USER MOD reduce.3.24.130724 H: found=0, std=0, add=687, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 687 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ -131:sc= 0.052 (180deg=0) USER MOD Single : A 2 SER OG : rot 13:sc= 0.71 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.00483 USER MOD Single : A 8 SER OG : rot -52:sc= 0.00744 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.0702 USER MOD Single : A 12 GLN : amide:sc= 1.25 K(o=1.2,f=-1.6!) USER MOD Single : A 24 SER OG : rot 68:sc= 0.731 USER MOD Single : A 28 SER OG : rot 69:sc= 1.22 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 21:sc= 0.842 USER MOD Single : A 44 GLN : amide:sc= -0.867 X(o=-0.87,f=-1.3) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -0.0053 X(o=-0.0053,f=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ -170:sc= 1.05 (180deg=0.98) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= 1.2 K(o=1.2,f=-0.068) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 5.573 -10.491 -19.771 1.00 0.00 N ATOM 2 CA GLY A 1 6.167 -9.420 -18.936 1.00 0.00 C ATOM 3 C GLY A 1 7.691 -9.427 -18.983 1.00 0.00 C ATOM 4 O GLY A 1 8.298 -10.015 -19.881 1.00 0.00 O ATOM 0 H1 GLY A 1 4.829 -10.088 -20.376 1.00 0.00 H new ATOM 0 H2 GLY A 1 6.311 -10.916 -20.368 1.00 0.00 H new ATOM 0 H3 GLY A 1 5.161 -11.222 -19.157 1.00 0.00 H new ATOM 0 HA2 GLY A 1 5.800 -8.452 -19.276 1.00 0.00 H new ATOM 0 HA3 GLY A 1 5.837 -9.542 -17.904 1.00 0.00 H new ATOM 10 N SER A 2 8.340 -8.747 -18.034 1.00 0.00 N ATOM 11 CA SER A 2 9.807 -8.727 -17.850 1.00 0.00 C ATOM 12 C SER A 2 10.203 -8.432 -16.393 1.00 0.00 C ATOM 13 O SER A 2 9.424 -7.859 -15.627 1.00 0.00 O ATOM 14 CB SER A 2 10.447 -7.680 -18.775 1.00 0.00 C ATOM 15 OG SER A 2 10.385 -8.112 -20.127 1.00 0.00 O ATOM 0 H SER A 2 7.850 -8.174 -17.347 1.00 0.00 H new ATOM 0 HA SER A 2 10.175 -9.721 -18.105 1.00 0.00 H new ATOM 0 HB2 SER A 2 9.931 -6.726 -18.667 1.00 0.00 H new ATOM 0 HB3 SER A 2 11.485 -7.516 -18.486 1.00 0.00 H new ATOM 0 HG SER A 2 9.771 -8.872 -20.200 1.00 0.00 H new ATOM 21 N GLU A 3 11.417 -8.835 -16.006 1.00 0.00 N ATOM 22 CA GLU A 3 11.927 -8.752 -14.625 1.00 0.00 C ATOM 23 C GLU A 3 12.083 -7.312 -14.085 1.00 0.00 C ATOM 24 O GLU A 3 12.192 -6.338 -14.840 1.00 0.00 O ATOM 25 CB GLU A 3 13.276 -9.494 -14.521 1.00 0.00 C ATOM 26 CG GLU A 3 13.211 -10.986 -14.885 1.00 0.00 C ATOM 27 CD GLU A 3 12.243 -11.770 -13.978 1.00 0.00 C ATOM 28 OE1 GLU A 3 12.561 -11.982 -12.782 1.00 0.00 O ATOM 29 OE2 GLU A 3 11.157 -12.183 -14.453 1.00 0.00 O ATOM 0 H GLU A 3 12.092 -9.238 -16.656 1.00 0.00 H new ATOM 0 HA GLU A 3 11.170 -9.226 -14.000 1.00 0.00 H new ATOM 0 HB2 GLU A 3 13.997 -9.004 -15.175 1.00 0.00 H new ATOM 0 HB3 GLU A 3 13.652 -9.397 -13.503 1.00 0.00 H new ATOM 0 HG2 GLU A 3 12.897 -11.091 -15.923 1.00 0.00 H new ATOM 0 HG3 GLU A 3 14.208 -11.420 -14.809 1.00 0.00 H new ATOM 36 N THR A 4 12.118 -7.189 -12.751 1.00 0.00 N ATOM 37 CA THR A 4 12.233 -5.920 -12.002 1.00 0.00 C ATOM 38 C THR A 4 13.516 -5.142 -12.344 1.00 0.00 C ATOM 39 O THR A 4 14.579 -5.734 -12.563 1.00 0.00 O ATOM 40 CB THR A 4 12.181 -6.194 -10.484 1.00 0.00 C ATOM 41 OG1 THR A 4 11.074 -7.021 -10.183 1.00 0.00 O ATOM 42 CG2 THR A 4 12.025 -4.932 -9.633 1.00 0.00 C ATOM 0 H THR A 4 12.065 -8.000 -12.135 1.00 0.00 H new ATOM 0 HA THR A 4 11.388 -5.299 -12.300 1.00 0.00 H new ATOM 0 HB THR A 4 13.135 -6.662 -10.243 1.00 0.00 H new ATOM 0 HG1 THR A 4 11.047 -7.193 -9.219 1.00 0.00 H new ATOM 0 HG21 THR A 4 11.996 -5.206 -8.578 1.00 0.00 H new ATOM 0 HG22 THR A 4 12.869 -4.266 -9.812 1.00 0.00 H new ATOM 0 HG23 THR A 4 11.099 -4.424 -9.901 1.00 0.00 H new ATOM 50 N ARG A 5 13.432 -3.803 -12.351 1.00 0.00 N ATOM 51 CA ARG A 5 14.566 -2.904 -12.631 1.00 0.00 C ATOM 52 C ARG A 5 15.516 -2.771 -11.429 1.00 0.00 C ATOM 53 O ARG A 5 15.085 -2.462 -10.316 1.00 0.00 O ATOM 54 CB ARG A 5 14.053 -1.549 -13.156 1.00 0.00 C ATOM 55 CG ARG A 5 13.224 -0.738 -12.140 1.00 0.00 C ATOM 56 CD ARG A 5 12.603 0.517 -12.764 1.00 0.00 C ATOM 57 NE ARG A 5 11.549 0.198 -13.750 1.00 0.00 N ATOM 58 CZ ARG A 5 10.267 -0.028 -13.516 1.00 0.00 C ATOM 59 NH1 ARG A 5 9.765 -0.020 -12.311 1.00 0.00 N ATOM 60 NH2 ARG A 5 9.452 -0.274 -14.502 1.00 0.00 N ATOM 0 H ARG A 5 12.562 -3.305 -12.160 1.00 0.00 H new ATOM 0 HA ARG A 5 15.172 -3.349 -13.420 1.00 0.00 H new ATOM 0 HB2 ARG A 5 14.907 -0.949 -13.469 1.00 0.00 H new ATOM 0 HB3 ARG A 5 13.445 -1.725 -14.043 1.00 0.00 H new ATOM 0 HG2 ARG A 5 12.433 -1.369 -11.734 1.00 0.00 H new ATOM 0 HG3 ARG A 5 13.861 -0.448 -11.304 1.00 0.00 H new ATOM 0 HD2 ARG A 5 12.181 1.140 -11.975 1.00 0.00 H new ATOM 0 HD3 ARG A 5 13.384 1.102 -13.249 1.00 0.00 H new ATOM 0 HE ARG A 5 11.845 0.146 -14.725 1.00 0.00 H new ATOM 0 HH11 ARG A 5 10.367 0.165 -11.509 1.00 0.00 H new ATOM 0 HH12 ARG A 5 8.771 -0.199 -12.172 1.00 0.00 H new ATOM 0 HH21 ARG A 5 9.802 -0.293 -15.460 1.00 0.00 H new ATOM 0 HH22 ARG A 5 8.464 -0.448 -14.316 1.00 0.00 H new ATOM 74 N THR A 6 16.811 -2.994 -11.656 1.00 0.00 N ATOM 75 CA THR A 6 17.886 -2.836 -10.652 1.00 0.00 C ATOM 76 C THR A 6 17.904 -1.421 -10.049 1.00 0.00 C ATOM 77 O THR A 6 17.726 -0.435 -10.770 1.00 0.00 O ATOM 78 CB THR A 6 19.254 -3.145 -11.292 1.00 0.00 C ATOM 79 OG1 THR A 6 19.186 -4.369 -11.998 1.00 0.00 O ATOM 80 CG2 THR A 6 20.384 -3.287 -10.270 1.00 0.00 C ATOM 0 H THR A 6 17.160 -3.298 -12.565 1.00 0.00 H new ATOM 0 HA THR A 6 17.688 -3.541 -9.845 1.00 0.00 H new ATOM 0 HB THR A 6 19.474 -2.299 -11.944 1.00 0.00 H new ATOM 0 HG1 THR A 6 20.057 -4.561 -12.405 1.00 0.00 H new ATOM 0 HG21 THR A 6 21.318 -3.504 -10.788 1.00 0.00 H new ATOM 0 HG22 THR A 6 20.487 -2.358 -9.710 1.00 0.00 H new ATOM 0 HG23 THR A 6 20.153 -4.101 -9.583 1.00 0.00 H new ATOM 88 N ILE A 7 18.143 -1.304 -8.733 1.00 0.00 N ATOM 89 CA ILE A 7 18.234 -0.018 -8.010 1.00 0.00 C ATOM 90 C ILE A 7 19.347 0.853 -8.624 1.00 0.00 C ATOM 91 O ILE A 7 20.429 0.351 -8.936 1.00 0.00 O ATOM 92 CB ILE A 7 18.449 -0.259 -6.493 1.00 0.00 C ATOM 93 CG1 ILE A 7 17.296 -1.120 -5.913 1.00 0.00 C ATOM 94 CG2 ILE A 7 18.554 1.074 -5.725 1.00 0.00 C ATOM 95 CD1 ILE A 7 17.472 -1.514 -4.443 1.00 0.00 C ATOM 0 H ILE A 7 18.281 -2.113 -8.128 1.00 0.00 H new ATOM 0 HA ILE A 7 17.294 0.523 -8.116 1.00 0.00 H new ATOM 0 HB ILE A 7 19.389 -0.796 -6.370 1.00 0.00 H new ATOM 0 HG12 ILE A 7 16.361 -0.570 -6.019 1.00 0.00 H new ATOM 0 HG13 ILE A 7 17.202 -2.027 -6.510 1.00 0.00 H new ATOM 0 HG21 ILE A 7 18.704 0.872 -4.664 1.00 0.00 H new ATOM 0 HG22 ILE A 7 19.397 1.649 -6.108 1.00 0.00 H new ATOM 0 HG23 ILE A 7 17.635 1.644 -5.859 1.00 0.00 H new ATOM 0 HD11 ILE A 7 16.620 -2.114 -4.123 1.00 0.00 H new ATOM 0 HD12 ILE A 7 18.388 -2.094 -4.329 1.00 0.00 H new ATOM 0 HD13 ILE A 7 17.534 -0.615 -3.830 1.00 0.00 H new ATOM 107 N SER A 8 19.102 2.163 -8.778 1.00 0.00 N ATOM 108 CA SER A 8 19.968 3.076 -9.550 1.00 0.00 C ATOM 109 C SER A 8 21.186 3.657 -8.823 1.00 0.00 C ATOM 110 O SER A 8 21.586 4.802 -9.039 1.00 0.00 O ATOM 111 CB SER A 8 19.113 4.135 -10.266 1.00 0.00 C ATOM 112 OG SER A 8 19.762 4.612 -11.433 1.00 0.00 O ATOM 0 H SER A 8 18.291 2.626 -8.368 1.00 0.00 H new ATOM 0 HA SER A 8 20.455 2.447 -10.295 1.00 0.00 H new ATOM 0 HB2 SER A 8 18.147 3.707 -10.533 1.00 0.00 H new ATOM 0 HB3 SER A 8 18.917 4.967 -9.589 1.00 0.00 H new ATOM 0 HG SER A 8 20.670 4.904 -11.206 1.00 0.00 H new ATOM 118 N SER A 9 21.819 2.849 -7.974 1.00 0.00 N ATOM 119 CA SER A 9 23.101 3.089 -7.279 1.00 0.00 C ATOM 120 C SER A 9 24.318 3.151 -8.227 1.00 0.00 C ATOM 121 O SER A 9 25.368 2.551 -7.991 1.00 0.00 O ATOM 122 CB SER A 9 23.311 2.021 -6.194 1.00 0.00 C ATOM 123 OG SER A 9 22.148 1.864 -5.393 1.00 0.00 O ATOM 0 H SER A 9 21.427 1.939 -7.730 1.00 0.00 H new ATOM 0 HA SER A 9 23.032 4.076 -6.822 1.00 0.00 H new ATOM 0 HB2 SER A 9 23.565 1.069 -6.661 1.00 0.00 H new ATOM 0 HB3 SER A 9 24.155 2.301 -5.563 1.00 0.00 H new ATOM 0 HG SER A 9 22.310 1.177 -4.713 1.00 0.00 H new ATOM 129 N THR A 10 24.166 3.914 -9.308 1.00 0.00 N ATOM 130 CA THR A 10 25.166 4.315 -10.297 1.00 0.00 C ATOM 131 C THR A 10 24.915 5.791 -10.615 1.00 0.00 C ATOM 132 O THR A 10 25.696 6.643 -10.203 1.00 0.00 O ATOM 133 CB THR A 10 25.091 3.456 -11.570 1.00 0.00 C ATOM 134 OG1 THR A 10 23.765 3.356 -12.054 1.00 0.00 O ATOM 135 CG2 THR A 10 25.590 2.033 -11.335 1.00 0.00 C ATOM 0 H THR A 10 23.252 4.305 -9.535 1.00 0.00 H new ATOM 0 HA THR A 10 26.168 4.168 -9.895 1.00 0.00 H new ATOM 0 HB THR A 10 25.728 3.960 -12.296 1.00 0.00 H new ATOM 0 HG1 THR A 10 23.753 2.805 -12.864 1.00 0.00 H new ATOM 0 HG21 THR A 10 25.518 1.464 -12.262 1.00 0.00 H new ATOM 0 HG22 THR A 10 26.629 2.061 -11.007 1.00 0.00 H new ATOM 0 HG23 THR A 10 24.980 1.556 -10.568 1.00 0.00 H new ATOM 143 N ALA A 11 23.754 6.112 -11.197 1.00 0.00 N ATOM 144 CA ALA A 11 23.302 7.478 -11.472 1.00 0.00 C ATOM 145 C ALA A 11 22.899 8.234 -10.193 1.00 0.00 C ATOM 146 O ALA A 11 23.379 9.338 -9.952 1.00 0.00 O ATOM 147 CB ALA A 11 22.153 7.410 -12.485 1.00 0.00 C ATOM 0 H ALA A 11 23.083 5.405 -11.498 1.00 0.00 H new ATOM 0 HA ALA A 11 24.129 8.050 -11.893 1.00 0.00 H new ATOM 0 HB1 ALA A 11 21.801 8.418 -12.704 1.00 0.00 H new ATOM 0 HB2 ALA A 11 22.505 6.941 -13.404 1.00 0.00 H new ATOM 0 HB3 ALA A 11 21.335 6.823 -12.068 1.00 0.00 H new ATOM 153 N GLN A 12 22.093 7.628 -9.313 1.00 0.00 N ATOM 154 CA GLN A 12 21.755 8.233 -8.014 1.00 0.00 C ATOM 155 C GLN A 12 22.981 8.273 -7.079 1.00 0.00 C ATOM 156 O GLN A 12 23.102 9.181 -6.259 1.00 0.00 O ATOM 157 CB GLN A 12 20.555 7.480 -7.405 1.00 0.00 C ATOM 158 CG GLN A 12 20.019 8.019 -6.067 1.00 0.00 C ATOM 159 CD GLN A 12 19.649 9.503 -6.059 1.00 0.00 C ATOM 160 OE1 GLN A 12 18.516 9.903 -6.292 