USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 555 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 59 GLN : amide:sc= 0.198 K(o=0.84,f=-0.087) USER MOD Set 1.2: A 61 SER OG : rot 90:sc= 0.639 USER MOD Set 2.1: A 26 LYS NZ :NH3+ -148:sc= -0.302 (180deg=-2.52!) USER MOD Set 2.2: A 65 THR OG1 : rot 180:sc= 0.29 USER MOD Single : A 2 SER OG : rot -36:sc= 0.115 USER MOD Single : A 3 HIS : no HE2:sc= -0.371 X(o=-0.37,f=-0.53) USER MOD Single : A 4 MET CE :methyl -179:sc= 0 (180deg=-0.0025) USER MOD Single : A 7 SER OG : rot 75:sc= 0.996 USER MOD Single : A 8 SER OG : rot 73:sc= 0.814 USER MOD Single : A 12 SER OG : rot 72:sc= 0.908 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 151:sc= 0.277 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 155:sc= 1.69 USER MOD Single : A 57 ASN : amide:sc= 0.512 K(o=0.51,f=-0.12) USER MOD Single : A 58 GLN : amide:sc= 0.836 K(o=0.84,f=-0.016) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= 0.197 X(o=0.2,f=0) USER MOD Single : A 73 ASN : amide:sc= -0.0316 K(o=-0.032,f=-0.64) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 HIS : no HE2:sc= 0.347 K(o=0.35,f=-2.7!) USER MOD ----------------------------------------------------------------- ATOM 8 N SER A 2 16.742 17.546 -6.902 1.00 1.00 N ATOM 9 CA SER A 2 16.045 17.010 -5.717 1.00 1.00 C ATOM 10 C SER A 2 14.691 16.374 -6.057 1.00 1.00 C ATOM 11 O SER A 2 14.345 15.320 -5.524 1.00 1.00 O ATOM 12 CB SER A 2 15.862 18.115 -4.670 1.00 1.00 C ATOM 13 OG SER A 2 15.206 19.244 -5.234 1.00 1.00 O ATOM 0 HA SER A 2 16.673 16.216 -5.312 1.00 1.00 H new ATOM 0 HB2 SER A 2 15.281 17.734 -3.830 1.00 1.00 H new ATOM 0 HB3 SER A 2 16.834 18.413 -4.276 1.00 1.00 H new ATOM 0 HG SER A 2 15.503 19.367 -6.160 1.00 1.00 H new ATOM 19 N HIS A 3 13.963 16.949 -7.018 1.00 1.00 N ATOM 20 CA HIS A 3 12.726 16.394 -7.578 1.00 1.00 C ATOM 21 C HIS A 3 12.902 14.999 -8.211 1.00 1.00 C ATOM 22 O HIS A 3 11.983 14.181 -8.143 1.00 1.00 O ATOM 23 CB HIS A 3 12.133 17.401 -8.579 1.00 1.00 C ATOM 24 CG HIS A 3 13.097 17.870 -9.644 1.00 1.00 C ATOM 25 ND1 HIS A 3 13.380 17.238 -10.835 1.00 1.00 N ATOM 26 CD2 HIS A 3 13.865 19.005 -9.602 1.00 1.00 C ATOM 27 CE1 HIS A 3 14.301 17.966 -11.490 1.00 1.00 C ATOM 28 NE2 HIS A 3 14.634 19.055 -10.772 1.00 1.00 N ATOM 0 H HIS A 3 14.225 17.840 -7.441 1.00 1.00 H new ATOM 0 HA HIS A 3 12.031 16.238 -6.753 1.00 1.00 H new ATOM 0 HB2 HIS A 3 11.269 16.946 -9.064 1.00 1.00 H new ATOM 0 HB3 HIS A 3 11.769 18.269 -8.029 1.00 1.00 H new ATOM 0 HD1 HIS A 3 12.962 16.367 -11.163 1.00 1.00 H new ATOM 0 HD2 HIS A 3 13.875 19.734 -8.805 1.00 1.00 H new ATOM 0 HE1 HIS A 3 14.715 17.713 -12.455 1.00 1.00 H new ATOM 36 N MET A 4 14.075 14.683 -8.777 1.00 1.00 N ATOM 37 CA MET A 4 14.377 13.343 -9.309 1.00 1.00 C ATOM 38 C MET A 4 14.646 12.330 -8.188 1.00 1.00 C ATOM 39 O MET A 4 14.236 11.174 -8.292 1.00 1.00 O ATOM 40 CB MET A 4 15.583 13.378 -10.264 1.00 1.00 C ATOM 41 CG MET A 4 15.437 14.375 -11.422 1.00 1.00 C ATOM 42 SD MET A 4 13.925 14.239 -12.420 1.00 1.00 S ATOM 43 CE MET A 4 14.232 12.643 -13.223 1.00 1.00 C ATOM 0 H MET A 4 14.842 15.347 -8.880 1.00 1.00 H new ATOM 0 HA MET A 4 13.493 13.024 -9.861 1.00 1.00 H new ATOM 0 HB2 MET A 4 16.477 13.629 -9.694 1.00 1.00 H new ATOM 0 HB3 MET A 4 15.736 12.380 -10.675 1.00 1.00 H new ATOM 0 HG2 MET A 4 15.486 15.384 -11.012 1.00 1.00 H new ATOM 0 HG3 MET A 4 16.295 14.258 -12.084 1.00 1.00 H new ATOM 0 HE1 MET A 4 13.405 12.408 -13.893 1.00 1.00 H new ATOM 0 HE2 MET A 4 15.158 12.696 -13.795 1.00 1.00 H new ATOM 0 HE3 MET A 4 14.318 11.865 -12.465 1.00 1.00 H new ATOM 53 N LEU A 5 15.286 12.760 -7.094 1.00 1.00 N ATOM 54 CA LEU A 5 15.498 11.933 -5.898 1.00 1.00 C ATOM 55 C LEU A 5 14.172 11.639 -5.176 1.00 1.00 C ATOM 56 O LEU A 5 13.922 10.502 -4.777 1.00 1.00 O ATOM 57 CB LEU A 5 16.501 12.623 -4.952 1.00 1.00 C ATOM 58 CG LEU A 5 17.892 12.888 -5.561 1.00 1.00 C ATOM 59 CD1 LEU A 5 18.758 13.651 -4.558 1.00 1.00 C ATOM 60 CD2 LEU A 5 18.622 11.598 -5.939 1.00 1.00 C ATOM 0 H LEU A 5 15.675 13.699 -7.012 1.00 1.00 H new ATOM 0 HA LEU A 5 15.914 10.976 -6.212 1.00 1.00 H new ATOM 0 HB2 LEU A 5 16.076 13.573 -4.626 1.00 1.00 H new ATOM 0 HB3 LEU A 5 16.622 12.006 -4.062 1.00 1.00 H new ATOM 0 HG LEU A 5 17.733 13.471 -6.468 1.00 1.00 H new ATOM 0 HD11 LEU A 5 19.740 13.836 -4.992 1.00 1.00 H new ATOM 0 HD12 LEU A 5 18.283 14.602 -4.316 1.00 1.00 H new ATOM 0 HD13 LEU A 5 18.869 13.060 -3.649 1.00 1.00 H new ATOM 0 HD21 LEU A 5 19.596 11.842 -6.363 1.00 1.00 H new ATOM 0 HD22 LEU A 5 18.757 10.983 -5.050 1.00 1.00 H new ATOM 0 HD23 LEU A 5 18.034 11.049 -6.674 1.00 1.00 H new ATOM 72 N GLU A 6 13.285 12.633 -5.071 1.00 1.00 N ATOM 73 CA GLU A 6 11.917 12.459 -4.564 1.00 1.00 C ATOM 74 C GLU A 6 11.089 11.524 -5.459 1.00 1.00 C ATOM 75 O GLU A 6 10.428 10.616 -4.952 1.00 1.00 O ATOM 76 CB GLU A 6 11.223 13.825 -4.438 1.00 1.00 C ATOM 77 CG GLU A 6 11.792 14.666 -3.287 1.00 1.00 C ATOM 78 CD GLU A 6 11.150 16.058 -3.256 1.00 1.00 C ATOM 79 OE1 GLU A 6 11.615 16.941 -4.017 1.00 1.00 O ATOM 80 OE2 GLU A 6 10.186 16.246 -2.474 1.00 1.00 O ATOM 0 H GLU A 6 13.498 13.594 -5.339 1.00 1.00 H new ATOM 0 HA GLU A 6 11.986 11.995 -3.580 1.00 1.00 H new ATOM 0 HB2 GLU A 6 11.333 14.373 -5.374 1.00 1.00 H new ATOM 0 HB3 GLU A 6 10.155 13.674 -4.281 1.00 1.00 H new ATOM 0 HG2 GLU A 6 11.615 14.159 -2.339 1.00 1.00 H new ATOM 0 HG3 GLU A 6 12.872 14.762 -3.401 1.00 1.00 H new ATOM 87 N SER A 7 11.178 11.673 -6.787 1.00 1.00 N ATOM 88 CA SER A 7 10.538 10.753 -7.741 1.00 1.00 C ATOM 89 C SER A 7 11.060 9.319 -7.592 1.00 1.00 C ATOM 90 O SER A 7 10.271 8.375 -7.595 1.00 1.00 O ATOM 91 CB SER A 7 10.742 11.216 -9.189 1.00 1.00 C ATOM 92 OG SER A 7 10.141 12.480 -9.414 1.00 1.00 O ATOM 0 H SER A 7 11.694 12.432 -7.231 1.00 1.00 H new ATOM 0 HA SER A 7 9.473 10.763 -7.508 1.00 1.00 H new ATOM 0 HB2 SER A 7 11.808 11.273 -9.408 1.00 1.00 H new ATOM 0 HB3 SER A 7 10.315 10.481 -9.872 1.00 1.00 H new ATOM 0 HG SER A 7 10.685 13.180 -8.997 1.00 1.00 H new ATOM 98 N SER A 8 12.370 9.145 -7.388 1.00 1.00 N ATOM 99 CA SER A 8 12.991 7.833 -7.148 1.00 1.00 C ATOM 100 C SER A 8 12.522 7.195 -5.834 1.00 1.00 C ATOM 101 O SER A 8 12.276 5.988 -5.793 1.00 1.00 O ATOM 102 CB SER A 8 14.522 7.941 -7.139 1.00 1.00 C ATOM 103 OG SER A 8 15.011 8.413 -8.385 1.00 1.00 O ATOM 0 H SER A 8 13.037 9.916 -7.384 1.00 1.00 H new ATOM 0 HA SER A 8 12.674 7.191 -7.970 1.00 1.00 H new ATOM 0 HB2 SER A 8 14.837 8.616 -6.343 1.00 1.00 H new ATOM 0 HB3 SER A 8 14.957 6.966 -6.921 1.00 1.00 H new ATOM 0 HG SER A 8 14.803 9.366 -8.478 1.00 1.00 H new ATOM 109 N ALA A 9 12.343 7.985 -4.770 1.00 1.00 N ATOM 110 CA ALA A 9 11.777 7.519 -3.502 1.00 1.00 C ATOM 111 C ALA A 9 10.294 7.115 -3.633 1.00 1.00 C ATOM 112 O ALA A 9 9.885 6.081 -3.102 1.00 1.00 O ATOM 113 CB ALA A 9 11.972 8.614 -2.447 1.00 1.00 C ATOM 0 H ALA A 9 12.590 8.975 -4.766 1.00 1.00 H new ATOM 0 HA ALA A 9 12.302 6.615 -3.194 1.00 1.00 H new ATOM 0 HB1 ALA A 9 11.555 8.282 -1.496 1.00 1.00 H new ATOM 0 HB2 ALA A 9 13.036 8.817 -2.326 1.00 1.00 H new ATOM 0 HB3 ALA A 9 11.464 9.523 -2.768 1.00 1.00 H new ATOM 119 N GLU A 10 9.488 7.881 -4.375 1.00 1.00 N ATOM 120 CA GLU A 10 8.084 7.545 -4.661 1.00 1.00 C ATOM 121 C GLU A 10 7.944 6.288 -5.535 1.00 1.00 C ATOM 122 O GLU A 10 7.087 5.444 -5.268 1.00 1.00 O ATOM 123 CB GLU A 10 7.380 8.738 -5.326 1.00 1.00 C ATOM 124 CG GLU A 10 7.119 9.882 -4.336 1.00 1.00 C ATOM 125 CD GLU A 10 6.503 11.094 -5.046 1.00 1.00 C ATOM 126 OE1 GLU A 10 5.255 11.121 -5.188 1.00 1.00 O ATOM 127 OE2 GLU A 10 7.271 12.000 -5.451 1.00 1.00 O ATOM 0 H GLU A 10 9.791 8.758 -4.798 1.00 1.00 H new ATOM 0 HA GLU A 10 7.605 7.324 -3.707 1.00 1.00 H new ATOM 0 HB2 GLU A 10 7.991 9.105 -6.150 1.00 1.00 H new ATOM 0 HB3 GLU A 10 6.434 8.407 -5.754 