USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 585 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 45:sc= 0.605 USER MOD Single : A 3 SER OG : rot 33:sc= 0.298 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.721 USER MOD Single : A 10 LYS NZ :NH3+ 164:sc= -0.801 (180deg=-1.31) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ -168:sc= -0.379 (180deg=-0.602) USER MOD Single : A 18 GLN :FLIP amide:sc= -0.0416 F(o=-0.82,f=-0.042) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot -109:sc= -4.55! USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 ASN :FLIP amide:sc= -4.17! C(o=-6.7!,f=-4.2!) USER MOD Single : A 42 SER OG : rot 89:sc= 0.122 USER MOD Single : A 44 THR OG1 : rot -57:sc= 0.674 USER MOD Single : A 45 LYS NZ :NH3+ -133:sc= 0.654 (180deg=0.00211) USER MOD Single : A 46 MET CE :methyl -174:sc= 0 (180deg=-0.0658) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 145:sc= 1.53 (180deg=0.392) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= -0.145 X(o=-0.14,f=0) USER MOD Single : A 67 THR OG1 : rot 109:sc= 1.02 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ -155:sc= -0.108 (180deg=-0.533) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 11.481 11.297 -15.174 1.00 0.00 N ATOM 2 CA GLY A 1 10.466 11.977 -15.958 1.00 0.00 C ATOM 3 C GLY A 1 9.064 11.507 -15.625 1.00 0.00 C ATOM 4 O GLY A 1 8.619 10.467 -16.110 1.00 0.00 O ATOM 0 H1 GLY A 1 12.421 11.654 -15.439 1.00 0.00 H new ATOM 0 H2 GLY A 1 11.316 11.475 -14.163 1.00 0.00 H new ATOM 0 H3 GLY A 1 11.434 10.274 -15.358 1.00 0.00 H new ATOM 0 HA2 GLY A 1 10.537 13.051 -15.785 1.00 0.00 H new ATOM 0 HA3 GLY A 1 10.659 11.812 -17.018 1.00 0.00 H new ATOM 8 N SER A 2 8.367 12.274 -14.793 1.00 0.00 N ATOM 9 CA SER A 2 7.009 11.927 -14.390 1.00 0.00 C ATOM 10 C SER A 2 6.088 13.140 -14.484 1.00 0.00 C ATOM 11 O SER A 2 6.028 13.960 -13.567 1.00 0.00 O ATOM 12 CB SER A 2 7.002 11.376 -12.963 1.00 0.00 C ATOM 13 OG SER A 2 7.599 12.291 -12.060 1.00 0.00 O ATOM 0 H SER A 2 8.720 13.140 -14.385 1.00 0.00 H new ATOM 0 HA SER A 2 6.640 11.159 -15.070 1.00 0.00 H new ATOM 0 HB2 SER A 2 5.977 11.171 -12.654 1.00 0.00 H new ATOM 0 HB3 SER A 2 7.539 10.428 -12.933 1.00 0.00 H new ATOM 0 HG SER A 2 7.265 13.194 -12.241 1.00 0.00 H new ATOM 19 N SER A 3 5.372 13.247 -15.598 1.00 0.00 N ATOM 20 CA SER A 3 4.456 14.361 -15.814 1.00 0.00 C ATOM 21 C SER A 3 3.014 13.871 -15.897 1.00 0.00 C ATOM 22 O SER A 3 2.672 13.052 -16.749 1.00 0.00 O ATOM 23 CB SER A 3 4.826 15.111 -17.095 1.00 0.00 C ATOM 24 OG SER A 3 4.851 14.236 -18.210 1.00 0.00 O ATOM 0 H SER A 3 5.408 12.576 -16.365 1.00 0.00 H new ATOM 0 HA SER A 3 4.542 15.040 -14.965 1.00 0.00 H new ATOM 0 HB2 SER A 3 4.107 15.911 -17.272 1.00 0.00 H new ATOM 0 HB3 SER A 3 5.802 15.581 -16.976 1.00 0.00 H new ATOM 0 HG SER A 3 4.173 13.538 -18.093 1.00 0.00 H new ATOM 30 N GLY A 4 2.170 14.379 -15.003 1.00 0.00 N ATOM 31 CA GLY A 4 0.775 13.983 -14.991 1.00 0.00 C ATOM 32 C GLY A 4 -0.044 14.771 -13.988 1.00 0.00 C ATOM 33 O GLY A 4 0.470 15.194 -12.953 1.00 0.00 O ATOM 0 H GLY A 4 2.429 15.058 -14.287 1.00 0.00 H new ATOM 0 HA2 GLY A 4 0.353 14.120 -15.987 1.00 0.00 H new ATOM 0 HA3 GLY A 4 0.704 12.921 -14.758 1.00 0.00 H new ATOM 37 N SER A 5 -1.321 14.972 -14.296 1.00 0.00 N ATOM 38 CA SER A 5 -2.211 15.720 -13.416 1.00 0.00 C ATOM 39 C SER A 5 -2.520 14.925 -12.151 1.00 0.00 C ATOM 40 O SER A 5 -3.098 13.840 -12.212 1.00 0.00 O ATOM 41 CB SER A 5 -3.511 16.065 -14.145 1.00 0.00 C ATOM 42 OG SER A 5 -3.254 16.815 -15.320 1.00 0.00 O ATOM 0 H SER A 5 -1.763 14.627 -15.148 1.00 0.00 H new ATOM 0 HA SER A 5 -1.707 16.643 -13.130 1.00 0.00 H new ATOM 0 HB2 SER A 5 -4.041 15.148 -14.404 1.00 0.00 H new ATOM 0 HB3 SER A 5 -4.163 16.634 -13.482 1.00 0.00 H new ATOM 0 HG SER A 5 -4.101 17.021 -15.768 1.00 0.00 H new ATOM 48 N SER A 6 -2.128 15.473 -11.005 1.00 0.00 N ATOM 49 CA SER A 6 -2.359 14.814 -9.725 1.00 0.00 C ATOM 50 C SER A 6 -2.996 15.775 -8.726 1.00 0.00 C ATOM 51 O SER A 6 -2.593 16.932 -8.616 1.00 0.00 O ATOM 52 CB SER A 6 -1.043 14.273 -9.161 1.00 0.00 C ATOM 53 OG SER A 6 -1.271 13.468 -8.018 1.00 0.00 O ATOM 0 H SER A 6 -1.649 16.371 -10.937 1.00 0.00 H new ATOM 0 HA SER A 6 -3.044 13.983 -9.891 1.00 0.00 H new ATOM 0 HB2 SER A 6 -0.529 13.689 -9.925 1.00 0.00 H new ATOM 0 HB3 SER A 6 -0.387 15.103 -8.900 1.00 0.00 H new ATOM 0 HG SER A 6 -0.415 13.133 -7.678 1.00 0.00 H new ATOM 59 N GLY A 7 -3.997 15.286 -8.000 1.00 0.00 N ATOM 60 CA GLY A 7 -4.676 16.113 -7.019 1.00 0.00 C ATOM 61 C GLY A 7 -5.928 15.456 -6.474 1.00 0.00 C ATOM 62 O GLY A 7 -6.606 14.694 -7.164 1.00 0.00 O ATOM 0 H GLY A 7 -4.350 14.332 -8.074 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -3.995 16.328 -6.196 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -4.939 17.068 -7.473 1.00 0.00 H new ATOM 66 N PRO A 8 -6.251 15.751 -5.206 1.00 0.00 N ATOM 67 CA PRO A 8 -7.431 15.193 -4.540 1.00 0.00 C ATOM 68 C PRO A 8 -8.733 15.751 -5.104 1.00 0.00 C ATOM 69 O PRO A 8 -9.052 16.925 -4.913 1.00 0.00 O ATOM 70 CB PRO A 8 -7.252 15.623 -3.081 1.00 0.00 C ATOM 71 CG PRO A 8 -6.405 16.846 -3.149 1.00 0.00 C ATOM 72 CD PRO A 8 -5.488 16.651 -4.325 1.00 0.00 C ATOM 0 HA PRO A 8 -7.503 14.114 -4.675 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -8.212 15.832 -2.609 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -6.772 14.841 -2.494 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -7.018 17.738 -3.276 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -5.836 16.978 -2.229 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -5.259 17.596 -4.817 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -4.538 16.209 -4.025 1.00 0.00 H new ATOM 80 N THR A 9 -9.484 14.902 -5.799 1.00 0.00 N ATOM 81 CA THR A 9 -10.751 15.311 -6.391 1.00 0.00 C ATOM 82 C THR A 9 -11.922 14.578 -5.746 1.00 0.00 C ATOM 83 O THR A 9 -13.018 15.125 -5.622 1.00 0.00 O ATOM 84 CB THR A 9 -10.772 15.051 -7.909 1.00 0.00 C ATOM 85 OG1 THR A 9 -10.505 13.669 -8.173 1.00 0.00 O ATOM 86 CG2 THR A 9 -9.742 15.916 -8.620 1.00 0.00 C ATOM 0 H THR A 9 -9.236 13.927 -5.965 1.00 0.00 H new ATOM 0 HA THR A 9 -10.852 16.381 -6.211 1.00 0.00 H new ATOM 0 HB THR A 9 -11.762 15.308 -8.286 1.00 0.00 H new ATOM 0 HG1 THR A 9 -10.522 13.512 -9.140 1.00 0.00 H new ATOM 0 HG21 THR A 9 -9.775 15.715 -9.691 1.00 0.00 H new ATOM 0 HG22 THR A 9 -9.964 16.968 -8.441 1.00 0.00 H new ATOM 0 HG23 THR A 9 -8.747 15.685 -8.238 1.00 0.00 H new ATOM 94 N LYS A 10 -11.683 13.337 -5.336 1.00 0.00 N ATOM 95 CA LYS A 10 -12.717 12.529 -4.700 1.00 0.00 C ATOM 96 C LYS A 10 -12.264 12.049 -3.325 1.00 0.00 C ATOM 97 O LYS A 10 -11.068 11.994 -3.039 1.00 0.00 O ATOM 98 CB LYS A 10 -13.066 11.327 -5.581 1.00 0.00 C ATOM 99 CG LYS A 10 -11.932 10.327 -5.725 1.00 0.00 C ATOM 100 CD LYS A 10 -11.039 10.663 -6.907 1.00 0.00 C ATOM 101 CE LYS A 10 -11.529 9.997 -8.183 1.00 0.00 C ATOM 102 NZ LYS A 10 -12.802 10.598 -8.669 1.00 0.00 N ATOM 0 H LYS A 10 -10.782 12.869 -5.433 1.00 0.00 H new ATOM 0 HA LYS A 10 -13.603 13.151 -4.574 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -13.935 10.820 -5.161 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -13.352 11.684 -6.570 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -11.338 10.315 -4.811 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -12.343 9.325 -5.851 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -11.011 11.744 -7.047 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -10.019 10.342 -6.696 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -10.766 10.088 -8.956 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -11.676 8.932 -8.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -12.962 10.319 -9.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -13.591 10.261 -8.