USER MOD reduce.3.24.130724 H: found=0, std=0, add=592, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 593 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 54 ASN : amide:sc=-0.00706 X(o=-0.0071,f=0) USER MOD Set 1.2: A 56 LYS NZ :NH3+ -133:sc= 0 (180deg=-0.212) USER MOD Set 2.1: A 20 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 28 SER OG : rot 100:sc= -0.618 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 122:sc= -0.44 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 CYS SG : rot 108:sc= -2.6! USER MOD Single : A 29 CYS SG : rot 180:sc= 0 USER MOD Single : A 31 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -0.0358 X(o=-0.036,f=0) USER MOD Single : A 51 ASN : amide:sc= -0.199 X(o=-0.2,f=-0.061) USER MOD Single : A 57 LYS NZ :NH3+ -131:sc= -0.717 (180deg=-2.24!) USER MOD Single : A 59 SER OG : rot 180:sc= 0.0311 USER MOD Single : A 60 HIS : no HD1:sc= 0.301 K(o=0.3,f=-2.2) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 CYS SG : rot 90:sc= -2.45 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 76 MET CE :methyl 159:sc= -0.979 (180deg=-1.74!) USER MOD ----------------------------------------------------------------- ATOM 41 N VAL A 3 1.027 -2.192 -14.282 1.00 0.00 N ATOM 42 CA VAL A 3 1.822 -1.978 -13.076 1.00 0.00 C ATOM 43 C VAL A 3 1.953 -0.489 -12.758 1.00 0.00 C ATOM 44 O VAL A 3 2.257 0.320 -13.638 1.00 0.00 O ATOM 45 CB VAL A 3 3.230 -2.611 -13.206 1.00 0.00 C ATOM 46 CG1 VAL A 3 4.027 -1.961 -14.333 1.00 0.00 C ATOM 47 CG2 VAL A 3 3.986 -2.525 -11.886 1.00 0.00 C ATOM 0 HA VAL A 3 1.296 -2.468 -12.256 1.00 0.00 H new ATOM 0 HB VAL A 3 3.100 -3.664 -13.456 1.00 0.00 H new ATOM 0 HG11 VAL A 3 5.010 -2.427 -14.399 1.00 0.00 H new ATOM 0 HG12 VAL A 3 3.498 -2.095 -15.277 1.00 0.00 H new ATOM 0 HG13 VAL A 3 4.143 -0.896 -14.130 1.00 0.00 H new ATOM 0 HG21 VAL A 3 4.972 -2.976 -12.001 1.00 0.00 H new ATOM 0 HG22 VAL A 3 4.096 -1.480 -11.597 1.00 0.00 H new ATOM 0 HG23 VAL A 3 3.431 -3.058 -11.114 1.00 0.00 H new ATOM 57 N ARG A 4 1.709 -0.135 -11.495 1.00 0.00 N ATOM 58 CA ARG A 4 1.787 1.253 -11.051 1.00 0.00 C ATOM 59 C ARG A 4 2.629 1.382 -9.778 1.00 0.00 C ATOM 60 O ARG A 4 2.607 0.501 -8.917 1.00 0.00 O ATOM 61 CB ARG A 4 0.376 1.797 -10.805 1.00 0.00 C ATOM 62 CG ARG A 4 0.354 3.207 -10.241 1.00 0.00 C ATOM 63 CD ARG A 4 -1.057 3.649 -9.888 1.00 0.00 C ATOM 64 NE ARG A 4 -1.068 4.940 -9.198 1.00 0.00 N ATOM 65 CZ ARG A 4 -2.093 5.390 -8.468 1.00 0.00 C ATOM 66 NH1 ARG A 4 -3.206 4.671 -8.345 1.00 0.00 N ATOM 67 NH2 ARG A 4 -2.008 6.569 -7.865 1.00 0.00 N ATOM 0 H ARG A 4 1.455 -0.796 -10.761 1.00 0.00 H new ATOM 0 HA ARG A 4 2.271 1.836 -11.834 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -0.178 1.782 -11.744 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -0.145 1.132 -10.117 1.00 0.00 H new ATOM 0 HG2 ARG A 4 0.983 3.253 -9.352 1.00 0.00 H new ATOM 0 HG3 ARG A 4 0.780 3.897 -10.969 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -1.654 3.718 -10.797 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -1.526 2.895 -9.256 1.00 0.00 H new ATOM 0 HE ARG A 4 -0.242 5.533 -9.279 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -3.283 3.767 -8.810 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -3.982 5.024 -7.785 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -1.161 7.130 -7.959 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -2.789 6.914 -7.307 1.00 0.00 H new ATOM 81 N SER A 5 3.362 2.492 -9.666 1.00 0.00 N ATOM 82 CA SER A 5 4.203 2.746 -8.495 1.00 0.00 C ATOM 83 C SER A 5 3.632 3.891 -7.659 1.00 0.00 C ATOM 84 O SER A 5 3.268 4.941 -8.192 1.00 0.00 O ATOM 85 CB SER A 5 5.638 3.073 -8.924 1.00 0.00 C ATOM 86 OG SER A 5 6.458 1.916 -8.882 1.00 0.00 O ATOM 0 H SER A 5 3.390 3.228 -10.371 1.00 0.00 H new ATOM 0 HA SER A 5 4.217 1.843 -7.885 1.00 0.00 H new ATOM 0 HB2 SER A 5 5.635 3.484 -9.933 1.00 0.00 H new ATOM 0 HB3 SER A 5 6.051 3.840 -8.269 1.00 0.00 H new ATOM 0 HG SER A 5 7.368 2.150 -9.161 1.00 0.00 H new ATOM 92 N VAL A 6 3.550 3.676 -6.344 1.00 0.00 N ATOM 93 CA VAL A 6 3.016 4.682 -5.426 1.00 0.00 C ATOM 94 C VAL A 6 4.065 5.124 -4.405 1.00 0.00 C ATOM 95 O VAL A 6 4.842 4.308 -3.904 1.00 0.00 O ATOM 96 CB VAL A 6 1.776 4.151 -4.671 1.00 0.00 C ATOM 97 CG1 VAL A 6 1.148 5.249 -3.823 1.00 0.00 C ATOM 98 CG2 VAL A 6 0.757 3.575 -5.647 1.00 0.00 C ATOM 0 H VAL A 6 3.848 2.812 -5.891 1.00 0.00 H new ATOM 0 HA VAL A 6 2.729 5.538 -6.036 1.00 0.00 H new ATOM 0 HB VAL A 6 2.101 3.352 -4.005 1.00 0.00 H new ATOM 0 HG11 VAL A 6 0.277 4.852 -3.301 1.00 0.00 H new ATOM 0 HG12 VAL A 6 1.876 5.607 -3.095 1.00 0.00 H new ATOM 0 HG13 VAL A 6 0.841 6.074 -4.465 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -0.108 3.207 -5.095 1.00 0.00 H new ATOM 0 HG22 VAL A 6 0.440 4.352 -6.342 1.00 0.00 H new ATOM 0 HG23 VAL A 6 1.209 2.754 -6.203 1.00 0.00 H new ATOM 108 N GLU A 7 4.072 6.424 -4.098 1.00 0.00 N ATOM 109 CA GLU A 7 5.017 6.988 -3.136 1.00 0.00 C ATOM 110 C GLU A 7 4.285 7.817 -2.077 1.00 0.00 C ATOM 111 O GLU A 7 3.905 8.964 -2.327 1.00 0.00 O ATOM 112 CB GLU A 7 6.053 7.852 -3.860 1.00 0.00 C ATOM 113 CG GLU A 7 6.694 7.159 -5.055 1.00 0.00 C ATOM 114 CD GLU A 7 7.709 8.033 -5.768 1.00 0.00 C ATOM 115 OE1 GLU A 7 8.687 8.461 -5.116 1.00 0.00 O ATOM 116 OE2 GLU A 7 7.529 8.288 -6.977 1.00 0.00 O ATOM 0 H GLU A 7 3.431 7.106 -4.504 1.00 0.00 H new ATOM 0 HA GLU A 7 5.528 6.166 -2.634 1.00 0.00 H new ATOM 0 HB2 GLU A 7 5.575 8.772 -4.197 1.00 0.00 H new ATOM 0 HB3 GLU A 7 6.833 8.138 -3.154 1.00 0.00 H new ATOM 0 HG2 GLU A 7 7.182 6.244 -4.720 1.00 0.00 H new ATOM 0 HG3 GLU A 7 5.916 6.866 -5.759 1.00 0.00 H new ATOM 123 N VAL A 8 4.085 7.227 -0.897 1.00 0.00 N ATOM 124 CA VAL A 8 3.396 7.906 0.197 1.00 0.00 C ATOM 125 C VAL A 8 4.385 8.564 1.161 1.00 0.00 C ATOM 126 O VAL A 8 5.468 8.036 1.416 1.00 0.00 O ATOM 127 CB VAL A 8 2.493 6.933 0.989 1.00 0.00 C ATOM 128 CG1 VAL A 8 1.620 7.694 1.977 1.00 0.00 C ATOM 129 CG2 VAL A 8 1.633 6.100 0.045 1.00 0.00 C ATOM 0 H VAL A 8 4.392 6.279 -0.676 1.00 0.00 H new ATOM 0 HA VAL A 8 2.776 8.677 -0.260 1.00 0.00 H new ATOM 0 HB VAL A 8 3.136 6.255 1.550 1.00 0.00 H new ATOM 0 HG11 VAL A 8 0.992 6.991 2.524 1.00 0.00 H new ATOM 0 HG12 VAL A 8 2.253 8.237 2.679 1.00 0.00 H new ATOM 0 HG13 VAL A 8 0.989 8.399 1.437 1.00 0.00 H new ATOM 0 HG21 VAL A 8 1.006 5.423 0.626 1.00 0.00 H new ATOM 0 HG22 VAL A 8 1.001 6.760 -0.549 1.00 0.00 H new ATOM 0 HG23 VAL A 8 2.276 5.521 -0.617 1.00 0.00 H new ATOM 139 N ALA A 9 3.989 9.720 1.693 1.00 0.00 N ATOM 140 CA ALA A 9 4.811 10.471 2.631 1.00 0.00 C ATOM 141 C ALA A 9 4.143 10.534 3.999 1.00 0.00 C ATOM 142 O ALA A 9 3.158 11.252 4.188 1.00 0.00 O ATOM 143 CB ALA A 9 5.063 11.877 2.102 1.00 0.00 C ATOM 0 H ALA A 9 3.092 10.158 1.484 1.00 0.00 H new ATOM 0 HA ALA A 9 5.767 9.959 2.738 1.00 0.00 H new ATOM 0 HB1 ALA A 9 5.679 12.428 2.813 1.00 0.00 H new ATOM 0 HB2 ALA A 9 5.579 11.818 1.144 1.00 0.00 H new ATOM 0 HB3 ALA A 9 4.112 12.392 1.970 1.00 0.00 H new ATOM 149 N ARG A 10 4.683 9.772 4.945 1.00 0.00 N ATOM 150 CA ARG A 10 4.148 9.726 6.307 1.00 0.00 C ATOM 151 C ARG A 10 3.970 11.134 6.877 1.00 0.00 C ATOM 152 O ARG A 10 4.934 11.894 6.993 1.00 0.00 O ATOM 153 CB ARG A 10 5.070 8.907 7.222 1.00 0.00 C ATOM 154 CG ARG A 10 4.540 8.759 8.641 1.00 0.00 C ATOM 155 CD ARG A 10 5.076 7.508 9.319 1.00 0.00 C ATOM 156 NE ARG A 10 4.175 7.029 10.372 1.00 0.00 N ATOM 157 CZ ARG A 10 4.213 5.798 10.891 1.00 0.00 C ATOM 158 NH1 ARG A 10 5.105 4.908 10.467 1.00 0.00 N ATOM 159 NH2 ARG A 10 3.348 5.455 11.841 1.00 0.00 N ATOM 0 H ARG A 10 5.495 9.174 4.795 1.00 0.00 H new ATOM 0 HA ARG A 10 3.171 9.244 6.263 1.00 0.00 H new ATOM 0 HB2 ARG A 10 5.211 7.916 6.790 1.00 0.00 H new ATOM 0 HB3 ARG A 10 6.050 9.382 7.256 1.00 0.00 H new ATOM 0 HG2 ARG A 10 4.818 9.636 9.226 1.00 0.00 H new ATOM 0 HG3 ARG A 10 3.451 8.722 8.620 1.00 0.00 H new ATOM 0 HD2 ARG A 10 5.215 6.723 8.575 1.00 0.00 H new ATOM 0 HD3 ARG A 10 6.056 7.719 9.747 1.00 0.00 H new ATOM 0 HE ARG A 10 3.474 7.677 10.732 1.00 0.00 H new ATOM 0 HH11 ARG A 10 5.771 5.161 9.737 1.00 0.00 H new ATOM 0 HH12 ARG A 10 5.123 3.972 10.872 1.00 0.00 H new ATOM 0 HH21 ARG A 10 2.659 6.130 12.171 1.00 0.00 H new ATOM 0 HH22 ARG A 10 3.374 4.516 12.240 1.00 0.00 H new ATOM 173 N GLY A 11 2.728 11.473 7.231 1.00 0.00 N ATOM 174 CA GLY A 11 2.437 12.787 7.783 1.00 0.00 C ATOM 175 C GLY A 11 3.087 13.002 9.137 