USER MOD reduce.3.24.130724 H: found=0, std=0, add=591, rem=0, adj=25 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 28 THR OG1 : rot -161:sc= 0.735 USER MOD Set 1.2: A 73 LYS NZ :NH3+ 161:sc= -0.251 (180deg=-0.711) USER MOD Set 2.1: A 5 CYS SG : rot -130:sc= -1.11 USER MOD Set 2.2: A 10 CYS SG : rot -155:sc= 0.315 USER MOD Set 2.3: A 54 CYS SG : rot -65:sc= -1.97 USER MOD Set 2.4: A 57 HIS : no HD1:sc= -1.49 K(o=-4.3,f=-9.2!) USER MOD Set 3.1: A 24 LYS NZ :NH3+ -156:sc= 0.019 (180deg=0) USER MOD Set 3.2: A 51 SER OG : rot -109:sc= 1.07 USER MOD Set 4.1: A 21 SER OG : rot 180:sc= 0.0557 USER MOD Set 4.2: A 23 HIS : no HD1:sc= -2.79 K(o=-3.1,f=-2.3) USER MOD Set 4.3: A 55 SER OG : rot -61:sc= -0.317! USER MOD Single : A 3 GLN : amide:sc= -0.0566 K(o=-0.057,f=-1.4!) USER MOD Single : A 4 SER OG : rot 180:sc= 0.0119 USER MOD Single : A 6 SER OG : rot 120:sc= -5.38! USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0539) USER MOD Single : A 12 ASN : amide:sc= -9.3! C(o=-9.3!,f=-6.1!) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -134:sc= -1.14 (180deg=-2.07!) USER MOD Single : A 18 LYS NZ :NH3+ -149:sc= -0.229 (180deg=-1.06) USER MOD Single : A 31 SER OG : rot 180:sc= 0.0514 USER MOD Single : A 33 CYS SG : rot 128:sc=-0.00993 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 157:sc= 0.15 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= 0.493 K(o=0.49,f=-4.4!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0.00927 USER MOD Single : A 62 CYS SG : rot -44:sc= -0.166 USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.193 USER MOD ----------------------------------------------------------------- ATOM 20 N VAL A 2 -9.204 10.240 10.276 1.00 0.00 N ATOM 21 CA VAL A 2 -9.249 9.160 11.256 1.00 0.00 C ATOM 22 C VAL A 2 -8.070 8.202 11.079 1.00 0.00 C ATOM 23 O VAL A 2 -8.096 7.076 11.573 1.00 0.00 O ATOM 24 CB VAL A 2 -10.574 8.369 11.174 1.00 0.00 C ATOM 25 CG1 VAL A 2 -10.766 7.517 12.420 1.00 0.00 C ATOM 26 CG2 VAL A 2 -11.752 9.315 10.983 1.00 0.00 C ATOM 0 HA VAL A 2 -9.184 9.626 12.239 1.00 0.00 H new ATOM 0 HB VAL A 2 -10.525 7.706 10.310 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -11.704 6.967 12.344 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -9.939 6.813 12.510 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -10.792 8.160 13.300 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -12.676 8.739 10.928 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -11.805 10.005 11.825 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -11.620 9.879 10.060 1.00 0.00 H new ATOM 36 N GLN A 3 -7.036 8.661 10.371 1.00 0.00 N ATOM 37 CA GLN A 3 -5.847 7.860 10.123 1.00 0.00 C ATOM 38 C GLN A 3 -4.905 8.628 9.207 1.00 0.00 C ATOM 39 O GLN A 3 -5.346 9.319 8.288 1.00 0.00 O ATOM 40 CB GLN A 3 -6.220 6.512 9.487 1.00 0.00 C ATOM 41 CG GLN A 3 -5.028 5.673 9.038 1.00 0.00 C ATOM 42 CD GLN A 3 -4.365 4.941 10.189 1.00 0.00 C ATOM 43 OE1 GLN A 3 -5.004 4.639 11.197 1.00 0.00 O ATOM 44 NE2 GLN A 3 -3.078 4.651 10.043 1.00 0.00 N ATOM 0 H GLN A 3 -7.004 9.593 9.958 1.00 0.00 H new ATOM 0 HA GLN A 3 -5.351 7.660 11.073 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -6.804 5.936 10.204 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -6.863 6.696 8.627 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -5.358 4.949 8.293 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -4.296 6.318 8.553 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -2.588 4.921 9.190 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -2.579 4.158 10.784 1.00 0.00 H new ATOM 53 N SER A 4 -3.615 8.519 9.469 1.00 0.00 N ATOM 54 CA SER A 4 -2.624 9.225 8.668 1.00 0.00 C ATOM 55 C SER A 4 -1.973 8.328 7.625 1.00 0.00 C ATOM 56 O SER A 4 -2.113 7.105 7.643 1.00 0.00 O ATOM 57 CB SER A 4 -1.540 9.844 9.545 1.00 0.00 C ATOM 58 OG SER A 4 -1.728 9.507 10.910 1.00 0.00 O ATOM 0 H SER A 4 -3.228 7.953 10.224 1.00 0.00 H new ATOM 0 HA SER A 4 -3.166 10.015 8.148 1.00 0.00 H new ATOM 0 HB2 SER A 4 -0.560 9.499 9.214 1.00 0.00 H new ATOM 0 HB3 SER A 4 -1.551 10.928 9.431 1.00 0.00 H new ATOM 0 HG SER A 4 -1.018 9.915 11.449 1.00 0.00 H new ATOM 64 N CYS A 5 -1.258 8.976 6.718 1.00 0.00 N ATOM 65 CA CYS A 5 -0.554 8.310 5.632 1.00 0.00 C ATOM 66 C CYS A 5 0.856 8.902 5.510 1.00 0.00 C ATOM 67 O CYS A 5 1.179 9.868 6.201 1.00 0.00 O ATOM 68 CB CYS A 5 -1.400 8.449 4.350 1.00 0.00 C ATOM 69 SG CYS A 5 -0.544 9.072 2.890 1.00 0.00 S ATOM 0 H CYS A 5 -1.149 9.990 6.715 1.00 0.00 H new ATOM 0 HA CYS A 5 -0.425 7.244 5.820 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -1.819 7.472 4.110 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -2.238 9.112 4.564 1.00 0.00 H new ATOM 0 HG CYS A 5 -1.233 10.041 2.364 1.00 0.00 H new ATOM 74 N SER A 6 1.704 8.322 4.662 1.00 0.00 N ATOM 75 CA SER A 6 3.069 8.817 4.513 1.00 0.00 C ATOM 76 C SER A 6 3.071 10.185 3.864 1.00 0.00 C ATOM 77 O SER A 6 3.744 11.109 4.321 1.00 0.00 O ATOM 78 CB SER A 6 3.905 7.845 3.684 1.00 0.00 C ATOM 79 OG SER A 6 5.265 8.242 3.667 1.00 0.00 O ATOM 0 H SER A 6 1.473 7.520 4.076 1.00 0.00 H new ATOM 0 HA SER A 6 3.510 8.900 5.506 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.820 6.840 4.097 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.520 7.804 2.665 1.00 0.00 H new ATOM 0 HG SER A 6 5.818 7.531 4.052 1.00 0.00 H new ATOM 85 N ALA A 7 2.306 10.301 2.793 1.00 0.00 N ATOM 86 CA ALA A 7 2.197 11.559 2.056 1.00 0.00 C ATOM 87 C ALA A 7 1.997 12.739 3.007 1.00 0.00 C ATOM 88 O ALA A 7 0.985 12.826 3.703 1.00 0.00 O ATOM 89 CB ALA A 7 1.061 11.484 1.047 1.00 0.00 C ATOM 0 H ALA A 7 1.747 9.539 2.409 1.00 0.00 H new ATOM 0 HA ALA A 7 3.131 11.719 1.518 1.00 0.00 H new ATOM 0 HB1 ALA A 7 0.992 12.428 0.506 1.00 0.00 H new ATOM 0 HB2 ALA A 7 1.253 10.675 0.342 1.00 0.00 H new ATOM 0 HB3 ALA A 7 0.123 11.296 1.569 1.00 0.00 H new ATOM 95 N TYR A 8 2.976 13.639 3.037 1.00 0.00 N ATOM 96 CA TYR A 8 2.927 14.814 3.908 1.00 0.00 C ATOM 97 C TYR A 8 1.589 15.542 3.800 1.00 0.00 C ATOM 98 O TYR A 8 1.139 15.878 2.704 1.00 0.00 O ATOM 99 CB TYR A 8 4.066 15.772 3.559 1.00 0.00 C ATOM 100 CG TYR A 8 4.224 16.910 4.541 1.00 0.00 C ATOM 101 CD1 TYR A 8 4.703 16.684 5.825 1.00 0.00 C ATOM 102 CD2 TYR A 8 3.890 18.210 4.184 1.00 0.00 C ATOM 103 CE1 TYR A 8 4.847 17.723 6.726 1.00 0.00 C ATOM 104 CE2 TYR A 8 4.031 19.254 5.079 1.00 0.00 C ATOM 105 CZ TYR A 8 4.510 19.005 6.348 1.00 0.00 C ATOM 106 OH TYR A 8 4.650 20.042 7.242 1.00 0.00 O ATOM 0 H TYR A 8 3.818 13.578 2.465 1.00 0.00 H new ATOM 0 HA TYR A 8 3.039 14.469 4.936 1.00 0.00 H new ATOM 0 HB2 TYR A 8 5.000 15.211 3.513 1.00 0.00 H new ATOM 0 HB3 TYR A 8 3.892 16.183 2.565 1.00 0.00 H new ATOM 0 HD1 TYR A 8 4.967 15.681 6.125 1.00 0.00 H new ATOM 0 HD2 TYR A 8 3.514 18.408 3.191 1.00 0.00 H new ATOM 0 HE1 TYR A 8 5.222 17.531 7.721 1.00 0.00 H new ATOM 0 HE2 TYR A 8 3.767 20.260 4.786 1.00 0.00 H new ATOM 0 HH TYR A 8 4.370 20.880 6.818 1.00 0.00 H new ATOM 116 N GLY A 9 0.960 15.786 4.951 1.00 0.00 N ATOM 117 CA GLY A 9 -0.319 16.478 4.980 1.00 0.00 C ATOM 118 C GLY A 9 -1.276 15.981 3.921 1.00 0.00 C ATOM 119 O GLY A 9 -1.774 16.754 3.104 1.00 0.00 O ATOM 0 H GLY A 9 1.317 15.515 5.867 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -0.774 16.352 5.963 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -0.153 17.546 4.841 1.00 0.00 H new ATOM 123 N CYS A 10 -1.518 14.686 3.934 1.00 0.00 N ATOM 124 CA CYS A 10 -2.404 14.061 2.973 1.00 0.00 C ATOM 125 C CYS A 10 -3.872 14.318 3.325 1.00 0.00 C ATOM 126 O CYS A 10 -4.198 14.641 4.467 1.00 0.00 O ATOM 127 CB CYS A 10 -2.112 12.564 2.913 1.00 0.00 C ATOM 128 SG CYS A 10 -2.912 11.727 1.532 1.00 0.00 S ATOM 0 H CYS A 10 -1.108 14.039 4.608 1.00 0.00 H new ATOM 0 HA CYS A 10 -2.225 14.500 1.991 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -1.035 12.415 2.842 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -2.437 12.101 3.845 1.00 0.00 H new ATOM 0 HG CYS A 10 -3.074 10.470 1.821 1.00 0.00 H new ATOM 133 N LYS A 11 -4.749 14.186 2.330 1.00 0.00 N ATOM 134 CA LYS A 11 -6.181 14.418 2.523 1.00 0.00 C ATOM 135 C LYS A 11 -6.904 13.161 2.998 1.00 0.00 C ATOM 136 O LYS A 11 -8.080 13.209 3.360 1.00 0.00 O ATOM 137 CB LYS A 11 -6.811 14.911 1.220 1.00 0.00 C ATOM 138 CG LYS A 11 -7.867 15.980 1.422 1.00 0.00 C ATOM 139 CD LYS A 11 -7.243 17.361 1.424 1.00 0.00 C ATOM 140 CE LYS A 11 -8.216 18.411 1.938 1.00 0.00 C ATOM 141 NZ LYS A 11 -8.385 18.337 3.416 1.00 0.00 N ATOM 0 H LYS A 11 -4.492 13.919 1.380 1.00 0.00 H new ATOM 0 HA LYS A 11 -6.288 15.178 3.297 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -6.027 15.305 0.573 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -7.258 14.064 0.699 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -8.613 15.915 0.630 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -8.387 15.810 2.365 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -6.348 17.356 2.047 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -6.927 17.620 0.414 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -7.858 19.403 1.663 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -9.184 18.276 1.