USER MOD reduce.3.24.130724 H: found=0, std=0, add=536, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 534 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 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 10 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00684) USER MOD Single : A 11 TYR OH : rot 87:sc= 0.0903 USER MOD Single : A 13 THR OG1 : rot 155:sc= 1.17 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -0.475 X(o=-0.47,f=-0.06) USER MOD Single : A 21 SER OG : rot 180:sc= -0.0027 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -135:sc= 0.833 (180deg=-0.339!) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 ASN : amide:sc= -0.571 K(o=-0.57,f=-6.3!) USER MOD Single : A 45 TYR OH : rot -57:sc= 0.217 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 145:sc= 0.178 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -7.108 12.651 12.871 1.00 0.00 N ATOM 2 CA GLY A 1 -6.715 14.003 13.223 1.00 0.00 C ATOM 3 C GLY A 1 -5.213 14.203 13.167 1.00 0.00 C ATOM 4 O GLY A 1 -4.622 14.774 14.083 1.00 0.00 O ATOM 0 H1 GLY A 1 -8.143 12.565 12.924 1.00 0.00 H new ATOM 0 H2 GLY A 1 -6.792 12.439 11.903 1.00 0.00 H new ATOM 0 H3 GLY A 1 -6.670 11.979 13.533 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -7.198 14.707 12.545 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -7.072 14.232 14.227 1.00 0.00 H new ATOM 8 N SER A 2 -4.595 13.733 12.088 1.00 0.00 N ATOM 9 CA SER A 2 -3.151 13.858 11.920 1.00 0.00 C ATOM 10 C SER A 2 -2.780 13.892 10.440 1.00 0.00 C ATOM 11 O SER A 2 -3.612 13.626 9.573 1.00 0.00 O ATOM 12 CB SER A 2 -2.433 12.698 12.611 1.00 0.00 C ATOM 13 OG SER A 2 -2.915 11.449 12.146 1.00 0.00 O ATOM 0 H SER A 2 -5.071 13.263 11.318 1.00 0.00 H new ATOM 0 HA SER A 2 -2.835 14.795 12.379 1.00 0.00 H new ATOM 0 HB2 SER A 2 -1.361 12.769 12.427 1.00 0.00 H new ATOM 0 HB3 SER A 2 -2.577 12.768 13.689 1.00 0.00 H new ATOM 0 HG SER A 2 -2.439 10.724 12.602 1.00 0.00 H new ATOM 19 N SER A 3 -1.523 14.223 10.160 1.00 0.00 N ATOM 20 CA SER A 3 -1.039 14.297 8.786 1.00 0.00 C ATOM 21 C SER A 3 -1.578 13.133 7.958 1.00 0.00 C ATOM 22 O SER A 3 -1.394 11.969 8.310 1.00 0.00 O ATOM 23 CB SER A 3 0.490 14.291 8.760 1.00 0.00 C ATOM 24 OG SER A 3 1.012 15.513 9.254 1.00 0.00 O ATOM 0 H SER A 3 -0.821 14.444 10.867 1.00 0.00 H new ATOM 0 HA SER A 3 -1.398 15.229 8.350 1.00 0.00 H new ATOM 0 HB2 SER A 3 0.864 13.462 9.361 1.00 0.00 H new ATOM 0 HB3 SER A 3 0.839 14.128 7.740 1.00 0.00 H new ATOM 0 HG SER A 3 1.991 15.484 9.229 1.00 0.00 H new ATOM 30 N GLY A 4 -2.245 13.459 6.855 1.00 0.00 N ATOM 31 CA GLY A 4 -2.801 12.432 5.993 1.00 0.00 C ATOM 32 C GLY A 4 -3.663 13.007 4.887 1.00 0.00 C ATOM 33 O GLY A 4 -4.890 12.964 4.962 1.00 0.00 O ATOM 0 H GLY A 4 -2.410 14.416 6.543 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -1.989 11.853 5.553 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -3.396 11.742 6.592 1.00 0.00 H new ATOM 37 N SER A 5 -3.020 13.548 3.858 1.00 0.00 N ATOM 38 CA SER A 5 -3.736 14.139 2.734 1.00 0.00 C ATOM 39 C SER A 5 -3.413 13.404 1.437 1.00 0.00 C ATOM 40 O SER A 5 -4.311 12.937 0.736 1.00 0.00 O ATOM 41 CB SER A 5 -3.378 15.620 2.597 1.00 0.00 C ATOM 42 OG SER A 5 -3.917 16.378 3.666 1.00 0.00 O ATOM 0 H SER A 5 -2.004 13.589 3.779 1.00 0.00 H new ATOM 0 HA SER A 5 -4.805 14.047 2.927 1.00 0.00 H new ATOM 0 HB2 SER A 5 -2.294 15.735 2.577 1.00 0.00 H new ATOM 0 HB3 SER A 5 -3.757 16.002 1.649 1.00 0.00 H new ATOM 0 HG SER A 5 -3.672 17.320 3.555 1.00 0.00 H new ATOM 48 N SER A 6 -2.125 13.305 1.124 1.00 0.00 N ATOM 49 CA SER A 6 -1.683 12.630 -0.090 1.00 0.00 C ATOM 50 C SER A 6 -0.772 11.452 0.244 1.00 0.00 C ATOM 51 O SER A 6 0.227 11.215 -0.432 1.00 0.00 O ATOM 52 CB SER A 6 -0.950 13.612 -1.006 1.00 0.00 C ATOM 53 OG SER A 6 0.145 14.214 -0.338 1.00 0.00 O ATOM 0 H SER A 6 -1.369 13.684 1.695 1.00 0.00 H new ATOM 0 HA SER A 6 -2.564 12.250 -0.607 1.00 0.00 H new ATOM 0 HB2 SER A 6 -0.595 13.090 -1.894 1.00 0.00 H new ATOM 0 HB3 SER A 6 -1.642 14.383 -1.345 1.00 0.00 H new ATOM 0 HG SER A 6 0.597 14.836 -0.946 1.00 0.00 H new ATOM 59 N GLY A 7 -1.127 10.717 1.294 1.00 0.00 N ATOM 60 CA GLY A 7 -0.331 9.574 1.701 1.00 0.00 C ATOM 61 C GLY A 7 0.899 9.974 2.491 1.00 0.00 C ATOM 62 O GLY A 7 1.284 11.142 2.502 1.00 0.00 O ATOM 0 H GLY A 7 -1.951 10.893 1.869 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -0.944 8.905 2.304 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.025 9.015 0.817 1.00 0.00 H new ATOM 66 N GLU A 8 1.516 9.002 3.156 1.00 0.00 N ATOM 67 CA GLU A 8 2.707 9.261 3.954 1.00 0.00 C ATOM 68 C GLU A 8 3.930 8.581 3.343 1.00 0.00 C ATOM 69 O GLU A 8 4.890 9.244 2.951 1.00 0.00 O ATOM 70 CB GLU A 8 2.503 8.772 5.390 1.00 0.00 C ATOM 71 CG GLU A 8 1.341 9.444 6.102 1.00 0.00 C ATOM 72 CD GLU A 8 1.587 10.919 6.353 1.00 0.00 C ATOM 73 OE1 GLU A 8 2.761 11.302 6.535 1.00 0.00 O ATOM 74 OE2 GLU A 8 0.604 11.690 6.368 1.00 0.00 O ATOM 0 H GLU A 8 1.210 8.029 3.157 1.00 0.00 H new ATOM 0 HA GLU A 8 2.878 10.337 3.965 1.00 0.00 H new ATOM 0 HB2 GLU A 8 2.337 7.695 5.378 1.00 0.00 H new ATOM 0 HB3 GLU A 8 3.417 8.947 5.958 1.00 0.00 H new ATOM 0 HG2 GLU A 8 0.437 9.326 5.505 1.00 0.00 H new ATOM 0 HG3 GLU A 8 1.163 8.942 7.053 1.00 0.00 H new ATOM 81 N GLU A 9 3.886 7.254 3.266 1.00 0.00 N ATOM 82 CA GLU A 9 4.991 6.486 2.705 1.00 0.00 C ATOM 83 C GLU A 9 4.529 5.670 1.501 1.00 0.00 C ATOM 84 O GLU A 9 3.578 4.892 1.592 1.00 0.00 O ATOM 85 CB GLU A 9 5.587 5.557 3.766 1.00 0.00 C ATOM 86 CG GLU A 9 6.523 6.262 4.734 1.00 0.00 C ATOM 87 CD GLU A 9 7.859 6.606 4.106 1.00 0.00 C ATOM 88 OE1 GLU A 9 7.888 7.472 3.207 1.00 0.00 O ATOM 89 OE2 GLU A 9 8.878 6.008 4.513 1.00 0.00 O ATOM 0 H GLU A 9 3.098 6.690 3.585 1.00 0.00 H new ATOM 0 HA GLU A 9 5.757 7.188 2.375 1.00 0.00 H new ATOM 0 HB2 GLU A 9 4.776 5.095 4.329 1.00 0.00 H new ATOM 0 HB3 GLU A 9 6.130 4.753 3.269 1.00 0.00 H new ATOM 0 HG2 GLU A 9 6.048 7.175 5.093 1.00 0.00 H new ATOM 0 HG3 GLU A 9 6.687 5.626 5.603 1.00 0.00 H new ATOM 96 N LYS A 10 5.207 5.853 0.373 1.00 0.00 N ATOM 97 CA LYS A 10 4.869 5.135 -0.849 1.00 0.00 C ATOM 98 C LYS A 10 5.556 3.774 -0.889 1.00 0.00 C ATOM 99 O LYS A 10 6.781 3.689 -0.977 1.00 0.00 O ATOM 100 CB LYS A 10 5.270 5.957 -2.076 1.00 0.00 C ATOM 101 CG LYS A 10 4.207 6.947 -2.520 1.00 0.00 C ATOM 102 CD LYS A 10 4.299 7.233 -4.010 1.00 0.00 C ATOM 103 CE LYS A 10 2.944 7.610 -4.589 1.00 0.00 C ATOM 104 NZ LYS A 10 2.437 8.892 -4.024 1.00 0.00 N ATOM 0 H LYS A 10 5.995 6.494 0.280 1.00 0.00 H new ATOM 0 HA LYS A 10 3.790 4.978 -0.861 1.00 0.00 H new ATOM 0 HB2 LYS A 10 6.189 6.499 -1.855 1.00 0.00 H new ATOM 0 HB3 LYS A 10 5.490 5.279 -2.901 1.00 0.00 H new ATOM 0 HG2 LYS A 10 3.219 6.551 -2.285 1.00 0.00 H new ATOM 0 HG3 LYS A 10 4.319 7.877 -1.962 1.00 0.00 H new ATOM 0 HD2 LYS A 10 5.008 8.043 -4.183 1.00 0.00 H new ATOM 0 HD3 LYS A 10 4.685 6.355 -4.527 1.00 0.00 H new ATOM 0 HE2 LYS A 10 3.023 7.697 -5.673 1.00 0.00 H new ATOM 0 HE3 LYS A 10 2.228 6.814 -4.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 1.536 9.140 -4.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 2.289 8.786 -3.