USER MOD reduce.3.24.130724 H: found=0, std=0, add=604, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 600 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 69 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 74 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 20 HIS : no HD1:sc= -2.65! C(o=-2.6!,f=-7!) USER MOD Set 2.2: A 61 LYS NZ :NH3+ -140:sc= 0.0397 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 HIS : no HD1:sc= -0.58 X(o=-0.58,f=-0.87) USER MOD Single : A 7 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= -0.0141 X(o=-0.014,f=0) USER MOD Single : A 10 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 HIS : no HD1:sc= -0.217 X(o=-0.22,f=0.027) USER MOD Single : A 24 CYS SG : rot 54:sc= 0.439 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 180:sc= -0.0346 USER MOD Single : A 35 SER OG : rot 139:sc= -2.78! USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= -1.94 K(o=-1.9,f=-8.6!) USER MOD Single : A 49 LYS NZ :NH3+ 154:sc= -0.615 (180deg=-1.6!) USER MOD Single : A 56 THR OG1 : rot 25:sc= 0.154 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 CYS SG : rot 130:sc= -4.98! USER MOD Single : A 66 GLN : amide:sc= -0.435 X(o=-0.44,f=-0.36) USER MOD Single : A 67 THR OG1 : rot 180:sc= -0.0309 USER MOD Single : A 73 HIS : no HD1:sc= -0.722 K(o=-0.72,f=-1.7!) USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -1.557 1.404 23.985 1.00 0.00 N ATOM 2 CA GLY A 1 -0.947 1.063 22.671 1.00 0.00 C ATOM 3 C GLY A 1 -0.759 -0.429 22.487 1.00 0.00 C ATOM 4 O GLY A 1 0.168 -1.019 23.045 1.00 0.00 O ATOM 0 H1 GLY A 1 -1.664 2.436 24.061 1.00 0.00 H new ATOM 0 H2 GLY A 1 -2.491 0.952 24.062 1.00 0.00 H new ATOM 0 H3 GLY A 1 -0.943 1.062 24.752 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -1.579 1.448 21.870 1.00 0.00 H new ATOM 0 HA3 GLY A 1 0.019 1.561 22.582 1.00 0.00 H new ATOM 10 N SER A 2 -1.638 -1.043 21.703 1.00 0.00 N ATOM 11 CA SER A 2 -1.565 -2.477 21.447 1.00 0.00 C ATOM 12 C SER A 2 -2.226 -2.827 20.118 1.00 0.00 C ATOM 13 O SER A 2 -3.262 -2.265 19.762 1.00 0.00 O ATOM 14 CB SER A 2 -2.235 -3.256 22.579 1.00 0.00 C ATOM 15 OG SER A 2 -3.417 -2.609 23.015 1.00 0.00 O ATOM 0 H SER A 2 -2.410 -0.570 21.233 1.00 0.00 H new ATOM 0 HA SER A 2 -0.512 -2.756 21.396 1.00 0.00 H new ATOM 0 HB2 SER A 2 -2.473 -4.264 22.239 1.00 0.00 H new ATOM 0 HB3 SER A 2 -1.543 -3.356 23.415 1.00 0.00 H new ATOM 0 HG SER A 2 -3.827 -3.129 23.738 1.00 0.00 H new ATOM 21 N MET A 3 -1.621 -3.759 19.388 1.00 0.00 N ATOM 22 CA MET A 3 -2.151 -4.182 18.096 1.00 0.00 C ATOM 23 C MET A 3 -3.134 -5.335 18.263 1.00 0.00 C ATOM 24 O MET A 3 -4.106 -5.449 17.515 1.00 0.00 O ATOM 25 CB MET A 3 -1.009 -4.597 17.167 1.00 0.00 C ATOM 26 CG MET A 3 -1.239 -4.217 15.712 1.00 0.00 C ATOM 27 SD MET A 3 0.200 -3.429 14.962 1.00 0.00 S ATOM 28 CE MET A 3 -0.585 -2.402 13.723 1.00 0.00 C ATOM 0 H MET A 3 -0.764 -4.235 19.669 1.00 0.00 H new ATOM 0 HA MET A 3 -2.682 -3.339 17.653 1.00 0.00 H new ATOM 0 HB2 MET A 3 -0.084 -4.135 17.513 1.00 0.00 H new ATOM 0 HB3 MET A 3 -0.871 -5.676 17.235 1.00 0.00 H new ATOM 0 HG2 MET A 3 -1.496 -5.111 15.144 1.00 0.00 H new ATOM 0 HG3 MET A 3 -2.092 -3.542 15.648 1.00 0.00 H new ATOM 0 HE1 MET A 3 0.177 -1.849 13.173 1.00 0.00 H new ATOM 0 HE2 MET A 3 -1.147 -3.031 13.032 1.00 0.00 H new ATOM 0 HE3 MET A 3 -1.263 -1.700 14.209 1.00 0.00 H new ATOM 38 N ILE A 4 -2.876 -6.188 19.247 1.00 0.00 N ATOM 39 CA ILE A 4 -3.737 -7.334 19.514 1.00 0.00 C ATOM 40 C ILE A 4 -4.981 -6.916 20.289 1.00 0.00 C ATOM 41 O ILE A 4 -4.889 -6.290 21.347 1.00 0.00 O ATOM 42 CB ILE A 4 -2.990 -8.429 20.303 1.00 0.00 C ATOM 43 CG1 ILE A 4 -1.680 -8.791 19.600 1.00 0.00 C ATOM 44 CG2 ILE A 4 -3.869 -9.662 20.469 1.00 0.00 C ATOM 45 CD1 ILE A 4 -0.685 -9.493 20.499 1.00 0.00 C ATOM 0 H ILE A 4 -2.076 -6.108 19.874 1.00 0.00 H new ATOM 0 HA ILE A 4 -4.036 -7.739 18.547 1.00 0.00 H new ATOM 0 HB ILE A 4 -2.754 -8.042 21.294 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -1.900 -9.431 18.746 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -1.224 -7.882 19.208 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -3.325 -10.424 21.028 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -4.776 -9.392 21.011 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -4.136 -10.053 19.487 1.00 0.00 H new ATOM 0 HD11 ILE A 4 0.219 -9.719 19.934 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -0.435 -8.846 21.340 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -1.122 -10.420 20.871 1.00 0.00 H new ATOM 57 N HIS A 5 -6.146 -7.265 19.754 1.00 0.00 N ATOM 58 CA HIS A 5 -7.413 -6.928 20.391 1.00 0.00 C ATOM 59 C HIS A 5 -8.565 -7.678 19.727 1.00 0.00 C ATOM 60 O HIS A 5 -8.345 -8.576 18.914 1.00 0.00 O ATOM 61 CB HIS A 5 -7.655 -5.419 20.322 1.00 0.00 C ATOM 62 CG HIS A 5 -7.422 -4.717 21.623 1.00 0.00 C ATOM 63 ND1 HIS A 5 -7.449 -5.360 22.842 1.00 0.00 N ATOM 64 CD2 HIS A 5 -7.154 -3.417 21.893 1.00 0.00 C ATOM 65 CE1 HIS A 5 -7.210 -4.489 23.806 1.00 0.00 C ATOM 66 NE2 HIS A 5 -7.027 -3.302 23.256 1.00 0.00 N ATOM 0 H HIS A 5 -6.239 -7.782 18.880 1.00 0.00 H new ATOM 0 HA HIS A 5 -7.363 -7.229 21.437 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -7.001 -4.988 19.564 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -8.680 -5.238 19.999 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -7.058 -2.619 21.171 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -7.171 -4.710 24.863 1.00 0.00 H new ATOM 0 HE2 HIS A 5 -6.824 -2.440 23.762 1.00 0.00 H new ATOM 74 N ARG A 6 -9.792 -7.304 20.077 1.00 0.00 N ATOM 75 CA ARG A 6 -10.974 -7.946 19.513 1.00 0.00 C ATOM 76 C ARG A 6 -11.311 -7.358 18.147 1.00 0.00 C ATOM 77 O ARG A 6 -11.837 -8.051 17.277 1.00 0.00 O ATOM 78 CB ARG A 6 -12.166 -7.794 20.461 1.00 0.00 C ATOM 79 CG ARG A 6 -12.401 -9.012 21.339 1.00 0.00 C ATOM 80 CD ARG A 6 -13.396 -8.717 22.449 1.00 0.00 C ATOM 81 NE ARG A 6 -14.643 -8.155 21.933 1.00 0.00 N ATOM 82 CZ ARG A 6 -15.609 -7.659 22.704 1.00 0.00 C ATOM 83 NH1 ARG A 6 -15.479 -7.661 24.025 1.00 0.00 N ATOM 84 NH2 ARG A 6 -16.709 -7.162 22.153 1.00 0.00 N ATOM 0 H ARG A 6 -9.993 -6.562 20.747 1.00 0.00 H new ATOM 0 HA ARG A 6 -10.757 -9.007 19.387 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -12.006 -6.923 21.097 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -13.064 -7.600 19.875 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -12.770 -9.836 20.728 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -11.455 -9.336 21.774 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -13.611 -9.635 22.996 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -12.951 -8.020 23.159 1.00 0.00 H new ATOM 0 HE ARG A 6 -14.781 -8.142 20.923 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -14.636 -8.044 24.454 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -16.222 -7.280 24.611 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -16.815 -7.160 21.139 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -17.449 -6.782 22.744 1.00 0.00 H new ATOM 98 N MET A 7 -11.006 -6.077 17.965 1.00 0.00 N ATOM 99 CA MET A 7 -11.277 -5.401 16.701 1.00 0.00 C ATOM 100 C MET A 7 -10.255 -5.802 15.641 1.00 0.00 C ATOM 101 O MET A 7 -9.305 -6.530 15.926 1.00 0.00 O ATOM 102 CB MET A 7 -11.260 -3.884 16.894 1.00 0.00 C ATOM 103 CG MET A 7 -12.174 -3.138 15.932 1.00 0.00 C ATOM 104 SD MET A 7 -11.267 -2.102 14.768 1.00 0.00 S ATOM 105 CE MET A 7 -12.554 -1.726 13.579 1.00 0.00 C ATOM 0 H MET A 7 -10.572 -5.487 18.675 1.00 0.00 H new ATOM 0 HA MET A 7 -12.267 -5.705 16.361 1.00 0.00 H new ATOM 0 HB2 MET A 7 -11.557 -3.653 17.917 1.00 0.00 H new ATOM 0 HB3 MET A 7 -10.240 -3.521 16.768 1.00 0.00 H new ATOM 0 HG2 MET A 7 -12.776 -3.858 15.378 1.00 0.00 H new ATOM 0 HG3 MET A 7 -12.865 -2.517 16.502 1.00 0.00 H new ATOM 0 HE1 MET A 7 -12.148 -1.090 12.792 1.00 0.00 H new ATOM 0 HE2 MET A 7 -12.926 -2.652 13.141 1.00 0.00 H new ATOM 0 HE3 MET A 7 -13.372 -1.207 14.080 1.00 0.00 H new ATOM 115 N SER A 8 -10.457 -5.321 14.419 1.00 0.00 N ATOM 116 CA SER A 8 -9.553 -5.630 13.317 1.00 0.00 C ATOM 117 C SER A 8 -9.313 -4.402 12.445 1.00 0.00 C ATOM 118 O SER A 8 -10.255 -3.810 11.917 1.00 0.00 O ATOM 119 CB SER A 8 -10.124 -6.767 12.470 1.00 0.00 C ATOM 120 OG SER A 8 -9.796 -8.031 13.022 1.00 0.00 O ATOM 0 H SER A 8 -11.238 -4.716 14.167 1.00 0.00 H new ATOM 0 HA SER A 8 -8.598 -5.942 13.740 1.00 0.00 H new ATOM 0 HB2 SER A 8 -11.207 -6.666 12.404 1.00 0.00 H new ATOM 0 HB3 SER A 8 -9.735 -6.699 11.454 1.00 0.00 H new ATOM 0 HG SER A 8 -10.175 -8.741 12.462 1.00 0.00 H new ATOM 126 N ASN A 9 -8.047 -4.028 12.294 1.00 0.00 N ATOM 127 CA ASN A 9 -7.681 -2.874 