USER MOD reduce.3.24.130724 H: found=0, std=0, add=591, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 589 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 5 CYS SG : rot -128:sc= -1.68 USER MOD Set 1.2: A 10 CYS SG : rot 50:sc= -0.172 USER MOD Set 1.3: A 54 CYS SG : rot -67:sc= -1.68 USER MOD Set 1.4: A 57 HIS : no HD1:sc= -3.54 K(o=-7.1,f=-13!) USER MOD Set 2.1: A 21 SER OG : rot 180:sc= 0.0652 USER MOD Set 2.2: A 23 HIS : no HD1:sc= -5.07! C(o=-5.8!,f=-6.7!) USER MOD Set 2.3: A 55 SER OG : rot -72:sc= -0.801 USER MOD Single : A 3 GLN : amide:sc= -0.0146 X(o=-0.015,f=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0.02 USER MOD Single : A 6 SER OG : rot 143:sc= -4.73! USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN :FLIP amide:sc= -6.08! C(o=-10!,f=-6.1!) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 153:sc= -0.389 (180deg=-1.53!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.0166 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 CYS SG : rot 125:sc= -0.0818 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= -0.613 K(o=-0.61,f=-2.9!) USER MOD Single : A 46 LYS NZ :NH3+ 140:sc= -1.38 (180deg=-2.98!) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ -157:sc= -0.081 (180deg=-0.433) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot -150:sc= -1.71 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0.00794 USER MOD Single : A 62 CYS SG : rot -42:sc= -2.2 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 THR OG1 : rot -143:sc= -0.257 USER MOD ----------------------------------------------------------------- ATOM 20 N VAL A 2 -9.072 10.351 10.550 1.00 0.00 N ATOM 21 CA VAL A 2 -8.895 9.545 11.757 1.00 0.00 C ATOM 22 C VAL A 2 -7.712 8.583 11.621 1.00 0.00 C ATOM 23 O VAL A 2 -7.589 7.623 12.381 1.00 0.00 O ATOM 24 CB VAL A 2 -10.180 8.763 12.126 1.00 0.00 C ATOM 25 CG1 VAL A 2 -10.344 7.502 11.284 1.00 0.00 C ATOM 26 CG2 VAL A 2 -10.181 8.419 13.608 1.00 0.00 C ATOM 0 HA VAL A 2 -8.682 10.242 12.567 1.00 0.00 H new ATOM 0 HB VAL A 2 -11.031 9.409 11.909 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -11.258 6.985 11.577 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -10.402 7.773 10.230 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -9.489 6.845 11.443 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -11.090 7.870 13.853 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -9.311 7.804 13.839 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -10.142 9.337 14.195 1.00 0.00 H new ATOM 36 N GLN A 3 -6.843 8.858 10.653 1.00 0.00 N ATOM 37 CA GLN A 3 -5.668 8.041 10.408 1.00 0.00 C ATOM 38 C GLN A 3 -4.758 8.753 9.423 1.00 0.00 C ATOM 39 O GLN A 3 -5.223 9.366 8.462 1.00 0.00 O ATOM 40 CB GLN A 3 -6.063 6.662 9.864 1.00 0.00 C ATOM 41 CG GLN A 3 -4.884 5.774 9.481 1.00 0.00 C ATOM 42 CD GLN A 3 -4.270 5.077 10.680 1.00 0.00 C ATOM 43 OE1 GLN A 3 -4.860 4.156 11.246 1.00 0.00 O ATOM 44 NE2 GLN A 3 -3.082 5.517 11.077 1.00 0.00 N ATOM 0 H GLN A 3 -6.937 9.652 10.020 1.00 0.00 H new ATOM 0 HA GLN A 3 -5.140 7.891 11.350 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -6.661 6.146 10.615 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -6.698 6.799 8.989 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -5.215 5.026 8.760 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -4.123 6.378 8.987 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -2.629 6.283 10.578 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -2.622 5.089 11.881 1.00 0.00 H new ATOM 53 N SER A 4 -3.467 8.690 9.681 1.00 0.00 N ATOM 54 CA SER A 4 -2.492 9.355 8.825 1.00 0.00 C ATOM 55 C SER A 4 -1.901 8.423 7.776 1.00 0.00 C ATOM 56 O SER A 4 -2.064 7.204 7.823 1.00 0.00 O ATOM 57 CB SER A 4 -1.364 9.972 9.647 1.00 0.00 C ATOM 58 OG SER A 4 -1.508 9.673 11.024 1.00 0.00 O ATOM 0 H SER A 4 -3.065 8.188 10.473 1.00 0.00 H new ATOM 0 HA SER A 4 -3.037 10.144 8.306 1.00 0.00 H new ATOM 0 HB2 SER A 4 -0.404 9.598 9.290 1.00 0.00 H new ATOM 0 HB3 SER A 4 -1.358 11.053 9.506 1.00 0.00 H new ATOM 0 HG SER A 4 -0.771 10.079 11.526 1.00 0.00 H new ATOM 64 N CYS A 5 -1.210 9.043 6.830 1.00 0.00 N ATOM 65 CA CYS A 5 -0.564 8.348 5.729 1.00 0.00 C ATOM 66 C CYS A 5 0.846 8.923 5.535 1.00 0.00 C ATOM 67 O CYS A 5 1.200 9.911 6.178 1.00 0.00 O ATOM 68 CB CYS A 5 -1.459 8.478 4.483 1.00 0.00 C ATOM 69 SG CYS A 5 -0.662 9.105 2.991 1.00 0.00 S ATOM 0 H CYS A 5 -1.082 10.055 6.806 1.00 0.00 H new ATOM 0 HA CYS A 5 -0.442 7.284 5.931 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -1.880 7.498 4.260 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -2.293 9.135 4.728 1.00 0.00 H new ATOM 0 HG CYS A 5 -1.351 10.100 2.517 1.00 0.00 H new ATOM 74 N SER A 6 1.660 8.307 4.678 1.00 0.00 N ATOM 75 CA SER A 6 3.022 8.788 4.466 1.00 0.00 C ATOM 76 C SER A 6 3.021 10.100 3.702 1.00 0.00 C ATOM 77 O SER A 6 3.727 11.042 4.062 1.00 0.00 O ATOM 78 CB SER A 6 3.850 7.748 3.716 1.00 0.00 C ATOM 79 OG SER A 6 5.213 8.131 3.670 1.00 0.00 O ATOM 0 H SER A 6 1.404 7.487 4.128 1.00 0.00 H new ATOM 0 HA SER A 6 3.472 8.957 5.444 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.756 6.779 4.206 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.465 7.632 2.703 1.00 0.00 H new ATOM 0 HG SER A 6 5.779 7.336 3.759 1.00 0.00 H new ATOM 85 N ALA A 7 2.222 10.147 2.648 1.00 0.00 N ATOM 86 CA ALA A 7 2.111 11.345 1.815 1.00 0.00 C ATOM 87 C ALA A 7 2.054 12.611 2.669 1.00 0.00 C ATOM 88 O ALA A 7 1.197 12.744 3.543 1.00 0.00 O ATOM 89 CB ALA A 7 0.887 11.253 0.917 1.00 0.00 C ATOM 0 H ALA A 7 1.637 9.369 2.344 1.00 0.00 H new ATOM 0 HA ALA A 7 3.002 11.404 1.190 1.00 0.00 H new ATOM 0 HB1 ALA A 7 0.818 12.151 0.303 1.00 0.00 H new ATOM 0 HB2 ALA A 7 0.974 10.379 0.272 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -0.009 11.163 1.531 1.00 0.00 H new ATOM 95 N TYR A 8 2.981 13.528 2.418 1.00 0.00 N ATOM 96 CA TYR A 8 3.053 14.778 3.168 1.00 0.00 C ATOM 97 C TYR A 8 1.789 15.613 2.983 1.00 0.00 C ATOM 98 O TYR A 8 1.348 15.850 1.858 1.00 0.00 O ATOM 99 CB TYR A 8 4.277 15.586 2.736 1.00 0.00 C ATOM 100 CG TYR A 8 4.797 16.522 3.803 1.00 0.00 C ATOM 101 CD1 TYR A 8 4.984 16.084 5.109 1.00 0.00 C ATOM 102 CD2 TYR A 8 5.100 17.844 3.506 1.00 0.00 C ATOM 103 CE1 TYR A 8 5.458 16.936 6.087 1.00 0.00 C ATOM 104 CE2 TYR A 8 5.576 18.703 4.479 1.00 0.00 C ATOM 105 CZ TYR A 8 5.753 18.245 5.767 1.00 0.00 C ATOM 106 OH TYR A 8 6.226 19.097 6.739 1.00 0.00 O ATOM 0 H TYR A 8 3.697 13.429 1.698 1.00 0.00 H new ATOM 0 HA TYR A 8 3.142 14.526 4.225 1.00 0.00 H new ATOM 0 HB2 TYR A 8 5.073 14.898 2.450 1.00 0.00 H new ATOM 0 HB3 TYR A 8 4.023 16.166 1.849 1.00 0.00 H new ATOM 0 HD1 TYR A 8 4.755 15.060 5.363 1.00 0.00 H new ATOM 0 HD2 TYR A 8 4.962 18.207 2.498 1.00 0.00 H new ATOM 0 HE1 TYR A 8 5.597 16.579 7.097 1.00 0.00 H new ATOM 0 HE2 TYR A 8 5.808 19.728 4.231 1.00 0.00 H new ATOM 0 HH TYR A 8 6.385 19.982 6.349 1.00 0.00 H new ATOM 116 N GLY A 9 1.217 16.062 4.097 1.00 0.00 N ATOM 117 CA GLY A 9 0.013 16.875 4.045 1.00 0.00 C ATOM 118 C GLY A 9 -1.083 16.244 3.217 1.00 0.00 C ATOM 119 O GLY A 9 -1.678 16.892 2.355 1.00 0.00 O ATOM 0 H GLY A 9 1.567 15.877 5.037 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -0.353 17.040 5.058 1.00 0.00 H new ATOM 0 HA3 GLY A 9 0.258 17.853 3.631 1.00 0.00 H new ATOM 123 N CYS A 10 -1.344 14.979 3.481 1.00 0.00 N ATOM 124 CA CYS A 10 -2.368 14.241 2.767 1.00 0.00 C ATOM 125 C CYS A 10 -3.759 14.567 3.321 1.00 0.00 C ATOM 126 O CYS A 10 -3.887 15.062 4.440 1.00 0.00 O ATOM 127 CB CYS A 10 -2.084 12.741 2.860 1.00 0.00 C ATOM 128 SG CYS A 10 -3.145 11.737 1.802 1.00 0.00 S ATOM 0 H CYS A 10 -0.855 14.436 4.193 1.00 0.00 H new ATOM 0 HA CYS A 10 -2.350 14.538 1.718 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -1.043 12.560 2.593 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -2.208 12.420 3.894 1.00 0.00 H new ATOM 0 HG CYS A 10 -3.140 12.223 0.596 1.00 0.00 H new ATOM 133 N LYS A 11 -4.797 14.300 2.527 1.00 0.00 N ATOM 134 CA LYS A 11 -6.169 14.577 2.935 1.00 0.00 C ATOM 135 C LYS A 11 -6.937 13.292 3.238 1.00 0.00 C ATOM 136 O LYS A 11 -8.168 13.274 3.234 1.00 0.00 O ATOM 137 CB LYS A 11 -6.890 15.373 1.846 1.00 0.00 C ATOM 138 CG LYS A 11 -7.674 16.556 2.378 1.00 0.00 C ATOM 139 CD LYS A 11 -6.794 17.787 2.486 1.00 0.00 C ATOM 140 CE LYS A 11 -7.441 18.860 3.347 1.00 0.00 C ATOM 141 NZ LYS A 11 -7.129 20.230 2.854 1.00 0.00 N ATOM 0 H LYS A 11 -4.710 13.891 1.596 1.00 0.00 H new ATOM 0 HA LYS A 11 -6.131 15.167 3.851 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -6.157 15.729 1.122 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -7.569 14.709 1.311 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -8.517 16.764 1.719 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -8.087 16.313 3.357 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -5.830 17.510 2.912 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -6.600 18.186 1.490 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -8.521 18.715 3.357 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -7.096 18.757 4.