USER MOD reduce.3.24.130724 H: found=0, std=0, add=683, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 682 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 43 SER OG : rot -165:sc= 1.18 USER MOD Set 1.2: A 58 GLN : amide:sc= 1.03 K(o=2.2,f=-1.8) USER MOD Set 2.1: A 1 MET CE :methyl -168:sc= -0.693 (180deg=-1.27) USER MOD Set 2.2: A -1 MET CE :methyl -150:sc= -1.32 (180deg=-1.64) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A -3 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 111:sc= 1.21 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 96:sc= 0.0224 USER MOD Single : A 16 SER OG : rot 140:sc= 1.38 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot -98:sc= -0.485 USER MOD Single : A 32 GLN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 34 CYS SG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.387 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 1:sc= 1.61 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0.00318 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= -0.108 K(o=-0.11,f=-1.5!) USER MOD Single : A 54 GLN : amide:sc= -0.0188 K(o=-0.019,f=-1) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 180:sc= -1.07 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= -2.15 K(o=-2.1,f=-3) USER MOD Single : A 80 ASN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 81 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 82 THR OG1 : rot 180:sc=-0.00285 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -3 46.086 3.879 19.605 1.00 0.00 N ATOM 2 CA GLY A -3 45.760 3.872 21.060 1.00 0.00 C ATOM 3 C GLY A -3 47.036 4.100 21.871 1.00 0.00 C ATOM 4 O GLY A -3 47.744 5.069 21.666 1.00 0.00 O ATOM 0 H1 GLY A -3 45.218 3.724 19.054 1.00 0.00 H new ATOM 0 H2 GLY A -3 46.501 4.797 19.347 1.00 0.00 H new ATOM 0 H3 GLY A -3 46.767 3.121 19.398 1.00 0.00 H new ATOM 0 HA2 GLY A -3 45.031 4.651 21.284 1.00 0.00 H new ATOM 0 HA3 GLY A -3 45.306 2.921 21.337 1.00 0.00 H new ATOM 10 N ALA A -2 47.331 3.213 22.790 1.00 0.00 N ATOM 11 CA ALA A -2 48.562 3.366 23.625 1.00 0.00 C ATOM 12 C ALA A -2 49.662 2.428 23.121 1.00 0.00 C ATOM 13 O ALA A -2 49.392 1.324 22.684 1.00 0.00 O ATOM 14 CB ALA A -2 48.131 2.979 25.039 1.00 0.00 C ATOM 0 H ALA A -2 46.770 2.387 22.998 1.00 0.00 H new ATOM 0 HA ALA A -2 48.966 4.378 23.586 1.00 0.00 H new ATOM 0 HB1 ALA A -2 48.982 3.065 25.715 1.00 0.00 H new ATOM 0 HB2 ALA A -2 47.334 3.644 25.371 1.00 0.00 H new ATOM 0 HB3 ALA A -2 47.769 1.951 25.041 1.00 0.00 H new ATOM 20 N MET A -1 50.898 2.863 23.182 1.00 0.00 N ATOM 21 CA MET A -1 52.026 2.007 22.703 1.00 0.00 C ATOM 22 C MET A -1 52.735 1.352 23.893 1.00 0.00 C ATOM 23 O MET A -1 53.104 2.015 24.845 1.00 0.00 O ATOM 24 CB MET A -1 52.970 2.969 21.978 1.00 0.00 C ATOM 25 CG MET A -1 54.047 2.170 21.240 1.00 0.00 C ATOM 26 SD MET A -1 53.366 1.528 19.690 1.00 0.00 S ATOM 27 CE MET A -1 53.179 -0.193 20.214 1.00 0.00 C ATOM 0 H MET A -1 51.173 3.776 23.544 1.00 0.00 H new ATOM 0 HA MET A -1 51.687 1.200 22.053 1.00 0.00 H new ATOM 0 HB2 MET A -1 52.410 3.582 21.272 1.00 0.00 H new ATOM 0 HB3 MET A -1 53.433 3.649 22.693 1.00 0.00 H new ATOM 0 HG2 MET A -1 54.910 2.804 21.036 1.00 0.00 H new ATOM 0 HG3 MET A -1 54.397 1.348 21.864 1.00 0.00 H new ATOM 0 HE1 MET A -1 53.291 -0.850 19.352 1.00 0.00 H new ATOM 0 HE2 MET A -1 53.942 -0.433 20.955 1.00 0.00 H new ATOM 0 HE3 MET A -1 52.191 -0.335 20.652 1.00 0.00 H new ATOM 37 N ALA A 0 52.925 0.056 23.840 1.00 0.00 N ATOM 38 CA ALA A 0 53.620 -0.654 24.956 1.00 0.00 C ATOM 39 C ALA A 0 54.271 -1.943 24.442 1.00 0.00 C ATOM 40 O ALA A 0 54.362 -2.927 25.155 1.00 0.00 O ATOM 41 CB ALA A 0 52.519 -0.975 25.967 1.00 0.00 C ATOM 0 H ALA A 0 52.627 -0.541 23.069 1.00 0.00 H new ATOM 0 HA ALA A 0 54.415 -0.052 25.396 1.00 0.00 H new ATOM 0 HB1 ALA A 0 52.950 -1.499 26.820 1.00 0.00 H new ATOM 0 HB2 ALA A 0 52.055 -0.049 26.307 1.00 0.00 H new ATOM 0 HB3 ALA A 0 51.766 -1.606 25.496 1.00 0.00 H new ATOM 47 N MET A 1 54.724 -1.941 23.211 1.00 0.00 N ATOM 48 CA MET A 1 55.374 -3.161 22.638 1.00 0.00 C ATOM 49 C MET A 1 56.757 -2.810 22.080 1.00 0.00 C ATOM 50 O MET A 1 56.982 -1.710 21.610 1.00 0.00 O ATOM 51 CB MET A 1 54.442 -3.617 21.514 1.00 0.00 C ATOM 52 CG MET A 1 53.121 -4.107 22.112 1.00 0.00 C ATOM 53 SD MET A 1 52.091 -4.817 20.803 1.00 0.00 S ATOM 54 CE MET A 1 51.898 -3.309 19.821 1.00 0.00 C ATOM 0 H MET A 1 54.671 -1.144 22.577 1.00 0.00 H new ATOM 0 HA MET A 1 55.521 -3.940 23.386 1.00 0.00 H new ATOM 0 HB2 MET A 1 54.258 -2.794 20.824 1.00 0.00 H new ATOM 0 HB3 MET A 1 54.912 -4.415 20.939 1.00 0.00 H new ATOM 0 HG2 MET A 1 53.313 -4.853 22.883 1.00 0.00 H new ATOM 0 HG3 MET A 1 52.598 -3.280 22.592 1.00 0.00 H new ATOM 0 HE1 MET A 1 51.121 -3.460 19.072 1.00 0.00 H new ATOM 0 HE2 MET A 1 51.617 -2.483 20.474 1.00 0.00 H new ATOM 0 HE3 MET A 1 52.840 -3.075 19.325 1.00 0.00 H new ATOM 64 N SER A 2 57.680 -3.741 22.128 1.00 0.00 N ATOM 65 CA SER A 2 59.057 -3.474 21.610 1.00 0.00 C ATOM 66 C SER A 2 59.300 -4.240 20.305 1.00 0.00 C ATOM 67 O SER A 2 60.418 -4.610 19.996 1.00 0.00 O ATOM 68 CB SER A 2 59.995 -3.974 22.709 1.00 0.00 C ATOM 69 OG SER A 2 59.903 -5.390 22.795 1.00 0.00 O ATOM 0 H SER A 2 57.537 -4.678 22.505 1.00 0.00 H new ATOM 0 HA SER A 2 59.213 -2.419 21.386 1.00 0.00 H new ATOM 0 HB2 SER A 2 61.021 -3.677 22.491 1.00 0.00 H new ATOM 0 HB3 SER A 2 59.729 -3.522 23.664 1.00 0.00 H new ATOM 0 HG SER A 2 60.504 -5.715 23.497 1.00 0.00 H new ATOM 75 N GLY A 3 58.261 -4.480 19.539 1.00 0.00 N ATOM 76 CA GLY A 3 58.421 -5.232 18.258 1.00 0.00 C ATOM 77 C GLY A 3 57.489 -4.643 17.197 1.00 0.00 C ATOM 78 O GLY A 3 56.890 -5.362 16.419 1.00 0.00 O ATOM 0 H GLY A 3 57.307 -4.185 19.749 1.00 0.00 H new ATOM 0 HA2 GLY A 3 59.455 -5.177 17.919 1.00 0.00 H new ATOM 0 HA3 GLY A 3 58.192 -6.286 18.413 1.00 0.00 H new ATOM 82 N GLY A 4 57.365 -3.337 17.163 1.00 0.00 N ATOM 83 CA GLY A 4 56.467 -2.686 16.162 1.00 0.00 C ATOM 84 C GLY A 4 57.306 -2.122 15.012 1.00 0.00 C ATOM 85 O GLY A 4 57.024 -2.367 13.853 1.00 0.00 O ATOM 0 H GLY A 4 57.850 -2.694 17.789 1.00 0.00 H new ATOM 0 HA2 GLY A 4 55.747 -3.409 15.780 1.00 0.00 H new ATOM 0 HA3 GLY A 4 55.896 -1.887 16.635 1.00 0.00 H new ATOM 89 N LEU A 5 58.333 -1.370 15.328 1.00 0.00 N ATOM 90 CA LEU A 5 59.187 -0.766 14.256 1.00 0.00 C ATOM 91 C LEU A 5 60.184 -1.808 13.721 1.00 0.00 C ATOM 92 O LEU A 5 60.471 -2.777 14.397 1.00 0.00 O ATOM 93 CB LEU A 5 59.931 0.388 14.934 1.00 0.00 C ATOM 94 CG LEU A 5 59.017 1.612 15.004 1.00 0.00 C ATOM 95 CD1 LEU A 5 58.000 1.426 16.131 1.00 0.00 C ATOM 96 CD2 LEU A 5 59.859 2.859 15.281 1.00 0.00 C ATOM 0 H LEU A 5 58.617 -1.148 16.282 1.00 0.00 H new ATOM 0 HA LEU A 5 58.596 -0.423 13.407 1.00 0.00 H new ATOM 0 HB2 LEU A 5 60.242 0.095 15.937 1.00 0.00 H new ATOM 0 HB3 LEU A 5 60.837 0.628 14.377 1.00 0.00 H new ATOM 0 HG LEU A 5 58.492 1.728 14.056 1.00 0.00 H new ATOM 0 HD11 LEU A 5 57.349 2.298 16.181 1.00 0.00 H new ATOM 0 HD12 LEU A 5 57.401 0.536 15.937 1.00 0.00 H new ATOM 0 HD13 LEU A 5 58.525 1.310 17.079 1.00 0.00 H new ATOM 0 HD21 LEU A 5 59.209 3.733 15.331 1.00 0.00 H new ATOM 0 HD22 LEU A 5 60.383 2.741 16.230 1.00 0.00 H new ATOM 0 HD23 LEU A 5 60.586 2.993 14.480 1.00 0.00 H new ATOM 108 N PRO A 6 60.685 -1.580 12.520 1.00 0.00 N ATOM 109 CA PRO A 6 61.678 -2.514 11.920 1.00 0.00 C ATOM 110 C PRO A 6 62.977 -2.512 12.739 1.00 0.00 C ATOM 111 O PRO A 6 63.357 -1.506 13.308 1.00 0.00 O ATOM 112 CB PRO A 6 61.922 -1.959 10.510 1.00 0.00 C ATOM 113 CG PRO A 6 60.842 -0.950 10.272 1.00 0.00 C ATOM 114 CD PRO A 6 60.385 -0.459 11.617 1.00 0.00 C ATOM 0 HA PRO A 6 61.326 -3.545 11.902 1.00 0.00 H new ATOM 0 HB2 PRO A 6 62.908 -1.500 10.436 1.00 0.00 H new ATOM 0 HB3 PRO A 6 61.884 -2.754 9.766 1.00 0.00 H new ATOM 0 HG2 PRO A 6 61.215 -0.123 9.667 1.00 0.00 H new ATOM 0 HG3 PRO A 6 60.013 -1.397 9.724 1.00 0.00 H new ATOM 0 HD2 PRO A 6 60.915 0.446 11.914 1.00 0.00 H new ATOM 0 HD3 PRO A 6 59.322 -0.220 11.615 1.00 0.00 H new ATOM 122 N GLU A 7 63.655 -3.635 12.796 1.00 0.00 N ATOM 123 CA GLU A 7 64.936 -3.710 13.574 1.00 0.00 C ATOM 124 C GLU A 7 65.999 -2.802 12.945 1.00 0.00 C ATOM 125 O GLU A 7 66.216 -2.825 11.747 1.00 0.00 O ATOM 126 CB GLU A 7 65.376 -5.175 13.488 1.00 0.00 C ATOM 127 CG GLU A 7 64.373 -6.057 14.235 1.00 0.00 C ATOM 128 CD GLU A 7 64.851 -7.510 14.207 1.00 0.00 C ATOM 129 OE1 GLU A 7 65.571 -7.894 15.115 1.00 0.00 O ATOM 130 OE2 GLU A 7 64.490 -8.214 13.280 1.00 0.00 O ATOM 0 H GLU A 7 63.377 -4.503 12.338 1.00 0.00 H new ATOM 0 HA GLU A 7 64.803 -3.381 14.605 1.00 0.00 H new ATOM 0 HB2 GLU A 7 65.442 -5.485 12.445 1.00 0.00 H new ATOM 0 HB3 GLU A 7 66.370 -5.292 13.919 1.00 0.00 H new ATOM 0 HG2 GLU A 7 64.270 -5.717 15.265 1.00 0.00 H new ATOM 0 HG3 GLU A 7 63.389 -5.978 13.773 1.00 0.00 H new ATOM 137 N LEU A 8 66.661 -2.005 13.749 1.00 0.00 N ATOM 138 CA LEU A 8 67.726 -1.093 13.212 1.00 0.00 C ATOM 139 C LEU A 8 68.897 -1.904 12.643 1.00 0.00 C ATOM 140 O LEU A 8 69.197 -2.986 13.114 1.00 0.00 O ATOM 141 CB LEU A 8 68.197 -0.269 14.415 1.00 0.00 C ATOM 142 CG LEU A 8 67.056 0.621 14.911 1.00 0.00 C ATOM 143 CD1 LEU A 8 67.364 1.105 16.329 1.00 0.00 C ATOM 144 CD2 LEU A 8 66.910 1.830 13.983 1.00 0.00 C ATOM 0 H LEU A 8 66.511 -1.945 14.756 1.00 0.00 H new ATOM 0 HA LEU A 8 67.348 -0.467 12.404 1.00 0.00 H new ATOM 0 HB2 LEU A 8 68.528 -0.932 15.215 1.00 0.00 H new ATOM 0 HB3 LEU A 8 69.053 0.344 14.135 1.00 0.00 H new ATOM 0 HG LEU A 8 66.128 0.050 14.915 1.00 0.00 H new ATOM 0 HD11 LEU A 8 66.551 1.739 16.682 1.00 0.00 H new ATOM 0 HD12 LEU A 8 67.468 0.246 16.992 1.00 