USER MOD reduce.3.24.130724 H: found=0, std=0, add=569, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 567 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 9 THR OG1 : rot 180:sc= 0.478 USER MOD Set 1.2: A 11 THR OG1 : rot 106:sc= 0.511 USER MOD Set 2.1: A 8 SER OG : rot 130:sc= 0.764 USER MOD Set 2.2: A 13 LYS NZ :NH3+ -134:sc= 0.875 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ -128:sc= 0.0939 (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 27:sc= 0.665 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -0.817 K(o=-0.82,f=-3.9!) USER MOD Single : A 16 TYR OH : rot 152:sc= 0.695 USER MOD Single : A 17 ASN : amide:sc= -0.014 K(o=-0.014,f=-1) USER MOD Single : A 24 ASN : amide:sc= -0.149 K(o=-0.15,f=-2.3!) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -6.65! C(o=-6.6!,f=-17!) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ -132:sc= -0.0609 (180deg=-0.725) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 HIS : no HD1:sc= 0 X(o=0,f=-0.033) USER MOD Single : A 44 LYS NZ :NH3+ -154:sc= -0.0458 (180deg=-1.16!) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot -23:sc= -1.16 USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.0114 USER MOD Single : A 57 LYS NZ :NH3+ -152:sc= 0.00038 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 THR OG1 : rot 58:sc= 0.949 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= -0.791 X(o=-0.79,f=-0.75) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -15.939 0.662 10.065 1.00 0.00 N ATOM 2 CA GLY A 1 -14.926 1.212 10.947 1.00 0.00 C ATOM 3 C GLY A 1 -14.327 2.497 10.410 1.00 0.00 C ATOM 4 O GLY A 1 -14.754 3.004 9.373 1.00 0.00 O ATOM 0 H1 GLY A 1 -16.808 0.479 10.606 1.00 0.00 H new ATOM 0 H2 GLY A 1 -16.142 1.341 9.304 1.00 0.00 H new ATOM 0 H3 GLY A 1 -15.594 -0.228 9.653 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -15.365 1.401 11.927 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -14.134 0.477 11.089 1.00 0.00 H new ATOM 8 N SER A 2 -13.334 3.027 11.119 1.00 0.00 N ATOM 9 CA SER A 2 -12.679 4.264 10.710 1.00 0.00 C ATOM 10 C SER A 2 -11.180 4.202 10.986 1.00 0.00 C ATOM 11 O SER A 2 -10.684 3.235 11.565 1.00 0.00 O ATOM 12 CB SER A 2 -13.295 5.458 11.443 1.00 0.00 C ATOM 13 OG SER A 2 -14.606 5.723 10.975 1.00 0.00 O ATOM 0 H SER A 2 -12.966 2.619 11.978 1.00 0.00 H new ATOM 0 HA SER A 2 -12.828 4.388 9.637 1.00 0.00 H new ATOM 0 HB2 SER A 2 -13.322 5.257 12.514 1.00 0.00 H new ATOM 0 HB3 SER A 2 -12.669 6.339 11.300 1.00 0.00 H new ATOM 0 HG SER A 2 -14.978 6.489 11.460 1.00 0.00 H new ATOM 19 N SER A 3 -10.464 5.240 10.567 1.00 0.00 N ATOM 20 CA SER A 3 -9.020 5.303 10.765 1.00 0.00 C ATOM 21 C SER A 3 -8.643 6.499 11.634 1.00 0.00 C ATOM 22 O SER A 3 -9.358 7.498 11.679 1.00 0.00 O ATOM 23 CB SER A 3 -8.303 5.390 9.417 1.00 0.00 C ATOM 24 OG SER A 3 -6.915 5.144 9.561 1.00 0.00 O ATOM 0 H SER A 3 -10.860 6.049 10.088 1.00 0.00 H new ATOM 0 HA SER A 3 -8.707 4.392 11.276 1.00 0.00 H new ATOM 0 HB2 SER A 3 -8.734 4.666 8.725 1.00 0.00 H new ATOM 0 HB3 SER A 3 -8.457 6.378 8.982 1.00 0.00 H new ATOM 0 HG SER A 3 -6.480 5.204 8.685 1.00 0.00 H new ATOM 30 N GLY A 4 -7.511 6.387 12.324 1.00 0.00 N ATOM 31 CA GLY A 4 -7.057 7.465 13.182 1.00 0.00 C ATOM 32 C GLY A 4 -5.805 8.137 12.656 1.00 0.00 C ATOM 33 O GLY A 4 -5.496 8.046 11.468 1.00 0.00 O ATOM 0 H GLY A 4 -6.901 5.569 12.304 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -7.850 8.206 13.279 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -6.863 7.073 14.181 1.00 0.00 H new ATOM 37 N SER A 5 -5.082 8.815 13.541 1.00 0.00 N ATOM 38 CA SER A 5 -3.859 9.511 13.158 1.00 0.00 C ATOM 39 C SER A 5 -2.636 8.631 13.398 1.00 0.00 C ATOM 40 O SER A 5 -2.261 8.367 14.541 1.00 0.00 O ATOM 41 CB SER A 5 -3.722 10.817 13.941 1.00 0.00 C ATOM 42 OG SER A 5 -3.638 10.571 15.334 1.00 0.00 O ATOM 0 H SER A 5 -5.322 8.897 14.529 1.00 0.00 H new ATOM 0 HA SER A 5 -3.919 9.739 12.094 1.00 0.00 H new ATOM 0 HB2 SER A 5 -2.832 11.352 13.609 1.00 0.00 H new ATOM 0 HB3 SER A 5 -4.577 11.460 13.733 1.00 0.00 H new ATOM 0 HG SER A 5 -3.257 9.681 15.487 1.00 0.00 H new ATOM 48 N SER A 6 -2.017 8.179 12.312 1.00 0.00 N ATOM 49 CA SER A 6 -0.838 7.325 12.403 1.00 0.00 C ATOM 50 C SER A 6 0.323 7.916 11.609 1.00 0.00 C ATOM 51 O SER A 6 0.162 8.903 10.893 1.00 0.00 O ATOM 52 CB SER A 6 -1.159 5.920 11.889 1.00 0.00 C ATOM 53 OG SER A 6 -2.074 5.260 12.747 1.00 0.00 O ATOM 0 H SER A 6 -2.312 8.390 11.359 1.00 0.00 H new ATOM 0 HA SER A 6 -0.545 7.263 13.451 1.00 0.00 H new ATOM 0 HB2 SER A 6 -1.578 5.984 10.885 1.00 0.00 H new ATOM 0 HB3 SER A 6 -0.241 5.338 11.815 1.00 0.00 H new ATOM 0 HG SER A 6 -2.264 4.365 12.396 1.00 0.00 H new ATOM 59 N GLY A 7 1.496 7.303 11.743 1.00 0.00 N ATOM 60 CA GLY A 7 2.668 7.782 11.033 1.00 0.00 C ATOM 61 C GLY A 7 3.204 6.763 10.047 1.00 0.00 C ATOM 62 O GLY A 7 4.377 6.392 10.104 1.00 0.00 O ATOM 0 H GLY A 7 1.655 6.484 12.330 1.00 0.00 H new ATOM 0 HA2 GLY A 7 2.417 8.700 10.502 1.00 0.00 H new ATOM 0 HA3 GLY A 7 3.448 8.032 11.752 1.00 0.00 H new ATOM 66 N SER A 8 2.344 6.308 9.141 1.00 0.00 N ATOM 67 CA SER A 8 2.737 5.322 8.142 1.00 0.00 C ATOM 68 C SER A 8 2.688 5.920 6.739 1.00 0.00 C ATOM 69 O SER A 8 2.054 6.952 6.512 1.00 0.00 O ATOM 70 CB SER A 8 1.825 4.096 8.218 1.00 0.00 C ATOM 71 OG SER A 8 2.096 3.330 9.379 1.00 0.00 O ATOM 0 H SER A 8 1.371 6.607 9.079 1.00 0.00 H new ATOM 0 HA SER A 8 3.762 5.017 8.353 1.00 0.00 H new ATOM 0 HB2 SER A 8 0.782 4.414 8.224 1.00 0.00 H new ATOM 0 HB3 SER A 8 1.965 3.479 7.330 1.00 0.00 H new ATOM 0 HG SER A 8 1.258 3.146 9.853 1.00 0.00 H new ATOM 77 N THR A 9 3.362 5.266 5.799 1.00 0.00 N ATOM 78 CA THR A 9 3.397 5.732 4.418 1.00 0.00 C ATOM 79 C THR A 9 2.239 5.153 3.613 1.00 0.00 C ATOM 80 O THR A 9 1.869 5.690 2.570 1.00 0.00 O ATOM 81 CB THR A 9 4.724 5.356 3.732 1.00 0.00 C ATOM 82 OG1 THR A 9 4.696 5.759 2.358 1.00 0.00 O ATOM 83 CG2 THR A 9 4.973 3.858 3.821 1.00 0.00 C ATOM 0 H THR A 9 3.892 4.411 5.969 1.00 0.00 H new ATOM 0 HA THR A 9 3.307 6.818 4.448 1.00 0.00 H new ATOM 0 HB THR A 9 5.533 5.874 4.246 1.00 0.00 H new ATOM 0 HG1 THR A 9 5.543 5.518 1.929 1.00 0.00 H new ATOM 0 HG21 THR A 9 5.916 3.616 3.330 1.00 0.00 H new ATOM 0 HG22 THR A 9 5.022 3.559 4.868 1.00 0.00 H new ATOM 0 HG23 THR A 9 4.160 3.324 3.329 1.00 0.00 H new ATOM 91 N GLN A 10 1.672 4.056 4.105 1.00 0.00 N ATOM 92 CA GLN A 10 0.556 3.405 3.430 1.00 0.00 C ATOM 93 C GLN A 10 0.916 3.066 1.987 1.00 0.00 C ATOM 94 O GLN A 10 0.130 3.302 1.068 1.00 0.00 O ATOM 95 CB GLN A 10 -0.681 4.305 3.462 1.00 0.00 C ATOM 96 CG GLN A 10 -1.977 3.567 3.166 1.00 0.00 C ATOM 97 CD GLN A 10 -2.379 2.622 4.281 1.00 0.00 C ATOM 98 OE1 GLN A 10 -1.792 1.553 4.446 1.00 0.00 O ATOM 99 NE2 GLN A 10 -3.384 3.014 5.056 1.00 0.00 N ATOM 0 H GLN A 10 1.967 3.600 4.968 1.00 0.00 H new ATOM 0 HA GLN A 10 0.335 2.477 3.958 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -0.755 4.773 4.444 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -0.555 5.108 2.735 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -2.775 4.292 3.004 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -1.866 3.003 2.240 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -3.842 3.909 4.883 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -3.697 2.420 5.824 1.00 0.00 H new ATOM 108 N THR A 11 2.108 2.512 1.794 1.00 0.00 N ATOM 109 CA THR A 11 2.573 2.142 0.463 1.00 0.00 C ATOM 110 C THR A 11 3.074 0.703 0.436 1.00 0.00 C ATOM 111 O THR A 11 2.607 -0.113 -0.359 1.00 0.00 O ATOM 112 CB THR A 11 3.700 3.075 -0.018 1.00 0.00 C ATOM 113 OG1 THR A 11 3.283 4.441 0.084 1.00 0.00 O ATOM 114 CG2 THR A 11 4.084 2.763 -1.457 1.00 0.00 C ATOM 0 H THR A 11 2.770 2.309 2.543 1.00 0.00 H new ATOM 0 HA THR A 11 1.720 2.239 -0.208 1.00 0.00 H new ATOM 0 HB THR A 11 4.571 2.913 0.617 1.00 0.00 H new ATOM 0 HG1 THR A 11 3.736 4.865 0.842 1.00 0.00 H new ATOM 0 HG21 THR A 11 4.882 3.435 -1.775 1.00 0.00 H new ATOM 0 HG22 THR A 11 4.429 1.731 -1.526 1.00 0.00 H new ATOM 0 HG23 THR A 11 3.216 2.899 -2.103 1.00 0.00 H new ATOM 122 N ASP A 12 4.027 0.396 1.310 1.00 0.00 N ATOM 123 CA ASP A 12 