USER MOD reduce.3.24.130724 H: found=0, std=0, add=654, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 656 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 13 GLN : amide:sc= 0.0706 K(o=1.7,f=-4!) USER MOD Set 1.2: A 88 SER OG : rot 70:sc= 1.65 USER MOD Set 2.1: A 55 TYR OH : rot 0:sc= -1.21 USER MOD Set 2.2: A 79 TYR OH : rot -31:sc= -0.799 USER MOD Set 3.1: A 39 LYS NZ :NH3+ -155:sc= 0 (180deg=0) USER MOD Set 3.2: A 82 MET CE :methyl -107:sc= -0.152 (180deg=-1.73) USER MOD Single : A 9 MET CE :methyl 156:sc= -0.559 (180deg=-1.35) USER MOD Single : A 11 THR OG1 : rot 160:sc= -1.04 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 59:sc= 0.339 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 CYS SG : rot 20:sc= 0.81 USER MOD Single : A 29 CYS SG : rot -111:sc= -0.548 USER MOD Single : A 32 SER OG : rot 160:sc= 0.122 USER MOD Single : A 37 ASN :FLIP amide:sc= -0.32! F(o=-0.99,f=-0.32!) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN :FLIP amide:sc= 1.02 F(o=-0.19,f=1) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 178:sc= 0.212 (180deg=0.18) USER MOD Single : A 64 HIS : no HD1:sc= -3.3! X(o=-3.3!,f=-3.7) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0.00418 USER MOD Single : A 73 LYS NZ :NH3+ -140:sc= 1.18 (180deg=0.307) USER MOD Single : A 80 SER OG : rot 180:sc= -0.428 USER MOD Single : A 83 THR OG1 : rot 129:sc= 0.205 USER MOD Single : A 84 THR OG1 : rot 135:sc= -0.596 USER MOD Single : A 87 GLN : amide:sc= -2.17! C(o=-2.2!,f=-2.9!) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -20.551 -3.187 -2.240 1.00 0.00 N ATOM 60 CA GLY A 7 -19.121 -3.014 -2.417 1.00 0.00 C ATOM 61 C GLY A 7 -18.473 -2.306 -1.244 1.00 0.00 C ATOM 62 O GLY A 7 -19.162 -1.806 -0.355 1.00 0.00 O ATOM 0 HA2 GLY A 7 -18.654 -3.990 -2.551 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -18.937 -2.444 -3.328 1.00 0.00 H new ATOM 66 N ILE A 8 -17.145 -2.265 -1.240 1.00 0.00 N ATOM 67 CA ILE A 8 -16.404 -1.614 -0.167 1.00 0.00 C ATOM 68 C ILE A 8 -15.825 -0.281 -0.628 1.00 0.00 C ATOM 69 O ILE A 8 -15.125 -0.214 -1.638 1.00 0.00 O ATOM 70 CB ILE A 8 -15.261 -2.507 0.351 1.00 0.00 C ATOM 71 CG1 ILE A 8 -15.827 -3.771 1.001 1.00 0.00 C ATOM 72 CG2 ILE A 8 -14.394 -1.739 1.337 1.00 0.00 C ATOM 73 CD1 ILE A 8 -14.776 -4.816 1.305 1.00 0.00 C ATOM 0 H ILE A 8 -16.560 -2.675 -1.968 1.00 0.00 H new ATOM 0 HA ILE A 8 -17.112 -1.438 0.643 1.00 0.00 H new ATOM 0 HB ILE A 8 -14.639 -2.803 -0.494 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -16.335 -3.498 1.926 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -16.578 -4.204 0.341 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -13.591 -2.384 1.694 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -13.967 -0.866 0.843 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -15.002 -1.416 2.182 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -15.248 -5.684 1.764 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -14.284 -5.117 0.380 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -14.037 -4.400 1.990 1.00 0.00 H new ATOM 85 N MET A 9 -16.119 0.777 0.120 1.00 0.00 N ATOM 86 CA MET A 9 -15.624 2.108 -0.212 1.00 0.00 C ATOM 87 C MET A 9 -14.493 2.516 0.727 1.00 0.00 C ATOM 88 O MET A 9 -14.559 2.281 1.933 1.00 0.00 O ATOM 89 CB MET A 9 -16.759 3.131 -0.136 1.00 0.00 C ATOM 90 CG MET A 9 -18.060 2.642 -0.754 1.00 0.00 C ATOM 91 SD MET A 9 -17.943 2.427 -2.540 1.00 0.00 S ATOM 92 CE MET A 9 -18.643 0.790 -2.731 1.00 0.00 C ATOM 0 H MET A 9 -16.697 0.739 0.960 1.00 0.00 H new ATOM 0 HA MET A 9 -15.236 2.081 -1.230 1.00 0.00 H new ATOM 0 HB2 MET A 9 -16.936 3.388 0.908 1.00 0.00 H new ATOM 0 HB3 MET A 9 -16.448 4.045 -0.641 1.00 0.00 H new ATOM 0 HG2 MET A 9 -18.342 1.694 -0.296 1.00 0.00 H new ATOM 0 HG3 MET A 9 -18.855 3.353 -0.529 1.00 0.00 H new ATOM 0 HE1 MET A 9 -19.033 0.677 -3.743 1.00 0.00 H new ATOM 0 HE2 MET A 9 -17.871 0.041 -2.553 1.00 0.00 H new ATOM 0 HE3 MET A 9 -19.452 0.654 -2.013 1.00 0.00 H new ATOM 102 N VAL A 10 -13.456 3.129 0.165 1.00 0.00 N ATOM 103 CA VAL A 10 -12.310 3.570 0.952 1.00 0.00 C ATOM 104 C VAL A 10 -12.611 4.879 1.674 1.00 0.00 C ATOM 105 O VAL A 10 -12.546 5.957 1.082 1.00 0.00 O ATOM 106 CB VAL A 10 -11.062 3.759 0.069 1.00 0.00 C ATOM 107 CG1 VAL A 10 -9.924 4.364 0.876 1.00 0.00 C ATOM 108 CG2 VAL A 10 -10.643 2.434 -0.550 1.00 0.00 C ATOM 0 H VAL A 10 -13.386 3.332 -0.832 1.00 0.00 H new ATOM 0 HA VAL A 10 -12.111 2.790 1.687 1.00 0.00 H new ATOM 0 HB VAL A 10 -11.309 4.449 -0.738 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -9.051 4.490 0.236 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -10.231 5.334 1.267 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -9.674 3.702 1.705 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -9.760 2.585 -1.171 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -10.413 1.720 0.241 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -11.456 2.046 -1.164 1.00 0.00 H new ATOM 118 N THR A 11 -12.942 4.778 2.957 1.00 0.00 N ATOM 119 CA THR A 11 -13.254 5.953 3.761 1.00 0.00 C ATOM 120 C THR A 11 -12.032 6.850 3.921 1.00 0.00 C ATOM 121 O THR A 11 -12.119 8.069 3.768 1.00 0.00 O ATOM 122 CB THR A 11 -13.772 5.557 5.157 1.00 0.00 C ATOM 123 OG1 THR A 11 -12.720 4.954 5.917 1.00 0.00 O ATOM 124 CG2 THR A 11 -14.943 4.592 5.046 1.00 0.00 C ATOM 0 H THR A 11 -13.001 3.894 3.462 1.00 0.00 H new ATOM 0 HA THR A 11 -14.036 6.499 3.233 1.00 0.00 H new ATOM 0 HB THR A 11 -14.113 6.460 5.663 1.00 0.00 H new ATOM 0 HG1 THR A 11 -12.939 4.998 6.871 1.00 0.00 H new ATOM 0 HG21 THR A 11 -15.292 4.327 6.044 1.00 0.00 H new ATOM 0 HG22 THR A 11 -15.754 5.066 4.492 1.00 0.00 H new ATOM 0 HG23 THR A 11 -14.624 3.691 4.522 1.00 0.00 H new ATOM 132 N LYS A 12 -10.892 6.240 4.229 1.00 0.00 N ATOM 133 CA LYS A 12 -9.651 6.983 4.407 1.00 0.00 C ATOM 134 C LYS A 12 -8.683 6.710 3.260 1.00 0.00 C ATOM 135 O LYS A 12 -7.929 5.738 3.291 1.00 0.00 O ATOM 136 CB LYS A 12 -8.996 6.610 5.740 1.00 0.00 C ATOM 137 CG LYS A 12 -7.856 7.531 6.136 1.00 0.00 C ATOM 138 CD LYS A 12 -7.341 7.214 7.530 1.00 0.00 C ATOM 139 CE LYS A 12 -5.887 7.627 7.695 1.00 0.00 C ATOM 140 NZ LYS A 12 -5.725 9.107 7.679 1.00 0.00 N ATOM 0 H LYS A 12 -10.803 5.232 4.360 1.00 0.00 H new ATOM 0 HA LYS A 12 -9.891 8.046 4.411 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -9.753 6.625 6.524 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -8.622 5.588 5.678 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -7.043 7.435 5.416 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -8.194 8.567 6.099 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -7.953 7.729 8.271 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -7.441 6.146 7.721 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -5.501 7.230 8.634 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -5.292 7.188 6.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -4.720 9.347 7.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -6.070 9.484 6.