0.00 H new ATOM 0 HD13 LEU A 8 68.293 1.675 16.325 1.00 0.00 H new ATOM 0 HD21 LEU A 8 66.097 2.464 14.337 1.00 0.00 H new ATOM 0 HD22 LEU A 8 67.839 2.400 13.979 1.00 0.00 H new ATOM 0 HD23 LEU A 8 66.690 1.488 12.972 1.00 0.00 H new ATOM 156 N GLY A 9 69.555 -1.384 11.635 1.00 0.00 N ATOM 157 CA GLY A 9 70.746 -2.086 11.061 1.00 0.00 C ATOM 158 C GLY A 9 70.336 -3.194 10.078 1.00 0.00 C ATOM 159 O GLY A 9 71.185 -3.842 9.492 1.00 0.00 O ATOM 0 H GLY A 9 69.318 -0.501 11.184 1.00 0.00 H new ATOM 0 HA2 GLY A 9 71.382 -1.364 10.550 1.00 0.00 H new ATOM 0 HA3 GLY A 9 71.338 -2.517 11.868 1.00 0.00 H new ATOM 163 N SER A 10 69.053 -3.423 9.885 1.00 0.00 N ATOM 164 CA SER A 10 68.608 -4.495 8.931 1.00 0.00 C ATOM 165 C SER A 10 69.081 -4.176 7.509 1.00 0.00 C ATOM 166 O SER A 10 69.178 -3.024 7.128 1.00 0.00 O ATOM 167 CB SER A 10 67.079 -4.487 8.994 1.00 0.00 C ATOM 168 OG SER A 10 66.661 -4.874 10.297 1.00 0.00 O ATOM 0 H SER A 10 68.298 -2.915 10.346 1.00 0.00 H new ATOM 0 HA SER A 10 69.022 -5.468 9.195 1.00 0.00 H new ATOM 0 HB2 SER A 10 66.699 -3.493 8.758 1.00 0.00 H new ATOM 0 HB3 SER A 10 66.669 -5.170 8.250 1.00 0.00 H new ATOM 0 HG SER A 10 66.271 -4.102 10.758 1.00 0.00 H new ATOM 174 N LYS A 11 69.377 -5.187 6.729 1.00 0.00 N ATOM 175 CA LYS A 11 69.816 -4.946 5.317 1.00 0.00 C ATOM 176 C LYS A 11 68.597 -4.720 4.409 1.00 0.00 C ATOM 177 O LYS A 11 67.682 -5.528 4.366 1.00 0.00 O ATOM 178 CB LYS A 11 70.606 -6.204 4.906 1.00 0.00 C ATOM 179 CG LYS A 11 69.690 -7.435 4.838 1.00 0.00 C ATOM 180 CD LYS A 11 70.543 -8.693 4.659 1.00 0.00 C ATOM 181 CE LYS A 11 69.650 -9.865 4.245 1.00 0.00 C ATOM 182 NZ LYS A 11 70.351 -11.078 4.751 1.00 0.00 N ATOM 0 H LYS A 11 69.334 -6.167 7.007 1.00 0.00 H new ATOM 0 HA LYS A 11 70.434 -4.053 5.226 1.00 0.00 H new ATOM 0 HB2 LYS A 11 71.075 -6.042 3.935 1.00 0.00 H new ATOM 0 HB3 LYS A 11 71.408 -6.383 5.622 1.00 0.00 H new ATOM 0 HG2 LYS A 11 69.096 -7.511 5.749 1.00 0.00 H new ATOM 0 HG3 LYS A 11 68.990 -7.336 4.009 1.00 0.00 H new ATOM 0 HD2 LYS A 11 71.308 -8.521 3.902 1.00 0.00 H new ATOM 0 HD3 LYS A 11 71.061 -8.928 5.589 1.00 0.00 H new ATOM 0 HE2 LYS A 11 68.654 -9.775 4.678 1.00 0.00 H new ATOM 0 HE3 LYS A 11 69.525 -9.903 3.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 69.800 -11.925 4.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 71.294 -11.141 4.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 70.450 -11.016 5.784 1.00 0.00 H new ATOM 196 N ILE A 12 68.580 -3.625 3.687 1.00 0.00 N ATOM 197 CA ILE A 12 67.421 -3.329 2.787 1.00 0.00 C ATOM 198 C ILE A 12 67.906 -3.155 1.343 1.00 0.00 C ATOM 199 O ILE A 12 68.977 -2.630 1.094 1.00 0.00 O ATOM 200 CB ILE A 12 66.808 -2.024 3.320 1.00 0.00 C ATOM 201 CG1 ILE A 12 66.346 -2.227 4.771 1.00 0.00 C ATOM 202 CG2 ILE A 12 65.599 -1.630 2.459 1.00 0.00 C ATOM 203 CD1 ILE A 12 65.917 -0.887 5.371 1.00 0.00 C ATOM 0 H ILE A 12 69.320 -2.923 3.682 1.00 0.00 H new ATOM 0 HA ILE A 12 66.690 -4.137 2.781 1.00 0.00 H new ATOM 0 HB ILE A 12 67.559 -1.235 3.280 1.00 0.00 H new ATOM 0 HG12 ILE A 12 65.516 -2.932 4.802 1.00 0.00 H new ATOM 0 HG13 ILE A 12 67.154 -2.659 5.362 1.00 0.00 H new ATOM 0 HG21 ILE A 12 65.167 -0.705 2.840 1.00 0.00 H new ATOM 0 HG22 ILE A 12 65.919 -1.483 1.427 1.00 0.00 H new ATOM 0 HG23 ILE A 12 64.851 -2.422 2.498 1.00 0.00 H new ATOM 0 HD11 ILE A 12 65.590 -1.037 6.400 1.00 0.00 H new ATOM 0 HD12 ILE A 12 66.759 -0.195 5.355 1.00 0.00 H new ATOM 0 HD13 ILE A 12 65.096 -0.473 4.786 1.00 0.00 H new ATOM 215 N SER A 13 67.112 -3.600 0.398 1.00 0.00 N ATOM 216 CA SER A 13 67.426 -3.369 -1.041 1.00 0.00 C ATOM 217 C SER A 13 66.547 -2.236 -1.575 1.00 0.00 C ATOM 218 O SER A 13 65.366 -2.172 -1.286 1.00 0.00 O ATOM 219 CB SER A 13 67.093 -4.688 -1.740 1.00 0.00 C ATOM 220 OG SER A 13 67.472 -4.603 -3.106 1.00 0.00 O ATOM 0 H SER A 13 66.251 -4.119 0.569 1.00 0.00 H new ATOM 0 HA SER A 13 68.465 -3.082 -1.206 1.00 0.00 H new ATOM 0 HB2 SER A 13 67.617 -5.512 -1.256 1.00 0.00 H new ATOM 0 HB3 SER A 13 66.026 -4.897 -1.659 1.00 0.00 H new ATOM 0 HG SER A 13 68.366 -4.988 -3.222 1.00 0.00 H new ATOM 226 N LEU A 14 67.115 -1.348 -2.349 1.00 0.00 N ATOM 227 CA LEU A 14 66.393 -0.095 -2.721 1.00 0.00 C ATOM 228 C LEU A 14 66.560 0.190 -4.218 1.00 0.00 C ATOM 229 O LEU A 14 67.660 0.209 -4.731 1.00 0.00 O ATOM 230 CB LEU A 14 67.071 0.988 -1.879 1.00 0.00 C ATOM 231 CG LEU A 14 66.158 2.208 -1.761 1.00 0.00 C ATOM 232 CD1 LEU A 14 64.954 1.870 -0.879 1.00 0.00 C ATOM 233 CD2 LEU A 14 66.938 3.359 -1.125 1.00 0.00 C ATOM 0 H LEU A 14 68.052 -1.437 -2.741 1.00 0.00 H new ATOM 0 HA LEU A 14 65.320 -0.151 -2.537 1.00 0.00 H new ATOM 0 HB2 LEU A 14 67.301 0.598 -0.887 1.00 0.00 H new ATOM 0 HB3 LEU A 14 68.018 1.275 -2.336 1.00 0.00 H new ATOM 0 HG LEU A 14 65.810 2.497 -2.753 1.00 0.00 H new ATOM 0 HD11 LEU A 14 64.306 2.743 -0.798 1.00 0.00 H new ATOM 0 HD12 LEU A 14 64.397 1.045 -1.324 1.00 0.00 H new ATOM 0 HD13 LEU A 14 65.300 1.581 0.114 1.00 0.00 H new ATOM 0 HD21 LEU A 14 66.292 4.232 -1.038 1.00 0.00 H new ATOM 0 HD22 LEU A 14 67.282 3.062 -0.134 1.00 0.00 H new ATOM 0 HD23 LEU A 14 67.798 3.604 -1.749 1.00 0.00 H new ATOM 245 N ILE A 15 65.471 0.413 -4.918 1.00 0.00 N ATOM 246 CA ILE A 15 65.552 0.658 -6.394 1.00 0.00 C ATOM 247 C ILE A 15 65.254 2.136 -6.690 1.00 0.00 C ATOM 248 O ILE A 15 64.195 2.645 -6.345 1.00 0.00 O ATOM 249 CB ILE A 15 64.478 -0.251 -7.017 1.00 0.00 C ATOM 250 CG1 ILE A 15 64.773 -1.718 -6.672 1.00 0.00 C ATOM 251 CG2 ILE A 15 64.480 -0.088 -8.541 1.00 0.00 C ATOM 252 CD1 ILE A 15 63.564 -2.584 -7.036 1.00 0.00 C ATOM 0 H ILE A 15 64.528 0.436 -4.529 1.00 0.00 H new ATOM 0 HA ILE A 15 66.540 0.441 -6.799 1.00 0.00 H new ATOM 0 HB ILE A 15 63.504 0.031 -6.618 1.00 0.00 H new ATOM 0 HG12 ILE A 15 65.654 -2.060 -7.215 1.00 0.00 H new ATOM 0 HG13 ILE A 15 64.996 -1.815 -5.609 1.00 0.00 H new ATOM 0 HG21 ILE A 15 63.718 -0.734 -8.977 1.00 0.00 H new ATOM 0 HG22 ILE A 15 64.266 0.950 -8.796 1.00 0.00 H new ATOM 0 HG23 ILE A 15 65.458 -0.364 -8.935 1.00 0.00 H new ATOM 0 HD11 ILE A 15 63.775 -3.625 -6.791 1.00 0.00 H new ATOM 0 HD12 ILE A 15 62.693 -2.248 -6.473 1.00 0.00 H new ATOM 0 HD13 ILE A 15 63.362 -2.497 -8.104 1.00 0.00 H new ATOM 264 N SER A 16 66.184 2.818 -7.321 1.00 0.00 N ATOM 265 CA SER A 16 66.000 4.273 -7.622 1.00 0.00 C ATOM 266 C SER A 16 65.400 4.478 -9.021 1.00 0.00 C ATOM 267 O SER A 16 65.517 3.626 -9.887 1.00 0.00 O ATOM 268 CB SER A 16 67.409 4.863 -7.567 1.00 0.00 C ATOM 269 OG SER A 16 67.995 4.563 -6.307 1.00 0.00 O ATOM 0 H SER A 16 67.068 2.424 -7.642 1.00 0.00 H new ATOM 0 HA SER A 16 65.316 4.746 -6.917 1.00 0.00 H new ATOM 0 HB2 SER A 16 68.019 4.453 -8.372 1.00 0.00 H new ATOM 0 HB3 SER A 16 67.370 5.942 -7.715 1.00 0.00 H new ATOM 0 HG SER A 16 68.937 4.325 -6.433 1.00 0.00 H new ATOM 275 N LYS A 17 64.780 5.621 -9.242 1.00 0.00 N ATOM 276 CA LYS A 17 64.004 5.875 -10.509 1.00 0.00 C ATOM 277 C LYS A 17 64.841 5.627 -11.777 1.00 0.00 C ATOM 278 O LYS A 17 64.301 5.543 -12.865 1.00 0.00 O ATOM 279 CB LYS A 17 63.604 7.353 -10.437 1.00 0.00 C ATOM 280 CG LYS A 17 62.580 7.663 -11.532 1.00 0.00 C ATOM 281 CD LYS A 17 62.230 9.153 -11.498 1.00 0.00 C ATOM 282 CE LYS A 17 61.092 9.433 -12.480 1.00 0.00 C ATOM 283 NZ LYS A 17 60.766 10.874 -12.289 1.00 0.00 N ATOM 0 H LYS A 17 64.779 6.402 -8.586 1.00 0.00 H new ATOM 0 HA LYS A 17 63.153 5.198 -10.577 1.00 0.00 H new ATOM 0 HB2 LYS A 17 63.183 7.579 -9.457 1.00 0.00 H new ATOM 0 HB3 LYS A 17 64.484 7.984 -10.559 1.00 0.00 H new ATOM 0 HG2 LYS A 17 62.984 7.396 -12.508 1.00 0.00 H new ATOM 0 HG3 LYS A 17 61.681 7.064 -11.384 1.00 0.00 H new ATOM 0 HD2 LYS A 17 61.935 9.445 -10.490 1.00 0.00 H new ATOM 0 HD3 LYS A 17 63.105 9.749 -11.759 1.00 0.00 H new ATOM 0 HE2 LYS A 17 61.397 9.230 -13.506 1.00 0.00 H new ATOM 0 HE3 LYS A 17 60.228 8.802 -12.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 59.992 11.143 -12.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 60.473 11.036 -11.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 61.606 11.451 -12.499 1.00 0.00 H new ATOM 297 N ALA A 18 66.141 5.509 -11.653 1.00 0.00 N ATOM 298 CA ALA A 18 66.995 5.242 -12.852 1.00 0.00 C ATOM 299 C ALA A 18 67.142 3.732 -13.078 1.00 0.00 C ATOM 300 O ALA A 18 68.058 3.290 -13.746 1.00 0.00 O ATOM 301 CB ALA A 18 68.352 5.866 -12.514 1.00 0.00 C ATOM 0 H ALA A 18 66.648 5.586 -10.771 1.00 0.00 H new ATOM 0 HA ALA A 18 66.566 5.657 -13.764 1.00 0.00 H new ATOM 0 HB1 ALA A 18 69.040 5.714 -13.346 1.00 0.00 H new ATOM 0 HB2 ALA A 18 68.227 6.934 -12.337 1.00 0.00 H new ATOM 0 HB3 ALA A 18 68.756 5.395 -11.618 1.00 0.00 H new ATOM 307 N ASP A 19 66.246 2.934 -12.524 1.00 0.00 N ATOM 308 CA ASP A 19 66.372 1.439 -12.601 1.00 0.00 C ATOM 309 C ASP A 19 67.742 1.006 -12.076 1.00 0.00 C ATOM 310 O ASP A 19 68.336 0.058 -12.558 1.00 0.00 O ATOM 311 CB ASP A 19 66.203 1.067 -14.081 1.00 0.00 C ATOM 312 CG ASP A 19 64.792 1.437 -14.546 1.00 0.00 C ATOM 313 OD1 ASP A 19 63.857 1.168 -13.810 1.00 0.00 O ATOM 314 OD2 ASP A 19 64.671 1.984 -15.630 1.00 0.00 O ATOM 0 H ASP A 19 65.425 3.263 -12.017 1.00 0.00 H new ATOM 0 HA ASP A 19 65.621 0.936 -11.992 1.00 0.00 H new ATOM 0 HB2 ASP A 19 66.945 1.590 -14.685 1.00 0.00 H new ATOM 0 HB3 ASP A 19 66.374 -0.000 -14.220 1.00 0.00 H new ATOM 319 N ILE A 20 68.240 1.706 -11.086 1.00 0.00 N ATOM 320 CA ILE A 20 69.557 1.339 -10.484 1.00 0.00 C ATOM 321 C ILE A 20 69.317 0.613 -9.162 1.00 0.00 C ATOM 322 O ILE A 20 68.403 0.947 -8.429 1.00 0.00 O ATOM 323 CB ILE A 20 70.298 2.664 -10.234 1.00 0.00 C ATOM 324 CG1 ILE A 20 70.394 3.470 -11.538 1.00 0.00 C ATOM 325 CG2 ILE A 20 71.711 2.363 -9.714 1.00 0.00 C ATOM 326 CD1 ILE A 20 71.013 4.845 -11.259 1.00 0.00 C ATOM 0 H ILE A 20 67.788 2.519 -10.668 1.00 0.00 H new ATOM 0 HA ILE A 20 70.136 0.683 -11.134 1.00 0.00 H new ATOM 0 HB ILE A 20 69.748 3.248 -9.496 1.00 0.00 H new ATOM 0 HG12 ILE A 20 71.000 2.930 -12.265 1.00 0.00 H new ATOM 0 HG13 ILE A 20 69.403 3.590 -11.975 1.00 0.00 H new ATOM 0 HG21 ILE A 20 72.240 3.299 -9.535 1.00 0.00 H new ATOM 0 HG22 ILE A 20 71.644 1.801 -8.783 1.00 0.00 H new ATOM 0 HG23 ILE A 20 72.254 1.775 -10.454 1.00 0.00 H new ATOM 0 HD11 ILE A 20 71.078 5.410 -12.189 1.00 0.00 H new ATOM 0 HD12 ILE A 20 70.390 5.387 -10.547 1.00 0.00 H new ATOM 0 HD13 ILE A 20 72.012 4.717 -10.842 1.00 0.00 H new ATOM 338 N ARG A 21 70.123 -0.368 -8.850 1.00 0.00 N ATOM 339 CA ARG A 21 69.920 -1.124 -7.582 1.00 0.00 C ATOM 340 C ARG A 21 70.962 -0.698 -6.544 1.00 0.00 C ATOM 341 O ARG A 21 72.155 -0.835 -6.750 1.00 0.00 O ATOM 342 CB ARG A 21 70.100 -2.595 -7.957 1.00 0.00 C ATOM 343 CG ARG A 21 69.692 -3.478 -6.775 1.00 0.00 C ATOM 344 CD ARG A 21 70.007 -4.943 -7.097 1.00 0.00 C ATOM 345 NE ARG A 21 69.036 -5.335 -8.170 1.00 0.00 N ATOM 346 CZ ARG A 21 68.806 -6.603 -8.458 1.00 0.00 C ATOM 347 NH1 ARG A 21 69.419 -7.577 -7.824 1.00 0.00 N ATOM 348 NH2 ARG A 21 67.949 -6.895 -9.397 1.00 0.00 N ATOM 0 H ARG A 21 70.912 -0.677 -9.418 1.00 0.00 H new ATOM 0 HA ARG A 21 68.940 -0.939 -7.143 1.00 0.00 H new ATOM 0 HB2 ARG A 21 69.494 -2.835 -8.830 1.00 0.00 H new ATOM 0 HB3 ARG A 21 71.138 -2.788 -8.227 1.00 0.00 H new ATOM 0 HG2 ARG A 21 70.226 -3.170 -5.876 1.00 0.00 H new ATOM 0 HG3 ARG A 21 68.628 -3.361 -6.570 1.00 0.00 H new ATOM 0 HD2 ARG A 21 71.036 -5.057 -7.438 1.00 0.00 H new ATOM 0 HD3 ARG A 21 69.892 -5.572 -6.215 1.00 0.00 H new ATOM 0 HE ARG A 21 68.543 -4.608 -8.688 1.00 0.00 H new ATOM 0 HH11 ARG A 21 70.092 -7.362 -7.088 1.00 0.00 H new ATOM 0 HH12 ARG A 21 69.222 -8.548 -8.067 1.00 0.00 H new ATOM 0 HH21 ARG A 21 67.467 -6.148 -9.898 1.00 0.00 H new ATOM 0 HH22 ARG A 21 67.761 -7.870 -9.631 1.00 0.00 H new ATOM 362 N TYR A 22 70.503 -0.180 -5.433 1.00 0.00 N ATOM 363 CA TYR A 22 71.415 0.155 -4.301 1.00 0.00 C ATOM 364 C TYR A 22 71.085 -0.751 -3.115 1.00 0.00 C ATOM 365 O TYR A 22 69.953 -1.153 -2.938 1.00 0.00 O ATOM 366 CB TYR A 22 71.095 1.610 -3.950 1.00 0.00 C ATOM 367 CG TYR A 22 71.484 2.613 -5.014 1.00 0.00 C ATOM 368 CD1 TYR A 22 72.772 3.200 -4.993 1.00 0.00 C ATOM 369 CD2 TYR A 22 70.557 2.972 -6.027 1.00 0.00 C ATOM 370 CE1 TYR A 22 73.137 4.146 -5.981 1.00 0.00 C ATOM 371 CE2 TYR A 22 70.924 3.919 -7.019 1.00 0.00 C ATOM 372 CZ TYR A 22 72.213 4.505 -6.995 1.00 0.00 C ATOM 373 OH TYR A 22 72.570 5.428 -7.957 1.00 0.00 O ATOM 0 H TYR A 22 69.519 0.028 -5.261 1.00 0.00 H new ATOM 0 HA TYR A 22 72.467 0.020 -4.551 1.00 0.00 H new ATOM 0 HB2 TYR A 22 70.025 1.698 -3.760 1.00 0.00 H new ATOM 0 HB3 TYR A 22 71.606 1.867 -3.022 1.00 0.00 H new ATOM 0 HD1 TYR A 22 73.477 2.926 -4.222 1.00 0.00 H new ATOM 0 HD2 TYR A 22 69.574 2.525 -6.043 1.00 0.00 H new ATOM 0 HE1 TYR A 22 74.119 4.594 -5.962 1.00 0.00 H new ATOM 0 HE2 TYR A 22 70.221 4.192 -7.792 1.00 0.00 H new ATOM 0 HH TYR A 22 71.823 5.560 -8.577 1.00 0.00 H new ATOM 383 N GLU A 23 72.057 -1.074 -2.304 1.00 0.00 N ATOM 384 CA GLU A 23 71.770 -1.870 -1.069 1.00 0.00 C ATOM 385 C GLU A 23 72.625 -1.356 0.084 1.00 0.00 C ATOM 386 O GLU A 23 73.779 -1.027 -0.101 1.00 0.00 O ATOM 387 CB GLU A 23 72.156 -3.307 -1.421 1.00 0.00 C ATOM 388 CG GLU A 23 71.184 -3.856 -2.470 1.00 0.00 C ATOM 389 CD GLU A 23 71.365 -5.371 -2.604 1.00 0.00 C ATOM 390 OE1 GLU A 23 72.499 -5.823 -2.549 1.00 0.00 O ATOM 391 OE2 GLU A 23 70.367 -6.055 -2.759 1.00 0.00 O ATOM 0 H GLU A 23 73.036 -0.823 -2.440 1.00 0.00 H new ATOM 0 HA GLU A 23 70.728 -1.796 -0.759 1.00 0.00 H new ATOM 0 HB2 GLU A 23 73.176 -3.337 -1.804 1.00 0.00 H new ATOM 0 HB3 GLU A 23 72.133 -3.930 -0.527 1.00 0.00 H new ATOM 0 HG2 GLU A 23 70.158 -3.627 -2.183 1.00 0.00 H new ATOM 0 HG3 GLU A 23 71.361 -3.373 -3.431 1.00 0.00 H new ATOM 398 N GLY A 24 72.071 -1.288 1.271 1.00 0.00 N ATOM 399 CA GLY A 24 72.835 -0.698 2.413 1.00 0.00 C ATOM 400 C GLY A 24 72.124 -0.982 3.738 1.00 0.00 C ATOM 401 O GLY A 24 71.024 -1.504 3.765 1.00 0.00 O ATOM 0 H GLY A 24 71.131 -1.613 1.496 1.00 0.00 H new ATOM 0 HA2 GLY A 24 73.842 -1.114 2.438 1.00 0.00 H new ATOM 0 HA3 GLY A 24 72.938 0.378 2.272 1.00 0.00 H new ATOM 405 N ARG A 25 72.756 -0.639 4.837 1.00 0.00 N ATOM 406 CA ARG A 25 72.131 -0.869 6.179 1.00 0.00 C ATOM 407 C ARG A 25 71.210 0.297 6.551 1.00 0.00 C ATOM 408 O ARG A 25 71.550 1.450 6.357 1.00 0.00 O ATOM 409 CB ARG A 25 73.305 -0.948 7.158 1.00 0.00 C ATOM 410 CG ARG A 25 74.133 -2.201 6.867 1.00 0.00 C ATOM 411 CD ARG A 25 75.248 -2.332 7.910 1.00 0.00 C ATOM 412 NE ARG A 25 76.122 -3.447 7.419 1.00 0.00 N ATOM 413 CZ ARG A 25 77.348 -3.615 7.882 1.00 0.00 C ATOM 414 NH1 ARG A 25 77.855 -2.819 8.795 1.00 0.00 N ATOM 415 NH2 ARG A 25 78.072 -4.598 7.421 1.00 0.00 N ATOM 0 H ARG A 25 73.680 -0.208 4.861 1.00 0.00 H new ATOM 0 HA ARG A 25 71.521 -1.772 6.193 1.00 0.00 H new ATOM 0 HB2 ARG A 25 73.928 -0.059 7.066 1.00 0.00 H new ATOM 0 HB3 ARG A 25 72.936 -0.974 8.183 1.00 0.00 H new ATOM 0 HG2 ARG A 25 73.495 -3.084 6.889 1.00 0.00 H new ATOM 0 HG3 ARG A 25 74.562 -2.142 5.867 1.00 0.00 H new ATOM 0 HD2 ARG A 25 75.811 -1.403 8.003 1.00 0.00 H new ATOM 0 HD3 ARG A 25 74.840 -2.557 8.895 1.00 0.00 H new ATOM 0 HE ARG A 25 75.763 -4.089 6.713 1.00 0.00 H new ATOM 0 HH11 ARG A 25 77.299 -2.048 9.165 1.00 0.00 H new ATOM 0 HH12 ARG A 25 78.805 -2.972 9.135 1.00 0.00 H new ATOM 0 HH21 ARG A 25 77.690 -5.224 6.713 1.00 0.00 H new ATOM 0 HH22 ARG A 25 79.020 -4.740 7.769 1.00 0.00 H new ATOM 429 N LEU A 26 70.047 0.004 7.084 1.00 0.00 N ATOM 430 CA LEU A 26 69.134 1.095 7.561 1.00 0.00 C ATOM 431 C LEU A 26 69.750 1.832 8.756 1.00 0.00 C ATOM 432 O LEU A 26 70.007 1.241 9.789 1.00 0.00 O ATOM 433 CB LEU A 26 67.864 0.366 8.017 1.00 0.00 C ATOM 434 CG LEU A 26 66.765 1.388 8.322 1.00 0.00 C ATOM 435 CD1 LEU A 26 66.153 1.897 7.014 1.00 0.00 C ATOM 436 CD2 LEU A 26 65.676 0.723 9.170 1.00 0.00 C ATOM 0 H LEU A 26 69.690 -0.943 7.210 1.00 0.00 H new ATOM 0 HA LEU A 26 68.947 1.835 6.783 1.00 0.00 H new ATOM 0 HB2 LEU A 26 67.529 -0.322 7.241 1.00 0.00 H new ATOM 0 HB3 LEU A 26 68.075 -0.232 8.904 1.00 0.00 H new ATOM 0 HG LEU A 26 67.194 2.228 8.868 1.00 0.00 H new ATOM 0 HD11 LEU A 26 65.372 2.624 7.236 1.00 0.00 H new ATOM 0 HD12 LEU A 26 66.927 2.370 6.410 1.00 0.00 H new ATOM 0 HD13 LEU A 26 65.724 1.060 6.463 1.00 0.00 H new ATOM 0 HD21 LEU A 26 64.892 1.448 9.389 1.00 0.00 H new ATOM 0 HD22 LEU A 26 65.250 -0.117 8.622 1.00 0.00 H new ATOM 0 HD23 LEU A 26 66.110 0.365 10.104 1.00 0.00 H new ATOM 448 N TYR A 27 69.987 3.114 8.620 1.00 0.00 N ATOM 449 CA TYR A 27 70.549 3.901 9.758 1.00 0.00 C ATOM 450 C TYR A 27 69.439 4.679 10.470 1.00 0.00 C ATOM 451 O TYR A 27 69.314 4.622 11.679 1.00 0.00 O ATOM 452 CB TYR A 27 71.555 4.860 9.125 1.00 0.00 C ATOM 453 CG TYR A 27 72.398 5.594 10.140 1.00 0.00 C ATOM 454 CD1 TYR A 27 73.133 4.868 11.108 1.00 0.00 C ATOM 455 CD2 TYR A 27 72.451 7.009 10.127 1.00 0.00 C ATOM 456 CE1 TYR A 27 73.920 5.555 12.064 1.00 0.00 C ATOM 457 CE2 TYR A 27 73.240 7.697 11.082 1.00 0.00 C ATOM 458 CZ TYR A 27 73.974 6.970 12.050 1.00 0.00 C ATOM 459 OH TYR A 27 74.741 7.640 12.980 1.00 0.00 O ATOM 0 H TYR A 27 69.815 3.648 7.768 1.00 0.00 H new ATOM 0 HA TYR A 27 71.015 3.260 10.507 1.00 0.00 H new ATOM 0 HB2 TYR A 27 72.209 4.301 8.456 1.00 0.00 H new ATOM 0 HB3 TYR A 27 71.019 5.586 8.514 1.00 0.00 H new ATOM 0 HD1 TYR A 27 73.093 3.789 11.117 1.00 0.00 H new ATOM 0 HD2 TYR A 27 71.890 7.564 9.389 1.00 0.00 H new ATOM 0 HE1 TYR A 27 74.479 5.000 12.803 1.00 0.00 H new ATOM 0 HE2 TYR A 27 73.281 8.776 11.071 1.00 0.00 H new ATOM 0 HH TYR A 27 74.668 8.606 12.830 1.00 0.00 H new ATOM 469 N THR A 28 68.634 5.403 9.726 1.00 0.00 N ATOM 470 CA THR A 28 67.554 6.227 10.357 1.00 0.00 C ATOM 471 C THR A 28 66.401 6.440 9.370 1.00 0.00 C ATOM 472 O THR A 28 66.582 6.369 8.169 1.00 0.00 O ATOM 473 CB THR A 28 68.213 7.565 10.704 1.00 0.00 C ATOM 474 OG1 THR A 28 68.969 8.024 9.592 1.00 0.00 O ATOM 475 CG2 THR A 28 69.134 7.391 11.913 1.00 0.00 C ATOM 0 H THR A 28 68.679 5.458 8.708 1.00 0.00 H new ATOM 0 HA THR A 28 67.135 5.741 11.238 1.00 0.00 H new ATOM 0 HB THR A 28 67.440 8.295 10.944 1.00 0.00 H new ATOM 0 HG1 THR A 28 69.913 7.796 9.722 1.00 0.00 H new ATOM 0 HG21 THR A 28 69.600 8.346 12.156 1.00 0.00 H new ATOM 0 HG22 THR A 28 68.552 7.044 12.767 1.00 0.00 H new ATOM 0 HG23 THR A 28 69.907 6.659 11.679 1.00 0.00 H new ATOM 483 N VAL A 29 65.219 6.702 9.876 1.00 0.00 N ATOM 484 CA VAL A 29 64.032 6.894 8.983 1.00 0.00 C ATOM 485 C VAL A 29 63.128 8.007 9.538 1.00 0.00 C ATOM 486 O VAL A 29 62.997 8.167 10.738 1.00 0.00 O ATOM 487 CB VAL A 29 63.315 5.530 8.965 1.00 0.00 C ATOM 488 CG1 VAL A 29 62.856 5.148 10.379 1.00 0.00 C ATOM 489 CG2 VAL A 29 62.096 5.597 8.038 1.00 0.00 C ATOM 0 H VAL A 29 65.025 6.791 10.873 1.00 0.00 H new ATOM 0 HA VAL A 29 64.310 7.202 7.975 1.00 0.00 H new ATOM 0 HB VAL A 29 64.013 4.776 8.601 1.00 0.00 H new ATOM 0 HG11 VAL A 29 62.351 4.182 10.349 1.00 0.00 H new ATOM 0 HG12 VAL A 29 63.722 5.085 11.038 1.00 0.00 H new ATOM 0 HG13 VAL A 29 62.168 5.905 10.755 1.00 0.00 H new ATOM 0 HG21 VAL A 29 61.592 4.630 8.029 1.00 0.00 H new ATOM 0 HG22 VAL A 29 61.407 6.361 8.397 1.00 0.00 H new ATOM 0 HG23 VAL A 29 62.420 5.847 7.028 1.00 0.00 H new ATOM 499 N ASP A 30 62.507 8.770 8.669 1.00 