4.590 -0.946 1.388 1.00 0.00 C ATOM 124 C ASP A 12 3.756 -1.833 2.307 1.00 0.00 C ATOM 125 O ASP A 12 3.492 -2.995 1.995 1.00 0.00 O ATOM 126 CB ASP A 12 6.035 -0.888 1.888 1.00 0.00 C ATOM 127 CG ASP A 12 6.235 0.168 2.957 1.00 0.00 C ATOM 128 OD1 ASP A 12 5.705 -0.010 4.073 1.00 0.00 O ATOM 129 OD2 ASP A 12 6.922 1.173 2.677 1.00 0.00 O ATOM 0 H ASP A 12 4.425 1.059 1.974 1.00 0.00 H new ATOM 0 HA ASP A 12 4.577 -1.377 0.387 1.00 0.00 H new ATOM 0 HB2 ASP A 12 6.318 -1.862 2.286 1.00 0.00 H new ATOM 0 HB3 ASP A 12 6.699 -0.682 1.049 1.00 0.00 H new ATOM 134 N LYS A 13 3.345 -1.279 3.442 1.00 0.00 N ATOM 135 CA LYS A 13 2.541 -2.018 4.408 1.00 0.00 C ATOM 136 C LYS A 13 1.170 -2.355 3.830 1.00 0.00 C ATOM 137 O LYS A 13 0.679 -3.473 3.984 1.00 0.00 O ATOM 138 CB LYS A 13 2.378 -1.207 5.695 1.00 0.00 C ATOM 139 CG LYS A 13 2.209 -2.064 6.937 1.00 0.00 C ATOM 140 CD LYS A 13 2.453 -1.262 8.205 1.00 0.00 C ATOM 141 CE LYS A 13 1.315 -0.291 8.478 1.00 0.00 C ATOM 142 NZ LYS A 13 1.558 0.518 9.705 1.00 0.00 N ATOM 0 H LYS A 13 3.556 -0.319 3.716 1.00 0.00 H new ATOM 0 HA LYS A 13 3.059 -2.949 4.637 1.00 0.00 H new ATOM 0 HB2 LYS A 13 3.250 -0.565 5.823 1.00 0.00 H new ATOM 0 HB3 LYS A 13 1.512 -0.553 5.595 1.00 0.00 H new ATOM 0 HG2 LYS A 13 1.203 -2.482 6.958 1.00 0.00 H new ATOM 0 HG3 LYS A 13 2.902 -2.904 6.898 1.00 0.00 H new ATOM 0 HD2 LYS A 13 2.564 -1.941 9.050 1.00 0.00 H new ATOM 0 HD3 LYS A 13 3.389 -0.711 8.114 1.00 0.00 H new ATOM 0 HE2 LYS A 13 1.192 0.374 7.623 1.00 0.00 H new ATOM 0 HE3 LYS A 13 0.383 -0.845 8.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 0.695 0.536 10.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 2.335 0.094 10.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 1.814 1.489 9.435 1.00 0.00 H new ATOM 156 N ALA A 14 0.559 -1.382 3.163 1.00 0.00 N ATOM 157 CA ALA A 14 -0.753 -1.577 2.558 1.00 0.00 C ATOM 158 C ALA A 14 -0.770 -2.816 1.669 1.00 0.00 C ATOM 159 O ALA A 14 -1.545 -3.746 1.896 1.00 0.00 O ATOM 160 CB ALA A 14 -1.155 -0.346 1.760 1.00 0.00 C ATOM 0 H ALA A 14 0.951 -0.450 3.028 1.00 0.00 H new ATOM 0 HA ALA A 14 -1.476 -1.728 3.360 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -2.137 -0.506 1.314 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -1.194 0.520 2.421 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -0.423 -0.168 0.972 1.00 0.00 H new ATOM 166 N LEU A 15 0.089 -2.821 0.655 1.00 0.00 N ATOM 167 CA LEU A 15 0.174 -3.946 -0.270 1.00 0.00 C ATOM 168 C LEU A 15 0.520 -5.235 0.469 1.00 0.00 C ATOM 169 O LEU A 15 -0.095 -6.277 0.243 1.00 0.00 O ATOM 170 CB LEU A 15 1.221 -3.667 -1.349 1.00 0.00 C ATOM 171 CG LEU A 15 0.730 -2.901 -2.578 1.00 0.00 C ATOM 172 CD1 LEU A 15 0.271 -1.504 -2.189 1.00 0.00 C ATOM 173 CD2 LEU A 15 1.823 -2.830 -3.634 1.00 0.00 C ATOM 0 H LEU A 15 0.736 -2.059 0.453 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.801 -4.070 -0.742 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.038 -3.104 -0.897 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.635 -4.619 -1.681 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.121 -3.436 -2.999 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.075 -0.974 -3.077 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.544 -1.576 -1.469 1.00 0.00 H new ATOM 0 HD13 LEU A 15 1.103 -0.959 -1.742 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.456 -2.281 -4.501 1.00 0.00 H new ATOM 0 HD22 LEU A 15 2.693 -2.319 -3.223 1.00 0.00 H new ATOM 0 HD23 LEU A 15 2.104 -3.839 -3.935 1.00 0.00 H new ATOM 185 N TYR A 16 1.507 -5.155 1.355 1.00 0.00 N ATOM 186 CA TYR A 16 1.935 -6.315 2.128 1.00 0.00 C ATOM 187 C TYR A 16 0.742 -7.007 2.779 1.00 0.00 C ATOM 188 O TYR A 16 0.481 -8.183 2.532 1.00 0.00 O ATOM 189 CB TYR A 16 2.943 -5.896 3.199 1.00 0.00 C ATOM 190 CG TYR A 16 3.818 -7.029 3.684 1.00 0.00 C ATOM 191 CD1 TYR A 16 4.794 -7.580 2.862 1.00 0.00 C ATOM 192 CD2 TYR A 16 3.669 -7.551 4.963 1.00 0.00 C ATOM 193 CE1 TYR A 16 5.596 -8.616 3.301 1.00 0.00 C ATOM 194 CE2 TYR A 16 4.466 -8.586 5.410 1.00 0.00 C ATOM 195 CZ TYR A 16 5.428 -9.116 4.575 1.00 0.00 C ATOM 196 OH TYR A 16 6.224 -10.148 5.016 1.00 0.00 O ATOM 0 H TYR A 16 2.025 -4.300 1.555 1.00 0.00 H new ATOM 0 HA TYR A 16 2.411 -7.019 1.445 1.00 0.00 H new ATOM 0 HB2 TYR A 16 3.577 -5.104 2.799 1.00 0.00 H new ATOM 0 HB3 TYR A 16 2.404 -5.475 4.048 1.00 0.00 H new ATOM 0 HD1 TYR A 16 4.928 -7.192 1.863 1.00 0.00 H new ATOM 0 HD2 TYR A 16 2.916 -7.140 5.619 1.00 0.00 H new ATOM 0 HE1 TYR A 16 6.350 -9.032 2.650 1.00 0.00 H new ATOM 0 HE2 TYR A 16 4.337 -8.979 6.408 1.00 0.00 H new ATOM 0 HH TYR A 16 6.319 -10.095 5.990 1.00 0.00 H new ATOM 206 N ASN A 17 0.020 -6.266 3.614 1.00 0.00 N ATOM 207 CA ASN A 17 -1.147 -6.806 4.302 1.00 0.00 C ATOM 208 C ASN A 17 -2.025 -7.602 3.341 1.00 0.00 C ATOM 209 O ASN A 17 -2.509 -8.683 3.677 1.00 0.00 O ATOM 210 CB ASN A 17 -1.960 -5.676 4.936 1.00 0.00 C ATOM 211 CG ASN A 17 -1.474 -5.325 6.329 1.00 0.00 C ATOM 212 OD1 ASN A 17 -0.378 -5.715 6.732 1.00 0.00 O ATOM 213 ND2 ASN A 17 -2.290 -4.586 7.071 1.00 0.00 N ATOM 0 H ASN A 17 0.223 -5.290 3.830 1.00 0.00 H new ATOM 0 HA ASN A 17 -0.797 -7.477 5.087 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -1.904 -4.792 4.301 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -3.009 -5.969 4.983 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -2.018 -4.319 8.017 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -3.189 -4.285 6.695 1.00 0.00 H new ATOM 220 N ARG A 18 -2.225 -7.060 2.144 1.00 0.00 N ATOM 221 CA ARG A 18 -3.045 -7.719 1.134 1.00 0.00 C ATOM 222 C ARG A 18 -2.332 -8.945 0.570 1.00 0.00 C ATOM 223 O ARG A 18 -2.954 -9.978 0.321 1.00 0.00 O ATOM 224 CB ARG A 18 -3.379 -6.745 0.003 1.00 0.00 C ATOM 225 CG ARG A 18 -4.490 -5.767 0.349 1.00 0.00 C ATOM 226 CD ARG A 18 -4.975 -5.016 -0.881 1.00 0.00 C ATOM 227 NE ARG A 18 -5.474 -5.921 -1.913 1.00 0.00 N ATOM 228 CZ ARG A 18 -5.912 -5.512 -3.099 1.00 0.00 C ATOM 229 NH1 ARG A 18 -5.910 -4.221 -3.401 1.00 0.00 N ATOM 230 NH2 ARG A 18 -6.351 -6.396 -3.985 1.00 0.00 N ATOM 0 H ARG A 18 -1.831 -6.167 1.850 1.00 0.00 H new ATOM 0 HA ARG A 18 -3.970 -8.045 1.609 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -2.482 -6.184 -0.259 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -3.669 -7.313 -0.881 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -5.323 -6.306 0.799 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -4.131 -5.056 1.093 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -5.765 -4.322 -0.594 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -4.158 -4.419 -1.287 1.00 0.00 H new ATOM 0 HE ARG A 18 -5.487 -6.921 -1.713 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -5.572 -3.539 -2.722 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -6.247 -3.910 -4.312 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -6.352 -7.390 -3.756 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -6.687 -6.082 -4.895 1.00 0.00 H new ATOM 244 N LEU A 19 -1.024 -8.823 0.372 1.00 0.00 N ATOM 245 CA LEU A 19 -0.226 -9.921 -0.163 1.00 0.00 C ATOM 246 C LEU A 19 -0.252 -11.121 0.777 1.00 0.00 C ATOM 247 O LEU A 19 -0.412 -12.261 0.342 1.00 0.00 O ATOM 248 CB LEU A 19 1.217 -9.466 -0.389 1.00 0.00 C ATOM 249 CG LEU A 19 1.429 -8.432 -1.495 1.00 0.00 C ATOM 250 CD1 LEU A 19 2.810 -7.804 -1.381 1.00 0.00 C ATOM 251 CD2 LEU A 19 1.242 -9.069 -2.864 1.00 0.00 C ATOM 0 H LEU A 19 -0.494 -7.975 0.574 1.00 0.00 H new ATOM 0 HA LEU A 19 -0.659 -10.221 -1.117 1.00 0.00 H new ATOM 0 HB2 LEU A 19 1.597 -9.052 0.545 1.00 0.00 H new ATOM 0 HB3 LEU A 19 1.822 -10.343 -0.619 1.00 0.00 H new ATOM 0 HG LEU A 19 0.684 -7.645 -1.378 1.00 0.00 H new ATOM 0 HD11 LEU A 19 2.943 -7.071 -2.176 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.907 -7.312 -0.413 1.00 0.00 H new ATOM 0 HD13 LEU A 19 3.571 -8.579 -1.471 1.00 0.00 H new ATOM 0 HD21 LEU A 19 1.397 -8.318 -3.639 1.00 0.00 H new ATOM 0 HD22 LEU A 19 1.964 -9.876 -2.991 1.00 0.00 H new ATOM 0 HD23 LEU A 19 0.232 -9.470 -2.944 1.00 0.00 H new ATOM 263 N VAL A 20 -0.095 -10.857 2.071 1.00 0.00 N ATOM 264 CA VAL A 20 -0.103 -11.915 