1.00 1.00 H new ATOM 0 HG2 GLU A 10 6.449 9.539 -3.547 1.00 1.00 H new ATOM 0 HG3 GLU A 10 8.054 10.173 -3.857 1.00 1.00 H new ATOM 134 N GLU A 11 8.809 6.104 -6.535 1.00 1.00 N ATOM 135 CA GLU A 11 8.883 4.859 -7.311 1.00 1.00 C ATOM 136 C GLU A 11 9.332 3.669 -6.450 1.00 1.00 C ATOM 137 O GLU A 11 8.766 2.583 -6.563 1.00 1.00 O ATOM 138 CB GLU A 11 9.822 5.030 -8.516 1.00 1.00 C ATOM 139 CG GLU A 11 9.190 5.889 -9.619 1.00 1.00 C ATOM 140 CD GLU A 11 10.182 6.142 -10.761 1.00 1.00 C ATOM 141 OE1 GLU A 11 11.021 7.066 -10.625 1.00 1.00 O ATOM 142 OE2 GLU A 11 10.105 5.416 -11.782 1.00 1.00 O ATOM 0 H GLU A 11 9.479 6.813 -6.832 1.00 1.00 H new ATOM 0 HA GLU A 11 7.877 4.642 -7.671 1.00 1.00 H new ATOM 0 HB2 GLU A 11 10.754 5.490 -8.187 1.00 1.00 H new ATOM 0 HB3 GLU A 11 10.076 4.050 -8.920 1.00 1.00 H new ATOM 0 HG2 GLU A 11 8.302 5.390 -10.008 1.00 1.00 H new ATOM 0 HG3 GLU A 11 8.863 6.841 -9.200 1.00 1.00 H new ATOM 149 N SER A 12 10.281 3.873 -5.530 1.00 1.00 N ATOM 150 CA SER A 12 10.697 2.836 -4.573 1.00 1.00 C ATOM 151 C SER A 12 9.550 2.420 -3.648 1.00 1.00 C ATOM 152 O SER A 12 9.365 1.230 -3.394 1.00 1.00 O ATOM 153 CB SER A 12 11.899 3.289 -3.736 1.00 1.00 C ATOM 154 OG SER A 12 13.027 3.544 -4.558 1.00 1.00 O ATOM 0 H SER A 12 10.781 4.756 -5.426 1.00 1.00 H new ATOM 0 HA SER A 12 10.991 1.970 -5.166 1.00 1.00 H new ATOM 0 HB2 SER A 12 11.640 4.190 -3.179 1.00 1.00 H new ATOM 0 HB3 SER A 12 12.146 2.521 -3.003 1.00 1.00 H new ATOM 0 HG SER A 12 12.883 4.371 -5.063 1.00 1.00 H new ATOM 160 N LEU A 13 8.725 3.370 -3.198 1.00 1.00 N ATOM 161 CA LEU A 13 7.509 3.088 -2.430 1.00 1.00 C ATOM 162 C LEU A 13 6.493 2.309 -3.278 1.00 1.00 C ATOM 163 O LEU A 13 5.943 1.320 -2.801 1.00 1.00 O ATOM 164 CB LEU A 13 6.954 4.418 -1.882 1.00 1.00 C ATOM 165 CG LEU A 13 5.760 4.308 -0.910 1.00 1.00 C ATOM 166 CD1 LEU A 13 5.619 5.629 -0.150 1.00 1.00 C ATOM 167 CD2 LEU A 13 4.414 4.051 -1.601 1.00 1.00 C ATOM 0 H LEU A 13 8.884 4.365 -3.358 1.00 1.00 H new ATOM 0 HA LEU A 13 7.735 2.443 -1.581 1.00 1.00 H new ATOM 0 HB2 LEU A 13 7.763 4.943 -1.374 1.00 1.00 H new ATOM 0 HB3 LEU A 13 6.653 5.038 -2.727 1.00 1.00 H new ATOM 0 HG LEU A 13 5.977 3.458 -0.263 1.00 1.00 H new ATOM 0 HD11 LEU A 13 4.778 5.564 0.540 1.00 1.00 H new ATOM 0 HD12 LEU A 13 6.533 5.826 0.410 1.00 1.00 H new ATOM 0 HD13 LEU A 13 5.445 6.439 -0.858 1.00 1.00 H new ATOM 0 HD21 LEU A 13 3.626 3.987 -0.850 1.00 1.00 H new ATOM 0 HD22 LEU A 13 4.195 4.869 -2.287 1.00 1.00 H new ATOM 0 HD23 LEU A 13 4.463 3.115 -2.157 1.00 1.00 H new ATOM 179 N ALA A 14 6.287 2.682 -4.545 1.00 1.00 N ATOM 180 CA ALA A 14 5.428 1.934 -5.465 1.00 1.00 C ATOM 181 C ALA A 14 5.897 0.476 -5.654 1.00 1.00 C ATOM 182 O ALA A 14 5.068 -0.431 -5.721 1.00 1.00 O ATOM 183 CB ALA A 14 5.323 2.689 -6.796 1.00 1.00 C ATOM 0 H ALA A 14 6.712 3.511 -4.961 1.00 1.00 H new ATOM 0 HA ALA A 14 4.432 1.863 -5.027 1.00 1.00 H new ATOM 0 HB1 ALA A 14 4.684 2.132 -7.481 1.00 1.00 H new ATOM 0 HB2 ALA A 14 4.895 3.676 -6.622 1.00 1.00 H new ATOM 0 HB3 ALA A 14 6.316 2.796 -7.233 1.00 1.00 H new ATOM 189 N TYR A 15 7.212 0.226 -5.679 1.00 1.00 N ATOM 190 CA TYR A 15 7.773 -1.135 -5.723 1.00 1.00 C ATOM 191 C TYR A 15 7.537 -1.919 -4.417 1.00 1.00 C ATOM 192 O TYR A 15 7.215 -3.109 -4.465 1.00 1.00 O ATOM 193 CB TYR A 15 9.274 -1.099 -6.063 1.00 1.00 C ATOM 194 CG TYR A 15 9.671 -0.385 -7.349 1.00 1.00 C ATOM 195 CD1 TYR A 15 8.814 -0.363 -8.472 1.00 1.00 C ATOM 196 CD2 TYR A 15 10.925 0.255 -7.422 1.00 1.00 C ATOM 197 CE1 TYR A 15 9.190 0.328 -9.639 1.00 1.00 C ATOM 198 CE2 TYR A 15 11.305 0.949 -8.587 1.00 1.00 C ATOM 199 CZ TYR A 15 10.435 0.995 -9.697 1.00 1.00 C ATOM 200 OH TYR A 15 10.805 1.671 -10.820 1.00 1.00 O ATOM 0 H TYR A 15 7.920 0.961 -5.669 1.00 1.00 H new ATOM 0 HA TYR A 15 7.241 -1.664 -6.514 1.00 1.00 H new ATOM 0 HB2 TYR A 15 9.798 -0.623 -5.235 1.00 1.00 H new ATOM 0 HB3 TYR A 15 9.634 -2.126 -6.120 1.00 1.00 H new ATOM 0 HD1 TYR A 15 7.866 -0.879 -8.435 1.00 1.00 H new ATOM 0 HD2 TYR A 15 11.599 0.213 -6.579 1.00 1.00 H new ATOM 0 HE1 TYR A 15 8.527 0.349 -10.491 1.00 1.00 H new ATOM 0 HE2 TYR A 15 12.263 1.446 -8.631 1.00 1.00 H new ATOM 0 HH TYR A 15 11.690 2.070 -10.685 1.00 1.00 H new ATOM 210 N ARG A 16 7.633 -1.265 -3.247 1.00 1.00 N ATOM 211 CA ARG A 16 7.254 -1.860 -1.947 1.00 1.00 C ATOM 212 C ARG A 16 5.759 -2.175 -1.868 1.00 1.00 C ATOM 213 O ARG A 16 5.380 -3.226 -1.361 1.00 1.00 O ATOM 214 CB ARG A 16 7.651 -0.936 -0.779 1.00 1.00 C ATOM 215 CG ARG A 16 9.172 -0.790 -0.612 1.00 1.00 C ATOM 216 CD ARG A 16 9.539 0.204 0.496 1.00 1.00 C ATOM 217 NE ARG A 16 9.112 -0.262 1.829 1.00 1.00 N ATOM 218 CZ ARG A 16 9.153 0.439 2.951 1.00 1.00 C ATOM 219 NH1 ARG A 16 9.601 1.667 3.001 1.00 1.00 N ATOM 220 NH2 ARG A 16 8.737 -0.089 4.070 1.00 1.00 N ATOM 0 H ARG A 16 7.976 -0.307 -3.172 1.00 1.00 H new ATOM 0 HA ARG A 16 7.801 -2.799 -1.865 1.00 1.00 H new ATOM 0 HB2 ARG A 16 7.213 0.049 -0.939 1.00 1.00 H new ATOM 0 HB3 ARG A 16 7.226 -1.327 0.146 1.00 1.00 H new ATOM 0 HG2 ARG A 16 9.606 -1.763 -0.383 1.00 1.00 H new ATOM 0 HG3 ARG A 16 9.609 -0.459 -1.554 1.00 1.00 H new ATOM 0 HD2 ARG A 16 10.617 0.362 0.497 1.00 1.00 H new ATOM 0 HD3 ARG A 16 9.076 1.168 0.285 1.00 1.00 H new ATOM 0 HE ARG A 16 8.751 -1.214 1.892 1.00 1.00 H new ATOM 0 HH11 ARG A 16 9.937 2.122 2.152 1.00 1.00 H new ATOM 0 HH12 ARG A 16 9.614 2.169 3.889 1.00 1.00 H new ATOM 0 HH21 ARG A 16 8.379 -1.044 4.081 1.00 1.00 H new ATOM 0 HH22 ARG A 16 8.770 0.454 4.933 1.00 1.00 H new ATOM 234 N GLU A 17 4.913 -1.297 -2.402 1.00 1.00 N ATOM 235 CA GLU A 17 3.467 -1.515 -2.500 1.00 1.00 C ATOM 236 C GLU A 17 3.127 -2.668 -3.456 1.00 1.00 C ATOM 237 O GLU A 17 2.306 -3.509 -3.118 1.00 1.00 O ATOM 238 CB GLU A 17 2.778 -0.208 -2.923 1.00 1.00 C ATOM 239 CG GLU A 17 1.263 -0.253 -2.694 1.00 1.00 C ATOM 240 CD GLU A 17 0.600 1.021 -3.221 1.00 1.00 C ATOM 241 OE1 GLU A 17 0.245 1.046 -4.424 1.00 1.00 O ATOM 242 OE2 GLU A 17 0.447 1.975 -2.424 1.00 1.00 O ATOM 0 H GLU A 17 5.214 -0.401 -2.785 1.00 1.00 H new ATOM 0 HA GLU A 17 3.093 -1.808 -1.519 1.00 1.00 H new ATOM 0 HB2 GLU A 17 3.204 0.624 -2.362 1.00 1.00 H new ATOM 0 HB3 GLU A 17 2.979 -0.018 -3.977 1.00 1.00 H new ATOM 0 HG2 GLU A 17 0.840 -1.124 -3.195 1.00 1.00 H new ATOM 0 HG3 GLU A 17 1.054 -0.365 -1.630 1.00 1.00 H new ATOM 249 N ASP A 18 3.800 -2.779 -4.605 1.00 1.00 N ATOM 250 CA ASP A 18 3.638 -3.897 -5.543 1.00 1.00 C ATOM 251 C ASP A 18 3.984 -5.263 -4.923 1.00 1.00 C ATOM 252 O ASP A 18 3.377 -6.270 -5.285 1.00 1.00 O ATOM 253 CB ASP A 18 4.496 -3.627 -6.787 1.00 1.00 C ATOM 254 CG ASP A 18 4.399 -4.762 -7.809 1.00 1.00 C ATOM 255 OD1 ASP A 18 3.279 -4.969 -8.329 1.00 1.00 O ATOM 256 OD2 ASP A 18 5.437 -5.414 -8.075 1.00 1.00 O ATOM 0 H ASP A 18 4.482 -2.087 -4.915 1.00 1.00 H new ATOM 0 HA ASP A 18 2.584 -3.956 -5.815 1.00 1.00 H new ATOM 0 HB2 ASP A 18 4.178 -2.693 -7.251 1.00 1.00 H new ATOM 0 HB3 ASP A 18 5.536 -3.496 -6.488 1.00 1.00 H new ATOM 273 N LEU A 20 3.041 -6.121 -1.969 1.00 1.00 N ATOM 274 CA LEU A 20 1.773 -6.437 -1.291 1.00 1.00 C ATOM 275 C LEU A 20 0.744 -7.140 -2.203 1.00 1.00 C ATOM 276 O LEU A 20 -0.227 -7.702 -1.696 1.00 1.00 O ATOM 277 CB LEU A 20 1.149 -5.166 -0.679 1.00 1.00 C ATOM 278 CG LEU A 20 2.088 -4.267 0.142 1.00 1.00 C ATOM 279 CD1 LEU A 20 1.330 -3.028 0.624 1.00 1.00 C ATOM 280 CD2 LEU A 20 2.695 -4.990 1.346 1.00 1.00 C ATOM 0 HA LEU A 20 2.026 -7.142 -0.500 1.00 1.00 H new ATOM 0 HB2 LEU A 20 0.727 -4.570 -1.488 1.00 1.00 H new ATOM 0 HB3 LEU A 20 0.320 -5.467 -0.039 1.00 1.00 H new ATOM 0 HG LEU A 20 2.909 -3.980 -0.515 1.00 1.00 H new ATOM 0 HD11 LEU A 20 2.000 -2.395 1.205 1.00 1.00 H new ATOM 0 HD12 LEU A 20 0.959 -2.471 -0.236 1.00 1.00 H new ATOM 0 HD13 LEU A 20 0.490 -3.335 1.247 1.00 1.00 H new ATOM 0 HD21 LEU A 20 3.349 -4.307 1.889 1.00 1.00 H new ATOM 0 HD22 LEU A 20 1.897 -5.330 2.006 1.00 1.00 H new ATOM 0 HD23 LEU A 20 3.272 -5.848 1.002 1.00 1.00 H new ATOM 292 N ARG A 21 0.952 -7.172 -3.532 1.00 1.00 N ATOM 293 CA ARG A 21 0.112 -7.932 -4.492 1.00 1.00 C ATOM 294 C ARG A 21 0.118 -9.455 -4.245 1.00 1.00 C ATOM 295 O ARG A 21 -0.735 -10.177 -4.757 1.00 1.00 O ATOM 296 CB ARG A 21 0.559 -7.586 -5.930 1.00 1.00 C ATOM 297 CG ARG A 21 -0.521 -7.818 -7.002 1.00 1.00 C ATOM 298 CD ARG A 21 0.005 -7.666 -8.440 1.00 1.00 C ATOM 299 NE ARG A 21 0.583 -6.333 -8.701 1.00 1.00 N ATOM 300 CZ ARG A 21 0.164 -5.403 -9.542 1.00 1.00 C ATOM 301 NH1 ARG A 21 -0.877 -5.528 -10.323 1.00 1.00 N ATOM 302 NH2 ARG A 21 0.800 -4.271 -9.614 1.00 1.00 N ATOM 0 H ARG A 21 1.716 -6.667 -3.981 1.00 1.00 H new ATOM 0 HA ARG A 21 -0.924 -7.629 -4.342 1.00 1.00 H new ATOM 0 HB2 ARG A 21 0.866 -6.541 -5.961 1.00 1.00 H new ATOM 0 HB3 ARG A 21 1.436 -8.184 -6.179 1.00 1.00 H new ATOM 0 HG2 ARG A 21 -0.936 -8.818 -6.879 1.00 1.00 H new ATOM 0 HG3 ARG A 21 -1.337 -7.112 -6.845 1.00 1.00 H new ATOM 0 HD2 ARG A 21 0.762 -8.428 -8.627 1.00 1.00 H new ATOM 0 HD3 ARG A 21 -0.810 -7.847 -9.141 1.00 1.00 H new ATOM 0 HE ARG A 21 1.416 -6.098 -8.161 1.00 1.00 H new ATOM 0 HH11 ARG A 21 -1.426 -6.388 -10.308 1.00 1.00 H new ATOM 0 HH12 ARG A 21 -1.141 -4.766 -10.947 1.00 1.00 H new ATOM 0 HH21 ARG A 21 1.616 -4.106 -9.024 1.00 1.00 H new ATOM 0 HH22 ARG A 21 0.483 -3.548 -10.260 1.00 1.00 H new ATOM 316 N GLY A 22 1.051 -9.948 -3.424 1.00 1.00 N ATOM 317 CA GLY A 22 1.101 -11.333 -2.940 1.00 1.00 C ATOM 318 C GLY A 22 0.567 -11.523 -1.512 1.00 1.00 C ATOM 319 O GLY A 22 0.874 -12.543 -0.890 1.00 1.00 O ATOM 0 H GLY A 22 1.817 -9.377 -3.066 1.00 1.00 H new ATOM 0 HA2 GLY A 22 0.525 -11.963 -3.618 1.00 1.00 H new ATOM 0 HA3 GLY A 22 2.133 -11.682 -2.979 1.00 1.00 H new ATOM 323 N ARG A 23 -0.199 -10.559 -0.970 1.00 1.00 N ATOM 324 CA ARG A 23 -0.687 -10.550 0.423 1.00 1.00 C ATOM 325 C ARG A 23 -2.198 -10.319 0.552 1.00 1.00 C ATOM 326 O ARG A 23 -2.874 -9.792 -0.335 1.00 1.00 O ATOM 327 CB ARG A 23 0.089 -9.512 1.255 1.00 1.00 C ATOM 328 CG ARG A 23 1.561 -9.899 1.447 1.00 1.00 C ATOM 329 CD ARG A 23 2.191 -8.982 2.498 1.00 1.00 C ATOM 330 NE ARG A 23 3.591 -9.341 2.788 1.00 1.00 N ATOM 331 CZ ARG A 23 4.652 -9.025 2.064 1.00 1.00 C ATOM 332 NH1 ARG A 23 4.567 -8.391 0.928 1.00 1.00 N ATOM 333 NH2 ARG A 23 5.851 -9.346 2.463 1.00 1.00 N ATOM 0 H ARG A 23 -0.504 -9.744 -1.501 1.00 1.00 H new ATOM 0 HA ARG A 23 -0.503 -11.551 0.814 1.00 1.00 H new ATOM 0 HB2 ARG A 23 0.033 -8.541 0.763 1.00 1.00 H new ATOM 0 HB3 ARG A 23 -0.386 -9.404 2.230 1.00 1.00 H new ATOM 0 HG2 ARG A 23 1.637 -10.940 1.763 1.00 1.00 H new ATOM 0 HG3 ARG A 23 2.098 -9.812 0.503 1.00 1.00 H new ATOM 0 HD2 ARG A 23 2.148 -7.950 2.149 1.00 1.00 H new ATOM 0 HD3 ARG A 23 1.608 -9.032 3.417 1.00 1.00 H new ATOM 0 HE ARG A 23 3.759 -9.888 3.632 1.00 1.00 H new ATOM 0 HH11 ARG A 23 3.654 -8.118 0.564 1.00 1.00 H new ATOM 0 HH12 ARG A 23 5.413 -8.168 0.404 1.00 1.00 H new ATOM 0 HH21 ARG A 23 5.979 -9.847 3.342 1.00 1.00 H new ATOM 0 HH22 ARG A 23 6.661 -9.097 1.896 1.00 1.00 H new ATOM 347 N LEU A 24 -2.701 -10.732 1.712 1.00 1.00 N ATOM 348 CA LEU A 24 -4.091 -10.660 2.163 1.00 1.00 C ATOM 349 C LEU A 24 -4.302 -9.383 3.004 1.00 1.00 C ATOM 350 O LEU A 24 -3.385 -8.902 3.675 1.00 1.00 O ATOM 351 CB LEU A 24 -4.314 -11.941 2.998 1.00 1.00 C ATOM 352 CG LEU A 24 -5.762 -12.441 3.110 1.00 1.00 C ATOM 353 CD1 LEU A 24 -6.242 -13.057 1.794 1.00 1.00 C ATOM 354 CD2 LEU A 24 -5.825 -13.546 4.167 1.00 1.00 C ATOM 0 H LEU A 24 -2.101 -11.160 2.418 1.00 1.00 H new ATOM 0 HA LEU A 24 -4.801 -10.606 1.338 1.00 1.00 H new ATOM 0 HB2 LEU A 24 -3.710 -12.739 2.567 1.00 1.00 H new ATOM 0 HB3 LEU A 24 -3.936 -11.763 4.005 1.00 1.00 H new ATOM 0 HG LEU A 24 -6.390 -11.588 3.369 1.00 1.00 H new ATOM 0 HD11 LEU A 24 -7.270 -13.401 1.907 1.00 1.00 H new ATOM 0 HD12 LEU A 24 -6.195 -12.308 1.003 1.00 1.00 H new ATOM 0 HD13 LEU A 24 -5.604 -13.901 1.533 1.00 1.00 H new ATOM 0 HD21 LEU A 24 -6.849 -13.908 4.254 1.00 1.00 H new ATOM 0 HD22 LEU A 24 -5.173 -14.369 3.873 1.00 1.00 H new ATOM 0 HD23 LEU A 24 -5.497 -13.149 5.128 1.00 1.00 H new ATOM 366 N GLY A 25 -5.519 -8.852 2.991 1.00 1.00 N ATOM 367 CA GLY A 25 -5.921 -7.604 3.642 1.00 1.00 C ATOM 368 C GLY A 25 -7.323 -7.624 4.264 1.00 1.00 C ATOM 369 O GLY A 25 -7.993 -8.658 4.322 1.00 1.00 O ATOM 0 H GLY A 25 -6.294 -9.301 2.502 1.00 1.00 H new ATOM 0 HA2 GLY A 25 -5.197 -7.368 4.422 1.00 1.00 H new ATOM 0 HA3 GLY A 25 -5.875 -6.798 2.910 1.00 1.00 H new ATOM 373 N LYS A 26 -7.755 -6.449 4.734 1.00 1.00 N ATOM 374 CA LYS A 26 -8.943 -6.190 5.553 1.00 1.00 C ATOM 375 C LYS A 26 -9.568 -4.859 5.142 1.00 1.00 C ATOM 376 O LYS A 26 -8.921 -3.817 5.242 1.00 1.00 O ATOM 377 CB LYS A 26 -8.477 -6.164 7.019 1.00 1.00 C ATOM 378 CG LYS A 26 -9.551 -5.833 8.070 1.00 1.00 C ATOM 379 CD LYS A 26 -10.806 -6.720 8.088 1.00 1.00 C ATOM 380 CE LYS A 26 -10.570 -8.191 8.467 1.00 1.00 C ATOM 381 NZ LYS A 26 -9.942 -8.966 7.378 1.00 1.00 N ATOM 0 H LYS A 26 -7.244 -5.589 4.536 1.00 1.00 H new ATOM 0 HA LYS A 26 -9.703 -6.959 5.418 1.00 1.00 H new ATOM 0 HB2 LYS A 26 -8.051 -7.138 7.260 1.00 1.00 H new ATOM 0 HB3 LYS A 26 -7.673 -5.434 7.110 1.00 1.00 H new ATOM 0 HG2 LYS A 26 -9.087 -5.882 9.055 1.00 1.00 H new ATOM 0 HG3 LYS A 26 -9.868 -4.801 7.918 1.00 1.00 H new ATOM 0 HD2 LYS A 26 -11.522 -6.292 8.790 1.00 1.00 H new ATOM 0 HD3 LYS A 26 -11.268 -6.687 7.101 1.00 1.00 H new ATOM 0 HE2 LYS A 26 -9.936 -8.237 9.352 1.00 1.00 H new ATOM 0 HE3 LYS A 26 -11.522 -8.651 8.733 1.00 1.00 H new ATOM 0 HZ1 LYS A 26 -10.274 -9.951 7.417 1.00 1.00 H new ATOM 0 HZ2 LYS A 26 -10.201 -8.549 6.461 1.00 1.00 H new ATOM 0 HZ3 LYS A 26 -8.908 -8.945 7.488 1.00 1.00 H new ATOM 395 N VAL A 27 -10.797 -4.897 4.631 1.00 1.00 N ATOM 396 CA VAL A 27 -11.542 -3.699 4.178 1.00 1.00 C ATOM 397 C VAL A 27 -12.052 -2.877 5.367 1.00 1.00 C ATOM 398 O VAL A 27 -12.609 -3.425 6.320 1.00 1.00 O ATOM 399 CB VAL A 27 -12.682 -4.085 3.206 1.00 1.00 C ATOM 400 CG1 VAL A 27 -13.559 -2.901 2.791 1.00 1.00 C ATOM 401 CG2 VAL A 27 -12.043 -4.651 1.937 1.00 1.00 C ATOM 0 H VAL A 27 -11.319 -5.765 4.514 1.00 1.00 H new ATOM 0 HA VAL A 27 -10.851 -3.063 3.625 1.00 1.00 H new ATOM 0 HB VAL A 27 -13.320 -4.801 3.724 1.00 1.00 H new ATOM 0 HG11 VAL A 27 -14.337 -3.246 2.110 1.00 1.00 H new ATOM 0 HG12 VAL A 27 -14.020 -2.462 3.676 1.00 1.00 H new ATOM 0 HG13 VAL A 27 -12.945 -2.151 2.292 1.00 1.00 H new ATOM 0 HG21 VAL A 27 -12.824 -4.933 1.231 1.00 1.00 H new ATOM 0 HG22 VAL A 27 -11.401 -3.895 1.485 1.00 1.00 H new ATOM 0 HG23 VAL A 27 -11.448 -5.529 2.190 1.00 1.00 H new ATOM 411 N ILE A 28 -11.884 -1.552 5.284 1.00 1.00 N ATOM 412 CA ILE A 28 -12.160 -0.572 6.361 1.00 1.00 C ATOM 413 C ILE A 28 -13.099 0.571 5.929 1.00 1.00 C ATOM 414 O ILE A 28 -13.679 1.249 6.778 1.00 1.00 O ATOM 415 CB ILE A 28 -10.842 -0.007 6.938 1.00 1.00 C ATOM 416 CG1 ILE A 28 -10.115 0.884 5.895 1.00 1.00 C ATOM 417 CG2 ILE A 28 -10.004 -1.157 7.530 1.00 1.00 C ATOM 418 CD1 ILE A 28 -8.589 0.816 5.868 1.00 1.00 C ATOM 0 H ILE A 28 -11.538 -1.107 4.434 1.00 1.00 H new ATOM 0 HA ILE A 28 -12.688 -1.121 7.141 1.00 1.00 H new ATOM 0 HB ILE A 28 -11.042 0.669 7.769 1.00 1.00 H new ATOM 0 HG12 ILE A 28 -10.484 0.616 4.905 1.00 1.00 H new ATOM 0 HG13 ILE A 28 -10.405 1.920 6.073 1.00 1.00 H new ATOM 0 HG21 ILE A 28 -9.075 -0.758 7.937 1.00 1.00 H new ATOM 0 HG22 ILE A 28 -10.567 -1.646 8.325 1.00 1.00 H new ATOM 0 HG23 ILE A 28 -9.776 -1.881 6.748 1.00 1.00 H new ATOM 0 HD11 ILE A 28 -8.209 1.485 5.096 1.00 1.00 H new ATOM 0 HD12 ILE A 28 -8.194 1.119 6.838 1.00 1.00 H new ATOM 0 HD13 ILE A 28 -8.274 -0.205 5.651 1.00 1.00 H new ATOM 430 N THR A 29 -13.301 0.737 4.619 1.00 1.00 N