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -12.742 11.634 -8.607 1.00 0.00 H new ATOM 116 N TYR A 11 -13.227 11.703 -2.478 1.00 0.00 N ATOM 117 CA TYR A 11 -12.927 11.229 -1.132 1.00 0.00 C ATOM 118 C TYR A 11 -12.685 9.722 -1.127 1.00 0.00 C ATOM 119 O TYR A 11 -13.607 8.934 -0.920 1.00 0.00 O ATOM 120 CB TYR A 11 -14.071 11.576 -0.179 1.00 0.00 C ATOM 121 CG TYR A 11 -14.589 12.987 -0.343 1.00 0.00 C ATOM 122 CD1 TYR A 11 -15.550 13.289 -1.300 1.00 0.00 C ATOM 123 CD2 TYR A 11 -14.117 14.019 0.460 1.00 0.00 C ATOM 124 CE1 TYR A 11 -16.024 14.578 -1.454 1.00 0.00 C ATOM 125 CE2 TYR A 11 -14.587 15.310 0.314 1.00 0.00 C ATOM 126 CZ TYR A 11 -15.540 15.584 -0.645 1.00 0.00 C ATOM 127 OH TYR A 11 -16.012 16.868 -0.794 1.00 0.00 O ATOM 0 H TYR A 11 -14.222 11.742 -2.700 1.00 0.00 H new ATOM 0 HA TYR A 11 -12.018 11.726 -0.793 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -14.891 10.876 -0.339 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -13.731 11.440 0.848 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -15.933 12.503 -1.934 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -13.370 13.808 1.211 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -16.770 14.796 -2.204 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -14.211 16.100 0.947 1.00 0.00 H new ATOM 0 HH TYR A 11 -15.570 17.456 -0.147 1.00 0.00 H new ATOM 137 N LYS A 12 -11.436 9.329 -1.354 1.00 0.00 N ATOM 138 CA LYS A 12 -11.069 7.919 -1.374 1.00 0.00 C ATOM 139 C LYS A 12 -9.805 7.674 -0.556 1.00 0.00 C ATOM 140 O LYS A 12 -8.785 8.330 -0.763 1.00 0.00 O ATOM 141 CB LYS A 12 -10.856 7.446 -2.814 1.00 0.00 C ATOM 142 CG LYS A 12 -10.861 5.934 -2.965 1.00 0.00 C ATOM 143 CD LYS A 12 -11.246 5.516 -4.374 1.00 0.00 C ATOM 144 CE LYS A 12 -10.643 4.169 -4.740 1.00 0.00 C ATOM 145 NZ LYS A 12 -9.155 4.222 -4.790 1.00 0.00 N ATOM 0 H LYS A 12 -10.660 9.969 -1.527 1.00 0.00 H new ATOM 0 HA LYS A 12 -11.886 7.351 -0.928 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -11.638 7.868 -3.446 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -9.906 7.836 -3.179 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -9.873 5.540 -2.725 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -11.560 5.498 -2.251 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -12.332 5.464 -4.455 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -10.909 6.272 -5.084 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -10.955 3.421 -4.011 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -11.028 3.850 -5.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -8.792 3.355 -5.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -8.856 5.048 -5.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -8.778 4.300 -3.824 1.00 0.00 H new ATOM 159 N GLU A 13 -9.880 6.725 0.372 1.00 0.00 N ATOM 160 CA GLU A 13 -8.741 6.394 1.220 1.00 0.00 C ATOM 161 C GLU A 13 -8.781 4.927 1.637 1.00 0.00 C ATOM 162 O GLU A 13 -9.854 4.341 1.784 1.00 0.00 O ATOM 163 CB GLU A 13 -8.725 7.288 2.462 1.00 0.00 C ATOM 164 CG GLU A 13 -7.330 7.549 3.006 1.00 0.00 C ATOM 165 CD GLU A 13 -7.331 7.848 4.492 1.00 0.00 C ATOM 166 OE1 GLU A 13 -7.952 8.853 4.896 1.00 0.00 O ATOM 167 OE2 GLU A 13 -6.709 7.076 5.252 1.00 0.00 O ATOM 0 H GLU A 13 -10.717 6.172 0.555 1.00 0.00 H new ATOM 0 HA GLU A 13 -7.831 6.566 0.645 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -9.195 8.241 2.220 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -9.329 6.824 3.242 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -6.701 6.680 2.814 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -6.886 8.388 2.470 1.00 0.00 H new ATOM 174 N ARG A 14 -7.604 4.339 1.825 1.00 0.00 N ATOM 175 CA ARG A 14 -7.504 2.940 2.223 1.00 0.00 C ATOM 176 C ARG A 14 -8.244 2.693 3.534 1.00 0.00 C ATOM 177 O ARG A 14 -8.639 3.634 4.222 1.00 0.00 O ATOM 178 CB ARG A 14 -6.036 2.533 2.369 1.00 0.00 C ATOM 179 CG ARG A 14 -5.250 2.614 1.071 1.00 0.00 C ATOM 180 CD ARG A 14 -5.475 1.384 0.206 1.00 0.00 C ATOM 181 NE ARG A 14 -6.769 1.419 -0.470 1.00 0.00 N ATOM 182 CZ ARG A 14 -7.012 2.145 -1.556 1.00 0.00 C ATOM 183 NH1 ARG A 14 -6.053 2.890 -2.087 1.00 0.00 N ATOM 184 NH2 ARG A 14 -8.216 2.124 -2.114 1.00 0.00 N ATOM 0 H ARG A 14 -6.707 4.810 1.708 1.00 0.00 H new ATOM 0 HA ARG A 14 -7.967 2.333 1.445 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -5.562 3.175 3.112 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -5.987 1.513 2.751 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -5.546 3.507 0.520 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -4.188 2.714 1.293 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -4.680 1.313 -0.536 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -5.414 0.489 0.825 1.00 0.00 H new ATOM 0 HE ARG A 14 -7.528 0.855 -0.087 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -5.126 2.907 -1.662 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -6.242 3.446 -2.921 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -8.956 1.550 -1.709 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -8.402 2.682 -2.948 1.00 0.00 H new ATOM 198 N ALA A 15 -8.428 1.421 3.873 1.00 0.00 N ATOM 199 CA ALA A 15 -9.119 1.051 5.102 1.00 0.00 C ATOM 200 C ALA A 15 -8.158 1.021 6.285 1.00 0.00 C ATOM 201 O ALA A 15 -6.938 0.977 6.124 1.00 0.00 O ATOM 202 CB ALA A 15 -9.799 -0.301 4.938 1.00 0.00 C ATOM 0 H ALA A 15 -8.108 0.630 3.314 1.00 0.00 H new ATOM 0 HA ALA A 15 -9.879 1.806 5.304 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -10.311 -0.565 5.863 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -10.523 -0.248 4.125 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -9.050 -1.059 4.708 1.00 0.00 H new ATOM 208 N PRO A 16 -8.717 1.047 7.504 1.00 0.00 N ATOM 209 CA PRO A 16 -7.927 1.025 8.738 1.00 0.00 C ATOM 210 C PRO A 16 -7.251 -0.323 8.969 1.00 0.00 C ATOM 211 O PRO A 16 -6.292 -0.423 9.734 1.00 0.00 O ATOM 212 CB PRO A 16 -8.965 1.297 9.829 1.00 0.00 C ATOM 213 CG PRO A 16 -10.256 0.833 9.248 1.00 0.00 C ATOM 214 CD PRO A 16 -10.164 1.100 7.771 1.00 0.00 C ATOM 0 HA PRO A 16 -7.114 1.750 8.715 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -8.727 0.757 10.746 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -9.003 2.356 10.084 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -10.414 -0.228 9.444 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -11.097 1.367 9.690 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -10.707 0.352 7.193 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -10.585 2.071 7.511 1.00 0.00 H new ATOM 222 N GLU A 17 -7.758 -1.356 8.304 1.00 0.00 N ATOM 223 CA GLU A 17 -7.203 -2.697 8.438 1.00 0.00 C ATOM 224 C GLU A 17 -6.039 -2.904 7.473 1.00 0.00 C ATOM 225 O GLU A 17 -5.060 -3.574 7.800 1.00 0.00 O ATOM 226 CB GLU A 17 -8.284 -3.749 8.183 1.00 0.00 C ATOM 227 CG GLU A 17 -9.091 -4.106 9.420 1.00 0.00 C ATOM 228 CD GLU A 17 -8.457 -5.220 10.229 1.00 0.00 C ATOM 229 OE1 GLU A 17 -8.408 -6.363 9.727 1.00 0.00 O ATOM 230 OE2 GLU A 17 -8.009 -4.950 11.363 1.00 0.00 O ATOM 0 H GLU A 17 -8.552 -1.290 7.667 1.00 0.00 H new ATOM 0 HA GLU A 17 -6.832 -2.808 9.457 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -8.961 -3.382 7.411 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -7.815 -4.652 7.793 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -9.197 -3.221 10.048 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -10.095 -4.406 9.120 1.00 0.00 H new ATOM 237 N GLN A 18 -6.155 -2.323 6.283 1.00 0.00 N ATOM 238 CA GLN A 18 -5.113 -2.444 5.270 1.00 0.00 C ATOM 239 C GLN A 18 -3.913 -1.569 5.616 1.00 0.00 C ATOM 240 O GLN A 18 -2.775 -2.039 5.644 1.00 0.00 O ATOM 241 CB GLN A 18 -5.662 -2.058 3.896 1.00 0.00 C ATOM 242 CG GLN A 18 -6.952 -2.775 3.532 1.00 0.00 C ATOM 243 CD GLN A 18 -7.502 -2.341 2.188 1.00 0.00 C ATOM 244 OE1 GLN A 18 -6.628 -2.246 1.193 1.00 0.00 O flip ATOM 245 NE2 GLN A 18 -8.700 -2.094 2.045 1.00 0.00 N flip ATOM 0 H GLN A 18 -6.959 -1.764 5.997 1.00 0.00 H new ATOM 0 HA GLN A 18 -4.785 -3.483 5.244 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -5.835 -0.982 3.873 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -4.909 -2.276 3.139 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -6.774 -3.850 3.517 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -7.698 -2.586 4.304 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -9.337 -2.180 2.837 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -9.056 -1.803 1.134 1.00 0.00 H new ATOM 254 N LEU A 19 -4.174 -0.293 5.879 1.00 0.00 N ATOM 255 CA LEU A 19 -3.115 0.650 6.223 1.00 0.00 C ATOM 256 C LEU A 19 -2.259 0.114 7.366 1.00 0.00 C ATOM 257 O LEU A 19 -1.032 0.204 7.332 1.00 0.00 O ATOM 258 CB LEU A 19 -3.715 2.002 6.610 1.00 0.00 C ATOM 259 CG LEU A 19 -4.075 2.933 5.451 1.00 0.00 C ATOM 260 CD1 LEU A 19 -4.694 4.220 5.973 1.00 0.00 C ATOM 261 CD2 LEU A 19 -2.845 3.235 4.607 1.00 0.00 C ATOM 0 H LEU A 19 -5.110 0.112 5.861 1.00 0.00 H new ATOM 0 HA LEU A 19 -2.479 0.780 5.347 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.615 1.823 7.199 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.008 2.519 7.259 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.809 2.430 4.821 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.944 4.870 5.134 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -5.599 3.987 6.534 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.983 4.727 6.626 