3.074 1.00 0.00 C ATOM 265 C VAL A 20 -1.187 -11.674 4.118 1.00 0.00 C ATOM 266 O VAL A 20 -0.929 -11.176 5.214 1.00 0.00 O ATOM 267 CB VAL A 20 1.260 -12.027 3.782 1.00 0.00 C ATOM 268 CG1 VAL A 20 1.237 -13.147 4.811 1.00 0.00 C ATOM 269 CG2 VAL A 20 2.371 -12.248 2.767 1.00 0.00 C ATOM 0 H VAL A 20 0.039 -9.919 2.449 1.00 0.00 H new ATOM 0 HA VAL A 20 -0.309 -12.848 2.549 1.00 0.00 H new ATOM 0 HB VAL A 20 1.457 -11.090 4.304 1.00 0.00 H new ATOM 0 HG11 VAL A 20 2.209 -13.211 5.301 1.00 0.00 H new ATOM 0 HG12 VAL A 20 0.468 -12.941 5.556 1.00 0.00 H new ATOM 0 HG13 VAL A 20 1.018 -14.092 4.315 1.00 0.00 H new ATOM 0 HG21 VAL A 20 3.327 -12.325 3.285 1.00 0.00 H new ATOM 0 HG22 VAL A 20 2.182 -13.169 2.216 1.00 0.00 H new ATOM 0 HG23 VAL A 20 2.401 -11.409 2.072 1.00 0.00 H new ATOM 279 N PRO A 21 -2.432 -12.034 3.772 1.00 0.00 N ATOM 280 CA PRO A 21 -3.582 -11.868 4.666 1.00 0.00 C ATOM 281 C PRO A 21 -3.532 -12.818 5.858 1.00 0.00 C ATOM 282 O PRO A 21 -2.955 -13.903 5.776 1.00 0.00 O ATOM 283 CB PRO A 21 -4.779 -12.196 3.770 1.00 0.00 C ATOM 284 CG PRO A 21 -4.227 -13.089 2.714 1.00 0.00 C ATOM 285 CD PRO A 21 -2.813 -12.633 2.482 1.00 0.00 C ATOM 0 HA PRO A 21 -3.619 -10.869 5.101 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -5.571 -12.690 4.332 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -5.210 -11.293 3.339 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -4.254 -14.131 3.032 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -4.814 -13.020 1.798 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -2.161 -13.465 2.217 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -2.752 -11.909 1.669 1.00 0.00 H new ATOM 293 N LEU A 22 -4.140 -12.404 6.964 1.00 0.00 N ATOM 294 CA LEU A 22 -4.165 -13.220 8.174 1.00 0.00 C ATOM 295 C LEU A 22 -5.347 -14.183 8.156 1.00 0.00 C ATOM 296 O LEU A 22 -6.197 -14.157 9.046 1.00 0.00 O ATOM 297 CB LEU A 22 -4.239 -12.327 9.413 1.00 0.00 C ATOM 298 CG LEU A 22 -4.189 -13.045 10.762 1.00 0.00 C ATOM 299 CD1 LEU A 22 -3.196 -14.195 10.718 1.00 0.00 C ATOM 300 CD2 LEU A 22 -3.829 -12.069 11.873 1.00 0.00 C ATOM 0 H LEU A 22 -4.622 -11.509 7.049 1.00 0.00 H new ATOM 0 HA LEU A 22 -3.245 -13.803 8.209 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.415 -11.615 9.372 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -5.162 -11.750 9.365 1.00 0.00 H new ATOM 0 HG LEU A 22 -5.178 -13.454 10.971 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -3.174 -14.694 11.687 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.498 -14.907 9.950 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.203 -13.810 10.486 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -3.798 -12.598 12.826 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -2.852 -11.630 11.670 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -4.579 -11.279 11.920 1.00 0.00 H new ATOM 312 N VAL A 23 -5.394 -15.036 7.137 1.00 0.00 N ATOM 313 CA VAL A 23 -6.470 -16.011 7.005 1.00 0.00 C ATOM 314 C VAL A 23 -6.407 -17.053 8.116 1.00 0.00 C ATOM 315 O VAL A 23 -5.327 -17.417 8.578 1.00 0.00 O ATOM 316 CB VAL A 23 -6.415 -16.726 5.641 1.00 0.00 C ATOM 317 CG1 VAL A 23 -6.528 -15.720 4.506 1.00 0.00 C ATOM 318 CG2 VAL A 23 -5.136 -17.540 5.518 1.00 0.00 C ATOM 0 H VAL A 23 -4.699 -15.071 6.391 1.00 0.00 H new ATOM 0 HA VAL A 23 -7.408 -15.460 7.081 1.00 0.00 H new ATOM 0 HB VAL A 23 -7.261 -17.410 5.574 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -6.487 -16.243 3.551 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -7.474 -15.185 4.587 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -5.703 -15.010 4.566 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -5.114 -18.038 4.549 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -4.274 -16.879 5.606 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -5.103 -18.287 6.311 1.00 0.00 H new ATOM 328 N ASN A 24 -7.573 -17.530 8.539 1.00 0.00 N ATOM 329 CA ASN A 24 -7.651 -18.531 9.596 1.00 0.00 C ATOM 330 C ASN A 24 -6.844 -18.098 10.816 1.00 0.00 C ATOM 331 O ASN A 24 -6.328 -18.930 11.561 1.00 0.00 O ATOM 332 CB ASN A 24 -7.142 -19.881 9.088 1.00 0.00 C ATOM 333 CG ASN A 24 -8.229 -20.690 8.407 1.00 0.00 C ATOM 334 OD1 ASN A 24 -9.410 -20.354 8.487 1.00 0.00 O ATOM 335 ND2 ASN A 24 -7.833 -21.764 7.734 1.00 0.00 N ATOM 0 H ASN A 24 -8.477 -17.239 8.166 1.00 0.00 H new ATOM 0 HA ASN A 24 -8.696 -18.631 9.890 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -6.323 -19.717 8.388 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -6.738 -20.452 9.924 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -8.519 -22.348 7.256 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -6.843 -22.005 7.695 1.00 0.00 H new ATOM 342 N GLY A 25 -6.740 -16.787 11.015 1.00 0.00 N ATOM 343 CA GLY A 25 -5.995 -16.265 12.146 1.00 0.00 C ATOM 344 C GLY A 25 -4.534 -16.667 12.113 1.00 0.00 C ATOM 345 O GLY A 25 -3.910 -16.853 13.158 1.00 0.00 O ATOM 0 H GLY A 25 -7.158 -16.078 10.413 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -6.069 -15.178 12.155 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -6.446 -16.623 13.071 1.00 0.00 H new ATOM 349 N VAL A 26 -3.986 -16.804 10.910 1.00 0.00 N ATOM 350 CA VAL A 26 -2.589 -17.187 10.745 1.00 0.00 C ATOM 351 C VAL A 26 -2.061 -16.764 9.379 1.00 0.00 C ATOM 352 O VAL A 26 -2.495 -17.277 8.348 1.00 0.00 O ATOM 353 CB VAL A 26 -2.401 -18.707 10.907 1.00 0.00 C ATOM 354 CG1 VAL A 26 -3.397 -19.464 10.042 1.00 0.00 C ATOM 355 CG2 VAL A 26 -0.974 -19.107 10.565 1.00 0.00 C ATOM 0 H VAL A 26 -4.489 -16.655 10.035 1.00 0.00 H new ATOM 0 HA VAL A 26 -2.026 -16.673 11.524 1.00 0.00 H new ATOM 0 HB VAL A 26 -2.588 -18.969 11.948 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.249 -20.536 10.170 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -4.412 -19.200 10.340 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.245 -19.199 8.996 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -0.859 -20.184 10.685 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -0.756 -18.832 9.533 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -0.282 -18.592 11.232 1.00 0.00 H new ATOM 365 N ARG A 27 -1.120 -15.825 9.380 1.00 0.00 N ATOM 366 CA ARG A 27 -0.532 -15.332 8.140 1.00 0.00 C ATOM 367 C ARG A 27 0.525 -16.300 7.617 1.00 0.00 C ATOM 368 O ARG A 27 1.239 -16.933 8.394 1.00 0.00 O ATOM 369 CB ARG A 27 0.090 -13.951 8.360 1.00 0.00 C ATOM 370 CG ARG A 27 -0.879 -12.803 8.128 1.00 0.00 C ATOM 371 CD ARG A 27 -0.157 -11.466 8.081 1.00 0.00 C ATOM 372 NE ARG A 27 -0.036 -10.862 9.405 1.00 0.00 N ATOM 373 CZ ARG A 27 0.421 -9.633 9.613 1.00 0.00 C ATOM 374 NH1 ARG A 27 0.798 -8.879 8.589 1.00 0.00 N ATOM 375 NH2 ARG A 27 0.502 -9.154 10.848 1.00 0.00 N ATOM 0 H ARG A 27 -0.749 -15.391 10.225 1.00 0.00 H new ATOM 0 HA ARG A 27 -1.326 -15.252 7.397 1.00 0.00 H new ATOM 0 HB2 ARG A 27 0.473 -13.892 9.379 1.00 0.00 H new ATOM 0 HB3 ARG A 27 0.944 -13.836 7.692 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -1.415 -12.961 7.192 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -1.624 -12.788 8.924 1.00 0.00 H new ATOM 0 HD2 ARG A 27 0.836 -11.605 7.654 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -0.695 -10.786 7.420 1.00 0.00 H new ATOM 0 HE ARG A 27 -0.318 -11.415 10.215 1.00 0.00 H new ATOM 0 HH11 ARG A 27 0.737 -9.243 7.638 1.00 0.00 H new ATOM 0 HH12 ARG A 27 1.149 -7.935 8.752 1.00 0.00 H new ATOM 0 HH21 ARG A 27 0.213 -9.730 11.638 1.00 0.00 H new ATOM 0 HH22 ARG A 27 0.853 -8.210 11.007 1.00 0.00 H new ATOM 389 N GLU A 28 0.617 -16.409 6.295 1.00 0.00 N ATOM 390 CA GLU A 28 1.586 -17.301 5.669 1.00 0.00 C ATOM 391 C GLU A 28 1.624 -17.089 4.158 1.00 0.00 C ATOM 392 O GLU A 28 0.590 -16.877 3.524 1.00 0.00 O ATOM 393 CB GLU A 28 1.246 -18.760 5.982 1.00 0.00 C ATOM 394 CG GLU A 28 -0.136 -19.177 5.509 1.00 0.00 C ATOM 395 CD GLU A 28 -0.339 -20.679 5.552 1.00 0.00 C ATOM 396 OE1 GLU A 28 0.444 -21.402 4.899 1.00 0.00 O ATOM 397 OE2 GLU A 28 -1.279 -21.133 6.237 1.00 0.00 O ATOM 0 H GLU A 28 0.033 -15.891 5.638 1.00 0.00 H new ATOM 0 HA GLU A 28 2.570 -17.069 6.076 1.00 0.00 H new ATOM 0 HB2 GLU