USER MOD reduce.3.24.130724 H: found=0, std=0, add=713, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 711 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 25 MET CE :methyl -105:sc= -2.21 (180deg=-4.41!) USER MOD Set 1.2: A 45 MET CE :methyl -120:sc= -3 (180deg=-5.57!) USER MOD Set 2.1: A 19 TYR OH : rot 107:sc= 0.102 USER MOD Set 2.2: A 51 CYS SG : rot 19:sc= 0.0165 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 22:sc= 0.406 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 ASN : amide:sc= -2.31 K(o=-2.3,f=-1.4!) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= -0.116 X(o=-0.12,f=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -0.898 K(o=-0.9,f=-4.4!) USER MOD Single : A 55 THR OG1 : rot -169:sc= -0.838 USER MOD Single : A 56 TYR OH : rot -24:sc= -0.623 USER MOD Single : A 58 LYS NZ :NH3+ 156:sc= -1.36 (180deg=-2.07!) USER MOD Single : A 59 MET CE :methyl -143:sc= -0.177 (180deg=-1.13) USER MOD Single : A 61 SER OG : rot -98:sc= 0.162 USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 70 ASN : amide:sc= -0.209 K(o=-0.21,f=-0.94) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= 0 K(o=0,f=-0.96) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= -0.0443 X(o=-0.044,f=-0.52) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 ASN : amide:sc= -0.954 K(o=-0.95,f=-3.4!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 GLN : amide:sc= -0.17 K(o=-0.17,f=-7!) USER MOD Single : A 89 MET CE :methyl -170:sc=-0.00354 (180deg=-0.18) USER MOD Single : A 92 SER OG : rot 180:sc= -0.0478 USER MOD Single : A 95 SER OG : rot 39:sc= 0.706 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -22.486 20.773 15.570 1.00 0.00 N ATOM 2 CA GLY A 1 -21.340 21.572 15.178 1.00 0.00 C ATOM 3 C GLY A 1 -20.989 21.405 13.713 1.00 0.00 C ATOM 4 O GLY A 1 -20.340 20.432 13.330 1.00 0.00 O ATOM 0 H1 GLY A 1 -22.685 20.923 16.580 1.00 0.00 H new ATOM 0 H2 GLY A 1 -23.315 21.056 15.009 1.00 0.00 H new ATOM 0 H3 GLY A 1 -22.281 19.767 15.403 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -21.547 22.623 15.381 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -20.481 21.293 15.788 1.00 0.00 H new ATOM 8 N SER A 2 -21.421 22.356 12.891 1.00 0.00 N ATOM 9 CA SER A 2 -21.154 22.307 11.458 1.00 0.00 C ATOM 10 C SER A 2 -20.085 23.323 11.070 1.00 0.00 C ATOM 11 O SER A 2 -20.265 24.528 11.246 1.00 0.00 O ATOM 12 CB SER A 2 -22.438 22.574 10.669 1.00 0.00 C ATOM 13 OG SER A 2 -22.160 22.769 9.294 1.00 0.00 O ATOM 0 H SER A 2 -21.957 23.170 13.193 1.00 0.00 H new ATOM 0 HA SER A 2 -20.788 21.309 11.215 1.00 0.00 H new ATOM 0 HB2 SER A 2 -23.124 21.735 10.789 1.00 0.00 H new ATOM 0 HB3 SER A 2 -22.939 23.455 11.071 1.00 0.00 H new ATOM 0 HG SER A 2 -22.997 22.936 8.812 1.00 0.00 H new ATOM 19 N SER A 3 -18.971 22.828 10.540 1.00 0.00 N ATOM 20 CA SER A 3 -17.870 23.691 10.130 1.00 0.00 C ATOM 21 C SER A 3 -18.277 24.567 8.949 1.00 0.00 C ATOM 22 O SER A 3 -17.757 25.667 8.769 1.00 0.00 O ATOM 23 CB SER A 3 -16.646 22.851 9.759 1.00 0.00 C ATOM 24 OG SER A 3 -16.948 21.945 8.713 1.00 0.00 O ATOM 0 H SER A 3 -18.807 21.833 10.385 1.00 0.00 H new ATOM 0 HA SER A 3 -17.616 24.338 10.970 1.00 0.00 H new ATOM 0 HB2 SER A 3 -15.831 23.506 9.453 1.00 0.00 H new ATOM 0 HB3 SER A 3 -16.301 22.300 10.634 1.00 0.00 H new ATOM 0 HG SER A 3 -16.149 21.421 8.493 1.00 0.00 H new ATOM 30 N GLY A 4 -19.212 24.068 8.145 1.00 0.00 N ATOM 31 CA GLY A 4 -19.673 24.816 6.991 1.00 0.00 C ATOM 32 C GLY A 4 -18.537 25.241 6.082 1.00 0.00 C ATOM 33 O GLY A 4 -18.237 24.569 5.095 1.00 0.00 O ATOM 0 H GLY A 4 -19.658 23.159 8.273 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -20.378 24.207 6.425 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -20.214 25.700 7.328 1.00 0.00 H new ATOM 37 N SER A 5 -17.903 26.361 6.415 1.00 0.00 N ATOM 38 CA SER A 5 -16.796 26.878 5.619 1.00 0.00 C ATOM 39 C SER A 5 -15.719 25.814 5.430 1.00 0.00 C ATOM 40 O SER A 5 -15.213 25.249 6.400 1.00 0.00 O ATOM 41 CB SER A 5 -16.194 28.116 6.286 1.00 0.00 C ATOM 42 OG SER A 5 -15.456 28.889 5.356 1.00 0.00 O ATOM 0 H SER A 5 -18.137 26.928 7.230 1.00 0.00 H new ATOM 0 HA SER A 5 -17.185 27.155 4.639 1.00 0.00 H new ATOM 0 HB2 SER A 5 -16.990 28.723 6.718 1.00 0.00 H new ATOM 0 HB3 SER A 5 -15.545 27.811 7.107 1.00 0.00 H new ATOM 0 HG SER A 5 -15.083 29.675 5.807 1.00 0.00 H new ATOM 48 N SER A 6 -15.373 25.547 4.175 1.00 0.00 N ATOM 49 CA SER A 6 -14.359 24.548 3.857 1.00 0.00 C ATOM 50 C SER A 6 -12.961 25.080 4.157 1.00 0.00 C ATOM 51 O SER A 6 -12.563 26.130 3.654 1.00 0.00 O ATOM 52 CB SER A 6 -14.458 24.140 2.386 1.00 0.00 C ATOM 53 OG SER A 6 -14.072 25.205 1.535 1.00 0.00 O ATOM 0 H SER A 6 -15.780 26.008 3.361 1.00 0.00 H new ATOM 0 HA SER A 6 -14.538 23.673 4.481 1.00 0.00 H new ATOM 0 HB2 SER A 6 -13.822 23.274 2.202 1.00 0.00 H new ATOM 0 HB3 SER A 6 -15.480 23.839 2.157 1.00 0.00 H new ATOM 0 HG SER A 6 -13.502 25.829 2.030 1.00 0.00 H new ATOM 59 N GLY A 7 -12.219 24.345 4.981 1.00 0.00 N ATOM 60 CA GLY A 7 -10.873 24.758 5.334 1.00 0.00 C ATOM 61 C GLY A 7 -9.946 23.580 5.558 1.00 0.00 C ATOM 62 O GLY A 7 -8.793 23.600 5.128 1.00 0.00 O ATOM 0 H GLY A 7 -12.526 23.472 5.410 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -10.470 25.388 4.541 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -10.908 25.366 6.238 1.00 0.00 H new ATOM 66 N GLU A 8 -10.450 22.552 6.233 1.00 0.00 N ATOM 67 CA GLU A 8 -9.656 21.361 6.515 1.00 0.00 C ATOM 68 C GLU A 8 -9.740 20.366 5.361 1.00 0.00 C ATOM 69 O GLU A 8 -10.092 19.202 5.555 1.00 0.00 O ATOM 70 CB GLU A 8 -10.132 20.699 7.810 1.00 0.00 C ATOM 71 CG GLU A 8 -9.038 19.940 8.543 1.00 0.00 C ATOM 72 CD GLU A 8 -9.581 19.062 9.654 1.00 0.00 C ATOM 73 OE1 GLU A 8 -9.928 17.896 9.373 1.00 0.00 O ATOM 74 OE2 GLU A 8 -9.659 19.543 10.804 1.00 0.00 O ATOM 0 H GLU A 8 -11.403 22.519 6.595 1.00 0.00 H new ATOM 0 HA GLU A 8 -8.617 21.667 6.633 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -10.538 21.464 8.472 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -10.947 20.013 7.579 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -8.490 19.322 7.831 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -8.326 20.651 8.962 1.00 0.00 H new ATOM 81 N ARG A 9 -9.414 20.833 4.160 1.00 0.00 N ATOM 82 CA ARG A 9 -9.454 19.985 2.975 1.00 0.00 C ATOM 83 C ARG A 9 -8.058 19.815 2.381 1.00 0.00 C ATOM 84 O ARG A 9 -7.895 19.747 1.163 1.00 0.00 O ATOM 85 CB ARG A 9 -10.396 20.581 1.927 1.00 0.00 C ATOM 86 CG ARG A 9 -11.861 20.533 2.328 1.00 0.00 C ATOM 87 CD ARG A 9 -12.327 19.105 2.564 1.00 0.00 C ATOM 88 NE ARG A 9 -13.783 18.994 2.543 1.00 0.00 N ATOM 89 CZ ARG A 9 -14.431 17.835 2.511 1.00 0.00 C ATOM 90 NH1 ARG A 9 -13.756 16.694 2.498 1.00 0.00 N ATOM 91 NH2 ARG A 9 -15.758 17.815 2.494 1.00 0.00 N ATOM 0 H ARG A 9 -9.120 21.793 3.982 1.00 0.00 H new ATOM 0 HA ARG A 9 -9.826 19.005 3.273 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -10.112 21.617 1.743 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -10.267 20.044 0.987 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -12.011 21.120 3.234 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -12.468 20.991 1.547 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -11.903 18.454 1.799 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -11.951 18.755 3.525 1.00 0.00 H new ATOM 0 HE ARG A 9 -14.332 19.853 2.553 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -12.736 16.705 2.513 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -14.257 15.806 2.473 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -16.281 18.690 2.505 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -16.254 16.924 2.469 1.00 0.00 H new ATOM 105 N ARG A 10 -7.055 19.747 3.251 1.00 0.00 N ATOM 106 CA ARG A 10 -5.674 19.587 2.812 1.00 0.00 C ATOM 107 C ARG A 10 -5.533 18.379 1.891 1.00 0.00 C ATOM 108 O ARG A 10 -6.115 17.324 2.141 1.00 0.00 O ATOM 109 CB ARG A 10 -4.748 19.432 4.020 1.00 0.00 C ATOM 110 CG ARG A 10 -3.304 19.809 3.734 1.00 0.00 C ATOM 111 CD ARG A 10 -3.125 21.318 3.673 1.00 0.00 C ATOM 112 NE ARG A 10 -2.930 21.900 4.998 1.00 0.00 N ATOM 113 CZ ARG A 10 -1.829 21.730 5.721 1.00 0.00 C ATOM 114 NH1 ARG A 10 -0.828 20.999 5.249 1.00 0.00 N ATOM 115 NH2 ARG A 10 -1.726 22.292 6.919 1.00 0.00 N ATOM 0 H ARG A 10 -7.173 19.800 4.263 1.00 0.00 H new ATOM 0 HA ARG A 10 -5.389 20.481 2.257 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -5.122 20.052 4.835 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -4.783 18.398 4.364 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -2.658 19.396 4.509 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -2.991 19.366 2.789 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -2.268 21.556 3.043 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -4.000 21.768 3.205 1.00 0.00 H new ATOM 0 HE ARG A 10 -3.681 22.468 5.390 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -0.903 20.566 4.329 1.00 0.00 H new ATOM 0 HH12 ARG A 10 0.016 20.870 5.806 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -2.493 22.855 7.286 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -0.880 22.160 7.473 1.00 0.00 H new ATOM 129 N ALA A 11 -4.756 18.542 0.825 1.00 0.00 N ATOM 130 CA ALA A 11 -4.537 17.465 -0.133 1.00 0.00 C ATOM 131 C ALA A 11 -3.407 16.548 0.321 1.00 0.00 C ATOM 132 O ALA A 11 -2.615 16.888 1.201 1.00 0.00 O ATOM 133 CB ALA A 11 -4.235 18.037 -1.510 1.00 0.00 C ATOM 0 H ALA A 11 -4.268 19.410 0.603 1.00 0.00 H new ATOM 0 HA ALA A 11 -5.450 16.872 -0.191 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -4.074 17.222 -2.215 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -5.076 18.645 -1.844 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -3.339 18.655 -1.459 1.00 0.00 H new ATOM 139 N PRO A 12 -3.328 15.357 -0.290 1.00 0.00 N ATOM 140 CA PRO A 12 -2.298 14.366 0.036 1.00 0.00 C ATOM 141 C PRO A 12 -0.910 14.802 -0.421 1.00 0.00 C ATOM 142 O PRO A 12 -0.774 15.651 -1.302 1.00 0.00 O ATOM 143 CB PRO A 12 -2.748 13.121 -0.733 1.00 0.00 C ATOM 144 CG PRO A 12 -3.560 13.648 -1.865 1.00 0.00 C ATOM 145 CD PRO A 12 -4.239 14.886 -1.347 1.00 0.00 C ATOM 0 HA PRO A 12 -2.207 14.210 1.111 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -1.894 12.547 -1.092 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -3.336 12.456 -0.100 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -2.929 13.879 -2.723 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -4.292 12.911 -2.196 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -4.366 15.633 -2.131 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -5.231 14.665 -0.954 1.00 0.00 H new ATOM 153 N ARG A 13 0.118 14.215 0.184 1.00 0.00 N ATOM 154 CA ARG A 13 1.496 14.544 -0.161 1.00 0.00 C ATOM 155 C ARG A 13 2.179 13.368 -0.853 1.00 0.00 C ATOM 156 O ARG A 13 2.102 12.230 -0.388 1.00 0.00 O ATOM 157 CB ARG A 13 2.279 14.935 1.094 1.00 0.00 C ATOM 158 CG ARG A 13 1.687 16.123 1.836 1.00 0.00 C ATOM 159 CD ARG A 13 0.613 15.687 2.819 1.00 0.00 C ATOM 160 NE ARG A 13 0.197 16.779 3.695 1.00 0.00 N ATOM 161 CZ ARG A 13 -0.794 16.679 4.575 1.00 0.00 C ATOM 162 NH1 ARG A 13 -1.467 15.543 4.694 1.00 0.00 N ATOM 163 NH2 ARG A 13 -1.113 17.717 5.337 1.00 0.00 N ATOM 0 H ARG A 13 0.023 13.510 0.915 1.00 0.00 H new ATOM 0 HA ARG A 13 1.480 15.389 -0.849 1.00 0.00 H new ATOM 0 HB2 ARG A 13 2.319 14.080 1.768 1.00 0.00 H new ATOM 0 HB3 ARG A 13 3.306 15.168 0.813 1.00 0.00 H new ATOM 0 HG2 ARG A 13 2.478 16.651 2.370 1.00 0.00 H new ATOM 0 HG3 ARG A 13 1.262 16.826 1.119 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -0.251 15.314 2.270 1.00 0.00 H new ATOM 0 HD3 ARG A 13 0.988 14.861 3.423 1.00 0.00 H new ATOM 0 HE ARG A 13 0.694 17.667 3.628 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -1.225 14.743 4.109 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -2.227 15.469 5.370 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -0.598 18.593 5.248 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -1.874 17.639 6.012 1.00 0.00 H new ATOM 177 N LYS A 14 2.846 13.650 -1.967 1.00 0.00 N ATOM 178 CA LYS A 14 3.543 12.618 -2.724 1.00 0.00 C ATOM 179 C LYS A 14 4.294 11.673 -1.792 1.00 0.00 C ATOM 180 O LYS A 14 4.992 12.112 -0.878 1.00 0.00 O ATOM 181 CB LYS A 14 4.518 13.254 -3.717 1.00 0.00 C ATOM 182 CG LYS A 14 3.836 13.904 -4.908 1.00 0.00 C ATOM 183 CD LYS A 14 4.838 14.600 -5.813 1.00 0.00 C ATOM 184 CE LYS A 14 4.143 15.373 -6.924 1.00 0.00 C ATOM 185 NZ LYS A 14 3.636 14.470 -7.994 1.00 0.00 N ATOM 0 H LYS A 14 2.918 14.586 -2.366 1.00 0.00 H new ATOM 0 HA LYS A 14 2.799 12.042 -3.274 1.00 0.00 H new ATOM 0 HB2 LYS A 14 5.115 14.003 -3.197 1.00 0.00 H new ATOM 0 HB3 LYS A 14 5.207 12.490 -4.076 1.00 0.00 H new ATOM 0 HG2 LYS A 14 3.295 13.147 -5.476 1.00 0.00 H new ATOM 0 HG3 LYS A 14 3.099 14.626 -4.557 1.00 0.00 H new ATOM 0 HD2 LYS A 14 5.451 15.281 -5.223 1.00 0.00 H new ATOM 0 HD3 LYS A 14 5.511 13.861 -6.248 1.00 0.00 H new ATOM 0 HE2 LYS A 14 3.313 15.943 -6.506 1.00 0.00 H new ATOM 0 HE3 LYS A 14 4.838 16.093 -7.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 3.169 15.034 -8.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 4.431 13.945 -8.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 2.953 13.799 -7.587 1.00 0.00 H new ATOM 199 N GLY A 15 4.148 10.373 -2.029 1.00 0.00 N ATOM 200 CA GLY A 15 4.820 9.387 -1.203 1.00 0.00 C ATOM 201 C GLY A 15 5.556 8.347 -2.024 1.00 0.00 C ATOM 202 O GLY A 15 5.224 8.116 -3.186 1.00 0.00 O ATOM 0 H GLY A 15 3.576 9.985 -2.779 1.00 0.00 H new ATOM 0 HA2 GLY A 15 5.526 9.891 -0.543 1.00 0.00 H new ATOM 0 HA3 GLY A 15 4.087 8.891 -0.566 1.00 0.00 H new ATOM 206 N ASN A 16 6.558 7.718 -1.419 1.00 0.00 N ATOM 207 CA ASN A 16 7.345 6.698 -2.103 1.00 0.00 C ATOM 208 C ASN A 16 7.158 5.335 -1.444 1.00 0.00 C ATOM 209 O ASN A 16 7.076 4.310 -2.123 1.00 0.00 O ATOM 210 CB ASN A 16 8.827 7.080 -2.100 1.00 0.00 C ATOM 211 CG ASN A 16 9.569 6.524 -3.300 1.00 0.00 C ATOM 212 OD1 ASN A 16 9.064 6.549 -4.422 1.00 0.00 O ATOM 213 ND2 ASN A 16 10.775 6.019 -3.067 1.00 0.00 N ATOM 0 H ASN A 16 6.844 7.896 -0.456 1.00 0.00 H new ATOM 0 HA ASN A 16 6.996 6.635 -3.134 1.00 0.00 H new ATOM 0 HB2 ASN A 16 8.920 8.166 -2.090 1.00 0.00 H new ATOM 0 HB3 ASN A 16 9.293 6.712 -1.186 1.00 0.00 H new ATOM 0 HD21 ASN A 16 11.322 5.631 -3.835 1.00 0.00 H new ATOM 0 HD22 ASN A 16 11.154 6.019 -2.120 1.00 0.00 H new ATOM 220 N THR A 17 7.090 5.329 -0.117 1.00 0.00 N ATOM 221 CA THR A 17 6.913 4.093 0.634 1.00 0.00 C ATOM 222 C THR A 17 5.438 3.724 0.746 1.00 0.00 C ATOM 223 O THR A 17 4.563 4.585 0.648 1.00 0.00 O ATOM 224 CB THR A 17 7.511 4.205 2.049 1.00 0.00 C ATOM 225 OG1 THR A 17 8.689 5.018 2.020 1.00 0.00 O ATOM 226 CG2 THR A 17 7.851 2.829 2.603 1.00 0.00 C ATOM 0 H THR A 17 7.155 6.167 0.460 1.00 0.00 H new ATOM 0 HA THR A 17 7.440 3.312 0.086 1.00 0.00 H new ATOM 0 HB THR A 17 6.768 4.667 2.699 1.00 0.00 H new ATOM 0 HG1 THR A 17 9.062 5.086 2.924 1.00 0.00 H new ATOM 0 HG21 THR A 17 8.272 2.933 3.603 1.00 0.00 H new ATOM 0 HG22 THR A 17 6.947 2.223 2.651 1.00 0.00 H new ATOM 0 HG23 THR A 17 8.579 2.344 1.952 1.00 0.00 H new ATOM 234 N LEU A 18 5.168 2.440 0.953 1.00 0.00 N ATOM 235 CA LEU A 18 3.798 1.956 1.079 1.00 0.00 C ATOM 236 C LEU A 18 3.676 0.957 2.225 1.00 0.00 C ATOM 237 O LEU A 18 4.408 -0.032 2.280 1.00 0.00 O ATOM 238 CB LEU A 18 3.343 1.307 -0.229 1.00 0.00 C ATOM 239 CG LEU A 18 3.783 2.007 -1.515 1.00 0.00 C ATOM 240 CD1 LEU A 18 3.385 1.188 -2.733 1.00 0.00 C ATOM 241 CD2 LEU A 18 3.187 3.405 -1.592 1.00 0.00 C ATOM 0 H LEU A 18 5.880 1.715 1.037 1.00 0.00 H new ATOM 0 HA LEU A 18 3.156 2.810 1.296 1.00 0.00 H new ATOM 0 HB2 LEU A 18 3.715 0.283 -0.251 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.254 1.251 -0.224 1.00 0.00 H new ATOM 0 HG LEU A 18 4.869 2.097 -1.503 1.00 0.00 H new ATOM 0 HD11 LEU A 18 3.707 1.703 -3.638 1.00 0.00 H new ATOM 0 HD12 LEU A 18 3.860 0.208 -2.684 1.00 0.00 H new ATOM 0 HD13 LEU A 18 2.302 1.065 -2.751 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.511 3.888 -2.514 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.099 3.338 -1.580 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.524 3.992 -0.737 1.00 0.00 H new ATOM 253 N TYR A 19 2.747 1.220 3.137 1.00 0.00 N ATOM 254 CA TYR A 19 2.529 0.344 4.282 1.00 0.00 C ATOM 255 C TYR A 19 1.691 -0.868 3.888 1.00 0.00 C ATOM 256 O TYR A 19 0.481 -0.764 3.692 1.00 0.00 O ATOM 257 CB TYR A 19 1.840 1.110 5.412 1.00 0.00 C ATOM 258 CG TYR A 19 1.701 0.311 6.688 1.00 0.00 C ATOM 259 CD1 TYR A 19 0.682 -0.621 6.841 1.00 0.00 C ATOM 260 CD2 TYR A 19 2.591 0.486 7.741 1.00 0.00 C ATOM 261 CE1 TYR A 19 0.551 -1.352 8.005 1.00 0.00 C ATOM 262 CE2 TYR A 19 2.469 -0.242 8.909 1.00 0.00 C ATOM 263 CZ TYR A 19 1.448 -1.160 9.036 1.00 0.00 C ATOM 264 OH TYR A 19 1.322 -1.888 10.197 1.00 0.00 O ATOM 0 H TYR A 19 2.132 2.033 3.106 1.00 0.00 H new ATOM 0 HA TYR A 19 3.501 -0.007 4.630 1.00 0.00 H new ATOM 0 HB2 TYR A 19 2.405 2.018 5.622 1.00 0.00 H new ATOM 0 HB3 TYR A 19 0.850 1.421 5.078 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -0.020 -0.776 6.035 1.00 0.00 H new ATOM 0 HD2 TYR A 19 3.392 1.204 7.645 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -0.249 -2.070 8.108 1.00 0.00 H new ATOM 0 HE2 TYR A 19 3.169 -0.093 9.718 1.00 0.00 H new ATOM 0 HH TYR A 19 2.031 -2.564 10.238 1.00 0.00 H new ATOM 274 N VAL A 20 2.345 -2.020 3.776 1.00 0.00 N ATOM 275 CA VAL A 20 1.662 -3.255 3.408 1.00 0.00 C ATOM 276 C VAL A 20 1.289 -4.065 4.644 1.00 0.00 C ATOM 277 O VAL A 20 2.058 -4.147 5.602 1.00 0.00 O ATOM 278 CB VAL A 20 2.533 -4.124 2.482 1.00 0.00 C ATOM 279 CG1 VAL A 20 1.695 -5.210 1.825 1.00 0.00 C ATOM 280 CG2 VAL A 20 3.219 -3.261 1.433 1.00 0.00 C ATOM 0 H VAL A 20 3.347 -2.124 3.935 1.00 0.00 H new ATOM 0 HA VAL A 20 0.754 -2.969 2.877 1.00 0.00 H new ATOM 0 HB VAL A 20 3.303 -4.607 3.083 1.00 0.00 H new ATOM 0 HG11 VAL A 20 2.327 -5.814 1.174 1.00 0.00 H new ATOM 0 HG12 VAL A 20 1.254 -5.845 2.594 1.00 0.00 H new ATOM 0 HG13 VAL A 20 0.902 -4.751 1.235 1.00 0.00 H new ATOM 0 HG21 VAL A 20 3.831 -3.891 0.787 1.00 0.00 H new ATOM 0 HG22 VAL A 20 2.466 -2.749 0.834 1.00 0.00 H new ATOM 0 HG23 VAL A 20 3.853 -2.524 1.926 1.00 0.00 H new ATOM 290 N TYR A 21 0.103 -4.664 4.616 1.00 0.00 N ATOM 291 CA TYR A 21 -0.374 -5.468 5.735 1.00 0.00 C ATOM 292 C TYR A 21 -0.937 -6.799 5.249 1.00 0.00 C ATOM 293 O TYR A 21 -1.924 -6.838 4.515 1.00 0.00 O ATOM 294 CB TYR A 21 -1.443 -4.705 6.519 1.00 0.00 C ATOM 295 CG TYR A 21 -2.350 -5.599 7.334 1.00 0.00 C ATOM 296 CD1 TYR A 21 -1.832 -6.641 8.093 1.00 0.00 C ATOM 297 CD2 TYR A 21 -3.725 -5.401 7.346 1.00 0.00 C ATOM 298 CE1 TYR A 21 -2.656 -7.461 8.839 1.00 0.00 C ATOM 299 CE2 TYR A 21 -4.558 -6.215 8.089 1.00 0.00 C ATOM 300 CZ TYR A 21 -4.019 -7.244 8.834 1.00 0.00 C ATOM 301 OH TYR A 21 -4.844 -8.057 9.576 1.00 0.00 O ATOM 0 H TYR A 21 -0.545 -4.608 3.831 1.00 0.00 H new ATOM 0 HA TYR A 21 0.473 -5.671 6.391 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -0.955 -3.993 7.185 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -2.049 -4.126 5.822 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -0.766 -6.813 8.100 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -4.150 -4.597 6.764 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -2.236 -8.267 9.423 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -5.625 -6.047 8.087 1.00 0.00 H new ATOM 0 HH TYR A 21 -5.774 -7.769 9.464 1.00 0.00 H new ATOM 311 N GLY A 22 -0.301 -7.891 5.664 1.00 0.00 N ATOM 312 CA GLY A 22 -0.752 -9.210 5.262 1.00 0.00 C ATOM 313 C GLY A 22 -0.690 -10.214 6.396 1.00 0.00 C ATOM 314 O GLY A 22 -0.261 -9.886 7.502 1.00 0.00 O ATOM 0 H GLY A 22 0.518 -7.885 6.271 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -1.776 -9.144 4.895 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -0.138 -9.564 4.434 1.00 0.00 H new ATOM 318 N GLU A 23 -1.121 -11.442 6.122 1.00 0.00 N ATOM 319 CA GLU A 23 -1.115 -12.496 7.130 1.00 0.00 C ATOM 320 C GLU A 23 -0.206 -13.646 6.708 1.00 0.00 C ATOM 321 O GLU A 23 0.859 -13.855 7.288 1.00 0.00 O ATOM 322 CB GLU A 23 -2.535 -13.014 7.367 1.00 0.00 C ATOM 323 CG GLU A 23 -3.603 -11.938 7.252 1.00 0.00 C ATOM 324 CD GLU A 23 -3.714 -11.375 5.848 1.00 0.00 C ATOM 325 OE1 GLU A 23 -3.714 -12.171 4.887 1.00 0.00 O ATOM 326 OE2 GLU A 23 -3.802 -10.136 5.712 1.00 0.00 O ATOM 0 H GLU A 23 -1.478 -11.731 5.211 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.731 -12.074 8.059 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -2.749 -13.805 6.648 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -2.588 -13.462 8.359 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -4.566 -12.353 7.550 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -3.376 -11.130 7.947 1.00 