USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 591 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 39 HIS : no HD1:sc= -1.85! C(o=-1.5!,f=-1.9!) USER MOD Set 1.2: A 63 HIS : no HE2:sc= 0.394 K(o=-1.5,f=-6.1!) USER MOD Set 2.1: A 49 GLN : amide:sc= -0.343 K(o=-0.44,f=-2.6) USER MOD Set 2.2: A 57 ASN :FLIP amide:sc= -0.0931 F(o=-1.3,f=-0.44) USER MOD Set 3.1: A 21 THR OG1 : rot 79:sc= 0.174 USER MOD Set 3.2: A 33 THR OG1 : rot -130:sc= 0.253 USER MOD Set 4.1: A 15 HIS : no HD1:sc= -0.124 K(o=0.31,f=-0.99) USER MOD Set 4.2: A 20 SER OG : rot 167:sc= 0.438 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot -109:sc= 1.92 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0.28) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 ASN : amide:sc= -0.331 K(o=-0.33,f=-2.5) USER MOD Single : A 26 HIS : no HD1:sc= -3.34! C(o=-3.3!,f=-3.9!) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 TYR OH : rot 30:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 13:sc= 1.5 USER MOD Single : A 64 SER OG : rot 180:sc= 0.00215 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.104 USER MOD Single : A 71 SER OG : rot 64:sc= 0.503 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= -0.965 K(o=-0.96,f=-5!) USER MOD ----------------------------------------------------------------- ATOM 29 N LYS A 5 -2.238 -7.215 -14.717 1.00 10.00 N ATOM 30 CA LYS A 5 -2.677 -8.301 -13.867 1.00 10.00 C ATOM 31 C LYS A 5 -3.432 -7.662 -12.708 1.00 10.00 C ATOM 32 O LYS A 5 -2.886 -6.816 -11.999 1.00 10.00 O ATOM 33 CB LYS A 5 -1.480 -9.160 -13.423 1.00 10.00 C ATOM 34 CG LYS A 5 -1.880 -10.640 -13.356 1.00 10.00 C ATOM 35 CD LYS A 5 -0.683 -11.518 -12.956 1.00 10.00 C ATOM 36 CE LYS A 5 -0.561 -12.792 -13.806 1.00 10.00 C ATOM 37 NZ LYS A 5 -0.047 -12.516 -15.165 1.00 10.00 N ATOM 0 HA LYS A 5 -3.339 -8.992 -14.389 1.00 10.00 H new ATOM 0 HB2 LYS A 5 -0.653 -9.031 -14.121 1.00 10.00 H new ATOM 0 HB3 LYS A 5 -1.128 -8.827 -12.447 1.00 10.00 H new ATOM 0 HG2 LYS A 5 -2.687 -10.770 -12.635 1.00 10.00 H new ATOM 0 HG3 LYS A 5 -2.263 -10.961 -14.325 1.00 10.00 H new ATOM 0 HD2 LYS A 5 0.234 -10.936 -13.050 1.00 10.00 H new ATOM 0 HD3 LYS A 5 -0.778 -11.796 -11.906 1.00 10.00 H new ATOM 0 HE2 LYS A 5 0.103 -13.497 -13.306 1.00 10.00 H new ATOM 0 HE3 LYS A 5 -1.537 -13.271 -13.880 1.00 10.00 H new ATOM 0 HZ1 LYS A 5 0.017 -13.406 -15.699 1.00 10.00 H new ATOM 0 HZ2 LYS A 5 -0.693 -11.864 -15.655 1.00 10.00 H new ATOM 0 HZ3 LYS A 5 0.896 -12.083 -15.098 1.00 10.00 H new ATOM 51 N TYR A 6 -4.713 -7.999 -12.583 1.00 10.00 N ATOM 52 CA TYR A 6 -5.564 -7.460 -11.547 1.00 10.00 C ATOM 53 C TYR A 6 -5.531 -8.423 -10.363 1.00 10.00 C ATOM 54 O TYR A 6 -5.430 -9.630 -10.583 1.00 10.00 O ATOM 55 CB TYR A 6 -6.988 -7.272 -12.069 1.00 10.00 C ATOM 56 CG TYR A 6 -7.111 -6.802 -13.504 1.00 10.00 C ATOM 57 CD1 TYR A 6 -7.141 -7.742 -14.550 1.00 10.00 C ATOM 58 CD2 TYR A 6 -7.180 -5.428 -13.795 1.00 10.00 C ATOM 59 CE1 TYR A 6 -7.156 -7.307 -15.885 1.00 10.00 C ATOM 60 CE2 TYR A 6 -7.199 -4.993 -15.131 1.00 10.00 C ATOM 61 CZ TYR A 6 -7.180 -5.933 -16.175 1.00 10.00 C ATOM 62 OH TYR A 6 -7.170 -5.519 -17.473 1.00 10.00 O ATOM 0 H TYR A 6 -5.184 -8.657 -13.204 1.00 10.00 H new ATOM 0 HA TYR A 6 -5.206 -6.480 -11.232 1.00 10.00 H new ATOM 0 HB2 TYR A 6 -7.518 -8.219 -11.971 1.00 10.00 H new ATOM 0 HB3 TYR A 6 -7.498 -6.554 -11.427 1.00 10.00 H new ATOM 0 HD1 TYR A 6 -7.152 -8.799 -14.326 1.00 10.00 H new ATOM 0 HD2 TYR A 6 -7.218 -4.707 -12.992 1.00 10.00 H new ATOM 0 HE1 TYR A 6 -7.149 -8.029 -16.688 1.00 10.00 H new ATOM 0 HE2 TYR A 6 -7.228 -3.937 -15.355 1.00 10.00 H new ATOM 0 HH TYR A 6 -7.191 -4.540 -17.504 1.00 10.00 H new ATOM 72 N TYR A 7 -5.620 -7.919 -9.131 1.00 10.00 N ATOM 73 CA TYR A 7 -5.631 -8.750 -7.934 1.00 10.00 C ATOM 74 C TYR A 7 -6.902 -8.482 -7.135 1.00 10.00 C ATOM 75 O TYR A 7 -7.349 -7.337 -7.036 1.00 10.00 O ATOM 76 CB TYR A 7 -4.366 -8.506 -7.106 1.00 10.00 C ATOM 77 CG TYR A 7 -3.068 -8.715 -7.864 1.00 10.00 C ATOM 78 CD1 TYR A 7 -2.830 -9.942 -8.508 1.00 10.00 C ATOM 79 CD2 TYR A 7 -2.102 -7.693 -7.932 1.00 10.00 C ATOM 80 CE1 TYR A 7 -1.646 -10.139 -9.237 1.00 10.00 C ATOM 81 CE2 TYR A 7 -0.914 -7.893 -8.656 1.00 10.00 C ATOM 82 CZ TYR A 7 -0.689 -9.113 -9.311 1.00 10.00 C ATOM 83 OH TYR A 7 0.468 -9.313 -10.002 1.00 10.00 O ATOM 0 H TYR A 7 -5.687 -6.920 -8.939 1.00 10.00 H new ATOM 0 HA TYR A 7 -5.631 -9.803 -8.217 1.00 10.00 H new ATOM 0 HB2 TYR A 7 -4.388 -7.486 -6.724 1.00 10.00 H new ATOM 0 HB3 TYR A 7 -4.379 -9.171 -6.242 1.00 10.00 H new ATOM 0 HD1 TYR A 7 -3.560 -10.735 -8.442 1.00 10.00 H new ATOM 0 HD2 TYR A 7 -2.274 -6.754 -7.427 1.00 10.00 H new ATOM 0 HE1 TYR A 7 -1.471 -11.078 -9.740 1.00 10.00 H new ATOM 0 HE2 TYR A 7 -0.175 -7.108 -8.708 1.00 10.00 H new ATOM 0 HH TYR A 7 1.020 -8.505 -9.956 1.00 10.00 H new ATOM 93 N THR A 8 -7.509 -9.555 -6.624 1.00 10.00 N ATOM 94 CA THR A 8 -8.722 -9.493 -5.826 1.00 10.00 C ATOM 95 C THR A 8 -8.375 -8.970 -4.436 1.00 10.00 C ATOM 96 O THR A 8 -7.249 -9.161 -3.969 1.00 10.00 O ATOM 97 CB THR A 8 -9.384 -10.880 -5.751 1.00 10.00 C ATOM 98 OG1 THR A 8 -8.670 -11.714 -4.853 1.00 10.00 O ATOM 99 CG2 THR A 8 -9.531 -11.524 -7.139 1.00 10.00 C ATOM 0 H THR A 8 -7.161 -10.504 -6.759 1.00 10.00 H new ATOM 0 HA THR A 8 -9.436 -8.813 -6.291 1.00 10.00 H new ATOM 0 HB THR A 8 -10.396 -10.753 -5.366 1.00 10.00 H new ATOM 0 HG1 THR A 8 -8.195 -12.407 -5.358 1.00 10.00 H new ATOM 0 HG21 THR A 8 -10.003 -12.501 -7.038 1.00 10.00 H new ATOM 0 HG22 THR A 8 -10.148 -10.887 -7.772 1.00 10.00 H new ATOM 0 HG23 THR A 8 -8.546 -11.641 -7.592 1.00 10.00 H new ATOM 107 N LEU A 9 -9.337 -8.330 -3.762 1.00 10.00 N ATOM 108 CA LEU A 9 -9.143 -7.861 -2.398 1.00 10.00 C ATOM 109 C LEU A 9 -8.614 -9.002 -1.531 1.00 10.00 C ATOM 110 O LEU A 9 -7.712 -8.793 -0.731 1.00 10.00 O ATOM 111 CB LEU A 9 -10.451 -7.293 -1.827 1.00 10.00 C ATOM 112 CG LEU A 9 -10.268 -5.917 -1.157 1.00 10.00 C ATOM 113 CD1 LEU A 9 -11.599 -5.384 -0.605 1.00 10.00 C ATOM 114 CD2 LEU A 9 -9.239 -5.911 -0.016 1.00 10.00 C ATOM 0 H LEU A 9 -10.260 -8.127 -4.147 1.00 10.00 H new ATOM 0 HA LEU A 9 -8.408 -7.056 -2.400 1.00 10.00 H new ATOM 0 HB2 LEU A 9 -11.184 -7.206 -2.629 1.00 10.00 H new ATOM 0 HB3 LEU A 9 -10.858 -7.994 -1.099 1.00 10.00 H new ATOM 0 HG LEU A 9 -9.893 -5.272 -1.951 1.00 10.00 H new ATOM 0 HD11 LEU A 9 -11.436 -4.412 -0.139 1.00 10.00 H new ATOM 0 HD12 LEU A 9 -12.315 -5.280 -1.420 1.00 10.00 H new ATOM 0 HD13 LEU A 9 -11.991 -6.081 0.136 1.00 10.00 H new ATOM 0 HD21 LEU A 9 -9.167 -4.908 0.404 1.00 10.00 H new ATOM 0 HD22 LEU A 9 -9.553 -6.608 0.761 1.00 10.00 H new ATOM 0 HD23 LEU A 9 -8.266 -6.213 -0.402 1.00 10.00 H new ATOM 126 N GLU A 10 -9.154 -10.209 -1.725 1.00 10.00 N ATOM 127 CA GLU A 10 -8.716 -11.412 -1.031 1.00 10.00 C ATOM 128 C GLU A 10 -7.233 -11.695 -1.273 1.00 10.00 C ATOM 129 O GLU A 10 -6.446 -11.800 -0.333 1.00 10.00 O ATOM 130 CB GLU A 10 -9.559 -12.613 -1.463 1.00 10.00 C ATOM 131 CG GLU A 10 -9.380 -13.776 -0.477 1.00 10.00 C ATOM 132 CD GLU A 10 -9.941 -13.462 0.907 1.00 10.00 C ATOM 133 OE1 GLU A 10 -11.134 -13.096 0.967 1.00 10.00 O ATOM 134 OE2 GLU A 10 -9.160 -13.584 1.875 1.00 10.00 O ATOM 0 H GLU A 10 -9.919 -10.374 -2.379 1.00 10.00 H new ATOM 0 HA GLU A 10 -8.853 -11.244 0.037 1.00 10.00 H new ATOM 0 HB2 GLU A 10 -10.610 -12.328 -1.512 1.00 10.00 H new ATOM 0 HB3 GLU A 10 -9.267 -12.929 -2.464 1.00 10.00 H new ATOM 0 HG2 GLU A 10 -9.875 -14.663 -0.873 1.00 10.00 H new ATOM 0 HG3 GLU A 10 -8.320 -14.014 -0.390 1.00 10.00 H new ATOM 141 N GLU A 11 -6.843 -11.836 -2.541 1.00 10.00 N ATOM 142 CA GLU A 11 -5.451 -12.074 -2.885 1.00 10.00 C ATOM 143 C GLU A 11 -4.562 -11.020 -2.227 1.00 10.00 C ATOM 144 O GLU A 11 -3.577 -11.346 -1.575 1.00 10.00 O ATOM 145 CB GLU A 11 -5.258 -12.077 -4.406 1.00 10.00 C ATOM 146 CG GLU A 11 -5.134 -13.508 -4.940 1.00 10.00 C ATOM 147 CD GLU A 11 -6.433 -14.278 -4.763 1.00 10.00 C ATOM 148 OE1 GLU A 11 -7.395 -13.908 -5.474 1.00 10.00 O ATOM 149 OE2 GLU A 11 -6.441 -15.196 -3.915 1.00 10.00 O ATOM 0 H GLU A 11 -7.474 -11.789 -3.341 1.00 10.00 H new ATOM 0 HA GLU A 11 -5.163 -13.056 -2.511 1.00 10.00 H new ATOM 0 HB2 GLU A 11 -6.101 -11.578 -4.884 1.00 10.00 H new ATOM 0 HB3 GLU A 11 -4.364 -11.510 -4.664 1.00 10.00 H new ATOM 0 HG2 GLU A 11 -4.865 -13.482 -5.996 1.00 10.00 H new ATOM 0 HG3 GLU A 11 -4.328 -14.025 -4.418 1.00 10.00 H new ATOM 156 N ILE A 12 -4.926 -9.750 -2.373 1.00 10.00 N ATOM 157 CA ILE A 12 -4.187 -8.656 -1.765 1.00 10.00 C ATOM 158 C ILE A 12 -4.123 -8.856 -0.236 1.00 10.00 C ATOM 159 