0.00 N ATOM 500 CA ASP A 30 61.564 9.833 9.128 1.00 0.00 C ATOM 501 C ASP A 30 60.226 9.691 8.382 1.00 0.00 C ATOM 502 O ASP A 30 60.107 10.144 7.259 1.00 0.00 O ATOM 503 CB ASP A 30 62.248 11.151 8.760 1.00 0.00 C ATOM 504 CG ASP A 30 61.658 12.285 9.601 1.00 0.00 C ATOM 505 OD1 ASP A 30 60.454 12.473 9.543 1.00 0.00 O ATOM 506 OD2 ASP A 30 62.420 12.946 10.288 1.00 0.00 O ATOM 0 H ASP A 30 62.615 8.699 7.657 1.00 0.00 H new ATOM 0 HA ASP A 30 61.348 9.774 10.195 1.00 0.00 H new ATOM 0 HB2 ASP A 30 63.322 11.076 8.933 1.00 0.00 H new ATOM 0 HB3 ASP A 30 62.110 11.361 7.699 1.00 0.00 H new ATOM 511 N PRO A 31 59.254 9.060 9.025 1.00 0.00 N ATOM 512 CA PRO A 31 57.950 8.784 8.354 1.00 0.00 C ATOM 513 C PRO A 31 57.278 10.086 7.903 1.00 0.00 C ATOM 514 O PRO A 31 56.766 10.179 6.801 1.00 0.00 O ATOM 515 CB PRO A 31 57.113 8.082 9.429 1.00 0.00 C ATOM 516 CG PRO A 31 58.092 7.617 10.460 1.00 0.00 C ATOM 517 CD PRO A 31 59.268 8.552 10.406 1.00 0.00 C ATOM 0 HA PRO A 31 58.066 8.179 7.455 1.00 0.00 H new ATOM 0 HB2 PRO A 31 56.381 8.763 9.863 1.00 0.00 H new ATOM 0 HB3 PRO A 31 56.558 7.243 9.008 1.00 0.00 H new ATOM 0 HG2 PRO A 31 57.640 7.624 11.452 1.00 0.00 H new ATOM 0 HG3 PRO A 31 58.405 6.592 10.260 1.00 0.00 H new ATOM 0 HD2 PRO A 31 59.169 9.361 11.130 1.00 0.00 H new ATOM 0 HD3 PRO A 31 60.200 8.035 10.632 1.00 0.00 H new ATOM 525 N GLN A 32 57.288 11.095 8.736 1.00 0.00 N ATOM 526 CA GLN A 32 56.484 12.324 8.437 1.00 0.00 C ATOM 527 C GLN A 32 57.236 13.222 7.448 1.00 0.00 C ATOM 528 O GLN A 32 56.633 14.016 6.748 1.00 0.00 O ATOM 529 CB GLN A 32 56.287 13.030 9.780 1.00 0.00 C ATOM 530 CG GLN A 32 55.413 12.164 10.693 1.00 0.00 C ATOM 531 CD GLN A 32 55.242 12.855 12.047 1.00 0.00 C ATOM 532 OE1 GLN A 32 56.152 13.492 12.539 1.00 0.00 O ATOM 533 NE2 GLN A 32 54.102 12.754 12.677 1.00 0.00 N ATOM 0 H GLN A 32 57.816 11.124 9.608 1.00 0.00 H new ATOM 0 HA GLN A 32 55.526 12.082 7.976 1.00 0.00 H new ATOM 0 HB2 GLN A 32 57.253 13.213 10.251 1.00 0.00 H new ATOM 0 HB3 GLN A 32 55.818 14.002 9.626 1.00 0.00 H new ATOM 0 HG2 GLN A 32 54.439 12.000 10.232 1.00 0.00 H new ATOM 0 HG3 GLN A 32 55.871 11.184 10.829 1.00 0.00 H new ATOM 0 HE21 GLN A 32 53.337 12.219 12.265 1.00 0.00 H new ATOM 0 HE22 GLN A 32 53.977 13.210 13.581 1.00 0.00 H new ATOM 542 N GLU A 33 58.539 13.106 7.384 1.00 0.00 N ATOM 543 CA GLU A 33 59.311 13.848 6.338 1.00 0.00 C ATOM 544 C GLU A 33 59.395 13.039 5.029 1.00 0.00 C ATOM 545 O GLU A 33 60.003 13.480 4.071 1.00 0.00 O ATOM 546 CB GLU A 33 60.710 14.042 6.932 1.00 0.00 C ATOM 547 CG GLU A 33 60.633 14.969 8.151 1.00 0.00 C ATOM 548 CD GLU A 33 60.289 16.393 7.699 1.00 0.00 C ATOM 549 OE1 GLU A 33 60.833 16.824 6.695 1.00 0.00 O ATOM 550 OE2 GLU A 33 59.489 17.026 8.367 1.00 0.00 O ATOM 0 H GLU A 33 59.102 12.530 8.010 1.00 0.00 H new ATOM 0 HA GLU A 33 58.833 14.795 6.087 1.00 0.00 H new ATOM 0 HB2 GLU A 33 61.129 13.078 7.222 1.00 0.00 H new ATOM 0 HB3 GLU A 33 61.378 14.467 6.182 1.00 0.00 H new ATOM 0 HG2 GLU A 33 59.878 14.606 8.848 1.00 0.00 H new ATOM 0 HG3 GLU A 33 61.585 14.966 8.682 1.00 0.00 H new ATOM 557 N CYS A 34 58.793 11.859 4.974 1.00 0.00 N ATOM 558 CA CYS A 34 58.899 10.987 3.750 1.00 0.00 C ATOM 559 C CYS A 34 60.364 10.824 3.309 1.00 0.00 C ATOM 560 O CYS A 34 60.668 10.828 2.128 1.00 0.00 O ATOM 561 CB CYS A 34 58.086 11.707 2.669 1.00 0.00 C ATOM 562 SG CYS A 34 56.321 11.426 2.954 1.00 0.00 S ATOM 0 H CYS A 34 58.232 11.466 5.730 1.00 0.00 H new ATOM 0 HA CYS A 34 58.524 9.981 3.942 1.00 0.00 H new ATOM 0 HB2 CYS A 34 58.303 12.775 2.687 1.00 0.00 H new ATOM 0 HB3 CYS A 34 58.369 11.341 1.682 1.00 0.00 H new ATOM 0 HG CYS A 34 55.631 12.039 2.038 1.00 0.00 H new ATOM 568 N THR A 35 61.269 10.676 4.249 1.00 0.00 N ATOM 569 CA THR A 35 62.720 10.629 3.892 1.00 0.00 C ATOM 570 C THR A 35 63.424 9.509 4.660 1.00 0.00 C ATOM 571 O THR A 35 62.993 9.113 5.725 1.00 0.00 O ATOM 572 CB THR A 35 63.274 11.996 4.306 1.00 0.00 C ATOM 573 OG1 THR A 35 62.870 12.283 5.638 1.00 0.00 O ATOM 574 CG2 THR A 35 62.746 13.086 3.365 1.00 0.00 C ATOM 0 H THR A 35 61.064 10.586 5.244 1.00 0.00 H new ATOM 0 HA THR A 35 62.876 10.428 2.832 1.00 0.00 H new ATOM 0 HB THR A 35 64.362 11.974 4.247 1.00 0.00 H new ATOM 0 HG1 THR A 35 63.224 13.156 5.906 1.00 0.00 H new ATOM 0 HG21 THR A 35 63.146 14.054 3.668 1.00 0.00 H new ATOM 0 HG22 THR A 35 63.059 12.868 2.344 1.00 0.00 H new ATOM 0 HG23 THR A 35 61.657 13.112 3.413 1.00 0.00 H new ATOM 582 N ILE A 36 64.504 9.002 4.121 1.00 0.00 N ATOM 583 CA ILE A 36 65.276 7.937 4.833 1.00 0.00 C ATOM 584 C ILE A 36 66.780 8.154 4.630 1.00 0.00 C ATOM 585 O ILE A 36 67.194 8.843 3.717 1.00 0.00 O ATOM 586 CB ILE A 36 64.823 6.604 4.209 1.00 0.00 C ATOM 587 CG1 ILE A 36 65.080 6.605 2.692 1.00 0.00 C ATOM 588 CG2 ILE A 36 63.327 6.395 4.468 1.00 0.00 C ATOM 589 CD1 ILE A 36 64.914 5.187 2.143 1.00 0.00 C ATOM 0 H ILE A 36 64.886 9.280 3.217 1.00 0.00 H new ATOM 0 HA ILE A 36 65.095 7.950 5.908 1.00 0.00 H new ATOM 0 HB ILE A 36 65.394 5.795 4.665 1.00 0.00 H new ATOM 0 HG12 ILE A 36 64.385 7.282 2.196 1.00 0.00 H new ATOM 0 HG13 ILE A 36 66.085 6.971 2.483 1.00 0.00 H new ATOM 0 HG21 ILE A 36 63.009 5.451 4.025 1.00 0.00 H new ATOM 0 HG22 ILE A 36 63.143 6.372 5.542 1.00 0.00 H new ATOM 0 HG23 ILE A 36 62.763 7.213 4.021 1.00 0.00 H new ATOM 0 HD11 ILE A 36 65.096 5.189 1.068 1.00 0.00 H new ATOM 0 HD12 ILE A 36 65.627 4.522 2.631 1.00 0.00 H new ATOM 0 HD13 ILE A 36 63.900 4.838 2.338 1.00 0.00 H new ATOM 601 N ALA A 37 67.592 7.572 5.475 1.00 0.00 N ATOM 602 CA ALA A 37 69.071 7.645 5.277 1.00 0.00 C ATOM 603 C ALA A 37 69.692 6.272 5.532 1.00 0.00 C ATOM 604 O ALA A 37 69.477 5.670 6.570 1.00 0.00 O ATOM 605 CB ALA A 37 69.572 8.668 6.299 1.00 0.00 C ATOM 0 H ALA A 37 67.293 7.047 6.297 1.00 0.00 H new ATOM 0 HA ALA A 37 69.340 7.938 4.262 1.00 0.00 H new ATOM 0 HB1 ALA A 37 70.653 8.772 6.210 1.00 0.00 H new ATOM 0 HB2 ALA A 37 69.098 9.632 6.112 1.00 0.00 H new ATOM 0 HB3 ALA A 37 69.322 8.330 7.305 1.00 0.00 H new ATOM 611 N LEU A 38 70.459 5.782 4.591 1.00 0.00 N ATOM 612 CA LEU A 38 71.073 4.429 4.740 1.00 0.00 C ATOM 613 C LEU A 38 72.580 4.569 4.946 1.00 0.00 C ATOM 614 O LEU A 38 73.201 5.468 4.411 1.00 0.00 O ATOM 615 CB LEU A 38 70.780 3.705 3.421 1.00 0.00 C ATOM 616 CG LEU A 38 69.267 3.538 3.239 1.00 0.00 C ATOM 617 CD1 LEU A 38 68.980 3.018 1.829 1.00 0.00 C ATOM 618 CD2 LEU A 38 68.731 2.538 4.267 1.00 0.00 C ATOM 0 H LEU A 38 70.687 6.264 3.722 1.00 0.00 H new ATOM 0 HA LEU A 38 70.675 3.884 5.596 1.00 0.00 H new ATOM 0 HB2 LEU A 38 71.195 4.270 2.586 1.00 0.00 H new ATOM 0 HB3 LEU A 38 71.265 2.729 3.417 1.00 0.00 H new ATOM 0 HG LEU A 38 68.777 4.501 3.382 1.00 0.00 H new ATOM 0 HD11 LEU A 38 67.905 2.898 1.697 1.00 0.00 H new ATOM 0 HD12 LEU A 38 69.359 3.729 1.095 1.00 0.00 H new ATOM 0 HD13 LEU A 38 69.472 2.055 1.689 1.00 0.00 H new ATOM 0 HD21 LEU A 38 67.655 2.422 4.135 1.00 0.00 H new ATOM 0 HD22 LEU A 38 69.220 1.574 4.126 1.00 0.00 H new ATOM 0 HD23 LEU A 38 68.935 2.905 5.273 1.00 0.00 H new ATOM 630 N SER A 39 73.169 3.689 5.716 1.00 0.00 N ATOM 631 CA SER A 39 74.631 3.795 5.996 1.00 0.00 C ATOM 632 C SER A 39 75.336 2.556 5.452 1.00 0.00 C ATOM 633 O SER A 39 74.743 1.499 5.359 1.00 0.00 O ATOM 634 CB SER A 39 74.744 3.856 7.519 1.00 0.00 C ATOM 635 OG SER A 39 74.283 2.631 8.074 1.00 0.00 O ATOM 0 H SER A 39 72.699 2.902 6.163 1.00 0.00 H new ATOM 0 HA SER A 39 75.090 4.666 5.529 1.00 0.00 H new ATOM 0 HB2 SER A 39 75.779 4.034 7.811 1.00 0.00 H new ATOM 0 HB3 SER A 39 74.156 4.688 7.906 1.00 0.00 H new ATOM 0 HG SER A 39 74.356 2.666 9.051 1.00 0.00 H new ATOM 641 N SER A 40 76.596 2.681 5.091 1.00 0.00 N ATOM 642 CA SER A 40 77.321 1.569 4.386 1.00 0.00 C ATOM 643 C SER A 40 76.446 0.990 3.261 1.00 0.00 C ATOM 644 O SER A 40 75.754 0.002 3.437 1.00 0.00 O ATOM 645 CB SER A 40 77.634 0.523 5.465 1.00 0.00 C ATOM 646 OG SER A 40 76.461 -0.207 5.799 1.00 0.00 O ATOM 0 H SER A 40 77.158 3.516 5.257 1.00 0.00 H new ATOM 0 HA SER A 40 78.239 1.913 3.909 1.00 0.00 H new ATOM 0 HB2 SER A 40 78.405 -0.159 5.107 1.00 0.00 H new ATOM 0 HB3 SER A 40 78.030 1.014 6.354 1.00 0.00 H new ATOM 0 HG SER A 40 75.712 0.109 5.251 1.00 0.00 H new ATOM 652 N VAL A 41 76.471 1.623 2.115 1.00 0.00 N ATOM 653 CA VAL A 41 75.643 1.160 0.962 1.00 0.00 C ATOM 654 C VAL A 41 76.492 1.160 -0.320 1.00 0.00 C ATOM 655 O VAL A 41 77.420 1.937 -0.456 1.00 0.00 O ATOM 656 CB VAL A 41 74.474 2.161 0.882 1.00 0.00 C ATOM 657 CG1 VAL A 41 75.001 3.562 0.563 1.00 0.00 C ATOM 658 CG2 VAL A 41 73.480 1.731 -0.207 1.00 0.00 C ATOM 0 H VAL A 41 77.037 2.451 1.928 1.00 0.00 H new ATOM 0 HA VAL A 41 75.274 0.142 1.082 1.00 0.00 H new ATOM 0 HB VAL A 41 73.966 2.177 1.846 1.00 0.00 H new ATOM 0 HG11 VAL A 41 74.166 4.261 0.509 1.00 0.00 H new ATOM 0 HG12 VAL A 41 75.690 3.879 1.346 1.00 0.00 H new ATOM 0 HG13 VAL A 41 75.523 3.545 -0.394 1.00 0.00 H new ATOM 0 HG21 VAL A 41 72.659 2.446 -0.253 1.00 0.00 H new ATOM 0 HG22 VAL A 41 73.988 1.699 -1.171 1.00 0.00 H new ATOM 0 HG23 VAL A 41 73.087 0.742 0.029 1.00 0.00 H new ATOM 668 N ARG A 42 76.180 0.295 -1.251 1.00 0.00 N ATOM 669 CA ARG A 42 76.933 0.261 -2.543 1.00 0.00 C ATOM 670 C ARG A 42 75.959 0.108 -3.718 1.00 0.00 C ATOM 671 O ARG A 42 74.879 -0.431 -3.567 1.00 0.00 O ATOM 672 CB ARG A 42 77.872 -0.954 -2.438 1.00 0.00 C ATOM 673 CG ARG A 42 77.066 -2.246 -2.241 1.00 0.00 C ATOM 674 CD ARG A 42 78.020 -3.402 -1.926 1.00 0.00 C ATOM 675 NE ARG A 42 77.159 -4.628 -1.883 1.00 0.00 N ATOM 676 CZ ARG A 42 77.680 -5.838 -1.965 1.00 0.00 C ATOM 677 NH1 ARG A 42 78.976 -6.024 -2.079 1.00 0.00 N ATOM 678 NH2 ARG A 42 76.890 -6.875 -1.929 1.00 0.00 N ATOM 0 H ARG A 42 75.432 -0.394 -1.172 1.00 0.00 H new ATOM 0 HA ARG A 42 77.493 1.179 -2.719 1.00 0.00 H new ATOM 0 HB2 ARG A 42 78.478 -1.031 -3.341 1.00 0.00 H new ATOM 0 HB3 ARG A 42 78.560 -0.818 -1.604 1.00 0.00 H new ATOM 0 HG2 ARG A 42 76.350 -2.120 -1.429 1.00 0.00 H new ATOM 0 HG3 ARG A 42 76.492 -2.469 -3.140 1.00 0.00 H new ATOM 0 HD2 ARG A 42 78.794 -3.492 -2.689 1.00 0.00 H new ATOM 0 HD3 ARG A 42 78.527 -3.245 -0.974 1.00 0.00 H new ATOM 0 HE ARG A 42 76.149 -4.525 -1.788 1.00 0.00 H new ATOM 0 HH11 ARG A 42 79.606 -5.222 -2.106 1.00 0.00 H new ATOM 0 HH12 ARG A 42 79.352 -6.970 -2.140 1.00 0.00 H new ATOM 0 HH21 ARG A 42 75.882 -6.746 -1.838 1.00 0.00 H new ATOM 0 HH22 ARG A 42 77.280 -7.816 -1.991 1.00 0.00 H new ATOM 692 N SER A 43 76.338 0.584 -4.881 1.00 0.00 N ATOM 693 CA SER A 43 75.467 0.427 -6.087 1.00 0.00 C ATOM 694 C SER A 43 76.103 -0.574 -7.055 1.00 0.00 C ATOM 695 O SER A 43 77.299 -0.550 -7.280 1.00 0.00 O ATOM 696 CB SER A 43 75.401 1.821 -6.712 1.00 0.00 C ATOM 697 OG SER A 43 76.673 2.158 -7.251 1.00 0.00 O ATOM 0 H SER A 43 77.216 1.076 -5.046 1.00 0.00 H new ATOM 0 HA SER A 43 74.474 0.050 -5.843 1.00 0.00 H new ATOM 0 HB2 SER A 43 74.644 1.845 -7.496 1.00 0.00 H new ATOM 0 HB3 SER A 43 75.106 2.554 -5.962 1.00 0.00 H new ATOM 0 HG SER A 43 76.705 3.120 -7.438 1.00 0.00 H new ATOM 703 N PHE A 44 75.313 -1.451 -7.629 1.00 0.00 N ATOM 704 CA PHE A 44 75.900 -2.557 -8.451 1.00 0.00 C ATOM 705 C PHE A 44 76.204 -2.086 -9.877 1.00 0.00 C ATOM 706 O PHE A 44 77.208 -2.463 -10.453 1.00 0.00 O ATOM 707 CB PHE A 44 74.834 -3.654 -8.466 1.00 0.00 C ATOM 708 CG PHE A 44 74.724 -4.399 -7.157 1.00 0.00 C ATOM 709 CD1 PHE A 44 75.508 -5.557 -6.934 1.00 0.00 C ATOM 710 CD2 PHE A 44 73.839 -3.938 -6.153 1.00 0.00 C ATOM 711 CE1 PHE A 44 75.408 -6.253 -5.704 1.00 0.00 C ATOM 712 CE2 PHE A 44 73.738 -4.634 -4.925 1.00 0.00 C ATOM 713 CZ PHE A 44 74.522 -5.792 -4.700 1.00 0.00 C ATOM 0 H PHE A 44 74.295 -1.449 -7.565 1.00 0.00 H new ATOM 0 HA PHE A 44 76.845 -2.906 -8.035 1.00 0.00 H new ATOM 0 HB2 PHE A 44 73.868 -3.209 -8.705 1.00 0.00 H new ATOM 0 HB3 PHE A 44 75.064 -4.363 -9.261 1.00 0.00 H new ATOM 0 HD1 PHE A 44 76.182 -5.909 -7.701 1.00 0.00 H new ATOM 0 HD2 PHE A 44 73.241 -3.055 -6.324 1.00 0.00 H new ATOM 0 HE1 PHE A 44 76.007 -7.135 -5.532 1.00 0.00 H new ATOM 0 HE2 PHE A 44 73.063 -4.282 -4.159 1.00 0.00 H new ATOM 0 HZ PHE A 44 74.444 -6.323 -3.763 1.00 0.00 H new ATOM 723 N GLY A 45 75.352 -1.269 -10.452 1.00 0.00 N ATOM 724 CA GLY A 45 75.652 -0.707 -11.800 1.00 0.00 C ATOM 725 C GLY A 45 74.404 -0.052 -12.391 1.00 0.00 C ATOM 726 O GLY A 45 73.311 -0.194 -11.874 1.00 0.00 O ATOM 0 H GLY A 45 74.466 -0.970 -10.044 1.00 0.00 H new ATOM 0 HA2 GLY A 45 76.455 0.026 -11.725 1.00 0.00 H new ATOM 0 HA3 GLY A 45 76.004 -1.499 -12.462 1.00 0.00 H new ATOM 730 N THR A 46 74.569 0.668 -13.472 1.00 0.00 N ATOM 731 CA THR A 46 73.390 1.183 -14.239 1.00 0.00 C ATOM 732 C THR A 46 73.375 0.611 -15.669 1.00 0.00 C ATOM 733 O THR A 46 72.557 0.997 -16.483 1.00 0.00 O ATOM 734 CB THR A 46 73.574 2.703 -14.272 1.00 0.00 C ATOM 735 OG1 THR A 46 74.859 3.010 -14.795 1.00 0.00 O ATOM 736 CG2 THR A 46 73.448 3.280 -12.856 1.00 0.00 C ATOM 0 H THR A 46 75.477 0.924 -13.860 1.00 0.00 H new ATOM 0 HA THR A 46 72.446 0.891 -13.778 1.00 0.00 H new ATOM 0 HB THR A 46 72.803 3.143 -14.905 1.00 0.00 H new ATOM 0 HG1 THR A 46 74.979 3.982 -14.819 1.00 0.00 H new ATOM 0 HG21 THR A 46 73.580 4.361 -12.891 1.00 0.00 H new ATOM 0 HG22 THR A 46 72.461 3.048 -12.455 1.00 0.00 H new ATOM 0 HG23 THR A 46 74.213 2.841 -12.215 1.00 0.00 H new ATOM 744 N GLU A 47 74.273 -0.307 -15.976 1.00 0.00 N ATOM 745 CA GLU A 47 74.520 -0.712 -17.399 1.00 0.00 C ATOM 746 C GLU A 47 73.230 -1.151 -18.112 1.00 0.00 C ATOM 747 O GLU A 47 73.141 -1.090 -19.324 1.00 0.00 O ATOM 748 CB GLU A 47 75.502 -1.887 -17.318 1.00 0.00 C ATOM 749 CG GLU A 47 76.023 -2.222 -18.718 1.00 0.00 C ATOM 750 CD GLU A 47 76.889 -3.483 -18.655 1.00 0.00 C ATOM 751 OE1 GLU A 47 76.495 -4.419 -17.979 1.00 0.00 O ATOM 752 OE2 GLU A 47 77.934 -3.490 -19.286 1.00 0.00 O ATOM 0 H GLU A 47 74.849 -0.795 -15.290 1.00 0.00 H new ATOM 0 HA GLU A 47 74.910 0.127 -17.976 1.00 0.00 H new ATOM 0 HB2 GLU A 47 76.334 -1.633 -16.661 1.00 0.00 H new ATOM 0 HB3 GLU A 47 75.008 -2.757 -16.886 1.00 0.00 H new ATOM 0 HG2 GLU A 47 75.187 -2.376 -19.401 1.00 0.00 H new ATOM 0 HG3 GLU A 47 76.605 -1.388 -19.110 1.00 0.00 H new ATOM 759 N ASP A 48 72.236 -1.592 -17.377 1.00 0.00 N ATOM 760 CA ASP A 48 70.980 -2.083 -18.038 1.00 0.00 C ATOM 761 C ASP A 48 70.265 -0.928 -18.752 1.00 0.00 C ATOM 762 O ASP A 48 70.052 -0.968 -19.951 1.00 0.00 O ATOM 763 CB ASP A 48 70.107 -2.629 -16.904 1.00 0.00 C ATOM 764 CG ASP A 48 70.774 -3.863 -16.289 1.00 0.00 C ATOM 765 OD1 ASP A 48 71.281 -4.678 -17.043 1.00 0.00 O ATOM 766 OD2 ASP A 48 70.766 -3.972 -15.074 1.00 0.00 O ATOM 0 H ASP A 48 72.237 -1.634 -16.358 1.00 0.00 H new ATOM 0 HA ASP A 48 71.190 -2.843 -18.790 1.00 0.00 H new ATOM 0 HB2 ASP A 48 69.963 -1.863 -16.142 1.00 0.00 H new ATOM 0 HB3 ASP A 48 69.119 -2.889 -17.285 1.00 0.00 H new ATOM 771 N ARG A 49 69.897 0.096 -18.023 1.00 0.00 N ATOM 772 CA ARG A 49 69.252 1.292 -18.655 1.00 0.00 C ATOM 773 C ARG A 49 70.287 2.384 -18.977 1.00 0.00 C ATOM 774 O ARG A 49 69.927 3.495 -19.320 1.00 0.00 O ATOM 775 CB ARG A 49 68.246 1.796 -17.619 1.00 0.00 C ATOM 776 CG ARG A 49 67.122 0.768 -17.454 1.00 0.00 C ATOM 777 CD ARG A 49 66.242 0.759 -18.708 1.00 0.00 C ATOM 778 NE ARG A 49 65.103 -0.154 -18.378 1.00 0.00 N ATOM 779 CZ ARG A 49 65.245 -1.467 -18.376 1.00 0.00 C ATOM 780 NH1 ARG A 49 66.397 -2.036 -18.652 1.00 0.00 N ATOM 781 NH2 ARG A 49 64.217 -2.217 -18.089 1.00 0.00 N ATOM 0 H ARG A 49 70.016 0.157 -17.012 1.00 0.00 H new ATOM 0 HA ARG A 49 68.778 1.035 -19.602 1.00 0.00 H new ATOM 0 HB2 ARG A 49 68.744 1.962 -16.664 1.00 0.00 H new ATOM 0 HB3 ARG A 49 67.833 2.754 -17.934 1.00 0.00 H new ATOM 0 HG2 ARG A 49 67.544 -0.223 -17.287 1.00 0.00 H new ATOM 0 HG3 ARG A 49 66.521 1.010 -16.578 1.00 0.00 H new ATOM 0 HD2 ARG A 49 65.887 1.761 -18.948 1.00 0.00 H new ATOM 0 HD3 ARG A 49 66.796 0.401 -19.576 1.00 0.00 H new ATOM 0 HE ARG A 49 64.194 0.248 -18.149 1.00 0.00 H new ATOM 0 HH11 ARG A 49 67.209 -1.461 -18.875 1.00 0.00 H new ATOM 0 HH12 ARG A 49 66.479 -3.053 -18.643 1.00 0.00 H new ATOM 0 HH21 ARG A 49 63.318 -1.788 -17.870 1.00 0.00 H new ATOM 0 HH22 ARG A 49 64.312 -3.233 -18.084 1.00 0.00 H new ATOM 795 N ASP A 50 71.565 2.083 -18.871 1.00 0.00 N ATOM 796 CA ASP A 50 72.613 3.159 -18.957 1.00 0.00 C ATOM 797 C ASP A 50 72.517 3.935 -20.280 1.00 0.00 C ATOM 798 O ASP A 50 71.799 3.554 -21.186 1.00 0.00 O ATOM 799 CB ASP A 50 73.970 2.433 -18.864 1.00 0.00 C ATOM 800 CG ASP A 50 74.137 1.422 -20.014 1.00 0.00 C ATOM 801 OD1 ASP A 50 73.206 1.257 -20.789 1.00 0.00 O ATOM 802 OD2 ASP A 50 75.201 0.831 -20.099 1.00 0.00 O ATOM 0 H ASP A 50 71.927 1.140 -18.729 1.00 0.00 H new ATOM 0 HA ASP A 50 72.483 3.890 -18.159 1.00 0.00 H new ATOM 0 HB2 ASP A 50 74.779 3.162 -18.896 1.00 0.00 H new ATOM 0 HB3 ASP A 50 74.045 1.916 -17.907 1.00 0.00 H new ATOM 807 N THR A 51 73.244 5.020 -20.379 1.00 0.00 N ATOM 808 CA THR A 51 73.308 5.787 -21.662 1.00 0.00 C ATOM 809 C THR A 51 74.266 5.091 -22.630 1.00 0.00 C ATOM 810 O THR A 51 75.049 4.247 -22.235 1.00 0.00 O ATOM 811 CB THR A 51 73.838 7.173 -21.284 1.00 0.00 C ATOM 812 OG1 THR A 51 73.091 7.680 -20.186 1.00 0.00 O ATOM 813 CG2 THR A 51 73.700 8.118 -22.479 1.00 0.00 C ATOM 0 H THR A 51 73.801 5.411 -19.619 1.00 0.00 H new ATOM 0 HA THR A 51 72.338 5.852 -22.154 1.00 0.00 H new ATOM 0 HB THR A 51 74.889 7.097 -21.005 1.00 0.00 H new ATOM 0 HG1 THR A 51 73.430 8.566 -19.941 1.00 0.00 H new ATOM 0 HG21 THR A 51 74.078 9.104 -22.209 1.00 0.00 H new ATOM 0 HG22 THR A 51 74.274 7.728 -23.320 1.00 0.00 H new ATOM 0 HG23 THR A 51 72.650 8.196 -22.762 1.00 0.00 H new ATOM 821 N GLN A 52 74.210 5.440 -23.893 1.00 0.00 N ATOM 822 CA GLN A 52 75.109 4.779 -24.895 1.00 0.00 C ATOM 823 C GLN A 52 76.543 5.341 -24.810 1.00 0.00 C ATOM 824 O GLN A 52 77.396 4.980 -25.599 1.00 0.00 O ATOM 825 CB GLN A 52 74.490 5.064 -26.276 1.00 0.00 C ATOM 826 CG GLN A 52 74.374 6.576 -26.523 1.00 0.00 C ATOM 827 CD GLN A 52 74.239 6.839 -28.024 1.00 0.00 C ATOM 828 OE1 GLN A 52 74.850 6.164 -28.830 1.00 0.00 O ATOM 829 NE2 GLN A 52 73.459 7.800 -28.438 1.00 0.00 N ATOM 0 H GLN A 52 73.584 6.150 -24.273 1.00 0.00 H new ATOM 0 HA GLN A 52 75.187 3.708 -24.707 1.00 0.00 H new ATOM 0 HB2 GLN A 52 75.103 4.610 -27.055 1.00 0.00 H new ATOM 0 HB3 GLN A 52 73.504 4.604 -26.339 1.00 0.00 H new ATOM 0 HG2 GLN A 52 73.509 6.976 -25.994 1.00 0.00 H new ATOM 0 HG3 GLN A 52 75.253 7.088 -26.131 1.00 0.00 H new ATOM 0 HE21 GLN A 52 72.946 8.367 -27.763 1.00 0.00 H new ATOM 0 HE22 GLN A 52 73.362 7.984 -29.437 1.00 0.00 H new ATOM 838 N PHE A 53 76.812 6.217 -23.865 1.00 0.00 N ATOM 839 CA PHE A 53 78.227 6.567 -23.539 1.00 0.00 C ATOM 840 C PHE A 53 78.687 5.750 -22.326 1.00 0.00 C ATOM 841 O PHE A 53 77.901 5.430 -21.454 1.00 0.00 O ATOM 842 CB PHE A 53 78.207 8.064 -23.213 1.00 0.00 C ATOM 843 CG PHE A 53 78.433 8.952 -24.417 1.00 0.00 C ATOM 844 CD1 PHE A 53 77.730 8.711 -25.625 1.00 0.00 C ATOM 845 CD2 PHE A 53 79.346 10.032 -24.335 1.00 0.00 C ATOM 846 CE1 PHE A 53 77.943 9.547 -26.747 1.00 0.00 C ATOM 847 CE2 PHE A 53 79.559 10.868 -25.458 1.00 0.00 C ATOM 848 CZ PHE A 53 78.857 10.625 -26.664 1.00 0.00 C ATOM 0 H PHE A 53 76.109 6.702 -23.308 1.00 0.00 H new ATOM 0 