1.00 0.00 O ATOM 161 NE2 GLN A 12 20.583 10.374 -5.752 1.00 0.00 N ATOM 0 H GLN A 12 21.661 6.718 -9.475 1.00 0.00 H new ATOM 0 HA GLN A 12 21.462 9.273 -8.156 1.00 0.00 H new ATOM 0 HB2 GLN A 12 19.741 7.492 -8.129 1.00 0.00 H new ATOM 0 HB3 GLN A 12 20.841 6.438 -7.264 1.00 0.00 H new ATOM 0 HG2 GLN A 12 19.138 7.441 -5.788 1.00 0.00 H new ATOM 0 HG3 GLN A 12 20.771 7.845 -5.297 1.00 0.00 H new ATOM 0 HE21 GLN A 12 21.532 10.056 -5.555 1.00 0.00 H new ATOM 0 HE22 GLN A 12 20.359 11.368 -5.710 1.00 0.00 H new ATOM 170 N GLU A 13 23.924 7.337 -7.237 1.00 0.00 N ATOM 171 CA GLU A 13 25.169 7.314 -6.458 1.00 0.00 C ATOM 172 C GLU A 13 26.120 8.454 -6.885 1.00 0.00 C ATOM 173 O GLU A 13 26.525 9.256 -6.046 1.00 0.00 O ATOM 174 CB GLU A 13 25.786 5.908 -6.566 1.00 0.00 C ATOM 175 CG GLU A 13 26.982 5.673 -5.636 1.00 0.00 C ATOM 176 CD GLU A 13 26.529 5.439 -4.181 1.00 0.00 C ATOM 177 OE1 GLU A 13 26.373 6.422 -3.418 1.00 0.00 O ATOM 178 OE2 GLU A 13 26.320 4.264 -3.793 1.00 0.00 O ATOM 0 H GLU A 13 23.846 6.573 -7.909 1.00 0.00 H new ATOM 0 HA GLU A 13 24.966 7.506 -5.404 1.00 0.00 H new ATOM 0 HB2 GLU A 13 25.017 5.168 -6.344 1.00 0.00 H new ATOM 0 HB3 GLU A 13 26.102 5.740 -7.596 1.00 0.00 H new ATOM 0 HG2 GLU A 13 27.551 4.811 -5.984 1.00 0.00 H new ATOM 0 HG3 GLU A 13 27.650 6.533 -5.676 1.00 0.00 H new ATOM 185 N ARG A 14 26.411 8.608 -8.190 1.00 0.00 N ATOM 186 CA ARG A 14 27.284 9.701 -8.680 1.00 0.00 C ATOM 187 C ARG A 14 26.713 11.078 -8.344 1.00 0.00 C ATOM 188 O ARG A 14 27.474 11.949 -7.929 1.00 0.00 O ATOM 189 CB ARG A 14 27.673 9.584 -10.168 1.00 0.00 C ATOM 190 CG ARG A 14 26.529 9.647 -11.198 1.00 0.00 C ATOM 191 CD ARG A 14 26.815 10.557 -12.402 1.00 0.00 C ATOM 192 NE ARG A 14 26.337 11.940 -12.187 1.00 0.00 N ATOM 193 CZ ARG A 14 25.414 12.588 -12.873 1.00 0.00 C ATOM 194 NH1 ARG A 14 24.689 12.084 -13.831 1.00 0.00 N ATOM 195 NH2 ARG A 14 25.133 13.814 -12.594 1.00 0.00 N ATOM 0 H ARG A 14 26.058 7.994 -8.924 1.00 0.00 H new ATOM 0 HA ARG A 14 28.220 9.585 -8.134 1.00 0.00 H new ATOM 0 HB2 ARG A 14 28.379 10.382 -10.397 1.00 0.00 H new ATOM 0 HB3 ARG A 14 28.202 8.641 -10.307 1.00 0.00 H new ATOM 0 HG2 ARG A 14 26.324 8.639 -11.559 1.00 0.00 H new ATOM 0 HG3 ARG A 14 25.625 9.997 -10.699 1.00 0.00 H new ATOM 0 HD2 ARG A 14 27.887 10.572 -12.597 1.00 0.00 H new ATOM 0 HD3 ARG A 14 26.336 10.143 -13.289 1.00 0.00 H new ATOM 0 HE ARG A 14 26.771 12.453 -11.419 1.00 0.00 H new ATOM 0 HH11 ARG A 14 24.813 11.110 -14.106 1.00 0.00 H new ATOM 0 HH12 ARG A 14 23.997 12.664 -14.306 1.00 0.00 H new ATOM 0 HH21 ARG A 14 25.625 14.291 -11.838 1.00 0.00 H new ATOM 0 HH22 ARG A 14 24.418 14.308 -13.129 1.00 0.00 H new ATOM 209 N VAL A 15 25.383 11.228 -8.411 1.00 0.00 N ATOM 210 CA VAL A 15 24.639 12.429 -7.994 1.00 0.00 C ATOM 211 C VAL A 15 24.866 12.796 -6.524 1.00 0.00 C ATOM 212 O VAL A 15 24.890 13.978 -6.182 1.00 0.00 O ATOM 213 CB VAL A 15 23.145 12.264 -8.342 1.00 0.00 C ATOM 214 CG1 VAL A 15 22.221 13.225 -7.614 1.00 0.00 C ATOM 215 CG2 VAL A 15 22.941 12.471 -9.842 1.00 0.00 C ATOM 0 H VAL A 15 24.773 10.493 -8.769 1.00 0.00 H new ATOM 0 HA VAL A 15 25.031 13.278 -8.555 1.00 0.00 H new ATOM 0 HB VAL A 15 22.884 11.255 -8.023 1.00 0.00 H new ATOM 0 HG11 VAL A 15 21.191 13.040 -7.918 1.00 0.00 H new ATOM 0 HG12 VAL A 15 22.315 13.075 -6.538 1.00 0.00 H new ATOM 0 HG13 VAL A 15 22.494 14.251 -7.863 1.00 0.00 H new ATOM 0 HG21 VAL A 15 21.885 12.354 -10.085 1.00 0.00 H new ATOM 0 HG22 VAL A 15 23.268 13.473 -10.119 1.00 0.00 H new ATOM 0 HG23 VAL A 15 23.524 11.734 -10.394 1.00 0.00 H new ATOM 225 N ASP A 16 25.098 11.819 -5.649 1.00 0.00 N ATOM 226 CA ASP A 16 25.415 12.098 -4.241 1.00 0.00 C ATOM 227 C ASP A 16 26.823 12.704 -4.049 1.00 0.00 C ATOM 228 O ASP A 16 26.997 13.638 -3.265 1.00 0.00 O ATOM 229 CB ASP A 16 25.236 10.823 -3.410 1.00 0.00 C ATOM 230 CG ASP A 16 25.266 11.137 -1.908 1.00 0.00 C ATOM 231 OD1 ASP A 16 24.257 11.683 -1.400 1.00 0.00 O ATOM 232 OD2 ASP A 16 26.275 10.821 -1.234 1.00 0.00 O ATOM 0 H ASP A 16 25.074 10.827 -5.885 1.00 0.00 H new ATOM 0 HA ASP A 16 24.717 12.857 -3.890 1.00 0.00 H new ATOM 0 HB2 ASP A 16 24.290 10.347 -3.667 1.00 0.00 H new ATOM 0 HB3 ASP A 16 26.026 10.113 -3.653 1.00 0.00 H new ATOM 237 N LEU A 17 27.827 12.226 -4.794 1.00 0.00 N ATOM 238 CA LEU A 17 29.236 12.604 -4.599 1.00 0.00 C ATOM 239 C LEU A 17 29.545 13.985 -5.189 1.00 0.00 C ATOM 240 O LEU A 17 30.268 14.778 -4.590 1.00 0.00 O ATOM 241 CB LEU A 17 30.166 11.521 -5.192 1.00 0.00 C ATOM 242 CG LEU A 17 30.507 10.320 -4.286 1.00 0.00 C ATOM 243 CD1 LEU A 17 31.272 10.739 -3.028 1.00 0.00 C ATOM 244 CD2 LEU A 17 29.288 9.505 -3.860 1.00 0.00 C ATOM 0 H LEU A 17 27.686 11.561 -5.555 1.00 0.00 H new ATOM 0 HA LEU A 17 29.419 12.672 -3.527 1.00 0.00 H new ATOM 0 HB2 LEU A 17 29.704 11.139 -6.102 1.00 0.00 H new ATOM 0 HB3 LEU A 17 31.100 12.000 -5.486 1.00 0.00 H new ATOM 0 HG LEU A 17 31.139 9.689 -4.911 1.00 0.00 H new ATOM 0 HD11 LEU A 17 31.488 9.858 -2.423 1.00 0.00 H new ATOM 0 HD12 LEU A 17 32.207 11.221 -3.314 1.00 0.00 H new ATOM 0 HD13 LEU A 17 30.666 11.436 -2.449 1.00 0.00 H new ATOM 0 HD21 LEU A 17 29.607 8.678 -3.225 1.00 0.00 H new ATOM 0 HD22 LEU A 17 28.599 10.143 -3.306 1.00 0.00 H new ATOM 0 HD23 LEU A 17 28.787 9.111 -4.744 1.00 0.00 H new ATOM 256 N GLU A 18 28.931 14.326 -6.319 1.00 0.00 N ATOM 257 CA GLU A 18 28.981 15.680 -6.885 1.00 0.00 C ATOM 258 C GLU A 18 28.306 16.729 -5.979 1.00 0.00 C ATOM 259 O GLU A 18 28.761 17.870 -5.933 1.00 0.00 O ATOM 260 CB GLU A 18 28.410 15.674 -8.311 1.00 0.00 C ATOM 261 CG GLU A 18 26.979 15.135 -8.368 1.00 0.00 C ATOM 262 CD GLU A 18 26.556 14.746 -9.797 1.00 0.00 C ATOM 263 OE1 GLU A 18 27.273 14.005 -10.510 1.00 0.00 O ATOM 264 OE2 GLU A 18 25.441 15.121 -10.212 1.00 0.00 O ATOM 0 H GLU A 18 28.381 13.671 -6.874 1.00 0.00 H new ATOM 0 HA GLU A 18 30.026 15.984 -6.940 1.00 0.00 H new ATOM 0 HB2 GLU A 18 28.429 16.688 -8.711 1.00 0.00 H new ATOM 0 HB3 GLU A 18 29.049 15.067 -8.952 1.00 0.00 H new ATOM 0 HG2 GLU A 18 26.895 14.265 -7.717 1.00 0.00 H new ATOM 0 HG3 GLU A 18 26.294 15.889 -7.981 1.00 0.00 H new ATOM 271 N ALA A 19 27.313 16.357 -5.160 1.00 0.00 N ATOM 272 CA ALA A 19 26.776 17.251 -4.129 1.00 0.00 C ATOM 273 C ALA A 19 27.818 17.564 -3.037 1.00 0.00 C ATOM 274 O ALA A 19 27.918 18.705 -2.590 1.00 0.00 O ATOM 275 CB ALA A 19 25.489 16.637 -3.562 1.00 0.00 C ATOM 0 H ALA A 19 26.866 15.441 -5.193 1.00 0.00 H new ATOM 0 HA ALA A 19 26.533 18.215 -4.577 1.00 0.00 H new ATOM 0 HB1 ALA A 19 25.080 17.294 -2.794 1.00 0.00 H new ATOM 0 HB2 ALA A 19 24.759 16.517 -4.363 1.00 0.00 H new ATOM 0 HB3 ALA A 19 25.712 15.663 -3.126 1.00 0.00 H new ATOM 281 N VAL A 20 28.659 16.590 -2.667 1.00 0.00 N ATOM 282 CA VAL A 20 29.794 16.770 -1.735 1.00 0.00 C ATOM 283 C VAL A 20 30.923 17.584 -2.386 1.00 0.00 C ATOM 284 O VAL A 20 31.523 18.449 -1.741 1.00 0.00 O ATOM 285 CB VAL A 20 30.286 15.399 -1.214 1.00 0.00 C ATOM 286 CG1 VAL A 20 31.509 15.524 -0.296 1.00 0.00 C ATOM 287 CG2 VAL A 20 29.185 14.690 -0.413 1.00 0.00 C ATOM 0 H VAL A 20 28.573 15.633 -3.011 1.00 0.00 H new ATOM 0 HA VAL A 20 29.451 17.344 -0.874 1.00 0.00 H new ATOM 0 HB VAL A 20 30.556 14.826 -2.101 1.00 0.00 H new ATOM 0 HG11 VAL A 20 31.813 14.533 0.042 1.00 0.00 H new ATOM 0 HG12 VAL A 20 32.329 15.989 -0.844 1.00 0.00 H new ATOM 0 HG13 VAL A 20 31.255 16.139 0.567 1.00 0.00 H new ATOM 0 HG21 VAL A 20 29.555 13.728 -0.058 1.00 0.00 H new ATOM 0 HG22 VAL A 20 28.901 15.307 0.439 1.00 0.00 H new ATOM 0 HG23 VAL A 20 28.316 14.531 -1.051 1.00 0.00 H new ATOM 297 N ARG A 21 31.160 17.409 -3.694 1.00 0.00 N ATOM 298 CA ARG A 21 32.081 18.256 -4.470 1.00 0.00 C ATOM 299 C ARG A 21 31.633 19.718 -4.468 1.00 0.00 C ATOM 300 O ARG A 21 32.434 20.581 -4.143 1.00 0.00 O ATOM 301 CB ARG A 21 32.236 17.677 -5.889 1.00 0.00 C ATOM 302 CG ARG A 21 33.306 18.370 -6.751 1.00 0.00 C ATOM 303 CD ARG A 21 34.723 18.354 -6.153 1.00 0.00 C ATOM 304 NE ARG A 21 35.186 16.982 -5.849 1.00 0.00 N ATOM 305 CZ ARG A 21 35.750 16.116 -6.675 1.00 0.00 C ATOM 306 NH1 ARG A 21 35.965 16.388 -7.932 1.00 0.00 N ATOM 307 NH2 ARG A 21 36.108 14.939 -6.248 1.00 0.00 N ATOM 0 H ARG A 21 30.718 16.674 -4.246 1.00 0.00 H new ATOM 0 HA ARG A 21 33.064 18.250 -3.998 1.00 0.00 H new ATOM 0 HB2 ARG A 21 32.482 16.618 -5.810 1.00 0.00 H new ATOM 0 HB3 ARG A 21 31.276 17.744 -6.401 1.00 0.00 H new ATOM 0 HG2 ARG A 21 33.333 17.888 -7.728 1.00 0.00 H new ATOM 0 HG3 ARG A 21 33.007 19.405 -6.914 1.00 0.00 H new ATOM 0 HD2 ARG A 21 35.416 18.823 -6.852 1.00 0.00 H new ATOM 0 HD3 ARG A 21 34.737 18.951 -5.241 1.00 0.00 H new ATOM 0 HE ARG A 21 35.055 16.666 -4.888 1.00 0.00 H new ATOM 0 HH11 ARG A 21 35.696 17.296 -8.311 1.00 0.00 H new ATOM 0 HH12 ARG A 21 36.403 15.693 -8.537 1.00 0.00 H new ATOM 0 HH21 ARG A 21 35.954 14.682 -5.273 1.00 0.00 H new ATOM 0 HH22 ARG A 21 36.542 14.275 -6.888 1.00 0.00 H new ATOM 321 N LEU A 22 30.355 20.013 -4.705 1.00 0.00 N ATOM 322 CA LEU A 22 29.810 21.375 -4.611 1.00 0.00 C ATOM 323 C LEU A 22 29.752 21.880 -3.174 1.00 0.00 C ATOM 324 O LEU A 22 30.046 23.047 -2.978 1.00 0.00 O ATOM 325 CB LEU A 22 28.484 21.519 -5.364 1.00 0.00 C ATOM 326 CG LEU A 22 28.722 21.806 -6.860 1.00 0.00 C ATOM 327 CD1 LEU A 22 29.133 20.584 -7.674 1.00 0.00 C ATOM 328 CD2 LEU A 22 27.448 22.373 -7.456 1.00 0.00 C ATOM 0 H LEU A 22 29.662 19.313 -4.969 1.00 0.00 H new ATOM 0 HA LEU A 22 30.512 22.035 -5.121 1.00 0.00 H new ATOM 0 HB2 LEU A 22 27.899 20.606 -5.255 1.00 0.00 H new ATOM 0 HB3 LEU A 22 27.899 22.327 -4.924 1.00 0.00 H new ATOM 0 HG LEU A 22 29.553 22.510 -6.910 1.00 0.00 H new ATOM 0 HD11 LEU A 22 29.280 20.873 -8.715 