USER MOD reduce.3.24.130724 H: found=0, std=0, add=741, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 740 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 68 THR OG1 : rot 180:sc= -0.961 USER MOD Set 1.2: A 71 GLN : amide:sc= -1.32 K(o=-2.3,f=-3!) USER MOD Set 2.1: A 40 SER OG : rot 130:sc= -0.74 USER MOD Set 2.2: A 63 ASN : amide:sc= -0.581 X(o=-1.3,f=-1.4) 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 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 51:sc= 0.801 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= -0.28 X(o=-0.28,f=-0.03) USER MOD Single : A 10 GLN : amide:sc= -0.97 K(o=-0.97,f=-6.4!) USER MOD Single : A 11 GLN : amide:sc= -0.16 K(o=-0.16,f=-1.8!) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 CYS SG : rot 180:sc= 0.0197 USER MOD Single : A 28 MET CE :methyl 160:sc= -0.922 (180deg=-1.6!) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 MET CE :methyl -178:sc= -0.488 (180deg=-0.53) USER MOD Single : A 33 CYS SG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot -112:sc= 0.208 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.0109 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot -45:sc= -1.15 USER MOD Single : A 53 HIS : no HE2:sc= -1.84 K(o=-1.8,f=-3!) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -0.192 K(o=-0.19,f=-1.5!) USER MOD Single : A 59 THR OG1 : rot -150:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= -0.129 USER MOD Single : A 69 MET CE :methyl -114:sc= -1.79 (180deg=-3.02) USER MOD Single : A 75 ASN : amide:sc= -3.69 K(o=-3.7,f=-4.9!) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0.0731 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 GLN : amide:sc= -0.255 K(o=-0.26,f=-2.4!) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=-0.029) USER MOD Single : A 92 GLN : amide:sc= -0.0105 K(o=-0.01,f=-1.3) USER MOD Single : A 93 SER OG : rot 41:sc= 0.555 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 8.730 39.477 25.543 1.00 0.00 N ATOM 2 CA GLY A 1 8.752 38.906 24.167 1.00 0.00 C ATOM 3 C GLY A 1 8.426 37.425 24.149 1.00 0.00 C ATOM 4 O GLY A 1 8.910 36.666 24.989 1.00 0.00 O ATOM 0 H1 GLY A 1 8.959 40.491 25.502 1.00 0.00 H new ATOM 0 H2 GLY A 1 7.784 39.352 25.956 1.00 0.00 H new ATOM 0 H3 GLY A 1 9.432 38.987 26.133 1.00 0.00 H new ATOM 0 HA2 GLY A 1 8.035 39.440 23.544 1.00 0.00 H new ATOM 0 HA3 GLY A 1 9.737 39.064 23.727 1.00 0.00 H new ATOM 10 N SER A 2 7.605 37.014 23.190 1.00 0.00 N ATOM 11 CA SER A 2 7.215 35.614 23.065 1.00 0.00 C ATOM 12 C SER A 2 7.944 34.947 21.903 1.00 0.00 C ATOM 13 O SER A 2 8.755 35.576 21.223 1.00 0.00 O ATOM 14 CB SER A 2 5.703 35.500 22.865 1.00 0.00 C ATOM 15 OG SER A 2 4.999 36.185 23.887 1.00 0.00 O ATOM 0 H SER A 2 7.196 37.630 22.487 1.00 0.00 H new ATOM 0 HA SER A 2 7.493 35.102 23.987 1.00 0.00 H new ATOM 0 HB2 SER A 2 5.430 35.911 21.893 1.00 0.00 H new ATOM 0 HB3 SER A 2 5.412 34.450 22.860 1.00 0.00 H new ATOM 0 HG SER A 2 4.035 36.098 23.735 1.00 0.00 H new ATOM 21 N SER A 3 7.652 33.670 21.682 1.00 0.00 N ATOM 22 CA SER A 3 8.280 32.917 20.603 1.00 0.00 C ATOM 23 C SER A 3 9.793 32.860 20.788 1.00 0.00 C ATOM 24 O SER A 3 10.349 33.544 21.648 1.00 0.00 O ATOM 25 CB SER A 3 7.944 33.548 19.250 1.00 0.00 C ATOM 26 OG SER A 3 7.750 32.554 18.258 1.00 0.00 O ATOM 0 H SER A 3 6.984 33.134 22.236 1.00 0.00 H new ATOM 0 HA SER A 3 7.890 31.899 20.629 1.00 0.00 H new ATOM 0 HB2 SER A 3 7.043 34.155 19.342 1.00 0.00 H new ATOM 0 HB3 SER A 3 8.750 34.217 18.947 1.00 0.00 H new ATOM 0 HG SER A 3 7.535 32.982 17.403 1.00 0.00 H new ATOM 32 N GLY A 4 10.454 32.041 19.976 1.00 0.00 N ATOM 33 CA GLY A 4 11.896 31.911 20.067 1.00 0.00 C ATOM 34 C GLY A 4 12.482 31.133 18.905 1.00 0.00 C ATOM 35 O GLY A 4 13.146 31.703 18.040 1.00 0.00 O ATOM 0 H GLY A 4 10.016 31.465 19.257 1.00 0.00 H new ATOM 0 HA2 GLY A 4 12.346 32.903 20.100 1.00 0.00 H new ATOM 0 HA3 GLY A 4 12.155 31.413 21.001 1.00 0.00 H new ATOM 39 N SER A 5 12.237 29.827 18.887 1.00 0.00 N ATOM 40 CA SER A 5 12.747 28.969 17.824 1.00 0.00 C ATOM 41 C SER A 5 12.161 27.564 17.932 1.00 0.00 C ATOM 42 O SER A 5 11.386 27.135 17.078 1.00 0.00 O ATOM 43 CB SER A 5 14.274 28.905 17.879 1.00 0.00 C ATOM 44 OG SER A 5 14.856 29.816 16.963 1.00 0.00 O ATOM 0 H SER A 5 11.689 29.340 19.596 1.00 0.00 H new ATOM 0 HA SER A 5 12.444 29.397 16.868 1.00 0.00 H new ATOM 0 HB2 SER A 5 14.614 29.133 18.889 1.00 0.00 H new ATOM 0 HB3 SER A 5 14.607 27.892 17.651 1.00 0.00 H new ATOM 0 HG SER A 5 14.465 30.705 17.093 1.00 0.00 H new ATOM 50 N SER A 6 12.540 26.851 18.988 1.00 0.00 N ATOM 51 CA SER A 6 12.052 25.494 19.209 1.00 0.00 C ATOM 52 C SER A 6 11.441 25.354 20.598 1.00 0.00 C ATOM 53 O SER A 6 12.087 25.651 21.604 1.00 0.00 O ATOM 54 CB SER A 6 13.190 24.487 19.035 1.00 0.00 C ATOM 55 OG SER A 6 14.203 25.001 18.188 1.00 0.00 O ATOM 0 H SER A 6 13.183 27.190 19.704 1.00 0.00 H new ATOM 0 HA SER A 6 11.277 25.288 18.470 1.00 0.00 H new ATOM 0 HB2 SER A 6 13.615 24.243 20.008 1.00 0.00 H new ATOM 0 HB3 SER A 6 12.798 23.560 18.617 1.00 0.00 H new ATOM 0 HG SER A 6 14.919 24.338 18.095 1.00 0.00 H new ATOM 61 N GLY A 7 10.193 24.901 20.648 1.00 0.00 N ATOM 62 CA GLY A 7 9.515 24.731 21.920 1.00 0.00 C ATOM 63 C GLY A 7 8.407 25.745 22.127 1.00 0.00 C ATOM 64 O GLY A 7 8.394 26.464 23.125 1.00 0.00 O ATOM 0 H GLY A 7 9.638 24.648 19.830 1.00 0.00 H new ATOM 0 HA2 GLY A 7 9.098 23.725 21.974 1.00 0.00 H new ATOM 0 HA3 GLY A 7 10.240 24.819 22.729 1.00 0.00 H new ATOM 68 N LEU A 8 7.476 25.802 21.181 1.00 0.00 N ATOM 69 CA LEU A 8 6.360 26.736 21.263 1.00 0.00 C ATOM 70 C LEU A 8 5.192 26.268 20.400 1.00 0.00 C ATOM 71 O LEU A 8 4.040 26.288 20.834 1.00 0.00 O ATOM 72 CB LEU A 8 6.803 28.134 20.825 1.00 0.00 C ATOM 73 CG LEU A 8 7.626 28.178 19.535 1.00 0.00 C ATOM 74 CD1 LEU A 8 6.735 28.488 18.344 1.00 0.00 C ATOM 75 CD2 LEU A 8 8.743 29.206 19.651 1.00 0.00 C ATOM 0 H LEU A 8 7.472 25.212 20.349 1.00 0.00 H new ATOM 0 HA LEU A 8 6.029 26.775 22.301 1.00 0.00 H new ATOM 0 HB2 LEU A 8 5.917 28.755 20.694 1.00 0.00 H new ATOM 0 HB3 LEU A 8 7.390 28.581 21.628 1.00 0.00 H new ATOM 0 HG LEU A 8 8.076 27.198 19.379 1.00 0.00 H new ATOM 0 HD11 LEU A 8 7.338 28.515 17.436 1.00 0.00 H new ATOM 0 HD12 LEU A 8 5.972 27.716 18.250 1.00 0.00 H new ATOM 0 HD13 LEU A 8 6.256 29.456 18.490 1.00 0.00 H new ATOM 0 HD21 LEU A 8 9.318 29.224 18.725 1.00 0.00 H new ATOM 0 HD22 LEU A 8 8.313 30.191 19.831 1.00 0.00 H new ATOM 0 HD23 LEU A 8 9.398 28.939 20.480 1.00 0.00 H new ATOM 87 N GLN A 9 5.497 25.846 19.177 1.00 0.00 N ATOM 88 CA GLN A 9 4.473 25.373 18.254 1.00 0.00 C ATOM 89 C GLN A 9 4.457 23.849 18.194 1.00 0.00 C ATOM 90 O GLN A 9 5.506 23.206 18.202 1.00 0.00 O ATOM 91 CB GLN A 9 4.710 25.949 16.858 1.00 0.00 C ATOM 92 CG GLN A 9 6.062 25.577 16.268 1.00 0.00 C ATOM 93 CD GLN A 9 5.946 24.924 14.905 1.00 0.00 C ATOM 94 OE1 GLN A 9 6.602 25.337 13.948 1.00 0.00 O ATOM 95 NE2 GLN A 9 5.110 23.897 14.810 1.00 0.00 N ATOM 0 H GLN A 9 6.446 25.822 18.803 1.00 0.00 H new ATOM 0 HA GLN A 9 3.504 25.714 18.619 1.00 0.00 H new ATOM 0 HB2 GLN A 9 3.923 25.598 16.191 1.00 0.00 H new ATOM 0 HB3 GLN A 9 4.629 27.035 16.903 1.00 0.00 H new ATOM 0 HG2 GLN A 9 6.677 26.473 16.186 1.00 0.00 H new ATOM 0 HG3 GLN A 9 6.577 24.899 16.949 1.00 0.00 H new ATOM 0 HE21 GLN A 9 4.586 23.588 15.629 1.00 0.00 H new ATOM 0 HE22 GLN A 9 4.991 23.417 13.918 1.00 0.00 H new ATOM 104 N GLN A 10 3.258 23.278 18.129 1.00 0.00 N ATOM 105 CA GLN A 10 3.104 21.829 18.065 1.00 0.00 C ATOM 106 C GLN A 10 2.094 21.437 16.990 1.00 0.00 C ATOM 107 O GLN A 10 1.007 20.945 17.294 1.00 0.00 O ATOM 108 CB GLN A 10 2.663 21.280 19.424 1.00 0.00 C ATOM 109 CG GLN A 10 3.529 21.753 20.580 1.00 0.00 C ATOM 110 CD GLN A 10 4.914 21.137 20.562 1.00 0.00 C ATOM 111 OE1 GLN A 10 5.456 20.835 19.499 1.00 0.00 O ATOM 112 NE2 GLN A 10 5.492 20.946 21.741 1.00 0.00 N ATOM 0 H GLN A 10 2.380 23.796 18.119 1.00 0.00 H new ATOM 0 HA GLN A 10 4.070 21.397 17.805 1.00 0.00 H new ATOM 0 HB2 GLN A 10 1.631 21.577 19.609 1.00 0.00 H new ATOM 0 HB3 GLN A 10 2.680 20.191 19.390 1.00 0.00 H new ATOM 0 HG2 GLN A 10 3.618 22.839 20.542 1.00 0.00 H new ATOM 0 HG3 GLN A 10 3.038 21.506 21.521 1.00 0.00 H new ATOM 0 HE21 GLN A 10 5.005 21.212 22.597 1.00 0.00 H new ATOM 0 HE22 GLN A 10 6.423 20.533 21.791 1.00 0.00 H new ATOM 121 N GLN A 11 2.460 21.661 15.732 1.00 0.00 N ATOM 122 CA GLN A 11 1.586 21.332 14.612 1.00 0.00 C ATOM 123 C GLN A 11 2.380 20.710 13.467 1.00 0.00 C ATOM 124 O GLN A 11 3.212 21.369 12.846 1.00 0.00 O ATOM 125 CB GLN A 11 0.859 22.586 14.121 1.00 0.00 C ATOM 126 CG GLN A 11 -0.038 23.220 15.172 1.00 0.00 C ATOM 127 CD GLN A 11 -0.224 24.709 14.958 1.00 0.00 C ATOM 128 OE1 GLN A 11 0.634 25.377 14.382 1.00 0.00 O ATOM 129 NE2 GLN A 11 -1.350 25.237 15.424 1.00 0.00 N ATOM 0 H GLN A 11 3.355 22.069 15.463 1.00 0.00 H new ATOM 0 HA GLN A 11 0.851 20.605 14.958 1.00 0.00 H new ATOM 0 HB2 GLN A 11 1.597 23.319 13.795 1.00 0.00 H new ATOM 0 HB3 GLN A 11 0.258 22.329 13.249 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -1.012 22.730 15.157 1.00 0.00 H new ATOM 0 HG3 GLN A 11 0.389 23.049 16.160 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -2.034 24.645 15.895 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -1.531 26.234 15.310 1.00 0.00 H new ATOM 138 N GLU A 12 2.115 19.435 13.195 1.00 0.00 N ATOM 139 CA GLU A 12 2.804 18.725 12.125 1.00 0.00 C ATOM 140 C GLU A 12 1.980 17.534 11.645 1.00 0.00 C ATOM 141 O GLU A 12 2.109 16.426 12.166 1.00 0.00 O ATOM 142 CB GLU A 12 4.178 18.251 12.601 1.00 0.00 C ATOM 143 CG GLU A 12 5.269 18.399 11.553 1.00 0.00 C ATOM 144 CD GLU A 12 5.969 19.741 11.627 1.00 0.00 C ATOM 145 OE1 GLU A 12 6.000 20.336 12.725 1.00 0.00 O ATOM 146 OE2 GLU A 12 6.487 20.200 10.587 1.00 0.00 O ATOM 0 H GLU A 12 1.429 18.874 13.701 1.00 0.00 H new ATOM 0 HA GLU A 12 2.935 19.414 11.290 1.00 0.00 H new ATOM 0 HB2 GLU A 12 4.460 18.816 13.490 1.00 0.00 H new ATOM 0 HB3 GLU A 12 4.110 17.204 12.897 1.00 0.00 H new ATOM 0 HG2 GLU A 12 6.002 17.603 11.682 1.00 0.00 H new ATOM 0 HG3 GLU A 12 4.834 18.274 10.561 1.00 0.00 H new ATOM 153 N GLU A 13 1.133 17.770 10.648 1.00 0.00 N ATOM 154 CA GLU A 13 0.287 16.717 10.097 1.00 0.00 C ATOM 155 C GLU A 13 1.102 15.763 9.230 1.00 0.00 C ATOM 156 O GLU A 13 2.205 16.093 8.793 1.00 0.00 O ATOM 157 CB GLU A 13 -0.851 17.324 9.276 1.00 0.00 C ATOM 158 CG GLU A 13 -2.073 17.684 10.105 1.00 0.00 C ATOM 159 CD GLU A 13 -2.057 19.126 10.574 1.00 0.00 C ATOM 160 OE1 GLU A 13 -0.965 19.625 10.917 1.00 0.00 O ATOM 161 OE2 GLU A 13 -3.135 19.755 10.598 1.00 0.00 O ATOM 0 H GLU A 13 1.014 18.681 10.205 1.00 0.00 H new ATOM 0 HA GLU A 13 -0.136 16.153 10.929 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -0.487 18.219 8.772 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -1.144 16.618 8.499 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -2.972 17.508 9.515 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -2.126 17.025 10.971 1.00 0.00 H new ATOM 168 N GLU