0.00 H new ATOM 333 N ASP A 24 -0.636 -14.391 5.695 1.00 0.00 N ATOM 334 CA ASP A 24 0.139 -15.520 5.194 1.00 0.00 C ATOM 335 C ASP A 24 0.872 -15.149 3.909 1.00 0.00 C ATOM 336 O ASP A 24 0.751 -15.835 2.894 1.00 0.00 O ATOM 337 CB ASP A 24 -0.775 -16.722 4.946 1.00 0.00 C ATOM 338 CG ASP A 24 -0.034 -18.041 5.041 1.00 0.00 C ATOM 339 OD1 ASP A 24 1.134 -18.100 4.601 1.00 0.00 O ATOM 340 OD2 ASP A 24 -0.621 -19.016 5.556 1.00 0.00 O ATOM 0 H ASP A 24 -1.517 -14.233 5.205 1.00 0.00 H new ATOM 0 HA ASP A 24 0.879 -15.785 5.949 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -1.588 -16.712 5.672 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -1.228 -16.633 3.958 1.00 0.00 H new ATOM 345 N MET A 25 1.631 -14.060 3.960 1.00 0.00 N ATOM 346 CA MET A 25 2.384 -13.598 2.800 1.00 0.00 C ATOM 347 C MET A 25 3.869 -13.477 3.128 1.00 0.00 C ATOM 348 O MET A 25 4.243 -13.215 4.271 1.00 0.00 O ATOM 349 CB MET A 25 1.844 -12.249 2.319 1.00 0.00 C ATOM 350 CG MET A 25 1.281 -11.387 3.436 1.00 0.00 C ATOM 351 SD MET A 25 2.505 -11.004 4.703 1.00 0.00 S ATOM 352 CE MET A 25 2.553 -9.217 4.599 1.00 0.00 C ATOM 0 H MET A 25 1.741 -13.481 4.792 1.00 0.00 H new ATOM 0 HA MET A 25 2.265 -14.334 2.004 1.00 0.00 H new ATOM 0 HB2 MET A 25 2.645 -11.704 1.819 1.00 0.00 H new ATOM 0 HB3 MET A 25 1.065 -12.423 1.577 1.00 0.00 H new ATOM 0 HG2 MET A 25 0.898 -10.458 3.014 1.00 0.00 H new ATOM 0 HG3 MET A 25 0.437 -11.901 3.896 1.00 0.00 H new ATOM 0 HE1 MET A 25 3.467 -8.906 4.092 1.00 0.00 H new ATOM 0 HE2 MET A 25 1.688 -8.862 4.038 1.00 0.00 H new ATOM 0 HE3 MET A 25 2.533 -8.793 5.603 1.00 0.00 H new ATOM 362 N THR A 26 4.711 -13.671 2.117 1.00 0.00 N ATOM 363 CA THR A 26 6.154 -13.586 2.299 1.00 0.00 C ATOM 364 C THR A 26 6.764 -12.539 1.373 1.00 0.00 C ATOM 365 O THR A 26 6.186 -12.167 0.352 1.00 0.00 O ATOM 366 CB THR A 26 6.835 -14.943 2.040 1.00 0.00 C ATOM 367 OG1 THR A 26 6.264 -15.564 0.883 1.00 0.00 O ATOM 368 CG2 THR A 26 6.684 -15.862 3.242 1.00 0.00 C ATOM 0 H THR A 26 4.418 -13.888 1.164 1.00 0.00 H new ATOM 0 HA THR A 26 6.325 -13.295 3.335 1.00 0.00 H new ATOM 0 HB THR A 26 7.897 -14.766 1.870 1.00 0.00 H new ATOM 0 HG1 THR A 26 6.703 -16.425 0.724 1.00 0.00 H new ATOM 0 HG21 THR A 26 7.173 -16.814 3.036 1.00 0.00 H new ATOM 0 HG22 THR A 26 7.145 -15.399 4.114 1.00 0.00 H new ATOM 0 HG23 THR A 26 5.626 -16.033 3.439 1.00 0.00 H new ATOM 376 N PRO A 27 7.960 -12.053 1.735 1.00 0.00 N ATOM 377 CA PRO A 27 8.675 -11.043 0.949 1.00 0.00 C ATOM 378 C PRO A 27 8.726 -11.393 -0.535 1.00 0.00 C ATOM 379 O PRO A 27 8.307 -10.606 -1.384 1.00 0.00 O ATOM 380 CB PRO A 27 10.083 -11.056 1.550 1.00 0.00 C ATOM 381 CG PRO A 27 9.893 -11.535 2.948 1.00 0.00 C ATOM 382 CD PRO A 27 8.708 -12.451 2.940 1.00 0.00 C ATOM 0 HA PRO A 27 8.186 -10.070 0.995 1.00 0.00 H new ATOM 0 HB2 PRO A 27 10.746 -11.717 0.992 1.00 0.00 H new ATOM 0 HB3 PRO A 27 10.532 -10.063 1.529 1.00 0.00 H new ATOM 0 HG2 PRO A 27 10.782 -12.058 3.301 1.00 0.00 H new ATOM 0 HG3 PRO A 27 9.727 -10.696 3.624 1.00 0.00 H new ATOM 0 HD2 PRO A 27 9.012 -13.497 2.894 1.00 0.00 H new ATOM 0 HD3 PRO A 27 8.106 -12.333 3.841 1.00 0.00 H new ATOM 390 N THR A 28 9.243 -12.579 -0.841 1.00 0.00 N ATOM 391 CA THR A 28 9.349 -13.033 -2.222 1.00 0.00 C ATOM 392 C THR A 28 8.043 -12.812 -2.976 1.00 0.00 C ATOM 393 O THR A 28 8.047 -12.469 -4.158 1.00 0.00 O ATOM 394 CB THR A 28 9.726 -14.525 -2.295 1.00 0.00 C ATOM 395 OG1 THR A 28 10.993 -14.742 -1.665 1.00 0.00 O ATOM 396 CG2 THR A 28 9.784 -14.998 -3.740 1.00 0.00 C ATOM 0 H THR A 28 9.595 -13.242 -0.151 1.00 0.00 H new ATOM 0 HA THR A 28 10.138 -12.443 -2.689 1.00 0.00 H new ATOM 0 HB THR A 28 8.959 -15.097 -1.773 1.00 0.00 H new ATOM 0 HG1 THR A 28 11.224 -15.693 -1.714 1.00 0.00 H new ATOM 0 HG21 THR A 28 10.052 -16.054 -3.767 1.00 0.00 H new ATOM 0 HG22 THR A 28 8.809 -14.859 -4.208 1.00 0.00 H new ATOM 0 HG23 THR A 28 10.532 -14.420 -4.282 1.00 0.00 H new ATOM 404 N LEU A 29 6.926 -13.011 -2.284 1.00 0.00 N ATOM 405 CA LEU A 29 5.610 -12.833 -2.889 1.00 0.00 C ATOM 406 C LEU A 29 5.370 -11.370 -3.248 1.00 0.00 C ATOM 407 O LEU A 29 5.027 -11.047 -4.386 1.00 0.00 O ATOM 408 CB LEU A 29 4.519 -13.322 -1.936 1.00 0.00 C ATOM 409 CG LEU A 29 3.164 -13.636 -2.571 1.00 0.00 C ATOM 410 CD1 LEU A 29 2.323 -14.494 -1.638 1.00 0.00 C ATOM 411 CD2 LEU A 29 2.430 -12.351 -2.925 1.00 0.00 C ATOM 0 H LEU A 29 6.905 -13.295 -1.305 1.00 0.00 H new ATOM 0 HA LEU A 29 5.575 -13.423 -3.805 1.00 0.00 H new ATOM 0 HB2 LEU A 29 4.879 -14.220 -1.434 1.00 0.00 H new ATOM 0 HB3 LEU A 29 4.370 -12.564 -1.167 1.00 0.00 H new ATOM 0 HG LEU A 29 3.336 -14.197 -3.490 1.00 0.00 H new ATOM 0 HD11 LEU A 29 1.362 -14.707 -2.107 1.00 0.00 H new ATOM 0 HD12 LEU A 29 2.844 -15.430 -1.436 1.00 0.00 H new ATOM 0 HD13 LEU A 29 2.159 -13.960 -0.702 1.00 0.00 H new ATOM 0 HD21 LEU A 29 1.468 -12.594 -3.376 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.269 -11.763 -2.021 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.026 -11.774 -3.632 1.00 0.00 H new ATOM 423 N LEU A 30 5.553 -10.489 -2.271 1.00 0.00 N ATOM 424 CA LEU A 30 5.358 -9.059 -2.484 1.00 0.00 C ATOM 425 C LEU A 30 6.263 -8.546 -3.599 1.00 0.00 C ATOM 426 O LEU A 30 5.929 -7.583 -4.290 1.00 0.00 O ATOM 427 CB LEU A 30 5.634 -8.288 -1.191 1.00 0.00 C ATOM 428 CG LEU A 30 5.121 -8.932 0.097 1.00 0.00 C ATOM 429 CD1 LEU A 30 5.261 -7.971 1.267 1.00 0.00 C ATOM 430 CD2 LEU A 30 3.673 -9.370 -0.066 1.00 0.00 C ATOM 0 H LEU A 30 5.836 -10.739 -1.324 1.00 0.00 H new ATOM 0 HA LEU A 30 4.321 -8.899 -2.781 1.00 0.00 H new ATOM 0 HB2 LEU A 30 6.711 -8.146 -1.099 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.189 -7.297 -1.280 1.00 0.00 H new ATOM 0 HG LEU A 30 5.725 -9.815 0.305 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.891 -8.447 2.175 1.00 0.00 H new ATOM 0 HD12 LEU A 30 6.311 -7.707 1.398 1.00 0.00 H new ATOM 0 HD13 LEU A 30 4.682 -7.069 1.068 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.324 -9.826 0.860 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.055 -8.503 -0.299 1.00 0.00 H new ATOM 0 HD23 LEU A 30 3.601 -10.095 -0.877 1.00 0.00 H new ATOM 442 N ARG A 31 7.410 -9.196 -3.769 1.00 0.00 N ATOM 443 CA ARG A 31 8.363 -8.806 -4.801 1.00 0.00 C ATOM 444 C ARG A 31 7.732 -8.902 -6.188 1.00 0.00 C ATOM 445 O ARG A 31 7.857 -7.988 -7.002 1.00 0.00 O ATOM 446 CB ARG A 31 9.610 -9.690 -4.734 1.00 0.00 C ATOM 447 CG ARG A 31 10.516 -9.376 -3.555 1.00 0.00 C ATOM 448 CD ARG A 31 11.792 -10.202 -3.597 1.00 0.00 C ATOM 449 NE ARG A 31 12.697 -9.757 -4.654 1.00 0.00 N ATOM 450 CZ ARG A 31 13.424 -8.649 -4.580 1.00 0.00 C ATOM 451 NH1 ARG A 31 13.354 -7.876 -3.505 1.00 0.00 N ATOM 452 NH2 ARG A 31 14.225 -8.311 -5.583 1.00 0.00 N ATOM 0 H ARG A 31 7.702 -9.995 -3.206 1.00 0.00 H new ATOM 0 HA ARG A 31 8.650 -7.770 -4.622 1.00 0.00 H new ATOM 0 HB2 ARG A 31 9.302 -10.734 -4.677 1.00 0.00 H new ATOM 0 HB3 ARG A 31 10.177 -9.575 -5.658 1.00 0.00 H new ATOM 0 HG2 ARG A 31 10.768 -8.315 -3.561 1.00 0.00 H new ATOM 0 HG3 ARG A 31 9.985 -9.573 -2.624 1.00 0.00 H new ATOM 0 HD2 ARG A 31 12.299 -10.136 -2.634 1.00 0.00 H new ATOM 0 HD3 ARG A 31 11.540 -11.251 -3.753 1.00 0.00 H new ATOM 0 HE ARG A 31 12.774 -10.329 -5.495 1.00 0.00 H new ATOM 0 HH11 ARG A 31 12.740 -8.132 -2.732 1.00 0.00 H new ATOM 0 HH12 ARG A 31 13.914 -7.025 -3.451 1.00 0.00 H new ATOM 0 HH21 ARG A 31 14.282 -8.903 -6.412 1.00 0.00 H new ATOM 0 HH22 ARG A 31 14.783 -7.459 -5.525 1.00 0.00 H new ATOM 466 N GLY A 32 7.055 -10.016 -6.449 1.00 0.00 N ATOM 467 CA GLY A 32 6.416 -10.211 -7.737 1.00 0.00 C ATOM 468 C GLY A 32 5.012 -9.643 -7.780 1.00 0.00 C ATOM 469 O GLY A 32 4.369 -9.636 -8.829 1.00 0.00 O ATOM 0 H GLY A 32 6.938 -10.787 -5.791 1.00 0.00 H new ATOM 0 HA2 GLY A 32 7.019 -9.740 -8.513 1.00 0.00 H new ATOM 0 HA3 GLY A 32 6.381 -11.277 -7.964 1.00 0.00 H new ATOM 473 N ALA A 33 4.534 -9.165 -6.636 1.00 0.00 N ATOM 474 CA ALA A 33 3.197 -8.591 -6.547 1.00 0.00 C ATOM 475 C ALA A 33 3.242 -7.072 -6.669 1.00 0.00 C ATOM 476 O ALA A 33 2.311 -6.452 -7.184 1.00 0.00 O ATOM 477 CB ALA A 33 2.534 -8.998 -5.239 1.00 0.00 C ATOM 0 H ALA A 33 5.053 -9.164 -5.758 1.00 0.00 H new ATOM 0 HA ALA A 33 2.606 -8.978 -7.377 1.00 0.00 H new ATOM 0 HB1 ALA A 33 1.536 -8.562 -5.186 1.00 0.00 H new ATOM 0 HB2 ALA A 33 2.459 -10.084 -5.192 1.00 0.00 H new ATOM 0 HB3 ALA A 33 3.132 -8.639 -4.401 1.00 0.00 H new ATOM 483 N PHE A 34 4.330 -6.477 -6.192 1.00 0.00 N ATOM 484 CA PHE A 34 4.496 -5.029 -6.247 1.00 0.00 C ATOM 485 C PHE A 34 5.316 -4.621 -7.467 1.00 0.00 C ATOM 486 O PHE A 34 5.186 -3.506 -7.972 1.00 0.00 O ATOM 487 CB PHE A 34 5.173 -4.523 -4.971 1.00 0.00 C ATOM 488 CG PHE A 34 4.241 -4.425 -3.797 1.00 0.00 C ATOM 489 CD1 PHE A 34 3.814 -5.566 -3.137 1.00 0.00 C ATOM 490 CD2 PHE A 34 3.793 -3.191 -3.353 1.00 0.00 C ATOM 491 CE1 PHE A 34 2.957 -5.478 -2.057 1.00 0.00 C ATOM 492 CE2 PHE A 34 2.935 -3.097 -2.273 1.00 0.00 C ATOM 493 CZ PHE A 34 2.517 -4.242 -1.624 1.00 0.00 C ATOM 0 H PHE A 34 5.110 -6.975 -5.763 1.00 0.00 H new ATOM 0 HA PHE A 34 3.507 -4.578 -6.329 1.00 0.00 H new ATOM 0 HB2 PHE A 34 5.996 -5.191 -4.717 1.00 0.00 H new ATOM 0 HB3 PHE A 34 5.606 -3.542 -5.164 1.00 0.00 H new ATOM 0 HD1 PHE A 34 4.155 -6.535 -3.471 1.00 0.00 H new ATOM 0 HD2 PHE A 34 4.118 -2.292 -3.856 1.00 0.00 H new ATOM 0 HE1 PHE A 34 2.631 -6.375 -1.551 1.00 0.00 H new ATOM 0 HE2 PHE A 34 2.592 -2.129 -1.937 1.00 0.00 H new ATOM 0 HZ PHE A 34 1.847 -4.171 -0.780 1.00 0.00 H new ATOM 503 N SER A 35 6.162 -5.533 -7.936 1.00 0.00 N ATOM 504 CA SER A 35 7.007 -5.267 -9.094 1.00 0.00 C ATOM 505 C SER A 35 6.171 -4.803 -10.282 1.00 0.00 C ATOM 506 O SER A 35 6.498 -3.831 -10.963 1.00 0.00 O ATOM 507 CB SER A 35 7.799 -6.521 -9.472 1.00 0.00 C ATOM 508 OG SER A 35 8.000 -6.594 -10.873 1.00 0.00 O ATOM 0 H SER A 35 6.280 -6.462 -7.532 1.00 0.00 H new ATOM 0 HA SER A 35 7.703 -4.471 -8.830 1.00 0.00 H new ATOM 0 HB2 SER A 35 8.763 -6.513 -8.963 1.00 0.00 H new ATOM 0 HB3 SER A 35 7.266 -7.408 -9.131 1.00 0.00 H new ATOM 0 HG SER A 35 8.510 -7.403 -11.089 1.00 0.00 H new ATOM 514 N PRO A 36 5.063 -5.515 -10.539 1.00 0.00 N ATOM 515 CA PRO A 36 4.155 -5.195 -11.645 1.00 0.00 C ATOM 516 C PRO A 36 3.797 -3.713 -11.691 1.00 0.00 C ATOM 517 O PRO A 36 3.579 -3.150 -12.764 1.00 0.00 O ATOM 518 CB PRO A 36 2.913 -6.036 -11.338 1.00 0.00 C ATOM 519 CG PRO A 36 3.420 -7.180 -10.531 1.00 0.00 C ATOM 520 CD PRO A 36 4.611 -6.686 -9.769 1.00 0.00 C ATOM 0 HA PRO A 36 4.603 -5.409 -12.615 1.00 0.00 H new ATOM 0 HB2 PRO A 36 2.171 -5.459 -10.785 1.00 0.00 H new ATOM 0 HB3 PRO A 36 2.432 -6.380 -12.253 1.00 0.00 H new ATOM 0 HG2 PRO A 36 2.650 -7.543 -9.850 1.00 0.00 H new ATOM 0 HG3 PRO A 36 3.694 -8.015 -11.176 1.00 0.00 H new ATOM 0 HD2 PRO A 36 4.347 -6.414 -8.747 1.00 0.00 H new ATOM 0 HD3 PRO A 36 5.389 -7.447 -9.706 1.00 0.00 H new ATOM 528 N PHE A 37 3.739 -3.086 -10.521 1.00 0.00 N ATOM 529 CA PHE A 37 3.407 -1.669 -10.428 1.00 0.00 C ATOM 530 C PHE A 37 4.637 -0.804 -10.690 1.00 0.00 C ATOM 531 O PHE A 37 4.548 0.243 -11.329 1.00 0.00 O ATOM 532 CB PHE A 37 2.829 -1.349 -9.048 1.00 0.00 C ATOM 533 CG PHE A 37 1.485 -1.973 -8.802 1.00 0.00 C ATOM 534 CD1 PHE A 37 1.386 -3.276 -8.343 1.00 0.00 C ATOM 535 CD2 PHE A 37 0.321 -1.256 -9.030 1.00 0.00 C ATOM 536 CE1 PHE A 37 0.151 -3.854 -8.114 1.00 0.00 C ATOM 537 CE2 PHE A 37 -0.916 -1.828 -8.803 1.00 0.00 C ATOM 538 CZ PHE A 37 -1.002 -3.129 -8.346 1.00 0.00 C ATOM 0 H PHE A 37 3.918 -3.537 -9.624 1.00 0.00 H new ATOM 0 HA PHE A 37 2.659 -1.446 -11.189 1.00 0.00 H new ATOM 0 HB2 PHE A 37 3.525 -1.692 -8.283 1.00 0.00 H new ATOM 0 HB3 PHE A 37 2.744 -0.268 -8.940 1.00 0.00 H new ATOM 0 HD1 PHE A 37 2.284 -3.847 -8.162 1.00 0.00 H new ATOM 0 HD2 PHE A 37 0.382 -0.239 -9.389 1.00 0.00 H new ATOM 0 HE1 PHE A 37 0.088 -4.870 -7.754 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -1.816 -1.258 -8.983 1.00 0.00 H new ATOM 0 HZ PHE A 37 -1.968 -3.578 -8.171 1.00 0.00 H new ATOM 548 N GLY A 38 5.785 -1.252 -10.191 1.00 0.00 N ATOM 549 CA GLY A 38 7.016 -0.507 -10.380 1.00 0.00 C ATOM 550 C GLY A 38 8.239 -1.288 -9.942 1.00 0.00 C ATOM 551 O GLY A 38 8.187 -2.509 -9.801 1.00 0.00 O ATOM 0 H GLY A 38 5.884 -2.117 -9.660 1.00 0.00 H new ATOM 0 HA2 GLY A 38 7.117 -0.239 -11.432 1.00 0.00 H new ATOM 0 HA3 GLY A 38 6.963 0.425 -9.817 1.00 0.00 H new ATOM 555 N ASN A 39 9.345 -0.582 -9.729 1.00 0.00 N ATOM 556 CA ASN A 39 10.588 -1.218 -9.306 1.00 0.00 C ATOM 557 C ASN A 39 10.747 -1.148 -7.791 1.00 0.00 C ATOM 558 O ASN A 39 10.777 -0.063 -7.209 1.00 0.00 O ATOM 559 CB ASN A 39 11.784 -0.550 -9.987 1.00 0.00 C ATOM 560 CG ASN A 39 13.107 -1.152 -9.555 1.00 0.00 C ATOM 561 OD1 ASN A 39 13.324 -2.357 -9.682 1.00 0.00 O ATOM 562 ND2 ASN A 39 13.998 -0.313 -9.039 1.00 0.00 N ATOM 0 H ASN A 39 9.406 0.430 -9.842 1.00 0.00 H new ATOM 0 HA ASN A 39 10.549 -2.267 -9.601 1.00 0.00 H new ATOM 0 HB2 ASN A 39 11.682 -0.643 -11.068 1.00 0.00 H new ATOM 0 HB3 ASN A 39 11.781 0.516 -9.757 1.00 0.00 H new ATOM 0 HD21 ASN A 39 14.906 -0.660 -8.729 1.00 0.00 H new ATOM 0 HD22 ASN A 39 13.775 0.679 -8.953 1.00 0.00 H new ATOM 569 N ILE A 40 10.850 -2.312 -7.158 1.00 0.00 N ATOM 570 CA ILE A 40 11.008 -2.382 -5.710 1.00 0.00 C ATOM 571 C ILE A 40 12.460 -2.156 -5.304 1.00 0.00 C ATOM 572 O ILE A 40 13.320 -3.005 -5.540 1.00 0.00 O ATOM 573 CB ILE A 40 10.538 -3.741 -5.158 1.00 0.00 C ATOM 574 CG1 ILE A 40 9.110 -4.038 -5.621 1.00 0.00 C ATOM 575 CG2 ILE A 40 10.622 -3.753 -3.639 1.00 0.00 C ATOM 576 CD1 ILE A 40 8.661 -5.452 -5.326 1.00 0.00 C ATOM 0 H ILE A 40 10.827 -3.219 -7.624 1.00 0.00 H new ATOM 0 HA ILE A 40 10.388 -1.592 -5.286 1.00 0.00 H new ATOM 0 HB ILE A 40 11.194 -4.521 -5.545 1.00 0.00 H new ATOM 0 HG12 ILE A 40 8.427 -3.340 -5.137 1.00 0.00 H new ATOM 0 HG13 ILE A 40 9.040 -3.860 -6.694 1.00 0.00 H new ATOM 0 HG21 ILE A 40 10.287 -4.720 -3.264 1.00 0.00 H new ATOM 0 HG22 ILE A 40 11.653 -3.582 -3.330 1.00 0.00 H new ATOM 0 HG23 ILE A 40 9.986 -2.966 -3.233 1.00 0.00 H new ATOM 0 HD11 ILE A 40 7.640 -5.591 -5.681 1.00 0.00 H new ATOM 0 HD12 ILE A 40 9.321 -6.156 -5.833 1.00 0.00 H new ATOM 0 HD13 ILE A 40 8.698 -5.629 -4.251 1.00 0.00 H new ATOM 588 N ILE A 41 12.725 -1.007 -4.692 1.00 0.00 N ATOM 589 CA ILE A 41 14.073 -0.671 -4.250 1.00 0.00 C ATOM 590 C ILE A 41 14.247 -0.943 -2.760 1.00 0.00 C ATOM 591 O ILE A 41 15.344 -1.263 -2.301 1.00 0.00 O ATOM 592 CB ILE A 41 14.406 0.806 -4.532 1.00 0.00 C ATOM 593 CG1 ILE A 41 13.212 1.697 -4.180 1.00 0.00 C ATOM 594 CG2 ILE A 41 14.799 0.991 -5.990 1.00 0.00 C ATOM 595 CD1 ILE A 41 13.514 3.176 -4.274 1.00 0.00 C ATOM 0 H ILE A 41 12.025 -0.293 -4.491 1.00 0.00 H new ATOM 0 HA ILE A 41 14.757 -1.304 -4.815 1.00 0.00 H new ATOM 0 HB ILE A 41 15.250 1.098 -3.908 1.00 0.00 H new ATOM 0 HG12 ILE A 41 12.383 1.460 -4.847 1.00 0.00 H new ATOM 0 HG13 ILE A 41 12.882 1.465 -3.167 1.00 0.00 H new ATOM 0 HG21 ILE A 41 15.031 2.040 -6.174 1.00 0.00 H new ATOM 0 HG22 ILE A 41 15.675 0.381 -6.211 1.00 0.00 H new ATOM 0 HG23 ILE A 41 13.973 0.685 -6.631 1.00 0.00 H new ATOM 0 HD11 ILE A 41 12.623 3.747 -4.011 1.00 0.00 H new ATOM 0 HD12 ILE A 41 14.322 3.427 -3.586 1.00 0.00 H new ATOM 0 HD13 ILE A 41 13.815 3.422 -5.292 1.00 0.00 H new ATOM 607 N ASP A 42 13.158 -0.816 -2.010 1.00 0.00 N ATOM 608 CA ASP A 42 13.189 -1.052 -0.571 1.00 0.00 C ATOM 609 C ASP A 42 11.978 -1.866 -0.127 1.00 0.00 C ATOM 610 O ASP A 42 10.856 -1.359 -0.088 1.00 0.00 O ATOM 611 CB ASP A 42 13.229 0.278 0.184 1.00 0.00 C ATOM 612 CG ASP A 42 13.913 0.158 1.532 1.00 0.00 C ATOM 613 OD1 ASP A 42 15.157 0.054 1.559 1.00 0.00 O ATOM 614 OD2 ASP A 42 13.204 0.166 2.560 1.00 0.00 O ATOM 0 H ASP A 42 12.243 -0.551 -2.374 1.00 0.00 H new ATOM 0 HA ASP A 42 14.090 -1.620 -0.340 1.00 0.00 H new ATOM 0 HB2 ASP A 42 13.751 1.020 -0.420 1.00 0.00 H new ATOM 0 HB3 ASP A 42 12.212 0.642 0.327 1.00 0.00 H new ATOM 619 N LEU A 43 12.211 -3.131 0.205 1.00 0.00 N ATOM 620 CA LEU A 43 11.139 -4.017 0.645 1.00 0.00 C ATOM 621 C LEU A 43 11.492 -4.682 1.971 1.00 0.00 C ATOM 622 O LEU A 43 12.378 -5.534 2.034 1.00 0.00 O ATOM 623 CB LEU A 43 10.865 -5.084 -0.416 1.00 0.00 C ATOM 624 CG LEU A 43 10.135 -6.338 0.066 1.00 0.00 C ATOM 625 CD1 LEU A 43 8.855 -5.963 0.797 1.00 0.00 C ATOM 626 CD2 LEU A 43 9.831 -7.262 -1.105 1.00 0.00 C ATOM 0 H LEU A 43 13.133 -3.566 0.178 1.00 0.00 H new ATOM 0 HA LEU A 43 10.241 -3.416 0.788 1.00 0.00 H new ATOM 0 HB2 LEU A 43 10.278 -4.631 -1.215 1.00 0.00 H new ATOM 0 HB3 LEU A 43 11.817 -5.387 -0.852 1.00 0.00 H new ATOM 0 HG LEU A 43 10.785 -6.868 0.762 1.00 0.00 H new ATOM 0 HD11 LEU A 43 8.349 -6.868 1.133 1.00 0.00 H new ATOM 0 HD12 LEU A 43 9.097 -5.342 1.659 1.00 0.00 H new ATOM 0 HD13 LEU A 43 8.200 -5.410 0.124 1.00 0.00 H new ATOM 0 HD21 LEU A 43 9.311 -8.149 -0.743 1.00 0.00 H new ATOM 0 HD22 LEU A 43 9.201 -6.741 -1.826 1.00 0.00 H new ATOM 0 HD23 LEU A 43 10.763 -7.558 -1.586 1.00 0.00 H new ATOM 638 N SER A 44 10.791 -4.288 3.030 1.00 0.00 N ATOM 639 CA SER A 44 11.032 -4.844 4.356 1.00 0.00 C ATOM 640 C SER A 44 9.796 -5.576 4.870 1.00 0.00 C ATOM 641 O SER A 44 8.672 -5.098 4.723 1.00 0.00 O ATOM 642 CB SER A 44 11.425 -3.735 5.334 1.00 0.00 C ATOM 643 OG SER A 44 12.828 -3.538 5.344 1.00 0.00 O ATOM 0 H SER A 44 10.052 -3.586 2.995 1.00 0.00 H new ATOM 0 HA SER A 44 11.852 -5.559 4.280 1.00 0.00 H new ATOM 0 HB2 SER A 44 10.926 -2.807 5.056 1.00 0.00 H new ATOM 0 HB3 SER A 44 11.083 -3.992 6.337 1.00 0.00 H new ATOM 0 HG SER A 44 13.053 -2.823 5.975 1.00 0.00 H new ATOM 649 N MET A 45 10.014 -6.740 5.474 1.00 0.00 N ATOM 650 CA MET A 45 8.918 -7.539 6.011 1.00 0.00 C ATOM 651 C MET A 45 9.149 -7.857 7.485 1.00 0.00 C ATOM 652 O MET A 45 10.225 -8.315 7.870 1.00 0.00 O ATOM 653 CB MET A 45 8.767 -8.837 5.215 1.00 0.00 C ATOM 654 CG MET A 45 7.830 -8.713 4.024 1.00 0.00 C ATOM 655 SD MET A 45 6.095 -8.883 4.484 1.00 0.00 S ATOM 656 CE MET A 45 5.758 -10.551 3.923 1.00 0.00 C ATOM 0 H MET A 45 10.939 -7.151 5.604 1.00 0.00 H new ATOM 0 HA MET A 45 8.000 -6.958 5.922 1.00 0.00 H new ATOM 0 HB2 MET A 45 9.749 -9.154 4.863 1.00 0.00 H new ATOM 0 HB3 MET A 45 8.398 -9.619 5.878 1.00 0.00 H new ATOM 0 HG2 MET A 45 7.982 -7.745 3.546 1.00 0.00 H new ATOM 0 HG3 MET A 45 8.083 -9.475 3.287 1.00 0.00 H new ATOM 0 HE1 MET A 45 4.963 -10.531 3.178 1.00 0.00 H new ATOM 0 HE2 MET A 45 6.659 -10.975 3.480 1.00 0.00 H new ATOM 0 HE3 MET A 45 5.447 -11.164 4.769 1.00 0.00 H new ATOM 666 N ASP A 46 8.133 -7.611 8.305 1.00 0.00 N ATOM 667 CA ASP A 46 8.226 -7.871 9.737 1.00 0.00 C ATOM 668 C ASP A 46 7.117 -8.817 10.189 1.00 0.00 C ATOM 669 O ASP A 46 5.993 -8.403 10.474 1.00 0.00 O ATOM 670 CB ASP A 46 8.148 -6.561 10.521 1.00 0.00 C ATOM 671 CG ASP A 46 8.709 -6.692 11.924 1.00 0.00 C ATOM 672 OD1 ASP A 46 9.901 -7.041 12.056 1.00 0.00 O ATOM 673 OD2 ASP A 46 7.957 -6.443 12.889 1.00 0.00 O ATOM 0 H ASP A 46 7.236 -7.232 8.003 1.00 0.00 H new ATOM 0 HA ASP A 46 9.187 -8.345 9.934 1.00 0.00 H new ATOM 0 HB2 ASP A 46 8.696 -5.787 9.984 1.00 0.00 H new ATOM 0 HB3 ASP A 46 7.109 -6.236 10.577 1.00 0.00 H new ATOM 678 N PRO A 47 7.439 -10.117 10.257 1.00 0.00 N ATOM 679 CA PRO A 47 6.484 -11.148 10.674 1.00 0.00 C ATOM 680 C PRO A 47 5.742 -10.769 11.951 1.00 0.00 C ATOM 681 O PRO A 47 4.530 -10.950 12.070 1.00 0.00 O ATOM 682 CB PRO A 47 7.369 -12.374 10.914 1.00 0.00 C ATOM 683 CG PRO A 47 8.557 -12.161 10.041 1.00 0.00 C ATOM 684 CD PRO A 47 8.760 -10.681 9.932 1.00 0.00 C ATOM 0 HA PRO A 47 5.704 -11.307 9.929 1.00 0.00 H new ATOM 0 HB2 PRO A 47 7.657 -12.455 11.962 1.00 0.00 H new ATOM 0 HB3 PRO A 47 6.848 -13.295 10.655 1.00 0.00 H new ATOM 0 HG2 PRO A 47 9.439 -12.641 10.466 1.00 0.00 H new ATOM 0 HG3 PRO A 47 8.397 -12.602 9.057 1.00 0.00 H new ATOM 0 HD2 PRO A 47 9.525 -10.331 10.625 1.00 0.00 H new ATOM 0 HD3 PRO A 47 9.081 -10.395 8.931 1.00 0.00 H new ATOM 692 N PRO A 48 6.484 -10.230 12.929 1.00 0.00 N ATOM 693 CA PRO A 48 5.916 -9.812 14.215 1.00 0.00 C ATOM 694 C PRO A 48 4.656 -8.971 14.046 1.00 0.00 C ATOM 695 O PRO A 48 3.567 -9.378 14.450 1.00 0.00 O ATOM 696 CB PRO A 48 7.036 -8.979 14.843 1.00 0.00 C ATOM 697 CG PRO A 48 8.288 -9.503 14.229 1.00 0.00 C ATOM 698 CD PRO A 48 7.934 -9.985 12.856 1.00 0.00 C ATOM 0 HA PRO A 48 5.609 -10.664 14.822 1.00 0.00 H new ATOM 0 HB2 PRO A 48 6.906 -7.918 14.632 1.00 0.00 H new ATOM 0 HB3 PRO A 48 7.051 -9.089 15.927 1.00 0.00 H new ATOM 0 HG2 PRO A 48 9.049 -8.724 14.180 1.00 0.00 H new ATOM 0 HG3 PRO A 48 8.701 -10.315 14.828 1.00 0.00 H new ATOM 0 HD2 PRO A 48 8.176 -9.241 12.097 1.00 0.00 H new ATOM 0 HD3 PRO A 48 8.480 -10.892 12.598 1.00 0.00 H new ATOM 706 N ARG A 49 4.811 -7.795 13.446 1.00 0.00 N ATOM 707 CA ARG A 49 3.685 -6.895 13.224 1.00 0.00 C ATOM 708 C ARG A 49 2.843 -7.360 12.040 