1.00 0.00 H new ATOM 0 HD12 LEU A 22 30.062 20.177 -7.275 1.00 0.00 H new ATOM 0 HD13 LEU A 22 28.351 19.827 -7.615 1.00 0.00 H new ATOM 0 HD21 LEU A 22 27.603 22.581 -8.515 1.00 0.00 H new ATOM 0 HD22 LEU A 22 26.640 21.650 -7.342 1.00 0.00 H new ATOM 0 HD23 LEU A 22 27.184 23.296 -6.940 1.00 0.00 H new ATOM 340 N ALA A 23 29.517 21.050 -2.158 1.00 0.00 N ATOM 341 CA ALA A 23 29.692 21.488 -0.768 1.00 0.00 C ATOM 342 C ALA A 23 31.142 21.963 -0.521 1.00 0.00 C ATOM 343 O ALA A 23 31.366 22.945 0.185 1.00 0.00 O ATOM 344 CB ALA A 23 29.263 20.349 0.157 1.00 0.00 C ATOM 0 H ALA A 23 29.209 20.083 -2.265 1.00 0.00 H new ATOM 0 HA ALA A 23 29.061 22.351 -0.555 1.00 0.00 H new ATOM 0 HB1 ALA A 23 29.387 20.657 1.195 1.00 0.00 H new ATOM 0 HB2 ALA A 23 28.217 20.105 -0.027 1.00 0.00 H new ATOM 0 HB3 ALA A 23 29.880 19.471 -0.037 1.00 0.00 H new ATOM 350 N SER A 24 32.109 21.343 -1.206 1.00 0.00 N ATOM 351 CA SER A 24 33.514 21.774 -1.230 1.00 0.00 C ATOM 352 C SER A 24 33.750 23.041 -2.078 1.00 0.00 C ATOM 353 O SER A 24 34.515 23.906 -1.642 1.00 0.00 O ATOM 354 CB SER A 24 34.439 20.629 -1.676 1.00 0.00 C ATOM 355 OG SER A 24 34.158 19.418 -0.981 1.00 0.00 O ATOM 0 H SER A 24 31.935 20.511 -1.771 1.00 0.00 H new ATOM 0 HA SER A 24 33.765 22.044 -0.204 1.00 0.00 H new ATOM 0 HB2 SER A 24 34.325 20.467 -2.748 1.00 0.00 H new ATOM 0 HB3 SER A 24 35.477 20.913 -1.505 1.00 0.00 H new ATOM 0 HG SER A 24 33.276 19.085 -1.248 1.00 0.00 H new ATOM 361 N ILE A 25 33.091 23.234 -3.242 1.00 0.00 N ATOM 362 CA ILE A 25 33.299 24.479 -4.009 1.00 0.00 C ATOM 363 C ILE A 25 32.606 25.668 -3.321 1.00 0.00 C ATOM 364 O ILE A 25 33.153 26.767 -3.274 1.00 0.00 O ATOM 365 CB ILE A 25 32.879 24.389 -5.489 1.00 0.00 C ATOM 366 CG1 ILE A 25 33.101 23.038 -6.191 1.00 0.00 C ATOM 367 CG2 ILE A 25 33.656 25.470 -6.262 1.00 0.00 C ATOM 368 CD1 ILE A 25 34.499 22.420 -6.134 1.00 0.00 C ATOM 0 H ILE A 25 32.436 22.572 -3.657 1.00 0.00 H new ATOM 0 HA ILE A 25 34.377 24.639 -4.017 1.00 0.00 H new ATOM 0 HB ILE A 25 31.798 24.527 -5.491 1.00 0.00 H new ATOM 0 HG12 ILE A 25 32.401 22.320 -5.763 1.00 0.00 H new ATOM 0 HG13 ILE A 25 32.832 23.159 -7.240 1.00 0.00 H new ATOM 0 HG21 ILE A 25 33.380 25.433 -7.316 1.00 0.00 H new ATOM 0 HG22 ILE A 25 33.412 26.452 -5.858 1.00 0.00 H new ATOM 0 HG23 ILE A 25 34.726 25.291 -6.160 1.00 0.00 H new ATOM 0 HD11 ILE A 25 34.500 21.472 -6.672 1.00 0.00 H new ATOM 0 HD12 ILE A 25 35.216 23.099 -6.595 1.00 0.00 H new ATOM 0 HD13 ILE A 25 34.779 22.248 -5.095 1.00 0.00 H new ATOM 380 N VAL A 26 31.431 25.441 -2.724 1.00 0.00 N ATOM 381 CA VAL A 26 30.709 26.427 -1.911 1.00 0.00 C ATOM 382 C VAL A 26 31.556 26.804 -0.697 1.00 0.00 C ATOM 383 O VAL A 26 31.807 27.986 -0.529 1.00 0.00 O ATOM 384 CB VAL A 26 29.331 25.905 -1.476 1.00 0.00 C ATOM 385 CG1 VAL A 26 28.608 26.902 -0.562 1.00 0.00 C ATOM 386 CG2 VAL A 26 28.399 25.649 -2.676 1.00 0.00 C ATOM 0 H VAL A 26 30.944 24.547 -2.794 1.00 0.00 H new ATOM 0 HA VAL A 26 30.535 27.315 -2.519 1.00 0.00 H new ATOM 0 HB VAL A 26 29.534 24.973 -0.949 1.00 0.00 H new ATOM 0 HG11 VAL A 26 27.638 26.496 -0.276 1.00 0.00 H new ATOM 0 HG12 VAL A 26 29.206 27.076 0.332 1.00 0.00 H new ATOM 0 HG13 VAL A 26 28.466 27.844 -1.092 1.00 0.00 H new ATOM 0 HG21 VAL A 26 27.437 25.281 -2.318 1.00 0.00 H new ATOM 0 HG22 VAL A 26 28.250 26.578 -3.226 1.00 0.00 H new ATOM 0 HG23 VAL A 26 28.849 24.906 -3.334 1.00 0.00 H new ATOM 396 N ASP A 27 32.096 25.860 0.081 1.00 0.00 N ATOM 397 CA ASP A 27 33.037 26.183 1.169 1.00 0.00 C ATOM 398 C ASP A 27 34.231 27.024 0.681 1.00 0.00 C ATOM 399 O ASP A 27 34.573 28.038 1.292 1.00 0.00 O ATOM 400 CB ASP A 27 33.546 24.895 1.822 1.00 0.00 C ATOM 401 CG ASP A 27 34.676 25.189 2.823 1.00 0.00 C ATOM 402 OD1 ASP A 27 34.429 25.898 3.827 1.00 0.00 O ATOM 403 OD2 ASP A 27 35.808 24.697 2.600 1.00 0.00 O ATOM 0 H ASP A 27 31.900 24.864 -0.019 1.00 0.00 H new ATOM 0 HA ASP A 27 32.491 26.780 1.899 1.00 0.00 H new ATOM 0 HB2 ASP A 27 32.724 24.394 2.334 1.00 0.00 H new ATOM 0 HB3 ASP A 27 33.906 24.212 1.053 1.00 0.00 H new ATOM 408 N SER A 28 34.809 26.668 -0.471 1.00 0.00 N ATOM 409 CA SER A 28 35.901 27.434 -1.093 1.00 0.00 C ATOM 410 C SER A 28 35.481 28.882 -1.407 1.00 0.00 C ATOM 411 O SER A 28 36.259 29.813 -1.198 1.00 0.00 O ATOM 412 CB SER A 28 36.406 26.736 -2.365 1.00 0.00 C ATOM 413 OG SER A 28 36.801 25.396 -2.102 1.00 0.00 O ATOM 0 H SER A 28 34.535 25.841 -1.001 1.00 0.00 H new ATOM 0 HA SER A 28 36.715 27.475 -0.370 1.00 0.00 H new ATOM 0 HB2 SER A 28 35.621 26.743 -3.121 1.00 0.00 H new ATOM 0 HB3 SER A 28 37.249 27.291 -2.776 1.00 0.00 H new ATOM 0 HG SER A 28 36.011 24.858 -1.887 1.00 0.00 H new ATOM 419 N ARG A 29 34.224 29.096 -1.824 1.00 0.00 N ATOM 420 CA ARG A 29 33.605 30.421 -2.027 1.00 0.00 C ATOM 421 C ARG A 29 33.242 31.129 -0.713 1.00 0.00 C ATOM 422 O ARG A 29 33.430 32.342 -0.618 1.00 0.00 O ATOM 423 CB ARG A 29 32.384 30.227 -2.948 1.00 0.00 C ATOM 424 CG ARG A 29 31.670 31.523 -3.337 1.00 0.00 C ATOM 425 CD ARG A 29 32.480 32.435 -4.259 1.00 0.00 C ATOM 426 NE ARG A 29 31.624 33.520 -4.784 1.00 0.00 N ATOM 427 CZ ARG A 29 31.861 34.274 -5.843 1.00 0.00 C ATOM 428 NH1 ARG A 29 32.998 34.227 -6.479 1.00 0.00 N ATOM 429 NH2 ARG A 29 30.961 35.098 -6.289 1.00 0.00 N ATOM 0 H ARG A 29 33.587 28.328 -2.037 1.00 0.00 H new ATOM 0 HA ARG A 29 34.328 31.088 -2.496 1.00 0.00 H new ATOM 0 HB2 ARG A 29 32.707 29.718 -3.856 1.00 0.00 H new ATOM 0 HB3 ARG A 29 31.671 29.569 -2.451 1.00 0.00 H new ATOM 0 HG2 ARG A 29 30.729 31.273 -3.828 1.00 0.00 H new ATOM 0 HG3 ARG A 29 31.420 32.073 -2.430 1.00 0.00 H new ATOM 0 HD2 ARG A 29 33.324 32.859 -3.714 1.00 0.00 H new ATOM 0 HD3 ARG A 29 32.893 31.856 -5.085 1.00 0.00 H new ATOM 0 HE ARG A 29 30.760 33.706 -4.275 1.00 0.00 H new ATOM 0 HH11 ARG A 29 33.734 33.596 -6.162 1.00 0.00 H new ATOM 0 HH12 ARG A 29 33.152 34.821 -7.294 1.00 0.00 H new ATOM 0 HH21 ARG A 29 30.058 35.169 -5.821 1.00 0.00 H new ATOM 0 HH22 ARG A 29 31.158 35.674 -7.108 1.00 0.00 H new ATOM 443 N LEU A 30 32.792 30.417 0.324 1.00 0.00 N ATOM 444 CA LEU A 30 32.520 31.016 1.640 1.00 0.00 C ATOM 445 C LEU A 30 33.812 31.499 2.335 1.00 0.00 C ATOM 446 O LEU A 30 33.794 32.510 3.036 1.00 0.00 O ATOM 447 CB LEU A 30 31.719 30.058 2.542 1.00 0.00 C ATOM 448 CG LEU A 30 30.334 29.614 2.028 1.00 0.00 C ATOM 449 CD1 LEU A 30 29.635 28.737 3.073 1.00 0.00 C ATOM 450 CD2 LEU A 30 29.409 30.787 1.675 1.00 0.00 C ATOM 0 H LEU A 30 32.606 29.415 0.279 1.00 0.00 H new ATOM 0 HA LEU A 30 31.903 31.898 1.466 1.00 0.00 H new ATOM 0 HB2 LEU A 30 32.322 29.165 2.709 1.00 0.00 H new ATOM 0 HB3 LEU A 30 31.584 30.537 3.512 1.00 0.00 H new ATOM 0 HG LEU A 30 30.522 29.054 1.112 1.00 0.00 H new ATOM 0 HD11 LEU A 30 28.659 28.431 2.697 1.00 0.00 H new ATOM 0 HD12 LEU A 30 30.241 27.853 3.270 1.00 0.00 H new ATOM 0 HD13 LEU A 30 29.507 29.303 3.996 1.00 0.00 H new ATOM 0 HD21 LEU A 30 28.453 30.402 1.321 1.00 0.00 H new ATOM 0 HD22 LEU A 30 29.247 31.402 2.560 1.00 0.00 H new ATOM 0 HD23 LEU A 30 29.869 31.391 0.893 1.00 0.00 H new ATOM 462 N ILE A 31 34.946 30.837 2.078 1.00 0.00 N ATOM 463 CA ILE A 31 36.291 31.284 2.478 1.00 0.00 C ATOM 464 C ILE A 31 36.787 32.427 1.565 1.00 0.00 C ATOM 465 O ILE A 31 37.424 33.370 2.038 1.00 0.00 O ATOM 466 CB ILE A 31 37.250 30.066 2.471 1.00 0.00 C ATOM 467 CG1 ILE A 31 36.823 29.050 3.558 1.00 0.00 C ATOM 468 CG2 ILE A 31 38.717 30.488 2.696 1.00 0.00 C ATOM 469 CD1 ILE A 31 37.511 27.684 3.445 1.00 0.00 C ATOM 0 H ILE A 31 34.957 29.951 1.572 1.00 0.00 H new ATOM 0 HA ILE A 31 36.260 31.691 3.489 1.00 0.00 H new ATOM 0 HB ILE A 31 37.185 29.601 1.487 1.00 0.00 H new ATOM 0 HG12 ILE A 31 37.038 29.473 4.539 1.00 0.00 H new ATOM 0 HG13 ILE A 31 35.744 28.907 3.502 1.00 0.00 H new ATOM 0 HG21 ILE A 31 39.356 29.605 2.684 1.00 0.00 H new ATOM 0 HG22 ILE A 31 39.025 31.170 1.903 1.00 0.00 H new ATOM 0 HG23 ILE A 31 38.808 30.988 3.660 1.00 0.00 H new ATOM 0 HD11 ILE A 31 37.157 27.031 4.243 1.00 0.00 H new ATOM 0 HD12 ILE A 31 37.276 27.237 2.479 1.00 0.00 H new ATOM 0 HD13 ILE A 31 38.590 27.812 3.533 1.00 0.00 H new ATOM 481 N GLY A 32 36.474 32.367 0.264 1.00 0.00 N ATOM 482 CA GLY A 32 36.960 33.286 -0.769 1.00 0.00 C ATOM 483 C GLY A 32 36.345 34.682 -0.713 1.00 0.00 C ATOM 484 O GLY A 32 37.037 35.682 -0.916 1.00 0.00 O ATOM 0 H GLY A 32 35.852 31.650 -0.110 1.00 0.00 H new ATOM 0 HA2 GLY A 32 38.042 33.376 -0.678 1.00 0.00 H new ATOM 0 HA3 GLY A 32 36.757 32.852 -1.748 1.00 0.00 H new ATOM 488 N THR A 33 35.042 34.745 -0.426 1.00 0.00 N ATOM 489 CA THR A 33 34.290 36.008 -0.286 1.00 0.00 C ATOM 490 C THR A 33 33.119 35.960 0.715 1.00 0.00 C ATOM 491 O THR A 33 32.798 36.981 1.328 1.00 0.00 O ATOM 492 CB THR A 33 33.830 36.483 -1.678 1.00 0.00 C ATOM 493 OG1 THR A 33 33.283 37.782 -1.626 1.00 0.00 O ATOM 494 CG2 THR A 33 32.787 35.560 -2.311 1.00 0.00 C ATOM 0 H THR A 33 34.468 33.915 -0.282 1.00 0.00 H new ATOM 0 HA THR A 33 34.978 36.732 0.151 1.00 0.00 H new ATOM 0 HB THR A 33 34.730 36.472 -2.293 1.00 0.00 H new ATOM 0 HG1 THR A 33 33.002 38.055 -2.524 1.00 0.00 H new ATOM 0 HG21 THR A 33 32.503 35.948 -3.289 1.00 0.00 H new ATOM 0 HG22 THR A 33 33.207 34.561 -2.425 1.00 0.00 H new ATOM 0 HG23 THR A 33 31.906 35.513 -1.670 1.00 0.00 H new ATOM 502 N GLY A 34 32.506 34.785 0.943 1.00 0.00 N ATOM 503 CA GLY A 34 31.442 34.614 1.956 1.00 0.00 C ATOM 504 C GLY A 34 30.004 34.620 1.429 1.00 0.00 C ATOM 505 O GLY A 34 29.058 34.757 2.205 1.00 0.00 O ATOM 0 H GLY A 34 32.730 33.930 0.435 1.00 0.00 H new ATOM 0 HA2 GLY A 34 31.613 33.672 2.477 1.00 0.00 H new ATOM 0 HA3 GLY A 34 31.540 35.410 2.695 1.00 0.00 H new ATOM 509 N SER A 35 