HA PHE A 53 78.914 6.349 -24.357 1.00 0.00 H new ATOM 0 HB2 PHE A 53 77.247 8.316 -22.762 1.00 0.00 H new ATOM 0 HB3 PHE A 53 78.974 8.275 -22.468 1.00 0.00 H new ATOM 0 HD1 PHE A 53 77.032 7.889 -25.689 1.00 0.00 H new ATOM 0 HD2 PHE A 53 79.880 10.218 -23.415 1.00 0.00 H new ATOM 0 HE1 PHE A 53 77.408 9.363 -27.667 1.00 0.00 H new ATOM 0 HE2 PHE A 53 80.256 11.690 -25.395 1.00 0.00 H new ATOM 0 HZ PHE A 53 79.019 11.262 -27.521 1.00 0.00 H new ATOM 858 N GLN A 54 79.952 5.413 -22.267 1.00 0.00 N ATOM 859 CA GLN A 54 80.446 4.515 -21.169 1.00 0.00 C ATOM 860 C GLN A 54 80.329 5.208 -19.803 1.00 0.00 C ATOM 861 O GLN A 54 80.555 6.397 -19.679 1.00 0.00 O ATOM 862 CB GLN A 54 81.917 4.209 -21.507 1.00 0.00 C ATOM 863 CG GLN A 54 82.751 5.500 -21.532 1.00 0.00 C ATOM 864 CD GLN A 54 84.231 5.150 -21.704 1.00 0.00 C ATOM 865 OE1 GLN A 54 84.701 4.165 -21.171 1.00 0.00 O ATOM 866 NE2 GLN A 54 84.991 5.923 -22.432 1.00 0.00 N ATOM 0 H GLN A 54 80.665 5.719 -22.929 1.00 0.00 H new ATOM 0 HA GLN A 54 79.855 3.602 -21.103 1.00 0.00 H new ATOM 0 HB2 GLN A 54 82.328 3.519 -20.770 1.00 0.00 H new ATOM 0 HB3 GLN A 54 81.977 3.713 -22.476 1.00 0.00 H new ATOM 0 HG2 GLN A 54 82.421 6.142 -22.348 1.00 0.00 H new ATOM 0 HG3 GLN A 54 82.604 6.058 -20.608 1.00 0.00 H new ATOM 0 HE21 GLN A 54 84.597 6.750 -22.880 1.00 0.00 H new ATOM 0 HE22 GLN A 54 85.979 5.699 -22.553 1.00 0.00 H new ATOM 875 N ILE A 55 79.975 4.463 -18.781 1.00 0.00 N ATOM 876 CA ILE A 55 79.899 5.045 -17.403 1.00 0.00 C ATOM 877 C ILE A 55 80.943 4.369 -16.505 1.00 0.00 C ATOM 878 O ILE A 55 81.100 3.162 -16.526 1.00 0.00 O ATOM 879 CB ILE A 55 78.473 4.748 -16.902 1.00 0.00 C ATOM 880 CG1 ILE A 55 77.446 5.380 -17.851 1.00 0.00 C ATOM 881 CG2 ILE A 55 78.285 5.339 -15.500 1.00 0.00 C ATOM 882 CD1 ILE A 55 76.044 4.866 -17.511 1.00 0.00 C ATOM 0 H ILE A 55 79.735 3.474 -18.843 1.00 0.00 H new ATOM 0 HA ILE A 55 80.103 6.116 -17.393 1.00 0.00 H new ATOM 0 HB ILE A 55 78.327 3.668 -16.870 1.00 0.00 H new ATOM 0 HG12 ILE A 55 77.477 6.466 -17.764 1.00 0.00 H new ATOM 0 HG13 ILE A 55 77.693 5.136 -18.884 1.00 0.00 H new ATOM 0 HG21 ILE A 55 77.275 5.127 -15.148 1.00 0.00 H new ATOM 0 HG22 ILE A 55 79.008 4.893 -14.817 1.00 0.00 H new ATOM 0 HG23 ILE A 55 78.438 6.418 -15.536 1.00 0.00 H new ATOM 0 HD11 ILE A 55 75.317 5.317 -18.187 1.00 0.00 H new ATOM 0 HD12 ILE A 55 76.017 3.782 -17.621 1.00 0.00 H new ATOM 0 HD13 ILE A 55 75.798 5.133 -16.483 1.00 0.00 H new ATOM 894 N ALA A 56 81.655 5.142 -15.719 1.00 0.00 N ATOM 895 CA ALA A 56 82.709 4.553 -14.833 1.00 0.00 C ATOM 896 C ALA A 56 82.053 3.722 -13.713 1.00 0.00 C ATOM 897 O ALA A 56 81.125 4.189 -13.081 1.00 0.00 O ATOM 898 CB ALA A 56 83.458 5.750 -14.240 1.00 0.00 C ATOM 0 H ALA A 56 81.552 6.155 -15.653 1.00 0.00 H new ATOM 0 HA ALA A 56 83.378 3.888 -15.379 1.00 0.00 H new ATOM 0 HB1 ALA A 56 84.247 5.394 -13.578 1.00 0.00 H new ATOM 0 HB2 ALA A 56 83.898 6.339 -15.045 1.00 0.00 H new ATOM 0 HB3 ALA A 56 82.763 6.370 -13.674 1.00 0.00 H new ATOM 904 N PRO A 57 82.550 2.515 -13.493 1.00 0.00 N ATOM 905 CA PRO A 57 81.976 1.648 -12.430 1.00 0.00 C ATOM 906 C PRO A 57 82.304 2.218 -11.046 1.00 0.00 C ATOM 907 O PRO A 57 83.370 2.764 -10.830 1.00 0.00 O ATOM 908 CB PRO A 57 82.663 0.298 -12.640 1.00 0.00 C ATOM 909 CG PRO A 57 83.921 0.607 -13.386 1.00 0.00 C ATOM 910 CD PRO A 57 83.665 1.852 -14.193 1.00 0.00 C ATOM 0 HA PRO A 57 80.890 1.573 -12.483 1.00 0.00 H new ATOM 0 HB2 PRO A 57 82.879 -0.186 -11.687 1.00 0.00 H new ATOM 0 HB3 PRO A 57 82.027 -0.383 -13.206 1.00 0.00 H new ATOM 0 HG2 PRO A 57 84.750 0.760 -12.695 1.00 0.00 H new ATOM 0 HG3 PRO A 57 84.197 -0.223 -14.036 1.00 0.00 H new ATOM 0 HD2 PRO A 57 84.548 2.491 -14.230 1.00 0.00 H new ATOM 0 HD3 PRO A 57 83.402 1.612 -15.223 1.00 0.00 H new ATOM 918 N GLN A 58 81.393 2.092 -10.111 1.00 0.00 N ATOM 919 CA GLN A 58 81.650 2.603 -8.730 1.00 0.00 C ATOM 920 C GLN A 58 82.086 1.454 -7.816 1.00 0.00 C ATOM 921 O GLN A 58 81.299 0.588 -7.479 1.00 0.00 O ATOM 922 CB GLN A 58 80.312 3.181 -8.264 1.00 0.00 C ATOM 923 CG GLN A 58 79.974 4.422 -9.094 1.00 0.00 C ATOM 924 CD GLN A 58 78.616 4.978 -8.657 1.00 0.00 C ATOM 925 OE1 GLN A 58 77.719 4.231 -8.320 1.00 0.00 O ATOM 926 NE2 GLN A 58 78.426 6.269 -8.649 1.00 0.00 N ATOM 0 H GLN A 58 80.481 1.656 -10.246 1.00 0.00 H new ATOM 0 HA GLN A 58 82.445 3.348 -8.706 1.00 0.00 H new ATOM 0 HB2 GLN A 58 79.525 2.434 -8.370 1.00 0.00 H new ATOM 0 HB3 GLN A 58 80.365 3.441 -7.207 1.00 0.00 H new ATOM 0 HG2 GLN A 58 80.747 5.180 -8.965 1.00 0.00 H new ATOM 0 HG3 GLN A 58 79.950 4.168 -10.154 1.00 0.00 H new ATOM 0 HE21 GLN A 58 79.178 6.897 -8.932 1.00 0.00 H new ATOM 0 HE22 GLN A 58 77.525 6.650 -8.360 1.00 0.00 H new ATOM 935 N SER A 59 83.333 1.446 -7.415 1.00 0.00 N ATOM 936 CA SER A 59 83.836 0.360 -6.519 1.00 0.00 C ATOM 937 C SER A 59 83.863 0.839 -5.064 1.00 0.00 C ATOM 938 O SER A 59 83.648 0.070 -4.146 1.00 0.00 O ATOM 939 CB SER A 59 85.252 0.064 -7.011 1.00 0.00 C ATOM 940 OG SER A 59 85.696 -1.166 -6.453 1.00 0.00 O ATOM 0 H SER A 59 84.027 2.148 -7.671 1.00 0.00 H new ATOM 0 HA SER A 59 83.200 -0.525 -6.549 1.00 0.00 H new ATOM 0 HB2 SER A 59 85.267 0.009 -8.100 1.00 0.00 H new ATOM 0 HB3 SER A 59 85.926 0.871 -6.723 1.00 0.00 H new ATOM 0 HG SER A 59 86.604 -1.359 -6.768 1.00 0.00 H new ATOM 946 N GLN A 60 84.127 2.109 -4.851 1.00 0.00 N ATOM 947 CA GLN A 60 84.192 2.651 -3.453 1.00 0.00 C ATOM 948 C GLN A 60 82.835 2.511 -2.755 1.00 0.00 C ATOM 949 O GLN A 60 81.796 2.569 -3.387 1.00 0.00 O ATOM 950 CB GLN A 60 84.559 4.130 -3.605 1.00 0.00 C ATOM 951 CG GLN A 60 85.974 4.253 -4.176 1.00 0.00 C ATOM 952 CD GLN A 60 86.327 5.730 -4.362 1.00 0.00 C ATOM 953 OE1 GLN A 60 85.483 6.530 -4.719 1.00 0.00 O ATOM 954 NE2 GLN A 60 87.548 6.130 -4.133 1.00 0.00 N ATOM 0 H GLN A 60 84.300 2.794 -5.586 1.00 0.00 H new ATOM 0 HA GLN A 60 84.918 2.110 -2.847 1.00 0.00 H new ATOM 0 HB2 GLN A 60 83.846 4.626 -4.264 1.00 0.00 H new ATOM 0 HB3 GLN A 60 84.501 4.630 -2.638 1.00 0.00 H new ATOM 0 HG2 GLN A 60 86.690 3.780 -3.504 1.00 0.00 H new ATOM 0 HG3 GLN A 60 86.038 3.731 -5.130 1.00 0.00 H new ATOM 0 HE21 GLN A 60 88.256 5.460 -3.834 1.00 0.00 H new ATOM 0 HE22 GLN A 60 87.794 7.113 -4.253 1.00 0.00 H new ATOM 963 N ILE A 61 82.842 2.327 -1.457 1.00 0.00 N ATOM 964 CA ILE A 61 81.559 2.196 -0.698 1.00 0.00 C ATOM 965 C ILE A 61 81.179 3.551 -0.089 1.00 0.00 C ATOM 966 O ILE A 61 82.032 4.306 0.337 1.00 0.00 O ATOM 967 CB ILE A 61 81.843 1.164 0.408 1.00 0.00 C ATOM 968 CG1 ILE A 61 82.341 -0.164 -0.204 1.00 0.00 C ATOM 969 CG2 ILE A 61 80.568 0.904 1.221 1.00 0.00 C ATOM 970 CD1 ILE A 61 81.303 -0.738 -1.179 1.00 0.00 C ATOM 0 H ILE A 61 83.686 2.262 -0.888 1.00 0.00 H new ATOM 0 HA ILE A 61 80.730 1.882 -1.333 1.00 0.00 H new ATOM 0 HB ILE A 61 82.618 1.565 1.062 1.00 0.00 H new ATOM 0 HG12 ILE A 61 83.284 0.002 -0.725 1.00 0.00 H new ATOM 0 HG13 ILE A 61 82.538 -0.884 0.590 1.00 0.00 H new ATOM 0 HG21 ILE A 61 80.777 0.173 2.002 1.00 0.00 H new ATOM 0 HG22 ILE A 61 80.231 1.835 1.677 1.00 0.00 H new ATOM 0 HG23 ILE A 61 79.789 0.519 0.563 1.00 0.00 H new ATOM 0 HD11 ILE A 61 81.675 -1.673 -1.598 1.00 0.00 H new ATOM 0 HD12 ILE A 61 80.369 -0.924 -0.648 1.00 0.00 H new ATOM 0 HD13 ILE A 61 81.127 -0.025 -1.984 1.00 0.00 H new ATOM 982 N TYR A 62 79.904 3.857 -0.047 1.00 0.00 N ATOM 983 CA TYR A 62 79.460 5.172 0.509 1.00 0.00 C ATOM 984 C TYR A 62 79.092 5.027 1.987 1.00 0.00 C ATOM 985 O TYR A 62 78.149 4.338 2.331 1.00 0.00 O ATOM 986 CB TYR A 62 78.226 5.552 -0.310 1.00 0.00 C ATOM 987 CG TYR A 62 78.551 6.068 -1.693 1.00 0.00 C ATOM 988 CD1 TYR A 62 79.178 5.220 -2.638 1.00 0.00 C ATOM 989 CD2 TYR A 62 78.223 7.399 -2.044 1.00 0.00 C ATOM 990 CE1 TYR A 62 79.477 5.705 -3.934 1.00 0.00 C ATOM 991 CE2 TYR A 62 78.523 7.885 -3.339 1.00 0.00 C ATOM 992 CZ TYR A 62 79.151 7.037 -4.285 1.00 0.00 C ATOM 993 OH TYR A 62 79.443 7.510 -5.548 1.00 0.00 O ATOM 0 H TYR A 62 79.152 3.251 -0.375 1.00 0.00 H new ATOM 0 HA TYR A 62 80.242 5.928 0.448 1.00 0.00 H new ATOM 0 HB2 TYR A 62 77.578 4.680 -0.400 1.00 0.00 H new ATOM 0 HB3 TYR A 62 77.663 6.314 0.229 1.00 0.00 H new ATOM 0 HD1 TYR A 62 79.428 4.204 -2.370 1.00 0.00 H new ATOM 0 HD2 TYR A 62 77.743 8.045 -1.323 1.00 0.00 H new ATOM 0 HE1 TYR A 62 79.954 5.058 -4.655 1.00 0.00 H new ATOM 0 HE2 TYR A 62 78.274 8.901 -3.606 1.00 0.00 H new ATOM 0 HH TYR A 62 79.152 8.443 -5.623 1.00 0.00 H new ATOM 1003 N ASP A 63 79.836 5.669 2.860 1.00 0.00 N ATOM 1004 CA ASP A 63 79.509 5.637 4.330 1.00 0.00 C ATOM 1005 C ASP A 63 78.041 6.008 4.590 1.00 0.00 C ATOM 1006 O ASP A 63 77.378 5.402 5.412 1.00 0.00 O ATOM 1007 CB ASP A 63 80.427 6.690 4.959 1.00 0.00 C ATOM 1008 CG ASP A 63 81.873 6.193 4.930 1.00 0.00 C ATOM 1009 OD1 ASP A 63 82.278 5.661 3.910 1.00 0.00 O ATOM 1010 OD2 ASP A 63 82.553 6.355 5.931 1.00 0.00 O ATOM 0 H ASP A 63 80.661 6.218 2.618 1.00 0.00 H new ATOM 0 HA ASP A 63 79.655 4.640 4.746 1.00 0.00 H new ATOM 0 HB2 ASP A 63 80.344 7.631 4.415 1.00 0.00 H new ATOM 0 HB3 ASP A 63 80.120 6.888 5.986 1.00 0.00 H new ATOM 1015 N TYR A 64 77.536 6.999 3.894 1.00 0.00 N ATOM 1016 CA TYR A 64 76.148 7.488 4.163 1.00 0.00 C ATOM 1017 C TYR A 64 75.548 8.102 2.897 1.00 0.00 C ATOM 1018 O TYR A 64 76.165 8.925 2.245 1.00 0.00 O ATOM 1019 CB TYR A 64 76.314 8.557 5.247 1.00 0.00 C ATOM 1020 CG TYR A 64 75.015 9.005 5.886 1.00 0.00 C ATOM 1021 CD1 TYR A 64 74.025 9.666 5.114 1.00 0.00 C ATOM 1022 CD2 TYR A 64 74.793 8.772 7.265 1.00 0.00 C ATOM 1023 CE1 TYR A 64 72.819 10.091 5.722 1.00 0.00 C ATOM 1024 CE2 TYR A 64 73.586 9.197 7.871 