O ILE A 12 -3.053 -8.767 0.367 1.00 10.00 O ATOM 160 CB ILE A 12 -4.812 -7.324 -2.223 1.00 10.00 C ATOM 161 CG1 ILE A 12 -4.800 -7.207 -3.767 1.00 10.00 C ATOM 162 CG2 ILE A 12 -4.038 -6.136 -1.638 1.00 10.00 C ATOM 163 CD1 ILE A 12 -5.877 -6.256 -4.289 1.00 10.00 C ATOM 0 H ILE A 12 -5.738 -9.454 -2.914 1.00 10.00 H new ATOM 0 HA ILE A 12 -3.148 -8.635 -2.093 1.00 10.00 H new ATOM 0 HB ILE A 12 -5.842 -7.308 -1.866 1.00 10.00 H new ATOM 0 HG12 ILE A 12 -3.821 -6.857 -4.094 1.00 10.00 H new ATOM 0 HG13 ILE A 12 -4.948 -8.194 -4.204 1.00 10.00 H new ATOM 0 HG21 ILE A 12 -4.494 -5.204 -1.973 1.00 10.00 H new ATOM 0 HG22 ILE A 12 -4.067 -6.184 -0.549 1.00 10.00 H new ATOM 0 HG23 ILE A 12 -3.002 -6.175 -1.976 1.00 10.00 H new ATOM 0 HD11 ILE A 12 -5.825 -6.210 -5.377 1.00 10.00 H new ATOM 0 HD12 ILE A 12 -6.860 -6.618 -3.987 1.00 10.00 H new ATOM 0 HD13 ILE A 12 -5.715 -5.261 -3.876 1.00 10.00 H new ATOM 175 N GLN A 13 -5.255 -9.186 0.387 1.00 10.00 N ATOM 176 CA GLN A 13 -5.380 -9.515 1.800 1.00 10.00 C ATOM 177 C GLN A 13 -4.488 -10.680 2.218 1.00 10.00 C ATOM 178 O GLN A 13 -4.038 -10.707 3.357 1.00 10.00 O ATOM 179 CB GLN A 13 -6.842 -9.830 2.147 1.00 10.00 C ATOM 180 CG GLN A 13 -7.613 -8.622 2.689 1.00 10.00 C ATOM 181 CD GLN A 13 -7.978 -8.859 4.151 1.00 10.00 C ATOM 182 OE1 GLN A 13 -7.235 -8.522 5.066 1.00 10.00 O ATOM 183 NE2 GLN A 13 -9.110 -9.514 4.383 1.00 10.00 N ATOM 0 H GLN A 13 -6.147 -9.232 -0.105 1.00 10.00 H new ATOM 0 HA GLN A 13 -5.047 -8.638 2.355 1.00 10.00 H new ATOM 0 HB2 GLN A 13 -7.347 -10.204 1.256 1.00 10.00 H new ATOM 0 HB3 GLN A 13 -6.868 -10.630 2.887 1.00 10.00 H new ATOM 0 HG2 GLN A 13 -7.007 -7.721 2.597 1.00 10.00 H new ATOM 0 HG3 GLN A 13 -8.516 -8.461 2.100 1.00 10.00 H new ATOM 0 HE21 GLN A 13 -9.712 -9.784 3.605 1.00 10.00 H new ATOM 0 HE22 GLN A 13 -9.377 -9.747 5.339 1.00 10.00 H new ATOM 192 N LYS A 14 -4.213 -11.646 1.341 1.00 10.00 N ATOM 193 CA LYS A 14 -3.306 -12.729 1.696 1.00 10.00 C ATOM 194 C LYS A 14 -1.887 -12.207 2.016 1.00 10.00 C ATOM 195 O LYS A 14 -1.107 -12.933 2.630 1.00 10.00 O ATOM 196 CB LYS A 14 -3.299 -13.809 0.602 1.00 10.00 C ATOM 197 CG LYS A 14 -4.650 -14.527 0.409 1.00 10.00 C ATOM 198 CD LYS A 14 -4.544 -16.026 0.735 1.00 10.00 C ATOM 199 CE LYS A 14 -5.639 -16.821 0.009 1.00 10.00 C ATOM 200 NZ LYS A 14 -5.638 -18.245 0.401 1.00 10.00 N ATOM 0 H LYS A 14 -4.599 -11.699 0.398 1.00 10.00 H new ATOM 0 HA LYS A 14 -3.673 -13.192 2.612 1.00 10.00 H new ATOM 0 HB2 LYS A 14 -3.007 -13.351 -0.343 1.00 10.00 H new ATOM 0 HB3 LYS A 14 -2.538 -14.551 0.845 1.00 10.00 H new ATOM 0 HG2 LYS A 14 -5.402 -14.067 1.049 1.00 10.00 H new ATOM 0 HG3 LYS A 14 -4.987 -14.400 -0.620 1.00 10.00 H new ATOM 0 HD2 LYS A 14 -3.563 -16.398 0.441 1.00 10.00 H new ATOM 0 HD3 LYS A 14 -4.632 -16.176 1.811 1.00 10.00 H new ATOM 0 HE2 LYS A 14 -6.613 -16.384 0.231 1.00 10.00 H new ATOM 0 HE3 LYS A 14 -5.492 -16.741 -1.068 1.00 10.00 H new ATOM 0 HZ1 LYS A 14 -6.392 -18.747 -0.111 1.00 10.00 H new ATOM 0 HZ2 LYS A 14 -4.718 -18.669 0.166 1.00 10.00 H new ATOM 0 HZ3 LYS A 14 -5.804 -18.323 1.425 1.00 10.00 H new ATOM 214 N HIS A 15 -1.534 -10.977 1.606 1.00 10.00 N ATOM 215 CA HIS A 15 -0.193 -10.405 1.742 1.00 10.00 C ATOM 216 C HIS A 15 -0.165 -9.284 2.799 1.00 10.00 C ATOM 217 O HIS A 15 -0.142 -8.098 2.453 1.00 10.00 O ATOM 218 CB HIS A 15 0.256 -9.874 0.372 1.00 10.00 C ATOM 219 CG HIS A 15 0.521 -10.919 -0.686 1.00 10.00 C ATOM 220 ND1 HIS A 15 1.652 -11.002 -1.464 1.00 10.00 N ATOM 221 CD2 HIS A 15 -0.358 -11.858 -1.155 1.00 10.00 C ATOM 222 CE1 HIS A 15 1.459 -11.980 -2.366 1.00 10.00 C ATOM 223 NE2 HIS A 15 0.251 -12.539 -2.212 1.00 10.00 N ATOM 0 H HIS A 15 -2.194 -10.340 1.160 1.00 10.00 H new ATOM 0 HA HIS A 15 0.494 -11.180 2.081 1.00 10.00 H new ATOM 0 HB2 HIS A 15 -0.509 -9.193 -0.001 1.00 10.00 H new ATOM 0 HB3 HIS A 15 1.164 -9.287 0.511 1.00 10.00 H new ATOM 0 HD2 HIS A 15 -1.352 -12.041 -0.773 1.00 10.00 H new ATOM 0 HE1 HIS A 15 2.180 -12.275 -3.114 1.00 10.00 H new ATOM 0 HE2 HIS A 15 -0.144 -13.306 -2.756 1.00 10.00 H new ATOM 231 N ASN A 16 -0.150 -9.650 4.091 1.00 10.00 N ATOM 232 CA ASN A 16 -0.233 -8.695 5.205 1.00 10.00 C ATOM 233 C ASN A 16 0.250 -9.279 6.537 1.00 10.00 C ATOM 234 O ASN A 16 -0.461 -9.250 7.540 1.00 10.00 O ATOM 235 CB ASN A 16 -1.664 -8.155 5.344 1.00 10.00 C ATOM 236 CG ASN A 16 -2.715 -9.239 5.589 1.00 10.00 C ATOM 237 OD1 ASN A 16 -2.397 -10.419 5.727 1.00 10.00 O ATOM 238 ND2 ASN A 16 -3.986 -8.846 5.628 1.00 10.00 N ATOM 0 H ASN A 16 -0.080 -10.622 4.392 1.00 10.00 H new ATOM 0 HA ASN A 16 0.443 -7.875 4.962 1.00 10.00 H new ATOM 0 HB2 ASN A 16 -1.694 -7.441 6.167 1.00 10.00 H new ATOM 0 HB3 ASN A 16 -1.925 -7.608 4.438 1.00 10.00 H new ATOM 0 HD21 ASN A 16 -4.727 -9.531 5.776 1.00 10.00 H new ATOM 0 HD22 ASN A 16 -4.219 -7.860 5.510 1.00 10.00 H new ATOM 292 N SER A 20 4.849 -10.036 3.253 1.00 10.00 N ATOM 293 CA SER A 20 4.615 -9.000 2.275 1.00 10.00 C ATOM 294 C SER A 20 3.620 -8.000 2.868 1.00 10.00 C ATOM 295 O SER A 20 2.927 -8.310 3.843 1.00 10.00 O ATOM 296 CB SER A 20 4.158 -9.614 0.949 1.00 10.00 C ATOM 297 OG SER A 20 3.302 -10.722 1.156 1.00 10.00 O ATOM 0 HA SER A 20 5.532 -8.458 2.043 1.00 10.00 H new ATOM 0 HB2 SER A 20 3.640 -8.859 0.357 1.00 10.00 H new ATOM 0 HB3 SER A 20 5.029 -9.929 0.374 1.00 10.00 H new ATOM 0 HG SER A 20 2.867 -10.962 0.311 1.00 10.00 H new ATOM 303 N THR A 21 3.593 -6.794 2.295 1.00 10.00 N ATOM 304 CA THR A 21 2.705 -5.704 2.647 1.00 10.00 C ATOM 305 C THR A 21 2.147 -5.155 1.346 1.00 10.00 C ATOM 306 O THR A 21 2.776 -4.306 0.707 1.00 10.00 O ATOM 307 CB THR A 21 3.497 -4.632 3.394 1.00 10.00 C ATOM 308 OG1 THR A 21 4.015 -5.220 4.566 1.00 10.00 O ATOM 309 CG2 THR A 21 2.680 -3.367 3.696 1.00 10.00 C ATOM 0 H THR A 21 4.226 -6.548 1.534 1.00 10.00 H new ATOM 0 HA THR A 21 1.894 -6.034 3.296 1.00 10.00 H new ATOM 0 HB THR A 21 4.307 -4.282 2.754 1.00 10.00 H new ATOM 0 HG1 THR A 21 4.805 -5.755 4.342 1.00 10.00 H new ATOM 0 HG21 THR A 21 3.304 -2.649 4.227 1.00 10.00 H new ATOM 0 HG22 THR A 21 2.334 -2.925 2.761 1.00 10.00 H new ATOM 0 HG23 THR A 21 1.821 -3.628 4.314 1.00 10.00 H new ATOM 317 N TRP A 22 0.992 -5.686 0.949 1.00 10.00 N ATOM 318 CA TRP A 22 0.235 -5.178 -0.178 1.00 10.00 C ATOM 319 C TRP A 22 -0.894 -4.324 0.374 1.00 10.00 C ATOM 320 O TRP A 22 -1.034 -4.225 1.587 1.00 10.00 O ATOM 321 CB TRP A 22 -0.306 -6.350 -0.988 1.00 10.00 C ATOM 322 CG TRP A 22 0.702 -7.175 -1.720 1.00 10.00 C ATOM 323 CD1 TRP A 22 2.027 -7.220 -1.474 1.00 10.00 C ATOM 324 CD2 TRP A 22 0.500 -7.995 -2.905 1.00 10.00 C ATOM 325 NE1 TRP A 22 2.651 -8.012 -2.400 1.00 10.00 N ATOM 326 CE2 TRP A 22 1.762 -8.503 -3.331 1.00 10.00 C ATOM 327 CE3 TRP A 22 -0.620 -8.311 -3.699 1.00 10.00 C ATOM 328 CZ2 TRP A 22 1.905 -9.287 -4.483 1.00 10.00 C ATOM 329 CZ3 TRP A 22 -0.500 -9.135 -4.831 1.00 10.00 C ATOM 330 CH2 TRP A 22 0.760 -9.615 -5.230 1.00 10.00 C ATOM 0 H TRP A 22 0.558 -6.487 1.408 1.00 10.00 H new ATOM 0 HA TRP A 22 0.858 -4.574 -0.838 1.00 10.00 H new ATOM 0 HB2 TRP A 22 -0.858 -7.005 -0.314 1.00 10.00 H new ATOM 0 HB3 TRP A 22 -1.021 -5.962 -1.713 1.00 10.00 H new ATOM 0 HD1 TRP A 22 2.524 -6.706 -0.664 1.00 10.00 H new ATOM 0 HE1 TRP A 22 3.651 -8.214 -2.401 1.00 10.00 H new ATOM 0 HE3 TRP A 22 -1.588 -7.913 -3.433 1.00 10.00 H new ATOM 0 HZ2 TRP A 22 2.880 -9.634 -4.793 1.00 10.00 H new ATOM 0 HZ3 TRP A 22 -1.380 -9.401 -5.398 1.00 10.00 H new ATOM 0 HH2 TRP A 22 0.848 -10.235 -6.110 1.00 10.00 H new ATOM 341 N LEU A 23 -1.689 -3.697 -0.491 1.00 10.00 N ATOM 342 CA LEU A 23 -2.785 -2.804 -0.127 1.00 10.00 C ATOM 343 C LEU A 23 -3.342 -2.192 -1.400 1.00 10.00 C ATOM 344 O LEU A 23 -2.722 -2.344 -2.453 1.00 10.00 O ATOM 345 CB LEU A 23 -2.357 -1.710 0.863 1.00 10.00 C ATOM 346 CG LEU A 23 -0.980 -1.096 0.570 1.00 10.00 C ATOM 347 CD1 LEU A 23 -1.031 -0.062 -0.549 1.00 10.00 C ATOM 348 CD2 LEU A 23 -0.468 -0.429 1.841 1.00 10.00 C ATOM 0 H LEU A 23 -1.583 -3.801 -1.500 1.00 10.00 H new ATOM 0 HA LEU A 23 -3.551 -3.386 0.386 1.00 10.00 H new ATOM 0 HB2 LEU A 23 -3.105 -0.917 0.855 1.00 10.00 H new ATOM 0 HB3 LEU A 23 -2.348 -2.130 1.869 1.00 10.00 H new ATOM 0 HG LEU A 23 -0.316 -1.897 0.245 1.00 10.00 H new ATOM 0 HD11 LEU A 23 -0.033 0.342 -0.717 1.00 10.00 H new ATOM 0 HD12 LEU A 23 -1.391 -0.533 -1.464 1.00 10.00 H new ATOM 0 HD13 LEU A 23 -1.706 0.746 -0.267 1.00 10.00 H new ATOM 0 HD21 LEU A 23 0.510 0.013 1.651 1.00 10.00 H new ATOM 0 HD22 LEU A 23 -1.165 0.351 2.149 1.00 10.00 H new ATOM 0 HD23 LEU A 23 -0.383 -1.173 2.633 1.00 10.00 H new ATOM 360 N