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 3.132 9.646 -4.197 1.00 0.00 H new ATOM 118 N TYR A 11 4.761 2.712 -0.824 1.00 0.00 N ATOM 119 CA TYR A 11 5.293 1.355 -0.853 1.00 0.00 C ATOM 120 C TYR A 11 4.988 0.677 -2.185 1.00 0.00 C ATOM 121 O TYR A 11 4.134 1.132 -2.945 1.00 0.00 O ATOM 122 CB TYR A 11 4.708 0.532 0.296 1.00 0.00 C ATOM 123 CG TYR A 11 5.508 0.625 1.576 1.00 0.00 C ATOM 124 CD1 TYR A 11 5.735 1.853 2.188 1.00 0.00 C ATOM 125 CD2 TYR A 11 6.037 -0.512 2.173 1.00 0.00 C ATOM 126 CE1 TYR A 11 6.465 1.943 3.357 1.00 0.00 C ATOM 127 CE2 TYR A 11 6.767 -0.431 3.343 1.00 0.00 C ATOM 128 CZ TYR A 11 6.979 0.799 3.931 1.00 0.00 C ATOM 129 OH TYR A 11 7.707 0.884 5.096 1.00 0.00 O ATOM 0 H TYR A 11 3.745 2.765 -0.751 1.00 0.00 H new ATOM 0 HA TYR A 11 6.375 1.414 -0.736 1.00 0.00 H new ATOM 0 HB2 TYR A 11 3.689 0.867 0.489 1.00 0.00 H new ATOM 0 HB3 TYR A 11 4.648 -0.512 -0.010 1.00 0.00 H new ATOM 0 HD1 TYR A 11 5.334 2.751 1.742 1.00 0.00 H new ATOM 0 HD2 TYR A 11 5.875 -1.476 1.715 1.00 0.00 H new ATOM 0 HE1 TYR A 11 6.633 2.905 3.819 1.00 0.00 H new ATOM 0 HE2 TYR A 11 7.170 -1.326 3.795 1.00 0.00 H new ATOM 0 HH TYR A 11 7.099 0.857 5.864 1.00 0.00 H new ATOM 139 N VAL A 12 5.694 -0.415 -2.461 1.00 0.00 N ATOM 140 CA VAL A 12 5.499 -1.158 -3.700 1.00 0.00 C ATOM 141 C VAL A 12 5.061 -2.591 -3.418 1.00 0.00 C ATOM 142 O VAL A 12 5.522 -3.217 -2.463 1.00 0.00 O ATOM 143 CB VAL A 12 6.786 -1.183 -4.547 1.00 0.00 C ATOM 144 CG1 VAL A 12 6.600 -2.065 -5.772 1.00 0.00 C ATOM 145 CG2 VAL A 12 7.184 0.228 -4.951 1.00 0.00 C ATOM 0 H VAL A 12 6.406 -0.805 -1.843 1.00 0.00 H new ATOM 0 HA VAL A 12 4.715 -0.645 -4.258 1.00 0.00 H new ATOM 0 HB VAL A 12 7.591 -1.604 -3.944 1.00 0.00 H new ATOM 0 HG11 VAL A 12 7.519 -2.071 -6.359 1.00 0.00 H new ATOM 0 HG12 VAL A 12 6.364 -3.081 -5.456 1.00 0.00 H new ATOM 0 HG13 VAL A 12 5.784 -1.676 -6.380 1.00 0.00 H new ATOM 0 HG21 VAL A 12 8.095 0.192 -5.549 1.00 0.00 H new ATOM 0 HG22 VAL A 12 6.383 0.678 -5.537 1.00 0.00 H new ATOM 0 HG23 VAL A 12 7.360 0.826 -4.057 1.00 0.00 H new ATOM 155 N THR A 13 4.167 -3.107 -4.257 1.00 0.00 N ATOM 156 CA THR A 13 3.665 -4.465 -4.098 1.00 0.00 C ATOM 157 C THR A 13 4.517 -5.461 -4.877 1.00 0.00 C ATOM 158 O THR A 13 5.027 -5.148 -5.954 1.00 0.00 O ATOM 159 CB THR A 13 2.203 -4.582 -4.567 1.00 0.00 C ATOM 160 OG1 THR A 13 2.132 -4.453 -5.991 1.00 0.00 O ATOM 161 CG2 THR A 13 1.337 -3.516 -3.912 1.00 0.00 C ATOM 0 H THR A 13 3.776 -2.604 -5.054 1.00 0.00 H new ATOM 0 HA THR A 13 3.718 -4.699 -3.035 1.00 0.00 H new ATOM 0 HB THR A 13 1.829 -5.563 -4.273 1.00 0.00 H new ATOM 0 HG1 THR A 13 1.329 -4.907 -6.321 1.00 0.00 H new ATOM 0 HG21 THR A 13 0.309 -3.619 -4.259 1.00 0.00 H new ATOM 0 HG22 THR A 13 1.369 -3.636 -2.829 1.00 0.00 H new ATOM 0 HG23 THR A 13 1.713 -2.528 -4.178 1.00 0.00 H new ATOM 169 N VAL A 14 4.668 -6.661 -4.328 1.00 0.00 N ATOM 170 CA VAL A 14 5.458 -7.703 -4.972 1.00 0.00 C ATOM 171 C VAL A 14 4.589 -8.900 -5.345 1.00 0.00 C ATOM 172 O VAL A 14 5.058 -9.845 -5.977 1.00 0.00 O ATOM 173 CB VAL A 14 6.607 -8.181 -4.064 1.00 0.00 C ATOM 174 CG1 VAL A 14 7.731 -7.156 -4.043 1.00 0.00 C ATOM 175 CG2 VAL A 14 6.095 -8.452 -2.658 1.00 0.00 C ATOM 0 H VAL A 14 4.253 -6.936 -3.438 1.00 0.00 H new ATOM 0 HA VAL A 14 5.879 -7.266 -5.877 1.00 0.00 H new ATOM 0 HB VAL A 14 7.004 -9.112 -4.467 1.00 0.00 H new ATOM 0 HG11 VAL A 14 8.534 -7.510 -3.397 1.00 0.00 H new ATOM 0 HG12 VAL A 14 8.114 -7.015 -5.054 1.00 0.00 H new ATOM 0 HG13 VAL A 14 7.351 -6.207 -3.663 1.00 0.00 H new ATOM 0 HG21 VAL A 14 6.919 -8.789 -2.029 1.00 0.00 H new ATOM 0 HG22 VAL A 14 5.672 -7.538 -2.242 1.00 0.00 H new ATOM 0 HG23 VAL A 14 5.326 -9.224 -2.693 1.00 0.00 H new ATOM 185 N GLN A 15 3.322 -8.851 -4.947 1.00 0.00 N ATOM 186 CA GLN A 15 2.387 -9.931 -5.240 1.00 0.00 C ATOM 187 C GLN A 15 0.950 -9.422 -5.244 1.00 0.00 C ATOM 188 O GLN A 15 0.572 -8.547 -4.464 1.00 0.00 O ATOM 189 CB GLN A 15 2.539 -11.056 -4.214 1.00 0.00 C ATOM 190 CG GLN A 15 3.972 -11.529 -4.037 1.00 0.00 C ATOM 191 CD GLN A 15 4.073 -12.781 -3.189 1.00 0.00 C ATOM 192 OE1 GLN A 15 3.301 -12.972 -2.248 1.00 0.00 O ATOM 193 NE2 GLN A 15 5.027 -13.645 -3.517 1.00 0.00 N ATOM 0 H GLN A 15 2.919 -8.075 -4.421 1.00 0.00 H new ATOM 0 HA GLN A 15 2.618 -10.319 -6.232 1.00 0.00 H new ATOM 0 HB2 GLN A 15 2.157 -10.713 -3.252 1.00 0.00 H new ATOM 0 HB3 GLN A 15 1.922 -11.901 -4.519 1.00 0.00 H new ATOM 0 HG2 GLN A 15 4.410 -11.722 -5.016 1.00 0.00 H new ATOM 0 HG3 GLN A 15 4.559 -10.734 -3.576 1.00 0.00 H new ATOM 0 HE21 GLN A 15 5.645 -13.448 -4.304 1.00 0.00 H new ATOM 0 HE22 GLN A 15 5.141 -14.506 -2.982 1.00 0.00 H new ATOM 202 N PRO A 16 0.127 -9.979 -6.145 1.00 0.00 N ATOM 203 CA PRO A 16 -1.282 -9.596 -6.274 1.00 0.00 C ATOM 204 C PRO A 16 -2.117 -10.053 -5.082 1.00 0.00 C ATOM 205 O PRO A 16 -2.005 -11.194 -4.632 1.00 0.00 O ATOM 206 CB PRO A 16 -1.730 -10.317 -7.548 1.00 0.00 C ATOM 207 CG PRO A 16 -0.810 -11.482 -7.669 1.00 0.00 C ATOM 208 CD PRO A 16 0.508 -11.027 -7.106 1.00 0.00 C ATOM 0 HA PRO A 16 -1.409 -8.514 -6.313 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -2.769 -10.639 -7.476 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -1.658 -9.664 -8.418 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -1.194 -12.341 -7.119 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -0.705 -11.790 -8.709 1.00 0.00 H new ATOM 0 HD2 PRO A 16 1.040 -11.844 -6.619 1.00 0.00 H new ATOM 0 HD3 PRO A 16 1.164 -10.638 -7.885 1.00 0.00 H new ATOM 216 N TYR A 17 -2.956 -9.155 -4.575 1.00 0.00 N ATOM 217 CA TYR A 17 -3.809 -9.465 -3.434 1.00 0.00 C ATOM 218 C TYR A 17 -5.283 -9.372 -3.815 1.00 0.00 C ATOM 219 O TYR A 17 -5.727 -8.378 -4.391 1.00 0.00 O ATOM 220 CB TYR A 17 -3.509 -8.514 -2.274 1.00 0.00 C ATOM 221 CG TYR A 17 -4.273 -8.842 -1.010 1.00 0.00 C ATOM 222 CD1 TYR A 17 -3.983 -9.986 -0.276 1.00 0.00 C ATOM 223 CD2 TYR A 17 -5.285 -8.007 -0.550 1.00 0.00 C ATOM 224 CE1 TYR A 17 -4.679 -10.288 0.878 1.00 0.00 C ATOM 225 CE2 TYR A 17 -5.984 -8.302 0.604 1.00 0.00 C ATOM 226 CZ TYR A 17 -5.679 -9.444 1.314 1.00 0.00 C ATOM 227 OH TYR A 17 -6.373 -9.741 2.463 1.00 0.00 O ATOM 0 H TYR A 17 -3.063 -8.207 -4.936 1.00 0.00 H new ATOM 0 HA TYR A 17 -3.598 -10.487 -3.121 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -2.441 -8.541 -2.060 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -3.748 -7.495 -2.579 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -3.201 -10.650 -0.614 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -5.529 -7.113 -1.104 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -4.441 -11.181 1.437 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -6.766 -7.641 0.949 1.00 0.00 H new ATOM 0 HH TYR A 17 -7.042 -9.045 2.630 1.00 0.00 H new ATOM 237 N THR A 18 -6.039 -10.416 -3.488 1.00 0.00 N ATOM 238 CA THR A 18 -7.463 -10.454 -3.795 1.00 0.00 C ATOM 239 C THR A 18 -8.300 -10.101 -2.571 1.00 0.00 C ATOM 240 O THR A 18 -8.472 -10.920 -1.668 1.00 0.00 O ATOM 241 CB THR A 18 -7.889 -11.842 -4.311 1.00 0.00 C ATOM 242 OG1 THR A 18 -7.123 -12.189 -5.469 1.00 0.00 O ATOM 243 CG2 THR A 18 -9.372 -11.859 -4.653 1.00 0.00 C ATOM 0 H THR A 18 -5.688 -11.246 -3.011 1.00 0.00 H new ATOM 0 HA THR A 18 -7.637 -9.714 -4.576 1.00 0.00 H new ATOM 0 HB THR A 18 -7.706 -12.572 -3.523 1.00 0.00 H new ATOM 0 HG1 THR A 18 -7.398 -13.073 -5.790 1.00 0.00 H new ATOM 0 HG21 THR A 18 -9.651 -12.849 -5.015 1.00 0.00 H new ATOM 0 HG22 THR A 18 -9.954 -11.622 -3.762 1.00 0.00 H new ATOM 0 HG23 THR A 18 -9.575 -11.119 -5.427 1.00 0.00 H new ATOM 251 N SER A 19 -8.817 -8.877 -2.546 1.00 0.00 N ATOM 252 CA SER A 19 -9.633 -8.414 -1.430 1.00 0.00 C ATOM 253 C SER A 19 -10.881 -9.279 -1.275 1.00 0.00 C ATOM 254 O SER A 19 -11.498 -9.678 -2.262 1.00 0.00 O ATOM 255 CB SER A 19 -10.034 -6.952 -1.636 1.00 0.00 C ATOM 256 OG SER A 19 -10.676 -6.770 -2.885 1.00 0.00 O ATOM 0 H SER A 19 -8.685 -8.188 -3.286 1.00 0.00 H new ATOM 0 HA SER A 19 -9.040 -8.495 -0.519 1.00 0.00 H new ATOM 0 HB2 SER A 19 -10.700 -6.638 -0.832 1.00 0.00 H new ATOM 0 HB3 SER A 19 -9.149 -6.318 -1.583 1.00 0.00 H new ATOM 0 HG SER A 19 -10.924 -5.828 -2.991 1.00 0.00 H new ATOM 262 N GLN A 20 -11.246 -9.562 -0.028 1.00 0.00 N ATOM 263 CA GLN A 20 -12.419 -10.379 0.256 1.00 0.00 C ATOM 264 C GLN A 20 -13.600 -9.509 0.675 1.00 0.00 C ATOM 265 O GLN A 20 -14.754 -9.842 0.408 1.00 0.00 O ATOM 266 CB GLN A 20 -12.105 -11.395 1.356 1.00 0.00 C ATOM 267 CG GLN A 20 -10.983 -12.356 0.993 1.00 0.00 C ATOM 268 CD GLN A 20 -11.370 -13.313 -0.117 1.00 0.00 C ATOM 269 OE1 GLN A 20 -11.764 -14.451 0.138 1.00 0.00 O ATOM 270 NE2 GLN A 20 -11.261 -12.854 -1.359 1.00 0.00 N ATOM 0 H GLN A 20 -10.747 -9.238 0.800 1.00 0.00 H new ATOM 0 HA GLN A 20 -12.688 -10.912 -0.656 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -11.834 -10.861 2.267 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -13.005 -11.968 1.578 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -10.106 -11.786 0.686 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -10.699 -12.927 1.877 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -10.930 -11.904 -1.524 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -11.509 -13.452 -2.147 1.00 0.00 H new ATOM 279 N SER A 21 -13.303 -8.394 1.332 1.00 0.00 N ATOM 280 CA SER A 21 -14.340 -7.477 1.792 1.00 0.00 C ATOM 281 C SER A 21 -13.915 -6.027 1.582 1.00 0.00 C ATOM 282 O SER A 21 -12.730 -5.727 1.445 1.00 0.00 O ATOM 283 CB SER A 21 -14.648 -7.722 3.271 1.00 0.00 C ATOM 284 OG SER A 21 -15.764 -6.957 3.692 1.00 0.00 O ATOM 0 H SER A 21 -12.352 -8.103 1.558 1.00 0.00 H new ATOM 0 HA SER A 21 -15.240 -7.662 1.206 1.00 0.00 H new ATOM 0 HB2 SER A 21 -14.847 -8.781 3.434 1.00 0.00 H new ATOM 0 HB3 SER A 21 -13.778 -7.464 3.875 1.00 0.00 H new ATOM 0 HG SER A 21 -15.942 -7.132 4.640 1.00 0.00 H new ATOM 290 N LYS A 22 -14.894 -5.129 1.559 1.00 0.00 N ATOM 291 CA LYS A 22 -14.625 -3.708 1.368 1.00 0.00 C ATOM 292 C LYS A 22 -13.513 -3.235 2.298 1.00 0.00 C ATOM 293 O LYS A 22 -12.653 -2.447 1.903 1.00 0.00 O ATOM 294 CB LYS A 22 -15.894 -2.890 1.616 1.00 0.00 C ATOM 295 CG LYS A 22 -17.059 -3.289 0.727 1.00 0.00 C ATOM 296 CD LYS A 22 -18.220 -2.317 0.859 1.00 0.00 C ATOM 297 CE LYS A 22 -19.009 -2.563 2.135 1.00 0.00 C ATOM 298 NZ LYS A 22 -20.435 -2.157 1.993 1.00 0.00 N ATOM 0 H LYS A 22 -15.881 -5.360 1.670 1.00 0.00 H new ATOM 0 HA LYS A 22 -14.300 -3.561 0.338 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -16.190 -3.001 2.659 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -15.672 -1.835 1.458 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -16.730 -3.325 -0.311 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -17.392 -4.293 0.991 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -17.842 -1.295 0.855 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -18.880 -2.417 -0.003 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -18.957 -3.620 2.396 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -18.554 -2.009 2.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -20.939 -2.341 2.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -20.487 -1.143 1.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -20.877 -2.704 1.227 1.00 0.00 H new ATOM 312 N ASP A 23 -13.534 -3.721 3.534 1.00 0.00 N ATOM 313 CA ASP A 23 -12.526 -3.350 4.519 1.00 0.00 C ATOM 314 C ASP A 23 -11.121 -3.499 3.942 1.00 0.00 C ATOM 315 O ASP A 23 -10.263 -2.641 4.147 1.00 0.00 O ATOM 316 CB ASP A 23 -12.668 -4.210 5.776 1.00 0.00 C ATOM 317 CG ASP A 23 -12.214 -3.487 7.028 1.00 0.00 C ATOM 318 OD1 ASP A 23 -12.173 -2.239 7.010 1.00 0.00 O ATOM 319 OD2 ASP A 23 -11.902 -4.168 8.027 1.00 0.00 O ATOM 0 H ASP A 23 -14.239 -4.373 3.878 1.00 0.00 H new ATOM 0 HA ASP A 23 -12.682 -2.304 4.785 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -13.709 -4.510 5.891 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -12.085 -5.123 5.656 1.00 0.00 H new ATOM 324 N GLU A 24 -10.896 -4.594 3.222 1.00 0.00 N ATOM 325 CA GLU A 24 -9.595 -4.856 2.618 1.00 0.00 C ATOM 326 C GLU A 24 -9.595 -4.474 1.141 1.00 0.00 C ATOM 327 O GLU A 24 -10.617 -4.577 0.462 1.00 0.00 O ATOM 328 CB GLU A 24 -9.221 -6.330 2.775 1.00 0.00 C ATOM 329 CG GLU A 24 -9.161 -6.792 4.221 1.00 0.00 C ATOM 330 CD GLU A 24 -10.512 -7.237 4.749 1.00 0.00 C ATOM 331 OE1 GLU A 24 -11.298 -7.805 3.962 1.00 0.00 O ATOM 332 OE2 GLU A 24 -10.782 -7.017 5.948 1.00 0.00 O ATOM 0 H GLU A 24 -11.597 -5.313 3.043 1.00 0.00 H new ATOM 0 HA GLU A 24 -8.854 -4.245 3.134 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -9.947 -6.940 2.237 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -8.252 -6.502 2.307 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -8.453 -7.616 4.306 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -8.782 -5.981 4.842 1.00 0.00 H new ATOM 339 N ILE A 25 -8.442 -4.033 0.649 1.00 0.00 N ATOM 340 CA ILE A 25 -8.309 -3.637 -0.747 1.00 0.00 C ATOM 341 C ILE A 25 -7.386 -4.589 -1.503 1.00 0.00 C ATOM 342 O ILE A 25 -6.361 -5.023 -0.980 1.00 0.00 O ATOM 343 CB ILE A 25 -7.764 -2.202 -0.876 1.00 0.00 C ATOM 344 CG1 ILE A 25 -8.138 -1.612 -2.237 1.00 0.00 C ATOM 345 CG2 ILE A 25 -6.255 -2.189 -0.684 1.00 0.00 C ATOM 346 CD1 ILE A 25 -7.850 -0.132 -2.353 1.00 0.00 C ATOM 0 H ILE A 25 -7.587 -3.941 1.197 1.00 0.00 H new ATOM 0 HA ILE A 25 -9.307 -3.679 -1.183 1.00 0.00 H new ATOM 0 HB ILE A 25 -8.215 -1.587 -0.098 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -7.591 -2.143 -3.017 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -9.199 -1.783 -2.419 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -5.885 -1.168 -0.778 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -6.011 -2.574 0.306 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -5.786 -2.816 -1.442 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -8.140 0.219 -3.344 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -8.417 0.410 -1.596 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -6.785 0.044 -2.203 1.00 0.00 H new ATOM 358 N GLY A 26 -7.758 -4.907 -2.739 1.00 0.00 N ATOM 359 CA GLY A 26 -6.952 -5.803 -3.548 1.00 0.00 C ATOM 360 C GLY A 26 -6.182 -5.073 -4.630 1.00 0.00 C ATOM 361 O GLY A 26 -6.752 -4.289 -5.388 1.00 0.00 O ATOM 0 H GLY A 26 -8.602 -4.561 -3.194 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -6.252 -6.337 -2.905 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -7.597 -6.552 -4.008 1.00 0.00 H new ATOM 365 N PHE A 27 -4.880 -5.330 -4.702 1.00 0.00 N ATOM 366 CA PHE A 27 -4.027 -4.688 -5.698 1.00 0.00 C ATOM 367 C PHE A 27 -3.244 -5.728 -6.494 1.00 0.00 C ATOM 368 O PHE A 27 -3.223 -6.907 -6.142 1.00 0.00 O ATOM 369 CB PHE A 27 -3.063 -3.712 -5.022 1.00 0.00 C ATOM 370 CG PHE A 27 -2.401 -4.277 -3.797 1.00 0.00 C ATOM 371 CD1 PHE A 27 -1.532 -5.351 -3.895 1.00 0.00 C ATOM 372 CD2 PHE A 27 -2.648 -3.731 -2.547 1.00 0.00 C ATOM 373 CE1 PHE A 27 -0.921 -5.872 -2.771 1.00 0.00 C ATOM 374 CE2 PHE A 27 -2.039 -4.246 -1.419 1.00 0.00 C ATOM 375 CZ PHE A 27 -1.175 -5.320 -1.531 1.00 0.00 C ATOM 0 H PHE A 27 -4.392 -5.978 -4.083 1.00 0.00 H new ATOM 0 HA PHE A 27 -4.666 -4.136 -6.387 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -2.295 -3.418 -5.737 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -3.607 -2.808 -4.748 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -1.330 -5.787 -4.862 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -3.324 -2.894 -2.454 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -0.246 -6.710 -2.862 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -2.237 -3.810 -0.451 1.00 0.00 H new ATOM 0 HZ PHE A 27 -0.700 -5.726 -0.650 1.00 0.00 H new ATOM 385 N GLU A 28 -2.602 -5.281 -7.569 1.00 0.00 N ATOM 386 CA GLU A 28 -1.818 -6.173 -8.415 1.00 0.00 C ATOM 387 C GLU A 28 -0.343 -6.134 -8.027 1.00 0.00 C ATOM 388 O GLU A 28 0.053 -5.403 -7.118 1.00 0.00 O ATOM 389 CB GLU A 28 -1.980 -5.787 -9.887 1.00 0.00 C ATOM 390 CG GLU A 28 -3.379 -6.029 -10.429 1.00 0.00 C ATOM 391 CD GLU A 28 -3.548 -7.419 -11.011 1.00 0.00 C ATOM 392 OE1 GLU A 28 -2.528 -8.030 -11.394 1.00 0.00 O ATOM 393 OE2 GLU A 28 -4.700 -7.896 -11.081 1.00 0.00 O ATOM 0 H GLU A 28 -2.609 -4.308 -7.874 1.00 0.00 H new ATOM 0 HA GLU A 28 -2.187 -7.188 -8.270 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -1.730 -4.733 -10.007 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -1.265 -6.354 -10.483 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.105 -5.884 -9.629 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -3.600 -5.288 -11.198 1.00 0.00 H new ATOM 400 N LYS A 29 0.466 -6.927 -8.721 1.00 0.00 N ATOM 401 CA LYS A 29 1.898 -6.984 -8.452 1.00 0.00 C ATOM 402 C LYS A 29 2.672 -6.107 -9.432 1.00 0.00 C ATOM 403 O LYS A 29 2.602 -6.304 -10.644 1.00 0.00 O ATOM 404 CB LYS A 29 2.397 -8.428 -8.540 1.00 0.00 C ATOM 405 CG LYS A 29 3.884 -8.542 -8.827 1.00 0.00 C ATOM 406 CD LYS A 29 4.290 -9.980 -9.105 1.00 0.00 C ATOM 407 CE LYS A 29 5.797 -10.112 -9.266 1.00 0.00 C ATOM 408 NZ LYS A 29 6.472 -10.386 -7.969 1.00 0.00 N ATOM 0 H LYS A 29 0.154 -7.540 -9.475 1.00 0.00 H new ATOM 0 HA LYS A 29 2.068 -6.608 -7.443 1.00 0.00 H new ATOM 0 HB2 LYS A 29 2.177 -8.937 -7.602 1.00 0.00 H new ATOM 0 HB3 LYS A 29 1.844 -8.948 -9.322 1.00 0.00 H new ATOM 0 HG2 LYS A 29 4.139 -7.919 -9.684 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.450 -8.161 -7.977 1.00 0.00 H new ATOM 0 HD2 LYS A 29 3.953 -10.619 -8.289 1.00 0.00 H new ATOM 0 HD3 LYS A 29 3.794 -10.331 -10.010 1.00 0.00 H new ATOM 0 HE2 LYS A 29 6.018 -10.917 -9.967 1.00 0.00 H new ATOM 0 HE3 LYS A 29 6.198 -9.195 -9.