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -6.272 9.525 8.459 1.00 0.00 H new ATOM 154 N GLN A 13 -8.710 7.575 2.251 1.00 0.00 N ATOM 155 CA GLN A 13 -7.835 7.426 1.094 1.00 0.00 C ATOM 156 C GLN A 13 -6.376 7.639 1.485 1.00 0.00 C ATOM 157 O GLN A 13 -6.078 8.330 2.461 1.00 0.00 O ATOM 158 CB GLN A 13 -8.231 8.416 -0.003 1.00 0.00 C ATOM 159 CG GLN A 13 -9.649 8.221 -0.514 1.00 0.00 C ATOM 160 CD GLN A 13 -9.728 7.219 -1.649 1.00 0.00 C ATOM 161 OE1 GLN A 13 -8.743 6.972 -2.344 1.00 0.00 O ATOM 162 NE2 GLN A 13 -10.905 6.634 -1.842 1.00 0.00 N ATOM 0 H GLN A 13 -9.328 8.386 2.211 1.00 0.00 H new ATOM 0 HA GLN A 13 -7.946 6.410 0.714 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -8.128 9.431 0.381 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -7.536 8.318 -0.837 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -10.284 7.886 0.306 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -10.044 9.179 -0.852 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -11.696 6.869 -1.242 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -11.018 5.950 -2.590 1.00 0.00 H new ATOM 171 N LEU A 14 -5.470 7.042 0.718 1.00 0.00 N ATOM 172 CA LEU A 14 -4.041 7.166 0.984 1.00 0.00 C ATOM 173 C LEU A 14 -3.588 8.618 0.861 1.00 0.00 C ATOM 174 O LEU A 14 -4.239 9.426 0.199 1.00 0.00 O ATOM 175 CB LEU A 14 -3.244 6.288 0.018 1.00 0.00 C ATOM 176 CG LEU A 14 -3.596 4.800 0.019 1.00 0.00 C ATOM 177 CD1 LEU A 14 -3.078 4.128 -1.244 1.00 0.00 C ATOM 178 CD2 LEU A 14 -3.033 4.119 1.257 1.00 0.00 C ATOM 0 H LEU A 14 -5.700 6.467 -0.093 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.857 6.832 2.005 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.384 6.674 -0.992 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.185 6.391 0.254 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.682 4.703 0.038 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.338 3.070 -1.226 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.530 4.598 -2.118 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.994 4.235 -1.295 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.294 3.061 1.240 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -1.948 4.226 1.269 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -3.453 4.582 2.150 1.00 0.00 H new ATOM 190 N GLU A 15 -2.469 8.939 1.501 1.00 0.00 N ATOM 191 CA GLU A 15 -1.929 10.293 1.461 1.00 0.00 C ATOM 192 C GLU A 15 -0.449 10.279 1.087 1.00 0.00 C ATOM 193 O GLU A 15 0.326 9.479 1.610 1.00 0.00 O ATOM 194 CB GLU A 15 -2.116 10.981 2.815 1.00 0.00 C ATOM 195 CG GLU A 15 -1.375 10.299 3.952 1.00 0.00 C ATOM 196 CD GLU A 15 -1.517 11.039 5.268 1.00 0.00 C ATOM 197 OE1 GLU A 15 -1.450 12.286 5.259 1.00 0.00 O ATOM 198 OE2 GLU A 15 -1.696 10.370 6.308 1.00 0.00 O ATOM 0 H GLU A 15 -1.919 8.281 2.053 1.00 0.00 H new ATOM 0 HA GLU A 15 -2.474 10.850 0.699 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.775 12.014 2.738 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -3.179 11.013 3.053 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -1.752 9.283 4.068 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -0.318 10.220 3.696 1.00 0.00 H new ATOM 205 N ASP A 16 -0.067 11.168 0.177 1.00 0.00 N ATOM 206 CA ASP A 16 1.319 11.258 -0.268 1.00 0.00 C ATOM 207 C ASP A 16 2.279 11.088 0.905 1.00 0.00 C ATOM 208 O ASP A 16 2.042 11.608 1.996 1.00 0.00 O ATOM 209 CB ASP A 16 1.569 12.601 -0.957 1.00 0.00 C ATOM 210 CG ASP A 16 3.009 13.058 -0.829 1.00 0.00 C ATOM 211 OD1 ASP A 16 3.876 12.490 -1.525 1.00 0.00 O ATOM 212 OD2 ASP A 16 3.269 13.983 -0.031 1.00 0.00 O ATOM 0 H ASP A 16 -0.697 11.836 -0.267 1.00 0.00 H new ATOM 0 HA ASP A 16 1.499 10.453 -0.981 1.00 0.00 H new ATOM 0 HB2 ASP A 16 1.309 12.518 -2.012 1.00 0.00 H new ATOM 0 HB3 ASP A 16 0.912 13.356 -0.525 1.00 0.00 H new ATOM 217 N THR A 17 3.364 10.355 0.674 1.00 0.00 N ATOM 218 CA THR A 17 4.359 10.114 1.712 1.00 0.00 C ATOM 219 C THR A 17 5.772 10.178 1.144 1.00 0.00 C ATOM 220 O THR A 17 6.039 9.671 0.054 1.00 0.00 O ATOM 221 CB THR A 17 4.149 8.744 2.384 1.00 0.00 C ATOM 222 OG1 THR A 17 2.854 8.689 2.991 1.00 0.00 O ATOM 223 CG2 THR A 17 5.219 8.487 3.434 1.00 0.00 C ATOM 0 H THR A 17 3.576 9.918 -0.223 1.00 0.00 H new ATOM 0 HA THR A 17 4.234 10.899 2.458 1.00 0.00 H new ATOM 0 HB THR A 17 4.222 7.973 1.617 1.00 0.00 H new ATOM 0 HG1 THR A 17 2.167 8.841 2.309 1.00 0.00 H new ATOM 0 HG21 THR A 17 5.050 7.514 3.895 1.00 0.00 H new ATOM 0 HG22 THR A 17 6.202 8.500 2.963 1.00 0.00 H new ATOM 0 HG23 THR A 17 5.173 9.263 4.198 1.00 0.00 H new ATOM 231 N THR A 18 6.677 10.805 1.891 1.00 0.00 N ATOM 232 CA THR A 18 8.063 10.935 1.461 1.00 0.00 C ATOM 233 C THR A 18 9.014 10.304 2.473 1.00 0.00 C ATOM 234 O THR A 18 9.210 10.832 3.567 1.00 0.00 O ATOM 235 CB THR A 18 8.452 12.412 1.261 1.00 0.00 C ATOM 236 OG1 THR A 18 7.673 12.985 0.205 1.00 0.00 O ATOM 237 CG2 THR A 18 9.932 12.542 0.933 1.00 0.00 C ATOM 0 H THR A 18 6.474 11.230 2.796 1.00 0.00 H new ATOM 0 HA THR A 18 8.149 10.411 0.509 1.00 0.00 H new ATOM 0 HB THR A 18 8.253 12.946 2.190 1.00 0.00 H new ATOM 0 HG1 THR A 18 7.925 13.924 0.085 1.00 0.00 H new ATOM 0 HG21 THR A 18 10.183 13.594 0.796 1.00 0.00 H new ATOM 0 HG22 THR A 18 10.523 12.131 1.751 1.00 0.00 H new ATOM 0 HG23 THR A 18 10.151 11.994 0.016 1.00 0.00 H new ATOM 245 N ALA A 19 9.601 9.172 2.099 1.00 0.00 N ATOM 246 CA ALA A 19 10.534 8.471 2.973 1.00 0.00 C ATOM 247 C ALA A 19 11.960 8.563 2.441 1.00 0.00 C ATOM 248 O ALA A 19 12.196 9.108 1.362 1.00 0.00 O ATOM 249 CB ALA A 19 10.119 7.015 3.127 1.00 0.00 C ATOM 0 H ALA A 19 9.447 8.721 1.197 1.00 0.00 H new ATOM 0 HA ALA A 19 10.508 8.951 3.951 1.00 0.00 H new ATOM 0 HB1 ALA A 19 10.824 6.503 3.782 1.00 0.00 H new ATOM 0 HB2 ALA A 19 9.120 6.965 3.560 1.00 0.00 H new ATOM 0 HB3 ALA A 19 10.116 6.532 2.150 1.00 0.00 H new ATOM 255 N TYR A 20 12.906 8.029 3.204 1.00 0.00 N ATOM 256 CA TYR A 20 14.310 8.054 2.811 1.00 0.00 C ATOM 257 C TYR A 20 14.767 6.679 2.335 1.00 0.00 C ATOM 258 O TYR A 20 14.031 5.697 2.440 1.00 0.00 O ATOM 259 CB TYR A 20 15.181 8.517 3.980 1.00 0.00 C ATOM 260 CG TYR A 20 15.167 10.014 4.190 1.00 0.00 C ATOM 261 CD1 TYR A 20 15.947 10.853 3.404 1.00 0.00 C ATOM 262 CD2 TYR A 20 14.373 10.590 5.174 1.00 0.00 C ATOM 263 CE1 TYR A 20 15.938 12.222 3.593 1.00 0.00 C ATOM 264 CE2 TYR A 20 14.356 11.958 5.369 1.00 0.00 C ATOM 265 CZ TYR A 20 15.141 12.769 4.576 1.00 0.00 C ATOM 266 OH TYR A 20 15.128 14.132 4.767 1.00 0.00 O ATOM 0 H TYR A 20 12.727 7.573 4.099 1.00 0.00 H new ATOM 0 HA TYR A 20 14.417 8.758 1.986 1.00 0.00 H new ATOM 0 HB2 TYR A 20 14.840 8.027 4.892 1.00 0.00 H new ATOM 0 HB3 TYR A 20 16.207 8.192 3.808 1.00 0.00 H new ATOM 0 HD1 TYR A 20 16.571 10.428 2.632 1.00 0.00 H new ATOM 0 HD2 TYR A 20 13.758 9.958 5.797 1.00 0.00 H new ATOM 0 HE1 TYR A 20 16.552 12.860 2.974 1.00 0.00 H new ATOM 0 HE2 TYR A 20 13.732 12.390 6.138 1.00 0.00 H new ATOM 0 HH TYR A 20 14.513 14.354 5.497 1.00 0.00 H new ATOM 276 N CYS A 21 15.987 6.616 1.813 1.00 0.00 N ATOM 277 CA CYS A 21 16.545 5.361 1.321 1.00 0.00 C ATOM 278 C CYS A 21 16.794 4.389 2.469 1.00 0.00 C ATOM 279 O CYS A 21 17.599 4.658 3.360 1.00 0.00 O ATOM 280 CB CYS A 21 17.848 5.620 0.564 1.00 0.00 C ATOM 281 SG CYS A 21 19.227 6.123 1.619 1.00 0.00 S ATOM 0 H CYS A 21 16.609 7.419 1.719 1.00 0.00 H new ATOM 0 HA CYS A 21 15.821 4.913 0.641 1.00 0.00 H new ATOM 0 HB2 CYS A 21 18.128 4.715 0.025 1.00 0.00 H new ATOM 0 HB3 CYS A 21 17.674 6.395 -0.182 1.00 0.00 H new ATOM 0 HG CYS A 21 18.982 5.776 2.848 1.00 0.00 H new ATOM 287 N GLY A 22 16.096 3.258 2.442 1.00 0.00 N ATOM 288 CA GLY A 22 16.254 2.263 3.487 1.00 0.00 C ATOM 289 C GLY A 22 15.219 2.406 4.585 1.00 0.00 C ATOM 290 O GLY A 22 14.946 1.455 5.316 1.00 0.00 O ATOM 0 H GLY A 22 15.424 3.013 1.715 1.00 0.00 H new ATOM 0 HA2 GLY A 22 16.181 1.267 3.050 1.00 0.00 H new ATOM 0 HA3 GLY A 22 17.251 2.349 3.919 1.00 0.00 H new ATOM 294 N GLU A 23 14.644 3.599 4.703 1.00 0.00 N ATOM 295 CA GLU A 23 13.635 3.863 5.722 1.00 0.00 C ATOM 296 C GLU A 23 12.445 2.921 5.566 1.00 0.00 C ATOM 297 O GLU A 23 12.314 2.232 4.554 1.00 0.00 O ATOM 298 CB GLU A 23 13.164 5.316 5.641 1.00 0.00 C ATOM 299 CG GLU A 23 13.976 6.268 6.504 1.00 0.00 C ATOM 300 CD GLU A 23 13.322 7.629 6.644 1.00 0.00 C ATOM 301 OE1 