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -7.588 20.933 3.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -6.100 20.378 2.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -7.481 20.337 1.881 1.00 0.00 H new ATOM 155 N ASN A 12 -6.199 12.222 3.497 1.00 0.00 N ATOM 156 CA ASN A 12 -6.782 10.926 3.801 1.00 0.00 C ATOM 157 C ASN A 12 -7.697 10.972 5.021 1.00 0.00 C ATOM 158 O ASN A 12 -7.641 11.904 5.823 1.00 0.00 O ATOM 159 CB ASN A 12 -5.659 9.938 4.061 1.00 0.00 C ATOM 160 CG ASN A 12 -4.962 10.215 5.376 1.00 0.00 C ATOM 161 OD1 ASN A 12 -4.034 9.355 5.726 1.00 0.00 O flip ATOM 162 ND2 ASN A 12 -5.254 11.195 6.061 1.00 0.00 N flip ATOM 0 H ASN A 12 -5.179 12.229 3.502 1.00 0.00 H new ATOM 0 HA ASN A 12 -7.388 10.622 2.948 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -6.060 8.925 4.068 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -4.935 9.988 3.248 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -5.983 11.837 5.749 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -4.767 11.365 6.941 1.00 0.00 H new ATOM 169 N ARG A 13 -8.517 9.936 5.162 1.00 0.00 N ATOM 170 CA ARG A 13 -9.431 9.828 6.303 1.00 0.00 C ATOM 171 C ARG A 13 -10.085 8.452 6.369 1.00 0.00 C ATOM 172 O ARG A 13 -10.860 8.081 5.491 1.00 0.00 O ATOM 173 CB ARG A 13 -10.513 10.908 6.248 1.00 0.00 C ATOM 174 CG ARG A 13 -10.889 11.337 4.836 1.00 0.00 C ATOM 175 CD ARG A 13 -11.748 12.595 4.832 1.00 0.00 C ATOM 176 NE ARG A 13 -11.087 13.705 4.150 1.00 0.00 N ATOM 177 CZ ARG A 13 -11.653 14.891 3.945 1.00 0.00 C ATOM 178 NH1 ARG A 13 -12.890 15.126 4.367 1.00 0.00 N ATOM 179 NH2 ARG A 13 -10.982 15.846 3.317 1.00 0.00 N ATOM 0 H ARG A 13 -8.571 9.158 4.504 1.00 0.00 H new ATOM 0 HA ARG A 13 -8.833 9.971 7.203 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -11.405 10.540 6.755 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -10.169 11.781 6.802 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -9.982 11.515 4.258 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -11.428 10.528 4.343 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -12.699 12.383 4.343 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -11.974 12.883 5.859 1.00 0.00 H new ATOM 0 HE ARG A 13 -10.136 13.562 3.811 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -13.411 14.395 4.851 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -13.319 16.037 4.207 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -10.031 15.671 2.991 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -11.416 16.755 3.160 1.00 0.00 H new ATOM 193 N TYR A 14 -9.775 7.702 7.424 1.00 0.00 N ATOM 194 CA TYR A 14 -10.338 6.372 7.603 1.00 0.00 C ATOM 195 C TYR A 14 -11.770 6.459 8.125 1.00 0.00 C ATOM 196 O TYR A 14 -12.011 6.352 9.326 1.00 0.00 O ATOM 197 CB TYR A 14 -9.468 5.572 8.568 1.00 0.00 C ATOM 198 CG TYR A 14 -9.843 4.110 8.663 1.00 0.00 C ATOM 199 CD1 TYR A 14 -10.852 3.683 9.517 1.00 0.00 C ATOM 200 CD2 TYR A 14 -9.185 3.154 7.898 1.00 0.00 C ATOM 201 CE1 TYR A 14 -11.195 2.347 9.607 1.00 0.00 C ATOM 202 CE2 TYR A 14 -9.522 1.816 7.983 1.00 0.00 C ATOM 203 CZ TYR A 14 -10.527 1.418 8.838 1.00 0.00 C ATOM 204 OH TYR A 14 -10.866 0.087 8.924 1.00 0.00 O ATOM 0 H TYR A 14 -9.138 7.995 8.165 1.00 0.00 H new ATOM 0 HA TYR A 14 -10.360 5.866 6.638 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -8.427 5.650 8.254 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -9.536 6.020 9.560 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -11.378 4.408 10.121 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -8.397 3.462 7.226 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -11.982 2.033 10.276 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -9.000 1.086 7.382 1.00 0.00 H new ATOM 0 HH TYR A 14 -10.301 -0.434 8.316 1.00 0.00 H new ATOM 214 N ASP A 15 -12.716 6.660 7.212 1.00 0.00 N ATOM 215 CA ASP A 15 -14.125 6.764 7.580 1.00 0.00 C ATOM 216 C ASP A 15 -14.935 5.625 6.970 1.00 0.00 C ATOM 217 O ASP A 15 -14.507 4.995 6.002 1.00 0.00 O ATOM 218 CB ASP A 15 -14.694 8.109 7.126 1.00 0.00 C ATOM 219 CG ASP A 15 -16.086 8.361 7.673 1.00 0.00 C ATOM 220 OD1 ASP A 15 -16.224 8.491 8.907 1.00 0.00 O ATOM 221 OD2 ASP A 15 -17.037 8.430 6.865 1.00 0.00 O ATOM 0 H ASP A 15 -12.533 6.754 6.213 1.00 0.00 H new ATOM 0 HA ASP A 15 -14.196 6.694 8.665 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -14.029 8.910 7.449 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -14.723 8.139 6.037 1.00 0.00 H new ATOM 226 N LYS A 16 -16.105 5.367 7.543 1.00 0.00 N ATOM 227 CA LYS A 16 -16.977 4.302 7.057 1.00 0.00 C ATOM 228 C LYS A 16 -17.462 4.595 5.645 1.00 0.00 C ATOM 229 O LYS A 16 -17.725 3.684 4.860 1.00 0.00 O ATOM 230 CB LYS A 16 -18.177 4.128 7.994 1.00 0.00 C ATOM 231 CG LYS A 16 -19.165 3.056 7.552 1.00 0.00 C ATOM 232 CD LYS A 16 -20.225 3.625 6.622 1.00 0.00 C ATOM 233 CE LYS A 16 -21.485 2.773 6.622 1.00 0.00 C ATOM 234 NZ LYS A 16 -21.935 2.446 8.003 1.00 0.00 N ATOM 0 H LYS A 16 -16.472 5.880 8.344 1.00 0.00 H new ATOM 0 HA LYS A 16 -16.400 3.377 7.038 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -17.812 3.881 8.991 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -18.702 5.080 8.074 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -18.630 2.252 7.047 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -19.645 2.618 8.428 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -20.472 4.641 6.929 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -19.826 3.686 5.609 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -22.280 3.302 6.097 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -21.299 1.850 6.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -22.963 2.288 8.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -21.452 1.585 8.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -21.705 3.236 8.639 1.00 0.00 H new ATOM 248 N ASP A 17 -17.574 5.876 5.331 1.00 0.00 N ATOM 249 CA ASP A 17 -18.023 6.310 4.020 1.00 0.00 C ATOM 250 C ASP A 17 -16.864 6.309 3.034 1.00 0.00 C ATOM 251 O ASP A 17 -16.924 5.674 1.982 1.00 0.00 O ATOM 252 CB ASP A 17 -18.620 7.711 4.120 1.00 0.00 C ATOM 253 CG ASP A 17 -20.106 7.728 3.825 1.00 0.00 C ATOM 254 OD1 ASP A 17 -20.506 7.218 2.757 1.00 0.00 O ATOM 255 OD2 ASP A 17 -20.871 8.250 4.663 1.00 0.00 O ATOM 0 H ASP A 17 -17.358 6.638 5.973 1.00 0.00 H new ATOM 0 HA ASP A 17 -18.784 5.617 3.661 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -18.446 8.106 5.121 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -18.106 8.373 3.422 1.00 0.00 H new ATOM 260 N LYS A 18 -15.811 7.031 3.391 1.00 0.00 N ATOM 261 CA LYS A 18 -14.627 7.135 2.559 1.00 0.00 C ATOM 262 C LYS A 18 -13.929 5.781 2.421 1.00 0.00 C ATOM 263 O LYS A 18 -13.349 5.277 3.382 1.00 0.00 O ATOM 264 CB LYS A 18 -13.682 8.152 3.190 1.00 0.00 C ATOM 265 CG LYS A 18 -12.542 8.606 2.283 1.00 0.00 C ATOM 266 CD LYS A 18 -12.997 9.710 1.306 1.00 0.00 C ATOM 267 CE LYS A 18 -12.345 11.079 1.545 1.00 0.00 C ATOM 268 NZ LYS A 18 -12.785 12.071 0.525 1.00 0.00 N ATOM 0 H LYS A 18 -15.756 7.558 4.263 1.00 0.00 H new ATOM 0 HA LYS A 18 -14.917 7.458 1.559 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -14.259 9.026 3.492 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -13.258 7.721 4.097 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -11.717 8.976 2.892 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -12.164 7.753 1.719 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -12.777 9.390 0.288 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -14.079 9.819 1.379 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -12.603 11.439 2.541 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -11.260 10.978 1.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -12.328 12.987 0.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -12.516 11.737 -0.