1.00 0.00 C ATOM 709 O ARG A 49 1.830 -6.747 11.708 1.00 0.00 O ATOM 710 CB ARG A 49 4.184 -5.470 12.982 1.00 0.00 C ATOM 711 CG ARG A 49 4.575 -4.736 14.254 1.00 0.00 C ATOM 712 CD ARG A 49 6.016 -5.027 14.644 1.00 0.00 C ATOM 713 NE ARG A 49 6.951 -4.098 14.015 1.00 0.00 N ATOM 714 CZ ARG A 49 7.127 -2.845 14.420 1.00 0.00 C ATOM 715 NH1 ARG A 49 6.436 -2.374 15.449 1.00 0.00 N ATOM 716 NH2 ARG A 49 7.997 -2.061 13.796 1.00 0.00 N ATOM 0 H ARG A 49 5.706 -7.443 13.105 1.00 0.00 H new ATOM 0 HA ARG A 49 3.061 -6.906 14.118 1.00 0.00 H new ATOM 0 HB2 ARG A 49 5.044 -5.504 12.314 1.00 0.00 H new ATOM 0 HB3 ARG A 49 3.406 -4.904 12.471 1.00 0.00 H new ATOM 0 HG2 ARG A 49 4.445 -3.663 14.111 1.00 0.00 H new ATOM 0 HG3 ARG A 49 3.910 -5.032 15.065 1.00 0.00 H new ATOM 0 HD2 ARG A 49 6.118 -4.966 15.728 1.00 0.00 H new ATOM 0 HD3 ARG A 49 6.270 -6.047 14.357 1.00 0.00 H new ATOM 0 HE ARG A 49 7.499 -4.429 13.221 1.00 0.00 H new ATOM 0 HH11 ARG A 49 5.767 -2.974 15.932 1.00 0.00 H new ATOM 0 HH12 ARG A 49 6.573 -1.412 15.758 1.00 0.00 H new ATOM 0 HH21 ARG A 49 8.531 -2.420 13.005 1.00 0.00 H new ATOM 0 HH22 ARG A 49 8.132 -1.099 14.108 1.00 0.00 H new ATOM 730 N ASN A 50 3.271 -8.447 11.406 1.00 0.00 N ATOM 731 CA ASN A 50 2.557 -8.993 10.258 1.00 0.00 C ATOM 732 C ASN A 50 2.324 -7.918 9.200 1.00 0.00 C ATOM 733 O ASN A 50 1.232 -7.808 8.642 1.00 0.00 O ATOM 734 CB ASN A 50 1.219 -9.589 10.699 1.00 0.00 C ATOM 735 CG ASN A 50 1.308 -10.275 12.049 1.00 0.00 C ATOM 736 OD1 ASN A 50 1.365 -9.619 13.088 1.00 0.00 O ATOM 737 ND2 ASN A 50 1.321 -11.603 12.037 1.00 0.00 N ATOM 0 H ASN A 50 4.109 -8.967 11.668 1.00 0.00 H new ATOM 0 HA ASN A 50 3.171 -9.780 9.821 1.00 0.00 H new ATOM 0 HB2 ASN A 50 0.470 -8.799 10.745 1.00 0.00 H new ATOM 0 HB3 ASN A 50 0.880 -10.306 9.952 1.00 0.00 H new ATOM 0 HD21 ASN A 50 1.380 -12.120 12.914 1.00 0.00 H new ATOM 0 HD22 ASN A 50 1.272 -12.106 11.151 1.00 0.00 H new ATOM 744 N CYS A 51 3.358 -7.128 8.930 1.00 0.00 N ATOM 745 CA CYS A 51 3.266 -6.062 7.940 1.00 0.00 C ATOM 746 C CYS A 51 4.587 -5.896 7.195 1.00 0.00 C ATOM 747 O CYS A 51 5.577 -6.556 7.512 1.00 0.00 O ATOM 748 CB CYS A 51 2.878 -4.744 8.613 1.00 0.00 C ATOM 749 SG CYS A 51 4.109 -4.122 9.783 1.00 0.00 S ATOM 0 H CYS A 51 4.269 -7.206 9.383 1.00 0.00 H new ATOM 0 HA CYS A 51 2.495 -6.335 7.220 1.00 0.00 H new ATOM 0 HB2 CYS A 51 2.711 -3.991 7.843 1.00 0.00 H new ATOM 0 HB3 CYS A 51 1.932 -4.880 9.136 1.00 0.00 H new ATOM 0 HG CYS A 51 5.255 -4.691 9.551 1.00 0.00 H new ATOM 755 N ALA A 52 4.594 -5.013 6.202 1.00 0.00 N ATOM 756 CA ALA A 52 5.793 -4.761 5.413 1.00 0.00 C ATOM 757 C ALA A 52 5.786 -3.347 4.841 1.00 0.00 C ATOM 758 O ALA A 52 4.784 -2.637 4.926 1.00 0.00 O ATOM 759 CB ALA A 52 5.912 -5.784 4.293 1.00 0.00 C ATOM 0 H ALA A 52 3.783 -4.460 5.925 1.00 0.00 H new ATOM 0 HA ALA A 52 6.657 -4.855 6.070 1.00 0.00 H new ATOM 0 HB1 ALA A 52 6.812 -5.584 3.712 1.00 0.00 H new ATOM 0 HB2 ALA A 52 5.971 -6.785 4.720 1.00 0.00 H new ATOM 0 HB3 ALA A 52 5.039 -5.717 3.644 1.00 0.00 H new ATOM 765 N PHE A 53 6.911 -2.944 4.258 1.00 0.00 N ATOM 766 CA PHE A 53 7.035 -1.614 3.674 1.00 0.00 C ATOM 767 C PHE A 53 7.687 -1.684 2.296 1.00 0.00 C ATOM 768 O PHE A 53 8.906 -1.808 2.179 1.00 0.00 O ATOM 769 CB PHE A 53 7.854 -0.705 4.592 1.00 0.00 C ATOM 770 CG PHE A 53 7.460 -0.801 6.038 1.00 0.00 C ATOM 771 CD1 PHE A 53 6.196 -0.412 6.453 1.00 0.00 C ATOM 772 CD2 PHE A 53 8.353 -1.281 6.983 1.00 0.00 C ATOM 773 CE1 PHE A 53 5.830 -0.499 7.783 1.00 0.00 C ATOM 774 CE2 PHE A 53 7.992 -1.371 8.314 1.00 0.00 C ATOM 775 CZ PHE A 53 6.730 -0.979 8.715 1.00 0.00 C ATOM 0 H PHE A 53 7.749 -3.520 4.178 1.00 0.00 H new ATOM 0 HA PHE A 53 6.033 -1.199 3.562 1.00 0.00 H new ATOM 0 HB2 PHE A 53 8.909 -0.959 4.494 1.00 0.00 H new ATOM 0 HB3 PHE A 53 7.742 0.328 4.261 1.00 0.00 H new ATOM 0 HD1 PHE A 53 5.489 -0.036 5.728 1.00 0.00 H new ATOM 0 HD2 PHE A 53 9.342 -1.588 6.676 1.00 0.00 H new ATOM 0 HE1 PHE A 53 4.842 -0.192 8.093 1.00 0.00 H new ATOM 0 HE2 PHE A 53 8.697 -1.748 9.040 1.00 0.00 H new ATOM 0 HZ PHE A 53 6.447 -1.047 9.755 1.00 0.00 H new ATOM 785 N VAL A 54 6.865 -1.605 1.254 1.00 0.00 N ATOM 786 CA VAL A 54 7.360 -1.659 -0.116 1.00 0.00 C ATOM 787 C VAL A 54 7.563 -0.258 -0.682 1.00 0.00 C ATOM 788 O VAL A 54 6.650 0.569 -0.669 1.00 0.00 O ATOM 789 CB VAL A 54 6.394 -2.435 -1.032 1.00 0.00 C ATOM 790 CG1 VAL A 54 6.927 -2.478 -2.456 1.00 0.00 C ATOM 791 CG2 VAL A 54 6.168 -3.841 -0.496 1.00 0.00 C ATOM 0 H VAL A 54 5.853 -1.503 1.333 1.00 0.00 H new ATOM 0 HA VAL A 54 8.318 -2.179 -0.086 1.00 0.00 H new ATOM 0 HB VAL A 54 5.436 -1.916 -1.044 1.00 0.00 H new ATOM 0 HG11 VAL A 54 6.232 -3.030 -3.088 1.00 0.00 H new ATOM 0 HG12 VAL A 54 7.034 -1.462 -2.835 1.00 0.00 H new ATOM 0 HG13 VAL A 54 7.898 -2.973 -2.466 1.00 0.00 H new ATOM 0 HG21 VAL A 54 5.483 -4.376 -1.154 1.00 0.00 H new ATOM 0 HG22 VAL A 54 7.119 -4.371 -0.454 1.00 0.00 H new ATOM 0 HG23 VAL A 54 5.739 -3.784 0.505 1.00 0.00 H new ATOM 801 N THR A 55 8.767 0.004 -1.181 1.00 0.00 N ATOM 802 CA THR A 55 9.092 1.305 -1.752 1.00 0.00 C ATOM 803 C THR A 55 9.194 1.229 -3.271 1.00 0.00 C ATOM 804 O THR A 55 9.655 0.229 -3.822 1.00 0.00 O ATOM 805 CB THR A 55 10.416 1.852 -1.186 1.00 0.00 C ATOM 806 OG1 THR A 55 10.352 1.910 0.243 1.00 0.00 O ATOM 807 CG2 THR A 55 10.711 3.237 -1.742 1.00 0.00 C ATOM 0 H THR A 55 9.534 -0.668 -1.201 1.00 0.00 H new ATOM 0 HA THR A 55 8.282 1.981 -1.479 1.00 0.00 H new ATOM 0 HB THR A 55 11.219 1.179 -1.486 1.00 0.00 H new ATOM 0 HG1 THR A 55 11.119 2.415 0.585 1.00 0.00 H new ATOM 0 HG21 THR A 55 11.651 3.603 -1.328 1.00 0.00 H new ATOM 0 HG22 THR A 55 10.789 3.184 -2.828 1.00 0.00 H new ATOM 0 HG23 THR A 55 9.905 3.918 -1.469 1.00 0.00 H new ATOM 815 N TYR A 56 8.763 2.291 -3.942 1.00 0.00 N ATOM 816 CA TYR A 56 8.805 2.343 -5.399 1.00 0.00 C ATOM 817 C TYR A 56 9.792 3.403 -5.878 1.00 0.00 C ATOM 818 O TYR A 56 9.909 4.472 -5.280 1.00 0.00 O ATOM 819 CB TYR A 56 7.412 2.636 -5.960 1.00 0.00 C ATOM 820 CG TYR A 56 6.506 1.427 -5.992 1.00 0.00 C ATOM 821 CD1 TYR A 56 6.938 0.225 -6.540 1.00 0.00 C ATOM 822 CD2 TYR A 56 5.217 1.485 -5.476 1.00 0.00 C ATOM 823 CE1 TYR A 56 6.113 -0.883 -6.573 1.00 0.00 C ATOM 824 CE2 TYR A 56 4.386 0.382 -5.503 1.00 0.00 C ATOM 825 CZ TYR A 56 4.838 -0.799 -6.052 1.00 0.00 C ATOM 826 OH TYR A 56 4.013 -1.900 -6.082 1.00 0.00 O ATOM 0 H TYR A 56 8.381 3.127 -3.501 1.00 0.00 H new ATOM 0 HA TYR A 56 9.139 1.371 -5.763 1.00 0.00 H new ATOM 0 HB2 TYR A 56 6.944 3.415 -5.358 1.00 0.00 H new ATOM 0 HB3 TYR A 56 7.512 3.031 -6.971 1.00 0.00 H new ATOM 0 HD1 TYR A 56 7.936 0.156 -6.947 1.00 0.00 H new ATOM 0 HD2 TYR A 56 4.859 2.409 -5.046 1.00 0.00 H new ATOM 0 HE1 TYR A 56 6.464 -1.809 -7.004 1.00 0.00 H new ATOM 0 HE2 TYR A 56 3.387 0.444 -5.096 1.00 0.00 H new ATOM 0 HH TYR A 56 4.295 -2.501 -6.803 1.00 0.00 H new ATOM 836 N GLU A 57 10.499 3.098 -6.961 1.00 0.00 N ATOM 837 CA GLU A 57 11.476 4.024 -7.521 1.00 0.00 C ATOM 838 C GLU A 57 10.835 5.377 -7.819 1.00 0.00 C ATOM 839 O GLU A 57 11.521 6.394 -7.918 1.00 0.00 O ATOM 840 CB GLU A 57 12.088 3.445 -8.798 1.00 0.00 C ATOM 841 CG GLU A 57 13.002 4.414 -9.529 1.00 0.00 C ATOM 842 CD GLU A 57 13.611 3.810 -10.780 1.00 0.00 C ATOM 843 OE1 GLU A 57 13.003 2.876 -11.343 1.00 0.00 O ATOM 844 OE2 GLU A 57 14.694 4.272 -11.195 1.00 0.00 O ATOM 0 H GLU A 57 10.414 2.217 -7.468 1.00 0.00 H new ATOM 0 HA GLU A 57 12.265 4.169 -6.783 1.00 0.00 H new ATOM 0 HB2 GLU A 57 12.652 2.547 -8.546 1.00 0.00 H new ATOM 0 HB3 GLU A 57 11.285 3.139 -9.469 1.00 0.00 H new ATOM 0 HG2 GLU A 57 12.438 5.307 -9.799 1.00 0.00 H new ATOM 0 HG3 GLU A 57 13.800 4.732 -8.858 1.00 0.00 H new ATOM 851 N LYS A 58 9.514 5.380 -7.962 1.00 0.00 N ATOM 852 CA LYS A 58 8.778 6.606 -8.248 1.00 0.00 C ATOM 853 C LYS A 58 7.578 6.750 -7.317 1.00 0.00 C ATOM 854 O LYS A 58 7.026 5.758 -6.843 1.00 0.00 O ATOM 855 CB LYS A 58 8.310 6.616 -9.705 1.00 0.00 C ATOM 856 CG LYS A 58 9.431 6.392 -10.706 1.00 0.00 C ATOM 857 CD LYS A 58 8.892 6.194 -12.112 1.00 0.00 C ATOM 858 CE LYS A 58 8.597 4.729 -12.394 1.00 0.00 C ATOM 859 NZ LYS A 58 7.456 4.226 -11.579 1.00 0.00 N ATOM 0 H LYS A 58 8.931 4.547 -7.884 1.00 0.00 H new ATOM 0 HA LYS A 58 9.448 7.450 -8.082 1.00 0.00 H new ATOM 0 HB2 LYS A 58 7.554 5.843 -9.840 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.830 7.572 -9.917 1.00 0.00 H new ATOM 0 HG2 LYS A 58 10.108 7.246 -10.692 1.00 0.00 H new ATOM 0 HG3 LYS A 58 10.013 5.519 -10.412 1.00 0.00 H new ATOM 0 HD2 LYS A 58 7.982 6.781 -12.240 1.00 0.00 H new ATOM 0 HD3 LYS A 58 9.616 6.566 -12.836 1.00 0.00 H new ATOM 0 HE2 LYS A 58 8.371 4.601 -13.453 1.00 0.00 H new ATOM 0 HE3 LYS A 58 9.485 4.133 -12.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 7.025 3.407 -12.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 7.799 3.941 -10.