29.812 34.485 0.117 1.00 0.00 N ATOM 510 CA SER A 35 28.514 34.308 -0.552 1.00 0.00 C ATOM 511 C SER A 35 28.721 33.630 -1.908 1.00 0.00 C ATOM 512 O SER A 35 29.734 33.851 -2.572 1.00 0.00 O ATOM 513 CB SER A 35 27.810 35.660 -0.741 1.00 0.00 C ATOM 514 OG SER A 35 27.321 36.122 0.508 1.00 0.00 O ATOM 0 H SER A 35 30.590 34.496 -0.543 1.00 0.00 H new ATOM 0 HA SER A 35 27.882 33.678 0.074 1.00 0.00 H new ATOM 0 HB2 SER A 35 28.504 36.387 -1.162 1.00 0.00 H new ATOM 0 HB3 SER A 35 26.988 35.557 -1.449 1.00 0.00 H new ATOM 0 HG SER A 35 27.811 35.683 1.234 1.00 0.00 H new ATOM 520 N VAL A 36 27.767 32.796 -2.316 1.00 0.00 N ATOM 521 CA VAL A 36 27.796 32.003 -3.560 1.00 0.00 C ATOM 522 C VAL A 36 26.601 32.359 -4.446 1.00 0.00 C ATOM 523 O VAL A 36 25.507 32.636 -3.953 1.00 0.00 O ATOM 524 CB VAL A 36 27.878 30.500 -3.230 1.00 0.00 C ATOM 525 CG1 VAL A 36 26.582 29.931 -2.651 1.00 0.00 C ATOM 526 CG2 VAL A 36 28.251 29.685 -4.466 1.00 0.00 C ATOM 0 H VAL A 36 26.917 32.642 -1.774 1.00 0.00 H new ATOM 0 HA VAL A 36 28.691 32.249 -4.132 1.00 0.00 H new ATOM 0 HB VAL A 36 28.653 30.418 -2.468 1.00 0.00 H new ATOM 0 HG11 VAL A 36 26.712 28.869 -2.443 1.00 0.00 H new ATOM 0 HG12 VAL A 36 26.335 30.455 -1.727 1.00 0.00 H new ATOM 0 HG13 VAL A 36 25.773 30.063 -3.370 1.00 0.00 H new ATOM 0 HG21 VAL A 36 28.302 28.628 -4.203 1.00 0.00 H new ATOM 0 HG22 VAL A 36 27.497 29.831 -5.239 1.00 0.00 H new ATOM 0 HG23 VAL A 36 29.221 30.013 -4.839 1.00 0.00 H new ATOM 536 N ASP A 37 26.815 32.370 -5.761 1.00 0.00 N ATOM 537 CA ASP A 37 25.865 32.886 -6.749 1.00 0.00 C ATOM 538 C ASP A 37 25.612 31.868 -7.866 1.00 0.00 C ATOM 539 O ASP A 37 26.465 31.031 -8.162 1.00 0.00 O ATOM 540 CB ASP A 37 26.404 34.209 -7.331 1.00 0.00 C ATOM 541 CG ASP A 37 26.986 35.162 -6.268 1.00 0.00 C ATOM 542 OD1 ASP A 37 28.204 35.075 -5.968 1.00 0.00 O ATOM 543 OD2 ASP A 37 26.228 36.017 -5.748 1.00 0.00 O ATOM 0 H ASP A 37 27.673 32.012 -6.180 1.00 0.00 H new ATOM 0 HA ASP A 37 24.911 33.068 -6.255 1.00 0.00 H new ATOM 0 HB2 ASP A 37 27.176 33.984 -8.066 1.00 0.00 H new ATOM 0 HB3 ASP A 37 25.598 34.718 -7.860 1.00 0.00 H new ATOM 548 N GLU A 38 24.463 31.967 -8.540 1.00 0.00 N ATOM 549 CA GLU A 38 24.100 31.068 -9.648 1.00 0.00 C ATOM 550 C GLU A 38 25.180 31.027 -10.745 1.00 0.00 C ATOM 551 O GLU A 38 25.529 29.961 -11.253 1.00 0.00 O ATOM 552 CB GLU A 38 22.759 31.537 -10.242 1.00 0.00 C ATOM 553 CG GLU A 38 22.019 30.404 -10.958 1.00 0.00 C ATOM 554 CD GLU A 38 20.905 30.923 -11.893 1.00 0.00 C ATOM 555 OE1 GLU A 38 20.159 31.863 -11.523 1.00 0.00 O ATOM 556 OE2 GLU A 38 20.783 30.393 -13.026 1.00 0.00 O ATOM 0 H GLU A 38 23.755 32.672 -8.336 1.00 0.00 H new ATOM 0 HA GLU A 38 24.012 30.055 -9.254 1.00 0.00 H new ATOM 0 HB2 GLU A 38 22.129 31.934 -9.446 1.00 0.00 H new ATOM 0 HB3 GLU A 38 22.939 32.352 -10.943 1.00 0.00 H new ATOM 0 HG2 GLU A 38 22.732 29.818 -11.538 1.00 0.00 H new ATOM 0 HG3 GLU A 38 21.584 29.733 -10.217 1.00 0.00 H new ATOM 563 N ASP A 39 25.775 32.187 -11.041 1.00 0.00 N ATOM 564 CA ASP A 39 26.850 32.360 -12.022 1.00 0.00 C ATOM 565 C ASP A 39 28.195 31.765 -11.574 1.00 0.00 C ATOM 566 O ASP A 39 29.024 31.443 -12.425 1.00 0.00 O ATOM 567 CB ASP A 39 26.975 33.864 -12.309 1.00 0.00 C ATOM 568 CG ASP A 39 28.000 34.180 -13.409 1.00 0.00 C ATOM 569 OD1 ASP A 39 27.754 33.800 -14.580 1.00 0.00 O ATOM 570 OD2 ASP A 39 29.030 34.832 -13.116 1.00 0.00 O ATOM 0 H ASP A 39 25.512 33.062 -10.588 1.00 0.00 H new ATOM 0 HA ASP A 39 26.590 31.807 -12.925 1.00 0.00 H new ATOM 0 HB2 ASP A 39 26.001 34.255 -12.604 1.00 0.00 H new ATOM 0 HB3 ASP A 39 27.262 34.381 -11.393 1.00 0.00 H new ATOM 575 N PHE A 40 28.407 31.556 -10.267 1.00 0.00 N ATOM 576 CA PHE A 40 29.556 30.799 -9.772 1.00 0.00 C ATOM 577 C PHE A 40 29.310 29.285 -9.861 1.00 0.00 C ATOM 578 O PHE A 40 30.236 28.543 -10.186 1.00 0.00 O ATOM 579 CB PHE A 40 29.872 31.250 -8.340 1.00 0.00 C ATOM 580 CG PHE A 40 31.060 30.541 -7.724 1.00 0.00 C ATOM 581 CD1 PHE A 40 32.364 31.024 -7.935 1.00 0.00 C ATOM 582 CD2 PHE A 40 30.859 29.386 -6.945 1.00 0.00 C ATOM 583 CE1 PHE A 40 33.462 30.364 -7.354 1.00 0.00 C ATOM 584 CE2 PHE A 40 31.951 28.742 -6.345 1.00 0.00 C ATOM 585 CZ PHE A 40 33.255 29.229 -6.551 1.00 0.00 C ATOM 0 H PHE A 40 27.791 31.905 -9.533 1.00 0.00 H new ATOM 0 HA PHE A 40 30.423 31.003 -10.401 1.00 0.00 H new ATOM 0 HB2 PHE A 40 30.062 32.323 -8.341 1.00 0.00 H new ATOM 0 HB3 PHE A 40 28.996 31.081 -7.714 1.00 0.00 H new ATOM 0 HD1 PHE A 40 32.522 31.902 -8.543 1.00 0.00 H new ATOM 0 HD2 PHE A 40 29.862 28.995 -6.809 1.00 0.00 H new ATOM 0 HE1 PHE A 40 34.464 30.729 -7.525 1.00 0.00 H new ATOM 0 HE2 PHE A 40 31.791 27.872 -5.725 1.00 0.00 H new ATOM 0 HZ PHE A 40 34.096 28.731 -6.092 1.00 0.00 H new ATOM 595 N LEU A 41 28.079 28.812 -9.605 1.00 0.00 N ATOM 596 CA LEU A 41 27.730 27.382 -9.481 1.00 0.00 C ATOM 597 C LEU A 41 27.504 26.684 -10.825 1.00 0.00 C ATOM 598 O LEU A 41 27.876 25.519 -10.971 1.00 0.00 O ATOM 599 CB LEU A 41 26.492 27.257 -8.566 1.00 0.00 C ATOM 600 CG LEU A 41 26.815 27.488 -7.080 1.00 0.00 C ATOM 601 CD1 LEU A 41 25.524 27.711 -6.298 1.00 0.00 C ATOM 602 CD2 LEU A 41 27.549 26.296 -6.451 1.00 0.00 C ATOM 0 H LEU A 41 27.276 29.428 -9.475 1.00 0.00 H new ATOM 0 HA LEU A 41 28.583 26.866 -9.039 1.00 0.00 H new ATOM 0 HB2 LEU A 41 25.738 27.977 -8.884 1.00 0.00 H new ATOM 0 HB3 LEU A 41 26.057 26.265 -8.687 1.00 0.00 H new ATOM 0 HG LEU A 41 27.463 28.363 -7.031 1.00 0.00 H new ATOM 0 HD11 LEU A 41 25.759 27.874 -5.246 1.00 0.00 H new ATOM 0 HD12 LEU A 41 25.005 28.584 -6.693 1.00 0.00 H new ATOM 0 HD13 LEU A 41 24.884 26.834 -6.395 1.00 0.00 H new ATOM 0 HD21 LEU A 41 27.755 26.508 -5.402 1.00 0.00 H new ATOM 0 HD22 LEU A 41 26.926 25.405 -6.526 1.00 0.00 H new ATOM 0 HD23 LEU A 41 28.488 26.128 -6.978 1.00 0.00 H new ATOM 614 N ARG A 42 26.992 27.389 -11.843 1.00 0.00 N ATOM 615 CA ARG A 42 26.874 26.850 -13.219 1.00 0.00 C ATOM 616 C ARG A 42 28.219 26.408 -13.823 1.00 0.00 C ATOM 617 O ARG A 42 28.257 25.555 -14.701 1.00 0.00 O ATOM 618 CB ARG A 42 26.183 27.883 -14.128 1.00 0.00 C ATOM 619 CG ARG A 42 27.016 29.157 -14.336 1.00 0.00 C ATOM 620 CD ARG A 42 26.328 30.138 -15.292 1.00 0.00 C ATOM 621 NE ARG A 42 27.233 31.248 -15.644 1.00 0.00 N ATOM 622 CZ ARG A 42 28.206 31.267 -16.535 1.00 0.00 C ATOM 623 NH1 ARG A 42 28.474 30.267 -17.329 1.00 0.00 N ATOM 624 NH2 ARG A 42 28.931 32.339 -16.618 1.00 0.00 N ATOM 0 H ARG A 42 26.648 28.344 -11.745 1.00 0.00 H new ATOM 0 HA ARG A 42 26.265 25.948 -13.153 1.00 0.00 H new ATOM 0 HB2 ARG A 42 25.980 27.427 -15.097 1.00 0.00 H new ATOM 0 HB3 ARG A 42 25.220 28.153 -13.694 1.00 0.00 H new ATOM 0 HG2 ARG A 42 27.183 29.643 -13.375 1.00 0.00 H new ATOM 0 HG3 ARG A 42 27.996 28.890 -14.732 1.00 0.00 H new ATOM 0 HD2 ARG A 42 26.018 29.615 -16.197 1.00 0.00 H new ATOM 0 HD3 ARG A 42 25.425 30.533 -14.827 1.00 0.00 H new ATOM 0 HE ARG A 42 27.087 32.117 -15.130 1.00 0.00 H new ATOM 0 HH11 ARG A 42 27.918 29.413 -17.280 1.00 0.00 H new ATOM 0 HH12 ARG A 42 29.240 30.339 -17.999 1.00 0.00 H new ATOM 0 HH21 ARG A 42 28.740 33.132 -16.006 1.00 0.00 H new ATOM 0 HH22 ARG A 42 29.692 32.389 -17.295 1.00 0.00 H new ATOM 638 N GLU A 43 29.326 26.956 -13.313 1.00 0.00 N ATOM 639 CA GLU A 43 30.700 26.577 -13.695 1.00 0.00 C ATOM 640 C GLU A 43 31.252 25.364 -12.920 1.00 0.00 C ATOM 641 O GLU A 43 32.382 24.937 -13.165 1.00 0.00 O ATOM 642 CB GLU A 43 31.643 27.786 -13.556 1.00 0.00 C ATOM 643 CG GLU A 43 31.096 29.018 -14.284 1.00 0.00 C ATOM 644 CD GLU A 43 32.210 30.028 -14.620 1.00 0.00 C ATOM 645 OE1 GLU A 43 32.867 30.560 -13.690 1.00 0.00 O ATOM 646 OE2 GLU A 43 32.443 30.297 -15.824 1.00 0.00 O ATOM 0 H GLU A 43 29.297 27.692 -12.607 1.00 0.00 H new ATOM 0 HA GLU A 43 30.652 26.264 -14.738 1.00 0.00 H new ATOM 0 HB2 GLU A 43 31.783 28.019 -12.500 1.00 0.00 H new ATOM 0 HB3 GLU A 43 32.623 27.531 -13.958 1.00 0.00 H new ATOM 0 HG2 GLU A 43 30.599 28.706 -15.203 1.00 0.00 H new ATOM 0 HG3 GLU A 43 30.342 29.502 -13.663 1.00 0.00 H new ATOM 653 N GLN A 44 30.480 24.792 -11.985 1.00 0.00 N ATOM 654 CA GLN A 44 30.909 23.703 -11.090 1.00 0.00 C ATOM 655 C GLN A 44 30.120 22.409 -11.302 1.00 0.00 C ATOM 656 O GLN A 44 30.613 21.345 -10.932 1.00 0.00 O ATOM 657 CB GLN A 44 30.761 24.118 -9.613 1.00 0.00 C ATOM 658 CG GLN A 44 31.246 25.535 -9.298 1.00 0.00 C ATOM 659 CD GLN A 44 32.678 25.847 -9.733 1.00 0.00 C ATOM 660 OE1 GLN A 44 33.534 24.987 -9.891 1.00 0.00 O ATOM 661 NE2 GLN A 44 32.996 27.110 -9.893 1.00 0.00 N ATOM 0 H GLN A 44 29.515 25.080 -11.825 1.00 0.00 H new ATOM 0 HA GLN A 44 31.954 23.515 -11.336 1.00 0.00 H new ATOM 0 HB2 GLN A 44 29.712 24.036 -9.329 1.00 0.00 H new ATOM 0 HB3 GLN A 44 31.315 23.412 -8.994 1.00 0.00 H new ATOM 0 HG2 GLN A 44 30.575 26.246 -9.779 1.00 0.00 H new ATOM 0 HG3 GLN A 44 31.167 25.698 -8.223 1.00 0.00 H new ATOM 0 HE21 GLN A 44 32.289 27.834 -9.764 1.00 0.00 H new ATOM 0 HE22 GLN A 44 33.950 27.368 -10.147 1.00 0.00 H new ATOM 670 N ILE A 45 28.914 22.486 -11.890 1.00 0.00 N ATOM 671 CA ILE A 45 28.049 21.318 -12.134 1.00 0.00 C ATOM 672 C ILE A 45 28.782 20.221 -12.896 1.00 0.00 C ATOM 673 O ILE A 45 28.930 19.116 -12.377 1.00 0.00 O ATOM 674 CB ILE A 45 26.752 21.654 -12.907 1.00 0.00 C ATOM 675 CG1 ILE A 45 26.813 22.888 -13.829 1.00 0.00 C ATOM 676 CG2 ILE A 45 25.604 21.802 -11.915 1.00 0.00 C ATOM 677 CD1 ILE A 45 25.672 22.949 -14.853 1.00 0.00 C ATOM 0 H ILE A 45 28.509 23.365 -12.211 1.00 0.00 H new ATOM 0 HA ILE A 45 27.775 20.972 -11.137 1.00 0.00 H new ATOM 0 HB ILE A 45 26.598 20.816 -13.587 1.00 0.00 H new ATOM 0 HG12 ILE A 45 26.789 23.790 -13.217 1.00 0.00 H new ATOM 0 HG13 ILE