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -8.932 19.158 3.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -8.891 17.463 3.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -7.451 18.338 3.873 1.00 0.00 H new ATOM 155 N ASN A 12 -6.193 12.043 2.991 1.00 0.00 N ATOM 156 CA ASN A 12 -6.734 10.759 3.411 1.00 0.00 C ATOM 157 C ASN A 12 -7.648 10.872 4.628 1.00 0.00 C ATOM 158 O ASN A 12 -7.593 11.847 5.377 1.00 0.00 O ATOM 159 CB ASN A 12 -5.585 9.828 3.744 1.00 0.00 C ATOM 160 CG ASN A 12 -4.910 10.204 5.046 1.00 0.00 C ATOM 161 OD1 ASN A 12 -5.218 11.230 5.653 1.00 0.00 O ATOM 162 ND2 ASN A 12 -3.979 9.380 5.473 1.00 0.00 N ATOM 0 H ASN A 12 -5.219 12.001 2.692 1.00 0.00 H new ATOM 0 HA ASN A 12 -7.334 10.372 2.587 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -5.955 8.805 3.810 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -4.853 9.851 2.936 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -3.480 9.580 6.340 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -3.756 8.541 4.938 1.00 0.00 H new ATOM 169 N ARG A 13 -8.466 9.846 4.827 1.00 0.00 N ATOM 170 CA ARG A 13 -9.375 9.804 5.973 1.00 0.00 C ATOM 171 C ARG A 13 -10.052 8.445 6.106 1.00 0.00 C ATOM 172 O ARG A 13 -10.831 8.042 5.244 1.00 0.00 O ATOM 173 CB ARG A 13 -10.435 10.903 5.878 1.00 0.00 C ATOM 174 CG ARG A 13 -10.820 11.277 4.452 1.00 0.00 C ATOM 175 CD ARG A 13 -11.574 12.599 4.401 1.00 0.00 C ATOM 176 NE ARG A 13 -12.633 12.586 3.396 1.00 0.00 N ATOM 177 CZ ARG A 13 -13.818 12.006 3.574 1.00 0.00 C ATOM 178 NH1 ARG A 13 -14.100 11.393 4.718 1.00 0.00 N ATOM 179 NH2 ARG A 13 -14.723 12.037 2.606 1.00 0.00 N ATOM 0 H ARG A 13 -8.521 9.033 4.214 1.00 0.00 H new ATOM 0 HA ARG A 13 -8.769 9.974 6.863 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -11.329 10.577 6.410 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -10.067 11.793 6.388 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -9.922 11.347 3.839 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -11.438 10.488 4.023 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -12.006 12.808 5.380 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -10.876 13.407 4.181 1.00 0.00 H new ATOM 0 HE ARG A 13 -12.454 13.049 2.505 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -13.407 11.365 5.466 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -15.010 10.950 4.849 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -14.511 12.505 1.725 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -15.631 11.593 2.742 1.00 0.00 H new ATOM 193 N TYR A 14 -9.757 7.745 7.200 1.00 0.00 N ATOM 194 CA TYR A 14 -10.344 6.437 7.447 1.00 0.00 C ATOM 195 C TYR A 14 -11.791 6.569 7.907 1.00 0.00 C ATOM 196 O TYR A 14 -12.082 6.503 9.102 1.00 0.00 O ATOM 197 CB TYR A 14 -9.523 5.695 8.498 1.00 0.00 C ATOM 198 CG TYR A 14 -9.952 4.260 8.700 1.00 0.00 C ATOM 199 CD1 TYR A 14 -9.400 3.237 7.940 1.00 0.00 C ATOM 200 CD2 TYR A 14 -10.908 3.928 9.651 1.00 0.00 C ATOM 201 CE1 TYR A 14 -9.789 1.924 8.121 1.00 0.00 C ATOM 202 CE2 TYR A 14 -11.302 2.616 9.840 1.00 0.00 C ATOM 203 CZ TYR A 14 -10.739 1.618 9.072 1.00 0.00 C ATOM 204 OH TYR A 14 -11.128 0.312 9.256 1.00 0.00 O ATOM 0 H TYR A 14 -9.116 8.064 7.926 1.00 0.00 H new ATOM 0 HA TYR A 14 -10.335 5.870 6.516 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -8.473 5.714 8.206 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -9.599 6.225 9.447 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -8.654 3.472 7.195 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -11.351 4.707 10.253 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -9.351 1.141 7.520 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -12.046 2.374 10.584 1.00 0.00 H new ATOM 0 HH TYR A 14 -11.804 0.269 9.964 1.00 0.00 H new ATOM 214 N ASP A 15 -12.697 6.758 6.951 1.00 0.00 N ATOM 215 CA ASP A 15 -14.115 6.902 7.260 1.00 0.00 C ATOM 216 C ASP A 15 -14.930 5.777 6.631 1.00 0.00 C ATOM 217 O ASP A 15 -14.540 5.214 5.606 1.00 0.00 O ATOM 218 CB ASP A 15 -14.631 8.253 6.769 1.00 0.00 C ATOM 219 CG ASP A 15 -15.965 8.623 7.386 1.00 0.00 C ATOM 220 OD1 ASP A 15 -15.975 9.068 8.553 1.00 0.00 O ATOM 221 OD2 ASP A 15 -16.998 8.468 6.703 1.00 0.00 O ATOM 0 H ASP A 15 -12.474 6.815 5.957 1.00 0.00 H new ATOM 0 HA ASP A 15 -14.229 6.847 8.343 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -13.899 9.025 7.004 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -14.731 8.228 5.684 1.00 0.00 H new ATOM 226 N LYS A 16 -16.062 5.456 7.246 1.00 0.00 N ATOM 227 CA LYS A 16 -16.932 4.398 6.739 1.00 0.00 C ATOM 228 C LYS A 16 -17.428 4.730 5.337 1.00 0.00 C ATOM 229 O LYS A 16 -17.732 3.839 4.545 1.00 0.00 O ATOM 230 CB LYS A 16 -18.123 4.182 7.678 1.00 0.00 C ATOM 231 CG LYS A 16 -19.103 5.348 7.707 1.00 0.00 C ATOM 232 CD LYS A 16 -19.422 5.780 9.131 1.00 0.00 C ATOM 233 CE LYS A 16 -19.913 7.220 9.183 1.00 0.00 C ATOM 234 NZ LYS A 16 -19.018 8.140 8.430 1.00 0.00 N ATOM 0 H LYS A 16 -16.400 5.911 8.094 1.00 0.00 H new ATOM 0 HA LYS A 16 -16.349 3.478 6.693 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -18.655 3.280 7.374 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -17.751 4.007 8.687 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -18.683 6.190 7.157 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -20.024 5.062 7.199 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -20.182 5.121 9.550 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -18.532 5.676 9.751 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -20.920 7.275 8.770 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -19.976 7.545 10.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -18.831 8.988 9.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -18.120 7.658 8.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -19.476 8.418 7.539 1.00 0.00 H new ATOM 248 N ASP A 17 -17.504 6.019 5.043 1.00 0.00 N ATOM 249 CA ASP A 17 -17.957 6.488 3.744 1.00 0.00 C ATOM 250 C ASP A 17 -16.808 6.483 2.745 1.00 0.00 C ATOM 251 O ASP A 17 -16.893 5.868 1.683 1.00 0.00 O ATOM 252 CB ASP A 17 -18.523 7.900 3.876 1.00 0.00 C ATOM 253 CG ASP A 17 -20.013 7.954 3.600 1.00 0.00 C ATOM 254 OD1 ASP A 17 -20.755 7.133 4.179 1.00 0.00 O ATOM 255 OD2 ASP A 17 -20.439 8.818 2.804 1.00 0.00 O ATOM 0 H ASP A 17 -17.255 6.764 5.694 1.00 0.00 H new ATOM 0 HA ASP A 17 -18.736 5.817 3.381 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -18.329 8.274 4.881 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -18.004 8.563 3.184 1.00 0.00 H new ATOM 260 N LYS A 18 -15.735 7.177 3.101 1.00 0.00 N ATOM 261 CA LYS A 18 -14.557 7.264 2.249 1.00 0.00 C ATOM 262 C LYS A 18 -13.886 5.898 2.106 1.00 0.00 C ATOM 263 O LYS A 18 -13.314 5.380 3.066 1.00 0.00 O ATOM 264 CB LYS A 18 -13.566 8.268 2.838 1.00 0.00 C ATOM 265 CG LYS A 18 -12.369 8.542 1.943 1.00 0.00 C ATOM 266 CD LYS A 18 -12.532 9.842 1.172 1.00 0.00 C ATOM 267 CE LYS A 18 -12.901 9.589 -0.282 1.00 0.00 C ATOM 268 NZ LYS A 18 -11.900 8.726 -0.970 1.00 0.00 N ATOM 0 H LYS A 18 -15.657 7.690 3.979 1.00 0.00 H new ATOM 0 HA LYS A 18 -14.871 7.599 1.260 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -14.085 9.206 3.032 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -13.212 7.895 3.799 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -11.464 8.589 2.549 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -12.241 7.717 1.243 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -13.304 10.451 1.643 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -11.604 10.412 1.218 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -13.882 9.116 -0.330 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -12.981 10.541 -0.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -11.855 8.982 -1.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -10.965 8.864 -0.