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 6.746 4.979 -11.474 1.00 0.00 H new ATOM 873 N MET A 59 7.180 7.992 -7.061 1.00 0.00 N ATOM 874 CA MET A 59 6.043 8.265 -6.189 1.00 0.00 C ATOM 875 C MET A 59 4.729 7.926 -6.886 1.00 0.00 C ATOM 876 O MET A 59 3.718 7.671 -6.232 1.00 0.00 O ATOM 877 CB MET A 59 6.043 9.733 -5.761 1.00 0.00 C ATOM 878 CG MET A 59 5.850 10.703 -6.916 1.00 0.00 C ATOM 879 SD MET A 59 7.410 11.219 -7.658 1.00 0.00 S ATOM 880 CE MET A 59 8.125 12.167 -6.317 1.00 0.00 C ATOM 0 H MET A 59 7.627 8.825 -7.444 1.00 0.00 H new ATOM 0 HA MET A 59 6.137 7.636 -5.304 1.00 0.00 H new ATOM 0 HB2 MET A 59 5.250 9.890 -5.029 1.00 0.00 H new ATOM 0 HB3 MET A 59 6.986 9.958 -5.262 1.00 0.00 H new ATOM 0 HG2 MET A 59 5.227 10.235 -7.678 1.00 0.00 H new ATOM 0 HG3 MET A 59 5.313 11.582 -6.561 1.00 0.00 H new ATOM 0 HE1 MET A 59 8.658 13.027 -6.723 1.00 0.00 H new ATOM 0 HE2 MET A 59 7.333 12.512 -5.653 1.00 0.00 H new ATOM 0 HE3 MET A 59 8.820 11.540 -5.758 1.00 0.00 H new ATOM 890 N GLU A 60 4.752 7.924 -8.215 1.00 0.00 N ATOM 891 CA GLU A 60 3.562 7.618 -8.999 1.00 0.00 C ATOM 892 C GLU A 60 3.031 6.227 -8.661 1.00 0.00 C ATOM 893 O GLU A 60 1.824 6.027 -8.530 1.00 0.00 O ATOM 894 CB GLU A 60 3.871 7.707 -10.494 1.00 0.00 C ATOM 895 CG GLU A 60 4.961 6.751 -10.949 1.00 0.00 C ATOM 896 CD GLU A 60 5.289 6.898 -12.422 1.00 0.00 C ATOM 897 OE1 GLU A 60 6.097 7.787 -12.764 1.00 0.00 O ATOM 898 OE2 GLU A 60 4.738 6.125 -13.233 1.00 0.00 O ATOM 0 H GLU A 60 5.582 8.131 -8.771 1.00 0.00 H new ATOM 0 HA GLU A 60 2.796 8.352 -8.750 1.00 0.00 H new ATOM 0 HB2 GLU A 60 2.961 7.501 -11.057 1.00 0.00 H new ATOM 0 HB3 GLU A 60 4.171 8.727 -10.734 1.00 0.00 H new ATOM 0 HG2 GLU A 60 5.862 6.927 -10.361 1.00 0.00 H new ATOM 0 HG3 GLU A 60 4.646 5.726 -10.751 1.00 0.00 H new ATOM 905 N SER A 61 3.943 5.270 -8.521 1.00 0.00 N ATOM 906 CA SER A 61 3.568 3.898 -8.203 1.00 0.00 C ATOM 907 C SER A 61 2.930 3.815 -6.819 1.00 0.00 C ATOM 908 O SER A 61 2.027 3.012 -6.586 1.00 0.00 O ATOM 909 CB SER A 61 4.793 2.984 -8.268 1.00 0.00 C ATOM 910 OG SER A 61 5.169 2.729 -9.610 1.00 0.00 O ATOM 0 H SER A 61 4.947 5.420 -8.623 1.00 0.00 H new ATOM 0 HA SER A 61 2.837 3.567 -8.941 1.00 0.00 H new ATOM 0 HB2 SER A 61 5.624 3.447 -7.736 1.00 0.00 H new ATOM 0 HB3 SER A 61 4.575 2.043 -7.763 1.00 0.00 H new ATOM 0 HG SER A 61 4.813 1.860 -9.890 1.00 0.00 H new ATOM 916 N ALA A 62 3.408 4.653 -5.904 1.00 0.00 N ATOM 917 CA ALA A 62 2.884 4.677 -4.544 1.00 0.00 C ATOM 918 C ALA A 62 1.361 4.743 -4.543 1.00 0.00 C ATOM 919 O ALA A 62 0.692 3.861 -4.004 1.00 0.00 O ATOM 920 CB ALA A 62 3.466 5.855 -3.776 1.00 0.00 C ATOM 0 H ALA A 62 4.156 5.323 -6.080 1.00 0.00 H new ATOM 0 HA ALA A 62 3.181 3.752 -4.050 1.00 0.00 H new ATOM 0 HB1 ALA A 62 3.066 5.861 -2.762 1.00 0.00 H new ATOM 0 HB2 ALA A 62 4.552 5.764 -3.738 1.00 0.00 H new ATOM 0 HB3 ALA A 62 3.197 6.785 -4.278 1.00 0.00 H new ATOM 926 N ASP A 63 0.819 5.794 -5.149 1.00 0.00 N ATOM 927 CA ASP A 63 -0.627 5.975 -5.218 1.00 0.00 C ATOM 928 C ASP A 63 -1.275 4.860 -6.033 1.00 0.00 C ATOM 929 O ASP A 63 -2.388 4.428 -5.734 1.00 0.00 O ATOM 930 CB ASP A 63 -0.963 7.334 -5.833 1.00 0.00 C ATOM 931 CG ASP A 63 -2.457 7.564 -5.948 1.00 0.00 C ATOM 932 OD1 ASP A 63 -3.117 7.719 -4.899 1.00 0.00 O ATOM 933 OD2 ASP A 63 -2.967 7.589 -7.088 1.00 0.00 O ATOM 0 H ASP A 63 1.359 6.533 -5.599 1.00 0.00 H new ATOM 0 HA ASP A 63 -1.023 5.936 -4.203 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -0.523 8.124 -5.224 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -0.510 7.404 -6.822 1.00 0.00 H new ATOM 938 N GLN A 64 -0.572 4.400 -7.063 1.00 0.00 N ATOM 939 CA GLN A 64 -1.081 3.337 -7.921 1.00 0.00 C ATOM 940 C GLN A 64 -1.329 2.063 -7.121 1.00 0.00 C ATOM 941 O GLN A 64 -2.472 1.648 -6.935 1.00 0.00 O ATOM 942 CB GLN A 64 -0.097 3.056 -9.058 1.00 0.00 C ATOM 943 CG GLN A 64 -0.182 4.057 -10.199 1.00 0.00 C ATOM 944 CD GLN A 64 0.217 3.458 -11.533 1.00 0.00 C ATOM 945 OE1 GLN A 64 1.138 2.645 -11.610 1.00 0.00 O ATOM 946 NE2 GLN A 64 -0.477 3.858 -12.592 1.00 0.00 N ATOM 0 H GLN A 64 0.351 4.747 -7.323 1.00 0.00 H new ATOM 0 HA GLN A 64 -2.029 3.669 -8.344 1.00 0.00 H new ATOM 0 HB2 GLN A 64 0.917 3.059 -8.658 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -0.283 2.056 -9.449 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -1.201 4.439 -10.267 1.00 0.00 H new ATOM 0 HG3 GLN A 64 0.463 4.908 -9.980 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -1.233 4.534 -12.481 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -0.255 3.489 -13.517 1.00 0.00 H new ATOM 955 N ALA A 65 -0.250 1.447 -6.649 1.00 0.00 N ATOM 956 CA ALA A 65 -0.351 0.221 -5.867 1.00 0.00 C ATOM 957 C ALA A 65 -1.397 0.356 -4.766 1.00 0.00 C ATOM 958 O ALA A 65 -2.320 -0.452 -4.670 1.00 0.00 O ATOM 959 CB ALA A 65 1.003 -0.138 -5.271 1.00 0.00 C ATOM 0 H ALA A 65 0.704 1.777 -6.795 1.00 0.00 H new ATOM 0 HA ALA A 65 -0.666 -0.581 -6.534 1.00 0.00 H new ATOM 0 HB1 ALA A 65 0.913 -1.056 -4.690 1.00 0.00 H new ATOM 0 HB2 ALA A 65 1.726 -0.286 -6.073 1.00 0.00 H new ATOM 0 HB3 ALA A 65 1.341 0.670 -4.623 1.00 0.00 H new ATOM 965 N VAL A 66 -1.246 1.384 -3.936 1.00 0.00 N ATOM 966 CA VAL A 66 -2.178 1.625 -2.841 1.00 0.00 C ATOM 967 C VAL A 66 -3.612 1.716 -3.350 1.00 0.00 C ATOM 968 O VAL A 66 -4.563 1.629 -2.575 1.00 0.00 O ATOM 969 CB VAL A 66 -1.831 2.921 -2.084 1.00 0.00 C ATOM 970 CG1 VAL A 66 -3.044 3.439 -1.327 1.00 0.00 C ATOM 971 CG2 VAL A 66 -0.661 2.689 -1.139 1.00 0.00 C ATOM 0 H VAL A 66 -0.487 2.063 -4.001 1.00 0.00 H new ATOM 0 HA VAL A 66 -2.090 0.779 -2.159 1.00 0.00 H new ATOM 0 HB VAL A 66 -1.537 3.678 -2.811 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -2.779 4.355 -0.799 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -3.851 3.646 -2.030 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -3.373 2.688 -0.609 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -0.429 3.615 -0.613 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -0.925 1.917 -0.416 1.00 0.00 H new ATOM 0 HG23 VAL A 66 0.210 2.369 -1.710 1.00 0.00 H new ATOM 981 N ALA A 67 -3.759 1.891 -4.659 1.00 0.00 N ATOM 982 CA ALA A 67 -5.077 1.991 -5.273 1.00 0.00 C ATOM 983 C ALA A 67 -5.585 0.621 -5.710 1.00 0.00 C ATOM 984 O ALA A 67 -6.780 0.337 -5.629 1.00 0.00 O ATOM 985 CB ALA A 67 -5.037 2.943 -6.459 1.00 0.00 C ATOM 0 H ALA A 67 -2.981 1.966 -5.315 1.00 0.00 H new ATOM 0 HA ALA A 67 -5.768 2.385 -4.528 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -6.028 3.008 -6.907 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -4.726 3.932 -6.122 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -4.328 2.573 -7.199 1.00 0.00 H new ATOM 991 N GLU A 68 -4.669 -0.225 -6.173 1.00 0.00 N ATOM 992 CA GLU A 68 -5.026 -1.565 -6.624 1.00 0.00 C ATOM 993 C GLU A 68 -4.765 -2.595 -5.529 1.00 0.00 C ATOM 994 O GLU A 68 -5.676 -3.298 -5.092 1.00 0.00 O ATOM 995 CB GLU A 68 -4.237 -1.931 -7.882 1.00 0.00 C ATOM 996 CG GLU A 68 -4.381 -0.919 -9.007 1.00 0.00 C ATOM 997 CD GLU A 68 -4.226 -1.546 -10.379 1.00 0.00 C ATOM 998 OE1 GLU A 68 -5.075 -2.384 -10.747 1.00 0.00 O ATOM 999 OE2 GLU A 68 -3.256 -1.199 -11.084 1.00 0.00 O ATOM 0 H GLU A 68 -3.675 -0.006 -6.245 1.00 0.00 H new ATOM 0 HA GLU A 68 -6.091 -1.570 -6.858 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -3.182 -2.027 -7.624 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -4.568 -2.907 -8.238 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -5.358 -0.441 -8.938 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -3.634 -0.135 -8.883 1.00 0.00 H new ATOM 1006 N LEU A 69 -3.513 -2.678 -5.090 1.00 0.00 N ATOM 1007 CA LEU A 69 -3.130 -3.622 -4.046 1.00 0.00 C ATOM 1008 C LEU A 69 -3.996 -3.441 -2.803 1.00 0.00 C ATOM 1009 O LEU A 69 -4.142 -4.359 -1.997 1.00 0.00 O ATOM 1010 CB LEU A 69 -1.655 -3.441 -3.684 1.00 0.00 C ATOM 1011 CG LEU A 69 -0.644 -3.957 -4.709 1.00 0.00 C ATOM 1012 CD1 LEU A 69 0.715 -4.167 -4.059 1.00 0.00 C ATOM 1013 CD2 LEU A 69 -1.140 -5.249 -5.343 1.00 0.00 C ATOM 0 H LEU A 69 -2.747 -2.103 -5.441 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.283 -4.631 -4.429 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.469 -2.379 -3.523 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.470 -3.945 -2.735 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.536 -3.208 -5.494 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.421 -4.534 -4.803 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.074 -3.221 -3.653 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.624 -4.896 -3.254 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.408 -5.602 -6.070 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.277 -6.005 -4.570 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.091 -5.067 -5.844 1.00 0.00 H new ATOM 1025 N ASN A 70 -4.571 -2.252 -2.657 1.00 0.00 N ATOM 1026 CA ASN A 70 -5.425 -1.951 -1.513 1.00 0.00 C ATOM 1027 C ASN A 70 -6.609 -2.911 -1.451 1.00 0.00 C ATOM 1028 O ASN A 70 -7.475 -2.902 -2.325 1.00 0.00 O ATOM 1029 CB ASN A 70 -5.927 -0.508 -1.591 1.00 0.00 C ATOM 1030 CG ASN A 70 -7.282 -0.331 -0.934 1.00 0.00 C ATOM 1031 OD1 ASN A 70 -8.321 -0.506 -1.572 1.00 0.00 O ATOM 1032 ND2 ASN A 70 -7.278 0.017 0.347 1.00 0.00 N ATOM 0 H ASN A 70 -4.461 -1.481 -3.316 1.00 0.00 H new ATOM 0 HA ASN A 70 -4.833 -2.074 -0.606 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -5.204 0.152 -1.111 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -5.990 -0.204 -2.636 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -8.160 0.150 0.842 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -6.393 0.151 0.836 1.00 0.00 H new ATOM 1039 N GLY A 71 -6.640 -3.738 -0.411 1.00 0.00 N ATOM 1040 CA GLY A 71 -7.722 -4.692 -0.253 1.00 0.00 C ATOM 1041 C GLY A 71 -7.731 -5.744 -1.344 1.00 0.00 C ATOM 1042 O GLY A 71 -8.720 -6.454 -1.525 1.00 0.00 O ATOM 0 H GLY A 71 -5.935 -3.764 0.325 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -7.633 -5.180 0.717 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -8.674 -4.161 -0.257 1.00 0.00 H new ATOM 1046 N THR A 72 -6.626 -5.845 -2.076 1.00 0.00 N ATOM 1047 CA THR A 72 -6.511 -6.815 -3.158 1.00 0.00 C ATOM 1048 C THR A 72 -6.254 -8.216 -2.614 1.00 0.00 C ATOM 1049 O THR A 72 -5.828 -8.379 -1.471 1.00 0.00 O ATOM 1050 CB THR A 72 -5.378 -6.440 -4.132 1.00 0.00 C ATOM 1051 OG1 THR A 72 -5.627 -7.017 -5.418 1.00 0.00 O ATOM 1052 CG2 THR A 72 -4.033 -6.918 -3.608 1.00 0.00 C ATOM 0 H THR A 72 -5.797 -5.266 -1.939 1.00 0.00 H new ATOM 0 HA THR A 72 -7.460 -6.804 -3.695 1.00 0.00 H new ATOM 0 HB THR A 72 -5.350 -5.354 -4.221 1.00 0.00 H new ATOM 0 HG1 THR A 72 -4.903 -6.773 -6.032 1.00 0.00 H new ATOM 0 HG21 THR A 72 -3.249 -6.642 -4.313 1.00 0.00 H new ATOM 0 HG22 THR A 72 -3.833 -6.454 -2.642 1.00 0.00 H new ATOM 0 HG23 THR A 72 -4.052 -8.002 -3.493 1.00 0.00 H new ATOM 1060 N GLN A 73 -6.516 -9.223 -3.440 1.00 0.00 N ATOM 1061 CA GLN A 73 -6.313 -10.611 -3.041 1.00 0.00 C ATOM 1062 C GLN A 73 -5.390 -11.330 -4.020 1.00 0.00 C ATOM 1063 O GLN A 73 -5.835 -11.837 -5.049 1.00 0.00 O ATOM 1064 CB GLN A 73 -7.655 -11.341 -2.956 1.00 0.00 C ATOM 1065 CG GLN A 73 -7.532 -12.791 -2.516 1.00 0.00 C ATOM 1066 CD GLN A 73 -8.851 -13.535 -2.584 1.00 0.00 C ATOM 1067 OE1 GLN A 73 -9.735 -13.185 -3.366 1.00 0.00 O ATOM 1068 NE2 GLN A 73 -8.990 -14.569 -1.763 1.00 0.00 N ATOM 0 H GLN A 73 -6.869 -9.104 -4.389 1.00 0.00 H new ATOM 0 HA GLN A 73 -5.843 -10.615 -2.058 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -8.303 -10.812 -2.258 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -8.141 -11.306 -3.931 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -6.801 -13.297 -3.146 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -7.152 -12.826 -1.495 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -8.231 -14.824 -1.131 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -9.856 -15.108 -1.764 