1.00 0.00 C ATOM 176 O GLY A 11 3.927 13.892 9.295 1.00 0.00 O ATOM 0 H GLY A 11 1.918 10.859 7.144 1.00 0.00 H new ATOM 0 HA2 GLY A 11 2.784 13.554 7.091 1.00 0.00 H new ATOM 0 HA3 GLY A 11 1.358 12.908 7.878 1.00 0.00 H new ATOM 180 N ARG A 12 2.702 12.179 10.113 1.00 0.00 N ATOM 181 CA ARG A 12 3.249 12.266 11.464 1.00 0.00 C ATOM 182 C ARG A 12 3.239 10.897 12.135 1.00 0.00 C ATOM 183 O ARG A 12 4.277 10.243 12.241 1.00 0.00 O ATOM 184 CB ARG A 12 2.457 13.280 12.301 1.00 0.00 C ATOM 185 CG ARG A 12 3.021 14.690 12.241 1.00 0.00 C ATOM 186 CD ARG A 12 1.925 15.739 12.335 1.00 0.00 C ATOM 187 NE ARG A 12 2.467 17.097 12.352 1.00 0.00 N ATOM 188 CZ ARG A 12 3.093 17.641 13.400 1.00 0.00 C ATOM 189 NH1 ARG A 12 3.260 16.946 14.522 1.00 0.00 N ATOM 190 NH2 ARG A 12 3.555 18.884 13.321 1.00 0.00 N ATOM 0 H ARG A 12 2.009 11.441 9.990 1.00 0.00 H new ATOM 0 HA ARG A 12 4.282 12.608 11.395 1.00 0.00 H new ATOM 0 HB2 ARG A 12 1.423 13.296 11.955 1.00 0.00 H new ATOM 0 HB3 ARG A 12 2.441 12.948 13.339 1.00 0.00 H new ATOM 0 HG2 ARG A 12 3.732 14.832 13.055 1.00 0.00 H new ATOM 0 HG3 ARG A 12 3.572 14.822 11.310 1.00 0.00 H new ATOM 0 HD2 ARG A 12 1.246 15.630 11.490 1.00 0.00 H new ATOM 0 HD3 ARG A 12 1.339 15.571 13.239 1.00 0.00 H new ATOM 0 HE ARG A 12 2.361 17.665 11.511 1.00 0.00 H new ATOM 0 HH11 ARG A 12 2.909 15.990 14.587 1.00 0.00 H new ATOM 0 HH12 ARG A 12 3.739 17.369 15.317 1.00 0.00 H new ATOM 0 HH21 ARG A 12 3.431 19.420 12.462 1.00 0.00 H new ATOM 0 HH22 ARG A 12 4.033 19.302 14.119 1.00 0.00 H new ATOM 204 N ALA A 13 2.064 10.464 12.578 1.00 0.00 N ATOM 205 CA ALA A 13 1.923 9.166 13.231 1.00 0.00 C ATOM 206 C ALA A 13 0.983 8.243 12.449 1.00 0.00 C ATOM 207 O ALA A 13 0.364 7.345 13.023 1.00 0.00 O ATOM 208 CB ALA A 13 1.429 9.348 14.660 1.00 0.00 C ATOM 0 H ALA A 13 1.195 10.992 12.497 1.00 0.00 H new ATOM 0 HA ALA A 13 2.904 8.692 13.254 1.00 0.00 H new ATOM 0 HB1 ALA A 13 1.328 8.373 15.137 1.00 0.00 H new ATOM 0 HB2 ALA A 13 2.144 9.952 15.218 1.00 0.00 H new ATOM 0 HB3 ALA A 13 0.461 9.849 14.649 1.00 0.00 H new ATOM 214 N GLY A 14 0.880 8.463 11.135 1.00 0.00 N ATOM 215 CA GLY A 14 0.014 7.639 10.307 1.00 0.00 C ATOM 216 C GLY A 14 0.078 8.008 8.835 1.00 0.00 C ATOM 217 O GLY A 14 0.721 8.992 8.461 1.00 0.00 O ATOM 0 H GLY A 14 1.381 9.196 10.633 1.00 0.00 H new ATOM 0 HA2 GLY A 14 0.294 6.592 10.427 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -1.014 7.736 10.656 1.00 0.00 H new ATOM 221 N TYR A 15 -0.594 7.214 7.999 1.00 0.00 N ATOM 222 CA TYR A 15 -0.618 7.457 6.558 1.00 0.00 C ATOM 223 C TYR A 15 -2.008 7.896 6.102 1.00 0.00 C ATOM 224 O TYR A 15 -2.244 9.077 5.856 1.00 0.00 O ATOM 225 CB TYR A 15 -0.187 6.199 5.796 1.00 0.00 C ATOM 226 CG TYR A 15 1.305 5.942 5.817 1.00 0.00 C ATOM 227 CD1 TYR A 15 2.198 6.874 5.298 1.00 0.00 C ATOM 228 CD2 TYR A 15 1.817 4.765 6.346 1.00 0.00 C ATOM 229 CE1 TYR A 15 3.560 6.638 5.311 1.00 0.00 C ATOM 230 CE2 TYR A 15 3.178 4.523 6.363 1.00 0.00 C ATOM 231 CZ TYR A 15 4.044 5.463 5.844 1.00 0.00 C ATOM 232 OH TYR A 15 5.401 5.228 5.853 1.00 0.00 O ATOM 0 H TYR A 15 -1.128 6.398 8.297 1.00 0.00 H new ATOM 0 HA TYR A 15 0.085 8.261 6.340 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -0.699 5.336 6.222 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -0.515 6.285 4.760 1.00 0.00 H new ATOM 0 HD1 TYR A 15 1.822 7.795 4.879 1.00 0.00 H new ATOM 0 HD2 TYR A 15 1.141 4.026 6.751 1.00 0.00 H new ATOM 0 HE1 TYR A 15 4.242 7.371 4.905 1.00 0.00 H new ATOM 0 HE2 TYR A 15 3.561 3.603 6.780 1.00 0.00 H new ATOM 0 HH TYR A 15 5.703 5.087 6.775 1.00 0.00 H new ATOM 242 N GLY A 16 -2.922 6.934 5.992 1.00 0.00 N ATOM 243 CA GLY A 16 -4.280 7.236 5.564 1.00 0.00 C ATOM 244 C GLY A 16 -4.889 6.140 4.709 1.00 0.00 C ATOM 245 O GLY A 16 -5.502 6.420 3.678 1.00 0.00 O ATOM 0 H GLY A 16 -2.747 5.949 6.192 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -4.905 7.394 6.443 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -4.279 8.170 5.002 1.00 0.00 H new ATOM 249 N PHE A 17 -4.724 4.892 5.138 1.00 0.00 N ATOM 250 CA PHE A 17 -5.259 3.743 4.409 1.00 0.00 C ATOM 251 C PHE A 17 -5.391 2.529 5.333 1.00 0.00 C ATOM 252 O PHE A 17 -5.010 2.591 6.505 1.00 0.00 O ATOM 253 CB PHE A 17 -4.362 3.409 3.209 1.00 0.00 C ATOM 254 CG PHE A 17 -2.984 2.935 3.590 1.00 0.00 C ATOM 255 CD1 PHE A 17 -1.957 3.842 3.801 1.00 0.00 C ATOM 256 CD2 PHE A 17 -2.719 1.583 3.746 1.00 0.00 C ATOM 257 CE1 PHE A 17 -0.693 3.411 4.158 1.00 0.00 C ATOM 258 CE2 PHE A 17 -1.457 1.146 4.100 1.00 0.00 C ATOM 259 CZ PHE A 17 -0.443 2.060 4.307 1.00 0.00 C ATOM 0 H PHE A 17 -4.221 4.648 5.991 1.00 0.00 H new ATOM 0 HA PHE A 17 -6.252 4.001 4.041 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -4.847 2.639 2.608 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -4.270 4.294 2.579 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -2.147 4.899 3.685 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -3.508 0.863 3.589 1.00 0.00 H new ATOM 0 HE1 PHE A 17 0.098 4.129 4.320 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -1.264 0.090 4.215 1.00 0.00 H new ATOM 0 HZ PHE A 17 0.544 1.720 4.585 1.00 0.00 H new ATOM 269 N THR A 18 -5.932 1.427 4.807 1.00 0.00 N ATOM 270 CA THR A 18 -6.108 0.208 5.598 1.00 0.00 C ATOM 271 C THR A 18 -5.802 -1.043 4.767 1.00 0.00 C ATOM 272 O THR A 18 -5.981 -1.046 3.546 1.00 0.00 O ATOM 273 CB THR A 18 -7.534 0.138 6.161 1.00 0.00 C ATOM 274 OG1 THR A 18 -7.990 1.425 6.547 1.00 0.00 O ATOM 275 CG2 THR A 18 -7.662 -0.769 7.369 1.00 0.00 C ATOM 0 H THR A 18 -6.254 1.354 3.842 1.00 0.00 H new ATOM 0 HA THR A 18 -5.402 0.242 6.428 1.00 0.00 H new ATOM 0 HB THR A 18 -8.138 -0.271 5.351 1.00 0.00 H new ATOM 0 HG1 THR A 18 -8.901 1.357 6.901 1.00 0.00 H new ATOM 0 HG21 THR A 18 -8.696 -0.771 7.715 1.00 0.00 H new ATOM 0 HG22 THR A 18 -7.369 -1.783 7.096 1.00 0.00 H new ATOM 0 HG23 THR A 18 -7.014 -0.406 8.167 1.00 0.00 H new ATOM 283 N LEU A 19 -5.332 -2.098 5.439 1.00 0.00 N ATOM 284 CA LEU A 19 -4.987 -3.356 4.772 1.00 0.00 C ATOM 285 C LEU A 19 -5.799 -4.529 5.328 1.00 0.00 C ATOM 286 O LEU A 19 -5.880 -4.719 6.544 1.00 0.00 O ATOM 287 CB LEU A 19 -3.493 -3.647 4.950 1.00 0.00 C ATOM 288 CG LEU A 19 -2.627 -3.416 3.711 1.00 0.00 C ATOM 289 CD1 LEU A 19 -1.150 -3.428 4.083 1.00 0.00 C ATOM 290 CD2 LEU A 19 -2.924 -4.468 2.651 1.00 0.00 C ATOM 0 H LEU A 19 -5.181 -2.105 6.448 1.00 0.00 H new ATOM 0 HA LEU A 19 -5.224 -3.246 3.714 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.113 -3.024 5.759 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.377 -4.684 5.265 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.867 -2.436 3.298 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.548 -3.262 3.189 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -0.951 -2.638 4.807 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.893 -4.393 4.520 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.299 -4.289 1.776 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.711 -5.459 3.052 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.974 -4.410 2.365 1.00 0.00 H new ATOM 302 N SER A 20 -6.383 -5.324 4.427 1.00 0.00 N ATOM 303 CA SER A 20 -7.176 -6.492 4.822 1.00 0.00 C ATOM 304 C SER A 20 -7.052 -7.620 3.795 1.00 0.00 C ATOM 305 O SER A 20 -6.628 -7.394 2.658 1.00 0.00 O ATOM 306 CB SER A 20 -8.650 -6.109 4.986 1.00 0.00 C ATOM 307 OG SER A 20 -8.807 -5.042 5.908 1.00 0.00 O ATOM 0 H SER A 20 -6.322 -5.180 3.419 1.00 0.00 H new ATOM 0 HA SER A 20 -6.786 -6.847 5.776 1.00 0.00 H new ATOM 0 HB2 SER A 20 -9.062 -5.820 4.019 1.00 0.00 H new ATOM 0 HB3 SER A 20 -9.217 -6.975 5.329 1.00 0.00 H new ATOM 0 HG SER A 20 -9.758 -4.819 5.991 1.00 0.00 H new ATOM 313 N GLY A 21 -7.429 -8.836 4.200 1.00 0.00 N ATOM 314 CA GLY A 21 -7.361 -9.985 3.305 1.00 0.00 C ATOM 315 C GLY A 21 -6.503 -11.116 3.854 1.00 0.00 C ATOM 316 O GLY A 21 -6.756 -12.287 3.562 1.00 0.00 O ATOM 0 H GLY A 21 -7.781 -9.045 5.134 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -8.369 -10.357 3.123 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -6.960 -9.666 2.343 1.00 0.00 H new ATOM 320 N GLN A 22 -5.482 -10.759 4.642 1.00 0.00 N ATOM 321 CA GLN A 22 -4.555 -11.720 5.249 1.00 0.00 C ATOM 322 C GLN A 22 -3.475 -12.162 4.261 1.00 0.00 C ATOM 323 O GLN A 22 -2.295 -12.234 4.613 1.00 0.00 O ATOM 324 CB GLN A 22 -5.295 -12.944 5.799 1.00 0.00 C ATOM 325 CG GLN A 22 -4.922 -13.279 