A 14 0.553 14.577 8.986 1.00 0.00 N ATOM 169 CA GLU A 14 1.229 13.574 8.172 1.00 0.00 C ATOM 170 C GLU A 14 0.852 13.721 6.702 1.00 0.00 C ATOM 171 O GLU A 14 -0.234 13.319 6.286 1.00 0.00 O ATOM 172 CB GLU A 14 0.879 12.168 8.664 1.00 0.00 C ATOM 173 CG GLU A 14 2.066 11.219 8.684 1.00 0.00 C ATOM 174 CD GLU A 14 1.735 9.886 9.326 1.00 0.00 C ATOM 175 OE1 GLU A 14 0.799 9.212 8.847 1.00 0.00 O ATOM 176 OE2 GLU A 14 2.413 9.514 10.306 1.00 0.00 O ATOM 0 H GLU A 14 -0.358 14.287 9.341 1.00 0.00 H new ATOM 0 HA GLU A 14 2.304 13.728 8.268 1.00 0.00 H new ATOM 0 HB2 GLU A 14 0.462 12.237 9.669 1.00 0.00 H new ATOM 0 HB3 GLU A 14 0.101 11.751 8.024 1.00 0.00 H new ATOM 0 HG2 GLU A 14 2.410 11.051 7.663 1.00 0.00 H new ATOM 0 HG3 GLU A 14 2.890 11.684 9.225 1.00 0.00 H new ATOM 183 N THR A 15 1.757 14.301 5.919 1.00 0.00 N ATOM 184 CA THR A 15 1.519 14.501 4.495 1.00 0.00 C ATOM 185 C THR A 15 2.576 13.781 3.661 1.00 0.00 C ATOM 186 O THR A 15 3.453 14.413 3.071 1.00 0.00 O ATOM 187 CB THR A 15 1.519 15.994 4.162 1.00 0.00 C ATOM 188 OG1 THR A 15 1.067 16.754 5.269 1.00 0.00 O ATOM 189 CG2 THR A 15 0.643 16.342 2.979 1.00 0.00 C ATOM 0 H THR A 15 2.661 14.640 6.247 1.00 0.00 H new ATOM 0 HA THR A 15 0.543 14.082 4.252 1.00 0.00 H new ATOM 0 HB THR A 15 2.552 16.235 3.912 1.00 0.00 H new ATOM 0 HG1 THR A 15 1.076 17.706 5.037 1.00 0.00 H new ATOM 0 HG21 THR A 15 0.688 17.416 2.796 1.00 0.00 H new ATOM 0 HG22 THR A 15 0.995 15.809 2.096 1.00 0.00 H new ATOM 0 HG23 THR A 15 -0.386 16.053 3.191 1.00 0.00 H new ATOM 197 N TYR A 16 2.485 12.455 3.618 1.00 0.00 N ATOM 198 CA TYR A 16 3.433 11.649 2.858 1.00 0.00 C ATOM 199 C TYR A 16 3.134 11.724 1.364 1.00 0.00 C ATOM 200 O TYR A 16 2.232 11.049 0.867 1.00 0.00 O ATOM 201 CB TYR A 16 3.388 10.193 3.326 1.00 0.00 C ATOM 202 CG TYR A 16 4.132 9.950 4.620 1.00 0.00 C ATOM 203 CD1 TYR A 16 5.514 10.087 4.685 1.00 0.00 C ATOM 204 CD2 TYR A 16 3.455 9.583 5.776 1.00 0.00 C ATOM 205 CE1 TYR A 16 6.198 9.865 5.865 1.00 0.00 C ATOM 206 CE2 TYR A 16 4.132 9.360 6.960 1.00 0.00 C ATOM 207 CZ TYR A 16 5.502 9.502 6.999 1.00 0.00 C ATOM 208 OH TYR A 16 6.181 9.280 8.176 1.00 0.00 O ATOM 0 H TYR A 16 1.765 11.917 4.100 1.00 0.00 H new ATOM 0 HA TYR A 16 4.432 12.048 3.032 1.00 0.00 H new ATOM 0 HB2 TYR A 16 2.348 9.893 3.453 1.00 0.00 H new ATOM 0 HB3 TYR A 16 3.811 9.557 2.548 1.00 0.00 H new ATOM 0 HD1 TYR A 16 6.062 10.372 3.799 1.00 0.00 H new ATOM 0 HD2 TYR A 16 2.381 9.470 5.749 1.00 0.00 H new ATOM 0 HE1 TYR A 16 7.272 9.975 5.899 1.00 0.00 H new ATOM 0 HE2 TYR A 16 3.590 9.076 7.850 1.00 0.00 H new ATOM 0 HH TYR A 16 5.545 9.033 8.879 1.00 0.00 H new ATOM 218 N ALA A 17 3.896 12.550 0.654 1.00 0.00 N ATOM 219 CA ALA A 17 3.712 12.714 -0.783 1.00 0.00 C ATOM 220 C ALA A 17 4.751 11.917 -1.565 1.00 0.00 C ATOM 221 O ALA A 17 4.467 11.399 -2.645 1.00 0.00 O ATOM 222 CB ALA A 17 3.779 14.186 -1.159 1.00 0.00 C ATOM 0 H ALA A 17 4.646 13.116 1.051 1.00 0.00 H new ATOM 0 HA ALA A 17 2.726 12.329 -1.044 1.00 0.00 H new ATOM 0 HB1 ALA A 17 3.640 14.293 -2.235 1.00 0.00 H new ATOM 0 HB2 ALA A 17 2.994 14.731 -0.635 1.00 0.00 H new ATOM 0 HB3 ALA A 17 4.751 14.590 -0.877 1.00 0.00 H new ATOM 228 N ASP A 18 5.957 11.825 -1.013 1.00 0.00 N ATOM 229 CA ASP A 18 7.039 11.091 -1.660 1.00 0.00 C ATOM 230 C ASP A 18 6.668 9.623 -1.845 1.00 0.00 C ATOM 231 O ASP A 18 7.105 8.977 -2.797 1.00 0.00 O ATOM 232 CB ASP A 18 8.324 11.204 -0.837 1.00 0.00 C ATOM 233 CG ASP A 18 9.568 10.982 -1.674 1.00 0.00 C ATOM 234 OD1 ASP A 18 9.816 11.789 -2.594 1.00 0.00 O ATOM 235 OD2 ASP A 18 10.294 10.002 -1.408 1.00 0.00 O ATOM 0 H ASP A 18 6.209 12.249 -0.120 1.00 0.00 H new ATOM 0 HA ASP A 18 7.205 11.531 -2.643 1.00 0.00 H new ATOM 0 HB2 ASP A 18 8.371 12.190 -0.376 1.00 0.00 H new ATOM 0 HB3 ASP A 18 8.299 10.474 -0.028 1.00 0.00 H new ATOM 240 N ALA A 19 5.858 9.103 -0.929 1.00 0.00 N ATOM 241 CA ALA A 19 5.428 7.711 -0.991 1.00 0.00 C ATOM 242 C ALA A 19 4.674 7.427 -2.285 1.00 0.00 C ATOM 243 O ALA A 19 3.757 8.161 -2.656 1.00 0.00 O ATOM 244 CB ALA A 19 4.560 7.373 0.212 1.00 0.00 C ATOM 0 H ALA A 19 5.486 9.624 -0.135 1.00 0.00 H new ATOM 0 HA ALA A 19 6.317 7.081 -0.973 1.00 0.00 H new ATOM 0 HB1 ALA A 19 4.246 6.331 0.153 1.00 0.00 H new ATOM 0 HB2 ALA A 19 5.131 7.529 1.128 1.00 0.00 H new ATOM 0 HB3 ALA A 19 3.681 8.017 0.219 1.00 0.00 H new ATOM 250 N CYS A 20 5.066 6.357 -2.969 1.00 0.00 N ATOM 251 CA CYS A 20 4.427 5.974 -4.223 1.00 0.00 C ATOM 252 C CYS A 20 3.049 5.373 -3.971 1.00 0.00 C ATOM 253 O CYS A 20 2.639 5.196 -2.825 1.00 0.00 O ATOM 254 CB CYS A 20 5.304 4.975 -4.981 1.00 0.00 C ATOM 255 SG CYS A 20 5.281 5.186 -6.776 1.00 0.00 S ATOM 0 H CYS A 20 5.823 5.740 -2.676 1.00 0.00 H new ATOM 0 HA CYS A 20 4.304 6.872 -4.829 1.00 0.00 H new ATOM 0 HB2 CYS A 20 6.331 5.069 -4.628 1.00 0.00 H new ATOM 0 HB3 CYS A 20 4.975 3.964 -4.741 1.00 0.00 H new ATOM 0 HG CYS A 20 6.054 4.298 -7.327 1.00 0.00 H new ATOM 261 N ASP A 21 2.339 5.059 -5.051 1.00 0.00 N ATOM 262 CA ASP A 21 1.007 4.476 -4.947 1.00 0.00 C ATOM 263 C ASP A 21 1.059 3.114 -4.263 1.00 0.00 C ATOM 264 O ASP A 21 0.101 2.699 -3.609 1.00 0.00 O ATOM 265 CB ASP A 21 0.378 4.338 -6.335 1.00 0.00 C ATOM 266 CG ASP A 21 -0.054 5.673 -6.908 1.00 0.00 C ATOM 267 OD1 ASP A 21 0.529 6.706 -6.515 1.00 0.00 O ATOM 268 OD2 ASP A 21 -0.974 5.686 -7.752 1.00 0.00 O ATOM 0 H ASP A 21 2.665 5.199 -6.007 1.00 0.00 H new ATOM 0 HA ASP A 21 0.393 5.143 -4.341 1.00 0.00 H new ATOM 0 HB2 ASP A 21 1.094 3.870 -7.011 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -0.485 3.675 -6.276 1.00 0.00 H new ATOM 273 N GLU A 22 2.183 2.420 -4.417 1.00 0.00 N ATOM 274 CA GLU A 22 2.358 1.104 -3.815 1.00 0.00 C ATOM 275 C GLU A 22 2.201 1.173 -2.299 1.00 0.00 C ATOM 276 O GLU A 22 1.730 0.225 -1.670 1.00 0.00 O ATOM 277 CB GLU A 22 3.732 0.535 -4.172 1.00 0.00 C ATOM 278 CG GLU A 22 3.721 -0.962 -4.436 1.00 0.00 C ATOM 279 CD GLU A 22 4.431 -1.334 -5.723 1.00 0.00 C ATOM 280 OE1 GLU A 22 4.372 -0.538 -6.684 1.00 0.00 O ATOM 281 OE2 GLU A 22 5.045 -2.421 -5.771 1.00 0.00 O ATOM 0 H GLU A 22 2.986 2.748 -4.954 1.00 0.00 H new ATOM 0 HA GLU A 22 1.586 0.445 -4.212 1.00 0.00 H new ATOM 0 HB2 GLU A 22 4.110 1.049 -5.056 1.00 0.00 H new ATOM 0 HB3 GLU A 22 4.426 0.747 -3.359 1.00 0.00 H new ATOM 0 HG2 GLU A 22 4.196 -1.478 -3.601 1.00 0.00 H new ATOM 0 HG3 GLU A 22 2.689 -1.311 -4.481 1.00 0.00 H new ATOM 288 N PHE A 23 2.597 2.300 -1.719 1.00 0.00 N ATOM 289 CA PHE A 23 2.500 2.493 -0.277 1.00 0.00 C ATOM 290 C PHE A 23 1.207 3.214 0.089 1.00 0.00 C ATOM 291 O PHE A 23 0.637 2.985 1.156 1.00 0.00 O ATOM 292 CB PHE A 23 3.704 3.289 0.234 1.00 0.00 C ATOM 293 CG PHE A 23 5.020 2.608 -0.009 1.00 0.00 C ATOM 294 CD1 PHE A 23 5.176 1.257 0.257 1.00 0.00 C ATOM 295 CD2 PHE A 23 6.102 3.319 -0.505 1.00 0.00 C ATOM 296 CE1 PHE A 23 6.386 0.627 0.033 1.00 0.00 C ATOM 297 CE2 PHE A 23 7.314 2.695 -0.729 1.00 0.00 C ATOM 298 CZ PHE A 23 7.457 1.348 -0.460 1.00 0.00 C ATOM 0 H PHE A 23 2.988 3.094 -2.225 1.00 0.00 H new ATOM 0 HA PHE A 23 2.494 1.511 0.197 1.00 0.00 H new ATOM 0 HB2 PHE A 23 3.715 4.266 -0.249 1.00 0.00 H new ATOM 0 HB3 PHE A 23 3.586 3.464 1.303 1.00 0.00 H new ATOM 0 HD1 PHE A 23 4.342 0.690 0.644 1.00 0.00 H new ATOM 0 HD2 PHE A 23 5.996 4.372 -0.719 1.00 0.00 H new ATOM 0 HE1 PHE A 23 6.494 -0.427 0.243 1.00 0.00 H new ATOM 0 HE2 PHE A 23 8.150 3.260 -1.114 1.00 0.00 H new ATOM 0 HZ PHE A 23 8.404 0.859 -0.635 1.00 0.00 H new ATOM 308 N LEU A 24 0.749 4.084 -0.804 1.00 0.00 N ATOM 309 CA LEU A 24 -0.478 4.838 -0.577 1.00 0.00 C ATOM 310 C LEU A 24 -1.706 3.953 -0.766 1.00 0.00 C ATOM 311 O LEU A 24 -1.702 3.033 -1.585 1.00 0.00 O ATOM 312 CB LEU A 24 -0.549 6.035 -1.527 1.00 0.00 C ATOM 313 CG LEU A 24 0.429 7.168 -1.215 1.00 0.00 C ATOM 314 CD1 LEU A 24 0.723 7.980 -2.467 1.00 0.00 C ATOM 315 CD2 LEU A 24 -0.128 8.063 -0.118 1.00 0.00 C ATOM 0 H LEU A 24 1.209 4.285 -1.692 1.00 0.00 H new ATOM 0 HA LEU A 24 -0.467 5.198 0.452 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -0.364 5.685 -2.542 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.563 6.435 -1.508 1.00 0.00 H new ATOM 0 HG LEU A 24 1.363 6.730 -0.863 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.421 8.782 -2.225 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.163 7.333 -3.226 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.204 8.408 -2.849 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.580 8.864 0.092 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.075 8.492 -0.444 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -0.289 7.474 0.785 1.00 0.00 H new ATOM 327 N ASP A 25 -2.758 4.237 -0.003 1.00 0.00 N ATOM 328 CA ASP A 25 -3.994 3.468 -0.087 1.00 0.00 C ATOM 329 C ASP A 25 -4.799 3.869 -1.322 1.00 0.00 C ATOM 330 O ASP A 25 -4.859 5.047 -1.675 1.00 0.00 O ATOM 331 CB ASP A 25 -4.834 3.677 1.174 1.00 0.00 C ATOM 332 CG ASP A 25 -5.549 2.414 1.611 1.00 0.00 C ATOM 333 OD1 ASP A 25 -4.939 1.609 2.343 1.00 0.00 O ATOM 334 OD2 ASP A 25 -6.721 2.231 1.221 1.00 0.00 O ATOM 0 H ASP A 25 -2.778 4.994 0.680 1.00 0.00 H new ATOM 0 HA ASP A 25 -3.734 2.413 -0.171 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -4.190 4.024 1.982 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -5.568 4.462 0.992 1.00 0.00 H new ATOM 339 N PRO A 26 -5.431 2.894 -1.999 1.00 0.00 N ATOM 340 CA PRO A 26 -6.232 3.161 -3.199 1.00 0.00 C ATOM 341 C PRO A 26 -7.523 3.911 -2.884 1.00 0.00 C ATOM 342 O PRO A 26 -8.082 4.591 -3.746 1.00 0.00 O ATOM 343 CB PRO A 26 -6.547 1.763 -3.735 1.00 0.00 C ATOM 344 CG PRO A 26 -6.474 0.873 -2.543 1.00 0.00 C ATOM 345 CD PRO A 26 -5.415 1.460 -1.652 1.00 0.00 C ATOM 0 HA PRO A 26 -5.700 3.796 -3.907 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -7.535 1.729 -4.194 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -5.830 1.461 -4.498 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -7.435 0.828 -2.030 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -6.219 -0.147 -2.832 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -5.642 1.299 -0.598 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -4.439 1.012 -1.839 1.00 0.00 H new ATOM 353 N ILE A 27 -7.994 3.783 -1.648 1.00 0.00 N ATOM 354 CA ILE A 27 -9.221 4.448 -1.226 1.00 0.00 C ATOM 355 C ILE A 27 -8.924 5.605 -0.278 1.00 0.00 C ATOM 356 O ILE A 27 -9.490 6.691 -0.412 1.00 0.00 O ATOM 357 CB ILE A 27 -10.183 3.465 -0.531 1.00 0.00 C ATOM 358 CG1 ILE A 27 -10.342 2.196 -1.369 1.00 0.00 C ATOM 359 CG2 ILE A 27 -11.534 4.124 -0.295 1.00 0.00 C ATOM 360 CD1 ILE A 27 -11.174 1.127 -0.695 1.00 0.00 C ATOM 0 H ILE A 27 -7.545 3.225 -0.922 1.00 0.00 H new ATOM 0 HA ILE A 27 -9.696 4.834 -2.128 1.00 0.00 H new ATOM 0 HB ILE A 27 -9.762 3.189 0.436 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -10.802 2.455 -2.323 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -9.355 1.791 -1.591 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -12.203 3.417 0.197 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -11.405 