USER MOD reduce.3.24.130724 H: found=0, std=0, add=724, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 722 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 77 GLN : amide:sc= -1.14 X(o=-2.7,f=-2.5) USER MOD Set 1.2: A 78 SER OG : rot -33:sc= -1.55 USER MOD Set 2.1: A 76 GLN : amide:sc= 0.869 K(o=0.87,f=0) USER MOD Set 2.2: A 81 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 30 HIS : no HD1:sc= -0.969 K(o=-3.5,f=-2.9) USER MOD Set 3.2: A 41 MET CE :methyl -159:sc= -2.55 (180deg=-2.54!) USER MOD Single : A 1 GLY N :NH3+ -140:sc= 0.00968 (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 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 THR OG1 : rot 68:sc= 0.0439 USER MOD Single : A 39 THR OG1 : rot -160:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 153:sc= 0.692 (180deg=-0.666!) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= -0.641 K(o=-0.64,f=-1.2) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= -0.0134 X(o=-0.013,f=-0.28) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ -160:sc= -0.0523 (180deg=-0.37) USER MOD Single : A 65 LYS NZ :NH3+ -178:sc=0.000745 (180deg=0.000627) USER MOD Single : A 66 GLN : amide:sc= -4.33! C(o=-4.3!,f=-6.2!) USER MOD Single : A 67 GLN : amide:sc= -0.261 X(o=-0.26,f=-0.045) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 CYS SG : rot 180:sc= 0.0887 USER MOD Single : A 85 THR OG1 : rot 50:sc= 0.528 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 14.562 -10.510 -8.136 1.00 0.00 N ATOM 2 CA GLY A 1 13.947 -11.645 -7.472 1.00 0.00 C ATOM 3 C GLY A 1 12.548 -11.337 -6.975 1.00 0.00 C ATOM 4 O GLY A 1 11.785 -10.636 -7.639 1.00 0.00 O ATOM 0 H1 GLY A 1 15.089 -10.839 -8.970 1.00 0.00 H new ATOM 0 H2 GLY A 1 13.824 -9.841 -8.435 1.00 0.00 H new ATOM 0 H3 GLY A 1 15.214 -10.035 -7.480 1.00 0.00 H new ATOM 0 HA2 GLY A 1 13.907 -12.488 -8.162 1.00 0.00 H new ATOM 0 HA3 GLY A 1 14.569 -11.951 -6.631 1.00 0.00 H new ATOM 8 N SER A 2 12.210 -11.866 -5.802 1.00 0.00 N ATOM 9 CA SER A 2 10.892 -11.649 -5.218 1.00 0.00 C ATOM 10 C SER A 2 9.794 -11.902 -6.247 1.00 0.00 C ATOM 11 O SER A 2 8.841 -11.129 -6.357 1.00 0.00 O ATOM 12 CB SER A 2 10.779 -10.223 -4.675 1.00 0.00 C ATOM 13 OG SER A 2 11.822 -9.944 -3.756 1.00 0.00 O ATOM 0 H SER A 2 12.831 -12.447 -5.239 1.00 0.00 H new ATOM 0 HA SER A 2 10.766 -12.354 -4.396 1.00 0.00 H new ATOM 0 HB2 SER A 2 10.817 -9.512 -5.500 1.00 0.00 H new ATOM 0 HB3 SER A 2 9.814 -10.092 -4.186 1.00 0.00 H new ATOM 0 HG SER A 2 11.729 -9.027 -3.424 1.00 0.00 H new ATOM 19 N SER A 3 9.934 -12.988 -6.999 1.00 0.00 N ATOM 20 CA SER A 3 8.957 -13.341 -8.023 1.00 0.00 C ATOM 21 C SER A 3 8.019 -14.435 -7.522 1.00 0.00 C ATOM 22 O SER A 3 8.415 -15.590 -7.376 1.00 0.00 O ATOM 23 CB SER A 3 9.667 -13.805 -9.296 1.00 0.00 C ATOM 24 OG SER A 3 10.464 -12.768 -9.843 1.00 0.00 O ATOM 0 H SER A 3 10.715 -13.639 -6.919 1.00 0.00 H new ATOM 0 HA SER A 3 8.365 -12.454 -8.249 1.00 0.00 H new ATOM 0 HB2 SER A 3 10.293 -14.669 -9.073 1.00 0.00 H new ATOM 0 HB3 SER A 3 8.929 -14.127 -10.031 1.00 0.00 H new ATOM 0 HG SER A 3 10.908 -13.091 -10.655 1.00 0.00 H new ATOM 30 N GLY A 4 6.770 -14.060 -7.261 1.00 0.00 N ATOM 31 CA GLY A 4 5.792 -15.020 -6.780 1.00 0.00 C ATOM 32 C GLY A 4 5.712 -15.055 -5.267 1.00 0.00 C ATOM 33 O GLY A 4 6.721 -14.897 -4.580 1.00 0.00 O ATOM 0 H GLY A 4 6.418 -13.109 -7.374 1.00 0.00 H new ATOM 0 HA2 GLY A 4 4.812 -14.771 -7.187 1.00 0.00 H new ATOM 0 HA3 GLY A 4 6.048 -16.012 -7.151 1.00 0.00 H new ATOM 37 N SER A 5 4.507 -15.262 -4.744 1.00 0.00 N ATOM 38 CA SER A 5 4.297 -15.313 -3.302 1.00 0.00 C ATOM 39 C SER A 5 2.970 -15.988 -2.970 1.00 0.00 C ATOM 40 O SER A 5 2.200 -16.340 -3.862 1.00 0.00 O ATOM 41 CB SER A 5 4.326 -13.902 -2.712 1.00 0.00 C ATOM 42 OG SER A 5 3.405 -13.053 -3.374 1.00 0.00 O ATOM 0 H SER A 5 3.661 -15.397 -5.298 1.00 0.00 H new ATOM 0 HA SER A 5 5.103 -15.900 -2.862 1.00 0.00 H new ATOM 0 HB2 SER A 5 4.087 -13.944 -1.649 1.00 0.00 H new ATOM 0 HB3 SER A 5 5.331 -13.490 -2.797 1.00 0.00 H new ATOM 0 HG SER A 5 3.442 -12.158 -2.977 1.00 0.00 H new ATOM 48 N SER A 6 2.712 -16.166 -1.678 1.00 0.00 N ATOM 49 CA SER A 6 1.480 -16.802 -1.225 1.00 0.00 C ATOM 50 C SER A 6 0.301 -15.839 -1.330 1.00 0.00 C ATOM 51 O SER A 6 0.418 -14.660 -1.000 1.00 0.00 O ATOM 52 CB SER A 6 1.632 -17.287 0.218 1.00 0.00 C ATOM 53 OG SER A 6 1.629 -16.198 1.125 1.00 0.00 O ATOM 0 H SER A 6 3.339 -15.879 -0.927 1.00 0.00 H new ATOM 0 HA SER A 6 1.284 -17.659 -1.869 1.00 0.00 H new ATOM 0 HB2 SER A 6 0.819 -17.970 0.463 1.00 0.00 H new ATOM 0 HB3 SER A 6 2.561 -17.847 0.321 1.00 0.00 H new ATOM 0 HG SER A 6 1.726 -16.534 2.040 1.00 0.00 H new ATOM 59 N GLY A 7 -0.836 -16.353 -1.789 1.00 0.00 N ATOM 60 CA GLY A 7 -2.020 -15.525 -1.929 1.00 0.00 C ATOM 61 C GLY A 7 -1.835 -14.414 -2.941 1.00 0.00 C ATOM 62 O GLY A 7 -0.740 -14.191 -3.459 1.00 0.00 O ATOM 0 H GLY A 7 -0.958 -17.327 -2.066 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -2.862 -16.149 -2.229 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -2.273 -15.092 -0.961 1.00 0.00 H new ATOM 66 N PRO A 8 -2.926 -13.691 -3.240 1.00 0.00 N ATOM 67 CA PRO A 8 -2.904 -12.584 -4.200 1.00 0.00 C ATOM 68 C PRO A 8 -2.128 -11.379 -3.678 1.00 0.00 C ATOM 69 O PRO A 8 -2.139 -11.091 -2.482 1.00 0.00 O ATOM 70 CB PRO A 8 -4.384 -12.234 -4.372 1.00 0.00 C ATOM 71 CG PRO A 8 -5.028 -12.684 -3.106 1.00 0.00 C ATOM 72 CD PRO A 8 -4.263 -13.899 -2.661 1.00 0.00 C ATOM 0 HA PRO A 8 -2.407 -12.861 -5.130 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -4.522 -11.164 -4.528 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -4.813 -12.741 -5.237 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -4.990 -11.900 -2.349 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -6.080 -12.922 -3.266 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -4.223 -13.973 -1.574 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -4.721 -14.818 -3.027 1.00 0.00 H new ATOM 80 N LYS A 9 -1.455 -10.677 -4.584 1.00 0.00 N ATOM 81 CA LYS A 9 -0.675 -9.501 -4.216 1.00 0.00 C ATOM 82 C LYS A 9 -1.561 -8.263 -4.138 1.00 0.00 C ATOM 83 O LYS A 9 -2.059 -7.779 -5.155 1.00 0.00 O ATOM 84 CB LYS A 9 0.451 -9.274 -5.228 1.00 0.00 C ATOM 85 CG LYS A 9 1.673 -8.594 -4.636 1.00 0.00 C ATOM 86 CD LYS A 9 2.706 -8.275 -5.704 1.00 0.00 C ATOM 87 CE LYS A 9 3.590 -9.477 -6.001 1.00 0.00 C ATOM 88 NZ LYS A 9 4.716 -9.589 -5.033 1.00 0.00 N ATOM 0 H LYS A 9 -1.434 -10.902 -5.579 1.00 0.00 H new ATOM 0 HA LYS A 9 -0.241 -9.677 -3.232 1.00 0.00 H new ATOM 0 HB2 LYS A 9 0.748 -10.234 -5.649 1.00 0.00 H new ATOM 0 HB3 LYS A 9 0.072 -8.668 -6.051 1.00 0.00 H new ATOM 0 HG2 LYS A 9 1.371 -7.675 -4.134 1.00 0.00 H new ATOM 0 HG3 LYS A 9 2.118 -9.239 -3.879 1.00 0.00 H new ATOM 0 HD2 LYS A 9 2.201 -7.959 -6.617 1.00 0.00 H new ATOM 0 HD3 LYS A 9 3.324 -7.440 -5.376 1.00 0.00 H new ATOM 0 HE2 LYS A 9 2.990 -10.386 -5.967 1.00 0.00 H new ATOM 0 HE3 LYS A 9 3.987 -9.395 -7.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 5.295 -10.420 -5.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 5.303 -8.732 -5.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 4.337 -9.693 -4.070 1.00 0.00 H new ATOM 102 N ALA A 10 -1.754 -7.753 -2.926 1.00 0.00 N ATOM 103 CA ALA A 10 -2.577 -6.569 -2.717 1.00 0.00 C ATOM 104 C ALA A 10 -2.037 -5.379 -3.503 1.00 0.00 C ATOM 105 O ALA A 10 -0.856 -5.038 -3.427 1.00 0.00 O ATOM 106 CB ALA A 10 -2.653 -6.234 -1.235 1.00 0.00 C ATOM 0 H ALA A 10 -1.351 -8.142 -2.074 1.00 0.00 H new ATOM 0 HA ALA A 10 -3.581 -6.786 -3.081 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -3.271 -5.347 -1.094 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -3.092 -7.072 -0.695 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -1.650 -6.042 -0.854 1.00 0.00 H new ATOM 112 N PRO A 11 -2.919 -4.731 -4.278 1.00 0.00 N ATOM 113 CA PRO A 11 -2.554 -3.569 -5.094 1.00 0.00 C ATOM 114 C PRO A 11 -2.247 -2.339 -4.246 1.00 0.00 C ATOM 115 O PRO A 11 -2.654 -2.254 -3.087 1.00 0.00 O ATOM 116 CB PRO A 11 -3.799 -3.332 -5.951 1.00 0.00 C ATOM 117 CG PRO A 11 -4.921 -3.909 -5.158 1.00 0.00 C ATOM 118 CD PRO A 11 -4.343 -5.083 -4.418 1.00 0.00 C ATOM 0 HA PRO A 11 -1.649 -3.746 -5.675 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -3.953 -2.270 -6.140 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -3.709 -3.819 -6.922 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -5.328 -3.173 -4.465 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -5.738 -4.221 -5.808 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -4.820 -5.221 -3.448 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -4.475 -6.012 -4.973 1.00 0.00 H new ATOM 126 N VAL A 12 -1.527 -1.387 -4.831 1.00 0.00 N ATOM 127 CA VAL A 12 -1.168 -0.160 -4.130 1.00 0.00 C ATOM 128 C VAL A 12 -2.351 0.798 -4.058 1.00 0.00 C ATOM 129 O VAL A 12 -3.137 0.905 -4.999 1.00 0.00 O ATOM 130 CB VAL A 12 0.014 0.551 -4.814 1.00 0.00 C ATOM 131 CG1 VAL A 12 1.261 -0.319 -4.768 1.00 0.00 C ATOM 132 CG2 VAL A 12 -0.340 0.913 -6.248 1.00 0.00 C ATOM 0 H VAL A 12 -1.181 -1.442 -5.789 1.00 0.00 H new ATOM 0 HA VAL A 12 -0.875 -0.446 -3.120 1.00 0.00 H new ATOM 0 HB VAL A 12 0.223 1.473 -4.271 1.00 0.00 H new ATOM 0 HG11 VAL A 12 2.085 0.201 -5.256 1.00 0.00 H new ATOM 0 HG12 VAL A 12 1.524 -0.523 -3.730 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.068 -1.259 -5.285 1.00 0.00 H new ATOM 0 HG21 VAL A 12 0.507 1.415 -6.716 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -0.577 0.006 -6.804 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -1.204 1.578 -6.253 1.00 0.00 H new ATOM 142 N THR A 13 -2.473 1.495 -2.932 1.00 0.00 N ATOM 143 CA THR A 13 -3.560 2.445 -2.735 1.00 0.00 C ATOM 144 C THR A 13 -3.386 3.672 -3.624 1.00 0.00 C ATOM 145 O THR A 13 -2.269 4.135 -3.847 1.00 0.00 O ATOM 146 CB THR A 13 -3.651 2.899 -1.265 1.00 0.00 C ATOM 147 OG1 THR A 13 -2.600 3.827 -0.974 1.00 0.00 O ATOM 148 CG2 THR A 13 -3.558 1.707 -0.325 1.00 0.00 C ATOM 0 H THR A 13 -1.832 1.419 -2.143 1.00 0.00 H new ATOM 0 HA THR A 13 -4.482 1.931 -3.006 1.00 0.00 H new ATOM 0 HB THR A 13 -4.615 3.385 -1.115 1.00 0.00 H new ATOM 0 HG1 THR A 13 -2.665 4.112 -0.039 1.00 0.00 H new ATOM 0 HG21 THR A 13 -3.624 2.051 0.707 1.00 0.00 H new ATOM 0 HG22 THR A 13 -4.376 1.017 -0.531 1.00 0.00 H new ATOM 0 HG23 THR A 13 -2.607 1.197 -0.477 1.00 0.00 H new ATOM 156 N GLY A 14 -4.500 4.194 -4.129 1.00 0.00 N ATOM 157 CA GLY A 14 -4.449 5.362 -4.988 1.00 0.00 C ATOM 158 C GLY A 14 -3.358 6.333 -4.581 1.00 0.00 C ATOM 159 O GLY A 14 -2.718 6.951 -5.433 1.00 0.00 O ATOM 0 H GLY A 14 -5.437 3.828 -3.958 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -4.284 5.045 -6.018 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -5.413 5.871 -4.962 1.00 0.00 H new ATOM 163 N TYR A 15 -3.145 6.469 -3.277 1.00 0.00 N ATOM 164 CA TYR A 15 -2.125 7.374 -2.759 1.00 0.00 C ATOM 165 C TYR A 15 -0.737 6.968 -3.247 1.00 0.00 C ATOM 166 O TYR A 15 -0.050 7.740 -3.914 1.00 0.00 O ATOM 167 CB TYR A 15 -2.156 7.390 -1.230 1.00 0.00 C ATOM 168 CG TYR A 15 -1.102 8.280 -0.612 1.00 0.00 C ATOM 169 CD1 TYR A 15 -0.717 9.465 -1.228 1.00 0.00 C ATOM 170 CD2 TYR A 15 -0.492 7.937 0.588 1.00 0.00 C ATOM 171 CE1 TYR A 15 0.246 10.281 -0.667 1.00 0.00 C ATOM 172 CE2 TYR A 15 0.472 8.748 1.156 1.00 0.00 C ATOM 173 CZ TYR A 15 0.837 9.919 0.525 1.00 0.00 C ATOM 174 OH TYR A 15 1.797 10.730 1.087 1.00 0.00 O ATOM 0 H TYR A 15 -3.665 5.964 -2.559 1.00 0.00 H new ATOM 0 HA TYR A 15 -2.342 8.375 -3.130 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -3.140 7.722 -0.898 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -2.022 6.373 -0.862 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -1.179 9.753 -2.161 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -0.776 7.021 1.085 1.00 0.00 H new ATOM 0 HE1 TYR A 15 0.535 11.198 -1.159 1.00 0.00 H new ATOM 0 HE2 TYR A 15 0.937 8.466 2.089 1.00 0.00 H new ATOM 0 HH TYR A 15 2.112 10.332 1.925 1.00 0.00 H new ATOM 184 N VAL A 16 -0.332 5.748 -2.908 1.00 0.00 N ATOM 185 CA VAL A 16 0.972 5.236 -3.312 1.00 0.00 C ATOM 186 C VAL A 16 1.086 5.156 -4.830 1.00 0.00 C ATOM 187 O VAL A 16 2.116 5.506 -5.404 1.00 0.00 O ATOM 188 CB VAL A 16 1.238 3.842 -2.713 1.00 0.00 C ATOM 189 CG1 VAL A 16 2.454 3.203 -3.367 1.00 0.00 C ATOM 190 CG2 VAL A 16 1.418 3.935 -1.206 1.00 0.00 C ATOM 0 H VAL A 16 -0.888 5.096 -2.355 1.00 0.00 H new ATOM 0 HA VAL A 16 1.717 5.935 -2.932 1.00 0.00 H new ATOM 0 HB VAL A 16 0.374 3.208 -2.913 1.00 0.00 H new ATOM 0 HG11 VAL A 16 2.627 2.219 -2.931 1.00 0.00 H new ATOM 0 HG12 VAL A 16 2.279 3.100 -4.438 1.00 0.00 H new ATOM 0 HG13 VAL A 16 3.329 3.832 -3.201 1.00 0.00 H new ATOM 0 HG21 VAL A 16 1.605 2.941 -0.800 1.00 0.00 H new ATOM 0 HG22 VAL A 16 2.264 4.584 -0.980 1.00 0.00 H new ATOM 0 HG23 VAL A 16 0.514 4.347 -0.756 1.00 0.00 H new ATOM 200 N ARG A 17 0.019 4.694 -5.473 1.00 0.00 N ATOM 201 CA ARG A 17 -0.001 4.566 -6.926 1.00 0.00 C ATOM 202 C ARG A 17 0.555 5.822 -7.589 1.00 0.00 C ATOM 203 O ARG A 17 1.353 5.743 -8.523 1.00 0.00 O ATOM 204 CB ARG A 17 -1.427 4.307 -7.416 1.00 0.00 C ATOM 205 CG ARG A 17 -1.490 3.690 -8.804 1.00 0.00 C ATOM 206 CD ARG A 17 -2.927 3.518 -9.272 1.00 0.00 C ATOM 207 NE ARG A 17 -3.050 2.477 -10.289 1.00 0.00 N ATOM 208 CZ ARG A 17 -2.822 2.681 -11.581 1.00 0.00 C ATOM 209 NH1 ARG A 17 -2.460 3.881 -12.012 1.00 0.00 N ATOM 210 NH2 ARG A 17 -2.956 1.683 -12.446 1.00 0.00 N ATOM 0 H ARG A 17 -0.843 4.402 -5.012 1.00 0.00 H new ATOM 0 HA ARG A 17 0.630 3.721 -7.201 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -1.930 3.646 -6.710 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -1.978 5.248 -7.420 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -0.950 4.322 -9.509 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -0.990 2.721 -8.796 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -3.559 3.268 -8.419 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -3.293 4.463 -9.674 1.00 0.00 H new ATOM 0 HE ARG A 17 -3.326 1.542 -9.990 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -2.356 4.650 -11.351 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -2.285 4.035 -13.005 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -3.234 0.758 -12.118 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -2.781 1.841 -13.438 1.00 0.00 H new ATOM 224 N PHE A 18 0.130 6.983 -7.099 1.00 0.00 N ATOM 225 CA PHE A 18 0.585 8.256 -7.645 1.00 0.00 C ATOM 226 C PHE A 18 2.052 8.502 -7.302 1.00 0.00 C ATOM 227 O PHE A 18 2.830 8.954 -8.143 1.00 0.00 O ATOM 228 CB PHE A 18 -0.275 9.402 -7.107 1.00 0.00 C ATOM 229 CG PHE A 18 0.425 10.730 -7.114 1.00 0.00 C ATOM 230 CD1 PHE A 18 1.246 11.102 -6.061 1.00 0.00 C ATOM 231 CD2 PHE A 18 0.262 11.609 -8.174 1.00 0.00 C ATOM 232 CE1 PHE A 18 1.892 12.323 -6.064 1.00 0.00 C ATOM 233 CE2 PHE A 18 0.905 12.832 -8.182 1.00 0.00 C ATOM 234 CZ PHE A 18 1.720 13.190 -7.126 1.00 0.00 C ATOM 0 H PHE A 18 -0.529 7.068 -6.325 1.00 0.00 H new ATOM 0 HA PHE A 18 0.486 8.214 -8.730 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -1.183 9.476 -7.705 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -0.582 9.168 -6.088 1.00 0.00 H new ATOM 0 HD1 PHE A 18 1.382 10.429 -5.228 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -0.374 11.335 -9.002 1.00 0.00 H new ATOM 0 HE1 PHE A 18 2.530 12.599 -5.238 1.00 0.00 H new ATOM 0 HE2 PHE A 18 0.770 13.508 -9.014 1.00 0.00 H new ATOM 0 HZ PHE A 18 2.222 14.146 -7.130 1.00 0.00 H new ATOM 244 N LEU A 19 2.421 8.202 -6.062 1.00 0.00 N ATOM 245 CA LEU A 19 3.794 8.391 -5.607 1.00 0.00 C ATOM 246 C LEU A 19 4.782 7.729 -6.562 1.00 0.00 C ATOM 247 O LEU A 19 5.730 8.360 -7.025 1.00 0.00 O ATOM 248 CB LEU A 19 3.969 7.818 -4.198 1.00 0.00 C ATOM 249 CG LEU A 19 3.505 8.712 -3.048 1.00 0.00 C ATOM 250 CD1 LEU A 19 3.556 7.955 -1.730 1.00 0.00 C ATOM 251 CD2 LEU A 19 4.356 9.971 -2.975 1.00 0.00 C ATOM 0 H LEU A 19 1.790 7.827 -5.354 1.00 0.00 H new ATOM 0 HA LEU A 19 3.999 9.461 -5.587 1.00 0.00 H new ATOM 0 HB2 LEU A 19 3.425 6.875 -4.141 1.00 0.00 H new ATOM 0 HB3 LEU A 19 5.024 7.587 -4.050 1.00 0.00 H new ATOM 0 HG LEU A 19 2.472 9.006 -3.235 1.00 0.00 H new ATOM 0 HD11 LEU A 19 3.222 8.607 -0.923 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.904 7.083 -1.786 1.00 0.00 H new ATOM 0 HD13 LEU A 19 4.579 7.631 -1.536 1.00 0.00 H new ATOM 0 HD21 LEU A 19 4.012 10.596 -2.151 1.00 0.00 H new ATOM 0 HD22 LEU A 19 5.398 9.697 -2.812 1.00 0.00 H new ATOM 0 HD23 LEU A 19 4.269 10.524 -3.910 1.00 0.00 H new ATOM 263 N ASN A 20 4.549 6.454 -6.855 1.00 0.00 N ATOM 264 CA ASN A 20 5.417 5.707 -7.759 1.00 0.00 C ATOM 265 C ASN A 20 5.326 6.256 -9.179 1.00 0.00 C ATOM 266 O ASN A 20 6.345 6.502 -9.825 1.00 0.00 O ATOM 267 CB ASN A 20 5.042 4.224 -7.749 1.00 0.00 C ATOM 268 CG ASN A 20 5.300 3.570 -6.406 1.00 0.00 C ATOM 269 OD1 ASN A 20 6.091 4.067 -5.603 1.00 0.00 O ATOM 270 ND2 ASN A 20 4.633 2.450 -6.155 1.00 0.00 N ATOM 0 H ASN A 20 3.767 5.917 -6.480 1.00 0.00 H new ATOM 0 HA ASN A 20 6.444 5.818 -7.411 1.00 0.00 H new ATOM 0 HB2 ASN A 20 3.988 4.117 -8.005 1.00 0.00 H new ATOM 0 HB3 ASN A 20 5.611 3.703 -8.519 1.00 0.00 H new ATOM 0 HD21 ASN A 20 4.766 1.965 -5.267 1.00 0.00 H new ATOM 0 HD22 ASN A 20 3.988 2.074 -6.850 1.00 0.00 H new ATOM 277 N GLU A 21 4.101 6.448 -9.657 1.00 0.00 N ATOM 278 CA GLU A 21 3.878 6.969 -11.001 1.00 0.00 C ATOM 279 C GLU A 21 4.723 8.216 -11.248 1.00 0.00 C ATOM 280 O GLU A 21 5.365 8.347 -12.289 1.00 0.00 O ATOM 281 CB GLU A 21 2.397 7.293 -11.207 1.00 0.00 C ATOM 282 CG GLU A 21 2.046 7.648 -12.642 1.00 0.00 C ATOM 283 CD GLU A 21 2.390 6.540 -13.618 1.00 0.00 C ATOM 284 OE1 GLU A 21 3.543 6.505 -14.096 1.00 0.00 O ATOM 285 OE2 GLU A 21 1.505 5.707 -13.905 1.00 0.00 O ATOM 0 H GLU A 21 3.248 6.251 -9.134 1.00 0.00 H new ATOM 0 HA GLU A 21 4.177 6.202 -11.715 1.00 0.00 H new ATOM 0 HB2 GLU A 21 1.800 6.436 -10.897 1.00 0.00 H new ATOM 0 HB3 GLU A 21 2.122 8.124 -10.558 1.00 0.00 H new ATOM 0 HG2 GLU A 21 0.980 7.867 -12.708 1.00 0.00 H new ATOM 0 HG3 GLU A 21 2.576 8.556 -12.928 1.00 0.00 H new ATOM 292 N ARG A 22 4.716 9.129 -10.282 1.00 0.00 N ATOM 293 CA ARG A 22 5.480 10.365 -10.395 1.00 0.00 C ATOM 294 C ARG A 22 6.938 10.142 -10.007 1.00 0.00 C ATOM 295 O ARG A 22 7.840 10.780 -10.550 1.00 0.00 O ATOM 296 CB ARG A 22 4.866 11.451 -9.507 1.00 0.00 C ATOM 297 CG ARG A 22 3.602 12.066 -10.084 1.00 0.00 C ATOM 298 CD ARG A 22 3.920 13.238 -11.000 1.00 0.00 C ATOM 299 NE ARG A 22 4.263 14.443 -10.248 1.00 0.00 N ATOM 300 CZ ARG A 22 4.415 15.638 -10.807 1.00 0.00 C ATOM 301 NH1 ARG A 22 4.256 15.788 -12.114 1.00 0.00 N ATOM 302 NH2 ARG A 22 4.728 16.687 -10.056 1.00 0.00 N ATOM 0 H ARG A 22 4.190 9.036 -9.413 1.00 0.00 H new ATOM 0 HA ARG A 22 5.445 10.690 -11.435 1.00 0.00 H new ATOM 0 HB2 ARG A 22 4.639 11.024 -8.530 1.00 0.00 H new ATOM 0 HB3 ARG A 22 5.603 12.238 -9.348 1.00 0.00 H new ATOM 0 HG2 ARG A 22 3.048 11.309 -10.639 1.00 0.00 H new ATOM 0 HG3 ARG A 22 2.956 12.402 -9.273 1.00 0.00 H new ATOM 0 HD2 ARG A 22 4.749 12.971 -11.655 1.00 0.00 H new ATOM 0 HD3 ARG A 22 3.061 13.442 -11.639 1.00 0.00 H new ATOM 0 HE ARG A 22 4.393 14.362 -9.240 1.00 0.00 H new ATOM 0 HH11 ARG A 22 4.016 14.984 -12.694 1.00 0.00 H new ATOM 0 HH12 ARG A 22 4.374 16.707 -12.540 1.00 0.00 H new ATOM 0 HH21 ARG A 22 4.852 16.575 -9.050 1.00 0.00 H new ATOM 0 HH22 ARG A 22 4.845 17.605 -10.485 1.00 0.00 H new ATOM 316 N ARG A 23 7.162 9.231 -9.066 1.00 0.00 N ATOM 317 CA ARG A 23 8.510 8.924 -8.605 1.00 0.00 C ATOM 318 C ARG A 23 9.494 8.911 -9.772 1.00 0.00 C ATOM 319 O ARG A 23 10.596 9.450 -9.672 1.00 0.00 O ATOM 320 CB ARG A 23 8.533 7.571 -7.892 1.00 0.00 C ATOM 321 CG ARG A 23 9.923 7.133 -7.459 1.00 0.00 C ATOM 322 CD ARG A 23 10.607 6.307 -8.537 1.00 0.00 C ATOM 323 NE ARG A 23 10.281 4.887 -8.428 1.00 0.00 N ATOM 324 CZ ARG A 23 10.870 3.940 -9.149 1.00 0.00 C ATOM 325 NH1 ARG A 23 11.810 4.260 -10.028 1.00 0.00 N ATOM 326 NH2 ARG A 23 10.519 2.670 -8.992 1.00 0.00 N ATOM 0 H ARG A 23 6.427 8.692 -8.608 1.00 0.00 H new ATOM 0 HA ARG A 23 8.813 9.702 -7.904 1.00 0.00 H new ATOM 0 HB2 ARG A 23 7.888 7.621 -7.015 1.00 0.00 H new ATOM 0 HB3 ARG A 23 8.113 6.814 -8.554 1.00 0.00 H new ATOM 0 HG2 ARG A 23 10.528 8.011 -7.233 1.00 0.00 H new ATOM 0 HG3 ARG A 23 9.852 6.549 -6.541 1.00 0.00 H new ATOM 0 HD2 ARG A 23 10.308 6.673 -9.519 1.00 0.00 H new ATOM 0 HD3 ARG A 23 11.687 6.438 -8.464 1.00 0.00 H new ATOM 0 HE ARG A 23 9.561 4.608 -7.761 1.00 0.00 H new ATOM 0 HH11 ARG A 23 12.082 5.235 -10.151 1.00 0.00 H new ATOM 0 HH12 ARG A 23 12.261 3.531 -10.581 1.00 0.00 H new ATOM 0 HH21 ARG A 23 9.796 2.420 -8.317 1.00 0.00 H new ATOM 0 HH22 ARG A 23 10.972 1.943 -9.546 1.00 0.00 H new ATOM 340 N GLU A 24 9.087 8.293 -10.876 1.00 0.00 N ATOM 341 CA GLU A 24 9.934 8.210 -12.059 1.00 0.00 C ATOM 342 C GLU A 24 10.160 9.592 -12.665 1.00 0.00 C ATOM 343 O GLU A 24 11.284 9.955 -13.006 1.00 0.00 O ATOM 344 CB GLU A 24 9.303 7.281 -13.101 1.00 0.00 C ATOM 345 CG GLU A 24 10.011 7.305 -14.445 1.00 0.00 C ATOM 346 CD GLU A 24 9.111 6.873 -15.585 1.00 0.00 C ATOM 347 OE1 GLU A 24 8.153 7.611 -15.900 1.00 0.00 O ATOM 348 OE2 GLU A 24 9.364 5.795 -16.165 1.00 0.00 O ATOM 0 H GLU A 24 8.177 7.843 -10.976 1.00 0.00 H new ATOM 0 HA GLU A 24 10.899 7.803 -11.756 1.00 0.00 H new ATOM 0 HB2 GLU A 24 9.307 6.261 -12.716 1.00 0.00 H new ATOM 0 HB3 GLU A 24 8.260 7.564 -13.244 1.00 0.00 H new ATOM 0 HG2 GLU A 24 10.380 8.312 -14.639 1.00 0.00 H new ATOM 0 HG3 GLU A 24 10.881 6.649 -14.405 1.00 0.00 H new ATOM 355 N GLN A 25 9.081 10.357 -12.796 1.00 0.00 N ATOM 356 CA GLN A 25 9.161 11.699 -13.361 1.00 0.00 C ATOM 357 C GLN A 25 10.247 12.517 -12.671 1.00 0.00 C ATOM 358 O GLN A 25 10.974 13.273 -13.317 1.00 0.00 O ATOM 359 CB GLN A 25 7.812 12.410 -13.236 1.00 0.00 C ATOM 360 CG GLN A 25 6.690 11.723 -13.994 1.00 0.00 C ATOM 361 CD GLN A 25 6.696 12.055 -15.474 1.00 0.00 