A 28 1.990 -19.406 5.516 1.00 0.00 H new ATOM 0 HB3 GLU A 28 1.316 -18.918 7.058 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -0.890 -18.694 6.131 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -0.289 -18.822 4.490 1.00 0.00 H new ATOM 404 N PHE A 29 2.823 -17.147 3.589 1.00 0.00 N ATOM 405 CA PHE A 29 2.997 -16.960 2.153 1.00 0.00 C ATOM 406 C PHE A 29 2.325 -18.086 1.372 1.00 0.00 C ATOM 407 O PHE A 29 2.101 -19.174 1.901 1.00 0.00 O ATOM 408 CB PHE A 29 4.485 -16.898 1.802 1.00 0.00 C ATOM 409 CG PHE A 29 5.135 -15.596 2.175 1.00 0.00 C ATOM 410 CD1 PHE A 29 4.576 -14.390 1.785 1.00 0.00 C ATOM 411 CD2 PHE A 29 6.307 -15.579 2.915 1.00 0.00 C ATOM 412 CE1 PHE A 29 5.171 -13.191 2.127 1.00 0.00 C ATOM 413 CE2 PHE A 29 6.907 -14.382 3.259 1.00 0.00 C ATOM 414 CZ PHE A 29 6.339 -13.187 2.864 1.00 0.00 C ATOM 0 H PHE A 29 3.688 -17.322 4.100 1.00 0.00 H new ATOM 0 HA PHE A 29 2.526 -16.017 1.875 1.00 0.00 H new ATOM 0 HB2 PHE A 29 5.004 -17.712 2.308 1.00 0.00 H new ATOM 0 HB3 PHE A 29 4.605 -17.061 0.731 1.00 0.00 H new ATOM 0 HD1 PHE A 29 3.664 -14.387 1.207 1.00 0.00 H new ATOM 0 HD2 PHE A 29 6.756 -16.511 3.226 1.00 0.00 H new ATOM 0 HE1 PHE A 29 4.723 -12.258 1.818 1.00 0.00 H new ATOM 0 HE2 PHE A 29 7.820 -14.382 3.836 1.00 0.00 H new ATOM 0 HZ PHE A 29 6.807 -12.251 3.131 1.00 0.00 H new ATOM 424 N SER A 30 2.007 -17.815 0.110 1.00 0.00 N ATOM 425 CA SER A 30 1.357 -18.802 -0.743 1.00 0.00 C ATOM 426 C SER A 30 2.363 -19.450 -1.689 1.00 0.00 C ATOM 427 O SER A 30 3.390 -18.857 -2.020 1.00 0.00 O ATOM 428 CB SER A 30 0.231 -18.150 -1.547 1.00 0.00 C ATOM 429 OG SER A 30 -0.563 -19.127 -2.198 1.00 0.00 O ATOM 0 H SER A 30 2.189 -16.920 -0.344 1.00 0.00 H new ATOM 0 HA SER A 30 0.935 -19.577 -0.103 1.00 0.00 H new ATOM 0 HB2 SER A 30 -0.394 -17.552 -0.884 1.00 0.00 H new ATOM 0 HB3 SER A 30 0.654 -17.470 -2.286 1.00 0.00 H new ATOM 0 HG SER A 30 -1.277 -18.685 -2.704 1.00 0.00 H new ATOM 435 N GLU A 31 2.061 -20.670 -2.120 1.00 0.00 N ATOM 436 CA GLU A 31 2.940 -21.399 -3.027 1.00 0.00 C ATOM 437 C GLU A 31 3.556 -20.459 -4.059 1.00 0.00 C ATOM 438 O GLU A 31 4.732 -20.584 -4.403 1.00 0.00 O ATOM 439 CB GLU A 31 2.167 -22.515 -3.734 1.00 0.00 C ATOM 440 CG GLU A 31 1.067 -22.007 -4.651 1.00 0.00 C ATOM 441 CD GLU A 31 -0.011 -23.044 -4.899 1.00 0.00 C ATOM 442 OE1 GLU A 31 0.273 -24.039 -5.599 1.00 0.00 O ATOM 443 OE2 GLU A 31 -1.138 -22.861 -4.394 1.00 0.00 O ATOM 0 H GLU A 31 1.215 -21.175 -1.856 1.00 0.00 H new ATOM 0 HA GLU A 31 3.744 -21.841 -2.438 1.00 0.00 H new ATOM 0 HB2 GLU A 31 2.865 -23.116 -4.316 1.00 0.00 H new ATOM 0 HB3 GLU A 31 1.728 -23.173 -2.984 1.00 0.00 H new ATOM 0 HG2 GLU A 31 0.616 -21.117 -4.212 1.00 0.00 H new ATOM 0 HG3 GLU A 31 1.503 -21.707 -5.604 1.00 0.00 H new ATOM 450 N ILE A 32 2.755 -19.520 -4.549 1.00 0.00 N ATOM 451 CA ILE A 32 3.221 -18.559 -5.541 1.00 0.00 C ATOM 452 C ILE A 32 4.189 -17.556 -4.922 1.00 0.00 C ATOM 453 O ILE A 32 5.313 -17.391 -5.395 1.00 0.00 O ATOM 454 CB ILE A 32 2.047 -17.795 -6.180 1.00 0.00 C ATOM 455 CG1 ILE A 32 1.060 -18.775 -6.819 1.00 0.00 C ATOM 456 CG2 ILE A 32 2.560 -16.803 -7.213 1.00 0.00 C ATOM 457 CD1 ILE A 32 -0.336 -18.213 -6.970 1.00 0.00 C ATOM 0 H ILE A 32 1.779 -19.404 -4.275 1.00 0.00 H new ATOM 0 HA ILE A 32 3.736 -19.129 -6.314 1.00 0.00 H new ATOM 0 HB ILE A 32 1.526 -17.240 -5.400 1.00 0.00 H new ATOM 0 HG12 ILE A 32 1.434 -19.067 -7.800 1.00 0.00 H new ATOM 0 HG13 ILE A 32 1.015 -19.680 -6.213 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.718 -16.271 -7.656 1.00 0.00 H new ATOM 0 HG22 ILE A 32 3.228 -16.089 -6.731 1.00 0.00 H new ATOM 0 HG23 ILE A 32 3.102 -17.338 -7.993 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.982 -18.961 -7.430 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -0.729 -17.947 -5.989 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -0.304 -17.325 -7.601 1.00 0.00 H new ATOM 469 N GLN A 33 3.745 -16.891 -3.860 1.00 0.00 N ATOM 470 CA GLN A 33 4.572 -15.905 -3.176 1.00 0.00 C ATOM 471 C GLN A 33 5.949 -16.479 -2.855 1.00 0.00 C ATOM 472 O GLN A 33 6.969 -15.817 -3.050 1.00 0.00 O ATOM 473 CB GLN A 33 3.888 -15.439 -1.890 1.00 0.00 C ATOM 474 CG GLN A 33 2.533 -14.791 -2.122 1.00 0.00 C ATOM 475 CD GLN A 33 1.658 -14.809 -0.884 1.00 0.00 C ATOM 476 OE1 GLN A 33 0.904 -15.755 -0.656 1.00 0.00 O ATOM 477 NE2 GLN A 33 1.753 -13.759 -0.076 1.00 0.00 N ATOM 0 H GLN A 33 2.817 -17.017 -3.455 1.00 0.00 H new ATOM 0 HA GLN A 33 4.700 -15.051 -3.841 1.00 0.00 H new ATOM 0 HB2 GLN A 33 3.764 -16.293 -1.224 1.00 0.00 H new ATOM 0 HB3 GLN A 33 4.538 -14.729 -1.379 1.00 0.00 H new ATOM 0 HG2 GLN A 33 2.678 -13.760 -2.445 1.00 0.00 H new ATOM 0 HG3 GLN A 33 2.020 -15.310 -2.932 1.00 0.00 H new ATOM 0 HE21 GLN A 33 2.391 -12.997 -0.303 1.00 0.00 H new ATOM 0 HE22 GLN A 33 1.188 -13.715 0.772 1.00 0.00 H new ATOM 486 N LEU A 34 5.970 -17.712 -2.361 1.00 0.00 N ATOM 487 CA LEU A 34 7.222 -18.375 -2.013 1.00 0.00 C ATOM 488 C LEU A 34 8.156 -18.443 -3.217 1.00 0.00 C ATOM 489 O LEU A 34 9.228 -17.838 -3.218 1.00 0.00 O ATOM 490 CB LEU A 34 6.945 -19.785 -1.487 1.00 0.00 C ATOM 491 CG LEU A 34 5.887 -19.896 -0.389 1.00 0.00 C ATOM 492 CD1 LEU A 34 5.183 -21.242 -0.461 1.00 0.00 C ATOM 493 CD2 LEU A 34 6.516 -19.694 0.982 1.00 0.00 C ATOM 0 H LEU A 34 5.135 -18.273 -2.192 1.00 0.00 H new ATOM 0 HA LEU A 34 7.709 -17.791 -1.232 1.00 0.00 H new ATOM 0 HB2 LEU A 34 6.637 -20.410 -2.325 1.00 0.00 H new ATOM 0 HB3 LEU A 34 7.879 -20.199 -1.107 1.00 0.00 H new ATOM 0 HG LEU A 34 5.146 -19.112 -0.545 1.00 0.00 H new ATOM 0 HD11 LEU A 34 4.433 -21.303 0.328 1.00 0.00 H new ATOM 0 HD12 LEU A 34 4.698 -21.347 -1.431 1.00 0.00 H new ATOM 0 HD13 LEU A 34 5.912 -22.042 -0.331 1.00 0.00 H new ATOM 0 HD21 LEU A 34 5.748 -19.777 1.751 1.00 0.00 H new ATOM 0 HD22 LEU A 34 7.279 -20.455 1.148 1.00 0.00 H new ATOM 0 HD23 LEU A 34 6.973 -18.706 1.031 1.00 0.00 H new ATOM 505 N SER A 35 7.740 -19.181 -4.241 1.00 0.00 N ATOM 506 CA SER A 35 8.540 -19.329 -5.451 1.00 0.00 C ATOM 507 C SER A 35 9.134 -17.990 -5.877 1.00 0.00 C ATOM 508 O SER A 35 10.188 -17.940 -6.511 1.00 0.00 O ATOM 509 CB SER A 35 7.688 -19.906 -6.583 1.00 0.00 C ATOM 510 OG SER A 35 8.498 -20.536 -7.560 1.00 0.00 O ATOM 0 H SER A 35 6.854 -19.686 -4.257 1.00 0.00 H new ATOM 0 HA SER A 35 9.358 -20.016 -5.235 1.00 0.00 H new ATOM 0 HB2 SER A 35 6.977 -20.625 -6.177 1.00 0.00 H new ATOM 0 HB3 SER A 35 7.106 -19.110 -7.047 1.00 0.00 H new ATOM 0 HG SER A 35 7.930 -20.898 -8.272 1.00 0.00 H new ATOM 516 N ARG A 36 8.449 -16.907 -5.523 1.00 0.00 N ATOM 517 CA ARG A 36 8.907 -15.567 -5.870 1.00 0.00 C ATOM 518 C ARG A 36 9.909 -15.052 -4.840 1.00 0.00 C ATOM 519 O ARG A 36 10.859 -14.346 -5.182 1.00 0.00 O ATOM 520 CB ARG A 36 7.719 -14.608 -5.965 1.00 0.00 C ATOM 521 CG ARG A 36 6.722 -14.980 -7.051 1.00 0.00 C ATOM 522 CD ARG A 36 5.762 -13.836 -7.341 1.00 0.00 C ATOM 523 NE ARG A 36 4.903 -14.120 -8.487 1.00 0.00 N ATOM 524 CZ ARG A 36 5.343 -14.176 -9.739 1.00 0.00 C ATOM 525 NH1 ARG A 36 6.626 -13.968 -10.005 1.00 0.00 N ATOM 526 NH2 ARG A 36 4.500 -14.440 -10.729 1.00 0.00 N ATOM 0 H ARG A 36 7.576 -16.931 -4.997 1.00 0.00 H new ATOM 0 HA ARG A 36 9.402 -15.619 -6.840 1.00 0.00 H new ATOM 0 HB2 ARG A 36 7.205 -14.584 -5.004 1.00 0.00 H new ATOM 0 HB3 ARG A 36 8.090 -13.601 -6.154 1.00 0.00 H new ATOM 0 HG2 ARG A 36 7.257 -15.247 -7.962 1.00 0.00 H new ATOM 0 HG3 ARG A 36 6.158 -15.860 -6.743 1.00 0.00 H new ATOM 0 HD2 ARG A 36 5.144 -13.649 -6.462 1.00 0.00 H new ATOM 0 HD3 ARG A 36 6.330 -12.925 -7.531 1.00 0.00 H new ATOM 0 HE ARG A 36 3.911 -14.284 -8.317 1.00 0.00 H new ATOM 0 HH11 ARG A 36 7.278 -13.764 -9.247 1.00 0.00 H new ATOM 0 HH12 ARG A 36 6.961 -14.012 -10.967 1.00 0.00 H new ATOM 0 HH21 ARG A 36 3.513 -14.600 -10.529 1.00 0.00 H new ATOM 0 HH22 ARG A 36 4.839 -14.483 -11.690 1.00 0.00 H new ATOM 540 N LEU A 37 9.690 -15.408 -3.580 1.00 0.00 N ATOM 541 CA LEU A 37 10.573 -14.982 -2.499 1.00 0.00 C ATOM 542 C LEU A 37 11.956 -15.606 -2.649 1.00 0.00 C ATOM 543 O LEU A 37 12.972 -14.963 -2.382 1.00 0.00 O ATOM 544 CB LEU A 37 9.973 -15.361 -1.144 