USER MOD reduce.3.24.130724 H: found=0, std=0, add=575, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 573 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 71 ASN : amide:sc= -0.959 K(o=-1,f=-5.1!) USER MOD Set 1.2: A 74 SER OG : rot 180:sc= -0.0634 USER MOD Set 2.1: A 51 THR OG1 : rot 13:sc= -0.963 USER MOD Set 2.2: A 52 GLN : amide:sc= -0.273 K(o=-1.2,f=-10!) USER MOD Single : A 1 GLY N :NH3+ 175:sc= 0 (180deg=-0.0149) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0325 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.128 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 173:sc= 0.00663 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 71:sc= 0.58 USER MOD Single : A 22 THR OG1 : rot -171:sc= 0.699 USER MOD Single : A 24 GLN : amide:sc= -0.57 X(o=-0.57,f=-0.42) USER MOD Single : A 26 THR OG1 : rot 80:sc= 1.26 USER MOD Single : A 35 MET CE :methyl -162:sc= -0.0154 (180deg=-0.541) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot -86:sc= 1.19 USER MOD Single : A 46 HIS : no HD1:sc= -1.78 K(o=-1.8,f=-0.88) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 55 CYS SG : rot 110:sc= -2.35! USER MOD Single : A 58 HIS : no HE2:sc= -18.6! C(o=-19!,f=-15!) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 29.192 18.641 -0.625 1.00 0.00 N ATOM 2 CA GLY A 1 28.536 18.347 0.635 1.00 0.00 C ATOM 3 C GLY A 1 27.039 18.578 0.578 1.00 0.00 C ATOM 4 O GLY A 1 26.456 19.144 1.502 1.00 0.00 O ATOM 0 H1 GLY A 1 30.222 18.549 -0.510 1.00 0.00 H new ATOM 0 H2 GLY A 1 28.864 17.973 -1.351 1.00 0.00 H new ATOM 0 H3 GLY A 1 28.962 19.612 -0.918 1.00 0.00 H new ATOM 0 HA2 GLY A 1 28.730 17.310 0.909 1.00 0.00 H new ATOM 0 HA3 GLY A 1 28.967 18.970 1.419 1.00 0.00 H new ATOM 8 N SER A 2 26.416 18.141 -0.512 1.00 0.00 N ATOM 9 CA SER A 2 24.978 18.309 -0.689 1.00 0.00 C ATOM 10 C SER A 2 24.282 16.955 -0.791 1.00 0.00 C ATOM 11 O SER A 2 24.913 15.940 -1.085 1.00 0.00 O ATOM 12 CB SER A 2 24.691 19.138 -1.942 1.00 0.00 C ATOM 13 OG SER A 2 23.298 19.329 -2.119 1.00 0.00 O ATOM 0 H SER A 2 26.884 17.668 -1.285 1.00 0.00 H new ATOM 0 HA SER A 2 24.588 18.834 0.183 1.00 0.00 H new ATOM 0 HB2 SER A 2 25.187 20.106 -1.863 1.00 0.00 H new ATOM 0 HB3 SER A 2 25.107 18.637 -2.816 1.00 0.00 H new ATOM 0 HG SER A 2 23.141 19.863 -2.925 1.00 0.00 H new ATOM 19 N SER A 3 22.976 16.949 -0.544 1.00 0.00 N ATOM 20 CA SER A 3 22.193 15.720 -0.603 1.00 0.00 C ATOM 21 C SER A 3 22.837 14.624 0.239 1.00 0.00 C ATOM 22 O SER A 3 22.898 13.465 -0.170 1.00 0.00 O ATOM 23 CB SER A 3 22.052 15.249 -2.052 1.00 0.00 C ATOM 24 OG SER A 3 20.994 15.925 -2.708 1.00 0.00 O ATOM 0 H SER A 3 22.438 17.781 -0.301 1.00 0.00 H new ATOM 0 HA SER A 3 21.203 15.930 -0.198 1.00 0.00 H new ATOM 0 HB2 SER A 3 22.986 15.423 -2.587 1.00 0.00 H new ATOM 0 HB3 SER A 3 21.869 14.175 -2.072 1.00 0.00 H new ATOM 0 HG SER A 3 20.926 15.607 -3.633 1.00 0.00 H new ATOM 30 N GLY A 4 23.318 14.999 1.421 1.00 0.00 N ATOM 31 CA GLY A 4 23.952 14.038 2.303 1.00 0.00 C ATOM 32 C GLY A 4 22.975 13.012 2.841 1.00 0.00 C ATOM 33 O GLY A 4 22.888 11.897 2.326 1.00 0.00 O ATOM 0 H GLY A 4 23.279 15.952 1.783 1.00 0.00 H new ATOM 0 HA2 GLY A 4 24.751 13.527 1.765 1.00 0.00 H new ATOM 0 HA3 GLY A 4 24.416 14.565 3.137 1.00 0.00 H new ATOM 37 N SER A 5 22.237 13.387 3.881 1.00 0.00 N ATOM 38 CA SER A 5 21.265 12.489 4.493 1.00 0.00 C ATOM 39 C SER A 5 20.109 12.208 3.537 1.00 0.00 C ATOM 40 O SER A 5 19.788 11.053 3.257 1.00 0.00 O ATOM 41 CB SER A 5 20.730 13.092 5.794 1.00 0.00 C ATOM 42 OG SER A 5 20.084 12.108 6.583 1.00 0.00 O ATOM 0 H SER A 5 22.294 14.307 4.317 1.00 0.00 H new ATOM 0 HA SER A 5 21.767 11.548 4.717 1.00 0.00 H new ATOM 0 HB2 SER A 5 21.551 13.534 6.358 1.00 0.00 H new ATOM 0 HB3 SER A 5 20.031 13.896 5.565 1.00 0.00 H new ATOM 0 HG SER A 5 19.752 12.517 7.409 1.00 0.00 H new ATOM 48 N SER A 6 19.488 13.272 3.040 1.00 0.00 N ATOM 49 CA SER A 6 18.365 13.141 2.118 1.00 0.00 C ATOM 50 C SER A 6 17.364 12.107 2.625 1.00 0.00 C ATOM 51 O SER A 6 16.837 11.307 1.854 1.00 0.00 O ATOM 52 CB SER A 6 18.864 12.745 0.727 1.00 0.00 C ATOM 53 OG SER A 6 19.388 13.866 0.036 1.00 0.00 O ATOM 0 H SER A 6 19.743 14.235 3.260 1.00 0.00 H new ATOM 0 HA SER A 6 17.863 14.107 2.055 1.00 0.00 H new ATOM 0 HB2 SER A 6 19.633 11.978 0.818 1.00 0.00 H new ATOM 0 HB3 SER A 6 18.045 12.310 0.153 1.00 0.00 H new ATOM 0 HG SER A 6 19.702 13.587 -0.849 1.00 0.00 H new ATOM 59 N GLY A 7 17.108 12.131 3.930 1.00 0.00 N ATOM 60 CA GLY A 7 16.171 11.192 4.519 1.00 0.00 C ATOM 61 C GLY A 7 14.775 11.328 3.944 1.00 0.00 C ATOM 62 O GLY A 7 13.989 12.164 4.392 1.00 0.00 O ATOM 0 H GLY A 7 17.533 12.784 4.589 1.00 0.00 H new ATOM 0 HA2 GLY A 7 16.530 10.176 4.357 1.00 0.00 H new ATOM 0 HA3 GLY A 7 16.133 11.349 5.597 1.00 0.00 H new ATOM 66 N THR A 8 14.464 10.504 2.948 1.00 0.00 N ATOM 67 CA THR A 8 13.154 10.538 2.309 1.00 0.00 C ATOM 68 C THR A 8 12.588 9.133 2.142 1.00 0.00 C ATOM 69 O THR A 8 13.310 8.142 2.269 1.00 0.00 O ATOM 70 CB THR A 8 13.219 11.221 0.930 1.00 0.00 C ATOM 71 OG1 THR A 8 11.898 11.394 0.407 1.00 0.00 O ATOM 72 CG2 THR A 8 14.052 10.399 -0.042 1.00 0.00 C ATOM 0 H THR A 8 15.101 9.805 2.566 1.00 0.00 H new ATOM 0 HA THR A 8 12.499 11.116 2.961 1.00 0.00 H new ATOM 0 HB THR A 8 13.691 12.196 1.053 1.00 0.00 H new ATOM 0 HG1 THR A 8 11.948 11.830 -0.469 1.00 0.00 H new ATOM 0 HG21 THR A 8 14.084 10.901 -1.009 1.00 0.00 H new ATOM 0 HG22 THR A 8 15.065 10.294 0.346 1.00 0.00 H new ATOM 0 HG23 THR A 8 13.605 9.412 -0.160 1.00 0.00 H new ATOM 80 N LEU A 9 11.294 9.052 1.855 1.00 0.00 N ATOM 81 CA LEU A 9 10.630 7.766 1.668 1.00 0.00 C ATOM 82 C LEU A 9 10.735 7.305 0.218 1.00 0.00 C ATOM 83 O LEU A 9 10.072 7.847 -0.665 1.00 0.00 O ATOM 84 CB LEU A 9 9.160 7.864 2.080 1.00 0.00 C ATOM 85 CG LEU A 9 8.889 7.977 3.580 1.00 0.00 C ATOM 86 CD1 LEU A 9 7.525 8.600 3.831 1.00 0.00 C ATOM 87 CD2 LEU A 9 8.983 6.610 4.243 1.00 0.00 C ATOM 0 H LEU A 9 10.683 9.861 1.747 1.00 0.00 H new ATOM 0 HA LEU A 9 11.129 7.032 2.300 1.00 0.00 H new ATOM 0 HB2 LEU A 9 8.722 8.731 1.586 1.00 0.00 H new ATOM 0 HB3 LEU A 9 8.638 6.985 1.702 1.00 0.00 H new ATOM 0 HG LEU A 9 9.648 8.625 4.019 1.00 0.00 H new ATOM 0 HD11 LEU A 9 7.350 8.672 4.904 1.00 0.00 H new ATOM 0 HD12 LEU A 9 7.493 9.596 3.390 1.00 0.00 H new ATOM 0 HD13 LEU A 9 6.752 7.979 3.378 1.00 0.00 H new ATOM 0 HD21 LEU A 9 8.787 6.709 5.311 1.00 0.00 H new ATOM 0 HD22 LEU A 9 8.247 5.939 3.800 1.00 0.00 H new ATOM 0 HD23 LEU A 9 9.982 6.201 4.094 1.00 0.00 H new ATOM 99 N ALA A 10 11.570 6.299 -0.019 1.00 0.00 N ATOM 100 CA ALA A 10 11.758 5.761 -1.361 1.00 0.00 C ATOM 101 C ALA A 10 10.588 4.871 -1.764 1.00 0.00 C ATOM 102 O ALA A 10 10.171 3.994 -1.008 1.00 0.00 O ATOM 103 CB ALA A 10 13.065 4.986 -1.441 1.00 0.00 C ATOM 0 H ALA A 10 12.127 5.840 0.701 1.00 0.00 H new ATOM 0 HA ALA A 10 11.801 6.598 -2.058 1.00 0.00 H new ATOM 0 HB1 ALA A 10 13.192 4.590 -2.449 1.00 0.00 H new ATOM 0 HB2 ALA A 10 13.897 5.650 -1.204 1.00 0.00 H new ATOM 0 HB3 ALA A 10 13.044 4.162 -0.727 1.00 0.00 H new ATOM 109 N LYS A 11 10.060 5.103 -2.961 1.00 0.00 N ATOM 110 CA LYS A 11 8.937 4.322 -3.467 1.00 0.00 C ATOM 111 C LYS A 11 9.069 4.089 -4.969 1.00 0.00 C ATOM 112 O LYS A 11 9.059 5.035 -5.756 1.00 0.00 O ATOM 113 CB LYS A 11 7.617 5.034 -3.165 1.00 0.00 C ATOM 114 CG LYS A 11 6.399 4.320 -3.724 1.00 0.00 C ATOM 115 CD LYS A 11 5.830 3.324 -2.728 1.00 0.00 C ATOM 116 CE LYS A 11 6.453 1.947 -2.898 1.00 0.00 C ATOM 117 NZ LYS A 11 6.502 1.197 -1.612 1.00 0.00 N ATOM 0 H LYS A 11 10.392 5.826 -3.599 1.00 0.00 H new ATOM 0 HA LYS A 11 8.944 3.355 -2.965 1.00 0.00 H new ATOM 0 HB2 LYS A 11 7.506 5.133 -2.085 1.00 0.00 H new ATOM 0 HB3 LYS A 11 7.656 6.043 -3.575 1.00 0.00 H new ATOM 0 HG2 LYS A 11 5.635 5.052 -3.985 1.00 0.00 H new ATOM 0 HG3 LYS A 11 6.670 3.802 -4.644 1.00 0.00 H new ATOM 0 HD2 LYS A 11 6.006 3.681 -1.713 1.00 0.00 H new ATOM 0 HD3 LYS A 11 4.750 3.254 -2.858 1.00 0.00 H new ATOM 0 HE2 LYS A 11 5.880 1.377 -3.629 1.00 0.00 H new ATOM 0 HE3 LYS A 11 7.462 2.052 -3.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 6.933 0.264 -1.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 7.070 1.728 -0.