C ATOM 0 H ILE A 77 1.728 -5.082 -1.664 1.00 0.00 H new ATOM 0 HA ILE A 77 0.462 -6.272 -3.739 1.00 0.00 H new ATOM 0 HB ILE A 77 2.952 -5.851 -4.737 1.00 0.00 H new ATOM 0 HG12 ILE A 77 2.967 -4.295 -2.130 1.00 0.00 H new ATOM 0 HG13 ILE A 77 4.008 -5.645 -2.537 1.00 0.00 H new ATOM 0 HG21 ILE A 77 2.453 -3.512 -5.103 1.00 0.00 H new ATOM 0 HG22 ILE A 77 1.064 -4.579 -5.418 1.00 0.00 H new ATOM 0 HG23 ILE A 77 1.128 -3.620 -3.920 1.00 0.00 H new ATOM 0 HD11 ILE A 77 5.183 -3.534 -2.759 1.00 0.00 H new ATOM 0 HD12 ILE A 77 5.026 -4.334 -4.341 1.00 0.00 H new ATOM 0 HD13 ILE A 77 3.969 -2.963 -3.928 1.00 0.00 H new ATOM 1276 N LYS A 78 1.672 -8.254 -4.423 1.00 0.00 N ATOM 1277 CA LYS A 78 2.384 -9.350 -4.816 1.00 0.00 C ATOM 1278 C LYS A 78 3.544 -8.746 -5.599 1.00 0.00 C ATOM 1279 O LYS A 78 3.366 -7.984 -6.532 1.00 0.00 O ATOM 1280 CB LYS A 78 1.549 -10.340 -5.634 1.00 0.00 C ATOM 1281 CG LYS A 78 1.076 -9.794 -6.926 1.00 0.00 C ATOM 1282 CD LYS A 78 0.380 -10.844 -7.769 1.00 0.00 C ATOM 1283 CE LYS A 78 -0.148 -10.260 -9.063 1.00 0.00 C ATOM 1284 NZ LYS A 78 -1.276 -9.328 -8.851 1.00 0.00 N ATOM 0 H LYS A 78 0.827 -8.060 -4.960 1.00 0.00 H new ATOM 0 HA LYS A 78 2.721 -9.960 -3.978 1.00 0.00 H new ATOM 0 HB2 LYS A 78 2.144 -11.234 -5.823 1.00 0.00 H new ATOM 0 HB3 LYS A 78 0.687 -10.650 -5.043 1.00 0.00 H new ATOM 0 HG2 LYS A 78 0.391 -8.967 -6.740 1.00 0.00 H new ATOM 0 HG3 LYS A 78 1.923 -9.389 -7.479 1.00 0.00 H new ATOM 0 HD2 LYS A 78 1.076 -11.653 -7.991 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -0.444 -11.279 -7.203 1.00 0.00 H new ATOM 0 HE2 LYS A 78 0.659 -9.737 -9.576 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -0.470 -11.070 -9.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -1.455 -8.794 -9.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -2.128 -9.867 -8.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -1.040 -8.666 -8.084 1.00 0.00 H new ATOM 1298 N THR A 79 4.644 -8.946 -5.053 1.00 0.00 N ATOM 1299 CA THR A 79 5.972 -8.494 -5.501 1.00 0.00 C ATOM 1300 C THR A 79 6.138 -8.487 -7.036 1.00 0.00 C ATOM 1301 O THR A 79 6.704 -7.559 -7.594 1.00 0.00 O ATOM 1302 CB THR A 79 7.065 -9.429 -4.891 1.00 0.00 C ATOM 1303 OG1 THR A 79 6.998 -10.745 -5.466 1.00 0.00 O ATOM 1304 CG2 THR A 79 6.866 -9.585 -3.403 1.00 0.00 C