ATOM 431 CA THR A 29 -14.313 1.609 3.997 1.00 1.00 C ATOM 432 C THR A 29 -14.877 0.817 2.823 1.00 1.00 C ATOM 433 O THR A 29 -14.101 0.291 2.027 1.00 1.00 O ATOM 434 CB THR A 29 -13.721 2.948 3.519 1.00 1.00 C ATOM 435 OG1 THR A 29 -13.163 3.653 4.608 1.00 1.00 O ATOM 436 CG2 THR A 29 -14.766 3.863 2.877 1.00 1.00 C ATOM 0 H THR A 29 -12.738 0.245 3.926 1.00 1.00 H new ATOM 0 HA THR A 29 -15.084 1.875 4.721 1.00 1.00 H new ATOM 0 HB THR A 29 -12.966 2.692 2.776 1.00 1.00 H new ATOM 0 HG1 THR A 29 -12.421 4.209 4.292 1.00 1.00 H new ATOM 0 HG21 THR A 29 -14.291 4.791 2.560 1.00 1.00 H new ATOM 0 HG22 THR A 29 -15.203 3.365 2.012 1.00 1.00 H new ATOM 0 HG23 THR A 29 -15.549 4.085 3.602 1.00 1.00 H new ATOM 444 N ALA A 30 -16.202 0.682 2.743 1.00 1.00 N ATOM 445 CA ALA A 30 -16.877 -0.222 1.811 1.00 1.00 C ATOM 446 C ALA A 30 -16.482 0.011 0.340 1.00 1.00 C ATOM 447 O ALA A 30 -16.411 1.148 -0.129 1.00 1.00 O ATOM 448 CB ALA A 30 -18.391 -0.103 2.017 1.00 1.00 C ATOM 0 H ALA A 30 -16.847 1.207 3.334 1.00 1.00 H new ATOM 0 HA ALA A 30 -16.552 -1.239 2.031 1.00 1.00 H new ATOM 0 HB1 ALA A 30 -18.906 -0.772 1.328 1.00 1.00 H new ATOM 0 HB2 ALA A 30 -18.641 -0.376 3.042 1.00 1.00 H new ATOM 0 HB3 ALA A 30 -18.704 0.924 1.828 1.00 1.00 H new ATOM 454 N VAL A 31 -16.269 -1.087 -0.386 1.00 1.00 N ATOM 455 CA VAL A 31 -15.788 -1.131 -1.774 1.00 1.00 C ATOM 456 C VAL A 31 -16.888 -1.763 -2.643 1.00 1.00 C ATOM 457 O VAL A 31 -16.980 -2.990 -2.710 1.00 1.00 O ATOM 458 CB VAL A 31 -14.472 -1.937 -1.884 1.00 1.00 C ATOM 459 CG1 VAL A 31 -13.912 -1.855 -3.302 1.00 1.00 C ATOM 460 CG2 VAL A 31 -13.360 -1.480 -0.934 1.00 1.00 C ATOM 0 H VAL A 31 -16.435 -2.019 -0.006 1.00 1.00 H new ATOM 0 HA VAL A 31 -15.573 -0.120 -2.120 1.00 1.00 H new ATOM 0 HB VAL A 31 -14.754 -2.953 -1.607 1.00 1.00 H new ATOM 0 HG11 VAL A 31 -12.986 -2.427 -3.361 1.00 1.00 H new ATOM 0 HG12 VAL A 31 -14.638 -2.265 -4.004 1.00 1.00 H new ATOM 0 HG13 VAL A 31 -13.711 -0.814 -3.554 1.00 1.00 H new ATOM 0 HG21 VAL A 31 -12.477 -2.102 -1.082 1.00 1.00 H new ATOM 0 HG22 VAL A 31 -13.110 -0.439 -1.140 1.00 1.00 H new ATOM 0 HG23 VAL A 31 -13.701 -1.573 0.097 1.00 1.00 H new ATOM 470 N PRO A 32 -17.787 -0.972 -3.258 1.00 1.00 N ATOM 471 CA PRO A 32 -18.895 -1.514 -4.042 1.00 1.00 C ATOM 472 C PRO A 32 -18.447 -2.072 -5.404 1.00 1.00 C ATOM 473 O PRO A 32 -17.304 -1.898 -5.833 1.00 1.00 O ATOM 474 CB PRO A 32 -19.897 -0.363 -4.167 1.00 1.00 C ATOM 475 CG PRO A 32 -18.987 0.852 -4.181 1.00 1.00 C ATOM 476 CD PRO A 32 -17.872 0.480 -3.206 1.00 1.00 C ATOM 0 HA PRO A 32 -19.344 -2.378 -3.552 1.00 1.00 H new ATOM 0 HB2 PRO A 32 -20.491 -0.437 -5.078 1.00 1.00 H new ATOM 0 HB3 PRO A 32 -20.596 -0.339 -3.331 1.00 1.00 H new ATOM 0 HG2 PRO A 32 -18.597 1.049 -5.180 1.00 1.00 H new ATOM 0 HG3 PRO A 32 -19.514 1.751 -3.862 1.00 1.00 H new ATOM 0 HD2 PRO A 32 -16.927 0.940 -3.495 1.00 1.00 H new ATOM 0 HD3 PRO A 32 -18.100 0.825 -2.197 1.00 1.00 H new ATOM 484 N VAL A 33 -19.390 -2.723 -6.096 1.00 1.00 N ATOM 485 CA VAL A 33 -19.172 -3.522 -7.319 1.00 1.00 C ATOM 486 C VAL A 33 -18.443 -2.797 -8.460 1.00 1.00 C ATOM 487 O VAL A 33 -17.768 -3.437 -9.265 1.00 1.00 O ATOM 488 CB VAL A 33 -20.509 -4.099 -7.845 1.00 1.00 C ATOM 489 CG1 VAL A 33 -21.258 -4.922 -6.790 1.00 1.00 C ATOM 490 CG2 VAL A 33 -21.480 -3.023 -8.353 1.00 1.00 C ATOM 0 H VAL A 33 -20.369 -2.710 -5.811 1.00 1.00 H new ATOM 0 HA VAL A 33 -18.502 -4.321 -7.001 1.00 1.00 H new ATOM 0 HB VAL A 33 -20.203 -4.737 -8.674 1.00 1.00 H new ATOM 0 HG11 VAL A 33 -22.187 -5.301 -7.216 1.00 1.00 H new ATOM 0 HG12 VAL A 33 -20.636 -5.759 -6.473 1.00 1.00 H new ATOM 0 HG13 VAL A 33 -21.484 -4.292 -5.930 1.00 1.00 H new ATOM 0 HG21 VAL A 33 -22.396 -3.497 -8.707 1.00 1.00 H new ATOM 0 HG22 VAL A 33 -21.717 -2.335 -7.542 1.00 1.00 H new ATOM 0 HG23 VAL A 33 -21.017 -2.472 -9.172 1.00 1.00 H new ATOM 500 N ASP A 34 -18.566 -1.473 -8.536 1.00 1.00 N ATOM 501 CA ASP A 34 -17.979 -0.617 -9.578 1.00 1.00 C ATOM 502 C ASP A 34 -17.482 0.721 -8.984 1.00 1.00 C ATOM 503 O ASP A 34 -17.532 1.769 -9.633 1.00 1.00 O ATOM 504 CB ASP A 34 -19.020 -0.442 -10.702 1.00 1.00 C ATOM 505 CG ASP A 34 -18.458 0.247 -11.953 1.00 1.00 C ATOM 506 OD1 ASP A 34 -17.357 -0.152 -12.405 1.00 1.00 O ATOM 507 OD2 ASP A 34 -19.147 1.150 -12.488 1.00 1.00 O ATOM 0 H ASP A 34 -19.098 -0.941 -7.847 1.00 1.00 H new ATOM 0 HA ASP A 34 -17.092 -1.084 -10.006 1.00 1.00 H new ATOM 0 HB2 ASP A 34 -19.411 -1.421 -10.980 1.00 1.00 H new ATOM 0 HB3 ASP A 34 -19.859 0.140 -10.322 1.00 1.00 H new ATOM 512 N GLY A 35 -17.042 0.693 -7.719 1.00 1.00 N ATOM 513 CA GLY A 35 -16.646 1.879 -6.946 1.00 1.00 C ATOM 514 C GLY A 35 -15.402 1.675 -6.075 1.00 1.00 C ATOM 515 O GLY A 35 -14.641 0.722 -6.260 1.00 1.00 O ATOM 0 H GLY A 35 -16.949 -0.175 -7.192 1.00 1.00 H new ATOM 0 HA2 GLY A 35 -16.462 2.703 -7.635 1.00 1.00 H new ATOM 0 HA3 GLY A 35 -17.478 2.177 -6.308 1.00 1.00 H new ATOM 519 N PHE A 36 -15.206 2.584 -5.116 1.00 1.00 N ATOM 520 CA PHE A 36 -13.983 2.710 -4.316 1.00 1.00 C ATOM 521 C PHE A 36 -14.275 2.742 -2.808 1.00 1.00 C ATOM 522 O PHE A 36 -15.269 3.318 -2.360 1.00 1.00 O ATOM 523 CB PHE A 36 -13.213 3.990 -4.690 1.00 1.00 C ATOM 524 CG PHE A 36 -12.884 4.194 -6.160 1.00 1.00 C ATOM 525 CD1 PHE A 36 -13.870 4.665 -7.049 1.00 1.00 C ATOM 526 CD2 PHE A 36 -11.578 3.960 -6.633 1.00 1.00 C ATOM 527 CE1 PHE A 36 -13.565 4.859 -8.408 1.00 1.00 C ATOM 528 CE2 PHE A 36 -11.270 4.165 -7.991 1.00 1.00 C ATOM 529 CZ PHE A 36 -12.265 4.607 -8.880 1.00 1.00 C ATOM 0 H PHE A 36 -15.915 3.274 -4.867 1.00 1.00 H new ATOM 0 HA PHE A 36 -13.381 1.829 -4.538 1.00 1.00 H new ATOM 0 HB2 PHE A 36 -13.796 4.847 -4.351 1.00 1.00 H new ATOM 0 HB3 PHE A 36 -12.278 3.999 -4.129 1.00 1.00 H new ATOM 0 HD1 PHE A 36 -14.864 4.878 -6.685 1.00 1.00 H new ATOM 0 HD2 PHE A 36 -10.811 3.622 -5.952 1.00 1.00 H new ATOM 0 HE1 PHE A 36 -14.330 5.202 -9.089 1.00 1.00 H new ATOM 0 HE2 PHE A 36 -10.268 3.982 -8.350 1.00 1.00 H new ATOM 0 HZ PHE A 36 -12.031 4.753 -9.924 1.00 1.00 H new ATOM 539 N GLY A 37 -13.359 2.160 -2.036 1.00 1.00 N ATOM 540 CA GLY A 37 -13.293 2.211 -0.573 1.00 1.00 C ATOM 541 C GLY A 37 -11.838 2.120 -0.108 1.00 1.00 C ATOM 542 O GLY A 37 -10.951 2.664 -0.765 1.00 1.00 O ATOM 0 H GLY A 37 -12.599 1.609 -2.435 1.00 1.00 H new ATOM 0 HA2 GLY A 37 -13.740 3.138 -0.213 1.00 1.00 H new ATOM 0 HA3 GLY A 37 -13.871 1.391 -0.146 1.00 1.00 H new ATOM 546 N GLU A 38 -11.570 1.445 1.010 1.00 1.00 N ATOM 547 CA GLU A 38 -10.227 1.352 1.611 1.00 1.00 C ATOM 548 C GLU A 38 -9.946 -0.017 2.246 1.00 1.00 C ATOM 549 O GLU A 38 -10.855 -0.713 2.703 1.00 1.00 O ATOM 550 CB GLU A 38 -10.035 2.434 2.688 1.00 1.00 C ATOM 551 CG GLU A 38 -9.908 3.861 2.149 1.00 1.00 C ATOM 552 CD GLU A 38 -9.771 4.864 3.298 1.00 1.00 C ATOM 553 OE1 GLU A 38 -8.629 5.055 3.783 1.00 1.00 O ATOM 554 OE2 GLU A 38 -10.812 5.441 3.698 1.00 1.00 O ATOM 0 H GLU A 38 -12.284 0.939 1.535 1.00 1.00 H new ATOM 0 HA GLU A 38 -9.525 1.498 0.790 1.00 1.00 H new ATOM 0 HB2 GLU A 38 -10.879 2.395 3.377 1.00 1.00 H new ATOM 0 HB3 GLU A 38 -9.141 2.198 3.265 1.00 1.00 H new ATOM 0 HG2 GLU A 38 -9.040 3.931 1.493 1.00 1.00 H new ATOM 0 HG3 GLU A 38 -10.783 4.107 1.547 1.00 1.00 H new ATOM 561 N VAL A 39 -8.661 -0.363 2.331 1.00 1.00 N ATOM 562 CA VAL A 39 -8.126 -1.645 2.818 1.00 1.00 C ATOM 563 C VAL A 39 -6.798 -1.450 3.569 1.00 1.00 C ATOM 564 O VAL A 39 -6.082 -0.476 3.343 1.00 1.00 O ATOM 565 CB VAL A 39 -7.958 -2.599 1.612 1.00 1.00 C ATOM 566 CG1 VAL A 39 -6.771 -2.220 0.717 1.00 1.00 C ATOM 567 CG2 VAL A 39 -7.820 -4.068 2.011 1.00 1.00 C ATOM 0 H VAL A 39 -7.919 0.277 2.047 1.00 1.00 H new ATOM 0 HA VAL A 39 -8.824 -2.082 3.532 1.00 1.00 H new ATOM 0 HB VAL A 39 -8.885 -2.480 1.051 1.00 1.00 H new ATOM 0 HG11 VAL A 39 -6.702 -2.924 -0.113 1.00 1.00 H new