ILE A 24 -4.490 -1.514 -1.301 1.00 10.00 N ATOM 361 CA ILE A 24 -5.155 -0.880 -2.436 1.00 10.00 C ATOM 362 C ILE A 24 -5.212 0.626 -2.195 1.00 10.00 C ATOM 363 O ILE A 24 -5.879 1.087 -1.261 1.00 10.00 O ATOM 364 CB ILE A 24 -6.556 -1.472 -2.638 1.00 10.00 C ATOM 365 CG1 ILE A 24 -6.458 -2.980 -2.906 1.00 10.00 C ATOM 366 CG2 ILE A 24 -7.310 -0.822 -3.805 1.00 10.00 C ATOM 367 CD1 ILE A 24 -7.544 -3.717 -2.115 1.00 10.00 C ATOM 0 H ILE A 24 -4.987 -1.391 -0.419 1.00 10.00 H new ATOM 0 HA ILE A 24 -4.592 -1.070 -3.350 1.00 10.00 H new ATOM 0 HB ILE A 24 -7.110 -1.275 -1.720 1.00 10.00 H new ATOM 0 HG12 ILE A 24 -6.573 -3.178 -3.972 1.00 10.00 H new ATOM 0 HG13 ILE A 24 -5.473 -3.347 -2.618 1.00 10.00 H new ATOM 0 HG21 ILE A 24 -8.295 -1.279 -3.902 1.00 10.00 H new ATOM 0 HG22 ILE A 24 -7.423 0.246 -3.616 1.00 10.00 H new ATOM 0 HG23 ILE A 24 -6.749 -0.970 -4.728 1.00 10.00 H new ATOM 0 HD11 ILE A 24 -7.471 -4.787 -2.308 1.00 10.00 H new ATOM 0 HD12 ILE A 24 -7.408 -3.530 -1.050 1.00 10.00 H new ATOM 0 HD13 ILE A 24 -8.526 -3.358 -2.424 1.00 10.00 H new ATOM 379 N LEU A 25 -4.506 1.383 -3.041 1.00 10.00 N ATOM 380 CA LEU A 25 -4.503 2.840 -3.069 1.00 10.00 C ATOM 381 C LEU A 25 -5.107 3.251 -4.412 1.00 10.00 C ATOM 382 O LEU A 25 -4.413 3.332 -5.418 1.00 10.00 O ATOM 383 CB LEU A 25 -3.067 3.376 -2.891 1.00 10.00 C ATOM 384 CG LEU A 25 -2.517 3.634 -1.486 1.00 10.00 C ATOM 385 CD1 LEU A 25 -3.330 2.901 -0.443 1.00 10.00 C ATOM 386 CD2 LEU A 25 -1.021 3.290 -1.385 1.00 10.00 C ATOM 0 H LEU A 25 -3.898 0.976 -3.752 1.00 10.00 H new ATOM 0 HA LEU A 25 -5.089 3.261 -2.252 1.00 10.00 H new ATOM 0 HB2 LEU A 25 -2.394 2.670 -3.378 1.00 10.00 H new ATOM 0 HB3 LEU A 25 -3.000 4.313 -3.443 1.00 10.00 H new ATOM 0 HG LEU A 25 -2.609 4.702 -1.288 1.00 10.00 H new ATOM 0 HD11 LEU A 25 -2.918 3.101 0.546 1.00 10.00 H new ATOM 0 HD12 LEU A 25 -4.364 3.243 -0.481 1.00 10.00 H new ATOM 0 HD13 LEU A 25 -3.294 1.830 -0.641 1.00 10.00 H new ATOM 0 HD21 LEU A 25 -0.670 3.487 -0.372 1.00 10.00 H new ATOM 0 HD22 LEU A 25 -0.873 2.236 -1.621 1.00 10.00 H new ATOM 0 HD23 LEU A 25 -0.458 3.902 -2.090 1.00 10.00 H new ATOM 398 N HIS A 26 -6.413 3.521 -4.437 1.00 10.00 N ATOM 399 CA HIS A 26 -7.132 4.013 -5.608 1.00 10.00 C ATOM 400 C HIS A 26 -7.192 2.947 -6.692 1.00 10.00 C ATOM 401 O HIS A 26 -6.801 3.187 -7.840 1.00 10.00 O ATOM 402 CB HIS A 26 -6.538 5.312 -6.163 1.00 10.00 C ATOM 403 CG HIS A 26 -6.261 6.339 -5.112 1.00 10.00 C ATOM 404 ND1 HIS A 26 -7.124 7.321 -4.691 1.00 10.00 N ATOM 405 CD2 HIS A 26 -5.094 6.468 -4.414 1.00 10.00 C ATOM 406 CE1 HIS A 26 -6.473 8.046 -3.773 1.00 10.00 C ATOM 407 NE2 HIS A 26 -5.223 7.585 -3.591 1.00 10.00 N ATOM 0 H HIS A 26 -7.013 3.400 -3.621 1.00 10.00 H new ATOM 0 HA HIS A 26 -8.146 4.242 -5.280 1.00 10.00 H new ATOM 0 HB2 HIS A 26 -5.611 5.083 -6.689 1.00 10.00 H new ATOM 0 HB3 HIS A 26 -7.225 5.732 -6.897 1.00 10.00 H new ATOM 0 HD2 HIS A 26 -4.231 5.823 -4.487 1.00 10.00 H new ATOM 0 HE1 HIS A 26 -6.896 8.890 -3.248 1.00 10.00 H new ATOM 0 HE2 HIS A 26 -4.511 7.975 -2.974 1.00 10.00 H new ATOM 415 N TYR A 27 -7.691 1.774 -6.298 1.00 10.00 N ATOM 416 CA TYR A 27 -7.905 0.633 -7.171 1.00 10.00 C ATOM 417 C TYR A 27 -6.602 0.165 -7.817 1.00 10.00 C ATOM 418 O TYR A 27 -6.626 -0.439 -8.886 1.00 10.00 O ATOM 419 CB TYR A 27 -8.973 0.963 -8.224 1.00 10.00 C ATOM 420 CG TYR A 27 -10.315 1.470 -7.720 1.00 10.00 C ATOM 421 CD1 TYR A 27 -10.797 1.136 -6.438 1.00 10.00 C ATOM 422 CD2 TYR A 27 -11.149 2.176 -8.606 1.00 10.00 C ATOM 423 CE1 TYR A 27 -12.116 1.449 -6.073 1.00 10.00 C ATOM 424 CE2 TYR A 27 -12.460 2.510 -8.232 1.00 10.00 C ATOM 425 CZ TYR A 27 -12.954 2.122 -6.976 1.00 10.00 C ATOM 426 OH TYR A 27 -14.246 2.396 -6.650 1.00 10.00 O ATOM 0 H TYR A 27 -7.964 1.593 -5.332 1.00 10.00 H new ATOM 0 HA TYR A 27 -8.269 -0.196 -6.565 1.00 10.00 H new ATOM 0 HB2 TYR A 27 -8.561 1.713 -8.899 1.00 10.00 H new ATOM 0 HB3 TYR A 27 -9.152 0.065 -8.816 1.00 10.00 H new ATOM 0 HD1 TYR A 27 -10.148 0.637 -5.733 1.00 10.00 H new ATOM 0 HD2 TYR A 27 -10.779 2.463 -9.579 1.00 10.00 H new ATOM 0 HE1 TYR A 27 -12.486 1.172 -5.097 1.00 10.00 H new ATOM 0 HE2 TYR A 27 -13.090 3.066 -8.911 1.00 10.00 H new ATOM 0 HH TYR A 27 -14.678 2.867 -7.393 1.00 10.00 H new ATOM 436 N LYS A 28 -5.468 0.430 -7.169 1.00 10.00 N ATOM 437 CA LYS A 28 -4.150 0.060 -7.638 1.00 10.00 C ATOM 438 C LYS A 28 -3.436 -0.598 -6.468 1.00 10.00 C ATOM 439 O LYS A 28 -3.520 -0.104 -5.342 1.00 10.00 O ATOM 440 CB LYS A 28 -3.411 1.302 -8.138 1.00 10.00 C ATOM 441 CG LYS A 28 -4.028 1.820 -9.440 1.00 10.00 C ATOM 442 CD LYS A 28 -3.462 3.196 -9.802 1.00 10.00 C ATOM 443 CE LYS A 28 -4.407 3.916 -10.776 1.00 10.00 C ATOM 444 NZ LYS A 28 -5.085 5.049 -10.115 1.00 10.00 N ATOM 0 H LYS A 28 -5.450 0.924 -6.277 1.00 10.00 H new ATOM 0 HA LYS A 28 -4.196 -0.635 -8.477 1.00 10.00 H new ATOM 0 HB2 LYS A 28 -3.448 2.082 -7.378 1.00 10.00 H new ATOM 0 HB3 LYS A 28 -2.360 1.064 -8.299 1.00 10.00 H new ATOM 0 HG2 LYS A 28 -3.828 1.116 -10.248 1.00 10.00 H new ATOM 0 HG3 LYS A 28 -5.111 1.884 -9.334 1.00 10.00 H new ATOM 0 HD2 LYS A 28 -3.333 3.794 -8.900 1.00 10.00 H new ATOM 0 HD3 LYS A 28 -2.477 3.085 -10.254 1.00 10.00 H new ATOM 0 HE2 LYS A 28 -3.843 4.277 -11.636 1.00 10.00 H new ATOM 0 HE3 LYS A 28 -5.150 3.213 -11.154 1.00 10.00 H new ATOM 0 HZ1 LYS A 28 -5.718 5.519 -10.794 1.00 10.00 H new ATOM 0 HZ2 LYS A 28 -5.641 4.699 -9.309 1.00 10.00 H new ATOM 0 HZ3 LYS A 28 -4.375 5.729 -9.776 1.00 10.00 H new ATOM 458 N VAL A 29 -2.804 -1.739 -6.739 1.00 10.00 N ATOM 459 CA VAL A 29 -2.076 -2.520 -5.761 1.00 10.00 C ATOM 460 C VAL A 29 -0.598 -2.138 -5.777 1.00 10.00 C ATOM 461 O VAL A 29 0.002 -1.977 -6.845 1.00 10.00 O ATOM 462 CB VAL A 29 -2.271 -4.017 -6.025 1.00 10.00 C ATOM 463 CG1 VAL A 29 -1.868 -4.831 -4.790 1.00 10.00 C ATOM 464 CG2 VAL A 29 -3.730 -4.320 -6.362 1.00 10.00 C ATOM 0 H VAL A 29 -2.789 -2.150 -7.672 1.00 10.00 H new ATOM 0 HA VAL A 29 -2.468 -2.303 -4.767 1.00 10.00 H new ATOM 0 HB VAL A 29 -1.641 -4.293 -6.870 1.00 10.00 H new ATOM 0 HG11 VAL A 29 -2.011 -5.893 -4.991 1.00 10.00 H new ATOM 0 HG12 VAL A 29 -0.820 -4.644 -4.557 1.00 10.00 H new ATOM 0 HG13 VAL A 29 -2.486 -4.536 -3.942 1.00 10.00 H new ATOM 0 HG21 VAL A 29 -3.847 -5.388 -6.546 1.00 10.00 H new ATOM 0 HG22 VAL A 29 -4.365 -4.024 -5.527 1.00 10.00 H new ATOM 0 HG23 VAL A 29 -4.020 -3.764 -7.254 1.00 10.00 H new ATOM 474 N TYR A 30 -0.025 -2.007 -4.580 1.00 10.00 N ATOM 475 CA TYR A 30 1.353 -1.604 -4.362 1.00 10.00 C ATOM 476 C TYR A 30 1.990 -2.602 -3.399 1.00 10.00 C ATOM 477 O TYR A 30 1.637 -2.614 -2.222 1.00 10.00 O ATOM 478 CB TYR A 30 1.362 -0.180 -3.796 1.00 10.00 C ATOM 479 CG TYR A 30 0.687 0.830 -4.699 1.00 10.00 C ATOM 480 CD1 TYR A 30 1.401 1.399 -5.762 1.00 10.00 C ATOM 481 CD2 TYR A 30 -0.691 1.072 -4.590 1.00 10.00 C ATOM 482 CE1 TYR A 30 0.762 2.273 -6.660 1.00 10.00 C ATOM 483 CE2 TYR A 30 -1.320 1.948 -5.490 1.00 10.00 C ATOM 484 CZ TYR A 30 -0.592 2.577 -6.502 1.00 10.00 C ATOM 485 OH TYR A 30 -1.218 3.386 -7.402 1.00 10.00 O ATOM 0 H TYR A 30 -0.529 -2.186 -3.711 1.00 10.00 H new ATOM 0 HA TYR A 30 1.926 -1.602 -5.289 1.00 10.00 H new ATOM 0 HB2 TYR A 30 0.864 -0.179 -2.826 1.00 10.00 H new ATOM 0 HB3 TYR A 30 2.393 0.129 -3.625 1.00 10.00 H new ATOM 0 HD1 TYR A 30 2.447 1.165 -5.892 1.00 10.00 H new ATOM 0 HD2 TYR A 30 -1.266 0.586 -3.816 1.00 10.00 H new ATOM 0 HE1 TYR A 30 1.320 2.710 -7.474 1.00 10.00 H new ATOM 0 HE2 TYR A 30 -2.379 2.137 -5.398 1.00 10.00 H new ATOM 0 HH TYR A 30 -0.797 3.285 -8.281 1.00 10.00 H new ATOM 495 N ASP A 31 2.897 -3.446 -3.897 1.00 10.00 N ATOM 496 CA ASP A 31 3.686 -4.349 -3.066 1.00 10.00 C ATOM 497 C ASP A 31 4.880 -3.566 -2.559 1.00 10.00 C ATOM 498 O ASP A 31 5.763 -3.239 -3.351 1.00 10.00 O ATOM 499 CB ASP A 31 4.194 -5.537 -3.887 1.00 10.00 C ATOM 500 CG ASP A 31 5.185 -6.414 -3.127 1.00 10.00 C ATOM 501 OD1 ASP A 31 4.928 -6.671 -1.928 1.00 10.00 O ATOM 502 OD2 ASP A 31 6.132 -6.897 -3.776 1.00 10.00 O ATOM 0 H ASP A 31 3.103 -3.520 -4.893 1.00 10.00 H new ATOM 0 HA ASP A 31 3.073 -4.730 -2.249 1.00 10.00 H new ATOM 0 HB2 ASP A 31 3.345 -6.145 -4.198 1.00 10.00 H new ATOM 0 HB3 ASP A 31 4.669 -5.166 -4.795 1.00 10.00 H new ATOM 507 N LEU A 32 4.899 -3.223 -1.272 1.00 10.00 N ATOM 508 CA LEU A 32 6.041 -2.564 -0.685 1.00 10.00 C ATOM 509 C LEU A 32 6.806 -3.568 0.169 1.00 10.00 C ATOM 510 O LEU A 32 7.677 -4.261 -0.345 1.00 10.00 O ATOM 511 CB LEU A 32 5.629 -1.265 0.015 1.00 10.00 C ATOM 512 CG LEU A 32 4.814 -0.355 -0.925 1.00 10.00 C ATOM 513 CD1 LEU A 32 3.343 -0.468 -0.525 1.00 10.00 C ATOM 514 CD2 LEU A 32 5.347 1.076 -0.870 1.00 10.00 C ATOM 0 H LEU A 32 4.131 -3.395 -0.624 1.00 10.00 H new ATOM 0 HA LEU A 32 6.741 -2.229 -1.450 1.00 10.00 H new ATOM 0 HB2 LEU A 32 5.038 -1.499 0.901 1.00 10.00 H new ATOM 0 HB3 LEU A 32 6.519 -0.735 0.356 1.00 10.00 H new ATOM 0 HG LEU A 32 4.911 -0.667 -1.965 1.00 10.00 H new ATOM 0 HD11 LEU A 32 2.740 0.167 -1.174 1.00 10.00 H new ATOM 0 HD12 LEU A 32 3.017 -1.503 -0.625 1.00 10.00 H new ATOM 0 HD13 LEU A 32 3.222 -0.148 0.510 1.00 10.00 H new ATOM 0 HD21 LEU A 32 4.762 1.708 -1.539 1.00 10.00 H new ATOM 0 HD22 LEU A 32 5.268 1.455 0.149 1.00 10.00 H new ATOM 0 HD23 LEU A 32 6.392 1.087 -1.181 1.00 10.00 H new ATOM 526 N THR A 33 6.507 -3.643 1.468 1.00 10.00 N ATOM 527 CA THR A 33 7.163 -4.498 2.451 1.00 10.00 C ATOM 528 C THR A 33 8.619 -4.076 2.702 1.00 10.00 C ATOM 529 O THR A 33 8.982 -3.649 3.794 1.00 10.00 O ATOM 530 CB THR A 33 6.924 -5.996 2.176 1.00 10.00 C ATOM 531 OG1 THR A 33 6.371 -6.580 3.344 1.00 10.00 O ATOM 532 CG2 THR A 33 8.162 -6.806 1.775 1.00 10.00 C ATOM 0 H THR A 33 5.763 -3.080 1.880 1.00 10.00 H new ATOM 0 HA THR A 33 6.682 -4.343 3.417 1.00 10.00 H new ATOM 0 HB THR A 33 6.257 -6.033 1.314 1.00 10.00 H new ATOM 0 HG1 THR A 33 6.873 -7.390 3.574 1.00 10.00 H new ATOM 0 HG21 THR A 33 7.878 -7.845 1.606 1.00 10.00 H new ATOM 0 HG22 THR A 33 8.587 -6.393 0.860 1.00 10.00 H new ATOM 0 HG23 THR A 33 8.903 -6.757 2.573 1.00 10.00 H new ATOM 540 N LYS A 34 9.457 -4.082 1.669 1.00 10.00 N ATOM 541 CA LYS A 34 10.850 -3.701 1.787 1.00 10.00 C ATOM 542 C LYS A 34 10.983 -2.187 1.970 1.00 10.00 C ATOM 543 O LYS A 34 12.079 -1.697 2.218 1.00 10.00 O ATOM 544 CB LYS A 34 11.612 -4.215 0.558 1.00 10.00 C ATOM 545 CG LYS A 34 13.030 -4.620 0.963 1.00 10.00 C ATOM 546 CD LYS A 34 13.772 -5.222 -0.235 1.00 10.00 C ATOM 547 CE LYS A 34 15.259 -5.409 0.094 1.00 10.00 C ATOM 548 NZ LYS A 34 16.043 -4.187 -0.190 1.00 10.00 N ATOM 0 H LYS A 34 9.182 -4.353 0.725 1.00 10.00 H new ATOM 0 HA LYS A 34 11.290 -4.156 2.674 1.00 10.00 H new ATOM 0 HB2 LYS A 34 11.090 -5.068 0.125 1.00 10.00 H new ATOM 0 HB3 LYS A 34 11.649 -3.441 -0.209 1.00 10.00 H new ATOM 0 HG2 LYS A 34 13.572 -3.751 1.336 1.00 10.00 H new ATOM 0 HG3 LYS A 34 12.991 -5.344 1.777 1.00 10.00 H new ATOM 0 HD2 LYS A 34 13.329 -6.182 -0.500 1.00 10.00 H new ATOM 0 HD3 LYS A 34 13.664 -4.570 -1.102 1.00 10.00 H new ATOM 0 HE2 LYS A 34 15.368 -5.674 1.146 1.00 10.00 H new ATOM 0 HE3 LYS A 34 15.658 -6.240 -0.487 1.00 10.00 H new ATOM 0 HZ1 LYS A 34 17.042 -4.353 0.045 1.00 10.00 H new ATOM 0 HZ2 LYS A 34 15.960 -3.948 -1.199 1.00 10.00 H new ATOM 0 HZ3 LYS A 34 15.679 -3.400 0.384 1.00 10.00 H new ATOM 562 N PHE A 35 9.865 -1.462 1.848 1.00 10.00 N ATOM 563 CA PHE A 35 9.781 -0.031 2.048 1.00 10.00 C ATOM 564 C PHE A 35 9.083 0.288 3.372 1.00 10.00 C ATOM 565 O PHE A 35 8.777 1.446 3.611 1.00 10.00 O ATOM 566 CB PHE A 35 8.998 0.569 0.877 1.00 10.00 C ATOM 567 CG PHE A 35 9.308 2.016 0.532 1.00 10.00 C ATOM 568 CD1 PHE A 35 10.612 2.378 0.141 1.00 10.00 C ATOM 569 CD2 PHE A 35 8.285 2.985 0.528 1.00 10.00 C ATOM 570 CE1 PHE A 35 10.895 3.704 -0.229 1.00 10.00 C ATOM 571 CE2 PHE A 35 8.565 4.306 0.135 1.00 10.00 C ATOM 572 CZ PHE A 35 9.870 4.666 -0.244 1.00 10.00 C ATOM 0 H PHE A 35 8.969 -1.881 1.598 1.00 10.00 H new ATOM 0 HA PHE A 35 10.783 0.397 2.090 1.00 10.00 H new ATOM 0 HB2 PHE A 35 9.183 -0.041 -0.007 1.00 10.00 H new ATOM 0 HB3 PHE A 35 7.934 0.491 1.101 1.00 10.00 H new ATOM 0 HD1 PHE A 35 11.396 1.635 0.126 1.00 10.00 H new ATOM 0 HD2 PHE A 35 7.284 2.713 0.827 1.00 10.00 H new ATOM 0 HE1 PHE A 35 11.902 3.984 -0.502 1.00 10.00 H new ATOM 0 HE2 PHE A 35 7.777 5.044 0.124 1.00 10.00 H new ATOM 0 HZ PHE A 35 10.085 5.680 -0.546 1.00 10.00 H new ATOM 582 N LEU A 36 8.774 -0.696 4.226 1.00 10.00 N ATOM 583 CA LEU A 36 8.110 -0.412 5.494 1.00 10.00 C ATOM 584 C LEU A 36 8.947 0.519 6.363 1.00 10.00 C ATOM 585 O LEU A 36 8.491 1.600 6.726 1.00 10.00 O ATOM 586 CB LEU A 36 7.820 -1.716 6.245 1.00 10.00 C ATOM 587 CG LEU A 36 6.765 -2.568 5.548 1.00 10.00 C ATOM 588 CD1 LEU A 36 6.816 -3.986 6.132 1.00 10.00 C ATOM 589 CD2 LEU A 36 5.365 -1.987 5.701 1.00 10.00 C ATOM 0 H LEU A 36 8.972 -1.683 4.061 1.00 10.00 H new ATOM 0 HA LEU A 36 7.168 0.090 5.273 1.00 10.00 H new ATOM 0 HB2 LEU A 36 8.742 -2.290 6.339 1.00 10.00 H new ATOM 0 HB3 LEU A 36 7.485 -1.483 7.256 1.00 10.00 H new ATOM 0 HG LEU A 36 6.985 -2.586 4.481 1.00 10.00 H new ATOM 0 HD11 LEU A 36 6.066 -4.608 5.643 1.00 10.00 H new ATOM 0 HD12 LEU A 36 7.805 -4.412 5.966 1.00 10.00 H new ATOM 0 HD13 LEU A 36 6.613 -3.946 7.202 1.00 10.00 H new ATOM 0 HD21 LEU A 36 4.647 -2.627 5.188 1.00 10.00 H new ATOM 0 HD22 LEU A 36 5.109 -1.929 6.759 1.00 10.00 H new ATOM 0 HD23 LEU A 36 5.336 -0.988 5.265 1.00 10.00 H new ATOM 601 N GLU A 37 10.168 0.096 6.694 1.00 10.00 N ATOM 602 CA GLU A 37 11.058 0.894 7.524 1.00 10.00 C ATOM 603 C GLU A 37 11.406 2.206 6.805 1.00 10.00 C ATOM 604 O GLU A 37 11.510 3.260 7.427 1.00 10.00 O ATOM 605 CB GLU A 37 12.317 0.084 7.879 1.00 10.00 C ATOM 606 CG GLU A 37 12.770 0.359 9.322 1.00 10.00 C ATOM 607 CD GLU A 37 14.285 0.300 9.463 1.00 10.00 C ATOM 608 OE1 GLU A 37 14.843 -0.775 9.152 1.00 10.00 O ATOM 609 OE2 GLU A 37 14.861 1.337 9.857 1.00 10.00 O ATOM 0 H GLU A 37 10.560 -0.798 6.397 1.00 10.00 H new ATOM 0 HA GLU A 37 10.557 1.149 8.458 1.00 10.00 H new ATOM 0 HB2 GLU A 37 12.114 -0.980 7.756 1.00 10.00 H new ATOM 0 HB3 GLU A 37 13.122 0.337 7.189 1.00 10.00 H new ATOM 0 HG2 GLU A 37 12.415 1.341 9.633 1.00 10.00 H new ATOM 0 HG3 GLU A 37 12.315 -0.371 9.991 1.00 10.00 H new ATOM 616 N GLU A 38 11.572 2.134 5.478 1.00 10.00 N ATOM 617 CA GLU A 38 11.907 3.279 4.647 1.00 10.00 C ATOM 618 C GLU A 38 10.796 4.324 4.681 1.00 10.00 C ATOM 619 O GLU A 38 11.073 5.516 4.781 1.00 10.00 O ATOM 620 CB GLU A 38 12.134 2.818 3.206 1.00 10.00 C ATOM 621 CG GLU A 38 13.347 1.885 3.066 1.00 10.00 C ATOM 622 CD GLU A 38 14.313 2.391 2.000 1.00 10.00 C ATOM 623 OE1 GLU A 38 14.852 3.500 2.207 1.00 10.00 O ATOM 624 OE2 GLU A 38 14.476 1.675 0.988 1.00 10.00 O ATOM 0 H GLU A 38 11.475 1.265 4.953 1.00 10.00 H new ATOM 0 HA GLU A 38 12.818 3.733 5.038 1.00 10.00 H new ATOM 0 HB2 GLU A 38 11.242 2.304 2.849 1.00 10.00 H new ATOM 0 HB3 GLU A 38 12.276 3.690 2.568 1.00 10.00 H new ATOM 0 HG2 GLU A 38 13.864 1.810 4.023 1.00 10.00 H new ATOM 0 HG3 GLU A 38 13.009 0.882 2.807 1.00 10.00 H new ATOM 631 N HIS A 39 9.546 3.873 4.541 1.00 10.00 N ATOM 632 CA HIS A 39 8.371 4.723 4.458 1.00 10.00 C ATOM 633 C HIS A 39 8.357 5.668 5.658 1.00 10.00 C ATOM 634 O HIS A 39 8.125 5.213 6.780 1.00 10.00 O ATOM 635 CB HIS A 39 7.093 3.882 4.425 1.00 10.00 C ATOM 636 CG HIS A 39 5.832 4.703 4.509 1.00 10.00 C ATOM 637 ND1 HIS A 39 4.919 4.650 5.535 1.00 10.00 N ATOM 638 CD2 HIS A 39 5.333 5.539 3.545 1.00 10.00 C ATOM 639 CE1 HIS A 39 3.886 5.428 5.183 1.00 10.00 C ATOM 640 NE2 HIS A 39 4.087 6.002 3.981 1.00 10.00 N ATOM 0 H HIS A 39 9.325 2.879 4.481 1.00 10.00 H new ATOM 0 HA HIS A 39 8.411 5.303 3.536 1.00 10.00 H new ATOM 0 HB2 HIS A 39 7.076 3.297 3.505 1.00 10.00 H new ATOM 0 HB3 HIS A 39 7.112 3.174 5.253 1.00 10.00 H new ATOM 0 HD2 HIS A 39 5.816 5.795 2.614 1.00 10.00 H new ATOM 0 HE1 HIS A 39 3.003 5.576 5.787 1.00 10.00 H new ATOM 0 HE2 HIS A 39 3.461 6.641 3.491 1.00 10.00 H new ATOM 648 N PRO A 40 8.580 6.974 5.449 1.00 10.00 N ATOM 649 CA PRO A 40 8.653 7.932 6.533 1.00 10.00 C ATOM 650 C PRO A 40 7.238 8.253 7.026 1.00 10.00 C ATOM 651 O PRO A 40 6.750 9.368 6.892 1.00 10.00 O ATOM 652 CB PRO A 40 9.424 9.130 5.962 1.00 10.00 C ATOM 653 CG PRO A 40 9.320 9.014 4.437 1.00 10.00 C ATOM 654 CD PRO A 40 8.825 7.598 4.158 1.00 10.00 C ATOM 0 HA PRO A 40 9.175 7.568 7.418 1.00 10.00 H new ATOM 0 HB2 PRO A 40 8.998 10.070 6.311 1.00 10.00 H new ATOM 0 HB3 PRO A 40 10.465 9.113 6.284 1.00 10.00 H new ATOM 0 HG2 PRO A 40 8.629 9.755 4.035 1.00 10.00 H new ATOM 0 HG3 PRO A 40 10.287 9.190 3.965 1.00 10.00 H new ATOM 0 HD2 PRO A 40 7.914 7.618 3.560 1.00 10.00 H new ATOM 0 HD3 PRO A 40 9.566 7.035 3.591 1.00 10.00 H new ATOM 662 N GLY A 41 6.555 7.260 7.597 1.00 10.00 N ATOM 663 CA GLY A 41 5.185 7.429 8.031 1.00 10.00 C ATOM 664 C GLY A 41 4.652 6.173 8.694 1.00 10.00 C ATOM 665 O GLY A 41 3.595 5.674 8.318 1.00 10.00 O ATOM 0 H GLY A 41 6.938 6.330 7.766 1.00 10.00 H new ATOM 0 HA2 GLY A 41 5.124 8.264 8.729 1.00 10.00 H new ATOM 0 HA3 GLY A 41 4.560 7.683 7.175 1.00 10.00 H new ATOM 669 N GLY A 42 5.390 5.672 9.687 1.00 10.00 N ATOM 670 CA GLY A 42 4.973 4.537 10.490 1.00 