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -13.818 12.183 0.573 1.00 0.00 H new ATOM 282 N PRO A 19 -13.980 5.164 1.222 1.00 0.00 N ATOM 283 CA PRO A 19 -13.355 3.857 0.973 1.00 0.00 C ATOM 284 C PRO A 19 -11.840 3.918 0.838 1.00 0.00 C ATOM 285 O PRO A 19 -11.227 3.102 0.151 1.00 0.00 O ATOM 286 CB PRO A 19 -13.961 3.440 -0.353 1.00 0.00 C ATOM 287 CG PRO A 19 -14.219 4.738 -1.048 1.00 0.00 C ATOM 288 CD PRO A 19 -14.663 5.670 0.020 1.00 0.00 C ATOM 0 HA PRO A 19 -13.533 3.173 1.803 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -13.280 2.809 -0.924 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -14.880 2.871 -0.212 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -13.320 5.105 -1.542 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -14.983 4.628 -1.817 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -14.378 6.699 -0.201 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -15.746 5.658 0.139 1.00 0.00 H new ATOM 296 N VAL A 20 -11.260 4.892 1.489 1.00 0.00 N ATOM 297 CA VAL A 20 -9.823 5.103 1.465 1.00 0.00 C ATOM 298 C VAL A 20 -9.095 4.115 2.377 1.00 0.00 C ATOM 299 O VAL A 20 -8.964 4.340 3.579 1.00 0.00 O ATOM 300 CB VAL A 20 -9.489 6.544 1.892 1.00 0.00 C ATOM 301 CG1 VAL A 20 -9.924 6.798 3.325 1.00 0.00 C ATOM 302 CG2 VAL A 20 -8.007 6.831 1.715 1.00 0.00 C ATOM 0 H VAL A 20 -11.769 5.570 2.057 1.00 0.00 H new ATOM 0 HA VAL A 20 -9.483 4.937 0.443 1.00 0.00 H new ATOM 0 HB VAL A 20 -10.043 7.225 1.246 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -9.678 7.822 3.604 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -11.000 6.647 3.411 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -9.407 6.107 3.990 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -7.795 7.855 2.023 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -7.427 6.141 2.327 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -7.734 6.704 0.667 1.00 0.00 H new ATOM 312 N SER A 21 -8.617 3.021 1.793 1.00 0.00 N ATOM 313 CA SER A 21 -7.899 2.005 2.553 1.00 0.00 C ATOM 314 C SER A 21 -6.461 2.439 2.811 1.00 0.00 C ATOM 315 O SER A 21 -5.948 3.347 2.157 1.00 0.00 O ATOM 316 CB SER A 21 -7.912 0.668 1.813 1.00 0.00 C ATOM 317 OG SER A 21 -7.995 0.859 0.411 1.00 0.00 O ATOM 0 H SER A 21 -8.714 2.816 0.799 1.00 0.00 H new ATOM 0 HA SER A 21 -8.406 1.883 3.510 1.00 0.00 H new ATOM 0 HB2 SER A 21 -7.009 0.107 2.053 1.00 0.00 H new ATOM 0 HB3 SER A 21 -8.758 0.070 2.152 1.00 0.00 H new ATOM 0 HG SER A 21 -8.000 -0.012 -0.038 1.00 0.00 H new ATOM 323 N PHE A 22 -5.817 1.785 3.771 1.00 0.00 N ATOM 324 CA PHE A 22 -4.439 2.101 4.121 1.00 0.00 C ATOM 325 C PHE A 22 -3.559 0.857 4.028 1.00 0.00 C ATOM 326 O PHE A 22 -4.029 -0.262 4.228 1.00 0.00 O ATOM 327 CB PHE A 22 -4.382 2.698 5.526 1.00 0.00 C ATOM 328 CG PHE A 22 -4.828 4.134 5.575 1.00 0.00 C ATOM 329 CD1 PHE A 22 -6.111 4.492 5.184 1.00 0.00 C ATOM 330 CD2 PHE A 22 -3.964 5.128 6.000 1.00 0.00 C ATOM 331 CE1 PHE A 22 -6.519 5.813 5.216 1.00 0.00 C ATOM 332 CE2 PHE A 22 -4.364 6.449 6.030 1.00 0.00 C ATOM 333 CZ PHE A 22 -5.645 6.795 5.636 1.00 0.00 C ATOM 0 H PHE A 22 -6.229 1.031 4.321 1.00 0.00 H new ATOM 0 HA PHE A 22 -4.058 2.836 3.412 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -5.010 2.106 6.192 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -3.362 2.627 5.903 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -6.799 3.729 4.851 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -2.964 4.867 6.312 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -7.521 6.076 4.912 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -3.677 7.213 6.361 1.00 0.00 H new ATOM 0 HZ PHE A 22 -5.959 7.828 5.657 1.00 0.00 H new ATOM 343 N HIS A 23 -2.287 1.060 3.700 1.00 0.00 N ATOM 344 CA HIS A 23 -1.350 -0.053 3.554 1.00 0.00 C ATOM 345 C HIS A 23 0.035 0.301 4.089 1.00 0.00 C ATOM 346 O HIS A 23 0.653 1.260 3.644 1.00 0.00 O ATOM 347 CB HIS A 23 -1.242 -0.441 2.081 1.00 0.00 C ATOM 348 CG HIS A 23 -2.552 -0.385 1.363 1.00 0.00 C ATOM 349 ND1 HIS A 23 -3.197 -1.499 0.869 1.00 0.00 N ATOM 350 CD2 HIS A 23 -3.345 0.670 1.070 1.00 0.00 C ATOM 351 CE1 HIS A 23 -4.331 -1.130 0.300 1.00 0.00 C ATOM 352 NE2 HIS A 23 -4.444 0.181 0.409 1.00 0.00 N ATOM 0 H HIS A 23 -1.881 1.980 3.530 1.00 0.00 H new ATOM 0 HA HIS A 23 -1.732 -0.891 4.137 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -0.535 0.225 1.587 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -0.836 -1.450 2.006 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -3.150 1.705 1.311 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -5.044 -1.789 -0.174 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -5.222 0.740 0.059 1.00 0.00 H new ATOM 361 N LYS A 24 0.521 -0.493 5.033 1.00 0.00 N ATOM 362 CA LYS A 24 1.843 -0.267 5.618 1.00 0.00 C ATOM 363 C LYS A 24 2.937 -0.621 4.614 1.00 0.00 C ATOM 364 O LYS A 24 2.697 -1.376 3.673 1.00 0.00 O ATOM 365 CB LYS A 24 2.011 -1.100 6.890 1.00 0.00 C ATOM 366 CG LYS A 24 1.326 -0.496 8.105 1.00 0.00 C ATOM 367 CD LYS A 24 2.258 -0.455 9.306 1.00 0.00 C ATOM 368 CE LYS A 24 1.905 0.685 10.249 1.00 0.00 C ATOM 369 NZ LYS A 24 1.674 0.204 11.640 1.00 0.00 N ATOM 0 H LYS A 24 0.024 -1.299 5.412 1.00 0.00 H new ATOM 0 HA LYS A 24 1.930 0.789 5.874 1.00 0.00 H new ATOM 0 HB2 LYS A 24 1.611 -2.099 6.716 1.00 0.00 H new ATOM 0 HB3 LYS A 24 3.074 -1.215 7.102 1.00 0.00 H new ATOM 0 HG2 LYS A 24 0.989 0.514 7.870 1.00 0.00 H new ATOM 0 HG3 LYS A 24 0.439 -1.079 8.351 1.00 0.00 H new ATOM 0 HD2 LYS A 24 2.203 -1.402 9.843 1.00 0.00 H new ATOM 0 HD3 LYS A 24 3.287 -0.341 8.965 1.00 0.00 H new ATOM 0 HE2 LYS A 24 2.710 1.420 10.248 1.00 0.00 H new ATOM 0 HE3 LYS A 24 1.011 1.192 9.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 1.436 1.011 12.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 0.889 -0.478 11.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 2.536 -0.257 11.995 1.00 0.00 H new ATOM 383 N PHE A 25 4.141 -0.080 4.813 1.00 0.00 N ATOM 384 CA PHE A 25 5.244 -0.368 3.904 1.00 0.00 C ATOM 385 C PHE A 25 5.510 -1.868 3.871 1.00 0.00 C ATOM 386 O PHE A 25 5.692 -2.502 4.910 1.00 0.00 O ATOM 387 CB PHE A 25 6.502 0.423 4.277 1.00 0.00 C ATOM 388 CG PHE A 25 6.803 1.513 3.281 1.00 0.00 C ATOM 389 CD1 PHE A 25 6.236 2.772 3.416 1.00 0.00 C ATOM 390 CD2 PHE A 25 7.632 1.272 2.194 1.00 0.00 C ATOM 391 CE1 PHE A 25 6.487 3.768 2.487 1.00 0.00 C ATOM 392 CE2 PHE A 25 7.891 2.266 1.265 1.00 0.00 C ATOM 393 CZ PHE A 25 7.318 3.513 1.410 1.00 0.00 C ATOM 0 H PHE A 25 4.372 0.549 5.582 1.00 0.00 H new ATOM 0 HA PHE A 25 4.960 -0.047 2.902 1.00 0.00 H new ATOM 0 HB2 PHE A 25 6.373 0.862 5.266 1.00 0.00 H new ATOM 0 HB3 PHE A 25 7.352 -0.257 4.338 1.00 0.00 H new ATOM 0 HD1 PHE A 25 5.590 2.978 4.257 1.00 0.00 H new ATOM 0 HD2 PHE A 25 8.081 0.297 2.071 1.00 0.00 H new ATOM 0 HE1 PHE A 25 6.035 4.742 2.603 1.00 0.00 H new ATOM 0 HE2 PHE A 25 8.542 2.065 0.427 1.00 0.00 H new ATOM 0 HZ PHE A 25 7.518 4.288 0.685 1.00 0.00 H new ATOM 403 N PRO A 26 5.486 -2.462 2.666 1.00 0.00 N ATOM 404 CA PRO A 26 5.670 -3.898 2.481 1.00 0.00 C ATOM 405 C PRO A 26 7.128 -4.315 2.319 1.00 0.00 C ATOM 406 O PRO A 26 7.958 -3.544 1.835 1.00 0.00 O ATOM 407 CB PRO A 26 4.893 -4.125 1.191 1.00 0.00 C ATOM 408 CG PRO A 26 5.204 -2.916 0.387 1.00 0.00 C ATOM 409 CD PRO A 26 5.227 -1.784 1.377 1.00 0.00 C ATOM 0 HA PRO A 26 5.338 -4.481 3.340 1.00 0.00 H new ATOM 0 HB2 PRO A 26 5.211 -5.037 0.685 1.00 0.00 H new ATOM 0 HB3 PRO A 26 3.823 -4.220 1.377 1.00 0.00 H new ATOM 0 HG2 PRO A 26 6.164 -3.016 -0.120 1.00 0.00 H new ATOM 0 HG3 PRO A 26 4.451 -2.751 -0.384 1.00 0.00 H new ATOM 0 HD2 PRO A 26 6.006 -1.059 1.141 1.00 0.00 H new ATOM 0 HD3 PRO A 26 4.281 -1.243 1.391 1.00 0.00 H new ATOM 417 N LEU A 27 7.426 -5.547 2.724 1.00 0.00 N ATOM 418 CA LEU A 27 8.770 -6.085 2.627 1.00 0.00 C ATOM 419 C LEU A 27 8.891 -7.038 1.441 1.00 0.00 C ATOM 420 O LEU A 27 9.981 -7.243 0.907 1.00 0.00 O ATOM 421 CB LEU A 27 9.152 -6.810 3.923 1.00 0.00 C ATOM 422 CG LEU A 27 9.129 -5.940 5.181 1.00 0.00 C ATOM 423 CD1 LEU A 27 8.577 -6.724 6.362 1.00 0.00 C ATOM 424 CD2 LEU A 27 10.524 -5.417 5.490 1.00 0.00 C ATOM 0 H LEU A 27 6.745 -6.192 3.125 1.00 0.00 H new ATOM 0 HA LEU A 27 9.456 -5.252 2.472 1.00 0.00 H new ATOM 0 HB2 LEU A 27 8.471 -7.649 4.067 1.00 0.00 H new ATOM 0 HB3 LEU A 27 10.152 -7.228 3.807 1.00 0.00 H new ATOM 0 HG LEU A 27 8.474 -5.088 5.000 1.00 0.00 H new ATOM 0 HD11 LEU A 27 8.568 -6.089 7.248 1.00 0.00 H new ATOM 0 HD12 LEU A 27 7.561 -7.050 6.139 1.00 0.00 H new ATOM 0 HD13 LEU A 27 9.206 -7.595 6.546 1.00 0.00 H new ATOM 0 HD21 LEU A 27 10.491 -4.800 6.388 1.00 0.00 H new ATOM 0 HD22 LEU A 27 11.200 -6.257 5.652 1.00 0.00 H new ATOM 0 HD23 LEU A 27 10.882 -4.819 4.652 1.00 0.00 H new ATOM 436 N THR A 28 7.762 -7.609 1.022 1.00 