ATOM 0 H THR A 79 4.706 -9.481 -4.187 1.00 0.00 H new ATOM 0 HA THR A 79 6.080 -7.465 -5.159 1.00 0.00 H new ATOM 0 HB THR A 79 8.029 -8.968 -5.106 1.00 0.00 H new ATOM 0 HG1 THR A 79 7.693 -11.311 -5.070 1.00 0.00 H new ATOM 0 HG21 THR A 79 7.638 -10.240 -2.999 1.00 0.00 H new ATOM 0 HG22 THR A 79 6.931 -8.609 -2.923 1.00 0.00 H new ATOM 0 HG23 THR A 79 5.885 -10.019 -3.211 1.00 0.00 H new ATOM 1312 N THR A 80 5.588 -9.481 -7.691 1.00 0.00 N ATOM 1313 CA THR A 80 5.655 -9.621 -9.127 1.00 0.00 C ATOM 1314 C THR A 80 4.865 -8.493 -9.852 1.00 0.00 C ATOM 1315 O THR A 80 5.130 -8.172 -11.021 1.00 0.00 O ATOM 1316 CB THR A 80 5.110 -11.020 -9.531 1.00 0.00 C ATOM 1317 OG1 THR A 80 5.190 -11.234 -10.946 1.00 0.00 O ATOM 1318 CG2 THR A 80 3.683 -11.197 -9.049 1.00 0.00 C ATOM 0 H THR A 80 5.071 -10.231 -7.232 1.00 0.00 H new ATOM 0 HA THR A 80 6.696 -9.531 -9.436 1.00 0.00 H new ATOM 0 HB THR A 80 5.740 -11.767 -9.048 1.00 0.00 H new ATOM 0 HG1 THR A 80 4.840 -12.123 -11.163 1.00 0.00 H new ATOM 0 HG21 THR A 80 3.320 -12.182 -9.342 1.00 0.00 H new ATOM 0 HG22 THR A 80 3.652 -11.106 -7.963 1.00 0.00 H new ATOM 0 HG23 THR A 80 3.050 -10.430 -9.495 1.00 0.00 H new ATOM 1326 N ALA A 81 3.951 -7.850 -9.141 1.00 0.00 N ATOM 1327 CA ALA A 81 3.096 -6.861 -9.728 1.00 0.00 C ATOM 1328 C ALA A 81 3.747 -5.496 -9.721 1.00 0.00 C ATOM 1329 O ALA A 81 3.205 -4.545 -10.291 1.00 0.00 O ATOM 1330 CB ALA A 81 1.761 -6.829 -9.013 1.00 0.00 C ATOM 0 H ALA A 81 3.791 -8.007 -8.146 1.00 0.00 H new ATOM 0 HA ALA A 81 2.925 -7.135 -10.769 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.122 -6.073 -9.469 1.00 0.00 H new ATOM 0 HB2 ALA A 81 1.282 -7.805 -9.092 1.00 0.00 H new ATOM 0 HB3 ALA A 81 1.917 -6.586 -7.962 1.00 0.00 H new ATOM 1336 N VAL A 82 4.902 -5.388 -9.094 1.00 0.00 N ATOM 1337 CA VAL A 82 5.636 -4.136 -9.059 1.00 0.00 C ATOM 1338 C VAL A 82 7.099 -4.362 -9.320 1.00 0.00 C ATOM 1339 O VAL A 82 7.580 -5.494 -9.332 1.00 0.00 O ATOM 1340 CB VAL A 82 5.515 -3.376 -7.706 1.00 0.00 C ATOM 1341 CG1 VAL A 82 4.095 -2.913 -7.436 1.00 0.00 C ATOM 1342 CG2 VAL A 82 6.038 -4.228 -6.559 1.00 0.00 C ATOM 0 H VAL A 82 5.355 -6.156 -8.599 1.00 0.00 H new ATOM 0 HA VAL A 82 5.182 -3.526 -9.840 1.00 0.00 H new ATOM 0 HB VAL A 82 6.134 -2.482 -7.781 1.00 0.00 H new ATOM 0 HG11 VAL A 82 