7.234 1.00 0.00 C ATOM 326 CD GLN A 22 -4.404 -14.697 7.394 1.00 0.00 C ATOM 327 OE1 GLN A 22 -5.126 -15.585 7.845 1.00 0.00 O ATOM 328 NE2 GLN A 22 -3.145 -14.916 7.030 1.00 0.00 N ATOM 0 H GLN A 22 -5.275 -9.788 4.878 1.00 0.00 H new ATOM 0 HA GLN A 22 -4.071 -11.207 6.080 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -6.369 -12.766 5.742 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -5.081 -13.804 5.165 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -4.162 -12.579 7.579 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -5.795 -13.142 7.872 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -2.581 -14.151 6.660 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -2.743 -15.849 7.120 1.00 0.00 H new ATOM 337 N ALA A 23 -3.885 -12.466 3.031 1.00 0.00 N ATOM 338 CA ALA A 23 -2.962 -12.910 1.994 1.00 0.00 C ATOM 339 C ALA A 23 -2.809 -11.859 0.891 1.00 0.00 C ATOM 340 O ALA A 23 -1.741 -11.261 0.751 1.00 0.00 O ATOM 341 CB ALA A 23 -3.429 -14.238 1.421 1.00 0.00 C ATOM 0 H ALA A 23 -4.858 -12.412 2.729 1.00 0.00 H new ATOM 0 HA ALA A 23 -1.979 -13.047 2.445 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -2.735 -14.564 0.646 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -3.464 -14.984 2.215 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -4.423 -14.119 0.990 1.00 0.00 H new ATOM 347 N PRO A 24 -3.871 -11.611 0.085 1.00 0.00 N ATOM 348 CA PRO A 24 -3.817 -10.626 -1.000 1.00 0.00 C ATOM 349 C PRO A 24 -3.843 -9.190 -0.485 1.00 0.00 C ATOM 350 O PRO A 24 -4.911 -8.630 -0.226 1.00 0.00 O ATOM 351 CB PRO A 24 -5.075 -10.929 -1.818 1.00 0.00 C ATOM 352 CG PRO A 24 -6.029 -11.512 -0.837 1.00 0.00 C ATOM 353 CD PRO A 24 -5.194 -12.269 0.161 1.00 0.00 C ATOM 0 HA PRO A 24 -2.893 -10.701 -1.573 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -5.478 -10.025 -2.274 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -4.863 -11.627 -2.628 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -6.609 -10.730 -0.346 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -6.740 -12.174 -1.331 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -5.615 -12.206 1.164 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -5.130 -13.327 -0.092 1.00 0.00 H new ATOM 361 N CYS A 25 -2.658 -8.601 -0.341 1.00 0.00 N ATOM 362 CA CYS A 25 -2.541 -7.227 0.141 1.00 0.00 C ATOM 363 C CYS A 25 -3.239 -6.270 -0.820 1.00 0.00 C ATOM 364 O CYS A 25 -2.873 -6.173 -1.992 1.00 0.00 O ATOM 365 CB CYS A 25 -1.071 -6.831 0.299 1.00 0.00 C ATOM 366 SG CYS A 25 -0.144 -7.862 1.459 1.00 0.00 S ATOM 0 H CYS A 25 -1.768 -9.052 -0.551 1.00 0.00 H new ATOM 0 HA CYS A 25 -3.022 -7.165 1.117 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -0.587 -6.877 -0.677 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -1.020 -5.794 0.631 1.00 0.00 H new ATOM 0 HG CYS A 25 0.676 -8.626 0.801 1.00 0.00 H new ATOM 372 N VAL A 26 -4.256 -5.576 -0.319 1.00 0.00 N ATOM 373 CA VAL A 26 -5.021 -4.635 -1.128 1.00 0.00 C ATOM 374 C VAL A 26 -5.594 -3.517 -0.264 1.00 0.00 C ATOM 375 O VAL A 26 -5.966 -3.744 0.891 1.00 0.00 O ATOM 376 CB VAL A 26 -6.169 -5.352 -1.874 1.00 0.00 C ATOM 377 CG1 VAL A 26 -7.112 -6.036 -0.892 1.00 0.00 C ATOM 378 CG2 VAL A 26 -6.930 -4.382 -2.770 1.00 0.00 C ATOM 0 H VAL A 26 -4.570 -5.649 0.649 1.00 0.00 H new ATOM 0 HA VAL A 26 -4.340 -4.203 -1.861 1.00 0.00 H new ATOM 0 HB VAL A 26 -5.727 -6.119 -2.509 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -7.911 -6.533 -1.441 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -6.559 -6.773 -0.310 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -7.541 -5.292 -0.221 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -7.732 -4.913 -3.283 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -7.355 -3.582 -2.163 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -6.249 -3.956 -3.506 1.00 0.00 H new ATOM 388 N LEU A 27 -5.666 -2.310 -0.824 1.00 0.00 N ATOM 389 CA LEU A 27 -6.202 -1.166 -0.093 1.00 0.00 C ATOM 390 C LEU A 27 -7.724 -1.245 -0.018 1.00 0.00 C ATOM 391 O LEU A 27 -8.426 -0.755 -0.903 1.00 0.00 O ATOM 392 CB LEU A 27 -5.770 0.150 -0.746 1.00 0.00 C ATOM 393 CG LEU A 27 -4.535 0.805 -0.120 1.00 0.00 C ATOM 394 CD1 LEU A 27 -3.279 0.414 -0.883 1.00 0.00 C ATOM 395 CD2 LEU A 27 -4.696 2.319 -0.082 1.00 0.00 C ATOM 0 H LEU A 27 -5.362 -2.101 -1.775 1.00 0.00 H new ATOM 0 HA LEU A 27 -5.800 -1.194 0.920 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -5.570 -0.033 -1.802 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -6.601 0.854 -0.696 1.00 0.00 H new ATOM 0 HG LEU A 27 -4.435 0.447 0.905 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -2.412 0.889 -0.424 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -3.158 -0.669 -0.854 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -3.366 0.742 -1.919 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -3.809 2.768 0.366 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -4.821 2.697 -1.097 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -5.573 2.577 0.512 1.00 0.00 H new ATOM 407 N SER A 28 -8.223 -1.873 1.045 1.00 0.00 N ATOM 408 CA SER A 28 -9.663 -2.026 1.249 1.00 0.00 C ATOM 409 C SER A 28 -10.379 -0.677 1.206 1.00 0.00 C ATOM 410 O SER A 28 -11.498 -0.575 0.697 1.00 0.00 O ATOM 411 CB SER A 28 -9.936 -2.725 2.583 1.00 0.00 C ATOM 412 OG SER A 28 -9.260 -3.971 2.657 1.00 0.00 O ATOM 0 H SER A 28 -7.650 -2.285 1.781 1.00 0.00 H new ATOM 0 HA SER A 28 -10.053 -2.639 0.436 1.00 0.00 H new ATOM 0 HB2 SER A 28 -9.615 -2.085 3.405 1.00 0.00 H new ATOM 0 HB3 SER A 28 -11.008 -2.882 2.702 1.00 0.00 H new ATOM 0 HG SER A 28 -8.440 -3.868 3.184 1.00 0.00 H new ATOM 418 N CYS A 29 -9.728 0.359 1.739 1.00 0.00 N ATOM 419 CA CYS A 29 -10.299 1.703 1.754 1.00 0.00 C ATOM 420 C CYS A 29 -9.229 2.750 2.060 1.00 0.00 C ATOM 421 O CYS A 29 -8.187 2.437 2.639 1.00 0.00 O ATOM 422 CB CYS A 29 -11.428 1.799 2.783 1.00 0.00 C ATOM 423 SG CYS A 29 -12.633 3.102 2.439 1.00 0.00 S ATOM 0 H CYS A 29 -8.804 0.291 2.166 1.00 0.00 H new ATOM 0 HA CYS A 29 -10.706 1.901 0.762 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -11.947 0.842 2.827 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -10.994 1.972 3.768 1.00 0.00 H new ATOM 0 HG CYS A 29 -13.548 3.102 3.362 1.00 0.00 H new ATOM 429 N VAL A 30 -9.498 3.994 1.664 1.00 0.00 N ATOM 430 CA VAL A 30 -8.564 5.095 1.888 1.00 0.00 C ATOM 431 C VAL A 30 -9.224 6.215 2.691 1.00 0.00 C ATOM 432 O VAL A 30 -10.445 6.371 2.664 1.00 0.00 O ATOM 433 CB VAL A 30 -8.029 5.667 0.553 1.00 0.00 C ATOM 434 CG1 VAL A 30 -6.797 6.528 0.790 1.00 0.00 C ATOM 435 CG2 VAL A 30 -7.718 4.548 -0.432 1.00 0.00 C ATOM 0 H VAL A 30 -10.357 4.264 1.185 1.00 0.00 H new ATOM 0 HA VAL A 30 -7.725 4.691 2.455 1.00 0.00 H new ATOM 0 HB VAL A 30 -8.808 6.295 0.120 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -6.438 6.919 -0.162 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -7.054 7.357 1.450 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -6.015 5.925 1.252 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -7.344 4.976 -1.362 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -6.962 3.888 -0.006 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -8.625 3.978 -0.634 1.00 0.00 H new ATOM 445 N MET A 31 -8.406 6.994 3.396 1.00 0.00 N ATOM 446 CA MET A 31 -8.903 8.100 4.199 1.00 0.00 C ATOM 447 C MET A 31 -8.777 9.406 3.430 1.00 0.00 C ATOM 448 O MET A 31 -7.695 9.988 3.330 1.00 0.00 O ATOM 449 CB MET A 31 -8.150 8.200 5.526 1.00 0.00 C ATOM 450 CG MET A 31 -8.073 6.888 6.296 1.00 0.00 C ATOM 451 SD MET A 31 -9.494 6.624 7.375 1.00 0.00 S ATOM 452 CE MET A 31 -8.691 5.994 8.848 1.00 0.00 C ATOM 0 H MET A 31 -7.393 6.876 3.425 1.00 0.00 H new ATOM 0 HA MET A 31 -9.954 7.912 4.417 1.00 0.00 H new ATOM 0 HB2 MET A 31 -7.138 8.555 5.332 1.00 0.00 H new ATOM 0 HB3 MET A 31 -8.636 8.949 6.152 1.00 0.00 H new ATOM 0 HG2 MET A 31 -8.001 6.061 5.589 1.00 0.00 H new ATOM 0 HG3 MET A 31 -7.162 6.876 6.894 1.00 0.00 H new ATOM 0 HE1 MET A 31 -9.442 5.783 9.610 1.00 0.00 H new ATOM 0 HE2 MET A 31 -8.153 5.078 8.605 1.00 0.00 H new ATOM 0 HE3 MET A 31 -7.990 6.738 9.226 1.00 0.00 H new ATOM 462 N ARG A 32 -9.899 9.845 2.881 1.00 0.00 N ATOM 463 CA ARG A 32 -9.961 11.076 2.101 1.00 0.00 C ATOM 464 C ARG A 32 -9.353 12.248 2.872 1.00 0.00 C ATOM 465 O ARG A 32 -9.795 12.574 3.976 1.00 0.00 O ATOM 466 CB ARG A 32 -11.413 11.393 1.724 1.00 0.00 C ATOM 467 CG