1.00 0.00 C ATOM 1025 CZ TYR A 64 72.600 9.857 7.100 1.00 0.00 C ATOM 1026 OH TYR A 64 71.424 10.271 7.692 1.00 0.00 O ATOM 0 H TYR A 64 78.028 7.491 3.149 1.00 0.00 H new ATOM 0 HA TYR A 64 75.479 6.686 4.474 1.00 0.00 H new ATOM 0 HB2 TYR A 64 76.973 8.170 6.024 1.00 0.00 H new ATOM 0 HB3 TYR A 64 76.809 9.425 4.812 1.00 0.00 H new ATOM 0 HD1 TYR A 64 74.191 9.845 4.062 1.00 0.00 H new ATOM 0 HD2 TYR A 64 75.545 8.270 7.855 1.00 0.00 H new ATOM 0 HE1 TYR A 64 72.066 10.594 5.134 1.00 0.00 H new ATOM 0 HE2 TYR A 64 73.418 9.017 8.923 1.00 0.00 H new ATOM 0 HH TYR A 64 71.434 10.032 8.642 1.00 0.00 H new ATOM 1036 N ILE A 65 74.350 7.706 2.545 1.00 0.00 N ATOM 1037 CA ILE A 65 73.619 8.395 1.431 1.00 0.00 C ATOM 1038 C ILE A 65 72.206 8.776 1.894 1.00 0.00 C ATOM 1039 O ILE A 65 71.460 7.948 2.387 1.00 0.00 O ATOM 1040 CB ILE A 65 73.569 7.386 0.269 1.00 0.00 C ATOM 1041 CG1 ILE A 65 75.003 7.042 -0.172 1.00 0.00 C ATOM 1042 CG2 ILE A 65 72.805 7.999 -0.916 1.00 0.00 C ATOM 1043 CD1 ILE A 65 74.975 5.985 -1.284 1.00 0.00 C ATOM 0 H ILE A 65 73.844 6.935 2.980 1.00 0.00 H new ATOM 0 HA ILE A 65 74.114 9.316 1.123 1.00 0.00 H new ATOM 0 HB ILE A 65 73.060 6.481 0.599 1.00 0.00 H new ATOM 0 HG12 ILE A 65 75.508 7.941 -0.527 1.00 0.00 H new ATOM 0 HG13 ILE A 65 75.574 6.670 0.679 1.00 0.00 H new ATOM 0 HG21 ILE A 65 72.771 7.283 -1.737 1.00 0.00 H new ATOM 0 HG22 ILE A 65 71.789 8.244 -0.606 1.00 0.00 H new ATOM 0 HG23 ILE A 65 73.312 8.905 -1.246 1.00 0.00 H new ATOM 0 HD11 ILE A 65 75.995 5.750 -1.588 1.00 0.00 H new ATOM 0 HD12 ILE A 65 74.489 5.082 -0.915 1.00 0.00 H new ATOM 0 HD13 ILE A 65 74.422 6.372 -2.140 1.00 0.00 H new ATOM 1055 N LEU A 66 71.844 10.027 1.737 1.00 0.00 N ATOM 1056 CA LEU A 66 70.456 10.469 2.082 1.00 0.00 C ATOM 1057 C LEU A 66 69.550 10.344 0.854 1.00 0.00 C ATOM 1058 O LEU A 66 69.935 10.696 -0.246 1.00 0.00 O ATOM 1059 CB LEU A 66 70.596 11.936 2.503 1.00 0.00 C ATOM 1060 CG LEU A 66 69.261 12.443 3.054 1.00 0.00 C ATOM 1061 CD1 LEU A 66 68.995 11.808 4.421 1.00 0.00 C ATOM 1062 CD2 LEU A 66 69.319 13.966 3.203 1.00 0.00 C ATOM 0 H LEU A 66 72.454 10.764 1.383 1.00 0.00 H new ATOM 0 HA LEU A 66 70.011 9.864 2.872 1.00 0.00 H new ATOM 0 HB2 LEU A 66 71.374 12.035 3.260 1.00 0.00 H new ATOM 0 HB3 LEU A 66 70.902 12.542 1.650 1.00 0.00 H new ATOM 0 HG LEU A 66 68.459 12.172 2.367 1.00 0.00 H new ATOM 0 HD11 LEU A 66 68.044 12.170 4.812 1.00 0.00 H new ATOM 0 HD12 LEU A 66 68.955 10.724 4.317 1.00 0.00 H new ATOM 0 HD13 LEU A 66 69.796 12.077 5.109 1.00 0.00 H new ATOM 0 HD21 LEU A 66 68.369 14.330 3.595 1.00 0.00 H new ATOM 0 HD22 LEU A 66 70.122 14.234 3.890 1.00 0.00 H new ATOM 0 HD23 LEU A 66 69.507 14.420 2.230 1.00 0.00 H new ATOM 1074 N PHE A 67 68.352 9.846 1.037 1.00 0.00 N ATOM 1075 CA PHE A 67 67.451 9.596 -0.129 1.00 0.00 C ATOM 1076 C PHE A 67 66.017 10.029 0.193 1.00 0.00 C ATOM 1077 O PHE A 67 65.480 9.696 1.232 1.00 0.00 O ATOM 1078 CB PHE A 67 67.514 8.084 -0.352 1.00 0.00 C ATOM 1079 CG PHE A 67 68.635 7.646 -1.265 1.00 0.00 C ATOM 1080 CD1 PHE A 67 68.850 8.310 -2.498 1.00 0.00 C ATOM 1081 CD2 PHE A 67 69.462 6.556 -0.896 1.00 0.00 C ATOM 1082 CE1 PHE A 67 69.887 7.884 -3.359 1.00 0.00 C ATOM 1083 CE2 PHE A 67 70.503 6.133 -1.757 1.00 0.00 C ATOM 1084 CZ PHE A 67 70.715 6.796 -2.989 1.00 0.00 C ATOM 0 H PHE A 67 67.959 9.602 1.946 1.00 0.00 H new ATOM 0 HA PHE A 67 67.756 10.159 -1.011 1.00 0.00 H new ATOM 0 HB2 PHE A 67 67.629 7.589 0.612 1.00 0.00 H new ATOM 0 HB3 PHE A 67 66.565 7.749 -0.771 1.00 0.00 H new ATOM 0 HD1 PHE A 67 68.221 9.142 -2.780 1.00 0.00 H new ATOM 0 HD2 PHE A 67 69.298 6.048 0.043 1.00 0.00 H new ATOM 0 HE1 PHE A 67 70.048 8.389 -4.300 1.00 0.00 H new ATOM 0 HE2 PHE A 67 71.135 5.304 -1.474 1.00 0.00 H new ATOM 0 HZ PHE A 67 71.508 6.473 -3.647 1.00 0.00 H new ATOM 1094 N ARG A 68 65.401 10.771 -0.695 1.00 0.00 N ATOM 1095 CA ARG A 68 63.957 11.125 -0.517 1.00 0.00 C ATOM 1096 C ARG A 68 63.065 10.089 -1.213 1.00 0.00 C ATOM 1097 O ARG A 68 63.458 9.467 -2.186 1.00 0.00 O ATOM 1098 CB ARG A 68 63.798 12.497 -1.178 1.00 0.00 C ATOM 1099 CG ARG A 68 64.580 13.543 -0.382 1.00 0.00 C ATOM 1100 CD ARG A 68 64.341 14.930 -0.987 1.00 0.00 C ATOM 1101 NE ARG A 68 65.307 15.840 -0.289 1.00 0.00 N ATOM 1102 CZ ARG A 68 65.614 17.025 -0.782 1.00 0.00 C ATOM 1103 NH1 ARG A 68 65.084 17.466 -1.900 1.00 0.00 N ATOM 1104 NH2 ARG A 68 66.464 17.780 -0.141 1.00 0.00 N ATOM 0 H ARG A 68 65.836 11.148 -1.537 1.00 0.00 H new ATOM 0 HA ARG A 68 63.665 11.141 0.533 1.00 0.00 H new ATOM 0 HB2 ARG A 68 64.160 12.461 -2.205 1.00 0.00 H new ATOM 0 HB3 ARG A 68 62.744 12.771 -1.221 1.00 0.00 H new ATOM 0 HG2 ARG A 68 64.266 13.531 0.662 1.00 0.00 H new ATOM 0 HG3 ARG A 68 65.644 13.306 -0.397 1.00 0.00 H new ATOM 0 HD2 ARG A 68 64.514 14.924 -2.063 1.00 0.00 H new ATOM 0 HD3 ARG A 68 63.312 15.255 -0.831 1.00 0.00 H new ATOM 0 HE ARG A 68 65.736 15.537 0.585 1.00 0.00 H new ATOM 0 HH11 ARG A 68 64.416 16.888 -2.411 1.00 0.00 H new ATOM 0 HH12 ARG A 68 65.340 18.386 -2.257 1.00 0.00 H new ATOM 0 HH21 ARG A 68 66.882 17.452 0.730 1.00 0.00 H new ATOM 0 HH22 ARG A 68 66.710 18.698 -0.511 1.00 0.00 H new ATOM 1118 N GLY A 69 61.863 9.901 -0.723 1.00 0.00 N ATOM 1119 CA GLY A 69 60.914 8.946 -1.377 1.00 0.00 C ATOM 1120 C GLY A 69 60.633 9.372 -2.829 1.00 0.00 C ATOM 1121 O GLY A 69 60.279 8.556 -3.660 1.00 0.00 O ATOM 0 H GLY A 69 61.497 10.370 0.105 1.00 0.00 H new ATOM 0 HA2 GLY A 69 61.334 7.940 -1.362 1.00 0.00 H new ATOM 0 HA3 GLY A 69 59.980 8.910 -0.815 1.00 0.00 H new ATOM 1125 N SER A 70 60.788 10.640 -3.136 1.00 0.00 N ATOM 1126 CA SER A 70 60.454 11.133 -4.512 1.00 0.00 C ATOM 1127 C SER A 70 61.415 10.548 -5.556 1.00 0.00 C ATOM 1128 O SER A 70 60.999 10.152 -6.629 1.00 0.00 O ATOM 1129 CB SER A 70 60.605 12.654 -4.447 1.00 0.00 C ATOM 1130 OG SER A 70 60.161 13.224 -5.671 1.00 0.00 O ATOM 0 H SER A 70 61.131 11.354 -2.493 1.00 0.00 H new ATOM 0 HA SER A 70 59.449 10.832 -4.809 1.00 0.00 H new ATOM 0 HB2 SER A 70 60.025 13.053 -3.615 1.00 0.00 H new ATOM 0 HB3 SER A 70 61.646 12.920 -4.266 1.00 0.00 H new ATOM 0 HG SER A 70 60.255 14.199 -5.631 1.00 0.00 H new ATOM 1136 N ASP A 71 62.690 10.491 -5.251 1.00 0.00 N ATOM 1137 CA ASP A 71 63.686 10.024 -6.274 1.00 0.00 C ATOM 1138 C ASP A 71 63.751 8.492 -6.316 1.00 0.00 C ATOM 1139 O ASP A 71 63.975 7.908 -7.360 1.00 0.00 O ATOM 1140 CB ASP A 71 65.040 10.628 -5.863 1.00 0.00 C ATOM 1141 CG ASP A 71 65.444 10.162 -4.459 1.00 0.00 C ATOM 1142 OD1 ASP A 71 65.088 10.837 -3.510 1.00 0.00 O ATOM 1143 OD2 ASP A 71 66.105 9.142 -4.362 1.00 0.00 O ATOM 0 H ASP A 71 63.084 10.745 -4.345 1.00 0.00 H new ATOM 0 HA ASP A 71 63.404 10.345 -7.276 1.00 0.00 H new ATOM 0 HB2 ASP A 71 65.806 10.336 -6.582 1.00 0.00 H new ATOM 0 HB3 ASP A 71 64.979 11.716 -5.886 1.00 0.00 H new ATOM 1148 N ILE A 72 63.560 7.837 -5.195 1.00 0.00 N ATOM 1149 CA ILE A 72 63.544 6.339 -5.191 1.00 0.00 C ATOM 1150 C ILE A 72 62.104 5.831 -5.043 1.00 0.00 C ATOM 1151 O ILE A 72 61.342 6.316 -4.227 1.00 0.00 O ATOM 1152 CB ILE A 72 64.454 5.946 -4.015 1.00 0.00 C ATOM 1153 CG1 ILE A 72 65.908 6.094 -4.474 1.00 0.00 C ATOM 1154 CG2 ILE A 72 64.213 4.492 -3.582 1.00 0.00 C ATOM 1155 CD1 ILE A 72 66.827 6.211 -3.264 1.00 0.00 C ATOM 0 H ILE A 72 63.415 8.274 -4.285 1.00 0.00 H new ATOM 0 HA ILE A 72 63.907 5.893 -6.117 1.00 0.00 H new ATOM 0 HB ILE A 72 64.236 6.592 -3.165 1.00 0.00 H new ATOM 0 HG12 ILE A 72 66.197 5.234 -5.078 1.00 0.00 H new ATOM 0 HG13 ILE A 72 66.011 6.976 -5.106 1.00 0.00 H new ATOM 0 HG21 ILE A 72 64.872 4.246 -2.749 1.00 0.00 H new ATOM 0 HG22 ILE A 72 63.175 4.372 -3.271 1.00 0.00 H new ATOM 0 HG23 ILE A 72 64.421 3.824 -4.418 1.00 0.00 H new ATOM 0 HD11 ILE A 72 67.859 6.316 -3.600 1.00 0.00 H new ATOM 0 HD12 ILE A 72 66.546 7.085 -2.677 1.00 0.00 H new ATOM 0 HD13 ILE A 72 66.735 5.316 -2.649 1.00 0.00 H new ATOM 1167 N LYS A 73 61.740 4.851 -5.836 1.00 0.00 N ATOM 1168 CA LYS A 73 60.299 4.500 -5.996 1.00 0.00 C ATOM 1169 C LYS A 73 59.959 3.148 -5.354 1.00 0.00 C ATOM 1170 O LYS A 73 58.794 2.826 -5.196 1.00 0.00 O ATOM 1171 CB LYS A 73 60.083 4.436 -7.509 1.00 0.00 C ATOM 1172 CG LYS A 73 58.585 4.351 -7.812 1.00 0.00 C ATOM 1173 CD LYS A 73 58.376 4.219 -9.322 1.00 0.00 C ATOM 1174 CE LYS A 73 56.881 4.288 -9.638 1.00 0.00 C ATOM 1175 NZ LYS A 73 56.788 4.051 -11.106 1.00 0.00 N ATOM 0 H LYS A 73 62.385 4.278 -6.381 1.00 0.00 H new ATOM 0 HA LYS A 73 59.658 5.231 -5.503 1.00 0.00 H new ATOM 0 HB2 LYS A 73 60.511 5.318 -7.985 1.00 0.00 H new ATOM 0 HB3 LYS A 73 60.598 3.569 -7.923 1.00 0.00 H new ATOM 0 HG2 LYS A 73 58.147 3.496 -7.297 1.00 0.00 H new ATOM 0 HG3 LYS A 73 58.077 5.241 -7.440 1.00 0.00 H new ATOM 0 HD2 LYS A 73 58.906 5.016 -9.844 1.00 0.00 H new ATOM 0 HD3 LYS A 73 58.790 3.275 -9.676 1.00 0.00 H new ATOM 0 HE2 LYS A 73 56.324 3.535 -9.080 1.00 0.00 H new ATOM 0 HE3 LYS A 73 56.464 5.258 -9.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 55.791 4.083 -11.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 57.322 4.787 -11.