0.00 N ATOM 437 CA THR A 28 7.748 -8.528 -0.110 1.00 0.00 C ATOM 438 C THR A 28 8.147 -7.794 -1.382 1.00 0.00 C ATOM 439 O THR A 28 8.716 -8.380 -2.302 1.00 0.00 O ATOM 440 CB THR A 28 6.361 -9.152 -0.274 1.00 0.00 C ATOM 441 OG1 THR A 28 5.349 -8.171 -0.128 1.00 0.00 O ATOM 442 CG2 THR A 28 6.077 -10.254 0.724 1.00 0.00 C ATOM 0 H THR A 28 6.849 -7.451 1.449 1.00 0.00 H new ATOM 0 HA THR A 28 8.467 -9.326 0.079 1.00 0.00 H new ATOM 0 HB THR A 28 6.355 -9.581 -1.276 1.00 0.00 H new ATOM 0 HG1 THR A 28 4.470 -8.589 -0.238 1.00 0.00 H new ATOM 0 HG21 THR A 28 5.077 -10.652 0.551 1.00 0.00 H new ATOM 0 HG22 THR A 28 6.811 -11.051 0.605 1.00 0.00 H new ATOM 0 HG23 THR A 28 6.138 -9.853 1.736 1.00 0.00 H new ATOM 450 N ARG A 29 7.834 -6.504 -1.417 1.00 0.00 N ATOM 451 CA ARG A 29 8.139 -5.654 -2.547 1.00 0.00 C ATOM 452 C ARG A 29 9.261 -4.681 -2.175 1.00 0.00 C ATOM 453 O ARG A 29 8.998 -3.640 -1.583 1.00 0.00 O ATOM 454 CB ARG A 29 6.865 -4.906 -2.928 1.00 0.00 C ATOM 455 CG ARG A 29 7.038 -3.967 -4.099 1.00 0.00 C ATOM 456 CD ARG A 29 6.838 -2.532 -3.663 1.00 0.00 C ATOM 457 NE ARG A 29 5.488 -2.053 -3.976 1.00 0.00 N ATOM 458 CZ ARG A 29 5.204 -0.946 -4.679 1.00 0.00 C ATOM 459 NH1 ARG A 29 6.158 -0.110 -5.096 1.00 0.00 N ATOM 460 NH2 ARG A 29 3.942 -0.665 -4.951 1.00 0.00 N ATOM 0 H ARG A 29 7.359 -6.022 -0.654 1.00 0.00 H new ATOM 0 HA ARG A 29 8.482 -6.244 -3.397 1.00 0.00 H new ATOM 0 HB2 ARG A 29 6.087 -5.631 -3.167 1.00 0.00 H new ATOM 0 HB3 ARG A 29 6.517 -4.337 -2.066 1.00 0.00 H new ATOM 0 HG2 ARG A 29 8.034 -4.088 -4.525 1.00 0.00 H new ATOM 0 HG3 ARG A 29 6.323 -4.218 -4.882 1.00 0.00 H new ATOM 0 HD2 ARG A 29 7.014 -2.450 -2.590 1.00 0.00 H new ATOM 0 HD3 ARG A 29 7.573 -1.896 -4.156 1.00 0.00 H new ATOM 0 HE ARG A 29 4.702 -2.605 -3.632 1.00 0.00 H new ATOM 0 HH11 ARG A 29 7.136 -0.305 -4.882 1.00 0.00 H new ATOM 0 HH12 ARG A 29 5.909 0.723 -5.629 1.00 0.00 H new ATOM 0 HH21 ARG A 29 3.200 -1.286 -4.628 1.00 0.00 H new ATOM 0 HH22 ARG A 29 3.710 0.173 -5.484 1.00 0.00 H new ATOM 474 N PRO A 30 10.534 -5.038 -2.476 1.00 0.00 N ATOM 475 CA PRO A 30 11.706 -4.221 -2.140 1.00 0.00 C ATOM 476 C PRO A 30 12.176 -3.268 -3.246 1.00 0.00 C ATOM 477 O PRO A 30 12.025 -2.056 -3.122 1.00 0.00 O ATOM 478 CB PRO A 30 12.752 -5.278 -1.862 1.00 0.00 C ATOM 479 CG PRO A 30 12.404 -6.432 -2.755 1.00 0.00 C ATOM 480 CD PRO A 30 10.942 -6.291 -3.132 1.00 0.00 C ATOM 0 HA PRO A 30 11.492 -3.540 -1.317 1.00 0.00 H new ATOM 0 HB2 PRO A 30 13.753 -4.905 -2.076 1.00 0.00 H new ATOM 0 HB3 PRO A 30 12.740 -5.576 -0.814 1.00 0.00 H new ATOM 0 HG2 PRO A 30 13.032 -6.430 -3.646 1.00 0.00 H new ATOM 0 HG3 PRO A 30 12.579 -7.379 -2.244 1.00 0.00 H new ATOM 0 HD2 PRO A 30 10.810 -6.239 -4.213 1.00 0.00 H new ATOM 0 HD3 PRO A 30 10.354 -7.138 -2.779 1.00 0.00 H new ATOM 488 N SER A 31 12.750 -3.796 -4.328 1.00 0.00 N ATOM 489 CA SER A 31 13.221 -2.939 -5.418 1.00 0.00 C ATOM 490 C SER A 31 12.099 -2.022 -5.856 1.00 0.00 C ATOM 491 O SER A 31 12.244 -0.800 -5.904 1.00 0.00 O ATOM 492 CB SER A 31 13.713 -3.784 -6.596 1.00 0.00 C ATOM 493 OG SER A 31 15.123 -3.923 -6.569 1.00 0.00 O ATOM 0 H SER A 31 12.899 -4.795 -4.473 1.00 0.00 H new ATOM 0 HA SER A 31 14.059 -2.339 -5.063 1.00 0.00 H new ATOM 0 HB2 SER A 31 13.246 -4.769 -6.562 1.00 0.00 H new ATOM 0 HB3 SER A 31 13.408 -3.319 -7.534 1.00 0.00 H new ATOM 0 HG SER A 31 15.413 -4.468 -7.330 1.00 0.00 H new ATOM 499 N LEU A 32 10.964 -2.633 -6.111 1.00 0.00 N ATOM 500 CA LEU A 32 9.767 -1.914 -6.488 1.00 0.00 C ATOM 501 C LEU A 32 9.421 -0.928 -5.378 1.00 0.00 C ATOM 502 O LEU A 32 8.927 0.170 -5.622 1.00 0.00 O ATOM 503 CB LEU A 32 8.641 -2.912 -6.668 1.00 0.00 C ATOM 504 CG LEU A 32 7.261 -2.315 -6.937 1.00 0.00 C ATOM 505 CD1 LEU A 32 7.358 -1.042 -7.763 1.00 0.00 C ATOM 506 CD2 LEU A 32 6.390 -3.328 -7.644 1.00 0.00 C ATOM 0 H LEU A 32 10.844 -3.645 -6.063 1.00 0.00 H new ATOM 0 HA LEU A 32 9.920 -1.369 -7.420 1.00 0.00 H new ATOM 0 HB2 LEU A 32 8.897 -3.575 -7.495 1.00 0.00 H new ATOM 0 HB3 LEU A 32 8.581 -3.529 -5.772 1.00 0.00 H new ATOM 0 HG LEU A 32 6.812 -2.058 -5.978 1.00 0.00 H new ATOM 0 HD11 LEU A 32 6.358 -0.644 -7.936 1.00 0.00 H new ATOM 0 HD12 LEU A 32 7.955 -0.305 -7.226 1.00 0.00 H new ATOM 0 HD13 LEU A 32 7.831 -1.264 -8.720 1.00 0.00 H new ATOM 0 HD21 LEU A 32 5.408 -2.895 -7.832 1.00 0.00 H new ATOM 0 HD22 LEU A 32 6.851 -3.606 -8.591 1.00 0.00 H new ATOM 0 HD23 LEU A 32 6.282 -4.214 -7.019 1.00 0.00 H new ATOM 518 N CYS A 33 9.699 -1.349 -4.140 1.00 0.00 N ATOM 519 CA CYS A 33 9.437 -0.530 -2.959 1.00 0.00 C ATOM 520 C CYS A 33 10.035 0.858 -3.114 1.00 0.00 C ATOM 521 O CYS A 33 9.491 1.840 -2.614 1.00 0.00 O ATOM 522 CB CYS A 33 10.029 -1.190 -1.722 1.00 0.00 C ATOM 523 SG CYS A 33 9.185 -0.767 -0.182 1.00 0.00 S ATOM 0 H CYS A 33 10.109 -2.260 -3.932 1.00 0.00 H new ATOM 0 HA CYS A 33 8.356 -0.439 -2.849 1.00 0.00 H new ATOM 0 HB2 CYS A 33 10.002 -2.272 -1.853 1.00 0.00 H new ATOM 0 HB3 CYS A 33 11.078 -0.905 -1.639 1.00 0.00 H new ATOM 0 HG CYS A 33 8.808 -1.856 0.419 1.00 0.00 H new ATOM 529 N LYS A 34 11.152 0.938 -3.826 1.00 0.00 N ATOM 530 CA LYS A 34 11.803 2.210 -4.062 1.00 0.00 C ATOM 531 C LYS A 34 10.770 3.173 -4.620 1.00 0.00 C ATOM 532 O LYS A 34 10.748 4.357 -4.288 1.00 0.00 O ATOM 533 CB LYS A 34 12.980 2.028 -5.042 1.00 0.00 C ATOM 534 CG LYS A 34 13.488 3.326 -5.657 1.00 0.00 C ATOM 535 CD LYS A 34 14.427 3.064 -6.828 1.00 0.00 C ATOM 536 CE LYS A 34 13.770 2.233 -7.925 1.00 0.00 C ATOM 537 NZ LYS A 34 13.653 2.993 -9.201 1.00 0.00 N ATOM 0 H LYS A 34 11.621 0.136 -4.247 1.00 0.00 H new ATOM 0 HA LYS A 34 12.209 2.611 -3.133 1.00 0.00 H new ATOM 0 HB2 LYS A 34 13.802 1.541 -4.518 1.00 0.00 H new ATOM 0 HB3 LYS A 34 12.671 1.356 -5.843 1.00 0.00 H new ATOM 0 HG2 LYS A 34 12.642 3.924 -5.996 1.00 0.00 H new ATOM 0 HG3 LYS A 34 14.008 3.910 -4.897 1.00 0.00 H new ATOM 0 HD2 LYS A 34 14.757 4.015 -7.245 1.00 0.00 H new ATOM 0 HD3 LYS A 34 15.317 2.547 -6.468 1.00 0.00 H new ATOM 0 HE2 LYS A 34 14.353 1.328 -8.094 1.00 0.00 H new ATOM 0 HE3 LYS A 34 12.779 1.918 -7.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 13.202 2.394 -9.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 13.075 3.844 -9.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 14.600 3.272 -9.527 1.00 0.00 H new ATOM 551 N GLU A 35 9.890 2.625 -5.446 1.00 0.00 N ATOM 552 CA GLU A 35 8.824 3.382 -6.046 1.00 0.00 C ATOM 553 C GLU A 35 7.964 4.010 -4.968 1.00 0.00 C ATOM 554 O GLU A 35 7.545 5.165 -5.068 1.00 0.00 O ATOM 555 CB GLU A 35 7.970 2.470 -6.925 1.00 0.00 C ATOM 556 CG GLU A 35 8.774 1.788 -7.999 1.00 0.00 C ATOM 557 CD GLU A 35 7.949 1.430 -9.219 1.00 0.00 C ATOM 558 OE1 GLU A 35 6.964 2.145 -9.498 1.00 0.00 O ATOM 559 OE2 GLU A 35 8.291 0.442 -9.901 1.00 0.00 O ATOM 0 H GLU A 35 9.903 1.641 -5.713 1.00 0.00 H new ATOM 0 HA GLU A 35 9.254 4.172 -6.662 1.00 0.00 H new ATOM 0 HB2 GLU A 35 7.489 1.716 -6.302 1.00 0.00 H new ATOM 0 HB3 GLU A 35 7.175 3.056 -7.387 1.00 0.00 H new ATOM 0 HG2 GLU A 35 9.594 2.440 -8.300 1.00 0.00 H new ATOM 0 HG3 GLU A 35 9.221 0.882 -7.590 1.00 0.00 H new ATOM 566 N TRP A 36 7.734 3.233 -3.922 1.00 0.00 N ATOM 567 CA TRP A 36 6.939 3.694 -2.791 1.00 0.00 C ATOM 568 C TRP A 36 7.569 4.928 -2.177 1.00 0.00 C ATOM 569 O TRP A 36 6.869 5.809 -1.675 1.00 0.00 O ATOM 570 CB TRP A 36 6.750 2.595 -1.770 1.00 0.00 C ATOM 571 CG TRP A 36 5.459 1.856 -1.921 1.00 0.00 C ATOM 572 CD1 TRP A 36 4.850 1.457 -3.071 1.00 0.00 C ATOM 573 CD2 TRP A 36 4.613 1.447 -0.856 1.00 0.00 C ATOM 574 NE1 TRP A 36 3.675 0.798 -2.775 1.00 0.00 N ATOM 575 CE2 TRP A 36 3.513 0.781 -1.409 1.00 0.00 C ATOM 576 CE3 TRP A 36 4.689 1.575 0.518 1.00 0.00 C ATOM 577 CZ2 TRP A 36 2.500 0.247 -0.601 1.00 0.00 C ATOM 578 CZ3 TRP A 36 3.687 1.052 1.288 1.00 0.00 C ATOM 579 CH2 TRP A 36 2.620 0.399 0.736 1.00 0.00 C ATOM 0 H TRP A 36 8.086 2.280 -3.831 1.00 0.00 H new ATOM 0 HA TRP A 36 5.947 3.966 -3.152 1.00 0.00 H new ATOM 0 HB2 TRP A 36 7.576 1.888 -1.852 1.00 0.00 H new ATOM 0 HB3 TRP A 36 6.798 3.027 -0.770 1.00 0.00 H new ATOM 0 HD1 TRP A 36 5.230 1.631 -4.067 1.00 0.00 H new ATOM 0 HE1 TRP A 36 3.033 0.391 -3.455 1.00 0.00 H new ATOM 0 HE3 TRP A 36 5.526 2.080 0.976 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 1.654 -0.268 -1.032 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 3.740 1.158 2.362 1.00 0.00 H new ATOM 0 HH2 TRP A 36 1.856 -0.004 1.384 1.00 0.00 H new ATOM 590 N GLU A 37 8.891 5.021 -2.262 1.00 0.00 N ATOM 591 CA GLU A 37 9.591 6.188 -1.748 1.00 0.00 C ATOM 592 C GLU A 37 9.048 7.441 -2.410 1.00 