11.481 1.00 0.00 C ATOM 128 C ASN A 9 -7.880 -3.178 9.999 1.00 0.00 C ATOM 129 O ASN A 9 -6.944 -3.579 9.309 1.00 0.00 O ATOM 130 CB ASN A 9 -6.223 -2.482 11.743 1.00 0.00 C ATOM 131 CG ASN A 9 -5.878 -1.118 11.177 1.00 0.00 C ATOM 132 OD1 ASN A 9 -5.050 -1.000 10.274 1.00 0.00 O ATOM 133 ND2 ASN A 9 -6.511 -0.078 11.708 1.00 0.00 N ATOM 0 H ASN A 9 -7.256 -4.508 12.724 1.00 0.00 H new ATOM 0 HA ASN A 9 -8.328 -2.041 11.756 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -6.037 -2.484 12.817 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -5.564 -3.231 11.304 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -6.318 0.864 11.368 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -7.190 -0.222 12.455 1.00 0.00 H new ATOM 140 N MET A 10 -9.107 -2.997 9.519 1.00 0.00 N ATOM 141 CA MET A 10 -9.421 -3.268 8.120 1.00 0.00 C ATOM 142 C MET A 10 -9.294 -2.014 7.260 1.00 0.00 C ATOM 143 O MET A 10 -10.296 -1.407 6.881 1.00 0.00 O ATOM 144 CB MET A 10 -10.836 -3.837 7.992 1.00 0.00 C ATOM 145 CG MET A 10 -11.170 -4.891 9.036 1.00 0.00 C ATOM 146 SD MET A 10 -12.281 -6.162 8.404 1.00 0.00 S ATOM 147 CE MET A 10 -11.381 -7.648 8.841 1.00 0.00 C ATOM 0 H MET A 10 -9.896 -2.666 10.074 1.00 0.00 H new ATOM 0 HA MET A 10 -8.699 -4.001 7.761 1.00 0.00 H new ATOM 0 HB2 MET A 10 -11.554 -3.021 8.070 1.00 0.00 H new ATOM 0 HB3 MET A 10 -10.954 -4.272 6.999 1.00 0.00 H new ATOM 0 HG2 MET A 10 -10.249 -5.359 9.383 1.00 0.00 H new ATOM 0 HG3 MET A 10 -11.628 -4.409 9.900 1.00 0.00 H new ATOM 0 HE1 MET A 10 -11.943 -8.523 8.514 1.00 0.00 H new ATOM 0 HE2 MET A 10 -10.406 -7.640 8.353 1.00 0.00 H new ATOM 0 HE3 MET A 10 -11.245 -7.687 9.922 1.00 0.00 H new ATOM 157 N ALA A 11 -8.062 -1.638 6.937 1.00 0.00 N ATOM 158 CA ALA A 11 -7.823 -0.468 6.104 1.00 0.00 C ATOM 159 C ALA A 11 -8.029 -0.814 4.636 1.00 0.00 C ATOM 160 O ALA A 11 -7.483 -1.800 4.141 1.00 0.00 O ATOM 161 CB ALA A 11 -6.421 0.074 6.330 1.00 0.00 C ATOM 0 H ALA A 11 -7.217 -2.124 7.238 1.00 0.00 H new ATOM 0 HA ALA A 11 -8.538 0.306 6.384 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -6.263 0.948 5.698 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -6.304 0.357 7.376 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -5.689 -0.693 6.078 1.00 0.00 H new ATOM 167 N THR A 12 -8.821 -0.006 3.944 1.00 0.00 N ATOM 168 CA THR A 12 -9.096 -0.242 2.533 1.00 0.00 C ATOM 169 C THR A 12 -8.959 1.045 1.730 1.00 0.00 C ATOM 170 O THR A 12 -9.482 2.091 2.114 1.00 0.00 O ATOM 171 CB THR A 12 -10.500 -0.827 2.353 1.00 0.00 C ATOM 172 OG1 THR A 12 -11.236 -0.753 3.561 1.00 0.00 O ATOM 173 CG2 THR A 12 -10.489 -2.273 1.908 1.00 0.00 C ATOM 0 H THR A 12 -9.283 0.815 4.335 1.00 0.00 H new ATOM 0 HA THR A 12 -8.364 -0.959 2.161 1.00 0.00 H new ATOM 0 HB THR A 12 -10.966 -0.225 1.573 1.00 0.00 H new ATOM 0 HG1 THR A 12 -12.130 -1.130 3.423 1.00 0.00 H new ATOM 0 HG21 THR A 12 -11.514 -2.628 1.799 1.00 0.00 H new ATOM 0 HG22 THR A 12 -9.973 -2.355 0.952 1.00 0.00 H new ATOM 0 HG23 THR A 12 -9.973 -2.879 2.653 1.00 0.00 H new ATOM 181 N PHE A 13 -8.255 0.958 0.609 1.00 0.00 N ATOM 182 CA PHE A 13 -8.052 2.112 -0.254 1.00 0.00 C ATOM 183 C PHE A 13 -9.013 2.085 -1.435 1.00 0.00 C ATOM 184 O PHE A 13 -8.771 1.398 -2.425 1.00 0.00 O ATOM 185 CB PHE A 13 -6.615 2.143 -0.771 1.00 0.00 C ATOM 186 CG PHE A 13 -6.299 3.363 -1.589 1.00 0.00 C ATOM 187 CD1 PHE A 13 -6.786 3.503 -2.880 1.00 0.00 C ATOM 188 CD2 PHE A 13 -5.509 4.369 -1.066 1.00 0.00 C ATOM 189 CE1 PHE A 13 -6.490 4.626 -3.628 1.00 0.00 C ATOM 190 CE2 PHE A 13 -5.208 5.493 -1.808 1.00 0.00 C ATOM 191 CZ PHE A 13 -5.700 5.623 -3.091 1.00 0.00 C ATOM 0 H PHE A 13 -7.815 0.100 0.277 1.00 0.00 H new ATOM 0 HA PHE A 13 -8.245 3.008 0.336 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -5.931 2.096 0.077 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -6.435 1.254 -1.375 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -7.403 2.726 -3.305 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -5.122 4.274 -0.062 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -6.876 4.724 -4.632 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -4.588 6.270 -1.385 1.00 0.00 H new ATOM 0 HZ PHE A 13 -5.468 6.502 -3.673 1.00 0.00 H new ATOM 201 N SER A 14 -10.106 2.827 -1.324 1.00 0.00 N ATOM 202 CA SER A 14 -11.095 2.878 -2.390 1.00 0.00 C ATOM 203 C SER A 14 -10.616 3.772 -3.530 1.00 0.00 C ATOM 204 O SER A 14 -10.732 4.996 -3.459 1.00 0.00 O ATOM 205 CB SER A 14 -12.431 3.390 -1.846 1.00 0.00 C ATOM 206 OG SER A 14 -13.474 2.463 -2.095 1.00 0.00 O ATOM 0 H SER A 14 -10.329 3.400 -0.510 1.00 0.00 H new ATOM 0 HA SER A 14 -11.233 1.869 -2.779 1.00 0.00 H new ATOM 0 HB2 SER A 14 -12.346 3.567 -0.774 1.00 0.00 H new ATOM 0 HB3 SER A 14 -12.673 4.347 -2.309 1.00 0.00 H new ATOM 0 HG SER A 14 -14.316 2.814 -1.736 1.00 0.00 H new ATOM 212 N LEU A 15 -10.080 3.156 -4.581 1.00 0.00 N ATOM 213 CA LEU A 15 -9.589 3.904 -5.735 1.00 0.00 C ATOM 214 C LEU A 15 -10.690 4.792 -6.305 1.00 0.00 C ATOM 215 O LEU A 15 -10.427 5.886 -6.804 1.00 0.00 O ATOM 216 CB LEU A 15 -9.085 2.948 -6.820 1.00 0.00 C ATOM 217 CG LEU A 15 -7.660 2.432 -6.629 1.00 0.00 C ATOM 218 CD1 LEU A 15 -7.416 1.211 -7.504 1.00 0.00 C ATOM 219 CD2 LEU A 15 -6.645 3.527 -6.936 1.00 0.00 C ATOM 0 H LEU A 15 -9.975 2.144 -4.657 1.00 0.00 H new ATOM 0 HA LEU A 15 -8.762 4.532 -5.404 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -9.759 2.093 -6.869 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -9.143 3.455 -7.783 1.00 0.00 H new ATOM 0 HG LEU A 15 -7.537 2.138 -5.587 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -6.396 0.855 -7.356 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -8.118 0.423 -7.232 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -7.559 1.479 -8.551 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -5.637 3.139 -6.794 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -6.765 3.855 -7.968 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -6.807 4.371 -6.266 1.00 0.00 H new ATOM 231 N GLY A 16 -11.925 4.306 -6.231 1.00 0.00 N ATOM 232 CA GLY A 16 -13.051 5.058 -6.746 1.00 0.00 C ATOM 233 C GLY A 16 -13.230 4.862 -8.236 1.00 0.00 C ATOM 234 O GLY A 16 -13.488 5.815 -8.970 1.00 0.00 O ATOM 0 H GLY A 16 -12.165 3.403 -5.822 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -13.960 4.751 -6.228 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -12.907 6.117 -6.534 1.00 0.00 H new ATOM 238 N LYS A 17 -13.088 3.619 -8.685 1.00 0.00 N ATOM 239 CA LYS A 17 -13.230 3.297 -10.099 1.00 0.00 C ATOM 240 C LYS A 17 -12.186 4.038 -10.926 1.00 0.00 C ATOM 241 O LYS A 17 -12.471 4.519 -12.022 1.00 0.00 O ATOM 242 CB LYS A 17 -14.635 3.652 -10.585 1.00 0.00 C ATOM 243 CG LYS A 17 -15.653 2.546 -10.354 1.00 0.00 C ATOM 244 CD LYS A 17 -16.475 2.273 -11.603 1.00 0.00 C ATOM 245 CE LYS A 17 -17.442 3.409 -11.892 1.00 0.00 C ATOM 246 NZ LYS A 17 -17.727 3.539 -13.346 1.00 0.00 N ATOM 0 H LYS A 17 -12.875 2.819 -8.089 1.00 0.00 H new ATOM 0 HA LYS A 17 -13.074 2.226 -10.224 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -14.970 4.556 -10.076 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -14.595 3.882 -11.650 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -15.138 1.635 -10.050 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -16.316 2.826 -9.535 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -15.809 2.135 -12.455 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -17.031 1.344 -11.478 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -18.374 3.238 -11.353 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -17.025 4.344 -11.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -18.390 4.325 -13.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -16.842 3.727 -13.