5.002 0.338 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -11.964 4.426 -1.250 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -11.244 0.256 -1.347 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -10.704 0.839 0.246 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -12.174 1.514 -0.498 1.00 0.00 H new ATOM 372 N MET A 28 -8.039 5.366 0.684 1.00 0.00 N ATOM 373 CA MET A 28 -7.671 6.388 1.657 1.00 0.00 C ATOM 374 C MET A 28 -6.671 7.377 1.064 1.00 0.00 C ATOM 375 O MET A 28 -6.607 8.533 1.483 1.00 0.00 O ATOM 376 CB MET A 28 -7.084 5.740 2.911 1.00 0.00 C ATOM 377 CG MET A 28 -7.933 4.608 3.465 1.00 0.00 C ATOM 378 SD MET A 28 -8.966 5.127 4.848 1.00 0.00 S ATOM 379 CE MET A 28 -10.036 6.318 4.044 1.00 0.00 C ATOM 0 H MET A 28 -7.563 4.473 0.811 1.00 0.00 H new ATOM 0 HA MET A 28 -8.574 6.935 1.927 1.00 0.00 H new ATOM 0 HB2 MET A 28 -6.089 5.358 2.681 1.00 0.00 H new ATOM 0 HB3 MET A 28 -6.962 6.502 3.681 1.00 0.00 H new ATOM 0 HG2 MET A 28 -8.567 4.213 2.671 1.00 0.00 H new ATOM 0 HG3 MET A 28 -7.282 3.795 3.788 1.00 0.00 H new ATOM 0 HE1 MET A 28 -10.934 6.463 4.644 1.00 0.00 H new ATOM 0 HE2 MET A 28 -9.511 7.268 3.941 1.00 0.00 H new ATOM 0 HE3 MET A 28 -10.315 5.949 3.057 1.00 0.00 H new ATOM 389 N SER A 29 -5.889 6.918 0.092 1.00 0.00 N ATOM 390 CA SER A 29 -4.895 7.768 -0.552 1.00 0.00 C ATOM 391 C SER A 29 -3.871 8.270 0.462 1.00 0.00 C ATOM 392 O SER A 29 -3.330 9.367 0.321 1.00 0.00 O ATOM 393 CB SER A 29 -5.574 8.954 -1.238 1.00 0.00 C ATOM 394 OG SER A 29 -5.869 8.659 -2.593 1.00 0.00 O ATOM 0 H SER A 29 -5.925 5.964 -0.266 1.00 0.00 H new ATOM 0 HA SER A 29 -4.376 7.173 -1.303 1.00 0.00 H new ATOM 0 HB2 SER A 29 -6.493 9.207 -0.709 1.00 0.00 H new ATOM 0 HB3 SER A 29 -4.925 9.828 -1.186 1.00 0.00 H new ATOM 0 HG SER A 29 -6.304 9.432 -3.009 1.00 0.00 H new ATOM 400 N THR A 30 -3.611 7.461 1.484 1.00 0.00 N ATOM 401 CA THR A 30 -2.652 7.823 2.522 1.00 0.00 C ATOM 402 C THR A 30 -1.663 6.690 2.770 1.00 0.00 C ATOM 403 O THR A 30 -1.790 5.606 2.199 1.00 0.00 O ATOM 404 CB THR A 30 -3.383 8.171 3.820 1.00 0.00 C ATOM 405 OG1 THR A 30 -3.858 6.998 4.457 1.00 0.00 O ATOM 406 CG2 THR A 30 -4.566 9.092 3.612 1.00 0.00 C ATOM 0 H THR A 30 -4.051 6.550 1.616 1.00 0.00 H new ATOM 0 HA THR A 30 -2.096 8.696 2.180 1.00 0.00 H new ATOM 0 HB THR A 30 -2.647 8.686 4.438 1.00 0.00 H new ATOM 0 HG1 THR A 30 -4.321 7.241 5.286 1.00 0.00 H new ATOM 0 HG21 THR A 30 -5.039 9.299 4.572 1.00 0.00 H new ATOM 0 HG22 THR A 30 -4.226 10.027 3.166 1.00 0.00 H new ATOM 0 HG23 THR A 30 -5.286 8.615 2.948 1.00 0.00 H new ATOM 414 N LEU A 31 -0.678 6.947 3.625 1.00 0.00 N ATOM 415 CA LEU A 31 0.333 5.947 3.948 1.00 0.00 C ATOM 416 C LEU A 31 -0.306 4.701 4.550 1.00 0.00 C ATOM 417 O LEU A 31 -1.219 4.793 5.370 1.00 0.00 O ATOM 418 CB LEU A 31 1.361 6.529 4.922 1.00 0.00 C ATOM 419 CG LEU A 31 2.701 5.793 4.963 1.00 0.00 C ATOM 420 CD1 LEU A 31 3.542 6.147 3.745 1.00 0.00 C ATOM 421 CD2 LEU A 31 3.451 6.125 6.245 1.00 0.00 C ATOM 0 H LEU A 31 -0.559 7.838 4.106 1.00 0.00 H new ATOM 0 HA LEU A 31 0.837 5.663 3.024 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.543 7.570 4.655 1.00 0.00 H new ATOM 0 HB3 LEU A 31 0.932 6.527 5.924 1.00 0.00 H new ATOM 0 HG LEU A 31 2.506 4.721 4.945 1.00 0.00 H new ATOM 0 HD11 LEU A 31 4.492 5.614 3.791 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.009 5.860 2.839 1.00 0.00 H new ATOM 0 HD13 LEU A 31 3.729 7.221 3.731 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.402 5.593 6.258 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.635 7.198 6.291 1.00 0.00 H new ATOM 0 HD23 LEU A 31 2.854 5.822 7.105 1.00 0.00 H new ATOM 433 N MET A 32 0.180 3.535 4.138 1.00 0.00 N ATOM 434 CA MET A 32 -0.345 2.269 4.636 1.00 0.00 C ATOM 435 C MET A 32 0.632 1.621 5.614 1.00 0.00 C ATOM 436 O MET A 32 1.816 1.472 5.315 1.00 0.00 O ATOM 437 CB MET A 32 -0.625 1.315 3.473 1.00 0.00 C ATOM 438 CG MET A 32 -1.790 1.748 2.598 1.00 0.00 C ATOM 439 SD MET A 32 -2.401 0.415 1.548 1.00 0.00 S ATOM 440 CE MET A 32 -0.956 0.084 0.545 1.00 0.00 C ATOM 0 H MET A 32 0.937 3.440 3.461 1.00 0.00 H new ATOM 0 HA MET A 32 -1.277 2.474 5.162 1.00 0.00 H new ATOM 0 HB2 MET A 32 0.271 1.234 2.857 1.00 0.00 H new ATOM 0 HB3 MET A 32 -0.830 0.321 3.871 1.00 0.00 H new ATOM 0 HG2 MET A 32 -2.601 2.108 3.231 1.00 0.00 H new ATOM 0 HG3 MET A 32 -1.479 2.585 1.973 1.00 0.00 H new ATOM 0 HE1 MET A 32 -1.188 -0.695 -0.181 1.00 0.00 H new ATOM 0 HE2 MET A 32 -0.661 0.993 0.020 1.00 0.00 H new ATOM 0 HE3 MET A 32 -0.138 -0.247 1.184 1.00 0.00 H new ATOM 450 N CYS A 33 0.124 1.237 6.781 1.00 0.00 N ATOM 451 CA CYS A 33 0.951 0.603 7.802 1.00 0.00 C ATOM 452 C CYS A 33 0.877 -0.916 7.692 1.00 0.00 C ATOM 453 O CYS A 33 1.901 -1.599 7.696 1.00 0.00 O ATOM 454 CB CYS A 33 0.507 1.049 9.196 1.00 0.00 C ATOM 455 SG CYS A 33 1.163 2.657 9.699 1.00 0.00 S ATOM 0 H CYS A 33 -0.855 1.354 7.043 1.00 0.00 H new ATOM 0 HA CYS A 33 1.984 0.911 7.643 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -0.582 1.088 9.224 1.00 0.00 H new ATOM 0 HB3 CYS A 33 0.818 0.298 9.922 1.00 0.00 H new ATOM 0 HG CYS A 33 0.731 2.949 10.890 1.00 0.00 H new ATOM 461 N ASP A 34 -0.341 -1.437 7.593 1.00 0.00 N ATOM 462 CA ASP A 34 -0.551 -2.876 7.480 1.00 0.00 C ATOM 463 C ASP A 34 -1.393 -3.206 6.249 1.00 0.00 C ATOM 464 O ASP A 34 -2.569 -3.550 6.364 1.00 0.00 O ATOM 465 CB ASP A 34 -1.232 -3.415 8.740 1.00 0.00 C ATOM 466 CG ASP A 34 -0.323 -3.369 9.953 1.00 0.00 C ATOM 467 OD1 ASP A 34 0.181 -2.273 10.276 1.00 0.00 O ATOM 468 OD2 ASP A 34 -0.115 -4.429 10.579 1.00 0.00 O ATOM 0 H ASP A 34 -1.198 -0.884 7.589 1.00 0.00 H new ATOM 0 HA ASP A 34 0.423 -3.354 7.372 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -2.131 -2.833 8.941 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -1.550 -4.443 8.566 1.00 0.00 H new ATOM 473 N PRO A 35 -0.798 -3.102 5.048 1.00 0.00 N ATOM 474 CA PRO A 35 -1.497 -3.388 3.792 1.00 0.00 C ATOM 475 C PRO A 35 -1.806 -4.872 3.624 1.00 0.00 C ATOM 476 O PRO A 35 -0.905 -5.711 3.642 1.00 0.00 O ATOM 477 CB PRO A 35 -0.509 -2.924 2.719 1.00 0.00 C ATOM 478 CG PRO A 35 0.827 -3.015 3.370 1.00 0.00 C ATOM 479 CD PRO A 35 0.603 -2.697 4.822 1.00 0.00 C ATOM 0 HA PRO A 35 -2.465 -2.889 3.744 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -0.561 -3.556 1.833 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -0.724 -1.905 2.397 1.00 0.00 H new ATOM 0 HG2 PRO A 35 1.252 -4.011 3.250 1.00 0.00 H new ATOM 0 HG3 PRO A 35 1.529 -2.312 2.920 1.00 0.00 H new ATOM 0 HD2 PRO A 35 1.289 -3.248 5.465 1.00 0.00 H new ATOM 0 HD3 PRO A 35 0.754 -1.638 5.029 1.00 0.00 H new ATOM 487 N VAL A 36 -3.086 -5.188 3.457 1.00 0.00 N ATOM 488 CA VAL A 36 -3.517 -6.569 3.283 1.00 0.00 C ATOM 489 C VAL A 36 -4.006 -6.813 1.859 1.00 0.00 C ATOM 490 O VAL A 36 -4.791 -6.033 1.319 1.00 0.00 O ATOM 491 CB VAL A 36 -4.641 -6.937 4.269 1.00 0.00 C ATOM 492 CG1 VAL A 36 -4.118 -6.945 5.697 1.00 0.00 C ATOM 493 CG2 VAL A 36 -5.811 -5.976 4.128 1.00 0.00 C ATOM 0 H VAL A 36 -3.843 -4.505 3.439 1.00 0.00 H new ATOM 0 HA VAL A 36 -2.650 -7.199 3.483 1.00 0.00 H new ATOM 0 HB VAL A 36 -4.994 -7.940 4.030 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -4.927 -7.207 6.379 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -3.316 -7.678 5.787 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -3.736 -5.956 5.950 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -6.595 -6.252 4.833 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -5.475 -4.961 4.338 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -6.202 -6.026 3.112 1.00 0.00 H new ATOM 503 N VAL A 37 -3.537 -7.901 1.255 1.00 0.00 N ATOM 504 CA VAL A 37 -3.929 -8.246 -0.105 1.00 0.00 C ATOM 505 C VAL A 37 -5.289 -8.934 -0.129 1.00 0.00 C ATOM 506 O VAL A 37 -5.493 -9.949 0.536 1.00 0.00 O ATOM 507 CB VAL A 37 -2.889 -9.167 -0.773 1.00 0.00 C ATOM 508 CG1 VAL A 37 -3.208 -9.352 -2.248 1.00 0.00 C ATOM 509 CG2 VAL A 37 -1.486 -8.609 -0.589 1.00 0.00 C ATOM 0 H VAL A 37 -2.886 -8.557 1.686 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.988 -7.311 -0.663 1.00 0.00 H new ATOM 0 HB VAL A 37 -2.933 -10.144 -0.291 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -2.463 -10.005 -2.702 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -4.196 -9.800 -2.353 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -3.194 -8.383 -2.748 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -0.765 -9.272 -1.067 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -1.425 -7.620 -1.043 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -1.261 -8.535 0.475 1.00 0.00 H new ATOM 519 N LEU A 38 -6.215 -8.376 -0.901 1.00 0.00 N ATOM 520 CA LEU A 38 -7.557 -8.937 -1.011 1.00 0.00 C ATOM 521 C LEU A 38 -7.603 -10.020 -2.089 1.00 0.00 C ATOM 522 O LEU A 38 -7.371 -9.741 -3.264 1.00 0.00 O ATOM 523 CB LEU A 38 -8.567 -7.835 -1.339 1.00 0.00 C ATOM 524 CG LEU A 38 -8.375 -6.528 -0.566 1.00 0.00 C ATOM 525 CD1 LEU A 38 -8.897 -5.350 -1.373 1.00 0.00 C ATOM 526 CD2 LEU A 38 -9.072 -6.602 0.784 1.00 0.00 C ATOM 0 H LEU A 38 -6.061 -7.536 -1.460 1.00 0.00 H new ATOM 0 HA LEU A 38 -7.818 -9.387 -0.053 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -8.512 -7.619 -2.406 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -9.570 -8.212 -1.141 1.00 0.00 H new ATOM 0 HG LEU A 38 -7.309 -6.381 -0.395 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -8.752 -4.429 -0.808 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -8.354 -5.286 -2.316 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -9.959 -5.489 -1.574 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -8.926 -5.665 1.321 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -10.138 -6.772 0.634 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -8.652 -7.423 1.366 1.00 0.00 H new ATOM 538 N PRO A 39 -7.904 -11.274 -1.705 1.00 0.00 N ATOM 539 CA PRO A 39 -7.976 -12.390 -2.657 1.00 0.00 C ATOM 540 C PRO A 39 -9.113 -12.229 -3.663 1.00 0.00 C ATOM 541 O PRO A 39 -9.177 -12.950 -4.659 1.00 0.00 O ATOM 542 CB PRO A 39 -8.222 -13.611 -1.763 1.00 0.00 C ATOM 543 CG PRO A 39 -8.817 -13.061 -0.515 1.00 0.00 C ATOM 544 CD PRO A 39 -8.199 -11.704 -0.327 1.00 0.00 C ATOM 0 HA PRO A 39 -7.072 -12.463 -3.261 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -8.896 -14.321 -2.242 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -7.293 -14.143 -1.556 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -9.901 -12.988 -0.598 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -8.606 -13.708 0.337 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -8.882 -11.016 0.172 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -7.296 -11.754 0.281 1.00 0.00 H new ATOM 552 N SER A 40 -10.011 -11.284 -3.399 1.00 0.00 N ATOM 553 CA SER A 40 -11.144 -11.037 -4.283 1.00 0.00 C ATOM 554 C SER A 40 -10.697 -10.332 -5.562 1.00 0.00 C ATOM 555 O SER A 40 -10.733 -10.914 -6.646 1.00 0.00 O ATOM 556 CB SER A 40 -12.202 -10.197 -3.569 1.00 0.00 C ATOM 557 OG SER A 40 -13.271 -9.872 -4.441 