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 7.314 -9.782 -7.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 5.817 -10.182 -7.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 6.757 -11.385 -7.930 1.00 0.00 H new ATOM 422 N GLY A 30 3.410 -5.140 -8.898 1.00 0.00 N ATOM 423 CA GLY A 30 4.188 -4.249 -9.739 1.00 0.00 C ATOM 424 C GLY A 30 3.573 -2.867 -9.845 1.00 0.00 C ATOM 425 O GLY A 30 3.775 -2.164 -10.835 1.00 0.00 O ATOM 0 H GLY A 30 3.483 -4.957 -7.897 1.00 0.00 H new ATOM 0 HA2 GLY A 30 5.198 -4.164 -9.337 1.00 0.00 H new ATOM 0 HA3 GLY A 30 4.277 -4.681 -10.736 1.00 0.00 H new ATOM 429 N VAL A 31 2.817 -2.478 -8.823 1.00 0.00 N ATOM 430 CA VAL A 31 2.169 -1.172 -8.804 1.00 0.00 C ATOM 431 C VAL A 31 2.608 -0.357 -7.592 1.00 0.00 C ATOM 432 O VAL A 31 3.352 -0.844 -6.739 1.00 0.00 O ATOM 433 CB VAL A 31 0.635 -1.306 -8.791 1.00 0.00 C ATOM 434 CG1 VAL A 31 0.131 -1.813 -10.133 1.00 0.00 C ATOM 435 CG2 VAL A 31 0.192 -2.226 -7.664 1.00 0.00 C ATOM 0 H VAL A 31 2.638 -3.049 -7.997 1.00 0.00 H new ATOM 0 HA VAL A 31 2.473 -0.655 -9.714 1.00 0.00 H new ATOM 0 HB VAL A 31 0.203 -0.321 -8.617 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -0.955 -1.901 -10.104 1.00 0.00 H new ATOM 0 HG12 VAL A 31 0.417 -1.113 -10.917 1.00 0.00 H new ATOM 0 HG13 VAL A 31 0.569 -2.789 -10.341 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -0.895 -2.310 -7.669 1.00 0.00 H new ATOM 0 HG22 VAL A 31 0.633 -3.213 -7.805 1.00 0.00 H new ATOM 0 HG23 VAL A 31 0.520 -1.816 -6.709 1.00 0.00 H new ATOM 445 N THR A 32 2.143 0.886 -7.522 1.00 0.00 N ATOM 446 CA THR A 32 2.488 1.769 -6.415 1.00 0.00 C ATOM 447 C THR A 32 1.298 1.971 -5.482 1.00 0.00 C ATOM 448 O THR A 32 0.162 2.118 -5.931 1.00 0.00 O ATOM 449 CB THR A 32 2.967 3.143 -6.920 1.00 0.00 C ATOM 450 OG1 THR A 32 4.131 2.984 -7.741 1.00 0.00 O ATOM 451 CG2 THR A 32 3.286 4.067 -5.754 1.00 0.00 C ATOM 0 H THR A 32 1.526 1.304 -8.219 1.00 0.00 H new ATOM 0 HA THR A 32 3.299 1.288 -5.868 1.00 0.00 H new ATOM 0 HB THR A 32 2.165 3.589 -7.508 1.00 0.00 H new ATOM 0 HG1 THR A 32 4.429 3.862 -8.060 1.00 0.00 H new ATOM 0 HG21 THR A 32 3.622 5.031 -6.135 1.00 0.00 H new ATOM 0 HG22 THR A 32 2.392 4.209 -5.147 1.00 0.00 H new ATOM 0 HG23 THR A 32 4.073 3.624 -5.143 1.00 0.00 H new ATOM 459 N VAL A 33 1.569 1.977 -4.181 1.00 0.00 N ATOM 460 CA VAL A 33 0.521 2.162 -3.184 1.00 0.00 C ATOM 461 C VAL A 33 0.921 3.212 -2.153 1.00 0.00 C ATOM 462 O VAL A 33 2.106 3.415 -1.889 1.00 0.00 O ATOM 463 CB VAL A 33 0.197 0.843 -2.456 1.00 0.00 C ATOM 464 CG1 VAL A 33 -0.483 -0.135 -3.401 1.00 0.00 C ATOM 465 CG2 VAL A 33 1.462 0.237 -1.868 1.00 0.00 C ATOM 0 H VAL A 33 2.504 1.856 -3.793 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.366 2.501 -3.719 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.491 1.058 -1.638 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.704 -1.061 -2.869 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.411 0.302 -3.771 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.178 -0.348 -4.241 1.00 0.00 H new ATOM 0 HG21 VAL A 33 1.216 -0.694 -1.357 1.00 0.00 H new ATOM 0 HG22 VAL A 33 2.174 0.035 -2.668 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.903 0.935 -1.157 1.00 0.00 H new ATOM 475 N GLU A 34 -0.075 3.878 -1.576 1.00 0.00 N ATOM 476 CA GLU A 34 0.175 4.907 -0.575 1.00 0.00 C ATOM 477 C GLU A 34 -0.217 4.420 0.817 1.00 0.00 C ATOM 478 O GLU A 34 -1.386 4.139 1.082 1.00 0.00 O ATOM 479 CB GLU A 34 -0.600 6.182 -0.919 1.00 0.00 C ATOM 480 CG GLU A 34 0.073 7.035 -1.980 1.00 0.00 C ATOM 481 CD GLU A 34 -0.909 7.920 -2.724 1.00 0.00 C ATOM 482 OE1 GLU A 34 -1.610 7.405 -3.619 1.00 0.00 O ATOM 483 OE2 GLU A 34 -0.974 9.128 -2.412 1.00 0.00 O ATOM 0 H GLU A 34 -1.061 3.723 -1.785 1.00 0.00 H new ATOM 0 HA GLU A 34 1.243 5.127 -0.576 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -1.598 5.909 -1.263 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -0.726 6.776 -0.014 1.00 0.00 H new ATOM 0 HG2 GLU A 34 0.835 7.658 -1.511 1.00 0.00 H new ATOM 0 HG3 GLU A 34 0.584 6.387 -2.692 1.00 0.00 H new ATOM 490 N VAL A 35 0.770 4.321 1.703 1.00 0.00 N ATOM 491 CA VAL A 35 0.529 3.868 3.067 1.00 0.00 C ATOM 492 C VAL A 35 0.134 5.031 3.971 1.00 0.00 C ATOM 493 O VAL A 35 0.912 5.963 4.176 1.00 0.00 O ATOM 494 CB VAL A 35 1.772 3.175 3.655 1.00 0.00 C ATOM 495 CG1 VAL A 35 1.539 2.807 5.113 1.00 0.00 C ATOM 496 CG2 VAL A 35 2.133 1.945 2.837 1.00 0.00 C ATOM 0 H VAL A 35 1.743 4.549 1.500 1.00 0.00 H new ATOM 0 HA VAL A 35 -0.291 3.151 3.023 1.00 0.00 H new ATOM 0 HB VAL A 35 2.610 3.871 3.611 1.00 0.00 H new ATOM 0 HG11 VAL A 35 2.428 2.318 5.511 1.00 0.00 H new ATOM 0 HG12 VAL A 35 1.333 3.710 5.688 1.00 0.00 H new ATOM 0 HG13 VAL A 35 0.689 2.129 5.186 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.014 1.468 3.267 1.00 0.00 H new ATOM 0 HG22 VAL A 35 1.299 1.244 2.847 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.346 2.241 1.810 1.00 0.00 H new ATOM 506 N ILE A 36 -1.080 4.969 4.509 1.00 0.00 N ATOM 507 CA ILE A 36 -1.577 6.017 5.392 1.00 0.00 C ATOM 508 C ILE A 36 -1.291 5.687 6.852 1.00 0.00 C ATOM 509 O ILE A 36 -0.683 6.481 7.571 1.00 0.00 O ATOM 510 CB ILE A 36 -3.092 6.230 5.213 1.00 0.00 C ATOM 511 CG1 ILE A 36 -3.416 6.551 3.753 1.00 0.00 C ATOM 512 CG2 ILE A 36 -3.581 7.346 6.127 1.00 0.00 C ATOM 513 CD1 ILE A 36 -4.849 6.255 3.372 1.00 0.00 C ATOM 0 H ILE A 36 -1.737 4.205 4.349 1.00 0.00 H new ATOM 0 HA ILE A 36 -1.054 6.934 5.120 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.608 5.309 5.486 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -3.210 7.605 3.567 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -2.751 5.977 3.107 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.653 7.485 5.990 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -3.380 7.081 7.165 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -3.061 8.272 5.881 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -5.006 6.507 2.323 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -5.055 5.196 3.526 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -5.520 6.849 3.992 1.00 0.00 H new ATOM 525 N ARG A 37 -1.730 4.509 7.285 1.00 0.00 N ATOM 526 CA ARG A 37 -1.520 4.073 8.660 1.00 0.00 C ATOM 527 C ARG A 37 -0.663 2.812 8.706 1.00 0.00 C ATOM 528 O ARG A 37 -0.546 2.091 7.714 1.00 0.00 O ATOM 529 CB ARG A 37 -2.862 3.815 9.346 1.00 0.00 C ATOM 530 CG ARG A 37 -3.704 5.068 9.529 1.00 0.00 C ATOM 531 CD ARG A 37 -4.653 4.935 10.710 1.00 0.00 C ATOM 532 NE ARG A 37 -3.962 5.105 11.986 1.00 0.00 N ATOM 533 CZ ARG A 37 -4.590 5.196 13.153 1.00 0.00 C ATOM 534 NH1 ARG A 37 -5.913 5.135 13.205 1.00 0.00 N ATOM 535 NH2 ARG A 37 -3.892 5.349 14.272 1.00 0.00 N ATOM 0 H ARG A 37 -2.233 3.840 6.703 1.00 0.00 H new ATOM 0 HA ARG A 37 -0.995 4.868 9.190 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -3.427 3.090 8.759 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -2.681 3.364 10.321 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -3.051 5.927 9.681 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -4.276 