10.00 C ATOM 671 C GLY A 42 4.943 3.245 9.672 1.00 10.00 C ATOM 672 O GLY A 42 3.979 2.954 8.963 1.00 10.00 O ATOM 0 H GLY A 42 6.299 6.050 9.953 1.00 10.00 H new ATOM 0 HA2 GLY A 42 5.654 4.418 11.333 1.00 10.00 H new ATOM 0 HA3 GLY A 42 3.983 4.728 10.904 1.00 10.00 H new ATOM 676 N GLU A 43 5.977 2.417 9.817 1.00 10.00 N ATOM 677 CA GLU A 43 5.985 1.090 9.223 1.00 10.00 C ATOM 678 C GLU A 43 4.713 0.334 9.625 1.00 10.00 C ATOM 679 O GLU A 43 3.988 -0.201 8.787 1.00 10.00 O ATOM 680 CB GLU A 43 7.267 0.366 9.648 1.00 10.00 C ATOM 681 CG GLU A 43 7.384 0.083 11.151 1.00 10.00 C ATOM 682 CD GLU A 43 8.760 -0.466 11.487 1.00 10.00 C ATOM 683 OE1 GLU A 43 9.139 -1.456 10.826 1.00 10.00 O ATOM 684 OE2 GLU A 43 9.381 0.105 12.406 1.00 10.00 O ATOM 0 H GLU A 43 6.820 2.647 10.343 1.00 10.00 H new ATOM 0 HA GLU A 43 5.983 1.151 8.135 1.00 10.00 H new ATOM 0 HB2 GLU A 43 7.328 -0.580 9.110 1.00 10.00 H new ATOM 0 HB3 GLU A 43 8.124 0.964 9.338 1.00 10.00 H new ATOM 0 HG2 GLU A 43 7.205 0.999 11.714 1.00 10.00 H new ATOM 0 HG3 GLU A 43 6.618 -0.631 11.453 1.00 10.00 H new ATOM 691 N ALA A 44 4.410 0.354 10.927 1.00 10.00 N ATOM 692 CA ALA A 44 3.248 -0.302 11.495 1.00 10.00 C ATOM 693 C ALA A 44 1.956 0.236 10.889 1.00 10.00 C ATOM 694 O ALA A 44 1.030 -0.536 10.687 1.00 10.00 O ATOM 695 CB ALA A 44 3.237 -0.149 13.017 1.00 10.00 C ATOM 0 H ALA A 44 4.981 0.837 11.620 1.00 10.00 H new ATOM 0 HA ALA A 44 3.310 -1.363 11.254 1.00 10.00 H new ATOM 0 HB1 ALA A 44 2.358 -0.647 13.426 1.00 10.00 H new ATOM 0 HB2 ALA A 44 4.137 -0.600 13.435 1.00 10.00 H new ATOM 0 HB3 ALA A 44 3.208 0.909 13.276 1.00 10.00 H new ATOM 701 N VAL A 45 1.884 1.534 10.585 1.00 10.00 N ATOM 702 CA VAL A 45 0.734 2.135 9.917 1.00 10.00 C ATOM 703 C VAL A 45 0.590 1.506 8.530 1.00 10.00 C ATOM 704 O VAL A 45 -0.461 0.942 8.210 1.00 10.00 O ATOM 705 CB VAL A 45 0.903 3.667 9.898 1.00 10.00 C ATOM 706 CG1 VAL A 45 0.007 4.378 8.883 1.00 10.00 C ATOM 707 CG2 VAL A 45 0.654 4.248 11.296 1.00 10.00 C ATOM 0 H VAL A 45 2.628 2.199 10.798 1.00 10.00 H new ATOM 0 HA VAL A 45 -0.196 1.937 10.451 1.00 10.00 H new ATOM 0 HB VAL A 45 1.932 3.847 9.586 1.00 10.00 H new ATOM 0 HG11 VAL A 45 0.185 5.452 8.931 1.00 10.00 H new ATOM 0 HG12 VAL A 45 0.235 4.017 7.880 1.00 10.00 H new ATOM 0 HG13 VAL A 45 -1.038 4.172 9.114 1.00 10.00 H new ATOM 0 HG21 VAL A 45 0.777 5.331 11.267 1.00 10.00 H new ATOM 0 HG22 VAL A 45 -0.360 4.006 11.615 1.00 10.00 H new ATOM 0 HG23 VAL A 45 1.368 3.820 12.000 1.00 10.00 H new ATOM 717 N LEU A 46 1.664 1.542 7.732 1.00 10.00 N ATOM 718 CA LEU A 46 1.667 0.891 6.425 1.00 10.00 C ATOM 719 C LEU A 46 1.285 -0.592 6.540 1.00 10.00 C ATOM 720 O LEU A 46 0.642 -1.129 5.642 1.00 10.00 O ATOM 721 CB LEU A 46 3.009 1.087 5.692 1.00 10.00 C ATOM 722 CG LEU A 46 2.887 1.900 4.389 1.00 10.00 C ATOM 723 CD1 LEU A 46 4.249 1.974 3.692 1.00 10.00 C ATOM 724 CD2 LEU A 46 1.913 1.265 3.394 1.00 10.00 C ATOM 0 H LEU A 46 2.536 2.014 7.971 1.00 10.00 H new ATOM 0 HA LEU A 46 0.904 1.375 5.816 1.00 10.00 H new ATOM 0 HB2 LEU A 46 3.708 1.590 6.360 1.00 10.00 H new ATOM 0 HB3 LEU A 46 3.434 0.110 5.462 1.00 10.00 H new ATOM 0 HG LEU A 46 2.521 2.886 4.675 1.00 10.00 H new ATOM 0 HD11 LEU A 46 4.156 2.550 2.771 1.00 10.00 H new ATOM 0 HD12 LEU A 46 4.969 2.458 4.352 1.00 10.00 H new ATOM 0 HD13 LEU A 46 4.592 0.967 3.456 1.00 10.00 H new ATOM 0 HD21 LEU A 46 1.863 1.876 2.493 1.00 10.00 H new ATOM 0 HD22 LEU A 46 2.259 0.264 3.135 1.00 10.00 H new ATOM 0 HD23 LEU A 46 0.923 1.201 3.845 1.00 10.00 H new ATOM 736 N ARG A 47 1.665 -1.252 7.640 1.00 10.00 N ATOM 737 CA ARG A 47 1.428 -2.675 7.845 1.00 10.00 C ATOM 738 C ARG A 47 -0.010 -2.949 8.300 1.00 10.00 C ATOM 739 O ARG A 47 -0.627 -3.910 7.858 1.00 10.00 O ATOM 740 CB ARG A 47 2.481 -3.248 8.806 1.00 10.00 C ATOM 741 CG ARG A 47 2.793 -4.730 8.527 1.00 10.00 C ATOM 742 CD ARG A 47 1.926 -5.684 9.354 1.00 10.00 C ATOM 743 NE ARG A 47 2.350 -5.671 10.762 1.00 10.00 N ATOM 744 CZ ARG A 47 1.668 -6.204 11.788 1.00 10.00 C ATOM 745 NH1 ARG A 47 0.472 -6.765 11.578 1.00 10.00 N ATOM 746 NH2 ARG A 47 2.196 -6.177 13.017 1.00 10.00 N ATOM 0 H ARG A 47 2.150 -0.804 8.417 1.00 10.00 H new ATOM 0 HA ARG A 47 1.538 -3.193 6.892 1.00 10.00 H new ATOM 0 HB2 ARG A 47 3.399 -2.665 8.723 1.00 10.00 H new ATOM 0 HB3 ARG A 47 2.128 -3.142 9.832 1.00 10.00 H new ATOM 0 HG2 ARG A 47 2.642 -4.935 7.467 1.00 10.00 H new ATOM 0 HG3 ARG A 47 3.844 -4.922 8.742 1.00 10.00 H new ATOM 0 HD2 ARG A 47 0.879 -5.391 9.280 1.00 10.00 H new ATOM 0 HD3 ARG A 47 2.003 -6.695 8.954 1.00 10.00 H new ATOM 0 HE ARG A 47 3.238 -5.218 10.977 1.00 10.00 H new ATOM 0 HH11 ARG A 47 0.078 -6.788 10.638 1.00 10.00 H new ATOM 0 HH12 ARG A 47 -0.046 -7.170 12.358 1.00 10.00 H new ATOM 0 HH21 ARG A 47 3.111 -5.753 13.170 1.00 10.00 H new ATOM 0 HH22 ARG A 47 1.683 -6.580 13.801 1.00 10.00 H new ATOM 760 N ALA A 48 -0.560 -2.113 9.177 1.00 10.00 N ATOM 761 CA ALA A 48 -1.924 -2.225 9.678 1.00 10.00 C ATOM 762 C ALA A 48 -2.915 -2.038 8.538 1.00 10.00 C ATOM 763 O ALA A 48 -3.901 -2.763 8.444 1.00 10.00 O ATOM 764 CB ALA A 48 -2.160 -1.182 10.777 1.00 10.00 C ATOM 0 H ALA A 48 -0.054 -1.318 9.568 1.00 10.00 H new ATOM 0 HA ALA A 48 -2.072 -3.218 10.102 1.00 10.00 H new ATOM 0 HB1 ALA A 48 -3.181 -1.270 11.148 1.00 10.00 H new ATOM 0 HB2 ALA A 48 -1.460 -1.351 11.595 1.00 10.00 H new ATOM 0 HB3 ALA A 48 -2.007 -0.183 10.369 1.00 10.00 H new ATOM 770 N GLN A 49 -2.644 -1.063 7.671 1.00 10.00 N ATOM 771 CA GLN A 49 -3.436 -0.850 6.474 1.00 10.00 C ATOM 772 C GLN A 49 -3.101 -1.856 5.369 1.00 10.00 C ATOM 773 O GLN A 49 -3.795 -1.910 4.355 1.00 10.00 O ATOM 774 CB GLN A 49 -3.194 0.584 6.006 1.00 10.00 C ATOM 775 CG GLN A 49 -4.169 1.577 6.657 1.00 10.00 C ATOM 776 CD GLN A 49 -5.630 1.304 6.307 1.00 10.00 C ATOM 777 OE1 GLN A 49 -5.930 0.532 5.407 1.00 10.00 O ATOM 778 NE2 GLN A 49 -6.563 1.943 7.005 1.00 10.00 N ATOM 0 H GLN A 49 -1.872 -0.405 7.783 1.00 10.00 H new ATOM 0 HA GLN A 49 -4.490 -1.004 6.706 1.00 10.00 H new ATOM 0 HB2 GLN A 49 -2.170 0.874 6.242 1.00 10.00 H new ATOM 0 HB3 GLN A 49 -3.297 0.633 4.922 1.00 10.00 H new ATOM 0 HG2 GLN A 49 -4.048 1.538 7.740 1.00 10.00 H new ATOM 0 HG3 GLN A 49 -3.910 2.588 6.344 1.00 10.00 H new ATOM 0 HE21 GLN A 49 -6.292 2.583 7.752 1.00 10.00 H new ATOM 0 HE22 GLN A 49 -7.550 1.794 6.794 1.00 10.00 H new ATOM 787 N ALA A 50 -2.033 -2.640 5.535 1.00 10.00 N ATOM 788 CA ALA A 50 -1.693 -3.654 4.555 1.00 10.00 C ATOM 789 C ALA A 50 -2.791 -4.705 4.452 1.00 10.00 C ATOM 790 O ALA A 50 -3.471 -5.011 5.429 1.00 10.00 O ATOM 791 CB ALA A 50 -0.370 -4.340 4.872 1.00 10.00 C ATOM 0 H ALA A 50 -1.399 -2.588 6.333 1.00 10.00 H new ATOM 0 HA ALA A 50 -1.591 -3.138 3.600 1.00 10.00 H new ATOM 0 HB1 ALA A 50 -0.158 -5.091 4.111 1.00 10.00 H new ATOM 0 HB2 ALA A 50 0.430 -3.600 4.884 1.00 10.00 H new ATOM 0 HB3 ALA A 50 -0.434 -4.821 5.848 1.00 10.00 H new ATOM 797 N GLY A 51 -2.930 -5.289 3.264 1.00 10.00 N ATOM 798 CA GLY A 51 -3.978 -6.230 2.950 1.00 10.00 C ATOM 799 C GLY A 51 -5.328 -5.597 3.245 1.00 10.00 C ATOM 800 O GLY A 51 -6.069 -6.077 4.095 1.00 10.00 O ATOM 0 H GLY A 51 -2.299 -5.111 2.483 1.00 10.00 H new ATOM 0 HA2 GLY A 51 -3.921 -6.519 1.900 1.00 10.00 H new ATOM 0 HA3 GLY A 51 -3.854 -7.139 3.538 1.00 10.00 H new ATOM 804 N GLY A 52 -5.647 -4.513 2.542 1.00 10.00 N ATOM 805 CA GLY A 52 -6.929 -3.859 2.684 1.00 10.00 C ATOM 806 C GLY A 52 -6.981 -2.621 1.801 1.00 10.00 C ATOM 807 O GLY A 52 -5.995 -2.262 1.144 1.00 10.00 O ATOM 0 H GLY A 52 -5.024 -4.072 1.865 1.00 10.00 H new ATOM 0 HA2 GLY A 52 -7.730 -4.546 2.409 1.00 10.00 H new ATOM 0 HA3 GLY A 52 -7.091 -3.580 3.725 1.00 10.00 H new ATOM 811 N ASP A 53 -8.147 -1.975 1.789 1.00 10.00 N ATOM 812 CA ASP A 53 -8.329 -0.658 1.226 1.00 10.00 C ATOM 813 C ASP A 53 -7.682 0.343 2.172 1.00 10.00 C ATOM 814 O ASP A 53 -8.163 0.587 3.275 1.00 10.00 O ATOM 815 CB ASP A 53 -9.823 -0.371 1.024 1.00 10.00 C ATOM 816 CG ASP A 53 -10.627 -0.482 2.315 1.00 10.00 C ATOM 817 OD1 ASP A 53 -10.542 -1.573 2.926 1.00 10.00 O ATOM 818 OD2 ASP A 53 -11.308 0.511 2.649 1.00 10.00 O ATOM 0 H ASP A 53 -9.002 -2.370 2.181 1.00 10.00 H new ATOM 0 HA ASP A 53 -7.859 -0.583 0.246 1.00 10.00 H new ATOM 0 HB2 ASP A 53 -9.943 0.631 0.612 1.00 10.00 H new ATOM 0 HB3 ASP A 53 -10.226 -1.068 0.290 1.00 10.00 H new ATOM 823 N ALA A 54 -6.578 0.940 1.728 1.00 10.00 N ATOM 824 CA ALA A 54 -5.910 1.983 2.488 1.00 10.00 C ATOM 825 C ALA A 54 -5.992 3.300 1.745 1.00 10.00 C ATOM 826 O ALA A 54 -5.290 4.241 2.094 1.00 10.00 O ATOM 827 CB ALA A 54 -4.463 