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -12.180 7.729 -0.878 1.00 0.00 H new ATOM 282 N PRO A 19 -13.954 5.282 0.909 1.00 0.00 N ATOM 283 CA PRO A 19 -13.358 3.964 0.656 1.00 0.00 C ATOM 284 C PRO A 19 -11.840 3.986 0.546 1.00 0.00 C ATOM 285 O PRO A 19 -11.241 3.186 -0.173 1.00 0.00 O ATOM 286 CB PRO A 19 -13.950 3.573 -0.685 1.00 0.00 C ATOM 287 CG PRO A 19 -14.188 4.883 -1.365 1.00 0.00 C ATOM 288 CD PRO A 19 -14.632 5.804 -0.290 1.00 0.00 C ATOM 0 HA PRO A 19 -13.569 3.279 1.477 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -13.267 2.944 -1.256 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -14.876 3.011 -0.565 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -13.280 5.248 -1.846 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -14.946 4.791 -2.143 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -14.343 6.834 -0.499 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -15.716 5.794 -0.175 1.00 0.00 H new ATOM 296 N VAL A 20 -11.237 4.904 1.256 1.00 0.00 N ATOM 297 CA VAL A 20 -9.792 5.064 1.258 1.00 0.00 C ATOM 298 C VAL A 20 -9.116 4.057 2.188 1.00 0.00 C ATOM 299 O VAL A 20 -9.197 4.167 3.411 1.00 0.00 O ATOM 300 CB VAL A 20 -9.406 6.498 1.671 1.00 0.00 C ATOM 301 CG1 VAL A 20 -9.758 6.763 3.126 1.00 0.00 C ATOM 302 CG2 VAL A 20 -7.929 6.753 1.414 1.00 0.00 C ATOM 0 H VAL A 20 -11.729 5.568 1.854 1.00 0.00 H new ATOM 0 HA VAL A 20 -9.443 4.877 0.243 1.00 0.00 H new ATOM 0 HB VAL A 20 -9.982 7.191 1.058 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -9.474 7.782 3.389 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -10.831 6.636 3.270 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -9.221 6.061 3.764 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -7.678 7.771 1.713 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -7.332 6.048 1.992 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -7.717 6.623 0.353 1.00 0.00 H new ATOM 312 N SER A 21 -8.447 3.073 1.596 1.00 0.00 N ATOM 313 CA SER A 21 -7.753 2.046 2.364 1.00 0.00 C ATOM 314 C SER A 21 -6.305 2.452 2.624 1.00 0.00 C ATOM 315 O SER A 21 -5.782 3.364 1.983 1.00 0.00 O ATOM 316 CB SER A 21 -7.793 0.708 1.626 1.00 0.00 C ATOM 317 OG SER A 21 -7.905 0.899 0.227 1.00 0.00 O ATOM 0 H SER A 21 -8.371 2.965 0.585 1.00 0.00 H new ATOM 0 HA SER A 21 -8.263 1.938 3.321 1.00 0.00 H new ATOM 0 HB2 SER A 21 -6.889 0.140 1.847 1.00 0.00 H new ATOM 0 HB3 SER A 21 -8.636 0.117 1.984 1.00 0.00 H new ATOM 0 HG SER A 21 -7.927 0.028 -0.221 1.00 0.00 H new ATOM 323 N PHE A 22 -5.665 1.774 3.570 1.00 0.00 N ATOM 324 CA PHE A 22 -4.279 2.069 3.917 1.00 0.00 C ATOM 325 C PHE A 22 -3.412 0.816 3.812 1.00 0.00 C ATOM 326 O PHE A 22 -3.891 -0.300 4.009 1.00 0.00 O ATOM 327 CB PHE A 22 -4.219 2.658 5.326 1.00 0.00 C ATOM 328 CG PHE A 22 -4.694 4.086 5.383 1.00 0.00 C ATOM 329 CD1 PHE A 22 -5.998 4.410 5.040 1.00 0.00 C ATOM 330 CD2 PHE A 22 -3.834 5.103 5.759 1.00 0.00 C ATOM 331 CE1 PHE A 22 -6.433 5.723 5.070 1.00 0.00 C ATOM 332 CE2 PHE A 22 -4.266 6.416 5.796 1.00 0.00 C ATOM 333 CZ PHE A 22 -5.567 6.728 5.449 1.00 0.00 C ATOM 0 H PHE A 22 -6.083 1.017 4.110 1.00 0.00 H new ATOM 0 HA PHE A 22 -3.885 2.800 3.211 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -4.828 2.050 5.995 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -3.194 2.606 5.693 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -6.682 3.628 4.746 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -2.814 4.869 6.026 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -7.450 5.961 4.797 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -3.586 7.199 6.097 1.00 0.00 H new ATOM 0 HZ PHE A 22 -5.904 7.754 5.474 1.00 0.00 H new ATOM 343 N HIS A 23 -2.136 1.007 3.480 1.00 0.00 N ATOM 344 CA HIS A 23 -1.210 -0.115 3.326 1.00 0.00 C ATOM 345 C HIS A 23 0.172 0.208 3.895 1.00 0.00 C ATOM 346 O HIS A 23 0.791 1.197 3.517 1.00 0.00 O ATOM 347 CB HIS A 23 -1.079 -0.478 1.846 1.00 0.00 C ATOM 348 CG HIS A 23 -2.375 -0.411 1.099 1.00 0.00 C ATOM 349 ND1 HIS A 23 -2.985 -1.515 0.541 1.00 0.00 N ATOM 350 CD2 HIS A 23 -3.180 0.641 0.826 1.00 0.00 C ATOM 351 CE1 HIS A 23 -4.111 -1.143 -0.045 1.00 0.00 C ATOM 352 NE2 HIS A 23 -4.251 0.160 0.115 1.00 0.00 N ATOM 0 H HIS A 23 -1.721 1.924 3.313 1.00 0.00 H new ATOM 0 HA HIS A 23 -1.616 -0.959 3.884 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -0.363 0.196 1.376 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -0.671 -1.485 1.762 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -3.011 1.668 1.114 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -4.798 -1.794 -0.565 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -5.030 0.719 -0.234 1.00 0.00 H new ATOM 361 N LYS A 24 0.659 -0.646 4.790 1.00 0.00 N ATOM 362 CA LYS A 24 1.978 -0.459 5.396 1.00 0.00 C ATOM 363 C LYS A 24 3.082 -0.730 4.378 1.00 0.00 C ATOM 364 O LYS A 24 2.854 -1.420 3.384 1.00 0.00 O ATOM 365 CB LYS A 24 2.144 -1.389 6.600 1.00 0.00 C ATOM 366 CG LYS A 24 1.526 -0.848 7.879 1.00 0.00 C ATOM 367 CD LYS A 24 2.537 -0.798 9.014 1.00 0.00 C ATOM 368 CE LYS A 24 2.339 0.436 9.879 1.00 0.00 C ATOM 369 NZ LYS A 24 3.235 0.431 11.069 1.00 0.00 N ATOM 0 H LYS A 24 0.162 -1.476 5.113 1.00 0.00 H new ATOM 0 HA LYS A 24 2.057 0.576 5.730 1.00 0.00 H new ATOM 0 HB2 LYS A 24 1.692 -2.353 6.368 1.00 0.00 H new ATOM 0 HB3 LYS A 24 3.206 -1.567 6.767 1.00 0.00 H new ATOM 0 HG2 LYS A 24 1.132 0.152 7.698 1.00 0.00 H new ATOM 0 HG3 LYS A 24 0.683 -1.475 8.170 1.00 0.00 H new ATOM 0 HD2 LYS A 24 2.442 -1.694 9.628 1.00 0.00 H new ATOM 0 HD3 LYS A 24 3.547 -0.799 8.604 1.00 0.00 H new ATOM 0 HE2 LYS A 24 2.530 1.330 9.285 1.00 0.00 H new ATOM 0 HE3 LYS A 24 1.301 0.487 10.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 2.821 1.023 11.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 3.343 -0.543 11.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 4.167 0.809 10.804 1.00 0.00 H new ATOM 383 N PHE A 25 4.280 -0.195 4.622 1.00 0.00 N ATOM 384 CA PHE A 25 5.392 -0.411 3.702 1.00 0.00 C ATOM 385 C PHE A 25 5.691 -1.901 3.581 1.00 0.00 C ATOM 386 O PHE A 25 5.773 -2.612 4.582 1.00 0.00 O ATOM 387 CB PHE A 25 6.634 0.383 4.121 1.00 0.00 C ATOM 388 CG PHE A 25 6.945 1.503 3.159 1.00 0.00 C ATOM 389 CD1 PHE A 25 6.331 2.738 3.294 1.00 0.00 C ATOM 390 CD2 PHE A 25 7.831 1.309 2.108 1.00 0.00 C ATOM 391 CE1 PHE A 25 6.597 3.763 2.399 1.00 0.00 C ATOM 392 CE2 PHE A 25 8.096 2.328 1.208 1.00 0.00 C ATOM 393 CZ PHE A 25 7.479 3.557 1.354 1.00 0.00 C ATOM 0 H PHE A 25 4.501 0.381 5.435 1.00 0.00 H new ATOM 0 HA PHE A 25 5.101 -0.040 2.719 1.00 0.00 H new ATOM 0 HB2 PHE A 25 6.480 0.795 5.118 1.00 0.00 H new ATOM 0 HB3 PHE A 25 7.490 -0.289 4.182 1.00 0.00 H new ATOM 0 HD1 PHE A 25 5.638 2.904 4.105 1.00 0.00 H new ATOM 0 HD2 PHE A 25 8.319 0.353 1.991 1.00 0.00 H new ATOM 0 HE1 PHE A 25 6.115 4.722 2.518 1.00 0.00 H new ATOM 0 HE2 PHE A 25 8.784 2.163 0.392 1.00 0.00 H new ATOM 0 HZ PHE A 25 7.685 4.353 0.654 1.00 0.00 H new ATOM 403 N PRO A 26 5.808 -2.399 2.340 1.00 0.00 N ATOM 404 CA PRO A 26 6.038 -3.814 2.066 1.00 0.00 C ATOM 405 C PRO A 26 7.512 -4.198 1.994 1.00 0.00 C ATOM 406 O PRO A 26 8.373 -3.364 1.712 1.00 0.00 O ATOM 407 CB PRO A 26 5.378 -3.952 0.702 1.00 0.00 C ATOM 408 CG PRO A 26 5.740 -2.686 0.016 1.00 0.00 C ATOM 409 CD PRO A 26 5.673 -1.627 1.083 1.00 0.00 C ATOM 0 HA PRO A 26 5.649 -4.464 2.850 1.00 0.00 H new ATOM 0 HB2 PRO A 26 5.750 -4.823 0.162 1.00 0.00 H new ATOM 0 HB3 PRO A 26 4.298 -4.068 0.788 1.00 0.00 H new ATOM 0 HG2 PRO A 26 6.738 -2.745 -0.419 1.00 0.00 H new ATOM 0 HG3 PRO A 26 5.050 -2.468 -0.799 1.00 0.00 H new ATOM 0 HD2 PRO A 26 6.473 -0.895 0.973 1.00 0.00 H new ATOM 0 HD3 PRO A 26 4.732 -1.079 1.047 1.00 0.00 H new ATOM 417 N LEU A 27 7.787 -5.476 2.245 1.00 0.00 N ATOM 418 CA LEU A 27 9.141 -5.997 2.208 1.00 0.00 C ATOM 419 C LEU A 27 9.326 -6.946 1.024 1.00 0.00 C ATOM 420 O LEU A 27 10.425 -7.071 0.482 1.00 0.00 O ATOM 421 CB LEU A 27 9.472 -6.720 3.516 1.00 0.00 C ATOM 422 CG LEU A 27 8.721 -8.038 3.739 1.00 0.00 C ATOM 423 CD1 LEU A 27 9.698 -9.170 4.021 1.00 0.00 C ATOM 424 CD2 LEU A 27 7.722 -7.898 4.879 1.00 0.00 C ATOM 0 H LEU A 27 7.078 -6.172 2.478 1.00 0.00 H new ATOM 0 HA LEU A 27 9.824 -5.156 2.087 1.00 0.00 H new ATOM 0 HB2 LEU A 27 10.543 -6.921 3.541 1.00 0.00 H new ATOM 0 HB3 LEU A 27 9.254 -6.051 4.348 1.00 0.00 H new ATOM 0 HG LEU A 27 8.172 -8.278 2.828 1.00 0.00 H new ATOM 0 HD11 LEU A 27 9.146 -10.097 4.177 1.00 0.00 H new ATOM 0 HD12 LEU A 27 10.373 -9.288 3.173 1.00 0.00 H new ATOM 0 HD13 LEU A 27 10.276 -8.938 4.915 1.00 0.00 H new ATOM 0 HD21 LEU A 27 7.199 -8.843 5.022 1.00 0.00 H new ATOM 0 HD22 LEU A 27 8.250 -7.633 5.795 1.00 0.00 H new ATOM 0 HD23 LEU A 27 7.001 -7.117 4.637 1.00 