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -18.149 2.656 -13.697 1.00 0.00 H new ATOM 260 N HIS A 18 -10.975 4.125 -10.386 1.00 0.00 N ATOM 261 CA HIS A 18 -9.877 4.807 -11.058 1.00 0.00 C ATOM 262 C HIS A 18 -9.020 3.817 -11.843 1.00 0.00 C ATOM 263 O HIS A 18 -9.128 2.605 -11.653 1.00 0.00 O ATOM 264 CB HIS A 18 -9.021 5.548 -10.031 1.00 0.00 C ATOM 265 CG HIS A 18 -9.475 6.953 -9.781 1.00 0.00 C ATOM 266 ND1 HIS A 18 -8.608 8.021 -9.675 1.00 0.00 N ATOM 267 CD2 HIS A 18 -10.718 7.466 -9.612 1.00 0.00 C ATOM 268 CE1 HIS A 18 -9.295 9.127 -9.452 1.00 0.00 C ATOM 269 NE2 HIS A 18 -10.578 8.818 -9.410 1.00 0.00 N ATOM 0 H HIS A 18 -10.729 3.729 -9.479 1.00 0.00 H new ATOM 0 HA HIS A 18 -10.295 5.526 -11.762 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -9.036 4.997 -9.091 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -7.987 5.564 -10.375 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -11.646 6.915 -9.632 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -8.878 10.115 -9.326 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -11.341 9.476 -9.253 1.00 0.00 H new ATOM 277 N PRO A 19 -8.156 4.320 -12.743 1.00 0.00 N ATOM 278 CA PRO A 19 -7.282 3.472 -13.562 1.00 0.00 C ATOM 279 C PRO A 19 -6.390 2.564 -12.721 1.00 0.00 C ATOM 280 O PRO A 19 -6.499 1.341 -12.788 1.00 0.00 O ATOM 281 CB PRO A 19 -6.429 4.476 -14.351 1.00 0.00 C ATOM 282 CG PRO A 19 -6.588 5.777 -13.640 1.00 0.00 C ATOM 283 CD PRO A 19 -7.961 5.749 -13.036 1.00 0.00 C ATOM 0 HA PRO A 19 -7.860 2.797 -14.194 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -5.384 4.168 -14.377 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -6.766 4.550 -15.385 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -5.825 5.898 -12.871 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -6.481 6.615 -14.329 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -8.019 6.359 -12.134 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -8.715 6.127 -13.726 1.00 0.00 H new ATOM 291 N HIS A 20 -5.505 3.174 -11.935 1.00 0.00 N ATOM 292 CA HIS A 20 -4.583 2.429 -11.078 1.00 0.00 C ATOM 293 C HIS A 20 -3.667 3.392 -10.324 1.00 0.00 C ATOM 294 O HIS A 20 -3.843 4.608 -10.403 1.00 0.00 O ATOM 295 CB HIS A 20 -3.754 1.445 -11.911 1.00 0.00 C ATOM 296 CG HIS A 20 -2.624 2.093 -12.634 1.00 0.00 C ATOM 297 ND1 HIS A 20 -1.516 2.583 -11.987 1.00 0.00 N ATOM 298 CD2 HIS A 20 -2.439 2.355 -13.948 1.00 0.00 C ATOM 299 CE1 HIS A 20 -0.698 3.121 -12.863 1.00 0.00 C ATOM 300 NE2 HIS A 20 -1.230 2.997 -14.065 1.00 0.00 N ATOM 0 H HIS A 20 -5.406 4.187 -11.874 1.00 0.00 H new ATOM 0 HA HIS A 20 -5.165 1.861 -10.352 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -3.360 0.668 -11.257 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -4.405 0.953 -12.634 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -3.114 2.106 -14.753 1.00 0.00 H new ATOM 0 HE1 HIS A 20 0.250 3.586 -12.638 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -0.812 3.324 -14.936 1.00 0.00 H new ATOM 308 N VAL A 21 -2.692 2.855 -9.596 1.00 0.00 N ATOM 309 CA VAL A 21 -1.769 3.706 -8.842 1.00 0.00 C ATOM 310 C VAL A 21 -0.384 3.094 -8.688 1.00 0.00 C ATOM 311 O VAL A 21 -0.175 1.908 -8.938 1.00 0.00 O ATOM 312 CB VAL A 21 -2.295 3.994 -7.432 1.00 0.00 C ATOM 313 CG1 VAL A 21 -3.529 4.882 -7.483 1.00 0.00 C ATOM 314 CG2 VAL A 21 -2.581 2.690 -6.708 1.00 0.00 C ATOM 0 H VAL A 21 -2.520 1.853 -9.511 1.00 0.00 H new ATOM 0 HA VAL A 21 -1.696 4.623 -9.426 1.00 0.00 H new ATOM 0 HB VAL A 21 -1.529 4.534 -6.875 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -3.883 5.072 -6.470 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -3.277 5.828 -7.962 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.313 4.384 -8.054 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -2.954 2.904 -5.707 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.330 2.123 -7.261 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -1.664 2.105 -6.636 1.00 0.00 H new ATOM 324 N GLU A 22 0.553 3.934 -8.253 1.00 0.00 N ATOM 325 CA GLU A 22 1.927 3.520 -8.031 1.00 0.00 C ATOM 326 C GLU A 22 2.194 3.352 -6.535 1.00 0.00 C ATOM 327 O GLU A 22 1.536 3.980 -5.705 1.00 0.00 O ATOM 328 CB GLU A 22 2.893 4.548 -8.623 1.00 0.00 C ATOM 329 CG GLU A 22 2.775 5.924 -7.989 1.00 0.00 C ATOM 330 CD GLU A 22 2.628 7.031 -9.014 1.00 0.00 C ATOM 331 OE1 GLU A 22 1.825 6.866 -9.956 1.00 0.00 O ATOM 332 OE2 GLU A 22 3.315 8.065 -8.873 1.00 0.00 O ATOM 0 H GLU A 22 0.377 4.917 -8.046 1.00 0.00 H new ATOM 0 HA GLU A 22 2.085 2.562 -8.527 1.00 0.00 H new ATOM 0 HB2 GLU A 22 3.914 4.187 -8.502 1.00 0.00 H new ATOM 0 HB3 GLU A 22 2.710 4.633 -9.694 1.00 0.00 H new ATOM 0 HG2 GLU A 22 1.915 5.938 -7.319 1.00 0.00 H new ATOM 0 HG3 GLU A 22 3.658 6.115 -7.378 1.00 0.00 H new ATOM 339 N LEU A 23 3.155 2.494 -6.198 1.00 0.00 N ATOM 340 CA LEU A 23 3.508 2.229 -4.803 1.00 0.00 C ATOM 341 C LEU A 23 3.537 3.506 -3.965 1.00 0.00 C ATOM 342 O LEU A 23 3.013 3.539 -2.851 1.00 0.00 O ATOM 343 CB LEU A 23 4.871 1.536 -4.729 1.00 0.00 C ATOM 344 CG LEU A 23 4.944 0.175 -5.421 1.00 0.00 C ATOM 345 CD1 LEU A 23 6.322 -0.444 -5.236 1.00 0.00 C ATOM 346 CD2 LEU A 23 3.863 -0.753 -4.888 1.00 0.00 C ATOM 0 H LEU A 23 3.706 1.967 -6.876 1.00 0.00 H new ATOM 0 HA LEU A 23 2.737 1.578 -4.392 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.620 2.192 -5.172 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.140 1.408 -3.680 1.00 0.00 H new ATOM 0 HG LEU A 23 4.774 0.321 -6.488 1.00 0.00 H new ATOM 0 HD11 LEU A 23 6.356 -1.412 -5.735 1.00 0.00 H new ATOM 0 HD12 LEU A 23 7.077 0.213 -5.668 1.00 0.00 H new ATOM 0 HD13 LEU A 23 6.521 -0.577 -4.173 1.00 0.00 H new ATOM 0 HD21 LEU A 23 3.930 -1.717 -5.392 1.00 0.00 H new ATOM 0 HD22 LEU A 23 4.000 -0.894 -3.816 1.00 0.00 H new ATOM 0 HD23 LEU A 23 2.883 -0.314 -5.074 1.00 0.00 H new ATOM 358 N CYS A 24 4.159 4.553 -4.498 1.00 0.00 N ATOM 359 CA CYS A 24 4.263 5.824 -3.788 1.00 0.00 C ATOM 360 C CYS A 24 2.893 6.474 -3.590 1.00 0.00 C ATOM 361 O CYS A 24 2.621 7.061 -2.543 1.00 0.00 O ATOM 362 CB CYS A 24 5.182 6.779 -4.552 1.00 0.00 C ATOM 363 SG CYS A 24 6.043 7.973 -3.504 1.00 0.00 S ATOM 0 H CYS A 24 4.598 4.547 -5.418 1.00 0.00 H new ATOM 0 HA CYS A 24 4.684 5.619 -2.804 1.00 0.00 H new ATOM 0 HB2 CYS A 24 5.921 6.194 -5.100 1.00 0.00 H new ATOM 0 HB3 CYS A 24 4.592 7.320 -5.291 1.00 0.00 H new ATOM 0 HG CYS A 24 6.684 7.343 -2.565 1.00 0.00 H new ATOM 369 N ASP A 25 2.039 6.376 -4.604 1.00 0.00 N ATOM 370 CA ASP A 25 0.706 6.969 -4.539 1.00 0.00 C ATOM 371 C ASP A 25 -0.129 6.353 -3.419 1.00 0.00 C ATOM 372 O ASP A 25 -0.540 7.043 -2.488 1.00 0.00 O ATOM 373 CB ASP A 25 -0.020 6.799 -5.874 1.00 0.00 C ATOM 374 CG ASP A 25 0.418 7.821 -6.905 1.00 0.00 C ATOM 375 OD1 ASP A 25 1.536 8.362 -6.768 1.00 0.00 O ATOM 376 OD2 ASP A 25 -0.357 8.080 -7.850 1.00 0.00 O ATOM 0 H ASP A 25 2.245 5.893 -5.479 1.00 0.00 H new ATOM 0 HA ASP A 25 0.832 8.031 -4.327 1.00 0.00 H new ATOM 0 HB2 ASP A 25 0.164 5.796 -6.259 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -1.095 6.886 -5.714 1.00 0.00 H new ATOM 381 N LEU A 26 -0.385 5.053 -3.524 1.00 0.00 N ATOM 382 CA LEU A 26 -1.184 4.341 -2.527 1.00 0.00 C ATOM 383 C LEU A 26 -0.634 4.548 -1.119 1.00 0.00 C ATOM 384 O LEU A 26 -1.391 4.750 -0.170 1.00 0.00 O ATOM 385 CB LEU A 26 -1.221 2.848 -2.854 1.00 0.00 C ATOM 386 CG LEU A 26 -2.438 2.096 -2.311 1.00 0.00 C ATOM 387 CD1 LEU A 26 -3.571 2.106 -3.325 1.00 0.00 C ATOM 388 CD2 LEU A 26 -2.060 0.671 -1.944 1.00 0.00 C ATOM 0 H LEU A 26 -0.051 4.468 -4.290 1.00 0.00 H new ATOM 0 HA LEU A 26 -2.195 4.747 -2.558 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.192 2.728 -3.937 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -0.319 2.382 -2.458 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.783 2.604 -1.410 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -4.427 1.566 -2.920 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -3.859 3.135 -3.538 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.240 1.624 -4.245 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.937 0.150 -1.559 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.689 0.154 -2.829 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.283 0.686 -1.180 1.00 0.00 H new ATOM 400 N LEU A 27 0.686 4.497 -0.994 1.00 0.00 N ATOM 401 CA LEU A 27 1.343 4.674 0.296 1.00 0.00 C ATOM 402 C LEU A 27 1.165 6.094 0.820 1.00 0.00 C ATOM 403 O LEU A 27 0.532 6.309 1.854 1.00 0.00 O ATOM 404 CB LEU A 27 2.832 4.357 0.169 1.00 0.00 C ATOM 405 CG LEU A 27 3.216 2.905 0.445 1.00 0.00 C ATOM 406 CD1 LEU A 27 2.374 1.951 -0.391 1.00 0.00 C ATOM 407 CD2 LEU A 27 4.697 2.693 0.172 1.00 0.00 C ATOM 0 H LEU A 27 1.325 4.334 -1.772 1.00 0.00 H new ATOM 0 HA LEU A 27 0.880 3.988 1.005 1.00 0.00 H new ATOM 0 HB2 LEU A 27 3.157 4.616 -0.839 1.00 0.00 H new ATOM 0 HB3 LEU A 27 3.383 4.998 0.857 1.00 0.00 H new ATOM 0 HG LEU A 27 3.020 2.691 1.496 1.00 0.00 H new ATOM 0 HD11 LEU A 27 2.667 0.923 -0.176 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.320 2.087 -0.147 1.00 0.00 H new ATOM 0 HD13 LEU A 27 2.531 2.159 -1.449 1.00 0.00 H new ATOM 0 HD21 LEU A 27 4.959 1.654 0.372 1.00 0.00 H new ATOM 0 HD22 LEU A 27 4.912 2.927 -0.871 1.00 0.00 H new ATOM 0 HD23 LEU A 27 5.283 3.346 0.818 1.00 0.00 H new ATOM 419 N LYS A 28 1.732 7.061 0.105 1.00 0.00 N ATOM 420 CA LYS A 28 1.641 8.461 0.502 1.00 0.00 C ATOM 421 C LYS A 28 0.193 8.860 0.770 1.00 0.00 C ATOM 422 O LYS A 28 -0.139 9.328 1.859 1.00 0.00 O ATOM 423 CB LYS A 28 2.243 9.359 -0.579 1.00 0.00 C ATOM 424 CG LYS A 28 2.684 10.721 -0.064 1.00 0.00 C ATOM 425 CD LYS A 28 1.915 11.849 -0.732 1.00 0.00 C ATOM 426 CE LYS A 28 2.449 12.140 -2.126 1.00 0.00 C ATOM 427 NZ LYS A 28 2.643 13.599 -2.350 1.00 0.00 N ATOM 0 H LYS A 28 2.260 6.900 -0.753 1.00 0.00 H new ATOM 0 HA LYS A 28 2.207 8.589 1.425 1.00 0.00 H new ATOM 0 HB2 LYS A 28 3.100 8.853 -1.024 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.509 9.500 -1.372 1.00 0.00 H new ATOM 0 HG2 LYS A 28 2.535 10.768 1.015 1.00 0.00 H new ATOM 0 HG3 LYS A 28 3.751 10.851 -0.245 1.00 0.00 H new ATOM 0 HD2 LYS A 28 0.859 11.584 -0.794 1.00 0.00 H new ATOM 0 HD3 LYS A 28 1.983 12.749 -0.120 1.00 0.00 H new ATOM 0 HE2 LYS A 28 3.397 11.621 -2.268 1.00 0.00 H new ATOM 0 HE3 LYS A 28 1.756 11.747 -2.