ARG A 32 -12.183 10.201 1.169 1.00 0.00 C ATOM 468 CD ARG A 32 -12.699 10.469 -0.235 1.00 0.00 C ATOM 469 NE ARG A 32 -13.678 9.469 -0.663 1.00 0.00 N ATOM 470 CZ ARG A 32 -14.978 9.512 -0.358 1.00 0.00 C ATOM 471 NH1 ARG A 32 -15.463 10.491 0.405 1.00 0.00 N ATOM 472 NH2 ARG A 32 -15.794 8.564 -0.806 1.00 0.00 N ATOM 0 H ARG A 32 -10.793 9.360 2.962 1.00 0.00 H new ATOM 0 HA ARG A 32 -9.380 10.928 1.191 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -11.932 11.770 2.605 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -11.419 12.193 0.984 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -11.536 9.324 1.158 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -13.021 9.971 1.827 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -13.154 11.459 -0.271 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -11.862 10.478 -0.933 1.00 0.00 H new ATOM 0 HE ARG A 32 -13.347 8.689 -1.231 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -14.840 11.216 0.761 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -16.457 10.515 0.633 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -15.428 7.806 -1.381 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -16.787 8.595 -0.575 1.00 0.00 H new ATOM 486 N GLY A 33 -8.332 12.869 2.283 1.00 0.00 N ATOM 487 CA GLY A 33 -7.663 13.991 2.922 1.00 0.00 C ATOM 488 C GLY A 33 -6.376 13.581 3.620 1.00 0.00 C ATOM 489 O GLY A 33 -5.961 14.219 4.592 1.00 0.00 O ATOM 0 H GLY A 33 -7.955 12.613 1.370 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -7.440 14.751 2.173 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -8.337 14.446 3.648 1.00 0.00 H new ATOM 493 N SER A 34 -5.744 12.521 3.120 1.00 0.00 N ATOM 494 CA SER A 34 -4.497 12.022 3.692 1.00 0.00 C ATOM 495 C SER A 34 -3.443 11.843 2.598 1.00 0.00 C ATOM 496 O SER A 34 -3.773 11.832 1.411 1.00 0.00 O ATOM 497 CB SER A 34 -4.745 10.689 4.405 1.00 0.00 C ATOM 498 OG SER A 34 -5.016 10.888 5.782 1.00 0.00 O ATOM 0 H SER A 34 -6.078 11.989 2.316 1.00 0.00 H new ATOM 0 HA SER A 34 -4.128 12.749 4.415 1.00 0.00 H new ATOM 0 HB2 SER A 34 -5.584 10.174 3.937 1.00 0.00 H new ATOM 0 HB3 SER A 34 -3.873 10.045 4.292 1.00 0.00 H new ATOM 0 HG SER A 34 -5.172 10.022 6.213 1.00 0.00 H new ATOM 504 N PRO A 35 -2.156 11.697 2.984 1.00 0.00 N ATOM 505 CA PRO A 35 -1.052 11.513 2.029 1.00 0.00 C ATOM 506 C PRO A 35 -1.301 10.368 1.044 1.00 0.00 C ATOM 507 O PRO A 35 -0.755 10.365 -0.062 1.00 0.00 O ATOM 508 CB PRO A 35 0.163 11.197 2.920 1.00 0.00 C ATOM 509 CG PRO A 35 -0.395 10.913 4.275 1.00 0.00 C ATOM 510 CD PRO A 35 -1.672 11.697 4.372 1.00 0.00 C ATOM 0 HA PRO A 35 -0.920 12.397 1.405 1.00 0.00 H new ATOM 0 HB2 PRO A 35 0.717 10.340 2.537 1.00 0.00 H new ATOM 0 HB3 PRO A 35 0.856 12.038 2.950 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -0.581 9.847 4.404 1.00 0.00 H new ATOM 0 HG3 PRO A 35 0.305 11.211 5.055 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -2.385 11.228 5.050 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -1.500 12.708 4.741 1.00 0.00 H new ATOM 518 N ALA A 36 -2.130 9.400 1.444 1.00 0.00 N ATOM 519 CA ALA A 36 -2.452 8.263 0.587 1.00 0.00 C ATOM 520 C ALA A 36 -3.240 8.717 -0.638 1.00 0.00 C ATOM 521 O ALA A 36 -2.895 8.379 -1.771 1.00 0.00 O ATOM 522 CB ALA A 36 -3.230 7.208 1.364 1.00 0.00 C ATOM 0 H ALA A 36 -2.588 9.384 2.355 1.00 0.00 H new ATOM 0 HA ALA A 36 -1.517 7.818 0.246 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -3.460 6.369 0.708 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -2.629 6.858 2.203 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -4.158 7.642 1.738 1.00 0.00 H new ATOM 528 N ASP A 37 -4.295 9.495 -0.399 1.00 0.00 N ATOM 529 CA ASP A 37 -5.133 10.009 -1.484 1.00 0.00 C ATOM 530 C ASP A 37 -4.370 11.025 -2.338 1.00 0.00 C ATOM 531 O ASP A 37 -4.678 11.205 -3.516 1.00 0.00 O ATOM 532 CB ASP A 37 -6.408 10.650 -0.923 1.00 0.00 C ATOM 533 CG ASP A 37 -7.615 10.403 -1.810 1.00 0.00 C ATOM 534 OD1 ASP A 37 -8.280 9.360 -1.634 1.00 0.00 O ATOM 535 OD2 ASP A 37 -7.898 11.255 -2.677 1.00 0.00 O ATOM 0 H ASP A 37 -4.590 9.783 0.534 1.00 0.00 H new ATOM 0 HA ASP A 37 -5.409 9.166 -2.118 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -6.604 10.252 0.073 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -6.254 11.723 -0.813 1.00 0.00 H new ATOM 540 N PHE A 38 -3.368 11.684 -1.741 1.00 0.00 N ATOM 541 CA PHE A 38 -2.557 12.674 -2.454 1.00 0.00 C ATOM 542 C PHE A 38 -1.901 12.067 -3.699 1.00 0.00 C ATOM 543 O PHE A 38 -1.664 12.764 -4.685 1.00 0.00 O ATOM 544 CB PHE A 38 -1.474 13.245 -1.534 1.00 0.00 C ATOM 545 CG PHE A 38 -1.975 14.224 -0.502 1.00 0.00 C ATOM 546 CD1 PHE A 38 -3.325 14.316 -0.190 1.00 0.00 C ATOM 547 CD2 PHE A 38 -1.084 15.054 0.158 1.00 0.00 C ATOM 548 CE1 PHE A 38 -3.771 15.215 0.761 1.00 0.00 C ATOM 549 CE2 PHE A 38 -1.526 15.955 1.110 1.00 0.00 C ATOM 550 CZ PHE A 38 -2.870 16.035 1.410 1.00 0.00 C ATOM 0 H PHE A 38 -3.101 11.548 -0.766 1.00 0.00 H new ATOM 0 HA PHE A 38 -3.224 13.476 -2.770 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -0.979 12.420 -1.022 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -0.719 13.738 -2.147 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -4.035 13.678 -0.696 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -0.031 14.997 -0.074 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -4.823 15.276 0.996 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -0.820 16.595 1.618 1.00 0.00 H new ATOM 0 HZ PHE A 38 -3.217 16.739 2.152 1.00 0.00 H new ATOM 560 N VAL A 39 -1.607 10.765 -3.647 1.00 0.00 N ATOM 561 CA VAL A 39 -0.980 10.070 -4.771 1.00 0.00 C ATOM 562 C VAL A 39 -2.030 9.510 -5.732 1.00 0.00 C ATOM 563 O VAL A 39 -1.757 9.324 -6.919 1.00 0.00 O ATOM 564 CB VAL A 39 -0.078 8.910 -4.294 1.00 0.00 C ATOM 565 CG1 VAL A 39 0.722 8.343 -5.458 1.00 0.00 C ATOM 566 CG2 VAL A 39 0.847 9.366 -3.171 1.00 0.00 C ATOM 0 H VAL A 39 -1.794 10.172 -2.838 1.00 0.00 H new ATOM 0 HA VAL A 39 -0.368 10.809 -5.288 1.00 0.00 H new ATOM 0 HB VAL A 39 -0.718 8.120 -3.901 1.00 0.00 H new ATOM 0 HG11 VAL A 39 1.352 7.527 -5.103 1.00 0.00 H new ATOM 0 HG12 VAL A 39 0.039 7.969 -6.221 1.00 0.00 H new ATOM 0 HG13 VAL A 39 1.349 9.126 -5.884 1.00 0.00 H new ATOM 0 HG21 VAL A 39 1.472 8.531 -2.853 1.00 0.00 H new ATOM 0 HG22 VAL A 39 1.481 10.178 -3.528 1.00 0.00 H new ATOM 0 HG23 VAL A 39 0.251 9.715 -2.328 1.00 0.00 H new ATOM 576 N GLY A 40 -3.226 9.241 -5.214 1.00 0.00 N ATOM 577 CA GLY A 40 -4.294 8.706 -6.037 1.00 0.00 C ATOM 578 C GLY A 40 -4.876 7.407 -5.500 1.00 0.00 C ATOM 579 O GLY A 40 -5.729 6.798 -6.147 1.00 0.00 O ATOM 0 H GLY A 40 -3.474 9.385 -4.235 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -5.089 9.447 -6.115 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -3.916 8.537 -7.045 1.00 0.00 H new ATOM 583 N LEU A 41 -4.432 6.980 -4.312 1.00 0.00 N ATOM 584 CA LEU A 41 -4.941 5.754 -3.708 1.00 0.00 C ATOM 585 C LEU A 41 -6.422 5.917 -3.386 1.00 0.00 C ATOM 586 O LEU A 41 -6.788 6.703 -2.509 1.00 0.00 O ATOM 587 CB LEU A 41 -4.158 5.410 -2.436 1.00 0.00 C ATOM 588 CG LEU A 41 -2.969 4.462 -2.632 1.00 0.00 C ATOM 589 CD1 LEU A 41 -2.053 4.964 -3.740 1.00 0.00 C ATOM 590 CD2 LEU A 41 -2.194 4.304 -1.330 1.00 0.00 C ATOM 0 H LEU A 41 -3.726 7.465 -3.757 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.815 4.936 -4.417 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -3.793 6.336 -1.993 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.844 4.961 -1.718 1.00 0.00 H new ATOM 0 HG LEU A 41 -3.356 3.486 -2.926 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -1.217 4.275 -3.861 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.611 5.024 -4.674 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -1.674 5.952 -3.479 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.353 3.628 -1.487 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -1.822 5.277 -1.008 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.851 3.894 -0.563 1.00 0.00 H new ATOM 602 N ARG A 42 -7.266 5.187 -4.109 1.00 0.00 N ATOM 603 CA ARG A 42 -8.709 5.263 -3.912 1.00 0.00 C ATOM 604 C ARG A 42 -9.304 3.891 -3.587 1.00 0.00 C ATOM 605 O ARG A 42 -10.484 3.647 -3.844 1.00 0.00 O ATOM 606 CB ARG A 42 -9.376 5.843 -5.162 1.00 0.00 C ATOM 607 CG ARG A 42 -8.913 7.252 -5.506 1.00 0.00 C ATOM 608 CD ARG A 42 -9.738 8.306 -4.781 1.00 0.00 C ATOM 609 NE ARG A 42 -11.171 8.169 -5.054 1.00 