GLU A 23 12.398 7.926 5.859 1.00 0.00 O ATOM 302 OE2 GLU A 23 13.735 8.396 7.539 1.00 0.00 O ATOM 0 H GLU A 23 14.860 4.397 4.106 1.00 0.00 H new ATOM 0 HA GLU A 23 14.088 3.690 6.698 1.00 0.00 H new ATOM 0 HB2 GLU A 23 13.213 5.648 4.604 1.00 0.00 H new ATOM 0 HB3 GLU A 23 12.118 5.367 5.943 1.00 0.00 H new ATOM 0 HG2 GLU A 23 14.111 5.830 7.493 1.00 0.00 H new ATOM 0 HG3 GLU A 23 14.969 6.389 6.070 1.00 0.00 H new ATOM 309 N ARG A 24 11.580 2.898 6.574 1.00 0.00 N ATOM 310 CA ARG A 24 10.401 2.040 6.551 1.00 0.00 C ATOM 311 C ARG A 24 9.143 2.854 6.262 1.00 0.00 C ATOM 312 O ARG A 24 8.791 3.761 7.016 1.00 0.00 O ATOM 313 CB ARG A 24 10.252 1.305 7.884 1.00 0.00 C ATOM 314 CG ARG A 24 8.928 0.572 8.030 1.00 0.00 C ATOM 315 CD ARG A 24 8.530 0.426 9.491 1.00 0.00 C ATOM 316 NE ARG A 24 7.162 -0.061 9.639 1.00 0.00 N ATOM 317 CZ ARG A 24 6.628 -0.408 10.805 1.00 0.00 C ATOM 318 NH1 ARG A 24 7.343 -0.321 11.918 1.00 0.00 N ATOM 319 NH2 ARG A 24 5.375 -0.842 10.859 1.00 0.00 N ATOM 0 H ARG A 24 11.673 3.464 7.418 1.00 0.00 H new ATOM 0 HA ARG A 24 10.530 1.308 5.754 1.00 0.00 H new ATOM 0 HB2 ARG A 24 11.067 0.589 7.988 1.00 0.00 H new ATOM 0 HB3 ARG A 24 10.352 2.023 8.698 1.00 0.00 H new ATOM 0 HG2 ARG A 24 8.150 1.114 7.492 1.00 0.00 H new ATOM 0 HG3 ARG A 24 9.004 -0.414 7.572 1.00 0.00 H new ATOM 0 HD2 ARG A 24 9.215 -0.262 9.986 1.00 0.00 H new ATOM 0 HD3 ARG A 24 8.628 1.389 9.991 1.00 0.00 H new ATOM 0 HE ARG A 24 6.585 -0.139 8.802 1.00 0.00 H new ATOM 0 HH11 ARG A 24 8.306 0.013 11.881 1.00 0.00 H new ATOM 0 HH12 ARG A 24 6.930 -0.588 12.812 1.00 0.00 H new ATOM 0 HH21 ARG A 24 4.821 -0.909 10.005 1.00 0.00 H new ATOM 0 HH22 ARG A 24 4.966 -1.108 11.755 1.00 0.00 H new ATOM 333 N VAL A 25 8.468 2.522 5.165 1.00 0.00 N ATOM 334 CA VAL A 25 7.249 3.221 4.777 1.00 0.00 C ATOM 335 C VAL A 25 6.011 2.489 5.282 1.00 0.00 C ATOM 336 O VAL A 25 5.934 1.262 5.216 1.00 0.00 O ATOM 337 CB VAL A 25 7.153 3.375 3.248 1.00 0.00 C ATOM 338 CG1 VAL A 25 5.961 4.243 2.872 1.00 0.00 C ATOM 339 CG2 VAL A 25 8.443 3.956 2.689 1.00 0.00 C ATOM 0 H VAL A 25 8.745 1.773 4.530 1.00 0.00 H new ATOM 0 HA VAL A 25 7.293 4.210 5.232 1.00 0.00 H new ATOM 0 HB VAL A 25 7.006 2.388 2.810 1.00 0.00 H new ATOM 0 HG11 VAL A 25 5.910 4.340 1.788 1.00 0.00 H new ATOM 0 HG12 VAL A 25 5.044 3.781 3.239 1.00 0.00 H new ATOM 0 HG13 VAL A 25 6.074 5.230 3.320 1.00 0.00 H new ATOM 0 HG21 VAL A 25 8.357 4.058 1.607 1.00 0.00 H new ATOM 0 HG22 VAL A 25 8.623 4.935 3.133 1.00 0.00 H new ATOM 0 HG23 VAL A 25 9.274 3.292 2.926 1.00 0.00 H new ATOM 349 N GLU A 26 5.044 3.249 5.786 1.00 0.00 N ATOM 350 CA GLU A 26 3.810 2.671 6.303 1.00 0.00 C ATOM 351 C GLU A 26 2.593 3.427 5.776 1.00 0.00 C ATOM 352 O GLU A 26 2.340 4.568 6.165 1.00 0.00 O ATOM 353 CB GLU A 26 3.812 2.690 7.833 1.00 0.00 C ATOM 354 CG GLU A 26 4.482 1.476 8.455 1.00 0.00 C ATOM 355 CD GLU A 26 3.978 1.186 9.856 1.00 0.00 C ATOM 356 OE1 GLU A 26 4.535 1.759 10.816 1.00 0.00 O ATOM 357 OE2 GLU A 26 3.028 0.387 9.992 1.00 0.00 O ATOM 0 H GLU A 26 5.092 4.266 5.847 1.00 0.00 H new ATOM 0 HA GLU A 26 3.752 1.638 5.960 1.00 0.00 H new ATOM 0 HB2 GLU A 26 4.320 3.591 8.176 1.00 0.00 H new ATOM 0 HB3 GLU A 26 2.783 2.749 8.189 1.00 0.00 H new ATOM 0 HG2 GLU A 26 4.308 0.605 7.823 1.00 0.00 H new ATOM 0 HG3 GLU A 26 5.560 1.637 8.486 1.00 0.00 H new ATOM 364 N LEU A 27 1.843 2.783 4.889 1.00 0.00 N ATOM 365 CA LEU A 27 0.652 3.393 4.307 1.00 0.00 C ATOM 366 C LEU A 27 -0.610 2.896 5.004 1.00 0.00 C ATOM 367 O LEU A 27 -0.973 1.725 4.890 1.00 0.00 O ATOM 368 CB LEU A 27 0.577 3.087 2.811 1.00 0.00 C ATOM 369 CG LEU A 27 1.814 3.450 1.988 1.00 0.00 C ATOM 370 CD1 LEU A 27 1.665 2.963 0.556 1.00 0.00 C ATOM 371 CD2 LEU A 27 2.054 4.952 2.020 1.00 0.00 C ATOM 0 H LEU A 27 2.038 1.839 4.557 1.00 0.00 H new ATOM 0 HA LEU A 27 0.721 4.472 4.447 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.383 2.021 2.688 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.280 3.617 2.395 1.00 0.00 H new ATOM 0 HG LEU A 27 2.678 2.954 2.430 1.00 0.00 H new ATOM 0 HD11 LEU A 27 2.555 3.231 -0.014 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.543 1.880 0.551 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.790 3.429 0.102 1.00 0.00 H new ATOM 0 HD21 LEU A 27 2.938 5.192 1.429 1.00 0.00 H new ATOM 0 HD22 LEU A 27 1.189 5.468 1.604 1.00 0.00 H new ATOM 0 HD23 LEU A 27 2.208 5.274 3.050 1.00 0.00 H new ATOM 383 N GLU A 28 -1.277 3.794 5.723 1.00 0.00 N ATOM 384 CA GLU A 28 -2.500 3.445 6.436 1.00 0.00 C ATOM 385 C GLU A 28 -3.731 3.899 5.658 1.00 0.00 C ATOM 386 O GLU A 28 -3.677 4.867 4.899 1.00 0.00 O ATOM 387 CB GLU A 28 -2.502 4.077 7.830 1.00 0.00 C ATOM 388 CG GLU A 28 -3.532 3.475 8.770 1.00 0.00 C ATOM 389 CD GLU A 28 -4.022 4.464 9.810 1.00 0.00 C ATOM 390 OE1 GLU A 28 -3.271 4.733 10.771 1.00 0.00 O ATOM 391 OE2 GLU A 28 -5.154 4.969 9.663 1.00 0.00 O ATOM 0 H GLU A 28 -0.991 4.768 5.827 1.00 0.00 H new ATOM 0 HA GLU A 28 -2.535 2.360 6.537 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -1.511 3.966 8.271 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -2.691 5.146 7.735 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.381 3.114 8.189 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -3.098 2.610 9.272 1.00 0.00 H new ATOM 398 N CYS A 29 -4.840 3.193 5.853 1.00 0.00 N ATOM 399 CA CYS A 29 -6.085 3.521 5.169 1.00 0.00 C ATOM 400 C CYS A 29 -7.274 2.853 5.853 1.00 0.00 C ATOM 401 O CYS A 29 -7.102 2.017 6.739 1.00 0.00 O ATOM 402 CB CYS A 29 -6.016 3.089 3.704 1.00 0.00 C ATOM 403 SG CYS A 29 -5.950 1.299 3.464 1.00 0.00 S ATOM 0 H CYS A 29 -4.902 2.390 6.479 1.00 0.00 H new ATOM 0 HA CYS A 29 -6.222 4.601 5.216 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -6.886 3.483 3.179 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -5.136 3.539 3.245 1.00 0.00 H new ATOM 0 HG CYS A 29 -4.779 0.965 3.009 1.00 0.00 H new ATOM 409 N GLU A 30 -8.479 3.231 5.436 1.00 0.00 N ATOM 410 CA GLU A 30 -9.695 2.669 6.012 1.00 0.00 C ATOM 411 C GLU A 30 -10.719 2.360 4.923 1.00 0.00 C ATOM 412 O GLU A 30 -10.670 2.925 3.830 1.00 0.00 O ATOM 413 CB GLU A 30 -10.297 3.637 7.033 1.00 0.00 C ATOM 414 CG GLU A 30 -9.774 3.433 8.445 1.00 0.00 C ATOM 415 CD GLU A 30 -10.445 4.346 9.453 1.00 0.00 C ATOM 416 OE1 GLU A 30 -10.388 5.580 9.267 1.00 0.00 O ATOM 417 OE2 GLU A 30 -11.028 3.826 10.427 1.00 0.00 O ATOM 0 H GLU A 30 -8.639 3.922 4.703 1.00 0.00 H new ATOM 0 HA GLU A 30 -9.432 1.739 6.515 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -10.086 4.660 6.720 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -11.381 3.522 7.036 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -9.930 2.395 8.740 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -8.699 3.610 8.459 1.00 0.00 H new ATOM 424 N VAL A 31 -11.647 1.459 5.230 1.00 0.00 N ATOM 425 CA VAL A 31 -12.684 1.075 4.280 1.00 0.00 C ATOM 426 C VAL A 31 -14.070 1.187 4.903 1.00 0.00 C ATOM 427 O VAL A 31 -14.216 1.631 6.042 1.00 0.00 O ATOM 428 CB VAL A 31 -12.476 -0.366 3.774 1.00 0.00 C ATOM 429 CG1 VAL A 31 -11.274 -0.437 2.845 1.00 0.00 C ATOM 430 CG2 VAL A 31 -12.311 -1.322 4.946 1.00 0.00 C ATOM 0 H VAL A 31 -11.702 0.981 6.130 1.00 0.00 H new ATOM 0 HA VAL A 31 -12.611 1.763 3.438 1.00 0.00 H new ATOM 0 HB VAL A 31 -13.359 -0.666 3.210 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -11.143 -1.462 2.498 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -11.436 0.218 1.989 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -10.380 -0.118 3.381 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -12.165 -2.335 4.571 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -11.445 -1.026 5.538 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -13.205 -1.291 5.569 1.00 0.00 H new ATOM 440 N SER A 32 -15.087 0.783 4.148 1.00 0.00 N ATOM 441 CA SER A 32 -16.464 0.841 4.626 1.00 0.00 C ATOM 442 C SER A 32 -16.810 -0.402 5.440 1.00 0.00 C ATOM 443 O SER A 32 -17.602 -0.340 6.379 1.00 0.00 O ATOM 444 CB SER A 32 -17.429 0.978 3.446 1.00 0.00 C ATOM 445 OG SER A 32 -17.343 -0.144 2.584 1.00 0.00 O ATOM 0 H SER A 32 -14.984 0.412 3.203 1.00 0.00 H new ATOM 0 HA SER A 32 -16.563 1.714 5.271 1.00 0.00 H new ATOM 0 HB2 SER A 32 -18.449 1.079 3.816 1.00 0.00 H new ATOM 0 HB3 SER A 32 -17.201 1.887 2.889 1.00 0.00 H new ATOM 0 HG SER A 32 -18.156 -0.201 2.040 1.00 0.00 H new ATOM 451 N GLU A 33 -16.209 -1.529 5.071 1.00 0.00 N ATOM 452 CA GLU A 33 -16.455 -2.787 5.767 1.00 0.00 C ATOM 453 C GLU A 33 -15.372 -3.052 6.809 1.00 0.00 C ATOM 454 O GLU A 33 -14.449 -2.255 6.978 1.00 0.00 O ATOM 455 CB GLU A 33 -16.511 -3.945 4.768 1.00 0.00 C ATOM 456 CG GLU A 33 -17.743 -3.922 3.880 1.00 0.00 C ATOM 457 CD GLU A 33 -19.016 -4.244 4.639 1.00 0.00 C ATOM 458 OE1 GLU A 33 -19.362 -5.440 4.738 1.00 0.00 O ATOM 459 OE2 GLU A 33 -19.666 -3.300 5.134 1.00 0.00 O ATOM 0 H GLU A 33 -15.550 -1.597 4.296 1.00 0.00 H new ATOM 0 HA GLU A 33 -17.415 -2.710 6.277 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -15.620 -3.916 4.140 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -16.485 -4.887 5.315 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -17.837 -2.938 3.421 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -17.616 -4.640 3.070 1.00 0.00 H new ATOM 466 N ASP A 34 -15.493 -4.177 7.505 1.00 0.00 N ATOM 467 CA ASP A 34 -14.525 -4.549 8.531 1.00 0.00 C ATOM 468 C ASP A 34 -13.743 -5.791 8.115 1.00 0.00 C ATOM 469 O ASP A 34 -14.230 -6.613 7.339 1.00 0.00 O ATOM 470 CB ASP A 34 -15.234 -4.800 9.863 1.00 0.00 C ATOM 471 CG ASP A 34 -16.274 -5.899 9.768 1.00 0.00 C ATOM 472 OD1 ASP A 34 -17.347 -5.651 9.179 1.00 0.00 O ATOM 473 OD2 ASP A 34 -16.015 -7.007 10.282 1.00 0.00 O ATOM 0 H ASP A 34 -16.251 -4.847 7.378 1.00 0.00 H new ATOM 0 HA ASP A 34 -13.824 -3.723 8.651 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -14.496 -5.067 10.619 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -15.713 -3.879 10.196 1.00 0.00 H new ATOM 478 N ASP A 35 -12.527 -5.920 8.636 1.00 0.00 N ATOM 479 CA ASP A 35 -11.677 -7.061 8.319 1.00 0.00 C ATOM 480 C ASP A 35 -11.809 -7.445 6.848 1.00 0.00 C ATOM 481 O ASP A 35 -11.930 -8.623 6.513 1.00 0.00 O ATOM 482 CB ASP A 35 -12.037 -8.254 9.205 1.00 0.00 C ATOM 483 CG ASP A 35 -11.678 -8.024 10.660 1.00 0.00 C ATOM 484 OD1 ASP A 35 -12.507 -7.440 11.389 1.00 0.00 O ATOM 485 OD2 ASP A 35 -10.569 -8.426 11.069 1.00 0.00 O ATOM 0 H ASP A 35 -12.109 -5.248 9.279 1.00 0.00 H new ATOM 0 HA ASP A 35 -10.642 -6.776 8.510 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -13.106 -8.453 9.125 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -11.519 -9.142 8.842 1.00 0.00 H new ATOM 490 N ALA A 36 -11.787 -6.443 5.976 1.00 0.00 N ATOM 491 CA ALA A 36 -11.903 -6.676 4.541 1.00 0.00 C ATOM 492 C ALA A 36 -10.574 -7.133 3.950 1.00 0.00 C ATOM 493 O ALA A 36 -9.588 -7.297 4.667 1.00 0.00 O ATOM 494 CB ALA A 36 -12.391 -5.417 3.840 1.00 0.00 C ATOM 0 H ALA A 36 -11.690 -5.462 6.238 1.00 0.00 H new ATOM 0 HA ALA A 36 -12.632 -7.471 4.384 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -12.473 -5.605 2.769 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -13.367 -5.136 4.235 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -11.683 -4.607 4.013 1.00 0.00 H new ATOM 500 N ASN A 37 -10.555 -7.338 2.637 1.00 0.00 N ATOM 501 CA ASN A 37 -9.347 -7.777 1.949 1.00 0.00 C ATOM 502 C ASN A 37 -9.012 -6.846 0.788 1.00 0.00 C ATOM 503 O ASN A 37 -9.425 -7.079 -0.348 1.00 0.00 O ATOM 504 CB ASN A 37 -9.518 -9.209 1.436 1.00 0.00 C ATOM 505 CG ASN A 37 -8.385 -9.636 0.524 1.00 0.00 C ATOM 506 OD1 ASN A 37 -7.439 -10.391 1.071 1.00 0.00 O flip ATOM 507 ND2 ASN A 37 -8.360 -9.291 -0.657 1.00 0.00 N flip ATOM 0 H ASN A 37 -11.363 -7.207 2.028 1.00 0.00 H new ATOM 0 HA ASN A 37 -8.523 -7.749 2.662 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -9.575 -9.891 2.284 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -10.463 -9.289 0.899 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -9.109 -8.710 -1.035 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -7.591 -9.586 -1.258 1.00 0.00 H new ATOM 514 N VAL A 38 -8.260 -5.790 1.081 1.00 0.00 N ATOM 515 CA VAL A 38 -7.868 -4.823 0.062 1.00 0.00 C ATOM 516 C VAL A 38 -6.701 -5.344 -0.769 1.00 0.00 C ATOM 517 O VAL A 38 -5.903 -6.156 -0.299 1.00 0.00 O ATOM 518 CB VAL A 38 -7.475 -3.473 0.691 1.00 0.00 C ATOM 519 CG1 VAL A 38 -8.493 -3.056 1.741 1.00 0.00 C ATOM 520 CG2 VAL A 38 -6.079 -3.553 1.292 1.00 0.00 C ATOM 0 H VAL A 38 -7.910 -5.582 2.016 1.00 0.00 H new ATOM 0 HA VAL A 38 -8.733 -4.675 -0.584 1.00 0.00 H new ATOM 0 HB VAL A 38 -7.467 -2.715 -0.092 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -8.198 -2.100 2.174 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -9.474 -2.957 1.277 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -8.537 -3.812 2.525 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -5.817 -2.591 1.732 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -6.059 -4.323 2.063 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -5.361 -3.803 0.511 1.00 0.00 H new ATOM 530 N LYS A 39 -6.607 -4.872 -2.007 1.00 0.00 N ATOM 531 CA LYS A 39 -5.536 -5.287 -2.905 1.00 0.00 C ATOM 532 C LYS A 39 -4.561 -4.141 -3.157 1.00 0.00 C ATOM 533 O LYS A 39 -4.903 -3.157 -3.813 1.00 0.00 O ATOM 534 CB LYS A 39 -6.118 -5.777 -4.233 1.00 0.00 C ATOM 535 CG LYS A 39 -6.866 -7.094 -4.121 1.00 0.00 C ATOM 536 CD LYS A 39 -7.588 -7.437 -5.413 1.00 0.00 C ATOM 537 CE LYS A 39 -6.700 -8.239 -6.352 1.00 0.00 C ATOM 538 NZ LYS A 39 -7.290 -8.347 -7.715 1.00 0.00 N ATOM 0 H LYS A 39 -7.260 -4.201 -2.412 1.00 0.00 H new ATOM 0 HA LYS A 39 -4.993 -6.104 -2.429 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -6.794 -5.017 -4.626 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -5.309 -5.889 -4.955 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -6.166 -7.891 -3.872 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -7.586 -7.036 -3.305 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -8.489 -8.007 -5.187 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -7.907 -6.519 -5.907 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -5.720 -7.767 -6.417 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -6.546 -9.237 -5.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -6.923 -9.199 -8.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -8.325 -8.411 -7.