1.00 0.00 O ATOM 0 H SER A 40 -9.975 -10.677 -2.580 1.00 0.00 H new ATOM 0 HA SER A 40 -11.576 -12.001 -4.553 1.00 0.00 H new ATOM 0 HB2 SER A 40 -12.585 -10.745 -2.708 1.00 0.00 H new ATOM 0 HB3 SER A 40 -11.748 -9.282 -3.189 1.00 0.00 H new ATOM 0 HG SER A 40 -14.123 -10.092 -4.010 1.00 0.00 H new ATOM 563 N SER A 41 -10.285 -9.075 -5.429 1.00 0.00 N ATOM 564 CA SER A 41 -9.841 -8.292 -6.578 1.00 0.00 C ATOM 565 C SER A 41 -8.319 -8.140 -6.601 1.00 0.00 C ATOM 566 O SER A 41 -7.779 -7.381 -7.407 1.00 0.00 O ATOM 567 CB SER A 41 -10.499 -6.912 -6.561 1.00 0.00 C ATOM 568 OG SER A 41 -10.408 -6.318 -5.278 1.00 0.00 O ATOM 0 H SER A 41 -10.249 -8.577 -4.539 1.00 0.00 H new ATOM 0 HA SER A 41 -10.140 -8.827 -7.479 1.00 0.00 H new ATOM 0 HB2 SER A 41 -10.019 -6.268 -7.298 1.00 0.00 H new ATOM 0 HB3 SER A 41 -11.546 -7.002 -6.850 1.00 0.00 H new ATOM 0 HG SER A 41 -11.302 -6.260 -4.880 1.00 0.00 H new ATOM 574 N ARG A 42 -7.630 -8.862 -5.721 1.00 0.00 N ATOM 575 CA ARG A 42 -6.173 -8.798 -5.657 1.00 0.00 C ATOM 576 C ARG A 42 -5.695 -7.364 -5.443 1.00 0.00 C ATOM 577 O ARG A 42 -4.606 -6.991 -5.881 1.00 0.00 O ATOM 578 CB ARG A 42 -5.561 -9.365 -6.939 1.00 0.00 C ATOM 579 CG ARG A 42 -5.755 -10.865 -7.090 1.00 0.00 C ATOM 580 CD ARG A 42 -6.877 -11.188 -8.065 1.00 0.00 C ATOM 581 NE ARG A 42 -7.674 -12.329 -7.621 1.00 0.00 N ATOM 582 CZ ARG A 42 -7.298 -13.597 -7.766 1.00 0.00 C ATOM 583 NH1 ARG A 42 -6.139 -13.892 -8.341 1.00 0.00 N ATOM 584 NH2 ARG A 42 -8.084 -14.575 -7.335 1.00 0.00 N ATOM 0 H ARG A 42 -8.056 -9.496 -5.045 1.00 0.00 H new ATOM 0 HA ARG A 42 -5.847 -9.399 -4.808 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -6.004 -8.861 -7.798 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -4.494 -9.141 -6.953 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -4.827 -11.319 -7.438 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -5.979 -11.303 -6.118 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -7.522 -10.317 -8.177 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -6.454 -11.401 -9.047 1.00 0.00 H new ATOM 0 HE ARG A 42 -8.571 -12.143 -7.174 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -5.530 -13.145 -8.675 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -5.857 -14.866 -8.449 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -8.976 -14.355 -6.893 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -7.796 -15.547 -7.446 1.00 0.00 H new ATOM 598 N VAL A 43 -6.514 -6.565 -4.768 1.00 0.00 N ATOM 599 CA VAL A 43 -6.174 -5.174 -4.497 1.00 0.00 C ATOM 600 C VAL A 43 -5.595 -5.013 -3.096 1.00 0.00 C ATOM 601 O VAL A 43 -6.200 -5.437 -2.111 1.00 0.00 O ATOM 602 CB VAL A 43 -7.402 -4.255 -4.642 1.00 0.00 C ATOM 603 CG1 VAL A 43 -6.991 -2.794 -4.550 1.00 0.00 C ATOM 604 CG2 VAL A 43 -8.125 -4.533 -5.951 1.00 0.00 C ATOM 0 H VAL A 43 -7.419 -6.857 -4.398 1.00 0.00 H new ATOM 0 HA VAL A 43 -5.425 -4.883 -5.233 1.00 0.00 H new ATOM 0 HB VAL A 43 -8.089 -4.466 -3.823 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -7.872 -2.161 -4.655 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -6.523 -2.608 -3.583 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -6.283 -2.564 -5.346 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -8.990 -3.875 -6.036 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -7.448 -4.353 -6.786 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -8.456 -5.571 -5.970 1.00 0.00 H new ATOM 614 N THR A 44 -4.419 -4.399 -3.013 1.00 0.00 N ATOM 615 CA THR A 44 -3.758 -4.183 -1.731 1.00 0.00 C ATOM 616 C THR A 44 -4.359 -2.986 -1.003 1.00 0.00 C ATOM 617 O THR A 44 -4.278 -1.853 -1.477 1.00 0.00 O ATOM 618 CB THR A 44 -2.257 -3.969 -1.936 1.00 0.00 C ATOM 619 OG1 THR A 44 -1.816 -4.612 -3.118 1.00 0.00 O ATOM 620 CG2 THR A 44 -1.416 -4.487 -0.790 1.00 0.00 C ATOM 0 H THR A 44 -3.904 -4.042 -3.818 1.00 0.00 H new ATOM 0 HA THR A 44 -3.911 -5.072 -1.119 1.00 0.00 H new ATOM 0 HB THR A 44 -2.126 -2.889 -2.001 1.00 0.00 H new ATOM 0 HG1 THR A 44 -0.854 -4.462 -3.233 1.00 0.00 H new ATOM 0 HG21 THR A 44 -0.362 -4.303 -1.000 1.00 0.00 H new ATOM 0 HG22 THR A 44 -1.698 -3.973 0.129 1.00 0.00 H new ATOM 0 HG23 THR A 44 -1.581 -5.558 -0.672 1.00 0.00 H new ATOM 628 N VAL A 45 -4.961 -3.245 0.153 1.00 0.00 N ATOM 629 CA VAL A 45 -5.575 -2.188 0.949 1.00 0.00 C ATOM 630 C VAL A 45 -5.217 -2.335 2.424 1.00 0.00 C ATOM 631 O VAL A 45 -4.938 -3.437 2.897 1.00 0.00 O ATOM 632 CB VAL A 45 -7.108 -2.192 0.802 1.00 0.00 C ATOM 633 CG1 VAL A 45 -7.510 -1.849 -0.624 1.00 0.00 C ATOM 634 CG2 VAL A 45 -7.681 -3.538 1.216 1.00 0.00 C ATOM 0 H VAL A 45 -5.037 -4.177 0.560 1.00 0.00 H new ATOM 0 HA VAL A 45 -5.185 -1.242 0.574 1.00 0.00 H new ATOM 0 HB VAL A 45 -7.519 -1.429 1.463 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -8.597 -1.857 -0.708 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -7.134 -0.859 -0.880 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -7.088 -2.585 -1.308 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -8.765 -3.521 1.105 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -7.264 -4.321 0.583 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -7.426 -3.738 2.257 1.00 0.00 H new ATOM 644 N ASP A 46 -5.227 -1.219 3.145 1.00 0.00 N ATOM 645 CA ASP A 46 -4.903 -1.225 4.567 1.00 0.00 C ATOM 646 C ASP A 46 -5.838 -2.155 5.336 1.00 0.00 C ATOM 647 O ASP A 46 -7.023 -2.258 5.021 1.00 0.00 O ATOM 648 CB ASP A 46 -4.988 0.194 5.136 1.00 0.00 C ATOM 649 CG ASP A 46 -3.629 0.746 5.518 1.00 0.00 C ATOM 650 OD1 ASP A 46 -2.747 -0.054 5.894 1.00 0.00 O ATOM 651 OD2 ASP A 46 -3.446 1.979 5.439 1.00 0.00 O ATOM 0 H ASP A 46 -5.456 -0.299 2.768 1.00 0.00 H new ATOM 0 HA ASP A 46 -3.884 -1.593 4.681 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -5.450 0.851 4.399 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -5.636 0.193 6.012 1.00 0.00 H new ATOM 656 N ARG A 47 -5.295 -2.830 6.344 1.00 0.00 N ATOM 657 CA ARG A 47 -6.079 -3.751 7.159 1.00 0.00 C ATOM 658 C ARG A 47 -7.264 -3.037 7.803 1.00 0.00 C ATOM 659 O ARG A 47 -8.313 -3.639 8.035 1.00 0.00 O ATOM 660 CB ARG A 47 -5.202 -4.385 8.239 1.00 0.00 C ATOM 661 CG ARG A 47 -5.616 -5.800 8.608 1.00 0.00 C ATOM 662 CD ARG A 47 -6.374 -5.836 9.926 1.00 0.00 C ATOM 663 NE ARG A 47 -5.595 -6.466 10.988 1.00 0.00 N ATOM 664 CZ ARG A 47 -5.252 -7.753 10.994 1.00 0.00 C ATOM 665 NH1 ARG A 47 -5.616 -8.548 9.995 1.00 0.00 N ATOM 666 NH2 ARG A 47 -4.542 -8.244 11.999 1.00 0.00 N ATOM 0 H ARG A 47 -4.315 -2.756 6.616 1.00 0.00 H new ATOM 0 HA ARG A 47 -6.462 -4.535 6.506 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -4.168 -4.396 7.895 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -5.234 -3.762 9.133 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -6.241 -6.215 7.817 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -4.731 -6.432 8.679 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -6.635 -4.820 10.222 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -7.309 -6.379 9.792 1.00 0.00 H new ATOM 0 HE ARG A 47 -5.296 -5.886 11.772 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -6.161 -8.174 9.218 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -5.351 -9.533 10.004 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -4.258 -7.637 12.768 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -4.279 -9.230 12.004 1.00 0.00 H new ATOM 680 N SER A 48 -7.089 -1.752 8.089 1.00 0.00 N ATOM 681 CA SER A 48 -8.143 -0.956 8.705 1.00 0.00 C ATOM 682 C SER A 48 -9.135 -0.461 7.657 1.00 0.00 C ATOM 683 O SER A 48 -10.331 -0.341 7.926 1.00 0.00 O ATOM 684 CB SER A 48 -7.542 0.232 9.458 1.00 0.00 C ATOM 685 OG SER A 48 -7.159 1.262 8.563 1.00 0.00 O ATOM 0 H SER A 48 -6.227 -1.239 7.904 1.00 0.00 H new ATOM 0 HA SER A 48 -8.676 -1.591 9.412 1.00 0.00 H new ATOM 0 HB2 SER A 48 -8.268 0.619 10.173 1.00 0.00 H new ATOM 0 HB3 SER A 48 -6.675 -0.097 10.031 1.00 0.00 H new ATOM 0 HG SER A 48 -6.779 2.011 9.069 1.00 0.00 H new ATOM 691 N THR A 49 -8.631 -0.176 6.461 1.00 0.00 N ATOM 692 CA THR A 49 -9.473 0.305 5.371 1.00 0.00 C ATOM 693 C THR A 49 -10.481 -0.760 4.955 1.00 0.00 C ATOM 694 O THR A 49 -11.615 -0.447 4.593 1.00 0.00 O ATOM 695 CB THR A 49 -8.611 0.706 4.172 1.00 0.00 C ATOM 696 OG1 THR A 49 -7.648 1.674 4.549 1.00 0.00 O ATOM 697 CG2 THR A 49 -9.414 1.281 3.025 1.00 0.00 C ATOM 0 H THR A 49 -7.644 -0.270 6.222 1.00 0.00 H new ATOM 0 HA THR A 49 -10.020 1.179 5.724 1.00 0.00 H new ATOM 0 HB THR A 49 -8.135 -0.215 3.836 1.00 0.00 H new ATOM 0 HG1 THR A 49 -8.074 2.361 5.103 1.00 0.00 H new ATOM 0 HG21 THR A 49 -8.743 1.545 2.207 1.00 0.00 H new ATOM 0 HG22 THR A 49 -10.135 0.541 2.678 1.00 0.00 H new ATOM 0 HG23 THR A 49 -9.943 2.172 3.362 1.00 0.00 H new ATOM 705 N ILE A 50 -10.059 -2.018 5.010 1.00 0.00 N ATOM 706 CA ILE A 50 -10.923 -3.131 4.642 1.00 0.00 C ATOM 707 C ILE A 50 -11.818 -3.538 5.808 1.00 0.00 C ATOM 708 O ILE A 50 -12.977 -3.906 5.615 1.00 0.00 O ATOM 709 CB ILE A 50 -10.102 -4.353 4.180 1.00 0.00 C ATOM 710 CG1 ILE A 50 -11.029 -5.470 3.699 1.00 0.00 C ATOM 711 CG2 ILE A 50 -9.205 -4.847 5.306 1.00 0.00 C ATOM 712 CD1 ILE A 50 -11.901 -5.071 2.528 1.00 0.00 C ATOM 0 H ILE A 50 -9.122 -2.292 5.306 1.00 0.00 H new ATOM 0 HA ILE A 50 -11.545 -2.791 3.814 1.00 0.00 H new ATOM 0 HB ILE A 50 -9.470 -4.050 3.345 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -10.427 -6.333 3.416 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -11.666 -5.783 4.526 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -8.633 -5.709 4.964 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -8.521 -4.052 5.602 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -9.818 -5.134 6.160 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -12.532 -5.912 2.241 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -12.529 -4.227 2.813 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -11.271 -4.786 1.686 1.00 0.00 H new ATOM 724 N ALA A 51 -11.273 -3.467 7.019 1.00 0.00 N ATOM 725 CA ALA A 51 -12.022 -3.827 8.217 1.00 0.00 C ATOM 726 C ALA A 51 -13.317 -3.028 8.316 1.00 0.00 C ATOM 727 O ALA A 51 -14.384 -3.587 8.568 1.00 0.00 O ATOM 728 CB ALA A 51 -11.168 -3.608 9.457 1.00 0.00 C ATOM 0 H ALA A 51 -10.315 -3.163 7.196 1.00 0.00 H new ATOM 0 HA ALA A 51 -12.283 -4.883 8.150 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -11.739 -3.880 10.345 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -10.273 -4.228 9.397 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -10.879 -2.559 9.519 1.00 0.00 H new ATOM 734 N ARG A 52 -13.216 -1.718 8.114 1.00 0.00 N ATOM 735 CA ARG A 52 -14.381 -0.843 8.176 1.00 0.00 C ATOM 736 C ARG A 52 -15.429 -1.267 7.151 1.00 0.00 C ATOM 737 O ARG A 52 -16.624 -1.293 7.443 1.00 0.00 O ATOM 738 CB ARG A 52 -13.969 0.609 7.933 1.00 0.00 C ATOM 739 CG ARG A 52 -14.732 1.610 8.787 1.00 0.00 C ATOM 740 CD ARG A 52 -13.957 2.908 8.949 1.00 0.00 C ATOM 741 NE ARG A 52 -13.561 3.473 7.662 1.00 0.00 N ATOM 742 CZ ARG A 52 -12.769 4.535 7.531 1.00 0.00 C ATOM 743 NH1 ARG A 52 -12.287 