1.00 0.00 C ATOM 545 CG LEU A 37 8.751 -14.556 -0.702 1.00 0.00 C ATOM 546 CD1 LEU A 37 7.955 -15.324 0.342 1.00 0.00 C ATOM 547 CD2 LEU A 37 9.174 -13.198 -0.160 1.00 0.00 C ATOM 0 H LEU A 37 8.908 -15.991 -3.281 1.00 0.00 H new ATOM 0 HA LEU A 37 10.676 -13.898 -2.552 1.00 0.00 H new ATOM 0 HB2 LEU A 37 9.697 -16.415 -1.173 1.00 0.00 H new ATOM 0 HB3 LEU A 37 10.747 -15.255 -0.384 1.00 0.00 H new ATOM 0 HG LEU A 37 8.112 -14.395 -1.571 1.00 0.00 H new ATOM 0 HD11 LEU A 37 7.089 -14.735 0.645 1.00 0.00 H new ATOM 0 HD12 LEU A 37 7.620 -16.272 -0.080 1.00 0.00 H new ATOM 0 HD13 LEU A 37 8.585 -15.516 1.211 1.00 0.00 H new ATOM 0 HD21 LEU A 37 8.291 -12.639 0.150 1.00 0.00 H new ATOM 0 HD22 LEU A 37 9.834 -13.337 0.696 1.00 0.00 H new ATOM 0 HD23 LEU A 37 9.700 -12.644 -0.937 1.00 0.00 H new ATOM 559 N LYS A 38 11.989 -16.863 -3.079 1.00 0.00 N ATOM 560 CA LYS A 38 13.248 -17.574 -3.268 1.00 0.00 C ATOM 561 C LYS A 38 14.056 -16.957 -4.405 1.00 0.00 C ATOM 562 O LYS A 38 15.268 -16.771 -4.290 1.00 0.00 O ATOM 563 CB LYS A 38 12.982 -19.053 -3.561 1.00 0.00 C ATOM 564 CG LYS A 38 12.470 -19.828 -2.360 1.00 0.00 C ATOM 565 CD LYS A 38 11.695 -21.065 -2.784 1.00 0.00 C ATOM 566 CE LYS A 38 12.621 -22.144 -3.326 1.00 0.00 C ATOM 567 NZ LYS A 38 12.867 -21.983 -4.785 1.00 0.00 N ATOM 0 H LYS A 38 11.158 -17.410 -3.303 1.00 0.00 H new ATOM 0 HA LYS A 38 13.826 -17.490 -2.348 1.00 0.00 H new ATOM 0 HB2 LYS A 38 12.255 -19.130 -4.369 1.00 0.00 H new ATOM 0 HB3 LYS A 38 13.903 -19.516 -3.916 1.00 0.00 H new ATOM 0 HG2 LYS A 38 13.310 -20.122 -1.730 1.00 0.00 H new ATOM 0 HG3 LYS A 38 11.829 -19.185 -1.757 1.00 0.00 H new ATOM 0 HD2 LYS A 38 11.138 -21.456 -1.933 1.00 0.00 H new ATOM 0 HD3 LYS A 38 10.964 -20.794 -3.546 1.00 0.00 H new ATOM 0 HE2 LYS A 38 13.570 -22.109 -2.792 1.00 0.00 H new ATOM 0 HE3 LYS A 38 12.185 -23.125 -3.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 12.735 -22.897 -5.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 12.198 -21.289 -5.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 13.840 -21.650 -4.938 1.00 0.00 H new ATOM 581 N LYS A 39 13.379 -16.640 -5.503 1.00 0.00 N ATOM 582 CA LYS A 39 14.032 -16.041 -6.661 1.00 0.00 C ATOM 583 C LYS A 39 14.807 -14.789 -6.261 1.00 0.00 C ATOM 584 O LYS A 39 15.959 -14.607 -6.655 1.00 0.00 O ATOM 585 CB LYS A 39 12.998 -15.693 -7.733 1.00 0.00 C ATOM 586 CG LYS A 39 12.597 -16.875 -8.598 1.00 0.00 C ATOM 587 CD LYS A 39 11.166 -16.745 -9.093 1.00 0.00 C ATOM 588 CE LYS A 39 11.050 -15.700 -10.192 1.00 0.00 C ATOM 589 NZ LYS A 39 11.304 -16.281 -11.539 1.00 0.00 N ATOM 0 H LYS A 39 12.376 -16.788 -5.616 1.00 0.00 H new ATOM 0 HA LYS A 39 14.735 -16.768 -7.067 1.00 0.00 H new ATOM 0 HB2 LYS A 39 12.108 -15.289 -7.250 1.00 0.00 H new ATOM 0 HB3 LYS A 39 13.400 -14.906 -8.371 1.00 0.00 H new ATOM 0 HG2 LYS A 39 13.272 -16.949 -9.450 1.00 0.00 H new ATOM 0 HG3 LYS A 39 12.703 -17.797 -8.027 1.00 0.00 H new ATOM 0 HD2 LYS A 39 10.820 -17.709 -9.468 1.00 0.00 H new ATOM 0 HD3 LYS A 39 10.515 -16.474 -8.262 1.00 0.00 H new ATOM 0 HE2 LYS A 39 10.054 -15.258 -10.169 1.00 0.00 H new ATOM 0 HE3 LYS A 39 11.760 -14.895 -10.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 11.215 -15.537 -12.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 12.264 -16.680 -11.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 10.610 -17.032 -11.730 1.00 0.00 H new ATOM 603 N LEU A 40 14.168 -13.930 -5.474 1.00 0.00 N ATOM 604 CA LEU A 40 14.797 -12.696 -5.019 1.00 0.00 C ATOM 605 C LEU A 40 16.021 -12.994 -4.158 1.00 0.00 C ATOM 606 O LEU A 40 16.991 -12.236 -4.157 1.00 0.00 O ATOM 607 CB LEU A 40 13.797 -11.851 -4.228 1.00 0.00 C ATOM 608 CG LEU A 40 12.523 -11.449 -4.971 1.00 0.00 C ATOM 609 CD1 LEU A 40 11.553 -10.751 -4.030 1.00 0.00 C ATOM 610 CD2 LEU A 40 12.856 -10.554 -6.156 1.00 0.00 C ATOM 0 H LEU A 40 13.215 -14.066 -5.138 1.00 0.00 H new ATOM 0 HA LEU A 40 15.120 -12.137 -5.897 1.00 0.00 H new ATOM 0 HB2 LEU A 40 13.512 -12.404 -3.333 1.00 0.00 H new ATOM 0 HB3 LEU A 40 14.301 -10.944 -3.895 1.00 0.00 H new ATOM 0 HG LEU A 40 12.045 -12.353 -5.347 1.00 0.00 H new ATOM 0 HD11 LEU A 40 10.652 -10.472 -4.577 1.00 0.00 H new ATOM 0 HD12 LEU A 40 11.289 -11.424 -3.215 1.00 0.00 H new ATOM 0 HD13 LEU A 40 12.022 -9.855 -3.623 1.00 0.00 H new ATOM 0 HD21 LEU A 40 11.937 -10.278 -6.673 1.00 0.00 H new ATOM 0 HD22 LEU A 40 13.358 -9.653 -5.802 1.00 0.00 H new ATOM 0 HD23 LEU A 40 13.512 -11.089 -6.843 1.00 0.00 H new ATOM 622 N GLY A 41 15.969 -14.104 -3.429 1.00 0.00 N ATOM 623 CA GLY A 41 17.080 -14.484 -2.576 1.00 0.00 C ATOM 624 C GLY A 41 16.800 -14.225 -1.109 1.00 0.00 C ATOM 625 O GLY A 41 17.725 -14.072 -0.311 1.00 0.00 O ATOM 0 H GLY A 41 15.177 -14.747 -3.414 1.00 0.00 H new ATOM 0 HA2 GLY A 41 17.299 -15.542 -2.720 1.00 0.00 H new ATOM 0 HA3 GLY A 41 17.970 -13.931 -2.876 1.00 0.00 H new ATOM 629 N ILE A 42 15.521 -14.175 -0.753 1.00 0.00 N ATOM 630 CA ILE A 42 15.122 -13.932 0.628 1.00 0.00 C ATOM 631 C ILE A 42 15.222 -15.206 1.461 1.00 0.00 C ATOM 632 O ILE A 42 15.807 -15.207 2.545 1.00 0.00 O ATOM 633 CB ILE A 42 13.683 -13.390 0.711 1.00 0.00 C ATOM 634 CG1 ILE A 42 13.568 -12.068 -0.050 1.00 0.00 C ATOM 635 CG2 ILE A 42 13.268 -13.209 2.164 1.00 0.00 C ATOM 636 CD1 ILE A 42 12.144 -11.584 -0.210 1.00 0.00 C ATOM 0 H ILE A 42 14.743 -14.299 -1.401 1.00 0.00 H new ATOM 0 HA ILE A 42 15.807 -13.184 1.028 1.00 0.00 H new ATOM 0 HB ILE A 42 13.011 -14.113 0.249 1.00 0.00 H new ATOM 0 HG12 ILE A 42 14.145 -11.306 0.473 1.00 0.00 H new ATOM 0 HG13 ILE A 42 14.016 -12.186 -1.037 1.00 0.00 H new ATOM 0 HG21 ILE A 42 12.249 -12.825 2.206 1.00 0.00 H new ATOM 0 HG22 ILE A 42 13.316 -14.169 2.678 1.00 0.00 H new ATOM 0 HG23 ILE A 42 13.942 -12.503 2.650 1.00 0.00 H new ATOM 0 HD11 ILE A 42 12.139 -10.642 -0.759 1.00 0.00 H new ATOM 0 HD12 ILE A 42 11.567 -12.327 -0.760 1.00 0.00 H new ATOM 0 HD13 ILE A 42 11.698 -11.433 0.773 1.00 0.00 H new ATOM 648 N HIS A 43 14.649 -16.289 0.947 1.00 0.00 N ATOM 649 CA HIS A 43 14.676 -17.571 1.642 1.00 0.00 C ATOM 650 C HIS A 43 13.935 -17.483 2.973 1.00 0.00 C ATOM 651 O HIS A 43 14.456 -17.885 4.014 1.00 0.00 O ATOM 652 CB HIS A 43 16.119 -18.018 1.877 1.00 0.00 C ATOM 653 CG HIS A 43 16.723 -18.730 0.706 1.00 0.00 C ATOM 654 ND1 HIS A 43 16.504 -18.350 -0.601 1.00 0.00 N ATOM 655 CD2 HIS A 43 17.546 -19.804 0.651 1.00 0.00 C ATOM 656 CE1 HIS A 43 17.163 -19.160 -1.410 1.00 0.00 C ATOM 657 NE2 HIS A 43 17.804 -20.051 -0.675 1.00 0.00 N ATOM 0 H HIS A 43 14.160 -16.305 0.052 1.00 0.00 H new ATOM 0 HA HIS A 43 14.174 -18.307 1.014 1.00 0.00 H new ATOM 0 HB2 HIS A 43 16.727 -17.145 2.114 1.00 0.00 H new ATOM 0 HB3 HIS A 43 16.150 -18.674 2.747 1.00 0.00 H new ATOM 0 HD2 HIS A 43 17.928 -20.362 1.493 1.00 0.00 H new ATOM 0 HE1 HIS A 43 17.176 -19.103 -2.488 1.00 0.00 H new ATOM 0 HE2 HIS A 43 18.395 -20.801 -1.034 1.00 0.00 H new ATOM 666 N LYS A 44 12.717 -16.953 2.933 1.00 0.00 N ATOM 667 CA LYS A 44 11.904 -16.812 4.135 1.00 0.00 C ATOM 668 C LYS A 44 10.501 -17.366 3.911 1.00 0.00 C ATOM 669 O LYS A 44 9.959 -17.287 2.808 1.00 0.00 O ATOM 670 CB LYS A 44 11.822 -15.341 4.551 1.00 0.00 C ATOM 671 CG LYS A 44 12.965 -14.898 5.448 1.00 0.00 C ATOM 672 CD LYS A 44 13.084 -13.384 5.493 1.00 0.00 C ATOM 673 CE LYS A 44 14.487 -12.946 5.883 1.00 0.00 C ATOM 674 NZ LYS A 44 15.421 -12.977 4.723 1.00 0.00 N ATOM 0 H LYS A 44 12.271 -16.614 2.081 1.00 0.00 H new ATOM 0 HA LYS A 44 12.378 -17.383 4.933 1.00 0.00 H new ATOM 0 HB2 LYS A 44 11.812 -14.719 3.656 1.00 0.00 H new ATOM 0 HB3 LYS A 44 10.878 -15.171 5.069 1.00 0.00 H new ATOM 0 HG2 LYS A 44 12.807 -15.282 6.456 1.00 0.00 H new ATOM 0 HG3 LYS A 44 13.900 -15.327 5.086 1.00 0.00 H new ATOM 0 HD2 LYS A 44 12.830 -12.969 4.518 1.00 0.00 H new ATOM 0 HD3 LYS A 44 12.365 -12.983 6.207 1.00 0.00 H new ATOM 0 HE2 LYS A 44 14.451 -11.937 6.294 1.00 0.00 H new ATOM 0 HE3 LYS A 44 14.865 -13.598 6.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 16.394 -13.111 5.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 15.165 -13.763 4.