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 5.537 1.074 -1.245 1.00 0.00 H new ATOM 131 N SER A 12 9.191 2.824 -5.359 1.00 0.00 N ATOM 132 CA SER A 12 9.326 2.468 -6.766 1.00 0.00 C ATOM 133 C SER A 12 8.512 1.219 -7.091 1.00 0.00 C ATOM 134 O SER A 12 8.160 0.444 -6.202 1.00 0.00 O ATOM 135 CB SER A 12 10.798 2.237 -7.116 1.00 0.00 C ATOM 136 OG SER A 12 11.058 2.565 -8.469 1.00 0.00 O ATOM 0 H SER A 12 9.199 2.029 -4.720 1.00 0.00 H new ATOM 0 HA SER A 12 8.943 3.295 -7.363 1.00 0.00 H new ATOM 0 HB2 SER A 12 11.429 2.841 -6.464 1.00 0.00 H new ATOM 0 HB3 SER A 12 11.059 1.194 -6.935 1.00 0.00 H new ATOM 0 HG SER A 12 12.023 2.522 -8.636 1.00 0.00 H new ATOM 142 N LYS A 13 8.216 1.031 -8.373 1.00 0.00 N ATOM 143 CA LYS A 13 7.445 -0.124 -8.819 1.00 0.00 C ATOM 144 C LYS A 13 8.227 -1.416 -8.607 1.00 0.00 C ATOM 145 O LYS A 13 9.382 -1.528 -9.016 1.00 0.00 O ATOM 146 CB LYS A 13 7.075 0.024 -10.296 1.00 0.00 C ATOM 147 CG LYS A 13 6.193 -1.097 -10.818 1.00 0.00 C ATOM 148 CD LYS A 13 6.053 -1.039 -12.330 1.00 0.00 C ATOM 149 CE LYS A 13 5.076 0.045 -12.758 1.00 0.00 C ATOM 150 NZ LYS A 13 4.636 -0.131 -14.169 1.00 0.00 N ATOM 0 H LYS A 13 8.498 1.664 -9.121 1.00 0.00 H new ATOM 0 HA LYS A 13 6.532 -0.171 -8.225 1.00 0.00 H new ATOM 0 HB2 LYS A 13 6.562 0.975 -10.440 1.00 0.00 H new ATOM 0 HB3 LYS A 13 7.989 0.062 -10.889 1.00 0.00 H new ATOM 0 HG2 LYS A 13 6.616 -2.059 -10.528 1.00 0.00 H new ATOM 0 HG3 LYS A 13 5.207 -1.030 -10.358 1.00 0.00 H new ATOM 0 HD2 LYS A 13 7.028 -0.850 -12.780 1.00 0.00 H new ATOM 0 HD3 LYS A 13 5.712 -2.005 -12.702 1.00 0.00 H new ATOM 0 HE2 LYS A 13 4.206 0.029 -12.102 1.00 0.00 H new ATOM 0 HE3 LYS A 13 5.545 1.022 -12.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 3.971 0.627 -14.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 5.463 -0.091 -14.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 4.166 -1.053 -14.274 1.00 0.00 H new ATOM 164 N GLY A 14 7.590 -2.390 -7.965 1.00 0.00 N ATOM 165 CA GLY A 14 8.241 -3.662 -7.712 1.00 0.00 C ATOM 166 C GLY A 14 7.799 -4.290 -6.405 1.00 0.00 C ATOM 167 O GLY A 14 8.617 -4.824 -5.657 1.00 0.00 O ATOM 0 H GLY A 14 6.634 -2.321 -7.615 1.00 0.00 H new ATOM 0 HA2 GLY A 14 8.025 -4.347 -8.532 1.00 0.00 H new ATOM 0 HA3 GLY A 14 9.321 -3.517 -7.695 1.00 0.00 H new ATOM 171 N ALA A 15 6.501 -4.224 -6.128 1.00 0.00 N ATOM 172 CA ALA A 15 5.951 -4.791 -4.903 1.00 0.00 C ATOM 173 C ALA A 15 5.847 -6.309 -4.999 1.00 0.00 C ATOM 174 O ALA A 15 4.880 -6.842 -5.543 1.00 0.00 O ATOM 175 CB ALA A 15 4.588 -4.184 -4.606 1.00 0.00 C ATOM 0 H ALA A 15 5.810 -3.783 -6.736 1.00 0.00 H new ATOM 0 HA ALA A 15 6.629 -4.551 -4.084 1.00 0.00 H new ATOM 0 HB1 ALA A 15 4.189 -4.617 -3.688 1.00 0.00 H new ATOM 0 HB2 ALA A 15 4.689 -3.105 -4.485 1.00 0.00 H new ATOM 0 HB3 ALA A 15 3.908 -4.394 -5.432 1.00 0.00 H new ATOM 181 N SER A 16 6.850 -7.002 -4.467 1.00 0.00 N ATOM 182 CA SER A 16 6.873 -8.459 -4.497 1.00 0.00 C ATOM 183 C SER A 16 6.683 -9.034 -3.097 1.00 0.00 C ATOM 184 O SER A 16 7.369 -9.977 -2.703 1.00 0.00 O ATOM 185 CB SER A 16 8.192 -8.957 -5.091 1.00 0.00 C ATOM 186 OG SER A 16 9.251 -8.831 -4.158 1.00 0.00 O ATOM 0 H SER A 16 7.657 -6.577 -4.010 1.00 0.00 H new ATOM 0 HA SER A 16 6.049 -8.798 -5.125 1.00 0.00 H new ATOM 0 HB2 SER A 16 8.089 -10.000 -5.390 1.00 0.00 H new ATOM 0 HB3 SER A 16 8.427 -8.389 -5.991 1.00 0.00 H new ATOM 0 HG SER A 16 9.134 -9.487 -3.440 1.00 0.00 H new ATOM 192 N ALA A 17 5.745 -8.460 -2.351 1.00 0.00 N ATOM 193 CA ALA A 17 5.462 -8.915 -0.995 1.00 0.00 C ATOM 194 C ALA A 17 4.871 -10.321 -1.001 1.00 0.00 C ATOM 195 O ALA A 17 4.739 -10.945 -2.053 1.00 0.00 O ATOM 196 CB ALA A 17 4.518 -7.946 -0.299 1.00 0.00 C ATOM 0 H ALA A 17 5.168 -7.679 -2.663 1.00 0.00 H new ATOM 0 HA ALA A 17 6.402 -8.946 -0.445 1.00 0.00 H new ATOM 0 HB1 ALA A 17 4.316 -8.298 0.712 1.00 0.00 H new ATOM 0 HB2 ALA A 17 4.978 -6.959 -0.254 1.00 0.00 H new ATOM 0 HB3 ALA A 17 3.583 -7.885 -0.856 1.00 0.00 H new ATOM 202 N GLY A 18 4.516 -10.814 0.182 1.00 0.00 N ATOM 203 CA GLY A 18 3.944 -12.143 0.291 1.00 0.00 C ATOM 204 C GLY A 18 2.648 -12.281 -0.483 1.00 0.00 C ATOM 205 O GLY A 18 2.241 -11.362 -1.195 1.00 0.00 O ATOM 0 H GLY A 18 4.615 -10.316 1.067 1.00 0.00 H new ATOM 0 HA2 GLY A 18 4.663 -12.876 -0.076 1.00 0.00 H new ATOM 0 HA3 GLY A 18 3.763 -12.372 1.341 1.00 0.00 H new ATOM 209 N ARG A 19 1.998 -13.432 -0.345 1.00 0.00 N ATOM 210 CA ARG A 19 0.741 -13.688 -1.039 1.00 0.00 C ATOM 211 C ARG A 19 -0.450 -13.333 -0.154 1.00 0.00 C ATOM 212 O ARG A 19 -1.287 -14.184 0.147 1.00 0.00 O ATOM 213 CB ARG A 19 0.657 -15.155 -1.461 1.00 0.00 C ATOM 214 CG ARG A 19 -0.527 -15.463 -2.363 1.00 0.00 C ATOM 215 CD ARG A 19 -0.291 -14.969 -3.782 1.00 0.00 C ATOM 216 NE ARG A 19 -1.083 -15.712 -4.758 1.00 0.00 N ATOM 217 CZ ARG A 19 -0.944 -15.576 -6.073 1.00 0.00 C ATOM 218 NH1 ARG A 19 -0.049 -14.731 -6.564 1.00 0.00 N ATOM 219 NH2 ARG A 19 -1.702 -16.287 -6.898 1.00 0.00 N ATOM 0 H ARG A 19 2.321 -14.202 0.241 1.00 0.00 H new ATOM 0 HA ARG A 19 0.711 -13.059 -1.929 1.00 0.00 H new ATOM 0 HB2 ARG A 19 1.577 -15.429 -1.977 1.00 0.00 H new ATOM 0 HB3 ARG A 19 0.595 -15.778 -0.569 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -0.706 -16.538 -2.376 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -1.425 -14.996 -1.959 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -0.540 -13.910 -3.843 1.00 0.00 H new ATOM 0 HD3 ARG A 19 0.767 -15.062 -4.027 1.00 0.00 H new ATOM 0 HE ARG A 19 -1.781 -16.371 -4.412 1.00 0.00 H new ATOM 0 HH11 ARG A 19 0.535 -14.183 -5.932 1.00 0.00 H new ATOM 0 HH12 ARG A 19 0.056 -14.629 -7.573 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -2.392 -16.938 -6.523 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -1.595 -16.182 -7.907 1.00 0.00 H new ATOM 233 N GLU A 20 -0.520 -12.071 0.258 1.00 0.00 N ATOM 234 CA GLU A 20 -1.608 -11.605 1.109 1.00 0.00 C ATOM 235 C GLU A 20 -2.469 -10.579 0.379 1.00 0.00 C ATOM 236 O GLU A 20 -3.565 -10.241 0.826 1.00 0.00 O ATOM 237 CB GLU A 20 -1.053 -10.996 2.398 1.00 0.00 C ATOM 238 CG GLU A 20 -2.118 -10.700 3.440 1.00 0.00 C ATOM 239 CD GLU A 20 -2.561 -11.941 4.190 1.00 0.00 C ATOM 240 OE1 GLU A 20 -1.847 -12.964 4.118 1.00 0.00 O ATOM 241 OE2 GLU A 20 -3.621 -11.891 4.849 1.00 0.00 O ATOM 0 H GLU A 20 0.164 -11.354 0.016 1.00 0.00 H new ATOM 0 HA GLU A 20 -2.231 -12.464 1.360 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -0.319 -11.679 2.825 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -0.527 -10.073 2.156 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -1.732 -9.969 4.151 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -2.981 -10.247 2.953 1.00 0.00 H new ATOM 248 N TRP A 21 -1.964 -10.087 -0.747 1.00 0.00 N ATOM 249 CA TRP A 21 -2.686 -9.098 -1.540 1.00 0.00 C ATOM 250 C TRP A 21 -2.667 -9.468 -3.019 1.00 0.00 C ATOM 251 O TRP A 21 -1.647 -9.914 -3.545 1.00 0.00 O ATOM 252 CB TRP A 21 -2.077 -7.710 -1.341 1.00 0.00 C ATOM 253 CG TRP A 21 -2.675 -6.958 -0.190 1.00 0.00 C ATOM 254 CD1 TRP A 21 -2.765 -7.379 1.106 1.00 0.00 C ATOM 255 CD2 TRP A 21 -3.268 -5.655 -0.233 1.00 0.00 C ATOM 256 NE1 TRP A 21 -3.378 -6.416 1.871 1.00 0.00 N ATOM 257 CE2 TRP A 21 -3.695 -5.349 1.073 1.00 0.00 C ATOM 258 CE3 TRP A 21 -3.476 -4.717 -1.248 1.00 0.00 C ATOM 259 CZ2 TRP A 21 -4.320 -4.145 1.389 1.00 0.00 C ATOM 260 CZ3 TRP A 21 -4.097 -3.523 -0.933 1.00 0.00 C ATOM 261 CH2 TRP A 21 -4.512 -3.245 0.376 1.00 0.00 C ATOM 0 H TRP A 21 -1.058 -10.356 -1.131 1.00 0.00 H new ATOM 0 HA TRP A 21 -3.722 -9.084 -1.201 1.00 0.00 H new ATOM 0 HB2 TRP A 21 -1.004 -7.812 -1.181 1.00 0.00 H new ATOM 0 HB3 TRP A 21 -2.209 -7.129 -2.254 1.00 0.00 H new ATOM 0 HD1 TRP A 21 -2.407 -8.329 1.475 1.00 0.00 H new ATOM 0 HE1 TRP A 21 -3.566 -6.485 2.871 1.00 0.00 H new ATOM 0 HE3 TRP A 21 -3.157 -4.921 -2.260 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 -4.642 -3.929 2.397 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 -4.265 -2.792 -1.710 1.00 0.00 H new ATOM 0 HH2 TRP A 21 -4.993 -2.302 0.590 1.00 0.00 H new ATOM 272 N THR A 22 -3.801 -9.278 -3.687 1.00 0.00 N ATOM 273 CA THR A 22 -3.914 -9.593 -5.106 1.00 0.00 C ATOM 274 C THR A 22 -3.076 -8.638 -5.949 1.00 0.00 C ATOM 275 O THR A 22 -2.830 -7.499 -5.553 1.00 0.00 O ATOM 276 CB THR A 22 -5.378 -9.529 -5.581 1.00 0.00 C ATOM 277 OG1 THR A 22 -5.868 -8.187 -5.480 1.00 0.00 O ATOM 278 CG2 THR A 22 -6.255 -10.458 -4.755 1.00 0.00 C ATOM 0 H THR A 22 -4.654 -8.908 -3.268 1.00 0.00 H new ATOM 0 HA THR A 22 -3.542 -10.610 -5.235 1.00 0.00 H new ATOM 0 HB THR A 22 -5.414 -9.851 -6.622 1.00 0.00 H new ATOM 0 HG1 THR A 22 -6.834 -8.178 -5.644 1.00 0.00 H new ATOM 0 HG21 THR A 22 -7.284 -10.396 -5.108 1.00 0.00 H new ATOM 0 HG22 THR A 22 -5.897 -11.483 -4.857 1.00 0.00 H new ATOM 0 HG23 THR A 22 -6.213 -10.162 -3.707 1.00 0.00 H new ATOM 286 N GLU A 23 -2.641 -9.110 -7.113 1.00 0.00 N ATOM 287 CA GLU A 23 -1.831 -8.296 -8.012 1.00 0.00 C ATOM 288 C GLU A 23 -2.438 -6.907 -8.185 1.00 0.00 C ATOM 289 O GLU A 23 -1.721 -5.910 -8.261 1.00 0.00 O ATOM 290 CB GLU A 23 -1.697 -8.980 -9.374 1.00 0.00 C ATOM 291 CG GLU A 23 -0.534 -8.462 -10.204 1.00 0.00 C ATOM 292 CD GLU A 23 -0.112 -9.435 -11.288 1.00 0.00 C ATOM 293 OE1 GLU A 23 -0.983 -10.170 -11.798 1.00 0.00 O ATOM 294 OE2 GLU A 23 1.090 -9.460 -11.626 1.00 0.00 O ATOM 0 H GLU A 23 -2.836 -10.051 -7.455 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.841 -8.188 -7.569 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -1.575 -10.052 -9.222 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -2.622 -8.841 -9.934 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -0.813 -7.513 -10.662 1.00 0.00 H new ATOM 0 HG3 GLU A 23 0.314 -8.263 -9.549 1.00 0.00 H new ATOM 301 N GLN A 24 -3.765 -6.852 -8.248 1.00 0.00 N ATOM 302 CA GLN A 24 -4.469 -5.586 -8.414 1.00 0.00 C ATOM 303 C GLN A 24 -4.478 -4.793 -7.111 1.00 0.00 C ATOM 304 O GLN A 24 -3.817 -3.761 -6.998 1.00 0.00 O ATOM 305 CB GLN A 24 -5.903 -5.834 -8.884 1.00 0.00 C ATOM 306 CG GLN A 24 -6.059 -5.822 -10.396 1.00 0.00 C ATOM 307 CD GLN A 24 -5.530 -4.549 -11.027 1.00 0.00 C ATOM 308 OE1 GLN A 24 -6.186 -3.508 -10.997 1.00 0.00 O ATOM 309 NE2 GLN A 24 -4.337 -4.626 -11.605 1.00 0.00 N ATOM 0 H GLN A 24 -4.373 -7.669 -8.187 1.00 0.00 H new ATOM 0 HA GLN A 24 -3.942 -5.002 -9.169 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -6.241 -6.797 -8.500 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -6.554 -5.073 -8.454 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -5.533 -6.678 -10.819 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -7.113 -5.938 -10.650 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -3.827 -5.509 -11.607 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -3.930 -3.802 -12.047 1.00 0.00 H new ATOM 318 N GLU A 25 -5.231 -5.283 -6.131 1.00 0.00 N ATOM 319 CA GLU A 25 -5.326 -4.618 -4.837 1.00 0.00 C ATOM 320 C GLU A 25 -3.988 -3.998 -4.445 1.00 0.00 C ATOM 321 O GLU A 25 -3.937 -2.892 -3.905 1.00 0.00 O ATOM 322 CB GLU A 25 -5.776 -5.609 -3.762 1.00 0.00 C ATOM 323 CG GLU A 25 -7.278 -5.834 -3.731 1.00 0.00 C ATOM 324 CD GLU A 25 -7.873 -5.987 -5.118 1.00 0.00 C ATOM 325 OE1 GLU A 25 -7.940 -4.976 -5.849 1.00 0.00 O ATOM 326 OE2 GLU A 25 -8.272 -7.116 -5.471 1.00 0.00 O ATOM 0 H GLU A 25 -5.783 -6.137 -6.209 1.00 0.00 H new ATOM 0 HA GLU A 25 -6.066 -3.822 -4.919 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -5.278 -6.564 -3.929 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -5.451 -5.246 -2.787 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -7.496 -6.727 -3.145 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -7.757 -4.996 -3.224 1.00 0.00 H new ATOM 333 N THR A 26 -2.905 -4.718 -4.719 1.00 0.00 N ATOM 334 CA THR A 26 -1.567 -4.241 -4.394 1.00 0.00 C ATOM 335 C THR A 26 -1.291 -2.891 -5.046 1.00 0.00 C ATOM 336 O THR A 26 -0.887 -1.938 -4.378 1.00 0.00 O ATOM 337 CB THR A 26 -0.488 -5.244 -4.842 1.00 0.00 C ATOM 338 OG1 THR A 26 -0.742 -6.529 -4.263 1.00 0.00 O ATOM 339 CG2 THR A 26 0.898 -4.766 -4.438 1.00 0.00 C ATOM 0 H THR A 26 -2.929 -5.635 -5.166 1.00 0.00 H new ATOM 0 HA THR A 26 -1.525 -4.134 -3.310 1.00 0.00 H new ATOM 0 HB THR A 26 -0.526 -5.321 -5.929 1.00 0.00 H new ATOM 0 HG1 THR A 26 -1.440 -6.987 -4.776 1.00 0.00 H new ATOM 0 HG21 THR A 26 1.643 -5.491 -4.765 1.00 0.00 H new ATOM 0 HG22 THR A 26 1.101 -3.802 -4.904 1.00 0.00 H new ATOM 0 HG23 THR A 26 0.945 -4.662 -3.354 1.00 0.00 H new ATOM 347 N LEU A 27 -1.512 -2.815 -6.354 1.00 0.00 N ATOM 348 CA LEU A 27 -1.288 -1.579 -7.097 1.00 0.00 C ATOM 349 C LEU A 27 -2.231 -0.479 -6.621 1.00 0.00 C ATOM 350 O LEU A 27 -1.802 0.639 -6.332 1.00 0.00 O ATOM 351 CB LEU A 27 -1.481 -1.820 -8.595 1.00 0.00 C ATOM 352 CG LEU A 27 -0.520 -2.816 -9.245 1.00 0.00 C ATOM 353 CD1 LEU A 27 -1.010 -3.204 -10.631 1.00 0.00 C ATOM 354 CD2 LEU A 27 0.884 -2.232 -9.317 1.00 0.00 C ATOM 0 H LEU A 27 -1.846 -3.594 -6.922 1.00 0.00 H new ATOM 0 HA LEU A 27 -0.263 -1.256 -6.916 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -2.500 -2.170 -8.758 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -1.386 -0.865 -9.111 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.487 -3.715 -8.630 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.313 -3.913 -11.078 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -1.995 -3.663 -10.553 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -1.073 -2.314 -11.257 1.00 0.00 H new ATOM 0 HD21 LEU A 27 1.555 -2.954 -9.782 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.868 -1.317 -9.910 1.00 0.00 H new ATOM 0 HD23 LEU A 27 1.236 -2.006 -8.311 1.00 0.00 H new ATOM 366 N LEU A 28 -3.516 -0.803 -6.540 1.00 0.00 N ATOM 367 CA LEU A 28 -4.521 0.157 -6.096 1.00 0.00 C ATOM 368 C LEU A 28 -4.041 0.918 -4.865 1.00 0.00 C ATOM 369 O LEU A 28 -4.125 2.146 -4.808 1.00 0.00 O ATOM 370 CB LEU A 28 -5.837 -0.558 -5.787 1.00 0.00 C ATOM 371 CG LEU A 28 -6.652 -1.017 -6.996 1.00 0.00 C ATOM 372 CD1 LEU A 28 -7.623 0.071 -7.429 1.00 0.00 C ATOM 373 CD2 LEU A 28 -5.732 -1.401 -8.145 1.00 0.00 C ATOM 0 H LEU A 28 -3.887 -1.723 -6.776 1.00 0.00 H new ATOM 0 HA LEU A 28 -4.684 0.873 -6.902 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -5.618 -1.429 -5.170 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -6.457 0.109 -5.188 1.00 0.00 H new ATOM 0 HG LEU A 28 -7.228 -1.897 -6.709 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -8.195 -0.273 -8.291 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -8.304 0.298 -6.609 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -7.067 0.969 -7.698 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -6.330 -1.725 -8.997 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -5.129 -0.540 -8.432 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -5.077 -2.214 -7.831 1.00 0.00 H new ATOM 385 N LEU A 29 -3.535 0.183 -3.881 1.00 0.00 N ATOM 386 CA LEU A 29 -3.038 0.788 -2.650 1.00 0.00 C ATOM 387 C LEU A 29 -1.872 1.728 -2.938 1.00 0.00 C ATOM 388 O LEU A 29 -1.825 2.850 -2.433 1.00 0.00 O ATOM 389 CB LEU A 29 -2.602 -0.297 -1.665 1.00 0.00 C ATOM 390 CG LEU A 29 -1.843 0.185 -0.428 1.00 0.00 C ATOM 391 CD1 LEU A 29 -2.814 0.598 0.667 1.00 0.00 C ATOM 392 CD2 LEU A 29 -0.899 -0.899 0.074 1.00 0.00 C ATOM 0 H LEU A 29 -3.458 -0.834 -3.912 1.00 0.00 H new ATOM 0 HA LEU A 29 -3.847 1.368 -2.207 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -3.489 -0.837 -1.335 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -1.973 -1.011 -2.197 1.00 0.00 H new ATOM 0 HG LEU A 29 -1.249 1.056 -0.706 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -2.256 0.938 1.539 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -3.449 1.407 0.305 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -3.435 -0.254 0.943 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -0.367 -0.539 0.955 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -1.472 -1.789 0.335 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -0.181 -1.147 -0.708 1.00 0.00 H new ATOM 404 N LEU A 30 -0.932 1.263 -3.754 1.00 0.00 N ATOM 405 CA LEU A 30 0.234 2.063 -4.112 1.00 0.00 C ATOM 406 C LEU A 30 -0.183 3.352 -4.812 1.00 0.00 C ATOM 407 O LEU A 30 0.367 4.420 -4.546 1.00 0.00 O ATOM 408 CB LEU A 30 1.171 1.259 -5.016 1.00 0.00 C ATOM 409 CG LEU A 30 2.022 0.194 -4.323 1.00 0.00 C ATOM 410 CD1 LEU A 30 2.657 -0.732 -5.348 1.00 0.00 C ATOM 411 CD2 LEU A 30 3.090 0.845 -3.456 1.00 0.00 C ATOM 0 H LEU A 30 -0.955 0.336 -4.180 1.00 0.00 H new ATOM 0 HA LEU A 30 0.760 2.324 -3.194 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.572 0.772 -5.786 1.00 0.00 H new ATOM 0 HB3 LEU A 30 1.839 1.955 -5.524 1.00 0.00 H new ATOM 0 HG LEU A 30 1.373 -0.400 -3.680 1.00 0.00 H new ATOM 0 HD11 LEU A 30 3.259 -1.483 -4.836 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.876 -1.225 -5.926 1.00 0.00 H new ATOM 0 HD13 LEU A 30 3.293 -0.152 -6.017 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.686 0.072 -2.971 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.736 1.464 -4.078 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.614 1.466 -2.697 1.00 0.00 H new ATOM 423 N GLU A 31 -1.160 3.244 -5.707 1.00 0.00 N ATOM 424 CA GLU A 31 -1.652 4.402 -6.443 1.00 0.00 C ATOM 425 C GLU A 31 -2.203 5.460 -5.491 1.00 0.00 C ATOM 426 O GLU A 31 -1.723 6.593 -5.460 1.00 0.00 O ATOM 427 CB GLU A 31 -2.737 3.980 -7.436 1.00 0.00 C ATOM 428 CG GLU A 31 -2.234 3.055 -8.532 1.00 0.00 C ATOM 429 CD GLU A 31 -0.957 3.557 -9.177 1.00 0.00 C ATOM 430 OE1 GLU A 31 -1.044 4.432 -10.064 1.00 0.00 O ATOM 431 OE2 GLU A 31 0.130 3.074 -8.796 1.00 0.00 O ATOM 0 H GLU A 31 -1.626 2.367 -5.940 1.00 0.00 H new ATOM 0 HA GLU A 31 -0.814 4.833 -6.991 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -3.541 3.483 -6.893 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -3.166 4.872 -7.893 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -2.060 2.063 -8.114 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -3.005 2.949 -9.295 1.00 0.00 H new ATOM 438 N ALA A 32 -3.213 5.080 -4.715 1.00 0.00 N ATOM 439 CA ALA A 32 -3.828 5.994 -3.760 1.00 0.00 C ATOM 440 C ALA A 32 -2.790 6.565 -2.800 1.00 0.00 C ATOM 441 O ALA A 32 -2.859 7.734 -2.418 1.00 0.00 O ATOM 442 CB ALA A 32 -4.931 5.286 -2.988 1.00 0.00 C ATOM 0 H ALA A 32 -3.622 4.146 -4.729 1.00 0.00 H new ATOM 0 HA ALA A 32 -4.264 6.823 -4.317 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -5.382 5.980 -2.278 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -5.692 4.932 -3.683 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -4.510 4.438 -2.448 1.00 0.00 H new ATOM 448 N LEU A 33 -1.830 5.733 -2.411 1.00 0.00 N ATOM 449 CA LEU A 33 -0.777 6.155 -1.494 1.00 0.00 C ATOM 450 C LEU A 33 -0.066 7.400 -2.016 1.00 0.00 C ATOM 451 O LEU A 33 0.656 8.069 -1.278 1.00 0.00 O ATOM 452 CB LEU A 33 0.233 5.025 -1.291 1.00 0.00 C ATOM 453 CG LEU A 33 -0.067 4.053 -0.149 1.00 0.00 C ATOM 454 CD1 LEU A 33 0.980 2.952 -0.096 1.00 0.00 C ATOM 455 CD2 LEU A 33 -0.132 4.794 1.179 1.00 0.00 C ATOM 0 H LEU A 33 -1.759 4.762 -2.716 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.239 6.397 -0.537 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.302 4.455 -2.218 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.213 5.468 -1.116 1.00 0.00 H new ATOM 0 HG LEU A 33 -1.038 3.594 -0.334 1.00 0.00 H new ATOM 0 HD11 LEU A 33 0.750 2.270 0.723 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.978 2.402 -1.037 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.964 3.393 0.065 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.346 4.087 1.980 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.824 5.281 1.371 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.920 5.546 1.138 1.00 0.00 H new ATOM 467 N GLU A 34 -0.279 7.705 -3.293 1.00 0.00 N ATOM 468 CA GLU A 34 0.341 8.870 -3.912 1.00 0.00 C ATOM 469 C GLU A 34 -0.570 10.090 -3.809 1.00 0.00 C ATOM 470 O GLU A 34 -0.101 11.215 -3.635 1.00 0.00 O ATOM 471 CB GLU A 34 0.664 8.584 -5.380 1.00 0.00 C ATOM 472 CG GLU A 34 1.702 7.492 -5.573 1.00 0.00 C ATOM 473 CD GLU A 34 2.119 7.333 -7.023 1.00 0.00 C ATOM 474 OE1 GLU A 34 1.294 6.854 -7.829 1.00 0.00 O ATOM 475 OE2 GLU A 34 3.271 7.688 -7.351 1.00 0.00 O ATOM 0 H GLU A 34 -0.875 7.162 -3.917 1.00 0.00 H new ATOM 0 HA GLU A 34 1.267 9.083 -3.378 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -0.253 8.298 -5.896 1.00 0.00 H new ATOM 0 HB3 GLU A 34 1.021 9.500 -5.850 1.00 0.00 H new ATOM 0 HG2 GLU A 34 2.580 7.720 -4.969 1.00 0.00 H new ATOM 0 HG3 GLU A 34 1.301 6.546 -5.208 1.00 0.00 H new ATOM 482 N MET A 35 -1.874 9.858 -3.918 1.00 0.00 N ATOM 483 CA MET A 35 -2.851 10.938 -3.837 1.00 0.00 C ATOM 484 C MET A 35 -3.407 11.062 -2.422 1.00 0.00 C ATOM 485 O MET A 35 -3.336 12.126 -1.807 1.00 0.00 O ATOM 486 CB MET A 35 -3.992 10.698 -4.827 1.00 0.00 C ATOM 487 CG MET A 35 -3.540 10.660 -6.278 1.00 0.00 C ATOM 488 SD MET A 35 -4.798 9.985 -7.380 1.00 0.00 S ATOM 489 CE MET A 35 -4.716 8.246 -6.962 1.00 0.00 C ATOM 0 H MET A 35 -2.278 8.933 -4.063 1.00 0.00 H new ATOM 0 HA MET A 35 -2.348 11.870 -4.094 1.00 0.00 H new ATOM 0 HB2 MET A 35 -4.482 9.755 -4.583 1.00 0.00 H new ATOM 0 HB3 MET A 35 -4.737 11.485 -4.708 1.00 0.00 H new ATOM 0 HG2 MET A 35 -3.283 11.669 -6.601 1.00 0.00 H new ATOM 0 HG3 MET A 35 -2.634 10.060 -6.357 1.00 0.00 H new ATOM 0 HE1 MET A 35 -5.182 7.659 -7.754 1.00 0.00 H new ATOM 0 HE2 MET A 35 -3.674 7.947 -6.854 1.00 0.00 H new ATOM 0 HE3 MET A 35 -5.243 8.072 -6.024 1.00 0.00 H new ATOM 499 N TYR A 36 -3.962 9.968 -1.911 1.00 0.00 N ATOM 500 CA TYR A 36 -4.532 9.955 -0.570 1.00 0.00 C ATOM 501 C TYR A 36 -3.539 9.390 0.440 1.00 0.00 C ATOM 502 O TYR A 36 -3.922 8.720 1.399 1.00 0.00 O ATOM 503 CB TYR A 36 -5.822 9.132 -0.549 1.00 0.00 C ATOM 504 CG TYR A 36 -6.622 9.229 -1.828 1.00 0.00 C ATOM 505 CD1 TYR A 36 -6.933 10.464 -2.384 1.00 0.00 C ATOM 506 CD2 TYR A 36 -7.070 8.087 -2.479 1.00 0.00 C ATOM 507 CE1 TYR A 36 -7.665 10.558 -3.552 1.00 0.00 C ATOM 508 CE2 TYR A 36 -7.801 8.171 -3.648 1.00 0.00 C ATOM 509 CZ TYR A 36 -8.096 9.408 -4.180 1.00 0.00 C ATOM 510 OH TYR A 36 -8.826 9.497 -5.344 1.00 0.00 O ATOM 0 H TYR A 36 -4.029 9.079 -2.406 1.00 0.00 H new ATOM 0 HA TYR A 36 -4.760 10.984 -0.291 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -5.574 8.087 -0.364 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -6.442 9.465 0.284 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -6.597 11.366 -1.895 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -6.843 7.116 -2.064 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -7.898 11.526 -3.971 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -8.140 7.273 -4.142 1.00 0.00 H new ATOM 0 HH TYR A 36 -9.051 8.597 -5.659 1.00 0.00 H new ATOM 520 N LYS A 37 -2.258 9.666 0.218 1.00 0.00 N ATOM 521 CA LYS A 37 -1.206 9.188 1.108 1.00 0.00 C ATOM 522 C LYS A 37 -1.682 9.177 2.557 1.00 0.00 C ATOM 523 O LYS A 37 -1.698 8.133 3.208 1.00 0.00 O ATOM 524 CB LYS A 37 0.040 10.066 0.975 1.00 0.00 C ATOM 525 CG LYS A 37 -0.248 11.553 1.088 1.00 0.00 C ATOM 526 CD LYS A 37 0.792 12.380 0.351 1.00 0.00 C ATOM 527 CE LYS A 37 2.003 12.660 1.227 1.00 0.00 C ATOM 528 NZ LYS A 37 1.757 13.783 2.173 1.00 0.00 N ATOM 0 H LYS A 37 -1.923 10.219 -0.571 1.00 0.00 H new ATOM 0 HA LYS A 37 -0.956 8.167 0.819 1.00 0.00 H new ATOM 0 HB2 LYS A 37 0.757 9.784 1.746 1.00 0.00 H new ATOM 0 HB3 LYS A 37 0.512 9.868 0.013 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -1.237 11.765 0.682 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -0.266 11.842 2.139 1.00 0.00 H new ATOM 0 HD2 LYS A 37 1.107 11.852 -0.549 1.00 0.00 H new ATOM 0 HD3 LYS A 37 0.348 13.322 0.030 1.00 0.00 H new ATOM 0 HE2 LYS A 37 2.260 11.762 1.789 1.00 0.00 H new ATOM 0 HE3 LYS A 37 2.860 12.898 0.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 2.606 13.942 2.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 1.537 14.647 1.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 0.956 13.546 2.792 1.00 0.00 H new ATOM 542 N ASP A 38 -2.071 10.346 3.055 1.00 0.00 N ATOM 543 CA ASP A 38 -2.550 10.471 4.427 1.00 0.00 C ATOM 544 C ASP A 38 -4.023 10.085 4.525 1.00 0.00 C ATOM 545 O ASP A 38 -4.411 9.294 5.385 1.00 0.00 O ATOM 546 CB ASP A 38 -2.350 11.901 4.931 1.00 0.00 C ATOM 547 CG ASP A 38 -2.977 12.932 4.013 1.00 0.00 C ATOM 548 OD1 ASP A 38 -2.695 12.892 2.797 1.00 0.00 O ATOM 549 OD2 ASP A 38 -3.749 13.778 4.510 1.00 0.00 O ATOM 0 H ASP A 38 -2.064 11.220 2.529 1.00 0.00 H new ATOM 0 HA ASP A 38 -1.972 9.790 5.052 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -2.782 11.996 5.927 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -1.283 12.104 5.025 1.00 0.00 H new ATOM 554 N ASP A 39 -4.837 10.649 3.640 1.00 0.00 N ATOM 555 CA ASP A 39 -6.267 10.363 3.627 1.00 0.00 C ATOM 556 C ASP A 39 -6.523 8.876 3.406 1.00 0.00 C ATOM 557 O ASP A 39 -6.825 8.447 2.292 1.00 0.00 O ATOM 558 CB ASP A 39 -6.962 11.181 2.537 1.00 0.00 C ATOM 559 CG ASP A 39 -7.205 12.617 2.956 1.00 0.00 C ATOM 560 OD1 ASP A 39 -6.230 13.397 2.993 1.00 0.00 O ATOM 561 OD2 ASP A 39 -8.369 12.961 3.249 1.00 0.00 O ATOM 0 H ASP A 39 -4.532 11.307 2.923 1.00 0.00 H new ATOM 0 HA ASP A 39 -6.677 10.642 4.598 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -6.353 11.168 1.633 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -7.914 10.713 2.287 1.00 0.00 H new ATOM 566 N TRP A 40 -6.397 8.094 4.472 1.00 0.00 N ATOM 567 CA TRP A 40 -6.614 6.654 4.393 1.00 0.00 C ATOM 568 C TRP A 40 -8.074 6.339 4.087 1.00 0.00 C ATOM 569 O TRP A 40 -8.372 5.508 3.230 1.00 0.00 O ATOM 570 CB TRP A 40 -6.199 5.983 5.704 1.00 0.00 C ATOM 571 CG TRP A 40 -4.727 6.066 5.973 1.00 0.00 C ATOM 572 CD1 TRP A 40 -4.096 6.934 6.819 1.00 0.00 C ATOM 573 CD2 TRP A 40 -3.702 5.252 5.393 1.00 0.00 C ATOM 574 NE1 TRP A 40 -2.741 6.708 6.799 1.00 0.00 N ATOM 575 CE2 TRP A 40 -2.473 5.681 5.933 1.00 0.00 C ATOM 576 CE3 TRP A 40 -3.702 4.202 4.472 1.00 0.00 C ATOM 577 CZ2 TRP A 40 -1.261 5.096 5.580 1.00 0.00 C ATOM 578 CZ3 TRP A 40 -2.497 