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 3.008 13.757 -3.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 1.733 14.091 -2.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 3.323 13.969 -1.656 1.00 0.00 H new ATOM 441 N LEU A 29 -0.664 8.677 -0.229 1.00 0.00 N ATOM 442 CA LEU A 29 -2.075 9.022 -0.092 1.00 0.00 C ATOM 443 C LEU A 29 -2.688 8.351 1.136 1.00 0.00 C ATOM 444 O LEU A 29 -3.606 8.891 1.753 1.00 0.00 O ATOM 445 CB LEU A 29 -2.848 8.624 -1.351 1.00 0.00 C ATOM 446 CG LEU A 29 -2.748 9.619 -2.509 1.00 0.00 C ATOM 447 CD1 LEU A 29 -3.267 8.998 -3.797 1.00 0.00 C ATOM 448 CD2 LEU A 29 -3.515 10.892 -2.181 1.00 0.00 C ATOM 0 H LEU A 29 -0.408 8.293 -1.139 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.145 10.102 0.038 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -2.485 7.654 -1.692 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -3.899 8.497 -1.090 1.00 0.00 H new ATOM 0 HG LEU A 29 -1.698 9.875 -2.654 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -3.187 9.722 -4.608 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -2.676 8.115 -4.039 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -4.311 8.711 -3.668 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -3.435 11.590 -3.014 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -4.564 10.651 -2.010 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -3.096 11.348 -1.284 1.00 0.00 H new ATOM 460 N GLU A 30 -2.181 7.172 1.488 1.00 0.00 N ATOM 461 CA GLU A 30 -2.691 6.440 2.644 1.00 0.00 C ATOM 462 C GLU A 30 -2.047 6.914 3.943 1.00 0.00 C ATOM 463 O GLU A 30 -2.525 6.591 5.031 1.00 0.00 O ATOM 464 CB GLU A 30 -2.443 4.943 2.480 1.00 0.00 C ATOM 465 CG GLU A 30 -3.515 4.238 1.674 1.00 0.00 C ATOM 466 CD GLU A 30 -4.417 3.371 2.530 1.00 0.00 C ATOM 467 OE1 GLU A 30 -4.720 3.774 3.672 1.00 0.00 O ATOM 468 OE2 GLU A 30 -4.823 2.288 2.057 1.00 0.00 O ATOM 0 H GLU A 30 -1.422 6.705 0.992 1.00 0.00 H new ATOM 0 HA GLU A 30 -3.762 6.634 2.699 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -1.478 4.793 1.996 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -2.379 4.483 3.466 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -4.120 4.981 1.153 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -3.042 3.620 0.911 1.00 0.00 H new ATOM 475 N GLY A 31 -0.965 7.675 3.833 1.00 0.00 N ATOM 476 CA GLY A 31 -0.290 8.164 5.018 1.00 0.00 C ATOM 477 C GLY A 31 0.877 7.285 5.432 1.00 0.00 C ATOM 478 O GLY A 31 1.350 7.370 6.566 1.00 0.00 O ATOM 0 H GLY A 31 -0.545 7.961 2.948 1.00 0.00 H new ATOM 0 HA2 GLY A 31 0.070 9.176 4.834 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -1.004 8.224 5.839 1.00 0.00 H new ATOM 482 N TRP A 32 1.357 6.449 4.512 1.00 0.00 N ATOM 483 CA TRP A 32 2.488 5.571 4.802 1.00 0.00 C ATOM 484 C TRP A 32 3.758 6.401 4.945 1.00 0.00 C ATOM 485 O TRP A 32 4.384 6.420 6.005 1.00 0.00 O ATOM 486 CB TRP A 32 2.665 4.521 3.696 1.00 0.00 C ATOM 487 CG TRP A 32 1.500 3.582 3.560 1.00 0.00 C ATOM 488 CD1 TRP A 32 0.177 3.919 3.566 1.00 0.00 C ATOM 489 CD2 TRP A 32 1.547 2.152 3.391 1.00 0.00 C ATOM 490 NE1 TRP A 32 -0.599 2.799 3.411 1.00 0.00 N ATOM 491 CE2 TRP A 32 0.214 1.705 3.303 1.00 0.00 C ATOM 492 CE3 TRP A 32 2.578 1.202 3.304 1.00 0.00 C ATOM 493 CZ2 TRP A 32 -0.115 0.365 3.133 1.00 0.00 C ATOM 494 CZ3 TRP A 32 2.240 -0.129 3.135 1.00 0.00 C ATOM 495 CH2 TRP A 32 0.907 -0.535 3.051 1.00 0.00 C ATOM 0 H TRP A 32 0.983 6.362 3.567 1.00 0.00 H new ATOM 0 HA TRP A 32 2.290 5.048 5.737 1.00 0.00 H new ATOM 0 HB2 TRP A 32 2.822 5.031 2.745 1.00 0.00 H new ATOM 0 HB3 TRP A 32 3.565 3.941 3.899 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -0.204 4.924 3.677 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -1.618 2.784 3.381 1.00 0.00 H new ATOM 0 HE3 TRP A 32 3.613 1.504 3.368 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -1.145 0.047 3.068 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 3.024 -0.869 3.067 1.00 0.00 H new ATOM 0 HH2 TRP A 32 0.680 -1.583 2.918 1.00 0.00 H new ATOM 506 N SER A 33 4.120 7.101 3.874 1.00 0.00 N ATOM 507 CA SER A 33 5.302 7.954 3.876 1.00 0.00 C ATOM 508 C SER A 33 4.886 9.422 3.915 1.00 0.00 C ATOM 509 O SER A 33 3.987 9.835 3.183 1.00 0.00 O ATOM 510 CB SER A 33 6.153 7.675 2.637 1.00 0.00 C ATOM 511 OG SER A 33 7.511 8.010 2.861 1.00 0.00 O ATOM 0 H SER A 33 3.609 7.093 2.991 1.00 0.00 H new ATOM 0 HA SER A 33 5.896 7.735 4.763 1.00 0.00 H new ATOM 0 HB2 SER A 33 6.075 6.621 2.369 1.00 0.00 H new ATOM 0 HB3 SER A 33 5.769 8.248 1.793 1.00 0.00 H new ATOM 0 HG SER A 33 8.032 7.820 2.053 1.00 0.00 H new ATOM 517 N GLU A 34 5.528 10.208 4.777 1.00 0.00 N ATOM 518 CA GLU A 34 5.191 11.623 4.899 1.00 0.00 C ATOM 519 C GLU A 34 5.489 12.371 3.603 1.00 0.00 C ATOM 520 O GLU A 34 4.762 13.288 3.222 1.00 0.00 O ATOM 521 CB GLU A 34 5.972 12.255 6.052 1.00 0.00 C ATOM 522 CG GLU A 34 5.561 11.740 7.422 1.00 0.00 C ATOM 523 CD GLU A 34 6.587 12.051 8.494 1.00 0.00 C ATOM 524 OE1 GLU A 34 7.505 12.856 8.225 1.00 0.00 O ATOM 525 OE2 GLU A 34 6.474 11.491 9.605 1.00 0.00 O ATOM 0 H GLU A 34 6.276 9.893 5.395 1.00 0.00 H new ATOM 0 HA GLU A 34 4.123 11.698 5.103 1.00 0.00 H new ATOM 0 HB2 GLU A 34 7.035 12.065 5.906 1.00 0.00 H new ATOM 0 HB3 GLU A 34 5.834 13.336 6.023 1.00 0.00 H new ATOM 0 HG2 GLU A 34 4.605 12.183 7.700 1.00 0.00 H new ATOM 0 HG3 GLU A 34 5.410 10.662 7.370 1.00 0.00 H new ATOM 532 N SER A 35 6.548 11.958 2.920 1.00 0.00 N ATOM 533 CA SER A 35 6.926 12.573 1.655 1.00 0.00 C ATOM 534 C SER A 35 6.588 11.644 0.496 1.00 0.00 C ATOM 535 O SER A 35 5.933 12.041 -0.468 1.00 0.00 O ATOM 536 CB SER A 35 8.418 12.902 1.644 1.00 0.00 C ATOM 537 OG SER A 35 9.193 11.722 1.584 1.00 0.00 O ATOM 0 H SER A 35 7.160 11.200 3.221 1.00 0.00 H new ATOM 0 HA SER A 35 6.364 13.500 1.541 1.00 0.00 H new ATOM 0 HB2 SER A 35 8.648 13.537 0.789 1.00 0.00 H new ATOM 0 HB3 SER A 35 8.677 13.467 2.540 1.00 0.00 H new ATOM 0 HG SER A 35 9.944 11.855 0.969 1.00 0.00 H new ATOM 543 N GLY A 36 7.046 10.400 0.606 1.00 0.00 N ATOM 544 CA GLY A 36 6.795 9.415 -0.427 1.00 0.00 C ATOM 545 C GLY A 36 8.008 8.545 -0.700 1.00 0.00 C ATOM 546 O GLY A 36 7.876 7.347 -0.949 1.00 0.00 O ATOM 0 H GLY A 36 7.590 10.057 1.398 1.00 0.00 H new ATOM 0 HA2 GLY A 36 5.958 8.784 -0.129 1.00 0.00 H new ATOM 0 HA3 GLY A 36 6.500 9.922 -1.346 1.00 0.00 H new ATOM 550 N ALA A 37 9.192 9.150 -0.654 1.00 0.00 N ATOM 551 CA ALA A 37 10.433 8.423 -0.898 1.00 0.00 C ATOM 552 C ALA A 37 11.518 8.795 0.118 1.00 0.00 C ATOM 553 O ALA A 37 12.684 8.440 -0.054 1.00 0.00 O ATOM 554 CB ALA A 37 10.920 8.684 -2.315 1.00 0.00 C ATOM 0 H ALA A 37 9.317 10.141 -0.450 1.00 0.00 H new ATOM 0 HA ALA A 37 10.226 7.359 -0.780 1.00 0.00 H new ATOM 0 HB1 ALA A 37 11.847 8.137 -2.488 1.00 0.00 H new ATOM 0 HB2 ALA A 37 10.164 8.351 -3.027 1.00 0.00 H new ATOM 0 HB3 ALA A 37 11.098 9.751 -2.448 1.00 0.00 H new ATOM 560 N GLN A 38 11.134 9.509 1.175 1.00 0.00 N ATOM 561 CA GLN A 38 12.087 9.916 2.205 1.00 0.00 C ATOM 562 C GLN A 38 12.681 8.697 2.905 1.00 0.00 C ATOM 563 O GLN A 38 13.874 8.421 2.784 1.00 0.00 O ATOM 564 CB GLN A 38 11.412 10.828 3.232 1.00 0.00 C ATOM 565 CG GLN A 38 12.385 11.497 4.188 1.00 0.00 C ATOM 566 CD GLN A 38 13.102 12.675 3.556 1.00 0.00 C ATOM 567 OE1 GLN A 38 14.082 12.505 2.829 1.00 0.00 O ATOM 568 NE2 GLN A 38 12.618 13.880 3.833 1.00 0.00 N ATOM 0 H GLN A 38 10.175 9.816 1.340 1.00 0.00 H new ATOM 0 HA GLN A 38 12.892 10.467 1.719 1.00 0.00 H new ATOM 0 HB2 GLN A 38 10.847 11.597 2.706 1.00 0.00 H new ATOM 0 HB3 GLN A 38 10.695 10.243 3.808 1.00 0.00 H new ATOM 0 HG2 GLN A 38 11.845 11.836 5.072 1.00 0.00 H new ATOM 0 HG3 GLN A 38 13.120 10.766 4.524 1.00 0.00 H new ATOM 0 HE21 GLN A 38 11.804 13.975 4.440 1.00 0.00 H new ATOM 0 HE22 GLN A 38 13.060 14.710 3.439 1.00 0.00 H new ATOM 577 N ALA A 39 11.840 7.972 3.638 1.00 0.00 N ATOM 