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -3.120 3.899 3.787 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.088 3.717 5.226 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.444 2.306 4.202 1.00 0.00 H new ATOM 273 N ARG A 20 -2.916 -0.445 8.378 1.00 0.00 N ATOM 274 CA ARG A 20 -2.216 -0.997 9.531 1.00 0.00 C ATOM 275 C ARG A 20 -1.127 -1.971 9.092 1.00 0.00 C ATOM 276 O ARG A 20 -0.076 -2.070 9.725 1.00 0.00 O ATOM 277 CB ARG A 20 -3.202 -1.704 10.463 1.00 0.00 C ATOM 278 CG ARG A 20 -2.534 -2.424 11.623 1.00 0.00 C ATOM 279 CD ARG A 20 -3.463 -2.530 12.822 1.00 0.00 C ATOM 280 NE ARG A 20 -2.924 -3.407 13.857 1.00 0.00 N ATOM 281 CZ ARG A 20 -3.667 -3.975 14.801 1.00 0.00 C ATOM 282 NH1 ARG A 20 -4.974 -3.759 14.838 1.00 0.00 N ATOM 283 NH2 ARG A 20 -3.102 -4.761 15.708 1.00 0.00 N ATOM 0 H ARG A 20 -3.932 -0.527 8.422 1.00 0.00 H new ATOM 0 HA ARG A 20 -1.747 -0.172 10.068 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -3.905 -0.971 10.858 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -3.783 -2.424 9.886 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -2.231 -3.422 11.307 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -1.627 -1.891 11.910 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -3.630 -1.537 13.239 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -4.433 -2.907 12.497 1.00 0.00 H new ATOM 0 HE ARG A 20 -1.921 -3.594 13.856 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -5.411 -3.156 14.141 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -5.543 -4.196 15.563 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -2.096 -4.930 15.681 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -3.673 -5.197 16.432 1.00 0.00 H new ATOM 297 N ALA A 21 -1.386 -2.689 8.003 1.00 0.00 N ATOM 298 CA ALA A 21 -0.428 -3.653 7.478 1.00 0.00 C ATOM 299 C ALA A 21 0.592 -2.976 6.570 1.00 0.00 C ATOM 300 O ALA A 21 1.773 -3.327 6.573 1.00 0.00 O ATOM 301 CB ALA A 21 -1.152 -4.762 6.728 1.00 0.00 C ATOM 0 H ALA A 21 -2.252 -2.620 7.468 1.00 0.00 H new ATOM 0 HA ALA A 21 0.109 -4.089 8.320 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -0.424 -5.475 6.341 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -1.836 -5.273 7.406 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -1.715 -4.333 5.899 1.00 0.00 H new ATOM 307 N LEU A 22 0.130 -2.003 5.792 1.00 0.00 N ATOM 308 CA LEU A 22 1.002 -1.276 4.876 1.00 0.00 C ATOM 309 C LEU A 22 1.931 -0.337 5.639 1.00 0.00 C ATOM 310 O LEU A 22 3.150 -0.503 5.618 1.00 0.00 O ATOM 311 CB LEU A 22 0.169 -0.480 3.870 1.00 0.00 C ATOM 312 CG LEU A 22 -0.851 -1.282 3.060 1.00 0.00 C ATOM 313 CD1 LEU A 22 -1.937 -0.367 2.515 1.00 0.00 C ATOM 314 CD2 LEU A 22 -0.163 -2.030 1.928 1.00 0.00 C ATOM 0 H LEU A 22 -0.844 -1.699 5.777 1.00 0.00 H new ATOM 0 HA LEU A 22 1.611 -2.004 4.339 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.361 0.306 4.408 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.849 0.013 3.175 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.318 -2.013 3.720 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.654 -0.955 1.941 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.449 0.123 3.343 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.487 0.387 1.869 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.904 -2.595 1.362 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.331 -1.317 1.268 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.577 -2.715 2.342 1.00 0.00 H new ATOM 326 N GLU A 23 1.346 0.647 6.314 1.00 0.00 N ATOM 327 CA GLU A 23 2.122 1.611 7.085 1.00 0.00 C ATOM 328 C GLU A 23 3.243 0.917 7.853 1.00 0.00 C ATOM 329 O GLU A 23 4.402 1.326 7.785 1.00 0.00 O ATOM 330 CB GLU A 23 1.215 2.368 8.058 1.00 0.00 C ATOM 331 CG GLU A 23 0.520 3.567 7.435 1.00 0.00 C ATOM 332 CD GLU A 23 1.491 4.660 7.032 1.00 0.00 C ATOM 333 OE1 GLU A 23 2.486 4.867 7.758 1.00 0.00 O ATOM 334 OE2 GLU A 23 1.255 5.308 5.991 1.00 0.00 O ATOM 0 H GLU A 23 0.338 0.798 6.343 1.00 0.00 H new ATOM 0 HA GLU A 23 2.568 2.321 6.388 1.00 0.00 H new ATOM 0 HB2 GLU A 23 0.461 1.683 8.446 1.00 0.00 H new ATOM 0 HB3 GLU A 23 1.809 2.704 8.908 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -0.040 3.242 6.558 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -0.203 3.972 8.143 1.00 0.00 H new ATOM 341 N SER A 24 2.889 -0.135 8.584 1.00 0.00 N ATOM 342 CA SER A 24 3.863 -0.884 9.368 1.00 0.00 C ATOM 343 C SER A 24 4.964 -1.446 8.474 1.00 0.00 C ATOM 344 O SER A 24 6.145 -1.392 8.818 1.00 0.00 O ATOM 345 CB SER A 24 3.174 -2.023 10.124 1.00 0.00 C ATOM 346 OG SER A 24 3.977 -2.481 11.198 1.00 0.00 O ATOM 0 H SER A 24 1.934 -0.488 8.649 1.00 0.00 H new ATOM 0 HA SER A 24 4.316 -0.201 10.087 1.00 0.00 H new ATOM 0 HB2 SER A 24 2.212 -1.681 10.505 1.00 0.00 H new ATOM 0 HB3 SER A 24 2.971 -2.847 9.440 1.00 0.00 H new ATOM 0 HG SER A 24 3.514 -3.207 11.666 1.00 0.00 H new ATOM 352 N SER A 25 4.568 -1.984 7.325 1.00 0.00 N ATOM 353 CA SER A 25 5.521 -2.559 6.382 1.00 0.00 C ATOM 354 C SER A 25 6.411 -1.476 5.781 1.00 0.00 C ATOM 355 O SER A 25 7.537 -1.745 5.360 1.00 0.00 O ATOM 356 CB SER A 25 4.781 -3.304 5.269 1.00 0.00 C ATOM 357 OG SER A 25 5.662 -4.147 4.548 1.00 0.00 O ATOM 0 H SER A 25 3.595 -2.034 7.024 1.00 0.00 H new ATOM 0 HA SER A 25 6.152 -3.263 6.924 1.00 0.00 H new ATOM 0 HB2 SER A 25 3.974 -3.898 5.698 1.00 0.00 H new ATOM 0 HB3 SER A 25 4.322 -2.586 4.589 1.00 0.00 H new ATOM 0 HG SER A 25 5.810 -3.777 3.653 1.00 0.00 H new ATOM 363 N PHE A 26 5.899 -0.251 5.745 1.00 0.00 N ATOM 364 CA PHE A 26 6.647 0.874 5.195 1.00 0.00 C ATOM 365 C PHE A 26 7.835 1.226 6.086 1.00 0.00 C ATOM 366 O PHE A 26 8.971 1.305 5.621 1.00 0.00 O ATOM 367 CB PHE A 26 5.734 2.092 5.037 1.00 0.00 C ATOM 368 CG PHE A 26 6.378 3.232 4.300 1.00 0.00 C ATOM 369 CD1 PHE A 26 6.887 3.049 3.024 1.00 0.00 C ATOM 370 CD2 PHE A 26 6.472 4.485 4.882 1.00 0.00 C ATOM 371 CE1 PHE A 26 7.480 4.096 2.344 1.00 0.00 C ATOM 372 CE2 PHE A 26 7.064 5.536 4.206 1.00 0.00 C ATOM 373 CZ PHE A 26 7.568 5.341 2.935 1.00 0.00 C ATOM 0 H PHE A 26 4.969 -0.011 6.090 1.00 0.00 H new ATOM 0 HA PHE A 26 7.025 0.582 4.215 1.00 0.00 H new ATOM 0 HB2 PHE A 26 4.830 1.792 4.507 1.00 0.00 H new ATOM 0 HB3 PHE A 26 5.426 2.436 6.024 1.00 0.00 H new ATOM 0 HD1 PHE A 26 6.820 2.078 2.556 1.00 0.00 H new ATOM 0 HD2 PHE A 26 6.078 4.643 5.875 1.00 0.00 H new ATOM 0 HE1 PHE A 26 7.874 3.941 1.351 1.00 0.00 H new ATOM 0 HE2 PHE A 26 7.132 6.508 4.671 1.00 0.00 H new ATOM 0 HZ PHE A 26 8.030 6.160 2.404 1.00 0.00 H new ATOM 383 N ALA A 27 7.562 1.436 7.370 1.00 0.00 N ATOM 384 CA ALA A 27 8.606 1.778 8.327 1.00 0.00 C ATOM 385 C ALA A 27 9.844 0.912 8.121 1.00 0.00 C ATOM 386 O ALA A 27 10.968 1.354 8.358 1.00 0.00 O ATOM 387 CB ALA A 27 8.088 1.631 9.749 1.00 0.00 C ATOM 0 H ALA A 27 6.626 1.375 7.771 1.00 0.00 H new ATOM 0 HA ALA A 27 8.890 2.817 8.161 1.00 0.00 H new ATOM 0 HB1 ALA A 27 8.879 1.890 10.453 1.00 0.00 H new ATOM 0 HB2 ALA A 27 7.238 2.297 9.897 1.00 0.00 H new ATOM 0 HB3 ALA A 27 7.775 0.601 9.918 1.00 0.00 H new ATOM 393 N GLN A 28 9.630 -0.323 7.678 1.00 0.00 N ATOM 394 CA GLN A 28 10.730 -1.251 7.442 1.00 0.00 C ATOM 395 C GLN A 28 11.348 -1.024 6.066 1.00 0.00 C ATOM 396 O GLN A 28 12.565 -0.907 5.934 1.00 0.00 O ATOM 397 CB GLN A 28 10.241 -2.695 7.562 1.00 0.00 C ATOM 398 CG GLN A 28 9.621 -3.017 8.913 1.00 0.00 C ATOM 399 CD GLN A 28 10.659 -3.346 9.968 1.00 0.00 C ATOM 400 OE1 GLN A 28 10.950 -2.531 10.844 1.00 0.00 O ATOM 401 NE2 GLN A 28 11.225 -4.545 9.889 1.00 0.00 N ATOM 0 H GLN A 28 8.706 -0.704 7.475 1.00 0.00 H new ATOM 0 HA GLN A 28 11.494 -1.069 8.198 1.00 0.00 H new ATOM 0 HB2 GLN A 28 9.507 -2.888 6.780 1.00 0.00 H new ATOM 0 HB3 GLN A 28 11.079 -3.369 7.386 1.00 0.00 H new ATOM 0 HG2 GLN A 28 9.026 -2.167 9.247 1.00 0.00 H new ATOM 0 HG3 GLN A 28 8.939 -3.861 8.804 1.00 0.00 H new ATOM 0 HE21 GLN A 28 10.954 -5.189 9.146 1.00 0.00 H new ATOM 0 HE22 GLN A 28 11.931 -4.822 10.571 1.00 0.00 H new ATOM 410 N ASN A 29 10.500 -0.962 5.045 1.00 0.00 N ATOM 411 CA ASN A 29 10.963 -0.750 3.679 1.00 0.00 C ATOM 412 C ASN A 29 9.896 -0.047 2.845 1.00 0.00 C ATOM 413 O ASN A 29 8.703 -0.335 2.948 1.00 0.00 O ATOM 414 CB ASN A 29 11.335 -2.085 3.031 1.00 0.00 C ATOM 415 CG ASN A 29 12.142 -1.906 1.759 1.00 0.00 C ATOM 416 OD1 ASN A 29 11.479 -2.030 0.615 1.00 0.00 O flip ATOM 417 ND2 ASN A 29 13.347 -1.659 1.806 1.00 0.00 N flip ATOM 0 H ASN A 29 9.489 -1.056 5.138 1.00 0.00 H new ATOM 0 HA ASN A 29 11.847 -0.113 3.717 1.00 0.00 H new ATOM 0 HB2 ASN A 29 11.908 -2.683 3.740 1.00 0.00 H new ATOM 0 HB3 ASN A 29 10.426 -2.642 2.806 1.00 0.00 H new ATOM 0 