5.259 8.621 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -5.445 5.678 10.624 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -5.131 3.956 10.683 1.00 0.00 H new ATOM 0 HE ARG A 37 -2.943 5.157 11.980 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -6.452 5.018 12.347 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -6.392 5.205 14.103 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -2.874 5.397 14.235 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -4.374 5.419 15.168 1.00 0.00 H new ATOM 549 N LYS A 38 -0.064 2.551 9.862 1.00 0.00 N ATOM 550 CA LYS A 38 0.782 1.377 10.039 1.00 0.00 C ATOM 551 C LYS A 38 0.574 0.758 11.418 1.00 0.00 C ATOM 552 O LYS A 38 0.641 1.449 12.434 1.00 0.00 O ATOM 553 CB LYS A 38 2.255 1.751 9.853 1.00 0.00 C ATOM 554 CG LYS A 38 2.617 2.103 8.421 1.00 0.00 C ATOM 555 CD LYS A 38 4.039 2.630 8.318 1.00 0.00 C ATOM 556 CE LYS A 38 4.104 4.120 8.619 1.00 0.00 C ATOM 557 NZ LYS A 38 5.508 4.617 8.652 1.00 0.00 N ATOM 0 H LYS A 38 -0.149 3.138 10.692 1.00 0.00 H new ATOM 0 HA LYS A 38 0.502 0.642 9.285 1.00 0.00 H new ATOM 0 HB2 LYS A 38 2.490 2.598 10.497 1.00 0.00 H new ATOM 0 HB3 LYS A 38 2.877 0.918 10.182 1.00 0.00 H new ATOM 0 HG2 LYS A 38 2.508 1.221 7.790 1.00 0.00 H new ATOM 0 HG3 LYS A 38 1.922 2.853 8.043 1.00 0.00 H new ATOM 0 HD2 LYS A 38 4.680 2.089 9.014 1.00 0.00 H new ATOM 0 HD3 LYS A 38 4.426 2.443 7.316 1.00 0.00 H new ATOM 0 HE2 LYS A 38 3.542 4.668 7.863 1.00 0.00 H new ATOM 0 HE3 LYS A 38 3.626 4.318 9.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 5.511 5.636 8.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 6.038 4.112 9.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 5.957 4.451 7.729 1.00 0.00 H new ATOM 571 N ASN A 39 0.324 -0.546 11.445 1.00 0.00 N ATOM 572 CA ASN A 39 0.108 -1.258 12.699 1.00 0.00 C ATOM 573 C ASN A 39 1.221 -2.270 12.949 1.00 0.00 C ATOM 574 O ASN A 39 2.141 -2.410 12.143 1.00 0.00 O ATOM 575 CB ASN A 39 -1.247 -1.968 12.680 1.00 0.00 C ATOM 576 CG ASN A 39 -2.405 -0.999 12.533 1.00 0.00 C ATOM 577 OD1 ASN A 39 -2.264 0.070 11.940 1.00 0.00 O ATOM 578 ND2 ASN A 39 -3.560 -1.371 13.074 1.00 0.00 N ATOM 0 H ASN A 39 0.266 -1.132 10.612 1.00 0.00 H new ATOM 0 HA ASN A 39 0.117 -0.528 13.508 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -1.268 -2.683 11.857 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -1.368 -2.538 13.601 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -4.375 -0.761 13.006 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -3.632 -2.267 13.557 1.00 0.00 H new ATOM 585 N LEU A 40 1.132 -2.974 14.073 1.00 0.00 N ATOM 586 CA LEU A 40 2.130 -3.974 14.430 1.00 0.00 C ATOM 587 C LEU A 40 1.643 -5.378 14.086 1.00 0.00 C ATOM 588 O LEU A 40 2.321 -6.125 13.381 1.00 0.00 O ATOM 589 CB LEU A 40 2.457 -3.887 15.923 1.00 0.00 C ATOM 590 CG LEU A 40 2.949 -2.530 16.424 1.00 0.00 C ATOM 591 CD1 LEU A 40 2.589 -2.339 17.890 1.00 0.00 C ATOM 592 CD2 LEU A 40 4.452 -2.399 16.221 1.00 0.00 C ATOM 0 H LEU A 40 0.378 -2.870 14.752 1.00 0.00 H new ATOM 0 HA LEU A 40 3.033 -3.771 13.854 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.564 -4.158 16.486 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.217 -4.634 16.152 1.00 0.00 H new ATOM 0 HG LEU A 40 2.455 -1.750 15.845 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.947 -1.367 18.229 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.507 -2.388 18.008 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.055 -3.125 18.484 1.00 0.00 H new ATOM 0 HD21 LEU A 40 4.785 -1.426 16.584 1.00 0.00 H new ATOM 0 HD22 LEU A 40 4.964 -3.187 16.774 1.00 0.00 H new ATOM 0 HD23 LEU A 40 4.685 -2.490 15.160 1.00 0.00 H new ATOM 604 N GLU A 41 0.463 -5.729 14.586 1.00 0.00 N ATOM 605 CA GLU A 41 -0.116 -7.043 14.329 1.00 0.00 C ATOM 606 C GLU A 41 0.232 -7.524 12.924 1.00 0.00 C ATOM 607 O GLU A 41 0.818 -8.592 12.748 1.00 0.00 O ATOM 608 CB GLU A 41 -1.635 -6.999 14.506 1.00 0.00 C ATOM 609 CG GLU A 41 -2.081 -7.045 15.957 1.00 0.00 C ATOM 610 CD GLU A 41 -3.584 -7.186 16.101 1.00 0.00 C ATOM 611 OE1 GLU A 41 -4.316 -6.340 15.547 1.00 0.00 O ATOM 612 OE2 GLU A 41 -4.028 -8.145 16.768 1.00 0.00 O ATOM 0 H GLU A 41 -0.111 -5.122 15.171 1.00 0.00 H new ATOM 0 HA GLU A 41 0.305 -7.745 15.049 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.020 -6.089 14.045 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -2.079 -7.839 13.972 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -1.592 -7.881 16.457 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -1.755 -6.136 16.462 1.00 0.00 H new ATOM 619 N GLY A 42 -0.136 -6.728 11.925 1.00 0.00 N ATOM 620 CA GLY A 42 0.144 -7.090 10.547 1.00 0.00 C ATOM 621 C GLY A 42 -0.835 -6.464 9.574 1.00 0.00 C ATOM 622 O GLY A 42 -1.223 -7.088 8.586 1.00 0.00 O ATOM 0 H GLY A 42 -0.623 -5.840 12.045 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.156 -6.778 10.291 1.00 0.00 H new ATOM 0 HA3 GLY A 42 0.110 -8.175 10.445 1.00 0.00 H new ATOM 626 N TRP A 43 -1.236 -5.229 9.852 1.00 0.00 N ATOM 627 CA TRP A 43 -2.178 -4.519 8.994 1.00 0.00 C ATOM 628 C TRP A 43 -1.684 -3.109 8.694 1.00 0.00 C ATOM 629 O TRP A 43 -1.431 -2.323 9.606 1.00 0.00 O ATOM 630 CB TRP A 43 -3.557 -4.461 9.654 1.00 0.00 C ATOM 631 CG TRP A 43 -4.419 -5.643 9.333 1.00 0.00 C ATOM 632 CD1 TRP A 43 -4.945 -6.539 10.220 1.00 0.00 C ATOM 633 CD2 TRP A 43 -4.855 -6.060 8.034 1.00 0.00 C ATOM 634 NE1 TRP A 43 -5.681 -7.487 9.551 1.00 0.00 N ATOM 635 CE2 TRP A 43 -5.643 -7.215 8.209 1.00 0.00 C ATOM 636 CE3 TRP A 43 -4.659 -5.567 6.741 1.00 0.00 C ATOM 637 CZ2 TRP A 43 -6.230 -7.884 7.139 1.00 0.00 C ATOM 638 CZ3 TRP A 43 -5.243 -6.232 5.680 1.00 0.00 C ATOM 639 CH2 TRP A 43 -6.021 -7.380 5.884 1.00 0.00 C ATOM 0 H TRP A 43 -0.924 -4.698 10.665 1.00 0.00 H new ATOM 0 HA TRP A 43 -2.256 -5.064 8.053 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -3.432 -4.394 10.735 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -4.066 -3.552 9.335 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -4.803 -6.507 11.290 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -6.176 -8.267 9.984 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -4.062 -4.683 6.574 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -6.829 -8.769 7.294 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -5.098 -5.861 4.676 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -6.464 -7.877 5.034 1.00 0.00 H new ATOM 650 N TRP A 44 -1.549 -2.795 7.410 1.00 0.00 N ATOM 651 CA TRP A 44 -1.085 -1.477 6.990 1.00 0.00 C ATOM 652 C TRP A 44 -2.105 -0.806 6.078 1.00 0.00 C ATOM 653 O TRP A 44 -2.294 -1.218 4.933 1.00 0.00 O ATOM 654 CB TRP A 44 0.262 -1.592 6.273 1.00 0.00 C ATOM 655 CG TRP A 44 1.430 -1.652 7.210 1.00 0.00 C ATOM 656 CD1 TRP A 44 1.481 -2.290 8.416 1.00 0.00 C ATOM 657 CD2 TRP A 44 2.714 -1.049 7.018 1.00 0.00 C ATOM 658 NE1 TRP A 44 2.721 -2.119 8.985 1.00 0.00 N ATOM 659 CE2 TRP A 44 3.496 -1.363 8.146 1.00 0.00 C ATOM 660 CE3 TRP A 44 3.281 -0.276 6.000 1.00 0.00 C ATOM 661 CZ2 TRP A 44 4.811 -0.928 8.285 1.00 0.00 C ATOM 662 CZ3 TRP A 44 4.587 0.155 6.139 1.00 0.00 C ATOM 663 CH2 TRP A 44 5.340 -0.173 7.274 1.00 0.00 C ATOM 0 H TRP A 44 -1.754 -3.434 6.642 1.00 0.00 H new ATOM 0 HA TRP A 44 -0.963 -0.861 7.881 1.00 0.00 H new ATOM 0 HB2 TRP A 44 0.259 -2.486 5.650 1.00 0.00 H new ATOM 0 HB3 TRP A 44 0.384 -0.739 5.605 1.00 0.00 H new ATOM 0 HD1 TRP A 44 0.668 -2.847 8.858 1.00 0.00 H new ATOM 0 HE1 TRP A 44 3.016 -2.494 9.886 1.00 0.00 H new ATOM 0 HE3 TRP A 44 2.709 -0.020 5.121 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 5.393 -1.178 9.160 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 5.034 0.754 5.360 1.00 0.00 H new ATOM 0 HH2 TRP A 44 6.359 0.177 7.352 1.00 0.00 H new ATOM 674 N TYR A 45 -2.760 0.230 6.591 1.00 0.00 N ATOM 675 CA TYR A 45 -3.762 0.957 5.821 1.00 0.00 C ATOM 676 C TYR A 45 -3.121 1.699 4.652 1.00 0.00 C ATOM 677 O TYR A 