578 CA ALA A 39 12.279 6.782 4.358 1.00 0.00 C ATOM 579 C ALA A 39 12.446 5.583 3.422 1.00 0.00 C ATOM 580 O ALA A 39 12.546 4.445 3.877 1.00 0.00 O ATOM 581 CB ALA A 39 11.286 6.449 5.461 1.00 0.00 C ATOM 0 H ALA A 39 10.849 8.189 3.748 1.00 0.00 H new ATOM 0 HA ALA A 39 13.253 6.997 4.797 1.00 0.00 H new ATOM 0 HB1 ALA A 39 11.620 5.559 5.995 1.00 0.00 H new ATOM 0 HB2 ALA A 39 11.220 7.286 6.156 1.00 0.00 H new ATOM 0 HB3 ALA A 39 10.305 6.263 5.024 1.00 0.00 H new ATOM 587 N LYS A 40 12.471 5.838 2.114 1.00 0.00 N ATOM 588 CA LYS A 40 12.620 4.771 1.133 1.00 0.00 C ATOM 589 C LYS A 40 11.410 3.842 1.157 1.00 0.00 C ATOM 590 O LYS A 40 11.506 2.673 0.790 1.00 0.00 O ATOM 591 CB LYS A 40 13.901 3.976 1.400 1.00 0.00 C ATOM 592 CG LYS A 40 15.118 4.851 1.656 1.00 0.00 C ATOM 593 CD LYS A 40 15.718 5.363 0.358 1.00 0.00 C ATOM 594 CE LYS A 40 17.137 5.871 0.560 1.00 0.00 C ATOM 595 NZ LYS A 40 17.643 6.598 -0.635 1.00 0.00 N ATOM 0 H LYS A 40 12.390 6.772 1.713 1.00 0.00 H new ATOM 0 HA LYS A 40 12.687 5.224 0.144 1.00 0.00 H new ATOM 0 HB2 LYS A 40 13.743 3.327 2.261 1.00 0.00 H new ATOM 0 HB3 LYS A 40 14.102 3.329 0.546 1.00 0.00 H new ATOM 0 HG2 LYS A 40 14.835 5.695 2.285 1.00 0.00 H new ATOM 0 HG3 LYS A 40 15.868 4.282 2.205 1.00 0.00 H new ATOM 0 HD2 LYS A 40 15.719 4.564 -0.383 1.00 0.00 H new ATOM 0 HD3 LYS A 40 15.097 6.166 -0.039 1.00 0.00 H new ATOM 0 HE2 LYS A 40 17.166 6.532 1.426 1.00 0.00 H new ATOM 0 HE3 LYS A 40 17.795 5.030 0.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 18.613 6.928 -0.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 17.640 5.960 -1.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 17.030 7.415 -0.829 1.00 0.00 H new ATOM 609 N ILE A 41 10.271 4.374 1.596 1.00 0.00 N ATOM 610 CA ILE A 41 9.043 3.594 1.672 1.00 0.00 C ATOM 611 C ILE A 41 8.595 3.131 0.289 1.00 0.00 C ATOM 612 O ILE A 41 7.932 2.102 0.155 1.00 0.00 O ATOM 613 CB ILE A 41 7.909 4.399 2.343 1.00 0.00 C ATOM 614 CG1 ILE A 41 8.382 4.924 3.707 1.00 0.00 C ATOM 615 CG2 ILE A 41 6.654 3.541 2.487 1.00 0.00 C ATOM 616 CD1 ILE A 41 7.262 5.361 4.632 1.00 0.00 C ATOM 0 H ILE A 41 10.176 5.342 1.904 1.00 0.00 H new ATOM 0 HA ILE A 41 9.258 2.717 2.282 1.00 0.00 H new ATOM 0 HB ILE A 41 7.655 5.252 1.713 1.00 0.00 H new ATOM 0 HG12 ILE A 41 8.962 4.145 4.201 1.00 0.00 H new ATOM 0 HG13 ILE A 41 9.053 5.767 3.545 1.00 0.00 H new ATOM 0 HG21 ILE A 41 5.866 4.126 2.962 1.00 0.00 H new ATOM 0 HG22 ILE A 41 6.321 3.216 1.502 1.00 0.00 H new ATOM 0 HG23 ILE A 41 6.878 2.668 3.101 1.00 0.00 H new ATOM 0 HD11 ILE A 41 7.684 5.717 5.572 1.00 0.00 H new ATOM 0 HD12 ILE A 41 6.694 6.164 4.162 1.00 0.00 H new ATOM 0 HD13 ILE A 41 6.602 4.516 4.828 1.00 0.00 H new ATOM 628 N ALA A 42 8.964 3.885 -0.739 1.00 0.00 N ATOM 629 CA ALA A 42 8.599 3.531 -2.105 1.00 0.00 C ATOM 630 C ALA A 42 9.322 2.261 -2.541 1.00 0.00 C ATOM 631 O ALA A 42 8.741 1.171 -2.544 1.00 0.00 O ATOM 632 CB ALA A 42 8.904 4.682 -3.053 1.00 0.00 C ATOM 0 H ALA A 42 9.513 4.741 -0.654 1.00 0.00 H new ATOM 0 HA ALA A 42 7.527 3.338 -2.138 1.00 0.00 H new ATOM 0 HB1 ALA A 42 8.625 4.401 -4.069 1.00 0.00 H new ATOM 0 HB2 ALA A 42 8.336 5.562 -2.752 1.00 0.00 H new ATOM 0 HB3 ALA A 42 9.970 4.909 -3.019 1.00 0.00 H new ATOM 638 N ILE A 43 10.598 2.403 -2.902 1.00 0.00 N ATOM 639 CA ILE A 43 11.400 1.262 -3.327 1.00 0.00 C ATOM 640 C ILE A 43 11.213 0.098 -2.363 1.00 0.00 C ATOM 641 O ILE A 43 11.177 -1.066 -2.769 1.00 0.00 O ATOM 642 CB ILE A 43 12.899 1.614 -3.409 1.00 0.00 C ATOM 643 CG1 ILE A 43 13.105 2.933 -4.161 1.00 0.00 C ATOM 644 CG2 ILE A 43 13.666 0.489 -4.087 1.00 0.00 C ATOM 645 CD1 ILE A 43 12.440 2.970 -5.520 1.00 0.00 C ATOM 0 H ILE A 43 11.094 3.294 -2.908 1.00 0.00 H new ATOM 0 HA ILE A 43 11.058 0.980 -4.323 1.00 0.00 H new ATOM 0 HB ILE A 43 13.281 1.737 -2.396 1.00 0.00 H new ATOM 0 HG12 ILE A 43 12.717 3.751 -3.554 1.00 0.00 H new ATOM 0 HG13 ILE A 43 14.174 3.107 -4.285 1.00 0.00 H new ATOM 0 HG21 ILE A 43 14.723 0.749 -4.139 1.00 0.00 H new ATOM 0 HG22 ILE A 43 13.546 -0.430 -3.513 1.00 0.00 H new ATOM 0 HG23 ILE A 43 13.279 0.341 -5.095 1.00 0.00 H new ATOM 0 HD11 ILE A 43 12.630 3.934 -5.992 1.00 0.00 H new ATOM 0 HD12 ILE A 43 12.845 2.174 -6.145 1.00 0.00 H new ATOM 0 HD13 ILE A 43 11.366 2.828 -5.403 1.00 0.00 H new ATOM 657 N ALA A 44 11.065 0.427 -1.083 1.00 0.00 N ATOM 658 CA ALA A 44 10.849 -0.583 -0.062 1.00 0.00 C ATOM 659 C ALA A 44 9.528 -1.293 -0.316 1.00 0.00 C ATOM 660 O ALA A 44 9.498 -2.498 -0.565 1.00 0.00 O ATOM 661 CB ALA A 44 10.869 0.042 1.324 1.00 0.00 C ATOM 0 H ALA A 44 11.091 1.385 -0.732 1.00 0.00 H new ATOM 0 HA ALA A 44 11.656 -1.314 -0.109 1.00 0.00 H new ATOM 0 HB1 ALA A 44 10.705 -0.732 2.074 1.00 0.00 H new ATOM 0 HB2 ALA A 44 11.836 0.515 1.496 1.00 0.00 H new ATOM 0 HB3 ALA A 44 10.080 0.791 1.397 1.00 0.00 H new ATOM 667 N GLU A 45 8.432 -0.531 -0.254 1.00 0.00 N ATOM 668 CA GLU A 45 7.093 -1.074 -0.487 1.00 0.00 C ATOM 669 C GLU A 45 7.138 -2.209 -1.502 1.00 0.00 C ATOM 670 O GLU A 45 6.490 -3.241 -1.326 1.00 0.00 O ATOM 671 CB GLU A 45 6.155 0.026 -0.983 1.00 0.00 C ATOM 672 CG GLU A 45 4.740 -0.458 -1.253 1.00 0.00 C ATOM 673 CD GLU A 45 4.104 -1.100 -0.037 1.00 0.00 C ATOM 674 OE1 GLU A 45 3.908 -0.392 0.974 1.00 0.00 O ATOM 675 OE2 GLU A 45 3.805 -2.311 -0.093 1.00 0.00 O ATOM 0 H GLU A 45 8.448 0.467 -0.044 1.00 0.00 H new ATOM 0 HA GLU A 45 6.717 -1.467 0.458 1.00 0.00 H new ATOM 0 HB2 GLU A 45 6.122 0.825 -0.242 1.00 0.00 H new ATOM 0 HB3 GLU A 45 6.564 0.456 -1.897 1.00 0.00 H new ATOM 0 HG2 GLU A 45 4.128 0.383 -1.578 1.00 0.00 H new ATOM 0 HG3 GLU A 45 4.755 -1.176 -2.073 1.00 0.00 H new ATOM 682 N GLY A 46 7.927 -2.017 -2.554 1.00 0.00 N ATOM 683 CA GLY A 46 8.061 -3.045 -3.566 1.00 0.00 C ATOM 684 C GLY A 46 8.777 -4.270 -3.031 1.00 0.00 C ATOM 685 O GLY A 46 8.167 -5.325 -2.851 1.00 0.00 O ATOM 0 H GLY A 46 8.473 -1.172 -2.722 1.00 0.00 H new ATOM 0 HA2 GLY A 46 7.073 -3.330 -3.928 1.00 0.00 H new ATOM 0 HA3 GLY A 46 8.610 -2.646 -4.419 1.00 0.00 H new ATOM 689 N GLN A 47 10.084 -4.137 -2.804 1.00 0.00 N ATOM 690 CA GLN A 47 10.905 -5.248 -2.313 1.00 0.00 C ATOM 691 C GLN A 47 10.220 -6.029 -1.186 1.00 0.00 C ATOM 692 O GLN A 47 10.583 -7.173 -0.916 1.00 0.00 O ATOM 693 CB GLN A 47 12.281 -4.754 -1.844 1.00 0.00 C ATOM 694 CG GLN A 47 12.238 -3.502 -0.983 1.00 0.00 C ATOM 695 CD GLN A 47 12.182 -3.813 0.500 1.00 0.00 C ATOM 696 OE1 GLN A 47 11.575 -4.797 0.917 1.00 0.00 O ATOM 697 NE2 GLN A 47 12.820 -2.971 1.306 1.00 0.00 N ATOM 0 H GLN A 47 10.599 -3.269 -2.952 1.00 0.00 H new ATOM 0 HA GLN A 47 11.037 -5.928 -3.155 1.00 0.00 H new ATOM 0 HB2 GLN A 47 12.767 -5.551 -1.281 1.00 0.00 H new ATOM 0 HB3 GLN A 47 12.901 -4.558 -2.719 1.00 0.00 H new ATOM 0 HG2 GLN A 47 13.119 -2.894 -1.189 1.00 0.00 H new ATOM 0 HG3 GLN A 47 11.368 -2.906 -1.258 1.00 0.00 H new ATOM 0 HE21 GLN A 47 13.312 -2.166 0.917 1.00 0.00 H new ATOM 0 HE22 GLN A 47 12.818 -3.129 2.314 1.00 0.00 H new ATOM 706 N VAL A 48 9.230 -5.420 -0.534 1.00 0.00 N ATOM 707 CA VAL A 48 8.519 -6.090 0.547 1.00 0.00 C ATOM 708 C VAL A 48 7.538 -7.132 -0.005 1.00 0.00 C ATOM 709 O VAL A 48 7.879 -8.310 -0.101 1.00 0.00 O ATOM 710 CB VAL A 48 7.771 -5.093 1.449 1.00 0.00 C ATOM 711 CG1 VAL A 48 7.211 -5.808 2.671 1.00 0.00 C ATOM 712 CG2 VAL A 48 8.690 -3.952 1.853 1.00 0.00 C ATOM 0 H VAL A 48 8.907 -4.474 -0.735 1.00 0.00 H new ATOM 0 HA VAL A 48 9.270 -6.595 1.154 1.00 0.00 H new ATOM 0 HB VAL A 48 6.936 -4.669 0.892 1.00 0.00 H new ATOM 0 HG11 VAL A 48 6.684 -5.092 3.302 1.00 0.00 H new ATOM 0 HG12 VAL A 48 6.520 -6.588 2.351 1.00 0.00 H new ATOM 0 HG13 VAL A 48 8.028 -6.257 3.236 1.00 0.00 H new ATOM 0 HG21 VAL A 48 8.146 -3.255 2.491 1.00 0.00 H new ATOM 0 HG22 VAL A 48 9.546 -4.350 2.398 1.00 0.00 H new ATOM 0 HG23 VAL A 48 9.038 -3.431 0.961 1.00 0.00 H new ATOM 722 N LYS A 49 6.326 -6.708 -0.370 1.00 0.00 N ATOM 723 CA LYS A 49 5.336 -7.633 -0.913 1.00 0.00 C ATOM 724 C LYS A 49 4.130 -6.883 -1.471 1.00 0.00 C ATOM 725 O LYS A 49 3.587 -5.991 -0.821 1.00 0.00 O ATOM 726 CB LYS A 49 4.878 -8.614 0.171 1.00 0.00 C ATOM 727 CG LYS A 49 5.461 -10.008 0.018 1.00 0.00 C ATOM 728 CD LYS A 49 4.434 -10.982 -0.542 1.00 0.00 C ATOM 729 CE LYS A 49 3.515 -11.513 0.548 1.00 0.00 C ATOM 730 NZ LYS A 49 2.386 -10.582 0.828 1.00 0.00 N ATOM 0 H LYS A 49 6.011 -5.740 -0.300 1.00 0.00 H new ATOM 0 HA LYS A 49 5.805 -8.186 -1.727 1.00 0.00 H new ATOM 0 HB2 LYS A 49 5.156 -8.218 1.148 1.00 0.00 H new ATOM 0 HB3 LYS A 49 3.790 -8.681 0.152 1.00 0.00 H new ATOM 0 HG2 LYS A 49 6.327 -9.971 -0.642 1.00 0.00 H new ATOM 0 HG3 LYS A 49 5.813 -10.365 0.986 1.00 0.00 H new ATOM 0 HD2 LYS A 49 3.840 -10.485 -1.309 1.00 0.00 H new ATOM 0 HD3 LYS A 49 4.946 -11.814 -1.025 1.00 0.00 H new ATOM 0 HE2 LYS A 49 3.119 -12.483 0.248 1.00 0.00 H new ATOM 0 HE3 LYS A 49 4.089 -11.672 1.