0.00 H new ATOM 436 N THR A 28 8.242 -7.606 0.623 1.00 0.00 N ATOM 437 CA THR A 28 8.282 -8.535 -0.500 1.00 0.00 C ATOM 438 C THR A 28 8.597 -7.790 -1.791 1.00 0.00 C ATOM 439 O THR A 28 9.159 -8.356 -2.727 1.00 0.00 O ATOM 440 CB THR A 28 6.948 -9.271 -0.631 1.00 0.00 C ATOM 441 OG1 THR A 28 5.875 -8.351 -0.723 1.00 0.00 O ATOM 442 CG2 THR A 28 6.658 -10.198 0.530 1.00 0.00 C ATOM 0 H THR A 28 7.325 -7.514 1.060 1.00 0.00 H new ATOM 0 HA THR A 28 9.068 -9.267 -0.315 1.00 0.00 H new ATOM 0 HB THR A 28 7.036 -9.868 -1.538 1.00 0.00 H new ATOM 0 HG1 THR A 28 5.035 -8.806 -0.505 1.00 0.00 H new ATOM 0 HG21 THR A 28 5.697 -10.688 0.373 1.00 0.00 H new ATOM 0 HG22 THR A 28 7.443 -10.952 0.599 1.00 0.00 H new ATOM 0 HG23 THR A 28 6.625 -9.623 1.455 1.00 0.00 H new ATOM 450 N ARG A 29 8.226 -6.515 -1.821 1.00 0.00 N ATOM 451 CA ARG A 29 8.456 -5.659 -2.968 1.00 0.00 C ATOM 452 C ARG A 29 9.572 -4.667 -2.645 1.00 0.00 C ATOM 453 O ARG A 29 9.319 -3.643 -2.020 1.00 0.00 O ATOM 454 CB ARG A 29 7.148 -4.935 -3.286 1.00 0.00 C ATOM 455 CG ARG A 29 7.239 -4.001 -4.472 1.00 0.00 C ATOM 456 CD ARG A 29 7.077 -2.560 -4.033 1.00 0.00 C ATOM 457 NE ARG A 29 5.713 -2.074 -4.257 1.00 0.00 N ATOM 458 CZ ARG A 29 5.389 -0.932 -4.889 1.00 0.00 C ATOM 459 NH1 ARG A 29 6.317 -0.065 -5.307 1.00 0.00 N ATOM 460 NH2 ARG A 29 4.115 -0.650 -5.083 1.00 0.00 N ATOM 0 H ARG A 29 7.756 -6.049 -1.045 1.00 0.00 H new ATOM 0 HA ARG A 29 8.766 -6.241 -3.836 1.00 0.00 H new ATOM 0 HB2 ARG A 29 6.371 -5.675 -3.477 1.00 0.00 H new ATOM 0 HB3 ARG A 29 6.837 -4.366 -2.410 1.00 0.00 H new ATOM 0 HG2 ARG A 29 8.201 -4.129 -4.969 1.00 0.00 H new ATOM 0 HG3 ARG A 29 6.468 -4.253 -5.200 1.00 0.00 H new ATOM 0 HD2 ARG A 29 7.325 -2.472 -2.975 1.00 0.00 H new ATOM 0 HD3 ARG A 29 7.781 -1.932 -4.579 1.00 0.00 H new ATOM 0 HE ARG A 29 4.947 -2.648 -3.905 1.00 0.00 H new ATOM 0 HH11 ARG A 29 7.306 -0.261 -5.150 1.00 0.00 H new ATOM 0 HH12 ARG A 29 6.036 0.792 -5.783 1.00 0.00 H new ATOM 0 HH21 ARG A 29 3.395 -1.294 -4.756 1.00 0.00 H new ATOM 0 HH22 ARG A 29 3.850 0.212 -5.560 1.00 0.00 H new ATOM 474 N PRO A 30 10.835 -4.988 -3.021 1.00 0.00 N ATOM 475 CA PRO A 30 12.004 -4.150 -2.733 1.00 0.00 C ATOM 476 C PRO A 30 12.400 -3.168 -3.844 1.00 0.00 C ATOM 477 O PRO A 30 12.232 -1.961 -3.691 1.00 0.00 O ATOM 478 CB PRO A 30 13.084 -5.187 -2.524 1.00 0.00 C ATOM 479 CG PRO A 30 12.716 -6.335 -3.418 1.00 0.00 C ATOM 480 CD PRO A 30 11.235 -6.223 -3.717 1.00 0.00 C ATOM 0 HA PRO A 30 11.815 -3.485 -1.890 1.00 0.00 H new ATOM 0 HB2 PRO A 30 14.066 -4.789 -2.781 1.00 0.00 H new ATOM 0 HB3 PRO A 30 13.130 -5.501 -1.481 1.00 0.00 H new ATOM 0 HG2 PRO A 30 13.297 -6.304 -4.340 1.00 0.00 H new ATOM 0 HG3 PRO A 30 12.938 -7.285 -2.933 1.00 0.00 H new ATOM 0 HD2 PRO A 30 11.046 -6.159 -4.789 1.00 0.00 H new ATOM 0 HD3 PRO A 30 10.685 -7.088 -3.347 1.00 0.00 H new ATOM 488 N SER A 31 12.934 -3.667 -4.960 1.00 0.00 N ATOM 489 CA SER A 31 13.337 -2.785 -6.058 1.00 0.00 C ATOM 490 C SER A 31 12.184 -1.875 -6.424 1.00 0.00 C ATOM 491 O SER A 31 12.307 -0.649 -6.447 1.00 0.00 O ATOM 492 CB SER A 31 13.777 -3.602 -7.274 1.00 0.00 C ATOM 493 OG SER A 31 13.087 -4.838 -7.335 1.00 0.00 O ATOM 0 H SER A 31 13.096 -4.660 -5.127 1.00 0.00 H new ATOM 0 HA SER A 31 14.184 -2.180 -5.733 1.00 0.00 H new ATOM 0 HB2 SER A 31 13.591 -3.033 -8.185 1.00 0.00 H new ATOM 0 HB3 SER A 31 14.851 -3.783 -7.225 1.00 0.00 H new ATOM 0 HG SER A 31 13.385 -5.340 -8.122 1.00 0.00 H new ATOM 499 N LEU A 32 11.048 -2.500 -6.645 1.00 0.00 N ATOM 500 CA LEU A 32 9.824 -1.794 -6.950 1.00 0.00 C ATOM 501 C LEU A 32 9.514 -0.835 -5.804 1.00 0.00 C ATOM 502 O LEU A 32 8.983 0.256 -6.001 1.00 0.00 O ATOM 503 CB LEU A 32 8.705 -2.803 -7.097 1.00 0.00 C ATOM 504 CG LEU A 32 7.314 -2.219 -7.331 1.00 0.00 C ATOM 505 CD1 LEU A 32 7.368 -1.023 -8.266 1.00 0.00 C ATOM 506 CD2 LEU A 32 6.401 -3.277 -7.898 1.00 0.00 C ATOM 0 H LEU A 32 10.948 -3.515 -6.618 1.00 0.00 H new ATOM 0 HA LEU A 32 9.926 -1.230 -7.877 1.00 0.00 H new ATOM 0 HB2 LEU A 32 8.945 -3.466 -7.928 1.00 0.00 H new ATOM 0 HB3 LEU A 32 8.674 -3.418 -6.197 1.00 0.00 H new ATOM 0 HG LEU A 32 6.923 -1.879 -6.372 1.00 0.00 H new ATOM 0 HD11 LEU A 32 6.362 -0.630 -8.413 1.00 0.00 H new ATOM 0 HD12 LEU A 32 8.000 -0.249 -7.831 1.00 0.00 H new ATOM 0 HD13 LEU A 32 7.781 -1.331 -9.227 1.00 0.00 H new ATOM 0 HD21 LEU A 32 5.410 -2.853 -8.062 1.00 0.00 H new ATOM 0 HD22 LEU A 32 6.804 -3.636 -8.845 1.00 0.00 H new ATOM 0 HD23 LEU A 32 6.328 -4.108 -7.197 1.00 0.00 H new ATOM 518 N CYS A 33 9.860 -1.275 -4.591 1.00 0.00 N ATOM 519 CA CYS A 33 9.637 -0.491 -3.379 1.00 0.00 C ATOM 520 C CYS A 33 10.230 0.901 -3.502 1.00 0.00 C ATOM 521 O CYS A 33 9.714 1.859 -2.930 1.00 0.00 O ATOM 522 CB CYS A 33 10.263 -1.192 -2.182 1.00 0.00 C ATOM 523 SG CYS A 33 9.451 -0.838 -0.606 1.00 0.00 S ATOM 0 H CYS A 33 10.300 -2.180 -4.425 1.00 0.00 H new ATOM 0 HA CYS A 33 8.560 -0.400 -3.239 1.00 0.00 H new ATOM 0 HB2 CYS A 33 10.243 -2.268 -2.354 1.00 0.00 H new ATOM 0 HB3 CYS A 33 11.311 -0.900 -2.111 1.00 0.00 H new ATOM 0 HG CYS A 33 9.163 -1.955 -0.006 1.00 0.00 H new ATOM 529 N LYS A 34 11.310 1.016 -4.264 1.00 0.00 N ATOM 530 CA LYS A 34 11.950 2.299 -4.471 1.00 0.00 C ATOM 531 C LYS A 34 10.887 3.285 -4.919 1.00 0.00 C ATOM 532 O LYS A 34 10.870 4.447 -4.514 1.00 0.00 O ATOM 533 CB LYS A 34 13.068 2.169 -5.525 1.00 0.00 C ATOM 534 CG LYS A 34 13.514 3.495 -6.127 1.00 0.00 C ATOM 535 CD LYS A 34 14.437 3.290 -7.323 1.00 0.00 C ATOM 536 CE LYS A 34 13.777 2.475 -8.430 1.00 0.00 C ATOM 537 NZ LYS A 34 13.584 3.279 -9.669 1.00 0.00 N ATOM 0 H LYS A 34 11.757 0.236 -4.746 1.00 0.00 H new ATOM 0 HA LYS A 34 12.411 2.652 -3.548 1.00 0.00 H new ATOM 0 HB2 LYS A 34 13.929 1.683 -5.067 1.00 0.00 H new ATOM 0 HB3 LYS A 34 12.722 1.516 -6.327 1.00 0.00 H new ATOM 0 HG2 LYS A 34 12.639 4.067 -6.437 1.00 0.00 H new ATOM 0 HG3 LYS A 34 14.028 4.085 -5.368 1.00 0.00 H new ATOM 0 HD2 LYS A 34 14.736 4.261 -7.719 1.00 0.00 H new ATOM 0 HD3 LYS A 34 15.346 2.785 -6.996 1.00 0.00 H new ATOM 0 HE2 LYS A 34 14.391 1.603 -8.655 1.00 0.00 H new ATOM 0 HE3 LYS A 34 12.812 2.105 -8.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 13.133 2.690 -10.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 12.977 4.098 -9.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 14.507 3.611 -10.015 1.00 0.00 H new ATOM 551 N GLU A 35 9.973 2.777 -5.732 1.00 0.00 N ATOM 552 CA GLU A 35 8.872 3.554 -6.234 1.00 0.00 C ATOM 553 C GLU A 35 8.084 4.134 -5.083 1.00 0.00 C ATOM 554 O GLU A 35 7.691 5.303 -5.092 1.00 0.00 O ATOM 555 CB GLU A 35 7.962 2.671 -7.087 1.00 0.00 C ATOM 556 CG GLU A 35 8.687 2.054 -8.253 1.00 0.00 C ATOM 557 CD GLU A 35 7.759 1.676 -9.390 1.00 0.00 C ATOM 558 OE1 GLU A 35 6.680 2.292 -9.501 1.00 0.00 O ATOM 559 OE2 GLU A 35 8.115 0.768 -10.170 1.00 0.00 O ATOM 0 H GLU A 35 9.982 1.810 -6.058 1.00 0.00 H new ATOM 0 HA GLU A 35 9.261 4.367 -6.846 1.00 0.00 H new ATOM 0 HB2 GLU A 35 7.541 1.881 -6.465 1.00 0.00 H new ATOM 0 HB3 GLU A 35 7.126 3.265 -7.456 1.00 0.00 H new ATOM 0 HG2 GLU A 35 9.437 2.755 -8.620 1.00 0.00 H new ATOM 0 HG3 GLU A 35 9.220 1.165 -7.914 1.00 0.00 H new ATOM 566 N TRP A 36 7.887 3.301 -4.074 1.00 0.00 N ATOM 567 CA TRP A 36 7.158 3.711 -2.887 1.00 0.00 C ATOM 568 C TRP A 36 7.835 4.907 -2.257 1.00 0.00 C ATOM 569 O TRP A 36 7.167 5.805 -1.741 1.00 0.00 O ATOM 570 CB TRP A 36 7.005 2.568 -1.907 1.00 0.00 C ATOM 571 CG TRP A 36 5.702 1.848 -2.046 1.00 0.00 C ATOM 572 CD1 TRP A 36 5.083 1.454 -3.194 1.00 0.00 C ATOM 573 CD2 TRP A 36 4.850 1.457 -0.979 1.00 0.00 C ATOM 574 NE1 TRP A 36 3.899 0.819 -2.894 1.00 0.00 N ATOM 575 CE2 TRP A 36 3.740 0.809 -1.529 1.00 0.00 C ATOM 576 CE3 TRP A 36 4.926 1.586 0.396 1.00 0.00 C ATOM 577 CZ2 TRP A 36 2.717 0.296 -0.725 1.00 0.00 C ATOM 578 CZ3 TRP A 36 3.911 1.082 1.164 1.00 0.00 C ATOM 579 CH2 TRP A 36 2.834 0.447 0.610 1.00 0.00 C ATOM 0 H TRP A 36 8.222 2.338 -4.054 1.00 0.00 H new ATOM 0 HA TRP A 36 6.150 4.004 -3.180 1.00 0.00 H new ATOM 0 HB2 TRP A 36 7.822 1.861 -2.052 1.00 0.00 H new ATOM 0 HB3 TRP A 36 7.094 2.953 -0.891 1.00 0.00 H new ATOM 0 HD1 TRP A 36 5.465 1.616 -4.191 1.00 0.00 H new ATOM 0 HE1 TRP A 36 3.248 0.422 -3.572 1.00 0.00 H new ATOM 0 HE3 TRP A 36 5.772 2.076 0.856 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 1.863 -0.204 -1.158 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 3.962 1.189 2.237 1.00 0.00 H new ATOM 0 HH2 TRP A 36 2.060 0.058 1.256 1.00 0.00 H new ATOM 590 N GLU A 37 9.160 4.960 -2.351 1.00 0.00 N ATOM 591 CA GLU A 37 9.887 6.101 -1.820 