1.584 2.730 1.00 10.00 C ATOM 0 H ALA A 54 -6.129 0.715 0.841 1.00 10.00 H new ATOM 0 HA ALA A 54 -6.404 2.108 3.452 1.00 10.00 H new ATOM 0 HB1 ALA A 54 -3.961 2.365 3.300 1.00 10.00 H new ATOM 0 HB2 ALA A 54 -4.432 0.649 3.290 1.00 10.00 H new ATOM 0 HB3 ALA A 54 -3.958 1.451 1.774 1.00 10.00 H new ATOM 833 N THR A 55 -6.840 3.384 0.721 1.00 10.00 N ATOM 834 CA THR A 55 -6.970 4.578 -0.088 1.00 10.00 C ATOM 835 C THR A 55 -7.391 5.746 0.807 1.00 10.00 C ATOM 836 O THR A 55 -6.747 6.793 0.827 1.00 10.00 O ATOM 837 CB THR A 55 -7.958 4.292 -1.225 1.00 10.00 C ATOM 838 OG1 THR A 55 -7.617 3.101 -1.918 1.00 10.00 O ATOM 839 CG2 THR A 55 -7.898 5.422 -2.244 1.00 10.00 C ATOM 0 H THR A 55 -7.454 2.621 0.435 1.00 10.00 H new ATOM 0 HA THR A 55 -6.023 4.861 -0.547 1.00 10.00 H new ATOM 0 HB THR A 55 -8.948 4.196 -0.779 1.00 10.00 H new ATOM 0 HG1 THR A 55 -6.943 2.606 -1.406 1.00 10.00 H new ATOM 0 HG21 THR A 55 -8.600 5.220 -3.053 1.00 10.00 H new ATOM 0 HG22 THR A 55 -8.162 6.362 -1.760 1.00 10.00 H new ATOM 0 HG23 THR A 55 -6.889 5.494 -2.649 1.00 10.00 H new ATOM 847 N ALA A 56 -8.440 5.526 1.604 1.00 10.00 N ATOM 848 CA ALA A 56 -8.928 6.507 2.558 1.00 10.00 C ATOM 849 C ALA A 56 -7.826 6.904 3.536 1.00 10.00 C ATOM 850 O ALA A 56 -7.700 8.074 3.866 1.00 10.00 O ATOM 851 CB ALA A 56 -10.145 5.952 3.303 1.00 10.00 C ATOM 0 H ALA A 56 -8.972 4.656 1.600 1.00 10.00 H new ATOM 0 HA ALA A 56 -9.231 7.403 2.016 1.00 10.00 H new ATOM 0 HB1 ALA A 56 -10.504 6.694 4.016 1.00 10.00 H new ATOM 0 HB2 ALA A 56 -10.936 5.723 2.588 1.00 10.00 H new ATOM 0 HB3 ALA A 56 -9.863 5.044 3.835 1.00 10.00 H new ATOM 857 N ASN A 57 -7.026 5.942 4.002 1.00 10.00 N ATOM 858 CA ASN A 57 -5.967 6.207 4.965 1.00 10.00 C ATOM 859 C ASN A 57 -4.881 7.069 4.321 1.00 10.00 C ATOM 860 O ASN A 57 -4.525 8.121 4.840 1.00 10.00 O ATOM 861 CB ASN A 57 -5.403 4.888 5.511 1.00 10.00 C ATOM 862 CG ASN A 57 -5.102 4.996 7.003 1.00 10.00 C ATOM 863 OD1 ASN A 57 -6.133 4.903 7.838 1.00 10.00 O flip ATOM 864 ND2 ASN A 57 -3.958 5.138 7.415 1.00 10.00 N flip ATOM 0 H ASN A 57 -7.097 4.964 3.721 1.00 10.00 H new ATOM 0 HA ASN A 57 -6.374 6.762 5.810 1.00 10.00 H new ATOM 0 HB2 ASN A 57 -6.118 4.084 5.338 1.00 10.00 H new ATOM 0 HB3 ASN A 57 -4.493 4.627 4.971 1.00 10.00 H new ATOM 0 HD21 ASN A 57 -3.183 5.207 6.755 1.00 10.00 H new ATOM 0 HD22 ASN A 57 -3.780 5.187 8.418 1.00 10.00 H new ATOM 871 N PHE A 58 -4.386 6.631 3.161 1.00 10.00 N ATOM 872 CA PHE A 58 -3.408 7.340 2.348 1.00 10.00 C ATOM 873 C PHE A 58 -3.830 8.799 2.152 1.00 10.00 C ATOM 874 O PHE A 58 -3.051 9.717 2.414 1.00 10.00 O ATOM 875 CB PHE A 58 -3.263 6.599 1.010 1.00 10.00 C ATOM 876 CG PHE A 58 -2.293 7.208 0.016 1.00 10.00 C ATOM 877 CD1 PHE A 58 -2.746 8.137 -0.937 1.00 10.00 C ATOM 878 CD2 PHE A 58 -0.953 6.788 -0.009 1.00 10.00 C ATOM 879 CE1 PHE A 58 -1.857 8.659 -1.891 1.00 10.00 C ATOM 880 CE2 PHE A 58 -0.069 7.282 -0.985 1.00 10.00 C ATOM 881 CZ PHE A 58 -0.523 8.216 -1.931 1.00 10.00 C ATOM 0 H PHE A 58 -4.668 5.740 2.752 1.00 10.00 H new ATOM 0 HA PHE A 58 -2.440 7.359 2.848 1.00 10.00 H new ATOM 0 HB2 PHE A 58 -2.947 5.576 1.216 1.00 10.00 H new ATOM 0 HB3 PHE A 58 -4.245 6.541 0.541 1.00 10.00 H new ATOM 0 HD1 PHE A 58 -3.780 8.450 -0.936 1.00 10.00 H new ATOM 0 HD2 PHE A 58 -0.599 6.081 0.726 1.00 10.00 H new ATOM 0 HE1 PHE A 58 -2.199 9.403 -2.596 1.00 10.00 H new ATOM 0 HE2 PHE A 58 0.957 6.944 -1.007 1.00 10.00 H new ATOM 0 HZ PHE A 58 0.150 8.593 -2.687 1.00 10.00 H new ATOM 891 N GLU A 59 -5.068 9.005 1.699 1.00 10.00 N ATOM 892 CA GLU A 59 -5.626 10.329 1.461 1.00 10.00 C ATOM 893 C GLU A 59 -5.773 11.117 2.765 1.00 10.00 C ATOM 894 O GLU A 59 -5.346 12.265 2.847 1.00 10.00 O ATOM 895 CB GLU A 59 -6.981 10.171 0.771 1.00 10.00 C ATOM 896 CG GLU A 59 -6.814 9.633 -0.653 1.00 10.00 C ATOM 897 CD GLU A 59 -6.717 10.764 -1.670 1.00 10.00 C ATOM 898 OE1 GLU A 59 -5.579 11.212 -1.927 1.00 10.00 O ATOM 899 OE2 GLU A 59 -7.785 11.112 -2.217 1.00 10.00 O ATOM 0 H GLU A 59 -5.715 8.246 1.486 1.00 10.00 H new ATOM 0 HA GLU A 59 -4.947 10.893 0.822 1.00 10.00 H new ATOM 0 HB2 GLU A 59 -7.610 9.493 1.348 1.00 10.00 H new ATOM 0 HB3 GLU A 59 -7.492 11.133 0.742 1.00 10.00 H new ATOM 0 HG2 GLU A 59 -5.917 9.016 -0.707 1.00 10.00 H new ATOM 0 HG3 GLU A 59 -7.659 8.990 -0.902 1.00 10.00 H new ATOM 906 N ALA A 60 -6.395 10.506 3.777 1.00 10.00 N ATOM 907 CA ALA A 60 -6.643 11.117 5.078 1.00 10.00 C ATOM 908 C ALA A 60 -5.343 11.635 5.685 1.00 10.00 C ATOM 909 O ALA A 60 -5.305 12.731 6.237 1.00 10.00 O ATOM 910 CB ALA A 60 -7.307 10.103 6.015 1.00 10.00 C ATOM 0 H ALA A 60 -6.747 9.551 3.709 1.00 10.00 H new ATOM 0 HA ALA A 60 -7.316 11.964 4.944 1.00 10.00 H new ATOM 0 HB1 ALA A 60 -7.489 10.568 6.984 1.00 10.00 H new ATOM 0 HB2 ALA A 60 -8.254 9.777 5.586 1.00 10.00 H new ATOM 0 HB3 ALA A 60 -6.651 9.242 6.143 1.00 10.00 H new ATOM 916 N VAL A 61 -4.281 10.836 5.582 1.00 10.00 N ATOM 917 CA VAL A 61 -2.945 11.240 5.978 1.00 10.00 C ATOM 918 C VAL A 61 -2.484 12.392 5.076 1.00 10.00 C ATOM 919 O VAL A 61 -2.124 13.457 5.574 1.00 10.00 O ATOM 920 CB VAL A 61 -2.014 10.020 5.905 1.00 10.00 C ATOM 921 CG1 VAL A 61 -0.550 10.421 6.125 1.00 10.00 C ATOM 922 CG2 VAL A 61 -2.418 8.952 6.940 1.00 10.00 C ATOM 0 H VAL A 61 -4.331 9.885 5.218 1.00 10.00 H new ATOM 0 HA VAL A 61 -2.929 11.604 7.005 1.00 10.00 H new ATOM 0 HB VAL A 61 -2.114 9.599 4.904 1.00 10.00 H new ATOM 0 HG11 VAL A 61 0.083 9.535 6.067 1.00 10.00 H new ATOM 0 HG12 VAL A 61 -0.248 11.133 5.357 1.00 10.00 H new ATOM 0 HG13 VAL A 61 -0.442 10.880 7.108 1.00 10.00 H new ATOM 0 HG21 VAL A 61 -1.742 8.100 6.866 1.00 10.00 H new ATOM 0 HG22 VAL A 61 -2.359 9.376 7.942 1.00 10.00 H new ATOM 0 HG23 VAL A 61 -3.439 8.624 6.744 1.00 10.00 H new ATOM 932 N GLY A 62 -2.483 12.174 3.758 1.00 10.00 N ATOM 933 CA GLY A 62 -2.053 13.157 2.775 1.00 10.00 C ATOM 934 C GLY A 62 -0.729 12.732 2.145 1.00 10.00 C ATOM 935 O GLY A 62 0.173 12.277 2.845 1.00 10.00 O ATOM 0 H GLY A 62 -2.787 11.293 3.343 1.00 10.00 H new ATOM 0 HA2 GLY A 62 -2.814 13.265 2.002 1.00 10.00 H new ATOM 0 HA3 GLY A 62 -1.941 14.132 3.250 1.00 10.00 H new ATOM 939 N HIS A 63 -0.624 12.859 0.818 1.00 10.00 N ATOM 940 CA HIS A 63 0.517 12.405 0.035 1.00 10.00 C ATOM 941 C HIS A 63 0.609 13.248 -1.242 1.00 10.00 C ATOM 942 O HIS A 63 -0.282 13.188 -2.087 1.00 10.00 O ATOM 943 CB HIS A 63 0.321 10.926 -0.317 1.00 10.00 C ATOM 944 CG HIS A 63 0.575 9.963 0.819 1.00 10.00 C ATOM 945 ND1 HIS A 63 -0.371 9.480 1.690 1.00 10.00 N ATOM 946 CD2 HIS A 63 1.759 9.339 1.113 1.00 10.00 C ATOM 947 CE1 HIS A 63 0.237 8.591 2.494 1.00 10.00 C ATOM 948 NE2 HIS A 63 1.535 8.449 2.172 1.00 10.00 N ATOM 0 H HIS A 63 -1.352 13.292 0.250 1.00 10.00 H new ATOM 0 HA HIS A 63 1.440 12.517 0.604 1.00 10.00 H new ATOM 0 HB2 HIS A 63 -0.699 10.784 -0.673 1.00 10.00 H new ATOM 0 HB3 HIS A 63 0.985 10.673 -1.144 1.00 10.00 H new ATOM 0 HD1 HIS A 63 -1.355 9.747 1.721 1.00 10.00 H new ATOM 0 HD2 HIS A 63 2.703 9.505 0.614 1.00 10.00 H new ATOM 0 HE1 HIS A 63 -0.254 8.059 3.296 1.00 10.00 H new ATOM 956 N SER A 64 1.674 14.043 -1.378 1.00 10.00 N ATOM 957 CA SER A 64 1.891 14.921 -2.520 1.00 10.00 C ATOM 958 C SER A 64 2.169 14.141 -3.810 1.00 10.00 C ATOM 959 O SER A 64 2.386 12.929 -3.793 1.00 10.00 O ATOM 960 CB SER A 64 3.061 15.857 -2.195 1.00 10.00 C ATOM 961 OG SER A 64 2.893 16.374 -0.889 1.00 10.00 O ATOM 0 H SER A 64 2.419 14.092 -0.683 1.00 10.00 H new ATOM 0 HA SER A 64 0.981 15.494 -2.697 1.00 10.00 H new ATOM 0 HB2 SER A 64 4.005 15.317 -2.267 1.00 10.00 H new ATOM 0 HB3 SER A 64 3.103 16.671 -2.919 1.00 10.00 H new ATOM 0 HG SER A 64 3.639 16.972 -0.675 1.00 10.00 H new ATOM 967 N THR A 65 2.220 14.859 -4.935 1.00 10.00 N ATOM 968 CA THR A 65 2.439 14.329 -6.271 1.00 10.00 C ATOM 969 C THR A 65 3.619 13.364 -6.290 1.00 10.00 C ATOM 970 O THR A 65 3.533 12.284 -6.863 1.00 10.00 O ATOM 971 CB THR A 65 2.680 15.499 -7.235 1.00 10.00 C ATOM 972 OG1 THR A 65 1.820 16.565 -6.877 1.00 10.00 O ATOM 973 CG2 THR A 65 2.430 15.081 -8.687 1.00 10.00 C ATOM 0 H THR A 65 2.104 15.872 -4.932 1.00 10.00 H new ATOM 0 HA THR A 65 1.557 13.771 -6.586 1.00 10.00 H new ATOM 0 HB THR A 65 3.720 15.815 -7.160 1.00 10.00 H new ATOM 0 HG1 THR A 65 1.965 17.320 -7.484 1.00 10.00 H new ATOM 0 HG21 THR A 65 2.609 15.931 -9.346 1.00 10.00 H new ATOM 0 HG22 THR A 65 3.105 14.267 -8.953 1.00 10.00 H new ATOM 0 HG23 THR A 65 1.398 14.747 -8.797 1.00 10.00 H new ATOM 981 N ASP A 66 4.708 13.751 -5.624 1.00 10.00 N ATOM 982 CA ASP A 66 5.895 12.927 -5.498 1.00 10.00 C ATOM 983 C ASP A 66 