0.00 C ATOM 593 O GLU A 37 8.887 8.483 -1.775 1.00 0.00 O ATOM 594 CB GLU A 37 11.081 6.067 -2.028 1.00 0.00 C ATOM 595 CG GLU A 37 11.701 4.812 -1.444 1.00 0.00 C ATOM 596 CD GLU A 37 13.009 5.084 -0.727 1.00 0.00 C ATOM 597 OE1 GLU A 37 13.666 6.095 -1.054 1.00 0.00 O ATOM 598 OE2 GLU A 37 13.378 4.285 0.159 1.00 0.00 O ATOM 0 H GLU A 37 9.493 4.310 -2.678 1.00 0.00 H new ATOM 0 HA GLU A 37 9.435 6.250 -0.671 1.00 0.00 H new ATOM 0 HB2 GLU A 37 11.243 6.076 -3.106 1.00 0.00 H new ATOM 0 HB3 GLU A 37 11.592 6.940 -1.621 1.00 0.00 H new ATOM 0 HG2 GLU A 37 10.998 4.355 -0.748 1.00 0.00 H new ATOM 0 HG3 GLU A 37 11.873 4.091 -2.243 1.00 0.00 H new ATOM 605 N ALA A 38 8.747 7.312 -3.692 1.00 0.00 N ATOM 606 CA ALA A 38 8.197 8.418 -4.460 1.00 0.00 C ATOM 607 C ALA A 38 6.864 8.840 -3.872 1.00 0.00 C ATOM 608 O ALA A 38 6.509 10.017 -3.875 1.00 0.00 O ATOM 609 CB ALA A 38 8.043 8.034 -5.924 1.00 0.00 C ATOM 0 H ALA A 38 8.874 6.451 -4.224 1.00 0.00 H new ATOM 0 HA ALA A 38 8.887 9.260 -4.407 1.00 0.00 H new ATOM 0 HB1 ALA A 38 7.630 8.876 -6.480 1.00 0.00 H new ATOM 0 HB2 ALA A 38 9.017 7.771 -6.336 1.00 0.00 H new ATOM 0 HB3 ALA A 38 7.371 7.180 -6.007 1.00 0.00 H new ATOM 615 N ALA A 39 6.147 7.861 -3.337 1.00 0.00 N ATOM 616 CA ALA A 39 4.858 8.107 -2.706 1.00 0.00 C ATOM 617 C ALA A 39 4.994 9.176 -1.631 1.00 0.00 C ATOM 618 O ALA A 39 4.034 9.874 -1.302 1.00 0.00 O ATOM 619 CB ALA A 39 4.319 6.821 -2.097 1.00 0.00 C ATOM 0 H ALA A 39 6.439 6.884 -3.328 1.00 0.00 H new ATOM 0 HA ALA A 39 4.159 8.458 -3.465 1.00 0.00 H new ATOM 0 HB1 ALA A 39 3.355 7.017 -1.628 1.00 0.00 H new ATOM 0 HB2 ALA A 39 4.197 6.072 -2.879 1.00 0.00 H new ATOM 0 HB3 ALA A 39 5.019 6.452 -1.347 1.00 0.00 H new ATOM 625 N VAL A 40 6.197 9.282 -1.079 1.00 0.00 N ATOM 626 CA VAL A 40 6.481 10.242 -0.029 1.00 0.00 C ATOM 627 C VAL A 40 6.994 11.565 -0.603 1.00 0.00 C ATOM 628 O VAL A 40 6.381 12.614 -0.405 1.00 0.00 O ATOM 629 CB VAL A 40 7.510 9.651 0.963 1.00 0.00 C ATOM 630 CG1 VAL A 40 7.939 10.667 2.013 1.00 0.00 C ATOM 631 CG2 VAL A 40 6.942 8.403 1.624 1.00 0.00 C ATOM 0 H VAL A 40 6.996 8.707 -1.347 1.00 0.00 H new ATOM 0 HA VAL A 40 5.551 10.450 0.500 1.00 0.00 H new ATOM 0 HB VAL A 40 8.400 9.381 0.395 1.00 0.00 H new ATOM 0 HG11 VAL A 40 8.662 10.209 2.688 1.00 0.00 H new ATOM 0 HG12 VAL A 40 8.395 11.527 1.522 1.00 0.00 H new ATOM 0 HG13 VAL A 40 7.068 10.993 2.581 1.00 0.00 H new ATOM 0 HG21 VAL A 40 7.674 7.995 2.320 1.00 0.00 H new ATOM 0 HG22 VAL A 40 6.031 8.660 2.165 1.00 0.00 H new ATOM 0 HG23 VAL A 40 6.713 7.659 0.861 1.00 0.00 H new ATOM 641 N ARG A 41 8.118 11.506 -1.315 1.00 0.00 N ATOM 642 CA ARG A 41 8.716 12.697 -1.927 1.00 0.00 C ATOM 643 C ARG A 41 9.246 13.675 -0.871 1.00 0.00 C ATOM 644 O ARG A 41 9.664 14.785 -1.200 1.00 0.00 O ATOM 645 CB ARG A 41 7.690 13.402 -2.834 1.00 0.00 C ATOM 646 CG ARG A 41 8.198 14.692 -3.469 1.00 0.00 C ATOM 647 CD ARG A 41 7.616 15.919 -2.781 1.00 0.00 C ATOM 648 NE ARG A 41 7.292 16.976 -3.736 1.00 0.00 N ATOM 649 CZ ARG A 41 6.365 16.860 -4.684 1.00 0.00 C ATOM 650 NH1 ARG A 41 5.663 15.739 -4.803 1.00 0.00 N ATOM 651 NH2 ARG A 41 6.139 17.867 -5.515 1.00 0.00 N ATOM 0 H ARG A 41 8.636 10.644 -1.484 1.00 0.00 H new ATOM 0 HA ARG A 41 9.563 12.368 -2.528 1.00 0.00 H new ATOM 0 HB2 ARG A 41 7.389 12.715 -3.625 1.00 0.00 H new ATOM 0 HB3 ARG A 41 6.798 13.625 -2.249 1.00 0.00 H new ATOM 0 HG2 ARG A 41 9.286 14.723 -3.412 1.00 0.00 H new ATOM 0 HG3 ARG A 41 7.934 14.707 -4.526 1.00 0.00 H new ATOM 0 HD2 ARG A 41 6.717 15.636 -2.234 1.00 0.00 H new ATOM 0 HD3 ARG A 41 8.329 16.297 -2.049 1.00 0.00 H new ATOM 0 HE ARG A 41 7.806 17.854 -3.673 1.00 0.00 H new ATOM 0 HH11 ARG A 41 5.833 14.961 -4.166 1.00 0.00 H new ATOM 0 HH12 ARG A 41 4.954 15.656 -5.532 1.00 0.00 H new ATOM 0 HH21 ARG A 41 6.675 18.730 -5.428 1.00 0.00 H new ATOM 0 HH22 ARG A 41 5.429 17.779 -6.242 1.00 0.00 H new ATOM 665 N ARG A 42 9.233 13.262 0.390 1.00 0.00 N ATOM 666 CA ARG A 42 9.716 14.102 1.478 1.00 0.00 C ATOM 667 C ARG A 42 10.969 13.489 2.105 1.00 0.00 C ATOM 668 O ARG A 42 11.718 12.780 1.432 1.00 0.00 O ATOM 669 CB ARG A 42 8.615 14.263 2.527 1.00 0.00 C ATOM 670 CG ARG A 42 8.581 15.641 3.175 1.00 0.00 C ATOM 671 CD ARG A 42 7.959 16.680 2.256 1.00 0.00 C ATOM 672 NE ARG A 42 8.954 17.324 1.402 1.00 0.00 N ATOM 673 CZ ARG A 42 9.928 18.110 1.858 1.00 0.00 C ATOM 674 NH1 ARG A 42 10.042 18.352 3.157 1.00 0.00 N ATOM 675 NH2 ARG A 42 10.791 18.655 1.011 1.00 0.00 N ATOM 0 H ARG A 42 8.892 12.347 0.685 1.00 0.00 H new ATOM 0 HA ARG A 42 9.978 15.084 1.085 1.00 0.00 H new ATOM 0 HB2 ARG A 42 7.650 14.067 2.060 1.00 0.00 H new ATOM 0 HB3 ARG A 42 8.752 13.510 3.303 1.00 0.00 H new ATOM 0 HG2 ARG A 42 8.014 15.592 4.105 1.00 0.00 H new ATOM 0 HG3 ARG A 42 9.595 15.946 3.435 1.00 0.00 H new ATOM 0 HD2 ARG A 42 7.200 16.205 1.634 1.00 0.00 H new ATOM 0 HD3 ARG A 42 7.452 17.436 2.855 1.00 0.00 H new ATOM 0 HE ARG A 42 8.900 17.162 0.396 1.00 0.00 H new ATOM 0 HH11 ARG A 42 9.382 17.935 3.813 1.00 0.00 H new ATOM 0 HH12 ARG A 42 10.790 18.955 3.500 1.00 0.00 H new ATOM 0 HH21 ARG A 42 10.709 18.472 0.011 1.00 0.00 H new ATOM 0 HH22 ARG A 42 11.537 19.257 1.360 1.00 0.00 H new ATOM 689 N LYS A 43 11.195 13.754 3.391 1.00 0.00 N ATOM 690 CA LYS A 43 12.357 13.212 4.086 1.00 0.00 C ATOM 691 C LYS A 43 12.414 11.694 3.943 1.00 0.00 C ATOM 692 O LYS A 43 11.585 11.096 3.257 1.00 0.00 O ATOM 693 CB LYS A 43 12.316 13.597 5.566 1.00 0.00 C ATOM 694 CG LYS A 43 12.183 15.092 5.802 1.00 0.00 C ATOM 695 CD LYS A 43 13.528 15.729 6.117 1.00 0.00 C ATOM 696 CE LYS A 43 13.628 17.132 5.540 1.00 0.00 C ATOM 697 NZ LYS A 43 14.241 17.134 4.183 1.00 0.00 N ATOM 0 H LYS A 43 10.591 14.338 3.969 1.00 0.00 H new ATOM 0 HA LYS A 43 13.253 13.636 3.633 1.00 0.00 H new ATOM 0 HB2 LYS A 43 11.479 13.087 6.043 1.00 0.00 H new ATOM 0 HB3 LYS A 43 13.225 13.240 6.051 1.00 0.00 H new ATOM 0 HG2 LYS A 43 11.754 15.564 4.918 1.00 0.00 H new ATOM 0 HG3 LYS A 43 11.493 15.271 6.626 1.00 0.00 H new ATOM 0 HD2 LYS A 43 13.670 15.768 7.197 1.00 0.00 H new ATOM 0 HD3 LYS A 43 14.329 15.110 5.712 1.00 0.00 H new ATOM 0 HE2 LYS A 43 12.633 17.575 5.489 1.00 0.00 H new ATOM 0 HE3 LYS A 43 14.222 17.757 6.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 14.291 18.110 3.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 15.200 16.735 4.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 13.661 16.559 3.539 1.00 0.00 H new ATOM 711 N ASN A 44 13.395 11.076 4.590 1.00 0.00 N ATOM 712 CA ASN A 44 13.556 9.629 4.528 1.00 0.00 C ATOM 713 C ASN A 44 12.416 8.916 5.258 1.00 0.00 C ATOM 714 O ASN A 44 12.631 8.313 6.308 1.00 0.00 O ATOM 715 CB ASN A 44 14.899 9.218 5.132 1.00 0.00 C ATOM 716 CG ASN A 44 16.048 10.056 4.607 1.00 0.00 C ATOM 717 OD1 ASN A 44 15.875 10.871 3.700 1.00 0.00 O ATOM 718 ND2 ASN A 44 17.232 9.861 5.176 1.00 0.00 N ATOM 0 H ASN A 44 14.090 11.554 5.163 1.00 0.00 H new ATOM 0 HA ASN A 44 13.530 9.333 3.479 1.00 0.00 H new ATOM 0 HB2 ASN A 44 14.850 9.311 6.217 1.00 0.00 H new ATOM 0 HB3 ASN A 44 15.088 8.168 4.911 1.00 0.00 H new ATOM 0 HD21 ASN A 44 18.042 10.397 4.864 1.00 0.00 H new ATOM 0 HD22 ASN A 44 17.331 9.175 5.925 1.00 0.00 H new ATOM 725 N PHE A 45 11.206 8.994 4.685 1.00 0.00 N ATOM 726 CA PHE A 45 10.003 8.363 5.252 1.00 0.00 C ATOM 727 C PHE A 45 10.335 7.405 6.398 1.00 0.00 C ATOM 728 O PHE A 45 10.519 6.208 6.188 1.00 0.00 O ATOM 729 CB PHE A 45 9.257 7.607 4.147 1.00 0.00 C ATOM 730 CG PHE A 45 10.078 6.487 3.551 1.00 0.00 C ATOM 731 CD1 PHE A 45 11.172 6.787 2.753 1.00 0.00 C ATOM 732 CD2 PHE A 45 9.776 5.146 3.785 1.00 0.00 C ATOM 733 CE1 PHE A 45 11.946 5.784 2.201 1.00 0.00 C ATOM 734 CE2 PHE A 45 10.549 4.142 3.233 1.00 0.00 C ATOM 735 CZ PHE A 45 11.634 4.461 2.441 1.00 0.00 C ATOM 0 H PHE A 45 11.033 9.497 3.815 1.00 0.00 H new ATOM 0 HA PHE A 45 9.375 9.155 5.661 1.00 0.00 H new ATOM 0 HB2 PHE A 45 8.332 7.198 4.553 1.00 0.00 H new ATOM 0 HB3 PHE A 45 8.977 8.306 3.359 1.00 0.00 H new ATOM 0 HD1 PHE A 45 11.423 7.820 2.560 1.00 0.00 H new ATOM 0 HD2 PHE A 45 8.929 4.889 4.404 1.00 0.00 H new ATOM 0 HE1 PHE A 45 12.795 6.035 1.582 1.00 0.00 H new ATOM 0 HE2 PHE A 45 10.304 3.107 3.421 1.00 0.00 H new ATOM 0 HZ PHE A 45 12.238 3.676 2.010 1.00 0.00 H new ATOM 745 N LYS A 46 10.416 7.946 7.609 1.00 0.00 N ATOM 746 CA LYS A 46 10.735 7.144 8.786 1.00 0.00 C ATOM 747 C LYS A 46 9.714 6.021 8.983 1.00 0.00 C ATOM 748 O LYS A 46 8.568 6.272 9.357 1.00 0.00 O ATOM 749 CB LYS A 46 10.783 8.036 10.032 1.00 0.00 C ATOM 750 CG LYS A 46 11.719 7.534 11.124 1.00 0.00 C ATOM 751 CD LYS A 46 13.127 8.089 10.958 1.00 0.00 C ATOM 752 CE LYS A 46 13.703 7.770 9.588 1.00 0.00 C ATOM 753 NZ LYS A 46 13.884 6.306 9.385 1.00 0.00 N ATOM 0 H LYS A 46 10.265 8.936 7.802 1.00 0.00 H new ATOM 0 HA LYS A 46 11.713 6.689 8.631 1.00 0.00 H new ATOM 0 HB2 LYS A 46 11.093 9.038 9.736 1.00 0.00 H new ATOM 0 HB3 LYS A 46 9.777 8.122 10.443 1.00 0.00 H new ATOM 0 HG2 LYS A 46 11.327 7.822 12.100 1.00 0.00 H new ATOM 0 HG3 LYS A 46 11.752 6.445 11.102 1.00 0.00 H new ATOM 0 HD2 LYS A 46 13.111 9.169 11.103 1.00 0.00 H new ATOM 0 HD3 LYS A 46 13.775 7.673 11.730 1.00 0.00 H new ATOM 0 HE2 LYS A 46 13.042 8.164 8.816 1.00 0.00 H new ATOM 0 HE3 LYS A 46 14.663 8.273 9.