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 15.357 -12.079 4.202 1.00 0.00 H new ATOM 688 N THR A 45 9.916 -17.928 4.965 1.00 0.00 N ATOM 689 CA THR A 45 8.576 -18.495 4.883 1.00 0.00 C ATOM 690 C THR A 45 7.570 -17.642 5.647 1.00 0.00 C ATOM 691 O THR A 45 6.443 -17.439 5.194 1.00 0.00 O ATOM 692 CB THR A 45 8.539 -19.932 5.438 1.00 0.00 C ATOM 693 OG1 THR A 45 9.389 -20.780 4.658 1.00 0.00 O ATOM 694 CG2 THR A 45 7.120 -20.479 5.427 1.00 0.00 C ATOM 0 H THR A 45 10.350 -18.002 5.885 1.00 0.00 H new ATOM 0 HA THR A 45 8.305 -18.514 3.827 1.00 0.00 H new ATOM 0 HB THR A 45 8.895 -19.910 6.468 1.00 0.00 H new ATOM 0 HG1 THR A 45 9.361 -21.691 5.018 1.00 0.00 H new ATOM 0 HG21 THR A 45 7.118 -21.494 5.823 1.00 0.00 H new ATOM 0 HG22 THR A 45 6.482 -19.847 6.045 1.00 0.00 H new ATOM 0 HG23 THR A 45 6.741 -20.488 4.405 1.00 0.00 H new ATOM 702 N ASP A 46 7.984 -17.143 6.806 1.00 0.00 N ATOM 703 CA ASP A 46 7.119 -16.309 7.633 1.00 0.00 C ATOM 704 C ASP A 46 7.246 -14.840 7.242 1.00 0.00 C ATOM 705 O ASP A 46 8.331 -14.346 6.935 1.00 0.00 O ATOM 706 CB ASP A 46 7.463 -16.488 9.112 1.00 0.00 C ATOM 707 CG ASP A 46 6.674 -17.610 9.759 1.00 0.00 C ATOM 708 OD1 ASP A 46 5.431 -17.607 9.636 1.00 0.00 O ATOM 709 OD2 ASP A 46 7.298 -18.489 10.388 1.00 0.00 O ATOM 0 H ASP A 46 8.914 -17.301 7.195 1.00 0.00 H new ATOM 0 HA ASP A 46 6.088 -16.623 7.468 1.00 0.00 H new ATOM 0 HB2 ASP A 46 8.529 -16.693 9.212 1.00 0.00 H new ATOM 0 HB3 ASP A 46 7.266 -15.557 9.643 1.00 0.00 H new ATOM 714 N PRO A 47 6.112 -14.124 7.254 1.00 0.00 N ATOM 715 CA PRO A 47 6.071 -12.701 6.903 1.00 0.00 C ATOM 716 C PRO A 47 6.750 -11.826 7.951 1.00 0.00 C ATOM 717 O PRO A 47 6.879 -10.615 7.773 1.00 0.00 O ATOM 718 CB PRO A 47 4.573 -12.395 6.840 1.00 0.00 C ATOM 719 CG PRO A 47 3.941 -13.408 7.731 1.00 0.00 C ATOM 720 CD PRO A 47 4.783 -14.648 7.611 1.00 0.00 C ATOM 0 HA PRO A 47 6.602 -12.495 5.974 1.00 0.00 H new ATOM 0 HB2 PRO A 47 4.361 -11.381 7.181 1.00 0.00 H new ATOM 0 HB3 PRO A 47 4.195 -12.474 5.821 1.00 0.00 H new ATOM 0 HG2 PRO A 47 3.910 -13.056 8.762 1.00 0.00 H new ATOM 0 HG3 PRO A 47 2.912 -13.604 7.430 1.00 0.00 H new ATOM 0 HD2 PRO A 47 4.810 -15.208 8.546 1.00 0.00 H new ATOM 0 HD3 PRO A 47 4.398 -15.323 6.846 1.00 0.00 H new ATOM 728 N SER A 48 7.182 -12.446 9.044 1.00 0.00 N ATOM 729 CA SER A 48 7.845 -11.723 10.122 1.00 0.00 C ATOM 730 C SER A 48 9.339 -11.586 9.847 1.00 0.00 C ATOM 731 O SER A 48 9.949 -10.561 10.155 1.00 0.00 O ATOM 732 CB SER A 48 7.625 -12.438 11.456 1.00 0.00 C ATOM 733 OG SER A 48 6.273 -12.341 11.870 1.00 0.00 O ATOM 0 H SER A 48 7.085 -13.448 9.206 1.00 0.00 H new ATOM 0 HA SER A 48 7.410 -10.725 10.176 1.00 0.00 H new ATOM 0 HB2 SER A 48 7.905 -13.487 11.360 1.00 0.00 H new ATOM 0 HB3 SER A 48 8.274 -12.003 12.217 1.00 0.00 H new ATOM 0 HG SER A 48 6.158 -12.807 12.724 1.00 0.00 H new ATOM 739 N THR A 49 9.925 -12.627 9.263 1.00 0.00 N ATOM 740 CA THR A 49 11.347 -12.626 8.946 1.00 0.00 C ATOM 741 C THR A 49 11.683 -11.543 7.927 1.00 0.00 C ATOM 742 O THR A 49 12.724 -10.891 8.018 1.00 0.00 O ATOM 743 CB THR A 49 11.802 -13.991 8.397 1.00 0.00 C ATOM 744 OG1 THR A 49 10.912 -14.423 7.361 1.00 0.00 O ATOM 745 CG2 THR A 49 11.844 -15.034 9.504 1.00 0.00 C ATOM 0 H THR A 49 9.435 -13.482 9.000 1.00 0.00 H new ATOM 0 HA THR A 49 11.877 -12.422 9.876 1.00 0.00 H new ATOM 0 HB THR A 49 12.806 -13.877 7.989 1.00 0.00 H new ATOM 0 HG1 THR A 49 10.044 -13.981 7.470 1.00 0.00 H new ATOM 0 HG21 THR A 49 12.168 -15.989 9.092 1.00 0.00 H new ATOM 0 HG22 THR A 49 12.544 -14.716 10.277 1.00 0.00 H new ATOM 0 HG23 THR A 49 10.850 -15.144 9.938 1.00 0.00 H new ATOM 753 N LEU A 50 10.795 -11.356 6.956 1.00 0.00 N ATOM 754 CA LEU A 50 10.996 -10.350 5.919 1.00 0.00 C ATOM 755 C LEU A 50 11.465 -9.031 6.523 1.00 0.00 C ATOM 756 O LEU A 50 11.185 -8.733 7.685 1.00 0.00 O ATOM 757 CB LEU A 50 9.701 -10.133 5.134 1.00 0.00 C ATOM 758 CG LEU A 50 9.356 -11.206 4.100 1.00 0.00 C ATOM 759 CD1 LEU A 50 10.128 -10.973 2.811 1.00 0.00 C ATOM 760 CD2 LEU A 50 9.644 -12.593 4.654 1.00 0.00 C ATOM 0 H LEU A 50 9.929 -11.888 6.865 1.00 0.00 H new ATOM 0 HA LEU A 50 11.769 -10.712 5.241 1.00 0.00 H new ATOM 0 HB2 LEU A 50 8.877 -10.062 5.844 1.00 0.00 H new ATOM 0 HB3 LEU A 50 9.766 -9.172 4.624 1.00 0.00 H new ATOM 0 HG LEU A 50 8.291 -11.140 3.878 1.00 0.00 H new ATOM 0 HD11 LEU A 50 9.870 -11.746 2.087 1.00 0.00 H new ATOM 0 HD12 LEU A 50 9.871 -9.995 2.405 1.00 0.00 H new ATOM 0 HD13 LEU A 50 11.198 -11.011 3.016 1.00 0.00 H new ATOM 0 HD21 LEU A 50 9.393 -13.344 3.905 1.00 0.00 H new ATOM 0 HD22 LEU A 50 10.702 -12.672 4.906 1.00 0.00 H new ATOM 0 HD23 LEU A 50 9.045 -12.759 5.549 1.00 0.00 H new ATOM 772 N THR A 51 12.179 -8.241 5.726 1.00 0.00 N ATOM 773 CA THR A 51 12.686 -6.953 6.182 1.00 0.00 C ATOM 774 C THR A 51 12.111 -5.811 5.351 1.00 0.00 C ATOM 775 O THR A 51 11.302 -6.033 4.451 1.00 0.00 O ATOM 776 CB THR A 51 14.224 -6.899 6.113 1.00 0.00 C ATOM 777 OG1 THR A 51 14.664 -7.150 4.774 1.00 0.00 O ATOM 778 CG2 THR A 51 14.844 -7.919 7.056 1.00 0.00 C ATOM 0 H THR A 51 12.419 -8.471 4.762 1.00 0.00 H new ATOM 0 HA THR A 51 12.372 -6.838 7.219 1.00 0.00 H new ATOM 0 HB THR A 51 14.544 -5.903 6.419 1.00 0.00 H new ATOM 0 HG1 THR A 51 15.643 -7.112 4.739 1.00 0.00 H new ATOM 0 HG21 THR A 51 15.931 -7.862 6.990 1.00 0.00 H new ATOM 0 HG22 THR A 51 14.531 -7.707 8.078 1.00 0.00 H new ATOM 0 HG23 THR A 51 14.515 -8.920 6.776 1.00 0.00 H new ATOM 786 N GLU A 52 12.534 -4.590 5.660 1.00 0.00 N ATOM 787 CA GLU A 52 12.060 -3.413 4.941 1.00 0.00 C ATOM 788 C GLU A 52 12.455 -3.480 3.468 1.00 0.00 C ATOM 789 O GLU A 52 11.681 -3.101 2.590 1.00 0.00 O ATOM 790 CB GLU A 52 12.623 -2.139 5.574 1.00 0.00 C ATOM 791 CG GLU A 52 14.120 -1.972 5.377 1.00 0.00 C ATOM 792 CD GLU A 52 14.677 -0.774 6.122 1.00 0.00 C ATOM 793 OE1 GLU A 52 14.115 0.331 5.973 1.00 0.00 O ATOM 794 OE2 GLU A 52 15.674 -0.942 6.855 1.00 0.00 O ATOM 0 H GLU A 52 13.204 -4.390 6.403 1.00 0.00 H new ATOM 0 HA GLU A 52 10.972 -3.392 5.008 1.00 0.00 H new ATOM 0 HB2 GLU A 52 12.111 -1.276 5.150 1.00 0.00 H new ATOM 0 HB3 GLU A 52 12.404 -2.147 6.642 1.00 0.00 H new ATOM 0 HG2 GLU A 52 14.630 -2.874 5.715 1.00 0.00 H new ATOM 0 HG3 GLU A 52 14.333 -1.865 4.313 1.00 0.00 H new ATOM 801 N GLU A 53 13.666 -3.963 3.208 1.00 0.00 N ATOM 802 CA GLU A 53 14.164 -4.078 1.842 1.00 0.00 C ATOM 803 C GLU A 53 13.418 -5.169 1.080 1.00 0.00 C ATOM 804 O GLU A 53 12.884 -4.931 -0.002 1.00 0.00 O ATOM 805 CB GLU A 53 15.664 -4.378 1.846 1.00 0.00 C ATOM 806 CG GLU A 53 16.298 -4.333 0.466 1.00 0.00 C ATOM 807 CD GLU A 53 17.586 -5.130 0.390 1.00 0.00 C ATOM 808 OE1 GLU A 53 17.638 -6.232 0.973 1.00 0.00 O ATOM 809 OE2 GLU A 53 18.542 -4.649 -0.254 1.00 0.00 O ATOM 0 H GLU A 53 14.319 -4.280 3.924 1.00 0.00 H new ATOM 0 HA GLU A 53 13.992 -3.126 1.339 1.00 0.00 H new ATOM 0 HB2 GLU A 53 16.168 -3.659 2.492 1.00 0.00 H new ATOM 0 HB3 GLU A 53 15.827 -5.365 2.280 1.00 0.00 H new ATOM 0 HG2 GLU A 53 15.591 -4.721 -0.267 1.00 0.00 H new ATOM 0 HG3 GLU A 53 16.500 -3.296 0.197 1.00 0.00 H new ATOM 816 N GLU A 54 13.387 -6.368 1.655 1.00 0.00 N ATOM 817 CA GLU A 54 12.708 -7.497 1.029 1.00 0.00 C ATOM 818 C GLU A 54 11.223 -7.201 0.839 1.00 0.00 C ATOM 819 O GLU A 54 10.610 -7.642 -0.133 1.00 0.00 O ATOM 820 CB GLU A 54 12.884 -8.759 1.876 1.00 0.00 C ATOM 821 CG GLU A 54 14.324 -9.235 1.968 1.00 0.00 C ATOM 822 CD GLU A 54 15.090 -9.029 0.676 1.00 0.00 C ATOM 823 OE1 GLU A 54 14.531 -9.331 -0.400 1.00 0.00 O ATOM 824 OE2 GLU A 54 16.248 -8.567 0.739 1.00 0.00 O ATOM 0 H GLU A 54 13.823 -6.582 2.552 1.00 0.00 H new ATOM 0 HA GLU A 54 13.156 -7.660 0.049 1.00 0.00 H new ATOM 0 HB2 GLU A 54 12.509 -8.567 2.881 1.00 0.00 H new ATOM 0 HB3 GLU A 54 12.273 -9.557 1.455 1.00 0.00 H new ATOM 0 HG2 GLU A 54 14.828 -8.702 2.774 1.00 0.00 H new ATOM 0 HG3 GLU A 54 14.337 -10.293 2.229 1.00 0.00 H new ATOM 831 N VAL A 55 10.650 -6.452 1.776 1.00 0.00 N ATOM 832 CA VAL A 55 9.238 -6.096 1.713 1.00 0.00 C ATOM 833 C VAL A 55 8.943 -5.232 0.492 1.00 0.00 C ATOM 834 O VAL A 55 8.035 -5.527 -0.285 1.00 0.00 O ATOM 835 CB VAL A 55 8.791 -5.344 2.980 1.00 0.00 C ATOM 836 CG1 