1.00 0.00 H new ATOM 1077 N VAL A 74 -4.103 -11.369 -3.691 1.00 0.00 N ATOM 1078 CA VAL A 74 -3.117 -12.026 -4.541 1.00 0.00 C ATOM 1079 C VAL A 74 -2.553 -13.272 -3.866 1.00 0.00 C ATOM 1080 O VAL A 74 -2.328 -13.286 -2.657 1.00 0.00 O ATOM 1081 CB VAL A 74 -1.957 -11.076 -4.893 1.00 0.00 C ATOM 1082 CG1 VAL A 74 -2.489 -9.707 -5.287 1.00 0.00 C ATOM 1083 CG2 VAL A 74 -0.987 -10.965 -3.726 1.00 0.00 C ATOM 0 H VAL A 74 -3.719 -10.954 -2.842 1.00 0.00 H new ATOM 0 HA VAL A 74 -3.631 -12.314 -5.458 1.00 0.00 H new ATOM 0 HB VAL A 74 -1.418 -11.489 -5.746 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -1.655 -9.049 -5.532 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -3.141 -9.806 -6.155 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -3.053 -9.283 -4.456 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -0.174 -10.290 -3.992 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -1.511 -10.576 -2.853 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -0.581 -11.950 -3.496 1.00 0.00 H new ATOM 1093 N GLU A 75 -2.326 -14.316 -4.658 1.00 0.00 N ATOM 1094 CA GLU A 75 -1.788 -15.566 -4.135 1.00 0.00 C ATOM 1095 C GLU A 75 -2.652 -16.095 -2.994 1.00 0.00 C ATOM 1096 O GLU A 75 -2.151 -16.729 -2.065 1.00 0.00 O ATOM 1097 CB GLU A 75 -0.351 -15.367 -3.652 1.00 0.00 C ATOM 1098 CG GLU A 75 0.618 -14.994 -4.762 1.00 0.00 C ATOM 1099 CD GLU A 75 0.881 -16.143 -5.717 1.00 0.00 C ATOM 1100 OE1 GLU A 75 -0.092 -16.661 -6.303 1.00 0.00 O ATOM 1101 OE2 GLU A 75 2.059 -16.523 -5.877 1.00 0.00 O ATOM 0 H GLU A 75 -2.506 -14.321 -5.662 1.00 0.00 H new ATOM 0 HA GLU A 75 -1.793 -16.299 -4.942 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -0.337 -14.586 -2.891 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -0.007 -16.284 -3.174 1.00 0.00 H new ATOM 0 HG2 GLU A 75 0.218 -14.147 -5.320 1.00 0.00 H new ATOM 0 HG3 GLU A 75 1.561 -14.669 -4.322 1.00 0.00 H new ATOM 1108 N SER A 76 -3.952 -15.830 -3.070 1.00 0.00 N ATOM 1109 CA SER A 76 -4.885 -16.274 -2.042 1.00 0.00 C ATOM 1110 C SER A 76 -4.583 -15.601 -0.707 1.00 0.00 C ATOM 1111 O SER A 76 -4.822 -16.171 0.358 1.00 0.00 O ATOM 1112 CB SER A 76 -4.818 -17.795 -1.886 1.00 0.00 C ATOM 1113 OG SER A 76 -5.140 -18.447 -3.102 1.00 0.00 O ATOM 0 H SER A 76 -4.383 -15.309 -3.834 1.00 0.00 H new ATOM 0 HA SER A 76 -5.891 -15.991 -2.352 1.00 0.00 H new ATOM 0 HB2 SER A 76 -3.818 -18.087 -1.567 1.00 0.00 H new ATOM 0 HB3 SER A 76 -5.508 -18.114 -1.105 1.00 0.00 H new ATOM 0 HG SER A 76 -5.088 -19.418 -2.976 1.00 0.00 H new ATOM 1119 N VAL A 77 -4.055 -14.382 -0.771 1.00 0.00 N ATOM 1120 CA VAL A 77 -3.721 -13.629 0.431 1.00 0.00 C ATOM 1121 C VAL A 77 -4.140 -12.169 0.300 1.00 0.00 C ATOM 1122 O VAL A 77 -3.573 -11.421 -0.496 1.00 0.00 O ATOM 1123 CB VAL A 77 -2.212 -13.694 0.733 1.00 0.00 C ATOM 1124 CG1 VAL A 77 -1.868 -12.821 1.930 1.00 0.00 C ATOM 1125 CG2 VAL A 77 -1.778 -15.133 0.969 1.00 0.00 C ATOM 0 H VAL A 77 -3.850 -13.895 -1.644 1.00 0.00 H new ATOM 0 HA VAL A 77 -4.269 -14.088 1.254 1.00 0.00 H new ATOM 0 HB VAL A 77 -1.669 -13.312 -0.132 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -0.798 -12.880 2.128 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -2.141 -11.788 1.717 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -2.418 -13.169 2.804 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -0.709 -15.161 1.181 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -2.327 -15.544 1.816 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -1.987 -15.727 0.079 1.00 0.00 H new ATOM 1135 N GLN A 78 -5.135 -11.771 1.086 1.00 0.00 N ATOM 1136 CA GLN A 78 -5.629 -10.400 1.056 1.00 0.00 C ATOM 1137 C GLN A 78 -4.583 -9.432 1.599 1.00 0.00 C ATOM 1138 O GLN A 78 -4.292 -9.423 2.796 1.00 0.00 O ATOM 1139 CB GLN A 78 -6.919 -10.283 1.870 1.00 0.00 C ATOM 1140 CG GLN A 78 -8.178 -10.531 1.053 1.00 0.00 C ATOM 1141 CD GLN A 78 -9.309 -11.105 1.884 1.00 0.00 C ATOM 1142 OE1 GLN A 78 -9.105 -12.018 2.684 1.00 0.00 O ATOM 1143 NE2 GLN A 78 -10.510 -10.571 1.697 1.00 0.00 N ATOM 0 H GLN A 78 -5.614 -12.378 1.751 1.00 0.00 H new ATOM 0 HA GLN A 78 -5.836 -10.138 0.018 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -6.885 -10.995 2.694 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -6.972 -9.287 2.311 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -8.504 -9.594 0.601 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -7.948 -11.216 0.237 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -10.633 -9.815 1.023 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -11.310 -10.916 2.227 1.00 0.00 H new ATOM 1152 N LEU A 79 -4.020 -8.619 0.712 1.00 0.00 N ATOM 1153 CA LEU A 79 -3.004 -7.647 1.102 1.00 0.00 C ATOM 1154 C LEU A 79 -3.609 -6.253 1.236 1.00 0.00 C ATOM 1155 O LEU A 79 -4.459 -5.854 0.439 1.00 0.00 O ATOM 1156 CB LEU A 79 -1.869 -7.627 0.077 1.00 0.00 C ATOM 1157 CG LEU A 79 -0.939 -8.841 0.082 1.00 0.00 C ATOM 1158 CD1 LEU A 79 0.185 -8.656 -0.926 1.00 0.00 C ATOM 1159 CD2 LEU A 79 -0.375 -9.075 1.476 1.00 0.00 C ATOM 0 H LEU A 79 -4.250 -8.613 -0.282 1.00 0.00 H new ATOM 0 HA LEU A 79 -2.604 -7.944 2.071 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -2.306 -7.533 -0.917 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -1.268 -6.733 0.247 1.00 0.00 H new ATOM 0 HG LEU A 79 -1.517 -9.719 -0.206 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.837 -9.529 -0.909 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -0.237 -8.538 -1.924 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.762 -7.768 -0.669 1.00 0.00 H new ATOM 0 HD21 LEU A 79 0.284 -9.943 1.461 1.00 0.00 H new ATOM 0 HD22 LEU A 79 0.188 -8.197 1.793 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -1.193 -9.253 2.174 1.00 0.00 H new ATOM 1171 N LYS A 80 -3.163 -5.515 2.246 1.00 0.00 N ATOM 1172 CA LYS A 80 -3.656 -4.163 2.484 1.00 0.00 C ATOM 1173 C LYS A 80 -2.514 -3.152 2.442 1.00 0.00 C ATOM 1174 O LYS A 80 -1.706 -3.075 3.367 1.00 0.00 O ATOM 1175 CB LYS A 80 -4.368 -4.088 3.836 1.00 0.00 C ATOM 1176 CG LYS A 80 -5.448 -3.022 3.896 1.00 0.00 C ATOM 1177 CD LYS A 80 -5.881 -2.747 5.326 1.00 0.00 C ATOM 1178 CE LYS A 80 -4.837 -1.938 6.080 1.00 0.00 C ATOM 1179 NZ LYS A 80 -5.312 -1.544 7.435 1.00 0.00 N ATOM 0 H LYS A 80 -2.460 -5.830 2.914 1.00 0.00 H new ATOM 0 HA LYS A 80 -4.365 -3.917 1.693 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -4.814 -5.058 4.057 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -3.631 -3.891 4.615 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -5.078 -2.102 3.444 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -6.309 -3.342 3.309 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -6.828 -2.207 5.323 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -6.054 -3.691 5.843 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -3.922 -2.523 6.172 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -4.588 -1.044 5.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -4.572 -0.994 7.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -6.171 -0.965 7.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -5.525 -2.397 7.990 1.00 0.00 H new ATOM 1193 N VAL A 81 -2.455 -2.378 1.363 1.00 0.00 N ATOM 1194 CA VAL A 81 -1.414 -1.370 1.202 1.00 0.00 C ATOM 1195 C VAL A 81 -1.975 0.035 1.390 1.00 0.00 C ATOM 1196 O VAL A 81 -3.061 0.351 0.904 1.00 0.00 O ATOM 1197 CB VAL A 81 -0.751 -1.464 -0.185 1.00 0.00 C ATOM 1198 CG1 VAL A 81 0.539 -0.658 -0.217 1.00 0.00 C ATOM 1199 CG2 VAL A 81 -0.490 -2.917 -0.553 1.00 0.00 C ATOM 0 H VAL A 81 -3.116 -2.430 0.588 1.00 0.00 H new ATOM 0 HA VAL A 81 -0.664 -1.565 1.969 1.00 0.00 H new ATOM 0 HB VAL A 81 -1.433 -1.042 -0.923 1.00 0.00 H new ATOM 0 HG11 VAL A 81 0.993 -0.737 -1.205 1.00 0.00 H new ATOM 0 HG12 VAL A 81 0.320 0.388 -0.000 1.00 0.00 H new ATOM 0 HG13 VAL A 81 1.230 -1.047 0.531 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -0.021 -2.965 -1.536 1.00 0.00 H new ATOM 0 HG22 VAL A 81 0.172 -3.366 0.187 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -1.434 -3.462 -0.574 1.00 0.00 H new ATOM 1209 N ASN A 82 -1.228 0.875 2.098 1.00 0.00 N ATOM 1210 CA ASN A 82 -1.652 2.248 2.351 1.00 0.00 C ATOM 1211 C ASN A 82 -0.467 3.206 2.269 1.00 0.00 C ATOM 1212 O ASN A 82 0.682 2.807 2.460 1.00 0.00 O ATOM 1213 CB ASN A 82 -2.313 2.354 3.726 1.00 0.00 C ATOM 1214 CG ASN A 82 -3.527 1.455 3.855 1.00 0.00 C ATOM 1215 OD1 ASN A 82 -3.400 0.244 4.036 1.00 0.00 O ATOM 1216 ND2 ASN A 82 -4.713 2.045 3.762 1.00 0.00 N ATOM 0 H ASN A 82 -0.326 0.630 2.507 1.00 0.00 H new ATOM 0 HA ASN A 82 -2.376 2.526 1.585 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -1.587 2.092 4.496 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -2.609 3.388 3.905 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -5.566 1.491 3.841 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -4.771 3.052 3.612 1.00 0.00 H new ATOM 1223 N ILE A 83 -0.756 4.471 1.983 1.00 0.00 N ATOM 1224 CA ILE A 83 0.284 5.487 1.877 1.00 0.00 C ATOM 1225 C ILE A 83 0.898 5.789 3.240 1.00 0.00 C ATOM 1226 O ILE A 83 0.376 6.605 3.999 1.00 0.00 O ATOM 1227 CB ILE A 83 -0.263 6.793 1.271 1.00 0.00 C ATOM 1228 CG1 ILE A 83 -1.087 6.493 0.017 1.00 0.00 C ATOM 1229 CG2 ILE A 83 0.878 7.745 0.948 1.00 0.00 C ATOM 1230 CD1 ILE A 83 -0.264 5.954 -1.132 1.00 0.00 C ATOM 0 H ILE A 83 -1.702 4.817 1.821 1.00 0.00 H new ATOM 0 HA ILE A 83 1.052 5.085 1.216 1.00 0.00 H new ATOM 0 HB ILE A 83 -0.913 7.272 2.003 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -1.864 5.771 0.267 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -1.591 7.405 -0.304 1.00 0.00 H new ATOM 0 HG21 ILE A 83 0.476 8.663 0.520 1.00 0.00 H new ATOM 0 HG22 ILE A 83 1.426 7.979 1.861 1.00 0.00 H new ATOM 0 HG23 ILE A 83 1.552 7.276 0.231 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -0.913 5.764 -1.987 1.00 0.00 H new ATOM 0 HD12 ILE A 83 0.496 6.684 -1.409 1.00 0.00 H new ATOM 0 HD13 ILE A 83 0.219 5.025 -0.829 1.00 0.00 H new ATOM 1242 N ALA A 84 2.010 5.128 3.541 1.00 0.00 N ATOM 1243 CA ALA A 84 2.698 5.329 4.811 1.00 0.00 C ATOM 1244 C ALA A 84 2.695 6.801 5.210 1.00 0.00 C ATOM 1245 O ALA A 84 3.478 7.596 4.691 1.00 0.00 O ATOM 1246 CB ALA A 84 4.124 4.806 4.727 1.00 0.00 C ATOM 0 H ALA A 84 2.454 4.449 2.923 1.00 0.00 H new ATOM 0 HA ALA A 84 2.162 4.770 5.579 1.00 0.00 H new ATOM 0 HB1 ALA A 84 4.626 4.963 5.682 1.00 0.00 H new ATOM 0 HB2 ALA A 