4.059 -2.388 -6.482 1.00 0.00 H new ATOM 0 HG12 VAL A 82 3.774 -2.241 -8.232 1.00 0.00 H new ATOM 0 HG13 VAL A 82 3.431 -3.777 -7.400 1.00 0.00 H new ATOM 0 HG21 VAL A 82 5.943 -3.676 -5.624 1.00 0.00 H new ATOM 0 HG22 VAL A 82 5.459 -5.150 -6.497 1.00 0.00 H new ATOM 0 HG23 VAL A 82 7.087 -4.469 -6.734 1.00 0.00 H new ATOM 1352 N GLU A 83 7.771 -3.284 -9.549 1.00 0.00 N ATOM 1353 CA GLU A 83 9.195 -3.233 -9.670 1.00 0.00 C ATOM 1354 C GLU A 83 9.641 -2.059 -8.837 1.00 0.00 C ATOM 1355 O GLU A 83 9.236 -0.923 -9.106 1.00 0.00 O ATOM 1356 CB GLU A 83 9.593 -3.031 -11.125 1.00 0.00 C ATOM 1357 CG GLU A 83 9.223 -4.198 -12.033 1.00 0.00 C ATOM 1358 CD GLU A 83 9.547 -3.949 -13.476 1.00 0.00 C ATOM 1359 OE1 GLU A 83 10.740 -3.840 -13.821 1.00 0.00 O ATOM 1360 OE2 GLU A 83 8.608 -3.892 -14.306 1.00 0.00 O ATOM 0 H GLU A 83 7.326 -2.373 -9.662 1.00 0.00 H new ATOM 0 HA GLU A 83 9.659 -4.160 -9.333 1.00 0.00 H new ATOM 0 HB2 GLU A 83 9.115 -2.126 -11.500 1.00 0.00 H new ATOM 0 HB3 GLU A 83 10.670 -2.869 -11.178 1.00 0.00 H new ATOM 0 HG2 GLU A 83 9.749 -5.092 -11.698 1.00 0.00 H new ATOM 0 HG3 GLU A 83 8.156 -4.401 -11.937 1.00 0.00 H new ATOM 1367 N ILE A 84 10.397 -2.305 -7.803 1.00 0.00 N ATOM 1368 CA ILE A 84 10.808 -1.233 -6.924 1.00 0.00 C ATOM 1369 C ILE A 84 11.995 -0.500 -7.509 1.00 0.00 C ATOM 1370 O ILE A 84 12.831 -1.103 -8.194 1.00 0.00 O ATOM 1371 CB ILE A 84 11.077 -1.714 -5.439 1.00 0.00 C ATOM 1372 CG1 ILE A 84 12.287 -2.642 -5.314 1.00 0.00 C ATOM 1373 CG2 ILE A 84 9.851 -2.384 -4.847 1.00 0.00 C ATOM 1374 CD1 ILE A 84 13.579 -1.926 -4.996 1.00 0.00 C ATOM 0 H ILE A 84 10.742 -3.230 -7.545 1.00 0.00 H new ATOM 0 HA ILE A 84 9.974 -0.535 -6.853 1.00 0.00 H new ATOM 0 HB ILE A 84 11.304 -0.810 -4.874 1.00 0.00 H new ATOM 0 HG12 ILE A 84 12.089 -3.377 -4.534 1.00 0.00 H new ATOM 0 HG13 ILE A 84 12.408 -3.192 -6.247 1.00 0.00 H new ATOM 0 HG21 ILE A 84 10.067 -2.703 -3.827 1.00 0.00 H new ATOM 0 HG22 ILE A 84 9.020 -1.679 -4.838 1.00 0.00 H new ATOM 0 HG23 ILE A 84 9.584 -3.252 -5.450 1.00 0.00 H new ATOM 0 HD11 ILE A 84 14.389 -2.652 -4.924 1.00 0.00 H new ATOM 0 HD12 ILE A 84 13.803 -1.210 -5.787 1.00 0.00 H new ATOM 0 HD13 ILE A 84 13.479 -1.399 -4.047 1.00 0.00 H new ATOM 1386 N ASP A 85 12.030 0.791 -7.314 1.00 0.00 N ATOM 1387 CA ASP A 85 13.163 