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -7.034 -7.507 -8.272 1.00 0.00 H new ATOM 552 N TRP A 40 -3.349 -4.277 -2.634 1.00 0.00 N ATOM 553 CA TRP A 40 -2.324 -3.252 -2.803 1.00 0.00 C ATOM 554 C TRP A 40 -1.542 -3.473 -4.093 1.00 0.00 C ATOM 555 O TRP A 40 -1.058 -4.574 -4.356 1.00 0.00 O ATOM 556 CB TRP A 40 -1.371 -3.252 -1.608 1.00 0.00 C ATOM 557 CG TRP A 40 -2.052 -2.961 -0.305 1.00 0.00 C ATOM 558 CD1 TRP A 40 -2.724 -3.849 0.485 1.00 0.00 C ATOM 559 CD2 TRP A 40 -2.128 -1.694 0.358 1.00 0.00 C ATOM 560 NE1 TRP A 40 -3.213 -3.211 1.599 1.00 0.00 N ATOM 561 CE2 TRP A 40 -2.861 -1.888 1.545 1.00 0.00 C ATOM 562 CE3 TRP A 40 -1.648 -0.415 0.065 1.00 0.00 C ATOM 563 CZ2 TRP A 40 -3.124 -0.851 2.435 1.00 0.00 C ATOM 564 CZ3 TRP A 40 -1.910 0.614 0.949 1.00 0.00 C ATOM 565 CH2 TRP A 40 -2.641 0.391 2.123 1.00 0.00 C ATOM 0 H TRP A 40 -3.051 -5.086 -2.089 1.00 0.00 H new ATOM 0 HA TRP A 40 -2.820 -2.283 -2.862 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -0.880 -4.223 -1.544 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -0.590 -2.510 -1.775 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -2.852 -4.899 0.266 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -3.751 -3.651 2.346 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -1.082 -0.234 -0.837 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -3.689 -1.020 3.340 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -1.545 1.607 0.731 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -2.827 1.216 2.795 1.00 0.00 H new ATOM 576 N PHE A 41 -1.421 -2.420 -4.895 1.00 0.00 N ATOM 577 CA PHE A 41 -0.697 -2.500 -6.158 1.00 0.00 C ATOM 578 C PHE A 41 0.434 -1.477 -6.203 1.00 0.00 C ATOM 579 O PHE A 41 0.283 -0.347 -5.738 1.00 0.00 O ATOM 580 CB PHE A 41 -1.652 -2.274 -7.332 1.00 0.00 C ATOM 581 CG PHE A 41 -2.822 -3.215 -7.343 1.00 0.00 C ATOM 582 CD1 PHE A 41 -3.891 -3.023 -6.482 1.00 0.00 C ATOM 583 CD2 PHE A 41 -2.855 -4.291 -8.215 1.00 0.00 C ATOM 584 CE1 PHE A 41 -4.968 -3.888 -6.490 1.00 0.00 C ATOM 585 CE2 PHE A 41 -3.930 -5.159 -8.228 1.00 0.00 C ATOM 586 CZ PHE A 41 -4.989 -4.957 -7.364 1.00 0.00 C ATOM 0 H PHE A 41 -1.815 -1.501 -4.692 1.00 0.00 H new ATOM 0 HA PHE A 41 -0.264 -3.497 -6.237 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -2.021 -1.249 -7.298 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -1.100 -2.383 -8.265 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -3.882 -2.188 -5.797 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -2.030 -4.453 -8.893 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -5.794 -3.728 -5.813 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -3.942 -5.994 -8.913 1.00 0.00 H new ATOM 0 HZ PHE A 41 -5.831 -5.633 -7.372 1.00 0.00 H new ATOM 596 N LYS A 42 1.568 -1.881 -6.765 1.00 0.00 N ATOM 597 CA LYS A 42 2.726 -1.002 -6.873 1.00 0.00 C ATOM 598 C LYS A 42 2.950 -0.571 -8.319 1.00 0.00 C ATOM 599 O LYS A 42 3.629 -1.257 -9.082 1.00 0.00 O ATOM 600 CB LYS A 42 3.976 -1.703 -6.339 1.00 0.00 C ATOM 601 CG LYS A 42 5.273 -1.150 -6.904 1.00 0.00 C ATOM 602 CD LYS A 42 6.417 -1.289 -5.915 1.00 0.00 C ATOM 603 CE LYS A 42 7.691 -0.648 -6.442 1.00 0.00 C ATOM 604 NZ LYS A 42 8.499 -1.602 -7.251 1.00 0.00 N ATOM 0 H LYS A 42 1.710 -2.813 -7.153 1.00 0.00 H new ATOM 0 HA LYS A 42 2.532 -0.112 -6.274 1.00 0.00 H new ATOM 0 HB2 LYS A 42 3.996 -1.614 -5.253 1.00 0.00 H new ATOM 0 HB3 LYS A 42 3.913 -2.766 -6.571 1.00 0.00 H new ATOM 0 HG2 LYS A 42 5.522 -1.675 -7.826 1.00 0.00 H new ATOM 0 HG3 LYS A 42 5.140 -0.099 -7.162 1.00 0.00 H new ATOM 0 HD2 LYS A 42 6.140 -0.825 -4.969 1.00 0.00 H new ATOM 0 HD3 LYS A 42 6.597 -2.345 -5.711 1.00 0.00 H new ATOM 0 HE2 LYS A 42 7.436 0.219 -7.051 1.00 0.00 H new ATOM 0 HE3 LYS A 42 8.288 -0.285 -5.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 9.359 -1.127 -7.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 8.764 -2.418 -6.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 7.939 -1.929 -8.064 1.00 0.00 H new ATOM 618 N ASN A 43 2.375 0.569 -8.688 1.00 0.00 N ATOM 619 CA ASN A 43 2.513 1.091 -10.043 1.00 0.00 C ATOM 620 C ASN A 43 1.656 0.295 -11.022 1.00 0.00 C ATOM 621 O ASN A 43 1.954 0.230 -12.214 1.00 0.00 O ATOM 622 CB ASN A 43 3.978 1.050 -10.480 1.00 0.00 C ATOM 623 CG ASN A 43 4.311 2.131 -11.490 1.00 0.00 C ATOM 624 OD1 ASN A 43 5.386 2.867 -11.237 1.00 0.00 O flip ATOM 625 ND2 ASN A 43 3.608 2.302 -12.487 1.00 0.00 N flip ATOM 0 H ASN A 43 1.809 1.149 -8.068 1.00 0.00 H new ATOM 0 HA ASN A 43 2.169 2.125 -10.045 1.00 0.00 H new ATOM 0 HB2 ASN A 43 4.618 1.164 -9.605 1.00 0.00 H new ATOM 0 HB3 ASN A 43 4.198 0.073 -10.911 1.00 0.00 H new ATOM 0 HD21 ASN A 43 2.790 1.712 -12.642 1.00 0.00 H new ATOM 0 HD22 ASN A 43 3.844 3.033 -13.158 1.00 0.00 H new ATOM 632 N GLY A 44 0.587 -0.309 -10.510 1.00 0.00 N ATOM 633 CA GLY A 44 -0.297 -1.092 -11.353 1.00 0.00 C ATOM 634 C GLY A 44 -0.150 -2.582 -11.121 1.00 0.00 C ATOM 635 O GLY A 44 -1.097 -3.343 -11.317 1.00 0.00 O ATOM 0 H GLY A 44 0.318 -0.270 -9.527 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -1.329 -0.798 -11.163 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -0.089 -0.868 -12.399 1.00 0.00 H new ATOM 639 N GLU A 45 1.041 -3.000 -10.705 1.00 0.00 N ATOM 640 CA GLU A 45 1.308 -4.411 -10.449 1.00 0.00 C ATOM 641 C GLU A 45 0.733 -4.838 -9.102 1.00 0.00 C ATOM 642 O GLU A 45 0.724 -4.062 -8.146 1.00 0.00 O ATOM 643 CB GLU A 45 2.814 -4.681 -10.482 1.00 0.00 C ATOM 644 CG GLU A 45 3.493 -4.513 -9.133 1.00 0.00 C ATOM 645 CD GLU A 45 4.979 -4.807 -9.187 1.00 0.00 C ATOM 646 OE1 GLU A 45 5.348 -5.915 -9.630 1.00 0.00 O ATOM 647 OE2 GLU A 45 5.773 -3.930 -8.787 1.00 0.00 O ATOM 0 H GLU A 45 1.836 -2.383 -10.538 1.00 0.00 H new ATOM 0 HA GLU A 45 0.824 -4.994 -11.232 1.00 0.00 H new ATOM 0 HB2 GLU A 45 2.985 -5.696 -10.841 1.00 0.00 H new ATOM 0 HB3 GLU A 45 3.280 -4.006 -11.200 1.00 0.00 H new ATOM 0 HG2 GLU A 45 3.341 -3.494 -8.778 1.00 0.00 H new ATOM 0 HG3 GLU A 45 3.021 -5.176 -8.408 1.00 0.00 H new ATOM 654 N GLU A 46 0.254 -6.076 -9.035 1.00 0.00 N ATOM 655 CA GLU A 46 -0.324 -6.606 -7.805 1.00 0.00 C ATOM 656 C GLU A 46 0.765 -7.137 -6.877 1.00 0.00 C ATOM 657 O GLU A 46 1.536 -8.022 -7.251 1.00 0.00 O ATOM 658 CB GLU A 46 -1.325 -7.717 -8.124 1.00 0.00 C ATOM 659 CG GLU A 46 -1.846 -8.439 -6.892 1.00 0.00 C ATOM 660 CD GLU A 46 -3.117 -9.218 -7.166 1.00 0.00 C ATOM 661 OE1 GLU A 46 -3.369 -9.550 -8.343 1.00 0.00 O ATOM 662 OE2 GLU A 46 -3.861 -9.496 -6.202 1.00 0.00 O ATOM 0 H GLU A 46 0.255 -6.731 -9.817 1.00 0.00 H new ATOM 0 HA GLU A 46 -0.844 -5.793 -7.298 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -2.168 -7.290 -8.668 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -0.852 -8.442 -8.787 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -1.079 -9.120 -6.523 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -2.033 -7.712 -6.102 1.00 0.00 H new ATOM 669 N ILE A 47 0.821 -6.591 -5.667 1.00 0.00 N ATOM 670 CA ILE A 47 1.814 -7.010 -4.686 1.00 0.00 C ATOM 671 C ILE A 47 1.416 -8.328 -4.030 1.00 0.00 C ATOM 672 O ILE A 47 0.268 -8.510 -3.625 1.00 0.00 O ATOM 673 CB ILE A 47 2.009 -5.944 -3.592 1.00 0.00 C ATOM 674 CG1 ILE A 47 2.483 -4.627 -4.212 1.00 0.00 C ATOM 675 CG2 ILE A 47 3.003 -6.432 -2.548 1.00 0.00 C ATOM 676 CD1 ILE A 47 2.446 -3.460 -3.251 1.00 0.00 C ATOM 0 H ILE A 47 0.191 -5.858 -5.343 1.00 0.00 H new ATOM 0 HA ILE A 47 2.753 -7.143 -5.224 1.00 0.00 H new ATOM 0 HB ILE A 47 1.052 -5.769 -3.100 1.00 0.00 H new ATOM 0 HG12 ILE A 47 3.502 -4.753 -4.579 1.00 0.00 H new ATOM 0 HG13 ILE A 47 1.860 -4.396 -5.076 1.00 0.00 H new ATOM 0 HG21 ILE A 47 3.130 -5.668 -1.781 1.00 0.00 H new ATOM 0 HG22 ILE A 47 2.629 -7.347 -2.089 1.00 0.00 H new ATOM 0 HG23 ILE A 47 3.963 -6.631 -3.025 1.00 0.00 H new ATOM 0 HD11 ILE A 47 2.795 -2.560 -3.758 1.00 0.00 H new ATOM 0 HD12 ILE A 47 1.424 -3.307 -2.903 1.00 0.00 H new ATOM 0 HD13 ILE A 47 3.092 -3.670 -2.399 1.00 0.00 H new ATOM 688 N ILE A 48 2.373 -9.244 -3.928 1.00 0.00 N ATOM 689 CA ILE A 48 2.123 -10.544 -3.318 1.00 0.00 C ATOM 690 C ILE A 48 3.065 -10.791 -2.144 1.00 0.00 C ATOM 691 O ILE A 48 4.160 -11.332 -2.297 1.00 0.00 O ATOM 692 CB ILE A 48 2.285 -11.686 -4.339 1.00 0.00 C ATOM 693 CG1 ILE A 48 1.374 -11.453 -5.546 1.00 0.00 C ATOM 694 CG2 ILE A 48 1.979 -13.026 -3.689 1.00 0.00 C ATOM 695 CD1 ILE A 48 -0.077 -11.790 -5.282 1.00 0.00 C ATOM 0 H ILE A 48 3.328 -9.110 -4.260 1.00 0.00 H new ATOM 0 HA ILE A 48 1.094 -10.531 -2.959 1.00 0.00 H new ATOM 0 HB ILE A 48 3.319 -11.700 -4.685 1.00 0.00 H new