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 13.613 6.054 8.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 14.881 6.054 9.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 13.285 5.786 10.057 1.00 0.00 H new ATOM 767 N PRO A 47 10.115 4.761 8.717 1.00 0.00 N ATOM 768 CA PRO A 47 9.238 3.580 8.847 1.00 0.00 C ATOM 769 C PRO A 47 8.638 3.385 10.243 1.00 0.00 C ATOM 770 O PRO A 47 7.889 2.436 10.477 1.00 0.00 O ATOM 771 CB PRO A 47 10.180 2.423 8.515 1.00 0.00 C ATOM 772 CG PRO A 47 11.138 3.045 7.590 1.00 0.00 C ATOM 773 CD PRO A 47 11.450 4.366 8.239 1.00 0.00 C ATOM 0 HA PRO A 47 8.365 3.670 8.201 1.00 0.00 H new ATOM 0 HB2 PRO A 47 10.672 2.032 9.406 1.00 0.00 H new ATOM 0 HB3 PRO A 47 9.651 1.590 8.052 1.00 0.00 H new ATOM 0 HG2 PRO A 47 12.034 2.435 7.471 1.00 0.00 H new ATOM 0 HG3 PRO A 47 10.708 3.178 6.597 1.00 0.00 H new ATOM 0 HD2 PRO A 47 12.168 4.267 9.053 1.00 0.00 H new ATOM 0 HD3 PRO A 47 11.866 5.085 7.533 1.00 0.00 H new ATOM 781 N THR A 48 8.974 4.272 11.169 1.00 0.00 N ATOM 782 CA THR A 48 8.468 4.181 12.533 1.00 0.00 C ATOM 783 C THR A 48 6.944 4.254 12.551 1.00 0.00 C ATOM 784 O THR A 48 6.274 3.369 13.084 1.00 0.00 O ATOM 785 CB THR A 48 9.057 5.313 13.386 1.00 0.00 C ATOM 786 OG1 THR A 48 8.468 5.330 14.674 1.00 0.00 O ATOM 787 CG2 THR A 48 8.857 6.681 12.770 1.00 0.00 C ATOM 0 H THR A 48 9.595 5.064 11.001 1.00 0.00 H new ATOM 0 HA THR A 48 8.771 3.221 12.950 1.00 0.00 H new ATOM 0 HB THR A 48 10.126 5.108 13.447 1.00 0.00 H new ATOM 0 HG1 THR A 48 8.858 6.057 15.202 1.00 0.00 H new ATOM 0 HG21 THR A 48 9.294 7.440 13.419 1.00 0.00 H new ATOM 0 HG22 THR A 48 9.341 6.715 11.794 1.00 0.00 H new ATOM 0 HG23 THR A 48 7.791 6.875 12.653 1.00 0.00 H new ATOM 795 N LYS A 49 6.408 5.313 11.961 1.00 0.00 N ATOM 796 CA LYS A 49 4.968 5.513 11.895 1.00 0.00 C ATOM 797 C LYS A 49 4.536 5.857 10.470 1.00 0.00 C ATOM 798 O LYS A 49 3.377 5.671 10.102 1.00 0.00 O ATOM 799 CB LYS A 49 4.544 6.633 12.850 1.00 0.00 C ATOM 800 CG LYS A 49 5.229 6.573 14.206 1.00 0.00 C ATOM 801 CD LYS A 49 4.454 7.350 15.258 1.00 0.00 C ATOM 802 CE LYS A 49 4.891 8.806 15.309 1.00 0.00 C ATOM 803 NZ LYS A 49 6.286 8.952 15.809 1.00 0.00 N ATOM 0 H LYS A 49 6.954 6.052 11.518 1.00 0.00 H new ATOM 0 HA LYS A 49 4.481 4.585 12.194 1.00 0.00 H new ATOM 0 HB2 LYS A 49 4.760 7.595 12.386 1.00 0.00 H new ATOM 0 HB3 LYS A 49 3.465 6.585 12.996 1.00 0.00 H new ATOM 0 HG2 LYS A 49 5.327 5.534 14.519 1.00 0.00 H new ATOM 0 HG3 LYS A 49 6.238 6.978 14.123 1.00 0.00 H new ATOM 0 HD2 LYS A 49 3.388 7.296 15.039 1.00 0.00 H new ATOM 0 HD3 LYS A 49 4.603 6.890 16.235 1.00 0.00 H new ATOM 0 HE2 LYS A 49 4.815 9.242 14.313 1.00 0.00 H new ATOM 0 HE3 LYS A 49 4.214 9.365 15.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 6.418 9.909 16.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 6.462 8.250 16.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 6.953 8.799 15.026 1.00 0.00 H new ATOM 817 N TYR A 50 5.477 6.371 9.676 1.00 0.00 N ATOM 818 CA TYR A 50 5.192 6.752 8.302 1.00 0.00 C ATOM 819 C TYR A 50 5.174 5.544 7.368 1.00 0.00 C ATOM 820 O TYR A 50 4.600 5.615 6.285 1.00 0.00 O ATOM 821 CB TYR A 50 6.210 7.780 7.810 1.00 0.00 C ATOM 822 CG TYR A 50 6.071 9.129 8.479 1.00 0.00 C ATOM 823 CD1 TYR A 50 4.902 9.868 8.351 1.00 0.00 C ATOM 824 CD2 TYR A 50 7.105 9.662 9.238 1.00 0.00 C ATOM 825 CE1 TYR A 50 4.768 11.102 8.958 1.00 0.00 C ATOM 826 CE2 TYR A 50 6.978 10.895 9.849 1.00 0.00 C ATOM 827 CZ TYR A 50 5.809 11.611 9.706 1.00 0.00 C ATOM 828 OH TYR A 50 5.678 12.839 10.314 1.00 0.00 O ATOM 0 H TYR A 50 6.442 6.531 9.966 1.00 0.00 H new ATOM 0 HA TYR A 50 4.197 7.197 8.289 1.00 0.00 H new ATOM 0 HB2 TYR A 50 7.216 7.398 7.985 1.00 0.00 H new ATOM 0 HB3 TYR A 50 6.099 7.904 6.733 1.00 0.00 H new ATOM 0 HD1 TYR A 50 4.084 9.472 7.767 1.00 0.00 H new ATOM 0 HD2 TYR A 50 8.023 9.104 9.352 1.00 0.00 H new ATOM 0 HE1 TYR A 50 3.853 11.665 8.847 1.00 0.00 H new ATOM 0 HE2 TYR A 50 7.791 11.296 10.436 1.00 0.00 H new ATOM 0 HH TYR A 50 6.500 13.051 10.803 1.00 0.00 H new ATOM 838 N SER A 51 5.813 4.442 7.779 1.00 0.00 N ATOM 839 CA SER A 51 5.859 3.232 6.949 1.00 0.00 C ATOM 840 C SER A 51 4.455 2.753 6.554 1.00 0.00 C ATOM 841 O SER A 51 3.993 1.707 7.011 1.00 0.00 O ATOM 842 CB SER A 51 6.603 2.112 7.684 1.00 0.00 C ATOM 843 OG SER A 51 7.710 1.653 6.927 1.00 0.00 O ATOM 0 H SER A 51 6.300 4.363 8.671 1.00 0.00 H new ATOM 0 HA SER A 51 6.394 3.486 6.034 1.00 0.00 H new ATOM 0 HB2 SER A 51 6.946 2.474 8.653 1.00 0.00 H new ATOM 0 HB3 SER A 51 5.921 1.284 7.876 1.00 0.00 H new ATOM 0 HG SER A 51 7.872 0.707 7.125 1.00 0.00 H new ATOM 849 N SER A 52 3.789 3.519 5.694 1.00 0.00 N ATOM 850 CA SER A 52 2.450 3.176 5.223 1.00 0.00 C ATOM 851 C SER A 52 1.989 4.179 4.180 1.00 0.00 C ATOM 852 O SER A 52 2.458 5.312 4.144 1.00 0.00 O ATOM 853 CB SER A 52 1.455 3.134 6.383 1.00 0.00 C ATOM 854 OG SER A 52 1.407 4.377 7.061 1.00 0.00 O ATOM 0 H SER A 52 4.158 4.387 5.307 1.00 0.00 H new ATOM 0 HA SER A 52 2.493 2.184 4.772 1.00 0.00 H new ATOM 0 HB2 SER A 52 0.463 2.884 6.006 1.00 0.00 H new ATOM 0 HB3 SER A 52 1.739 2.347 7.081 1.00 0.00 H new ATOM 0 HG SER A 52 0.762 4.324 7.797 1.00 0.00 H new ATOM 860 N ILE A 53 1.080 3.753 3.323 1.00 0.00 N ATOM 861 CA ILE A 53 0.571 4.601 2.268 1.00 0.00 C ATOM 862 C ILE A 53 -0.947 4.497 2.225 1.00 0.00 C ATOM 863 O ILE A 53 -1.512 3.496 2.671 1.00 0.00 O ATOM 864 CB ILE A 53 1.149 4.144 0.914 1.00 0.00 C ATOM 865 CG1 ILE A 53 2.668 3.898 1.013 1.00 0.00 C ATOM 866 CG2 ILE A 53 0.820 5.116 -0.223 1.00 0.00 C ATOM 867 CD1 ILE A 53 3.532 5.140 1.002 1.00 0.00 C ATOM 0 H ILE A 53 0.678 2.816 3.340 1.00 0.00 H new ATOM 0 HA ILE A 53 0.864 5.633 2.460 1.00 0.00 H new ATOM 0 HB ILE A 53 0.665 3.199 0.669 1.00 0.00 H new ATOM 0 HG12 ILE A 53 2.870 3.345 1.930 1.00 0.00 H new ATOM 0 HG13 ILE A 53 2.970 3.260 0.183 1.00 0.00 H new ATOM 0 HG21 ILE A 53 1.251 4.746 -1.154 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -0.262 5.197 -0.331 1.00 0.00 H new ATOM 0 HG23 ILE A 53 1.237 6.097 0.005 1.00 0.00 H new ATOM 0 HD11 ILE A 53 4.581 4.854 1.076 1.00 0.00 H new ATOM 0 HD12 ILE A 53 3.370 5.688 0.074 1.00 0.00 H new ATOM 0 HD13 ILE A 53 3.268 5.774 1.848 1.00 0.00 H new ATOM 879 N CYS A 54 -1.616 5.513 1.694 1.00 0.00 N ATOM 880 CA CYS A 54 -3.064 5.481 1.619 1.00 0.00 C ATOM 881 C CYS A 54 -3.510 5.305 0.156 1.00 0.00 C ATOM 882 O CYS A 54 -2.739 5.577 -0.765 1.00 0.00 O ATOM 883 CB CYS A 54 -3.650 6.732 2.281 1.00 0.00 C ATOM 884 SG CYS A 54 -3.900 8.139 1.187 1.00 0.00 S ATOM 0 H CYS A 54 -1.184 6.356 1.315 1.00 0.00 H new ATOM 0 HA CYS A 54 -3.450 4.624 2.171 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -4.607 6.469 2.732 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -2.989 7.037 3.092 1.00 0.00 H new ATOM 0 HG CYS A 54 -2.748 8.583 0.781 1.00 0.00 H new ATOM 889 N SER A 55 -4.726 4.794 -0.056 1.00 0.00 N ATOM 890 CA SER A 55 -5.229 4.519 -1.406 1.00 0.00 C ATOM 891 C SER A 55 -5.225 5.739 -2.331 1.00 0.00 C ATOM 892 O SER A 55 -4.988 5.605 -3.530 1.00 0.00 O ATOM 893 CB SER A 55 -6.641 3.937 -1.333 1.00 0.00 C ATOM 894 OG SER A 55 -7.227 4.172 -0.064 1.00 0.00 O ATOM 0 H SER A 55 -5.381 4.562 0.690 1.00 0.00 H new ATOM 0 HA SER A 55 -4.538 3.797 -1.841 1.00 0.00 H new ATOM 0 HB2 SER A 55 -7.261 4.382 -2.111 1.00 0.00 H new ATOM 0 HB3 SER A 55 -6.606 2.865 -1.527 1.00 0.00 H new ATOM 0 HG SER A 55 -6.803 3.594 0.604 1.00 0.00 H new ATOM 900 N GLU A 56 -5.519 6.914 -1.790 1.00 0.00 N ATOM 901 CA GLU A 56 -5.581 8.134 -2.563 1.00 0.00 C ATOM 902 C GLU A 56 -4.471 8.254 -3.618 1.00 0.00 C ATOM 903 O GLU A 56 -4.641 8.949 -4.621 1.00 0.00 O ATOM 904 CB GLU A 56 -5.531 9.310 -1.604 1.00 0.00 C ATOM 905 CG GLU A 56 -6.636 9.281 -0.573 1.00 0.00 C ATOM 906 CD GLU A 56 -7.035 10.667 -0.104 1.00 0.00 C ATOM 907 OE1 GLU A 56 -6.184 11.359 0.493 1.00 0.00 O