45 -2.322 2.615 4.848 1.00 0.00 O ATOM 678 CB TYR A 45 -4.507 1.945 6.721 1.00 0.00 C ATOM 679 CG TYR A 45 -5.919 2.236 6.263 1.00 0.00 C ATOM 680 CD1 TYR A 45 -6.805 1.204 5.982 1.00 0.00 C ATOM 681 CD2 TYR A 45 -6.365 3.544 6.110 1.00 0.00 C ATOM 682 CE1 TYR A 45 -8.095 1.466 5.562 1.00 0.00 C ATOM 683 CE2 TYR A 45 -7.654 3.813 5.693 1.00 0.00 C ATOM 684 CZ TYR A 45 -8.515 2.771 5.420 1.00 0.00 C ATOM 685 OH TYR A 45 -9.800 3.036 5.004 1.00 0.00 O ATOM 0 H TYR A 45 -2.615 0.585 7.536 1.00 0.00 H new ATOM 0 HA TYR A 45 -4.471 0.233 5.421 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -4.538 1.547 7.735 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -3.947 2.879 6.762 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -6.480 0.180 6.094 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -5.693 4.363 6.321 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -8.771 0.652 5.346 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -7.986 4.835 5.581 1.00 0.00 H new ATOM 0 HH TYR A 45 -9.963 2.596 4.144 1.00 0.00 H new ATOM 695 N ILE A 46 -3.477 1.295 3.437 1.00 0.00 N ATOM 696 CA ILE A 46 -2.938 1.922 2.237 1.00 0.00 C ATOM 697 C ILE A 46 -4.056 2.373 1.304 1.00 0.00 C ATOM 698 O ILE A 46 -5.221 2.029 1.502 1.00 0.00 O ATOM 699 CB ILE A 46 -2.003 0.965 1.474 1.00 0.00 C ATOM 700 CG1 ILE A 46 -2.792 -0.227 0.927 1.00 0.00 C ATOM 701 CG2 ILE A 46 -0.877 0.490 2.380 1.00 0.00 C ATOM 702 CD1 ILE A 46 -2.078 -0.969 -0.180 1.00 0.00 C ATOM 0 H ILE A 46 -4.136 0.537 3.258 1.00 0.00 H new ATOM 0 HA ILE A 46 -2.367 2.791 2.564 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.565 1.503 0.633 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -2.999 -0.920 1.743 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -3.754 0.125 0.555 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -0.225 -0.185 1.826 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -0.301 1.349 2.725 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -1.297 -0.034 3.238 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -2.696 -1.800 -0.518 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -1.895 -0.291 -1.013 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -1.128 -1.352 0.192 1.00 0.00 H new ATOM 714 N ARG A 47 -3.693 3.144 0.284 1.00 0.00 N ATOM 715 CA ARG A 47 -4.665 3.644 -0.681 1.00 0.00 C ATOM 716 C ARG A 47 -4.224 3.330 -2.107 1.00 0.00 C ATOM 717 O ARG A 47 -3.114 3.672 -2.515 1.00 0.00 O ATOM 718 CB ARG A 47 -4.854 5.152 -0.513 1.00 0.00 C ATOM 719 CG ARG A 47 -5.652 5.795 -1.635 1.00 0.00 C ATOM 720 CD ARG A 47 -5.559 7.312 -1.589 1.00 0.00 C ATOM 721 NE ARG A 47 -6.743 7.952 -2.156 1.00 0.00 N ATOM 722 CZ ARG A 47 -6.868 9.265 -2.306 1.00 0.00 C ATOM 723 NH1 ARG A 47 -5.886 10.075 -1.934 1.00 0.00 N ATOM 724 NH2 ARG A 47 -7.977 9.772 -2.831 1.00 0.00 N ATOM 0 H ARG A 47 -2.732 3.436 0.105 1.00 0.00 H new ATOM 0 HA ARG A 47 -5.616 3.144 -0.495 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -5.357 5.343 0.435 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -3.875 5.628 -0.456 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -5.284 5.436 -2.596 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -6.696 5.491 -1.560 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -5.432 7.636 -0.556 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -4.674 7.637 -2.136 1.00 0.00 H new ATOM 0 HE ARG A 47 -7.517 7.357 -2.453 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -5.032 9.689 -1.531 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -5.985 11.083 -2.051 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -8.734 9.152 -3.120 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -8.072 10.781 -2.946 1.00 0.00 H new ATOM 738 N TYR A 48 -5.102 2.679 -2.862 1.00 0.00 N ATOM 739 CA TYR A 48 -4.803 2.318 -4.243 1.00 0.00 C ATOM 740 C TYR A 48 -5.993 2.609 -5.152 1.00 0.00 C ATOM 741 O TYR A 48 -7.128 2.245 -4.845 1.00 0.00 O ATOM 742 CB TYR A 48 -4.427 0.838 -4.335 1.00 0.00 C ATOM 743 CG TYR A 48 -4.425 0.299 -5.748 1.00 0.00 C ATOM 744 CD1 TYR A 48 -3.641 0.885 -6.733 1.00 0.00 C ATOM 745 CD2 TYR A 48 -5.207 -0.796 -6.095 1.00 0.00 C ATOM 746 CE1 TYR A 48 -3.638 0.396 -8.026 1.00 0.00 C ATOM 747 CE2 TYR A 48 -5.208 -1.291 -7.385 1.00 0.00 C ATOM 748 CZ TYR A 48 -4.423 -0.691 -8.347 1.00 0.00 C ATOM 749 OH TYR A 48 -4.420 -1.182 -9.632 1.00 0.00 O ATOM 0 H TYR A 48 -6.026 2.391 -2.541 1.00 0.00 H new ATOM 0 HA TYR A 48 -3.959 2.922 -4.575 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -3.438 0.696 -3.900 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -5.126 0.256 -3.734 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -3.024 1.736 -6.485 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -5.824 -1.268 -5.344 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -3.024 0.863 -8.781 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -5.821 -2.144 -7.639 1.00 0.00 H new ATOM 0 HH TYR A 48 -5.026 -1.950 -9.690 1.00 0.00 H new ATOM 759 N LEU A 49 -5.724 3.266 -6.276 1.00 0.00 N ATOM 760 CA LEU A 49 -6.770 3.606 -7.233 1.00 0.00 C ATOM 761 C LEU A 49 -7.827 4.498 -6.588 1.00 0.00 C ATOM 762 O LEU A 49 -9.014 4.393 -6.897 1.00 0.00 O ATOM 763 CB LEU A 49 -7.423 2.335 -7.779 1.00 0.00 C ATOM 764 CG LEU A 49 -6.699 1.656 -8.943 1.00 0.00 C ATOM 765 CD1 LEU A 49 -7.317 0.298 -9.235 1.00 0.00 C ATOM 766 CD2 LEU A 49 -6.735 2.539 -10.181 1.00 0.00 C ATOM 0 H LEU A 49 -4.790 3.574 -6.546 1.00 0.00 H new ATOM 0 HA LEU A 49 -6.311 4.153 -8.057 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -7.512 1.617 -6.964 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -8.436 2.580 -8.100 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.657 1.505 -8.660 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -6.790 -0.171 -10.066 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -7.238 -0.335 -8.351 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -8.367 0.425 -9.497 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -6.215 2.040 -10.999 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -7.771 2.722 -10.467 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -6.245 3.488 -9.965 1.00 0.00 H new ATOM 778 N GLY A 50 -7.388 5.377 -5.693 1.00 0.00 N ATOM 779 CA GLY A 50 -8.308 6.275 -5.022 1.00 0.00 C ATOM 780 C GLY A 50 -9.225 5.551 -4.055 1.00 0.00 C ATOM 781 O GLY A 50 -10.388 5.922 -3.895 1.00 0.00 O ATOM 0 H GLY A 50 -6.411 5.483 -5.421 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -7.741 7.033 -4.482 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -8.909 6.797 -5.766 1.00 0.00 H new ATOM 785 N LYS A 51 -8.701 4.513 -3.411 1.00 0.00 N ATOM 786 CA LYS A 51 -9.479 3.733 -2.456 1.00 0.00 C ATOM 787 C LYS A 51 -8.620 3.317 -1.266 1.00 0.00 C ATOM 788 O LYS A 51 -7.572 2.696 -1.435 1.00 0.00 O ATOM 789 CB LYS A 51 -10.065 2.494 -3.135 1.00 0.00 C ATOM 790 CG LYS A 51 -11.326 1.973 -2.469 1.00 0.00 C ATOM 791 CD LYS A 51 -12.212 1.229 -3.454 1.00 0.00 C ATOM 792 CE LYS A 51 -11.816 -0.235 -3.561 1.00 0.00 C ATOM 793 NZ LYS A 51 -12.702 -0.983 -4.496 1.00 0.00 N ATOM 0 H LYS A 51 -7.740 4.193 -3.533 1.00 0.00 H new ATOM 0 HA LYS A 51 -10.294 4.359 -2.092 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -10.286 2.731 -4.176 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -9.314 1.704 -3.140 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -11.057 1.309 -1.648 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -11.881 2.806 -2.037 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -13.252 1.304 -3.138 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -12.142 1.699 -4.435 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -10.784 -0.308 -3.903 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -11.858 -0.696 -2.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -12.399 -1.977 -4.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -13.684 -0.935 -4.