VAL A 55 7.476 -4.620 2.736 1.00 0.00 C ATOM 837 CG2 VAL A 55 8.671 -6.304 4.154 1.00 0.00 C ATOM 0 H VAL A 55 11.143 -6.080 2.588 1.00 0.00 H new ATOM 0 HA VAL A 55 8.680 -7.029 1.638 1.00 0.00 H new ATOM 0 HB VAL A 55 9.548 -4.599 3.225 1.00 0.00 H new ATOM 0 HG11 VAL A 55 7.176 -4.094 3.643 1.00 0.00 H new ATOM 0 HG12 VAL A 55 7.601 -3.902 1.925 1.00 0.00 H new ATOM 0 HG13 VAL A 55 6.707 -5.344 2.465 1.00 0.00 H new ATOM 0 HG21 VAL A 55 8.354 -5.756 5.041 1.00 0.00 H new ATOM 0 HG22 VAL A 55 7.935 -7.074 3.921 1.00 0.00 H new ATOM 0 HG23 VAL A 55 9.638 -6.771 4.342 1.00 0.00 H new ATOM 847 N ARG A 56 9.717 -4.164 0.329 1.00 0.00 N ATOM 848 CA ARG A 56 9.538 -3.256 -0.798 1.00 0.00 C ATOM 849 C ARG A 56 9.716 -3.992 -2.123 1.00 0.00 C ATOM 850 O ARG A 56 9.046 -3.687 -3.110 1.00 0.00 O ATOM 851 CB ARG A 56 10.533 -2.097 -0.709 1.00 0.00 C ATOM 852 CG ARG A 56 10.266 -1.154 0.453 1.00 0.00 C ATOM 853 CD ARG A 56 11.371 -0.119 0.596 1.00 0.00 C ATOM 854 NE ARG A 56 11.143 1.046 -0.254 1.00 0.00 N ATOM 855 CZ ARG A 56 10.248 1.989 0.017 1.00 0.00 C ATOM 856 NH1 ARG A 56 9.501 1.905 1.109 1.00 0.00 N ATOM 857 NH2 ARG A 56 10.098 3.020 -0.806 1.00 0.00 N ATOM 0 H ARG A 56 10.474 -3.906 0.963 1.00 0.00 H new ATOM 0 HA ARG A 56 8.523 -2.860 -0.756 1.00 0.00 H new ATOM 0 HB2 ARG A 56 11.541 -2.501 -0.614 1.00 0.00 H new ATOM 0 HB3 ARG A 56 10.503 -1.531 -1.640 1.00 0.00 H new ATOM 0 HG2 ARG A 56 9.311 -0.650 0.302 1.00 0.00 H new ATOM 0 HG3 ARG A 56 10.181 -1.727 1.376 1.00 0.00 H new ATOM 0 HD2 ARG A 56 11.437 0.199 1.636 1.00 0.00 H new ATOM 0 HD3 ARG A 56 12.328 -0.573 0.340 1.00 0.00 H new ATOM 0 HE ARG A 56 11.702 1.141 -1.102 1.00 0.00 H new ATOM 0 HH11 ARG A 56 9.613 1.114 1.744 1.00 0.00 H new ATOM 0 HH12 ARG A 56 8.814 2.631 1.314 1.00 0.00 H new ATOM 0 HH21 ARG A 56 10.670 3.088 -1.647 1.00 0.00 H new ATOM 0 HH22 ARG A 56 9.410 3.744 -0.597 1.00 0.00 H new ATOM 871 N LYS A 57 10.624 -4.962 -2.138 1.00 0.00 N ATOM 872 CA LYS A 57 10.890 -5.743 -3.340 1.00 0.00 C ATOM 873 C LYS A 57 9.740 -6.701 -3.633 1.00 0.00 C ATOM 874 O LYS A 57 9.169 -6.686 -4.723 1.00 0.00 O ATOM 875 CB LYS A 57 12.195 -6.528 -3.184 1.00 0.00 C ATOM 876 CG LYS A 57 13.440 -5.667 -3.303 1.00 0.00 C ATOM 877 CD LYS A 57 14.669 -6.504 -3.617 1.00 0.00 C ATOM 878 CE LYS A 57 15.120 -7.307 -2.406 1.00 0.00 C ATOM 879 NZ LYS A 57 16.225 -8.246 -2.744 1.00 0.00 N ATOM 0 H LYS A 57 11.188 -5.226 -1.330 1.00 0.00 H new ATOM 0 HA LYS A 57 10.986 -5.052 -4.178 1.00 0.00 H new ATOM 0 HB2 LYS A 57 12.197 -7.023 -2.213 1.00 0.00 H new ATOM 0 HB3 LYS A 57 12.231 -7.311 -3.941 1.00 0.00 H new ATOM 0 HG2 LYS A 57 13.295 -4.923 -4.086 1.00 0.00 H new ATOM 0 HG3 LYS A 57 13.597 -5.123 -2.372 1.00 0.00 H new ATOM 0 HD2 LYS A 57 14.448 -7.181 -4.442 1.00 0.00 H new ATOM 0 HD3 LYS A 57 15.479 -5.854 -3.946 1.00 0.00 H new ATOM 0 HE2 LYS A 57 15.449 -6.626 -1.621 1.00 0.00 H new ATOM 0 HE3 LYS A 57 14.275 -7.869 -2.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 16.193 -9.065 -2.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 16.117 -8.571 -3.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 17.138 -7.760 -2.639 1.00 0.00 H new ATOM 893 N PHE A 58 9.404 -7.533 -2.652 1.00 0.00 N ATOM 894 CA PHE A 58 8.322 -8.497 -2.804 1.00 0.00 C ATOM 895 C PHE A 58 7.048 -7.813 -3.292 1.00 0.00 C ATOM 896 O PHE A 58 6.435 -8.241 -4.269 1.00 0.00 O ATOM 897 CB PHE A 58 8.055 -9.211 -1.477 1.00 0.00 C ATOM 898 CG PHE A 58 6.807 -10.046 -1.486 1.00 0.00 C ATOM 899 CD1 PHE A 58 6.706 -11.156 -2.308 1.00 0.00 C ATOM 900 CD2 PHE A 58 5.734 -9.720 -0.672 1.00 0.00 C ATOM 901 CE1 PHE A 58 5.558 -11.927 -2.319 1.00 0.00 C ATOM 902 CE2 PHE A 58 4.584 -10.487 -0.678 1.00 0.00 C ATOM 903 CZ PHE A 58 4.496 -11.591 -1.503 1.00 0.00 C ATOM 0 H PHE A 58 9.866 -7.558 -1.743 1.00 0.00 H new ATOM 0 HA PHE A 58 8.627 -9.232 -3.549 1.00 0.00 H new ATOM 0 HB2 PHE A 58 8.907 -9.848 -1.238 1.00 0.00 H new ATOM 0 HB3 PHE A 58 7.980 -8.468 -0.683 1.00 0.00 H new ATOM 0 HD1 PHE A 58 7.534 -11.423 -2.948 1.00 0.00 H new ATOM 0 HD2 PHE A 58 5.797 -8.857 -0.026 1.00 0.00 H new ATOM 0 HE1 PHE A 58 5.492 -12.790 -2.965 1.00 0.00 H new ATOM 0 HE2 PHE A 58 3.755 -10.223 -0.038 1.00 0.00 H new ATOM 0 HZ PHE A 58 3.598 -12.191 -1.510 1.00 0.00 H new ATOM 913 N ALA A 59 6.655 -6.747 -2.602 1.00 0.00 N ATOM 914 CA ALA A 59 5.456 -6.002 -2.964 1.00 0.00 C ATOM 915 C ALA A 59 5.569 -5.431 -4.374 1.00 0.00 C ATOM 916 O ALA A 59 4.706 -5.666 -5.220 1.00 0.00 O ATOM 917 CB ALA A 59 5.204 -4.887 -1.960 1.00 0.00 C ATOM 0 H ALA A 59 7.150 -6.380 -1.789 1.00 0.00 H new ATOM 0 HA ALA A 59 4.611 -6.691 -2.945 1.00 0.00 H new ATOM 0 HB1 ALA A 59 4.305 -4.339 -2.243 1.00 0.00 H new ATOM 0 HB2 ALA A 59 5.070 -5.315 -0.967 1.00 0.00 H new ATOM 0 HB3 ALA A 59 6.056 -4.207 -1.950 1.00 0.00 H new ATOM 923 N ARG A 60 6.638 -4.680 -4.619 1.00 0.00 N ATOM 924 CA ARG A 60 6.862 -4.074 -5.926 1.00 0.00 C ATOM 925 C ARG A 60 6.360 -4.987 -7.042 1.00 0.00 C ATOM 926 O ARG A 60 5.619 -4.555 -7.925 1.00 0.00 O ATOM 927 CB ARG A 60 8.349 -3.777 -6.126 1.00 0.00 C ATOM 928 CG ARG A 60 8.766 -2.400 -5.637 1.00 0.00 C ATOM 929 CD ARG A 60 10.274 -2.302 -5.468 1.00 0.00 C ATOM 930 NE ARG A 60 10.964 -2.215 -6.752 1.00 0.00 N ATOM 931 CZ ARG A 60 12.229 -2.578 -6.933 1.00 0.00 C ATOM 932 NH1 ARG A 60 12.938 -3.051 -5.918 1.00 0.00 N ATOM 933 NH2 ARG A 60 12.787 -2.469 -8.132 1.00 0.00 N ATOM 0 H ARG A 60 7.362 -4.477 -3.930 1.00 0.00 H new ATOM 0 HA ARG A 60 6.303 -3.139 -5.966 1.00 0.00 H new ATOM 0 HB2 ARG A 60 8.935 -4.532 -5.602 1.00 0.00 H new ATOM 0 HB3 ARG A 60 8.589 -3.865 -7.186 1.00 0.00 H new ATOM 0 HG2 ARG A 60 8.428 -1.643 -6.345 1.00 0.00 H new ATOM 0 HG3 ARG A 60 8.278 -2.187 -4.686 1.00 0.00 H new ATOM 0 HD2 ARG A 60 10.515 -1.425 -4.867 1.00 0.00 H new ATOM 0 HD3 ARG A 60 10.635 -3.173 -4.921 1.00 0.00 H new ATOM 0 HE ARG A 60 10.446 -1.856 -7.554 1.00 0.00 H new ATOM 0 HH11 ARG A 60 12.513 -3.137 -4.995 1.00 0.00 H new ATOM 0 HH12 ARG A 60 13.909 -3.329 -6.060 1.00 0.00 H new ATOM 0 HH21 ARG A 60 12.245 -2.106 -8.916 1.00 0.00 H new ATOM 0 HH22 ARG A 60 13.758 -2.748 -8.270 1.00 0.00 H new ATOM 947 N LEU A 61 6.769 -6.250 -6.994 1.00 0.00 N ATOM 948 CA LEU A 61 6.362 -7.224 -8.001 1.00 0.00 C ATOM 949 C LEU A 61 4.929 -6.969 -8.457 1.00 0.00 C ATOM 950 O LEU A 61 4.651 -6.896 -9.653 1.00 0.00 O ATOM 951 CB LEU A 61 6.488 -8.644 -7.445 1.00 0.00 C ATOM 952 CG LEU A 61 7.903 -9.104 -7.094 1.00 0.00 C ATOM 953 CD1 LEU A 61 7.858 -10.292 -6.146 1.00 0.00 C ATOM 954 CD2 LEU A 61 8.678 -9.455 -8.356 1.00 0.00 C ATOM 0 H LEU A 61 7.382 -6.624 -6.269 1.00 0.00 H new ATOM 0 HA LEU A 61 7.022 -7.118 -8.862 1.00 0.00 H new ATOM 0 HB2 LEU A 61 5.871 -8.718 -6.550 1.00 0.00 H new ATOM 0 HB3 LEU A 61 6.073 -9.337 -8.177 1.00 0.00 H new ATOM 0 HG LEU A 61 8.417 -8.284 -6.592 1.00 0.00 H new ATOM 0 HD11 LEU A 61 8.874 -10.606 -5.907 1.00 0.00 H new ATOM 0 HD12 LEU A 61 7.342 -10.007 -5.229 1.00 0.00 H new ATOM 0 HD13 LEU A 61 7.326 -11.116 -6.621 1.00 0.00 H new ATOM 0 HD21 LEU A 61 9.683 -9.780 -8.087 1.00 0.00 H new ATOM 0 HD22 LEU A 61 8.166 -10.258 -8.886 1.00 0.00 H new ATOM 0 HD23 LEU A 61 8.741 -8.578 -9.000 1.00 0.00 H new ATOM 966 N ASN A 62 4.022 -6.833 -7.494 1.00 0.00 N ATOM 967 CA ASN A 62 2.617 -6.585 -7.797 1.00 0.00 C ATOM 968 C ASN A 62 2.307 -5.092 -7.752 1.00 0.00 C ATOM 969 O ASN A 62 2.253 -4.490 -6.679 1.00 0.00 O ATOM 970 CB ASN A 62 1.721 -7.333 -6.808 1.00 0.00 C ATOM 971 CG ASN A 62 0.251 -7.024 -7.012 1.00 0.00 C ATOM 972 OD1 ASN A 62 -0.327 -6.201 -6.301 1.00 0.00 O ATOM 973 ND2 ASN A 62 -0.363 -7.684 -7.987 1.00 0.00 N ATOM 0 H ASN A 62 4.235 -6.890 -6.498 1.00 0.00 H new ATOM 0 HA ASN A 62 2.418 -6.950 -8.805 1.00 0.00 H new ATOM 0 HB2 ASN A 62 1.882 -8.406 -6.915 1.00 0.00 H new ATOM 0 HB3 ASN A 62 2.007 -7.068 -5.790 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -1.352 -7.518 -8.171 1.00 0.00 H new ATOM 0 HD22 ASN A 62 0.155 -8.357 -8.552 1.00 0.00 H new ATOM 980 N ILE A 63 2.104 -4.500 -8.925 1.00 0.00 N ATOM 981 CA ILE A 63 1.798 -3.078 -9.019 1.00 0.00 C ATOM 982 C ILE A 63 0.347 -2.855 -9.434 1.00 0.00 