ATOM 0 HG12 ILE A 48 1.447 -10.409 -5.850 1.00 0.00 H new ATOM 0 HG13 ILE A 48 1.732 -12.054 -6.382 1.00 0.00 H new ATOM 0 HG21 ILE A 48 2.098 -13.822 -4.424 1.00 0.00 H new ATOM 0 HG22 ILE A 48 2.665 -13.193 -2.859 1.00 0.00 H new ATOM 0 HG23 ILE A 48 0.954 -13.025 -3.318 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -0.664 -11.601 -6.181 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -0.162 -12.842 -5.008 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -0.452 -11.171 -4.467 1.00 0.00 H new ATOM 707 N PRO A 49 2.629 -10.387 -0.941 1.00 0.00 N ATOM 708 CA PRO A 49 3.416 -10.556 0.284 1.00 0.00 C ATOM 709 C PRO A 49 3.526 -12.017 0.705 1.00 0.00 C ATOM 710 O PRO A 49 3.144 -12.919 -0.039 1.00 0.00 O ATOM 711 CB PRO A 49 2.628 -9.757 1.325 1.00 0.00 C ATOM 712 CG PRO A 49 1.228 -9.748 0.815 1.00 0.00 C ATOM 713 CD PRO A 49 1.333 -9.736 -0.685 1.00 0.00 C ATOM 0 HA PRO A 49 4.445 -10.219 0.157 1.00 0.00 H new ATOM 0 HB2 PRO A 49 2.688 -10.222 2.309 1.00 0.00 H new ATOM 0 HB3 PRO A 49 3.019 -8.745 1.426 1.00 0.00 H new ATOM 0 HG2 PRO A 49 0.681 -10.625 1.161 1.00 0.00 H new ATOM 0 HG3 PRO A 49 0.687 -8.873 1.175 1.00 0.00 H new ATOM 0 HD2 PRO A 49 0.511 -10.280 -1.150 1.00 0.00 H new ATOM 0 HD3 PRO A 49 1.308 -8.721 -1.082 1.00 0.00 H new ATOM 721 N GLY A 50 4.051 -12.244 1.906 1.00 0.00 N ATOM 722 CA GLY A 50 4.201 -13.599 2.406 1.00 0.00 C ATOM 723 C GLY A 50 5.315 -13.719 3.427 1.00 0.00 C ATOM 724 O GLY A 50 5.838 -12.723 3.927 1.00 0.00 O ATOM 0 H GLY A 50 4.375 -11.514 2.541 1.00 0.00 H new ATOM 0 HA2 GLY A 50 3.263 -13.923 2.856 1.00 0.00 H new ATOM 0 HA3 GLY A 50 4.403 -14.271 1.572 1.00 0.00 H new ATOM 775 N ARG A 54 8.878 -8.760 0.582 1.00 0.00 N ATOM 776 CA ARG A 54 9.297 -7.453 1.074 1.00 0.00 C ATOM 777 C ARG A 54 8.115 -6.692 1.668 1.00 0.00 C ATOM 778 O ARG A 54 8.214 -6.121 2.754 1.00 0.00 O ATOM 779 CB ARG A 54 9.928 -6.638 -0.055 1.00 0.00 C ATOM 780 CG ARG A 54 11.335 -7.084 -0.416 1.00 0.00 C ATOM 781 CD ARG A 54 11.715 -6.646 -1.822 1.00 0.00 C ATOM 782 NE ARG A 54 13.160 -6.678 -2.033 1.00 0.00 N ATOM 783 CZ ARG A 54 13.742 -6.353 -3.183 1.00 0.00 C ATOM 784 NH1 ARG A 54 13.006 -5.974 -4.218 1.00 0.00 N ATOM 785 NH2 ARG A 54 15.063 -6.407 -3.297 1.00 0.00 N ATOM 0 HA ARG A 54 10.038 -7.608 1.858 1.00 0.00 H new ATOM 0 HB2 ARG A 54 9.295 -6.709 -0.940 1.00 0.00 H new ATOM 0 HB3 ARG A 54 9.952 -5.588 0.236 1.00 0.00 H new ATOM 0 HG2 ARG A 54 12.044 -6.669 0.300 1.00 0.00 H new ATOM 0 HG3 ARG A 54 11.404 -8.169 -0.341 1.00 0.00 H new ATOM 0 HD2 ARG A 54 11.228 -7.297 -2.548 1.00 0.00 H new ATOM 0 HD3 ARG A 54 11.345 -5.636 -2.000 1.00 0.00 H new ATOM 0 HE ARG A 54 13.755 -6.965 -1.256 1.00 0.00 H new ATOM 0 HH11 ARG A 54 11.990 -5.931 -4.133 1.00 0.00 H new ATOM 0 HH12 ARG A 54 13.455 -5.725 -5.099 1.00 0.00 H new ATOM 0 HH21 ARG A 54 15.632 -6.698 -2.502 1.00 0.00 H new ATOM 0 HH22 ARG A 54 15.509 -6.158 -4.180 1.00 0.00 H new ATOM 799 N TYR A 55 6.999 -6.687 0.947 1.00 0.00 N ATOM 800 CA TYR A 55 5.800 -5.993 1.400 1.00 0.00 C ATOM 801 C TYR A 55 4.999 -6.862 2.365 1.00 0.00 C ATOM 802 O TYR A 55 4.984 -8.088 2.247 1.00 0.00 O ATOM 803 CB TYR A 55 4.928 -5.603 0.205 1.00 0.00 C ATOM 804 CG TYR A 55 5.677 -4.845 -0.868 1.00 0.00 C ATOM 805 CD1 TYR A 55 6.368 -5.517 -1.868 1.00 0.00 C ATOM 806 CD2 TYR A 55 5.692 -3.455 -0.882 1.00 0.00 C ATOM 807 CE1 TYR A 55 7.053 -4.828 -2.850 1.00 0.00 C ATOM 808 CE2 TYR A 55 6.373 -2.758 -1.860 1.00 0.00 C ATOM 809 CZ TYR A 55 7.053 -3.449 -2.842 1.00 0.00 C ATOM 810 OH TYR A 55 7.734 -2.759 -3.819 1.00 0.00 O ATOM 0 H TYR A 55 6.900 -7.156 0.047 1.00 0.00 H new ATOM 0 HA TYR A 55 6.111 -5.090 1.925 1.00 0.00 H new ATOM 0 HB2 TYR A 55 4.499 -6.505 -0.231 1.00 0.00 H new ATOM 0 HB3 TYR A 55 4.096 -4.992 0.556 1.00 0.00 H new ATOM 0 HD1 TYR A 55 6.370 -6.597 -1.878 1.00 0.00 H new ATOM 0 HD2 TYR A 55 5.162 -2.911 -0.114 1.00 0.00 H new ATOM 0 HE1 TYR A 55 7.586 -5.366 -3.620 1.00 0.00 H new ATOM 0 HE2 TYR A 55 6.374 -1.678 -1.857 1.00 0.00 H new ATOM 0 HH TYR A 55 8.158 -3.394 -4.433 1.00 0.00 H new ATOM 820 N ARG A 56 4.335 -6.219 3.319 1.00 0.00 N ATOM 821 CA ARG A 56 3.532 -6.932 4.306 1.00 0.00 C ATOM 822 C ARG A 56 2.201 -6.223 4.538 1.00 0.00 C ATOM 823 O ARG A 56 2.155 -5.150 5.141 1.00 0.00 O ATOM 824 CB ARG A 56 4.296 -7.051 5.626 1.00 0.00 C ATOM 825 CG ARG A 56 5.729 -7.531 5.459 1.00 0.00 C ATOM 826 CD ARG A 56 6.599 -7.102 6.630 1.00 0.00 C ATOM 827 NE ARG A 56 7.682 -8.049 6.883 1.00 0.00 N ATOM 828 CZ ARG A 56 8.457 -8.010 7.961 1.00 0.00 C ATOM 829 NH1 ARG A 56 8.268 -7.075 8.883 1.00 0.00 N ATOM 830 NH2 ARG A 56 9.421 -8.907 8.120 1.00 0.00 N ATOM 0 H ARG A 56 4.337 -5.205 3.430 1.00 0.00 H new ATOM 0 HA ARG A 56 3.329 -7.931 3.920 1.00 0.00 H new ATOM 0 HB2 ARG A 56 4.302 -6.080 6.121 1.00 0.00 H new ATOM 0 HB3 ARG A 56 3.765 -7.740 6.283 1.00 0.00 H new ATOM 0 HG2 ARG A 56 5.742 -8.618 5.373 1.00 0.00 H new ATOM 0 HG3 ARG A 56 6.142 -7.133 4.532 1.00 0.00 H new ATOM 0 HD2 ARG A 56 7.019 -6.117 6.428 1.00 0.00 H new ATOM 0 HD3 ARG A 56 5.983 -7.009 7.524 1.00 0.00 H new ATOM 0 HE ARG A 56 7.853 -8.781 6.193 1.00 0.00 H new ATOM 0 HH11 ARG A 56 7.527 -6.385 8.765 1.00 0.00 H new ATOM 0 HH12 ARG A 56 8.864 -7.047 9.710 1.00 0.00 H new ATOM 0 HH21 ARG A 56 9.568 -9.628 7.414 1.00 0.00 H new ATOM 0 HH22 ARG A 56 10.015 -8.876 8.948 1.00 0.00 H new ATOM 844 N ILE A 57 1.122 -6.830 4.057 1.00 0.00 N ATOM 845 CA ILE A 57 -0.209 -6.257 4.213 1.00 0.00 C ATOM 846 C ILE A 57 -0.863 -6.729 5.507 1.00 0.00 C ATOM 847 O ILE A 57 -1.179 -7.909 5.661 1.00 0.00 O ATOM 848 CB ILE A 57 -1.122 -6.623 3.028 1.00 0.00 C ATOM 849 CG1 ILE A 57 -0.514 -6.125 1.715 1.00 0.00 C ATOM 850 CG2 ILE A 57 -2.512 -6.039 3.229 1.00 0.00 C ATOM 851 CD1 ILE A 57 -0.889 -6.969 0.517 1.00 0.00 C ATOM 0 H ILE A 57 1.143 -7.718 3.556 1.00 0.00 H new ATOM 0 HA ILE A 57 -0.084 -5.175 4.245 1.00 0.00 H new ATOM 0 HB ILE A 57 -1.209 -7.708 2.978 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -0.836 -5.098 1.541 1.00 0.00 H new ATOM 0 HG13 ILE A 57 0.572 -6.106 1.811 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -3.145 -6.307 2.383 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -2.945 -6.438 4.146 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -2.444 -4.954 3.302 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -0.423 -6.557 -0.378 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -0.543 -7.991 0.669 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -1.972 -6.967 0.396 1.00 0.00 H new ATOM 863 N ARG A 58 -1.063 -5.799 6.436 1.00 0.00 N ATOM 864 CA ARG A 58 -1.679 -6.120 7.717 1.00 0.00 C ATOM 865 C ARG A 58 -3.121 -5.622 7.767 1.00 0.00 C ATOM 866 O ARG A 58 -3.489 -4.682 7.062 1.00 0.00 O ATOM 867 CB ARG A 58 -0.875 -5.502 8.863 1.00 0.00 C ATOM 868 CG ARG A 58 -1.547 -5.635 10.220 1.00 0.00 C ATOM 869 CD ARG A 58 -0.718 -4.986 11.318 1.00 0.00 C ATOM 870 NE ARG A 58 0.558 -5.668 11.515 1.00 0.00 N ATOM 871 CZ ARG A 58 1.367 -5.431 12.542 1.00 0.00 C ATOM 872 NH1 ARG A 58 1.032 -4.534 13.460 1.00 0.00 N ATOM 873 NH2 ARG A 58 2.512 -6.091 12.653 1.00 0.00 N ATOM 0 H ARG A 58 -0.807 -4.818 6.325 1.00 0.00 H new ATOM 0 HA ARG A 58 -1.683 -7.204 7.828 1.00 0.00 H new ATOM 0 HB2 ARG A 58 0.106 -5.976 8.905 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -0.709 -4.446 8.651 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -2.533 -5.172 10.186 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -1.697 -6.690 10.451 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -0.536 -3.941 11.065 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -1.282 -4.995 12.251 1.00 0.00 H new ATOM 0 HE