1.589 -7.743 1.00 0.00 C ATOM 1388 C ASP A 85 14.327 1.266 -6.863 1.00 0.00 C ATOM 1389 O ASP A 85 14.263 1.439 -5.642 1.00 0.00 O ATOM 1390 CB ASP A 85 12.849 3.089 -7.696 1.00 0.00 C ATOM 1391 CG ASP A 85 14.059 3.967 -7.951 1.00 0.00 C ATOM 1392 OD1 ASP A 85 14.570 3.999 -9.097 1.00 0.00 O ATOM 1393 OD2 ASP A 85 14.512 4.658 -7.007 1.00 0.00 O ATOM 0 H ASP A 85 11.286 1.321 -6.859 1.00 0.00 H new ATOM 0 HA ASP A 85 13.398 1.349 -8.780 1.00 0.00 H new ATOM 0 HB2 ASP A 85 12.083 3.315 -8.437 1.00 0.00 H new ATOM 0 HB3 ASP A 85 12.431 3.334 -6.720 1.00 0.00 H new ATOM 1398 N TYR A 86 15.350 0.742 -7.461 1.00 0.00 N ATOM 1399 CA TYR A 86 16.511 0.331 -6.738 1.00 0.00 C ATOM 1400 C TYR A 86 17.347 1.530 -6.376 1.00 0.00 C ATOM 1401 O TYR A 86 17.275 2.555 -7.052 1.00 0.00 O ATOM 1402 CB TYR A 86 17.313 -0.714 -7.535 1.00 0.00 C ATOM 1403 CG TYR A 86 16.555 -2.012 -7.737 1.00 0.00 C ATOM 1404 CD1 TYR A 86 16.559 -2.990 -6.755 1.00 0.00 C ATOM 1405 CD2 TYR A 86 15.823 -2.251 -8.894 1.00 0.00 C ATOM 1406 CE1 TYR A 86 15.852 -4.165 -6.910 1.00 0.00 C ATOM 1407 CE2 TYR A 86 15.115 -3.430 -9.060 1.00 0.00 C ATOM 1408 CZ TYR A 86 15.133 -4.381 -8.061 1.00 0.00 C ATOM 1409 OH TYR A 86 14.416 -5.552 -8.206 1.00 0.00 O ATOM 0 H TYR A 86 15.403 0.587 -8.468 1.00 0.00 H new ATOM 0 HA TYR A 86 16.199 -0.149 -5.810 1.00 0.00 H new ATOM 0 HB2 TYR A 86 17.576 -0.298 -8.507 1.00 0.00 H new ATOM 0 HB3 TYR A 86 18.247 -0.922 -7.014 1.00 0.00 H new ATOM 0 HD1 TYR A 86 17.127 -2.829 -5.850 1.00 0.00 H new ATOM 0 HD2 TYR A 86 15.806 -1.506 -9.676 1.00 0.00 H new ATOM 0 HE1 TYR A 86 15.864 -4.912 -6.130 1.00 0.00 H new ATOM 0 HE2 TYR A 86 14.553 -3.603 -9.966 1.00 0.00 H new ATOM 0 HH TYR A 86 13.961 -5.552 -9.074 1.00 0.00 H new ATOM 1419 N ASP A 87 18.102 1.385 -5.301 1.00 0.00 N ATOM 1420 CA ASP A 87 18.980 2.410 -4.711 1.00 0.00 C ATOM 1421 C ASP A 87 18.215 3.247 -3.692 1.00 0.00 C ATOM 1422 O ASP A 87 18.074 2.807 -2.540 1.00 0.00 O ATOM 1423 CB ASP A 87 19.747 3.275 -5.755 1.00 0.00 C ATOM 1424 CG ASP A 87 20.784 4.192 -5.151 1.00 0.00 C ATOM 1425 OD1 ASP A 87 20.452 5.349 -4.795 1.00 0.00 O ATOM 1426 OD2 ASP A 87 21.972 3.775 -5.057 1.00 0.00 O ATOM 0 H ASP A 87 18.129 0.508 -4.781 1.00 0.00 H new ATOM 0 HA ASP A 87 19.771 1.876 -4.185 1.00 0.00 H new ATOM 0 HB2 ASP A 87 