ATOM 0 HG12 VAL A 39 -6.916 -1.213 0.327 1.00 1.00 H new ATOM 0 HG13 VAL A 39 -5.850 -2.254 1.300 1.00 1.00 H new ATOM 0 HG21 VAL A 39 -7.706 -4.679 1.116 1.00 1.00 H new ATOM 0 HG22 VAL A 39 -6.944 -4.191 2.648 1.00 1.00 H new ATOM 0 HG23 VAL A 39 -8.711 -4.383 2.554 1.00 1.00 H new ATOM 577 N VAL A 40 -6.448 -2.410 4.425 1.00 1.00 N ATOM 578 CA VAL A 40 -5.136 -2.556 5.096 1.00 1.00 C ATOM 579 C VAL A 40 -4.636 -3.985 4.877 1.00 1.00 C ATOM 580 O VAL A 40 -5.451 -4.903 4.863 1.00 1.00 O ATOM 581 CB VAL A 40 -5.198 -2.327 6.628 1.00 1.00 C ATOM 582 CG1 VAL A 40 -3.848 -1.814 7.138 1.00 1.00 C ATOM 583 CG2 VAL A 40 -6.266 -1.337 7.080 1.00 1.00 C ATOM 0 H VAL A 40 -7.098 -3.150 4.689 1.00 1.00 H new ATOM 0 HA VAL A 40 -4.478 -1.801 4.666 1.00 1.00 H new ATOM 0 HB VAL A 40 -5.455 -3.300 7.046 1.00 1.00 H new ATOM 0 HG11 VAL A 40 -3.902 -1.656 8.215 1.00 1.00 H new ATOM 0 HG12 VAL A 40 -3.073 -2.548 6.917 1.00 1.00 H new ATOM 0 HG13 VAL A 40 -3.607 -0.872 6.645 1.00 1.00 H new ATOM 0 HG21 VAL A 40 -6.236 -1.240 8.165 1.00 1.00 H new ATOM 0 HG22 VAL A 40 -6.078 -0.365 6.623 1.00 1.00 H new ATOM 0 HG23 VAL A 40 -7.248 -1.697 6.775 1.00 1.00 H new ATOM 593 N ILE A 41 -3.329 -4.216 4.737 1.00 1.00 N ATOM 594 CA ILE A 41 -2.768 -5.585 4.737 1.00 1.00 C ATOM 595 C ILE A 41 -2.836 -6.179 6.155 1.00 1.00 C ATOM 596 O ILE A 41 -2.751 -5.453 7.145 1.00 1.00 O ATOM 597 CB ILE A 41 -1.332 -5.562 4.168 1.00 1.00 C ATOM 598 CG1 ILE A 41 -1.327 -5.144 2.684 1.00 1.00 C ATOM 599 CG2 ILE A 41 -0.560 -6.886 4.322 1.00 1.00 C ATOM 600 CD1 ILE A 41 -2.101 -6.038 1.709 1.00 1.00 C ATOM 0 H ILE A 41 -2.633 -3.479 4.622 1.00 1.00 H new ATOM 0 HA ILE A 41 -3.360 -6.233 4.090 1.00 1.00 H new ATOM 0 HB ILE A 41 -0.810 -4.822 4.774 1.00 1.00 H new ATOM 0 HG12 ILE A 41 -1.733 -4.135 2.614 1.00 1.00 H new ATOM 0 HG13 ILE A 41 -0.291 -5.094 2.349 1.00 1.00 H new ATOM 0 HG21 ILE A 41 0.437 -6.778 3.895 1.00 1.00 H new ATOM 0 HG22 ILE A 41 -0.477 -7.138 5.379 1.00 1.00 H new ATOM 0 HG23 ILE A 41 -1.093 -7.681 3.801 1.00 1.00 H new ATOM 0 HD11 ILE A 41 -2.018 -5.634 0.700 1.00 1.00 H new ATOM 0 HD12 ILE A 41 -1.686 -7.046 1.732 1.00 1.00 H new ATOM 0 HD13 ILE A 41 -3.151 -6.071 2.001 1.00 1.00 H new ATOM 612 N GLU A 42 -2.990 -7.503 6.254 1.00 1.00 N ATOM 613 CA GLU A 42 -3.288 -8.249 7.497 1.00 1.00 C ATOM 614 C GLU A 42 -2.287 -8.075 8.662 1.00 1.00 C ATOM 615 O GLU A 42 -2.632 -8.369 9.807 1.00 1.00 O ATOM 616 CB GLU A 42 -3.453 -9.746 7.168 1.00 1.00 C ATOM 617 CG GLU A 42 -4.819 -10.095 6.559 1.00 1.00 C ATOM 618 CD GLU A 42 -5.926 -10.160 7.619 1.00 1.00 C ATOM 619 OE1 GLU A 42 -6.540 -9.103 7.891 1.00 1.00 O ATOM 620 OE2 GLU A 42 -6.158 -11.267 8.162 1.00 1.00 O ATOM 0 H GLU A 42 -2.909 -8.116 5.443 1.00 1.00 H new ATOM 0 HA GLU A 42 -4.212 -7.807 7.870 1.00 1.00 H new ATOM 0 HB2 GLU A 42 -2.668 -10.045 6.474 1.00 1.00 H new ATOM 0 HB3 GLU A 42 -3.312 -10.327 8.079 1.00 1.00 H new ATOM 0 HG2 GLU A 42 -5.081 -9.350 5.808 1.00 1.00 H new ATOM 0 HG3 GLU A 42 -4.752 -11.055 6.047 1.00 1.00 H new ATOM 681 N ILE A 48 -0.059 -0.274 6.612 1.00 1.00 N ATOM 682 CA ILE A 48 -0.591 1.069 6.307 1.00 1.00 C ATOM 683 C ILE A 48 -1.798 0.951 5.360 1.00 1.00 C ATOM 684 O ILE A 48 -1.767 0.190 4.390 1.00 1.00 O ATOM 685 CB ILE A 48 0.533 1.958 5.708 1.00 1.00 C ATOM 686 CG1 ILE A 48 1.688 2.145 6.726 1.00 1.00 C ATOM 687 CG2 ILE A 48 -0.012 3.327 5.257 1.00 1.00 C ATOM 688 CD1 ILE A 48 2.895 2.933 6.199 1.00 1.00 C ATOM 0 HA ILE A 48 -0.937 1.547 7.224 1.00 1.00 H new ATOM 0 HB ILE A 48 0.923 1.446 4.829 1.00 1.00 H new ATOM 0 HG12 ILE A 48 1.297 2.654 7.607 1.00 1.00 H new ATOM 0 HG13 ILE A 48 2.029 1.162 7.051 1.00 1.00 H new ATOM 0 HG21 ILE A 48 0.801 3.924 4.843 1.00 1.00 H new ATOM 0 HG22 ILE A 48 -0.779 3.181 4.496 1.00 1.00 H new ATOM 0 HG23 ILE A 48 -0.444 3.846 6.112 1.00 1.00 H new ATOM 0 HD11 ILE A 48 3.649 3.011 6.982 1.00 1.00 H new ATOM 0 HD12 ILE A 48 3.319 2.417 5.338 1.00 1.00 H new ATOM 0 HD13 ILE A 48 2.576 3.932 5.902 1.00 1.00 H new ATOM 700 N SER A 49 -2.866 1.702 5.648 1.00 1.00 N ATOM 701 CA SER A 49 -4.109 1.737 4.860 1.00 1.00 C ATOM 702 C SER A 49 -3.918 2.347 3.463 1.00 1.00 C ATOM 703 O SER A 49 -3.118 3.269 3.287 1.00 1.00 O ATOM 704 CB SER A 49 -5.167 2.582 5.584 1.00 1.00 C ATOM 705 OG SER A 49 -5.329 2.153 6.927 1.00 1.00 O ATOM 0 H SER A 49 -2.893 2.321 6.458 1.00 1.00 H new ATOM 0 HA SER A 49 -4.423 0.699 4.750 1.00 1.00 H new ATOM 0 HB2 SER A 49 -4.873 3.632 5.567 1.00 1.00 H new ATOM 0 HB3 SER A 49 -6.119 2.509 5.058 1.00 1.00 H new ATOM 0 HG SER A 49 -6.006 2.707 7.368 1.00 1.00 H new ATOM 711 N LYS A 50 -4.709 1.892 2.484 1.00 1.00 N ATOM 712 CA LYS A 50 -4.729 2.376 1.088 1.00 1.00 C ATOM 713 C LYS A 50 -6.154 2.379 0.518 1.00 1.00 C ATOM 714 O LYS A 50 -7.032 1.685 1.035 1.00 1.00 O ATOM 715 CB LYS A 50 -3.853 1.462 0.207 1.00 1.00 C ATOM 716 CG LYS A 50 -2.370 1.328 0.598 1.00 1.00 C ATOM 717 CD LYS A 50 -1.568 2.612 0.349 1.00 1.00 C ATOM 718 CE LYS A 50 -0.118 2.404 0.792 1.00 1.00 C ATOM 719 NZ LYS A 50 0.709 3.588 0.484 1.00 1.00 N ATOM 0 H LYS A 50 -5.384 1.144 2.644 1.00 1.00 H new ATOM 0 HA LYS A 50 -4.344 3.396 1.086 1.00 1.00 H new ATOM 0 HB2 LYS A 50 -4.295 0.466 0.208 1.00 1.00 H new ATOM 0 HB3 LYS A 50 -3.901 1.831 -0.817 1.00 1.00 H new ATOM 0 HG2 LYS A 50 -2.300 1.061 1.652 1.00 1.00 H new ATOM 0 HG3 LYS A 50 -1.923 0.511 0.032 1.00 1.00 H new ATOM 0 HD2 LYS A 50 -1.602 2.875 -0.708 1.00 1.00 H new ATOM 0 HD3 LYS A 50 -2.011 3.442 0.898 1.00 1.00 H new ATOM 0 HE2 LYS A 50 -0.087 2.204 1.863 1.00 1.00 H new ATOM 0 HE3 LYS A 50 0.296 1.528 0.292 1.00 1.00 H new ATOM 0 HZ1 LYS A 50 1.687 3.419 0.795 1.00 1.00 H new ATOM 0 HZ2 LYS A 50 0.697 3.763 -0.541 1.00 1.00 H new ATOM 0 HZ3 LYS A 50 0.326 4.418 0.981 1.00 1.00 H new ATOM 733 N SER A 51 -6.379 3.120 -0.567 1.00 1.00 N ATOM 734 CA SER A 51 -7.624 3.057 -1.353 1.00 1.00 C ATOM 735 C SER A 51 -7.758 1.708 -2.067 1.00 1.00 C ATOM 736 O SER A 51 -6.755 1.080 -2.411 1.00 1.00 O ATOM 737 CB SER A 51 -7.671 4.189 -2.387 1.00 1.00 C ATOM 738 OG SER A 51 -7.588 5.451 -1.742 1.00 1.00 O ATOM 0 H SER A 51 -5.701 3.788 -0.933 1.00 1.00 H new ATOM 0 HA SER A 51 -8.456 3.171 -0.658 1.00 1.00 H new ATOM 0 HB2 SER A 51 -6.848 4.079 -3.093 1.00 1.00 H new ATOM 0 HB3 SER A 51 -8.595 4.127 -2.962 1.00 1.00 H new ATOM 0 HG SER A 51 -7.617 6.164 -2.414 1.00 1.00 H new ATOM 744 N ALA A 52 -8.993 1.269 -2.313 1.00 1.00 N ATOM 745 CA ALA A 52 -9.291 -0.057 -2.861 1.00 1.00 C ATOM 746 C ALA A 52 -10.471 -0.067 -3.856 1.00 1.00 C ATOM 747 O ALA A 52 -11.426 0.692 -3.685 1.00 1.00 O ATOM 748 CB ALA A 52 -9.566 -1.005 -1.686 1.00 1.00 C ATOM 0 H ALA A 52 -9.826 1.831 -2.135 1.00 1.00 H new ATOM 0 HA ALA A 52 -8.427 -0.385 -3.439 1.00 1.00 H new ATOM 0 HB1 ALA A 52 -9.791 -2.001 -2.067 1.00 1.00 H new ATOM 0 HB2 ALA A 52 -8.687 -1.052 -1.043 1.00 1.00 H new ATOM 0 HB3 ALA A 52 -10.416 -0.636 -1.112 1.00 1.00 H new ATOM 754 N VAL A 53 -10.433 -0.978 -4.839 1.00 1.00 N ATOM 755 CA VAL A 53 -11.510 -1.275 -5.816 1.00 1.00 C ATOM 756 C VAL A 53 -11.823 -2.776 -5.886 1.00 1.00 C ATOM 757 O VAL A 53 -10.949 -3.609 -5.635 1.00 1.00 O ATOM 758 CB VAL A 53 -11.186 -0.754 -7.234 1.00 1.00 C ATOM 759 CG1 VAL A 53 -11.060 0.769 -7.241 1.00 1.00 C ATOM 760 CG2 VAL A 53 -9.922 -1.354 -7.870 1.00 1.00 C ATOM 0 H VAL A 53 -9.610 -1.562 -4.988 1.00 1.00 H new ATOM 0 HA VAL A 53 -12.389 -0.745 -5.449 1.00 1.00 H new ATOM 0 HB VAL A 53 -12.031 -1.081 -7.841 1.00 1.00 H new ATOM 0 HG11 VAL A 53 -10.832 1.111 -8.251 1.00 1.00 H new ATOM 0 HG12 VAL A 53 -11.999 1.213 -6.911 1.00 1.00 H new ATOM 0 HG13 VAL A 53 -10.259 1.071 -6.566 1.00 1.00 H new ATOM 0 HG21 VAL A 53 -9.777 -0.928 -8.863 1.00 1.00 H new ATOM 0 HG22 VAL A 53 -9.057 -1.125 -7.247 1.00 1.00 H new ATOM 0 HG23 VAL A 53 -10.034 -2.435 -7.952 1.00 1.00 H new