0.00 N ATOM 610 CZ ARG A 42 -12.124 8.823 -4.388 1.00 0.00 C ATOM 611 NH1 ARG A 42 -11.809 9.682 -3.424 1.00 0.00 N ATOM 612 NH2 ARG A 42 -13.404 8.620 -4.687 1.00 0.00 N ATOM 0 H ARG A 42 -6.975 4.535 -4.838 1.00 0.00 H new ATOM 0 HA ARG A 42 -8.899 5.918 -3.062 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -9.173 5.187 -6.009 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -10.456 5.851 -5.016 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -7.862 7.365 -5.240 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -8.988 7.408 -6.582 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -9.565 8.226 -3.708 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -9.405 9.298 -5.085 1.00 0.00 H new ATOM 0 HE ARG A 42 -11.458 7.534 -5.799 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -10.831 9.846 -3.187 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -12.546 10.177 -2.921 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -13.657 7.964 -5.426 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -14.132 9.120 -4.177 1.00 0.00 H new ATOM 626 N ALA A 43 -8.483 3.003 -3.015 1.00 0.00 N ATOM 627 CA ALA A 43 -8.926 1.658 -2.649 1.00 0.00 C ATOM 628 C ALA A 43 -9.114 0.773 -3.879 1.00 0.00 C ATOM 629 O ALA A 43 -9.273 1.267 -4.997 1.00 0.00 O ATOM 630 CB ALA A 43 -10.217 1.719 -1.844 1.00 0.00 C ATOM 0 H ALA A 43 -7.505 3.195 -2.796 1.00 0.00 H new ATOM 0 HA ALA A 43 -8.145 1.214 -2.033 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -10.530 0.709 -1.581 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -10.051 2.296 -0.934 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -10.995 2.197 -2.440 1.00 0.00 H new ATOM 636 N GLY A 44 -9.092 -0.543 -3.660 1.00 0.00 N ATOM 637 CA GLY A 44 -9.261 -1.486 -4.751 1.00 0.00 C ATOM 638 C GLY A 44 -7.943 -1.898 -5.377 1.00 0.00 C ATOM 639 O GLY A 44 -7.751 -3.067 -5.716 1.00 0.00 O ATOM 0 H GLY A 44 -8.960 -0.971 -2.743 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -9.777 -2.373 -4.383 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -9.898 -1.041 -5.515 1.00 0.00 H new ATOM 643 N ASP A 45 -7.031 -0.933 -5.523 1.00 0.00 N ATOM 644 CA ASP A 45 -5.719 -1.190 -6.102 1.00 0.00 C ATOM 645 C ASP A 45 -5.032 -2.357 -5.395 1.00 0.00 C ATOM 646 O ASP A 45 -4.797 -2.315 -4.187 1.00 0.00 O ATOM 647 CB ASP A 45 -4.854 0.071 -6.013 1.00 0.00 C ATOM 648 CG ASP A 45 -4.866 0.704 -4.632 1.00 0.00 C ATOM 649 OD1 ASP A 45 -5.801 1.481 -4.342 1.00 0.00 O ATOM 650 OD2 ASP A 45 -3.941 0.424 -3.843 1.00 0.00 O ATOM 0 H ASP A 45 -7.183 0.037 -5.245 1.00 0.00 H new ATOM 0 HA ASP A 45 -5.849 -1.459 -7.150 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -3.828 -0.179 -6.283 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -5.207 0.799 -6.743 1.00 0.00 H new ATOM 655 N GLN A 46 -4.724 -3.403 -6.158 1.00 0.00 N ATOM 656 CA GLN A 46 -4.077 -4.586 -5.604 1.00 0.00 C ATOM 657 C GLN A 46 -2.599 -4.323 -5.327 1.00 0.00 C ATOM 658 O GLN A 46 -1.858 -3.894 -6.214 1.00 0.00 O ATOM 659 CB GLN A 46 -4.230 -5.774 -6.558 1.00 0.00 C ATOM 660 CG GLN A 46 -5.417 -6.667 -6.236 1.00 0.00 C ATOM 661 CD GLN A 46 -5.441 -7.932 -7.074 1.00 0.00 C ATOM 662 OE1 GLN A 46 -6.396 -8.188 -7.804 1.00 0.00 O ATOM 663 NE2 GLN A 46 -4.385 -8.733 -6.972 1.00 0.00 N ATOM 0 H GLN A 46 -4.912 -3.454 -7.159 1.00 0.00 H new ATOM 0 HA GLN A 46 -4.565 -4.825 -4.659 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -4.334 -5.400 -7.576 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -3.319 -6.371 -6.529 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -5.389 -6.936 -5.180 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -6.340 -6.111 -6.399 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -3.613 -8.483 -6.354 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -4.347 -9.598 -7.512 1.00 0.00 H new ATOM 672 N ILE A 47 -2.176 -4.585 -4.093 1.00 0.00 N ATOM 673 CA ILE A 47 -0.783 -4.383 -3.699 1.00 0.00 C ATOM 674 C ILE A 47 0.073 -5.583 -4.097 1.00 0.00 C ATOM 675 O ILE A 47 -0.181 -6.711 -3.669 1.00 0.00 O ATOM 676 CB ILE A 47 -0.645 -4.148 -2.177 1.00 0.00 C ATOM 677 CG1 ILE A 47 -1.641 -3.087 -1.696 1.00 0.00 C ATOM 678 CG2 ILE A 47 0.778 -3.731 -1.837 1.00 0.00 C ATOM 679 CD1 ILE A 47 -1.873 -3.112 -0.203 1.00 0.00 C ATOM 0 H ILE A 47 -2.777 -4.938 -3.348 1.00 0.00 H new ATOM 0 HA ILE A 47 -0.434 -3.493 -4.222 1.00 0.00 H new ATOM 0 HB ILE A 47 -0.870 -5.083 -1.664 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -1.276 -2.101 -1.983 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -2.593 -3.235 -2.206 1.00 0.00 H new ATOM 0 HG21 ILE A 47 0.863 -3.568 -0.763 1.00 0.00 H new ATOM 0 HG22 ILE A 47 1.470 -4.517 -2.141 1.00 0.00 H new ATOM 0 HG23 ILE A 47 1.023 -2.809 -2.364 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -2.588 -2.335 0.067 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -2.268 -4.086 0.088 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -0.931 -2.933 0.315 1.00 0.00 H new ATOM 691 N LEU A 48 1.082 -5.333 -4.929 1.00 0.00 N ATOM 692 CA LEU A 48 1.973 -6.391 -5.395 1.00 0.00 C ATOM 693 C LEU A 48 3.338 -6.325 -4.703 1.00 0.00 C ATOM 694 O LEU A 48 3.967 -7.356 -4.466 1.00 0.00 O ATOM 695 CB LEU A 48 2.146 -6.301 -6.914 1.00 0.00 C ATOM 696 CG LEU A 48 0.860 -6.508 -7.725 1.00 0.00 C ATOM 697 CD1 LEU A 48 0.132 -5.187 -7.930 1.00 0.00 C ATOM 698 CD2 LEU A 48 1.170 -7.158 -9.067 1.00 0.00 C ATOM 0 H LEU A 48 1.302 -4.406 -5.294 1.00 0.00 H new ATOM 0 HA LEU A 48 1.517 -7.348 -5.139 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.560 -5.323 -7.160 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.879 -7.045 -7.226 1.00 0.00 H new ATOM 0 HG LEU A 48 0.208 -7.175 -7.161 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -0.777 -5.358 -8.507 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -0.129 -4.761 -6.961 1.00 0.00 H new ATOM 0 HD13 LEU A 48 0.779 -4.495 -8.469 1.00 0.00 H new ATOM 0 HD21 LEU A 48 0.245 -7.296 -9.627 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.845 -6.517 -9.634 1.00 0.00 H new ATOM 0 HD23 LEU A 48 1.642 -8.126 -8.902 1.00 0.00 H new ATOM 710 N ALA A 49 3.786 -5.110 -4.377 1.00 0.00 N ATOM 711 CA ALA A 49 5.072 -4.913 -3.712 1.00 0.00 C ATOM 712 C ALA A 49 4.958 -3.879 -2.595 1.00 0.00 C ATOM 713 O ALA A 49 4.320 -2.839 -2.761 1.00 0.00 O ATOM 714 CB ALA A 49 6.132 -4.486 -4.720 1.00 0.00 C ATOM 0 H ALA A 49 3.274 -4.248 -4.564 1.00 0.00 H new ATOM 0 HA ALA A 49 5.371 -5.862 -3.268 1.00 0.00 H new ATOM 0 HB1 ALA A 49 7.084 -4.343 -4.209 1.00 0.00 H new ATOM 0 HB2 ALA A 49 6.241 -5.258 -5.482 1.00 0.00 H new ATOM 0 HB3 ALA A 49 5.830 -3.551 -5.192 1.00 0.00 H new ATOM 720 N VAL A 50 5.589 -4.171 -1.457 1.00 0.00 N ATOM 721 CA VAL A 50 5.572 -3.270 -0.309 1.00 0.00 C ATOM 722 C VAL A 50 6.986 -3.097 0.227 1.00 0.00 C ATOM 723 O VAL A 50 7.551 -4.026 0.801 1.00 0.00 O ATOM 724 CB VAL A 50 4.656 -3.788 0.825 1.00 0.00 C ATOM 725 CG1 VAL A 50 4.392 -2.690 1.844 1.00 0.00 C ATOM 726 CG2 VAL A 50 3.346 -4.322 0.260 1.00 0.00 C ATOM 0 H VAL A 50 6.120 -5.029 -1.308 1.00 0.00 H new ATOM 0 HA VAL A 50 5.175 -2.314 -0.649 1.00 0.00 H new ATOM 0 HB VAL A 50 5.168 -4.608 1.329 1.00 0.00 H new ATOM 0 HG11 VAL A 50 3.746 -3.074 2.633 1.00 0.00 H new ATOM 0 HG12 VAL A 50 5.337 -2.360 2.276 1.00 0.00 H new ATOM 0 HG13 VAL A 50 3.904 -1.848 1.353 1.00 0.00 H new ATOM 0 HG21 VAL A 50 2.718 -4.681 1.075 1.00 0.00 H new ATOM 0 HG22 VAL A 50 2.828 -3.525 -0.274 1.00 0.00 H new ATOM 0 HG23 VAL A 50 3.554 -5.143 -0.426 1.00 0.00 H new ATOM 736 N ASN A 51 7.562 -1.914 0.006 1.00 0.00 N ATOM 737 CA ASN A 51 8.929 -1.629 0.438 1.00 0.00 C ATOM 738 C ASN A 51 9.917 -2.287 -0.525 1.00 0.00 C ATOM 739 O ASN A 51 10.990 -2.737 -0.125 1.00 0.00 O ATOM 740 CB ASN A 51 9.163 -2.110 1.879 1.00 0.00 C ATOM 741 CG ASN A 51 10.331 -1.409 2.549 1.00 0.00 C ATOM 742 OD1 ASN A 51 11.437 -1.947 2.613 1.00 0.00 O ATOM 743 ND2 ASN A 51 10.092 -0.204 3.059 1.00 0.00 N ATOM 0 H ASN A 51 7.102 -1.138 -0.470 1.00 0.00 H new ATOM 0 HA ASN A 51 9.086 -0.550 0.424 1.00 0.00 H new ATOM 0 HB2 ASN A 51 8.259 -1.942 2.465 1.00 0.00 H new ATOM 0 HB3 ASN A 51 9.344 -3.185 1.874 1.00 0.00 H new ATOM 0 HD21 ASN A 51 10.840 0.310 3.525 1.00 0.00 H new ATOM 0 HD22 ASN A 51 9.161 0.206 2.984 1.00 0.00 H new ATOM 750 N GLU A 52 9.521 -2.342 -1.804 1.00 0.00 N ATOM 751 CA GLU A 52 10.323 -2.941 -2.877 1.00 0.00 C ATOM 752 C GLU A 52 10.306 -4.477 -2.837 1.00 0.00 