20.235 2.614 -6.471 1.00 0.00 H new ATOM 0 HB3 ASP A 87 19.028 3.875 -6.313 1.00 0.00 H new ATOM 1431 N SER A 88 17.641 4.378 -4.127 1.00 0.00 N ATOM 1432 CA SER A 88 16.869 5.289 -3.271 1.00 0.00 C ATOM 1433 C SER A 88 16.628 6.598 -4.034 1.00 0.00 C ATOM 1434 O SER A 88 15.599 6.791 -4.684 1.00 0.00 O ATOM 1435 CB SER A 88 17.632 5.588 -1.938 1.00 0.00 C ATOM 1436 OG SER A 88 16.897 6.439 -1.064 1.00 0.00 O ATOM 0 H SER A 88 17.701 4.689 -5.096 1.00 0.00 H new ATOM 0 HA SER A 88 15.919 4.818 -3.018 1.00 0.00 H new ATOM 0 HB2 SER A 88 17.847 4.649 -1.428 1.00 0.00 H new ATOM 0 HB3 SER A 88 18.591 6.052 -2.169 1.00 0.00 H new ATOM 0 HG SER A 88 17.415 6.594 -0.246 1.00 0.00 H new ATOM 1442 N LEU A 89 17.624 7.443 -3.986 1.00 0.00 N ATOM 1443 CA LEU A 89 17.683 8.737 -4.632 1.00 0.00 C ATOM 1444 C LEU A 89 19.145 8.956 -4.837 1.00 0.00 C ATOM 1445 O LEU A 89 19.618 9.207 -5.946 1.00 0.00 O ATOM 1446 CB LEU A 89 17.144 9.866 -3.715 1.00 0.00 C ATOM 1447 CG LEU A 89 15.686 9.787 -3.260 1.00 0.00 C ATOM 1448 CD1 LEU A 89 15.387 10.902 -2.275 1.00 0.00 C ATOM 1449 CD2 LEU A 89 14.755 9.887 -4.451 1.00 0.00 C ATOM 0 H LEU A 89 18.474 7.236 -3.461 1.00 0.00 H new ATOM 0 HA LEU A 89 17.085 8.757 -5.543 1.00 0.00 H new ATOM 0 HB2 LEU A 89 17.771 9.900 -2.824 1.00 0.00 H new ATOM 0 HB3 LEU A 89 17.280 10.813 -4.237 1.00 0.00 H new ATOM 0 HG LEU A 89 15.526 8.826 -2.770 1.00 0.00 H new ATOM 0 HD11 LEU A 89 14.346 10.837 -1.957 1.00 0.00 H new ATOM 0 HD12 LEU A 89 16.039 10.805 -1.407 1.00 0.00 H new ATOM 0 HD13 LEU A 89 15.561 11.866 -2.753 1.00 0.00 H new ATOM 0 HD21 LEU A 89 13.721 9.829 -4.111 1.00 0.00 H new ATOM 0 HD22 LEU A 89 14.917 10.837 -4.960 1.00 0.00 H new ATOM 0 HD23 LEU A 89 14.956 9.067 -5.140 1.00 0.00 H new ATOM 1461 N LYS A 90 19.850 8.858 -3.727 1.00 0.00 N ATOM 1462 CA LYS A 90 21.278 8.847 -3.664 1.00 0.00 C ATOM 1463 C LYS A 90 21.697 7.991 -2.492 1.00 0.00 C ATOM 1464 O LYS A 90 21.986 8.503 -1.404 1.00 0.00 O ATOM 1465 CB LYS A 90 21.919 10.253 -3.545 1.00 0.00 C ATOM 1466 CG LYS A 90 21.744 11.133 -4.764 1.00 0.00 C ATOM 1467 CD LYS A 90 22.497 12.434 -4.639 1.00 0.00 C ATOM 1468 CE LYS A 90 22.299 13.272 -5.883 1.00 0.00 C ATOM 1469 NZ LYS A 90 23.048 14.536 -5.832 1.00 0.00 N ATOM 0 H LYS A 90 19.412 8.781 -2.809 1.00 0.00 H new ATOM 0 HA