ATOM 908 OE2 GLU A 56 -8.198 11.060 -0.334 1.00 0.00 O ATOM 0 H GLU A 56 -5.721 7.042 -0.798 1.00 0.00 H new ATOM 0 HA GLU A 56 -6.515 8.124 -3.124 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -4.567 9.315 -1.095 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -5.597 10.238 -2.172 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -7.507 8.780 -0.994 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -6.312 8.691 0.284 1.00 0.00 H new ATOM 915 N HIS A 57 -3.333 7.608 -3.382 1.00 0.00 N ATOM 916 CA HIS A 57 -2.202 7.687 -4.313 1.00 0.00 C ATOM 917 C HIS A 57 -2.100 6.453 -5.206 1.00 0.00 C ATOM 918 O HIS A 57 -1.439 6.486 -6.244 1.00 0.00 O ATOM 919 CB HIS A 57 -0.902 7.869 -3.517 1.00 0.00 C ATOM 920 CG HIS A 57 -1.067 8.800 -2.371 1.00 0.00 C ATOM 921 ND1 HIS A 57 -1.597 10.068 -2.486 1.00 0.00 N ATOM 922 CD2 HIS A 57 -0.842 8.598 -1.063 1.00 0.00 C ATOM 923 CE1 HIS A 57 -1.694 10.604 -1.276 1.00 0.00 C ATOM 924 NE2 HIS A 57 -1.243 9.725 -0.390 1.00 0.00 N ATOM 0 H HIS A 57 -3.166 7.027 -2.561 1.00 0.00 H new ATOM 0 HA HIS A 57 -2.366 8.543 -4.967 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -0.565 6.900 -3.149 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -0.123 8.246 -4.179 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -0.421 7.708 -0.620 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -2.075 11.589 -1.050 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -1.201 9.863 0.620 1.00 0.00 H new ATOM 932 N PHE A 58 -2.746 5.367 -4.803 1.00 0.00 N ATOM 933 CA PHE A 58 -2.711 4.133 -5.577 1.00 0.00 C ATOM 934 C PHE A 58 -3.786 4.135 -6.665 1.00 0.00 C ATOM 935 O PHE A 58 -4.735 4.915 -6.606 1.00 0.00 O ATOM 936 CB PHE A 58 -2.922 2.933 -4.656 1.00 0.00 C ATOM 937 CG PHE A 58 -1.673 2.518 -3.943 1.00 0.00 C ATOM 938 CD1 PHE A 58 -0.681 1.821 -4.609 1.00 0.00 C ATOM 939 CD2 PHE A 58 -1.489 2.834 -2.608 1.00 0.00 C ATOM 940 CE1 PHE A 58 0.474 1.443 -3.956 1.00 0.00 C ATOM 941 CE2 PHE A 58 -0.337 2.459 -1.951 1.00 0.00 C ATOM 942 CZ PHE A 58 0.646 1.762 -2.625 1.00 0.00 C ATOM 0 H PHE A 58 -3.299 5.315 -3.947 1.00 0.00 H new ATOM 0 HA PHE A 58 -1.734 4.062 -6.055 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -3.690 3.176 -3.921 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -3.296 2.093 -5.242 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -0.812 1.570 -5.651 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -2.255 3.379 -2.077 1.00 0.00 H new ATOM 0 HE1 PHE A 58 1.242 0.899 -4.486 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -0.203 2.710 -0.909 1.00 0.00 H new ATOM 0 HZ PHE A 58 1.549 1.467 -2.111 1.00 0.00 H new ATOM 952 N THR A 59 -3.644 3.246 -7.649 1.00 0.00 N ATOM 953 CA THR A 59 -4.624 3.145 -8.729 1.00 0.00 C ATOM 954 C THR A 59 -5.759 2.203 -8.335 1.00 0.00 C ATOM 955 O THR A 59 -5.539 1.185 -7.678 1.00 0.00 O ATOM 956 CB THR A 59 -3.978 2.640 -10.027 1.00 0.00 C ATOM 957 OG1 THR A 59 -3.134 1.533 -9.769 1.00 0.00 O ATOM 958 CG2 THR A 59 -3.154 3.677 -10.770 1.00 0.00 C ATOM 0 H THR A 59 -2.866 2.590 -7.720 1.00 0.00 H new ATOM 0 HA THR A 59 -5.021 4.145 -8.902 1.00 0.00 H new ATOM 0 HB THR A 59 -4.823 2.370 -10.661 1.00 0.00 H new ATOM 0 HG1 THR A 59 -2.733 1.225 -10.608 1.00 0.00 H new ATOM 0 HG21 THR A 59 -2.737 3.231 -11.673 1.00 0.00 H new ATOM 0 HG22 THR A 59 -3.789 4.520 -11.042 1.00 0.00 H new ATOM 0 HG23 THR A 59 -2.344 4.025 -10.129 1.00 0.00 H new ATOM 966 N PRO A 60 -6.989 2.534 -8.749 1.00 0.00 N ATOM 967 CA PRO A 60 -8.182 1.725 -8.461 1.00 0.00 C ATOM 968 C PRO A 60 -7.996 0.263 -8.853 1.00 0.00 C ATOM 969 O PRO A 60 -8.485 -0.644 -8.180 1.00 0.00 O ATOM 970 CB PRO A 60 -9.252 2.366 -9.349 1.00 0.00 C ATOM 971 CG PRO A 60 -8.808 3.764 -9.505 1.00 0.00 C ATOM 972 CD PRO A 60 -7.314 3.726 -9.546 1.00 0.00 C ATOM 0 HA PRO A 60 -8.424 1.714 -7.398 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -9.323 1.862 -10.313 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -10.238 2.311 -8.887 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -9.211 4.201 -10.419 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -9.159 4.379 -8.676 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -6.941 3.643 -10.567 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -6.876 4.628 -9.119 1.00 0.00 H new ATOM 980 N ASP A 61 -7.298 0.050 -9.964 1.00 0.00 N ATOM 981 CA ASP A 61 -7.052 -1.296 -10.480 1.00 0.00 C ATOM 982 C ASP A 61 -6.210 -2.135 -9.522 1.00 0.00 C ATOM 983 O ASP A 61 -6.235 -3.364 -9.579 1.00 0.00 O ATOM 984 CB ASP A 61 -6.365 -1.218 -11.844 1.00 0.00 C ATOM 985 CG ASP A 61 -6.200 -2.582 -12.487 1.00 0.00 C ATOM 986 OD1 ASP A 61 -7.090 -3.439 -12.300 1.00 0.00 O ATOM 987 OD2 ASP A 61 -5.182 -2.793 -13.178 1.00 0.00 O ATOM 0 H ASP A 61 -6.890 0.795 -10.528 1.00 0.00 H new ATOM 0 HA ASP A 61 -8.020 -1.786 -10.583 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -6.947 -0.576 -12.505 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -5.386 -0.753 -11.729 1.00 0.00 H new ATOM 992 N CYS A 62 -5.462 -1.474 -8.648 1.00 0.00 N ATOM 993 CA CYS A 62 -4.615 -2.169 -7.690 1.00 0.00 C ATOM 994 C CYS A 62 -5.352 -2.413 -6.372 1.00 0.00 C ATOM 995 O CYS A 62 -4.731 -2.658 -5.338 1.00 0.00 O ATOM 996 CB CYS A 62 -3.333 -1.367 -7.443 1.00 0.00 C ATOM 997 SG CYS A 62 -2.132 -2.205 -6.381 1.00 0.00 S ATOM 0 H CYS A 62 -5.425 -0.457 -8.583 1.00 0.00 H new ATOM 0 HA CYS A 62 -4.353 -3.140 -8.111 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -2.864 -1.148 -8.402 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -3.597 -0.411 -6.991 1.00 0.00 H new ATOM 0 HG CYS A 62 -2.751 -2.766 -5.385 1.00 0.00 H new ATOM 1003 N PHE A 63 -6.681 -2.347 -6.411 1.00 0.00 N ATOM 1004 CA PHE A 63 -7.486 -2.564 -5.222 1.00 0.00 C ATOM 1005 C PHE A 63 -8.586 -3.579 -5.503 1.00 0.00 C ATOM 1006 O PHE A 63 -9.730 -3.404 -5.085 1.00 0.00 O ATOM 1007 CB PHE A 63 -8.088 -1.241 -4.761 1.00 0.00 C ATOM 1008 CG PHE A 63 -7.083 -0.317 -4.132 1.00 0.00 C ATOM 1009 CD1 PHE A 63 -6.113 -0.810 -3.271 1.00 0.00 C ATOM 1010 CD2 PHE A 63 -7.103 1.040 -4.406 1.00 0.00 C ATOM 1011 CE1 PHE A 63 -5.184 0.035 -2.698 1.00 0.00 C ATOM 1012 CE2 PHE A 63 -6.175 1.890 -3.834 1.00 0.00 C ATOM 1013 CZ PHE A 63 -5.215 1.385 -2.979 1.00 0.00 C ATOM 0 H PHE A 63 -7.218 -2.145 -7.254 1.00 0.00 H new ATOM 0 HA PHE A 63 -6.850 -2.960 -4.430 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -8.546 -0.741 -5.615 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -8.884 -1.442 -4.044 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -6.085 -1.866 -3.047 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -7.852 1.439 -5.074 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -4.433 -0.361 -2.030 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -6.201 2.947 -4.055 1.00 0.00 H new ATOM 0 HZ PHE A 63 -4.489 2.047 -2.531 1.00 0.00 H new ATOM 1164 N LEU A 72 -1.953 -4.736 -3.201 1.00 0.00 N ATOM 1165 CA LEU A 72 -0.692 -4.029 -3.500 1.00 0.00 C ATOM 1166 C LEU A 72 0.466 -4.993 -3.804 1.00 0.00 C ATOM 1167 O LEU A 72 1.366 -5.190 -2.988 1.00 0.00 O ATOM 1168 CB LEU A 72 -0.324 -3.100 -2.332 1.00 0.00 C ATOM 1169 CG LEU A 72 0.055 -3.811 -1.029 1.00 0.00 C ATOM 1170 CD1 LEU A 72 1.266 -3.149 -0.389 1.00 0.00 C ATOM 1171 CD2 LEU A 72 -1.123 -3.822 -0.064 1.00 0.00 C ATOM 0 HA LEU A 72 -0.855 -3.438 -4.401 1.00 0.00 H new ATOM 0 HB2 LEU A 72 0.510 -2.469 -2.639 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -1.168 -2.439 -2.135 1.00 0.00 H new ATOM 0 HG LEU A 72 0.315 -4.843 -1.265 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.519 -3.669 0.535 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.112 -3.196 -1.075 1.00 0.00 H new ATOM 0 HD13 LEU A 72 1.036 -2.107 -0.168 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -0.835 -4.331 0.856 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -1.416 -2.797 0.165 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -1.963 -4.346 -0.521 1.00 0.00 H new ATOM 1183 N LYS A 73 0.413 -5.597 -4.990 1.00 0.00 N ATOM 1184 CA LYS A 73 1.425 -6.558 -5.429 1.00 0.00 C ATOM 1185 C LYS A 73 2.432 -5.921 -6.375 1.00 0.00 C ATOM 1186 O LYS A 73 2.464 -4.705 -6.546 1.00 0.00 O ATOM 1187 CB LYS A 73 0.740 -7.746 -6.111 1.00 0.00 C ATOM 1188 CG LYS A 73 0.544 -8.940 -5.191 1.00 0.00 C ATOM 1189 CD LYS A 73 1.582 -10.023 -5.449 1.00 0.00 C ATOM 1190 CE LYS A 73 0.931 -11.373 -5.699 1.00 0.00 C ATOM 1191 NZ LYS A 73 0.400 -11.485 -7.086 1.00 0.00 N ATOM 0 H LYS A 73 -0.329 -5.436 -5.671 1.00 0.00 H new ATOM 0 HA LYS A 73 1.971 -6.901 -4.551 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -0.230 -7.427 -6.491 1.00 0.00 H new ATOM 0 HB3 LYS A 73 1.334 -8.054 -6.971 1.00 0.00 H new ATOM 0 HG2 LYS A 73 0.608 -8.614 -4.153 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -0.455 -9.351 -5.335 1.00 0.00 H new ATOM 0 HD2 LYS A 73 2.191 -9.747 -6.310 1.00 0.00 H new ATOM 0 HD3 LYS A 73 2.254 -10.095 -4.594 1.00 0.00 H new ATOM 0 HE2 LYS A 73 1.659 -12.165 -5.524 1.00 0.00 H new ATOM 0 HE3 LYS A 73 0.120 -11.522 -4.