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -12.642 -0.560 -5.444 1.00 0.00 H new ATOM 807 N GLU A 52 -9.073 3.662 -0.065 1.00 0.00 N ATOM 808 CA GLU A 52 -8.345 3.321 1.151 1.00 0.00 C ATOM 809 C GLU A 52 -8.889 2.036 1.770 1.00 0.00 C ATOM 810 O GLU A 52 -10.070 1.945 2.100 1.00 0.00 O ATOM 811 CB GLU A 52 -8.436 4.465 2.164 1.00 0.00 C ATOM 812 CG GLU A 52 -7.723 5.731 1.718 1.00 0.00 C ATOM 813 CD GLU A 52 -8.247 6.971 2.413 1.00 0.00 C ATOM 814 OE1 GLU A 52 -9.042 6.828 3.365 1.00 0.00 O ATOM 815 OE2 GLU A 52 -7.862 8.087 2.005 1.00 0.00 O ATOM 0 H GLU A 52 -9.940 4.177 0.092 1.00 0.00 H new ATOM 0 HA GLU A 52 -7.300 3.162 0.885 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -9.486 4.694 2.347 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -8.012 4.134 3.112 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -6.656 5.632 1.916 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -7.837 5.847 0.640 1.00 0.00 H new ATOM 822 N GLY A 53 -8.017 1.045 1.923 1.00 0.00 N ATOM 823 CA GLY A 53 -8.427 -0.223 2.500 1.00 0.00 C ATOM 824 C GLY A 53 -7.320 -0.881 3.299 1.00 0.00 C ATOM 825 O GLY A 53 -6.230 -0.327 3.435 1.00 0.00 O ATOM 0 H GLY A 53 -7.033 1.097 1.658 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -9.291 -0.063 3.145 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -8.745 -0.895 1.703 1.00 0.00 H new ATOM 829 N TRP A 54 -7.601 -2.066 3.830 1.00 0.00 N ATOM 830 CA TRP A 54 -6.620 -2.800 4.621 1.00 0.00 C ATOM 831 C TRP A 54 -5.824 -3.761 3.745 1.00 0.00 C ATOM 832 O TRP A 54 -6.391 -4.485 2.928 1.00 0.00 O ATOM 833 CB TRP A 54 -7.316 -3.571 5.744 1.00 0.00 C ATOM 834 CG TRP A 54 -7.677 -2.712 6.919 1.00 0.00 C ATOM 835 CD1 TRP A 54 -8.934 -2.425 7.368 1.00 0.00 C ATOM 836 CD2 TRP A 54 -6.770 -2.029 7.791 1.00 0.00 C ATOM 837 NE1 TRP A 54 -8.864 -1.604 8.467 1.00 0.00 N ATOM 838 CE2 TRP A 54 -7.548 -1.347 8.748 1.00 0.00 C ATOM 839 CE3 TRP A 54 -5.378 -1.927 7.859 1.00 0.00 C ATOM 840 CZ2 TRP A 54 -6.978 -0.576 9.757 1.00 0.00 C ATOM 841 CZ3 TRP A 54 -4.814 -1.162 8.861 1.00 0.00 C ATOM 842 CH2 TRP A 54 -5.613 -0.494 9.800 1.00 0.00 C ATOM 0 H TRP A 54 -8.499 -2.538 3.727 1.00 0.00 H new ATOM 0 HA TRP A 54 -5.929 -2.080 5.058 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -8.221 -4.035 5.350 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -6.664 -4.378 6.079 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -9.849 -2.790 6.924 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -9.663 -1.244 8.989 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -4.754 -2.438 7.140 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -7.592 -0.060 10.481 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -3.739 -1.077 8.922 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -5.142 0.096 10.572 1.00 0.00 H new ATOM 853 N ALA A 55 -4.506 -3.763 3.924 1.00 0.00 N ATOM 854 CA ALA A 55 -3.633 -4.638 3.151 1.00 0.00 C ATOM 855 C ALA A 55 -2.479 -5.154 4.004 1.00 0.00 C ATOM 856 O ALA A 55 -1.950 -4.451 4.866 1.00 0.00 O ATOM 857 CB ALA A 55 -3.101 -3.905 1.927 1.00 0.00 C ATOM 0 H ALA A 55 -4.021 -3.169 4.597 1.00 0.00 H new ATOM 0 HA ALA A 55 -4.219 -5.496 2.821 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -2.451 -4.570 1.359 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -3.935 -3.591 1.300 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -2.536 -3.029 2.245 1.00 0.00 H new ATOM 863 N PRO A 56 -2.078 -6.410 3.761 1.00 0.00 N ATOM 864 CA PRO A 56 -0.983 -7.048 4.497 1.00 0.00 C ATOM 865 C PRO A 56 0.374 -6.445 4.154 1.00 0.00 C ATOM 866 O PRO A 56 0.750 -6.362 2.985 1.00 0.00 O ATOM 867 CB PRO A 56 -1.050 -8.508 4.039 1.00 0.00 C ATOM 868 CG PRO A 56 -1.695 -8.453 2.697 1.00 0.00 C ATOM 869 CD PRO A 56 -2.663 -7.305 2.747 1.00 0.00 C ATOM 0 HA PRO A 56 -1.087 -6.920 5.574 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -0.056 -8.952 3.983 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -1.631 -9.115 4.733 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -0.952 -8.303 1.913 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -2.210 -9.387 2.473 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -2.752 -6.812 1.779 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -3.663 -7.634 3.030 1.00 0.00 H new ATOM 877 N ALA A 57 1.107 -6.026 5.181 1.00 0.00 N ATOM 878 CA ALA A 57 2.424 -5.433 4.989 1.00 0.00 C ATOM 879 C ALA A 57 3.382 -6.423 4.335 1.00 0.00 C ATOM 880 O ALA A 57 4.484 -6.057 3.924 1.00 0.00 O ATOM 881 CB ALA A 57 2.986 -4.951 6.318 1.00 0.00 C ATOM 0 H ALA A 57 0.810 -6.087 6.155 1.00 0.00 H new ATOM 0 HA ALA A 57 2.316 -4.578 4.322 1.00 0.00 H new ATOM 0 HB1 ALA A 57 3.970 -4.510 6.159 1.00 0.00 H new ATOM 0 HB2 ALA A 57 2.318 -4.203 6.745 1.00 0.00 H new ATOM 0 HB3 ALA A 57 3.073 -5.794 7.004 1.00 0.00 H new ATOM 887 N SER A 58 2.955 -7.678 4.241 1.00 0.00 N ATOM 888 CA SER A 58 3.778 -8.722 3.640 1.00 0.00 C ATOM 889 C SER A 58 3.777 -8.608 2.119 1.00 0.00 C ATOM 890 O SER A 58 4.687 -9.093 1.448 1.00 0.00 O ATOM 891 CB SER A 58 3.270 -10.104 4.059 1.00 0.00 C ATOM 892 OG SER A 58 4.187 -11.118 3.687 1.00 0.00 O ATOM 0 H SER A 58 2.045 -7.997 4.573 1.00 0.00 H new ATOM 0 HA SER A 58 4.800 -8.594 3.995 1.00 0.00 H new ATOM 0 HB2 SER A 58 3.116 -10.127 5.138 1.00 0.00 H new ATOM 0 HB3 SER A 58 2.303 -10.296 3.595 1.00 0.00 H new ATOM 0 HG SER A 58 3.841 -11.991 3.967 1.00 0.00 H new ATOM 898 N TYR A 59 2.747 -7.962 1.582 1.00 0.00 N ATOM 899 CA TYR A 59 2.625 -7.784 0.140 1.00 0.00 C ATOM 900 C TYR A 59 3.104 -6.398 -0.281 1.00 0.00 C ATOM 901 O TYR A 59 2.833 -5.947 -1.394 1.00 0.00 O ATOM 902 CB TYR A 59 1.174 -7.989 -0.299 1.00 0.00 C ATOM 903 CG TYR A 59 0.718 -9.429 -0.227 1.00 0.00 C ATOM 904 CD1 TYR A 59 0.559 -10.068 0.997 1.00 0.00 C ATOM 905 CD2 TYR A 59 0.445 -10.150 -1.382 1.00 0.00 C ATOM 906 CE1 TYR A 59 0.143 -11.384 1.067 1.00 0.00 C ATOM 907 CE2 TYR A 59 0.029 -11.466 -1.322 1.00 0.00 C ATOM 908 CZ TYR A 59 -0.122 -12.079 -0.095 1.00 0.00 C ATOM 909 OH TYR A 59 -0.536 -13.388 -0.030 1.00 0.00 O ATOM 0 H TYR A 59 1.985 -7.553 2.124 1.00 0.00 H new ATOM 0 HA TYR A 59 3.254 -8.529 -0.347 1.00 0.00 H new ATOM 0 HB2 TYR A 59 0.524 -7.379 0.328 1.00 0.00 H new ATOM 0 HB3 TYR A 59 1.058 -7.631 -1.322 1.00 0.00 H new ATOM 0 HD1 TYR A 59 0.764 -9.527 1.909 1.00 0.00 H new ATOM 0 HD2 TYR A 59 0.560 -9.673 -2.344 1.00 0.00 H new ATOM 0 HE1 TYR A 59 0.026 -11.866 2.026 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -0.177 -12.012 -2.231 1.00 0.00 H new ATOM 0 HH TYR A 59 -0.680 -13.731 -0.937 1.00 0.00 H new ATOM 919 N LEU A 60 3.819 -5.729 0.617 1.00 0.00 N ATOM 920 CA LEU A 60 4.338 -4.394 0.340 1.00 0.00 C ATOM 921 C LEU A 60 5.803 -4.283 0.750 1.00 0.00 C ATOM 922 O LEU A 60 6.234 -4.900 1.725 1.00 0.00 O ATOM 923 CB LEU A 60 3.510 -3.340 1.077 1.00 0.00 C ATOM 924 CG LEU A 60 1.993 -3.532 1.038 1.00 0.00 C ATOM 925 CD1 LEU A 60 1.321 -2.692 2.115 1.00 0.00 C ATOM 926 CD2 LEU A 60 1.445 -3.177 -0.336 1.00 0.00 C ATOM 0 H LEU A 60 4.052 -6.089 1.542 1.00 0.00 H new ATOM 0 HA LEU A 60 4.266 -4.219 -0.733 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.827 -3.321 2.120 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.744 -2.363 0.655 1.00 0.00 H new ATOM 0 HG LEU A 60 1.774 -4.582 1.234 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.242 -2.841 2.072 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.691 -2.994 3.095 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.548 -1.639 1.950 1.00 0.00 H new ATOM 0 HD21 LEU A 60 0.364 -3.320 -0.345 1.00 0.00 H new ATOM 0 HD22 LEU A 60 1.675 -2.136 -0.562 1.00 0.00 H new ATOM 0 HD23 LEU A 60 1.902 -3.821 -1.087 1.00 0.00 H new ATOM 938 N LYS A 61 6.563 -3.493 0.001 1.00 0.00 N ATOM 939 CA LYS A 61 7.980 -3.298 0.287 1.00 0.00 C ATOM 940 C LYS A 61 8.351 -1.819 0.219 1.00 0.00 C ATOM 941 O LYS A 61 7.960 -1.114 -0.712 1.00 0.00 O ATOM 942 CB LYS A 61 8.836 -4.096 -0.699 1.00 0.00 C ATOM 943 CG LYS A 61 8.801 -3.548 -2.115 1.00 0.00 C ATOM 944 CD LYS A 61 9.740 -4.315 -3.033 1.00 0.00 C ATOM 945 CE LYS A 61 9.984 -3.564 -4.332 1.00 0.00 C ATOM 946 NZ LYS A 61 11.066 -2.549 -4.191 1.00 0.00 N ATOM 0 H LYS A 61 6.222 -2.976 -0.810 1.00 0.00 H new ATOM 0 HA LYS A 61 8.173 -3.657 1.298 1.00 0.00 H new ATOM 0 HB2 LYS A 61 9.868 -4.105 -0.347 1.00 0.00 H new ATOM 0 HB3 LYS A 61 8.494 -5.131 -0.710 1.00 0.00 H new ATOM 0 HG2 LYS A 61 7.784 -3.605 -2.503 1.00 0.00 H new ATOM 0 HG3 LYS A 61 9.080 -2.494 -2.105 1.00 0.00 H new ATOM 0 HD2 LYS A 61 10.690 -4.484 -2.525 1.00 0.00 H new ATOM 0 HD3 LYS A 61 9.317 -5.295 -3.252 1.00 0.00 H new ATOM 0 HE2 LYS A 61 10.250 -4.272 -5.117 1.00 0.00 H new ATOM 0 HE3 LYS A 61 9.063 -3.072 -4.