A 45 27.766 22.888 -14.359 1.00 0.00 H new ATOM 0 HG21 ILE A 45 24.686 22.039 -12.453 1.00 0.00 H new ATOM 0 HG22 ILE A 45 25.473 20.868 -11.368 1.00 0.00 H new ATOM 0 HG23 ILE A 45 25.831 22.605 -11.213 1.00 0.00 H new ATOM 0 HD11 ILE A 45 25.781 23.844 -15.466 1.00 0.00 H new ATOM 0 HD12 ILE A 45 25.708 22.066 -15.491 1.00 0.00 H new ATOM 0 HD13 ILE A 45 24.716 22.981 -14.331 1.00 0.00 H new ATOM 689 N ARG A 46 29.227 20.514 -14.128 1.00 0.00 N ATOM 690 CA ARG A 46 30.121 19.707 -14.978 1.00 0.00 C ATOM 691 C ARG A 46 29.598 18.348 -15.447 1.00 0.00 C ATOM 692 O ARG A 46 30.146 17.769 -16.385 1.00 0.00 O ATOM 693 CB ARG A 46 31.533 19.657 -14.371 1.00 0.00 C ATOM 694 CG ARG A 46 32.140 21.065 -14.270 1.00 0.00 C ATOM 695 CD ARG A 46 33.341 21.063 -13.332 1.00 0.00 C ATOM 696 NE ARG A 46 33.822 22.444 -13.124 1.00 0.00 N ATOM 697 CZ ARG A 46 34.985 22.840 -12.648 1.00 0.00 C ATOM 698 NH1 ARG A 46 35.924 22.005 -12.302 1.00 0.00 N ATOM 699 NH2 ARG A 46 35.203 24.114 -12.515 1.00 0.00 N ATOM 0 H ARG A 46 28.953 21.381 -14.590 1.00 0.00 H new ATOM 0 HA ARG A 46 30.164 20.240 -15.928 1.00 0.00 H new ATOM 0 HB2 ARG A 46 31.491 19.204 -13.381 1.00 0.00 H new ATOM 0 HB3 ARG A 46 32.174 19.024 -14.985 1.00 0.00 H new ATOM 0 HG2 ARG A 46 32.444 21.408 -15.259 1.00 0.00 H new ATOM 0 HG3 ARG A 46 31.389 21.766 -13.907 1.00 0.00 H new ATOM 0 HD2 ARG A 46 33.066 20.617 -12.376 1.00 0.00 H new ATOM 0 HD3 ARG A 46 34.139 20.450 -13.751 1.00 0.00 H new ATOM 0 HE ARG A 46 33.171 23.186 -13.382 1.00 0.00 H new ATOM 0 HH11 ARG A 46 35.773 21.001 -12.395 1.00 0.00 H new ATOM 0 HH12 ARG A 46 36.810 22.356 -11.938 1.00 0.00 H new ATOM 0 HH21 ARG A 46 34.481 24.785 -12.777 1.00 0.00 H new ATOM 0 HH22 ARG A 46 36.096 24.443 -12.148 1.00 0.00 H new ATOM 713 N ASP A 47 28.502 17.889 -14.858 1.00 0.00 N ATOM 714 CA ASP A 47 27.762 16.692 -15.298 1.00 0.00 C ATOM 715 C ASP A 47 26.263 16.763 -14.946 1.00 0.00 C ATOM 716 O ASP A 47 25.421 16.256 -15.689 1.00 0.00 O ATOM 717 CB ASP A 47 28.398 15.445 -14.654 1.00 0.00 C ATOM 718 CG ASP A 47 28.008 14.113 -15.325 1.00 0.00 C ATOM 719 OD1 ASP A 47 27.547 14.100 -16.493 1.00 0.00 O ATOM 720 OD2 ASP A 47 28.222 13.050 -14.696 1.00 0.00 O ATOM 0 H ASP A 47 28.086 18.341 -14.043 1.00 0.00 H new ATOM 0 HA ASP A 47 27.829 16.636 -16.385 1.00 0.00 H new ATOM 0 HB2 ASP A 47 29.483 15.549 -14.684 1.00 0.00 H new ATOM 0 HB3 ASP A 47 28.110 15.407 -13.603 1.00 0.00 H new ATOM 725 N ALA A 48 25.909 17.429 -13.839 1.00 0.00 N ATOM 726 CA ALA A 48 24.519 17.618 -13.429 1.00 0.00 C ATOM 727 C ALA A 48 23.793 18.711 -14.229 1.00 0.00 C ATOM 728 O ALA A 48 24.406 19.672 -14.698 1.00 0.00 O ATOM 729 CB ALA A 48 24.469 17.927 -11.932 1.00 0.00 C ATOM 0 H ALA A 48 26.585 17.852 -13.203 1.00 0.00 H new ATOM 0 HA ALA A 48 23.990 16.688 -13.640 1.00 0.00 H new ATOM 0 HB1 ALA A 48 23.433 18.068 -11.624 1.00 0.00 H new ATOM 0 HB2 ALA A 48 24.903 17.097 -11.374 1.00 0.00 H new ATOM 0 HB3 ALA A 48 25.035 18.836 -11.729 1.00 0.00 H new ATOM 735 N ARG A 49 22.462 18.603 -14.302 1.00 0.00 N ATOM 736 CA ARG A 49 21.563 19.625 -14.850 1.00 0.00 C ATOM 737 C ARG A 49 21.459 20.837 -13.924 1.00 0.00 C ATOM 738 O ARG A 49 21.751 21.953 -14.355 1.00 0.00 O ATOM 739 CB ARG A 49 20.183 18.991 -15.139 1.00 0.00 C ATOM 740 CG ARG A 49 19.841 18.885 -16.632 1.00 0.00 C ATOM 741 CD ARG A 49 20.893 18.207 -17.529 1.00 0.00 C ATOM 742 NE ARG A 49 21.397 16.927 -16.987 1.00 0.00 N ATOM 743 CZ ARG A 49 22.089 16.004 -17.627 1.00 0.00 C ATOM 744 NH1 ARG A 49 22.302 16.055 -18.913 1.00 0.00 N ATOM 745 NH2 ARG A 49 22.589 15.005 -16.965 1.00 0.00 N ATOM 0 H ARG A 49 21.965 17.776 -13.971 1.00 0.00 H new ATOM 0 HA ARG A 49 21.975 19.997 -15.788 1.00 0.00 H new ATOM 0 HB2 ARG A 49 20.154 17.994 -14.699 1.00 0.00 H new ATOM 0 HB3 ARG A 49 19.413 19.581 -14.642 1.00 0.00 H new ATOM 0 HG2 ARG A 49 18.904 18.337 -16.730 1.00 0.00 H new ATOM 0 HG3 ARG A 49 19.663 19.890 -17.014 1.00 0.00 H new ATOM 0 HD2 ARG A 49 20.459 18.029 -18.513 1.00 0.00 H new ATOM 0 HD3 ARG A 49 21.732 18.888 -17.669 1.00 0.00 H new ATOM 0 HE ARG A 49 21.186 16.736 -16.008 1.00 0.00 H new ATOM 0 HH11 ARG A 49 21.928 16.829 -19.462 1.00 0.00 H new ATOM 0 HH12 ARG A 49 22.843 15.321 -19.370 1.00 0.00 H new ATOM 0 HH21 ARG A 49 22.445 14.938 -15.957 1.00 0.00 H new ATOM 0 HH22 ARG A 49 23.125 14.287 -17.453 1.00 0.00 H new ATOM 759 N TYR A 50 21.066 20.623 -12.664 1.00 0.00 N ATOM 760 CA TYR A 50 20.716 21.710 -11.734 1.00 0.00 C ATOM 761 C TYR A 50 21.488 21.621 -10.408 1.00 0.00 C ATOM 762 O TYR A 50 21.512 20.561 -9.783 1.00 0.00 O ATOM 763 CB TYR A 50 19.192 21.673 -11.479 1.00 0.00 C ATOM 764 CG TYR A 50 18.317 21.371 -12.689 1.00 0.00 C ATOM 765 CD1 TYR A 50 18.515 22.066 -13.897 1.00 0.00 C ATOM 766 CD2 TYR A 50 17.307 20.393 -12.612 1.00 0.00 C ATOM 767 CE1 TYR A 50 17.722 21.784 -15.024 1.00 0.00 C ATOM 768 CE2 TYR A 50 16.502 20.107 -13.734 1.00 0.00 C ATOM 769 CZ TYR A 50 16.709 20.805 -14.945 1.00 0.00 C ATOM 770 OH TYR A 50 15.934 20.545 -16.033 1.00 0.00 O ATOM 0 H TYR A 50 20.980 19.692 -12.257 1.00 0.00 H new ATOM 0 HA TYR A 50 21.000 22.657 -12.192 1.00 0.00 H new ATOM 0 HB2 TYR A 50 18.990 20.923 -10.714 1.00 0.00 H new ATOM 0 HB3 TYR A 50 18.889 22.636 -11.069 1.00 0.00 H new ATOM 0 HD1 TYR A 50 19.283 22.823 -13.959 1.00 0.00 H new ATOM 0 HD2 TYR A 50 17.148 19.858 -11.687 1.00 0.00 H new ATOM 0 HE1 TYR A 50 17.888 22.316 -15.949 1.00 0.00 H new ATOM 0 HE2 TYR A 50 15.729 19.356 -13.668 1.00 0.00 H new ATOM 0 HH TYR A 50 15.285 19.844 -15.813 1.00 0.00 H new ATOM 780 N ALA A 51 22.093 22.721 -9.940 1.00 0.00 N ATOM 781 CA ALA A 51 22.659 22.817 -8.582 1.00 0.00 C ATOM 782 C ALA A 51 21.793 23.764 -7.725 1.00 0.00 C ATOM 783 O ALA A 51 21.252 24.738 -8.246 1.00 0.00 O ATOM 784 CB ALA A 51 24.119 23.271 -8.654 1.00 0.00 C ATOM 0 H ALA A 51 22.205 23.572 -10.491 1.00 0.00 H new ATOM 0 HA ALA A 51 22.649 21.838 -8.104 1.00 0.00 H new ATOM 0 HB1 ALA A 51 24.529 23.339 -7.646 1.00 0.00 H new ATOM 0 HB2 ALA A 51 24.696 22.550 -9.233 1.00 0.00 H new ATOM 0 HB3 ALA A 51 24.173 24.248 -9.134 1.00 0.00 H new ATOM 790 N VAL A 52 21.635 23.480 -6.429 1.00 0.00 N ATOM 791 CA VAL A 52 20.675 24.161 -5.541 1.00 0.00 C ATOM 792 C VAL A 52 21.301 24.407 -4.169 1.00 0.00 C ATOM 793 O VAL A 52 21.992 23.544 -3.625 1.00 0.00 O ATOM 794 CB VAL A 52 19.358 23.357 -5.441 1.00 0.00 C ATOM 795 CG1 VAL A 52 18.375 23.964 -4.429 1.00 0.00 C ATOM 796 CG2 VAL A 52 18.647 23.265 -6.798 1.00 0.00 C ATOM 0 H VAL A 52 22.178 22.758 -5.955 1.00 0.00 H new ATOM 0 HA VAL A 52 20.427 25.133 -5.968 1.00 0.00 H new ATOM 0 HB VAL A 52 19.651 22.363 -5.104 1.00 0.00 H new ATOM 0 HG11 VAL A 52 17.467 23.362 -4.397 1.00 0.00 H new ATOM 0 HG12 VAL A 52 18.834 23.980 -3.441 1.00 0.00 H new ATOM 0 HG13 VAL A 52 18.125 24.981 -4.730 1.00 0.00 H new ATOM 0 HG21 VAL A 52 17.726 22.693 -6.688 1.00 0.00 H new ATOM 0 HG22 VAL A 52 18.411 24.268 -7.154 1.00 0.00 H new ATOM 0 HG23 VAL A 52 19.299 22.769 -7.517 1.00 0.00 H new ATOM 806 N ILE A 53 21.057 25.589 -3.596 1.00 0.00 N ATOM 807 CA ILE A 53 21.733 26.087 -2.393 1.00 0.00 C ATOM 808 C ILE A 53 20.802 26.362 -1.212 1.00 0.00 C ATOM 809 O ILE A 53 19.802 27.059 -1.350 1.00 0.00 O ATOM 810 CB ILE A 53 22.598 27.318 -2.788 1.00 0.00 C ATOM 811 CG1 ILE A 53 24.078 26.917 -2.898 1.00 0.00 C ATOM 812 CG2 ILE A 53 22.463 28.572 -1.891 1.00 0.00 C ATOM 813 CD1 ILE A 53 24.641 26.318 -1.606 1.00 0.00 C ATOM 0 H ILE A 53 20.367 26.243 -3.965 1.00 0.00 H new ATOM 0 HA ILE A 53 22.378 25.294 -2.015 1.00 0.00 H new ATOM 0 HB ILE A 53 22.194 27.624 -3.753 1.00 0.00 H new ATOM 0 HG12 ILE A 53 24.192 26.194 -3.705 1.00 0.00 H new ATOM 0 HG13 ILE A 53 24.666 27.794 -3.170 1.00 0.00 H new ATOM 0 HG21 ILE A 53 23.114 29.361 -2.268 1.00 0.00 H new ATOM 0 HG22 ILE A 53 21.429 28.918 -1.903 1.00 0.00 H new ATOM 0 HG23 ILE A 53 22.750 28.322 -0.870 1.00 0.00 H new ATOM 0 HD11 ILE A 53 25.689 26.057 -1.752 1.00 0.00 H new ATOM 0 HD12 ILE A 53 24.558 27.047 -0.800 1.00 0.00 H new ATOM 0 HD13 ILE A 53 24.077 25.423 -1.344 1.00 0.00 H new ATOM 825 N ARG A 54 21.194 25.880 -0.027 1.00 0.00 N ATOM 826 CA ARG A 54 20.557 26.155 1.273 1.00 0.00 C ATOM 827 C ARG A 54 21.628 26.589 2.286 1.00 0.00 C ATOM 828 O ARG A 54 22.148 25.777 3.046 1.00 0.00 O ATOM 829 CB ARG A 54 19.808 24.887 1.738 1.00 0.00 C ATOM 830 CG ARG A 54 18.702 24.362 0.805 1.00 0.00 C ATOM 831 CD ARG A 54 17.507 25.304 0.619 1.00 0.00 C ATOM 832 NE ARG A 54 16.753 25.499 1.876 1.00 0.00 N ATOM 833 CZ ARG A 54 15.547 26.029 2.008 1.00 0.00 C ATOM 834 NH1 ARG A 54 14.860 26.452 0.985 1.00 0.00 N ATOM 835 NH2 ARG A 54 15.003 26.142 3.185 1.00 0.00 N ATOM 0 H ARG A 54 21.999 25.260 0.059 1.00 0.00 H new ATOM 0 HA ARG A 54 19.835 26.967 1.186 1.00 0.00 H new ATOM 0 HB2 ARG A 54 20.540 24.092 1.881 1.00 0.00 H new ATOM 0 HB3 ARG A 54 19.364 25.091 2.712 1.00 0.00 H new ATOM 0 HG2 ARG A 54 19.139 24.158 -0.172 1.00 0.00 H new ATOM 0 HG3 ARG A 54 18.338 23.412 1.197 1.00 0.00 H new ATOM 0 HD2 ARG A 54 17.860 26.269 0.255 1.00 0.00 H new ATOM 0 HD3 ARG A 54 16.842 24.899 -0.144 1.00 0.00 H new ATOM 0 HE ARG A 54 17.211 25.192 2.734 1.00 0.00 H new ATOM 0 HH11 ARG A 54 15.249 26.380 0.045 1.00 0.00 H new ATOM 0 HH12 ARG A 54 13.933 26.855 1.124 1.00 0.00 H new ATOM 0 HH21 ARG A 54 15.506 25.821 4.012 1.00 0.00 H new ATOM 0 HH22 ARG A 54 14.074 26.551 3.280 1.00 0.00 H new ATOM 849 N ILE A 55 21.995 27.869 2.279 1.00 0.00 N ATOM 850 CA ILE A 55 22.905 28.476 3.277 1.00 0.00 C ATOM 851 C ILE A 55 22.072 29.239 4.328 1.00 0.00 C ATOM 852 O ILE A 55 21.210 30.030 3.936 1.00 0.00 O ATOM 853 CB ILE A 55 23.937 29.390 2.573 1.00 0.00 C ATOM 854 CG1 ILE A 55 24.932 