5.149 8.605 1.00 0.00 N ATOM 744 NH2 ARG A 52 -12.458 4.985 6.323 1.00 0.00 N ATOM 0 H ARG A 52 -12.340 -1.239 7.906 1.00 0.00 H new ATOM 0 HA ARG A 52 -14.816 -0.925 9.172 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -12.902 0.713 8.132 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -14.122 0.850 6.881 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -15.700 1.817 8.330 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -14.929 1.178 9.768 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -14.569 3.630 9.489 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -13.069 2.727 9.554 1.00 0.00 H new ATOM 0 HE ARG A 52 -13.912 3.028 6.814 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -12.523 4.807 9.537 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -11.681 5.962 8.498 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -12.826 4.517 5.494 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -11.851 5.799 6.222 1.00 0.00 H new ATOM 758 N HIS A 53 -14.969 -1.602 5.951 1.00 0.00 N ATOM 759 CA HIS A 53 -15.862 -2.029 4.880 1.00 0.00 C ATOM 760 C HIS A 53 -16.481 -3.387 5.198 1.00 0.00 C ATOM 761 O HIS A 53 -17.557 -3.721 4.700 1.00 0.00 O ATOM 762 CB HIS A 53 -15.103 -2.102 3.554 1.00 0.00 C ATOM 763 CG HIS A 53 -15.994 -2.273 2.364 1.00 0.00 C ATOM 764 ND1 HIS A 53 -17.039 -1.430 2.058 1.00 0.00 N ATOM 765 CD2 HIS A 53 -15.980 -3.220 1.390 1.00 0.00 C ATOM 766 CE1 HIS A 53 -17.615 -1.880 0.935 1.00 0.00 C ATOM 767 NE2 HIS A 53 -17.009 -2.964 0.489 1.00 0.00 N ATOM 0 H HIS A 53 -13.982 -1.586 5.695 1.00 0.00 H new ATOM 0 HA HIS A 53 -16.663 -1.294 4.794 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -14.516 -1.192 3.430 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -14.399 -2.933 3.593 1.00 0.00 H new ATOM 0 HD1 HIS A 53 -17.324 -0.609 2.592 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -15.281 -4.041 1.325 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -18.465 -1.416 0.457 1.00 0.00 H new ATOM 775 N LEU A 54 -15.796 -4.166 6.030 1.00 0.00 N ATOM 776 CA LEU A 54 -16.278 -5.489 6.414 1.00 0.00 C ATOM 777 C LEU A 54 -17.046 -5.431 7.732 1.00 0.00 C ATOM 778 O LEU A 54 -17.095 -6.412 8.474 1.00 0.00 O ATOM 779 CB LEU A 54 -15.107 -6.466 6.536 1.00 0.00 C ATOM 780 CG LEU A 54 -14.324 -6.706 5.245 1.00 0.00 C ATOM 781 CD1 LEU A 54 -13.124 -7.602 5.508 1.00 0.00 C ATOM 782 CD2 LEU A 54 -15.224 -7.317 4.182 1.00 0.00 C ATOM 0 H LEU A 54 -14.905 -3.904 6.451 1.00 0.00 H new ATOM 0 HA LEU A 54 -16.956 -5.839 5.636 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -14.420 -6.092 7.295 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -15.488 -7.422 6.894 1.00 0.00 H new ATOM 0 HG LEU A 54 -13.962 -5.746 4.878 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -12.579 -7.762 4.578 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -12.467 -7.126 6.237 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -13.465 -8.561 5.898 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -14.650 -7.481 3.270 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -15.616 -8.269 4.540 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -16.052 -6.639 3.973 1.00 0.00 H new ATOM 794 N LEU A 55 -17.645 -4.278 8.018 1.00 0.00 N ATOM 795 CA LEU A 55 -18.409 -4.100 9.247 1.00 0.00 C ATOM 796 C LEU A 55 -19.897 -4.330 8.999 1.00 0.00 C ATOM 797 O LEU A 55 -20.515 -5.190 9.626 1.00 0.00 O ATOM 798 CB LEU A 55 -18.186 -2.696 9.812 1.00 0.00 C ATOM 799 CG LEU A 55 -16.792 -2.444 10.391 1.00 0.00 C ATOM 800 CD1 LEU A 55 -16.708 -1.050 10.991 1.00 0.00 C ATOM 801 CD2 LEU A 55 -16.451 -3.498 11.434 1.00 0.00 C ATOM 0 H LEU A 55 -17.616 -3.455 7.416 1.00 0.00 H new ATOM 0 HA LEU A 55 -18.061 -4.835 9.972 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -18.371 -1.969 9.021 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -18.925 -2.513 10.592 1.00 0.00 H new ATOM 0 HG LEU A 55 -16.064 -2.513 9.582 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -15.710 -0.889 11.398 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -16.909 -0.308 10.218 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -17.445 -0.952 11.788 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -15.456 -3.304 11.836 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -17.182 -3.461 12.242 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -16.470 -4.486 10.973 1.00 0.00 H new ATOM 813 N SER A 56 -20.464 -3.556 8.081 1.00 0.00 N ATOM 814 CA SER A 56 -21.880 -3.675 7.748 1.00 0.00 C ATOM 815 C SER A 56 -22.082 -4.618 6.566 1.00 0.00 C ATOM 816 O SER A 56 -23.103 -5.299 6.469 1.00 0.00 O ATOM 817 CB SER A 56 -22.468 -2.301 7.427 1.00 0.00 C ATOM 818 OG SER A 56 -22.606 -1.518 8.600 1.00 0.00 O ATOM 0 H SER A 56 -19.966 -2.839 7.554 1.00 0.00 H new ATOM 0 HA SER A 56 -22.398 -4.089 8.613 1.00 0.00 H new ATOM 0 HB2 SER A 56 -21.825 -1.784 6.715 1.00 0.00 H new ATOM 0 HB3 SER A 56 -23.441 -2.421 6.950 1.00 0.00 H new ATOM 0 HG SER A 56 -22.982 -0.644 8.367 1.00 0.00 H new ATOM 824 N ASP A 57 -21.102 -4.651 5.669 1.00 0.00 N ATOM 825 CA ASP A 57 -21.171 -5.510 4.492 1.00 0.00 C ATOM 826 C ASP A 57 -19.872 -6.287 4.309 1.00 0.00 C ATOM 827 O ASP A 57 -18.889 -5.759 3.789 1.00 0.00 O ATOM 828 CB ASP A 57 -21.461 -4.676 3.243 1.00 0.00 C ATOM 829 CG ASP A 57 -22.842 -4.050 3.273 1.00 0.00 C ATOM 830 OD1 ASP A 57 -23.728 -4.601 3.959 1.00 0.00 O ATOM 831 OD2 ASP A 57 -23.036 -3.009 2.611 1.00 0.00 O ATOM 0 H ASP A 57 -20.251 -4.093 5.734 1.00 0.00 H new ATOM 0 HA ASP A 57 -21.982 -6.223 4.640 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -20.711 -3.890 3.152 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -21.370 -5.307 2.359 1.00 0.00 H new ATOM 836 N GLN A 58 -19.873 -7.544 4.741 1.00 0.00 N ATOM 837 CA GLN A 58 -18.694 -8.394 4.625 1.00 0.00 C ATOM 838 C GLN A 58 -18.399 -8.721 3.164 1.00 0.00 C ATOM 839 O GLN A 58 -18.714 -9.811 2.686 1.00 0.00 O ATOM 840 CB GLN A 58 -18.891 -9.687 5.420 1.00 0.00 C ATOM 841 CG GLN A 58 -18.588 -9.541 6.902 1.00 0.00 C ATOM 842 CD GLN A 58 -19.843 -9.486 7.750 1.00 0.00 C ATOM 843 OE1 GLN A 58 -20.867 -10.077 7.403 1.00 0.00 O ATOM 844 NE2 GLN A 58 -19.772 -8.776 8.869 1.00 0.00 N ATOM 0 H GLN A 58 -20.678 -7.996 5.175 1.00 0.00 H new ATOM 0 HA GLN A 58 -17.843 -7.850 5.035 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -19.920 -10.025 5.300 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -18.250 -10.463 5.001 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -17.970 -10.378 7.227 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -18.005 -8.634 7.062 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -18.904 -8.302 9.118 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -20.586 -8.704 9.480 1.00 0.00 H new ATOM 853 N THR A 59 -17.794 -7.770 2.460 1.00 0.00 N ATOM 854 CA THR A 59 -17.457 -7.958 1.054 1.00 0.00 C ATOM 855 C THR A 59 -16.336 -7.013 0.631 1.00 0.00 C ATOM 856 O THR A 59 -15.851 -6.212 1.431 1.00 0.00 O ATOM 857 CB THR A 59 -18.689 -7.731 0.178 1.00 0.00 C ATOM 858 OG1 THR A 59 -19.292 -6.484 0.475 1.00 0.00 O ATOM 859 CG2 THR A 59 -19.745 -8.802 0.340 1.00 0.00 C ATOM 0 H THR A 59 -17.527 -6.862 2.840 1.00 0.00 H new ATOM 0 HA THR A 59 -17.111 -8.983 0.924 1.00 0.00 H new ATOM 0 HB THR A 59 -18.323 -7.758 -0.848 1.00 0.00 H new ATOM 0 HG1 THR A 59 -20.256 -6.539 0.307 1.00 0.00 H new ATOM 0 HG21 THR A 59 -20.591 -8.580 -0.310 1.00 0.00 H new ATOM 0 HG22 THR A 59 -19.325 -9.771 0.070 1.00 0.00 H new ATOM 0 HG23 THR A 59 -20.081 -8.828 1.377 1.00 0.00 H new ATOM 867 N ASP A 60 -15.928 -7.114 -0.629 1.00 0.00 N ATOM 868 CA ASP A 60 -14.864 -6.270 -1.159 1.00 0.00 C ATOM 869 C ASP A 60 -15.426 -4.945 -1.671 1.00 0.00 C ATOM 870 O ASP A 60 -16.496 -4.911 -2.278 1.00 0.00 O ATOM 871 CB ASP A 60 -14.124 -6.994 -2.285 1.00 0.00 C ATOM 872 CG ASP A 60 -12.650 -6.642 -2.329 1.00 0.00 C ATOM 873 OD1 ASP A 60 -11.961 -6.841 -1.306 1.00 0.00 O ATOM 874 OD2 ASP A 60 -12.185 -6.167 -3.386 1.00 0.00 O ATOM 0 H ASP A 60 -16.318 -7.773 -1.303 1.00 0.00 H new ATOM 0 HA ASP A 60 -14.163 -6.059 -0.351 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -14.234 -8.071 -2.155 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -14.584 -6.740 -3.240 1.00 0.00 H new ATOM 879 N PRO A 61 -14.711 -3.830 -1.435 1.00 0.00 N ATOM 880 CA PRO A 61 -15.150 -2.504 -1.877 1.00 0.00 C ATOM 881 C PRO A 61 -14.970 -2.294 -3.379 1.00 0.00 C ATOM 882 O PRO A 61 -15.458 -1.311 -3.938 1.00 0.00 O ATOM 883 CB PRO A 61 -14.241 -1.558 -1.094 1.00 0.00 C ATOM 884 CG PRO A 61 -12.994 -2.339 -0.866 1.00 0.00 C ATOM 885 CD PRO A 61 -13.422 -3.775 -0.718 1.00 0.00 C ATOM 0 HA PRO A 61 -16.214 -2.348 -1.699 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -14.040 -0.646 -1.656 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -14.699 -1.258 -0.151 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -12.303 -2.222 -1.701 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -12.475 -1.993 0.028 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -12.692 -4.458 -1.153 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -13.534 -4.054 0.330 1.00 0.00 H new ATOM 893 N PHE A 62 -14.266 -3.217 -4.028 1.00 0.00 N ATOM 894 CA PHE A 62 -14.025 -3.121 -5.464 1.00 0.00 C ATOM 895 C PHE A 62 -14.748 -4.232 -6.218 1.00 0.00 C ATOM 896 O PHE A 62 -15.320 -4.001 -7.285 1.00 0.00 O ATOM 897 CB PHE A 62 -12.525 -3.188 -5.754 1.00 0.00 C ATOM 898 CG PHE A 62 -11.700 -2.310 -4.856 1.00 0.00 C ATOM 899 CD1 PHE A 62 -11.721 -0.932 -5.001 1.00 0.00 C ATOM 900 CD2 PHE A 62 -10.902 -2.865 -3.867 1.00 0.00 C ATOM 901 CE1 PHE A 62 -10.962 -0.124 -4.176 1.00 0.00 C ATOM 902 CE2 PHE A 62 -10.142 -2.060 -3.039 1.00 0.00 C ATOM 903 CZ PHE A 62 -10.172 -0.689 -3.193 1.00 0.00 C ATOM 0 H PHE A 62 -13.854 -4.037 -3.584 1.00 0.00 H new ATOM 0 HA PHE A 62 -14.416 -2.163 -5.807 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -12.189 -4.219 -5.649 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -12.350 -2.900 -6.791 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -12.337 -0.485 -5.767 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -10.874 -3.937 -3.742 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -10.986 0.949 -4.299 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -9.525 -2.504 -2.272 1.00 0.00 H new ATOM 0 HZ PHE A 62 -9.579 -0.059 -2.547 1.00 0.00 H new ATOM 913 N ASN A 63 -14.717 -5.439 -5.663 1.00 0.00 N ATOM 914 CA ASN A 63 -15.367 -6.586 -6.288 1.00 0.00 C ATOM 915 C ASN A 63 -16.793 -6.760 -5.774 1.00 0.00 C ATOM 916 O ASN A 63 -17.657 -7.280 -6.480 1.00 0.00 O ATOM 917 CB ASN A 63 -14.560 -7.860 -6.028 1.00 0.00 C ATOM 918 CG ASN A 63 -14.543 -8.786 -7.227 1.00 0.00 C ATOM 919 OD1 ASN A 63 -15.449 -8.762 -8.059 1.00 0.00 O ATOM 920 ND2 ASN A 63 -13.506 -9.612 -7.322 1.00 0.00 N ATOM 0 H ASN A 63 -14.249 -5.649 -4.781 1.00 0.00 H new ATOM 0 HA ASN A 63 -15.411 -6.402 -7.361 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -13.537 -7.592 -5.765 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -14.982 -8.386 -5.172 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -13.440 -10.259 -8.108 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -12.776 -9.599 -6.609 1.00 0.00 H new ATOM 927 N ARG A 64 -17.033 -6.327 -4.540 1.00 0.00 N ATOM 928 CA ARG A 64 -18.356 -6.440 -3.934 1.00 0.00 C ATOM 929 C ARG A 64 -18.752 -7.904 -3.768 1.00 0.00 C ATOM 930 O ARG A 64 -19.932 -8.250 -3.827 1.00 0.00 O ATOM 931 CB ARG A 64 -19.396 -5.706 -4.786 1.00 0.00 C ATOM 932 CG ARG A 64 -20.142 -4.617 -4.031 1.00 0.00 C ATOM 933 CD ARG A 64 -21.382 -5.163 -3.340 1.00 0.00 C ATOM 934 NE ARG A 64 -21.434 -4.787 -1.930 1.00 0.00 N ATOM 935 CZ ARG A 64 -22.270 -5.330 -1.047 1.00 0.00 C ATOM 936 NH1 ARG A 64 -23.124 -6.274 -1.425 1.00 0.00 N ATOM 937 NH2 ARG A 64 -22.252 -4.929 0.217 1.00 0.00 N ATOM 0 H ARG A 64 -16.330 -5.895 -3.941 1.00 0.00 H new ATOM 0 HA ARG A 64 -18.319 -5.979 -2.947 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -18.899 -5.263 -5.649 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -20.116 -6.429 -5.169 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -19.480 -4.168 -3.290 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -20.429 -3.825 -4.723 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -22.273 -4.792 -3.847 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -21.396 -6.250 -3.426 1.00 0.00 H new ATOM 0 HE ARG A 64 -20.792 -4.066 -1.602 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -23.142 -6.587 -2.396 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -23.762 -6.687 -0.745 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -21.598 -4.205 0.513 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -22.892 -5.345 0.893 1.00 0.00 H new ATOM 951 N SER A 65 -17.757 -8.760 -3.557 1.00 0.00 N ATOM 952 CA SER A 65 -17.999 -10.187 -3.381 1.00 0.00 C ATOM 953 C SER A 65 -17.803 -10.593 -1.920 1.00 0.00 C ATOM 954 O SER A 65 -17.246 -9.834 -1.128 1.00 0.00 O ATOM 955 CB SER A 65 -17.062 -10.997 -4.280 1.00 0.00 C ATOM 956 OG SER A 65 -17.774 -11.596 -5.350 1.00 0.00 O ATOM 0 H SER A 65 -16.775 -8.490 -3.504 1.00 0.00 H new ATOM 0 HA SER A 65 -19.031 -10.396 -3.663 1.00 0.00 H new ATOM 0 HB2 SER A 65 -16.282 -10.347 -4.677 1.00 0.00 H new ATOM 0 HB3 SER A 65 -16.566 -11.769 -3.692 1.00 0.00 H new ATOM 0 HG SER A 65 -17.153 -12.106 -5.911 1.00 0.00 H new ATOM 962 N PRO A 66 -18.261 -11.800 -1.544 1.00 0.00 N ATOM 963 CA PRO A 66 -18.131 -12.300 -0.171 1.00 0.00 C ATOM 964 C PRO A 66 -16.675 -12.402 0.271 1.00 0.00 C ATOM 965 O PRO A 66 -15.929 -13.257 -0.205 1.00 0.00 O ATOM 966 CB PRO A 66 -18.775 -13.691 -0.224 1.00 0.00 C ATOM 967 CG PRO A 66 -18.791 -14.061 -1.667 1.00 0.00 C ATOM 968 CD PRO A 66 -18.937 -12.771 -2.421 1.00 0.00 C ATOM 0 HA PRO A 66 -18.603 -11.631 0.549 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -18.203 -14.412 0.361 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -19.784 -13.674 0.189 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -17.872 -14.576 -1.948 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -19.616 -14.738 -1.888 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -18.469 -12.822 -3.404 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -19.984 -12.512 -2.580 1.00 0.00 H new ATOM 976 N LEU A 67 -16.278 -11.522 1.186 1.00 0.00 N ATOM 977 CA LEU A 67 -14.912 -11.510 1.694 1.00 0.00 C ATOM 978 C LEU A 67 -14.895 -11.250 3.198 1.00 0.00 C ATOM 979 O LEU A 67 -15.766 -10.560 3.727 1.00 0.00 O ATOM 980 CB LEU A 67 -14.085 -10.446 0.970 1.00 0.00 C ATOM 981 CG LEU A 67 -12.650 -10.284 1.473 1.00 0.00 C ATOM 982 CD1 LEU A 67 -11.768 -11.405 0.945 1.00 0.00 C ATOM 983 CD2 LEU A 67 -12.093 -8.928 1.068 1.00 0.00 C ATOM 0 H LEU A 67 -16.884 -10.808 1.590 1.00 0.00 H new ATOM 0 HA LEU A 67 -14.472 -12.489 1.507 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -14.056 -10.692 -0.092 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -14.596 -9.487 1.061 1.00 0.00 H new ATOM 0 HG LEU A 67 -12.659 -10.340 2.562 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -10.751 -11.272 1.314 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -12.156 -12.365 1.287 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -11.765 -11.383 -0.145 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -11.071 -8.830 1.434 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -12.099 -8.842 -0.019 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -12.710 -8.138 1.498 1.00 0.00 H new ATOM 995 N THR A 68 -13.899 -11.807 3.879 1.00 0.00 N ATOM 996 CA THR A 68 -13.771 -11.634 5.322 1.00 0.00 C ATOM 997 C THR A 68 -12.317 -11.397 5.714 1.00 0.00 C ATOM 998 O THR A 68 -11.424 -11.405 4.866 1.00 0.00 O ATOM 999 CB THR A 68 -14.315 -12.862 6.054 1.00 0.00 C ATOM 1000 OG1 THR A 68 -13.952 -14.052 5.377 1.00 0.00 O ATOM 1001 CG2 THR A 68 -15.822 -12.855 6.196 1.00 0.00 C ATOM 0 H THR A 68 -13.170 -12.381 3.456 1.00 0.00 H new ATOM 0 HA THR A 68 -14.354 -10.759 5.611 1.00 0.00 H new ATOM 0 HB THR A 68 -13.872 -12.824 7.049 1.00 0.00 H new ATOM 0 HG1 THR A 68 -14.308 -14.826 5.862 1.00 0.00 H new ATOM 0 HG21 THR A 68 -16.142 -13.753 6.724 1.00 0.00 H new ATOM 0 HG22 THR A 68 -16.130 -11.974 6.759 1.00 0.00 H new ATOM 0 HG23 THR A 68 -16.281 -12.833 5.207 1.00 0.00 H new ATOM 1009 N MET A 69 -12.084 -11.187 7.006 1.00 0.00 N ATOM 1010 CA MET A 69 -10.738 -10.949 7.512 1.00 0.00 C ATOM 1011 C MET A 69 -9.878 -12.204 7.385 1.00 0.00 C ATOM 1012 O MET A 69 -8.661 -12.120 7.217 1.00 0.00 O ATOM 1013 CB MET A 69 -10.791 -10.498 8.974 1.00 0.00 C ATOM 1014 CG MET A 69 -9.825 -9.369 9.298 1.00 0.00 C ATOM 1015 SD MET A 69 -10.647 -7.772 9.461 1.00 0.00 S ATOM 1016 CE MET A 69 -9.772 -6.814 8.227 1.00 0.00 C ATOM 0 H MET A 69 -12.811 -11.177 7.721 1.00 0.00 H new ATOM 0 HA MET A 69 -10.286 -10.159 6.912 1.00 0.00 H new ATOM 0 HB2 MET A 69 -11.805 -10.176 9.210 1.00 0.00 H new ATOM 0 HB3 MET A 69 -10.570 -11.350 9.617 1.00 0.00 H new ATOM 0 HG2 MET A 69 -9.302 -9.600 10.226 1.00 0.00 H new ATOM 0 HG3 MET A 69 -9.071 -9.306 8.514 1.00 0.00 H new ATOM 0 HE1 MET A 69 -9.198 -6.028 8.717 1.00 0.00 H new ATOM 0 HE2 MET A 69 -9.096 -7.465 7.673 1.00 0.00 H new ATOM 0 HE3 MET A 69 -10.489 -6.365 7.539 1.00 0.00 H new ATOM 1026 N ASP A 70 -10.520 -13.364 7.466 1.00 0.00 N ATOM 1027 CA ASP A 70 -9.816 -14.637 7.361 1.00 0.00 C ATOM 1028 C ASP A 70 -9.289 -14.852 5.945 1.00 0.00 C ATOM 1029 O ASP A 70 -8.259 -15.497 5.747 1.00 0.00 O ATOM 1030 CB ASP A 70 -10.740 -15.790 7.753 1.00 0.00 C ATOM 1031 CG ASP A 70 -10.989 -15.848 9.249 1.00 0.00 C ATOM 1032 OD1 ASP A 70 -11.574 -14.888 9.791 1.00 0.00 O ATOM 1033 OD2 ASP A 70 -10.598 -16.855 9.876 1.00 0.00 O ATOM 0 H ASP A 70 -11.527 -13.449 7.604 1.00 0.00 H new ATOM 0 HA ASP A 70 -8.968 -14.612 8.046 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -11.692 -15.682 7.233 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -10.301 -16.732 7.424 1.00 0.00 H new ATOM 1038 N GLN A 71 -10.002 -14.310 4.963 1.00 0.00 N ATOM 1039 CA GLN A 71 -9.607 -14.444 3.567 1.00 0.00 C ATOM 1040 C GLN A 71 -8.423 -13.538 3.245 1.00 0.00 C ATOM 1041 O GLN A 71 -7.421 -13.985 2.686 1.00 0.00 O ATOM 1042 CB GLN A 71 -10.784 -14.110 2.648 1.00 0.00 C ATOM 1043 CG GLN A 71 -12.000 -14.993 2.872 1.00 0.00 C ATOM 1044 CD GLN A 71 -12.974 -14.952 1.711 1.00 0.00 C ATOM 1045 OE1 GLN A 71 -14.160 -14.673 1.889 1.00 0.00 O ATOM 1046 NE2 GLN A 71 -12.477 -15.229 0.511 1.00 0.00 N ATOM 0 H GLN A 71 -10.857 -13.773 5.109 1.00 0.00 H new ATOM 0 HA GLN A 71 -9.305 -15.478 3.400 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -11.069 -13.069 2.800 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -10.463 -14.205 1.611 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -11.673 -16.021 3.031 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -12.511 -14.677 3.781 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -11.488 -15.455 0.409 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -13.085 -15.216 -0.308 1.00 0.00 H new ATOM 1055 N ILE A 72 -8.544 -12.264 3.602 1.00 0.00 N ATOM 1056 CA ILE A 72 -7.483 -11.296 3.352 1.00 0.00 C ATOM 1057 C ILE A 72 -6.238 -11.620 4.172 1.00 0.00 C ATOM 1058 O ILE A 72 -6.332 -12.169 5.269 1.00 0.00 O ATOM 1059 CB ILE A 72 -7.941 -9.862 3.678 1.00 0.00 C ATOM 1060 CG1 ILE A 72 -8.368 -9.759 5.144 1.00 0.00 C ATOM 1061 CG2 ILE A 72 -9.081 -9.448 2.759 1.00 0.00 C ATOM 1062 CD1 ILE A 72 -7.243 -9.358 6.073 1.00 0.00 C ATOM 0 H ILE A 72 -9.366 -11.878 4.065 1.00 0.00 H new ATOM 0 HA ILE A 72 -7.242 -11.359 2.291 1.00 0.00 H new ATOM 0 HB ILE A 72 -7.103 -9.184 3.515 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -9.175 -9.032 5.229 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -8.769 -10.720 5.466 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -9.394 -8.432 3.002 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -8.745 -9.486 1.723 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -9.922 -10.128 2.893 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -7.617 -9.304 7.095 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -6.444 -10.097 6.017 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -6.856 -8.383 5.777 1.00 0.00 H new ATOM 1074 N ARG A 73 -5.074 -11.277 3.631 1.00 0.00 N ATOM 1075 CA ARG A 73 -3.811 -11.531 4.313 1.00 0.00 C ATOM 1076 C ARG A 73 -2.883 -10.323 4.210 1.00 0.00 C ATOM 1077 O ARG A 73 -2.971 -9.542 3.263 1.00 0.00 O ATOM 1078 CB ARG A 73 -3.127 -12.765 3.720 1.00 0.00 C ATOM 1079 CG ARG A 73 -3.735 -14.080 4.184 1.00 0.00 C ATOM 1080 CD ARG A 73 -2.700 -14.969 4.855 1.00 0.00 C ATOM 1081 NE ARG A 73 -3.264 -15.715 5.978 1.00 0.00 N ATOM 1082 CZ ARG A 73 -4.038 -16.789 5.841 1.00 0.00 C ATOM 1083 NH1 ARG A 73 -4.339 -17.248 4.633 1.00 0.00 N ATOM 1084 NH2 ARG A 73 -4.511 -17.407 6.915 1.00 0.00 N ATOM 0 H ARG A 73 -4.979 -10.823 2.723 1.00 0.00 H new ATOM 0 HA ARG A 73 -4.026 -11.713 5.366 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -3.181 -12.713 2.633 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -2.070 -12.748 3.988 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -4.549 -13.879 4.880 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -4.167 -14.603 3.331 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -2.293 -15.667 4.124 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -1.870 -14.357 5.207 1.00 0.00 H new ATOM 0 HE ARG A 73 -3.052 -15.394 6.923 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -3.977 -16.777 3.804 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -4.933 -18.072 4.534 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -4.282 -17.059 7.846 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -5.104 -18.230 6.810 1.00 0.00 H new ATOM 1098 N PRO A 74 -1.976 -10.154 5.188 1.00 0.00 N ATOM 1099 CA PRO A 74 -1.030 -9.035 5.204 1.00 0.00 C ATOM 1100 C PRO A 74 0.039 -9.165 4.124 1.00 0.00 C ATOM 1101 O PRO A 74 0.688 -10.204 4.000 1.00 0.00 O ATOM 1102 CB PRO A 74 -0.398 -9.123 6.594 1.00 0.00 C ATOM 1103 CG PRO A 74 -0.522 -10.557 6.975 1.00 0.00 