HD21 ASN A 29 13.815 -1.572 2.708 1.00 0.00 H new ATOM 0 HD22 ASN A 29 13.877 -1.541 0.943 1.00 0.00 H new ATOM 424 N PRO A 30 10.333 0.897 1.999 1.00 0.00 N ATOM 425 CA PRO A 30 9.431 1.660 1.130 1.00 0.00 C ATOM 426 C PRO A 30 8.833 0.803 0.020 1.00 0.00 C ATOM 427 O PRO A 30 7.634 0.872 -0.254 1.00 0.00 O ATOM 428 CB PRO A 30 10.339 2.742 0.540 1.00 0.00 C ATOM 429 CG PRO A 30 11.709 2.159 0.595 1.00 0.00 C ATOM 430 CD PRO A 30 11.740 1.292 1.824 1.00 0.00 C ATOM 0 HA PRO A 30 8.575 2.054 1.677 1.00 0.00 H new ATOM 0 HB2 PRO A 30 10.053 2.984 -0.483 1.00 0.00 H new ATOM 0 HB3 PRO A 30 10.279 3.666 1.115 1.00 0.00 H new ATOM 0 HG2 PRO A 30 11.921 1.575 -0.300 1.00 0.00 H new ATOM 0 HG3 PRO A 30 12.465 2.942 0.651 1.00 0.00 H new ATOM 0 HD2 PRO A 30 12.387 0.425 1.688 1.00 0.00 H new ATOM 0 HD3 PRO A 30 12.115 1.837 2.690 1.00 0.00 H new ATOM 438 N LEU A 31 9.674 -0.005 -0.616 1.00 0.00 N ATOM 439 CA LEU A 31 9.228 -0.877 -1.697 1.00 0.00 C ATOM 440 C LEU A 31 9.630 -2.324 -1.431 1.00 0.00 C ATOM 441 O LEU A 31 10.647 -2.812 -1.924 1.00 0.00 O ATOM 442 CB LEU A 31 9.814 -0.410 -3.031 1.00 0.00 C ATOM 443 CG LEU A 31 9.558 1.051 -3.401 1.00 0.00 C ATOM 444 CD1 LEU A 31 10.321 1.424 -4.663 1.00 0.00 C ATOM 445 CD2 LEU A 31 8.068 1.302 -3.583 1.00 0.00 C ATOM 0 H LEU A 31 10.669 -0.074 -0.402 1.00 0.00 H new ATOM 0 HA LEU A 31 8.140 -0.825 -1.747 1.00 0.00 H new ATOM 0 HB2 LEU A 31 10.891 -0.575 -3.010 1.00 0.00 H new ATOM 0 HB3 LEU A 31 9.410 -1.041 -3.823 1.00 0.00 H new ATOM 0 HG LEU A 31 9.915 1.680 -2.586 1.00 0.00 H new ATOM 0 HD11 LEU A 31 10.126 2.467 -4.911 1.00 0.00 H new ATOM 0 HD12 LEU A 31 11.389 1.283 -4.497 1.00 0.00 H new ATOM 0 HD13 LEU A 31 9.995 0.789 -5.486 1.00 0.00 H new ATOM 0 HD21 LEU A 31 7.905 2.347 -3.846 1.00 0.00 H new ATOM 0 HD22 LEU A 31 7.686 0.663 -4.379 1.00 0.00 H new ATOM 0 HD23 LEU A 31 7.545 1.076 -2.654 1.00 0.00 H new ATOM 457 N PRO A 32 8.813 -3.028 -0.634 1.00 0.00 N ATOM 458 CA PRO A 32 9.061 -4.430 -0.286 1.00 0.00 C ATOM 459 C PRO A 32 8.868 -5.365 -1.475 1.00 0.00 C ATOM 460 O PRO A 32 7.888 -5.254 -2.213 1.00 0.00 O ATOM 461 CB PRO A 32 8.017 -4.718 0.796 1.00 0.00 C ATOM 462 CG PRO A 32 6.920 -3.746 0.531 1.00 0.00 C ATOM 463 CD PRO A 32 7.583 -2.510 -0.011 1.00 0.00 C ATOM 0 HA PRO A 32 10.088 -4.593 0.040 1.00 0.00 H new ATOM 0 HB2 PRO A 32 7.658 -5.746 0.737 1.00 0.00 H new ATOM 0 HB3 PRO A 32 8.433 -4.583 1.794 1.00 0.00 H new ATOM 0 HG2 PRO A 32 6.205 -4.151 -0.185 1.00 0.00 H new ATOM 0 HG3 PRO A 32 6.367 -3.524 1.444 1.00 0.00 H new ATOM 0 HD2 PRO A 32 6.950 -1.999 -0.736 1.00 0.00 H new ATOM 0 HD3 PRO A 32 7.804 -1.793 0.780 1.00 0.00 H new ATOM 471 N LEU A 33 9.808 -6.287 -1.656 1.00 0.00 N ATOM 472 CA LEU A 33 9.740 -7.243 -2.756 1.00 0.00 C ATOM 473 C LEU A 33 8.444 -8.044 -2.702 1.00 0.00 C ATOM 474 O LEU A 33 7.577 -7.786 -1.867 1.00 0.00 O ATOM 475 CB LEU A 33 10.941 -8.189 -2.709 1.00 0.00 C ATOM 476 CG LEU A 33 12.308 -7.552 -2.958 1.00 0.00 C ATOM 477 CD1 LEU A 33 13.422 -8.540 -2.648 1.00 0.00 C ATOM 478 CD2 LEU A 33 12.414 -7.060 -4.395 1.00 0.00 C ATOM 0 H LEU A 33 10.626 -6.393 -1.055 1.00 0.00 H new ATOM 0 HA LEU A 33 9.761 -6.685 -3.692 1.00 0.00 H new ATOM 0 HB2 LEU A 33 10.960 -8.671 -1.732 1.00 0.00 H new ATOM 0 HB3 LEU A 33 10.788 -8.974 -3.449 1.00 0.00 H new ATOM 0 HG LEU A 33 12.414 -6.695 -2.293 1.00 0.00 H new ATOM 0 HD11 LEU A 33 14.388 -8.069 -2.831 1.00 0.00 H new ATOM 0 HD12 LEU A 33 13.359 -8.844 -1.603 1.00 0.00 H new ATOM 0 HD13 LEU A 33 13.319 -9.417 -3.287 1.00 0.00 H new ATOM 0 HD21 LEU A 33 13.394 -6.610 -4.554 1.00 0.00 H new ATOM 0 HD22 LEU A 33 12.286 -7.900 -5.078 1.00 0.00 H new ATOM 0 HD23 LEU A 33 11.638 -6.318 -4.584 1.00 0.00 H new ATOM 490 N ASP A 34 8.319 -9.019 -3.596 1.00 0.00 N ATOM 491 CA ASP A 34 7.130 -9.861 -3.649 1.00 0.00 C ATOM 492 C ASP A 34 7.022 -10.727 -2.398 1.00 0.00 C ATOM 493 O ASP A 34 5.928 -10.961 -1.887 1.00 0.00 O ATOM 494 CB ASP A 34 7.160 -10.746 -4.896 1.00 0.00 C ATOM 495 CG ASP A 34 8.573 -11.090 -5.327 1.00 0.00 C ATOM 496 OD1 ASP A 34 9.299 -11.721 -4.531 1.00 0.00 O ATOM 497 OD2 ASP A 34 8.951 -10.729 -6.461 1.00 0.00 O ATOM 0 H ASP A 34 9.027 -9.246 -4.294 1.00 0.00 H new ATOM 0 HA ASP A 34 6.256 -9.211 -3.696 1.00 0.00 H new ATOM 0 HB2 ASP A 34 6.609 -11.666 -4.699 1.00 0.00 H new ATOM 0 HB3 ASP A 34 6.648 -10.236 -5.712 1.00 0.00 H new ATOM 502 N GLU A 35 8.165 -11.201 -1.912 1.00 0.00 N ATOM 503 CA GLU A 35 8.198 -12.043 -0.722 1.00 0.00 C ATOM 504 C GLU A 35 7.579 -11.322 0.472 1.00 0.00 C ATOM 505 O GLU A 35 6.734 -11.876 1.175 1.00 0.00 O ATOM 506 CB GLU A 35 9.636 -12.450 -0.397 1.00 0.00 C ATOM 507 CG GLU A 35 10.567 -11.270 -0.176 1.00 0.00 C ATOM 508 CD GLU A 35 11.993 -11.698 0.115 1.00 0.00 C ATOM 509 OE1 GLU A 35 12.243 -12.212 1.225 1.00 0.00 O ATOM 510 OE2 GLU A 35 12.858 -11.518 -0.768 1.00 0.00 O ATOM 0 H GLU A 35 9.080 -11.016 -2.324 1.00 0.00 H new ATOM 0 HA GLU A 35 7.613 -12.939 -0.927 1.00 0.00 H new ATOM 0 HB2 GLU A 35 9.635 -13.074 0.497 1.00 0.00 H new ATOM 0 HB3 GLU A 35 10.025 -13.061 -1.212 1.00 0.00 H new ATOM 0 HG2 GLU A 35 10.556 -10.633 -1.060 1.00 0.00 H new ATOM 0 HG3 GLU A 35 10.195 -10.669 0.654 1.00 0.00 H new ATOM 517 N GLU A 36 8.008 -10.084 0.695 1.00 0.00 N ATOM 518 CA GLU A 36 7.498 -9.287 1.805 1.00 0.00 C ATOM 519 C GLU A 36 6.077 -8.808 1.522 1.00 0.00 C ATOM 520 O GLU A 36 5.333 -8.458 2.440 1.00 0.00 O ATOM 521 CB GLU A 36 8.411 -8.086 2.062 1.00 0.00 C ATOM 522 CG GLU A 36 7.849 -7.100 3.073 1.00 0.00 C ATOM 523 CD GLU A 36 7.568 -7.741 4.418 1.00 0.00 C ATOM 524 OE1 GLU A 36 8.223 -8.753 4.743 1.00 0.00 O ATOM 525 OE2 GLU A 36 6.691 -7.230 5.146 1.00 0.00 O ATOM 0 H GLU A 36 8.707 -9.611 0.122 1.00 0.00 H new ATOM 0 HA GLU A 36 7.481 -9.918 2.694 1.00 0.00 H new ATOM 0 HB2 GLU A 36 9.378 -8.444 2.415 1.00 0.00 H new ATOM 0 HB3 GLU A 36 8.588 -7.567 1.120 1.00 0.00 H new ATOM 0 HG2 GLU A 36 8.554 -6.280 3.206 1.00 0.00 H new ATOM 0 HG3 GLU A 36 6.928 -6.668 2.681 1.00 0.00 H new ATOM 532 N LEU A 37 5.706 -8.795 0.247 1.00 0.00 N ATOM 533 CA LEU A 37 4.374 -8.359 -0.158 1.00 0.00 C ATOM 534 C LEU A 37 3.370 -9.502 -0.049 1.00 0.00 C ATOM 535 O LEU A 37 2.192 -9.282 0.237 1.00 0.00 O ATOM 536 CB LEU A 37 4.404 -7.827 -1.592 1.00 0.00 C ATOM 537 CG LEU A 37 4.906 -6.393 -1.766 1.00 0.00 C ATOM 538 CD1 LEU A 37 5.215 -6.110 -3.228 1.00 0.00 C ATOM 539 CD2 LEU A 37 3.881 -5.402 -1.234 1.00 0.00 C ATOM 0 H LEU A 37 6.309 -9.081 -0.525 1.00 0.00 H new ATOM 0 HA LEU A 37 4.061 -7.560 0.513 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.034 -8.486 -2.190 1.00 0.00 H new ATOM 0 HB3 LEU A 37 3.396 -7.890 -2.003 1.00 0.00 H new ATOM 0 HG LEU A 37 5.826 -6.277 -1.193 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.571 -5.085 -3.333 1.00 0.00 H new ATOM 0 HD12 LEU A 37 5.984 -6.799 -3.577 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.312 -6.243 -3.823 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.254 -4.386 -1.366 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.945 -5.518 -1.780 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.708 -5.591 -0.174 1.00 0.00 H new ATOM 551 N ASP A 38 3.843 -10.722 -0.275 1.00 0.00 N ATOM 552 CA ASP A 38 2.988 -11.901 -0.198 1.00 0.00 C ATOM 553 C ASP A 38 2.296 -11.983 1.160 1.00 0.00 C ATOM 554 O ASP A 38 1.106 -12.285 1.243 1.00 0.00 O ATOM 555 CB ASP A 38 3.807 -13.169 -0.445 1.00 0.00 C ATOM 556 CG ASP A 38 2.975 -14.429 -0.315 1.00 0.00 C ATOM 557 OD1 ASP A 38 1.886 -14.488 -0.925 1.00 0.00 O ATOM 558 OD2 ASP A 38 3.413 -15.358 0.395 1.00 0.00 O ATOM 0 H ASP A 38 4.815 -10.921 -0.513 1.00 0.00 H new ATOM 0 HA ASP A 38 2.224 -11.816 -0.970 1.00 0.00 H new ATOM 0 HB2 ASP A 38 4.244 -13.127 -1.443 1.00 0.00 H new ATOM 0 HB3 ASP A 38 4.634 -13.208 0.264 1.00 0.00 H new ATOM 563 N ARG A 39 3.051 -11.713 2.220 1.00 0.00 N ATOM 564 CA ARG A 39 2.511 -11.758 3.573 1.00 0.00 C ATOM 565 C ARG A 39 1.500 -10.637 3.793 1.00 0.00 C ATOM 566 O ARG A 39 0.388 -10.874 4.267 1.00 0.00 O ATOM 567 CB ARG A 39 3.641 -11.649 4.599 1.00 0.00 C ATOM 568 CG ARG A 39 4.303 -12.979 4.920 1.00 0.00 C ATOM 569 CD ARG A 39 5.733 -12.788 5.400 1.00 0.00 C ATOM 570 NE ARG A 39 5.811 -11.871 6.534 1.00 0.00 N ATOM 571 CZ ARG A 39 6.921 -11.233 6.888 1.00 0.00 C ATOM 572 NH1 ARG A 39 8.041 -11.411 6.200 1.00 0.00 N ATOM 573 NH2 ARG A 39 6.913 -10.414 7.932 1.00 0.00 N ATOM 0 H ARG A 39 4.038 -11.461 2.168 1.00 0.00 H new ATOM 0 HA ARG A 39 2.002 -12.713 3.703 1.00 0.00 H new ATOM 0 HB2 ARG A 39 4.396 -10.958 4.223 1.00 0.00 H new ATOM 0 HB3 ARG A 39 3.245 -11.219 5.519 1.00 0.00 H new ATOM 0 HG2 ARG A 