28.553 1.743 1.00 0.00 C ATOM 855 CG2 ILE A 55 24.733 30.255 3.571 1.00 0.00 C ATOM 856 CD1 ILE A 55 25.498 29.299 0.541 1.00 0.00 C ATOM 0 H ILE A 55 21.670 28.532 1.575 1.00 0.00 H new ATOM 0 HA ILE A 55 23.467 27.698 3.793 1.00 0.00 H new ATOM 0 HB ILE A 55 23.366 30.051 1.921 1.00 0.00 H new ATOM 0 HG12 ILE A 55 25.754 28.238 2.385 1.00 0.00 H new ATOM 0 HG13 ILE A 55 24.433 27.648 1.397 1.00 0.00 H new ATOM 0 HG21 ILE A 55 25.443 30.878 3.027 1.00 0.00 H new ATOM 0 HG22 ILE A 55 24.046 30.891 4.130 1.00 0.00 H new ATOM 0 HG23 ILE A 55 25.273 29.609 4.263 1.00 0.00 H new ATOM 0 HD11 ILE A 55 26.190 28.651 0.003 1.00 0.00 H new ATOM 0 HD12 ILE A 55 24.684 29.591 -0.123 1.00 0.00 H new ATOM 0 HD13 ILE A 55 26.026 30.190 0.881 1.00 0.00 H new ATOM 868 N PRO A 56 22.313 29.062 5.643 1.00 0.00 N ATOM 869 CA PRO A 56 21.595 29.807 6.678 1.00 0.00 C ATOM 870 C PRO A 56 21.915 31.313 6.620 1.00 0.00 C ATOM 871 O PRO A 56 23.073 31.719 6.498 1.00 0.00 O ATOM 872 CB PRO A 56 22.001 29.165 8.009 1.00 0.00 C ATOM 873 CG PRO A 56 23.382 28.578 7.717 1.00 0.00 C ATOM 874 CD PRO A 56 23.269 28.146 6.256 1.00 0.00 C ATOM 0 HA PRO A 56 20.515 29.752 6.539 1.00 0.00 H new ATOM 0 HB2 PRO A 56 22.039 29.899 8.813 1.00 0.00 H new ATOM 0 HB3 PRO A 56 21.294 28.394 8.315 1.00 0.00 H new ATOM 0 HG2 PRO A 56 24.172 29.315 7.860 1.00 0.00 H new ATOM 0 HG3 PRO A 56 23.609 27.736 8.371 1.00 0.00 H new ATOM 0 HD2 PRO A 56 24.236 28.199 5.757 1.00 0.00 H new ATOM 0 HD3 PRO A 56 22.926 27.114 6.179 1.00 0.00 H new ATOM 882 N GLY A 57 20.876 32.150 6.704 1.00 0.00 N ATOM 883 CA GLY A 57 20.977 33.617 6.684 1.00 0.00 C ATOM 884 C GLY A 57 20.939 34.266 5.290 1.00 0.00 C ATOM 885 O GLY A 57 20.997 35.494 5.201 1.00 0.00 O ATOM 0 H GLY A 57 19.915 31.819 6.790 1.00 0.00 H new ATOM 0 HA2 GLY A 57 20.161 34.028 7.279 1.00 0.00 H new ATOM 0 HA3 GLY A 57 21.906 33.906 7.175 1.00 0.00 H new ATOM 889 N GLN A 58 20.815 33.481 4.210 1.00 0.00 N ATOM 890 CA GLN A 58 20.612 33.976 2.836 1.00 0.00 C ATOM 891 C GLN A 58 19.515 33.181 2.087 1.00 0.00 C ATOM 892 O GLN A 58 19.224 32.041 2.468 1.00 0.00 O ATOM 893 CB GLN A 58 21.970 33.998 2.102 1.00 0.00 C ATOM 894 CG GLN A 58 22.462 32.637 1.602 1.00 0.00 C ATOM 895 CD GLN A 58 23.829 32.745 0.925 1.00 0.00 C ATOM 896 OE1 GLN A 58 23.993 32.494 -0.260 1.00 0.00 O ATOM 897 NE2 GLN A 58 24.868 33.123 1.645 1.00 0.00 N ATOM 0 H GLN A 58 20.853 32.463 4.266 1.00 0.00 H new ATOM 0 HA GLN A 58 20.234 34.998 2.870 1.00 0.00 H new ATOM 0 HB2 GLN A 58 21.894 34.674 1.251 1.00 0.00 H new ATOM 0 HB3 GLN A 58 22.721 34.414 2.773 1.00 0.00 H new ATOM 0 HG2 GLN A 58 22.524 31.942 2.440 1.00 0.00 H new ATOM 0 HG3 GLN A 58 21.739 32.224 0.899 1.00 0.00 H new ATOM 0 HE21 GLN A 58 24.751 33.337 2.635 1.00 0.00 H new ATOM 0 HE22 GLN A 58 25.788 33.201 1.211 1.00 0.00 H new ATOM 906 N PRO A 59 18.891 33.739 1.029 1.00 0.00 N ATOM 907 CA PRO A 59 17.862 33.037 0.259 1.00 0.00 C ATOM 908 C PRO A 59 18.428 31.864 -0.562 1.00 0.00 C ATOM 909 O PRO A 59 19.603 31.842 -0.940 1.00 0.00 O ATOM 910 CB PRO A 59 17.220 34.106 -0.634 1.00 0.00 C ATOM 911 CG PRO A 59 18.350 35.112 -0.841 1.00 0.00 C ATOM 912 CD PRO A 59 19.076 35.087 0.504 1.00 0.00 C ATOM 0 HA PRO A 59 17.131 32.572 0.920 1.00 0.00 H new ATOM 0 HB2 PRO A 59 16.876 33.687 -1.580 1.00 0.00 H new ATOM 0 HB3 PRO A 59 16.355 34.565 -0.155 1.00 0.00 H new ATOM 0 HG2 PRO A 59 19.007 34.820 -1.661 1.00 0.00 H new ATOM 0 HG3 PRO A 59 17.969 36.106 -1.077 1.00 0.00 H new ATOM 0 HD2 PRO A 59 20.134 35.317 0.382 1.00 0.00 H new ATOM 0 HD3 PRO A 59 18.664 35.832 1.185 1.00 0.00 H new ATOM 920 N VAL A 60 17.560 30.895 -0.872 1.00 0.00 N ATOM 921 CA VAL A 60 17.846 29.774 -1.790 1.00 0.00 C ATOM 922 C VAL A 60 18.258 30.275 -3.183 1.00 0.00 C ATOM 923 O VAL A 60 17.676 31.221 -3.723 1.00 0.00 O ATOM 924 CB VAL A 60 16.642 28.798 -1.855 1.00 0.00 C ATOM 925 CG1 VAL A 60 15.306 29.482 -2.192 1.00 0.00 C ATOM 926 CG2 VAL A 60 16.820 27.654 -2.861 1.00 0.00 C ATOM 0 H VAL A 60 16.616 30.863 -0.486 1.00 0.00 H new ATOM 0 HA VAL A 60 18.697 29.221 -1.393 1.00 0.00 H new ATOM 0 HB VAL A 60 16.613 28.399 -0.841 1.00 0.00 H new ATOM 0 HG11 VAL A 60 14.512 28.736 -2.220 1.00 0.00 H new ATOM 0 HG12 VAL A 60 15.077 30.228 -1.431 1.00 0.00 H new ATOM 0 HG13 VAL A 60 15.381 29.968 -3.165 1.00 0.00 H new ATOM 0 HG21 VAL A 60 15.936 27.016 -2.847 1.00 0.00 H new ATOM 0 HG22 VAL A 60 16.954 28.066 -3.861 1.00 0.00 H new ATOM 0 HG23 VAL A 60 17.697 27.065 -2.591 1.00 0.00 H new ATOM 936 N VAL A 61 19.251 29.606 -3.776 1.00 0.00 N ATOM 937 CA VAL A 61 19.708 29.805 -5.167 1.00 0.00 C ATOM 938 C VAL A 61 19.526 28.496 -5.938 1.00 0.00 C ATOM 939 O VAL A 61 19.798 27.423 -5.400 1.00 0.00 O ATOM 940 CB VAL A 61 21.169 30.309 -5.212 1.00 0.00 C ATOM 941 CG1 VAL A 61 21.702 30.468 -6.643 1.00 0.00 C ATOM 942 CG2 VAL A 61 21.312 31.667 -4.513 1.00 0.00 C ATOM 0 H VAL A 61 19.782 28.884 -3.289 1.00 0.00 H new ATOM 0 HA VAL A 61 19.106 30.579 -5.643 1.00 0.00 H new ATOM 0 HB VAL A 61 21.751 29.545 -4.696 1.00 0.00 H new ATOM 0 HG11 VAL A 61 22.732 30.824 -6.610 1.00 0.00 H new ATOM 0 HG12 VAL A 61 21.667 29.505 -7.153 1.00 0.00 H new ATOM 0 HG13 VAL A 61 21.086 31.187 -7.183 1.00 0.00 H new ATOM 0 HG21 VAL A 61 22.351 31.994 -4.562 1.00 0.00 H new ATOM 0 HG22 VAL A 61 20.677 32.401 -5.010 1.00 0.00 H new ATOM 0 HG23 VAL A 61 21.010 31.573 -3.470 1.00 0.00 H new ATOM 952 N GLU A 62 19.070 28.574 -7.188 1.00 0.00 N ATOM 953 CA GLU A 62 18.809 27.421 -8.065 1.00 0.00 C ATOM 954 C GLU A 62 19.412 27.684 -9.454 1.00 0.00 C ATOM 955 O GLU A 62 19.067 28.671 -10.109 1.00 0.00 O ATOM 956 CB GLU A 62 17.290 27.172 -8.184 1.00 0.00 C ATOM 957 CG GLU A 62 16.602 26.882 -6.843 1.00 0.00 C ATOM 958 CD GLU A 62 15.081 26.719 -7.009 1.00 0.00 C ATOM 959 OE1 GLU A 62 14.369 27.734 -7.201 1.00 0.00 O ATOM 960 OE2 GLU A 62 14.563 25.580 -6.916 1.00 0.00 O ATOM 0 H GLU A 62 18.864 29.467 -7.637 1.00 0.00 H new ATOM 0 HA GLU A 62 19.273 26.534 -7.634 1.00 0.00 H new ATOM 0 HB2 GLU A 62 16.823 28.045 -8.640 1.00 0.00 H new ATOM 0 HB3 GLU A 62 17.121 26.332 -8.858 1.00 0.00 H new ATOM 0 HG2 GLU A 62 17.020 25.974 -6.408 1.00 0.00 H new ATOM 0 HG3 GLU A 62 16.807 27.694 -6.145 1.00 0.00 H new ATOM 967 N VAL A 63 20.316 26.815 -9.917 1.00 0.00 N ATOM 968 CA VAL A 63 21.026 26.920 -11.201 1.00 0.00 C ATOM 969 C VAL A 63 20.316 26.112 -12.292 1.00 0.00 C ATOM 970 O VAL A 63 19.707 25.079 -12.007 1.00 0.00 O ATOM 971 CB VAL A 63 22.468 26.409 -11.017 1.00 0.00 C ATOM 972 CG1 VAL A 63 23.354 26.629 -12.241 1.00 0.00 C ATOM 973 CG2 VAL A 63 23.197 27.052 -9.834 1.00 0.00 C ATOM 0 H VAL A 63 20.586 25.985 -9.389 1.00 0.00 H new ATOM 0 HA VAL A 63 21.038 27.964 -11.515 1.00 0.00 H new ATOM 0 HB VAL A 63 22.325 25.343 -10.840 1.00 0.00 H new ATOM 0 HG11 VAL A 63 24.354 26.245 -12.040 1.00 0.00 H new ATOM 0 HG12 VAL A 63 22.929 26.104 -13.097 1.00 0.00 H new ATOM 0 HG13 VAL A 63 23.412 27.695 -12.461 1.00 0.00 H new ATOM 0 HG21 VAL A 63 24.206 26.646 -9.764 1.00 0.00 H new ATOM 0 HG22 VAL A 63 23.250 28.131 -9.982 1.00 0.00 H new ATOM 0 HG23 VAL A 63 22.655 26.838 -8.913 1.00 0.00 H new ATOM 983 N GLY A 64 20.446 26.518 -13.558 1.00 0.00 N ATOM 984 CA GLY A 64 19.955 25.746 -14.702 1.00 0.00 C ATOM 985 C GLY A 64 18.458 25.960 -14.956 1.00 0.00 C ATOM 986 O GLY A 64 18.073 26.977 -15.531 1.00 0.00 O ATOM 0 H GLY A 64 20.897 27.395 -13.819 1.00 0.00 H new ATOM 0 HA2 GLY A 64 20.515 26.028 -15.594 1.00 0.00 H new ATOM 0 HA3 GLY A 64 20.143 24.686 -14.529 1.00 0.00 H new ATOM 990 N THR A 65 17.610 25.003 -14.560 1.00 0.00 N ATOM 991 CA THR A 65 16.133 25.109 -14.622 1.00 0.00 C ATOM 992 C THR A 65 15.508 24.407 -13.410 1.00 0.00 C ATOM 993 O THR A 65 15.975 23.360 -12.978 1.00 0.00 O ATOM 994 CB THR A 65 15.572 24.509 -15.931 1.00 0.00 C ATOM 995 OG1 THR A 65 16.097 25.183 -17.057 1.00 0.00 O ATOM 996 CG2 THR A 65 14.050 24.616 -16.062 1.00 0.00 C ATOM 0 H THR A 65 17.930 24.113 -14.179 1.00 0.00 H new ATOM 0 HA THR A 65 15.872 26.167 -14.605 1.00 0.00 H new ATOM 0 HB THR A 65 15.863 23.459 -15.892 1.00 0.00 H new ATOM 0 HG1 THR A 65 15.731 24.787 -17.875 1.00 0.00 H new ATOM 0 HG21 THR A 65 13.734 24.173 -17.006 1.00 0.00 H new ATOM 0 HG22 THR A 65 13.576 24.086 -15.236 1.00 0.00 H new ATOM 0 HG23 THR A 65 13.756 25.665 -16.037 1.00 0.00 H new ATOM 1004 N LYS A 66 14.438 24.964 -12.838 1.00 0.00 N ATOM 1005 CA LYS A 66 13.762 24.390 -11.665 1.00 0.00 C ATOM 1006 C LYS A 66 13.115 23.026 -12.006 1.00 0.00 C ATOM 1007 O LYS A 66 12.334 22.956 -12.963 1.00 0.00 O ATOM 1008 CB LYS A 66 12.739 25.400 -11.118 1.00 0.00 C ATOM 1009 CG LYS A 66 12.222 24.985 -9.732 1.00 0.00 C ATOM 1010 CD LYS A 66 11.200 25.997 -9.196 1.00 0.00 C ATOM 1011 CE LYS A 66 10.786 25.669 -7.754 1.00 0.00 C ATOM 1012 NZ LYS A 66 11.815 26.094 -6.767 1.00 0.00 N ATOM 0 H LYS A 66 14.012 25.828 -13.174 1.00 0.00 H new ATOM 0 HA LYS A 66 14.497 24.195 -10.884 1.00 0.00 H new ATOM 0 HB2 LYS A 66 13.198 26.387 -11.056 1.00 0.00 H new ATOM 0 HB3 LYS A 66 11.901 25.482 -11.810 1.00 0.00 H new ATOM 0 HG2 LYS A 66 11.763 23.998 -9.792 1.00 0.00 H new ATOM 0 HG3 LYS A 66 13.058 24.906 -9.037 1.00 0.00 H new ATOM 0 HD2 LYS A 66 11.625 27.000 -9.234 1.00 0.00 H new ATOM 0 HD3 LYS A 66 10.318 26.000 -9.837 1.00 0.00 H new ATOM 0 HE2 LYS A 66 9.841 26.162 -7.527 1.00 0.00 H new ATOM 0 HE3 LYS A 66 10.616 24.596 -7.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 11.579 25.707 -5.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 12.747 25.740 -7.