C ATOM 1104 CD PRO A 74 -1.803 -11.041 6.355 1.00 0.00 C ATOM 0 HA PRO A 74 -1.522 -8.083 5.005 1.00 0.00 H new ATOM 0 HB2 PRO A 74 0.645 -8.807 6.576 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -0.914 -8.478 7.305 1.00 0.00 H new ATOM 0 HG2 PRO A 74 0.329 -11.132 6.611 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -0.545 -10.672 8.059 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -1.735 -12.087 6.058 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -2.640 -10.961 7.048 1.00 0.00 H new ATOM 1112 N ASN A 75 0.216 -8.104 3.343 1.00 0.00 N ATOM 1113 CA ASN A 75 1.208 -8.099 2.273 1.00 0.00 C ATOM 1114 C ASN A 75 2.608 -7.872 2.831 1.00 0.00 C ATOM 1115 O ASN A 75 3.064 -6.735 2.950 1.00 0.00 O ATOM 1116 CB ASN A 75 0.873 -7.017 1.246 1.00 0.00 C ATOM 1117 CG ASN A 75 1.265 -7.415 -0.163 1.00 0.00 C ATOM 1118 OD1 ASN A 75 1.541 -8.582 -0.436 1.00 0.00 O ATOM 1119 ND2 ASN A 75 1.290 -6.441 -1.067 1.00 0.00 N ATOM 0 H ASN A 75 -0.314 -7.237 3.431 1.00 0.00 H new ATOM 0 HA ASN A 75 1.186 -9.073 1.785 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -0.197 -6.809 1.277 1.00 0.00 H new ATOM 0 HB3 ASN A 75 1.385 -6.093 1.515 1.00 0.00 H new ATOM 0 HD21 ASN A 75 1.546 -6.648 -2.033 1.00 0.00 H new ATOM 0 HD22 ASN A 75 1.053 -5.487 -0.795 1.00 0.00 H new ATOM 1126 N THR A 76 3.288 -8.963 3.171 1.00 0.00 N ATOM 1127 CA THR A 76 4.638 -8.884 3.716 1.00 0.00 C ATOM 1128 C THR A 76 5.599 -8.269 2.704 1.00 0.00 C ATOM 1129 O THR A 76 6.479 -7.487 3.065 1.00 0.00 O ATOM 1130 CB THR A 76 5.128 -10.275 4.122 1.00 0.00 C ATOM 1131 OG1 THR A 76 4.033 -11.139 4.373 1.00 0.00 O ATOM 1132 CG2 THR A 76 5.997 -10.265 5.361 1.00 0.00 C ATOM 0 H THR A 76 2.926 -9.912 3.078 1.00 0.00 H new ATOM 0 HA THR A 76 4.610 -8.244 4.598 1.00 0.00 H new ATOM 0 HB THR A 76 5.725 -10.628 3.281 1.00 0.00 H new ATOM 0 HG1 THR A 76 4.367 -12.024 4.630 1.00 0.00 H new ATOM 0 HG21 THR A 76 6.310 -11.283 5.594 1.00 0.00 H new ATOM 0 HG22 THR A 76 6.877 -9.646 5.184 1.00 0.00 H new ATOM 0 HG23 THR A 76 5.431 -9.859 6.199 1.00 0.00 H new ATOM 1140 N GLU A 77 5.424 -8.626 1.435 1.00 0.00 N ATOM 1141 CA GLU A 77 6.276 -8.108 0.371 1.00 0.00 C ATOM 1142 C GLU A 77 6.183 -6.588 0.290 1.00 0.00 C ATOM 1143 O GLU A 77 7.148 -5.916 -0.077 1.00 0.00 O ATOM 1144 CB GLU A 77 5.882 -8.728 -0.972 1.00 0.00 C ATOM 1145 CG GLU A 77 6.714 -9.945 -1.346 1.00 0.00 C ATOM 1146 CD GLU A 77 7.809 -9.617 -2.343 1.00 0.00 C ATOM 1147 OE1 GLU A 77 7.546 -9.691 -3.561 1.00 0.00 O ATOM 1148 OE2 GLU A 77 8.931 -9.286 -1.904 1.00 0.00 O ATOM 0 H GLU A 77 4.700 -9.272 1.119 1.00 0.00 H new ATOM 0 HA GLU A 77 7.307 -8.378 0.600 1.00 0.00 H new ATOM 0 HB2 GLU A 77 4.831 -9.013 -0.937 1.00 0.00 H new ATOM 0 HB3 GLU A 77 5.982 -7.975 -1.754 1.00 0.00 H new ATOM 0 HG2 GLU A 77 7.161 -10.366 -0.445 1.00 0.00 H new ATOM 0 HG3 GLU A 77 6.062 -10.711 -1.766 1.00 0.00 H new ATOM 1155 N LEU A 78 5.017 -6.051 0.634 1.00 0.00 N ATOM 1156 CA LEU A 78 4.799 -4.610 0.599 1.00 0.00 C ATOM 1157 C LEU A 78 5.248 -3.960 1.905 1.00 0.00 C ATOM 1158 O LEU A 78 5.917 -2.927 1.897 1.00 0.00 O ATOM 1159 CB LEU A 78 3.322 -4.302 0.345 1.00 0.00 C ATOM 1160 CG LEU A 78 2.992 -2.820 0.160 1.00 0.00 C ATOM 1161 CD1 LEU A 78 3.845 -2.217 -0.946 1.00 0.00 C ATOM 1162 CD2 LEU A 78 1.514 -2.638 -0.147 1.00 0.00 C ATOM 0 H LEU A 78 4.209 -6.592 0.940 1.00 0.00 H new ATOM 0 HA LEU A 78 5.394 -4.198 -0.216 1.00 0.00 H new ATOM 0 HB2 LEU A 78 3.001 -4.844 -0.545 1.00 0.00 H new ATOM 0 HB3 LEU A 78 2.737 -4.687 1.180 1.00 0.00 H new ATOM 0 HG LEU A 78 3.217 -2.299 1.090 1.00 0.00 H new ATOM 0 HD11 LEU A 78 3.596 -1.162 -1.063 1.00 0.00 H new ATOM 0 HD12 LEU A 78 4.899 -2.315 -0.687 1.00 0.00 H new ATOM 0 HD13 LEU A 78 3.652 -2.742 -1.882 1.00 0.00 H new ATOM 0 HD21 LEU A 78 1.297 -1.578 -0.276 1.00 0.00 H new ATOM 0 HD22 LEU A 78 1.264 -3.173 -1.063 1.00 0.00 H new ATOM 0 HD23 LEU A 78 0.920 -3.033 0.677 1.00 0.00 H new ATOM 1174 N LYS A 79 4.874 -4.572 3.024 1.00 0.00 N ATOM 1175 CA LYS A 79 5.236 -4.052 4.339 1.00 0.00 C ATOM 1176 C LYS A 79 6.750 -3.922 4.476 1.00 0.00 C ATOM 1177 O LYS A 79 7.251 -2.960 5.058 1.00 0.00 O ATOM 1178 CB LYS A 79 4.691 -4.964 5.439 1.00 0.00 C ATOM 1179 CG LYS A 79 4.409 -4.238 6.745 1.00 0.00 C ATOM 1180 CD LYS A 79 4.992 -4.982 7.936 1.00 0.00 C ATOM 1181 CE LYS A 79 4.428 -4.461 9.249 1.00 0.00 C ATOM 1182 NZ LYS A 79 3.327 -5.321 9.764 1.00 0.00 N ATOM 0 H LYS A 79 4.321 -5.428 3.047 1.00 0.00 H new ATOM 0 HA LYS A 79 4.793 -3.062 4.444 1.00 0.00 H new ATOM 0 HB2 LYS A 79 3.772 -5.434 5.088 1.00 0.00 H new ATOM 0 HB3 LYS A 79 5.408 -5.764 5.625 1.00 0.00 H new ATOM 0 HG2 LYS A 79 4.829 -3.233 6.702 1.00 0.00 H new ATOM 0 HG3 LYS A 79 3.332 -4.128 6.876 1.00 0.00 H new ATOM 0 HD2 LYS A 79 4.776 -6.046 7.843 1.00 0.00 H new ATOM 0 HD3 LYS A 79 6.077 -4.876 7.937 1.00 0.00 H new ATOM 0 HE2 LYS A 79 5.225 -4.410 9.991 1.00 0.00 H new ATOM 0 HE3 LYS A 79 4.059 -3.445 9.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 2.971 -4.930 10.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 2.555 -5.350 9.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 3.685 -6.284 9.924 1.00 0.00 H new ATOM 1196 N GLU A 80 7.475 -4.897 3.935 1.00 0.00 N ATOM 1197 CA GLU A 80 8.931 -4.890 3.997 1.00 0.00 C ATOM 1198 C GLU A 80 9.502 -3.702 3.231 1.00 0.00 C ATOM 1199 O GLU A 80 10.552 -3.165 3.588 1.00 0.00 O ATOM 1200 CB GLU A 80 9.492 -6.195 3.430 1.00 0.00 C ATOM 1201 CG GLU A 80 9.350 -7.379 4.373 1.00 0.00 C ATOM 1202 CD GLU A 80 10.539 -8.318 4.313 1.00 0.00 C ATOM 1203 OE1 GLU A 80 10.860 -8.799 3.205 1.00 0.00 O ATOM 1204 OE2 GLU A 80 11.149 -8.572 5.372 1.00 0.00 O ATOM 0 H GLU A 80 7.077 -5.701 3.449 1.00 0.00 H new ATOM 0 HA GLU A 80 9.225 -4.800 5.043 1.00 0.00 H new ATOM 0 HB2 GLU A 80 8.982 -6.424 2.494 1.00 0.00 H new ATOM 0 HB3 GLU A 80 10.547 -6.055 3.193 1.00 0.00 H new ATOM 0 HG2 GLU A 80 9.231 -7.014 5.393 1.00 0.00 H new ATOM 0 HG3 GLU A 80 8.443 -7.930 4.124 1.00 0.00 H new ATOM 1211 N LYS A 81 8.804 -3.295 2.175 1.00 0.00 N ATOM 1212 CA LYS A 81 9.242 -2.170 1.357 1.00 0.00 C ATOM 1213 C LYS A 81 9.017 -0.848 2.084 1.00 0.00 C ATOM 1214 O LYS A 81 9.771 0.108 1.901 1.00 0.00 O ATOM 1215 CB LYS A 81 8.496 -2.164 0.021 1.00 0.00 C ATOM 1216 CG LYS A 81 8.843 -3.343 -0.874 1.00 0.00 C ATOM 1217 CD LYS A 81 7.978 -3.370 -2.125 1.00 0.00 C ATOM 1218 CE LYS A 81 8.795 -3.094 -3.377 1.00 0.00 C ATOM 1219 NZ LYS A 81 9.175 -1.658 -3.489 1.00 0.00 N ATOM 0 H LYS A 81 7.933 -3.727 1.866 1.00 0.00 H new ATOM 0 HA LYS A 81 10.310 -2.283 1.169 1.00 0.00 H new ATOM 0 HB2 LYS A 81 7.423 -2.168 0.213 1.00 0.00 H new ATOM 0 HB3 LYS A 81 8.722 -1.238 -0.508 1.00 0.00 H new ATOM 0 HG2 LYS A 81 9.894 -3.288 -1.159 1.00 0.00 H new ATOM 0 HG3 LYS A 81 8.711 -4.272 -0.320 1.00 0.00 H new ATOM 0 HD2 LYS A 81 7.494 -4.343 -2.213 1.00 0.00 H new ATOM 0 HD3 LYS A 81 7.185 -2.627 -2.036 1.00 0.00 H new ATOM 0 HE2 LYS A 81 9.696 -3.708 -3.365 1.00 0.00 H new ATOM 0 HE3 LYS A 81 8.221 -3.387 -4.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 9.731 -1.513 -4.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 8.316 -1.073 -3.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 9.744 -1.384 -2.663 1.00 0.00 H new ATOM 1233 N ILE A 82 7.977 -0.801 2.911 1.00 0.00 N ATOM 1234 CA ILE A 82 7.657 0.405 3.665 1.00 0.00 C ATOM 1235 C ILE A 82 8.715 0.681 4.729 1.00 0.00 C ATOM 1236 O ILE A 82 9.139 1.822 4.916 1.00 0.00 O ATOM 1237 CB ILE A 82 6.277 0.294 4.345 1.00 0.00 C ATOM 1238 CG1 ILE A 82 5.209 -0.095 3.321 1.00 0.00 C ATOM 1239 CG2 ILE A 82 5.911 1.606 5.024 1.00 0.00 C ATOM 1240 CD1 ILE A 82 3.949 -0.651 3.944 1.00 0.00 C ATOM 0 H ILE A 82 7.343 -1.583 3.075 1.00 0.00 H new ATOM 0 HA ILE A 82 7.636 1.229 2.952 1.00 0.00 H new ATOM 0 HB ILE A 82 6.327 -0.485 5.106 1.00 0.00 H new ATOM 0 HG12 ILE A 82 4.954 0.781 2.724 1.00 0.00 H new ATOM 0 HG13 ILE A 82 5.625 -0.836 2.638 1.00 0.00 H new ATOM 0 HG21 ILE A 82 4.934 1.510 5.499 1.00 0.00 H new ATOM 0 HG22 ILE A 82 6.660 1.846 5.779 1.00 0.00 H new ATOM 0 HG23 ILE A 82 5.877 2.403 4.281 1.00 0.00 H new ATOM 0 HD11 ILE A 82 3.237 -0.905 3.159 1.00 0.00 H new ATOM 0 HD12 ILE A 82 4.191 -1.546 4.518 1.00 0.00 H new ATOM 0 HD13 ILE A 82 3.510 0.096 4.605 1.00 0.00 H new ATOM 1252 N GLN A 83 9.141 -0.371 5.421 1.00 0.00 N ATOM 1253 CA GLN A 83 10.151 -0.241 6.464 1.00 0.00 C ATOM 1254 C GLN A 83 11.511 0.098 5.864 1.00 0.00 C ATOM 1255 O GLN A 83 12.322 0.784 6.487 1.00 0.00 O ATOM 1256 CB GLN A 83 10.246 -1.536 7.273 1.00 0.00 C ATOM 1257 CG GLN A 83 8.898 -2.065 7.735 1.00 0.00 C ATOM 1258 CD GLN A 83 8.636 -1.796 9.203 1.00 0.00 C ATOM 1259 OE1 GLN A 83 9.404 -1.097 9.865 1.00 0.00 O ATOM 1260 NE2 GLN A 83 7.546 -2.351 9.721 1.00 0.00 N ATOM 0 H GLN A 83 8.802 -1.322 5.278 1.00 0.00 H new ATOM 0 HA GLN A 83 9.853 0.572 7.126 1.00 0.00 H new ATOM 0 HB2 GLN A 83 10.738 -2.298 6.668 1.00 0.00 H new ATOM 0 HB3 GLN A 83 10.878 -1.365 8.145 1.00 0.00 H new ATOM 0 HG2 GLN A 83 8.109 -1.606 7.139 1.00 0.00 H new ATOM 0 HG3 GLN A 83 8.852 -3.139 7.553 1.00 0.00 H new ATOM 0 HE21 GLN A 83 6.938 -2.923 9.135 1.00 0.00 H new ATOM 0 HE22 GLN A 83 7.317 -2.205 10.704 1.00 0.00 H new ATOM 1269 N ARG A 84 11.754 -0.385 4.650 1.00 0.00 N ATOM 1270 CA ARG A 84 13.016 -0.132 3.964 1.00 0.00 C ATOM 1271 C ARG A 84 13.042 1.277 3.379 1.00 0.00 C ATOM 1272 O ARG A 84 14.080 1.937 3.367 1.00 0.00 O ATOM 1273 CB ARG A 84 13.234 -1.165 2.857 1.00 0.00 C ATOM 1274 CG ARG A 84 14.591 -1.851 2.923 1.00 0.00 C ATOM 1275 CD ARG A 84 14.483 -3.255 3.500 1.00 0.00 C ATOM 1276 NE ARG A 84 14.993 -4.267 2.577 1.00 0.00 N ATOM 1277 CZ ARG A 84 14.308 -4.735 1.536 1.00 0.00 C ATOM 1278 NH1 ARG A 84 13.085 -4.287 1.282 1.00 0.00 N ATOM 1279 NH2 ARG A 84 14.847 -5.655 0.748 1.00 0.00 N ATOM 0 H ARG A 84 11.093 -0.954 4.121 1.00 0.00 H new ATOM 0 HA ARG A 84 13.823 -0.217 4.692 1.00 0.00 H new ATOM 0 HB2 ARG A 84 12.451 -1.921 2.917 1.00 0.00 H new ATOM 0 HB3 ARG A 84 13.130 -0.675 1.889 1.00 0.00 H new ATOM 0 HG2 ARG A 84 15.023 -1.900 1.924 1.00 0.00 H new ATOM 0 HG3 ARG A 84 15.270 -1.257 3.535 1.00 0.00 H new ATOM 0 HD2 ARG A 84 15.038 -3.306 4.437 1.00 0.00 H new ATOM 0 HD3 ARG A 84 13.441 -3.471 3.735 1.00 0.00 H new ATOM 0 HE ARG A 84 15.930 -4.637 2.740 1.00 0.00 H new ATOM 0 HH11 ARG A 84 12.665 -3.580 1.886 1.00 0.00 H new ATOM 0 HH12 ARG A 84 12.565 -4.649 0.483 1.00 0.00 H new ATOM 0 HH21 ARG A 84 15.786 -6.004 0.940 1.00 0.00 H new ATOM 0 HH22 ARG A 84 14.322 -6.014 -0.050 1.00 0.00 H new ATOM 1293 N TRP A 85 11.890 1.731 2.894 1.00 0.00 N ATOM 1294 CA TRP A 85 11.779 3.062 2.308 1.00 0.00 C ATOM 1295 C TRP A 85 11.820 4.136 3.389 1.00 0.00 C ATOM 1296 O TRP A 85 12.533 5.132 3.262 1.00 0.00 O ATOM 1297 CB TRP A 85 10.484 3.180 1.502 1.00 0.00 C ATOM 1298 CG TRP A 85 10.311 4.515 0.845 1.00 0.00 C ATOM 1299 CD1 TRP A 85 11.043 5.021 -0.190 1.00 0.00 C ATOM 1300 CD2 TRP A 85 9.344 5.518 1.181 1.00 0.00 C ATOM 1301 NE1 TRP A 85 10.591 6.276 -0.519 1.00 0.00 N ATOM 1302 CE2 TRP A 85 9.550 6.604 