ARG A 58 0.844 -6.364 10.827 1.00 0.00 H new ATOM 0 HH11 ARG A 58 0.152 -4.025 13.378 1.00 0.00 H new ATOM 0 HH12 ARG A 58 1.654 -4.354 14.248 1.00 0.00 H new ATOM 0 HH21 ARG A 58 2.773 -6.782 11.949 1.00 0.00 H new ATOM 0 HH22 ARG A 58 3.132 -5.908 13.442 1.00 0.00 H new ATOM 887 N VAL A 59 -3.933 -6.259 8.605 1.00 0.00 N ATOM 888 CA VAL A 59 -5.334 -5.881 8.747 1.00 0.00 C ATOM 889 C VAL A 59 -5.682 -5.602 10.205 1.00 0.00 C ATOM 890 O VAL A 59 -5.658 -6.504 11.042 1.00 0.00 O ATOM 891 CB VAL A 59 -6.269 -6.979 8.208 1.00 0.00 C ATOM 892 CG1 VAL A 59 -7.724 -6.611 8.456 1.00 0.00 C ATOM 893 CG2 VAL A 59 -6.015 -7.215 6.726 1.00 0.00 C ATOM 0 H VAL A 59 -3.645 -7.039 9.196 1.00 0.00 H new ATOM 0 HA VAL A 59 -5.478 -4.973 8.162 1.00 0.00 H new ATOM 0 HB VAL A 59 -6.058 -7.906 8.742 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -8.370 -7.399 8.068 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -7.893 -6.497 9.527 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -7.953 -5.673 7.951 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -6.685 -7.994 6.362 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -6.197 -6.293 6.174 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -4.981 -7.527 6.579 1.00 0.00 H new ATOM 903 N GLU A 60 -6.007 -4.348 10.501 1.00 0.00 N ATOM 904 CA GLU A 60 -6.360 -3.951 11.859 1.00 0.00 C ATOM 905 C GLU A 60 -7.746 -3.312 11.896 1.00 0.00 C ATOM 906 O GLU A 60 -7.916 -2.151 11.526 1.00 0.00 O ATOM 907 CB GLU A 60 -5.322 -2.974 12.415 1.00 0.00 C ATOM 908 CG GLU A 60 -4.068 -3.653 12.940 1.00 0.00 C ATOM 909 CD GLU A 60 -3.287 -2.775 13.898 1.00 0.00 C ATOM 910 OE1 GLU A 60 -3.613 -2.775 15.103 1.00 0.00 O ATOM 911 OE2 GLU A 60 -2.348 -2.089 13.442 1.00 0.00 O ATOM 0 H GLU A 60 -6.033 -3.590 9.819 1.00 0.00 H new ATOM 0 HA GLU A 60 -6.374 -4.847 12.480 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -5.043 -2.269 11.632 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -5.775 -2.394 13.219 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -4.345 -4.579 13.445 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -3.429 -3.927 12.101 1.00 0.00 H new ATOM 918 N GLY A 61 -8.734 -4.081 12.344 1.00 0.00 N ATOM 919 CA GLY A 61 -10.091 -3.575 12.421 1.00 0.00 C ATOM 920 C GLY A 61 -10.648 -3.201 11.062 1.00 0.00 C ATOM 921 O GLY A 61 -10.860 -4.064 10.210 1.00 0.00 O ATOM 0 H GLY A 61 -8.618 -5.046 12.655 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -10.731 -4.330 12.878 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -10.113 -2.701 13.072 1.00 0.00 H new ATOM 925 N LYS A 62 -10.888 -1.910 10.857 1.00 0.00 N ATOM 926 CA LYS A 62 -11.425 -1.423 9.592 1.00 0.00 C ATOM 927 C LYS A 62 -10.396 -0.569 8.857 1.00 0.00 C ATOM 928 O LYS A 62 -10.741 0.209 7.967 1.00 0.00 O ATOM 929 CB LYS A 62 -12.698 -0.609 9.834 1.00 0.00 C ATOM 930 CG LYS A 62 -13.778 -1.377 10.576 1.00 0.00 C ATOM 931 CD LYS A 62 -14.933 -0.473 10.972 1.00 0.00 C ATOM 932 CE LYS A 62 -15.993 -0.412 9.882 1.00 0.00 C ATOM 933 NZ LYS A 62 -17.326 -0.031 10.425 1.00 0.00 N ATOM 0 H LYS A 62 -10.719 -1.182 11.551 1.00 0.00 H new ATOM 0 HA LYS A 62 -11.665 -2.287 8.972 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -12.445 0.286 10.402 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -13.094 -0.276 8.875 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -14.148 -2.187 9.947 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -13.352 -1.836 11.468 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -15.381 -0.837 11.897 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -14.558 0.531 11.173 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -15.691 0.309 9.122 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -16.065 -1.382 9.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -18.020 -0.001 9.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -17.626 -0.732 11.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -17.264 0.906 10.871 1.00 0.00 H new ATOM 947 N LYS A 63 -9.131 -0.720 9.234 1.00 0.00 N ATOM 948 CA LYS A 63 -8.050 0.034 8.610 1.00 0.00 C ATOM 949 C LYS A 63 -6.888 -0.883 8.243 1.00 0.00 C ATOM 950 O LYS A 63 -6.512 -1.765 9.015 1.00 0.00 O ATOM 951 CB LYS A 63 -7.564 1.140 9.549 1.00 0.00 C ATOM 952 CG LYS A 63 -6.466 0.693 10.498 1.00 0.00 C ATOM 953 CD LYS A 63 -6.515 1.460 11.809 1.00 0.00 C ATOM 954 CE LYS A 63 -5.692 2.737 11.738 1.00 0.00 C ATOM 955 NZ LYS A 63 -4.276 2.508 12.140 1.00 0.00 N ATOM 0 H LYS A 63 -8.829 -1.359 9.970 1.00 0.00 H new ATOM 0 HA LYS A 63 -8.436 0.485 7.696 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -7.199 1.977 8.953 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -8.409 1.508 10.132 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -6.567 -0.374 10.696 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -5.494 0.839 10.026 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -7.549 1.705 12.050 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -6.141 0.829 12.615 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -5.722 3.132 10.723 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -6.136 3.492 12.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -3.741 3.395 12.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -4.243 2.187 13.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -3.854 1.782 11.527 1.00 0.00 H new ATOM 969 N HIS A 64 -6.322 -0.668 7.059 1.00 0.00 N ATOM 970 CA HIS A 64 -5.200 -1.475 6.591 1.00 0.00 C ATOM 971 C HIS A 64 -3.896 -0.688 6.668 1.00 0.00 C ATOM 972 O HIS A 64 -3.900 0.544 6.641 1.00 0.00 O ATOM 973 CB HIS A 64 -5.444 -1.940 5.155 1.00 0.00 C ATOM 974 CG HIS A 64 -6.503 -2.993 5.039 1.00 0.00 C ATOM 975 ND1 HIS A 64 -6.259 -4.253 4.535 1.00 0.00 N ATOM 976 CD2 HIS A 64 -7.816 -2.968 5.366 1.00 0.00 C ATOM 977 CE1 HIS A 64 -7.377 -4.957 4.556 1.00 0.00 C ATOM 978 NE2 HIS A 64 -8.337 -4.201 5.056 1.00 0.00 N ATOM 0 H HIS A 64 -6.621 0.057 6.407 1.00 0.00 H new ATOM 0 HA HIS A 64 -5.116 -2.348 7.239 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -5.729 -1.081 4.547 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -4.512 -2.327 4.744 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -8.354 -2.134 5.792 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -7.487 -5.978 4.221 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -9.307 -4.486 5.190 1.00 0.00 H new ATOM 987 N ILE A 65 -2.782 -1.406 6.765 1.00 0.00 N ATOM 988 CA ILE A 65 -1.471 -0.774 6.846 1.00 0.00 C ATOM 989 C ILE A 65 -0.447 -1.521 5.997 1.00 0.00 C ATOM 990 O ILE A 65 -0.052 -2.641 6.325 1.00 0.00 O ATOM 991 CB ILE A 65 -0.966 -0.708 8.300 1.00 0.00 C ATOM 992 CG1 ILE A 65 -1.880 0.185 9.140 1.00 0.00 C ATOM 993 CG2 ILE A 65 0.466 -0.198 8.340 1.00 0.00 C ATOM 994 CD1 ILE A 65 -3.026 -0.561 9.788 1.00 0.00 C ATOM 0 H ILE A 65 -2.761 -2.425 6.789 1.00 0.00 H new ATOM 0 HA ILE A 65 -1.586 0.240 6.464 1.00 0.00 H new ATOM 0 HB ILE A 65 -0.985 -1.713 8.722 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -1.288 0.669 9.916 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -2.283 0.975 8.507 1.00 0.00 H new ATOM 0 HG21 ILE A 65 0.809 -0.157 9.374 1.00 0.00 H new ATOM 0 HG22 ILE A 65 1.108 -0.871 7.771 1.00 0.00 H new ATOM 0 HG23 ILE A 65 0.509 0.800 7.903 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -3.632 0.135 10.368 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -3.642 -1.023 9.016 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -2.631 -1.334 10.447 1.00 0.00 H new ATOM 1006 N LEU A 66 -0.021 -0.894 4.907 1.00 0.00 N ATOM 1007 CA LEU A 66 0.959 -1.498 4.011 1.00 0.00 C ATOM 1008 C LEU A 66 2.370 -1.025 4.348 1.00 0.00 C ATOM 