ATOM 770 N SER A 54 -13.064 -3.141 -6.236 1.00 1.00 N ATOM 771 CA SER A 54 -13.517 -4.535 -6.322 1.00 1.00 C ATOM 772 C SER A 54 -13.179 -5.145 -7.683 1.00 1.00 C ATOM 773 O SER A 54 -13.837 -4.865 -8.689 1.00 1.00 O ATOM 774 CB SER A 54 -15.018 -4.609 -6.057 1.00 1.00 C ATOM 775 OG SER A 54 -15.411 -5.960 -5.944 1.00 1.00 O ATOM 0 H SER A 54 -13.792 -2.466 -6.471 1.00 1.00 H new ATOM 0 HA SER A 54 -12.993 -5.115 -5.562 1.00 1.00 H new ATOM 0 HB2 SER A 54 -15.263 -4.070 -5.142 1.00 1.00 H new ATOM 0 HB3 SER A 54 -15.565 -4.127 -6.867 1.00 1.00 H new ATOM 0 HG SER A 54 -16.228 -6.019 -5.406 1.00 1.00 H new ATOM 781 N PHE A 55 -12.132 -5.972 -7.732 1.00 1.00 N ATOM 782 CA PHE A 55 -11.681 -6.622 -8.969 1.00 1.00 C ATOM 783 C PHE A 55 -12.693 -7.643 -9.516 1.00 1.00 C ATOM 784 O PHE A 55 -12.818 -7.820 -10.729 1.00 1.00 O ATOM 785 CB PHE A 55 -10.337 -7.305 -8.712 1.00 1.00 C ATOM 786 CG PHE A 55 -9.651 -7.775 -9.984 1.00 1.00 C ATOM 787 CD1 PHE A 55 -8.910 -6.863 -10.761 1.00 1.00 C ATOM 788 CD2 PHE A 55 -9.757 -9.119 -10.396 1.00 1.00 C ATOM 789 CE1 PHE A 55 -8.274 -7.294 -11.939 1.00 1.00 C ATOM 790 CE2 PHE A 55 -9.117 -9.550 -11.572 1.00 1.00 C ATOM 791 CZ PHE A 55 -8.374 -8.638 -12.343 1.00 1.00 C ATOM 0 H PHE A 55 -11.571 -6.211 -6.915 1.00 1.00 H new ATOM 0 HA PHE A 55 -11.581 -5.847 -9.729 1.00 1.00 H new ATOM 0 HB2 PHE A 55 -9.679 -6.612 -8.187 1.00 1.00 H new ATOM 0 HB3 PHE A 55 -10.491 -8.160 -8.053 1.00 1.00 H new ATOM 0 HD1 PHE A 55 -8.830 -5.831 -10.452 1.00 1.00 H new ATOM 0 HD2 PHE A 55 -10.331 -9.819 -9.807 1.00 1.00 H new ATOM 0 HE1 PHE A 55 -7.708 -6.593 -12.534 1.00 1.00 H new ATOM 0 HE2 PHE A 55 -9.196 -10.581 -11.883 1.00 1.00 H new ATOM 0 HZ PHE A 55 -7.880 -8.969 -13.245 1.00 1.00 H new ATOM 801 N ASP A 56 -13.440 -8.298 -8.623 1.00 1.00 N ATOM 802 CA ASP A 56 -14.384 -9.374 -8.949 1.00 1.00 C ATOM 803 C ASP A 56 -15.835 -8.868 -9.115 1.00 1.00 C ATOM 804 O ASP A 56 -16.770 -9.669 -9.175 1.00 1.00 O ATOM 805 CB ASP A 56 -14.242 -10.470 -7.879 1.00 1.00 C ATOM 806 CG ASP A 56 -14.956 -11.778 -8.251 1.00 1.00 C ATOM 807 OD1 ASP A 56 -14.646 -12.327 -9.335 1.00 1.00 O ATOM 808 OD2 ASP A 56 -15.791 -12.247 -7.441 1.00 1.00 O ATOM 0 H ASP A 56 -13.405 -8.090 -7.625 1.00 1.00 H new ATOM 0 HA ASP A 56 -14.139 -9.793 -9.925 1.00 1.00 H new ATOM 0 HB2 ASP A 56 -13.184 -10.675 -7.717 1.00 1.00 H new ATOM 0 HB3 ASP A 56 -14.643 -10.101 -6.935 1.00 1.00 H new ATOM 813 N ASN A 57 -16.032 -7.544 -9.196 1.00 1.00 N ATOM 814 CA ASN A 57 -17.333 -6.877 -9.342 1.00 1.00 C ATOM 815 C ASN A 57 -18.332 -7.264 -8.223 1.00 1.00 C ATOM 816 O ASN A 57 -19.510 -7.521 -8.468 1.00 1.00 O ATOM 817 CB ASN A 57 -17.809 -7.084 -10.801 1.00 1.00 C ATOM 818 CG ASN A 57 -19.100 -6.378 -11.191 1.00 1.00 C ATOM 819 OD1 ASN A 57 -20.069 -6.992 -11.618 1.00 1.00 O ATOM 820 ND2 ASN A 57 -19.154 -5.067 -11.121 1.00 1.00 N ATOM 0 H ASN A 57 -15.257 -6.882 -9.160 1.00 1.00 H new ATOM 0 HA ASN A 57 -17.247 -5.801 -9.187 1.00 1.00 H new ATOM 0 HB2 ASN A 57 -17.018 -6.747 -11.471 1.00 1.00 H new ATOM 0 HB3 ASN A 57 -17.938 -8.153 -10.972 1.00 1.00 H new ATOM 0 HD21 ASN A 57 -19.996 -4.575 -11.420 1.00 1.00 H new ATOM 0 HD22 ASN A 57 -18.354 -4.542 -10.767 1.00 1.00 H new ATOM 827 N GLN A 58 -17.839 -7.308 -6.978 1.00 1.00 N ATOM 828 CA GLN A 58 -18.595 -7.653 -5.761 1.00 1.00 C ATOM 829 C GLN A 58 -18.682 -6.458 -4.800 1.00 1.00 C ATOM 830 O GLN A 58 -17.812 -5.588 -4.809 1.00 1.00 O ATOM 831 CB GLN A 58 -17.924 -8.827 -5.023 1.00 1.00 C ATOM 832 CG GLN A 58 -17.727 -10.098 -5.859 1.00 1.00 C ATOM 833 CD GLN A 58 -19.014 -10.620 -6.499 1.00 1.00 C ATOM 834 OE1 GLN A 58 -20.009 -10.887 -5.837 1.00 1.00 O ATOM 835 NE2 GLN A 58 -19.051 -10.778 -7.804 1.00 1.00 N ATOM 0 H GLN A 58 -16.861 -7.096 -6.780 1.00 1.00 H new ATOM 0 HA GLN A 58 -19.600 -7.935 -6.075 1.00 1.00 H new ATOM 0 HB2 GLN A 58 -16.951 -8.497 -4.658 1.00 1.00 H new ATOM 0 HB3 GLN A 58 -18.525 -9.076 -4.148 1.00 1.00 H new ATOM 0 HG2 GLN A 58 -16.998 -9.896 -6.644 1.00 1.00 H new ATOM 0 HG3 GLN A 58 -17.305 -10.878 -5.224 1.00 1.00 H new ATOM 0 HE21 GLN A 58 -18.229 -10.559 -8.368 1.00 1.00 H new ATOM 0 HE22 GLN A 58 -19.901 -11.119 -8.253 1.00 1.00 H new ATOM 844 N GLN A 59 -19.702 -6.418 -3.944 1.00 1.00 N ATOM 845 CA GLN A 59 -19.816 -5.402 -2.893 1.00 1.00 C ATOM 846 C GLN A 59 -19.077 -5.903 -1.640 1.00 1.00 C ATOM 847 O GLN A 59 -19.433 -6.940 -1.075 1.00 1.00 O ATOM 848 CB GLN A 59 -21.306 -5.090 -2.642 1.00 1.00 C ATOM 849 CG GLN A 59 -21.569 -3.719 -1.991 1.00 1.00 C ATOM 850 CD GLN A 59 -20.974 -3.580 -0.591 1.00 1.00 C ATOM 851 OE1 GLN A 59 -19.998 -2.876 -0.373 1.00 1.00 O ATOM 852 NE2 GLN A 59 -21.519 -4.263 0.391 1.00 1.00 N ATOM 0 H GLN A 59 -20.472 -7.086 -3.957 1.00 1.00 H new ATOM 0 HA GLN A 59 -19.348 -4.464 -3.192 1.00 1.00 H new ATOM 0 HB2 GLN A 59 -21.839 -5.136 -3.592 1.00 1.00 H new ATOM 0 HB3 GLN A 59 -21.725 -5.868 -2.004 1.00 1.00 H new ATOM 0 HG2 GLN A 59 -21.157 -2.938 -2.630 1.00 1.00 H new ATOM 0 HG3 GLN A 59 -22.645 -3.553 -1.937 1.00 1.00 H new ATOM 0 HE21 GLN A 59 -22.333 -4.851 0.213 1.00 1.00 H new ATOM 0 HE22 GLN A 59 -21.128 -4.205 1.331 1.00 1.00 H new ATOM 861 N ILE A 60 -18.037 -5.180 -1.216 1.00 1.00 N ATOM 862 CA ILE A 60 -17.122 -5.565 -0.133 1.00 1.00 C ATOM 863 C ILE A 60 -17.279 -4.588 1.037 1.00 1.00 C ATOM 864 O ILE A 60 -16.659 -3.525 1.074 1.00 1.00 O ATOM 865 CB ILE A 60 -15.649 -5.695 -0.608 1.00 1.00 C ATOM 866 CG1 ILE A 60 -15.483 -6.180 -2.071 1.00 1.00 C ATOM 867 CG2 ILE A 60 -14.949 -6.642 0.373 1.00 1.00 C ATOM 868 CD1 ILE A 60 -14.027 -6.272 -2.548 1.00 1.00 C ATOM 0 H ILE A 60 -17.799 -4.279 -1.630 1.00 1.00 H new ATOM 0 HA ILE A 60 -17.395 -6.563 0.209 1.00 1.00 H new ATOM 0 HB ILE A 60 -15.198 -4.703 -0.611 1.00 1.00 H new ATOM 0 HG12 ILE A 60 -15.948 -7.161 -2.170 1.00 1.00 H new ATOM 0 HG13 ILE A 60 -16.026 -5.502 -2.729 1.00 1.00 H new ATOM 0 HG21 ILE A 60 -13.907 -6.765 0.079 1.00 1.00 H new ATOM 0 HG22 ILE A 60 -14.996 -6.224 1.378 1.00 1.00 H new ATOM 0 HG23 ILE A 60 -15.446 -7.612 0.360 1.00 1.00 H new ATOM 0 HD11 ILE A 60 -14.004 -6.619 -3.581 1.00 1.00 H new ATOM 0 HD12 ILE A 60 -13.561 -5.289 -2.485 1.00 1.00 H new ATOM 0 HD13 ILE A 60 -13.481 -6.974 -1.917 1.00 1.00 H new ATOM 880 N SER A 61 -18.160 -4.929 1.978 1.00 1.00 N ATOM 881 CA SER A 61 -18.401 -4.158 3.206 1.00 1.00 C ATOM 882 C SER A 61 -17.186 -4.118 4.149 1.00 1.00 C ATOM 883 O SER A 61 -16.244 -4.905 4.028 1.00 1.00 O ATOM 884 CB SER A 61 -19.593 -4.759 3.964 1.00 1.00 C ATOM 885 OG SER A 61 -20.756 -4.740 3.153 1.00 1.00 O ATOM 0 H SER A 61 -18.740 -5.765 1.910 1.00 1.00 H new ATOM 0 HA SER A 61 -18.605 -3.134 2.894 1.00 1.00 H new ATOM 0 HB2 SER A 61 -19.365 -5.783 4.260 1.00 1.00 H new ATOM 0 HB3 SER A 61 -19.771 -4.195 4.880 1.00 1.00 H new ATOM 0 HG SER A 61 -20.809 -5.572 2.638 1.00 1.00 H new ATOM 891 N TYR A 62 -17.240 -3.217 5.137 1.00 1.00 N ATOM 892 CA TYR A 62 -16.304 -3.153 6.267 1.00 1.00 C ATOM 893 C TYR A 62 -16.144 -4.517 6.969 1.00 1.00 C ATOM 894 O TYR A 62 -17.121 -5.252 7.153 1.00 1.00 O ATOM 895 CB TYR A 62 -16.836 -2.103 7.263 1.00 1.00 C ATOM 896 CG TYR A 62 -16.163 -2.098 8.627 1.00 1.00 C ATOM 897 CD1 TYR A 62 -16.655 -2.916 9.664 1.00 1.00 C ATOM 898 CD2 TYR A 62 -15.039 -1.284 8.857 1.00 1.00 C ATOM 899 CE1 TYR A 62 -16.013 -2.937 10.919 1.00 1.00 C ATOM 900 CE2 TYR A 62 -14.393 -1.299 10.109 1.00 1.00 C ATOM 901 CZ TYR A 62 -14.876 -2.129 11.143 1.00 1.00 C ATOM 902 OH TYR A 62 -14.247 -2.139 12.351 1.00 1.00 O ATOM 0 H TYR A 62 -17.956 -2.492 5.174 1.00 1.00 H new ATOM 0 HA TYR A 62 -15.318 -2.876 5.895 1.00 1.00 H new ATOM 0 HB2 TYR A 62 -16.723 -1.115 6.817 1.00 1.00 H new ATOM 0 HB3 TYR A 62 -17.904 -2.269 7.404 1.00 1.00 H new ATOM 0 HD1 TYR A 62 -17.528 -3.530 9.496 1.00 1.00 H new ATOM 0 HD2 TYR A 62 -14.669 -0.644 8.070 1.00 