C ATOM 753 O GLU A 52 10.909 -5.126 -3.694 1.00 0.00 O ATOM 754 CB GLU A 52 11.767 -2.398 -2.858 1.00 0.00 C ATOM 755 CG GLU A 52 12.798 -3.300 -2.177 1.00 0.00 C ATOM 756 CD GLU A 52 14.177 -3.200 -2.807 1.00 0.00 C ATOM 757 OE1 GLU A 52 14.601 -2.074 -3.143 1.00 0.00 O ATOM 758 OE2 GLU A 52 14.835 -4.250 -2.960 1.00 0.00 O ATOM 0 H GLU A 52 8.628 -1.969 -2.124 1.00 0.00 H new ATOM 0 HA GLU A 52 9.860 -2.648 -3.819 1.00 0.00 H new ATOM 0 HB2 GLU A 52 12.085 -2.223 -3.886 1.00 0.00 H new ATOM 0 HB3 GLU A 52 11.767 -1.431 -2.355 1.00 0.00 H new ATOM 0 HG2 GLU A 52 12.866 -3.034 -1.122 1.00 0.00 H new ATOM 0 HG3 GLU A 52 12.456 -4.334 -2.224 1.00 0.00 H new ATOM 765 N ILE A 53 9.610 -5.057 -1.856 1.00 0.00 N ATOM 766 CA ILE A 53 9.523 -6.510 -1.740 1.00 0.00 C ATOM 767 C ILE A 53 8.099 -7.000 -1.998 1.00 0.00 C ATOM 768 O ILE A 53 7.161 -6.619 -1.293 1.00 0.00 O ATOM 769 CB ILE A 53 10.004 -7.003 -0.356 1.00 0.00 C ATOM 770 CG1 ILE A 53 9.399 -6.154 0.767 1.00 0.00 C ATOM 771 CG2 ILE A 53 11.524 -6.969 -0.288 1.00 0.00 C ATOM 772 CD1 ILE A 53 9.821 -6.594 2.152 1.00 0.00 C ATOM 0 H ILE A 53 9.102 -4.544 -1.136 1.00 0.00 H new ATOM 0 HA ILE A 53 10.183 -6.928 -2.500 1.00 0.00 H new ATOM 0 HB ILE A 53 9.668 -8.031 -0.221 1.00 0.00 H new ATOM 0 HG12 ILE A 53 9.689 -5.113 0.621 1.00 0.00 H new ATOM 0 HG13 ILE A 53 8.312 -6.195 0.697 1.00 0.00 H new ATOM 0 HG21 ILE A 53 11.852 -7.318 0.691 1.00 0.00 H new ATOM 0 HG22 ILE A 53 11.937 -7.616 -1.062 1.00 0.00 H new ATOM 0 HG23 ILE A 53 11.872 -5.948 -0.445 1.00 0.00 H new ATOM 0 HD11 ILE A 53 9.355 -5.949 2.897 1.00 0.00 H new ATOM 0 HD12 ILE A 53 9.507 -7.625 2.318 1.00 0.00 H new ATOM 0 HD13 ILE A 53 10.905 -6.526 2.241 1.00 0.00 H new ATOM 784 N ASN A 54 7.950 -7.840 -3.023 1.00 0.00 N ATOM 785 CA ASN A 54 6.649 -8.388 -3.402 1.00 0.00 C ATOM 786 C ASN A 54 6.058 -9.230 -2.277 1.00 0.00 C ATOM 787 O ASN A 54 6.658 -10.216 -1.847 1.00 0.00 O ATOM 788 CB ASN A 54 6.779 -9.238 -4.667 1.00 0.00 C ATOM 789 CG ASN A 54 6.890 -8.400 -5.925 1.00 0.00 C ATOM 790 OD1 ASN A 54 7.984 -7.996 -6.321 1.00 0.00 O ATOM 791 ND2 ASN A 54 5.756 -8.125 -6.562 1.00 0.00 N ATOM 0 H ASN A 54 8.722 -8.157 -3.609 1.00 0.00 H new ATOM 0 HA ASN A 54 5.978 -7.551 -3.596 1.00 0.00 H new ATOM 0 HB2 ASN A 54 7.658 -9.877 -4.582 1.00 0.00 H new ATOM 0 HB3 ASN A 54 5.914 -9.896 -4.749 1.00 0.00 H new ATOM 0 HD21 ASN A 54 5.772 -7.560 -7.411 1.00 0.00 H new ATOM 0 HD22 ASN A 54 4.870 -8.479 -6.201 1.00 0.00 H new ATOM 798 N VAL A 55 4.879 -8.836 -1.804 1.00 0.00 N ATOM 799 CA VAL A 55 4.209 -9.556 -0.723 1.00 0.00 C ATOM 800 C VAL A 55 2.719 -9.760 -1.015 1.00 0.00 C ATOM 801 O VAL A 55 1.892 -9.758 -0.102 1.00 0.00 O ATOM 802 CB VAL A 55 4.371 -8.818 0.622 1.00 0.00 C ATOM 803 CG1 VAL A 55 5.804 -8.940 1.128 1.00 0.00 C ATOM 804 CG2 VAL A 55 3.963 -7.353 0.492 1.00 0.00 C ATOM 0 H VAL A 55 4.368 -8.024 -2.151 1.00 0.00 H new ATOM 0 HA VAL A 55 4.686 -10.534 -0.655 1.00 0.00 H new ATOM 0 HB VAL A 55 3.709 -9.286 1.351 1.00 0.00 H new ATOM 0 HG11 VAL A 55 5.901 -8.414 2.078 1.00 0.00 H new ATOM 0 HG12 VAL A 55 6.052 -9.992 1.269 1.00 0.00 H new ATOM 0 HG13 VAL A 55 6.486 -8.502 0.399 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.086 -6.854 1.453 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.591 -6.865 -0.253 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.920 -7.292 0.183 1.00 0.00 H new ATOM 814 N LYS A 56 2.382 -9.941 -2.295 1.00 0.00 N ATOM 815 CA LYS A 56 0.991 -10.150 -2.704 1.00 0.00 C ATOM 816 C LYS A 56 0.396 -11.414 -2.079 1.00 0.00 C ATOM 817 O LYS A 56 -0.814 -11.490 -1.865 1.00 0.00 O ATOM 818 CB LYS A 56 0.883 -10.224 -4.229 1.00 0.00 C ATOM 819 CG LYS A 56 1.785 -11.272 -4.858 1.00 0.00 C ATOM 820 CD LYS A 56 1.393 -11.552 -6.301 1.00 0.00 C ATOM 821 CE LYS A 56 2.610 -11.602 -7.211 1.00 0.00 C ATOM 822 NZ LYS A 56 3.202 -10.251 -7.430 1.00 0.00 N ATOM 0 H LYS A 56 3.052 -9.947 -3.064 1.00 0.00 H new ATOM 0 HA LYS A 56 0.418 -9.296 -2.343 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -0.151 -10.438 -4.501 1.00 0.00 H new ATOM 0 HB3 LYS A 56 1.128 -9.248 -4.649 1.00 0.00 H new ATOM 0 HG2 LYS A 56 2.820 -10.932 -4.820 1.00 0.00 H new ATOM 0 HG3 LYS A 56 1.731 -12.194 -4.280 1.00 0.00 H new ATOM 0 HD2 LYS A 56 0.857 -12.500 -6.356 1.00 0.00 H new ATOM 0 HD3 LYS A 56 0.709 -10.779 -6.650 1.00 0.00 H new ATOM 0 HE2 LYS A 56 3.361 -12.260 -6.775 1.00 0.00 H new ATOM 0 HE3 LYS A 56 2.327 -12.033 -8.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 3.386 -10.113 -8.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 2.538 -9.523 -7.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 4.095 -10.173 -6.902 1.00 0.00 H new ATOM 836 N LYS A 57 1.247 -12.400 -1.792 1.00 0.00 N ATOM 837 CA LYS A 57 0.793 -13.651 -1.190 1.00 0.00 C ATOM 838 C LYS A 57 1.531 -13.937 0.125 1.00 0.00 C ATOM 839 O LYS A 57 1.677 -15.096 0.523 1.00 0.00 O ATOM 840 CB LYS A 57 0.998 -14.812 -2.168 1.00 0.00 C ATOM 841 CG LYS A 57 0.346 -14.591 -3.526 1.00 0.00 C ATOM 842 CD LYS A 57 -0.172 -15.890 -4.123 1.00 0.00 C ATOM 843 CE LYS A 57 -1.456 -16.346 -3.445 1.00 0.00 C ATOM 844 NZ LYS A 57 -1.195 -17.275 -2.305 1.00 0.00 N ATOM 0 H LYS A 57 2.251 -12.356 -1.967 1.00 0.00 H new ATOM 0 HA LYS A 57 -0.269 -13.550 -0.968 1.00 0.00 H new ATOM 0 HB2 LYS A 57 2.067 -14.972 -2.310 1.00 0.00 H new ATOM 0 HB3 LYS A 57 0.596 -15.723 -1.726 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -0.478 -13.885 -3.423 1.00 0.00 H new ATOM 0 HG3 LYS A 57 1.068 -14.141 -4.207 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -0.351 -15.755 -5.190 1.00 0.00 H new ATOM 0 HD3 LYS A 57 0.588 -16.665 -4.023 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -2.003 -15.475 -3.083 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -2.094 -16.842 -4.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -1.805 -18.112 -2.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -0.198 -17.570 -2.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -1.400 -16.790 -1.408 1.00 0.00 H new ATOM 858 N ALA A 58 1.994 -12.877 0.794 1.00 0.00 N ATOM 859 CA ALA A 58 2.714 -13.011 2.051 1.00 0.00 C ATOM 860 C ALA A 58 1.770 -12.920 3.250 1.00 0.00 C ATOM 861 O ALA A 58 0.559 -12.766 3.088 1.00 0.00 O ATOM 862 CB ALA A 58 3.797 -11.946 2.151 1.00 0.00 C ATOM 0 H ALA A 58 1.879 -11.914 0.479 1.00 0.00 H new ATOM 0 HA ALA A 58 3.178 -13.997 2.067 1.00 0.00 H new ATOM 0 HB1 ALA A 58 4.329 -12.056 3.096 1.00 0.00 H new ATOM 0 HB2 ALA A 58 4.498 -12.061 1.324 1.00 0.00 H new ATOM 0 HB3 ALA A 58 3.340 -10.957 2.105 1.00 0.00 H new ATOM 868 N SER A 59 2.338 -13.010 4.454 1.00 0.00 N ATOM 869 CA SER A 59 1.555 -12.932 5.682 1.00 0.00 C ATOM 870 C SER A 59 1.239 -11.491 6.026 1.00 0.00 C ATOM 871 O SER A 59 2.097 -10.611 5.950 1.00 0.00 O ATOM 872 CB SER A 59 2.290 -13.599 6.847 1.00 0.00 C ATOM 873 OG SER A 59 3.392 -14.369 6.396 1.00 0.00 O ATOM 0 H SER A 59 3.339 -13.137 4.602 1.00 0.00 H new ATOM 0 HA SER A 59 0.620 -13.466 5.513 1.00 0.00 H new ATOM 0 HB2 SER A 59 2.639 -12.836 7.543 1.00 0.00 H new ATOM 0 HB3 SER A 59 1.599 -14.239 7.396 1.00 0.00 H new ATOM 0 HG SER A 59 3.840 -14.780 7.164 1.00 0.00 H new ATOM 879 N HIS A 60 -0.009 -11.268 6.397 1.00 0.00 N ATOM 880 CA HIS A 60 -0.492 -9.943 6.753 1.00 0.00 C ATOM 881 C HIS A 60 0.353 -9.303 7.850 1.00 0.00 C ATOM 882 O HIS A 60 0.704 -8.126 7.757 1.00 0.00 O ATOM 883 CB HIS A 60 -1.945 -10.040 7.190 1.00 0.00 C ATOM 884 CG HIS A 60 -2.762 -8.858 6.785 1.00 0.00 C ATOM 885 ND1 HIS A 60 -3.223 -8.663 5.500 1.00 0.00 N ATOM 886 CD2 HIS A 60 -3.199 -7.799 7.507 1.00 0.00 C ATOM 887 CE1 HIS A 60 -3.910 -7.537 5.448 1.00 0.00 C ATOM 888 NE2 HIS A 60 -3.910 -6.993 6.651 1.00 0.00 N ATOM 0 H HIS A 60 -0.717 -11.999 6.460 1.00 0.00 H new ATOM 0 HA HIS A 60 -0.412 -9.303 5.875 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -2.386 -10.941 6.764 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -1.985 -10.147 8.274 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -3.022 -7.621 8.558 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -4.390 -7.130 4.571 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -4.365 -6.116 6.904 1.00 0.00 H new ATOM 897 N GLU A 61 0.684 -10.082 8.877 1.00 0.00 N ATOM 898 CA GLU A 61 1.498 -9.585 9.985 1.00 0.00 C ATOM 899 C GLU A 61 2.905 -9.243 9.505 1.00 0.00 C ATOM 900 O GLU A 61 3.510 -8.275 9.966 1.00 0.00 O ATOM 901 CB GLU A 61 1.569 -10.619 11.112 1.00 0.00 C ATOM 902 CG GLU A 61 0.276 -10.755 11.902 1.00 0.00 C ATOM 903 CD GLU A 61 0.496 -11.252 13.319 1.00 0.00 C ATOM 904 OE1 GLU A 61 1.237 -12.243 13.497 1.00 0.00 O ATOM 905 OE2 GLU A 61 -0.077 -10.653 14.254 1.00 0.00 O ATOM 0 H GLU A 61 0.402 -11.058 8.966 1.00 0.00 H new ATOM 0 HA GLU A 61 1.027 -8.680 10.370 1.00 0.00 H new ATOM 0 HB2 GLU A 61 1.828 -11.589 10.687 1.00 0.00 H new ATOM 0 HB3 GLU A 61 2.374 -10.345 11.794 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -0.226 -9.788 11.936 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -0.391 -11.442 11.381 1.00 0.00 H new ATOM 912 N ASP A 62 3.417 -10.033 8.563 1.00 0.00 N ATOM 913 CA ASP A 62 4.743 -9.796 8.009 1.00 0.00 C ATOM 914 C ASP A 62 4.729 -8.554 7.125 1.00 0.00 C ATOM 915 O ASP A 62 5.668 -7.757 7.142 1.00 0.00 O ATOM 916 CB ASP A 62 5.224 -11.006 7.200 1.00 0.00 C ATOM 917 CG ASP A 62 6.719 -11.229 7.334 1.00 0.00 C ATOM 918 OD1 ASP A 62 7.153 -11.717 8.397 1.00 0.00 O ATOM 919 OD2 ASP A 62 7.453 -10.911 6.376 1.00 0.00 O ATOM 0 H ASP A 62 2.933 -10.840 8.170 1.00 0.00 H new ATOM 0 HA ASP A 62 5.433 -9.639 8.838 1.00 0.00 H new ATOM 0 HB2 ASP A 62 4.694 -11.898 7.534 1.00 0.00 H new ATOM 0 HB3 ASP A 62 4.973 -10.861 6.149 1.00 0.00 H new ATOM 924 N VAL A 63 3.648 -8.391 6.362 1.00 0.00 N ATOM 925 CA VAL A 63 3.503 -7.244 5.475 1.00 0.00 C ATOM 926 C VAL A 63 3.354 -5.947 6.270 1.00 0.00 C ATOM 927 O VAL A 63 3.971 -4.935 5.935 1.00 0.00 O ATOM 928 CB VAL A 63 2.296 -7.405 4.523 1.00 0.00 C ATOM 929 CG1 VAL A 63 2.184 -6.210 3.588 1.00 0.00 C ATOM 930 CG2 VAL A 63 2.402 -8.701 3.728 1.00 0.00 C ATOM 0 H VAL A 63 2.862 -9.040 6.343 1.00 0.00 H new ATOM 0 HA VAL A 63 4.412 -7.194 4.876 1.00 0.00 H new ATOM 0 HB VAL A 63 1.391 -7.451 5.129 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.328 -6.344 2.927 1.00 0.00 H new ATOM 0 HG12 VAL A 63 2.051 -5.301 4.174 1.00 0.00 H new ATOM 0 HG13 VAL A 63 3.093 -6.128 2.992 1.00 0.00 H new ATOM 0 HG21 VAL A 63 1.542 -8.793 3.065 1.00 0.00 H new ATOM 0 HG22 VAL A 63 3.317 -8.691 3.136 1.00 0.00 H new ATOM 0 HG23 VAL A 63 2.423 -9.548 4.414 1.00 0.00 H new ATOM 940 N VAL A 64 2.560 -5.988 7.341 1.00 0.00 N ATOM 941 CA VAL A 64 2.360 -4.829 8.189 1.00 0.00 C ATOM 942 C VAL A 64 3.663 -4.474 8.887 1.00 0.00 C ATOM 943 O VAL A 64 3.993 -3.300 9.046 1.00 0.00 O ATOM 944 CB VAL A 64 1.238 -5.049 9.227 1.00 0.00 C ATOM 945 CG1 VAL A 64 -0.109 -5.204 8.537 1.00 0.00 C ATOM 946 CG2 VAL A 64 1.530 -6.247 10.114 1.00 0.00 C ATOM 0 H VAL A 64 2.046 -6.818 7.636 1.00 0.00 H new ATOM 0 HA VAL A 64 2.047 -4.002 7.551 1.00 0.00 H new ATOM 0 HB VAL A 64 1.199 -4.167 9.866 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -0.886 -5.358 9.286 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -0.330 -4.303 7.965 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -0.077 -6.062 7.865 1.00 0.00 H new ATOM 0 HG21 VAL A 64 0.721 -6.373 10.833 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.612 -7.143 9.499 1.00 0.00 H new ATOM 0 HG23 VAL A 64 2.467 -6.085 10.647 1.00 0.00 H new ATOM 956 N LYS A 65 4.405 -5.505 9.297 1.00 0.00 N ATOM 957 CA LYS A 65 5.681 -5.312 9.969 1.00 0.00 C ATOM 958 C LYS A 65 6.633 -4.497 9.096 1.00 0.00 C ATOM 959 O LYS A 65 7.351 -3.626 9.590 1.00 0.00 O ATOM 960 CB LYS A 65 6.315 -6.660 10.324 1.00 0.00 C ATOM 961 CG LYS A 65 7.409 -6.563 11.376 1.00 0.00 C ATOM 962 CD LYS A 65 7.423 -7.787 12.284 1.00 0.00 C ATOM 963 CE LYS A 65 8.559 -7.728 13.298 1.00 0.00 C ATOM 964 NZ LYS A 65 8.320 -6.704 14.358 1.00 0.00 N ATOM 0 H LYS A 65 4.139 -6.482 9.173 1.00 0.00 H new ATOM 0 HA LYS A 65 5.497 -4.761 10.891 1.00 0.00 H new ATOM 0 HB2 LYS A 65 5.537 -7.334 10.683 1.00 0.00 H new ATOM 0 HB3 LYS A 65 6.731 -7.105 9.420 1.00 0.00 H new ATOM 0 HG2 LYS A 65 8.378 -6.461 10.886 1.00 0.00 H new ATOM 0 HG3 LYS A 65 7.259 -5.666 11.976 1.00 0.00 H new ATOM 0 HD2 LYS A 65 6.471 -7.861 12.809 1.00 0.00 H new ATOM 0 HD3 LYS A 65 7.523 -8.688 11.678 1.00 0.00 H new ATOM 0 HE2 LYS A 65 8.680 -8.707 13.762 1.00 0.00 H new ATOM 0 HE3 LYS A 65 9.492 -7.503 12.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 9.119 -6.701 15.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 8.231 -5.765 13.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 7.444 -6.932 14.870 1.00 0.00 H new ATOM 978 N LEU A 66 6.624 -4.783 7.796 1.00 0.00 N ATOM 979 CA LEU A 66 7.479 -4.070 6.850 1.00 0.00 C ATOM 980 C LEU A 66 7.041 -2.614 6.717 1.00 0.00 C ATOM 981 O LEU A 66 7.875 -1.707 6.689 1.00 0.00 O ATOM 982 CB LEU A 66 7.464 -4.758 5.481 1.00 0.00 C ATOM 983 CG LEU A 66 7.928 -6.219 5.484 1.00 0.00 C ATOM 984 CD1 LEU A 66 7.435 -6.943 4.238 1.00 0.00 C ATOM 985 CD2 LEU A 66 9.446 -6.297 5.590 1.00 0.00 C ATOM 0 H LEU A 66 6.036 -5.502 7.374 1.00 0.00 H new ATOM 0 HA LEU A 66 8.499 -4.090 7.235 1.00 0.00 H new ATOM 0 HB2 LEU A 66 6.451 -4.715 5.081 1.00 0.00 H new ATOM 0 HB3 LEU A 66 8.100 -4.192 4.800 1.00 0.00 H new ATOM 0 HG LEU A 66 7.499 -6.714 6.355 1.00 0.00 H new ATOM 0 HD11 LEU A 66 7.775 -7.978 4.260 1.00 0.00 H new ATOM 0 HD12 LEU A 66 6.346 -6.920 4.211 1.00 0.00 H new ATOM 0 HD13 LEU A 66 7.831 -6.450 3.350 1.00 0.00 H new ATOM 0 HD21 LEU A 66 9.757 -7.342 5.591 1.00 0.00 H new ATOM 0 HD22 LEU A 66 9.897 -5.784 4.740 1.00 0.00 H new ATOM 0 HD23 LEU A 66 9.771 -5.821 6.515 1.00 0.00 H new ATOM 997 N ILE A 67 5.728 -2.393 6.645 1.00 0.00 N ATOM 998 CA ILE A 67 5.183 -1.040 6.527 1.00 0.00 C ATOM 999 C ILE A 67 5.389 -0.251 7.822 1.00 0.00 C ATOM 1000 O ILE A 67 5.697 0.943 7.786 1.00 0.00 O ATOM 1001 CB ILE A 67 3.678 -1.047 6.172 1.00 0.00 C ATOM 1002 CG1 ILE A 67 3.411 -1.937 4.951 1.00 0.00 C ATOM 1003 CG2 ILE A 67 3.181 0.372 5.915 1.00 0.00 C ATOM 1004 CD1 ILE A 67 2.045 -2.590 4.961 1.00 0.00 C ATOM 0 H ILE A 67 5.024 -3.131 6.666 1.00 0.00 H new ATOM 0 HA ILE A 67 5.726 -0.558 5.714 1.00 0.00 H new ATOM 0 HB ILE A 67 3.131 -1.457 7.021 1.00 0.00 H new ATOM 0 HG12 ILE A 67 3.511 -1.337 4.046 1.00 0.00 H new ATOM 0 HG13 ILE A 67 4.175 -2.713 4.904 1.00 0.00 H new ATOM 0 HG21 ILE A 67 2.120 0.347 5.667 1.00 0.00 H new ATOM 0 HG22 ILE A 67 3.330 0.977 6.809 1.00 0.00 H new ATOM 0 HG23 ILE A 67 3.737 0.808 5.085 1.00 0.00 H new ATOM 0 HD11 ILE A 67 1.928 -3.203 4.067 1.00 0.00 H new ATOM 0 HD12 ILE A 67 1.948 -3.217 5.847 1.00 0.00 H new ATOM 0 HD13 ILE A 67 1.274 -1.820 4.976 1.00 0.00 H new ATOM 1016 N GLY A 68 5.236 -0.930 8.961 1.00 0.00 N ATOM 1017 CA GLY A 68 5.425 -0.286 10.251 1.00 0.00 C ATOM 1018 C GLY A 68 6.830 0.271 10.418 1.00 0.00 C ATOM 1019 O GLY A 68 7.047 1.211 11.184 1.00 0.00 O ATOM 0 H GLY A 68 4.984 -1.917 9.011 1.00 0.00 H new ATOM 0 HA2 GLY A 68 4.701 0.521 10.361 1.00 0.00 H new ATOM 0 HA3 GLY A 68 5.225 -1.004 11.046 1.00 0.00 H new ATOM 1023 N LYS A 69 7.783 -0.307 9.682 1.00 0.00 N ATOM 1024 CA LYS A 69 9.177 0.129 9.722 1.00 0.00 C ATOM 1025 C LYS A 69 9.412 1.376 8.858 1.00 0.00 C ATOM 1026 O LYS A 69 10.550 1.834 8.722 1.00 0.00 O ATOM 1027 CB LYS A 69 10.076 -1.012 9.244 1.00 0.00 C ATOM 1028 CG LYS A 69 11.489 -0.968 9.803 1.00 0.00 C ATOM 1029 CD LYS A 69 11.678 -1.986 10.916 1.00 0.00 C ATOM 1030 CE LYS A 69 13.030 -2.679 10.816 1.00 0.00 C ATOM 1031 NZ LYS A 69 13.557 -3.073 12.152 1.00 0.00 N ATOM 0 H LYS A 69 7.609 -1.085 9.046 1.00 0.00 H new ATOM 0 HA LYS A 69 9.420 0.394 10.751 1.00 0.00 H new ATOM 0 HB2 LYS A 69 9.617 -1.961 9.521 1.00 0.00 H new ATOM 0 HB3 LYS A 69 10.127 -0.988 8.155 1.00 0.00 H new ATOM 0 HG2 LYS A 69 12.204 -1.164 9.004 1.00 0.00 H new ATOM 0 HG3 LYS A 69 11.701 0.032 10.183 1.00 0.00 H new ATOM 0 HD2 LYS A 69 11.593 -1.489 11.883 1.00 0.00 H new ATOM 0 HD3 LYS A 69 10.883 -2.730 10.869 1.00 0.00 H new ATOM 0 HE2 LYS A 69 12.937 -3.565 10.188 1.00 0.00 H new ATOM 0 HE3 LYS A 69 13.742 -2.014 10.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 14.479 -3.541 12.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 13.670 -2.226 12.