1.00 0.00 C ATOM 592 C GLU A 37 9.304 7.380 -2.394 1.00 0.00 C ATOM 593 O GLU A 37 9.099 8.367 -1.684 1.00 0.00 O ATOM 594 CB GLU A 37 11.367 5.991 -2.171 1.00 0.00 C ATOM 595 CG GLU A 37 12.014 4.716 -1.663 1.00 0.00 C ATOM 596 CD GLU A 37 13.363 4.961 -1.017 1.00 0.00 C ATOM 597 OE1 GLU A 37 13.494 5.959 -0.277 1.00 0.00 O ATOM 598 OE2 GLU A 37 14.289 4.155 -1.251 1.00 0.00 O ATOM 0 H GLU A 37 9.740 4.240 -2.782 1.00 0.00 H new ATOM 0 HA GLU A 37 9.791 6.117 -0.734 1.00 0.00 H new ATOM 0 HB2 GLU A 37 11.481 6.041 -3.254 1.00 0.00 H new ATOM 0 HB3 GLU A 37 11.896 6.849 -1.755 1.00 0.00 H new ATOM 0 HG2 GLU A 37 11.351 4.240 -0.940 1.00 0.00 H new ATOM 0 HG3 GLU A 37 12.134 4.019 -2.492 1.00 0.00 H new ATOM 605 N ALA A 38 9.002 7.333 -3.682 1.00 0.00 N ATOM 606 CA ALA A 38 8.408 8.472 -4.362 1.00 0.00 C ATOM 607 C ALA A 38 7.053 8.774 -3.756 1.00 0.00 C ATOM 608 O ALA A 38 6.667 9.931 -3.592 1.00 0.00 O ATOM 609 CB ALA A 38 8.283 8.202 -5.853 1.00 0.00 C ATOM 0 H ALA A 38 9.158 6.519 -4.277 1.00 0.00 H new ATOM 0 HA ALA A 38 9.055 9.340 -4.234 1.00 0.00 H new ATOM 0 HB1 ALA A 38 7.836 9.067 -6.343 1.00 0.00 H new ATOM 0 HB2 ALA A 38 9.272 8.017 -6.273 1.00 0.00 H new ATOM 0 HB3 ALA A 38 7.652 7.328 -6.013 1.00 0.00 H new ATOM 615 N ALA A 39 6.354 7.711 -3.391 1.00 0.00 N ATOM 616 CA ALA A 39 5.048 7.815 -2.766 1.00 0.00 C ATOM 617 C ALA A 39 5.102 8.760 -1.579 1.00 0.00 C ATOM 618 O ALA A 39 4.096 9.355 -1.195 1.00 0.00 O ATOM 619 CB ALA A 39 4.579 6.440 -2.317 1.00 0.00 C ATOM 0 H ALA A 39 6.677 6.752 -3.520 1.00 0.00 H new ATOM 0 HA ALA A 39 4.342 8.213 -3.494 1.00 0.00 H new ATOM 0 HB1 ALA A 39 3.598 6.525 -1.849 1.00 0.00 H new ATOM 0 HB2 ALA A 39 4.513 5.778 -3.181 1.00 0.00 H new ATOM 0 HB3 ALA A 39 5.289 6.030 -1.599 1.00 0.00 H new ATOM 625 N VAL A 40 6.286 8.874 -0.986 1.00 0.00 N ATOM 626 CA VAL A 40 6.468 9.725 0.171 1.00 0.00 C ATOM 627 C VAL A 40 6.833 11.152 -0.229 1.00 0.00 C ATOM 628 O VAL A 40 6.107 12.093 0.087 1.00 0.00 O ATOM 629 CB VAL A 40 7.546 9.136 1.109 1.00 0.00 C ATOM 630 CG1 VAL A 40 7.917 10.102 2.227 1.00 0.00 C ATOM 631 CG2 VAL A 40 7.073 7.808 1.680 1.00 0.00 C ATOM 0 H VAL A 40 7.128 8.387 -1.291 1.00 0.00 H new ATOM 0 HA VAL A 40 5.518 9.765 0.703 1.00 0.00 H new ATOM 0 HB VAL A 40 8.446 8.969 0.518 1.00 0.00 H new ATOM 0 HG11 VAL A 40 8.677 9.648 2.863 1.00 0.00 H new ATOM 0 HG12 VAL A 40 8.307 11.024 1.796 1.00 0.00 H new ATOM 0 HG13 VAL A 40 7.032 10.326 2.823 1.00 0.00 H new ATOM 0 HG21 VAL A 40 7.840 7.402 2.339 1.00 0.00 H new ATOM 0 HG22 VAL A 40 6.153 7.962 2.244 1.00 0.00 H new ATOM 0 HG23 VAL A 40 6.886 7.108 0.866 1.00 0.00 H new ATOM 641 N ARG A 41 7.962 11.306 -0.918 1.00 0.00 N ATOM 642 CA ARG A 41 8.432 12.623 -1.362 1.00 0.00 C ATOM 643 C ARG A 41 8.994 13.449 -0.200 1.00 0.00 C ATOM 644 O ARG A 41 9.685 14.445 -0.417 1.00 0.00 O ATOM 645 CB ARG A 41 7.294 13.398 -2.056 1.00 0.00 C ATOM 646 CG ARG A 41 7.671 14.814 -2.471 1.00 0.00 C ATOM 647 CD ARG A 41 7.481 15.800 -1.328 1.00 0.00 C ATOM 648 NE ARG A 41 6.594 16.902 -1.697 1.00 0.00 N ATOM 649 CZ ARG A 41 5.264 16.832 -1.658 1.00 0.00 C ATOM 650 NH1 ARG A 41 4.661 15.715 -1.271 1.00 0.00 N ATOM 651 NH2 ARG A 41 4.536 17.884 -2.007 1.00 0.00 N ATOM 0 H ARG A 41 8.573 10.533 -1.183 1.00 0.00 H new ATOM 0 HA ARG A 41 9.239 12.455 -2.075 1.00 0.00 H new ATOM 0 HB2 ARG A 41 6.977 12.844 -2.940 1.00 0.00 H new ATOM 0 HB3 ARG A 41 6.437 13.444 -1.384 1.00 0.00 H new ATOM 0 HG2 ARG A 41 8.710 14.833 -2.800 1.00 0.00 H new ATOM 0 HG3 ARG A 41 7.061 15.119 -3.321 1.00 0.00 H new ATOM 0 HD2 ARG A 41 7.071 15.278 -0.464 1.00 0.00 H new ATOM 0 HD3 ARG A 41 8.450 16.199 -1.029 1.00 0.00 H new ATOM 0 HE ARG A 41 7.019 17.777 -2.003 1.00 0.00 H new ATOM 0 HH11 ARG A 41 5.216 14.903 -1.001 1.00 0.00 H new ATOM 0 HH12 ARG A 41 3.642 15.668 -1.244 1.00 0.00 H new ATOM 0 HH21 ARG A 41 4.994 18.745 -2.305 1.00 0.00 H new ATOM 0 HH22 ARG A 41 3.518 17.832 -1.978 1.00 0.00 H new ATOM 665 N ARG A 42 8.704 13.034 1.031 1.00 0.00 N ATOM 666 CA ARG A 42 9.186 13.738 2.215 1.00 0.00 C ATOM 667 C ARG A 42 10.593 13.274 2.578 1.00 0.00 C ATOM 668 O ARG A 42 11.257 12.604 1.786 1.00 0.00 O ATOM 669 CB ARG A 42 8.229 13.496 3.391 1.00 0.00 C ATOM 670 CG ARG A 42 7.384 14.707 3.760 1.00 0.00 C ATOM 671 CD ARG A 42 8.227 15.820 4.359 1.00 0.00 C ATOM 672 NE ARG A 42 8.792 16.695 3.335 1.00 0.00 N ATOM 673 CZ ARG A 42 9.713 17.624 3.580 1.00 0.00 C ATOM 674 NH1 ARG A 42 10.173 17.803 4.812 1.00 0.00 N ATOM 675 NH2 ARG A 42 10.175 18.376 2.591 1.00 0.00 N ATOM 0 H ARG A 42 8.136 12.211 1.234 1.00 0.00 H new ATOM 0 HA ARG A 42 9.221 14.805 1.997 1.00 0.00 H new ATOM 0 HB2 ARG A 42 7.567 12.666 3.143 1.00 0.00 H new ATOM 0 HB3 ARG A 42 8.809 13.192 4.262 1.00 0.00 H new ATOM 0 HG2 ARG A 42 6.871 15.077 2.872 1.00 0.00 H new ATOM 0 HG3 ARG A 42 6.614 14.410 4.472 1.00 0.00 H new ATOM 0 HD2 ARG A 42 7.615 16.410 5.042 1.00 0.00 H new ATOM 0 HD3 ARG A 42 9.034 15.385 4.949 1.00 0.00 H new ATOM 0 HE ARG A 42 8.461 16.588 2.376 1.00 0.00 H new ATOM 0 HH11 ARG A 42 9.821 17.227 5.577 1.00 0.00 H new ATOM 0 HH12 ARG A 42 10.879 18.516 4.994 1.00 0.00 H new ATOM 0 HH21 ARG A 42 9.825 18.243 1.642 1.00 0.00 H new ATOM 0 HH22 ARG A 42 10.881 19.088 2.779 1.00 0.00 H new ATOM 689 N LYS A 43 11.043 13.631 3.777 1.00 0.00 N ATOM 690 CA LYS A 43 12.370 13.246 4.246 1.00 0.00 C ATOM 691 C LYS A 43 12.549 11.729 4.180 1.00 0.00 C ATOM 692 O LYS A 43 11.723 11.027 3.601 1.00 0.00 O ATOM 693 CB LYS A 43 12.583 13.740 5.679 1.00 0.00 C ATOM 694 CG LYS A 43 11.537 13.233 6.659 1.00 0.00 C ATOM 695 CD LYS A 43 12.102 12.163 7.580 1.00 0.00 C ATOM 696 CE LYS A 43 11.104 11.037 7.807 1.00 0.00 C ATOM 697 NZ LYS A 43 10.613 11.006 9.212 1.00 0.00 N ATOM 0 H LYS A 43 10.507 14.188 4.443 1.00 0.00 H new ATOM 0 HA LYS A 43 13.113 13.707 3.596 1.00 0.00 H new ATOM 0 HB2 LYS A 43 13.570 13.427 6.020 1.00 0.00 H new ATOM 0 HB3 LYS A 43 12.575 14.830 5.684 1.00 0.00 H new ATOM 0 HG2 LYS A 43 11.163 14.065 7.255 1.00 0.00 H new ATOM 0 HG3 LYS A 43 10.688 12.828 6.108 1.00 0.00 H new ATOM 0 HD2 LYS A 43 13.017 11.757 7.149 1.00 0.00 H new ATOM 0 HD3 LYS A 43 12.371 12.610 8.537 1.00 0.00 H new ATOM 0 HE2 LYS A 43 10.259 11.159 7.130 1.00 0.00 H new ATOM 0 HE3 LYS A 43 11.572 10.083 7.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 9.693 10.522 9.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 11.296 10.496 9.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 10.506 11.979 9.564 1.00 0.00 H new ATOM 711 N ASN A 44 13.634 11.234 4.768 1.00 0.00 N ATOM 712 CA ASN A 44 13.921 9.796 4.767 1.00 0.00 C ATOM 713 C ASN A 44 12.755 8.993 5.358 1.00 0.00 C ATOM 714 O ASN A 44 12.811 8.592 6.519 1.00 0.00 O ATOM 715 CB ASN A 44 15.209 9.468 5.548 1.00 0.00 C ATOM 716 CG ASN A 44 15.765 10.639 6.339 1.00 0.00 C ATOM 717 OD1 ASN A 44 15.926 11.741 5.812 1.00 0.00 O ATOM 718 ND2 ASN A 44 16.065 10.405 7.612 1.00 0.00 N ATOM 0 H ASN A 44 14.330 11.802 5.251 1.00 0.00 H new ATOM 0 HA ASN A 44 14.061 9.510 3.724 1.00 0.00 H new ATOM 0 HB2 ASN A 44 15.007 8.644 6.232 1.00 0.00 H new ATOM 0 HB3 ASN A 44 15.969 9.122 4.847 1.00 0.00 H new ATOM 0 HD21 ASN A 44 16.444 11.153 8.192 1.00 0.00 H new ATOM 0 HD22 ASN A 44 15.916 9.477 8.009 1.00 0.00 H new ATOM 725 N PHE A 45 11.707 8.756 4.549 1.00 0.00 N ATOM 726 CA PHE A 45 10.525 7.992 4.968 1.00 0.00 C ATOM 727 C PHE A 45 10.839 6.996 6.082 1.00 0.00 C ATOM 728 O PHE A 45 11.132 5.830 5.822 1.00 0.00 O ATOM 729 CB PHE A 45 9.933 7.243 3.762 1.00 0.00 C ATOM 730 CG PHE A 45 10.878 6.252 3.116 1.00 0.00 C ATOM 731 CD1 PHE A 45 12.238 6.251 3.405 1.00 0.00 C ATOM 732 CD2 PHE A 45 10.399 5.323 2.206 1.00 0.00 C ATOM 733 CE1 PHE A 45 13.092 5.349 2.805 1.00 0.00 C ATOM 734 CE2 PHE A 45 11.250 4.415 1.603 1.00 0.00 C ATOM 735 CZ PHE A 45 12.598 4.428 1.902 1.00 0.00 C ATOM 0 H PHE A 45 11.659 9.090 3.587 1.00 0.00 H new ATOM 0 HA PHE A 45 9.802 8.707 5.361 1.00 0.00 H new ATOM 0 HB2 PHE A 45 9.035 6.714 4.083 1.00 0.00 H new ATOM 0 HB3 PHE A 45 9.623 7.972 3.013 1.00 0.00 H new ATOM 0 HD1 PHE A 45 12.632 6.968 4.110 1.00 0.00 H new ATOM 0 HD2 PHE A 45 9.346 5.308 1.964 1.00 0.00 H new ATOM 0 HE1 PHE A 45 14.146 5.363 3.041 1.00 0.00 H new ATOM 0 HE2 PHE A 45 10.860 3.696 0.898 1.00 0.00 H new ATOM 0 HZ PHE A 45 13.264 3.720 1.431 1.00 0.00 H new ATOM 745 N LYS A 46 10.771 7.470 7.318 1.00 0.00 N ATOM 746 CA LYS A 46 11.045 6.631 8.483 1.00 0.00 C ATOM 747 C LYS A 46 9.896 5.649 8.723 1.00 0.00 C ATOM 748 O LYS A 46 8.798 6.050 9.111 1.00 0.00 O ATOM 749 CB LYS A 46 11.263 7.514 9.721 1.00 0.00 C ATOM 750 CG LYS A 46 11.894 6.798 10.911 1.00 0.00 C ATOM 751 CD LYS A 46 12.152 7.760 12.060 1.00 0.00 C ATOM 752 CE LYS A 46 13.298 8.712 11.750 1.00 0.00 C ATOM 753 NZ LYS A 46 14.618 8.131 12.116 1.00 0.00 N ATOM 0 H LYS A 46 10.528 8.435 7.543 1.00 0.00 H new ATOM 0 HA LYS A 46 11.951 6.054 8.295 1.00 0.00 H new ATOM 0 HB2 LYS A 46 11.897 8.356 9.443 1.00 0.00 H new ATOM 0 HB3 LYS A 46 10.303 7.927 10.030 1.00 0.00 H new ATOM 0 HG2 LYS A 46 11.237 5.996 11.246 1.00 0.00 H new ATOM 0 HG3 LYS A 46 12.832 6.335 10.604 1.00 0.00 H new ATOM 0 HD2 LYS A 46 11.248 8.333 12.265 1.00 0.00 H new ATOM 0 HD3 LYS A 46 12.382 7.195 12.963 1.00 0.00 H new ATOM 0 HE2 LYS A 46 13.291 8.955 10.687 1.00 0.00 H new ATOM 0 HE3 LYS A 46 13.150 9.646 12.