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 1.581 -11.118 1.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 2.688 -9.869 1.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 2.100 -10.108 -0.053 1.00 0.00 H new ATOM 744 N VAL A 50 3.705 -7.259 -2.676 1.00 0.00 N ATOM 745 CA VAL A 50 2.557 -6.630 -3.311 1.00 0.00 C ATOM 746 C VAL A 50 1.642 -7.692 -3.905 1.00 0.00 C ATOM 747 O VAL A 50 2.113 -8.716 -4.397 1.00 0.00 O ATOM 748 CB VAL A 50 2.984 -5.652 -4.425 1.00 0.00 C ATOM 749 CG1 VAL A 50 1.829 -4.739 -4.811 1.00 0.00 C ATOM 750 CG2 VAL A 50 4.193 -4.836 -3.990 1.00 0.00 C ATOM 0 H VAL A 50 4.141 -7.997 -3.229 1.00 0.00 H new ATOM 0 HA VAL A 50 2.028 -6.066 -2.542 1.00 0.00 H new ATOM 0 HB VAL A 50 3.265 -6.236 -5.302 1.00 0.00 H new ATOM 0 HG11 VAL A 50 2.151 -4.057 -5.598 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.995 -5.341 -5.171 1.00 0.00 H new ATOM 0 HG13 VAL A 50 1.513 -4.164 -3.940 1.00 0.00 H new ATOM 0 HG21 VAL A 50 4.478 -4.153 -4.790 1.00 0.00 H new ATOM 0 HG22 VAL A 50 3.944 -4.264 -3.096 1.00 0.00 H new ATOM 0 HG23 VAL A 50 5.025 -5.506 -3.772 1.00 0.00 H new ATOM 760 N ASP A 51 0.338 -7.454 -3.849 1.00 0.00 N ATOM 761 CA ASP A 51 -0.636 -8.403 -4.380 1.00 0.00 C ATOM 762 C ASP A 51 -0.265 -8.853 -5.787 1.00 0.00 C ATOM 763 O ASP A 51 -0.657 -8.227 -6.772 1.00 0.00 O ATOM 764 CB ASP A 51 -2.026 -7.781 -4.399 1.00 0.00 C ATOM 765 CG ASP A 51 -3.127 -8.823 -4.404 1.00 0.00 C ATOM 766 OD1 ASP A 51 -3.247 -9.555 -5.410 1.00 0.00 O ATOM 767 OD2 ASP A 51 -3.868 -8.909 -3.402 1.00 0.00 O ATOM 0 H ASP A 51 -0.071 -6.613 -3.442 1.00 0.00 H new ATOM 0 HA ASP A 51 -0.634 -9.275 -3.726 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -2.144 -7.136 -3.528 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -2.125 -7.148 -5.280 1.00 0.00 H new ATOM 772 N GLY A 52 0.486 -9.941 -5.875 1.00 0.00 N ATOM 773 CA GLY A 52 0.889 -10.455 -7.167 1.00 0.00 C ATOM 774 C GLY A 52 2.252 -9.953 -7.602 1.00 0.00 C ATOM 775 O GLY A 52 2.782 -10.407 -8.617 1.00 0.00 O ATOM 0 H GLY A 52 0.823 -10.477 -5.075 1.00 0.00 H new ATOM 0 HA2 GLY A 52 0.903 -11.544 -7.131 1.00 0.00 H new ATOM 0 HA3 GLY A 52 0.147 -10.170 -7.913 1.00 0.00 H new ATOM 779 N ALA A 53 2.827 -9.014 -6.850 1.00 0.00 N ATOM 780 CA ALA A 53 4.132 -8.467 -7.196 1.00 0.00 C ATOM 781 C ALA A 53 5.080 -8.511 -6.006 1.00 0.00 C ATOM 782 O ALA A 53 4.740 -8.076 -4.906 1.00 0.00 O ATOM 783 CB ALA A 53 3.988 -7.042 -7.709 1.00 0.00 C ATOM 0 H ALA A 53 2.411 -8.621 -6.005 1.00 0.00 H new ATOM 0 HA ALA A 53 4.558 -9.084 -7.987 1.00 0.00 H new ATOM 0 HB1 ALA A 53 4.971 -6.646 -7.964 1.00 0.00 H new ATOM 0 HB2 ALA A 53 3.354 -7.037 -8.596 1.00 0.00 H new ATOM 0 HB3 ALA A 53 3.536 -6.421 -6.936 1.00 0.00 H new ATOM 789 N VAL A 54 6.283 -9.017 -6.243 1.00 0.00 N ATOM 790 CA VAL A 54 7.306 -9.101 -5.213 1.00 0.00 C ATOM 791 C VAL A 54 8.579 -8.400 -5.687 1.00 0.00 C ATOM 792 O VAL A 54 9.690 -8.817 -5.357 1.00 0.00 O ATOM 793 CB VAL A 54 7.618 -10.571 -4.861 1.00 0.00 C ATOM 794 CG1 VAL A 54 8.343 -11.270 -6.005 1.00 0.00 C ATOM 795 CG2 VAL A 54 8.422 -10.655 -3.572 1.00 0.00 C ATOM 0 H VAL A 54 6.575 -9.379 -7.151 1.00 0.00 H new ATOM 0 HA VAL A 54 6.930 -8.607 -4.317 1.00 0.00 H new ATOM 0 HB VAL A 54 6.671 -11.089 -4.706 1.00 0.00 H new ATOM 0 HG11 VAL A 54 8.549 -12.304 -5.727 1.00 0.00 H new ATOM 0 HG12 VAL A 54 7.717 -11.252 -6.897 1.00 0.00 H new ATOM 0 HG13 VAL A 54 9.282 -10.755 -6.209 1.00 0.00 H new ATOM 0 HG21 VAL A 54 8.632 -11.699 -3.341 1.00 0.00 H new ATOM 0 HG22 VAL A 54 9.361 -10.115 -3.693 1.00 0.00 H new ATOM 0 HG23 VAL A 54 7.850 -10.211 -2.757 1.00 0.00 H new ATOM 805 N GLU A 55 8.409 -7.351 -6.487 1.00 0.00 N ATOM 806 CA GLU A 55 9.542 -6.611 -7.034 1.00 0.00 C ATOM 807 C GLU A 55 9.784 -5.303 -6.285 1.00 0.00 C ATOM 808 O GLU A 55 8.871 -4.739 -5.684 1.00 0.00 O ATOM 809 CB GLU A 55 9.307 -6.316 -8.516 1.00 0.00 C ATOM 810 CG GLU A 55 8.949 -7.549 -9.332 1.00 0.00 C ATOM 811 CD GLU A 55 7.934 -7.255 -10.421 1.00 0.00 C ATOM 812 OE1 GLU A 55 6.912 -6.604 -10.119 1.00 0.00 O ATOM 813 OE2 GLU A 55 8.160 -7.678 -11.574 1.00 0.00 O ATOM 0 H GLU A 55 7.497 -6.994 -6.771 1.00 0.00 H new ATOM 0 HA GLU A 55 10.428 -7.234 -6.915 1.00 0.00 H new ATOM 0 HB2 GLU A 55 8.506 -5.583 -8.610 1.00 0.00 H new ATOM 0 HB3 GLU A 55 10.205 -5.862 -8.934 1.00 0.00 H new ATOM 0 HG2 GLU A 55 9.854 -7.956 -9.784 1.00 0.00 H new ATOM 0 HG3 GLU A 55 8.552 -8.317 -8.668 1.00 0.00 H new ATOM 820 N THR A 56 11.029 -4.834 -6.330 1.00 0.00 N ATOM 821 CA THR A 56 11.409 -3.597 -5.655 1.00 0.00 C ATOM 822 C THR A 56 11.303 -2.391 -6.587 1.00 0.00 C ATOM 823 O THR A 56 12.206 -1.558 -6.652 1.00 0.00 O ATOM 824 CB THR A 56 12.828 -3.718 -5.090 1.00 0.00 C ATOM 825 OG1 THR A 56 13.113 -2.641 -4.215 1.00 0.00 O ATOM 826 CG2 THR A 56 13.910 -3.746 -6.151 1.00 0.00 C ATOM 0 H THR A 56 11.792 -5.293 -6.828 1.00 0.00 H new ATOM 0 HA THR A 56 10.712 -3.437 -4.833 1.00 0.00 H new ATOM 0 HB THR A 56 12.841 -4.673 -4.565 1.00 0.00 H new ATOM 0 HG1 THR A 56 12.276 -2.290 -3.845 1.00 0.00 H new ATOM 0 HG21 THR A 56 14.886 -3.833 -5.673 1.00 0.00 H new ATOM 0 HG22 THR A 56 13.751 -4.599 -6.810 1.00 0.00 H new ATOM 0 HG23 THR A 56 13.872 -2.826 -6.734 1.00 0.00 H new ATOM 834 N ARG A 57 10.186 -2.300 -7.299 1.00 0.00 N ATOM 835 CA ARG A 57 9.954 -1.195 -8.222 1.00 0.00 C ATOM 836 C ARG A 57 9.520 0.064 -7.477 1.00 0.00 C ATOM 837 O ARG A 57 9.210 0.018 -6.287 1.00 0.00 O ATOM 838 CB ARG A 57 8.882 -1.585 -9.244 1.00 0.00 C ATOM 839 CG ARG A 57 9.409 -1.707 -10.663 1.00 0.00 C ATOM 840 CD ARG A 57 8.813 -0.646 -11.575 1.00 0.00 C ATOM 841 NE ARG A 57 9.720 -0.294 -12.664 1.00 0.00 N ATOM 842 CZ ARG A 57 9.321 0.156 -13.851 1.00 0.00 C ATOM 843 NH1 ARG A 57 8.029 0.324 -14.110 1.00 0.00 N ATOM 844 NH2 ARG A 57 10.219 0.441 -14.786 1.00 0.00 N ATOM 0 H ARG A 57 9.426 -2.979 -7.255 1.00 0.00 H new ATOM 0 HA ARG A 57 10.891 -0.982 -8.737 1.00 0.00 H new ATOM 0 HB2 ARG A 57 8.438 -2.535 -8.947 1.00 0.00 H new ATOM 0 HB3 ARG A 57 8.085 -0.841 -9.224 1.00 0.00 H new ATOM 0 HG2 ARG A 57 10.495 -1.614 -10.658 1.00 0.00 H new ATOM 0 HG3 ARG A 57 9.175 -2.697 -11.055 1.00 0.00 H new ATOM 0 HD2 ARG A 57 7.872 -1.009 -11.989 1.00 0.00 H new ATOM 0 HD3 ARG A 57 8.582 0.246 -10.992 1.00 0.00 H new ATOM 0 HE ARG A 57 10.722 -0.400 -12.505 1.00 0.00 H new ATOM 0 HH11 ARG A 57 7.333 0.108 -13.396 1.00 0.00 H new ATOM 0 HH12 ARG A 57 7.733 0.669 -15.023 1.00 0.00 H new ATOM 0 HH21 ARG A 57 11.213 0.315 -14.594 1.00 0.00 H new ATOM 0 HH22 ARG A 57 9.915 0.786 -15.697 1.00 0.00 H new ATOM 858 N LYS A 58 9.481 1.184 -8.192 1.00 0.00 N ATOM 859 CA LYS A 58 9.062 2.449 -7.610 1.00 0.00 C ATOM 860 C LYS A 58 7.545 2.585 -7.705 1.00 0.00 C ATOM 861 O LYS A 58 6.904 3.178 -6.838 1.00 0.00 O ATOM 862 CB LYS A 58 9.749 3.617 -8.319 1.00 0.00 C ATOM 863 CG LYS A 58 9.344 3.775 -9.778 1.00 0.00 C ATOM 864 CD LYS A 58 10.552 3.760 -10.702 1.00 0.00 C ATOM 865 CE LYS A 58 10.398 4.763 -11.834 1.00 0.00 C ATOM 866 NZ LYS A 58 11.023 6.073 -11.504 1.00 0.00 N ATOM 0 H LYS A 58 9.736 1.238 -9.178 1.00 0.00 H new ATOM 0 HA LYS A 58 9.353 2.468 -6.560 1.00 0.00 H new ATOM 0 HB2 LYS A 58 9.519 4.539 -7.786 1.00 0.00 H new ATOM 0 HB3 LYS A 58 10.829 3.478 -8.264 1.00 0.00 H new ATOM 0 HG2 LYS A 58 8.663 2.970 -10.056 1.00 0.00 H new ATOM 0 HG3 LYS A 58 8.800 4.711 -9.905 1.00 0.00 H new ATOM 0 HD2 LYS A 58 11.452 3.989 -10.131 1.00 0.00 H new ATOM 0 HD3 LYS A 58 10.683 2.760 -11.115 1.00 0.00 H new ATOM 0 HE2 LYS A 58 10.853 4.361 -12.739 1.00 0.00 H new ATOM 0 HE3 LYS A 58 9.339 4.909 -12.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 10.896 6.729 -12.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 10.572 6.469 -10.