C ATOM 983 O ILE A 63 -0.041 -3.163 -10.561 1.00 0.00 O ATOM 984 CB ILE A 63 2.723 -2.369 -10.026 1.00 0.00 C ATOM 985 CG1 ILE A 63 4.189 -2.604 -9.657 1.00 0.00 C ATOM 986 CG2 ILE A 63 2.414 -0.880 -10.071 1.00 0.00 C ATOM 987 CD1 ILE A 63 5.160 -2.166 -10.732 1.00 0.00 C ATOM 0 H ILE A 63 2.146 -4.983 -9.822 1.00 0.00 H new ATOM 0 HA ILE A 63 1.960 -2.653 -8.028 1.00 0.00 H new ATOM 0 HB ILE A 63 2.546 -2.787 -11.017 1.00 0.00 H new ATOM 0 HG12 ILE A 63 4.414 -2.068 -8.735 1.00 0.00 H new ATOM 0 HG13 ILE A 63 4.339 -3.664 -9.453 1.00 0.00 H new ATOM 0 HG21 ILE A 63 3.076 -0.393 -10.787 1.00 0.00 H new ATOM 0 HG22 ILE A 63 1.378 -0.732 -10.376 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.567 -0.447 -9.083 1.00 0.00 H new ATOM 0 HD11 ILE A 63 6.180 -2.362 -10.403 1.00 0.00 H new ATOM 0 HD12 ILE A 63 4.962 -2.721 -11.649 1.00 0.00 H new ATOM 0 HD13 ILE A 63 5.038 -1.099 -10.920 1.00 0.00 H new ATOM 999 N ASP A 64 -0.448 -2.316 -8.517 1.00 0.00 N ATOM 1000 CA ASP A 64 -1.856 -2.048 -8.788 1.00 0.00 C ATOM 1001 C ASP A 64 -2.016 -1.215 -10.056 1.00 0.00 C ATOM 1002 O ASP A 64 -1.208 -0.336 -10.357 1.00 0.00 O ATOM 1003 CB ASP A 64 -2.496 -1.323 -7.602 1.00 0.00 C ATOM 1004 CG ASP A 64 -2.016 -1.859 -6.268 1.00 0.00 C ATOM 1005 OD1 ASP A 64 -2.100 -3.087 -6.057 1.00 0.00 O ATOM 1006 OD2 ASP A 64 -1.556 -1.051 -5.434 1.00 0.00 O ATOM 0 H ASP A 64 -0.142 -2.056 -7.579 1.00 0.00 H new ATOM 0 HA ASP A 64 -2.361 -3.003 -8.936 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -2.269 -0.259 -7.665 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -3.580 -1.422 -7.661 1.00 0.00 H new ATOM 1011 N PRO A 65 -3.083 -1.497 -10.818 1.00 0.00 N ATOM 1012 CA PRO A 65 -3.374 -0.785 -12.066 1.00 0.00 C ATOM 1013 C PRO A 65 -3.805 0.657 -11.824 1.00 0.00 C ATOM 1014 O PRO A 65 -3.602 1.526 -12.671 1.00 0.00 O ATOM 1015 CB PRO A 65 -4.524 -1.592 -12.674 1.00 0.00 C ATOM 1016 CG PRO A 65 -5.183 -2.249 -11.511 1.00 0.00 C ATOM 1017 CD PRO A 65 -4.088 -2.531 -10.520 1.00 0.00 C ATOM 0 HA PRO A 65 -2.497 -0.715 -12.709 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -5.220 -0.947 -13.211 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -4.156 -2.328 -13.389 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -5.945 -1.601 -11.077 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -5.682 -3.170 -11.814 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -4.447 -2.458 -9.493 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -3.681 -3.535 -10.645 1.00 0.00 H new ATOM 1025 N ALA A 66 -4.402 0.905 -10.663 1.00 0.00 N ATOM 1026 CA ALA A 66 -4.859 2.243 -10.309 1.00 0.00 C ATOM 1027 C ALA A 66 -3.687 3.211 -10.194 1.00 0.00 C ATOM 1028 O ALA A 66 -3.787 4.373 -10.589 1.00 0.00 O ATOM 1029 CB ALA A 66 -5.644 2.205 -9.006 1.00 0.00 C ATOM 0 H ALA A 66 -4.580 0.196 -9.951 1.00 0.00 H new ATOM 0 HA ALA A 66 -5.513 2.599 -11.105 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -5.979 3.211 -8.754 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -6.509 1.552 -9.122 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -5.006 1.824 -8.208 1.00 0.00 H new ATOM 1035 N THR A 67 -2.575 2.726 -9.650 1.00 0.00 N ATOM 1036 CA THR A 67 -1.384 3.549 -9.481 1.00 0.00 C ATOM 1037 C THR A 67 -0.219 3.004 -10.299 1.00 0.00 C ATOM 1038 O THR A 67 0.765 2.513 -9.745 1.00 0.00 O ATOM 1039 CB THR A 67 -0.964 3.632 -8.002 1.00 0.00 C ATOM 1040 OG1 THR A 67 -0.551 2.342 -7.537 1.00 0.00 O ATOM 1041 CG2 THR A 67 -2.109 4.145 -7.142 1.00 0.00 C ATOM 0 H THR A 67 -2.475 1.767 -9.319 1.00 0.00 H new ATOM 0 HA THR A 67 -1.637 4.548 -9.835 1.00 0.00 H new ATOM 0 HB THR A 67 -0.131 4.330 -7.922 1.00 0.00 H new ATOM 0 HG1 THR A 67 0.189 2.016 -8.090 1.00 0.00 H new ATOM 0 HG21 THR A 67 -1.788 4.195 -6.101 1.00 0.00 H new ATOM 0 HG22 THR A 67 -2.401 5.139 -7.480 1.00 0.00 H new ATOM 0 HG23 THR A 67 -2.960 3.469 -7.227 1.00 0.00 H new ATOM 1049 N ILE A 68 -0.336 3.094 -11.620 1.00 0.00 N ATOM 1050 CA ILE A 68 0.710 2.612 -12.513 1.00 0.00 C ATOM 1051 C ILE A 68 1.681 3.730 -12.878 1.00 0.00 C ATOM 1052 O ILE A 68 1.388 4.568 -13.732 1.00 0.00 O ATOM 1053 CB ILE A 68 0.117 2.020 -13.806 1.00 0.00 C ATOM 1054 CG1 ILE A 68 -0.735 0.790 -13.485 1.00 0.00 C ATOM 1055 CG2 ILE A 68 1.227 1.662 -14.782 1.00 0.00 C ATOM 1056 CD1 ILE A 68 0.079 -0.430 -13.117 1.00 0.00 C ATOM 0 H ILE A 68 -1.144 3.496 -12.095 1.00 0.00 H new ATOM 0 HA ILE A 68 1.247 1.829 -11.977 1.00 0.00 H new ATOM 0 HB ILE A 68 -0.522 2.770 -14.272 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -1.408 1.029 -12.662 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -1.358 0.554 -14.348 1.00 0.00 H new ATOM 0 HG21 ILE A 68 0.792 1.245 -15.690 1.00 0.00 H new ATOM 0 HG22 ILE A 68 1.796 2.558 -15.030 1.00 0.00 H new ATOM 0 HG23 ILE A 68 1.889 0.926 -14.326 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -0.591 -1.263 -12.902 1.00 0.00 H new ATOM 0 HD12 ILE A 68 0.733 -0.695 -13.948 1.00 0.00 H new ATOM 0 HD13 ILE A 68 0.682 -0.213 -12.235 1.00 0.00 H new ATOM 1068 N THR A 69 2.840 3.736 -12.227 1.00 0.00 N ATOM 1069 CA THR A 69 3.855 4.750 -12.483 1.00 0.00 C ATOM 1070 C THR A 69 4.884 4.255 -13.493 1.00 0.00 C ATOM 1071 O THR A 69 5.948 3.762 -13.118 1.00 0.00 O ATOM 1072 CB THR A 69 4.579 5.159 -11.187 1.00 0.00 C ATOM 1073 OG1 THR A 69 3.629 5.613 -10.216 1.00 0.00 O ATOM 1074 CG2 THR A 69 5.598 6.255 -11.459 1.00 0.00 C ATOM 0 H THR A 69 3.099 3.050 -11.518 1.00 0.00 H new ATOM 0 HA THR A 69 3.339 5.619 -12.891 1.00 0.00 H new ATOM 0 HB THR A 69 5.103 4.286 -10.799 1.00 0.00 H new ATOM 0 HG1 THR A 69 4.098 5.869 -9.395 1.00 0.00 H new ATOM 0 HG21 THR A 69 6.097 6.527 -10.529 1.00 0.00 H new ATOM 0 HG22 THR A 69 6.337 5.895 -12.175 1.00 0.00 H new ATOM 0 HG23 THR A 69 5.092 7.129 -11.869 1.00 0.00 H new ATOM 1082 N TRP A 70 4.561 4.391 -14.774 1.00 0.00 N ATOM 1083 CA TRP A 70 5.459 3.957 -15.838 1.00 0.00 C ATOM 1084 C TRP A 70 6.839 4.586 -15.676 1.00 0.00 C ATOM 1085 O TRP A 70 7.063 5.724 -16.086 1.00 0.00 O ATOM 1086 CB TRP A 70 4.877 4.321 -17.205 1.00 0.00 C ATOM 1087 CG TRP A 70 3.417 4.004 -17.332 1.00 0.00 C ATOM 1088 CD1 TRP A 70 2.868 2.859 -17.833 1.00 0.00 C ATOM 1089 CD2 TRP A 70 2.322 4.844 -16.953 1.00 0.00 C ATOM 1090 NE1 TRP A 70 1.497 2.936 -17.789 1.00 0.00 N ATOM 1091 CE2 TRP A 70 1.137 4.144 -17.253 1.00 0.00 C ATOM 1092 CE3 TRP A 70 2.226 6.119 -16.389 1.00 0.00 C ATOM 1093 CZ2 TRP A 70 -0.126 4.678 -17.007 1.00 0.00 C ATOM 1094 CZ3 TRP A 70 0.972 6.648 -16.146 1.00 0.00 C ATOM 1095 CH2 TRP A 70 -0.190 5.928 -16.454 1.00 0.00 C ATOM 0 H TRP A 70 3.685 4.798 -15.101 1.00 0.00 H new ATOM 0 HA TRP A 70 5.563 2.874 -15.772 1.00 0.00 H new ATOM 0 HB2 TRP A 70 5.027 5.386 -17.384 1.00 0.00 H new ATOM 0 HB3 TRP A 70 5.426 3.787 -17.980 1.00 0.00 H new ATOM 0 HD1 TRP A 70 3.429 2.016 -18.209 1.00 0.00 H new ATOM 0 HE1 TRP A 70 0.852 2.211 -18.104 1.00 0.00 H new ATOM 0 HE3 TRP A 70 3.116 6.681 -16.147 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -1.023 4.125 -17.244 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 0.887 7.633 -15.711 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -1.155 6.368 -16.251 1.00 0.00 H new ATOM 1106 N GLN A 71 7.758 3.838 -15.075 1.00 0.00 N ATOM 1107 CA GLN A 71 9.116 4.324 -14.859 1.00 0.00 C ATOM 1108 C GLN A 71 9.939 4.228 -16.139 1.00 0.00 C ATOM 1109 O GLN A 71 9.659 3.402 -17.009 1.00 0.00 O ATOM 1110 CB GLN A 71 9.793 3.529 -13.742 1.00 0.00 C ATOM 1111 CG GLN A 71 11.119 4.121 -13.291 1.00 0.00 C ATOM 1112 CD GLN A 71 12.282 3.672 -14.152 1.00 0.00 C ATOM 1113 OE1 GLN A 71 12.922 4.482 -14.824 1.00 0.00 O ATOM 1114 NE2 GLN A 71 12.564 2.374 -14.137 1.00 0.00 N ATOM 0 H GLN A 71 7.588 2.894 -14.729 1.00 0.00 H new ATOM 0 HA GLN A 71 9.057 5.372 -14.565 1.00 0.00 H new ATOM 0 HB2 GLN A 71 9.119 3.474 -12.887 1.00 0.00 H new ATOM 0 HB3 GLN A 71 9.958 2.507 -14.083 1.00 0.00 H new ATOM 0 HG2 GLN A 71 11.053 5.209 -13.314 1.00 0.00 H new ATOM 0 HG3 GLN A 71 11.307 3.835 -12.256 1.00 0.00 H new ATOM 0 HE21 GLN A 71 12.008 1.738 -13.566 1.00 0.00 H new ATOM 0 HE22 GLN A 71 13.337 2.013 -14.697 1.00 0.00 H new TER 1123 GLN A 71