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 15.372 8.811 11.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 14.635 7.923 13.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 14.771 7.253 11.580 1.00 0.00 H new ATOM 767 N PRO A 47 10.126 4.344 8.469 1.00 0.00 N ATOM 768 CA PRO A 47 9.105 3.287 8.627 1.00 0.00 C ATOM 769 C PRO A 47 8.531 3.154 10.043 1.00 0.00 C ATOM 770 O PRO A 47 7.678 2.303 10.295 1.00 0.00 O ATOM 771 CB PRO A 47 9.870 2.019 8.258 1.00 0.00 C ATOM 772 CG PRO A 47 10.880 2.515 7.314 1.00 0.00 C ATOM 773 CD PRO A 47 11.385 3.772 7.966 1.00 0.00 C ATOM 0 HA PRO A 47 8.231 3.503 8.013 1.00 0.00 H new ATOM 0 HB2 PRO A 47 10.326 1.553 9.131 1.00 0.00 H new ATOM 0 HB3 PRO A 47 9.220 1.273 7.801 1.00 0.00 H new ATOM 0 HG2 PRO A 47 11.681 1.790 7.166 1.00 0.00 H new ATOM 0 HG3 PRO A 47 10.448 2.717 6.334 1.00 0.00 H new ATOM 0 HD2 PRO A 47 12.095 3.566 8.767 1.00 0.00 H new ATOM 0 HD3 PRO A 47 11.886 4.433 7.258 1.00 0.00 H new ATOM 781 N THR A 48 9.010 3.974 10.963 1.00 0.00 N ATOM 782 CA THR A 48 8.557 3.930 12.351 1.00 0.00 C ATOM 783 C THR A 48 7.062 4.215 12.463 1.00 0.00 C ATOM 784 O THR A 48 6.320 3.468 13.100 1.00 0.00 O ATOM 785 CB THR A 48 9.330 4.963 13.170 1.00 0.00 C ATOM 786 OG1 THR A 48 8.899 4.964 14.519 1.00 0.00 O ATOM 787 CG2 THR A 48 9.165 6.365 12.629 1.00 0.00 C ATOM 0 H THR A 48 9.718 4.684 10.776 1.00 0.00 H new ATOM 0 HA THR A 48 8.741 2.926 12.734 1.00 0.00 H new ATOM 0 HB THR A 48 10.379 4.675 13.103 1.00 0.00 H new ATOM 0 HG1 THR A 48 9.408 5.631 15.025 1.00 0.00 H new ATOM 0 HG21 THR A 48 9.733 7.062 13.245 1.00 0.00 H new ATOM 0 HG22 THR A 48 9.532 6.405 11.603 1.00 0.00 H new ATOM 0 HG23 THR A 48 8.111 6.641 12.648 1.00 0.00 H new ATOM 795 N LYS A 49 6.637 5.310 11.850 1.00 0.00 N ATOM 796 CA LYS A 49 5.242 5.725 11.881 1.00 0.00 C ATOM 797 C LYS A 49 4.713 5.940 10.470 1.00 0.00 C ATOM 798 O LYS A 49 3.521 5.777 10.209 1.00 0.00 O ATOM 799 CB LYS A 49 5.101 7.013 12.684 1.00 0.00 C ATOM 800 CG LYS A 49 4.955 6.780 14.177 1.00 0.00 C ATOM 801 CD LYS A 49 3.545 7.092 14.666 1.00 0.00 C ATOM 802 CE LYS A 49 2.490 6.187 14.035 1.00 0.00 C ATOM 803 NZ LYS A 49 1.768 5.385 15.061 1.00 0.00 N ATOM 0 H LYS A 49 7.246 5.933 11.320 1.00 0.00 H new ATOM 0 HA LYS A 49 4.659 4.936 12.355 1.00 0.00 H new ATOM 0 HB2 LYS A 49 5.974 7.641 12.505 1.00 0.00 H new ATOM 0 HB3 LYS A 49 4.233 7.564 12.323 1.00 0.00 H new ATOM 0 HG2 LYS A 49 5.198 5.743 14.408 1.00 0.00 H new ATOM 0 HG3 LYS A 49 5.671 7.402 14.713 1.00 0.00 H new ATOM 0 HD2 LYS A 49 3.509 6.985 15.750 1.00 0.00 H new ATOM 0 HD3 LYS A 49 3.308 8.132 14.440 1.00 0.00 H new ATOM 0 HE2 LYS A 49 1.776 6.794 13.478 1.00 0.00 H new ATOM 0 HE3 LYS A 49 2.966 5.518 13.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 1.060 4.783 14.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 2.446 4.788 15.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 1.293 6.024 15.730 1.00 0.00 H new ATOM 817 N TYR A 50 5.608 6.326 9.570 1.00 0.00 N ATOM 818 CA TYR A 50 5.239 6.588 8.192 1.00 0.00 C ATOM 819 C TYR A 50 5.196 5.317 7.348 1.00 0.00 C ATOM 820 O TYR A 50 4.678 5.347 6.236 1.00 0.00 O ATOM 821 CB TYR A 50 6.195 7.609 7.574 1.00 0.00 C ATOM 822 CG TYR A 50 6.132 8.958 8.256 1.00 0.00 C ATOM 823 CD1 TYR A 50 4.921 9.471 8.708 1.00 0.00 C ATOM 824 CD2 TYR A 50 7.280 9.714 8.457 1.00 0.00 C ATOM 825 CE1 TYR A 50 4.856 10.696 9.340 1.00 0.00 C ATOM 826 CE2 TYR A 50 7.222 10.942 9.090 1.00 0.00 C ATOM 827 CZ TYR A 50 6.009 11.427 9.531 1.00 0.00 C ATOM 828 OH TYR A 50 5.948 12.649 10.161 1.00 0.00 O ATOM 0 H TYR A 50 6.598 6.464 9.774 1.00 0.00 H new ATOM 0 HA TYR A 50 4.229 6.998 8.200 1.00 0.00 H new ATOM 0 HB2 TYR A 50 7.214 7.226 7.630 1.00 0.00 H new ATOM 0 HB3 TYR A 50 5.957 7.730 6.517 1.00 0.00 H new ATOM 0 HD1 TYR A 50 4.016 8.901 8.562 1.00 0.00 H new ATOM 0 HD2 TYR A 50 8.232 9.337 8.114 1.00 0.00 H new ATOM 0 HE1 TYR A 50 3.907 11.080 9.683 1.00 0.00 H new ATOM 0 HE2 TYR A 50 8.123 11.519 9.238 1.00 0.00 H new ATOM 0 HH TYR A 50 6.848 13.034 10.217 1.00 0.00 H new ATOM 838 N SER A 51 5.741 4.207 7.863 1.00 0.00 N ATOM 839 CA SER A 51 5.740 2.937 7.113 1.00 0.00 C ATOM 840 C SER A 51 4.332 2.550 6.636 1.00 0.00 C ATOM 841 O SER A 51 3.786 1.530 7.057 1.00 0.00 O ATOM 842 CB SER A 51 6.292 1.795 7.972 1.00 0.00 C ATOM 843 OG SER A 51 5.596 1.700 9.202 1.00 0.00 O ATOM 0 H SER A 51 6.183 4.158 8.781 1.00 0.00 H new ATOM 0 HA SER A 51 6.377 3.093 6.243 1.00 0.00 H new ATOM 0 HB2 SER A 51 6.207 0.854 7.429 1.00 0.00 H new ATOM 0 HB3 SER A 51 7.353 1.959 8.162 1.00 0.00 H new ATOM 0 HG SER A 51 6.179 1.996 9.932 1.00 0.00 H new ATOM 849 N SER A 52 3.753 3.357 5.753 1.00 0.00 N ATOM 850 CA SER A 52 2.422 3.083 5.221 1.00 0.00 C ATOM 851 C SER A 52 2.033 4.111 4.171 1.00 0.00 C ATOM 852 O SER A 52 2.539 5.229 4.163 1.00 0.00 O ATOM 853 CB SER A 52 1.383 3.062 6.343 1.00 0.00 C ATOM 854 OG SER A 52 1.340 4.307 7.019 1.00 0.00 O ATOM 0 H SER A 52 4.185 4.207 5.390 1.00 0.00 H new ATOM 0 HA SER A 52 2.449 2.100 4.750 1.00 0.00 H new ATOM 0 HB2 SER A 52 0.400 2.835 5.929 1.00 0.00 H new ATOM 0 HB3 SER A 52 1.623 2.268 7.050 1.00 0.00 H new ATOM 0 HG SER A 52 0.667 4.270 7.731 1.00 0.00 H new ATOM 860 N ILE A 53 1.137 3.716 3.282 1.00 0.00 N ATOM 861 CA ILE A 53 0.674 4.579 2.215 1.00 0.00 C ATOM 862 C ILE A 53 -0.842 4.479 2.118 1.00 0.00 C ATOM 863 O ILE A 53 -1.422 3.479 2.540 1.00 0.00 O ATOM 864 CB ILE A 53 1.296 4.132 0.878 1.00 0.00 C ATOM 865 CG1 ILE A 53 2.815 3.912 1.022 1.00 0.00 C ATOM 866 CG2 ILE A 53 0.980 5.101 -0.266 1.00 0.00 C ATOM 867 CD1 ILE A 53 3.650 5.174 1.047 1.00 0.00 C ATOM 0 H ILE A 53 0.712 2.789 3.282 1.00 0.00 H new ATOM 0 HA ILE A 53 0.968 5.607 2.425 1.00 0.00 H new ATOM 0 HB ILE A 53 0.837 3.179 0.616 1.00 0.00 H new ATOM 0 HG12 ILE A 53 3.000 3.355 1.941 1.00 0.00 H new ATOM 0 HG13 ILE A 53 3.155 3.287 0.196 1.00 0.00 H new ATOM 0 HG21 ILE A 53 1.441 4.741 -1.186 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -0.100 5.164 -0.402 1.00 0.00 H new ATOM 0 HG23 ILE A 53 1.374 6.089 -0.026 1.00 0.00 H new ATOM 0 HD11 ILE A 53 4.703 4.912 1.151 1.00 0.00 H new ATOM 0 HD12 ILE A 53 3.504 5.726 0.118 1.00 0.00 H new ATOM 0 HD13 ILE A 53 3.346 5.795 1.890 1.00 0.00 H new ATOM 879 N CYS A 54 -1.491 5.500 1.572 1.00 0.00 N ATOM 880 CA CYS A 54 -2.938 5.470 1.452 1.00 0.00 C ATOM 881 C CYS A 54 -3.344 5.299 -0.022 1.00 0.00 C ATOM 882 O CYS A 54 -2.550 5.576 -0.921 1.00 0.00 O ATOM 883 CB CYS A 54 -3.541 6.717 2.103 1.00 0.00 C ATOM 884 SG CYS A 54 -3.753 8.130 1.010 1.00 0.00 S ATOM 0 H CYS A 54 -1.045 6.344 1.212 1.00 0.00 H new ATOM 0 HA CYS A 54 -3.340 4.610 1.987 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -4.512 6.454 2.522 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -2.905 7.015 2.936 1.00 0.00 H new ATOM 0 HG CYS A 54 -2.589 8.549 0.611 1.00 0.00 H new ATOM 889 N SER A 55 -4.555 4.788 -0.266 1.00 0.00 N ATOM 890 CA SER A 55 -5.023 4.520 -1.628 1.00 0.00 C ATOM 891 C SER A 55 -5.034 5.756 -2.534 1.00 0.00 C ATOM 892 O SER A 55 -4.780 5.647 -3.731 1.00 0.00 O ATOM 893 CB SER A 55 -6.421 3.900 -1.591 1.00 0.00 C ATOM 894 OG SER A 55 -7.023 4.070 -0.320 1.00 0.00 O ATOM 0 H SER A 55 -5.228 4.552 0.463 1.00 0.00 H new ATOM 0 HA SER A 55 -4.305 3.823 -2.061 1.00 0.00 H new ATOM 0 HB2 SER A 55 -7.046 4.360 -2.357 1.00 0.00 H new ATOM 0 HB3 SER A 55 -6.357 2.838 -1.827 1.00 0.00 H new ATOM 0 HG SER A 55 -6.478 3.625 0.362 1.00 0.00 H new ATOM 900 N GLU A 56 -5.352 6.920 -1.976 1.00 0.00 N ATOM 901 CA GLU A 56 -5.423 8.150 -2.732 1.00 0.00 C ATOM 902 C GLU A 56 -4.317 8.284 -3.789 1.00 0.00 C ATOM 903 O GLU A 56 -4.493 8.979 -4.790 1.00 0.00 O ATOM 904 CB GLU A 56 -5.373 9.315 -1.759 1.00 0.00 C ATOM 905 CG GLU A 56 -6.482 9.276 -0.733 1.00 0.00 C ATOM 906 CD GLU A 56 -6.889 10.658 -0.261 