84 4.108 3.741 4.496 1.00 0.00 H new ATOM 0 HB3 ALA A 84 4.662 5.339 3.943 1.00 0.00 H new ATOM 1252 N ARG A 85 1.808 7.156 6.134 1.00 0.00 N ATOM 1253 CA ARG A 85 1.702 8.533 6.601 1.00 0.00 C ATOM 1254 C ARG A 85 2.976 8.963 7.323 1.00 0.00 C ATOM 1255 O ARG A 85 3.141 10.131 7.673 1.00 0.00 O ATOM 1256 CB ARG A 85 0.498 8.687 7.533 1.00 0.00 C ATOM 1257 CG ARG A 85 0.801 8.337 8.981 1.00 0.00 C ATOM 1258 CD ARG A 85 -0.473 8.058 9.764 1.00 0.00 C ATOM 1259 NE ARG A 85 -1.520 9.032 9.471 1.00 0.00 N ATOM 1260 CZ ARG A 85 -2.815 8.797 9.654 1.00 0.00 C ATOM 1261 NH1 ARG A 85 -3.219 7.626 10.125 1.00 0.00 N ATOM 1262 NH2 ARG A 85 -3.708 9.734 9.364 1.00 0.00 N ATOM 0 H ARG A 85 1.153 6.510 6.574 1.00 0.00 H new ATOM 0 HA ARG A 85 1.564 9.175 5.731 1.00 0.00 H new ATOM 0 HB2 ARG A 85 0.140 9.715 7.484 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -0.311 8.050 7.176 1.00 0.00 H new ATOM 0 HG2 ARG A 85 1.451 7.462 9.017 1.00 0.00 H new ATOM 0 HG3 ARG A 85 1.345 9.158 9.449 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -0.833 7.057 9.526 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -0.253 8.073 10.831 1.00 0.00 H new ATOM 0 HE ARG A 85 -1.242 9.943 9.106 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -2.535 6.903 10.348 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -4.214 7.448 10.265 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -3.401 10.636 9.000 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -4.702 9.552 9.505 1.00 0.00 H new ATOM 1276 N LYS A 86 3.875 8.009 7.543 1.00 0.00 N ATOM 1277 CA LYS A 86 5.135 8.286 8.222 1.00 0.00 C ATOM 1278 C LYS A 86 6.319 8.052 7.290 1.00 0.00 C ATOM 1279 O LYS A 86 6.895 6.965 7.266 1.00 0.00 O ATOM 1280 CB LYS A 86 5.271 7.407 9.468 1.00 0.00 C ATOM 1281 CG LYS A 86 5.232 5.919 9.169 1.00 0.00 C ATOM 1282 CD LYS A 86 4.661 5.130 10.335 1.00 0.00 C ATOM 1283 CE LYS A 86 5.741 4.763 11.342 1.00 0.00 C ATOM 1284 NZ LYS A 86 5.162 4.327 12.642 1.00 0.00 N ATOM 0 H LYS A 86 3.754 7.036 7.260 1.00 0.00 H new ATOM 0 HA LYS A 86 5.134 9.334 8.522 1.00 0.00 H new ATOM 0 HB2 LYS A 86 6.210 7.644 9.969 1.00 0.00 H new ATOM 0 HB3 LYS A 86 4.468 7.651 10.164 1.00 0.00 H new ATOM 0 HG2 LYS A 86 4.629 5.742 8.279 1.00 0.00 H new ATOM 0 HG3 LYS A 86 6.239 5.565 8.948 1.00 0.00 H new ATOM 0 HD2 LYS A 86 3.886 5.717 10.828 1.00 0.00 H new ATOM 0 HD3 LYS A 86 4.185 4.223 9.963 1.00 0.00 H new ATOM 0 HE2 LYS A 86 6.361 3.964 10.935 1.00 0.00 H new ATOM 0 HE3 LYS A 86 6.393 5.621 11.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 5.930 4.086 13.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 4.591 5.098 13.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 4.560 3.492 12.491 1.00 0.00 H new ATOM 1298 N GLN A 87 6.676 9.079 6.525 1.00 0.00 N ATOM 1299 CA GLN A 87 7.793 8.983 5.592 1.00 0.00 C ATOM 1300 C GLN A 87 8.908 9.949 5.977 1.00 0.00 C ATOM 1301 O GLN A 87 9.061 11.023 5.395 1.00 0.00 O ATOM 1302 CB GLN A 87 7.320 9.274 4.167 1.00 0.00 C ATOM 1303 CG GLN A 87 6.080 8.491 3.766 1.00 0.00 C ATOM 1304 CD GLN A 87 6.023 8.210 2.277 1.00 0.00 C ATOM 1305 OE1 GLN A 87 7.026 8.327 1.573 1.00 0.00 O ATOM 1306 NE2 GLN A 87 4.845 7.837 1.790 1.00 0.00 N ATOM 0 H GLN A 87 6.209 9.986 6.533 1.00 0.00 H new ATOM 0 HA GLN A 87 8.186 7.967 5.637 1.00 0.00 H new ATOM 0 HB2 GLN A 87 7.113 10.340 4.072 1.00 0.00 H new ATOM 0 HB3 GLN A 87 8.126 9.043 3.471 1.00 0.00 H new ATOM 0 HG2 GLN A 87 6.059 7.547 4.311 1.00 0.00 H new ATOM 0 HG3 GLN A 87 5.191 9.049 4.061 1.00 0.00 H new ATOM 0 HE21 GLN A 87 4.040 7.753 2.411 1.00 0.00 H new ATOM 0 HE22 GLN A 87 4.745 7.634 0.795 1.00 0.00 H new ATOM 1315 N PRO A 88 9.707 9.561 6.982 1.00 0.00 N ATOM 1316 CA PRO A 88 10.823 10.379 7.468 1.00 0.00 C ATOM 1317 C PRO A 88 11.965 10.458 6.460 1.00 0.00 C ATOM 1318 O PRO A 88 11.871 9.917 5.359 1.00 0.00 O ATOM 1319 CB PRO A 88 11.276 9.646 8.733 1.00 0.00 C ATOM 1320 CG PRO A 88 10.854 8.232 8.523 1.00 0.00 C ATOM 1321 CD PRO A 88 9.583 8.294 7.722 1.00 0.00 C ATOM 0 HA PRO A 88 10.525 11.413 7.642 1.00 0.00 H new ATOM 0 HB2 PRO A 88 12.355 9.721 8.869 1.00 0.00 H new ATOM 0 HB3 PRO A 88 10.812 10.070 9.624 1.00 0.00 H new ATOM 0 HG2 PRO A 88 11.623 7.670 7.992 1.00 0.00 H new ATOM 0 HG3 PRO A 88 10.691 7.728 9.476 1.00 0.00 H new ATOM 0 HD2 PRO A 88 9.491 7.442 7.048 1.00 0.00 H new ATOM 0 HD3 PRO A 88 8.703 8.289 8.365 1.00 0.00 H new ATOM 1329 N MET A 89 13.042 11.134 6.845 1.00 0.00 N ATOM 1330 CA MET A 89 14.203 11.282 5.975 1.00 0.00 C ATOM 1331 C MET A 89 14.456 10.002 5.185 1.00 0.00 C ATOM 1332 O MET A 89 15.021 9.040 5.706 1.00 0.00 O ATOM 1333 CB MET A 89 15.442 11.640 6.798 1.00 0.00 C ATOM 1334 CG MET A 89 15.550 13.122 7.120 1.00 0.00 C ATOM 1335 SD MET A 89 17.222 13.612 7.583 1.00 0.00 S ATOM 1336 CE MET A 89 17.525 12.517 8.968 1.00 0.00 C ATOM 0 H MET A 89 13.135 11.588 7.754 1.00 0.00 H new ATOM 0 HA MET A 89 13.998 12.089 5.271 1.00 0.00 H new ATOM 0 HB2 MET A 89 15.425 11.074 7.730 1.00 0.00 H new ATOM 0 HB3 MET A 89 16.333 11.329 6.252 1.00 0.00 H new ATOM 0 HG2 MET A 89 15.232 13.702 6.254 1.00 0.00 H new ATOM 0 HG3 MET A 89 14.866 13.364 7.934 1.00 0.00 H new ATOM 0 HE1 MET A 89 18.443 12.816 9.475 1.00 0.00 H new ATOM 0 HE2 MET A 89 16.690 12.574 9.666 1.00 0.00 H new ATOM 0 HE3 MET A 89 17.627 11.494 8.607 1.00 0.00 H new ATOM 1346 N LEU A 90 14.034 9.997 3.925 1.00 0.00 N ATOM 1347 CA LEU A 90 14.215 8.834 3.062 1.00 0.00 C ATOM 1348 C LEU A 90 15.599 8.842 2.421 1.00 0.00 C ATOM 1349 O LEU A 90 15.850 9.584 1.471 1.00 0.00 O ATOM 1350 CB LEU A 90 13.138 8.808 1.977 1.00 0.00 C ATOM 1351 CG LEU A 90 12.903 7.458 1.297 1.00 0.00 C ATOM 1352 CD1 LEU A 90 11.473 7.358 0.789 1.00 0.00 C ATOM 1353 CD2 LEU A 90 13.891 7.256 0.157 1.00 0.00 C ATOM 0 H LEU A 90 13.564 10.785 3.478 1.00 0.00 H new ATOM 0 HA LEU A 90 14.125 7.938 3.676 1.00 0.00 H new ATOM 0 HB2 LEU A 90 12.198 9.139 2.418 1.00 0.00 H new ATOM 0 HB3 LEU A 90 13.404 9.537 1.211 1.00 0.00 H new ATOM 0 HG LEU A 90 13.061 6.670 2.033 1.00 0.00 H new ATOM 0 HD11 LEU A 90 11.324 6.391 0.308 1.00 0.00 H new ATOM 0 HD12 LEU A 90 10.782 7.457 1.626 1.00 0.00 H new ATOM 0 HD13 LEU A 90 11.286 8.154 0.068 1.00 0.00 H new ATOM 0 HD21 LEU A 90 13.709 6.291 -0.315 1.00 0.00 H new ATOM 0 HD22 LEU A 90 13.764 8.050 -0.579 1.00 0.00 H new ATOM 0 HD23 LEU A 90 14.908 7.283 0.548 1.00 0.00 H new ATOM 1365 N ASP A 91 16.493 8.011 2.946 1.00 0.00 N ATOM 1366 CA ASP A 91 17.851 7.920 2.423 1.00 0.00 C ATOM 1367 C ASP A 91 17.879 7.132 1.116 1.00 0.00 C ATOM 1368 O ASP A 91 17.694 5.915 1.109 1.00 0.00 O ATOM 1369 CB ASP A 91 18.773 7.260 3.450 1.00 0.00 C ATOM 1370 CG ASP A 91 19.947 6.552 2.803 1.00 0.00 C ATOM 1371 OD1 ASP A 91 20.425 7.032 1.753 1.00 0.00 O ATOM 1372 OD2 ASP A 91 20.390 5.519 3.347 1.00 0.00 O ATOM 0 H ASP A 91 16.302 7.391 3.733 1.00 0.00 H new ATOM 0 HA ASP A 91 18.206 8.931 2.224 1.00 0.00 H new ATOM 0 HB2 ASP A 91 19.145 8.017 4.140 1.00 0.00 H new ATOM 0 HB3 ASP A 91 18.201 6.544 4.040 1.00 0.00 H new ATOM 1377 N SER A 92 18.109 7.836 0.012 1.00 0.00 N ATOM 1378 CA SER A 92 18.155 7.203 -1.301 1.00 0.00 C ATOM 1379 C SER A 92 19.580 7.189 -1.847 1.00 0.00 C ATOM 1380 O SER A 92 20.049 6.176 -2.362 1.00 0.00 O ATOM 1381 CB SER A 92 17.231 7.935 -2.276 1.00 0.00 C ATOM 1382 OG SER A 92 17.647 9.277 -2.464 1.00 0.00 O ATOM 0 H SER A 92 18.266 8.844 0.001 1.00 0.00 H new ATOM 0 HA SER A 92 17.815 6.173 -1.193 1.00 0.00 H new ATOM 0 HB2 SER A 92 17.224 7.416 -3.234 1.00 0.00 H new ATOM 0 HB3 SER A 92 16.209 7.918 -1.896 1.00 0.00 H new ATOM 0 HG SER A 92 17.041 9.722 -3.093 1.00 0.00 H new ATOM 1388 N GLY A 93 20.264 8.324 -1.730 1.00 0.00 N ATOM 1389 CA GLY A 93 21.627 8.422 -2.216 1.00 0.00 C ATOM 1390 C GLY A 93 22.063 9.857 -2.436 1.00 0.00 C ATOM 1391 O GLY A 93 21.259 10.727 -2.773 1.00 0.00 O ATOM 0 H GLY A 93 19.898 9.177 -1.307 1.00 0.00 H new ATOM 0 HA2 GLY A 93 22.299 7.947 -1.501 1.00 0.00 H new ATOM 0 HA3 GLY A 93 21.716 7.871 -3.152 1.00 0.00 H new ATOM 1395 N PRO A 94 23.363 10.121 -2.243 1.00 0.00 N ATOM 1396 CA PRO A 94 23.933 11.461 -2.416 1.00 0.00 C ATOM 1397 C PRO A 94 23.962 11.894 -3.878 1.00 0.00 C ATOM 1398 O PRO A 94 24.180 13.066 -4.183 1.00 0.00 O ATOM 1399 CB PRO A 94 25.357 11.313 -1.874 1.00 0.00 C ATOM 1400 CG PRO A 94 25.676 9.867 -2.035 1.00 0.00 C ATOM 1401 CD PRO A 94 24.378 9.132 -1.841 1.00 0.00 C ATOM 0 HA PRO A 94 23.345 12.223 -1.905 1.00 0.00 H new ATOM 0 HB2 PRO A 94 26.058 11.937 -2.428 1.00 0.00 H new ATOM 0 HB3 PRO A 94 25.416 11.617 -0.829 1.00 0.00 H new ATOM 0 HG2 PRO A 94 26.094 9.667 -3.022 1.00 0.00 H new ATOM 0 HG3 PRO A 94 26.418 9.547 -1.304 1.00 0.00 H new ATOM 0 HD2 PRO A 94 24.329 8.233 -2.456 1.00 0.00 H new ATOM 0 HD3 PRO A 94 24.245 8.818 -0.806 1.00 0.00 H new ATOM 1409 N SER A 95 23.739 10.941 -4.777 1.00 0.00 N ATOM 1410 CA SER A 95 23.742 11.224 -6.208 1.00 0.00 C ATOM 1411 C SER A 95 22.939 12.485 -6.514 1.00 0.00 C ATOM 1412 O SER A 95 21.710 12.451 -6.576 1.00 0.00 O ATOM 1413 CB SER A 95 23.168 10.038 -6.985 1.00 0.00 C ATOM 1414 OG SER A 95 21.853 9.734 -6.553 1.00 0.00 O ATOM 0 H SER A 95 23.554 9.966 -4.540 1.00 0.00 H new ATOM 0 HA SER A 95 24.774 11.387 -6.519 1.00 0.00 H new ATOM 0 HB2 SER A 95 23.160 10.267 -8.051 1.00 0.00 H new ATOM 0 HB3 SER A 95 23.809 9.167 -6.851 1.00 0.00 H new ATOM 0 HG SER A 95 21.365 10.566 -6.381 1.00 0.00 H new ATOM 1420 N SER A 96 23.643 13.596 -6.705 1.00 0.00 N ATOM 1421 CA SER A 96 22.997 14.869 -7.001 1.00 0.00 C ATOM 1422 C SER A 96 23.860 15.712 -7.934 1.00 0.00 C ATOM 1423 O SER A 96 25.071 15.515 -8.025 1.00 0.00 O ATOM 1424 CB SER A 96 22.722 15.638 -5.707 1.00 0.00 C ATOM 1425 OG SER A 96 21.911 16.774 -5.952 1.00 0.00 O ATOM 0 H SER A 96 24.661 13.640 -6.660 1.00 0.00 H new ATOM 0 HA SER A 96 22.050 14.661 -7.500 1.00 0.00 H new ATOM 0 HB2 SER A 96 22.229 14.983 -4.989 1.00 0.00 H new ATOM 0 HB3 SER A 96 23.665 15.950 -5.258 1.00 0.00 H new ATOM 0 HG SER A 96 21.748 17.247 -5.110 1.00 0.00 H new ATOM 1431 N GLY A 97 23.227 16.654 -8.626 1.00 0.00 N ATOM 1432 CA GLY A 97 23.951 17.514 -9.543 1.00 0.00 C ATOM 1433 C GLY A 97 24.451 16.769 -10.765 1.00 0.00 C ATOM 1434 O GLY A 97 24.516 15.540 -10.767 1.00 0.00 O ATOM 0 H GLY A 97 22.225 16.837 -8.568 1.00 0.00 H new ATOM 0 HA2 GLY A 97 23.302 18.330 -9.860 1.00 0.00 H new ATOM 0 HA3 GLY A 97 24.798 17.963 -9.023 1.00 0.00 H new TER 1438 GLY A 97