5.524 11.536 -5.006 1.00 10.00 C ATOM 984 O ASP A 66 5.855 10.542 -5.639 1.00 10.00 O ATOM 985 CB ASP A 66 6.878 13.596 -4.525 1.00 10.00 C ATOM 986 CG ASP A 66 8.305 13.472 -5.028 1.00 10.00 C ATOM 987 OD1 ASP A 66 8.586 14.120 -6.058 1.00 10.00 O ATOM 988 OD2 ASP A 66 9.080 12.746 -4.371 1.00 10.00 O ATOM 0 H ASP A 66 4.784 14.654 -5.156 1.00 10.00 H new ATOM 0 HA ASP A 66 6.369 12.827 -6.474 1.00 10.00 H new ATOM 0 HB2 ASP A 66 6.620 14.648 -4.407 1.00 10.00 H new ATOM 0 HB3 ASP A 66 6.793 13.134 -3.541 1.00 10.00 H new ATOM 993 N ALA A 67 4.772 11.462 -3.906 1.00 10.00 N ATOM 994 CA ALA A 67 4.361 10.180 -3.353 1.00 10.00 C ATOM 995 C ALA A 67 3.390 9.510 -4.341 1.00 10.00 C ATOM 996 O ALA A 67 3.498 8.312 -4.565 1.00 10.00 O ATOM 997 CB ALA A 67 3.655 10.394 -2.015 1.00 10.00 C ATOM 0 H ALA A 67 4.439 12.274 -3.386 1.00 10.00 H new ATOM 0 HA ALA A 67 5.235 9.549 -3.195 1.00 10.00 H new ATOM 0 HB1 ALA A 67 3.350 9.431 -1.606 1.00 10.00 H new ATOM 0 HB2 ALA A 67 4.336 10.884 -1.319 1.00 10.00 H new ATOM 0 HB3 ALA A 67 2.775 11.020 -2.164 1.00 10.00 H new ATOM 1003 N ARG A 68 2.449 10.261 -4.938 1.00 10.00 N ATOM 1004 CA ARG A 68 1.491 9.734 -5.920 1.00 10.00 C ATOM 1005 C ARG A 68 2.217 9.007 -7.065 1.00 10.00 C ATOM 1006 O ARG A 68 1.787 7.943 -7.514 1.00 10.00 O ATOM 1007 CB ARG A 68 0.609 10.861 -6.500 1.00 10.00 C ATOM 1008 CG ARG A 68 -0.259 11.626 -5.486 1.00 10.00 C ATOM 1009 CD ARG A 68 -1.538 10.869 -5.129 1.00 10.00 C ATOM 1010 NE ARG A 68 -2.469 10.807 -6.271 1.00 10.00 N ATOM 1011 CZ ARG A 68 -3.473 9.926 -6.391 1.00 10.00 C ATOM 1012 NH1 ARG A 68 -3.651 9.003 -5.446 1.00 10.00 N ATOM 1013 NH2 ARG A 68 -4.290 9.969 -7.450 1.00 10.00 N ATOM 0 H ARG A 68 2.332 11.257 -4.750 1.00 10.00 H new ATOM 0 HA ARG A 68 0.852 9.022 -5.398 1.00 10.00 H new ATOM 0 HB2 ARG A 68 1.256 11.577 -7.008 1.00 10.00 H new ATOM 0 HB3 ARG A 68 -0.046 10.430 -7.257 1.00 10.00 H new ATOM 0 HG2 ARG A 68 0.319 11.806 -4.580 1.00 10.00 H new ATOM 0 HG3 ARG A 68 -0.520 12.601 -5.897 1.00 10.00 H new ATOM 0 HD2 ARG A 68 -1.286 9.858 -4.809 1.00 10.00 H new ATOM 0 HD3 ARG A 68 -2.027 11.357 -4.286 1.00 10.00 H new ATOM 0 HE ARG A 68 -2.340 11.483 -7.024 1.00 10.00 H new ATOM 0 HH11 ARG A 68 -3.026 8.971 -4.640 1.00 10.00 H new ATOM 0 HH12 ARG A 68 -4.412 8.329 -5.529 1.00 10.00 H new ATOM 0 HH21 ARG A 68 -4.151 10.675 -8.173 1.00 10.00 H new ATOM 0 HH22 ARG A 68 -5.051 9.296 -7.534 1.00 10.00 H new ATOM 1027 N GLU A 69 3.312 9.602 -7.540 1.00 10.00 N ATOM 1028 CA GLU A 69 4.141 9.097 -8.627 1.00 10.00 C ATOM 1029 C GLU A 69 5.020 7.961 -8.112 1.00 10.00 C ATOM 1030 O GLU A 69 5.208 6.932 -8.754 1.00 10.00 O ATOM 1031 CB GLU A 69 4.966 10.264 -9.183 1.00 10.00 C ATOM 1032 CG GLU A 69 4.259 10.921 -10.378 1.00 10.00 C ATOM 1033 CD GLU A 69 4.629 10.249 -11.695 1.00 10.00 C ATOM 1034 OE1 GLU A 69 4.054 9.170 -11.966 1.00 10.00 O ATOM 1035 OE2 GLU A 69 5.473 10.833 -12.407 1.00 10.00 O ATOM 0 H GLU A 69 3.656 10.484 -7.161 1.00 10.00 H new ATOM 0 HA GLU A 69 3.531 8.691 -9.434 1.00 10.00 H new ATOM 0 HB2 GLU A 69 5.128 11.005 -8.400 1.00 10.00 H new ATOM 0 HB3 GLU A 69 5.948 9.905 -9.490 1.00 10.00 H new ATOM 0 HG2 GLU A 69 3.180 10.870 -10.235 1.00 10.00 H new ATOM 0 HG3 GLU A 69 4.525 11.977 -10.422 1.00 10.00 H new ATOM 1042 N LEU A 70 5.541 8.121 -6.905 1.00 10.00 N ATOM 1043 CA LEU A 70 6.355 7.114 -6.271 1.00 10.00 C ATOM 1044 C LEU A 70 5.557 5.815 -6.148 1.00 10.00 C ATOM 1045 O LEU A 70 6.032 4.758 -6.557 1.00 10.00 O ATOM 1046 CB LEU A 70 6.800 7.669 -4.929 1.00 10.00 C ATOM 1047 CG LEU A 70 7.839 6.851 -4.169 1.00 10.00 C ATOM 1048 CD1 LEU A 70 8.108 5.423 -4.602 1.00 10.00 C ATOM 1049 CD2 LEU A 70 9.113 7.635 -3.893 1.00 10.00 C ATOM 0 H LEU A 70 5.406 8.960 -6.341 1.00 10.00 H new ATOM 0 HA LEU A 70 7.242 6.874 -6.857 1.00 10.00 H new ATOM 0 HB2 LEU A 70 7.203 8.669 -5.089 1.00 10.00 H new ATOM 0 HB3 LEU A 70 5.920 7.778 -4.295 1.00 10.00 H new ATOM 0 HG LEU A 70 7.317 6.679 -3.227 1.00 10.00 H new ATOM 0 HD11 LEU A 70 8.872 4.985 -3.959 1.00 10.00 H new ATOM 0 HD12 LEU A 70 7.190 4.840 -4.524 1.00 10.00 H new ATOM 0 HD13 LEU A 70 8.456 5.415 -5.635 1.00 10.00 H new ATOM 0 HD21 LEU A 70 9.817 7.005 -3.350 1.00 10.00 H new ATOM 0 HD22 LEU A 70 9.559 7.948 -4.837 1.00 10.00 H new ATOM 0 HD23 LEU A 70 8.876 8.514 -3.294 1.00 10.00 H new ATOM 1061 N SER A 71 4.328 5.871 -5.626 1.00 10.00 N ATOM 1062 CA SER A 71 3.469 4.704 -5.593 1.00 10.00 C ATOM 1063 C SER A 71 3.451 4.043 -6.972 1.00 10.00 C ATOM 1064 O SER A 71 3.655 2.841 -7.054 1.00 10.00 O ATOM 1065 CB SER A 71 2.047 5.051 -5.125 1.00 10.00 C ATOM 1066 OG SER A 71 2.049 5.966 -4.049 1.00 10.00 O ATOM 0 H SER A 71 3.915 6.713 -5.224 1.00 10.00 H new ATOM 0 HA SER A 71 3.874 4.001 -4.865 1.00 10.00 H new ATOM 0 HB2 SER A 71 1.485 5.473 -5.958 1.00 10.00 H new ATOM 0 HB3 SER A 71 1.533 4.139 -4.823 1.00 10.00 H new ATOM 0 HG SER A 71 2.431 6.818 -4.345 1.00 10.00 H new ATOM 1072 N LYS A 72 3.275 4.798 -8.062 1.00 10.00 N ATOM 1073 CA LYS A 72 3.315 4.219 -9.406 1.00 10.00 C ATOM 1074 C LYS A 72 4.592 3.393 -9.642 1.00 10.00 C ATOM 1075 O LYS A 72 4.518 2.291 -10.176 1.00 10.00 O ATOM 1076 CB LYS A 72 3.122 5.292 -10.486 1.00 10.00 C ATOM 1077 CG LYS A 72 1.751 5.976 -10.347 1.00 10.00 C ATOM 1078 CD LYS A 72 0.839 5.704 -11.555 1.00 10.00 C ATOM 1079 CE LYS A 72 0.697 6.982 -12.393 1.00 10.00 C ATOM 1080 NZ LYS A 72 -0.066 6.748 -13.635 1.00 10.00 N ATOM 0 H LYS A 72 3.105 5.803 -8.039 1.00 10.00 H new ATOM 0 HA LYS A 72 2.476 3.527 -9.482 1.00 10.00 H new ATOM 0 HB2 LYS A 72 3.913 6.037 -10.408 1.00 10.00 H new ATOM 0 HB3 LYS A 72 3.207 4.838 -11.473 1.00 10.00 H new ATOM 0 HG2 LYS A 72 1.262 5.624 -9.439 1.00 10.00 H new ATOM 0 HG3 LYS A 72 1.893 7.051 -10.236 1.00 10.00 H new ATOM 0 HD2 LYS A 72 1.256 4.902 -12.165 1.00 10.00 H new ATOM 0 HD3 LYS A 72 -0.141 5.369 -11.215 1.00 10.00 H new ATOM 0 HE2 LYS A 72 0.199 7.750 -11.801 1.00 10.00 H new ATOM 0 HE3 LYS A 72 1.687 7.364 -12.642 1.00 10.00 H new ATOM 0 HZ1 LYS A 72 -0.138 7.636 -14.171 1.00 10.00 H new ATOM 0 HZ2 LYS A 72 0.422 6.034 -14.213 1.00 10.00 H new ATOM 0 HZ3 LYS A 72 -1.020 6.408 -13.398 1.00 10.00 H new ATOM 1094 N THR A 73 5.749 3.869 -9.182 1.00 10.00 N ATOM 1095 CA THR A 73 7.009 3.122 -9.223 1.00 10.00 C ATOM 1096 C THR A 73 6.934 1.797 -8.443 1.00 10.00 C ATOM 1097 O THR A 73 7.642 0.848 -8.769 1.00 10.00 O ATOM 1098 CB THR A 73 8.175 4.043 -8.798 1.00 10.00 C ATOM 1099 OG1 THR A 73 8.590 4.791 -9.923 1.00 10.00 O ATOM 1100 CG2 THR A 73 9.389 3.325 -8.199 1.00 10.00 C ATOM 0 H THR A 73 5.840 4.795 -8.765 1.00 10.00 H new ATOM 0 HA THR A 73 7.204 2.811 -10.249 1.00 10.00 H new ATOM 0 HB THR A 73 7.785 4.673 -7.998 1.00 10.00 H new ATOM 0 HG1 THR A 73 9.329 5.382 -9.668 1.00 10.00 H new ATOM 0 HG21 THR A 73 10.151 4.058 -7.934 1.00 10.00 H new ATOM 0 HG22 THR A 73 9.085 2.779 -7.306 1.00 10.00 H new ATOM 0 HG23 THR A 73 9.796 2.627 -8.930 1.00 10.00 H new ATOM 1108 N PHE A 74 6.064 1.717 -7.435 1.00 10.00 N ATOM 1109 CA PHE A 74 5.781 0.511 -6.657 1.00 10.00 C ATOM 1110 C PHE A 74 4.541 -0.230 -7.161 1.00 10.00 C ATOM 1111 O PHE A 74 4.146 -1.227 -6.554 1.00 10.00 O ATOM 1112 CB PHE A 74 5.586 0.877 -5.179 1.00 10.00 C ATOM 1113 CG PHE A 74 6.879 0.999 -4.413 1.00 10.00 C ATOM 1114 CD1 PHE A 74 7.724 2.094 -4.637 1.00 10.00 C ATOM 1115 CD2 PHE A 74 7.299 -0.045 -3.571 1.00 10.00 C ATOM 1116 CE1 PHE A 74 8.936 2.196 -3.939 1.00 10.00 C ATOM 1117 CE2 PHE A 74 8.499 0.069 -2.852 1.00 10.00 C ATOM 1118 CZ PHE A 74 9.302 1.211 -3.007 1.00 10.00 C ATOM 0 H PHE A 74 5.517 2.521 -7.127 1.00 10.00 H new ATOM 0 HA PHE A 74 6.637 -0.154 -6.774 1.00 10.00 H new ATOM 0 HB2 PHE A 74 5.045 1.821 -5.115 1.00 10.00 H new ATOM 0 HB3 PHE A 74 4.962 0.119 -4.705 1.00 10.00 H new ATOM 0 HD1 PHE A 74 7.442 2.858 -5.346 1.00 10.00 H new ATOM 0 HD2 PHE A 74 6.697 -0.937 -3.477 1.00 10.00 H new ATOM 0 HE1 PHE A 74 9.591 3.036 -4.119 1.00 10.00 H new ATOM 0 HE2 PHE A 74 8.804 -0.720 -2.181 1.00 10.00 H new ATOM 0 HZ PHE A 74 10.196 1.331 -2.413 1.00 10.00 H new ATOM 1128 N ILE A 75 3.881 0.251 -8.217 1.00 10.00 N ATOM 1129 CA ILE A 75 2.672 -0.407 -8.688 1.00 10.00 C ATOM 1130 C ILE A 75 3.019 -1.826 -9.142 1.00 10.00 C ATOM 1131 O ILE A 75 3.992 -2.017 -9.870 1.00 10.00 O ATOM 1132 CB ILE A 75 1.988 0.427 -9.779 1.00 10.00 C ATOM 1133 CG1 ILE A 75 0.473 0.308 -9.611 1.00 10.00 C ATOM 1134 CG2 ILE A 75 2.454 0.082 -11.198 1.00 10.00 C ATOM 1135 CD1 ILE A 75 -0.278 0.987 -10.744 1.00 10.00 C ATOM 0 H ILE A 75 4.159 1.076 -8.749 1.00 10.00 H new ATOM 0 HA ILE A 75 1.947 -0.488 -7.878 1.00 