3.622 4.122 1.00 0.00 C ATOM 579 CH2 TRP A 40 -1.290 4.069 4.676 1.00 0.00 C ATOM 0 H TRP A 40 -6.146 8.433 5.401 1.00 0.00 H new ATOM 0 HA TRP A 40 -6.000 6.263 3.582 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -6.739 6.448 6.529 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -6.498 4.935 5.678 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -4.590 7.687 7.416 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -2.047 7.222 7.341 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -4.627 3.849 4.041 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -0.330 5.440 6.005 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -2.486 2.811 3.409 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -0.365 3.594 4.384 1.00 0.00 H new ATOM 590 N ASN A 41 -8.980 7.008 4.792 1.00 0.00 N ATOM 591 CA ASN A 41 -10.410 6.798 4.595 1.00 0.00 C ATOM 592 C ASN A 41 -10.726 6.560 3.121 1.00 0.00 C ATOM 593 O ASN A 41 -11.380 5.580 2.765 1.00 0.00 O ATOM 594 CB ASN A 41 -11.199 8.003 5.110 1.00 0.00 C ATOM 595 CG ASN A 41 -12.578 7.619 5.611 1.00 0.00 C ATOM 596 OD1 ASN A 41 -13.503 7.418 4.823 1.00 0.00 O ATOM 597 ND2 ASN A 41 -12.722 7.516 6.927 1.00 0.00 N ATOM 0 H ASN A 41 -8.750 7.700 5.505 1.00 0.00 H new ATOM 0 HA ASN A 41 -10.704 5.913 5.159 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -10.642 8.481 5.916 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -11.297 8.738 4.311 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -13.627 7.261 7.323 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -11.928 7.692 7.542 1.00 0.00 H new ATOM 604 N LYS A 42 -10.257 7.465 2.268 1.00 0.00 N ATOM 605 CA LYS A 42 -10.487 7.355 0.832 1.00 0.00 C ATOM 606 C LYS A 42 -9.799 6.118 0.264 1.00 0.00 C ATOM 607 O LYS A 42 -10.394 5.361 -0.503 1.00 0.00 O ATOM 608 CB LYS A 42 -9.980 8.608 0.116 1.00 0.00 C ATOM 609 CG LYS A 42 -11.027 9.700 -0.014 1.00 0.00 C ATOM 610 CD LYS A 42 -10.791 10.555 -1.248 1.00 0.00 C ATOM 611 CE LYS A 42 -9.853 11.715 -0.951 1.00 0.00 C ATOM 612 NZ LYS A 42 -9.978 12.802 -1.962 1.00 0.00 N ATOM 0 H LYS A 42 -9.715 8.283 2.547 1.00 0.00 H new ATOM 0 HA LYS A 42 -11.560 7.260 0.668 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -9.121 9.003 0.658 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -9.630 8.331 -0.879 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -12.019 9.250 -0.066 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -11.009 10.330 0.875 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -10.370 9.940 -2.043 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -11.743 10.940 -1.613 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -10.071 12.114 0.040 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -8.825 11.354 -0.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -9.323 13.574 -1.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -9.746 12.428 -2.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -10.953 13.164 -1.964 1.00 0.00 H new ATOM 626 N VAL A 43 -8.541 5.917 0.647 1.00 0.00 N ATOM 627 CA VAL A 43 -7.773 4.771 0.178 1.00 0.00 C ATOM 628 C VAL A 43 -8.616 3.501 0.192 1.00 0.00 C ATOM 629 O VAL A 43 -8.726 2.805 -0.818 1.00 0.00 O ATOM 630 CB VAL A 43 -6.515 4.548 1.038 1.00 0.00 C ATOM 631 CG1 VAL A 43 -5.803 3.270 0.623 1.00 0.00 C ATOM 632 CG2 VAL A 43 -5.582 5.745 0.937 1.00 0.00 C ATOM 0 H VAL A 43 -8.033 6.534 1.281 1.00 0.00 H new ATOM 0 HA VAL A 43 -7.470 4.991 -0.846 1.00 0.00 H new ATOM 0 HB VAL A 43 -6.822 4.442 2.079 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -4.917 3.130 1.242 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -6.474 2.421 0.753 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -5.507 3.342 -0.424 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -4.698 5.570 1.551 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -5.281 5.885 -0.101 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -6.097 6.639 1.289 1.00 0.00 H new ATOM 642 N SER A 44 -9.212 3.205 1.343 1.00 0.00 N ATOM 643 CA SER A 44 -10.044 2.017 1.490 1.00 0.00 C ATOM 644 C SER A 44 -10.961 1.843 0.283 1.00 0.00 C ATOM 645 O SER A 44 -11.129 0.736 -0.228 1.00 0.00 O ATOM 646 CB SER A 44 -10.877 2.107 2.769 1.00 0.00 C ATOM 647 OG SER A 44 -11.900 3.079 2.644 1.00 0.00 O ATOM 0 H SER A 44 -9.134 3.772 2.187 1.00 0.00 H new ATOM 0 HA SER A 44 -9.387 1.149 1.553 1.00 0.00 H new ATOM 0 HB2 SER A 44 -11.319 1.135 2.988 1.00 0.00 H new ATOM 0 HB3 SER A 44 -10.231 2.360 3.610 1.00 0.00 H new ATOM 0 HG SER A 44 -11.547 3.959 2.890 1.00 0.00 H new ATOM 653 N GLU A 45 -11.553 2.945 -0.167 1.00 0.00 N ATOM 654 CA GLU A 45 -12.454 2.915 -1.313 1.00 0.00 C ATOM 655 C GLU A 45 -11.688 2.620 -2.599 1.00 0.00 C ATOM 656 O GLU A 45 -12.077 1.752 -3.381 1.00 0.00 O ATOM 657 CB GLU A 45 -13.196 4.247 -1.442 1.00 0.00 C ATOM 658 CG GLU A 45 -14.087 4.565 -0.253 1.00 0.00 C ATOM 659 CD GLU A 45 -14.957 3.392 0.154 1.00 0.00 C ATOM 660 OE1 GLU A 45 -15.347 2.606 -0.735 1.00 0.00 O ATOM 661 OE2 GLU A 45 -15.248 3.259 1.361 1.00 0.00 O ATOM 0 H GLU A 45 -11.425 3.869 0.245 1.00 0.00 H new ATOM 0 HA GLU A 45 -13.180 2.118 -1.152 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -12.468 5.049 -1.564 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -13.804 4.228 -2.346 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -13.466 4.863 0.592 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -14.722 5.416 -0.497 1.00 0.00 H new ATOM 668 N HIS A 46 -10.597 3.349 -2.812 1.00 0.00 N ATOM 669 CA HIS A 46 -9.776 3.167 -4.004 1.00 0.00 C ATOM 670 C HIS A 46 -9.551 1.684 -4.286 1.00 0.00 C ATOM 671 O HIS A 46 -9.828 1.202 -5.385 1.00 0.00 O ATOM 672 CB HIS A 46 -8.432 3.876 -3.836 1.00 0.00 C ATOM 673 CG HIS A 46 -7.827 4.326 -5.130 1.00 0.00 C ATOM 674 ND1 HIS A 46 -8.406 5.280 -5.940 1.00 0.00 N ATOM 675 CD2 HIS A 46 -6.686 3.948 -5.752 1.00 0.00 C ATOM 676 CE1 HIS A 46 -7.648 5.468 -7.005 1.00 0.00 C ATOM 677 NE2 HIS A 46 -6.597 4.672 -6.916 1.00 0.00 N ATOM 0 H HIS A 46 -10.261 4.071 -2.175 1.00 0.00 H new ATOM 0 HA HIS A 46 -10.305 3.604 -4.851 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -8.565 4.741 -3.186 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -7.736 3.204 -3.333 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -5.977 3.214 -5.399 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -7.853 6.156 -7.812 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -5.843 4.606 -7.600 1.00 0.00 H new ATOM 686 N VAL A 47 -9.047 0.966 -3.288 1.00 0.00 N ATOM 687 CA VAL A 47 -8.785 -0.461 -3.428 1.00 0.00 C ATOM 688 C VAL A 47 -10.037 -1.208 -3.874 1.00 0.00 C ATOM 689 O VAL A 47 -10.085 -1.762 -4.972 1.00 0.00 O ATOM 690 CB VAL A 47 -8.278 -1.072 -2.108 1.00 0.00 C ATOM 691 CG1 VAL A 47 -8.098 -2.576 -2.250 1.00 0.00 C ATOM 692 CG2 VAL A 47 -6.978 -0.409 -1.679 1.00 0.00 C ATOM 0 H VAL A 47 -8.812 1.350 -2.373 1.00 0.00 H new ATOM 0 HA VAL A 47 -8.011 -0.567 -4.188 1.00 0.00 H new ATOM 0 HB VAL A 47 -9.024 -0.891 -1.334 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -7.739 -2.990 -1.308 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -9.053 -3.034 -2.508 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -7.373 -2.783 -3.037 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -6.634 -0.853 -0.745 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -6.222 -0.557 -2.451 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -7.145 0.658 -1.534 1.00 0.00 H new ATOM 702 N GLY A 48 -11.051 -1.219 -3.014 1.00 0.00 N ATOM 703 CA GLY A 48 -12.290 -1.901 -3.337 1.00 0.00 C ATOM 704 C GLY A 48 -12.956 -2.504 -2.115 1.00 0.00 C ATOM 705 O GLY A 48 -13.952 -1.977 -1.619 1.00 0.00 O ATOM 0 H GLY A 48 -11.036 -0.768 -2.099 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -12.975 -1.198 -3.811 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -12.089 -2.689 -4.063 1.00 0.00 H new ATOM 709 N SER A 49 -12.406 -3.612 -1.630 1.00 0.00 N ATOM 710 CA SER A 49 -12.956 -4.291 -0.462 1.00 0.00 C ATOM 711 C SER A 49 -11.944 -4.312 0.680 1.00 0.00 C ATOM 712 O SER A 49 -11.708 -5.352 1.295 1.00 0.00 O ATOM 713 CB SER A 49 -13.365 -5.720 -0.822 1.00 0.00 C ATOM 714 OG SER A 49 -14.559 -5.731 -1.586 1.00 0.00 O ATOM 0 H SER A 49 -11.580 -4.059 -2.027 1.00 0.00 H new ATOM 0 HA SER A 49 -13.838 -3.740 -0.134 1.00 0.00 H new ATOM 0 HB2 SER A 49 -12.565 -6.200 -1.385 1.00 0.00 H new ATOM 0 HB3 SER A 49 -13.507 -6.302 0.089 1.00 0.00 H new ATOM 0 HG SER A 49 -14.799 -6.656 -1.805 1.00 0.00 H new ATOM 720 N ARG A 50 -11.350 -3.156 0.957 1.00 0.00 N ATOM 721 CA ARG A 50 -10.364 -3.041 2.024 1.00 0.00 C ATOM 722 C ARG A 50 -10.699 -1.876 2.952 1.00 0.00 C ATOM 723 O ARG A 50 -11.596 -1.082 2.670 1.00 0.00 O ATOM 724 CB ARG A 50 -8.964 -2.851 1.436 1.00 0.00 C ATOM 725 CG ARG A 50 -8.493 -4.027 0.595 1.00 0.00 C ATOM 726 CD ARG A 50 -8.202 -5.246 1.455 1.00 0.00 C ATOM 727 NE ARG A 50 -8.329 -6.491 0.702 1.00 0.00 N ATOM 728 CZ ARG A 50 -8.034 -7.686 1.202 1.00 0.00 C ATOM 729 NH1 ARG A 50 -7.598 -7.797 2.449 1.00 0.00 N ATOM 730 NH2 ARG A 50 -8.176 -8.772 0.454 1.00 0.00 N ATOM 0 H ARG A 50 -11.534 -2.286 0.457 1.00 0.00 H new ATOM 0 HA ARG A 50 -10.386 -3.963 2.604 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -8.956 -1.950 0.823 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -8.256 -2.690 2.249 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -9.255 -4.275 -0.144 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -7.595 -3.746 0.045 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -7.194 -5.170 1.862 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -8.887 -5.264 2.302 1.00 0.00 H new ATOM 0 HE ARG A 50 -8.662 -6.440 -0.261 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -7.488 -6.964 3.027 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -7.372 -8.716 2.830 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -8.512 -8.690 -0.506 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -7.949 -9.689 0.838 1.00 0.00 H new ATOM 744 N THR A 51 -9.972 -1.781 4.061 1.00 0.00 N ATOM 745 CA THR A 51 -10.192 -0.715 5.030 1.00 0.00 C ATOM 746 C THR A 51 -8.894 0.018 5.346 1.00 0.00 C ATOM 747 O THR A 51 -7.816 -0.399 4.923 1.00 0.00 O ATOM 748 CB THR A 51 -10.791 -1.263 6.340 1.00 0.00 C ATOM 749 OG1 THR A 51 -11.235 -0.180 7.165 1.00 0.00 O ATOM 750 CG2 THR A 51 -9.768 -2.097 7.095 1.00 0.00 C ATOM 0 H THR A 51 -9.226 -2.430 4.310 1.00 0.00 H new ATOM 0 HA THR A 51 -10.898 -0.018 4.579 1.00 0.00 H new ATOM 0 HB THR A 51 -11.640 -1.899 6.089 1.00 0.00 H new ATOM 0 HG1 THR A 51 -11.252 0.647 6.639 1.00 0.00 H new ATOM 0 HG21 THR A 51 -10.213 -2.473 8.016 1.00 0.00 H new ATOM 0 HG22 THR A 51 -9.454 -2.936 6.475 1.00 0.00 H new ATOM 0 HG23 THR A 51 -8.902 -1.480 7.336 1.00 0.00 H new ATOM 758 N GLN A 52 -9.005 1.113 6.091 1.00 0.00 N ATOM 759 CA GLN A 52 -7.838 1.905 6.463 1.00 0.00 C ATOM 760 C GLN A 52 -6.725 1.013 7.004 1.00 0.00 C ATOM 761 O GLN A 52 -5.635 0.950 6.435 1.00 0.00 O ATOM 762 CB GLN A 52 -8.219 2.955 7.508 1.00 0.00 C ATOM 763 CG GLN A 52 -9.296 3.919 7.037 1.00 0.00 C ATOM 764 CD GLN A 52 -10.697 3.392 7.279 1.00 0.00 C ATOM 765 OE1 GLN A 52 -10.882 2.232 7.648 1.00 0.00 O ATOM 766 NE2 GLN A 52 -11.694 4.245 7.072 1.00 0.00 N ATOM 0 H GLN A 52 -9.890 1.472 6.449 1.00 0.00 H new ATOM 0 HA GLN A 52 -7.473 2.409 5.568 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -8.565 2.449 8.410 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -7.330 3.522 7.782 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -9.176 4.872 7.553 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -9.164 4.114 5.973 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -11.495 5.198 6.766 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -12.659 3.947 7.219 1.00 0.00 H new ATOM 775 N ASP A 53 -7.007 0.326 8.106 1.00 0.00 N ATOM 776 CA ASP A 53 -6.030 -0.563 8.724 1.00 0.00 C ATOM 777 C ASP A 53 -5.356 -1.442 7.675 1.00 0.00 C ATOM 778 O ASP A 53 -4.174 -1.275 7.378 1.00 0.00 O ATOM 779 CB ASP A 53 -6.703 -1.437 9.784 1.00 0.00 C ATOM 780 CG ASP A 53 -5.820 -2.585 10.233 1.00 0.00 C ATOM 781 OD1 ASP A 53 -4.595 -2.377 10.360 1.00 0.00 O ATOM 782 OD2 ASP A 53 -6.355 -3.690 10.458 1.00 0.00 O ATOM 0 H ASP A 53 -7.904 0.368 8.589 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.267 0.051 9.202 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -6.962 -0.823 10.646 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -7.636 -1.835 9.384 1.00 0.00 H new ATOM 787 N GLU A 54 -6.117 -2.380 7.118 1.00 0.00 N ATOM 788 CA GLU A 54 -5.591 -3.287 6.104 1.00 0.00 C ATOM 789 C GLU A 54 -4.630 -2.558 5.169 1.00 0.00 C ATOM 790 O GLU A 54 -3.479 -2.966 5.005 1.00 0.00 O ATOM 791 CB GLU A 54 -6.736 -3.903 5.298 1.00 0.00 C ATOM 792 CG GLU A 54 -7.425 -5.058 6.004 1.00 0.00 C ATOM 793 CD GLU A 54 -7.669 -4.781 7.475 1.00 0.00 C ATOM 794 OE1 GLU A 54 -6.682 -4.585 8.214 1.00 0.00 O ATOM 795 OE2 GLU A 54 -8.848 -4.759 7.886 1.00 0.00 O ATOM 0 H GLU A 54 -7.098 -2.531 7.352 1.00 0.00 H new ATOM 0 HA GLU A 54 -5.044 -4.082 6.611 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -7.473 -3.130 5.080 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -6.348 -4.252 4.341 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -8.377 -5.263 5.514 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -6.815 -5.956 5.904 1.00 0.00 H new ATOM 802 N CYS A 55 -5.110 -1.481 4.559 1.00 0.00 N ATOM 803 CA CYS A 55 -4.295 -0.696 3.639 1.00 0.00 C ATOM 804 C CYS A 55 -2.997 -0.251 4.307 1.00 0.00 C ATOM 805 O CYS A 55 -1.935 -0.256 3.685 1.00 0.00 O ATOM 806 CB CYS A 55 -5.074 0.525 3.148 1.00 0.00 C ATOM 807 SG CYS A 55 -6.249 0.165 1.821 1.00 0.00 S ATOM 0 H CYS A 55 -6.060 -1.131 4.685 1.00 0.00 H new ATOM 0 HA CYS A 55 -4.046 -1.326 2.785 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -5.614 0.961 3.989 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -4.367 1.278 2.799 1.00 0.00 H new ATOM 0 HG CYS A 55 -7.462 0.272 2.275 1.00 0.00 H new ATOM 813 N ILE A 56 -3.093 0.135 5.575 1.00 0.00 N ATOM 814 CA ILE A 56 -1.927 0.583 6.326 1.00 0.00 C ATOM 815 C ILE A 56 -0.942 -0.560 6.547 1.00 0.00 C ATOM 816 O ILE A 56 0.268 -0.389 6.399 1.00 0.00 O ATOM 817 CB ILE A 56 -2.329 1.172 7.691 1.00 0.00 C ATOM 818 CG1 ILE A 56 -3.205 2.411 7.499 1.00 0.00 C ATOM 819 CG2 ILE A 56 -1.091 1.513 8.506 1.00 0.00 C ATOM 820 CD1 ILE A 56 -4.090 2.716 8.687 1.00 0.00 C ATOM 0 H ILE A 56 -3.965 0.146 6.103 1.00 0.00 H new ATOM 0 HA ILE A 56 -1.448 1.361 5.731 1.00 0.00 H new ATOM 0 HB ILE A 56 -2.905 0.425 8.237 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -2.565 3.271 7.303 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -3.830 2.271 6.617 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -1.392 1.928 9.468 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -0.502 0.610 8.669 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -0.491 2.245 7.966 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -4.683 3.607 8.480 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -4.755 1.872 8.871 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -3.471 2.889 9.567 1.00 0.00 H new ATOM 832 N LEU A 57 -1.469 -1.726 6.902 1.00 0.00 N ATOM 833 CA LEU A 57 -0.637 -2.900 7.142 1.00 0.00 C ATOM 834 C LEU A 57 0.070 -3.338 5.864 1.00 0.00 C ATOM 835 O LEU A 57 1.299 -3.369 5.801 1.00 0.00 O ATOM 836 CB LEU A 57 -1.487 -4.050 7.687 1.00 0.00 C ATOM 837 CG LEU A 57 -2.476 -3.686 8.796 1.00 0.00 C ATOM 838 CD1 LEU A 57 -3.298 -4.901 9.197 1.00 0.00 C ATOM 839 CD2 LEU A 57 -1.740 -3.116 10.000 1.00 0.00 C ATOM 0 H LEU A 57 -2.468 -1.884 7.030 1.00 0.00 H new ATOM 0 HA LEU A 57 0.119 -2.633 7.880 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -2.045 -4.487 6.859 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -0.818 -4.823 8.064 1.00 0.00 H new ATOM 0 HG LEU A 57 -3.155 -2.923 8.416 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -3.996 -4.623 9.987 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -3.854 -5.266 8.333 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -2.634 -5.686 9.559 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -2.459 -2.862 10.779 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -1.038 -3.857 10.381 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.196 -2.220 9.703 1.00 0.00 H new ATOM 851 N HIS A 58 -0.715 -3.673 4.844 1.00 0.00 N ATOM 852 CA HIS A 58 -0.164 -4.106 3.565 1.00 0.00 C ATOM 853 C HIS A 58 0.974 -3.190 3.126 1.00 0.00 C ATOM 854 O HIS A 58 1.986 -3.650 2.597 1.00 0.00 O ATOM 855 CB HIS A 58 -1.257 -4.129 2.496 1.00 0.00 C ATOM 856 CG HIS A 58 -0.788 -4.644 1.171 1.00 0.00 C ATOM 857 ND1 HIS A 58 -0.075 -5.815 1.028 1.00 0.00 N ATOM 858 CD2 HIS A 58 -0.935 -4.140 -0.077 1.00 0.00 C ATOM 859 CE1 HIS A 58 0.198 -6.009 -0.250 1.00 0.00 C ATOM 860 NE2 HIS A 58 -0.313 -5.006 -0.942 1.00 0.00 N ATOM 0 H HIS A 58 -1.734 -3.653 4.879 1.00 0.00 H new ATOM 0 HA HIS A 58 0.232 -5.114 3.691 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -2.083 -4.749 2.846 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -1.648 -3.120 2.366 1.00 0.00 H new ATOM 0 HD1 HIS A 58 0.199 -6.435 1.790 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -1.446 -3.227 -0.343 1.00 0.00 H new ATOM 0 HE1 HIS A 58 0.746 -6.845 -0.659 1.00 0.00 H new ATOM 869 N PHE A 59 0.802 -1.891 3.349 1.00 0.00 N ATOM 870 CA PHE A 59 1.813 -0.910 2.974 1.00 0.00 C ATOM 871 C PHE A 59 3.121 -1.166 3.718 1.00 0.00 C ATOM 872 O PHE A 59 4.178 -1.318 3.105 1.00 0.00 O ATOM 873 CB PHE A 59 1.315 0.506 3.269 1.00 0.00 C ATOM 874 CG PHE A 59 2.421 1.511 3.424 1.00 0.00 C ATOM 875 CD1 PHE A 59 3.160 1.921 2.326 1.00 0.00 C ATOM 876 CD2 PHE A 59 2.721 2.045 4.667 1.00 0.00 C ATOM 877 CE1 PHE A 59 4.178 2.846 2.465 1.00 0.00 C ATOM 878 CE2 PHE A 59 3.737 2.970 4.811 1.00 0.00 C ATOM 879 CZ PHE A 59 4.468 3.370 3.709 1.00 0.00 C ATOM 0 H PHE A 59 -0.029 -1.494 3.788 1.00 0.00 H new ATOM 0 HA PHE A 59 1.998 -1.007 1.904 1.00 0.00 H new ATOM 0 HB2 PHE A 59 0.655 0.826 2.463 1.00 0.00 H new ATOM 0 HB3 PHE A 59 0.719 0.490 4.181 1.00 0.00 H new ATOM 0 HD1 PHE A 59 2.938 1.513 1.351 1.00 0.00 H new ATOM 0 HD2 PHE A 59 2.154 1.735 5.533 1.00 0.00 H new ATOM 0 HE1 PHE A 59 4.746 3.158 1.601 1.00 0.00 H new ATOM 0 HE2 PHE A 59 3.960 3.380 5.785 1.00 0.00 H new ATOM 0 HZ PHE A 59 5.264 4.091 3.820 1.00 0.00 H new ATOM 889 N LEU A 60 3.041 -1.213 5.043 1.00 0.00 N ATOM 890 CA LEU A 60 4.217 -1.451 5.873 1.00 0.00 C ATOM 891 C LEU A 60 4.930 -2.733 5.453 1.00 0.00 C ATOM 892 O LEU A 60 6.157 -2.819 5.509 1.00 0.00 O ATOM 893 CB LEU A 60 3.818 -1.535 7.347 1.00 0.00 C ATOM 894 CG LEU A 60 3.127 -0.300 7.927 1.00 0.00 C ATOM 895 CD1 LEU A 60 2.342 -0.665 9.177 1.00 0.00 C ATOM 896 CD2 LEU A 60 4.148 0.786 8.234 1.00 0.00 C ATOM 0 H LEU A 60 2.174 -1.089 5.566 1.00 0.00 H new ATOM 0 HA LEU A 60 4.902 -0.614 5.736 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.156 -2.391 7.475 1.00 0.00 H new ATOM 0 HB3 LEU A 60 4.714 -1.735 7.934 1.00 0.00 H new ATOM 0 HG LEU A 60 2.428 0.085 7.184 1.00 0.00 H new ATOM 0 HD11 LEU A 60 1.857 0.226 9.575 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.585 -1.409 8.927 1.00 0.00 H new ATOM 0 HD13 LEU A 60 3.020 -1.075 9.926 1.00 0.00 H new ATOM 0 HD21 LEU A 60 3.639 1.658 8.646 1.00 0.00 H new ATOM 0 HD22 LEU A 60 4.871 0.411 8.959 1.00 0.00 H new ATOM 0 HD23 LEU A 60 4.666 1.068 7.317 1.00 0.00 H new ATOM 908 N ARG A 61 4.153 -3.725 5.031 1.00 0.00 N ATOM 909 CA ARG A 61 4.709 -5.001 4.601 1.00 0.00 C ATOM 910 C ARG A 61 5.581 -4.824 3.361 1.00 0.00 C ATOM 911 O ARG A 61 6.662 -5.407 3.261 1.00 0.00 O ATOM 912 CB ARG A 61 3.587 -5.999 4.310 1.00 0.00 C ATOM 913 CG ARG A 61 2.710 -6.298 5.515 1.00 0.00 C ATOM 914 CD ARG A 61 1.670 -7.361 5.197 1.00 0.00 C ATOM 915 NE ARG A 61 2.284 -8.633 4.825 1.00 0.00 N ATOM 916 CZ ARG A 61 2.683 -8.924 3.592 1.00 0.00 C ATOM 917 NH1 ARG A 61 2.535 -8.037 2.618 1.00 0.00 N ATOM 918 NH2 ARG A 61 3.233 -10.103 3.333 1.00 0.00 N ATOM 0 H ARG A 61 3.136 -3.669 4.978 1.00 0.00 H new ATOM 0 HA ARG A 61 5.330 -5.388 5.409 1.00 0.00 H new ATOM 0 HB2 ARG A 61 2.964 -5.608 3.506 1.00 0.00 H new ATOM 0 HB3 ARG A 61 4.025 -6.930 3.950 1.00 0.00 H new ATOM 0 HG2 ARG A 61 3.332 -6.633 6.345 1.00 0.00 H new ATOM 0 HG3 ARG A 61 2.211 -5.385 5.839 1.00 0.00 H new ATOM 0 HD2 ARG A 61 1.026 -7.509 6.064 1.00 0.00 H new ATOM 0 HD3 ARG A 61 1.034 -7.014 4.383 1.00 0.00 H new ATOM 0 HE ARG A 61 2.413 -9.337 5.552 1.00 0.00 H new ATOM 0 HH11 ARG A 61 2.114 -7.129 2.815 1.00 0.00 H new ATOM 0 HH12 ARG A 61 2.842 -8.263 1.672 1.00 0.00 H new ATOM 0 HH21 ARG A 61 3.350 -10.787 4.081 1.00 0.00 H new ATOM 0 HH22 ARG A 61 3.539 -10.326 2.386 1.00 0.00 H new ATOM 932 N LEU A 62 5.105 -4.017 2.420 1.00 0.00 N ATOM 933 CA LEU A 62 5.840 -3.763 1.186 1.00 0.00 C ATOM 934 C LEU A 62 7.337 -3.650 1.457 1.00 0.00 C ATOM 935 O LEU A 62 7.768 -3.153 2.498 1.00 0.00 O ATOM 936 CB LEU A 62 5.333 -2.483 0.521 1.00 0.00 C ATOM 937 CG LEU A 62 3.841 -2.446 0.185 1.00 0.00 C ATOM 938 CD1 LEU A 62 3.494 -1.170 -0.566 1.00 0.00 C ATOM 939 CD2 LEU A 62 3.448 -3.670 -0.628 1.00 0.00 C ATOM 0 H LEU A 62 4.213 -3.527 2.488 1.00 0.00 H new ATOM 0 HA LEU A 62 5.674 -4.605 0.514 1.00 0.00 H new ATOM 0 HB2 LEU A 62 5.558 -1.643 1.178 1.00 0.00 H new ATOM 0 HB3 LEU A 62 5.896 -2.328 -0.399 1.00 0.00 H new ATOM 0 HG LEU A 62 3.277 -2.458 1.118 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.429 -1.162 -0.796 1.00 0.00 H new ATOM 0 HD12 LEU A 62 3.738 -0.306 0.052 1.00 0.00 H new ATOM 0 HD13 LEU A 62 4.066 -1.126 -1.493 1.00 0.00 H new ATOM 0 HD21 LEU A 62 2.383 -3.627 -0.858 1.00 0.00 H new ATOM 0 HD22 LEU A 62 4.019 -3.689 -1.556 1.00 0.00 H new ATOM 0 HD23 LEU A 62 3.659 -4.572 -0.053 1.00 0.00 H new ATOM 951 N PRO A 63 8.149 -4.121 0.500 1.00 0.00 N ATOM 952 CA PRO A 63 9.610 -4.081 0.611 1.00 0.00 C ATOM 953 C PRO A 63 10.161 -2.662 0.518 1.00 0.00 C ATOM 954 O PRO A 63 9.857 -1.929 -0.425 1.00 0.00 O ATOM 955 CB PRO A 63 10.080 -4.916 -0.582 1.00 0.00 C ATOM 956 CG PRO A 63 8.971 -4.821 -1.572 1.00 0.00 C ATOM 957 CD PRO A 63 7.704 -4.727 -0.766 1.00 0.00 C ATOM 0 HA PRO A 63 9.955 -4.457 1.574 1.00 0.00 H new ATOM 0 HB2 PRO A 63 11.012 -4.529 -0.993 1.00 0.00 H new ATOM 0 HB3 PRO A 63 10.265 -5.951 -0.293 1.00 0.00 H new ATOM 0 HG2 PRO A 63 9.093 -3.947 -2.212 1.00 0.00 H new ATOM 0 HG3 PRO A 63 8.955 -5.694 -2.225 1.00 0.00 H new ATOM 0 HD2 PRO A 63 6.955 -4.112 -1.265 1.00 0.00 H new ATOM 0 HD3 PRO A 63 7.256 -5.708 -0.606 1.00 0.00 H new ATOM 965 N ILE A 64 10.971 -2.281 1.499 1.00 0.00 N ATOM 966 CA ILE A 64 11.565 -0.950 1.525 1.00 0.00 C ATOM 967 C ILE A 64 12.931 -0.943 0.848 1.00 0.00 C ATOM 968 O ILE A 64 13.682 -1.914 0.936 1.00 0.00 O ATOM 969 CB ILE A 64 11.716 -0.429 2.967 1.00 0.00 C ATOM 970 CG1 ILE A 64 12.590 -1.381 3.786 1.00 0.00 C ATOM 971 CG2 ILE A 64 10.350 -0.263 3.616 1.00 0.00 C ATOM 972 CD1 ILE A 64 13.260 -0.718 4.969 1.00 0.00 C ATOM 0 H ILE A 64 11.231 -2.875 2.286 1.00 0.00 H new ATOM 0 HA ILE A 64 10.889 -0.293 0.978 1.00 0.00 H new ATOM 0 HB ILE A 64 12.202 0.546 2.937 1.00 0.00 H new ATOM 0 HG12 ILE A 64 11.977 -2.208 4.143 1.00 0.00 H new ATOM 0 HG13 ILE A 64 13.355 -1.808 3.137 1.00 0.00 H new ATOM 0 HG21 ILE A 64 10.473 0.106 4.634 1.00 0.00 H new ATOM 0 HG22 ILE A 64 9.758 0.450 3.041 1.00 0.00 H new ATOM 0 HG23 ILE A 64 9.838 -1.225 3.638 1.00 0.00 H new ATOM 0 HD11 ILE A 64 13.863 -1.452 5.504 1.00 0.00 H new ATOM 0 HD12 ILE A 64 13.900 0.092 4.618 1.00 0.00 H new ATOM 0 HD13 ILE A 64 12.500 -0.315 5.639 1.00 0.00 H new ATOM 984 N GLU A 65 13.246 0.158 0.174 1.00 0.00 N ATOM 985 CA GLU A 65 14.523 0.291 -0.517 1.00 0.00 C ATOM 986 C GLU A 65 15.589 0.861 0.414 1.00 0.00 C ATOM 987 O GLU A 65 15.474 1.991 0.888 1.00 0.00 O ATOM 988 CB GLU A 65 14.372 1.188 -1.747 1.00 0.00 C ATOM 989 CG GLU A 65 15.576 1.159 -2.674 1.00 0.00 C ATOM 990 CD GLU A 65 15.896 -0.237 -3.171 1.00 0.00 C ATOM 991 OE1 GLU A 65 14.954 -1.038 -3.339 1.00 0.00 O ATOM 992 OE2 GLU A 65 17.091 -0.528 -3.392 1.00 0.00 O ATOM 0 H GLU A 65 12.635 0.971 0.092 1.00 0.00 H new ATOM 0 HA GLU A 65 14.838 -0.702 -0.837 1.00 0.00 H new ATOM 0 HB2 GLU A 65 13.488 0.880 -2.304 1.00 0.00 H new ATOM 0 HB3 GLU A 65 14.201 2.213 -1.419 1.00 0.00 H new ATOM 0 HG2 GLU A 65 15.388 1.810 -3.528 1.00 0.00 H new ATOM 0 HG3 GLU A 65 16.443 1.562 -2.150 1.00 0.00 H new ATOM 999 N ASP A 66 16.626 0.071 0.671 1.00 0.00 N ATOM 1000 CA ASP A 66 17.713 0.496 1.545 1.00 0.00 C ATOM 1001 C ASP A 66 18.452 1.691 0.951 1.00 0.00 C ATOM 1002 O ASP A 66 18.628 1.802 -0.263 1.00 0.00 O ATOM 1003 CB ASP A 66 18.689 -0.659 1.778 1.00 0.00 C ATOM 1004 CG ASP A 66 17.987 -1.999 1.878 1.00 0.00 C ATOM 1005 OD1 ASP A 66 17.528 -2.507 0.834 1.00 0.00 O ATOM 1006 OD2 ASP A 66 17.896 -2.539 3.001 1.00 0.00 O ATOM 0 H ASP A 66 16.737 -0.867 0.286 1.00 0.00 H new ATOM 0 HA ASP A 66 17.283 0.796 2.500 1.00 0.00 H new ATOM 0 HB2 ASP A 66 19.411 -0.691 0.962 1.00 0.00 H new ATOM 0 HB3 ASP A 66 19.251 -0.477 2.694 1.00 0.00 H new ATOM 1011 N PRO A 67 18.895 2.607 1.824 1.00 0.00 N ATOM 1012 CA PRO A 67 19.621 3.811 1.409 1.00 0.00 C ATOM 1013 C PRO A 67 21.017 3.493 0.885 1.00 0.00 C ATOM 1014 O PRO A 67 21.623 4.298 0.177 1.00 0.00 O ATOM 1015 CB PRO A 67 19.708 4.634 2.696 1.00 0.00 C ATOM 1016 CG PRO A 67 19.619 3.631 3.794 1.00 0.00 C ATOM 1017 CD PRO A 67 18.721 2.538 3.285 1.00 0.00 C ATOM 0 HA PRO A 67 19.120 4.327 0.590 1.00 0.00 H new ATOM 0 HB2 PRO A 67 20.642 5.193 2.746 1.00 0.00 H new ATOM 0 HB3 PRO A 67 18.898 5.361 2.757 1.00 0.00 H new ATOM 0 HG2 PRO A 67 20.605 3.240 4.046 1.00 0.00 H new ATOM 0 HG3 PRO A 67 19.212 4.080 4.700 1.00 0.00 H new ATOM 0 HD2 PRO A 67 19.011 