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 11.202 -2.058 -5.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 10.801 -1.858 -3.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 11.951 -3.021 -3.916 1.00 0.00 H new ATOM 960 N LYS A 62 9.108 -1.357 1.208 1.00 0.00 N ATOM 961 CA LYS A 62 9.534 0.036 1.258 1.00 0.00 C ATOM 962 C LYS A 62 10.359 0.398 0.027 1.00 0.00 C ATOM 963 O LYS A 62 11.397 -0.208 -0.237 1.00 0.00 O ATOM 964 CB LYS A 62 10.351 0.296 2.526 1.00 0.00 C ATOM 965 CG LYS A 62 10.273 1.731 3.017 1.00 0.00 C ATOM 966 CD LYS A 62 11.102 2.662 2.150 1.00 0.00 C ATOM 967 CE LYS A 62 11.290 4.020 2.810 1.00 0.00 C ATOM 968 NZ LYS A 62 12.213 4.893 2.033 1.00 0.00 N ATOM 0 H LYS A 62 9.439 -1.927 1.986 1.00 0.00 H new ATOM 0 HA LYS A 62 8.642 0.662 1.273 1.00 0.00 H new ATOM 0 HB2 LYS A 62 10.001 -0.369 3.316 1.00 0.00 H new ATOM 0 HB3 LYS A 62 11.394 0.043 2.334 1.00 0.00 H new ATOM 0 HG2 LYS A 62 9.234 2.061 3.017 1.00 0.00 H new ATOM 0 HG3 LYS A 62 10.624 1.784 4.048 1.00 0.00 H new ATOM 0 HD2 LYS A 62 12.076 2.211 1.959 1.00 0.00 H new ATOM 0 HD3 LYS A 62 10.615 2.791 1.183 1.00 0.00 H new ATOM 0 HE2 LYS A 62 10.323 4.512 2.909 1.00 0.00 H new ATOM 0 HE3 LYS A 62 11.683 3.883 3.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 11.898 5.882 2.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 13.176 4.808 2.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 12.210 4.600 1.035 1.00 0.00 H new ATOM 982 N ALA A 63 9.890 1.391 -0.723 1.00 0.00 N ATOM 983 CA ALA A 63 10.586 1.836 -1.923 1.00 0.00 C ATOM 984 C ALA A 63 11.858 2.598 -1.570 1.00 0.00 C ATOM 985 O ALA A 63 11.818 3.588 -0.839 1.00 0.00 O ATOM 986 CB ALA A 63 9.669 2.700 -2.775 1.00 0.00 C ATOM 0 H ALA A 63 9.031 1.902 -0.520 1.00 0.00 H new ATOM 0 HA ALA A 63 10.871 0.954 -2.496 1.00 0.00 H new ATOM 0 HB1 ALA A 63 10.202 3.025 -3.668 1.00 0.00 H new ATOM 0 HB2 ALA A 63 8.792 2.122 -3.066 1.00 0.00 H new ATOM 0 HB3 ALA A 63 9.355 3.572 -2.202 1.00 0.00 H new ATOM 992 N LYS A 64 12.987 2.132 -2.093 1.00 0.00 N ATOM 993 CA LYS A 64 14.271 2.770 -1.833 1.00 0.00 C ATOM 994 C LYS A 64 14.501 3.938 -2.787 1.00 0.00 C ATOM 995 O LYS A 64 14.119 3.882 -3.955 1.00 0.00 O ATOM 996 CB LYS A 64 15.407 1.752 -1.974 1.00 0.00 C ATOM 997 CG LYS A 64 15.467 0.747 -0.837 1.00 0.00 C ATOM 998 CD LYS A 64 16.213 -0.512 -1.245 1.00 0.00 C ATOM 999 CE LYS A 64 17.716 -0.276 -1.298 1.00 0.00 C ATOM 1000 NZ LYS A 64 18.478 -1.555 -1.327 1.00 0.00 N ATOM 0 H LYS A 64 13.038 1.314 -2.700 1.00 0.00 H new ATOM 0 HA LYS A 64 14.258 3.154 -0.813 1.00 0.00 H new ATOM 0 HB2 LYS A 64 15.289 1.216 -2.916 1.00 0.00 H new ATOM 0 HB3 LYS A 64 16.356 2.285 -2.028 1.00 0.00 H new ATOM 0 HG2 LYS A 64 15.959 1.199 0.024 1.00 0.00 H new ATOM 0 HG3 LYS A 64 14.455 0.487 -0.526 1.00 0.00 H new ATOM 0 HD2 LYS A 64 15.994 -1.312 -0.538 1.00 0.00 H new ATOM 0 HD3 LYS A 64 15.861 -0.845 -2.221 1.00 0.00 H new ATOM 0 HE2 LYS A 64 17.960 0.312 -2.183 1.00 0.00 H new ATOM 0 HE3 LYS A 64 18.022 0.310 -0.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 19.497 -1.351 -1.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 18.265 -2.106 -0.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 18.205 -2.103 -2.168 1.00 0.00 H new ATOM 1014 N ASP A 65 15.127 4.995 -2.280 1.00 0.00 N ATOM 1015 CA ASP A 65 15.410 6.176 -3.087 1.00 0.00 C ATOM 1016 C ASP A 65 16.537 6.999 -2.470 1.00 0.00 C ATOM 1017 O ASP A 65 16.954 6.749 -1.339 1.00 0.00 O ATOM 1018 CB ASP A 65 14.153 7.035 -3.230 1.00 0.00 C ATOM 1019 CG ASP A 65 13.814 7.783 -1.956 1.00 0.00 C ATOM 1020 OD1 ASP A 65 14.181 7.295 -0.866 1.00 0.00 O ATOM 1021 OD2 ASP A 65 13.185 8.856 -2.048 1.00 0.00 O ATOM 0 H ASP A 65 15.448 5.058 -1.314 1.00 0.00 H new ATOM 0 HA ASP A 65 15.727 5.843 -4.075 1.00 0.00 H new ATOM 0 HB2 ASP A 65 14.295 7.750 -4.040 1.00 0.00 H new ATOM 0 HB3 ASP A 65 13.312 6.400 -3.509 1.00 0.00 H new ATOM 1026 N SER A 66 17.024 7.981 -3.221 1.00 0.00 N ATOM 1027 CA SER A 66 18.106 8.838 -2.750 1.00 0.00 C ATOM 1028 C SER A 66 17.656 10.295 -2.685 1.00 0.00 C ATOM 1029 O SER A 66 18.405 11.204 -3.038 1.00 0.00 O ATOM 1030 CB SER A 66 19.323 8.710 -3.667 1.00 0.00 C ATOM 1031 OG SER A 66 19.797 7.374 -3.701 1.00 0.00 O ATOM 0 H SER A 66 16.687 8.203 -4.158 1.00 0.00 H new ATOM 0 HA SER A 66 18.381 8.515 -1.746 1.00 0.00 H new ATOM 0 HB2 SER A 66 19.059 9.031 -4.674 1.00 0.00 H new ATOM 0 HB3 SER A 66 20.116 9.372 -3.319 1.00 0.00 H new ATOM 0 HG SER A 66 20.574 7.318 -4.295 1.00 0.00 H new ATOM 1037 N GLY A 67 16.425 10.507 -2.230 1.00 0.00 N ATOM 1038 CA GLY A 67 15.894 11.854 -2.127 1.00 0.00 C ATOM 1039 C GLY A 67 15.816 12.339 -0.692 1.00 0.00 C ATOM 1040 O GLY A 67 16.510 11.838 0.193 1.00 0.00 O ATOM 0 H GLY A 67 15.786 9.770 -1.931 1.00 0.00 H new ATOM 0 HA2 GLY A 67 16.522 12.534 -2.703 1.00 0.00 H new ATOM 0 HA3 GLY A 67 14.899 11.884 -2.572 1.00 0.00 H new ATOM 1044 N PRO A 68 14.955 13.337 -0.446 1.00 0.00 N ATOM 1045 CA PRO A 68 14.770 13.911 0.889 1.00 0.00 C ATOM 1046 C PRO A 68 14.076 12.946 1.844 1.00 0.00 C ATOM 1047 O PRO A 68 12.890 12.653 1.693 1.00 0.00 O ATOM 1048 CB PRO A 68 13.887 15.135 0.630 1.00 0.00 C ATOM 1049 CG PRO A 68 13.155 14.813 -0.626 1.00 0.00 C ATOM 1050 CD PRO A 68 14.096 13.982 -1.453 1.00 0.00 C ATOM 0 HA PRO A 68 15.721 14.148 1.366 1.00 0.00 H new ATOM 0 HB2 PRO A 68 13.198 15.308 1.457 1.00 0.00 H new ATOM 0 HB3 PRO A 68 14.486 16.039 0.519 1.00 0.00 H new ATOM 0 HG2 PRO A 68 12.236 14.266 -0.413 1.00 0.00 H new ATOM 0 HG3 PRO A 68 12.870 15.722 -1.155 1.00 0.00 H new ATOM 0 HD2 PRO A 68 13.561 13.247 -2.055 1.00 0.00 H new ATOM 0 HD3 PRO A 68 14.676 14.597 -2.142 1.00 0.00 H new ATOM 1058 N SER A 69 14.822 12.454 2.828 1.00 0.00 N ATOM 1059 CA SER A 69 14.279 11.519 3.805 1.00 0.00 C ATOM 1060 C SER A 69 13.989 12.222 5.128 1.00 0.00 C ATOM 1061 O SER A 69 12.860 12.207 5.618 1.00 0.00 O ATOM 1062 CB SER A 69 15.253 10.362 4.033 1.00 0.00 C ATOM 1063 OG SER A 69 15.131 9.384 3.014 1.00 0.00 O ATOM 0 H SER A 69 15.805 12.688 2.969 1.00 0.00 H new ATOM 0 HA SER A 69 13.343 11.124 3.410 1.00 0.00 H new ATOM 0 HB2 SER A 69 16.274 10.742 4.057 1.00 0.00 H new ATOM 0 HB3 SER A 69 15.060 9.906 5.004 1.00 0.00 H new ATOM 0 HG SER A 69 15.765 8.656 3.182 1.00 0.00 H new ATOM 1069 N SER A 70 15.019 12.839 5.701 1.00 0.00 N ATOM 1070 CA SER A 70 14.877 13.545 6.968 1.00 0.00 C ATOM 1071 C SER A 70 14.696 15.043 6.739 1.00 0.00 C ATOM 1072 O SER A 70 15.637 15.744 6.368 1.00 0.00 O ATOM 1073 CB SER A 70 16.101 13.297 7.853 1.00 0.00 C ATOM 1074 OG SER A 70 16.010 14.029 9.064 1.00 0.00 O ATOM 0 H SER A 70 15.960 12.864 5.307 1.00 0.00 H new ATOM 0 HA SER A 70 13.989 13.163 7.471 1.00 0.00 H new ATOM 0 HB2 SER A 70 16.185 12.233 8.073 1.00 0.00 H new ATOM 0 HB3 SER A 70 17.006 13.585 7.317 1.00 0.00 H new ATOM 0 HG SER A 70 16.802 13.853 9.613 1.00 0.00 H new ATOM 1080 N GLY A 71 13.477 15.526 6.961 1.00 0.00 N ATOM 1081 CA GLY A 71 13.194 16.937 6.774 1.00 0.00 C ATOM 1082 C GLY A 71 13.762 17.796 7.886 1.00 0.00 C ATOM 1083 O GLY A 71 13.916 19.007 7.727 1.00 0.00 O ATOM 0 H GLY A 71 12.681 14.966 7.267 1.00 0.00 H new ATOM 0 HA2 GLY A 71 13.607 17.264 5.820 1.00 0.00 H new ATOM 0 HA3 GLY A 71 12.115 17.084 6.721 1.00 0.00 H new TER 1087 GLY A 71