LYS A 90 21.638 8.440 -4.609 1.00 0.00 H new ATOM 0 HB2 LYS A 90 21.489 10.761 -2.682 1.00 0.00 H new ATOM 0 HB3 LYS A 90 22.985 10.136 -3.348 1.00 0.00 H new ATOM 0 HG2 LYS A 90 22.090 10.598 -5.649 1.00 0.00 H new ATOM 0 HG3 LYS A 90 20.684 11.341 -4.911 1.00 0.00 H new ATOM 0 HD2 LYS A 90 22.149 12.982 -3.763 1.00 0.00 H new ATOM 0 HD3 LYS A 90 23.558 12.236 -4.490 1.00 0.00 H new ATOM 0 HE2 LYS A 90 22.614 12.701 -6.756 1.00 0.00 H new ATOM 0 HE3 LYS A 90 21.238 13.486 -6.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 22.977 15.019 -6.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 22.651 15.145 -5.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 24.047 14.339 -5.621 1.00 0.00 H new ATOM 1483 N LEU A 91 21.633 6.678 -2.668 1.00 0.00 N ATOM 1484 CA LEU A 91 22.098 5.771 -1.630 1.00 0.00 C ATOM 1485 C LEU A 91 23.609 5.885 -1.586 1.00 0.00 C ATOM 1486 O LEU A 91 24.247 5.693 -0.553 1.00 0.00 O ATOM 1487 CB LEU A 91 21.651 4.336 -1.912 1.00 0.00 C ATOM 1488 CG LEU A 91 21.955 3.293 -0.843 1.00 0.00 C ATOM 1489 CD1 LEU A 91 21.242 3.637 0.458 1.00 0.00 C ATOM 1490 CD2 LEU A 91 21.543 1.916 -1.330 1.00 0.00 C ATOM 0 H LEU A 91 21.270 6.224 -3.506 1.00 0.00 H new ATOM 0 HA LEU A 91 21.670 6.038 -0.664 1.00 0.00 H new ATOM 0 HB2 LEU A 91 20.574 4.344 -2.081 1.00 0.00 H new ATOM 0 HB3 LEU A 91 22.117 4.013 -2.843 1.00 0.00 H new ATOM 0 HG LEU A 91 23.028 3.290 -0.651 1.00 0.00 H new ATOM 0 HD11 LEU A 91 21.471 2.881 1.209 1.00 0.00 H new ATOM 0 HD12 LEU A 91 21.578 4.612 0.810 1.00 0.00 H new ATOM 0 HD13 LEU A 91 20.166 3.664 0.287 1.00 0.00 H new ATOM 0 HD21 LEU A 91 21.764 1.177 -0.560 1.00 0.00 H new ATOM 0 HD22 LEU A 91 20.474 1.910 -1.543 1.00 0.00 H new ATOM 0 HD23 LEU A 91 22.095 1.671 -2.237 1.00 0.00 H new ATOM 1502 N LYS A 92 24.156 6.216 -2.724 1.00 0.00 N ATOM 1503 CA LYS A 92 25.526 6.556 -2.845 1.00 0.00 C ATOM 1504 C LYS A 92 25.612 8.065 -2.893 1.00 0.00 C ATOM 1505 O LYS A 92 25.244 8.686 -3.901 1.00 0.00 O ATOM 1506 CB LYS A 92 26.134 5.953 -4.111 1.00 0.00 C ATOM 1507 CG LYS A 92 27.566 6.390 -4.367 1.00 0.00 C ATOM 1508 CD LYS A 92 28.127 5.742 -5.609 1.00 0.00 C ATOM 1509 CE LYS A 92 29.519 6.255 -5.917 1.00 0.00 C ATOM 1510 NZ LYS A 92 30.445 6.087 -4.782 1.00 0.00 N ATOM 0 H LYS A 92 23.642 6.254 -3.604 1.00 0.00 H new