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 12.891 -3.728 12.609 1.00 0.00 H new ATOM 1045 N CYS A 70 8.342 1.928 8.286 1.00 0.00 N ATOM 1046 CA CYS A 70 8.441 3.107 7.457 1.00 0.00 C ATOM 1047 C CYS A 70 7.902 4.316 8.202 1.00 0.00 C ATOM 1048 O CYS A 70 6.691 4.493 8.346 1.00 0.00 O ATOM 1049 CB CYS A 70 7.674 2.898 6.165 1.00 0.00 C ATOM 1050 SG CYS A 70 8.611 3.311 4.679 1.00 0.00 S ATOM 0 H CYS A 70 7.394 1.566 8.389 1.00 0.00 H new ATOM 0 HA CYS A 70 9.489 3.285 7.217 1.00 0.00 H new ATOM 0 HB2 CYS A 70 7.360 1.856 6.106 1.00 0.00 H new ATOM 0 HB3 CYS A 70 6.768 3.503 6.191 1.00 0.00 H new ATOM 0 HG CYS A 70 9.251 2.259 4.263 1.00 0.00 H new ATOM 1056 N SER A 71 8.822 5.136 8.671 1.00 0.00 N ATOM 1057 CA SER A 71 8.481 6.349 9.414 1.00 0.00 C ATOM 1058 C SER A 71 8.934 7.598 8.660 1.00 0.00 C ATOM 1059 O SER A 71 9.311 8.603 9.269 1.00 0.00 O ATOM 1060 CB SER A 71 9.112 6.313 10.811 1.00 0.00 C ATOM 1061 OG SER A 71 8.171 6.681 11.804 1.00 0.00 O ATOM 0 H SER A 71 9.824 4.988 8.552 1.00 0.00 H new ATOM 0 HA SER A 71 7.397 6.389 9.518 1.00 0.00 H new ATOM 0 HB2 SER A 71 9.490 5.312 11.017 1.00 0.00 H new ATOM 0 HB3 SER A 71 9.966 6.990 10.846 1.00 0.00 H new ATOM 0 HG SER A 71 8.597 6.649 12.686 1.00 0.00 H new ATOM 1067 N GLY A 72 8.888 7.527 7.332 1.00 0.00 N ATOM 1068 CA GLY A 72 9.289 8.647 6.506 1.00 0.00 C ATOM 1069 C GLY A 72 8.643 8.605 5.137 1.00 0.00 C ATOM 1070 O GLY A 72 8.005 9.570 4.711 1.00 0.00 O ATOM 0 H GLY A 72 8.577 6.706 6.813 1.00 0.00 H new ATOM 0 HA2 GLY A 72 9.021 9.579 7.004 1.00 0.00 H new ATOM 0 HA3 GLY A 72 10.373 8.645 6.395 1.00 0.00 H new ATOM 1074 N VAL A 73 8.807 7.475 4.445 1.00 0.00 N ATOM 1075 CA VAL A 73 8.233 7.305 3.114 1.00 0.00 C ATOM 1076 C VAL A 73 8.387 5.873 2.609 1.00 0.00 C ATOM 1077 O VAL A 73 9.474 5.296 2.660 1.00 0.00 O ATOM 1078 CB VAL A 73 8.872 8.277 2.104 1.00 0.00 C ATOM 1079 CG1 VAL A 73 10.391 8.168 2.120 1.00 0.00 C ATOM 1080 CG2 VAL A 73 8.324 8.050 0.700 1.00 0.00 C ATOM 0 H VAL A 73 9.331 6.669 4.785 1.00 0.00 H new ATOM 0 HA VAL A 73 7.170 7.528 3.201 1.00 0.00 H new ATOM 0 HB VAL A 73 8.607 9.290 2.407 1.00 0.00 H new ATOM 0 HG11 VAL A 73 10.813 8.866 1.397 1.00 0.00 H new ATOM 0 HG12 VAL A 73 10.763 8.408 3.116 1.00 0.00 H new ATOM 0 HG13 VAL A 73 10.686 7.152 1.858 1.00 0.00 H new ATOM 0 HG21 VAL A 73 8.793 8.750 0.009 1.00 0.00 H new ATOM 0 HG22 VAL A 73 8.541 7.029 0.385 1.00 0.00 H new ATOM 0 HG23 VAL A 73 7.246 8.208 0.700 1.00 0.00 H new ATOM 1090 N LEU A 74 7.282 5.309 2.120 1.00 0.00 N ATOM 1091 CA LEU A 74 7.277 3.942 1.603 1.00 0.00 C ATOM 1092 C LEU A 74 6.996 3.911 0.103 1.00 0.00 C ATOM 1093 O LEU A 74 6.310 4.785 -0.433 1.00 0.00 O ATOM 1094 CB LEU A 74 6.239 3.089 2.336 1.00 0.00 C ATOM 1095 CG LEU A 74 6.650 1.632 2.567 1.00 0.00 C ATOM 1096 CD1 LEU A 74 6.046 1.100 3.856 1.00 0.00 C ATOM 1097 CD2 LEU A 74 6.236 0.765 1.385 1.00 0.00 C ATOM 0 H LEU A 74 6.378 5.779 2.072 1.00 0.00 H new ATOM 0 HA LEU A 74 8.270 3.528 1.777 1.00 0.00 H new ATOM 0 HB2 LEU A 74 6.028 3.549 3.301 1.00 0.00 H new ATOM 0 HB3 LEU A 74 5.310 3.103 1.766 1.00 0.00 H new ATOM 0 HG LEU A 74 7.736 1.595 2.658 1.00 0.00 H new ATOM 0 HD11 LEU A 74 6.351 0.064 4.000 1.00 0.00 H new ATOM 0 HD12 LEU A 74 6.394 1.701 4.696 1.00 0.00 H new ATOM 0 HD13 LEU A 74 4.959 1.153 3.798 1.00 0.00 H new ATOM 0 HD21 LEU A 74 6.537 -0.267 1.568 1.00 0.00 H new ATOM 0 HD22 LEU A 74 5.154 0.811 1.261 1.00 0.00 H new ATOM 0 HD23 LEU A 74 6.721 1.129 0.479 1.00 0.00 H new ATOM 1109 N HIS A 75 7.521 2.885 -0.562 1.00 0.00 N ATOM 1110 CA HIS A 75 7.330 2.710 -1.998 1.00 0.00 C ATOM 1111 C HIS A 75 6.550 1.426 -2.274 1.00 0.00 C ATOM 1112 O HIS A 75 7.077 0.322 -2.124 1.00 0.00 O ATOM 1113 CB HIS A 75 8.684 2.680 -2.715 1.00 0.00 C ATOM 1114 CG HIS A 75 9.551 3.864 -2.406 1.00 0.00 C ATOM 1115 ND1 HIS A 75 10.924 3.784 -2.292 1.00 0.00 N ATOM 1116 CD2 HIS A 75 9.234 5.163 -2.178 1.00 0.00 C ATOM 1117 CE1 HIS A 75 11.412 4.978 -2.008 1.00 0.00 C ATOM 1118 NE2 HIS A 75 10.407 5.832 -1.935 1.00 0.00 N ATOM 0 H HIS A 75 8.086 2.157 -0.124 1.00 0.00 H new ATOM 0 HA HIS A 75 6.756 3.554 -2.380 1.00 0.00 H new ATOM 0 HB2 HIS A 75 9.214 1.769 -2.436 1.00 0.00 H new ATOM 0 HB3 HIS A 75 8.515 2.634 -3.791 1.00 0.00 H new ATOM 0 HD2 HIS A 75 8.243 5.591 -2.186 1.00 0.00 H new ATOM 0 HE1 HIS A 75 12.455 5.216 -1.861 1.00 0.00 H new ATOM 0 HE2 HIS A 75 10.490 6.828 -1.731 1.00 0.00 H new ATOM 1127 N MET A 76 5.285 1.581 -2.666 1.00 0.00 N ATOM 1128 CA MET A 76 4.419 0.440 -2.950 1.00 0.00 C ATOM 1129 C MET A 76 4.153 0.314 -4.446 1.00 0.00 C ATOM 1130 O MET A 76 4.055 1.314 -5.156 1.00 0.00 O ATOM 1131 CB MET A 76 3.085 0.578 -2.207 1.00 0.00 C ATOM 1132 CG MET A 76 3.227 0.981 -0.749 1.00 0.00 C ATOM 1133 SD MET A 76 3.296 2.770 -0.526 1.00 0.00 S ATOM 1134 CE MET A 76 2.832 2.914 1.197 1.00 0.00 C ATOM 0 H MET A 76 4.838 2.489 -2.794 1.00 0.00 H new ATOM 0 HA MET A 76 4.933 -0.458 -2.606 1.00 0.00 H new ATOM 0 HB2 MET A 76 2.471 1.318 -2.719 1.00 0.00 H new ATOM 0 HB3 MET A 76 2.552 -0.371 -2.260 1.00 0.00 H new ATOM 0 HG2 MET A 76 2.387 0.580 -0.182 1.00 0.00 H new ATOM 0 HG3 MET A 76 4.132 0.532 -0.339 1.00 0.00 H new ATOM 0 HE1 MET A 76 3.177 3.871 1.588 1.00 0.00 H new ATOM 0 HE2 MET A 76 1.747 2.855 1.288 1.00 0.00 H new ATOM 0 HE3 MET A 76 3.289 2.104 1.766 1.00 0.00 H new ATOM 1144 N VAL A 77 4.030 -0.924 -4.917 1.00 0.00 N ATOM 1145 CA VAL A 77 3.762 -1.188 -6.326 1.00 0.00 C ATOM 1146 C VAL A 77 2.418 -1.888 -6.494 1.00 0.00 C ATOM 1147 O VAL A 77 2.309 -3.103 -6.306 1.00 0.00 O ATOM 1148 CB VAL A 77 4.873 -2.043 -6.971 1.00 0.00 C ATOM 1149 CG1 VAL A 77 4.685 -2.118 -8.481 1.00 0.00 C ATOM 1150 CG2 VAL A 77 6.248 -1.483 -6.629 1.00 0.00 C ATOM 0 H VAL A 77 4.112 -1.762 -4.341 1.00 0.00 H new ATOM 0 HA VAL A 77 3.736 -0.224 -6.834 1.00 0.00 H new ATOM 0 HB VAL A 77 4.805 -3.053 -6.567 1.00 0.00 H new ATOM 0 HG11 VAL A 77 5.478 -2.725 -8.917 1.00 0.00 H new ATOM 0 HG12 VAL A 77 3.718 -2.569 -8.705 1.00 0.00 H new ATOM 0 HG13 VAL A 77 4.724 -1.114 -8.903 1.00 0.00 H new ATOM 0 HG21 VAL A 77 7.018 -2.100 -7.093 1.00 0.00 H new ATOM 0 HG22 VAL A 77 6.328 -0.462 -7.001 1.00 0.00 H new ATOM 0 HG23 VAL A 77 6.384 -1.486 -5.547 1.00 0.00 H new ATOM 1160 N ILE A 78 1.395 -1.109 -6.836 1.00 0.00 N ATOM 1161 CA ILE A 78 0.045 -1.636 -7.025 1.00 0.00 C ATOM 1162 C ILE A 78 -0.289 -1.802 -8.509 1.00 0.00 C ATOM 1163 O ILE A 78 0.470 -1.369 -9.380 1.00 0.00 O ATOM 1164 CB ILE A 78 -1.016 -0.722 -6.370 1.00 0.00 C ATOM 1165 CG1 ILE A 78 -0.843 0.732 -6.833 1.00 0.00 C ATOM 1166 CG2 ILE A 78 -0.936 -0.815 -4.852 1.00 0.00 C ATOM 1167 CD1 ILE A 78 -1.985 1.638 -6.430 1.00 0.00 C ATOM 0 H ILE A 78 1.476 -0.104 -6.989 1.00 0.00 H new ATOM 0 HA ILE A 78 0.023 -2.613 -6.542 1.00 0.00 H new ATOM 0 HB ILE A 78 -2.002 -1.063 -6.685 1.00 0.00 H new ATOM 0 HG12 ILE A 78 0.086 1.127 -6.421 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -0.743 0.749 -7.918 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -1.690 -0.165 -4.407 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -1.115 -1.844 -4.541 1.00 0.00 H new ATOM 0 HG23 ILE A 78 0.054 -0.502 -4.520 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -1.793 2.648 -6.791 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -2.914 1.268 -6.864 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -2.072 1.652 -5.344 1.00 0.00 H new ATOM 1179 N ALA A 79 -1.431 -2.427 -8.786 1.00 0.00 N ATOM 1180 CA ALA A 79 -1.876 -2.651 -10.161 1.00 0.00 C ATOM 1181 C ALA A 79 -3.340 -2.258 -10.336 1.00 0.00 C ATOM 1182 O ALA A 79 -4.147 -2.403 -9.413 1.00 0.00 O ATOM 1183 CB ALA A 79 -1.670 -4.105 -10.555 1.00 0.00 C ATOM 0 H ALA A 79 -2.067 -2.788 -8.075 1.00 0.00 H new ATOM 0 HA ALA A 79 -1.275 -2.020 -10.816 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -2.006 -4.255 -11.581 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -0.612 -4.356 -10.479 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -2.244 -4.748 -9.887 1.00 0.00 H new ATOM 1189 N GLU A 80 -3.675 -1.762 -11.529 1.00 0.00 N ATOM 1190 CA GLU A 80 -5.043 -1.347 -11.834 1.00 0.00 C ATOM 1191 C GLU A 80 -6.011 -2.521 -11.724 1.00 0.00 C ATOM 1192 O GLU A 80 -5.864 -3.529 -12.417 1.00 0.00 O ATOM 1193 CB GLU A 80 -5.119 -0.733 -13.235 1.00 0.00 C ATOM 1194 CG GLU A 80 -6.014 0.493 -13.316 1.00 0.00 C ATOM 1195 CD GLU A 80 -5.388 1.718 -12.676 1.00 0.00 C ATOM 1196 OE1 GLU A 80 -5.420 1.820 -11.432 1.00 0.00 O ATOM 1197 OE2 GLU A 80 -4.864 2.574 -13.419 1.00 0.00 O ATOM 0 H GLU A 80 -3.017 -1.639 -12.298 1.00 0.00 H new ATOM 0 HA GLU A 80 -5.334 -0.594 -11.102 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -4.114 -0.461 -13.558 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -5.485 -1.486 -13.933 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -6.236 0.708 -14.361 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -6.964 0.278 -12.826 1.00 0.00 H new