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 12.039 5.938 -11.325 1.00 0.00 H new ATOM 880 N ARG A 59 6.982 2.013 -8.767 1.00 0.00 N ATOM 881 CA ARG A 59 5.542 2.043 -8.993 1.00 0.00 C ATOM 882 C ARG A 59 5.025 0.631 -9.251 1.00 0.00 C ATOM 883 O ARG A 59 5.762 -0.222 -9.745 1.00 0.00 O ATOM 884 CB ARG A 59 5.207 2.947 -10.182 1.00 0.00 C ATOM 885 CG ARG A 59 5.836 4.327 -10.099 1.00 0.00 C ATOM 886 CD ARG A 59 5.151 5.308 -11.039 1.00 0.00 C ATOM 887 NE ARG A 59 5.069 4.792 -12.402 1.00 0.00 N ATOM 888 CZ ARG A 59 4.674 5.516 -13.447 1.00 0.00 C ATOM 889 NH1 ARG A 59 4.319 6.787 -13.289 1.00 0.00 N ATOM 890 NH2 ARG A 59 4.632 4.969 -14.653 1.00 0.00 N ATOM 0 H ARG A 59 7.508 1.520 -9.489 1.00 0.00 H new ATOM 0 HA ARG A 59 5.058 2.443 -8.102 1.00 0.00 H new ATOM 0 HB2 ARG A 59 5.538 2.462 -11.100 1.00 0.00 H new ATOM 0 HB3 ARG A 59 4.125 3.055 -10.251 1.00 0.00 H new ATOM 0 HG2 ARG A 59 5.772 4.697 -9.076 1.00 0.00 H new ATOM 0 HG3 ARG A 59 6.895 4.261 -10.348 1.00 0.00 H new ATOM 0 HD2 ARG A 59 4.147 5.522 -10.671 1.00 0.00 H new ATOM 0 HD3 ARG A 59 5.698 6.251 -11.040 1.00 0.00 H new ATOM 0 HE ARG A 59 5.330 3.819 -12.563 1.00 0.00 H new ATOM 0 HH11 ARG A 59 4.348 7.213 -12.363 1.00 0.00 H new ATOM 0 HH12 ARG A 59 4.017 7.336 -14.094 1.00 0.00 H new ATOM 0 HH21 ARG A 59 4.902 3.994 -14.780 1.00 0.00 H new ATOM 0 HH22 ARG A 59 4.329 5.523 -15.454 1.00 0.00 H new ATOM 904 N CYS A 60 3.762 0.381 -8.914 1.00 0.00 N ATOM 905 CA CYS A 60 3.179 -0.939 -9.119 1.00 0.00 C ATOM 906 C CYS A 60 1.771 -0.834 -9.689 1.00 0.00 C ATOM 907 O CYS A 60 0.870 -0.295 -9.048 1.00 0.00 O ATOM 908 CB CYS A 60 3.157 -1.720 -7.802 1.00 0.00 C ATOM 909 SG CYS A 60 2.780 -3.479 -7.991 1.00 0.00 S ATOM 0 H CYS A 60 3.130 1.068 -8.502 1.00 0.00 H new ATOM 0 HA CYS A 60 3.799 -1.473 -9.839 1.00 0.00 H new ATOM 0 HB2 CYS A 60 4.127 -1.618 -7.315 1.00 0.00 H new ATOM 0 HB3 CYS A 60 2.418 -1.271 -7.138 1.00 0.00 H new ATOM 0 HG CYS A 60 3.667 -4.184 -7.354 1.00 0.00 H new ATOM 915 N LYS A 61 1.586 -1.361 -10.894 1.00 0.00 N ATOM 916 CA LYS A 61 0.282 -1.331 -11.545 1.00 0.00 C ATOM 917 C LYS A 61 -0.666 -2.320 -10.880 1.00 0.00 C ATOM 918 O LYS A 61 -0.622 -3.519 -11.158 1.00 0.00 O ATOM 919 CB LYS A 61 0.421 -1.654 -13.033 1.00 0.00 C ATOM 920 CG LYS A 61 0.318 -0.433 -13.932 1.00 0.00 C ATOM 921 CD LYS A 61 1.594 0.397 -13.897 1.00 0.00 C ATOM 922 CE LYS A 61 2.044 0.794 -15.294 1.00 0.00 C ATOM 923 NZ LYS A 61 1.694 2.206 -15.611 1.00 0.00 N ATOM 0 H LYS A 61 2.320 -1.813 -11.439 1.00 0.00 H new ATOM 0 HA LYS A 61 -0.131 -0.328 -11.443 1.00 0.00 H new ATOM 0 HB2 LYS A 61 1.382 -2.140 -13.203 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -0.352 -2.369 -13.315 1.00 0.00 H new ATOM 0 HG2 LYS A 61 0.117 -0.750 -14.955 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -0.525 0.182 -13.617 1.00 0.00 H new ATOM 0 HD2 LYS A 61 1.429 1.293 -13.299 1.00 0.00 H new ATOM 0 HD3 LYS A 61 2.385 -0.171 -13.408 1.00 0.00 H new ATOM 0 HE2 LYS A 61 3.122 0.659 -15.380 1.00 0.00 H new ATOM 0 HE3 LYS A 61 1.581 0.132 -16.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 1.369 2.270 -16.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 0.936 2.527 -14.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 2.532 2.809 -15.483 1.00 0.00 H new ATOM 937 N ILE A 62 -1.519 -1.811 -9.997 1.00 0.00 N ATOM 938 CA ILE A 62 -2.476 -2.651 -9.284 1.00 0.00 C ATOM 939 C ILE A 62 -3.866 -2.035 -9.301 1.00 0.00 C ATOM 940 O ILE A 62 -4.022 -0.818 -9.200 1.00 0.00 O ATOM 941 CB ILE A 62 -2.072 -2.873 -7.811 1.00 0.00 C ATOM 942 CG1 ILE A 62 -0.570 -3.133 -7.682 1.00 0.00 C ATOM 943 CG2 ILE A 62 -2.868 -4.024 -7.213 1.00 0.00 C ATOM 944 CD1 ILE A 62 0.098 -2.260 -6.643 1.00 0.00 C ATOM 0 H ILE A 62 -1.567 -0.821 -9.758 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.480 -3.609 -9.804 1.00 0.00 H new ATOM 0 HB ILE A 62 -2.301 -1.963 -7.256 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -0.410 -4.180 -7.425 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -0.094 -2.965 -8.648 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -2.573 -4.169 -6.174 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -3.932 -3.793 -7.259 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -2.670 -4.935 -7.777 1.00 0.00 H new ATOM 0 HD11 ILE A 62 1.162 -2.494 -6.601 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -0.033 -1.211 -6.910 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.353 -2.445 -5.668 1.00 0.00 H new ATOM 956 N VAL A 63 -4.873 -2.887 -9.421 1.00 0.00 N ATOM 957 CA VAL A 63 -6.256 -2.440 -9.443 1.00 0.00 C ATOM 958 C VAL A 63 -7.164 -3.488 -8.804 1.00 0.00 C ATOM 959 O VAL A 63 -6.731 -4.605 -8.522 1.00 0.00 O ATOM 960 CB VAL A 63 -6.738 -2.168 -10.880 1.00 0.00 C ATOM 961 CG1 VAL A 63 -5.995 -0.985 -11.482 1.00 0.00 C ATOM 962 CG2 VAL A 63 -6.566 -3.411 -11.743 1.00 0.00 C ATOM 0 H VAL A 63 -4.756 -3.897 -9.505 1.00 0.00 H new ATOM 0 HA VAL A 63 -6.306 -1.511 -8.875 1.00 0.00 H new ATOM 0 HB VAL A 63 -7.799 -1.919 -10.846 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -6.351 -0.810 -12.497 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -6.174 -0.096 -10.877 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -4.927 -1.199 -11.504 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -6.911 -3.202 -12.755 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -5.513 -3.693 -11.770 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -7.150 -4.230 -11.322 1.00 0.00 H new ATOM 972 N ALA A 64 -8.426 -3.129 -8.585 1.00 0.00 N ATOM 973 CA ALA A 64 -9.393 -4.051 -7.989 1.00 0.00 C ATOM 974 C ALA A 64 -9.115 -4.265 -6.497 1.00 0.00 C ATOM 975 O ALA A 64 -8.511 -3.415 -5.844 1.00 0.00 O ATOM 976 CB ALA A 64 -9.377 -5.377 -8.746 1.00 0.00 C ATOM 0 H ALA A 64 -8.804 -2.209 -8.810 1.00 0.00 H new ATOM 0 HA ALA A 64 -10.387 -3.611 -8.071 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -10.099 -6.060 -8.298 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -9.640 -5.203 -9.789 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -8.380 -5.815 -8.691 1.00 0.00 H new ATOM 982 N GLY A 65 -9.560 -5.405 -5.969 1.00 0.00 N ATOM 983 CA GLY A 65 -9.360 -5.720 -4.570 1.00 0.00 C ATOM 984 C GLY A 65 -8.035 -6.403 -4.320 1.00 0.00 C ATOM 985 O GLY A 65 -7.959 -7.631 -4.256 1.00 0.00 O ATOM 0 H GLY A 65 -10.061 -6.121 -6.496 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -9.410 -4.803 -3.983 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -10.169 -6.364 -4.226 1.00 0.00 H new ATOM 989 N GLN A 66 -6.986 -5.604 -4.203 1.00 0.00 N ATOM 990 CA GLN A 66 -5.640 -6.130 -3.985 1.00 0.00 C ATOM 991 C GLN A 66 -5.028 -5.589 -2.696 1.00 0.00 C ATOM 992 O GLN A 66 -5.487 -4.587 -2.149 1.00 0.00 O ATOM 993 CB GLN A 66 -4.747 -5.770 -5.170 1.00 0.00 C ATOM 994 CG GLN A 66 -5.374 -6.078 -6.519 1.00 0.00 C ATOM 995 CD GLN A 66 -4.952 -7.429 -7.060 1.00 0.00 C ATOM 996 OE1 GLN A 66 -5.467 -8.467 -6.645 1.00 0.00 O ATOM 997 NE2 GLN A 66 -4.006 -7.422 -7.992 1.00 0.00 N ATOM 0 H GLN A 66 -7.037 -4.587 -4.255 1.00 0.00 H new ATOM 0 HA GLN A 66 -5.714 -7.214 -3.893 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -4.507 -4.708 -5.124 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -3.806 -6.313 -5.083 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -6.460 -6.050 -6.426 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -5.095 -5.302 -7.231 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -3.607 -6.538 -8.307 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -3.679 -8.301 -8.393 1.00 0.00 H new ATOM 1006 N THR A 67 -4.002 -6.283 -2.202 1.00 0.00 N ATOM 1007 CA THR A 67 -3.338 -5.900 -0.955 1.00 0.00 C ATOM 1008 C THR A 67 -1.874 -5.503 -1.167 1.00 0.00 C ATOM 1009 O THR A 67 -1.195 -6.021 -2.052 1.00 0.00 O ATOM 1010 CB THR A 67 -3.409 -7.063 0.039 1.00 0.00 C ATOM 1011 OG1 THR A 67 -4.516 -7.904 -0.245 1.00 0.00 O ATOM 1012 CG2 THR A 67 -3.531 -6.616 1.478 1.00 0.00 C ATOM 0 H THR A 67 -3.612 -7.114 -2.647 1.00 0.00 H new ATOM 0 HA THR A 67 -3.860 -5.027 -0.564 1.00 0.00 H new ATOM 0 HB THR A 67 -2.467 -7.598 -0.080 1.00 0.00 H new ATOM 0 HG1 THR A 67 -4.541 -8.641 0.401 1.00 0.00 H new ATOM 0 HG21 THR A 67 -3.576 -7.490 2.128 1.00 0.00 H new ATOM 0 HG22 THR A 67 -2.666 -6.010 1.745 1.00 0.00 H new ATOM 0 HG23 THR A 67 -4.439 -6.026 1.600 1.00 0.00 H new ATOM 1020 N VAL A 68 -1.394 -4.586 -0.327 1.00 0.00 N ATOM 1021 CA VAL A 68 -0.012 -4.117 -0.388 1.00 0.00 C ATOM 1022 C VAL A 68 0.649 -4.281 0.985 1.00 0.00 C ATOM 1023 O VAL A 68 -0.002 -4.099 2.014 1.00 0.00 O ATOM 1024 CB VAL A 68 0.047 -2.641 -0.873 1.00 0.00 C ATOM 1025 CG1 VAL A 68 0.806 -1.735 0.090 1.00 0.00 C ATOM 1026 CG2 VAL A 68 0.655 -2.568 -2.264 1.00 0.00 C ATOM 0 H VAL A 68 -1.949 -4.151 0.410 1.00 0.00 H new ATOM 0 HA VAL A 68 0.539 -4.719 -1.111 1.00 0.00 H new ATOM 0 HB VAL A 68 -0.979 -2.275 -0.907 1.00 0.00 H new ATOM 0 HG11 VAL A 68 0.815 -0.717 -0.299 1.00 0.00 H new ATOM 0 HG12 VAL A 68 0.316 -1.747 1.063 1.00 0.00 H new ATOM 0 HG13 VAL A 68 1.830 -2.093 0.195 1.00 0.00 H new ATOM 0 HG21 VAL A 68 0.690 -1.529 -2.592 1.00 0.00 H new ATOM 0 HG22 VAL A 68 1.666 -2.976 -2.241 1.00 0.00 H new ATOM 0 HG23 VAL A 68 0.046 -3.147 -2.958 1.00 0.00 H new ATOM 1036 N SER A 69 1.930 -4.654 1.005 1.00 0.00 N ATOM 1037 CA SER A 69 2.630 -4.866 2.275 1.00 0.00 C ATOM 1038 C SER A 69 4.054 -4.302 2.280 1.00 