1.00 H new ATOM 0 HE1 TYR A 62 -16.390 -3.570 11.708 1.00 1.00 H new ATOM 0 HE2 TYR A 62 -13.528 -0.675 10.277 1.00 1.00 H new ATOM 0 HH TYR A 62 -13.484 -1.525 12.327 1.00 1.00 H new ATOM 912 N GLY A 63 -14.924 -4.835 7.409 1.00 1.00 N ATOM 913 CA GLY A 63 -14.659 -5.979 8.285 1.00 1.00 C ATOM 914 C GLY A 63 -14.637 -7.355 7.609 1.00 1.00 C ATOM 915 O GLY A 63 -15.065 -8.328 8.233 1.00 1.00 O ATOM 0 H GLY A 63 -14.088 -4.303 7.166 1.00 1.00 H new ATOM 0 HA2 GLY A 63 -13.698 -5.821 8.774 1.00 1.00 H new ATOM 0 HA3 GLY A 63 -15.416 -5.994 9.069 1.00 1.00 H new ATOM 919 N THR A 64 -14.139 -7.467 6.369 1.00 1.00 N ATOM 920 CA THR A 64 -13.950 -8.770 5.693 1.00 1.00 C ATOM 921 C THR A 64 -12.543 -8.953 5.129 1.00 1.00 C ATOM 922 O THR A 64 -11.816 -7.983 4.893 1.00 1.00 O ATOM 923 CB THR A 64 -15.019 -9.019 4.616 1.00 1.00 C ATOM 924 OG1 THR A 64 -15.105 -10.408 4.384 1.00 1.00 O ATOM 925 CG2 THR A 64 -14.736 -8.341 3.279 1.00 1.00 C ATOM 0 H THR A 64 -13.856 -6.666 5.805 1.00 1.00 H new ATOM 0 HA THR A 64 -14.075 -9.527 6.468 1.00 1.00 H new ATOM 0 HB THR A 64 -15.945 -8.592 5.001 1.00 1.00 H new ATOM 0 HG1 THR A 64 -15.784 -10.584 3.700 1.00 1.00 H new ATOM 0 HG21 THR A 64 -15.539 -8.569 2.578 1.00 1.00 H new ATOM 0 HG22 THR A 64 -14.676 -7.262 3.424 1.00 1.00 H new ATOM 0 HG23 THR A 64 -13.790 -8.707 2.879 1.00 1.00 H new ATOM 933 N THR A 65 -12.156 -10.212 4.932 1.00 1.00 N ATOM 934 CA THR A 65 -10.814 -10.630 4.509 1.00 1.00 C ATOM 935 C THR A 65 -10.740 -10.739 2.988 1.00 1.00 C ATOM 936 O THR A 65 -11.520 -11.456 2.356 1.00 1.00 O ATOM 937 CB THR A 65 -10.436 -11.961 5.172 1.00 1.00 C ATOM 938 OG1 THR A 65 -10.571 -11.850 6.573 1.00 1.00 O ATOM 939 CG2 THR A 65 -8.986 -12.343 4.896 1.00 1.00 C ATOM 0 H THR A 65 -12.789 -11.000 5.067 1.00 1.00 H new ATOM 0 HA THR A 65 -10.097 -9.873 4.828 1.00 1.00 H new ATOM 0 HB THR A 65 -11.100 -12.720 4.758 1.00 1.00 H new ATOM 0 HG1 THR A 65 -10.331 -12.702 6.993 1.00 1.00 H new ATOM 0 HG21 THR A 65 -8.760 -13.291 5.384 1.00 1.00 H new ATOM 0 HG22 THR A 65 -8.834 -12.442 3.821 1.00 1.00 H new ATOM 0 HG23 THR A 65 -8.325 -11.569 5.286 1.00 1.00 H new ATOM 947 N VAL A 66 -9.768 -10.043 2.401 1.00 1.00 N ATOM 948 CA VAL A 66 -9.636 -9.823 0.952 1.00 1.00 C ATOM 949 C VAL A 66 -8.227 -10.131 0.452 1.00 1.00 C ATOM 950 O VAL A 66 -7.255 -9.897 1.158 1.00 1.00 O ATOM 951 CB VAL A 66 -10.018 -8.375 0.576 1.00 1.00 C ATOM 952 CG1 VAL A 66 -11.503 -8.082 0.799 1.00 1.00 C ATOM 953 CG2 VAL A 66 -9.231 -7.301 1.343 1.00 1.00 C ATOM 0 H VAL A 66 -9.021 -9.599 2.936 1.00 1.00 H new ATOM 0 HA VAL A 66 -10.325 -10.513 0.465 1.00 1.00 H new ATOM 0 HB VAL A 66 -9.766 -8.319 -0.483 1.00 1.00 H new ATOM 0 HG11 VAL A 66 -11.716 -7.051 0.519 1.00 1.00 H new ATOM 0 HG12 VAL A 66 -12.103 -8.756 0.187 1.00 1.00 H new ATOM 0 HG13 VAL A 66 -11.749 -8.231 1.850 1.00 1.00 H new ATOM 0 HG21 VAL A 66 -9.558 -6.312 1.022 1.00 1.00 H new ATOM 0 HG22 VAL A 66 -9.410 -7.413 2.412 1.00 1.00 H new ATOM 0 HG23 VAL A 66 -8.166 -7.415 1.139 1.00 1.00 H new ATOM 963 N LEU A 67 -8.089 -10.648 -0.766 1.00 1.00 N ATOM 964 CA LEU A 67 -6.793 -10.818 -1.438 1.00 1.00 C ATOM 965 C LEU A 67 -6.543 -9.631 -2.380 1.00 1.00 C ATOM 966 O LEU A 67 -7.414 -9.298 -3.188 1.00 1.00 O ATOM 967 CB LEU A 67 -6.819 -12.171 -2.175 1.00 1.00 C ATOM 968 CG LEU A 67 -5.558 -12.488 -3.001 1.00 1.00 C ATOM 969 CD1 LEU A 67 -4.309 -12.594 -2.122 1.00 1.00 C ATOM 970 CD2 LEU A 67 -5.742 -13.820 -3.727 1.00 1.00 C ATOM 0 H LEU A 67 -8.880 -10.966 -1.325 1.00 1.00 H new ATOM 0 HA LEU A 67 -5.967 -10.830 -0.726 1.00 1.00 H new ATOM 0 HB2 LEU A 67 -6.963 -12.964 -1.441 1.00 1.00 H new ATOM 0 HB3 LEU A 67 -7.684 -12.189 -2.839 1.00 1.00 H new ATOM 0 HG LEU A 67 -5.421 -11.670 -3.708 1.00 1.00 H new ATOM 0 HD11 LEU A 67 -3.443 -12.819 -2.745 1.00 1.00 H new ATOM 0 HD12 LEU A 67 -4.148 -11.649 -1.604 1.00 1.00 H new ATOM 0 HD13 LEU A 67 -4.446 -13.390 -1.390 1.00 1.00 H new ATOM 0 HD21 LEU A 67 -4.849 -14.043 -4.311 1.00 1.00 H new ATOM 0 HD22 LEU A 67 -5.905 -14.613 -2.997 1.00 1.00 H new ATOM 0 HD23 LEU A 67 -6.603 -13.756 -4.392 1.00 1.00 H new ATOM 982 N VAL A 68 -5.372 -8.986 -2.287 1.00 1.00 N ATOM 983 CA VAL A 68 -5.001 -7.832 -3.129 1.00 1.00 C ATOM 984 C VAL A 68 -4.484 -8.318 -4.492 1.00 1.00 C ATOM 985 O VAL A 68 -3.282 -8.407 -4.735 1.00 1.00 O ATOM 986 CB VAL A 68 -3.992 -6.902 -2.422 1.00 1.00 C ATOM 987 CG1 VAL A 68 -3.793 -5.621 -3.231 1.00 1.00 C ATOM 988 CG2 VAL A 68 -4.490 -6.500 -1.024 1.00 1.00 C ATOM 0 H VAL A 68 -4.647 -9.250 -1.620 1.00 1.00 H new ATOM 0 HA VAL A 68 -5.895 -7.232 -3.300 1.00 1.00 H new ATOM 0 HB VAL A 68 -3.055 -7.452 -2.336 1.00 1.00 H new ATOM 0 HG11 VAL A 68 -3.079 -4.975 -2.720 1.00 1.00 H new ATOM 0 HG12 VAL A 68 -3.412 -5.871 -4.221 1.00 1.00 H new ATOM 0 HG13 VAL A 68 -4.746 -5.101 -3.330 1.00 1.00 H new ATOM 0 HG21 VAL A 68 -3.758 -5.845 -0.551 1.00 1.00 H new ATOM 0 HG22 VAL A 68 -5.441 -5.976 -1.114 1.00 1.00 H new ATOM 0 HG23 VAL A 68 -4.624 -7.394 -0.415 1.00 1.00 H new ATOM 998 N VAL A 69 -5.408 -8.726 -5.364 1.00 1.00 N ATOM 999 CA VAL A 69 -5.127 -9.391 -6.649 1.00 1.00 C ATOM 1000 C VAL A 69 -4.315 -8.546 -7.643 1.00 1.00 C ATOM 1001 O VAL A 69 -3.515 -9.093 -8.402 1.00 1.00 O ATOM 1002 CB VAL A 69 -6.450 -9.884 -7.262 1.00 1.00 C ATOM 1003 CG1 VAL A 69 -7.372 -8.769 -7.750 1.00 1.00 C ATOM 1004 CG2 VAL A 69 -6.235 -10.892 -8.395 1.00 1.00 C ATOM 0 H VAL A 69 -6.406 -8.601 -5.195 1.00 1.00 H new ATOM 0 HA VAL A 69 -4.477 -10.239 -6.433 1.00 1.00 H new ATOM 0 HB VAL A 69 -6.949 -10.379 -6.429 1.00 1.00 H new ATOM 0 HG11 VAL A 69 -8.280 -9.204 -8.167 1.00 1.00 H new ATOM 0 HG12 VAL A 69 -7.631 -8.119 -6.914 1.00 1.00 H new ATOM 0 HG13 VAL A 69 -6.863 -8.186 -8.518 1.00 1.00 H new ATOM 0 HG21 VAL A 69 -7.201 -11.206 -8.791 1.00 1.00 H new ATOM 0 HG22 VAL A 69 -5.651 -10.427 -9.190 1.00 1.00 H new ATOM 0 HG23 VAL A 69 -5.700 -11.761 -8.012 1.00 1.00 H new ATOM 1014 N ASP A 70 -4.465 -7.218 -7.624 1.00 1.00 N ATOM 1015 CA ASP A 70 -3.702 -6.264 -8.445 1.00 1.00 C ATOM 1016 C ASP A 70 -3.514 -4.929 -7.701 1.00 1.00 C ATOM 1017 O ASP A 70 -4.166 -4.689 -6.688 1.00 1.00 O ATOM 1018 CB ASP A 70 -4.382 -6.063 -9.815 1.00 1.00 C ATOM 1019 CG ASP A 70 -4.130 -7.243 -10.759 1.00 1.00 C ATOM 1020 OD1 ASP A 70 -2.954 -7.423 -11.154 1.00 1.00 O ATOM 1021 OD2 ASP A 70 -5.106 -7.949 -11.103 1.00 1.00 O ATOM 0 H ASP A 70 -5.144 -6.759 -7.017 1.00 1.00 H new ATOM 0 HA ASP A 70 -2.710 -6.678 -8.626 1.00 1.00 H new ATOM 0 HB2 ASP A 70 -5.455 -5.936 -9.672 1.00 1.00 H new ATOM 0 HB3 ASP A 70 -4.011 -5.146 -10.273 1.00 1.00 H new ATOM 1026 N ILE A 71 -2.606 -4.063 -8.163 1.00 1.00 N ATOM 1027 CA ILE A 71 -2.226 -2.805 -7.488 1.00 1.00 C ATOM 1028 C ILE A 71 -1.913 -1.714 -8.528 1.00 1.00 C ATOM 1029 O ILE A 71 -1.269 -1.978 -9.545 1.00 1.00 O ATOM 1030 CB ILE A 71 -1.026 -3.054 -6.530 1.00 1.00 C ATOM 1031 CG1 ILE A 71 -1.436 -4.056 -5.424 1.00 1.00 C ATOM 1032 CG2 ILE A 71 -0.516 -1.753 -5.890 1.00 1.00 C ATOM 1033 CD1 ILE A 71 -0.461 -4.252 -4.266 1.00 1.00 C ATOM 0 H ILE A 71 -2.100 -4.215 -9.036 1.00 1.00 H new ATOM 0 HA ILE A 71 -3.063 -2.452 -6.885 1.00 1.00 H new ATOM 0 HB ILE A 71 -0.212 -3.469 -7.125 1.00 1.00 H new ATOM 0 HG12 ILE A 71 -2.391 -3.731 -5.011 1.00 1.00 H new ATOM 0 HG13 ILE A 71 -1.604 -5.026 -5.892 1.00 1.00 H new ATOM 0 HG21 ILE A 71 0.322 -1.977 -5.229 1.00 1.00 H new ATOM 0 HG22 ILE A 71 -0.189 -1.067 -6.671 1.00 1.00 H new ATOM 0 HG23 ILE A 71 -1.319 -1.292 -5.315 1.00 1.00 H new ATOM 0 HD11 ILE A 71 -0.871 -4.979 -3.564 1.00 1.00 H new ATOM 0 HD12 ILE A 71 0.492 -4.616 -4.650 1.00 1.00 H new ATOM 0 HD13 ILE A 71 -0.307 -3.301 -3.755 1.00 1.00 H new ATOM 1045 N ASN A 72 -2.358 -0.482 -8.256 1.00 1.00 N ATOM 1046 CA ASN A 72 -2.207 0.688 -9.123 1.00 1.00 C ATOM 1047 C ASN A 72 -1.924 1.966 -8.298 1.00 1.00 C