1.00 0.00 C ATOM 907 OE1 GLU A 56 -6.001 11.423 0.172 1.00 0.00 O ATOM 908 OE2 GLU A 56 -8.096 10.975 -0.321 1.00 0.00 O ATOM 0 H GLU A 56 -5.567 7.029 -0.985 1.00 0.00 H new ATOM 0 HA GLU A 56 -6.361 8.146 -3.288 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -4.411 9.312 -1.246 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -5.434 10.250 -2.317 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -7.349 8.772 -1.160 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -6.159 8.684 0.123 1.00 0.00 H new ATOM 915 N HIS A 57 -3.179 7.634 -3.560 1.00 0.00 N ATOM 916 CA HIS A 57 -2.054 7.706 -4.494 1.00 0.00 C ATOM 917 C HIS A 57 -1.997 6.482 -5.401 1.00 0.00 C ATOM 918 O HIS A 57 -1.511 6.559 -6.529 1.00 0.00 O ATOM 919 CB HIS A 57 -0.744 7.844 -3.706 1.00 0.00 C ATOM 920 CG HIS A 57 -0.880 8.741 -2.532 1.00 0.00 C ATOM 921 ND1 HIS A 57 -1.338 10.040 -2.612 1.00 0.00 N ATOM 922 CD2 HIS A 57 -0.671 8.489 -1.227 1.00 0.00 C ATOM 923 CE1 HIS A 57 -1.407 10.546 -1.387 1.00 0.00 C ATOM 924 NE2 HIS A 57 -1.008 9.621 -0.527 1.00 0.00 N ATOM 0 H HIS A 57 -3.010 7.053 -2.739 1.00 0.00 H new ATOM 0 HA HIS A 57 -2.194 8.579 -5.131 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -0.420 6.859 -3.371 1.00 0.00 H new ATOM 0 HB3 HIS A 57 0.034 8.229 -4.365 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -0.305 7.564 -0.806 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -1.733 11.544 -1.134 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -0.959 9.731 0.486 1.00 0.00 H new ATOM 932 N PHE A 58 -2.492 5.355 -4.906 1.00 0.00 N ATOM 933 CA PHE A 58 -2.490 4.120 -5.679 1.00 0.00 C ATOM 934 C PHE A 58 -3.573 4.148 -6.757 1.00 0.00 C ATOM 935 O PHE A 58 -4.504 4.952 -6.688 1.00 0.00 O ATOM 936 CB PHE A 58 -2.708 2.921 -4.757 1.00 0.00 C ATOM 937 CG PHE A 58 -1.465 2.521 -4.026 1.00 0.00 C ATOM 938 CD1 PHE A 58 -0.456 1.835 -4.680 1.00 0.00 C ATOM 939 CD2 PHE A 58 -1.296 2.843 -2.690 1.00 0.00 C ATOM 940 CE1 PHE A 58 0.698 1.478 -4.017 1.00 0.00 C ATOM 941 CE2 PHE A 58 -0.146 2.487 -2.023 1.00 0.00 C ATOM 942 CZ PHE A 58 0.853 1.806 -2.686 1.00 0.00 C ATOM 0 H PHE A 58 -2.899 5.271 -3.975 1.00 0.00 H new ATOM 0 HA PHE A 58 -1.520 4.027 -6.167 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -3.488 3.161 -4.035 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -3.067 2.076 -5.345 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -0.575 1.577 -5.722 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -2.074 3.379 -2.166 1.00 0.00 H new ATOM 0 HE1 PHE A 58 1.479 0.943 -4.538 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -0.026 2.741 -0.980 1.00 0.00 H new ATOM 0 HZ PHE A 58 1.757 1.529 -2.163 1.00 0.00 H new ATOM 952 N THR A 59 -3.455 3.265 -7.747 1.00 0.00 N ATOM 953 CA THR A 59 -4.439 3.197 -8.826 1.00 0.00 C ATOM 954 C THR A 59 -5.728 2.536 -8.343 1.00 0.00 C ATOM 955 O THR A 59 -5.701 1.594 -7.551 1.00 0.00 O ATOM 956 CB THR A 59 -3.889 2.418 -10.028 1.00 0.00 C ATOM 957 OG1 THR A 59 -3.276 1.213 -9.604 1.00 0.00 O ATOM 958 CG2 THR A 59 -2.872 3.179 -10.860 1.00 0.00 C ATOM 0 H THR A 59 -2.693 2.591 -7.825 1.00 0.00 H new ATOM 0 HA THR A 59 -4.653 4.220 -9.136 1.00 0.00 H new ATOM 0 HB THR A 59 -4.761 2.232 -10.655 1.00 0.00 H new ATOM 0 HG1 THR A 59 -2.933 0.729 -10.384 1.00 0.00 H new ATOM 0 HG21 THR A 59 -2.537 2.553 -11.687 1.00 0.00 H new ATOM 0 HG22 THR A 59 -3.330 4.087 -11.254 1.00 0.00 H new ATOM 0 HG23 THR A 59 -2.018 3.444 -10.237 1.00 0.00 H new ATOM 966 N PRO A 60 -6.876 3.026 -8.833 1.00 0.00 N ATOM 967 CA PRO A 60 -8.199 2.492 -8.476 1.00 0.00 C ATOM 968 C PRO A 60 -8.279 0.981 -8.661 1.00 0.00 C ATOM 969 O PRO A 60 -8.916 0.278 -7.876 1.00 0.00 O ATOM 970 CB PRO A 60 -9.128 3.185 -9.476 1.00 0.00 C ATOM 971 CG PRO A 60 -8.437 4.449 -9.799 1.00 0.00 C ATOM 972 CD PRO A 60 -6.975 4.138 -9.789 1.00 0.00 C ATOM 0 HA PRO A 60 -8.446 2.672 -7.430 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -9.280 2.575 -10.367 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -10.112 3.368 -9.044 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -8.749 4.825 -10.773 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -8.676 5.221 -9.068 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -6.617 3.852 -10.778 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -6.383 4.996 -9.472 1.00 0.00 H new ATOM 980 N ASP A 61 -7.639 0.495 -9.718 1.00 0.00 N ATOM 981 CA ASP A 61 -7.642 -0.930 -10.039 1.00 0.00 C ATOM 982 C ASP A 61 -6.913 -1.760 -8.983 1.00 0.00 C ATOM 983 O ASP A 61 -7.121 -2.969 -8.885 1.00 0.00 O ATOM 984 CB ASP A 61 -7.007 -1.165 -11.410 1.00 0.00 C ATOM 985 CG ASP A 61 -7.158 -2.598 -11.880 1.00 0.00 C ATOM 986 OD1 ASP A 61 -8.245 -2.945 -12.387 1.00 0.00 O ATOM 987 OD2 ASP A 61 -6.190 -3.375 -11.739 1.00 0.00 O ATOM 0 H ASP A 61 -7.108 1.070 -10.372 1.00 0.00 H new ATOM 0 HA ASP A 61 -8.683 -1.254 -10.055 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -7.465 -0.497 -12.139 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -5.948 -0.910 -11.365 1.00 0.00 H new ATOM 992 N CYS A 62 -6.057 -1.113 -8.203 1.00 0.00 N ATOM 993 CA CYS A 62 -5.300 -1.801 -7.165 1.00 0.00 C ATOM 994 C CYS A 62 -6.053 -1.802 -5.833 1.00 0.00 C ATOM 995 O CYS A 62 -5.449 -1.940 -4.770 1.00 0.00 O ATOM 996 CB CYS A 62 -3.932 -1.138 -6.999 1.00 0.00 C ATOM 997 SG CYS A 62 -2.808 -2.025 -5.892 1.00 0.00 S ATOM 0 H CYS A 62 -5.869 -0.113 -8.269 1.00 0.00 H new ATOM 0 HA CYS A 62 -5.166 -2.839 -7.471 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -3.463 -1.048 -7.979 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -4.075 -0.126 -6.619 1.00 0.00 H new ATOM 0 HG CYS A 62 -3.454 -2.401 -4.828 1.00 0.00 H new ATOM 1003 N PHE A 63 -7.373 -1.647 -5.894 1.00 0.00 N ATOM 1004 CA PHE A 63 -8.196 -1.630 -4.692 1.00 0.00 C ATOM 1005 C PHE A 63 -9.139 -2.828 -4.660 1.00 0.00 C ATOM 1006 O PHE A 63 -10.243 -2.744 -4.124 1.00 0.00 O ATOM 1007 CB PHE A 63 -9.000 -0.332 -4.635 1.00 0.00 C ATOM 1008 CG PHE A 63 -8.152 0.910 -4.616 1.00 0.00 C ATOM 1009 CD1 PHE A 63 -6.849 0.875 -4.140 1.00 0.00 C ATOM 1010 CD2 PHE A 63 -8.659 2.114 -5.079 1.00 0.00 C ATOM 1011 CE1 PHE A 63 -6.071 2.015 -4.126 1.00 0.00 C ATOM 1012 CE2 PHE A 63 -7.884 3.258 -5.068 1.00 0.00 C ATOM 1013 CZ PHE A 63 -6.589 3.208 -4.591 1.00 0.00 C ATOM 0 H PHE A 63 -7.894 -1.532 -6.763 1.00 0.00 H new ATOM 0 HA PHE A 63 -7.540 -1.689 -3.824 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -9.667 -0.291 -5.496 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -9.629 -0.344 -3.745 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -6.439 -0.055 -3.776 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -9.671 2.159 -5.453 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -5.059 1.974 -3.752 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -8.291 4.190 -5.432 1.00 0.00 H new ATOM 0 HZ PHE A 63 -5.982 4.101 -4.582 1.00 0.00 H new ATOM 1164 N LEU A 72 -1.190 -4.916 -2.406 1.00 0.00 N ATOM 1165 CA LEU A 72 -0.042 -4.133 -2.902 1.00 0.00 C ATOM 1166 C LEU A 72 1.136 -5.022 -3.319 1.00 0.00 C ATOM 1167 O LEU A 72 2.140 -5.123 -2.615 1.00 0.00 O ATOM 1168 CB LEU A 72 0.413 -3.127 -1.835 1.00 0.00 C ATOM 1169 CG LEU A 72 0.955 -3.751 -0.545 1.00 0.00 C ATOM 1170 CD1 LEU A 72 2.222 -3.041 -0.095 1.00 0.00 C ATOM 1171 CD2 LEU A 72 -0.097 -3.706 0.553 1.00 0.00 C ATOM 0 HA LEU A 72 -0.378 -3.600 -3.791 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.186 -2.489 -2.265 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -0.429 -2.482 -1.583 1.00 0.00 H new ATOM 0 HG LEU A 72 1.200 -4.794 -0.748 1.00 0.00 H new ATOM 0 HD11 LEU A 72 2.590 -3.500 0.823 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.982 -3.124 -0.872 1.00 0.00 H new ATOM 0 HD13 LEU A 72 2.004 -1.989 0.088 1.00 0.00 H new ATOM 0 HD21 LEU A 72 0.306 -4.154 1.462 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -0.373 -2.670 0.750 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -0.979 -4.262 0.235 1.00 0.00 H new ATOM 1183 N LYS A 73 0.989 -5.671 -4.471 1.00 0.00 N ATOM 1184 CA LYS A 73 2.014 -6.568 -5.001 1.00 0.00 C ATOM 1185 C LYS A 73 2.848 -5.898 -6.082 1.00 0.00 C ATOM 1186 O LYS A 73 2.773 -4.688 -6.290 1.00 0.00 O ATOM 1187 CB LYS A 73 1.359 -7.835 -5.555 1.00 0.00 C ATOM 1188 CG LYS A 73 1.988 -9.119 -5.036 1.00 0.00 C ATOM 1189 CD LYS A 73 1.998 -9.163 -3.514 1.00 0.00 C ATOM 1190 CE LYS A 73 3.385 -9.471 -2.973 1.00 0.00 C ATOM 1191 NZ LYS A 73 4.303 -8.304 -3.099 1.00 0.00 N ATOM 0 H LYS A 73 0.161 -5.591 -5.061 1.00 0.00 H new ATOM 0 HA LYS A 73 2.684 -6.829 -4.182 1.00 0.00 H new ATOM 0 HB2 LYS A 73 0.300 -7.829 -5.298 1.00 0.00 H new ATOM 0 HB3 LYS A 73 1.423 -7.822 -6.643 1.00 0.00 H new ATOM 0 HG2 LYS A 73 1.437 -9.977 -5.422 1.00 0.00 H new ATOM 0 HG3 LYS A 73 3.009 -9.202 -5.410 1.00 0.00 H new ATOM 0 HD2 LYS A 73 1.657 -8.206 -3.119 1.00 0.00 H new ATOM 0 HD3 LYS A 73 1.295 -9.920 -3.167 1.00 0.00 H new ATOM 0 HE2 LYS A 73 3.310 -9.762 -1.925 1.00 0.00 H new ATOM 0 HE3 LYS A 73 3.804 -10.322 -3.