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 57.186 3.117 -11.333 1.00 0.00 H new ATOM 1189 N ASP A 74 60.937 2.348 -4.980 1.00 0.00 N ATOM 1190 CA ASP A 74 60.598 1.016 -4.380 1.00 0.00 C ATOM 1191 C ASP A 74 61.635 0.597 -3.334 1.00 0.00 C ATOM 1192 O ASP A 74 62.825 0.636 -3.571 1.00 0.00 O ATOM 1193 CB ASP A 74 60.584 0.038 -5.555 1.00 0.00 C ATOM 1194 CG ASP A 74 59.996 -1.301 -5.103 1.00 0.00 C ATOM 1195 OD1 ASP A 74 58.992 -1.282 -4.410 1.00 0.00 O ATOM 1196 OD2 ASP A 74 60.560 -2.324 -5.457 1.00 0.00 O ATOM 0 H ASP A 74 61.932 2.555 -5.062 1.00 0.00 H new ATOM 0 HA ASP A 74 59.640 1.043 -3.860 1.00 0.00 H new ATOM 0 HB2 ASP A 74 59.994 0.447 -6.375 1.00 0.00 H new ATOM 0 HB3 ASP A 74 61.596 -0.107 -5.932 1.00 0.00 H new ATOM 1201 N ILE A 75 61.171 0.195 -2.173 1.00 0.00 N ATOM 1202 CA ILE A 75 62.093 -0.302 -1.105 1.00 0.00 C ATOM 1203 C ILE A 75 61.560 -1.624 -0.528 1.00 0.00 C ATOM 1204 O ILE A 75 60.368 -1.795 -0.354 1.00 0.00 O ATOM 1205 CB ILE A 75 62.109 0.811 -0.039 1.00 0.00 C ATOM 1206 CG1 ILE A 75 63.073 0.430 1.090 1.00 0.00 C ATOM 1207 CG2 ILE A 75 60.705 1.021 0.542 1.00 0.00 C ATOM 1208 CD1 ILE A 75 63.457 1.681 1.882 1.00 0.00 C ATOM 0 H ILE A 75 60.183 0.191 -1.919 1.00 0.00 H new ATOM 0 HA ILE A 75 63.097 -0.507 -1.477 1.00 0.00 H new ATOM 0 HB ILE A 75 62.439 1.737 -0.510 1.00 0.00 H new ATOM 0 HG12 ILE A 75 62.605 -0.301 1.750 1.00 0.00 H new ATOM 0 HG13 ILE A 75 63.966 -0.039 0.677 1.00 0.00 H new ATOM 0 HG21 ILE A 75 60.736 1.811 1.293 1.00 0.00 H new ATOM 0 HG22 ILE A 75 60.020 1.306 -0.256 1.00 0.00 H new ATOM 0 HG23 ILE A 75 60.360 0.096 1.003 1.00 0.00 H new ATOM 0 HD11 ILE A 75 64.142 1.408 2.684 1.00 0.00 H new ATOM 0 HD12 ILE A 75 63.942 2.397 1.219 1.00 0.00 H new ATOM 0 HD13 ILE A 75 62.561 2.131 2.308 1.00 0.00 H new ATOM 1220 N ARG A 76 62.436 -2.555 -0.234 1.00 0.00 N ATOM 1221 CA ARG A 76 61.991 -3.859 0.352 1.00 0.00 C ATOM 1222 C ARG A 76 63.041 -4.386 1.335 1.00 0.00 C ATOM 1223 O ARG A 76 64.224 -4.383 1.052 1.00 0.00 O ATOM 1224 CB ARG A 76 61.847 -4.808 -0.839 1.00 0.00 C ATOM 1225 CG ARG A 76 60.681 -4.356 -1.722 1.00 0.00 C ATOM 1226 CD ARG A 76 60.402 -5.422 -2.789 1.00 0.00 C ATOM 1227 NE ARG A 76 61.622 -5.447 -3.660 1.00 0.00 N ATOM 1228 CZ ARG A 76 61.870 -6.459 -4.469 1.00 0.00 C ATOM 1229 NH1 ARG A 76 61.058 -7.488 -4.554 1.00 0.00 N ATOM 1230 NH2 ARG A 76 62.947 -6.437 -5.205 1.00 0.00 N ATOM 0 H ARG A 76 63.442 -2.468 -0.375 1.00 0.00 H new ATOM 0 HA ARG A 76 61.058 -3.761 0.907 1.00 0.00 H new ATOM 0 HB2 ARG A 76 62.770 -4.822 -1.418 1.00 0.00 H new ATOM 0 HB3 ARG A 76 61.676 -5.825 -0.487 1.00 0.00 H new ATOM 0 HG2 ARG A 76 59.791 -4.195 -1.113 1.00 0.00 H new ATOM 0 HG3 ARG A 76 60.919 -3.404 -2.197 1.00 0.00 H new ATOM 0 HD2 ARG A 76 60.225 -6.396 -2.333 1.00 0.00 H new ATOM 0 HD3 ARG A 76 59.512 -5.174 -3.368 1.00 0.00 H new ATOM 0 HE ARG A 76 62.275 -4.664 -3.626 1.00 0.00 H new ATOM 0 HH11 ARG A 76 60.211 -7.518 -3.986 1.00 0.00 H new ATOM 0 HH12 ARG A 76 61.274 -8.257 -5.188 1.00 0.00 H new ATOM 0 HH21 ARG A 76 63.586 -5.644 -5.151 1.00 0.00 H new ATOM 0 HH22 ARG A 76 63.150 -7.213 -5.835 1.00 0.00 H new ATOM 1244 N VAL A 77 62.611 -4.839 2.489 1.00 0.00 N ATOM 1245 CA VAL A 77 63.573 -5.392 3.499 1.00 0.00 C ATOM 1246 C VAL A 77 63.804 -6.884 3.227 1.00 0.00 C ATOM 1247 O VAL A 77 62.901 -7.592 2.822 1.00 0.00 O ATOM 1248 CB VAL A 77 62.896 -5.187 4.866 1.00 0.00 C ATOM 1249 CG1 VAL A 77 63.826 -5.673 5.982 1.00 0.00 C ATOM 1250 CG2 VAL A 77 62.595 -3.699 5.083 1.00 0.00 C ATOM 0 H VAL A 77 61.632 -4.850 2.777 1.00 0.00 H new ATOM 0 HA VAL A 77 64.545 -4.900 3.460 1.00 0.00 H new ATOM 0 HB VAL A 77 61.966 -5.755 4.886 1.00 0.00 H new ATOM 0 HG11 VAL A 77 63.343 -5.526 6.948 1.00 0.00 H new ATOM 0 HG12 VAL A 77 64.041 -6.732 5.841 1.00 0.00 H new ATOM 0 HG13 VAL A 77 64.757 -5.107 5.952 1.00 0.00 H new ATOM 0 HG21 VAL A 77 62.116 -3.562 6.053 1.00 0.00 H new ATOM 0 HG22 VAL A 77 63.525 -3.132 5.055 1.00 0.00 H new ATOM 0 HG23 VAL A 77 61.929 -3.344 4.296 1.00 0.00 H new ATOM 1260 N VAL A 78 65.007 -7.362 3.448 1.00 0.00 N ATOM 1261 CA VAL A 78 65.300 -8.808 3.194 1.00 0.00 C ATOM 1262 C VAL A 78 65.116 -9.610 4.490 1.00 0.00 C ATOM 1263 O VAL A 78 65.681 -9.280 5.516 1.00 0.00 O ATOM 1264 CB VAL A 78 66.764 -8.855 2.727 1.00 0.00 C ATOM 1265 CG1 VAL A 78 67.158 -10.297 2.393 1.00 0.00 C ATOM 1266 CG2 VAL A 78 66.939 -7.990 1.474 1.00 0.00 C ATOM 0 H VAL A 78 65.796 -6.814 3.792 1.00 0.00 H new ATOM 0 HA VAL A 78 64.632 -9.241 2.449 1.00 0.00 H new ATOM 0 HB VAL A 78 67.399 -8.476 3.528 1.00 0.00 H new ATOM 0 HG11 VAL A 78 68.196 -10.323 2.063 1.00 0.00 H new ATOM 0 HG12 VAL A 78 67.043 -10.920 3.280 1.00 0.00 H new ATOM 0 HG13 VAL A 78 66.515 -10.675 1.598 1.00 0.00 H new ATOM 0 HG21 VAL A 78 67.978 -8.028 1.148 1.00 0.00 H new ATOM 0 HG22 VAL A 78 66.296 -8.367 0.679 1.00 0.00 H new ATOM 0 HG23 VAL A 78 66.667 -6.959 1.703 1.00 0.00 H new ATOM 1276 N ASN A 79 64.327 -10.656 4.440 1.00 0.00 N ATOM 1277 CA ASN A 79 64.090 -11.486 5.661 1.00 0.00 C ATOM 1278 C ASN A 79 63.825 -12.942 5.267 1.00 0.00 C ATOM 1279 O ASN A 79 63.891 -13.299 4.104 1.00 0.00 O ATOM 1280 CB ASN A 79 62.853 -10.877 6.321 1.00 0.00 C ATOM 1281 CG ASN A 79 63.200 -9.499 6.886 1.00 0.00 C ATOM 1282 OD1 ASN A 79 62.558 -8.518 6.566 1.00 0.00 O ATOM 1283 ND2 ASN A 79 64.197 -9.382 7.721 1.00 0.00 N ATOM 0 H ASN A 79 63.836 -10.971 3.603 1.00 0.00 H new ATOM 0 HA ASN A 79 64.950 -11.489 6.331 1.00 0.00 H new ATOM 0 HB2 ASN A 79 62.046 -10.790 5.594 1.00 0.00 H new ATOM 0 HB3 ASN A 79 62.495 -11.529 7.118 1.00 0.00 H new ATOM 0 HD21 ASN A 79 64.437 -8.468 8.104 1.00 0.00 H new ATOM 0 HD22 ASN A 79 64.736 -10.205 7.990 1.00 0.00 H new ATOM 1290 N ASN A 80 63.527 -13.781 6.229 1.00 0.00 N ATOM 1291 CA ASN A 80 63.233 -15.215 5.921 1.00 0.00 C ATOM 1292 C ASN A 80 61.749 -15.388 5.586 1.00 0.00 C ATOM 1293 O ASN A 80 60.964 -14.468 5.728 1.00 0.00 O ATOM 1294 CB ASN A 80 63.589 -15.986 7.195 1.00 0.00 C ATOM 1295 CG ASN A 80 65.098 -15.905 7.441 1.00 0.00 C ATOM 1296 OD1 ASN A 80 65.880 -15.934 6.512 1.00 0.00 O ATOM 1297 ND2 ASN A 80 65.542 -15.804 8.664 1.00 0.00 N ATOM 0 H ASN A 80 63.475 -13.533 7.217 1.00 0.00 H new ATOM 0 HA ASN A 80 63.800 -15.574 5.062 1.00 0.00 H new ATOM 0 HB2 ASN A 80 63.049 -15.571 8.046 1.00 0.00 H new ATOM 0 HB3 ASN A 80 63.281 -17.027 7.100 1.00 0.00 H new ATOM 0 HD21 ASN A 80 66.545 -15.749 8.839 1.00 0.00 H new ATOM 0 HD22 ASN A 80 64.886 -15.780 9.444 1.00 0.00 H new ATOM 1304 N HIS A 81 61.363 -16.560 5.144 1.00 0.00 N ATOM 1305 CA HIS A 81 59.933 -16.800 4.782 1.00 0.00 C ATOM 1306 C HIS A 81 59.204 -17.498 5.934 1.00 0.00 C ATOM 1307 O HIS A 81 59.689 -18.468 6.487 1.00 0.00 O ATOM 1308 CB HIS A 81 59.982 -17.707 3.552 1.00 0.00 C ATOM 1309 CG HIS A 81 60.641 -17.066 2.360 1.00 0.00 C ATOM 1310 ND1 HIS A 81 60.046 -16.034 1.653 1.00 0.00 N ATOM 1311 CD2 HIS A 81 61.843 -17.302 1.740 1.00 0.00 C ATOM 1312 CE1 HIS A 81 60.884 -15.689 0.657 1.00 0.00 C ATOM 1313 NE2 HIS A 81 61.994 -16.431 0.665 1.00 0.00 N ATOM 0 H HIS A 81 61.980 -17.363 5.018 1.00 0.00 H new ATOM 0 HA HIS A 81 59.397 -15.872 4.584 1.00 0.00 H new ATOM 0 HB2 HIS A 81 60.518 -18.621 3.806 1.00 0.00 H new ATOM 0 HB3 HIS A 81 58.966 -17.997 3.283 1.00 0.00 H new ATOM 0 HD2 HIS A 81 62.562 -18.050 2.041 1.00 0.00 H new ATOM 0 HE1 HIS A 81 60.683 -14.907 -0.061 1.00 0.00 H new ATOM 0 HE2 HIS A 81 62.783 -16.372 0.021 1.00 0.00 H new ATOM 1321 N THR A 82 58.043 -17.007 6.295 1.00 0.00 N ATOM 1322 CA THR A 82 57.270 -17.627 7.416 1.00 0.00 C ATOM 1323 C THR A 82 55.778 -17.693 7.061 1.00 0.00 C ATOM 1324 O THR A 82 55.324 -17.042 6.137 1.00 0.00 O ATOM 1325 CB THR A 82 57.511 -16.718 8.631 1.00 0.00 C ATOM 1326 OG1 THR A 82 56.820 -17.245 9.755 1.00 0.00 O ATOM 1327 CG2 THR A 82 57.015 -15.293 8.349 1.00 0.00 C ATOM 0 H THR A 82 57.596 -16.200 5.859 1.00 0.00 H new ATOM 0 HA THR A 82 57.587 -18.650 7.618 1.00 0.00 H new ATOM 0 HB THR A 82 58.581 -16.680 8.834 1.00 0.00 H new ATOM 0 HG1 THR A 82 56.973 -16.669 10.533 1.00 0.00 H new ATOM 0 HG21 THR A 82 57.195 -14.666 9.222 1.00 0.00 H new ATOM 0 HG22 THR A 82 57.550 -14.884 7.492 1.00 0.00 H new ATOM 0 HG23 THR A 82 55.947 -15.316 8.133 1.00 0.00 H new ATOM 1335 N LEU A 83 55.019 -18.474 7.791 1.00 0.00 N ATOM 1336 CA LEU A 83 53.555 -18.589 7.509 1.00 0.00 C ATOM 1337 C LEU A 83 52.760 -17.660 8.445 1.00 0.00 C ATOM 1338 O LEU A 83 52.685 -17.920 9.632 1.00 0.00 O ATOM 1339 CB LEU A 83 53.214 -20.052 7.796 1.00 0.00 C ATOM 1340 CG LEU A 83 51.933 -20.433 7.053 1.00 0.00 C ATOM 1341 CD1 LEU A 83 51.820 -21.957 6.976 1.00 0.00 C ATOM 1342 CD2 LEU A 83 50.723 -19.870 7.803 1.00 0.00 C ATOM 0 H LEU A 83 55.352 -19.038 8.573 1.00 0.00 H new ATOM 0 HA LEU A 83 53.306 -18.302 6.487 1.00 0.00 H new ATOM 0 HB2 LEU A 83 54.035 -20.696 7.481 1.00 0.00 H new ATOM 0 HB3 LEU A 83 53.084 -20.203 8.868 1.00 0.00 H new ATOM 0 HG LEU A 83 51.962 -20.020 6.045 1.00 0.00 H new ATOM 0 HD11 LEU A 83 50.907 -22.228 6.446 1.00 0.00 H new ATOM 0 HD12 LEU A 83 52.681 -22.359 6.443 1.00 0.00 H new ATOM 0 HD13 LEU A 83 51.791 -22.371 7.984 1.00 0.00 H new ATOM 0 HD21 LEU A 83 49.809 -20.141 7.274 1.00 0.00 H new ATOM 0 HD22 LEU A 83 50.695 -20.283 8.811 1.00 0.00 H new ATOM 0 HD23 LEU A 83 50.802 -18.784 7.858 1.00 0.00 H new ATOM 1354 N PRO A 84 52.188 -16.602 7.893 1.00 0.00 N ATOM 1355 CA PRO A 84 51.384 -15.663 8.723 1.00 0.00 C ATOM 1356 C PRO A 84 50.099 -16.343 9.206 1.00 0.00 C ATOM 1357 O PRO A 84 49.784 -16.210 10.376 1.00 0.00 O ATOM 1358 CB PRO A 84 51.067 -14.506 7.775 1.00 0.00 C ATOM 1359 CG PRO A 84 51.218 -15.070 6.399 1.00 0.00 C ATOM 1360 CD PRO A 84 52.227 -16.182 6.482 1.00 0.00 C ATOM 1361 OXT PRO A 84 49.452 -16.984 8.394 1.00 0.00 O ATOM 0 HA PRO A 84 51.910 -15.333 9.619 1.00 0.00 H new ATOM 0 HB2 PRO A 84 50.057 -14.130 7.937 1.00 0.00 H new ATOM 0 HB3 PRO A 84 51.748 -13.670 7.934 1.00 0.00 H new ATOM 0 HG2 PRO A 84 50.263 -15.444 6.030 1.00 0.00 H new ATOM 0 HG3 PRO A 84 51.550 -14.300 5.702 1.00 0.00 H new ATOM 0 HD2 PRO A 84 51.969 -17.004 5.815 1.00 0.00 H new ATOM 0 HD3 PRO A 84 53.221 -15.839 6.196 1.00 0.00 H new TER 1369 PRO A 84