0.00 C ATOM 1039 O SER A 69 4.836 -4.527 1.350 1.00 0.00 O ATOM 1040 CB SER A 69 2.673 -6.361 2.598 1.00 0.00 C ATOM 1041 OG SER A 69 1.388 -6.947 2.480 1.00 0.00 O ATOM 0 H SER A 69 2.497 -4.814 0.172 1.00 0.00 H new ATOM 0 HA SER A 69 2.069 -4.324 3.037 1.00 0.00 H new ATOM 0 HB2 SER A 69 3.368 -6.862 1.924 1.00 0.00 H new ATOM 0 HB3 SER A 69 3.051 -6.507 3.610 1.00 0.00 H new ATOM 0 HG SER A 69 1.444 -7.903 2.690 1.00 0.00 H new ATOM 1047 N PHE A 70 4.376 -3.587 3.366 1.00 0.00 N ATOM 1048 CA PHE A 70 5.700 -2.990 3.567 1.00 0.00 C ATOM 1049 C PHE A 70 6.083 -3.047 5.046 1.00 0.00 C ATOM 1050 O PHE A 70 5.368 -2.519 5.894 1.00 0.00 O ATOM 1051 CB PHE A 70 5.723 -1.529 3.098 1.00 0.00 C ATOM 1052 CG PHE A 70 6.994 -0.791 3.446 1.00 0.00 C ATOM 1053 CD1 PHE A 70 8.175 -1.479 3.675 1.00 0.00 C ATOM 1054 CD2 PHE A 70 7.006 0.590 3.541 1.00 0.00 C ATOM 1055 CE1 PHE A 70 9.337 -0.811 3.993 1.00 0.00 C ATOM 1056 CE2 PHE A 70 8.168 1.266 3.860 1.00 0.00 C ATOM 1057 CZ PHE A 70 9.337 0.565 4.084 1.00 0.00 C ATOM 0 H PHE A 70 3.724 -3.407 4.130 1.00 0.00 H new ATOM 0 HA PHE A 70 6.417 -3.561 2.977 1.00 0.00 H new ATOM 0 HB2 PHE A 70 5.585 -1.503 2.017 1.00 0.00 H new ATOM 0 HB3 PHE A 70 4.877 -1.003 3.540 1.00 0.00 H new ATOM 0 HD1 PHE A 70 8.185 -2.557 3.603 1.00 0.00 H new ATOM 0 HD2 PHE A 70 6.097 1.145 3.364 1.00 0.00 H new ATOM 0 HE1 PHE A 70 10.247 -1.364 4.171 1.00 0.00 H new ATOM 0 HE2 PHE A 70 8.162 2.343 3.934 1.00 0.00 H new ATOM 0 HZ PHE A 70 10.247 1.092 4.329 1.00 0.00 H new ATOM 1067 N ALA A 71 7.218 -3.680 5.347 1.00 0.00 N ATOM 1068 CA ALA A 71 7.698 -3.796 6.721 1.00 0.00 C ATOM 1069 C ALA A 71 6.584 -4.242 7.669 1.00 0.00 C ATOM 1070 O ALA A 71 6.433 -5.431 7.946 1.00 0.00 O ATOM 1071 CB ALA A 71 8.297 -2.473 7.181 1.00 0.00 C ATOM 0 H ALA A 71 7.822 -4.121 4.654 1.00 0.00 H new ATOM 0 HA ALA A 71 8.473 -4.562 6.743 1.00 0.00 H new ATOM 0 HB1 ALA A 71 8.652 -2.571 8.207 1.00 0.00 H new ATOM 0 HB2 ALA A 71 9.132 -2.206 6.533 1.00 0.00 H new ATOM 0 HB3 ALA A 71 7.537 -1.693 7.133 1.00 0.00 H new ATOM 1077 N GLY A 72 5.807 -3.280 8.159 1.00 0.00 N ATOM 1078 CA GLY A 72 4.718 -3.591 9.063 1.00 0.00 C ATOM 1079 C GLY A 72 3.393 -3.011 8.616 1.00 0.00 C ATOM 1080 O GLY A 72 2.363 -3.258 9.243 1.00 0.00 O ATOM 0 H GLY A 72 5.914 -2.289 7.944 1.00 0.00 H new ATOM 0 HA2 GLY A 72 4.623 -4.673 9.150 1.00 0.00 H new ATOM 0 HA3 GLY A 72 4.958 -3.211 10.056 1.00 0.00 H new ATOM 1084 N HIS A 73 3.408 -2.228 7.542 1.00 0.00 N ATOM 1085 CA HIS A 73 2.188 -1.613 7.045 1.00 0.00 C ATOM 1086 C HIS A 73 1.525 -2.480 5.977 1.00 0.00 C ATOM 1087 O HIS A 73 2.032 -2.607 4.863 1.00 0.00 O ATOM 1088 CB HIS A 73 2.480 -0.223 6.472 1.00 0.00 C ATOM 1089 CG HIS A 73 3.432 0.587 7.295 1.00 0.00 C ATOM 1090 ND1 HIS A 73 3.736 0.292 8.606 1.00 0.00 N ATOM 1091 CD2 HIS A 73 4.154 1.692 6.985 1.00 0.00 C ATOM 1092 CE1 HIS A 73 4.600 1.176 9.070 1.00 0.00 C ATOM 1093 NE2 HIS A 73 4.870 2.036 8.105 1.00 0.00 N ATOM 0 H HIS A 73 4.246 -2.007 7.004 1.00 0.00 H new ATOM 0 HA HIS A 73 1.503 -1.517 7.887 1.00 0.00 H new ATOM 0 HB2 HIS A 73 2.888 -0.334 5.467 1.00 0.00 H new ATOM 0 HB3 HIS A 73 1.542 0.324 6.377 1.00 0.00 H new ATOM 0 HD2 HIS A 73 4.164 2.206 6.035 1.00 0.00 H new ATOM 0 HE1 HIS A 73 5.015 1.193 10.067 1.00 0.00 H new ATOM 0 HE2 HIS A 73 5.508 2.828 8.180 1.00 0.00 H new ATOM 1101 N SER A 74 0.382 -3.063 6.322 1.00 0.00 N ATOM 1102 CA SER A 74 -0.363 -3.904 5.391 1.00 0.00 C ATOM 1103 C SER A 74 -1.762 -3.339 5.172 1.00 0.00 C ATOM 1104 O SER A 74 -2.503 -3.111 6.128 1.00 0.00 O ATOM 1105 CB SER A 74 -0.446 -5.337 5.917 1.00 0.00 C ATOM 1106 OG SER A 74 0.790 -6.012 5.754 1.00 0.00 O ATOM 0 H SER A 74 -0.050 -2.969 7.241 1.00 0.00 H new ATOM 0 HA SER A 74 0.162 -3.915 4.436 1.00 0.00 H new ATOM 0 HB2 SER A 74 -0.721 -5.325 6.972 1.00 0.00 H new ATOM 0 HB3 SER A 74 -1.231 -5.877 5.388 1.00 0.00 H new ATOM 0 HG SER A 74 0.712 -6.926 6.099 1.00 0.00 H new ATOM 1112 N VAL A 75 -2.118 -3.102 3.912 1.00 0.00 N ATOM 1113 CA VAL A 75 -3.428 -2.547 3.586 1.00 0.00 C ATOM 1114 C VAL A 75 -3.942 -3.071 2.248 1.00 0.00 C ATOM 1115 O VAL A 75 -3.170 -3.563 1.425 1.00 0.00 O ATOM 1116 CB VAL A 75 -3.371 -1.008 3.534 1.00 0.00 C ATOM 1117 CG1 VAL A 75 -4.747 -0.417 3.273 1.00 0.00 C ATOM 1118 CG2 VAL A 75 -2.783 -0.455 4.823 1.00 0.00 C ATOM 0 H VAL A 75 -1.522 -3.284 3.105 1.00 0.00 H new ATOM 0 HA VAL A 75 -4.113 -2.862 4.373 1.00 0.00 H new ATOM 0 HB VAL A 75 -2.723 -0.721 2.706 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -4.676 0.670 3.242 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -5.125 -0.784 2.319 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -5.428 -0.713 4.071 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -2.750 0.633 4.770 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -3.404 -0.759 5.666 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -1.773 -0.843 4.958 1.00 0.00 H new ATOM 1128 N GLN A 76 -5.252 -2.961 2.041 1.00 0.00 N ATOM 1129 CA GLN A 76 -5.873 -3.425 0.807 1.00 0.00 C ATOM 1130 C GLN A 76 -6.406 -2.252 -0.010 1.00 0.00 C ATOM 1131 O GLN A 76 -6.544 -1.137 0.495 1.00 0.00 O ATOM 1132 CB GLN A 76 -7.007 -4.405 1.121 1.00 0.00 C ATOM 1133 CG GLN A 76 -6.523 -5.739 1.667 1.00 0.00 C ATOM 1134 CD GLN A 76 -7.597 -6.481 2.438 1.00 0.00 C ATOM 1135 OE1 GLN A 76 -7.729 -6.322 3.652 1.00 0.00 O ATOM 1136 NE2 GLN A 76 -8.369 -7.304 1.737 1.00 0.00 N ATOM 0 H GLN A 76 -5.903 -2.554 2.713 1.00 0.00 H new ATOM 0 HA GLN A 76 -5.113 -3.937 0.216 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -7.681 -3.948 1.846 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -7.586 -4.581 0.214 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -6.179 -6.362 0.841 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -5.665 -5.571 2.318 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -8.226 -7.406 0.732 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -9.105 -7.834 2.203 1.00 0.00 H new ATOM 1145 N VAL A 77 -6.690 -2.513 -1.283 1.00 0.00 N ATOM 1146 CA VAL A 77 -7.193 -1.489 -2.193 1.00 0.00 C ATOM 1147 C VAL A 77 -8.327 -2.042 -3.052 1.00 0.00 C ATOM 1148 O VAL A 77 -8.317 -3.216 -3.408 1.00 0.00 O ATOM 1149 CB VAL A 77 -6.072 -0.980 -3.126 1.00 0.00 C ATOM 1150 CG1 VAL A 77 -6.527 0.246 -3.904 1.00 0.00 C ATOM 1151 CG2 VAL A 77 -4.802 -0.678 -2.341 1.00 0.00 C ATOM 0 H VAL A 77 -6.579 -3.433 -1.710 1.00 0.00 H new ATOM 0 HA VAL A 77 -7.561 -0.664 -1.583 1.00 0.00 H new ATOM 0 HB VAL A 77 -5.848 -1.772 -3.840 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -5.720 0.585 -4.553 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -7.397 -0.009 -4.509 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -6.791 1.042 -3.207 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -4.029 -0.322 -3.022 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -5.009 0.089 -1.594 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -4.457 -1.585 -1.844 1.00 0.00 H new ATOM 1161 N VAL A 78 -9.291 -1.190 -3.399 1.00 0.00 N ATOM 1162 CA VAL A 78 -10.413 -1.606 -4.238 1.00 0.00 C ATOM 1163 C VAL A 78 -10.672 -0.580 -5.336 1.00 0.00 C ATOM 1164 O VAL A 78 -10.001 0.448 -5.406 1.00 0.00 O ATOM 1165 CB VAL A 78 -11.706 -1.802 -3.422 1.00 0.00 C ATOM 1166 CG1 VAL A 78 -11.586 -3.011 -2.507 1.00 0.00 C ATOM 1167 CG2 VAL A 78 -12.035 -0.549 -2.626 1.00 0.00 C ATOM 0 H VAL A 78 -9.317 -0.211 -3.113 1.00 0.00 H new ATOM 0 HA VAL A 78 -10.135 -2.563 -4.680 1.00 0.00 H new ATOM 0 HB VAL A 78 -12.525 -1.985 -4.118 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -12.509 -3.131 -1.940 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -11.409 -3.904 -3.106 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -10.754 -2.865 -1.818 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -12.951 -0.709 -2.058 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -11.217 -0.328 -1.941 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -12.173 0.290 -3.308 1.00 0.00 H new ATOM 1177 N ALA A 79 -11.646 -0.865 -6.194 1.00 0.00 N ATOM 1178 CA ALA A 79 -11.988 0.038 -7.288 1.00 0.00 C ATOM 1179 C ALA A 79 -13.396 -0.233 -7.803 1.00 0.00 C ATOM 1180 O ALA A 79 -14.152 -0.949 -7.113 1.00 0.00 O ATOM 1181 CB ALA A 79 -10.977 -0.092 -8.418 1.00 0.00 C ATOM 1182 OXT ALA A 79 -13.733 0.273 -8.895 1.00 0.00 O ATOM 0 H ALA A 79 -12.212 -1.713 -6.153 1.00 0.00 H new ATOM 0 HA ALA A 79 -11.959 1.058 -6.905 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -11.246 0.588 -9.227 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -9.983 0.159 -8.048 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -10.977 -1.116 -8.790 1.00 0.00 H new TER 1188 ALA A 79