C ATOM 362 OE1 GLN A 25 7.103 11.240 -16.303 1.00 0.00 O ATOM 363 NE2 GLN A 25 6.245 13.257 -15.813 1.00 0.00 N ATOM 0 H GLN A 25 8.142 10.071 -12.519 1.00 0.00 H new ATOM 0 HA GLN A 25 9.418 11.606 -14.416 1.00 0.00 H new ATOM 0 HB2 GLN A 25 7.541 12.474 -12.182 1.00 0.00 H new ATOM 0 HB3 GLN A 25 7.914 13.432 -13.602 1.00 0.00 H new ATOM 0 HG2 GLN A 25 6.779 10.644 -13.867 1.00 0.00 H new ATOM 0 HG3 GLN A 25 5.733 12.017 -13.564 1.00 0.00 H new ATOM 0 HE21 GLN A 25 5.917 13.901 -15.093 1.00 0.00 H new ATOM 0 HE22 GLN A 25 6.226 13.537 -16.794 1.00 0.00 H new ATOM 372 N ILE A 26 10.351 12.362 -11.355 1.00 0.00 N ATOM 373 CA ILE A 26 11.349 13.085 -10.577 1.00 0.00 C ATOM 374 C ILE A 26 12.754 12.579 -10.879 1.00 0.00 C ATOM 375 O ILE A 26 13.615 13.336 -11.328 1.00 0.00 O ATOM 376 CB ILE A 26 11.084 12.960 -9.065 1.00 0.00 C ATOM 377 CG1 ILE A 26 9.639 13.348 -8.744 1.00 0.00 C ATOM 378 CG2 ILE A 26 12.056 13.829 -8.282 1.00 0.00 C ATOM 379 CD1 ILE A 26 9.302 14.779 -9.103 1.00 0.00 C ATOM 0 H ILE A 26 9.756 11.742 -10.806 1.00 0.00 H new ATOM 0 HA ILE A 26 11.274 14.134 -10.865 1.00 0.00 H new ATOM 0 HB ILE A 26 11.237 11.922 -8.770 1.00 0.00 H new ATOM 0 HG12 ILE A 26 8.965 12.679 -9.279 1.00 0.00 H new ATOM 0 HG13 ILE A 26 9.459 13.197 -7.680 1.00 0.00 H new ATOM 0 HG21 ILE A 26 11.855 13.729 -7.215 1.00 0.00 H new ATOM 0 HG22 ILE A 26 13.078 13.511 -8.490 1.00 0.00 H new ATOM 0 HG23 ILE A 26 11.933 14.871 -8.578 1.00 0.00 H new ATOM 0 HD11 ILE A 26 8.262 14.983 -8.848 1.00 0.00 H new ATOM 0 HD12 ILE A 26 9.951 15.456 -8.548 1.00 0.00 H new ATOM 0 HD13 ILE A 26 9.449 14.930 -10.172 1.00 0.00 H new ATOM 391 N ARG A 27 12.980 11.293 -10.630 1.00 0.00 N ATOM 392 CA ARG A 27 14.282 10.684 -10.876 1.00 0.00 C ATOM 393 C ARG A 27 14.929 11.271 -12.127 1.00 0.00 C ATOM 394 O ARG A 27 16.151 11.407 -12.203 1.00 0.00 O ATOM 395 CB ARG A 27 14.140 9.169 -11.025 1.00 0.00 C ATOM 396 CG ARG A 27 14.123 8.425 -9.700 1.00 0.00 C ATOM 397 CD ARG A 27 15.515 8.332 -9.095 1.00 0.00 C ATOM 398 NE ARG A 27 16.357 7.372 -9.804 1.00 0.00 N ATOM 399 CZ ARG A 27 17.608 7.093 -9.456 1.00 0.00 C ATOM 400 NH1 ARG A 27 18.160 7.697 -8.413 1.00 0.00 N ATOM 401 NH2 ARG A 27 18.310 6.207 -10.151 1.00 0.00 N ATOM 0 H ARG A 27 12.278 10.653 -10.258 1.00 0.00 H new ATOM 0 HA ARG A 27 14.923 10.899 -10.021 1.00 0.00 H new ATOM 0 HB2 ARG A 27 13.220 8.951 -11.566 1.00 0.00 H new ATOM 0 HB3 ARG A 27 14.964 8.793 -11.632 1.00 0.00 H new ATOM 0 HG2 ARG A 27 13.456 8.934 -9.004 1.00 0.00 H new ATOM 0 HG3 ARG A 27 13.722 7.422 -9.850 1.00 0.00 H new ATOM 0 HD2 ARG A 27 15.987 9.314 -9.118 1.00 0.00 H new ATOM 0 HD3 ARG A 27 15.436 8.041 -8.048 1.00 0.00 H new ATOM 0 HE ARG A 27 15.962 6.889 -10.611 1.00 0.00 H new ATOM 0 HH11 ARG A 27 17.624 8.378 -7.875 1.00 0.00 H new ATOM 0 HH12 ARG A 27 19.121 7.481 -8.148 1.00 0.00 H new ATOM 0 HH21 ARG A 27 17.889 5.739 -10.954 1.00 0.00 H new ATOM 0 HH22 ARG A 27 19.271 5.994 -9.883 1.00 0.00 H new ATOM 415 N THR A 28 14.101 11.618 -13.108 1.00 0.00 N ATOM 416 CA THR A 28 14.592 12.189 -14.357 1.00 0.00 C ATOM 417 C THR A 28 15.169 13.582 -14.135 1.00 0.00 C ATOM 418 O THR A 28 16.248 13.904 -14.634 1.00 0.00 O ATOM 419 CB THR A 28 13.475 12.270 -15.414 1.00 0.00 C ATOM 420 OG1 THR A 28 12.922 10.969 -15.644 1.00 0.00 O ATOM 421 CG2 THR A 28 14.008 12.837 -16.721 1.00 0.00 C ATOM 0 H THR A 28 13.087 11.514 -13.062 1.00 0.00 H new ATOM 0 HA THR A 28 15.378 11.527 -14.720 1.00 0.00 H new ATOM 0 HB THR A 28 12.697 12.934 -15.038 1.00 0.00 H new ATOM 0 HG1 THR A 28 12.435 10.675 -14.846 1.00 0.00 H new ATOM 0 HG21 THR A 28 13.201 12.885 -17.453 1.00 0.00 H new ATOM 0 HG22 THR A 28 14.402 13.839 -16.549 1.00 0.00 H new ATOM 0 HG23 THR A 28 14.803 12.194 -17.099 1.00 0.00 H new ATOM 429 N ARG A 29 14.445 14.405 -13.383 1.00 0.00 N ATOM 430 CA ARG A 29 14.885 15.764 -13.096 1.00 0.00 C ATOM 431 C ARG A 29 15.915 15.776 -11.970 1.00 0.00 C ATOM 432 O ARG A 29 16.995 16.353 -12.107 1.00 0.00 O ATOM 433 CB ARG A 29 13.690 16.641 -12.718 1.00 0.00 C ATOM 434 CG ARG A 29 12.965 17.232 -13.916 1.00 0.00 C ATOM 435 CD ARG A 29 11.488 17.448 -13.621 1.00 0.00 C ATOM 436 NE ARG A 29 10.891 18.435 -14.518 1.00 0.00 N ATOM 437 CZ ARG A 29 9.583 18.546 -14.720 1.00 0.00 C ATOM 438 NH1 ARG A 29 8.740 17.737 -14.094 1.00 0.00 N ATOM 439 NH2 ARG A 29 9.115 19.469 -15.551 1.00 0.00 N ATOM 0 H ARG A 29 13.551 14.154 -12.962 1.00 0.00 H new ATOM 0 HA ARG A 29 15.351 16.165 -13.996 1.00 0.00 H new ATOM 0 HB2 ARG A 29 12.986 16.049 -12.134 1.00 0.00 H new ATOM 0 HB3 ARG A 29 14.034 17.452 -12.076 1.00 0.00 H new ATOM 0 HG2 ARG A 29 13.425 18.181 -14.190 1.00 0.00 H new ATOM 0 HG3 ARG A 29 13.073 16.567 -14.773 1.00 0.00 H new ATOM 0 HD2 ARG A 29 10.956 16.501 -13.718 1.00 0.00 H new ATOM 0 HD3 ARG A 29 11.368 17.777 -12.589 1.00 0.00 H new ATOM 0 HE ARG A 29 11.512 19.073 -15.016 1.00 0.00 H new ATOM 0 HH11 ARG A 29 9.095 17.026 -13.455 1.00 0.00 H new ATOM 0 HH12 ARG A 29 7.736 17.825 -14.252 1.00 0.00 H new ATOM 0 HH21 ARG A 29 9.760 20.094 -16.035 1.00 0.00 H new ATOM 0 HH22 ARG A 29 8.110 19.554 -15.706 1.00 0.00 H new ATOM 453 N HIS A 30 15.575 15.135 -10.857 1.00 0.00 N ATOM 454 CA HIS A 30 16.469 15.072 -9.706 1.00 0.00 C ATOM 455 C HIS A 30 17.068 13.675 -9.561 1.00 0.00 C ATOM 456 O HIS A 30 16.707 12.910 -8.667 1.00 0.00 O ATOM 457 CB HIS A 30 15.721 15.455 -8.430 1.00 0.00 C ATOM 458 CG HIS A 30 15.081 16.807 -8.494 1.00 0.00 C ATOM 459 ND1 HIS A 30 15.789 17.982 -8.354 1.00 0.00 N ATOM 460 CD2 HIS A 30 13.790 17.168 -8.685 1.00 0.00 C ATOM 461 CE1 HIS A 30 14.962 19.007 -8.455 1.00 0.00 C ATOM 462 NE2 HIS A 30 13.743 18.540 -8.656 1.00 0.00 N ATOM 0 H HIS A 30 14.686 14.651 -10.727 1.00 0.00 H new ATOM 0 HA HIS A 30 17.280 15.782 -9.867 1.00 0.00 H new ATOM 0 HB2 HIS A 30 14.953 14.708 -8.231 1.00 0.00 H new ATOM 0 HB3 HIS A 30 16.415 15.430 -7.590 1.00 0.00 H new ATOM 0 HD2 HIS A 30 12.953 16.501 -8.833 1.00 0.00 H new ATOM 0 HE1 HIS A 30 15.236 20.049 -8.385 1.00 0.00 H new ATOM 0 HE2 HIS A 30 12.903 19.107 -8.771 1.00 0.00 H new ATOM 471 N PRO A 31 18.005 13.336 -10.458 1.00 0.00 N ATOM 472 CA PRO A 31 18.672 12.031 -10.449 1.00 0.00 C ATOM 473 C PRO A 31 19.613 11.869 -9.261 1.00 0.00 C ATOM 474 O PRO A 31 20.215 10.811 -9.073 1.00 0.00 O ATOM 475 CB PRO A 31 19.462 12.029 -11.761 1.00 0.00 C ATOM 476 CG PRO A 31 19.692 13.468 -12.068 1.00 0.00 C ATOM 477 CD PRO A 31 18.484 14.199 -11.550 1.00 0.00 C ATOM 0 HA PRO A 31 17.961 11.210 -10.362 1.00 0.00 H new ATOM 0 HB2 PRO A 31 20.404 11.492 -11.655 1.00 0.00 H new ATOM 0 HB3 PRO A 31 18.904 11.539 -12.558 1.00 0.00 H new ATOM 0 HG2 PRO A 31 20.602 13.829 -11.589 1.00 0.00 H new ATOM 0 HG3 PRO A 31 19.813 13.624 -13.140 1.00 0.00 H new ATOM 0 HD2 PRO A 31 18.741 15.196 -11.191 1.00 0.00 H new ATOM 0 HD3 PRO A 31 17.727 14.324 -12.325 1.00 0.00 H new ATOM 485 N ASP A 32 19.736 12.922 -8.462 1.00 0.00 N ATOM 486 CA ASP A 32 20.603 12.897 -7.289 1.00 0.00 C ATOM 487 C ASP A 32 19.787 12.710 -6.013 1.00 0.00 C ATOM 488 O ASP A 32 20.285 12.186 -5.017 1.00 0.00 O ATOM 489 CB ASP A 32 21.418 14.187 -7.203 1.00 0.00 C ATOM 490 CG ASP A 32 22.012 14.588 -8.540 1.00 0.00 C ATOM 491 OD1 ASP A 32 23.083 14.054 -8.898 1.00 0.00 O ATOM 492 OD2 ASP A 32 21.404 15.433 -9.229 1.00 0.00 O ATOM 0 H ASP A 32 19.246 13.805 -8.605 1.00 0.00 H new ATOM 0 HA ASP A 32 21.284 12.052 -7.390 1.00 0.00 H new ATOM 0 HB2 ASP A 32 20.781 14.992 -6.836 1.00 0.00 H new ATOM 0 HB3 ASP A 32 22.220 14.059 -6.476 1.00 0.00 H new ATOM 497 N LEU A 33 18.531 13.143 -6.052 1.00 0.00 N ATOM 498 CA LEU A 33 17.645 13.025 -4.899 1.00 0.00 C ATOM 499 C LEU A 33 17.357 11.561 -4.582 1.00 0.00 C ATOM 500 O LEU A 33 16.907 10.793 -5.433 1.00 0.00 O ATOM 501 CB LEU A 33 16.336 13.771 -5.159 1.00 0.00 C ATOM 502 CG LEU A 33 16.354 15.275 -4.886 1.00 0.00 C ATOM 503 CD1 LEU A 33 14.938 15.828 -4.850 1.00 0.00 C ATOM 504 CD2 LEU A 33 17.077 15.570 -3.579 1.00 0.00 C ATOM 0 H LEU A 33 18.104 13.579 -6.869 1.00 0.00 H new ATOM 0 HA LEU A 33 18.145 13.472 -4.039 1.00 0.00 H new ATOM 0 HB2 LEU A 33 16.053 13.615 -6.200 1.00 0.00 H new ATOM 0 HB3 LEU A 33 15.556 13.320 -4.545 1.00 0.00 H new ATOM 0 HG LEU A 33 16.893 15.766 -5.696 1.00 0.00 H new ATOM 0 HD11 LEU A 33 14.971 16.900 -4.655 1.00 0.00 H new ATOM 0 HD12 LEU A 33 14.453 15.649 -5.810 1.00 0.00 H new ATOM 0 HD13 LEU A 33 14.374 15.332 -4.060 1.00 0.00 H new ATOM 0 HD21 LEU A 33 17.081 16.645 -3.400 1.00 0.00 H new ATOM 0 HD22 LEU A 33 16.565 15.067 -2.758 1.00 0.00 H new ATOM 0 HD23 LEU A 33 18.104 15.209 -3.642 1.00 0.00 H new ATOM 516 N PRO A 34 17.618 11.164 -3.328 1.00 0.00 N ATOM 517 CA PRO A 34 17.391 9.791 -2.869 1.00 0.00 C ATOM 518 C PRO A 34 15.907 9.450 -2.772 1.00 0.00 C ATOM 519 O PRO A 34 15.063 10.144 -3.338 1.00 0.00 O ATOM 520 CB PRO A 34 18.036 9.769 -1.481 1.00 0.00 C ATOM 521 CG PRO A 34 17.997 11.186 -1.023 1.00 0.00 C ATOM 522 CD PRO A 34 18.155 12.025 -2.261 1.00 0.00 C ATOM 0 HA PRO A 34 17.807 9.057 -3.559 1.00 0.00 H new ATOM 0 HB2 PRO A 34 17.488 9.118 -0.800 1.00 0.00 H new ATOM 0 HB3 PRO A 34 19.059 9.395 -1.526 1.00 0.00 H new ATOM 0 HG2 PRO A 34 17.056 11.408 -0.519 1.00 0.00 H new ATOM 0 HG3 PRO A 34 18.796 11.388 -0.310 1.00 0.00 H new ATOM 0 HD2 PRO A 34 17.603 12.962 -2.185 1.00 0.00 H new ATOM 0 HD3 PRO A 34 19.199 12.284 -2.441 1.00 0.00 H new ATOM 530 N PHE A 35 15.598 8.376 -2.052 1.00 0.00 N ATOM 531 CA PHE A 35 14.215 7.943 -1.882 1.00 0.00 C ATOM 532 C PHE A 35 13.459 8.891 -0.956 1.00 0.00 C ATOM 533 O PHE A 35 12.448 9.487 -1.328 1.00 0.00 O ATOM 534 CB PHE A 35 14.171 6.519 -1.322 1.00 0.00 C ATOM 535 CG PHE A 35 12.988 6.263 -0.432 1.00 0.00 C ATOM 536 CD1 PHE A 35 11.718 6.668 -0.812 1.00 0.00 C ATOM 537 CD2 PHE A 35 13.145 5.616 0.783 1.00 0.00 C ATOM 538 CE1 PHE A 35 10.628 6.434 0.006 1.00 0.00 C ATOM 539 CE2 PHE A 35 12.059 5.379 1.605 1.00 0.00 C ATOM 540 CZ PHE A 35 10.799 5.788 1.215 1.00 0.00 C ATOM 0 H PHE A 35 16.285 7.790 -1.578 1.00 0.00 H new ATOM 0 HA PHE A 35 13.732 7.957 -2.859 1.00 0.00 H new ATOM 0 HB2 PHE A 35 14.152 5.811 -2.151 1.00 0.00 H new ATOM 0 HB3 PHE A 35 15.086 6.329 -0.761 1.00 0.00 H new ATOM 0 HD1 PHE A 35 11.578 7.172 -1.757 1.00 0.00 H new ATOM 0 HD2 PHE A 35 14.128 5.293 1.092 1.00 0.00 H new ATOM 0 HE1 PHE A 35 9.644 6.756 -0.300 1.00 0.00 H new ATOM 0 HE2 PHE A 35 12.196 4.875 2.550 1.00 0.00 H new ATOM 0 HZ PHE A 35 9.948 5.603 1.854 1.00 0.00 H new ATOM 550 N PRO A 36 13.957 9.032 0.281 1.00 0.00 N ATOM 551 CA PRO A 36 13.345 9.905 1.287 1.00 0.00 C ATOM 552 C PRO A 36 13.506 11.383 0.947 1.00 0.00 C ATOM 553 O PRO A 36 13.383 12.245 1.815 1.00 0.00 O ATOM 554 CB PRO A 36 14.112 9.565 2.567 1.00 0.00 C ATOM 555 CG PRO A 36 15.430 9.054 2.095 1.00 0.00 C ATOM 556 CD PRO A 36 15.159 8.352 0.793 1.00 0.00 C ATOM 0 HA PRO A 36 12.269 9.746 1.364 1.00 0.00 H new ATOM 0 HB2 PRO A 36 14.232 10.443 3.202 1.00 0.00 H new ATOM 0 HB3 PRO A 36 13.585 8.815 3.157 1.00 