ATOM 1048 O ASN A 72 -2.835 2.742 -8.003 1.00 1.00 O ATOM 1049 CB ASN A 72 -3.462 0.789 -10.016 1.00 1.00 C ATOM 1050 CG ASN A 72 -3.327 1.830 -11.116 1.00 1.00 C ATOM 1051 OD1 ASN A 72 -3.121 1.519 -12.282 1.00 1.00 O ATOM 1052 ND2 ASN A 72 -3.426 3.096 -10.787 1.00 1.00 N ATOM 0 H ASN A 72 -2.853 -0.266 -7.391 1.00 1.00 H new ATOM 0 HA ASN A 72 -1.338 0.579 -9.771 1.00 1.00 H new ATOM 0 HB2 ASN A 72 -3.660 -0.184 -10.466 1.00 1.00 H new ATOM 0 HB3 ASN A 72 -4.324 1.034 -9.395 1.00 1.00 H new ATOM 0 HD21 ASN A 72 -3.331 3.818 -11.502 1.00 1.00 H new ATOM 0 HD22 ASN A 72 -3.598 3.359 -9.816 1.00 1.00 H new ATOM 1059 N ASN A 73 -0.654 2.186 -7.932 1.00 1.00 N ATOM 1060 CA ASN A 73 -0.116 3.423 -7.333 1.00 1.00 C ATOM 1061 C ASN A 73 -0.996 4.075 -6.235 1.00 1.00 C ATOM 1062 O ASN A 73 -1.396 5.239 -6.334 1.00 1.00 O ATOM 1063 CB ASN A 73 0.251 4.384 -8.482 1.00 1.00 C ATOM 1064 CG ASN A 73 1.088 5.574 -8.028 1.00 1.00 C ATOM 1065 OD1 ASN A 73 1.848 5.514 -7.071 1.00 1.00 O ATOM 1066 ND2 ASN A 73 0.988 6.695 -8.709 1.00 1.00 N ATOM 0 H ASN A 73 0.065 1.472 -8.050 1.00 1.00 H new ATOM 0 HA ASN A 73 0.775 3.159 -6.764 1.00 1.00 H new ATOM 0 HB2 ASN A 73 0.800 3.833 -9.246 1.00 1.00 H new ATOM 0 HB3 ASN A 73 -0.664 4.749 -8.948 1.00 1.00 H new ATOM 0 HD21 ASN A 73 1.542 7.507 -8.438 1.00 1.00 H new ATOM 0 HD22 ASN A 73 0.356 6.752 -9.508 1.00 1.00 H new ATOM 1073 N GLY A 74 -1.350 3.298 -5.207 1.00 1.00 N ATOM 1074 CA GLY A 74 -2.184 3.721 -4.071 1.00 1.00 C ATOM 1075 C GLY A 74 -3.640 3.246 -4.150 1.00 1.00 C ATOM 1076 O GLY A 74 -4.352 3.296 -3.147 1.00 1.00 O ATOM 0 H GLY A 74 -1.055 2.324 -5.138 1.00 1.00 H new ATOM 0 HA2 GLY A 74 -1.740 3.345 -3.149 1.00 1.00 H new ATOM 0 HA3 GLY A 74 -2.171 4.809 -4.010 1.00 1.00 H new ATOM 1080 N VAL A 75 -4.067 2.744 -5.315 1.00 1.00 N ATOM 1081 CA VAL A 75 -5.388 2.151 -5.570 1.00 1.00 C ATOM 1082 C VAL A 75 -5.206 0.646 -5.761 1.00 1.00 C ATOM 1083 O VAL A 75 -4.834 0.165 -6.832 1.00 1.00 O ATOM 1084 CB VAL A 75 -6.094 2.800 -6.779 1.00 1.00 C ATOM 1085 CG1 VAL A 75 -7.547 2.316 -6.866 1.00 1.00 C ATOM 1086 CG2 VAL A 75 -6.107 4.332 -6.685 1.00 1.00 C ATOM 0 H VAL A 75 -3.474 2.739 -6.145 1.00 1.00 H new ATOM 0 HA VAL A 75 -6.039 2.338 -4.716 1.00 1.00 H new ATOM 0 HB VAL A 75 -5.533 2.505 -7.666 1.00 1.00 H new ATOM 0 HG11 VAL A 75 -8.035 2.781 -7.723 1.00 1.00 H new ATOM 0 HG12 VAL A 75 -7.563 1.232 -6.983 1.00 1.00 H new ATOM 0 HG13 VAL A 75 -8.077 2.590 -5.954 1.00 1.00 H new ATOM 0 HG21 VAL A 75 -6.614 4.746 -7.557 1.00 1.00 H new ATOM 0 HG22 VAL A 75 -6.634 4.637 -5.781 1.00 1.00 H new ATOM 0 HG23 VAL A 75 -5.083 4.703 -6.651 1.00 1.00 H new ATOM 1096 N LEU A 76 -5.391 -0.103 -4.679 1.00 1.00 N ATOM 1097 CA LEU A 76 -5.321 -1.561 -4.664 1.00 1.00 C ATOM 1098 C LEU A 76 -6.577 -2.154 -5.325 1.00 1.00 C ATOM 1099 O LEU A 76 -7.673 -1.613 -5.205 1.00 1.00 O ATOM 1100 CB LEU A 76 -5.168 -2.020 -3.200 1.00 1.00 C ATOM 1101 CG LEU A 76 -3.723 -1.962 -2.659 1.00 1.00 C ATOM 1102 CD1 LEU A 76 -3.055 -0.588 -2.757 1.00 1.00 C ATOM 1103 CD2 LEU A 76 -3.705 -2.394 -1.193 1.00 1.00 C ATOM 0 H LEU A 76 -5.599 0.297 -3.764 1.00 1.00 H new ATOM 0 HA LEU A 76 -4.463 -1.915 -5.235 1.00 1.00 H new ATOM 0 HB2 LEU A 76 -5.804 -1.399 -2.569 1.00 1.00 H new ATOM 0 HB3 LEU A 76 -5.534 -3.043 -3.113 1.00 1.00 H new ATOM 0 HG LEU A 76 -3.152 -2.637 -3.296 1.00 1.00 H new ATOM 0 HD11 LEU A 76 -2.044 -0.645 -2.353 1.00 1.00 H new ATOM 0 HD12 LEU A 76 -3.012 -0.278 -3.801 1.00 1.00 H new ATOM 0 HD13 LEU A 76 -3.633 0.139 -2.186 1.00 1.00 H new ATOM 0 HD21 LEU A 76 -2.684 -2.352 -0.814 1.00 1.00 H new ATOM 0 HD22 LEU A 76 -4.337 -1.725 -0.609 1.00 1.00 H new ATOM 0 HD23 LEU A 76 -4.081 -3.414 -1.109 1.00 1.00 H new ATOM 1115 N SER A 77 -6.441 -3.302 -5.978 1.00 1.00 N ATOM 1116 CA SER A 77 -7.548 -4.091 -6.526 1.00 1.00 C ATOM 1117 C SER A 77 -7.688 -5.338 -5.675 1.00 1.00 C ATOM 1118 O SER A 77 -6.724 -6.089 -5.513 1.00 1.00 O ATOM 1119 CB SER A 77 -7.266 -4.537 -7.959 1.00 1.00 C ATOM 1120 OG SER A 77 -7.069 -3.431 -8.823 1.00 1.00 O ATOM 0 H SER A 77 -5.529 -3.727 -6.148 1.00 1.00 H new ATOM 0 HA SER A 77 -8.449 -3.478 -6.523 1.00 1.00 H new ATOM 0 HB2 SER A 77 -6.381 -5.173 -7.975 1.00 1.00 H new ATOM 0 HB3 SER A 77 -8.098 -5.140 -8.323 1.00 1.00 H new ATOM 0 HG SER A 77 -6.889 -3.753 -9.731 1.00 1.00 H new ATOM 1126 N VAL A 78 -8.872 -5.557 -5.111 1.00 1.00 N ATOM 1127 CA VAL A 78 -9.085 -6.602 -4.107 1.00 1.00 C ATOM 1128 C VAL A 78 -10.334 -7.429 -4.406 1.00 1.00 C ATOM 1129 O VAL A 78 -11.219 -7.013 -5.157 1.00 1.00 O ATOM 1130 CB VAL A 78 -9.075 -6.028 -2.670 1.00 1.00 C ATOM 1131 CG1 VAL A 78 -7.938 -5.025 -2.419 1.00 1.00 C ATOM 1132 CG2 VAL A 78 -10.375 -5.325 -2.280 1.00 1.00 C ATOM 0 H VAL A 78 -9.710 -5.019 -5.334 1.00 1.00 H new ATOM 0 HA VAL A 78 -8.242 -7.290 -4.167 1.00 1.00 H new ATOM 0 HB VAL A 78 -8.934 -6.919 -2.057 1.00 1.00 H new ATOM 0 HG11 VAL A 78 -7.992 -4.663 -1.392 1.00 1.00 H new ATOM 0 HG12 VAL A 78 -6.978 -5.515 -2.581 1.00 1.00 H new ATOM 0 HG13 VAL A 78 -8.037 -4.184 -3.105 1.00 1.00 H new ATOM 0 HG21 VAL A 78 -10.293 -4.949 -1.260 1.00 1.00 H new ATOM 0 HG22 VAL A 78 -10.557 -4.493 -2.960 1.00 1.00 H new ATOM 0 HG23 VAL A 78 -11.203 -6.031 -2.341 1.00 1.00 H new ATOM 1142 N THR A 79 -10.401 -8.618 -3.815 1.00 1.00 N ATOM 1143 CA THR A 79 -11.522 -9.560 -3.941 1.00 1.00 C ATOM 1144 C THR A 79 -11.683 -10.336 -2.626 1.00 1.00 C ATOM 1145 O THR A 79 -10.666 -10.663 -2.003 1.00 1.00 O ATOM 1146 CB THR A 79 -11.292 -10.498 -5.142 1.00 1.00 C ATOM 1147 OG1 THR A 79 -12.341 -11.433 -5.223 1.00 1.00 O ATOM 1148 CG2 THR A 79 -9.982 -11.293 -5.100 1.00 1.00 C ATOM 0 H THR A 79 -9.655 -8.969 -3.214 1.00 1.00 H new ATOM 0 HA THR A 79 -12.448 -9.017 -4.128 1.00 1.00 H new ATOM 0 HB THR A 79 -11.246 -9.835 -6.006 1.00 1.00 H new ATOM 0 HG1 THR A 79 -12.192 -12.026 -5.989 1.00 1.00 H new ATOM 0 HG21 THR A 79 -9.910 -11.924 -5.986 1.00 1.00 H new ATOM 0 HG22 THR A 79 -9.138 -10.603 -5.076 1.00 1.00 H new ATOM 0 HG23 THR A 79 -9.964 -11.918 -4.207 1.00 1.00 H new ATOM 1156 N PRO A 80 -12.910 -10.595 -2.131 1.00 1.00 N ATOM 1157 CA PRO A 80 -13.123 -11.241 -0.837 1.00 1.00 C ATOM 1158 C PRO A 80 -12.788 -12.739 -0.867 1.00 1.00 C ATOM 1159 O PRO A 80 -13.631 -13.594 -1.145 1.00 1.00 O ATOM 1160 CB PRO A 80 -14.567 -10.929 -0.456 1.00 1.00 C ATOM 1161 CG PRO A 80 -15.273 -10.813 -1.807 1.00 1.00 C ATOM 1162 CD PRO A 80 -14.194 -10.212 -2.711 1.00 1.00 C ATOM 0 HA PRO A 80 -12.445 -10.858 -0.075 1.00 1.00 H new ATOM 0 HB2 PRO A 80 -15.000 -11.719 0.157 1.00 1.00 H new ATOM 0 HB3 PRO A 80 -14.641 -10.004 0.117 1.00 1.00 H new ATOM 0 HG2 PRO A 80 -15.609 -11.784 -2.171 1.00 1.00 H new ATOM 0 HG3 PRO A 80 -16.153 -10.172 -1.749 1.00 1.00 H new ATOM 0 HD2 PRO A 80 -14.287 -10.588 -3.730 1.00 1.00 H new ATOM 0 HD3 PRO A 80 -14.289 -9.127 -2.761 1.00 1.00 H new ATOM 1170 N HIS A 81 -11.528 -13.049 -0.554 1.00 1.00 N ATOM 1171 CA HIS A 81 -11.027 -14.411 -0.350 1.00 1.00 C ATOM 1172 C HIS A 81 -11.778 -15.122 0.795 1.00 1.00 C ATOM 1173 O HIS A 81 -12.044 -16.321 0.704 1.00 1.00 O ATOM 1174 CB HIS A 81 -9.515 -14.330 -0.071 1.00 1.00 C ATOM 1175 CG HIS A 81 -8.776 -15.652 -0.026 1.00 1.00 C ATOM 1176 ND1 HIS A 81 -9.308 -16.903 0.208 1.00 1.00 N ATOM 1177 CD2 HIS A 81 -7.428 -15.827 -0.194 1.00 1.00 C ATOM 1178 CE1 HIS A 81 -8.313 -17.804 0.180 1.00 1.00 C ATOM 1179 NE2 HIS A 81 -7.140 -17.193 -0.063 1.00 1.00 N ATOM 0 H HIS A 81 -10.806 -12.339 -0.432 1.00 1.00 H new ATOM 0 HA HIS A 81 -11.202 -15.007 -1.246 1.00 1.00 H new ATOM 0 HB2 HIS A 81 -9.057 -13.706 -0.839 1.00 1.00 H new ATOM 0 HB3 HIS A 81 -9.368 -13.822 0.882 1.00 1.00 H new ATOM 0 HD1 HIS A 81 -10.293 -17.109 0.375 1.00 1.00 H new ATOM 0 HD2 HIS A 81 -6.709 -15.046 -0.393 1.00 1.00 H new ATOM 0 HE1 HIS A 81 -8.437 -18.866 0.331 1.00 1.00 H new