39 3.727 -13.498 5.686 1.00 0.00 H new ATOM 0 HG3 ARG A 39 4.297 -13.613 4.033 1.00 0.00 H new ATOM 0 HD2 ARG A 39 6.152 -13.753 5.685 1.00 0.00 H new ATOM 0 HD3 ARG A 39 6.342 -12.405 4.581 1.00 0.00 H new ATOM 0 HE ARG A 39 4.967 -11.712 7.084 1.00 0.00 H new ATOM 0 HH11 ARG A 39 8.052 -12.039 5.397 1.00 0.00 H new ATOM 0 HH12 ARG A 39 8.892 -10.920 6.474 1.00 0.00 H new ATOM 0 HH21 ARG A 39 6.054 -10.274 8.464 1.00 0.00 H new ATOM 0 HH22 ARG A 39 7.766 -9.925 8.203 1.00 0.00 H new ATOM 587 N LEU A 40 1.893 -9.417 3.447 1.00 0.00 N ATOM 588 CA LEU A 40 1.021 -8.258 3.607 1.00 0.00 C ATOM 589 C LEU A 40 -0.317 -8.483 2.910 1.00 0.00 C ATOM 590 O LEU A 40 -1.369 -8.113 3.431 1.00 0.00 O ATOM 591 CB LEU A 40 1.697 -7.005 3.047 1.00 0.00 C ATOM 592 CG LEU A 40 2.895 -6.478 3.837 1.00 0.00 C ATOM 593 CD1 LEU A 40 3.665 -5.454 3.019 1.00 0.00 C ATOM 594 CD2 LEU A 40 2.438 -5.874 5.157 1.00 0.00 C ATOM 0 H LEU A 40 2.810 -9.204 3.054 1.00 0.00 H new ATOM 0 HA LEU A 40 0.836 -8.118 4.672 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.024 -7.217 2.029 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.952 -6.212 2.984 1.00 0.00 H new ATOM 0 HG LEU A 40 3.560 -7.314 4.053 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.514 -5.090 3.598 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.024 -5.918 2.100 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.010 -4.619 2.772 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.303 -5.504 5.707 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.752 -5.050 4.962 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.931 -6.636 5.749 1.00 0.00 H new ATOM 606 N ARG A 41 -0.269 -9.094 1.731 1.00 0.00 N ATOM 607 CA ARG A 41 -1.477 -9.369 0.963 1.00 0.00 C ATOM 608 C ARG A 41 -2.540 -10.026 1.839 1.00 0.00 C ATOM 609 O ARG A 41 -3.732 -9.965 1.537 1.00 0.00 O ATOM 610 CB ARG A 41 -1.154 -10.272 -0.229 1.00 0.00 C ATOM 611 CG ARG A 41 -0.586 -9.523 -1.424 1.00 0.00 C ATOM 612 CD ARG A 41 -0.494 -10.418 -2.650 1.00 0.00 C ATOM 613 NE ARG A 41 -1.572 -11.403 -2.690 1.00 0.00 N ATOM 614 CZ ARG A 41 -1.531 -12.564 -2.047 1.00 0.00 C ATOM 615 NH1 ARG A 41 -0.471 -12.884 -1.317 1.00 0.00 N ATOM 616 NH2 ARG A 41 -2.551 -13.408 -2.132 1.00 0.00 N ATOM 0 H ARG A 41 0.594 -9.408 1.287 1.00 0.00 H new ATOM 0 HA ARG A 41 -1.868 -8.420 0.596 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -0.440 -11.033 0.085 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -2.061 -10.794 -0.535 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -1.215 -8.662 -1.647 1.00 0.00 H new ATOM 0 HG3 ARG A 41 0.404 -9.139 -1.177 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -0.530 -9.805 -3.550 1.00 0.00 H new ATOM 0 HD3 ARG A 41 0.467 -10.932 -2.652 1.00 0.00 H new ATOM 0 HE ARG A 41 -2.402 -11.187 -3.242 1.00 0.00 H new ATOM 0 HH11 ARG A 41 0.315 -12.238 -1.249 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -0.442 -13.776 -0.824 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -3.368 -13.165 -2.692 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -2.518 -14.299 -1.637 1.00 0.00 H new ATOM 630 N SER A 42 -2.099 -10.653 2.925 1.00 0.00 N ATOM 631 CA SER A 42 -3.012 -11.325 3.843 1.00 0.00 C ATOM 632 C SER A 42 -3.842 -10.310 4.623 1.00 0.00 C ATOM 633 O SER A 42 -5.071 -10.371 4.629 1.00 0.00 O ATOM 634 CB SER A 42 -2.231 -12.215 4.811 1.00 0.00 C ATOM 635 OG SER A 42 -1.474 -13.188 4.112 1.00 0.00 O ATOM 0 H SER A 42 -1.116 -10.710 3.191 1.00 0.00 H new ATOM 0 HA SER A 42 -3.688 -11.946 3.255 1.00 0.00 H new ATOM 0 HB2 SER A 42 -1.567 -11.601 5.419 1.00 0.00 H new ATOM 0 HB3 SER A 42 -2.922 -12.709 5.494 1.00 0.00 H new ATOM 0 HG SER A 42 -0.592 -12.821 3.893 1.00 0.00 H new ATOM 641 N GLU A 43 -3.159 -9.378 5.282 1.00 0.00 N ATOM 642 CA GLU A 43 -3.833 -8.351 6.067 1.00 0.00 C ATOM 643 C GLU A 43 -4.503 -7.323 5.158 1.00 0.00 C ATOM 644 O GLU A 43 -5.667 -6.972 5.351 1.00 0.00 O ATOM 645 CB GLU A 43 -2.838 -7.653 6.997 1.00 0.00 C ATOM 646 CG GLU A 43 -2.029 -8.614 7.852 1.00 0.00 C ATOM 647 CD GLU A 43 -1.567 -7.987 9.154 1.00 0.00 C ATOM 648 OE1 GLU A 43 -1.517 -6.742 9.229 1.00 0.00 O ATOM 649 OE2 GLU A 43 -1.255 -8.744 10.097 1.00 0.00 O ATOM 0 H GLU A 43 -2.141 -9.314 5.287 1.00 0.00 H new ATOM 0 HA GLU A 43 -4.602 -8.836 6.668 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -2.156 -7.049 6.398 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -3.381 -6.969 7.649 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -2.632 -9.496 8.071 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -1.160 -8.954 7.288 1.00 0.00 H new ATOM 656 N THR A 44 -3.758 -6.844 4.167 1.00 0.00 N ATOM 657 CA THR A 44 -4.277 -5.857 3.229 1.00 0.00 C ATOM 658 C THR A 44 -5.333 -6.468 2.315 1.00 0.00 C ATOM 659 O THR A 44 -6.237 -5.777 1.844 1.00 0.00 O ATOM 660 CB THR A 44 -3.152 -5.256 2.366 1.00 0.00 C ATOM 661 OG1 THR A 44 -2.446 -6.300 1.686 1.00 0.00 O ATOM 662 CG2 THR A 44 -2.182 -4.455 3.221 1.00 0.00 C ATOM 0 H THR A 44 -2.793 -7.124 3.993 1.00 0.00 H new ATOM 0 HA THR A 44 -4.731 -5.064 3.824 1.00 0.00 H new ATOM 0 HB THR A 44 -3.604 -4.586 1.634 1.00 0.00 H new ATOM 0 HG1 THR A 44 -2.089 -6.934 2.342 1.00 0.00 H new ATOM 0 HG21 THR A 44 -1.397 -4.041 2.589 1.00 0.00 H new ATOM 0 HG22 THR A 44 -2.717 -3.643 3.714 1.00 0.00 H new ATOM 0 HG23 THR A 44 -1.737 -5.106 3.973 1.00 0.00 H new ATOM 670 N LYS A 45 -5.213 -7.768 2.067 1.00 0.00 N ATOM 671 CA LYS A 45 -6.158 -8.474 1.210 1.00 0.00 C ATOM 672 C LYS A 45 -6.153 -7.893 -0.200 1.00 0.00 C ATOM 673 O LYS A 45 -7.182 -7.867 -0.874 1.00 0.00 O ATOM 674 CB LYS A 45 -7.568 -8.397 1.800 1.00 0.00 C ATOM 675 CG LYS A 45 -7.710 -9.111 3.133 1.00 0.00 C ATOM 676 CD LYS A 45 -7.805 -10.617 2.951 1.00 0.00 C ATOM 677 CE LYS A 45 -8.584 -11.267 4.085 1.00 0.00 C ATOM 678 NZ LYS A 45 -7.845 -11.199 5.376 1.00 0.00 N ATOM 0 H LYS A 45 -4.470 -8.354 2.448 1.00 0.00 H new ATOM 0 HA LYS A 45 -5.850 -9.518 1.154 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -7.843 -7.350 1.927 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -8.274 -8.828 1.090 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -6.856 -8.873 3.767 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -8.600 -8.749 3.648 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -8.290 -10.840 2.000 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -6.803 -11.043 2.905 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -9.549 -10.772 4.193 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -8.786 -12.309 3.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -7.862 -12.132 5.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -6.859 -10.919 5.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -8.297 -10.498 5.998 1.00 0.00 H new ATOM 692 N MET A 46 -4.988 -7.429 -0.640 1.00 0.00 N ATOM 693 CA MET A 46 -4.849 -6.852 -1.972 1.00 0.00 C ATOM 694 C MET A 46 -3.850 -7.646 -2.808 1.00 0.00 C ATOM 695 O MET A 46 -3.313 -8.658 -2.357 1.00 0.00 O ATOM 696 CB MET A 46 -4.403 -5.392 -1.874 1.00 0.00 C ATOM 697 CG MET A 46 -5.363 -4.515 -1.086 1.00 0.00 C ATOM 698 SD MET A 46 -5.312 -2.788 -1.605 1.00 0.00 S ATOM 699 CE MET A 46 -3.608 -2.375 -1.237 1.00 0.00 C ATOM 0 H MET A 46 -4.127 -7.441 -0.094 1.00 0.00 H new ATOM 0 HA MET A 46 -5.821 -6.896 -2.463 1.00 0.00 H new ATOM 0 HB2 MET A 46 -3.419 -5.352 -1.406 1.00 0.00 H new ATOM 0 HB3 MET A 46 -4.294 -4.985 -2.880 1.00 0.00 H new ATOM 0 HG2 MET A 46 -6.377 -4.896 -1.204 1.00 0.00 H new ATOM 0 HG3 MET A 46 -5.120 -4.579 -0.025 1.00 0.00 H new ATOM 0 HE1 MET A 46 -3.448 -1.310 -1.403 1.00 0.00 H new ATOM 0 HE2 MET A 46 -3.392 -2.617 -0.196 1.00 0.00 H new ATOM 0 HE3 MET A 46 -2.946 -2.947 -1.887 1.00 0.00 H new ATOM 709 N THR A 47 -3.606 -7.181 -4.029 1.00 0.00 N ATOM 710 CA THR A 47 -2.673 -7.848 -4.928 1.00 0.00 C ATOM 711 C THR A 47 -1.393 -7.036 -5.094 1.00 0.00 C ATOM 712 O THR A 47 -1.382 -5.825 -4.873 1.00 0.00 O ATOM 713 CB THR A 47 -3.300 -8.084 -6.315 1.00 0.00 C ATOM 714 OG1 THR A 47 -3.600 -6.830 -6.937 1.00 0.00 O ATOM 715 CG2 THR A 47 -4.570 -8.915 -6.200 1.00 0.00 C ATOM 0 H THR A 47 -4.042 -6.345 -4.418 1.00 0.00 H new ATOM 0 HA THR A 47 -2.434 -8.811 -4.477 1.00 0.00 H new ATOM 0 HB THR A 47 -2.581 -8.629 -6.926 1.00 0.00 H new ATOM 0 HG1 THR A 47 -3.997 -6.989 -7.819 1.00 0.00 H new ATOM 0 HG21 THR A 47 -4.995 -9.069 -7.192 1.00 0.00 H new ATOM 0 HG22 THR A 47 -4.334 -9.881 -5.753 1.00 0.00 H new ATOM 0 HG23 THR A 47 -5.292 -8.392 -5.573 1.00 0.00 H new ATOM 723 N ARG A 48 -0.316 -7.711 -5.484 1.00 0.00 N ATOM 724 CA ARG A 48 0.969 -7.052 -5.678 1.00 0.00 C ATOM 725 C ARG A 48 0.782 -5.661 -6.277 1.00 0.00 C ATOM 726 O ARG A 48 1.216 -4.663 -5.701 1.00 0.00 O ATOM 727 CB ARG A 48 1.866 -7.894 -6.588 1.00 0.00 C ATOM 728 CG ARG A 48 2.731 -8.891 -5.837 1.00 0.00 C ATOM 729 CD ARG A 48 1.918 -9.684 -4.826 1.00 0.00 C ATOM 730 NE ARG A 48 1.130 -10.737 -5.462 1.00 0.00 N ATOM 731 CZ ARG A 48 1.659 -11.838 -5.983 1.00 0.00 C ATOM 732 NH1 ARG A 48 2.971 -12.029 -5.944 1.00 0.00 N ATOM 733 NH2 ARG A 48 0.877 -12.750 -6.545 1.00 0.00 N ATOM 0 H ARG A 48 -0.309 -8.714 -5.672 1.00 0.00 H new ATOM 0 HA ARG A 48 1.446 -6.948 -4.704 1.00 0.00 H new ATOM 0 HB2 ARG A 48 1.242 -8.432 -7.301 1.00 0.00 H new ATOM 0 HB3 ARG A 48 2.510 -7.230 -7.165 1.00 0.00 H new ATOM 0 HG2 ARG A 48 3.199 -9.574 -6.546 1.00 0.00 H new ATOM 0 HG3 ARG A 48 3.535 -8.363 -5.325 1.00 0.00 H new ATOM 0 HD2 ARG A 48 2.588 -10.127 -4.090 1.00 0.00 H new ATOM 0 HD3 ARG A 48 1.253 -9.010 -4.286 1.00 0.00 H new ATOM 0 HE ARG A 48 0.118 -10.620 -5.508 1.00 0.00 H new ATOM 0 HH11 ARG A 48 3.576 -11.330 -5.513 1.00 0.00 H new ATOM 0 HH12 ARG A 48 3.375 -12.875 -6.345 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -0.132 -12.606 -6.577 1.00 0.00 H new ATOM 0 HH22 ARG A 48 1.285 -13.595 -6.945 1.00 0.00 H new ATOM 747 N ARG A 49 0.134 -5.603 -7.436 1.00 0.00 N ATOM 748 CA ARG A 49 -0.109 -4.335 -8.113 1.00 0.00 C ATOM 749 C ARG A 49 -0.715 -3.314 -7.154 1.00 0.00 C ATOM 750 O ARG A 49 -0.094 -2.299 -6.842 1.00 0.00 O ATOM 751 CB ARG A 49 -1.040 -4.542 -9.309 1.00 0.00 C ATOM 752 CG ARG A 49 -0.948 -3.439 -10.351 1.00 0.00 C ATOM 753 CD ARG A 49 -1.680 -3.817 -11.629 1.00 0.00 C ATOM 754 NE ARG A 49 -0.847 -4.620 -12.521 1.00 0.00 N ATOM 755 CZ ARG A 49 -1.181 -4.911 -13.773 1.00 0.00 C ATOM 756 NH1 ARG A 49 -2.323 -4.468 -14.279 1.00 0.00 N ATOM 757 NH2 ARG A 49 -0.370 -5.647 -14.522 1.00 0.00 N ATOM 0 H ARG A 49 -0.232 -6.419 -7.926 1.00 0.00 H new ATOM 0 HA ARG A 49 0.848 -3.952 -8.468 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -0.805 -5.496 -9.781 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -2.068 -4.608 -8.952 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -1.371 -2.519 -9.947 1.00 0.00 H new ATOM 0 HG3 ARG A 49 0.099 -3.237 -10.576 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -2.583 -4.373 -11.378 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -1.997 -2.911 -12.147 1.00 0.00 H new ATOM 0 HE ARG A 49 0.039 -4.976 -12.163 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -2.949 -3.901 -13.706 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -2.576 -4.694 -15.241 1.00 0.00 H new ATOM 0 HH21 ARG A 49 0.510 -5.989 -14.136 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -0.627 -5.871 -15.484 1.00 0.00 H new ATOM 771 N GLU A 50 -1.930 -3.592 -6.692 1.00 0.00 N ATOM 772 CA GLU A 50 -2.619 -2.696 -5.770 1.00 0.00 C ATOM 773 C GLU A 50 -1.657 -2.155 -4.716 1.00 0.00 C ATOM 774 O GLU A 50 -1.493 -0.943 -4.575 1.00 0.00 O ATOM 775 CB GLU A 50 -3.781 -3.423 -5.091 1.00 0.00 C ATOM 776 CG GLU A 50 -4.956 -3.690 -6.016 1.00 0.00 C ATOM 777 CD GLU A 50 -5.970 -2.563 -6.011 1.00 0.00 C ATOM 778 OE1 GLU A 50 -6.033 -1.825 -5.006 1.00 0.00 O ATOM 779 OE2 GLU A 50 -6.701 -2.419 -7.014 1.00 0.00 O ATOM 0 H GLU A 50 -2.457 -4.429 -6.940 1.00 0.00 H new ATOM 0 HA GLU A 50 -3.011 -1.856 -6.344 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -3.421 -4.371 -4.691 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.124 -2.830 -4.244 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -4.588 -3.838 -7.031 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -5.446 -4.616 -5.716 1.00 0.00 H new ATOM 786 N ILE A 51 -1.024 -3.062 -3.980 1.00 0.00 N ATOM 787 CA ILE A 51 -0.079 -2.677 -2.940 1.00 0.00 C ATOM 788 C ILE A 51 1.026 -1.790 -3.503 1.00 0.00 C ATOM 789 O ILE A 51 1.141 -0.618 -3.142 1.00 0.00 O ATOM 790 CB ILE A 51 0.558 -3.910 -2.272 1.00 0.00 C ATOM 791 CG1 ILE A 51 -0.525 -4.808 -1.671 1.00 0.00 C ATOM 792 CG2 ILE A 51 1.551 -3.480 -1.203 1.00 0.00 C ATOM 793 CD1 ILE A 51 -0.009 -6.156 -1.216 1.00 0.00 C ATOM 0 H ILE A 51 -1.149 -4.069 -4.085 1.00 0.00 H new ATOM 0 HA ILE A 51 -0.643 -2.120 -2.192 1.00 0.00 H new ATOM 0 HB ILE A 51 1.095 -4.479 -3.031 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -0.980 -4.297 -0.822 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -1.311 -4.960 -2.410 1.00 0.00 H new ATOM 0 HG21 ILE A 51 1.992 -4.363 -0.740 1.00 0.00 H new ATOM 0 HG22 ILE A 51 2.337 -2.877 -1.658 1.00 0.00 H new ATOM 0 HG23 ILE A 51 1.036 -2.892 -0.444 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -0.831 -6.739 -0.801 1.00 0.00 H new ATOM 0 HD12 ILE A 51 0.420 -6.687 -2.066 1.00 0.00 H new ATOM 0 HD13 ILE A 51 0.756 -6.014 -0.453 1.00 0.00 H new ATOM 805 N ASP A 52 1.837 -2.356 -4.390 1.00 0.00 N ATOM 806 CA ASP A 52 2.932 -1.616 -5.006 1.00 0.00 C ATOM 807 C ASP A 52 2.544 -0.158 -5.231 1.00 0.00 C ATOM 808 O ASP A 52 3.284 0.755 -4.866 1.00 0.00 O ATOM 809 CB ASP A 52 3.329 -2.262 -6.334 1.00 0.00 C ATOM 810 CG ASP A 52 4.696 -1.814 -6.811 1.00 0.00 C ATOM 811 OD1 ASP A 52 5.696 -2.139 -6.137 1.00 0.00 O ATOM 812 OD2 ASP A 52 4.767 -1.138 -7.859 1.00 0.00 O ATOM 0 H ASP A 52 1.757 -3.325 -4.698 1.00 0.00 H new ATOM 0 HA ASP A 52 3.785 -1.646 -4.328 1.00 0.00 H new ATOM 0 HB2 ASP A 52 3.324 -3.346 -6.223 1.00 0.00 H new ATOM 0 HB3 ASP A 52 2.585 -2.016 -7.091 1.00 0.00 H new ATOM 817 N SER A 53 1.379 0.052 -5.836 1.00 0.00 N ATOM 818 CA SER A 53 0.895 1.399 -6.114 1.00 0.00 C ATOM 819 C SER A 53 0.778 2.211 -4.828 1.00 0.00 C ATOM 820 O SER A 53 1.210 3.362 -4.766 1.00 0.00 O ATOM 821 CB SER A 53 -0.462 1.341 -6.819 1.00 0.00 C ATOM 822 OG SER A 53 -0.873 2.630 -7.241 1.00 0.00 O ATOM 0 H SER A 53 0.753 -0.693 -6.143 1.00 0.00 H new ATOM 0 HA SER A 53 1.616 1.889 -6.768 1.00 0.00 H new ATOM 0 HB2 SER A 53 -0.400 0.676 -7.680 1.00 0.00 H new ATOM 0 HB3 SER A 53 -1.208 0.921 -6.145 1.00 0.00 H new ATOM 0 HG SER A 53 -1.742 2.566 -7.690 1.00 0.00 H new ATOM 828 N TRP A 54 0.189 1.603 -3.804 1.00 0.00 N ATOM 829 CA TRP A 54 0.014 2.269 -2.518 1.00 0.00 C ATOM 830 C TRP A 54 1.318 2.910 -2.055 1.00 0.00 C ATOM 831 O TRP A 54 1.361 4.103 -1.752 1.00 0.00 O ATOM 832 CB TRP A 54 -0.480 1.273 -1.468 1.00 0.00 C ATOM 833 CG TRP A 54 -0.680 1.886 -0.115 1.00 0.00 C ATOM 834 CD1 TRP A 54 -1.849 2.366 0.402 1.00 0.00 C ATOM 835 CD2 TRP A 54 0.319 2.087 0.891 1.00 0.00 C ATOM 836 NE1 TRP A 54 -1.638 2.853 1.670 1.00 0.00 N ATOM 837 CE2 TRP A 54 -0.316 2.693 1.993 1.00 0.00 C ATOM 838 CE3 TRP A 54 1.687 1.812 0.969 1.00 0.00 C ATOM 839 CZ2 TRP A 54 0.372 3.028 3.156 1.00 0.00 C ATOM 840 CZ3 TRP A 54 2.368 2.146 2.124 1.00 0.00 C ATOM 841 CH2 TRP A 54 1.710 2.748 3.205 1.00 0.00 C ATOM 0 H TRP A 54 -0.175 0.651 -3.839 1.00 0.00 H new ATOM 0 HA TRP A 54 -0.731 3.055 -2.642 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -1.421 0.838 -1.805 1.00 0.00 H new ATOM 0 HB3 TRP A 54 0.237 0.456 -1.386 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -2.800 2.363 -0.110 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -2.350 3.266 2.272 1.00 0.00 H new ATOM 0 HE3 TRP A 54 2.202 1.347 0.142 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -0.133 3.493 3.990 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 3.426 1.940 2.195 1.00 0.00 H new ATOM 0 HH2 TRP A 54 2.270 2.996 4.094 1.00 0.00 H new ATOM 852 N PHE A 55 2.379 2.112 -2.003 1.00 0.00 N ATOM 853 CA PHE A 55 3.685 2.602 -1.576 1.00 0.00 C ATOM 854 C PHE A 55 4.152 3.750 -2.466 1.00 0.00 C ATOM 855 O PHE A 55 4.315 4.880 -2.006 1.00 0.00 O ATOM 856 CB PHE A 55 4.712 1.469 -1.604 1.00 0.00 C ATOM 857 CG PHE A 55 4.620 0.547 -0.422 1.00 0.00 C ATOM 858 CD1 PHE A 55 5.245 0.866 0.773 1.00 0.00 C ATOM 859 CD2 PHE A 55 3.909 -0.639 -0.506 1.00 0.00 C ATOM 860 CE1 PHE A 55 5.162 0.020 1.863 1.00 0.00 C ATOM 861 CE2 PHE A 55 3.822 -1.489 0.581 1.00 0.00 C ATOM 862 CZ PHE A 55 4.450 -1.159 1.766 1.00 0.00 C ATOM 0 H PHE A 55 2.360 1.123 -2.251 1.00 0.00 H new ATOM 0 HA PHE A 55 3.591 2.972 -0.555 1.00 0.00 H new ATOM 0 HB2 PHE A 55 4.577 0.890 -2.518 1.00 0.00 H new ATOM 0 HB3 PHE A 55 5.713 1.898 -1.643 1.00 0.00 H new ATOM 0 HD1 PHE A 55 5.804 1.787 0.854 1.00 0.00 H new ATOM 0 HD2 PHE A 55 3.417 -0.903 -1.431 1.00 0.00 H new ATOM 0 HE1 PHE A 55 5.653 0.281 2.789 1.00 0.00 H new ATOM 0 HE2 PHE A 55 3.263 -2.410 0.504 1.00 0.00 H new ATOM 0 HZ PHE A 55 4.384 -1.822 2.616 1.00 0.00 H new ATOM 872 N SER A 56 4.366 3.451 -3.744 1.00 0.00 N ATOM 873 CA SER A 56 4.820 4.456 -4.698 1.00 0.00 C ATOM 874 C SER A 56 4.057 5.764 -4.513 1.00 0.00 C ATOM 875 O SER A 56 4.555 6.838 -4.850 1.00 0.00 O ATOM 876 CB SER A 56 4.641 3.947 -6.130 1.00 