0.308 1.00 0.00 C ATOM 1303 CE3 TRP A 85 8.326 5.604 2.134 1.00 0.00 C ATOM 1304 CZ2 TRP A 85 8.773 7.758 0.360 1.00 0.00 C ATOM 1305 CZ3 TRP A 85 7.556 6.751 2.185 1.00 0.00 C ATOM 1306 CH2 TRP A 85 7.783 7.815 1.302 1.00 0.00 C ATOM 0 H TRP A 85 11.021 1.197 2.895 1.00 0.00 H new ATOM 0 HA TRP A 85 12.628 3.211 1.641 1.00 0.00 H new ATOM 0 HB2 TRP A 85 10.468 2.403 0.738 1.00 0.00 H new ATOM 0 HB3 TRP A 85 9.636 2.996 2.162 1.00 0.00 H new ATOM 0 HD1 TRP A 85 11.859 4.509 -0.679 1.00 0.00 H new ATOM 0 HE1 TRP A 85 10.969 6.867 -1.259 1.00 0.00 H new ATOM 0 HE3 TRP A 85 8.144 4.789 2.819 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 8.946 8.579 -0.320 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 6.766 6.828 2.918 1.00 0.00 H new ATOM 0 HH2 TRP A 85 7.164 8.698 1.367 1.00 0.00 H new ATOM 1317 N LEU A 86 11.051 3.928 4.453 1.00 0.00 N ATOM 1318 CA LEU A 86 10.999 4.879 5.558 1.00 0.00 C ATOM 1319 C LEU A 86 12.383 5.085 6.165 1.00 0.00 C ATOM 1320 O LEU A 86 12.717 6.181 6.617 1.00 0.00 O ATOM 1321 CB LEU A 86 10.025 4.392 6.633 1.00 0.00 C ATOM 1322 CG LEU A 86 8.548 4.657 6.337 1.00 0.00 C ATOM 1323 CD1 LEU A 86 7.664 3.917 7.330 1.00 0.00 C ATOM 1324 CD2 LEU A 86 8.258 6.150 6.374 1.00 0.00 C ATOM 0 H LEU A 86 10.455 3.109 4.574 1.00 0.00 H new ATOM 0 HA LEU A 86 10.649 5.834 5.166 1.00 0.00 H new ATOM 0 HB2 LEU A 86 10.166 3.320 6.770 1.00 0.00 H new ATOM 0 HB3 LEU A 86 10.282 4.871 7.578 1.00 0.00 H new ATOM 0 HG LEU A 86 8.325 4.287 5.336 1.00 0.00 H new ATOM 0 HD11 LEU A 86 6.617 4.117 7.104 1.00 0.00 H new ATOM 0 HD12 LEU A 86 7.853 2.846 7.257 1.00 0.00 H new ATOM 0 HD13 LEU A 86 7.889 4.257 8.341 1.00 0.00 H new ATOM 0 HD21 LEU A 86 7.203 6.321 6.161 1.00 0.00 H new ATOM 0 HD22 LEU A 86 8.497 6.543 7.362 1.00 0.00 H new ATOM 0 HD23 LEU A 86 8.866 6.657 5.625 1.00 0.00 H new ATOM 1336 N ALA A 87 13.183 4.025 6.172 1.00 0.00 N ATOM 1337 CA ALA A 87 14.531 4.089 6.724 1.00 0.00 C ATOM 1338 C ALA A 87 15.525 4.602 5.689 1.00 0.00 C ATOM 1339 O ALA A 87 16.519 5.243 6.032 1.00 0.00 O ATOM 1340 CB ALA A 87 14.957 2.719 7.233 1.00 0.00 C ATOM 0 H ALA A 87 12.922 3.111 5.802 1.00 0.00 H new ATOM 0 HA ALA A 87 14.522 4.790 7.559 1.00 0.00 H new ATOM 0 HB1 ALA A 87 15.965 2.780 7.643 1.00 0.00 H new ATOM 0 HB2 ALA A 87 14.269 2.390 8.011 1.00 0.00 H new ATOM 0 HB3 ALA A 87 14.943 2.004 6.410 1.00 0.00 H new ATOM 1346 N GLU A 88 15.251 4.318 4.419 1.00 0.00 N ATOM 1347 CA GLU A 88 16.123 4.754 3.334 1.00 0.00 C ATOM 1348 C GLU A 88 15.975 6.251 3.083 1.00 0.00 C ATOM 1349 O GLU A 88 16.949 6.938 2.777 1.00 0.00 O ATOM 1350 CB GLU A 88 15.806 3.976 2.055 1.00 0.00 C ATOM 1351 CG GLU A 88 16.615 2.698 1.905 1.00 0.00 C ATOM 1352 CD GLU A 88 17.084 2.469 0.482 1.00 0.00 C ATOM 1353 OE1 GLU A 88 16.232 2.477 -0.432 1.00 0.00 O ATOM 1354 OE2 GLU A 88 18.302 2.281 0.281 1.00 0.00 O ATOM 0 H GLU A 88 14.433 3.789 4.117 1.00 0.00 H new ATOM 0 HA GLU A 88 17.154 4.555 3.627 1.00 0.00 H new ATOM 0 HB2 GLU A 88 14.745 3.728 2.044 1.00 0.00 H new ATOM 0 HB3 GLU A 88 15.992 4.617 1.194 1.00 0.00 H new ATOM 0 HG2 GLU A 88 17.480 2.740 2.566 1.00 0.00 H new ATOM 0 HG3 GLU A 88 16.010 1.850 2.225 1.00 0.00 H new ATOM 1361 N ARG A 89 14.750 6.751 3.216 1.00 0.00 N ATOM 1362 CA ARG A 89 14.476 8.167 3.004 1.00 0.00 C ATOM 1363 C ARG A 89 15.036 9.010 4.147 1.00 0.00 C ATOM 1364 O ARG A 89 15.339 10.189 3.969 1.00 0.00 O ATOM 1365 CB ARG A 89 12.970 8.403 2.868 1.00 0.00 C ATOM 1366 CG ARG A 89 12.190 8.116 4.142 1.00 0.00 C ATOM 1367 CD ARG A 89 10.729 8.512 4.000 1.00 0.00 C ATOM 1368 NE ARG A 89 10.498 9.900 4.395 1.00 0.00 N ATOM 1369 CZ ARG A 89 10.391 10.303 5.659 1.00 0.00 C ATOM 1370 NH1 ARG A 89 10.495 9.431 6.652 1.00 0.00 N ATOM 1371 NH2 ARG A 89 10.181 11.584 5.930 1.00 0.00 N ATOM 0 H ARG A 89 13.932 6.196 3.469 1.00 0.00 H new ATOM 0 HA ARG A 89 14.968 8.471 2.080 1.00 0.00 H new ATOM 0 HB2 ARG A 89 12.798 9.438 2.572 1.00 0.00 H new ATOM 0 HB3 ARG A 89 12.583 7.774 2.066 1.00 0.00 H new ATOM 0 HG2 ARG A 89 12.259 7.055 4.381 1.00 0.00 H new ATOM 0 HG3 ARG A 89 12.637 8.660 4.974 1.00 0.00 H new ATOM 0 HD2 ARG A 89 10.414 8.372 2.966 1.00 0.00 H new ATOM 0 HD3 ARG A 89 10.113 7.853 4.613 1.00 0.00 H new ATOM 0 HE ARG A 89 10.414 10.601 3.659 1.00 0.00 H new ATOM 0 HH11 ARG A 89 10.658 8.445 6.450 1.00 0.00 H new ATOM 0 HH12 ARG A 89 10.412 9.746 7.618 1.00 0.00 H new ATOM 0 HH21 ARG A 89 10.102 12.260 5.170 1.00 0.00 H new ATOM 0 HH22 ARG A 89 10.099 11.894 6.898 1.00 0.00 H new ATOM 1385 N LYS A 90 15.172 8.397 5.319 1.00 0.00 N ATOM 1386 CA LYS A 90 15.696 9.092 6.489 1.00 0.00 C ATOM 1387 C LYS A 90 17.199 8.870 6.628 1.00 0.00 C ATOM 1388 O LYS A 90 17.703 8.627 7.726 1.00 0.00 O ATOM 1389 CB LYS A 90 14.979 8.616 7.755 1.00 0.00 C ATOM 1390 CG LYS A 90 13.667 9.337 8.018 1.00 0.00 C ATOM 1391 CD LYS A 90 13.490 9.649 9.496 1.00 0.00 C ATOM 1392 CE LYS A 90 12.133 10.276 9.774 1.00 0.00 C ATOM 1393 NZ LYS A 90 12.026 10.771 11.175 1.00 0.00 N ATOM 0 H LYS A 90 14.927 7.421 5.483 1.00 0.00 H new ATOM 0 HA LYS A 90 15.516 10.159 6.357 1.00 0.00 H new ATOM 0 HB2 LYS A 90 14.786 7.546 7.673 1.00 0.00 H new ATOM 0 HB3 LYS A 90 15.639 8.756 8.611 1.00 0.00 H new ATOM 0 HG2 LYS A 90 13.638 10.263 7.443 1.00 0.00 H new ATOM 0 HG3 LYS A 90 12.836 8.721 7.673 1.00 0.00 H new ATOM 0 HD2 LYS A 90 13.595 8.733 10.077 1.00 0.00 H new ATOM 0 HD3 LYS A 90 14.279 10.326 9.823 1.00 0.00 H new ATOM 0 HE2 LYS A 90 11.967 11.103 9.083 1.00 0.00 H new ATOM 0 HE3 LYS A 90 11.349 9.542 9.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 11.086 11.191 11.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 12.159 9.978 11.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 12.758 11.490 11.346 1.00 0.00 H new ATOM 1407 N GLN A 91 17.912 8.953 5.510 1.00 0.00 N ATOM 1408 CA GLN A 91 19.357 8.762 5.508 1.00 0.00 C ATOM 1409 C GLN A 91 20.083 10.099 5.397 1.00 0.00 C ATOM 1410 O GLN A 91 20.321 10.598 4.298 1.00 0.00 O ATOM 1411 CB GLN A 91 19.770 7.842 4.356 1.00 0.00 C ATOM 1412 CG GLN A 91 20.615 6.658 4.796 1.00 0.00 C ATOM 1413 CD GLN A 91 21.817 6.432 3.900 1.00 0.00 C ATOM 1414 OE1 GLN A 91 21.697 6.409 2.675 1.00 0.00 O ATOM 1415 NE2 GLN A 91 22.985 6.265 4.508 1.00 0.00 N ATOM 0 H GLN A 91 17.512 9.151 4.593 1.00 0.00 H new ATOM 0 HA GLN A 91 19.639 8.296 6.452 1.00 0.00 H new ATOM 0 HB2 GLN A 91 18.874 7.473 3.858 1.00 0.00 H new ATOM 0 HB3 GLN A 91 20.327 8.422 3.621 1.00 0.00 H new ATOM 0 HG2 GLN A 91 20.955 6.820 5.819 1.00 0.00 H new ATOM 0 HG3 GLN A 91 19.998 5.759 4.803 1.00 0.00 H new ATOM 0 HE21 GLN A 91 23.038 6.292 5.526 1.00 0.00 H new ATOM 0 HE22 GLN A 91 23.829 6.110 3.957 1.00 0.00 H new ATOM 1424 N GLN A 92 20.430 10.675 6.544 1.00 0.00 N ATOM 1425 CA GLN A 92 21.128 11.955 6.575 1.00 0.00 C ATOM 1426 C GLN A 92 21.918 12.112 7.871 1.00 0.00 C ATOM 1427 O GLN A 92 21.880 11.243 8.741 1.00 0.00 O ATOM 1428 CB GLN A 92 20.131 13.106 6.431 1.00 0.00 C ATOM 1429 CG GLN A 92 18.909 12.968 7.324 1.00 0.00 C ATOM 1430 CD GLN A 92 17.845 14.006 7.021 1.00 0.00 C ATOM 1431 OE1 GLN A 92 17.824 14.593 5.941 1.00 0.00 O ATOM 1432 NE2 GLN A 92 16.955 14.236 7.980 1.00 0.00 N ATOM 0 H GLN A 92 20.239 10.276 7.463 1.00 0.00 H new ATOM 0 HA GLN A 92 21.826 11.980 5.739 1.00 0.00 H new ATOM 0 HB2 GLN A 92 20.636 14.044 6.663 1.00 0.00 H new ATOM 0 HB3 GLN A 92 19.807 13.167 5.392 1.00 0.00 H new ATOM 0 HG2 GLN A 92 18.485 11.972 7.201 1.00 0.00 H new ATOM 0 HG3 GLN A 92 19.213 13.059 8.367 1.00 0.00 H new ATOM 0 HE21 GLN A 92 17.011 13.725 8.861 1.00 0.00 H new ATOM 0 HE22 GLN A 92 16.216 14.924 7.835 1.00 0.00 H new ATOM 1441 N SER A 93 22.635 13.225 7.990 1.00 0.00 N ATOM 1442 CA SER A 93 23.434 13.495 9.179 1.00 0.00 C ATOM 1443 C SER A 93 23.812 14.971 9.258 1.00 0.00 C ATOM 1444 O SER A 93 23.664 15.604 10.302 1.00 0.00 O ATOM 1445 CB SER A 93 24.697 12.632 9.177 1.00 0.00 C ATOM 1446 OG SER A 93 24.499 11.436 9.909 1.00 0.00 O ATOM 0 H SER A 93 22.679 13.954 7.278 1.00 0.00 H new ATOM 0 HA SER A 93 22.833 13.246 10.054 1.00 0.00 H new ATOM 0 HB2 SER A 93 24.975 12.392 8.151 1.00 0.00 H new ATOM 0 HB3 SER A 93 25.525 13.193 9.609 1.00 0.00 H new ATOM 0 HG SER A 93 23.607 11.078 9.716 1.00 0.00 H new ATOM 1452 N GLY A 94 24.301 15.512 8.147 1.00 0.00 N ATOM 1453 CA GLY A 94 24.693 16.908 8.113 1.00 0.00 C ATOM 1454 C GLY A 94 26.198 17.091 8.215 1.00 0.00 C ATOM 1455 O GLY A 94 26.771 16.915 9.290 1.00 0.00 O ATOM 0 H GLY A 94 24.433 15.008 7.270 1.00 0.00 H new ATOM 0 HA2 GLY A 94 24.337 17.360 7.187 1.00 0.00 H new ATOM 0 HA3 GLY A 94 24.209 17.438 8.933 1.00 0.00 H new ATOM 1459 N PRO A 95 26.873 17.447 7.108 1.00 0.00 N ATOM 1460 CA PRO A 95 28.326 17.649 7.103 1.00 0.00 C ATOM 1461 C PRO A 95 28.744 18.860 7.929 1.00 0.00 C ATOM 1462 O PRO A 95 28.975 19.942 7.390 1.00 0.00 O ATOM 1463 CB PRO A 95 28.655 17.870 5.623 1.00 0.00 C ATOM 1464 CG PRO A 95 27.385 18.360 5.020 1.00 0.00 C ATOM 1465 CD PRO A 95 26.279 17.682 5.778 1.00 0.00 C ATOM 0 HA PRO A 95 28.854 16.805 7.546 1.00 0.00 H new ATOM 0 HB2 PRO A 95 29.457 18.597 5.501 1.00 0.00 H new ATOM 0 HB3 PRO A 95 28.987 16.946 5.149 1.00 0.00 H new ATOM 0 HG2 PRO A 95 27.307 19.444 5.102 1.00 0.00 H new ATOM 0 HG3 PRO A 95 27.337 18.116 3.959 1.00 0.00 H new ATOM 0 HD2 PRO A 95 25.390 18.310 5.840 1.00 0.00 H new ATOM 0 HD3 PRO A 95 25.978 16.749 5.301 1.00 0.00 H new ATOM 1473 N SER A 96 28.840 18.671 9.241 1.00 0.00 N ATOM 1474 CA SER A 96 29.231 19.747 10.143 1.00 0.00 C ATOM 1475 C SER A 96 30.707 19.640 10.512 1.00 0.00 C ATOM 1476 O SER A 96 31.103 19.971 11.628 1.00 0.00 O ATOM 1477 CB SER A 96 28.373 19.717 11.409 1.00 0.00 C ATOM 1478 OG SER A 96 28.644 18.560 12.182 1.00 0.00 O ATOM 0 H SER A 96 28.652 17.781 9.703 1.00 0.00 H new ATOM 0 HA SER A 96 29.072 20.694 9.627 1.00 0.00 H new ATOM 0 HB2 SER A 96 28.566 20.609 12.004 1.00 0.00 H new ATOM 0 HB3 SER A 96 27.318 19.738 11.137 1.00 0.00 H new ATOM 0 HG SER A 96 28.084 18.565 12.986 1.00 0.00 H new ATOM 1484 N SER A 97 31.516 19.175 9.564 1.00 0.00 N ATOM 1485 CA SER A 97 32.948 19.024 9.789 1.00 0.00 C ATOM 1486 C SER A 97 33.727 19.240 8.496 1.00 0.00 C ATOM 1487 O SER A 97 34.749 18.596 8.261 1.00 0.00 O ATOM 1488 CB SER A 97 33.253 17.636 10.356 1.00 0.00 C ATOM 1489 OG SER A 97 34.291 17.694 11.320 1.00 0.00 O ATOM 0 H SER A 97 31.203 18.897 8.634 1.00 0.00 H new ATOM 0 HA SER A 97 33.259 19.780 10.510 1.00 0.00 H new ATOM 0 HB2 SER A 97 32.354 17.220 10.810 1.00 0.00 H new ATOM 0 HB3 SER A 97 33.541 16.965 9.547 1.00 0.00 H new ATOM 0 HG SER A 97 34.465 16.794 11.668 1.00 0.00 H new ATOM 1495 N GLY A 98 33.238 20.152 7.661 1.00 0.00 N ATOM 1496 CA GLY A 98 33.902 20.437 6.402 1.00 0.00 C ATOM 1497 C GLY A 98 34.149 21.919 6.201 1.00 0.00 C ATOM 1498 O GLY A 98 33.176 22.651 5.925 1.00 0.00 O ATOM 1499 OXT GLY A 98 35.316 22.347 6.319 1.00 0.00 O ATOM 0 H GLY A 98 32.394 20.698 7.834 1.00 0.00 H new ATOM 0 HA2 GLY A 98 34.853 19.905 6.367 1.00 0.00 H new ATOM 0 HA3 GLY A 98 33.295 20.058 5.580 1.00 0.00 H new TER 1503 GLY A 98