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 11.839 27.132 -6.716 1.00 0.00 H new ATOM 1026 N PRO A 67 13.416 21.948 -11.257 1.00 0.00 N ATOM 1027 CA PRO A 67 12.989 20.589 -11.583 1.00 0.00 C ATOM 1028 C PRO A 67 11.517 20.281 -11.271 1.00 0.00 C ATOM 1029 O PRO A 67 10.897 20.848 -10.369 1.00 0.00 O ATOM 1030 CB PRO A 67 13.913 19.669 -10.798 1.00 0.00 C ATOM 1031 CG PRO A 67 14.328 20.501 -9.596 1.00 0.00 C ATOM 1032 CD PRO A 67 14.356 21.920 -10.151 1.00 0.00 C ATOM 0 HA PRO A 67 13.057 20.446 -12.661 1.00 0.00 H new ATOM 0 HB2 PRO A 67 13.402 18.756 -10.494 1.00 0.00 H new ATOM 0 HB3 PRO A 67 14.776 19.369 -11.392 1.00 0.00 H new ATOM 0 HG2 PRO A 67 13.619 20.404 -8.774 1.00 0.00 H new ATOM 0 HG3 PRO A 67 15.303 20.198 -9.213 1.00 0.00 H new ATOM 0 HD2 PRO A 67 14.075 22.642 -9.384 1.00 0.00 H new ATOM 0 HD3 PRO A 67 15.358 22.186 -10.487 1.00 0.00 H new ATOM 1040 N THR A 68 10.988 19.317 -12.030 1.00 0.00 N ATOM 1041 CA THR A 68 9.539 19.002 -12.066 1.00 0.00 C ATOM 1042 C THR A 68 9.035 18.095 -10.927 1.00 0.00 C ATOM 1043 O THR A 68 7.855 18.133 -10.574 1.00 0.00 O ATOM 1044 CB THR A 68 9.186 18.445 -13.460 1.00 0.00 C ATOM 1045 OG1 THR A 68 7.791 18.381 -13.651 1.00 0.00 O ATOM 1046 CG2 THR A 68 9.768 17.053 -13.723 1.00 0.00 C ATOM 0 H THR A 68 11.548 18.725 -12.643 1.00 0.00 H new ATOM 0 HA THR A 68 9.006 19.936 -11.888 1.00 0.00 H new ATOM 0 HB THR A 68 9.635 19.145 -14.164 1.00 0.00 H new ATOM 0 HG1 THR A 68 7.599 18.026 -14.544 1.00 0.00 H new ATOM 0 HG21 THR A 68 9.481 16.721 -14.721 1.00 0.00 H new ATOM 0 HG22 THR A 68 10.855 17.094 -13.652 1.00 0.00 H new ATOM 0 HG23 THR A 68 9.382 16.352 -12.983 1.00 0.00 H new ATOM 1054 N GLY A 69 9.926 17.292 -10.329 1.00 0.00 N ATOM 1055 CA GLY A 69 9.609 16.273 -9.306 1.00 0.00 C ATOM 1056 C GLY A 69 10.042 14.866 -9.723 1.00 0.00 C ATOM 1057 O GLY A 69 10.541 14.086 -8.912 1.00 0.00 O ATOM 0 H GLY A 69 10.921 17.331 -10.548 1.00 0.00 H new ATOM 0 HA2 GLY A 69 10.101 16.538 -8.370 1.00 0.00 H new ATOM 0 HA3 GLY A 69 8.536 16.277 -9.115 1.00 0.00 H new ATOM 1061 N ASP A 70 9.937 14.581 -11.022 1.00 0.00 N ATOM 1062 CA ASP A 70 10.481 13.394 -11.692 1.00 0.00 C ATOM 1063 C ASP A 70 11.998 13.548 -11.926 1.00 0.00 C ATOM 1064 O ASP A 70 12.494 13.572 -13.057 1.00 0.00 O ATOM 1065 CB ASP A 70 9.690 13.090 -12.970 1.00 0.00 C ATOM 1066 CG ASP A 70 8.179 12.969 -12.719 1.00 0.00 C ATOM 1067 OD1 ASP A 70 7.738 11.918 -12.193 1.00 0.00 O ATOM 1068 OD2 ASP A 70 7.424 13.913 -13.058 1.00 0.00 O ATOM 0 H ASP A 70 9.447 15.200 -11.668 1.00 0.00 H new ATOM 0 HA ASP A 70 10.362 12.525 -11.045 1.00 0.00 H new ATOM 0 HB2 ASP A 70 9.871 13.879 -13.700 1.00 0.00 H new ATOM 0 HB3 ASP A 70 10.057 12.161 -13.407 1.00 0.00 H new ATOM 1073 N VAL A 71 12.730 13.720 -10.821 1.00 0.00 N ATOM 1074 CA VAL A 71 14.166 14.021 -10.768 1.00 0.00 C ATOM 1075 C VAL A 71 14.895 13.172 -9.714 1.00 0.00 C ATOM 1076 O VAL A 71 14.289 12.669 -8.765 1.00 0.00 O ATOM 1077 CB VAL A 71 14.423 15.532 -10.567 1.00 0.00 C ATOM 1078 CG1 VAL A 71 13.952 16.348 -11.789 1.00 0.00 C ATOM 1079 CG2 VAL A 71 13.801 16.098 -9.284 1.00 0.00 C ATOM 0 H VAL A 71 12.317 13.650 -9.891 1.00 0.00 H new ATOM 0 HA VAL A 71 14.585 13.748 -11.736 1.00 0.00 H new ATOM 0 HB VAL A 71 15.503 15.630 -10.462 1.00 0.00 H new ATOM 0 HG11 VAL A 71 14.147 17.407 -11.617 1.00 0.00 H new ATOM 0 HG12 VAL A 71 14.493 16.019 -12.676 1.00 0.00 H new ATOM 0 HG13 VAL A 71 12.883 16.195 -11.939 1.00 0.00 H new ATOM 0 HG21 VAL A 71 14.023 17.163 -9.211 1.00 0.00 H new ATOM 0 HG22 VAL A 71 12.721 15.953 -9.309 1.00 0.00 H new ATOM 0 HG23 VAL A 71 14.217 15.581 -8.419 1.00 0.00 H new ATOM 1089 N LEU A 72 16.208 13.009 -9.887 1.00 0.00 N ATOM 1090 CA LEU A 72 17.135 12.419 -8.911 1.00 0.00 C ATOM 1091 C LEU A 72 17.701 13.525 -8.028 1.00 0.00 C ATOM 1092 O LEU A 72 17.973 14.616 -8.528 1.00 0.00 O ATOM 1093 CB LEU A 72 18.314 11.737 -9.628 1.00 0.00 C ATOM 1094 CG LEU A 72 17.912 10.587 -10.552 1.00 0.00 C ATOM 1095 CD1 LEU A 72 19.062 10.236 -11.495 1.00 0.00 C ATOM 1096 CD2 LEU A 72 17.551 9.345 -9.748 1.00 0.00 C ATOM 0 H LEU A 72 16.677 13.296 -10.746 1.00 0.00 H new ATOM 0 HA LEU A 72 16.590 11.684 -8.319 1.00 0.00 H new ATOM 0 HB2 LEU A 72 18.850 12.485 -10.212 1.00 0.00 H new ATOM 0 HB3 LEU A 72 19.009 11.359 -8.879 1.00 0.00 H new ATOM 0 HG LEU A 72 17.045 10.914 -11.126 1.00 0.00 H new ATOM 0 HD11 LEU A 72 18.761 9.416 -12.147 1.00 0.00 H new ATOM 0 HD12 LEU A 72 19.315 11.106 -12.101 1.00 0.00 H new ATOM 0 HD13 LEU A 72 19.932 9.935 -10.911 1.00 0.00 H new ATOM 0 HD21 LEU A 72 17.269 8.541 -10.428 1.00 0.00 H new ATOM 0 HD22 LEU A 72 18.410 9.033 -9.154 1.00 0.00 H new ATOM 0 HD23 LEU A 72 16.715 9.571 -9.086 1.00 0.00 H new ATOM 1108 N GLN A 73 17.934 13.240 -6.748 1.00 0.00 N ATOM 1109 CA GLN A 73 18.418 14.227 -5.771 1.00 0.00 C ATOM 1110 C GLN A 73 19.696 13.757 -5.059 1.00 0.00 C ATOM 1111 O GLN A 73 19.710 12.703 -4.425 1.00 0.00 O ATOM 1112 CB GLN A 73 17.310 14.514 -4.743 1.00 0.00 C ATOM 1113 CG GLN A 73 16.131 15.289 -5.354 1.00 0.00 C ATOM 1114 CD GLN A 73 15.176 15.842 -4.296 1.00 0.00 C ATOM 1115 OE1 GLN A 73 14.940 15.259 -3.245 1.00 0.00 O ATOM 1116 NE2 GLN A 73 14.589 16.995 -4.532 1.00 0.00 N ATOM 0 H GLN A 73 17.792 12.311 -6.352 1.00 0.00 H new ATOM 0 HA GLN A 73 18.669 15.140 -6.311 1.00 0.00 H new ATOM 0 HB2 GLN A 73 16.948 13.572 -4.331 1.00 0.00 H new ATOM 0 HB3 GLN A 73 17.727 15.086 -3.914 1.00 0.00 H new ATOM 0 HG2 GLN A 73 16.516 16.112 -5.956 1.00 0.00 H new ATOM 0 HG3 GLN A 73 15.580 14.632 -6.027 1.00 0.00 H new ATOM 0 HE21 GLN A 73 14.775 17.493 -5.402 1.00 0.00 H new ATOM 0 HE22 GLN A 73 13.948 17.391 -3.845 1.00 0.00 H new ATOM 1125 N GLY A 74 20.771 14.539 -5.157 1.00 0.00 N ATOM 1126 CA GLY A 74 22.016 14.398 -4.388 1.00 0.00 C ATOM 1127 C GLY A 74 22.104 15.511 -3.351 1.00 0.00 C ATOM 1128 O GLY A 74 21.613 16.606 -3.614 1.00 0.00 O ATOM 0 H GLY A 74 20.803 15.327 -5.804 1.00 0.00 H new ATOM 0 HA2 GLY A 74 22.044 13.426 -3.896 1.00 0.00 H new ATOM 0 HA3 GLY A 74 22.876 14.441 -5.057 1.00 0.00 H new ATOM 1132 N ARG A 75 22.718 15.270 -2.191 1.00 0.00 N ATOM 1133 CA ARG A 75 22.673 16.190 -1.036 1.00 0.00 C ATOM 1134 C ARG A 75 23.909 16.075 -0.133 1.00 0.00 C ATOM 1135 O ARG A 75 24.409 14.980 0.116 1.00 0.00 O ATOM 1136 CB ARG A 75 21.377 15.928 -0.239 1.00 0.00 C ATOM 1137 CG ARG A 75 21.133 16.959 0.877 1.00 0.00 C ATOM 1138 CD ARG A 75 19.784 16.719 1.565 1.00 0.00 C ATOM 1139 NE ARG A 75 19.612 17.609 2.733 1.00 0.00 N ATOM 1140 CZ ARG A 75 18.545 17.690 3.511 1.00 0.00 C ATOM 1141 NH1 ARG A 75 17.475 16.977 3.293 1.00 0.00 N ATOM 1142 NH2 ARG A 75 18.533 18.495 4.535 1.00 0.00 N ATOM 0 H ARG A 75 23.266 14.427 -2.018 1.00 0.00 H new ATOM 0 HA ARG A 75 22.677 17.212 -1.416 1.00 0.00 H new ATOM 0 HB2 ARG A 75 20.529 15.936 -0.924 1.00 0.00 H new ATOM 0 HB3 ARG A 75 21.423 14.931 0.200 1.00 0.00 H new ATOM 0 HG2 ARG A 75 21.935 16.900 1.612 1.00 0.00 H new ATOM 0 HG3 ARG A 75 21.157 17.965 0.458 1.00 0.00 H new ATOM 0 HD2 ARG A 75 18.975 16.888 0.854 1.00 0.00 H new ATOM 0 HD3 ARG A 75 19.716 15.679 1.884 1.00 0.00 H new ATOM 0 HE ARG A 75 20.394 18.222 2.962 1.00 0.00 H new ATOM 0 HH11 ARG A 75 17.444 16.333 2.503 1.00 0.00 H new ATOM 0 HH12 ARG A 75 16.669 17.064 3.913 1.00 0.00 H new ATOM 0 HH21 ARG A 75 19.350 19.069 4.742 1.00 0.00 H new ATOM 0 HH22 ARG A 75 17.706 18.551 5.130 1.00 0.00 H new ATOM 1156 N ALA A 76 24.371 17.220 0.369 1.00 0.00 N ATOM 1157 CA ALA A 76 25.565 17.349 1.206 1.00 0.00 C ATOM 1158 C ALA A 76 25.461 18.480 2.239 1.00 0.00 C ATOM 1159 O ALA A 76 24.666 19.408 2.087 1.00 0.00 O ATOM 1160 CB ALA A 76 26.745 17.577 0.257 1.00 0.00 C ATOM 0 H ALA A 76 23.909 18.113 0.199 1.00 0.00 H new ATOM 0 HA ALA A 76 25.693 16.442 1.796 1.00 0.00 H new ATOM 0 HB1 ALA A 76 27.663 17.680 0.836 1.00 0.00 H new ATOM 0 HB2 ALA A 76 26.836 16.728 -0.420 1.00 0.00 H new ATOM 0 HB3 ALA A 76 26.577 18.486 -0.321 1.00 0.00 H new ATOM 1166 N THR A 77 26.321 18.426 3.260 1.00 0.00 N ATOM 1167 CA THR A 77 26.514 19.492 4.258 1.00 0.00 C ATOM 1168 C THR A 77 27.918 20.078 4.085 1.00 0.00 C ATOM 1169 O THR A 77 28.903 19.336 4.047 1.00 0.00 O ATOM 1170 CB THR A 77 26.313 18.954 5.684 1.00 0.00 C ATOM 1171 OG1 THR A 77 25.032 18.371 5.810 1.00 0.00 O ATOM 1172 CG2 THR A 77 26.405 20.041 6.757 1.00 0.00 C ATOM 0 H THR A 77 26.921 17.618 3.423 1.00 0.00 H new ATOM 0 HA THR A 77 25.772 20.275 4.103 1.00 0.00 H new ATOM 0 HB THR A 77 27.113 18.230 5.837 1.00 0.00 H new ATOM 0 HG1 THR A 77 24.916 18.030 6.722 1.00 0.00 H new ATOM 0 HG21 THR A 77 26.254 19.595 7.740 1.00 0.00 H new ATOM 0 HG22 THR A 77 27.389 20.509 6.718 1.00 0.00 H new ATOM 0 HG23 THR A 77 25.638 20.794 6.579 1.00 0.00 H new ATOM 1180 N GLY A 78 28.011 21.400 3.950 1.00 0.00 N ATOM 1181 CA GLY A 78 29.272 22.129 3.797 1.00 0.00 C ATOM 1182 C GLY A 78 29.936 22.517 5.126 1.00 0.00 C ATOM 1183 O GLY A 78 29.379 22.322 6.212 1.00 0.00 O ATOM 0 H GLY A 78 27.193 22.010 3.944 1.00 0.00 H new ATOM 0 HA2 GLY A 78 29.966 21.516 3.221 1.00 0.00 H new ATOM 0 HA3 GLY A 78 29.089 23.033 3.217 1.00 0.00 H new ATOM 1187 N GLU A 79 31.160 23.041 5.045 1.00 0.00 N ATOM 1188 CA GLU A 79 32.021 23.260 6.215 1.00 0.00 C ATOM 1189 C GLU A 79 31.761 24.562 7.006 1.00 0.00 C ATOM 1190 O GLU A 79 32.243 24.660 8.139 1.00 0.00 O ATOM 1191 CB GLU A 79 33.496 23.079 5.824 1.00 0.00 C ATOM 1192 CG GLU A 79 33.830 21.601 5.563 1.00 0.00 C ATOM 1193 CD GLU A 79 35.326 21.395 5.264 1.00 0.00 C ATOM 1194 OE1 GLU A 79 36.164 21.551 6.188 1.00 0.00 O ATOM 1195 OE2 GLU A 79 35.677 21.034 4.114 1.00 0.00 O ATOM 0 H GLU A 79 31.586 23.328 4.164 1.00 0.00 H new ATOM 0 HA GLU A 79 31.746 22.490 6.936 1.00 0.00 H new ATOM 0 HB2 GLU A 79 33.712 23.666 4.931 1.00 0.00 H new ATOM 0 HB3 GLU A 79 34.135 23.463 6.620 1.00 0.00 H new ATOM 0 HG2 GLU A 79 33.548 