0.00 H new ATOM 0 HG2 PRO A 36 16.139 9.871 1.958 1.00 0.00 H new ATOM 0 HG3 PRO A 36 15.867 8.371 2.823 1.00 0.00 H new ATOM 0 HD2 PRO A 36 15.998 8.446 0.104 1.00 0.00 H new ATOM 0 HD3 PRO A 36 14.985 7.286 0.940 1.00 0.00 H new ATOM 564 N GLU A 37 13.781 11.667 -0.323 1.00 0.00 N ATOM 565 CA GLU A 37 13.958 13.042 -0.776 1.00 0.00 C ATOM 566 C GLU A 37 13.038 13.350 -1.953 1.00 0.00 C ATOM 567 O GLU A 37 12.664 14.501 -2.178 1.00 0.00 O ATOM 568 CB GLU A 37 15.415 13.286 -1.175 1.00 0.00 C ATOM 569 CG GLU A 37 16.324 13.608 -0.001 1.00 0.00 C ATOM 570 CD GLU A 37 16.268 15.071 0.394 1.00 0.00 C ATOM 571 OE1 GLU A 37 16.232 15.930 -0.511 1.00 0.00 O ATOM 572 OE2 GLU A 37 16.262 15.357 1.610 1.00 0.00 O ATOM 0 H GLU A 37 13.886 10.964 -1.055 1.00 0.00 H new ATOM 0 HA GLU A 37 13.698 13.706 0.048 1.00 0.00 H new ATOM 0 HB2 GLU A 37 15.796 12.402 -1.686 1.00 0.00 H new ATOM 0 HB3 GLU A 37 15.454 14.108 -1.889 1.00 0.00 H new ATOM 0 HG2 GLU A 37 16.040 12.993 0.853 1.00 0.00 H new ATOM 0 HG3 GLU A 37 17.350 13.343 -0.257 1.00 0.00 H new ATOM 579 N ILE A 38 12.678 12.313 -2.702 1.00 0.00 N ATOM 580 CA ILE A 38 11.801 12.472 -3.856 1.00 0.00 C ATOM 581 C ILE A 38 10.334 12.396 -3.446 1.00 0.00 C ATOM 582 O ILE A 38 9.506 13.179 -3.912 1.00 0.00 O ATOM 583 CB ILE A 38 12.079 11.400 -4.926 1.00 0.00 C ATOM 584 CG1 ILE A 38 13.512 11.528 -5.446 1.00 0.00 C ATOM 585 CG2 ILE A 38 11.082 11.521 -6.069 1.00 0.00 C ATOM 586 CD1 ILE A 38 14.001 10.299 -6.181 1.00 0.00 C ATOM 0 H ILE A 38 12.980 11.354 -2.531 1.00 0.00 H new ATOM 0 HA ILE A 38 12.008 13.456 -4.277 1.00 0.00 H new ATOM 0 HB ILE A 38 11.963 10.416 -4.472 1.00 0.00 H new ATOM 0 HG12 ILE A 38 13.572 12.388 -6.113 1.00 0.00 H new ATOM 0 HG13 ILE A 38 14.178 11.728 -4.607 1.00 0.00 H new ATOM 0 HG21 ILE A 38 11.292 10.757 -6.817 1.00 0.00 H new ATOM 0 HG22 ILE A 38 10.071 11.386 -5.686 1.00 0.00 H new ATOM 0 HG23 ILE A 38 11.168 12.508 -6.524 1.00 0.00 H new ATOM 0 HD11 ILE A 38 15.024 10.461 -6.521 1.00 0.00 H new ATOM 0 HD12 ILE A 38 13.973 9.439 -5.511 1.00 0.00 H new ATOM 0 HD13 ILE A 38 13.359 10.110 -7.041 1.00 0.00 H new ATOM 598 N THR A 39 10.018 11.449 -2.568 1.00 0.00 N ATOM 599 CA THR A 39 8.652 11.270 -2.094 1.00 0.00 C ATOM 600 C THR A 39 8.150 12.521 -1.381 1.00 0.00 C ATOM 601 O THR A 39 7.056 13.010 -1.660 1.00 0.00 O ATOM 602 CB THR A 39 8.540 10.068 -1.138 1.00 0.00 C ATOM 603 OG1 THR A 39 8.782 8.851 -1.852 1.00 0.00 O ATOM 604 CG2 THR A 39 7.166 10.017 -0.490 1.00 0.00 C ATOM 0 H THR A 39 10.691 10.794 -2.171 1.00 0.00 H new ATOM 0 HA THR A 39 8.035 11.083 -2.973 1.00 0.00 H new ATOM 0 HB THR A 39 9.289 10.185 -0.354 1.00 0.00 H new ATOM 0 HG1 THR A 39 8.410 8.097 -1.349 1.00 0.00 H new ATOM 0 HG21 THR A 39 7.112 9.159 0.181 1.00 0.00 H new ATOM 0 HG22 THR A 39 6.997 10.932 0.077 1.00 0.00 H new ATOM 0 HG23 THR A 39 6.403 9.922 -1.262 1.00 0.00 H new ATOM 612 N LYS A 40 8.957 13.034 -0.459 1.00 0.00 N ATOM 613 CA LYS A 40 8.597 14.229 0.295 1.00 0.00 C ATOM 614 C LYS A 40 8.071 15.320 -0.633 1.00 0.00 C ATOM 615 O LYS A 40 7.174 16.079 -0.268 1.00 0.00 O ATOM 616 CB LYS A 40 9.805 14.748 1.075 1.00 0.00 C ATOM 617 CG LYS A 40 10.851 15.421 0.201 1.00 0.00 C ATOM 618 CD LYS A 40 11.823 16.245 1.030 1.00 0.00 C ATOM 619 CE LYS A 40 12.585 17.240 0.167 1.00 0.00 C ATOM 620 NZ LYS A 40 13.658 16.579 -0.626 1.00 0.00 N ATOM 0 H LYS A 40 9.866 12.640 -0.216 1.00 0.00 H new ATOM 0 HA LYS A 40 7.807 13.961 0.997 1.00 0.00 H new ATOM 0 HB2 LYS A 40 9.463 15.457 1.829 1.00 0.00 H new ATOM 0 HB3 LYS A 40 10.268 13.917 1.606 1.00 0.00 H new ATOM 0 HG2 LYS A 40 11.400 14.664 -0.360 1.00 0.00 H new ATOM 0 HG3 LYS A 40 10.358 16.063 -0.529 1.00 0.00 H new ATOM 0 HD2 LYS A 40 11.278 16.779 1.808 1.00 0.00 H new ATOM 0 HD3 LYS A 40 12.528 15.582 1.532 1.00 0.00 H new ATOM 0 HE2 LYS A 40 11.891 17.741 -0.508 1.00 0.00 H new ATOM 0 HE3 LYS A 40 13.024 18.010 0.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 13.839 17.128 -1.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 14.528 16.529 -0.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 13.357 15.617 -0.883 1.00 0.00 H new ATOM 634 N MET A 41 8.632 15.388 -1.836 1.00 0.00 N ATOM 635 CA MET A 41 8.217 16.384 -2.817 1.00 0.00 C ATOM 636 C MET A 41 6.849 16.038 -3.397 1.00 0.00 C ATOM 637 O MET A 41 5.950 16.878 -3.435 1.00 0.00 O ATOM 638 CB MET A 41 9.250 16.485 -3.942 1.00 0.00 C ATOM 639 CG MET A 41 10.500 17.258 -3.550 1.00 0.00 C ATOM 640 SD MET A 41 11.434 17.834 -4.981 1.00 0.00 S ATOM 641 CE MET A 41 11.908 16.276 -5.726 1.00 0.00 C ATOM 0 H MET A 41 9.375 14.766 -2.155 1.00 0.00 H new ATOM 0 HA MET A 41 8.145 17.347 -2.312 1.00 0.00 H new ATOM 0 HB2 MET A 41 9.536 15.480 -4.253 1.00 0.00 H new ATOM 0 HB3 MET A 41 8.790 16.967 -4.805 1.00 0.00 H new ATOM 0 HG2 MET A 41 10.217 18.114 -2.937 1.00 0.00 H new ATOM 0 HG3 MET A 41 11.138 16.623 -2.936 1.00 0.00 H new ATOM 0 HE1 MET A 41 12.770 16.430 -6.375 1.00 0.00 H new ATOM 0 HE2 MET A 41 12.166 15.562 -4.944 1.00 0.00 H new ATOM 0 HE3 MET A 41 11.077 15.886 -6.314 1.00 0.00 H new ATOM 651 N LEU A 42 6.699 14.798 -3.847 1.00 0.00 N ATOM 652 CA LEU A 42 5.439 14.341 -4.425 1.00 0.00 C ATOM 653 C LEU A 42 4.291 14.513 -3.436 1.00 0.00 C ATOM 654 O LEU A 42 3.251 15.078 -3.769 1.00 0.00 O ATOM 655 CB LEU A 42 5.551 12.874 -4.845 1.00 0.00 C ATOM 656 CG LEU A 42 6.617 12.555 -5.894 1.00 0.00 C ATOM 657 CD1 LEU A 42 6.621 11.068 -6.215 1.00 0.00 C ATOM 658 CD2 LEU A 42 6.386 13.375 -7.155 1.00 0.00 C ATOM 0 H LEU A 42 7.433 14.090 -3.823 1.00 0.00 H new ATOM 0 HA LEU A 42 5.229 14.950 -5.305 1.00 0.00 H new ATOM 0 HB2 LEU A 42 5.755 12.277 -3.956 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.583 12.552 -5.230 1.00 0.00 H new ATOM 0 HG LEU A 42 7.592 12.820 -5.486 1.00 0.00 H new ATOM 0 HD11 LEU A 42 7.386 10.859 -6.963 1.00 0.00 H new ATOM 0 HD12 LEU A 42 6.835 10.501 -5.309 1.00 0.00 H new ATOM 0 HD13 LEU A 42 5.645 10.777 -6.603 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.154 13.135 -7.891 1.00 0.00 H new ATOM 0 HD22 LEU A 42 5.404 13.141 -7.566 1.00 0.00 H new ATOM 0 HD23 LEU A 42 6.435 14.437 -6.913 1.00 0.00 H new ATOM 670 N GLY A 43 4.490 14.023 -2.217 1.00 0.00 N ATOM 671 CA GLY A 43 3.464 14.135 -1.197 1.00 0.00 C ATOM 672 C GLY A 43 2.800 15.498 -1.188 1.00 0.00 C ATOM 673 O GLY A 43 1.574 15.598 -1.167 1.00 0.00 O ATOM 0 H GLY A 43 5.343 13.551 -1.917 1.00 0.00 H new ATOM 0 HA2 GLY A 43 2.708 13.367 -1.361 1.00 0.00 H new ATOM 0 HA3 GLY A 43 3.906 13.943 -0.219 1.00 0.00 H new ATOM 677 N ALA A 44 3.612 16.550 -1.203 1.00 0.00 N ATOM 678 CA ALA A 44 3.096 17.913 -1.198 1.00 0.00 C ATOM 679 C ALA A 44 2.210 18.169 -2.411 1.00 0.00 C ATOM 680 O ALA A 44 1.227 18.905 -2.328 1.00 0.00 O ATOM 681 CB ALA A 44 4.244 18.911 -1.160 1.00 0.00 C ATOM 0 H ALA A 44 4.630 16.484 -1.219 1.00 0.00 H new ATOM 0 HA ALA A 44 2.487 18.042 -0.303 1.00 0.00 H new ATOM 0 HB1 ALA A 44 3.845 19.925 -1.157 1.00 0.00 H new ATOM 0 HB2 ALA A 44 4.836 18.751 -0.259 1.00 0.00 H new ATOM 0 HB3 ALA A 44 4.876 18.773 -2.038 1.00 0.00 H new ATOM 687 N GLU A 45 2.563 17.557 -3.537 1.00 0.00 N ATOM 688 CA GLU A 45 1.799 17.721 -4.767 1.00 0.00 C ATOM 689 C GLU A 45 0.435 17.045 -4.656 1.00 0.00 C ATOM 690 O GLU A 45 -0.559 17.538 -5.188 1.00 0.00 O ATOM 691 CB GLU A 45 2.572 17.144 -5.956 1.00 0.00 C ATOM 692 CG GLU A 45 3.950 17.755 -6.141 1.00 0.00 C ATOM 693 CD GLU A 45 3.903 19.097 -6.846 1.00 0.00 C ATOM 694 OE1 GLU A 45 2.891 19.812 -6.693 1.00 0.00 O ATOM 695 OE2 GLU A 45 4.879 19.430 -7.550 1.00 0.00 O ATOM 0 H GLU A 45 3.373 16.943 -3.622 1.00 0.00 H new ATOM 0 HA GLU A 45 1.644 18.788 -4.927 1.00 0.00 H new ATOM 0 HB2 GLU A 45 2.676 16.067 -5.822 1.00 0.00 H new ATOM 0 HB3 GLU A 45 1.991 17.298 -6.865 1.00 0.00 H new ATOM 0 HG2 GLU A 45 4.423 17.877 -5.167 1.00 0.00 H new ATOM 0 HG3 GLU A 45 4.574 17.069 -6.714 1.00 0.00 H new ATOM 702 N TRP A 46 0.399 15.914 -3.961 1.00 0.00 N ATOM 703 CA TRP A 46 -0.842 15.169 -3.780 1.00 0.00 C ATOM 704 C TRP A 46 -1.918 16.048 -3.153 1.00 0.00 C ATOM 705 O TRP A 46 -3.077 16.017 -3.568 1.00 0.00 O ATOM 706 CB TRP A 46 -0.598 13.938 -2.905 1.00 0.00 C ATOM 707 CG TRP A 46 -1.862 13.278 -2.444 1.00 0.00 C ATOM 708 CD1 TRP A 46 -2.385 13.301 -1.182 1.00 0.00 C ATOM 709 CD2 TRP A 46 -2.760 12.495 -3.238 1.00 0.00 C ATOM 710 NE1 TRP A 46 -3.555 12.580 -1.145 1.00 0.00 N ATOM 711 CE2 TRP A 46 -3.807 12.077 -2.394 1.00 0.00 C ATOM 712 CE3 TRP A 46 -2.783 12.110 -4.581 1.00 0.00 C ATOM 713 CZ2 TRP A 46 -4.862 11.291 -2.849 1.00 0.00 C ATOM 714 CZ3 TRP A 46 -3.831 11.330 -5.032 1.00 0.00 C ATOM 715 CH2 TRP A 46 -4.859 10.928 -4.169 1.00 0.00 C ATOM 0 H TRP A 46 1.213 15.493 -3.514 1.00 0.00 H new ATOM 0 HA TRP A 46 -1.190 14.846 -4.761 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -0.002 13.216 -3.464 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -0.011 14.230 -2.035 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -1.944 13.810 -0.338 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -4.140 12.442 -0.321 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -1.996 12.416 -5.254 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -5.654 10.979 -2.185 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -3.858 11.025 -6.068 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -5.665 10.320 -4.553 1.00 0.00 H new ATOM 726 N SER A 47 -1.528 16.831 -2.153 1.00 0.00 N ATOM 727 CA SER A 47 -2.461 17.717 -1.466 1.00 0.00 C ATOM 728 C SER A 47 -2.823 18.910 -2.346 1.00 0.00 C ATOM 729 O SER A 47 -3.869 19.535 -2.165 1.00 0.00 O ATOM 730 CB SER A 47 -1.859 18.204 -0.147 1.00 0.00 C ATOM 731 OG SER A 47 -2.871 18.630 0.749 1.00 0.00 O ATOM 0 H SER A 47 -0.572 16.870 -1.800 1.00 0.00 H new ATOM 0 HA SER A 47 -3.370 17.154 -1.254 1.00 0.00 H new ATOM 0 HB2 SER A 47 -1.279 17.402 0.310 1.00 0.00 H new ATOM 0 HB3 SER A 47 -1.170 19.026 -0.340 1.00 0.00 H new ATOM 0 HG SER A 47 -2.461 18.935 1.585 1.00 0.00 H new ATOM 737 N LYS A 48 -1.952 19.222 -3.298 1.00 0.00 N ATOM 738 CA LYS A 48 -2.177 20.339 -4.207 1.00 0.00 C ATOM 739 C LYS A 48 -2.784 19.857 -5.520 1.00 0.00 C ATOM 740 O LYS A 48 -2.895 20.620 -6.482 1.00 0.00 O ATOM 741 CB LYS A 48 -0.863 21.075 -4.480 1.00 0.00 C ATOM 742 CG LYS A 48 -0.225 21.663 -3.233 1.00 0.00 C ATOM 743 CD LYS A 48 1.011 22.479 -3.571 1.00 0.00 C ATOM 744 CE LYS A 48 2.262 21.614 -3.593 1.00 0.00 C ATOM 745 NZ LYS A 48 3.416 22.323 -4.210 1.00 0.00 N ATOM 0 H LYS A 48 -1.081 18.716 -3.461 1.00 0.00 H new ATOM 0 HA LYS A 48 -2.878 21.025 -3.733 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -0.160 20.385 -4.947 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -1.047 21.876 -5.196 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -0.948 22.294 -2.716 1.00 0.00 H new ATOM 0 HG3 LYS A 48 0.045 20.859 -2.548 1.00 0.00 H new ATOM 0 HD2 LYS A 48 0.879 22.955 -4.543 1.00 0.00 H new ATOM 0 HD3 LYS A 48 1.132 23.277 -2.839 1.00 0.00 H new ATOM 0 HE2 LYS A 48 2.518 21.320 -2.575 1.00 0.00 H new ATOM 0 HE3 LYS A 48 2.060 20.698 -4.