ATOM 0 HA LYS A 92 26.086 6.159 -1.998 1.00 0.00 H new ATOM 0 HB2 LYS A 92 26.103 4.866 -4.037 1.00 0.00 H new ATOM 0 HB3 LYS A 92 25.520 6.232 -4.967 1.00 0.00 H new ATOM 0 HG2 LYS A 92 27.604 7.474 -4.472 1.00 0.00 H new ATOM 0 HG3 LYS A 92 28.186 6.131 -3.508 1.00 0.00 H new ATOM 0 HD2 LYS A 92 28.157 4.661 -5.476 1.00 0.00 H new ATOM 0 HD3 LYS A 92 27.469 5.941 -6.455 1.00 0.00 H new ATOM 0 HE2 LYS A 92 29.914 5.727 -6.785 1.00 0.00 H new ATOM 0 HE3 LYS A 92 29.463 7.310 -6.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 31.381 5.805 -5.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 30.527 6.986 -4.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 30.081 5.352 -4.143 1.00 0.00 H new ATOM 1524 N LYS A 93 25.991 8.655 -1.803 1.00 0.00 N ATOM 1525 CA LYS A 93 26.160 10.068 -1.753 1.00 0.00 C ATOM 1526 C LYS A 93 27.550 10.455 -1.290 1.00 0.00 C ATOM 1527 O LYS A 93 27.831 10.611 -0.088 1.00 0.00 O ATOM 1528 CB LYS A 93 25.040 10.790 -0.973 1.00 0.00 C ATOM 1529 CG LYS A 93 24.758 10.267 0.436 1.00 0.00 C ATOM 1530 CD LYS A 93 23.674 11.093 1.123 1.00 0.00 C ATOM 1531 CE LYS A 93 22.390 11.106 0.306 1.00 0.00 C ATOM 1532 NZ LYS A 93 21.345 11.957 0.895 1.00 0.00 N ATOM 0 H LYS A 93 26.191 8.171 -0.928 1.00 0.00 H new ATOM 0 HA LYS A 93 26.063 10.424 -2.779 1.00 0.00 H new ATOM 0 HB2 LYS A 93 25.298 11.847 -0.902 1.00 0.00 H new ATOM 0 HB3 LYS A 93 24.120 10.725 -1.554 1.00 0.00 H new ATOM 0 HG2 LYS A 93 24.446 9.224 0.384 1.00 0.00 H new ATOM 0 HG3 LYS A 93 25.673 10.297 1.028 1.00 0.00 H new ATOM 0 HD2 LYS A 93 23.474 10.683 2.113 1.00 0.00 H new ATOM 0 HD3 LYS A 93 24.027 12.114 1.266 1.00 0.00 H new ATOM 0 HE2 LYS A 93 22.611 11.456 -0.702 1.00 0.00 H new ATOM 0 HE3 LYS A 93 22.013 10.087 0.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 20.495 11.927 0.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 21.111 11.610 1.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 21.690 12.936 0.958 1.00 0.00 H new ATOM 1546 N ASP A 94 28.430 10.579 -2.257 1.00 0.00 N ATOM 1547 CA ASP A 94 29.812 11.004 -2.045 1.00 0.00 C ATOM 1548 C ASP A 94 29.904 12.511 -2.183 1.00 0.00 C ATOM 1549 O ASP A 94 30.949 13.061 -2.548 1.00 0.00 O ATOM 1550 CB ASP A 94 30.764 10.316 -3.045 1.00 0.00 C ATOM 1551 CG ASP A 94 31.087 8.880 -2.678 1.00 0.00 C