1.564 3.679 1.00 0.00 H new ATOM 0 HD3 PRO A 67 17.683 2.703 3.574 1.00 0.00 H new ATOM 1025 N TYR A 68 21.522 2.315 1.236 1.00 0.00 N ATOM 1026 CA TYR A 68 22.848 1.893 0.801 1.00 0.00 C ATOM 1027 C TYR A 68 22.759 1.001 -0.433 1.00 0.00 C ATOM 1028 O TYR A 68 23.573 0.095 -0.620 1.00 0.00 O ATOM 1029 CB TYR A 68 23.565 1.149 1.930 1.00 0.00 C ATOM 1030 CG TYR A 68 23.240 -0.326 1.985 1.00 0.00 C ATOM 1031 CD1 TYR A 68 22.002 -0.769 2.434 1.00 0.00 C ATOM 1032 CD2 TYR A 68 24.171 -1.278 1.587 1.00 0.00 C ATOM 1033 CE1 TYR A 68 21.701 -2.116 2.487 1.00 0.00 C ATOM 1034 CE2 TYR A 68 23.879 -2.627 1.635 1.00 0.00 C ATOM 1035 CZ TYR A 68 22.643 -3.042 2.086 1.00 0.00 C ATOM 1036 OH TYR A 68 22.346 -4.384 2.135 1.00 0.00 O ATOM 0 H TYR A 68 21.033 1.636 1.820 1.00 0.00 H new ATOM 0 HA TYR A 68 23.418 2.785 0.542 1.00 0.00 H new ATOM 0 HB2 TYR A 68 24.641 1.271 1.808 1.00 0.00 H new ATOM 0 HB3 TYR A 68 23.298 1.607 2.882 1.00 0.00 H new ATOM 0 HD1 TYR A 68 21.262 -0.047 2.747 1.00 0.00 H new ATOM 0 HD2 TYR A 68 25.140 -0.957 1.234 1.00 0.00 H new ATOM 0 HE1 TYR A 68 20.734 -2.443 2.840 1.00 0.00 H new ATOM 0 HE2 TYR A 68 24.614 -3.353 1.321 1.00 0.00 H new ATOM 0 HH TYR A 68 23.116 -4.901 1.817 1.00 0.00 H new ATOM 1046 N LEU A 69 21.764 1.264 -1.274 1.00 0.00 N ATOM 1047 CA LEU A 69 21.567 0.486 -2.492 1.00 0.00 C ATOM 1048 C LEU A 69 21.391 1.402 -3.699 1.00 0.00 C ATOM 1049 O LEU A 69 20.462 2.208 -3.749 1.00 0.00 O ATOM 1050 CB LEU A 69 20.347 -0.425 -2.347 1.00 0.00 C ATOM 1051 CG LEU A 69 20.369 -1.712 -3.172 1.00 0.00 C ATOM 1052 CD1 LEU A 69 20.135 -1.407 -4.644 1.00 0.00 C ATOM 1053 CD2 LEU A 69 21.688 -2.446 -2.981 1.00 0.00 C ATOM 0 H LEU A 69 21.082 2.009 -1.135 1.00 0.00 H new ATOM 0 HA LEU A 69 22.454 -0.128 -2.650 1.00 0.00 H new ATOM 0 HB2 LEU A 69 20.241 -0.693 -1.296 1.00 0.00 H new ATOM 0 HB3 LEU A 69 19.459 0.144 -2.622 1.00 0.00 H new ATOM 0 HG LEU A 69 19.563 -2.358 -2.823 1.00 0.00 H new ATOM 0 HD11 LEU A 69 20.154 -2.335 -5.215 1.00 0.00 H new ATOM 0 HD12 LEU A 69 19.165 -0.926 -4.766 1.00 0.00 H new ATOM 0 HD13 LEU A 69 20.918 -0.741 -5.007 1.00 0.00 H new ATOM 0 HD21 LEU A 69 21.685 -3.359 -3.576 1.00 0.00 H new ATOM 0 HD22 LEU A 69 22.510 -1.806 -3.302 1.00 0.00 H new ATOM 0 HD23 LEU A 69 21.815 -2.699 -1.928 1.00 0.00 H new ATOM 1065 N GLU A 70 22.288 1.270 -4.672 1.00 0.00 N ATOM 1066 CA GLU A 70 22.231 2.085 -5.879 1.00 0.00 C ATOM 1067 C GLU A 70 20.883 1.929 -6.577 1.00 0.00 C ATOM 1068 O GLU A 70 20.436 0.814 -6.845 1.00 0.00 O ATOM 1069 CB GLU A 70 23.360 1.699 -6.836 1.00 0.00 C ATOM 1070 CG GLU A 70 24.653 2.459 -6.590 1.00 0.00 C ATOM 1071 CD GLU A 70 25.325 2.062 -5.290 1.00 0.00 C ATOM 1072 OE1 GLU A 70 25.295 0.861 -4.949 1.00 0.00 O ATOM 1073 OE2 GLU A 70 25.881 2.952 -4.614 1.00 0.00 O ATOM 0 H GLU A 70 23.062 0.606 -4.647 1.00 0.00 H new ATOM 0 HA GLU A 70 22.352 3.128 -5.588 1.00 0.00 H new ATOM 0 HB2 GLU A 70 23.553 0.630 -6.744 1.00 0.00 H new ATOM 0 HB3 GLU A 70 23.033 1.877 -7.861 1.00 0.00 H new ATOM 0 HG2 GLU A 70 25.338 2.280 -7.418 1.00 0.00 H new ATOM 0 HG3 GLU A 70 24.444 3.529 -6.575 1.00 0.00 H new ATOM 1080 N ASN A 71 20.240 3.055 -6.868 1.00 0.00 N ATOM 1081 CA ASN A 71 18.942 3.044 -7.534 1.00 0.00 C ATOM 1082 C ASN A 71 19.063 2.497 -8.953 1.00 0.00 C ATOM 1083 O ASN A 71 19.885 2.965 -9.741 1.00 0.00 O ATOM 1084 CB ASN A 71 18.351 4.455 -7.567 1.00 0.00 C ATOM 1085 CG ASN A 71 17.383 4.649 -8.719 1.00 0.00 C ATOM 1086 OD1 ASN A 71 16.635 3.739 -9.075 1.00 0.00 O ATOM 1087 ND2 ASN A 71 17.394 5.840 -9.306 1.00 0.00 N ATOM 0 H ASN A 71 20.596 3.986 -6.653 1.00 0.00 H new ATOM 0 HA ASN A 71 18.276 2.392 -6.968 1.00 0.00 H new ATOM 0 HB2 ASN A 71 17.837 4.653 -6.626 1.00 0.00 H new ATOM 0 HB3 ASN A 71 19.159 5.183 -7.648 1.00 0.00 H new ATOM 0 HD21 ASN A 71 16.765 6.030 -10.086 1.00 0.00 H new ATOM 0 HD22 ASN A 71 18.032 6.565 -8.977 1.00 0.00 H new ATOM 1094 N SER A 72 18.238 1.505 -9.272 1.00 0.00 N ATOM 1095 CA SER A 72 18.255 0.893 -10.595 1.00 0.00 C ATOM 1096 C SER A 72 17.417 1.704 -11.580 1.00 0.00 C ATOM 1097 O SER A 72 17.913 2.145 -12.616 1.00 0.00 O ATOM 1098 CB SER A 72 17.729 -0.542 -10.523 1.00 0.00 C ATOM 1099 OG SER A 72 18.763 -1.446 -10.172 1.00 0.00 O ATOM 0 H SER A 72 17.550 1.108 -8.632 1.00 0.00 H new ATOM 0 HA SER A 72 19.286 0.878 -10.948 1.00 0.00 H new ATOM 0 HB2 SER A 72 16.925 -0.602 -9.790 1.00 0.00 H new ATOM 0 HB3 SER A 72 17.304 -0.826 -11.486 1.00 0.00 H new ATOM 0 HG SER A 72 18.402 -2.356 -10.131 1.00 0.00 H new ATOM 1105 N ASP A 73 16.145 1.895 -11.248 1.00 0.00 N ATOM 1106 CA ASP A 73 15.238 2.653 -12.101 1.00 0.00 C ATOM 1107 C ASP A 73 14.214 3.413 -11.264 1.00 0.00 C ATOM 1108 O ASP A 73 13.614 2.858 -10.344 1.00 0.00 O ATOM 1109 CB ASP A 73 14.524 1.719 -13.079 1.00 0.00 C ATOM 1110 CG ASP A 73 13.257 2.332 -13.645 1.00 0.00 C ATOM 1111 OD1 ASP A 73 13.224 3.567 -13.824 1.00 0.00 O ATOM 1112 OD2 ASP A 73 12.300 1.575 -13.909 1.00 0.00 O ATOM 0 H ASP A 73 15.719 1.535 -10.394 1.00 0.00 H new ATOM 0 HA ASP A 73 15.827 3.375 -12.666 1.00 0.00 H new ATOM 0 HB2 ASP A 73 15.200 1.469 -13.897 1.00 0.00 H new ATOM 0 HB3 ASP A 73 14.278 0.786 -12.572 1.00 0.00 H new ATOM 1117 N SER A 74 14.019 4.687 -11.590 1.00 0.00 N ATOM 1118 CA SER A 74 13.071 5.525 -10.866 1.00 0.00 C ATOM 1119 C SER A 74 12.281 6.408 -11.828 1.00 0.00 C ATOM 1120 O SER A 74 12.521 6.401 -13.034 1.00 0.00 O ATOM 1121 CB SER A 74 13.805 6.396 -9.843 1.00 0.00 C ATOM 1122 OG SER A 74 14.512 5.598 -8.909 1.00 0.00 O ATOM 0 H SER A 74 14.505 5.161 -12.351 1.00 0.00 H new ATOM 0 HA SER A 74 12.373 4.872 -10.343 1.00 0.00 H new ATOM 0 HB2 SER A 74 14.499 7.060 -10.358 1.00 0.00 H new ATOM 0 HB3 SER A 74 13.089 7.028 -9.318 1.00 0.00 H new ATOM 0 HG SER A 74 14.974 6.177 -8.267 1.00 0.00 H new ATOM 1128 N GLY A 75 11.335 7.167 -11.283 1.00 0.00 N ATOM 1129 CA GLY A 75 10.523 8.045 -12.105 1.00 0.00 C ATOM 1130 C GLY A 75 11.179 9.391 -12.340 1.00 0.00 C ATOM 1131 O GLY A 75 11.901 9.910 -11.488 1.00 0.00 O ATOM 0 H GLY A 75 11.117 7.189 -10.287 1.00 0.00 H new ATOM 0 HA2 GLY A 75 10.332 7.565 -13.065 1.00 0.00 H new ATOM 0 HA3 GLY A 75 9.556 8.195 -11.625 1.00 0.00 H new ATOM 1135 N PRO A 76 10.930 9.978 -13.520 1.00 0.00 N ATOM 1136 CA PRO A 76 11.493 11.279 -13.892 1.00 0.00 C ATOM 1137 C PRO A 76 10.891 12.424 -13.085 1.00 0.00 C ATOM 1138 O PRO A 76 11.576 13.391 -12.754 1.00 0.00 O ATOM 1139 CB PRO A 76 11.125 11.415 -15.371 1.00 0.00 C ATOM 1140 CG PRO A 76 9.914 10.563 -15.540 1.00 0.00 C ATOM 1141 CD PRO A 76 10.079 9.416 -14.582 1.00 0.00 C ATOM 0 HA PRO A 76 12.565 11.329 -13.699 1.00 0.00 H new ATOM 0 HB2 PRO A 76 10.919 12.453 -15.634 1.00 0.00 H new ATOM 0 HB3 PRO A 76 11.938 11.079 -16.014 1.00 0.00 H new ATOM 0 HG2 PRO A 76 9.007 11.126 -15.322 1.00 0.00 H new ATOM 0 HG3 PRO A 76 9.828 10.205 -16.566 1.00 0.00 H new ATOM 0 HD2 PRO A 76 9.119 9.078 -14.191 1.00 0.00 H new ATOM 0 HD3 PRO A 76 10.549 8.557 -15.061 1.00 0.00 H new ATOM 1149 N SER A 77 9.604 12.307 -12.771 1.00 0.00 N ATOM 1150 CA SER A 77 8.908 13.334 -12.005 1.00 0.00 C ATOM 1151 C SER A 77 8.643 12.862 -10.578 1.00 0.00 C ATOM 1152 O SER A 77 8.854 13.604 -9.618 1.00 0.00 O ATOM 1153 CB SER A 77 7.588 13.702 -12.686 1.00 0.00 C ATOM 1154 OG SER A 77 6.899 14.703 -11.957 1.00 0.00 O ATOM 0 H SER A 77 9.023 11.511 -13.035 1.00 0.00 H new ATOM 0 HA SER A 77 9.546 14.217 -11.965 1.00 0.00 H new ATOM 0 HB2 SER A 77 7.784 14.055 -13.698 1.00 0.00 H new ATOM 0 HB3 SER A 77 6.961 12.815 -12.773 1.00 0.00 H new ATOM 0 HG SER A 77 6.060 14.921 -12.414 1.00 0.00 H new ATOM 1160 N SER A 78 8.180 11.624 -10.448 1.00 0.00 N ATOM 1161 CA SER A 78 7.882 11.053 -9.140 1.00 0.00 C ATOM 1162 C SER A 78 8.924 10.008 -8.753 1.00 0.00 C ATOM 1163 O SER A 78 9.743 9.598 -9.574 1.00 0.00 O ATOM 1164 CB SER A 78 6.487 10.423 -9.140 1.00 0.00 C ATOM 1165 OG SER A 78 6.514 9.125 -9.707 1.00 0.00 O ATOM 0 H SER A 78 8.003 10.997 -11.232 1.00 0.00 H new ATOM 0 HA SER A 78 7.909 11.858 -8.405 1.00 0.00 H new ATOM 0 HB2 SER A 78 6.109 10.370 -8.119 1.00 0.00 H new ATOM 0 HB3 SER A 78 5.799 11.055 -9.702 1.00 0.00 H new ATOM 0 HG SER A 78 5.611 8.743 -9.694 1.00 0.00 H new ATOM 1171 N GLY A 79 8.885 9.580 -7.495 1.00 0.00 N ATOM 1172 CA GLY A 79 9.830 8.586 -7.020 1.00 0.00 C ATOM 1173 C GLY A 79 10.650 9.081 -5.844 1.00 0.00 C ATOM 1174 O GLY A 79 11.789 8.658 -5.652 1.00 0.00 O ATOM 0 H GLY A 79 8.216 9.904 -6.796 1.00 0.00 H new ATOM 0 HA2 GLY A 79 9.290 7.685 -6.729 1.00 0.00 H new ATOM 0 HA3 GLY A 79 10.499 8.307 -7.834 1.00 0.00 H new TER 1178 GLY A 79