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 4.249 21.700 -4.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 3.181 22.581 -5.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 3.625 23.184 -3.666 1.00 0.00 H new ATOM 759 N LEU A 49 -3.178 18.590 -5.555 1.00 0.00 N ATOM 760 CA LEU A 49 -3.776 18.006 -6.751 1.00 0.00 C ATOM 761 C LEU A 49 -5.176 18.564 -6.987 1.00 0.00 C ATOM 762 O LEU A 49 -5.814 19.074 -6.066 1.00 0.00 O ATOM 763 CB LEU A 49 -3.836 16.483 -6.624 1.00 0.00 C ATOM 764 CG LEU A 49 -2.618 15.718 -7.143 1.00 0.00 C ATOM 765 CD1 LEU A 49 -2.823 14.219 -6.987 1.00 0.00 C ATOM 766 CD2 LEU A 49 -2.346 16.072 -8.598 1.00 0.00 C ATOM 0 H LEU A 49 -3.094 17.946 -4.768 1.00 0.00 H new ATOM 0 HA LEU A 49 -3.151 18.268 -7.605 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -3.977 16.231 -5.573 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -4.718 16.128 -7.158 1.00 0.00 H new ATOM 0 HG LEU A 49 -1.751 16.009 -6.551 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -1.946 13.691 -7.362 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -2.968 13.979 -5.934 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -3.702 13.911 -7.554 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -1.476 15.518 -8.951 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -3.213 15.810 -9.204 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -2.154 17.142 -8.682 1.00 0.00 H new ATOM 778 N GLN A 50 -5.648 18.460 -8.225 1.00 0.00 N ATOM 779 CA GLN A 50 -6.974 18.953 -8.581 1.00 0.00 C ATOM 780 C GLN A 50 -8.058 17.999 -8.090 1.00 0.00 C ATOM 781 O GLN A 50 -7.820 16.813 -7.864 1.00 0.00 O ATOM 782 CB GLN A 50 -7.084 19.135 -10.096 1.00 0.00 C ATOM 783 CG GLN A 50 -6.442 20.416 -10.603 1.00 0.00 C ATOM 784 CD GLN A 50 -7.098 21.660 -10.037 1.00 0.00 C ATOM 785 OE1 GLN A 50 -8.204 22.028 -10.432 1.00 0.00 O ATOM 786 NE2 GLN A 50 -6.418 22.316 -9.104 1.00 0.00 N ATOM 0 H GLN A 50 -5.133 18.039 -8.998 1.00 0.00 H new ATOM 0 HA GLN A 50 -7.118 19.918 -8.096 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -6.616 18.284 -10.591 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -8.137 19.129 -10.379 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -5.384 20.416 -10.341 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -6.501 20.442 -11.691 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -5.504 21.976 -8.805 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -6.810 23.160 -8.686 1.00 0.00 H new ATOM 795 N PRO A 51 -9.279 18.528 -7.921 1.00 0.00 N ATOM 796 CA PRO A 51 -10.426 17.741 -7.456 1.00 0.00 C ATOM 797 C PRO A 51 -10.898 16.734 -8.499 1.00 0.00 C ATOM 798 O PRO A 51 -11.884 16.028 -8.290 1.00 0.00 O ATOM 799 CB PRO A 51 -11.503 18.798 -7.206 1.00 0.00 C ATOM 800 CG PRO A 51 -11.138 19.932 -8.100 1.00 0.00 C ATOM 801 CD PRO A 51 -9.635 19.935 -8.171 1.00 0.00 C ATOM 0 HA PRO A 51 -10.183 17.145 -6.576 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -12.496 18.414 -7.440 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -11.519 19.107 -6.161 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -11.575 19.805 -9.090 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -11.512 20.877 -7.705 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -9.279 20.273 -9.144 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -9.199 20.599 -7.424 1.00 0.00 H new ATOM 809 N ALA A 52 -10.190 16.674 -9.621 1.00 0.00 N ATOM 810 CA ALA A 52 -10.536 15.751 -10.695 1.00 0.00 C ATOM 811 C ALA A 52 -9.483 14.657 -10.840 1.00 0.00 C ATOM 812 O ALA A 52 -9.807 13.509 -11.140 1.00 0.00 O ATOM 813 CB ALA A 52 -10.700 16.505 -12.007 1.00 0.00 C ATOM 0 H ALA A 52 -9.373 17.254 -9.810 1.00 0.00 H new ATOM 0 HA ALA A 52 -11.483 15.276 -10.440 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -10.958 15.803 -12.800 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -11.494 17.245 -11.905 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -9.766 17.007 -12.257 1.00 0.00 H new ATOM 819 N GLU A 53 -8.223 15.022 -10.626 1.00 0.00 N ATOM 820 CA GLU A 53 -7.123 14.071 -10.735 1.00 0.00 C ATOM 821 C GLU A 53 -7.002 13.232 -9.466 1.00 0.00 C ATOM 822 O GLU A 53 -6.987 12.002 -9.520 1.00 0.00 O ATOM 823 CB GLU A 53 -5.808 14.805 -11.002 1.00 0.00 C ATOM 824 CG GLU A 53 -5.870 15.752 -12.188 1.00 0.00 C ATOM 825 CD GLU A 53 -6.414 15.089 -13.437 1.00 0.00 C ATOM 826 OE1 GLU A 53 -5.714 14.221 -14.000 1.00 0.00 O ATOM 827 OE2 GLU A 53 -7.539 15.436 -13.852 1.00 0.00 O ATOM 0 H GLU A 53 -7.939 15.969 -10.376 1.00 0.00 H new ATOM 0 HA GLU A 53 -7.334 13.405 -11.572 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -5.529 15.369 -10.112 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -5.021 14.071 -11.174 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -6.496 16.607 -11.933 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -4.871 16.138 -12.392 1.00 0.00 H new ATOM 834 N LYS A 54 -6.916 13.906 -8.324 1.00 0.00 N ATOM 835 CA LYS A 54 -6.797 13.225 -7.041 1.00 0.00 C ATOM 836 C LYS A 54 -7.907 12.193 -6.867 1.00 0.00 C ATOM 837 O LYS A 54 -7.668 11.090 -6.377 1.00 0.00 O ATOM 838 CB LYS A 54 -6.846 14.239 -5.896 1.00 0.00 C ATOM 839 CG LYS A 54 -6.205 13.740 -4.612 1.00 0.00 C ATOM 840 CD LYS A 54 -6.779 14.442 -3.393 1.00 0.00 C ATOM 841 CE LYS A 54 -5.757 14.531 -2.270 1.00 0.00 C ATOM 842 NZ LYS A 54 -6.146 15.541 -1.246 1.00 0.00 N ATOM 0 H LYS A 54 -6.927 14.924 -8.261 1.00 0.00 H new ATOM 0 HA LYS A 54 -5.838 12.708 -7.020 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -6.344 15.154 -6.211 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -7.886 14.498 -5.696 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -6.360 12.665 -4.521 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -5.128 13.904 -4.654 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -7.106 15.444 -3.669 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -7.660 13.904 -3.043 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -5.652 13.555 -1.796 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -4.783 14.791 -2.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -5.425 15.572 -0.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -6.222 16.477 -1.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -7.064 15.280 -0.832 1.00 0.00 H new ATOM 856 N GLN A 55 -9.118 12.560 -7.272 1.00 0.00 N ATOM 857 CA GLN A 55 -10.263 11.664 -7.161 1.00 0.00 C ATOM 858 C GLN A 55 -10.130 10.487 -8.123 1.00 0.00 C ATOM 859 O GLN A 55 -10.603 9.387 -7.841 1.00 0.00 O ATOM 860 CB GLN A 55 -11.560 12.424 -7.444 1.00 0.00 C ATOM 861 CG GLN A 55 -12.815 11.598 -7.203 1.00 0.00 C ATOM 862 CD GLN A 55 -13.082 11.360 -5.730 1.00 0.00 C ATOM 863 OE1 GLN A 55 -13.000 12.280 -4.915 1.00 0.00 O ATOM 864 NE2 GLN A 55 -13.404 10.120 -5.378 1.00 0.00 N ATOM 0 H GLN A 55 -9.332 13.470 -7.679 1.00 0.00 H new ATOM 0 HA GLN A 55 -10.291 11.276 -6.143 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -11.594 13.314 -6.815 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -11.553 12.765 -8.479 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -13.671 12.107 -7.646 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -12.717 10.638 -7.710 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -13.461 9.387 -6.086 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -13.594 9.901 -4.400 1.00 0.00 H new ATOM 873 N ARG A 56 -9.483 10.728 -9.258 1.00 0.00 N ATOM 874 CA ARG A 56 -9.288 9.689 -10.262 1.00 0.00 C ATOM 875 C ARG A 56 -8.283 8.648 -9.778 1.00 0.00 C ATOM 876 O ARG A 56 -8.459 7.450 -10.001 1.00 0.00 O ATOM 877 CB ARG A 56 -8.808 10.304 -11.578 1.00 0.00 C ATOM 878 CG ARG A 56 -8.247 9.286 -12.557 1.00 0.00 C ATOM 879 CD ARG A 56 -7.857 9.937 -13.875 1.00 0.00 C ATOM 880 NE ARG A 56 -6.802 9.196 -14.560 1.00 0.00 N ATOM 881 CZ ARG A 56 -5.542 9.151 -14.139 1.00 0.00 C ATOM 882 NH1 ARG A 56 -5.184 9.802 -13.041 1.00 0.00 N ATOM 883 NH2 ARG A 56 -4.639 8.455 -14.817 1.00 0.00 N ATOM 0 H ARG A 56 -9.085 11.634 -9.506 1.00 0.00 H new ATOM 0 HA ARG A 56 -10.245 9.195 -10.428 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -9.640 10.828 -12.049 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -8.042 11.049 -11.363 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -7.376 8.799 -12.118 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -8.988 8.508 -12.739 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -8.733 10.001 -14.521 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -7.522 10.958 -13.690 1.00 0.00 H new ATOM 0 HE ARG A 56 -7.045 8.685 -15.408 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -5.876 10.339 -12.518 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -4.217 9.766 -12.719 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -4.911 7.954 -15.662 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -3.672 8.421 -14.493 1.00 0.00 H new ATOM 897 N TYR A 57 -7.230 9.113 -9.116 1.00 0.00 N ATOM 898 CA TYR A 57 -6.195 8.222 -8.604 1.00 0.00 C ATOM 899 C TYR A 57 -6.785 7.201 -7.637 1.00 0.00 C ATOM 900 O TYR A 57 -6.526 6.001 -7.747 1.00 0.00 O ATOM 901 CB TYR A 57 -5.100 9.029 -7.904 1.00 0.00 C ATOM 902 CG TYR A 57 -4.057 9.581 -8.850 1.00 0.00 C ATOM 903 CD1 TYR A 57 -3.416 8.758 -9.767 1.00 0.00 C ATOM 904 CD2 TYR A 57 -3.714 10.927 -8.827 1.00 0.00 C ATOM 905 CE1 TYR A 57 -2.463 9.259 -10.633 1.00 0.00 C ATOM 906 CE2 TYR A 57 -2.763 11.438 -9.689 1.00 0.00 C ATOM 907 CZ TYR A 57 -2.140 10.600 -10.590 1.00 0.00 C ATOM 908 OH TYR A 57 -1.192 11.102 -11.452 1.00 0.00 O ATOM 0 H TYR A 57 -7.070 10.101 -8.921 1.00 0.00 H new ATOM 0 HA TYR A 57 -5.761 7.687 -9.449 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -5.560 9.855 -7.361 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -4.609 8.396 -7.165 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -3.667 7.708 -9.804 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -4.200 11.586 -8.122 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -1.974 8.605 -11.339 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -2.509 12.487 -9.658 1.00 0.00 H new ATOM 0 HH TYR A 57 -1.082 12.063 -11.294 1.00 0.00 H new ATOM 918 N LEU A 58 -7.581 7.684 -6.690 1.00 0.00 N ATOM 919 CA LEU A 58 -8.211 6.813 -5.702 1.00 0.00 C ATOM 920 C LEU A 58 -8.947 5.663 -6.381 1.00 0.00 C ATOM 921 O LEU A 58 -8.699 4.493 -6.085 1.00 0.00 O ATOM 922 CB LEU A 58 -9.183 7.614 -4.834 1.00 0.00 C ATOM 923 CG LEU A 58 -8.617 8.875 -4.181 1.00 0.00 C ATOM 924 CD1 LEU A 58 -9.737 9.725 -3.601 1.00 0.00 C ATOM 925 CD2 LEU A 58 -7.609 8.511 -3.101 1.00 0.00 C ATOM 0 H LEU A 58 -7.806 8.673 -6.585 1.00 0.00 H new ATOM 0 HA LEU A 58 -7.428 6.395 -5.069 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -10.037 7.899 -5.448 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -9.560 6.960 -4.048 1.00 0.00 H new ATOM 0 HG LEU A 58 -8.105 9.458 -4.947 