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -0.036 -12.420 -7.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -0.313 -10.745 -7.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 1.178 -11.368 -7.766 1.00 0.00 H new ATOM 1205 N GLU A 74 3.258 -6.769 -6.977 1.00 0.00 N ATOM 1206 CA GLU A 74 4.294 -6.332 -7.920 1.00 0.00 C ATOM 1207 C GLU A 74 3.804 -5.197 -8.814 1.00 0.00 C ATOM 1208 O GLU A 74 4.575 -4.330 -9.217 1.00 0.00 O ATOM 1209 CB GLU A 74 4.757 -7.508 -8.781 1.00 0.00 C ATOM 1210 CG GLU A 74 6.211 -7.411 -9.213 1.00 0.00 C ATOM 1211 CD GLU A 74 7.176 -7.749 -8.094 1.00 0.00 C ATOM 1212 OE1 GLU A 74 7.240 -8.933 -7.702 1.00 0.00 O ATOM 1213 OE2 GLU A 74 7.868 -6.828 -7.608 1.00 0.00 O ATOM 0 H GLU A 74 3.233 -7.778 -6.829 1.00 0.00 H new ATOM 0 HA GLU A 74 5.133 -5.958 -7.333 1.00 0.00 H new ATOM 0 HB2 GLU A 74 4.613 -8.434 -8.224 1.00 0.00 H new ATOM 0 HB3 GLU A 74 4.126 -7.568 -9.668 1.00 0.00 H new ATOM 0 HG2 GLU A 74 6.383 -8.086 -10.052 1.00 0.00 H new ATOM 0 HG3 GLU A 74 6.414 -6.401 -9.570 1.00 0.00 H new ATOM 1220 N ASN A 75 2.517 -5.204 -9.115 1.00 0.00 N ATOM 1221 CA ASN A 75 1.927 -4.162 -9.948 1.00 0.00 C ATOM 1222 C ASN A 75 1.824 -2.862 -9.163 1.00 0.00 C ATOM 1223 O ASN A 75 2.130 -1.781 -9.669 1.00 0.00 O ATOM 1224 CB ASN A 75 0.540 -4.589 -10.432 1.00 0.00 C ATOM 1225 CG ASN A 75 0.598 -5.764 -11.388 1.00 0.00 C ATOM 1226 OD1 ASN A 75 1.044 -5.632 -12.527 1.00 0.00 O ATOM 1227 ND2 ASN A 75 0.144 -6.925 -10.926 1.00 0.00 N ATOM 0 H ASN A 75 1.859 -5.916 -8.798 1.00 0.00 H new ATOM 0 HA ASN A 75 2.568 -4.005 -10.815 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -0.076 -4.853 -9.573 1.00 0.00 H new ATOM 0 HB3 ASN A 75 0.055 -3.747 -10.925 1.00 0.00 H new ATOM 0 HD21 ASN A 75 0.157 -7.752 -11.523 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -0.217 -6.989 -9.974 1.00 0.00 H new ATOM 1234 N ALA A 76 1.384 -2.996 -7.921 1.00 0.00 N ATOM 1235 CA ALA A 76 1.209 -1.884 -7.001 1.00 0.00 C ATOM 1236 C ALA A 76 2.236 -0.785 -7.188 1.00 0.00 C ATOM 1237 O ALA A 76 3.418 -1.048 -7.400 1.00 0.00 O ATOM 1238 CB ALA A 76 1.234 -2.391 -5.571 1.00 0.00 C ATOM 0 H ALA A 76 1.134 -3.899 -7.517 1.00 0.00 H new ATOM 0 HA ALA A 76 0.239 -1.439 -7.223 1.00 0.00 H new ATOM 0 HB1 ALA A 76 1.102 -1.554 -4.886 1.00 0.00 H new ATOM 0 HB2 ALA A 76 0.427 -3.109 -5.425 1.00 0.00 H new ATOM 0 HB3 ALA A 76 2.190 -2.875 -5.373 1.00 0.00 H new ATOM 1244 N VAL A 77 1.750 0.448 -7.112 1.00 0.00 N ATOM 1245 CA VAL A 77 2.581 1.625 -7.276 1.00 0.00 C ATOM 1246 C VAL A 77 1.762 2.885 -6.953 1.00 0.00 C ATOM 1247 O VAL A 77 0.597 2.983 -7.337 1.00 0.00 O ATOM 1248 CB VAL A 77 3.098 1.700 -8.732 1.00 0.00 C ATOM 1249 CG1 VAL A 77 3.411 3.131 -9.159 1.00 0.00 C ATOM 1250 CG2 VAL A 77 4.314 0.811 -8.922 1.00 0.00 C ATOM 0 H VAL A 77 0.767 0.656 -6.935 1.00 0.00 H new ATOM 0 HA VAL A 77 3.430 1.563 -6.596 1.00 0.00 H new ATOM 0 HB VAL A 77 2.295 1.337 -9.373 1.00 0.00 H new ATOM 0 HG11 VAL A 77 3.771 3.133 -10.188 1.00 0.00 H new ATOM 0 HG12 VAL A 77 2.508 3.737 -9.089 1.00 0.00 H new ATOM 0 HG13 VAL A 77 4.178 3.546 -8.506 1.00 0.00 H new ATOM 0 HG21 VAL A 77 4.658 0.881 -9.954 1.00 0.00 H new ATOM 0 HG22 VAL A 77 5.110 1.135 -8.251 1.00 0.00 H new ATOM 0 HG23 VAL A 77 4.048 -0.222 -8.698 1.00 0.00 H new ATOM 1260 N PRO A 78 2.355 3.870 -6.256 1.00 0.00 N ATOM 1261 CA PRO A 78 1.672 5.119 -5.903 1.00 0.00 C ATOM 1262 C PRO A 78 1.666 6.138 -7.046 1.00 0.00 C ATOM 1263 O PRO A 78 1.761 7.340 -6.806 1.00 0.00 O ATOM 1264 CB PRO A 78 2.497 5.635 -4.740 1.00 0.00 C ATOM 1265 CG PRO A 78 3.882 5.173 -5.036 1.00 0.00 C ATOM 1266 CD PRO A 78 3.744 3.854 -5.753 1.00 0.00 C ATOM 0 HA PRO A 78 0.619 4.958 -5.672 1.00 0.00 H new ATOM 0 HB2 PRO A 78 2.447 6.721 -4.668 1.00 0.00 H new ATOM 0 HB3 PRO A 78 2.139 5.236 -3.791 1.00 0.00 H new ATOM 0 HG2 PRO A 78 4.410 5.899 -5.655 1.00 0.00 H new ATOM 0 HG3 PRO A 78 4.458 5.058 -4.118 1.00 0.00 H new ATOM 0 HD2 PRO A 78 4.463 3.764 -6.567 1.00 0.00 H new ATOM 0 HD3 PRO A 78 3.916 3.013 -5.081 1.00 0.00 H new ATOM 1274 N THR A 79 1.574 5.630 -8.279 1.00 0.00 N ATOM 1275 CA THR A 79 1.565 6.438 -9.511 1.00 0.00 C ATOM 1276 C THR A 79 1.568 7.953 -9.277 1.00 0.00 C ATOM 1277 O THR A 79 2.447 8.654 -9.778 1.00 0.00 O ATOM 1278 CB THR A 79 0.348 6.064 -10.357 1.00 0.00 C ATOM 1279 OG1 THR A 79 -0.057 4.733 -10.094 1.00 0.00 O ATOM 1280 CG2 THR A 79 0.596 6.183 -11.846 1.00 0.00 C ATOM 0 H THR A 79 1.502 4.628 -8.456 1.00 0.00 H new ATOM 0 HA THR A 79 2.497 6.207 -10.026 1.00 0.00 H new ATOM 0 HB THR A 79 -0.429 6.775 -10.076 1.00 0.00 H new ATOM 0 HG1 THR A 79 -0.364 4.314 -10.925 1.00 0.00 H new ATOM 0 HG21 THR A 79 -0.307 5.903 -12.389 1.00 0.00 H new ATOM 0 HG22 THR A 79 0.862 7.212 -12.090 1.00 0.00 H new ATOM 0 HG23 THR A 79 1.412 5.520 -12.133 1.00 0.00 H new ATOM 1288 N ILE A 80 0.573 8.460 -8.549 1.00 0.00 N ATOM 1289 CA ILE A 80 0.459 9.888 -8.295 1.00 0.00 C ATOM 1290 C ILE A 80 1.814 10.547 -8.012 1.00 0.00 C ATOM 1291 O ILE A 80 2.018 11.719 -8.329 1.00 0.00 O ATOM 1292 CB ILE A 80 -0.524 10.172 -7.155 1.00 0.00 C ATOM 1293 CG1 ILE A 80 -1.926 10.061 -7.724 1.00 0.00 C ATOM 1294 CG2 ILE A 80 -0.307 11.558 -6.550 1.00 0.00 C ATOM 1295 CD1 ILE A 80 -3.000 10.193 -6.692 1.00 0.00 C ATOM 0 H ILE A 80 -0.165 7.898 -8.126 1.00 0.00 H new ATOM 0 HA ILE A 80 0.070 10.333 -9.211 1.00 0.00 H new ATOM 0 HB ILE A 80 -0.368 9.452 -6.352 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -2.064 10.832 -8.482 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -2.031 9.099 -8.226 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -1.024 11.720 -5.745 1.00 0.00 H new ATOM 0 HG22 ILE A 80 0.706 11.627 -6.153 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -0.448 12.317 -7.320 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -3.976 10.104 -7.169 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -2.887 9.406 -5.947 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -2.921 11.166 -6.207 1.00 0.00 H new ATOM 1307 N PHE A 81 2.738 9.788 -7.426 1.00 0.00 N ATOM 1308 CA PHE A 81 4.060 10.299 -7.119 1.00 0.00 C ATOM 1309 C PHE A 81 5.129 9.578 -7.941 1.00 0.00 C ATOM 1310 O PHE A 81 6.248 10.069 -8.085 1.00 0.00 O ATOM 1311 CB PHE A 81 4.378 10.180 -5.620 1.00 0.00 C ATOM 1312 CG PHE A 81 3.287 10.670 -4.710 1.00 0.00 C ATOM 1313 CD1 PHE A 81 2.004 10.151 -4.793 1.00 0.00 C ATOM 1314 CD2 PHE A 81 3.551 11.642 -3.758 1.00 0.00 C ATOM 1315 CE1 PHE A 81 1.009 10.596 -3.951 1.00 0.00 C ATOM 1316 CE2 PHE A 81 2.556 12.087 -2.909 1.00 0.00 C ATOM 1317 CZ PHE A 81 1.283 11.563 -3.006 1.00 0.00 C ATOM 0 H PHE A 81 2.589 8.816 -7.156 1.00 0.00 H new ATOM 0 HA PHE A 81 4.067 11.356 -7.384 1.00 0.00 H new ATOM 0 HB2 PHE A 81 4.586 9.136 -5.388 1.00 0.00 H new ATOM 0 HB3 PHE A 81 5.289 10.741 -5.409 1.00 0.00 H new ATOM 0 HD1 PHE A 81 1.782 9.389 -5.526 1.00 0.00 H new ATOM 0 HD2 PHE A 81 4.545 12.056 -3.679 1.00 0.00 H new ATOM 0 HE1 PHE A 81 0.013 10.187 -4.031 1.00 0.00 H new ATOM 0 HE2 PHE A 81 2.774 12.844 -2.170 1.00 0.00 H new ATOM 0 HZ PHE A 81 0.503 11.909 -2.344 1.00 0.00 H new ATOM 1327 N LEU A 82 4.776 8.413 -8.481 1.00 0.00 N ATOM 1328 CA LEU A 82 5.698 7.630 -9.290 1.00 0.00 C ATOM 1329 C LEU A 82 5.684 8.124 -10.738 1.00 0.00 C ATOM 1330 O LEU A 82 4.623 8.406 -11.296 1.00 0.00 O ATOM 1331 CB LEU A 82 5.311 6.151 -9.209 1.00 0.00 C ATOM 1332 CG LEU A 82 6.354 5.151 -9.723 1.00 0.00 C ATOM 1333 CD1 LEU A 82 6.214 4.957 -11.221 1.00 0.00 C ATOM 1334 CD2 LEU A 82 7.766 5.599 -9.366 1.00 0.00 C ATOM 0 H LEU A 82 3.854 7.992 -8.370 1.00 0.00 H new ATOM 0 HA LEU A 82 6.712 7.749 -8.908 1.00 0.00 H new ATOM 0 HB2 LEU A 82 5.089 5.911 -8.169 1.00 0.00 H new ATOM 0 HB3 LEU A 82 4.390 6.006 -9.773 1.00 0.00 H new ATOM 0 HG LEU A 82 6.174 4.194 -9.234 1.00 0.00 H new ATOM 0 HD11 LEU A 82 6.962 4.244 -11.567 1.00 0.00 H new ATOM 0 HD12 LEU A 82 5.218 4.576 -11.447 1.00 0.00 H new ATOM 0 HD13 LEU A 82 6.361 5.911 -11.727 1.00 0.00 H new ATOM 0 HD21 LEU A 82 8.485 4.871 -9.743 1.00 0.00 H new ATOM 0 HD22 LEU A 82 7.964 6.571 -9.817 1.00 0.00 H new ATOM 0 HD23 LEU A 82 7.861 5.675 -8.283 1.00 0.00 H new