10.00 H new ATOM 0 HB ILE A 75 2.284 1.468 -9.650 1.00 10.00 H new ATOM 0 HG12 ILE A 75 0.194 -0.745 -9.570 1.00 10.00 H new ATOM 0 HG13 ILE A 75 0.177 0.753 -8.661 1.00 10.00 H new ATOM 0 HG21 ILE A 75 1.928 0.711 -11.917 1.00 10.00 H new ATOM 0 HG22 ILE A 75 3.527 0.255 -11.281 1.00 10.00 H new ATOM 0 HG23 ILE A 75 2.239 -0.966 -11.407 1.00 10.00 H new ATOM 0 HD11 ILE A 75 -1.351 0.879 -10.586 1.00 10.00 H new ATOM 0 HD12 ILE A 75 -0.020 2.046 -10.769 1.00 10.00 H new ATOM 0 HD13 ILE A 75 -0.003 0.524 -11.692 1.00 10.00 H new ATOM 1147 N ILE A 76 2.237 -2.820 -8.719 1.00 10.00 N ATOM 1148 CA ILE A 76 2.430 -4.201 -9.162 1.00 10.00 C ATOM 1149 C ILE A 76 1.361 -4.629 -10.161 1.00 10.00 C ATOM 1150 O ILE A 76 1.526 -5.632 -10.851 1.00 10.00 O ATOM 1151 CB ILE A 76 2.501 -5.156 -7.964 1.00 10.00 C ATOM 1152 CG1 ILE A 76 1.417 -4.832 -6.925 1.00 10.00 C ATOM 1153 CG2 ILE A 76 3.909 -5.087 -7.362 1.00 10.00 C ATOM 1154 CD1 ILE A 76 1.231 -5.941 -5.891 1.00 10.00 C ATOM 0 H ILE A 76 1.462 -2.694 -8.068 1.00 10.00 H new ATOM 0 HA ILE A 76 3.386 -4.250 -9.683 1.00 10.00 H new ATOM 0 HB ILE A 76 2.308 -6.175 -8.298 1.00 10.00 H new ATOM 0 HG12 ILE A 76 1.677 -3.906 -6.413 1.00 10.00 H new ATOM 0 HG13 ILE A 76 0.471 -4.658 -7.437 1.00 10.00 H new ATOM 0 HG21 ILE A 76 3.973 -5.762 -6.508 1.00 10.00 H new ATOM 0 HG22 ILE A 76 4.641 -5.382 -8.114 1.00 10.00 H new ATOM 0 HG23 ILE A 76 4.115 -4.068 -7.035 1.00 10.00 H new ATOM 0 HD11 ILE A 76 0.452 -5.653 -5.185 1.00 10.00 H new ATOM 0 HD12 ILE A 76 0.941 -6.863 -6.395 1.00 10.00 H new ATOM 0 HD13 ILE A 76 2.167 -6.099 -5.355 1.00 10.00 H new ATOM 1166 N GLY A 77 0.265 -3.882 -10.252 1.00 10.00 N ATOM 1167 CA GLY A 77 -0.831 -4.221 -11.129 1.00 10.00 C ATOM 1168 C GLY A 77 -1.995 -3.331 -10.750 1.00 10.00 C ATOM 1169 O GLY A 77 -1.780 -2.176 -10.381 1.00 10.00 O ATOM 0 H GLY A 77 0.120 -3.026 -9.716 1.00 10.00 H new ATOM 0 HA2 GLY A 77 -0.552 -4.067 -12.171 1.00 10.00 H new ATOM 0 HA3 GLY A 77 -1.099 -5.272 -11.022 1.00 10.00 H new ATOM 1173 N GLU A 78 -3.212 -3.867 -10.805 1.00 10.00 N ATOM 1174 CA GLU A 78 -4.405 -3.097 -10.513 1.00 10.00 C ATOM 1175 C GLU A 78 -5.375 -3.918 -9.671 1.00 10.00 C ATOM 1176 O GLU A 78 -5.182 -5.110 -9.437 1.00 10.00 O ATOM 1177 CB GLU A 78 -4.996 -2.554 -11.824 1.00 10.00 C ATOM 1178 CG GLU A 78 -5.737 -1.228 -11.621 1.00 10.00 C ATOM 1179 CD GLU A 78 -5.968 -0.463 -12.911 1.00 10.00 C ATOM 1180 OE1 GLU A 78 -6.913 -0.865 -13.622 1.00 10.00 O ATOM 1181 OE2 GLU A 78 -5.244 0.535 -13.119 1.00 10.00 O ATOM 0 H GLU A 78 -3.392 -4.840 -11.052 1.00 10.00 H new ATOM 0 HA GLU A 78 -4.165 -2.226 -9.903 1.00 10.00 H new ATOM 0 HB2 GLU A 78 -4.195 -2.413 -12.550 1.00 10.00 H new ATOM 0 HB3 GLU A 78 -5.681 -3.290 -12.244 1.00 10.00 H new ATOM 0 HG2 GLU A 78 -6.699 -1.426 -11.148 1.00 10.00 H new ATOM 0 HG3 GLU A 78 -5.167 -0.603 -10.934 1.00 10.00 H new ATOM 1188 N LEU A 79 -6.404 -3.253 -9.165 1.00 10.00 N ATOM 1189 CA LEU A 79 -7.438 -3.898 -8.377 1.00 10.00 C ATOM 1190 C LEU A 79 -8.413 -4.603 -9.322 1.00 10.00 C ATOM 1191 O LEU A 79 -8.831 -4.015 -10.324 1.00 10.00 O ATOM 1192 CB LEU A 79 -8.146 -2.829 -7.545 1.00 10.00 C ATOM 1193 CG LEU A 79 -9.379 -3.353 -6.799 1.00 10.00 C ATOM 1194 CD1 LEU A 79 -8.969 -4.160 -5.558 1.00 10.00 C ATOM 1195 CD2 LEU A 79 -10.305 -2.178 -6.469 1.00 10.00 C ATOM 0 H LEU A 79 -6.543 -2.250 -9.291 1.00 10.00 H new ATOM 0 HA LEU A 79 -7.014 -4.644 -7.704 1.00 10.00 H new ATOM 0 HB2 LEU A 79 -7.442 -2.417 -6.822 1.00 10.00 H new ATOM 0 HB3 LEU A 79 -8.447 -2.011 -8.199 1.00 10.00 H new ATOM 0 HG LEU A 79 -9.932 -4.044 -7.435 1.00 10.00 H new ATOM 0 HD11 LEU A 79 -9.862 -4.520 -5.047 1.00 10.00 H new ATOM 0 HD12 LEU A 79 -8.357 -5.009 -5.862 1.00 10.00 H new ATOM 0 HD13 LEU A 79 -8.396 -3.524 -4.883 1.00 10.00 H new ATOM 0 HD21 LEU A 79 -11.184 -2.545 -5.938 1.00 10.00 H new ATOM 0 HD22 LEU A 79 -9.775 -1.462 -5.841 1.00 10.00 H new ATOM 0 HD23 LEU A 79 -10.617 -1.690 -7.392 1.00 10.00 H new ATOM 1207 N HIS A 80 -8.801 -5.835 -8.981 1.00 10.00 N ATOM 1208 CA HIS A 80 -9.790 -6.618 -9.717 1.00 10.00 C ATOM 1209 C HIS A 80 -11.061 -5.814 -9.988 1.00 10.00 C ATOM 1210 O HIS A 80 -11.540 -5.098 -9.109 1.00 10.00 O ATOM 1211 CB HIS A 80 -10.111 -7.898 -8.941 1.00 10.00 C ATOM 1212 CG HIS A 80 -10.503 -9.061 -9.807 1.00 10.00 C ATOM 1213 ND1 HIS A 80 -11.764 -9.579 -9.953 1.00 10.00 N ATOM 1214 CD2 HIS A 80 -9.656 -9.812 -10.578 1.00 10.00 C ATOM 1215 CE1 HIS A 80 -11.689 -10.595 -10.827 1.00 10.00 C ATOM 1216 NE2 HIS A 80 -10.424 -10.773 -11.240 1.00 10.00 N ATOM 0 H HIS A 80 -8.427 -6.324 -8.168 1.00 10.00 H new ATOM 0 HA HIS A 80 -9.366 -6.881 -10.686 1.00 10.00 H new ATOM 0 HB2 HIS A 80 -9.240 -8.178 -8.348 1.00 10.00 H new ATOM 0 HB3 HIS A 80 -10.920 -7.692 -8.241 1.00 10.00 H new ATOM 0 HD2 HIS A 80 -8.587 -9.684 -10.660 1.00 10.00 H new ATOM 0 HE1 HIS A 80 -12.531 -11.188 -11.153 1.00 10.00 H new ATOM 0 HE2 HIS A 80 -10.090 -11.471 -11.905 1.00 10.00 H new ATOM 1224 N PRO A 81 -11.648 -5.942 -11.186 1.00 10.00 N ATOM 1225 CA PRO A 81 -12.885 -5.257 -11.496 1.00 10.00 C ATOM 1226 C PRO A 81 -14.039 -5.739 -10.606 1.00 10.00 C ATOM 1227 O PRO A 81 -15.011 -5.012 -10.431 1.00 10.00 O ATOM 1228 CB PRO A 81 -13.128 -5.465 -12.991 1.00 10.00 C ATOM 1229 CG PRO A 81 -12.290 -6.691 -13.356 1.00 10.00 C ATOM 1230 CD PRO A 81 -11.187 -6.746 -12.305 1.00 10.00 C ATOM 0 HA PRO A 81 -12.820 -4.190 -11.283 1.00 10.00 H new ATOM 0 HB2 PRO A 81 -14.185 -5.631 -13.201 1.00 10.00 H new ATOM 0 HB3 PRO A 81 -12.823 -4.591 -13.567 1.00 10.00 H new ATOM 0 HG2 PRO A 81 -12.893 -7.599 -13.342 1.00 10.00 H new ATOM 0 HG3 PRO A 81 -11.874 -6.600 -14.359 1.00 10.00 H new ATOM 0 HD2 PRO A 81 -10.998 -7.773 -11.994 1.00 10.00 H new ATOM 0 HD3 PRO A 81 -10.250 -6.356 -12.704 1.00 10.00 H new ATOM 1238 N ASP A 82 -13.926 -6.937 -10.014 1.00 10.00 N ATOM 1239 CA ASP A 82 -14.972 -7.488 -9.152 1.00 10.00 C ATOM 1240 C ASP A 82 -15.058 -6.742 -7.813 1.00 10.00 C ATOM 1241 O ASP A 82 -16.107 -6.723 -7.177 1.00 10.00 O ATOM 1242 CB ASP A 82 -14.733 -8.988 -8.944 1.00 10.00 C ATOM 1243 CG ASP A 82 -15.979 -9.705 -8.446 1.00 10.00 C ATOM 1244 OD1 ASP A 82 -16.862 -9.942 -9.297 1.00 10.00 O ATOM 1245 OD2 ASP A 82 -15.990 -10.061 -7.250 1.00 10.00 O ATOM 0 H ASP A 82 -13.113 -7.544 -10.120 1.00 10.00 H new ATOM 0 HA ASP A 82 -15.934 -7.351 -9.646 1.00 10.00 H new ATOM 0 HB2 ASP A 82 -14.409 -9.436 -9.883 1.00 10.00 H new ATOM 0 HB3 ASP A 82 -13.924 -9.129 -8.228 1.00 10.00 H new ATOM 1250 N ASP A 83 -13.951 -6.117 -7.389 1.00 10.00 N ATOM 1251 CA ASP A 83 -13.868 -5.392 -6.122 1.00 10.00 C ATOM 1252 C ASP A 83 -14.441 -3.966 -6.222 1.00 10.00 C ATOM 1253 O ASP A 83 -14.603 -3.282 -5.214 1.00 10.00 O ATOM 1254 CB ASP A 83 -12.400 -5.352 -5.690 1.00 10.00 C ATOM 1255 CG ASP A 83 -12.248 -4.759 -4.296 1.00 10.00 C ATOM 1256 OD1 ASP A 83 -12.744 -5.427 -3.368 1.00 10.00 O ATOM 1257 OD2 ASP A 83 -11.601 -3.698 -4.169 1.00 10.00 O ATOM 0 H ASP A 83 -13.082 -6.103 -7.924 1.00 10.00 H new ATOM 0 HA ASP A 83 -14.474 -5.913 -5.380 1.00 10.00 H new ATOM 0 HB2 ASP A 83 -11.987 -6.361 -5.705 1.00 10.00 H new ATOM 0 HB3 ASP A 83 -11.825 -4.761 -6.403 1.00 10.00 H new ATOM 1262 N ARG A 84 -14.688 -3.495 -7.448 1.00 10.00 N ATOM 1263 CA ARG A 84 -15.132 -2.131 -7.723 1.00 10.00 C ATOM 1264 C ARG A 84 -16.534 -1.861 -7.168 1.00 10.00 C ATOM 1265 O ARG A 84 -17.293 -2.837 -6.978 1.00 10.00 O ATOM 1266 CB ARG A 84 -15.148 -1.879 -9.237 1.00 10.00 C ATOM 1267 CG ARG A 84 -13.827 -2.196 -9.947 1.00 10.00 C ATOM 1268 CD ARG A 84 -12.830 -1.037 -9.947 1.00 10.00 C ATOM 1269 NE ARG A 84 -11.475 -1.540 -10.249 1.00 10.00 N ATOM 1270 CZ ARG A 84 -10.512 -0.887 -10.923 1.00 10.00 C ATOM 1271 NH1 ARG A 84 -10.725 0.357 -11.363 1.00 10.00 N ATOM 1272 NH2 ARG A 84 -9.334 -1.475 -11.151 1.00 10.00 N ATOM 0 H ARG A 84 -14.582 -4.062 -8.289 1.00 10.00 H new ATOM 0 HA ARG A 84 -14.429 -1.460 -7.230 1.00 10.00 H new ATOM 0 HB2 ARG A 84 -15.940 -2.480 -9.684 1.00 10.00 H new ATOM 0 HB3 ARG A 84 -15.401 -0.834 -9.416 1.00 10.00 H new ATOM 0 HG2 ARG A 84 -13.366 -3.059 -9.467 1.00 10.00 H new ATOM 0 HG3 ARG A 84 -14.039 -2.480 -10.978 1.00 10.00 H new ATOM 0 HD2 ARG A 84 -13.124 -0.293 -10.687 1.00 10.00 H new ATOM 0 HD3 ARG A 84 -12.835 -0.541 -8.976 1.00 10.00 H new ATOM 0 HE ARG A 84 -11.247 -2.476 -9.913 1.00 10.00 H new ATOM 0 HH11 ARG A 84 -11.620 0.814 -11.188 1.00 10.00 H new ATOM 0 HH12 ARG A 84 -9.992 0.850 -11.874 1.00 10.00 H new ATOM 0 HH21 ARG A 84 -9.163 -2.422 -10.813 1.00 10.00 H new ATOM 0 HH22 ARG A 84 -8.606 -0.977 -11.663 1.00 10.00 H new