ATOM 1552 OD1 ASP A 94 30.271 7.979 -2.940 1.00 0.00 O ATOM 1553 OD2 ASP A 94 32.174 8.634 -2.087 1.00 0.00 O ATOM 0 H ASP A 94 28.210 10.386 -3.234 1.00 0.00 H new ATOM 0 HA ASP A 94 30.116 10.712 -1.040 1.00 0.00 H new ATOM 0 HB2 ASP A 94 30.314 10.337 -4.037 1.00 0.00 H new ATOM 0 HB3 ASP A 94 31.691 10.886 -3.103 1.00 0.00 H new ATOM 1558 N LEU A 95 28.790 13.164 -1.843 1.00 0.00 N ATOM 1559 CA LEU A 95 28.622 14.621 -1.870 1.00 0.00 C ATOM 1560 C LEU A 95 28.593 15.156 -3.296 1.00 0.00 C ATOM 1561 O LEU A 95 28.892 16.323 -3.546 1.00 0.00 O ATOM 1562 CB LEU A 95 29.657 15.374 -0.984 1.00 0.00 C ATOM 1563 CG LEU A 95 29.518 15.235 0.557 1.00 0.00 C ATOM 1564 CD1 LEU A 95 28.119 15.601 1.020 1.00 0.00 C ATOM 1565 CD2 LEU A 95 29.923 13.855 1.066 1.00 0.00 C ATOM 0 H LEU A 95 27.950 12.677 -1.530 1.00 0.00 H new ATOM 0 HA LEU A 95 27.648 14.824 -1.424 1.00 0.00 H new ATOM 0 HB2 LEU A 95 30.653 15.030 -1.264 1.00 0.00 H new ATOM 0 HB3 LEU A 95 29.604 16.434 -1.232 1.00 0.00 H new ATOM 0 HG LEU A 95 30.219 15.946 0.994 1.00 0.00 H new ATOM 0 HD11 LEU A 95 28.054 15.493 2.103 1.00 0.00 H new ATOM 0 HD12 LEU A 95 27.903 16.633 0.744 1.00 0.00 H new ATOM 0 HD13 LEU A 95 27.394 14.939 0.546 1.00 0.00 H new ATOM 0 HD21 LEU A 95 29.805 13.818 2.149 1.00 0.00 H new ATOM 0 HD22 LEU A 95 29.289 13.097 0.606 1.00 0.00 H new ATOM 0 HD23 LEU A 95 30.964 13.663 0.808 1.00 0.00 H new ATOM 1577 N GLU A 96 28.169 14.316 -4.203 1.00 0.00 N ATOM 1578 CA GLU A 96 28.041 14.661 -5.589 1.00 0.00 C ATOM 1579 C GLU A 96 26.613 15.116 -5.876 1.00 0.00 C ATOM 1580 O GLU A 96 26.377 16.341 -5.966 1.00 0.00 O ATOM 1581 CB GLU A 96 28.418 13.475 -6.474 1.00 0.00 C ATOM 1582 CG GLU A 96 29.883 13.078 -6.395 1.00 0.00 C ATOM 1583 CD GLU A 96 30.802 14.149 -6.935 1.00 0.00 C ATOM 1584 OE1 GLU A 96 30.867 14.322 -8.179 1.00 0.00 O ATOM 1585 OE2 GLU A 96 31.487 14.843 -6.144 1.00 0.00 O ATOM 1586 OXT GLU A 96 25.706 14.255 -6.010 1.00 0.00 O ATOM 0 H GLU A 96 27.899 13.355 -3.992 1.00 0.00 H new ATOM 0 HA GLU A 96 28.724 15.480 -5.815 1.00 0.00 H new ATOM 0 HB2 GLU A 96 27.806 12.618 -6.194 1.00 0.00 H new ATOM 0 HB3 GLU A 96 28.174 13.716 -7.509 1.00 0.00 H new ATOM 0 HG2 GLU A 96 30.144 12.869 -5.358 1.00 0.00 H new ATOM 0 HG3 GLU A 96 30.037 12.155 -6.955 1.00 0.00 H new TER 1593 GLU A 96