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -9.315 10.618 -3.140 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -10.422 10.017 -4.397 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -10.278 9.150 -2.849 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -7.217 9.421 -2.648 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -8.097 7.906 -2.337 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -6.790 7.944 -3.544 1.00 0.00 H new ATOM 937 N ASP A 59 -9.850 6.002 -7.294 1.00 0.00 N ATOM 938 CA ASP A 59 -10.620 4.997 -8.018 1.00 0.00 C ATOM 939 C ASP A 59 -9.697 3.997 -8.707 1.00 0.00 C ATOM 940 O ASP A 59 -9.844 2.786 -8.542 1.00 0.00 O ATOM 941 CB ASP A 59 -11.529 5.666 -9.049 1.00 0.00 C ATOM 942 CG ASP A 59 -12.554 4.708 -9.626 1.00 0.00 C ATOM 943 OD1 ASP A 59 -13.474 4.308 -8.883 1.00 0.00 O ATOM 944 OD2 ASP A 59 -12.435 4.359 -10.819 1.00 0.00 O ATOM 0 H ASP A 59 -10.067 6.965 -7.551 1.00 0.00 H new ATOM 0 HA ASP A 59 -11.236 4.458 -7.298 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -12.043 6.507 -8.584 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -10.920 6.072 -9.857 1.00 0.00 H new ATOM 949 N GLU A 60 -8.746 4.512 -9.480 1.00 0.00 N ATOM 950 CA GLU A 60 -7.800 3.664 -10.195 1.00 0.00 C ATOM 951 C GLU A 60 -7.365 2.485 -9.330 1.00 0.00 C ATOM 952 O GLU A 60 -7.496 1.328 -9.727 1.00 0.00 O ATOM 953 CB GLU A 60 -6.577 4.476 -10.625 1.00 0.00 C ATOM 954 CG GLU A 60 -6.799 5.289 -11.889 1.00 0.00 C ATOM 955 CD GLU A 60 -5.507 5.830 -12.469 1.00 0.00 C ATOM 956 OE1 GLU A 60 -4.793 6.561 -11.752 1.00 0.00 O ATOM 957 OE2 GLU A 60 -5.209 5.521 -13.643 1.00 0.00 O ATOM 0 H GLU A 60 -8.610 5.512 -9.627 1.00 0.00 H new ATOM 0 HA GLU A 60 -8.298 3.275 -11.083 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -6.295 5.149 -9.815 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -5.738 3.798 -10.782 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -7.295 4.667 -12.634 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -7.470 6.119 -11.669 1.00 0.00 H new ATOM 964 N ALA A 61 -6.845 2.789 -8.145 1.00 0.00 N ATOM 965 CA ALA A 61 -6.391 1.756 -7.222 1.00 0.00 C ATOM 966 C ALA A 61 -7.509 0.766 -6.914 1.00 0.00 C ATOM 967 O ALA A 61 -7.272 -0.437 -6.809 1.00 0.00 O ATOM 968 CB ALA A 61 -5.872 2.387 -5.938 1.00 0.00 C ATOM 0 H ALA A 61 -6.728 3.742 -7.802 1.00 0.00 H new ATOM 0 HA ALA A 61 -5.578 1.208 -7.699 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -5.536 1.604 -5.258 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -5.038 3.049 -6.169 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -6.670 2.960 -5.466 1.00 0.00 H new ATOM 974 N GLU A 62 -8.725 1.281 -6.768 1.00 0.00 N ATOM 975 CA GLU A 62 -9.879 0.440 -6.469 1.00 0.00 C ATOM 976 C GLU A 62 -10.130 -0.560 -7.595 1.00 0.00 C ATOM 977 O GLU A 62 -10.147 -1.770 -7.374 1.00 0.00 O ATOM 978 CB GLU A 62 -11.124 1.302 -6.251 1.00 0.00 C ATOM 979 CG GLU A 62 -10.983 2.297 -5.111 1.00 0.00 C ATOM 980 CD GLU A 62 -10.947 1.625 -3.752 1.00 0.00 C ATOM 981 OE1 GLU A 62 -11.776 0.721 -3.515 1.00 0.00 O ATOM 982 OE2 GLU A 62 -10.090 2.002 -2.925 1.00 0.00 O ATOM 0 H GLU A 62 -8.937 2.275 -6.852 1.00 0.00 H new ATOM 0 HA GLU A 62 -9.665 -0.114 -5.555 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -11.346 1.844 -7.170 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -11.976 0.652 -6.051 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -10.070 2.876 -5.250 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -11.815 3.000 -5.143 1.00 0.00 H new ATOM 989 N LYS A 63 -10.326 -0.043 -8.803 1.00 0.00 N ATOM 990 CA LYS A 63 -10.575 -0.887 -9.966 1.00 0.00 C ATOM 991 C LYS A 63 -9.615 -2.072 -9.994 1.00 0.00 C ATOM 992 O LYS A 63 -9.973 -3.162 -10.441 1.00 0.00 O ATOM 993 CB LYS A 63 -10.434 -0.073 -11.253 1.00 0.00 C ATOM 994 CG LYS A 63 -11.635 0.810 -11.549 1.00 0.00 C ATOM 995 CD LYS A 63 -12.764 0.020 -12.188 1.00 0.00 C ATOM 996 CE LYS A 63 -12.484 -0.264 -13.656 1.00 0.00 C ATOM 997 NZ LYS A 63 -12.481 0.982 -14.472 1.00 0.00 N ATOM 0 H LYS A 63 -10.317 0.957 -9.002 1.00 0.00 H new ATOM 0 HA LYS A 63 -11.594 -1.268 -9.895 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -9.543 0.551 -11.182 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -10.280 -0.755 -12.089 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -11.988 1.268 -10.625 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -11.336 1.621 -12.213 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -12.899 -0.920 -11.654 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -13.697 0.576 -12.095 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -11.520 -0.763 -13.752 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -13.238 -0.950 -14.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -12.627 0.742 -15.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -13.246 1.609 -14.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -11.567 1.467 -14.362 1.00 0.00 H new ATOM 1011 N GLU A 64 -8.397 -1.853 -9.510 1.00 0.00 N ATOM 1012 CA GLU A 64 -7.386 -2.903 -9.480 1.00 0.00 C ATOM 1013 C GLU A 64 -7.734 -3.963 -8.440 1.00 0.00 C ATOM 1014 O GLU A 64 -7.512 -5.156 -8.650 1.00 0.00 O ATOM 1015 CB GLU A 64 -6.009 -2.309 -9.179 1.00 0.00 C ATOM 1016 CG GLU A 64 -5.583 -1.231 -10.161 1.00 0.00 C ATOM 1017 CD GLU A 64 -5.019 -1.804 -11.448 1.00 0.00 C ATOM 1018 OE1 GLU A 64 -5.752 -2.541 -12.139 1.00 0.00 O ATOM 1019 OE2 GLU A 64 -3.845 -1.515 -11.762 1.00 0.00 O ATOM 0 H GLU A 64 -8.086 -0.958 -9.133 1.00 0.00 H new ATOM 0 HA GLU A 64 -7.362 -3.376 -10.462 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -6.016 -1.890 -8.173 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -5.268 -3.109 -9.186 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -6.439 -0.598 -10.394 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -4.833 -0.593 -9.692 1.00 0.00 H new ATOM 1026 N LYS A 65 -8.282 -3.519 -7.312 1.00 0.00 N ATOM 1027 CA LYS A 65 -8.662 -4.427 -6.236 1.00 0.00 C ATOM 1028 C LYS A 65 -9.748 -5.394 -6.699 1.00 0.00 C ATOM 1029 O LYS A 65 -9.603 -6.609 -6.571 1.00 0.00 O ATOM 1030 CB LYS A 65 -9.153 -3.634 -5.023 1.00 0.00 C ATOM 1031 CG LYS A 65 -9.746 -4.504 -3.928 1.00 0.00 C ATOM 1032 CD LYS A 65 -10.800 -3.756 -3.130 1.00 0.00 C ATOM 1033 CE LYS A 65 -10.188 -3.030 -1.941 1.00 0.00 C ATOM 1034 NZ LYS A 65 -11.037 -1.894 -1.488 1.00 0.00 N ATOM 0 H LYS A 65 -8.473 -2.535 -7.120 1.00 0.00 H new ATOM 0 HA LYS A 65 -7.782 -5.005 -5.953 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -8.321 -3.063 -4.611 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -9.903 -2.914 -5.350 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -10.189 -5.396 -4.371 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -8.953 -4.840 -3.260 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -11.305 -3.038 -3.776 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -11.558 -4.457 -2.779 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -10.051 -3.732 -1.118 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -9.199 -2.659 -2.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -10.569 -1.404 -0.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -11.175 -1.228 -2.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -11.960 -2.255 -1.174 1.00 0.00 H new ATOM 1048 N GLN A 66 -10.831 -4.846 -7.238 1.00 0.00 N ATOM 1049 CA GLN A 66 -11.940 -5.662 -7.720 1.00 0.00 C ATOM 1050 C GLN A 66 -11.434 -6.977 -8.302 1.00 0.00 C ATOM 1051 O GLN A 66 -12.090 -8.012 -8.180 1.00 0.00 O ATOM 1052 CB GLN A 66 -12.742 -4.898 -8.775 1.00 0.00 C ATOM 1053 CG GLN A 66 -13.716 -3.889 -8.188 1.00 0.00 C ATOM 1054 CD GLN A 66 -13.074 -3.000 -7.141 1.00 0.00 C ATOM 1055 OE1 GLN A 66 -12.624 -1.893 -7.441 1.00 0.00 O ATOM 1056 NE2 GLN A 66 -13.028 -3.480 -5.904 1.00 0.00 N ATOM 0 H GLN A 66 -10.965 -3.841 -7.352 1.00 0.00 H new ATOM 0 HA GLN A 66 -12.589 -5.886 -6.873 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -12.051 -4.379 -9.439 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -13.295 -5.612 -9.386 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -14.118 -3.269 -8.989 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -14.558 -4.419 -7.743 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -13.413 -4.402 -5.700 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -12.608 -2.926 -5.157 1.00 0.00 H new ATOM 1065 N GLN A 67 -10.267 -6.930 -8.934 1.00 0.00 N ATOM 1066 CA GLN A 67 -9.674 -8.119 -9.535 1.00 0.00 C ATOM 1067 C GLN A 67 -8.856 -8.898 -8.511 1.00 0.00 C ATOM 1068 O GLN A 67 -8.938 -10.124 -8.439 1.00 0.00 O ATOM 1069 CB GLN A 67 -8.791 -7.730 -10.722 1.00 0.00 C ATOM 1070 CG GLN A 67 -8.051 -8.905 -11.340 1.00 0.00 C ATOM 1071 CD GLN A 67 -6.805 -8.479 -12.093 1.00 0.00 C ATOM 1072 OE1 GLN A 67 -6.637 -8.799 -13.270 1.00 0.00 O ATOM 1073 NE2 GLN A 67 -5.923 -7.755 -11.414 1.00 0.00 N ATOM 0 H GLN A 67 -9.712 -6.081 -9.044 1.00 0.00 H new ATOM 0 HA GLN A 67 -10.483 -8.758 -9.887 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -9.410 -7.259 -11.486 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -8.065 -6.985 -10.396 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -7.774 -9.609 -10.555 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -8.719 -9.433 -12.020 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -6.104 -7.513 -10.440 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -5.065 -7.441 -11.867 1.00 0.00 H new ATOM 1082 N TYR A 68 -8.067 -8.177 -7.721 1.00 0.00 N ATOM 1083 CA TYR A 68 -7.231 -8.801 -6.701 1.00 0.00 C ATOM 1084 C TYR A 68 -8.084 -9.555 -5.684 1.00 0.00 C ATOM 1085 O TYR A 68 -7.577 -10.375 -4.918 1.00 0.00 O ATOM 1086 CB TYR A 68 -6.384 -7.745 -5.991 1.00 0.00 C ATOM 1087 CG TYR A 68 -6.039 -8.106 -4.564 1.00 0.00 C ATOM 1088 CD1 TYR A 68 -6.959 -7.925 -3.539 1.00 0.00 C ATOM 1089 CD2 TYR A 68 -4.793 -8.629 -4.241 1.00 0.00 C ATOM 1090 CE1 TYR A 68 -6.648 -8.252 -2.233 1.00 0.00 C ATOM 1091 CE2 TYR A 68 -4.474 -8.961 -2.938 1.00 0.00 C ATOM 1092 CZ TYR A 68 -5.404 -8.769 -1.938 1.00 0.00 C ATOM 1093 OH TYR A 68 -5.090 -9.098 -0.639 1.00 0.00 O ATOM 0 H TYR A 68 -7.989 -7.161 -7.767 1.00 0.00 H new ATOM 0 HA TYR A 68 -6.571 -9.515 -7.194 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -5.462 -7.594 -6.552 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -6.921 -6.796 -5.998 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -7.935 -7.522 -3.767 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -4.061 -8.779 -5.021 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -7.375 -8.104 -1.448 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -3.502 -9.369 -2.704 1.00 0.00 H new ATOM 0 HH TYR A 68 -4.176 -9.450 -0.602 1.00 0.00 H new ATOM 1103 N LEU A 69 -9.381 -9.271 -5.685 1.00 0.00 N ATOM 1104 CA LEU A 69 -10.306 -9.922 -4.763 1.00 0.00 C ATOM 1105 C LEU A 69 -10.501 -11.389 -5.132 1.00 0.00 C ATOM 1106 O LEU A 69 -10.205 -12.284 -4.340 1.00 0.00 O ATOM 1107 CB LEU A 69 -11.654 -9.199 -4.769 1.00 0.00 C ATOM 1108 CG LEU A 69 -11.727 -7.907 -3.955 1.00 0.00 C ATOM 1109 CD1 LEU A 69 -13.162 -7.407 -3.873 1.00 0.00 C ATOM 1110 CD2 LEU A 69 -11.154 -8.119 -2.562 1.00 0.00 C ATOM 0 H LEU A 69 -9.816 -8.595 -6.313 1.00 0.00 H new ATOM 0 HA LEU A 69 -9.878 -9.873 -3.762 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -11.916 -8.969 -5.802 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -12.413 -9.885 -4.393 1.00 0.00 H new ATOM 0 HG LEU A 69 -11.128 -7.149 -4.460 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -13.194 -6.487 -3.290 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -13.538 -7.213 -4.878 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -13.784 -8.163 -3.393 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -11.215 -7.188 -1.998 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -11.724 -8.893 -2.048 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -10.112 -8.428 -2.640 1.00 0.00 H new ATOM 1122 N LYS A 70 -10.999 -11.629 -6.340 1.00 0.00 N ATOM 1123 CA LYS A 70 -11.230 -12.987 -6.817 1.00 0.00 C ATOM 1124 C LYS A 70 -9.973 -13.837 -6.670 1.00 0.00 C ATOM 1125 O LYS A 70 -10.049 -15.058 -6.534 1.00 0.00 O ATOM 1126 CB LYS A 70 -11.676 -12.967 -8.281 1.00 0.00 C ATOM 1127 CG LYS A 70 -10.522 -12.967 -9.268 1.00 0.00 C ATOM 1128 CD LYS A 70 -10.098 -14.381 -9.631 1.00 0.00 C ATOM 1129 CE LYS A 70 -11.013 -14.984 -10.685 1.00 0.00 C ATOM 1130 NZ LYS A 70 -10.703 -16.419 -10.932 1.00 0.00 N ATOM 0 H LYS A 70 -11.251 -10.900 -7.007 1.00 0.00 H new ATOM 0 HA LYS A 70 -12.019 -13.429 -6.209 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -12.306 -13.835 -8.472 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -12.290 -12.083 -8.453 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -10.814 -12.431 -10.171 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -9.675 -12.431 -8.839 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -9.073 -14.371 -10.001 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -10.109 -15.006 -8.738 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -12.050 -14.886 -10.364 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -10.913 -14.425 -11.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -11.348 -16.794 -11.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -9.721 -16.510 -11.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -10.823 -16.957 -10.050 1.00 0.00 H new ATOM 1144 N GLU A 71 -8.815 -13.183 -6.696 1.00 0.00 N ATOM 1145 CA GLU A 71 -7.541 -13.880 -6.565 1.00 0.00 C ATOM 1146 C GLU A 71 -7.235 -14.181 -5.100 1.00 0.00 C ATOM 1147 O GLU A 71 -6.119 -14.576 -4.756 1.00 0.00 O ATOM 1148 CB GLU A 71 -6.412 -13.045 -7.172 1.00 0.00 C ATOM 1149 CG GLU A 71 -6.647 -12.669 -8.625 1.00 0.00 C ATOM 1150 CD GLU A 71 -5.398 -12.135 -9.299 1.00 0.00 C ATOM 1151 OE1 GLU A 71 -4.996 -10.995 -8.984 1.00 0.00 O ATOM 1152 OE2 GLU A 71 -4.823 -12.856 -10.140 1.00 0.00 O ATOM 0 H GLU A 71 -8.734 -12.172 -6.807 1.00 0.00 H new ATOM 0 HA GLU A 71 -7.615 -14.824 -7.105 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -6.289 -12.135 -6.585 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -5.478 -13.602 -7.096 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -7.004 -13.543 -9.170 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -7.434 -11.917 -8.679 1.00 0.00 H new ATOM 1159 N LEU A 72 -8.231 -13.993 -4.243 1.00 0.00 N ATOM 1160 CA LEU A 72 -8.070 -14.244 -2.815 1.00 0.00 C ATOM 1161 C LEU A 72 -9.012 -15.349 -2.346 1.00 0.00 C ATOM 1162 O LEU A 72 -8.643 -16.182 -1.518 1.00 0.00 O ATOM 1163 CB LEU A 72 -8.329 -12.964 -2.018 1.00 0.00 C ATOM 1164 CG LEU A 72 -8.077 -13.047 -0.513 1.00 0.00 C ATOM 1165 CD1 LEU A 72 -6.668 -13.549 -0.235 1.00 0.00 C ATOM 1166 CD2 LEU A 72 -8.300 -11.690 0.140 1.00 0.00 C ATOM 0 H LEU A 72 -9.160 -13.667 -4.512 1.00 0.00 H new ATOM 0 HA LEU A 72 -7.044 -14.569 -2.643 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -7.702 -12.172 -2.428 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -9.365 -12.665 -2.176 1.00 0.00 H new ATOM 0 HG LEU A 72 -8.785 -13.756 -0.083 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -6.506 -13.602 0.842 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -6.543 -14.541 -0.670 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -5.944 -12.865 -0.677 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -8.116 -11.767 1.212 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -7.616 -10.961 -0.294 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -9.328 -11.369 -0.030 1.00 0.00 H new ATOM 1178 N TRP A 73 -10.227 -15.349 -2.881 1.00 0.00 N ATOM 1179 CA TRP A 73 -11.222 -16.351 -2.518 1.00 0.00 C ATOM 1180 C TRP A 73 -11.432 -17.346 -3.655 1.00 0.00 C ATOM 1181 O TRP A 73 -11.515 -18.552 -3.429 1.00 0.00 O ATOM 1182 CB TRP A 73 -12.548 -15.679 -2.162 1.00 0.00 C ATOM 1183 CG TRP A 73 -12.963 -14.625 -3.143 1.00 0.00 C ATOM 1184 CD1 TRP A 73 -12.389 -13.398 -3.320 1.00 0.00 C ATOM 1185 CD2 TRP A 73 -14.042 -14.704 -4.082 1.00 0.00 C ATOM 1186 NE1 TRP A 73 -13.046 -12.710 -4.311 1.00 0.00 N ATOM 1187 CE2 TRP A 73 -14.063 -13.490 -4.795 1.00 0.00 C ATOM 1188 CE3 TRP A 73 -14.989 -15.683 -4.390 1.00 0.00 C ATOM 1189 CZ2 TRP A 73 -14.996 -13.232 -5.796 1.00 0.00 C ATOM 1190 CZ3 TRP A 73 -15.915 -15.425 -5.382 1.00 0.00 C ATOM 1191 CH2 TRP A 73 -15.913 -14.208 -6.076 1.00 0.00 C ATOM 0 H TRP A 73 -10.547 -14.666 -3.568 1.00 0.00 H new ATOM 0 HA TRP A 73 -10.853 -16.894 -1.648 1.00 0.00 H new ATOM 0 HB2 TRP A 73 -13.328 -16.438 -2.104 1.00 0.00 H new ATOM 0 HB3 TRP A 73 -12.465 -15.231 -1.172 1.00 0.00 H new ATOM 0 HD1 TRP A 73 -11.543 -13.024 -2.763 1.00 0.00 H new ATOM 0 HE1 TRP A 73 -12.814 -11.771 -4.634 1.00 0.00 H new ATOM 0 HE3 TRP A 73 -14.997 -16.625 -3.862 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 -14.996 -12.295 -6.332 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 -16.653 -16.174 -5.627 1.00 0.00 H new ATOM 0 HH2 TRP A 73 -16.650 -14.037 -6.847 1.00 0.00 H new ATOM 1202 N ALA A 74 -11.515 -16.831 -4.878 1.00 0.00 N ATOM 1203 CA ALA A 74 -11.713 -17.675 -6.050 1.00 0.00 C ATOM 1204 C ALA A 74 -10.584 -18.690 -6.191 1.00 0.00 C ATOM 1205 O ALA A 74 -10.704 -19.668 -6.931 1.00 0.00 O ATOM 1206 CB ALA A 74 -11.816 -16.820 -7.304 1.00 0.00 C ATOM 0 H ALA A 74 -11.448 -15.834 -5.082 1.00 0.00 H new ATOM 0 HA ALA A 74 -12.646 -18.223 -5.920 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -11.964 -17.463 -8.172 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -12.660 -16.137 -7.210 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -10.898 -16.246 -7.430 1.00 0.00 H new ATOM 1212 N TYR A 75 -9.488 -18.454 -5.479 1.00 0.00 N ATOM 1213 CA TYR A 75 -8.337 -19.347 -5.529 1.00 0.00 C ATOM 1214 C TYR A 75 -8.271 -20.220 -4.280 1.00 0.00 C ATOM 1215 O TYR A 75 -8.107 -21.437 -4.369 1.00 0.00 O ATOM 1216 CB TYR A 75 -7.044 -18.540 -5.669 1.00 0.00 C ATOM 1217 CG TYR A 75 -5.839 -19.217 -5.058 1.00 0.00 C ATOM 1218 CD1 TYR A 75 -5.326 -20.389 -5.599 1.00 0.00 C ATOM 1219 CD2 TYR A 75 -5.211 -18.683 -3.938 1.00 0.00 C ATOM 1220 CE1 TYR A 75 -4.225 -21.011 -5.044 1.00 0.00 C ATOM 1221 CE2 TYR A 75 -4.108 -19.297 -3.377 1.00 0.00 C ATOM 1222 CZ TYR A 75 -3.620 -20.462 -3.933 1.00 0.00 C ATOM 1223 OH TYR A 75 -2.522 -21.077 -3.377 1.00 0.00 O ATOM 0 H TYR A 75 -9.372 -17.651 -4.860 1.00 0.00 H new ATOM 0 HA TYR A 75 -8.449 -19.995 -6.398 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -6.851 -18.359 -6.726 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -7.181 -17.566 -5.199 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -5.797 -20.822 -6.469 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -5.592 -17.773 -3.499 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -3.840 -21.922 -5.478 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -3.630 -18.868 -2.509 1.00 0.00 H new ATOM 0 HH TYR A 75 -2.216 -20.562 -2.602 1.00 0.00 H new ATOM 1233 N GLN A 76 -8.401 -19.590 -3.118 1.00 0.00 N ATOM 1234 CA GLN A 76 -8.357 -20.310 -1.850 1.00 0.00 C ATOM 1235 C GLN A 76 -9.356 -21.461 -1.843 1.00 0.00 C ATOM 1236 O GLN A 76 -9.183 -22.440 -1.117 1.00 0.00 O ATOM 1237 CB GLN A 76 -8.648 -19.357 -0.688 1.00 0.00 C ATOM 1238 CG GLN A 76 -7.429 -18.581 -0.217 1.00 0.00 C ATOM 1239 CD GLN A 76 -7.627 -17.957 1.150 1.00 0.00 C ATOM 1240 OE1 GLN A 76 -7.115 -18.456 2.153 1.00 0.00 O ATOM 1241 NE2 GLN A 76 -8.372 -16.860 1.197 1.00 0.00 N ATOM 0 H GLN A 76 -8.538 -18.583 -3.027 1.00 0.00 H new ATOM 0 HA GLN A 76 -7.355 -20.723 -1.729 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -9.422 -18.652 -0.992 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -9.049 -19.929 0.148 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -6.568 -19.248 -0.186 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -7.200 -17.798 -0.940 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -8.777 -16.481 0.341 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -8.540 -16.395 2.089 1.00 0.00 H new ATOM 1250 N GLN A 77 -10.402 -21.335 -2.653 1.00 0.00 N ATOM 1251 CA GLN A 77 -11.430 -22.366 -2.738 1.00 0.00 C ATOM 1252 C GLN A 77 -11.166 -23.302 -3.912 1.00 0.00 C ATOM 1253 O GLN A 77 -12.084 -23.941 -4.428 1.00 0.00 O ATOM 1254 CB GLN A 77 -12.813 -21.726 -2.881 1.00 0.00 C ATOM 1255 CG GLN A 77 -12.962 -20.875 -4.131 1.00 0.00 C ATOM 1256 CD GLN A 77 -13.510 -21.658 -5.308 1.00 0.00 C ATOM 1257 OE1 GLN A 77 -12.821 -21.859 -6.309 1.00 0.00 O ATOM 1258 NE2 GLN A 77 -14.755 -22.106 -5.194 1.00 0.00 N ATOM 0 H GLN A 77 -10.560 -20.530 -3.259 1.00 0.00 H new ATOM 0 HA GLN A 77 -11.401 -22.950 -1.818 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -13.568 -22.512 -2.894 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -13.011 -21.108 -2.005 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -13.624 -20.036 -3.918 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -11.992 -20.456 -4.398 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -15.290 -21.916 -4.346 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -15.176 -22.640 -5.954 1.00 0.00 H new ATOM 1267 N SER A 78 -9.907 -23.379 -4.330 1.00 0.00 N ATOM 1268 CA SER A 78 -9.523 -24.236 -5.446 1.00 0.00 C ATOM 1269 C SER A 78 -8.822 -25.495 -4.949 1.00 0.00 C ATOM 1270 O SER A 78 -8.257 -25.513 -3.856 1.00 0.00 O ATOM 1271 CB SER A 78 -8.608 -23.474 -6.408 1.00 0.00 C ATOM 1272 OG SER A 78 -9.065 -22.148 -6.606 1.00 0.00 O ATOM 0 H SER A 78 -9.135 -22.859 -3.913 1.00 0.00 H new ATOM 0 HA SER A 78 -10.429 -24.532 -5.974 1.00 0.00 H new ATOM 0 HB2 SER A 78 -7.593 -23.456 -6.012 1.00 0.00 H new ATOM 0 HB3 SER A 78 -8.568 -23.994 -7.365 1.00 0.00 H new ATOM 0 HG SER A 78 -10.043 -22.128 -6.554 1.00 0.00 H new ATOM 1278 N GLU A 79 -8.864 -26.548 -5.760 1.00 0.00 N ATOM 1279 CA GLU A 79 -8.233 -27.813 -5.402 1.00 0.00 C ATOM 1280 C GLU A 79 -6.744 -27.621 -5.132 1.00 0.00 C ATOM 1281 O GLU A 79 -6.191 -28.204 -4.200 1.00 0.00 O ATOM 1282 CB GLU A 79 -8.433 -28.841 -6.517 1.00 0.00 C ATOM 1283 CG GLU A 79 -7.746 -30.170 -6.250 1.00 0.00 C ATOM 1284 CD GLU A 79 -7.772 -31.093 -7.453 1.00 0.00 C ATOM 1285 OE1 GLU A 79 -8.803 -31.763 -7.665 1.00 0.00 O ATOM 1286 OE2 GLU A 79 -6.759 -31.144 -8.182 1.00 0.00 O ATOM 0 H GLU A 79 -9.328 -26.550 -6.668 1.00 0.00 H new ATOM 0 HA GLU A 79 -8.705 -28.180 -4.491 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -9.501 -29.014 -6.653 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -8.056 -28.428 -7.452 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -6.711 -29.988 -5.959 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -8.232 -30.663 -5.408 1.00 0.00 H new ATOM 1293 N ALA A 80 -6.100 -26.800 -5.956 1.00 0.00 N ATOM 1294 CA ALA A 80 -4.676 -26.530 -5.806 1.00 0.00 C ATOM 1295 C ALA A 80 -4.361 -25.998 -4.412 1.00 0.00 C ATOM 1296 O ALA A 80 -3.214 -26.035 -3.966 1.00 0.00 O ATOM 1297 CB ALA A 80 -4.211 -25.543 -6.866 1.00 0.00 C ATOM 0 H ALA A 80 -6.542 -26.311 -6.734 1.00 0.00 H new ATOM 0 HA ALA A 80 -4.139 -27.469 -5.938 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -3.145 -25.351 -6.742 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -4.391 -25.961 -7.856 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -4.763 -24.609 -6.761 1.00 0.00 H new ATOM 1303 N TYR A 81 -5.387 -25.503 -3.727 1.00 0.00 N ATOM 1304 CA TYR A 81 -5.219 -24.961 -2.384 1.00 0.00 C ATOM 1305 C TYR A 81 -5.165 -26.079 -1.348 1.00 0.00 C ATOM 1306 O TYR A 81 -4.405 -26.011 -0.381 1.00 0.00 O ATOM 1307 CB TYR A 81 -6.361 -24.000 -2.053 1.00 0.00 C ATOM 1308 CG TYR A 81 -6.223 -23.337 -0.702 1.00 0.00 C ATOM 1309 CD1 TYR A 81 -5.209 -22.419 -0.457 1.00 0.00 C ATOM 1310 CD2 TYR A 81 -7.108 -23.627 0.330 1.00 0.00 C ATOM 1311 CE1 TYR A 81 -5.078 -21.811 0.777 1.00 0.00 C ATOM 1312 CE2 TYR A 81 -6.985 -23.023 1.566 1.00 0.00 C ATOM 1313 CZ TYR A 81 -5.969 -22.117 1.785 1.00 0.00 C ATOM 1314 OH TYR A 81 -5.843 -21.512 3.016 1.00 0.00 O ATOM 0 H TYR A 81 -6.343 -25.466 -4.080 1.00 0.00 H new ATOM 0 HA TYR A 81 -4.275 -24.417 -2.355 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -6.411 -23.230 -2.823 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -7.304 -24.545 -2.086 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -4.511 -22.176 -1.245 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -7.905 -24.336 0.163 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -4.283 -21.101 0.951 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -7.681 -23.259 2.357 1.00 0.00 H new ATOM 0 HH TYR A 81 -6.549 -21.836 3.613 1.00 0.00 H new ATOM 1324 N LYS A 82 -5.976 -27.110 -1.556 1.00 0.00 N ATOM 1325 CA LYS A 82 -6.023 -28.246 -0.643 1.00 0.00 C ATOM 1326 C LYS A 82 -4.800 -29.142 -0.826 1.00 0.00 C ATOM 1327 O LYS A 82 -4.126 -29.494 0.141 1.00 0.00 O ATOM 1328 CB LYS A 82 -7.300 -29.057 -0.868 1.00 0.00 C ATOM 1329 CG LYS A 82 -8.558 -28.356 -0.385 1.00 0.00 C ATOM 1330 CD LYS A 82 -9.767 -29.275 -0.448 1.00 0.00 C ATOM 1331 CE LYS A 82 -11.067 -28.493 -0.336 1.00 0.00 C ATOM 1332 NZ LYS A 82 -11.291 -27.983 1.045 1.00 0.00 N ATOM 0 H LYS A 82 -6.611 -27.183 -2.351 1.00 0.00 H new ATOM 0 HA LYS A 82 -6.021 -27.860 0.376 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -7.400 -29.274 -1.932 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -7.208 -30.014 -0.355 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -8.414 -28.012 0.639 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -8.740 -27.471 -0.995 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -9.755 -29.831 -1.386 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -9.711 -30.008 0.357 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -11.048 -27.656 -1.034 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -11.901 -29.132 -0.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -12.187 -27.456 1.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -11.334 -28.783 1.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -10.508 -27.353 1.314 1.00 0.00 H new ATOM 1346 N VAL A 83 -4.521 -29.503 -2.074 1.00 0.00 N ATOM 1347 CA VAL A 83 -3.378 -30.355 -2.385 1.00 0.00 C ATOM 1348 C VAL A 83 -2.125 -29.879 -1.659 1.00 0.00 C ATOM 1349 O VAL A 83 -1.323 -30.688 -1.191 1.00 0.00 O ATOM 1350 CB VAL A 83 -3.099 -30.390 -3.899 1.00 0.00 C ATOM 1351 CG1 VAL A 83 -2.398 -29.115 -4.343 1.00 0.00 C ATOM 1352 CG2 VAL A 83 -2.275 -31.616 -4.261 1.00 0.00 C ATOM 0 H VAL A 83 -5.070 -29.220 -2.886 1.00 0.00 H new ATOM 0 HA VAL A 83 -3.631 -31.360 -2.047 1.00 0.00 H new ATOM 0 HB VAL A 83 -4.052 -30.454 -4.425 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -2.209 -29.158 -5.416 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -3.030 -28.256 -4.120 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -1.451 -29.016 -3.812 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -2.087 -31.624 -5.335 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -1.325 -31.587 -3.727 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -2.821 -32.517 -3.981 1.00 0.00 H new ATOM 1362 N CYS A 84 -1.963 -28.565 -1.570 1.00 0.00 N ATOM 1363 CA CYS A 84 -0.806 -27.980 -0.901 1.00 0.00 C ATOM 1364 C CYS A 84 -0.571 -28.640 0.454 1.00 0.00 C ATOM 1365 O CYS A 84 -1.371 -29.461 0.905 1.00 0.00 O ATOM 1366 CB CYS A 84 -1.002 -26.473 -0.721 1.00 0.00 C ATOM 1367 SG CYS A 84 0.539 -25.528 -0.689 1.00 0.00 S ATOM 0 H CYS A 84 -2.618 -27.883 -1.953 1.00 0.00 H new ATOM 0 HA CYS A 84 0.070 -28.153 -1.526 1.00 0.00 H new ATOM 0 HB2 CYS A 84 -1.628 -26.099 -1.531 1.00 0.00 H new ATOM 0 HB3 CYS A 84 -1.544 -26.296 0.208 1.00 0.00 H new ATOM 0 HG CYS A 84 0.271 -24.265 -0.535 1.00 0.00 H new ATOM 1373 N THR A 85 0.533 -28.277 1.100 1.00 0.00 N ATOM 1374 CA THR A 85 0.876 -28.836 2.402 1.00 0.00 C ATOM 1375 C THR A 85 0.430 -27.914 3.530 1.00 0.00 C ATOM 1376 O THR A 85 1.159 -27.004 3.926 1.00 0.00 O ATOM 1377 CB THR A 85 2.391 -29.084 2.525 1.00 0.00 C ATOM 1378 OG1 THR A 85 3.112 -27.887 2.206 1.00 0.00 O ATOM 1379 CG2 THR A 85 2.833 -30.209 1.601 1.00 0.00 C ATOM 0 H THR A 85 1.205 -27.598 0.742 1.00 0.00 H new ATOM 0 HA THR A 85 0.352 -29.788 2.486 1.00 0.00 H new ATOM 0 HB THR A 85 2.606 -29.374 3.553 1.00 0.00 H new ATOM 0 HG1 THR A 85 2.740 -27.136 2.714 1.00 0.00 H new ATOM 0 HG21 THR A 85 3.907 -30.365 1.706 1.00 0.00 H new ATOM 0 HG22 THR A 85 2.305 -31.125 1.865 1.00 0.00 H new ATOM 0 HG23 THR A 85 2.604 -29.943 0.569 1.00 0.00 H new ATOM 1387 N GLU A 86 -0.772 -28.154 4.045 1.00 0.00 N ATOM 1388 CA GLU A 86 -1.313 -27.343 5.130 1.00 0.00 C ATOM 1389 C GLU A 86 -2.434 -28.084 5.854 1.00 0.00 C ATOM 1390 O GLU A 86 -3.415 -28.502 5.240 1.00 0.00 O ATOM 1391 CB GLU A 86 -1.836 -26.011 4.587 1.00 0.00 C ATOM 1392 CG GLU A 86 -2.584 -25.185 5.620 1.00 0.00 C ATOM 1393 CD GLU A 86 -2.603 -23.707 5.283 1.00 0.00 C ATOM 1394 OE1 GLU A 86 -2.396 -23.364 4.100 1.00 0.00 O ATOM 1395 OE2 GLU A 86 -2.825 -22.892 6.203 1.00 0.00 O ATOM 0 H GLU A 86 -1.389 -28.902 3.729 1.00 0.00 H new ATOM 0 HA GLU A 86 -0.510 -27.148 5.841 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -0.997 -25.429 4.207 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -2.497 -26.207 3.743 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -3.608 -25.549 5.698 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -2.121 -25.325 6.597 1.00 0.00 H new ATOM 1402 N SER A 87 -2.278 -28.241 7.166 1.00 0.00 N ATOM 1403 CA SER A 87 -3.273 -28.935 7.975 1.00 0.00 C ATOM 1404 C SER A 87 -4.677 -28.423 7.666 1.00 0.00 C ATOM 1405 O SER A 87 -4.845 -27.372 7.049 1.00 0.00 O ATOM 1406 CB SER A 87 -2.968 -28.753 9.462 1.00 0.00 C ATOM 1407 OG SER A 87 -1.650 -29.174 9.767 1.00 0.00 O ATOM 0 H SER A 87 -1.473 -27.897 7.690 1.00 0.00 H new ATOM 0 HA SER A 87 -3.230 -29.996 7.729 1.00 0.00 H new ATOM 0 HB2 SER A 87 -3.091 -27.705 9.736 1.00 0.00 H new ATOM 0 HB3 SER A 87 -3.682 -29.324 10.056 1.00 0.00 H new ATOM 0 HG SER A 87 -1.479 -29.046 10.723 1.00 0.00 H new ATOM 1413 N GLY A 88 -5.683 -29.175 8.101 1.00 0.00 N ATOM 1414 CA GLY A 88 -7.061 -28.782 7.862 1.00 0.00 C ATOM 1415 C GLY A 88 -8.054 -29.737 8.495 1.00 0.00 C ATOM 1416 O GLY A 88 -7.683 -30.755 9.079 1.00 0.00 O ATOM 0 H GLY A 88 -5.569 -30.049 8.614 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -7.223 -27.779 8.257 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -7.241 -28.735 6.788 1.00 0.00 H new ATOM 1420 N PRO A 89 -9.349 -29.408 8.385 1.00 0.00 N ATOM 1421 CA PRO A 89 -10.425 -30.230 8.945 1.00 0.00 C ATOM 1422 C PRO A 89 -10.596 -31.549 8.200 1.00 0.00 C ATOM 1423 O PRO A 89 -10.255 -31.655 7.021 1.00 0.00 O ATOM 1424 CB PRO A 89 -11.668 -29.354 8.772 1.00 0.00 C ATOM 1425 CG PRO A 89 -11.344 -28.458 7.626 1.00 0.00 C ATOM 1426 CD PRO A 89 -9.864 -28.208 7.702 1.00 0.00 C ATOM 0 HA PRO A 89 -10.225 -30.512 9.979 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -12.552 -29.957 8.565 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -11.877 -28.781 9.675 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -11.613 -28.924 6.678 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -11.902 -27.524 7.691 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -9.425 -28.090 6.711 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -9.638 -27.300 8.261 1.00 0.00 H new ATOM 1434 N SER A 90 -11.124 -32.553 8.894 1.00 0.00 N ATOM 1435 CA SER A 90 -11.336 -33.867 8.298 1.00 0.00 C ATOM 1436 C SER A 90 -12.820 -34.221 8.279 1.00 0.00 C ATOM 1437 O SER A 90 -13.325 -34.875 9.191 1.00 0.00 O ATOM 1438 CB SER A 90 -10.555 -34.932 9.070 1.00 0.00 C ATOM 1439 OG SER A 90 -10.873 -36.233 8.606 1.00 0.00 O ATOM 0 H SER A 90 -11.413 -32.481 9.870 1.00 0.00 H new ATOM 0 HA SER A 90 -10.975 -33.836 7.270 1.00 0.00 H new ATOM 0 HB2 SER A 90 -9.485 -34.754 8.960 1.00 0.00 H new ATOM 0 HB3 SER A 90 -10.783 -34.856 10.133 1.00 0.00 H new ATOM 0 HG SER A 90 -10.360 -36.896 9.114 1.00 0.00 H new ATOM 1445 N SER A 91 -13.513 -33.784 7.231 1.00 0.00 N ATOM 1446 CA SER A 91 -14.939 -34.052 7.094 1.00 0.00 C ATOM 1447 C SER A 91 -15.261 -35.492 7.480 1.00 0.00 C ATOM 1448 O SER A 91 -16.166 -35.746 8.274 1.00 0.00 O ATOM 1449 CB SER A 91 -15.394 -33.782 5.657 1.00 0.00 C ATOM 1450 OG SER A 91 -15.647 -32.404 5.452 1.00 0.00 O ATOM 0 H SER A 91 -13.110 -33.244 6.466 1.00 0.00 H new ATOM 0 HA SER A 91 -15.476 -33.385 7.769 1.00 0.00 H new ATOM 0 HB2 SER A 91 -14.628 -34.122 4.960 1.00 0.00 H new ATOM 0 HB3 SER A 91 -16.296 -34.356 5.444 1.00 0.00 H new ATOM 0 HG SER A 91 -15.934 -32.258 4.526 1.00 0.00 H new ATOM 1456 N GLY A 92 -14.513 -36.432 6.911 1.00 0.00 N ATOM 1457 CA GLY A 92 -14.734 -37.836 7.208 1.00 0.00 C ATOM 1458 C GLY A 92 -14.667 -38.133 8.693 1.00 0.00 C ATOM 1459 O GLY A 92 -15.544 -38.801 9.239 1.00 0.00 O ATOM 0 H GLY A 92 -13.758 -36.247 6.250 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -15.709 -38.136 6.824 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -13.988 -38.436 6.687 1.00 0.00 H new TER 1463 GLY A 92