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 5.109 -8.425 -2.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 4.651 -8.240 -4.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 3.791 -7.432 -2.855 1.00 0.00 H new ATOM 1205 N GLU A 74 3.645 -6.714 -6.757 1.00 0.00 N ATOM 1206 CA GLU A 74 4.524 -6.250 -7.834 1.00 0.00 C ATOM 1207 C GLU A 74 3.833 -5.223 -8.728 1.00 0.00 C ATOM 1208 O GLU A 74 4.477 -4.353 -9.307 1.00 0.00 O ATOM 1209 CB GLU A 74 5.000 -7.435 -8.676 1.00 0.00 C ATOM 1210 CG GLU A 74 6.054 -7.066 -9.706 1.00 0.00 C ATOM 1211 CD GLU A 74 7.457 -7.433 -9.263 1.00 0.00 C ATOM 1212 OE1 GLU A 74 7.813 -8.628 -9.347 1.00 0.00 O ATOM 1213 OE2 GLU A 74 8.200 -6.526 -8.833 1.00 0.00 O ATOM 0 H GLU A 74 3.704 -7.716 -6.578 1.00 0.00 H new ATOM 0 HA GLU A 74 5.382 -5.765 -7.369 1.00 0.00 H new ATOM 0 HB2 GLU A 74 5.404 -8.201 -8.014 1.00 0.00 H new ATOM 0 HB3 GLU A 74 4.143 -7.874 -9.187 1.00 0.00 H new ATOM 0 HG2 GLU A 74 5.830 -7.571 -10.646 1.00 0.00 H new ATOM 0 HG3 GLU A 74 6.007 -5.994 -9.900 1.00 0.00 H new ATOM 1220 N ASN A 75 2.519 -5.330 -8.835 1.00 0.00 N ATOM 1221 CA ASN A 75 1.746 -4.402 -9.651 1.00 0.00 C ATOM 1222 C ASN A 75 1.635 -3.052 -8.956 1.00 0.00 C ATOM 1223 O ASN A 75 1.787 -1.999 -9.575 1.00 0.00 O ATOM 1224 CB ASN A 75 0.352 -4.967 -9.919 1.00 0.00 C ATOM 1225 CG ASN A 75 0.391 -6.214 -10.780 1.00 0.00 C ATOM 1226 OD1 ASN A 75 1.157 -6.294 -11.741 1.00 0.00 O ATOM 1227 ND2 ASN A 75 -0.436 -7.196 -10.439 1.00 0.00 N ATOM 0 H ASN A 75 1.964 -6.048 -8.369 1.00 0.00 H new ATOM 0 HA ASN A 75 2.261 -4.267 -10.602 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -0.132 -5.199 -8.970 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -0.257 -4.208 -10.410 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -0.453 -8.060 -10.981 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -1.054 -7.086 -9.635 1.00 0.00 H new ATOM 1234 N ALA A 76 1.356 -3.109 -7.663 1.00 0.00 N ATOM 1235 CA ALA A 76 1.202 -1.929 -6.832 1.00 0.00 C ATOM 1236 C ALA A 76 2.222 -0.848 -7.147 1.00 0.00 C ATOM 1237 O ALA A 76 3.380 -1.133 -7.442 1.00 0.00 O ATOM 1238 CB ALA A 76 1.273 -2.314 -5.365 1.00 0.00 C ATOM 0 H ALA A 76 1.229 -3.986 -7.157 1.00 0.00 H new ATOM 0 HA ALA A 76 0.222 -1.507 -7.054 1.00 0.00 H new ATOM 0 HB1 ALA A 76 1.157 -1.422 -4.749 1.00 0.00 H new ATOM 0 HB2 ALA A 76 0.475 -3.021 -5.135 1.00 0.00 H new ATOM 0 HB3 ALA A 76 2.238 -2.776 -5.156 1.00 0.00 H new ATOM 1244 N VAL A 77 1.760 0.398 -7.080 1.00 0.00 N ATOM 1245 CA VAL A 77 2.594 1.557 -7.357 1.00 0.00 C ATOM 1246 C VAL A 77 1.824 2.846 -7.019 1.00 0.00 C ATOM 1247 O VAL A 77 0.628 2.944 -7.296 1.00 0.00 O ATOM 1248 CB VAL A 77 3.013 1.562 -8.848 1.00 0.00 C ATOM 1249 CG1 VAL A 77 3.246 2.975 -9.370 1.00 0.00 C ATOM 1250 CG2 VAL A 77 4.250 0.708 -9.067 1.00 0.00 C ATOM 0 H VAL A 77 0.798 0.629 -6.832 1.00 0.00 H new ATOM 0 HA VAL A 77 3.491 1.508 -6.740 1.00 0.00 H new ATOM 0 HB VAL A 77 2.186 1.133 -9.413 1.00 0.00 H new ATOM 0 HG11 VAL A 77 3.538 2.932 -10.419 1.00 0.00 H new ATOM 0 HG12 VAL A 77 2.328 3.555 -9.272 1.00 0.00 H new ATOM 0 HG13 VAL A 77 4.039 3.450 -8.792 1.00 0.00 H new ATOM 0 HG21 VAL A 77 4.524 0.728 -10.122 1.00 0.00 H new ATOM 0 HG22 VAL A 77 5.074 1.101 -8.471 1.00 0.00 H new ATOM 0 HG23 VAL A 77 4.041 -0.319 -8.766 1.00 0.00 H new ATOM 1260 N PRO A 78 2.491 3.846 -6.414 1.00 0.00 N ATOM 1261 CA PRO A 78 1.868 5.115 -6.040 1.00 0.00 C ATOM 1262 C PRO A 78 1.947 6.173 -7.143 1.00 0.00 C ATOM 1263 O PRO A 78 2.089 7.359 -6.856 1.00 0.00 O ATOM 1264 CB PRO A 78 2.695 5.541 -4.844 1.00 0.00 C ATOM 1265 CG PRO A 78 4.068 5.030 -5.134 1.00 0.00 C ATOM 1266 CD PRO A 78 3.912 3.825 -6.033 1.00 0.00 C ATOM 0 HA PRO A 78 0.801 5.006 -5.845 1.00 0.00 H new ATOM 0 HB2 PRO A 78 2.692 6.625 -4.726 1.00 0.00 H new ATOM 0 HB3 PRO A 78 2.302 5.118 -3.919 1.00 0.00 H new ATOM 0 HG2 PRO A 78 4.670 5.798 -5.620 1.00 0.00 H new ATOM 0 HG3 PRO A 78 4.581 4.759 -4.211 1.00 0.00 H new ATOM 0 HD2 PRO A 78 4.560 3.892 -6.907 1.00 0.00 H new ATOM 0 HD3 PRO A 78 4.172 2.903 -5.513 1.00 0.00 H new ATOM 1274 N THR A 79 1.872 5.715 -8.394 1.00 0.00 N ATOM 1275 CA THR A 79 1.939 6.567 -9.596 1.00 0.00 C ATOM 1276 C THR A 79 1.956 8.076 -9.311 1.00 0.00 C ATOM 1277 O THR A 79 2.832 8.789 -9.799 1.00 0.00 O ATOM 1278 CB THR A 79 0.763 6.250 -10.522 1.00 0.00 C ATOM 1279 OG1 THR A 79 -0.465 6.612 -9.915 1.00 0.00 O ATOM 1280 CG2 THR A 79 0.672 4.789 -10.902 1.00 0.00 C ATOM 0 H THR A 79 1.761 4.724 -8.610 1.00 0.00 H new ATOM 0 HA THR A 79 2.894 6.332 -10.066 1.00 0.00 H new ATOM 0 HB THR A 79 0.946 6.831 -11.426 1.00 0.00 H new ATOM 0 HG1 THR A 79 -1.205 6.403 -10.523 1.00 0.00 H new ATOM 0 HG21 THR A 79 -0.184 4.637 -11.559 1.00 0.00 H new ATOM 0 HG22 THR A 79 1.584 4.490 -11.419 1.00 0.00 H new ATOM 0 HG23 THR A 79 0.550 4.186 -10.002 1.00 0.00 H new ATOM 1288 N ILE A 80 0.968 8.564 -8.559 1.00 0.00 N ATOM 1289 CA ILE A 80 0.855 9.984 -8.261 1.00 0.00 C ATOM 1290 C ILE A 80 2.206 10.651 -7.970 1.00 0.00 C ATOM 1291 O ILE A 80 2.430 11.795 -8.364 1.00 0.00 O ATOM 1292 CB ILE A 80 -0.124 10.237 -7.109 1.00 0.00 C ATOM 1293 CG1 ILE A 80 -1.529 10.232 -7.687 1.00 0.00 C ATOM 1294 CG2 ILE A 80 0.156 11.566 -6.411 1.00 0.00 C ATOM 1295 CD1 ILE A 80 -2.600 10.444 -6.662 1.00 0.00 C ATOM 0 H ILE A 80 0.233 7.990 -8.146 1.00 0.00 H new ATOM 0 HA ILE A 80 0.462 10.446 -9.167 1.00 0.00 H new ATOM 0 HB ILE A 80 -0.010 9.456 -6.358 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -1.604 11.012 -8.445 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -1.702 9.281 -8.190 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -0.559 11.709 -5.601 1.00 0.00 H new ATOM 0 HG22 ILE A 80 1.168 11.558 -6.005 1.00 0.00 H new ATOM 0 HG23 ILE A 80 0.059 12.381 -7.128 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -3.576 10.428 -7.147 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -2.552 9.650 -5.917 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -2.452 11.408 -6.175 1.00 0.00 H new ATOM 1307 N PHE A 81 3.102 9.943 -7.285 1.00 0.00 N ATOM 1308 CA PHE A 81 4.407 10.494 -6.964 1.00 0.00 C ATOM 1309 C PHE A 81 5.477 9.978 -7.923 1.00 0.00 C ATOM 1310 O PHE A 81 6.564 10.548 -8.015 1.00 0.00 O ATOM 1311 CB PHE A 81 4.808 10.200 -5.510 1.00 0.00 C ATOM 1312 CG PHE A 81 3.795 10.640 -4.496 1.00 0.00 C ATOM 1313 CD1 PHE A 81 2.496 10.170 -4.550 1.00 0.00 C ATOM 1314 CD2 PHE A 81 4.146 11.518 -3.482 1.00 0.00 C ATOM 1315 CE1 PHE A 81 1.564 10.565 -3.619 1.00 0.00 C ATOM 1316 CE2 PHE A 81 3.213 11.915 -2.542 1.00 0.00 C ATOM 1317 CZ PHE A 81 1.920 11.437 -2.612 1.00 0.00 C ATOM 0 H PHE A 81 2.945 8.994 -6.946 1.00 0.00 H new ATOM 0 HA PHE A 81 4.332 11.575 -7.079 1.00 0.00 H new ATOM 0 HB2 PHE A 81 4.975 9.129 -5.400 1.00 0.00 H new ATOM 0 HB3 PHE A 81 5.756 10.694 -5.299 1.00 0.00 H new ATOM 0 HD1 PHE A 81 2.209 9.484 -5.333 1.00 0.00 H new ATOM 0 HD2 PHE A 81 5.157 11.895 -3.426 1.00 0.00 H new ATOM 0 HE1 PHE A 81 0.552 10.192 -3.677 1.00 0.00 H new ATOM 0 HE2 PHE A 81 3.495 12.598 -1.754 1.00 0.00 H new ATOM 0 HZ PHE A 81 1.189 11.745 -1.880 1.00 0.00 H new ATOM 1327 N LEU A 82 5.163 8.903 -8.641 1.00 0.00 N ATOM 1328 CA LEU A 82 6.102 8.327 -9.597 1.00 0.00 C ATOM 1329 C LEU A 82 6.197 9.200 -10.843 1.00 0.00 C ATOM 1330 O LEU A 82 5.206 9.413 -11.541 1.00 0.00 O ATOM 1331 CB LEU A 82 5.665 6.911 -9.980 1.00 0.00 C ATOM 1332 CG LEU A 82 6.633 6.165 -10.900 1.00 0.00 C ATOM 1333 CD1 LEU A 82 7.661 5.398 -10.084 1.00 0.00 C ATOM 1334 CD2 LEU A 82 5.872 5.224 -11.823 1.00 0.00 C ATOM 0 H LEU A 82 4.269 8.415 -8.579 1.00 0.00 H new ATOM 0 HA LEU A 82 7.085 8.279 -9.129 1.00 0.00 H new ATOM 0 HB2 LEU A 82 5.531 6.329 -9.068 1.00 0.00 H new ATOM 0 HB3 LEU A 82 4.692 6.966 -10.468 1.00 0.00 H new ATOM 0 HG LEU A 82 7.159 6.897 -11.513 1.00 0.00 H new ATOM 0 HD11 LEU A 82 8.341 4.874 -10.756 1.00 0.00 H new ATOM 0 HD12 LEU A 82 8.227 6.094 -9.465 1.00 0.00 H new ATOM 0 HD13 LEU A 82 7.153 4.675 -9.445 1.00 0.00 H new ATOM 0 HD21 LEU A 82 6.576 4.701 -12.471 1.00 0.00 H new ATOM 0 HD22 LEU A 82 5.319 4.498 -11.227 1.00 0.00 H new ATOM 0 HD23 LEU A 82 5.175 5.798 -12.433 1.00 0.00 H new