0.00 C ATOM 877 OG SER A 56 5.491 4.640 -7.027 1.00 0.00 O ATOM 0 H SER A 56 4.232 2.521 -4.142 1.00 0.00 H new ATOM 0 HA SER A 56 5.878 4.643 -4.515 1.00 0.00 H new ATOM 0 HB2 SER A 56 4.858 2.880 -6.170 1.00 0.00 H new ATOM 0 HB3 SER A 56 3.603 4.073 -6.437 1.00 0.00 H new ATOM 0 HG SER A 56 5.359 4.296 -7.935 1.00 0.00 H new ATOM 883 N GLU A 57 2.846 5.665 -3.974 1.00 0.00 N ATOM 884 CA GLU A 57 2.014 6.840 -3.744 1.00 0.00 C ATOM 885 C GLU A 57 2.181 7.355 -2.317 1.00 0.00 C ATOM 886 O GLU A 57 2.071 8.554 -2.061 1.00 0.00 O ATOM 887 CB GLU A 57 0.544 6.512 -4.011 1.00 0.00 C ATOM 888 CG GLU A 57 0.128 6.710 -5.459 1.00 0.00 C ATOM 889 CD GLU A 57 -0.346 8.122 -5.742 1.00 0.00 C ATOM 890 OE1 GLU A 57 0.512 9.019 -5.881 1.00 0.00 O ATOM 891 OE2 GLU A 57 -1.574 8.331 -5.824 1.00 0.00 O ATOM 0 H GLU A 57 2.419 4.784 -3.689 1.00 0.00 H new ATOM 0 HA GLU A 57 2.335 7.621 -4.433 1.00 0.00 H new ATOM 0 HB2 GLU A 57 0.354 5.477 -3.726 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -0.081 7.138 -3.374 1.00 0.00 H new ATOM 0 HG2 GLU A 57 0.970 6.476 -6.110 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -0.669 6.007 -5.704 1.00 0.00 H new ATOM 898 N ARG A 58 2.446 6.438 -1.392 1.00 0.00 N ATOM 899 CA ARG A 58 2.627 6.798 0.010 1.00 0.00 C ATOM 900 C ARG A 58 4.037 7.324 0.259 1.00 0.00 C ATOM 901 O ARG A 58 4.218 8.446 0.731 1.00 0.00 O ATOM 902 CB ARG A 58 2.355 5.590 0.908 1.00 0.00 C ATOM 903 CG ARG A 58 2.719 5.820 2.365 1.00 0.00 C ATOM 904 CD ARG A 58 1.785 6.824 3.021 1.00 0.00 C ATOM 905 NE ARG A 58 2.345 7.369 4.255 1.00 0.00 N ATOM 906 CZ ARG A 58 1.677 8.174 5.073 1.00 0.00 C ATOM 907 NH1 ARG A 58 0.431 8.527 4.789 1.00 0.00 N ATOM 908 NH2 ARG A 58 2.255 8.629 6.177 1.00 0.00 N ATOM 0 H ARG A 58 2.540 5.441 -1.588 1.00 0.00 H new ATOM 0 HA ARG A 58 1.916 7.588 0.251 1.00 0.00 H new ATOM 0 HB2 ARG A 58 1.298 5.330 0.843 1.00 0.00 H new ATOM 0 HB3 ARG A 58 2.917 4.735 0.533 1.00 0.00 H new ATOM 0 HG2 ARG A 58 2.676 4.874 2.905 1.00 0.00 H new ATOM 0 HG3 ARG A 58 3.746 6.179 2.432 1.00 0.00 H new ATOM 0 HD2 ARG A 58 1.581 7.638 2.325 1.00 0.00 H new ATOM 0 HD3 ARG A 58 0.831 6.344 3.237 1.00 0.00 H new ATOM 0 HE ARG A 58 3.302 7.117 4.502 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -0.017 8.180 3.941 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -0.080 9.145 5.419 1.00 0.00 H new ATOM 0 HH21 ARG A 58 3.214 8.361 6.398 1.00 0.00 H new ATOM 0 HH22 ARG A 58 1.741 9.247 6.804 1.00 0.00 H new ATOM 922 N ARG A 59 5.034 6.504 -0.061 1.00 0.00 N ATOM 923 CA ARG A 59 6.428 6.886 0.130 1.00 0.00 C ATOM 924 C ARG A 59 6.696 8.273 -0.446 1.00 0.00 C ATOM 925 O ARG A 59 7.584 8.988 0.016 1.00 0.00 O ATOM 926 CB ARG A 59 7.354 5.861 -0.528 1.00 0.00 C ATOM 927 CG ARG A 59 7.533 6.072 -2.022 1.00 0.00 C ATOM 928 CD ARG A 59 8.585 5.136 -2.595 1.00 0.00 C ATOM 929 NE ARG A 59 8.640 5.202 -4.053 1.00 0.00 N ATOM 930 CZ ARG A 59 9.642 4.709 -4.774 1.00 0.00 C ATOM 931 NH1 ARG A 59 10.666 4.118 -4.174 1.00 0.00 N ATOM 932 NH2 ARG A 59 9.620 4.808 -6.097 1.00 0.00 N ATOM 0 H ARG A 59 4.902 5.572 -0.453 1.00 0.00 H new ATOM 0 HA ARG A 59 6.628 6.912 1.201 1.00 0.00 H new ATOM 0 HB2 ARG A 59 8.330 5.903 -0.044 1.00 0.00 H new ATOM 0 HB3 ARG A 59 6.956 4.861 -0.356 1.00 0.00 H new ATOM 0 HG2 ARG A 59 6.583 5.908 -2.530 1.00 0.00 H new ATOM 0 HG3 ARG A 59 7.822 7.106 -2.212 1.00 0.00 H new ATOM 0 HD2 ARG A 59 9.561 5.392 -2.183 1.00 0.00 H new ATOM 0 HD3 ARG A 59 8.367 4.114 -2.286 1.00 0.00 H new ATOM 0 HE ARG A 59 7.867 5.651 -4.545 1.00 0.00 H new ATOM 0 HH11 ARG A 59 10.686 4.041 -3.157 1.00 0.00 H new ATOM 0 HH12 ARG A 59 11.434 3.740 -4.729 1.00 0.00 H new ATOM 0 HH21 ARG A 59 8.834 5.263 -6.561 1.00 0.00 H new ATOM 0 HH22 ARG A 59 10.389 4.429 -6.650 1.00 0.00 H new ATOM 946 N LYS A 60 5.921 8.646 -1.459 1.00 0.00 N ATOM 947 CA LYS A 60 6.073 9.947 -2.100 1.00 0.00 C ATOM 948 C LYS A 60 5.272 11.014 -1.361 1.00 0.00 C ATOM 949 O LYS A 60 5.595 12.201 -1.421 1.00 0.00 O ATOM 950 CB LYS A 60 5.622 9.876 -3.560 1.00 0.00 C ATOM 951 CG LYS A 60 4.116 9.776 -3.727 1.00 0.00 C ATOM 952 CD LYS A 60 3.655 10.417 -5.026 1.00 0.00 C ATOM 953 CE LYS A 60 4.285 9.743 -6.234 1.00 0.00 C ATOM 954 NZ LYS A 60 3.506 8.553 -6.675 1.00 0.00 N ATOM 0 H LYS A 60 5.181 8.065 -1.854 1.00 0.00 H new ATOM 0 HA LYS A 60 7.128 10.220 -2.065 1.00 0.00 H new ATOM 0 HB2 LYS A 60 5.979 10.762 -4.085 1.00 0.00 H new ATOM 0 HB3 LYS A 60 6.090 9.013 -4.035 1.00 0.00 H new ATOM 0 HG2 LYS A 60 3.816 8.728 -3.711 1.00 0.00 H new ATOM 0 HG3 LYS A 60 3.623 10.262 -2.885 1.00 0.00 H new ATOM 0 HD2 LYS A 60 2.569 10.355 -5.098 1.00 0.00 H new ATOM 0 HD3 LYS A 60 3.914 11.476 -5.022 1.00 0.00 H new ATOM 0 HE2 LYS A 60 4.352 10.457 -7.054 1.00 0.00 H new ATOM 0 HE3 LYS A 60 5.304 9.440 -5.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 3.547 8.476 -7.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 3.911 7.695 -6.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 2.516 8.655 -6.374 1.00 0.00 H new ATOM 968 N LYS A 61 4.226 10.585 -0.663 1.00 0.00 N ATOM 969 CA LYS A 61 3.380 11.502 0.091 1.00 0.00 C ATOM 970 C LYS A 61 4.128 12.070 1.293 1.00 0.00 C ATOM 971 O LYS A 61 3.978 13.244 1.633 1.00 0.00 O ATOM 972 CB LYS A 61 2.109 10.789 0.558 1.00 0.00 C ATOM 973 CG LYS A 61 0.977 11.736 0.917 1.00 0.00 C ATOM 974 CD LYS A 61 -0.310 10.981 1.207 1.00 0.00 C ATOM 975 CE LYS A 61 -1.389 11.908 1.746 1.00 0.00 C ATOM 976 NZ LYS A 61 -2.391 11.173 2.567 1.00 0.00 N ATOM 0 H LYS A 61 3.944 9.607 -0.604 1.00 0.00 H new ATOM 0 HA LYS A 61 3.106 12.327 -0.567 1.00 0.00 H new ATOM 0 HB2 LYS A 61 1.771 10.114 -0.229 1.00 0.00 H new ATOM 0 HB3 LYS A 61 2.346 10.174 1.426 1.00 0.00 H new ATOM 0 HG2 LYS A 61 1.258 12.327 1.789 1.00 0.00 H new ATOM 0 HG3 LYS A 61 0.813 12.436 0.098 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -0.664 10.499 0.296 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -0.114 10.189 1.930 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -0.928 12.690 2.349 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -1.892 12.402 0.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -3.109 11.839 2.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -2.849 10.443 1.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -1.915 10.723 3.375 1.00 0.00 H new ATOM 990 N VAL A 62 4.935 11.230 1.933 1.00 0.00 N ATOM 991 CA VAL A 62 5.709 11.649 3.095 1.00 0.00 C ATOM 992 C VAL A 62 6.700 12.748 2.729 1.00 0.00 C ATOM 993 O VAL A 62 6.985 13.634 3.533 1.00 0.00 O ATOM 994 CB VAL A 62 6.477 10.466 3.714 1.00 0.00 C ATOM 995 CG1 VAL A 62 7.169 10.893 5.000 1.00 0.00 C ATOM 996 CG2 VAL A 62 5.539 9.296 3.967 1.00 0.00 C ATOM 0 H VAL A 62 5.070 10.255 1.666 1.00 0.00 H new ATOM 0 HA VAL A 62 4.998 12.034 3.826 1.00 0.00 H new ATOM 0 HB VAL A 62 7.242 10.143 3.008 1.00 0.00 H new ATOM 0 HG11 VAL A 62 7.706 10.044 5.423 1.00 0.00 H new ATOM 0 HG12 VAL A 62 7.872 11.697 4.785 1.00 0.00 H new ATOM 0 HG13 VAL A 62 6.424 11.244 5.715 1.00 0.00 H new ATOM 0 HG21 VAL A 62 6.098 8.469 4.404 1.00 0.00 H new ATOM 0 HG22 VAL A 62 4.750 9.604 4.653 1.00 0.00 H new ATOM 0 HG23 VAL A 62 5.095 8.975 3.025 1.00 0.00 H new ATOM 1006 N ASN A 63 7.221 12.684 1.508 1.00 0.00 N ATOM 1007 CA ASN A 63 8.181 13.675 1.034 1.00 0.00 C ATOM 1008 C ASN A 63 7.506 15.025 0.815 1.00 0.00 C ATOM 1009 O ASN A 63 8.093 16.074 1.078 1.00 0.00 O ATOM 1010 CB ASN A 63 8.833 13.202 -0.267 1.00 0.00 C ATOM 1011 CG ASN A 63 9.652 14.291 -0.932 1.00 0.00 C ATOM 1012 OD1 ASN A 63 10.835 14.460 -0.639 1.00 0.00 O ATOM 1013 ND2 ASN A 63 9.023 15.036 -1.834 1.00 0.00 N ATOM 0 H ASN A 63 6.995 11.957 0.829 1.00 0.00 H new ATOM 0 HA ASN A 63 8.950 13.793 1.797 1.00 0.00 H new ATOM 0 HB2 ASN A 63 9.474 12.345 -0.059 1.00 0.00 H new ATOM 0 HB3 ASN A 63 8.059 12.861 -0.955 1.00 0.00 H new ATOM 0 HD21 ASN A 63 9.522 15.784 -2.315 1.00 0.00 H new ATOM 0 HD22 ASN A 63 8.041 14.860 -2.045 1.00 0.00 H new ATOM 1020 N ALA A 64 6.268 14.991 0.334 1.00 0.00 N ATOM 1021 CA ALA A 64 5.511 16.211 0.082 1.00 0.00 C ATOM 1022 C ALA A 64 4.464 16.441 1.167 1.00 0.00 C ATOM 1023 O ALA A 64 3.342 16.858 0.880 1.00 0.00 O ATOM 1024 CB ALA A 64 4.851 16.150 -1.287 1.00 0.00 C ATOM 0 H ALA A 64 5.767 14.131 0.111 1.00 0.00 H new ATOM 0 HA ALA A 64 6.206 17.051 0.100 1.00 0.00 H new ATOM 0 HB1 ALA A 64 4.289 17.068 -1.461 1.00 0.00 H new ATOM 0 HB2 ALA A 64 5.616 16.042 -2.055 1.00 0.00 H new ATOM 0 HB3 ALA A 64 4.174 15.297 -1.327 1.00 0.00 H new ATOM 1030 N GLU A 65 4.839 16.167 2.412 1.00 0.00 N ATOM 1031 CA GLU A 65 3.930 16.343 3.539 1.00 0.00 C ATOM 1032 C GLU A 65 3.707 17.824 