21.006 6.432 1.00 0.00 H new ATOM 0 HG3 GLU A 79 33.238 21.238 4.723 1.00 0.00 H new ATOM 1202 N GLU A 80 30.974 25.528 6.503 1.00 0.00 N ATOM 1203 CA GLU A 80 30.514 26.671 7.319 1.00 0.00 C ATOM 1204 C GLU A 80 29.140 26.399 7.965 1.00 0.00 C ATOM 1205 O GLU A 80 28.576 27.258 8.650 1.00 0.00 O ATOM 1206 CB GLU A 80 30.452 27.938 6.473 1.00 0.00 C ATOM 1207 CG GLU A 80 31.806 28.356 5.905 1.00 0.00 C ATOM 1208 CD GLU A 80 32.732 28.950 6.987 1.00 0.00 C ATOM 1209 OE1 GLU A 80 32.629 30.169 7.270 1.00 0.00 O ATOM 1210 OE2 GLU A 80 33.568 28.215 7.567 1.00 0.00 O ATOM 0 H GLU A 80 30.642 25.543 5.539 1.00 0.00 H new ATOM 0 HA GLU A 80 31.238 26.810 8.122 1.00 0.00 H new ATOM 0 HB2 GLU A 80 29.754 27.783 5.650 1.00 0.00 H new ATOM 0 HB3 GLU A 80 30.054 28.752 7.080 1.00 0.00 H new ATOM 0 HG2 GLU A 80 32.290 27.492 5.449 1.00 0.00 H new ATOM 0 HG3 GLU A 80 31.655 29.091 5.114 1.00 0.00 H new ATOM 1217 N GLY A 81 28.603 25.194 7.759 1.00 0.00 N ATOM 1218 CA GLY A 81 27.324 24.701 8.285 1.00 0.00 C ATOM 1219 C GLY A 81 26.154 24.802 7.300 1.00 0.00 C ATOM 1220 O GLY A 81 24.993 24.693 7.704 1.00 0.00 O ATOM 0 H GLY A 81 29.076 24.494 7.187 1.00 0.00 H new ATOM 0 HA2 GLY A 81 27.444 23.659 8.582 1.00 0.00 H new ATOM 0 HA3 GLY A 81 27.075 25.262 9.185 1.00 0.00 H new ATOM 1224 N GLU A 82 26.433 25.024 6.016 1.00 0.00 N ATOM 1225 CA GLU A 82 25.460 25.104 4.931 1.00 0.00 C ATOM 1226 C GLU A 82 25.021 23.732 4.388 1.00 0.00 C ATOM 1227 O GLU A 82 25.581 22.692 4.732 1.00 0.00 O ATOM 1228 CB GLU A 82 26.022 26.002 3.817 1.00 0.00 C ATOM 1229 CG GLU A 82 27.086 25.417 2.866 1.00 0.00 C ATOM 1230 CD GLU A 82 28.544 25.445 3.379 1.00 0.00 C ATOM 1231 OE1 GLU A 82 28.778 25.405 4.608 1.00 0.00 O ATOM 1232 OE2 GLU A 82 29.462 25.421 2.528 1.00 0.00 O ATOM 0 H GLU A 82 27.390 25.159 5.690 1.00 0.00 H new ATOM 0 HA GLU A 82 24.550 25.545 5.338 1.00 0.00 H new ATOM 0 HB2 GLU A 82 25.183 26.339 3.208 1.00 0.00 H new ATOM 0 HB3 GLU A 82 26.450 26.887 4.289 1.00 0.00 H new ATOM 0 HG2 GLU A 82 26.819 24.383 2.647 1.00 0.00 H new ATOM 0 HG3 GLU A 82 27.043 25.964 1.924 1.00 0.00 H new ATOM 1239 N THR A 83 24.040 23.729 3.485 1.00 0.00 N ATOM 1240 CA THR A 83 23.520 22.539 2.794 1.00 0.00 C ATOM 1241 C THR A 83 23.519 22.761 1.279 1.00 0.00 C ATOM 1242 O THR A 83 23.158 23.831 0.788 1.00 0.00 O ATOM 1243 CB THR A 83 22.125 22.175 3.340 1.00 0.00 C ATOM 1244 OG1 THR A 83 22.261 21.584 4.614 1.00 0.00 O ATOM 1245 CG2 THR A 83 21.329 21.184 2.484 1.00 0.00 C ATOM 0 H THR A 83 23.565 24.586 3.201 1.00 0.00 H new ATOM 0 HA THR A 83 24.174 21.689 2.990 1.00 0.00 H new ATOM 0 HB THR A 83 21.577 23.117 3.351 1.00 0.00 H new ATOM 0 HG1 THR A 83 21.375 21.353 4.964 1.00 0.00 H new ATOM 0 HG21 THR A 83 20.363 20.993 2.952 1.00 0.00 H new ATOM 0 HG22 THR A 83 21.174 21.604 1.490 1.00 0.00 H new ATOM 0 HG23 THR A 83 21.883 20.249 2.400 1.00 0.00 H new ATOM 1253 N VAL A 84 23.907 21.727 0.532 1.00 0.00 N ATOM 1254 CA VAL A 84 23.945 21.704 -0.939 1.00 0.00 C ATOM 1255 C VAL A 84 23.062 20.576 -1.452 1.00 0.00 C ATOM 1256 O VAL A 84 23.089 19.474 -0.908 1.00 0.00 O ATOM 1257 CB VAL A 84 25.386 21.539 -1.460 1.00 0.00 C ATOM 1258 CG1 VAL A 84 25.463 21.524 -2.993 1.00 0.00 C ATOM 1259 CG2 VAL A 84 26.258 22.693 -0.964 1.00 0.00 C ATOM 0 H VAL A 84 24.216 20.847 0.946 1.00 0.00 H new ATOM 0 HA VAL A 84 23.569 22.657 -1.310 1.00 0.00 H new ATOM 0 HB VAL A 84 25.740 20.580 -1.082 1.00 0.00 H new ATOM 0 HG11 VAL A 84 26.501 21.405 -3.304 1.00 0.00 H new ATOM 0 HG12 VAL A 84 24.871 20.694 -3.379 1.00 0.00 H new ATOM 0 HG13 VAL A 84 25.071 22.462 -3.386 1.00 0.00 H new ATOM 0 HG21 VAL A 84 27.274 22.568 -1.337 1.00 0.00 H new ATOM 0 HG22 VAL A 84 25.852 23.637 -1.326 1.00 0.00 H new ATOM 0 HG23 VAL A 84 26.270 22.698 0.126 1.00 0.00 H new ATOM 1269 N LEU A 85 22.323 20.845 -2.524 1.00 0.00 N ATOM 1270 CA LEU A 85 21.504 19.880 -3.253 1.00 0.00 C ATOM 1271 C LEU A 85 21.867 19.908 -4.751 1.00 0.00 C ATOM 1272 O LEU A 85 22.224 20.951 -5.297 1.00 0.00 O ATOM 1273 CB LEU A 85 20.021 20.195 -2.958 1.00 0.00 C ATOM 1274 CG LEU A 85 18.989 19.250 -3.612 1.00 0.00 C ATOM 1275 CD1 LEU A 85 18.765 17.976 -2.800 1.00 0.00 C ATOM 1276 CD2 LEU A 85 17.635 19.936 -3.736 1.00 0.00 C ATOM 0 H LEU A 85 22.276 21.781 -2.926 1.00 0.00 H new ATOM 0 HA LEU A 85 21.694 18.857 -2.927 1.00 0.00 H new ATOM 0 HB2 LEU A 85 19.872 20.173 -1.878 1.00 0.00 H new ATOM 0 HB3 LEU A 85 19.813 21.213 -3.288 1.00 0.00 H new ATOM 0 HG LEU A 85 19.400 18.995 -4.589 1.00 0.00 H new ATOM 0 HD11 LEU A 85 18.031 17.348 -3.304 1.00 0.00 H new ATOM 0 HD12 LEU A 85 19.706 17.433 -2.708 1.00 0.00 H new ATOM 0 HD13 LEU A 85 18.398 18.237 -1.807 1.00 0.00 H new ATOM 0 HD21 LEU A 85 16.922 19.253 -4.199 1.00 0.00 H new ATOM 0 HD22 LEU A 85 17.277 20.217 -2.745 1.00 0.00 H new ATOM 0 HD23 LEU A 85 17.735 20.829 -4.352 1.00 0.00 H new ATOM 1288 N VAL A 86 21.761 18.769 -5.431 1.00 0.00 N ATOM 1289 CA VAL A 86 21.947 18.621 -6.886 1.00 0.00 C ATOM 1290 C VAL A 86 20.761 17.851 -7.440 1.00 0.00 C ATOM 1291 O VAL A 86 20.356 16.854 -6.843 1.00 0.00 O ATOM 1292 CB VAL A 86 23.244 17.869 -7.245 1.00 0.00 C ATOM 1293 CG1 VAL A 86 23.455 17.855 -8.762 1.00 0.00 C ATOM 1294 CG2 VAL A 86 24.468 18.499 -6.574 1.00 0.00 C ATOM 0 H VAL A 86 21.535 17.886 -4.973 1.00 0.00 H new ATOM 0 HA VAL A 86 22.020 19.618 -7.320 1.00 0.00 H new ATOM 0 HB VAL A 86 23.134 16.848 -6.879 1.00 0.00 H new ATOM 0 HG11 VAL A 86 24.375 17.320 -8.996 1.00 0.00 H new ATOM 0 HG12 VAL A 86 22.613 17.356 -9.242 1.00 0.00 H new ATOM 0 HG13 VAL A 86 23.527 18.879 -9.129 1.00 0.00 H new ATOM 0 HG21 VAL A 86 25.362 17.941 -6.851 1.00 0.00 H new ATOM 0 HG22 VAL A 86 24.570 19.534 -6.901 1.00 0.00 H new ATOM 0 HG23 VAL A 86 24.344 18.471 -5.491 1.00 0.00 H new ATOM 1304 N GLU A 87 20.212 18.294 -8.571 1.00 0.00 N ATOM 1305 CA GLU A 87 19.031 17.677 -9.176 1.00 0.00 C ATOM 1306 C GLU A 87 19.234 17.380 -10.673 1.00 0.00 C ATOM 1307 O GLU A 87 19.704 18.218 -11.444 1.00 0.00 O ATOM 1308 CB GLU A 87 17.762 18.493 -8.860 1.00 0.00 C ATOM 1309 CG GLU A 87 17.595 18.710 -7.343 1.00 0.00 C ATOM 1310 CD GLU A 87 16.195 19.218 -6.959 1.00 0.00 C ATOM 1311 OE1 GLU A 87 15.262 18.385 -6.849 1.00 0.00 O ATOM 1312 OE2 GLU A 87 16.030 20.439 -6.725 1.00 0.00 O ATOM 0 H GLU A 87 20.574 19.091 -9.094 1.00 0.00 H new ATOM 0 HA GLU A 87 18.882 16.699 -8.719 1.00 0.00 H new ATOM 0 HB2 GLU A 87 17.814 19.458 -9.363 1.00 0.00 H new ATOM 0 HB3 GLU A 87 16.887 17.975 -9.253 1.00 0.00 H new ATOM 0 HG2 GLU A 87 17.790 17.772 -6.824 1.00 0.00 H new ATOM 0 HG3 GLU A 87 18.342 19.426 -7.000 1.00 0.00 H new ATOM 1319 N GLU A 88 18.890 16.154 -11.073 1.00 0.00 N ATOM 1320 CA GLU A 88 19.022 15.613 -12.438 1.00 0.00 C ATOM 1321 C GLU A 88 17.684 15.051 -12.956 1.00 0.00 C ATOM 1322 O GLU A 88 16.915 14.526 -12.153 1.00 0.00 O ATOM 1323 CB GLU A 88 20.002 14.433 -12.411 1.00 0.00 C ATOM 1324 CG GLU A 88 21.486 14.759 -12.348 1.00 0.00 C ATOM 1325 CD GLU A 88 22.042 15.005 -13.744 1.00 0.00 C ATOM 1326 OE1 GLU A 88 21.618 15.975 -14.401 1.00 0.00 O ATOM 1327 OE2 GLU A 88 22.925 14.248 -14.204 1.00 0.00 O ATOM 0 H GLU A 88 18.492 15.474 -10.426 1.00 0.00 H new ATOM 0 HA GLU A 88 19.360 16.425 -13.081 1.00 0.00 H new ATOM 0 HB2 GLU A 88 19.757 13.811 -11.550 1.00 0.00 H new ATOM 0 HB3 GLU A 88 19.827 13.829 -13.301 1.00 0.00 H new ATOM 0 HG2 GLU A 88 21.644 15.641 -11.728 1.00 0.00 H new ATOM 0 HG3 GLU A 88 22.024 13.937 -11.876 1.00 0.00 H new ATOM 1334 N PRO A 89 17.411 15.042 -14.274 1.00 0.00 N ATOM 1335 CA PRO A 89 16.254 14.341 -14.837 1.00 0.00 C ATOM 1336 C PRO A 89 16.307 12.822 -14.562 1.00 0.00 C ATOM 1337 O PRO A 89 17.358 12.186 -14.713 1.00 0.00 O ATOM 1338 CB PRO A 89 16.280 14.658 -16.337 1.00 0.00 C ATOM 1339 CG PRO A 89 17.760 14.923 -16.622 1.00 0.00 C ATOM 1340 CD PRO A 89 18.242 15.589 -15.336 1.00 0.00 C ATOM 0 HA PRO A 89 15.323 14.671 -14.376 1.00 0.00 H new ATOM 0 HB2 PRO A 89 15.900 13.826 -16.930 1.00 0.00 H new ATOM 0 HB3 PRO A 89 15.664 15.525 -16.574 1.00 0.00 H new ATOM 0 HG2 PRO A 89 18.303 14.001 -16.827 1.00 0.00 H new ATOM 0 HG3 PRO A 89 17.895 15.572 -17.488 1.00 0.00 H new ATOM 0 HD2 PRO A 89 19.296 15.377 -15.157 1.00 0.00 H new ATOM 0 HD3 PRO A 89 18.140 16.673 -15.394 1.00 0.00 H new ATOM 1348 N ARG A 90 15.163 12.244 -14.165 1.00 0.00 N ATOM 1349 CA ARG A 90 15.009 10.820 -13.803 1.00 0.00 C ATOM 1350 C ARG A 90 14.629 9.929 -14.995 1.00 0.00 C ATOM 1351 O ARG A 90 15.270 8.867 -15.165 1.00 0.00 O ATOM 1352 CB ARG A 90 14.020 10.695 -12.632 1.00 0.00 C ATOM 1353 CG ARG A 90 14.101 9.343 -11.910 1.00 0.00 C ATOM 1354 CD ARG A 90 13.343 9.419 -10.578 1.00 0.00 C ATOM 1355 NE ARG A 90 13.448 8.161 -9.816 1.00 0.00 N ATOM 1356 CZ ARG A 90 13.225 8.001 -8.524 1.00 0.00 C ATOM 1357 NH1 ARG A 90 12.893 8.992 -7.747 1.00 0.00 N ATOM 1358 NH2 ARG A 90 13.333 6.823 -7.981 1.00 0.00 N ATOM 1359 OXT ARG A 90 13.697 10.285 -15.756 1.00 0.00 O ATOM 0 H ARG A 90 14.291 12.767 -14.083 1.00 0.00 H new ATOM 0 HA ARG A 90 15.981 10.446 -13.482 1.00 0.00 H new ATOM 0 HB2 ARG A 90 14.213 11.494 -11.916 1.00 0.00 H new ATOM 0 HB3 ARG A 90 13.006 10.840 -13.005 1.00 0.00 H new ATOM 0 HG2 ARG A 90 13.675 8.559 -12.537 1.00 0.00 H new ATOM 0 HG3 ARG A 90 15.143 9.078 -11.731 1.00 0.00 H new ATOM 0 HD2 ARG A 90 13.739 10.240 -9.981 1.00 0.00 H new ATOM 0 HD3 ARG A 90 12.293 9.642 -10.769 1.00 0.00 H new ATOM 0 HE ARG A 90 13.721 7.330 -10.340 1.00 0.00 H new ATOM 0 HH11 ARG A 90 12.797 9.932 -8.132 1.00 0.00 H new ATOM 0 HH12 ARG A 90 12.729 8.828 -6.754 1.00 0.00 H new ATOM 0 HH21 ARG A 90 13.591 6.019 -8.554 1.00 0.00 H new ATOM 0 HH22 ARG A 90 13.160 6.704 -6.983 1.00 0.00 H new TER 1373 ARG A 90