3.832 1.00 0.00 C ATOM 1033 O GLU A 65 4.496 18.673 3.419 1.00 0.00 O ATOM 1034 CB GLU A 65 4.482 15.643 4.783 1.00 0.00 C ATOM 1035 CG GLU A 65 3.408 15.223 5.772 1.00 0.00 C ATOM 1036 CD GLU A 65 3.974 14.484 6.969 1.00 0.00 C ATOM 1037 OE1 GLU A 65 4.781 13.553 6.765 1.00 0.00 O ATOM 1038 OE2 GLU A 65 3.611 14.838 8.110 1.00 0.00 O ATOM 0 H GLU A 65 5.765 15.823 2.666 1.00 0.00 H new ATOM 0 HA GLU A 65 2.973 15.895 3.274 1.00 0.00 H new ATOM 0 HB2 GLU A 65 5.044 14.762 4.474 1.00 0.00 H new ATOM 0 HB3 GLU A 65 5.184 16.310 5.283 1.00 0.00 H new ATOM 0 HG2 GLU A 65 2.871 16.107 6.116 1.00 0.00 H new ATOM 0 HG3 GLU A 65 2.683 14.586 5.266 1.00 0.00 H new ATOM 1045 N GLU A 66 2.628 18.124 4.547 1.00 0.00 N ATOM 1046 CA GLU A 66 2.301 19.502 4.894 1.00 0.00 C ATOM 1047 C GLU A 66 2.043 20.332 3.640 1.00 0.00 C ATOM 1048 O GLU A 66 2.615 21.409 3.465 1.00 0.00 O ATOM 1049 CB GLU A 66 3.434 20.128 5.710 1.00 0.00 C ATOM 1050 CG GLU A 66 3.327 19.865 7.203 1.00 0.00 C ATOM 1051 CD GLU A 66 3.513 18.401 7.551 1.00 0.00 C ATOM 1052 OE1 GLU A 66 4.674 17.941 7.583 1.00 0.00 O ATOM 1053 OE2 GLU A 66 2.498 17.716 7.794 1.00 0.00 O ATOM 0 H GLU A 66 1.966 17.432 4.897 1.00 0.00 H new ATOM 0 HA GLU A 66 1.392 19.493 5.496 1.00 0.00 H new ATOM 0 HB2 GLU A 66 4.387 19.741 5.349 1.00 0.00 H new ATOM 0 HB3 GLU A 66 3.442 21.204 5.539 1.00 0.00 H new ATOM 0 HG2 GLU A 66 4.077 20.458 7.727 1.00 0.00 H new ATOM 0 HG3 GLU A 66 2.352 20.198 7.558 1.00 0.00 H new ATOM 1060 N THR A 67 1.177 19.823 2.768 1.00 0.00 N ATOM 1061 CA THR A 67 0.844 20.516 1.530 1.00 0.00 C ATOM 1062 C THR A 67 -0.648 20.816 1.452 1.00 0.00 C ATOM 1063 O THR A 67 -1.056 21.865 0.953 1.00 0.00 O ATOM 1064 CB THR A 67 1.255 19.689 0.297 1.00 0.00 C ATOM 1065 OG1 THR A 67 2.678 19.534 0.263 1.00 0.00 O ATOM 1066 CG2 THR A 67 0.782 20.358 -0.985 1.00 0.00 C ATOM 0 H THR A 67 0.694 18.934 2.897 1.00 0.00 H new ATOM 0 HA THR A 67 1.400 21.453 1.532 1.00 0.00 H new ATOM 0 HB THR A 67 0.785 18.708 0.372 1.00 0.00 H new ATOM 0 HG1 THR A 67 2.911 18.607 0.478 1.00 0.00 H new ATOM 0 HG21 THR A 67 1.084 19.756 -1.842 1.00 0.00 H new ATOM 0 HG22 THR A 67 -0.304 20.448 -0.969 1.00 0.00 H new ATOM 0 HG23 THR A 67 1.227 21.350 -1.063 1.00 0.00 H new ATOM 1074 N LYS A 68 -1.460 19.888 1.949 1.00 0.00 N ATOM 1075 CA LYS A 68 -2.909 20.054 1.938 1.00 0.00 C ATOM 1076 C LYS A 68 -3.586 18.979 2.782 1.00 0.00 C ATOM 1077 O LYS A 68 -3.286 17.792 2.651 1.00 0.00 O ATOM 1078 CB LYS A 68 -3.438 19.999 0.503 1.00 0.00 C ATOM 1079 CG LYS A 68 -4.698 20.819 0.288 1.00 0.00 C ATOM 1080 CD LYS A 68 -5.916 20.138 0.889 1.00 0.00 C ATOM 1081 CE LYS A 68 -7.209 20.773 0.399 1.00 0.00 C ATOM 1082 NZ LYS A 68 -7.618 20.244 -0.931 1.00 0.00 N ATOM 0 H LYS A 68 -1.139 19.013 2.364 1.00 0.00 H new ATOM 0 HA LYS A 68 -3.142 21.028 2.368 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -2.663 20.355 -0.175 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -3.640 18.961 0.239 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -4.573 21.804 0.737 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -4.856 20.972 -0.780 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -5.908 19.080 0.629 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -5.869 20.199 1.976 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -8.002 20.587 1.123 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -7.082 21.854 0.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -8.503 20.702 -1.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -6.873 20.444 -1.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -7.764 19.216 -0.866 1.00 0.00 H new ATOM 1096 N LYS A 69 -4.501 19.401 3.647 1.00 0.00 N ATOM 1097 CA LYS A 69 -5.223 18.475 4.511 1.00 0.00 C ATOM 1098 C LYS A 69 -6.699 18.850 4.598 1.00 0.00 C ATOM 1099 O LYS A 69 -7.044 19.964 4.992 1.00 0.00 O ATOM 1100 CB LYS A 69 -4.606 18.465 5.912 1.00 0.00 C ATOM 1101 CG LYS A 69 -3.132 18.099 5.924 1.00 0.00 C ATOM 1102 CD LYS A 69 -2.705 17.549 7.275 1.00 0.00 C ATOM 1103 CE LYS A 69 -2.323 18.665 8.235 1.00 0.00 C ATOM 1104 NZ LYS A 69 -1.111 19.399 7.779 1.00 0.00 N ATOM 0 H LYS A 69 -4.761 20.380 3.769 1.00 0.00 H new ATOM 0 HA LYS A 69 -5.144 17.478 4.078 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -4.731 19.450 6.362 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -5.153 17.758 6.536 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -2.934 17.358 5.149 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -2.536 18.979 5.683 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -3.517 16.961 7.703 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -1.859 16.875 7.144 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -3.155 19.362 8.330 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -2.143 18.246 9.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -0.639 19.833 8.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -0.458 18.736 7.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -1.388 20.142 7.106 1.00 0.00 H new ATOM 1118 N SER A 70 -7.566 17.912 4.228 1.00 0.00 N ATOM 1119 CA SER A 70 -9.005 18.146 4.262 1.00 0.00 C ATOM 1120 C SER A 70 -9.764 16.834 4.442 1.00 0.00 C ATOM 1121 O SER A 70 -9.175 15.754 4.411 1.00 0.00 O ATOM 1122 CB SER A 70 -9.461 18.839 2.977 1.00 0.00 C ATOM 1123 OG SER A 70 -9.113 18.076 1.835 1.00 0.00 O ATOM 0 H SER A 70 -7.297 16.984 3.902 1.00 0.00 H new ATOM 0 HA SER A 70 -9.223 18.792 5.112 1.00 0.00 H new ATOM 0 HB2 SER A 70 -10.540 18.988 3.004 1.00 0.00 H new ATOM 0 HB3 SER A 70 -9.005 19.827 2.911 1.00 0.00 H new ATOM 0 HG SER A 70 -9.417 18.540 1.027 1.00 0.00 H new ATOM 1129 N GLY A 71 -11.076 16.938 4.631 1.00 0.00 N ATOM 1130 CA GLY A 71 -11.895 15.754 4.813 1.00 0.00 C ATOM 1131 C GLY A 71 -13.259 16.076 5.390 1.00 0.00 C ATOM 1132 O GLY A 71 -13.498 17.171 5.900 1.00 0.00 O ATOM 0 H GLY A 71 -11.586 17.821 4.661 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -12.019 15.251 3.854 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -11.379 15.057 5.474 1.00 0.00 H new ATOM 1136 N PRO A 72 -14.183 15.107 5.312 1.00 0.00 N ATOM 1137 CA PRO A 72 -15.547 15.270 5.824 1.00 0.00 C ATOM 1138 C PRO A 72 -15.591 15.323 7.347 1.00 0.00 C ATOM 1139 O PRO A 72 -14.606 15.013 8.018 1.00 0.00 O ATOM 1140 CB PRO A 72 -16.269 14.021 5.312 1.00 0.00 C ATOM 1141 CG PRO A 72 -15.192 13.009 5.128 1.00 0.00 C ATOM 1142 CD PRO A 72 -13.967 13.777 4.717 1.00 0.00 C ATOM 0 HA PRO A 72 -15.998 16.206 5.493 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -17.018 13.677 6.025 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -16.789 14.221 4.375 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -15.015 12.456 6.050 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -15.468 12.279 4.367 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -13.056 13.312 5.093 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -13.872 13.832 3.633 1.00 0.00 H new ATOM 1150 N SER A 73 -16.739 15.719 7.888 1.00 0.00 N ATOM 1151 CA SER A 73 -16.910 15.816 9.333 1.00 0.00 C ATOM 1152 C SER A 73 -17.180 14.444 9.942 1.00 0.00 C ATOM 1153 O SER A 73 -18.278 13.902 9.816 1.00 0.00 O ATOM 1154 CB SER A 73 -18.058 16.770 9.668 1.00 0.00 C ATOM 1155 OG SER A 73 -17.608 18.113 9.717 1.00 0.00 O ATOM 0 H SER A 73 -17.564 15.978 7.347 1.00 0.00 H new ATOM 0 HA SER A 73 -15.986 16.207 9.758 1.00 0.00 H new ATOM 0 HB2 SER A 73 -18.845 16.674 8.920 1.00 0.00 H new ATOM 0 HB3 SER A 73 -18.495 16.495 10.628 1.00 0.00 H new ATOM 0 HG SER A 73 -18.361 18.703 9.931 1.00 0.00 H new ATOM 1161 N SER A 74 -16.170 13.887 10.602 1.00 0.00 N ATOM 1162 CA SER A 74 -16.295 12.576 11.227 1.00 0.00 C ATOM 1163 C SER A 74 -15.843 12.624 12.684 1.00 0.00 C ATOM 1164 O SER A 74 -14.848 13.266 13.016 1.00 0.00 O ATOM 1165 CB SER A 74 -15.472 11.540 10.460 1.00 0.00 C ATOM 1166 OG SER A 74 -14.116 11.940 10.357 1.00 0.00 O ATOM 0 H SER A 74 -15.255 14.324 10.718 1.00 0.00 H new ATOM 0 HA SER A 74 -17.346 12.287 11.199 1.00 0.00 H new ATOM 0 HB2 SER A 74 -15.533 10.576 10.966 1.00 0.00 H new ATOM 0 HB3 SER A 74 -15.891 11.404 9.463 1.00 0.00 H new ATOM 0 HG SER A 74 -13.611 11.260 9.864 1.00 0.00 H new ATOM 1172 N GLY A 75 -16.583 11.938 13.550 1.00 0.00 N ATOM 1173 CA GLY A 75 -16.244 11.914 14.960 1.00 0.00 C ATOM 1174 C GLY A 75 -16.037 10.507 15.484 1.00 0.00 C ATOM 1175 O GLY A 75 -16.556 10.148 16.541 1.00 0.00 O ATOM 0 H GLY A 75 -17.412 11.398 13.299 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -15.336 12.496 15.122 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -17.038 12.397 15.529 1.00 0.00 H new TER 1179 GLY A 75