1009 O LEU A 66 2.753 0.098 4.022 1.00 0.00 O ATOM 1010 CB LEU A 66 0.629 -1.157 2.557 1.00 0.00 C ATOM 1011 CG LEU A 66 1.600 -1.693 1.504 1.00 0.00 C ATOM 1012 CD1 LEU A 66 1.382 -3.182 1.287 1.00 0.00 C ATOM 1013 CD2 LEU A 66 1.441 -0.932 0.196 1.00 0.00 C ATOM 0 H LEU A 66 -0.338 0.032 4.622 1.00 0.00 H new ATOM 0 HA LEU A 66 0.917 -2.579 4.143 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -0.367 -1.540 2.332 1.00 0.00 H new ATOM 0 HB3 LEU A 66 0.583 -0.072 2.461 1.00 0.00 H new ATOM 0 HG LEU A 66 2.617 -1.545 1.866 1.00 0.00 H new ATOM 0 HD11 LEU A 66 2.081 -3.546 0.535 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.547 -3.714 2.224 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.361 -3.354 0.947 1.00 0.00 H new ATOM 0 HD21 LEU A 66 2.140 -1.327 -0.542 1.00 0.00 H new ATOM 0 HD22 LEU A 66 0.421 -1.049 -0.171 1.00 0.00 H new ATOM 0 HD23 LEU A 66 1.648 0.125 0.363 1.00 0.00 H new ATOM 1025 N ILE A 67 3.138 -1.891 5.001 1.00 0.00 N ATOM 1026 CA ILE A 67 4.507 -1.563 5.379 1.00 0.00 C ATOM 1027 C ILE A 67 5.495 -2.002 4.304 1.00 0.00 C ATOM 1028 O ILE A 67 5.262 -2.982 3.596 1.00 0.00 O ATOM 1029 CB ILE A 67 4.895 -2.221 6.716 1.00 0.00 C ATOM 1030 CG1 ILE A 67 6.273 -1.733 7.169 1.00 0.00 C ATOM 1031 CG2 ILE A 67 4.881 -3.737 6.584 1.00 0.00 C ATOM 1032 CD1 ILE A 67 7.419 -2.415 6.456 1.00 0.00 C ATOM 0 H ILE A 67 2.835 -2.825 5.279 1.00 0.00 H new ATOM 0 HA ILE A 67 4.552 -0.480 5.490 1.00 0.00 H new ATOM 0 HB ILE A 67 4.163 -1.935 7.471 1.00 0.00 H new ATOM 0 HG12 ILE A 67 6.341 -0.658 7.004 1.00 0.00 H new ATOM 0 HG13 ILE A 67 6.373 -1.898 8.242 1.00 0.00 H new ATOM 0 HG21 ILE A 67 5.157 -4.188 7.537 1.00 0.00 H new ATOM 0 HG22 ILE A 67 3.882 -4.068 6.302 1.00 0.00 H new ATOM 0 HG23 ILE A 67 5.594 -4.042 5.818 1.00 0.00 H new ATOM 0 HD11 ILE A 67 8.365 -2.020 6.827 1.00 0.00 H new ATOM 0 HD12 ILE A 67 7.376 -3.488 6.642 1.00 0.00 H new ATOM 0 HD13 ILE A 67 7.343 -2.229 5.385 1.00 0.00 H new ATOM 1044 N ILE A 68 6.598 -1.271 4.187 1.00 0.00 N ATOM 1045 CA ILE A 68 7.622 -1.587 3.200 1.00 0.00 C ATOM 1046 C ILE A 68 9.011 -1.591 3.831 1.00 0.00 C ATOM 1047 O ILE A 68 9.606 -0.537 4.053 1.00 0.00 O ATOM 1048 CB ILE A 68 7.606 -0.584 2.031 1.00 0.00 C ATOM 1049 CG1 ILE A 68 6.181 -0.410 1.501 1.00 0.00 C ATOM 1050 CG2 ILE A 68 8.536 -1.050 0.921 1.00 0.00 C ATOM 1051 CD1 ILE A 68 6.045 0.708 0.490 1.00 0.00 C ATOM 0 H ILE A 68 6.805 -0.456 4.764 1.00 0.00 H new ATOM 0 HA ILE A 68 7.395 -2.582 2.818 1.00 0.00 H new ATOM 0 HB ILE A 68 7.960 0.381 2.394 1.00 0.00 H new ATOM 0 HG12 ILE A 68 5.855 -1.344 1.044 1.00 0.00 H new ATOM 0 HG13 ILE A 68 5.512 -0.215 2.339 1.00 0.00 H new ATOM 0 HG21 ILE A 68 8.514 -0.331 0.102 1.00 0.00 H new ATOM 0 HG22 ILE A 68 9.552 -1.129 1.307 1.00 0.00 H new ATOM 0 HG23 ILE A 68 8.209 -2.024 0.557 1.00 0.00 H new ATOM 0 HD11 ILE A 68 5.009 0.774 0.158 1.00 0.00 H new ATOM 0 HD12 ILE A 68 6.339 1.652 0.949 1.00 0.00 H new ATOM 0 HD13 ILE A 68 6.689 0.505 -0.366 1.00 0.00 H new ATOM 1063 N GLU A 69 9.521 -2.785 4.116 1.00 0.00 N ATOM 1064 CA GLU A 69 10.841 -2.927 4.720 1.00 0.00 C ATOM 1065 C GLU A 69 11.935 -2.500 3.745 1.00 0.00 C ATOM 1066 O GLU A 69 12.274 -3.233 2.817 1.00 0.00 O ATOM 1067 CB GLU A 69 11.072 -4.374 5.161 1.00 0.00 C ATOM 1068 CG GLU A 69 10.483 -4.695 6.525 1.00 0.00 C ATOM 1069 CD GLU A 69 10.447 -6.185 6.808 1.00 0.00 C ATOM 1070 OE1 GLU A 69 10.235 -6.965 5.856 1.00 0.00 O ATOM 1071 OE2 GLU A 69 10.631 -6.569 7.982 1.00 0.00 O ATOM 0 H GLU A 69 9.041 -3.667 3.939 1.00 0.00 H new ATOM 0 HA GLU A 69 10.884 -2.277 5.594 1.00 0.00 H new ATOM 0 HB2 GLU A 69 10.638 -5.045 4.420 1.00 0.00 H new ATOM 0 HB3 GLU A 69 12.144 -4.572 5.181 1.00 0.00 H new ATOM 0 HG2 GLU A 69 11.070 -4.196 7.297 1.00 0.00 H new ATOM 0 HG3 GLU A 69 9.472 -4.293 6.584 1.00 0.00 H new ATOM 1078 N GLY A 70 12.482 -1.308 3.963 1.00 0.00 N ATOM 1079 CA GLY A 70 13.531 -0.804 3.096 1.00 0.00 C ATOM 1080 C GLY A 70 12.982 -0.095 1.874 1.00 0.00 C ATOM 1081 O GLY A 70 12.739 -0.720 0.842 1.00 0.00 O ATOM 0 H GLY A 70 12.218 -0.683 4.724 1.00 0.00 H new ATOM 0 HA2 GLY A 70 14.163 -0.116 3.658 1.00 0.00 H new ATOM 0 HA3 GLY A 70 14.164 -1.632 2.778 1.00 0.00 H new ATOM 1085 N ALA A 71 12.783 1.214 1.991 1.00 0.00 N ATOM 1086 CA ALA A 71 12.259 2.008 0.887 1.00 0.00 C ATOM 1087 C ALA A 71 13.389 2.589 0.043 1.00 0.00 C ATOM 1088 O ALA A 71 13.895 3.675 0.327 1.00 0.00 O ATOM 1089 CB ALA A 71 11.366 3.121 1.414 1.00 0.00 C ATOM 0 H ALA A 71 12.977 1.747 2.839 1.00 0.00 H new ATOM 0 HA ALA A 71 11.666 1.352 0.250 1.00 0.00 H new ATOM 0 HB1 ALA A 71 10.982 3.706 0.578 1.00 0.00 H new ATOM 0 HB2 ALA A 71 10.533 2.688 1.967 1.00 0.00 H new ATOM 0 HB3 ALA A 71 11.943 3.768 2.075 1.00 0.00 H new ATOM 1095 N THR A 72 13.782 1.859 -0.996 1.00 0.00 N ATOM 1096 CA THR A 72 14.854 2.300 -1.879 1.00 0.00 C ATOM 1097 C THR A 72 14.315 3.188 -2.995 1.00 0.00 C ATOM 1098 O THR A 72 13.106 3.378 -3.123 1.00 0.00 O ATOM 1099 CB THR A 72 15.596 1.104 -2.503 1.00 0.00 C ATOM 1100 OG1 THR A 72 14.654 0.164 -3.032 1.00 0.00 O ATOM 1101 CG2 THR A 72 16.480 0.418 -1.473 1.00 0.00 C ATOM 0 H THR A 72 13.373 0.959 -1.247 1.00 0.00 H new ATOM 0 HA THR A 72 15.552 2.872 -1.268 1.00 0.00 H new ATOM 0 HB THR A 72 16.227 1.478 -3.309 1.00 0.00 H new ATOM 0 HG1 THR A 72 15.134 -0.593 -3.428 1.00 0.00 H new ATOM 0 HG21 THR A 72 16.994 -0.424 -1.937 1.00 0.00 H new ATOM 0 HG22 THR A 72 17.215 1.128 -1.094 1.00 0.00 H new ATOM 0 HG23 THR A 72 15.865 0.058 -0.648 1.00 0.00 H new ATOM 1109 N LYS A 73 15.221 3.731 -3.802 1.00 0.00 N ATOM 1110 CA LYS A 73 14.838 4.598 -4.910 1.00 0.00 C ATOM 1111 C LYS A 73 13.812 3.913 -5.807 1.00 0.00 C ATOM 1112 O LYS A 73 12.878 4.548 -6.295 1.00 0.00 O ATOM 1113 CB LYS A 73 16.070 4.987 -5.730 1.00 0.00 C ATOM 1114 CG LYS A 73 16.751 6.254 -5.241 1.00 0.00 C ATOM 1115 CD LYS A 73 16.149 7.493 -5.881 1.00 0.00 C ATOM 1116 CE LYS A 73 16.861 8.758 -5.425 1.00 0.00 C ATOM 1117 NZ LYS A 73 16.291 9.288 -4.156 1.00 0.00 N ATOM 0 H LYS A 73 16.226 3.586 -3.709 1.00 0.00 H new ATOM 0 HA LYS A 73 14.387 5.499 -4.494 1.00 0.00 H new ATOM 0 HB2 LYS A 73 16.787 4.166 -5.705 1.00 0.00 H new ATOM 0 HB3 LYS A 73 15.776 5.121 -6.771 1.00 0.00 H new ATOM 0 HG2 LYS A 73 16.659 6.322 -4.157 1.00 0.00 H new ATOM 0 HG3 LYS A 73 17.816 6.207 -5.468 1.00 0.00 H new ATOM 0 HD2 LYS A 73 16.211 7.410 -6.966 1.00 0.00 H new ATOM 0 HD3 LYS A 73 15.091 7.558 -5.627 1.00 0.00 H new ATOM 0 HE2 LYS A 73 17.922 8.548 -5.287 1.00 0.00 H new ATOM 0 HE3 LYS A 73 16.785 9.518 -6.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 16.243 10.326 -4.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 15.335 8.903 -4.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 16.896 9.006 -3.359 1.00 0.00 H new ATOM 1131 N ALA A 74 13.993 2.613 -6.020 1.00 0.00 N ATOM 1132 CA ALA A 74 13.081 1.842 -6.856 1.00 0.00 C ATOM 1133 C ALA A 74 11.704 1.735 -6.212 1.00 0.00 C ATOM 1134 O ALA A 74 10.683 1.756 -6.900 1.00 0.00 O ATOM 1135 CB ALA A 74 13.652 0.457 -7.120 1.00 0.00 C ATOM 0 H ALA A 74 14.763 2.072 -5.625 1.00 0.00 H new ATOM 0 HA ALA A 74 12.968 2.364 -7.806 1.00 0.00 H new ATOM 0 HB1 ALA A 74 12.961 -0.108 -7.745 1.00 0.00 H new ATOM 0 HB2 ALA A 74 14.611 0.550 -7.631 1.00 0.00 H new ATOM 0 HB3 ALA A 74 13.794 -0.064 -6.173 1.00 0.00 H new ATOM 1141 N ASP A 75 11.682 1.619 -4.889 1.00 0.00 N ATOM 1142 CA ASP A 75 10.429 1.508 -4.151 1.00 0.00 C ATOM 1143 C ASP A 75 9.535 2.716 -4.414 1.00 0.00 C ATOM 1144 O ASP A 75 8.310 2.619 -4.354 1.00 0.00 O ATOM 1145 CB ASP A 75 10.704 1.378 -2.652 1.00 0.00 C ATOM 1146 CG ASP A 75 11.162 -0.015 -2.266 1.00 0.00 C ATOM 1147 OD1 ASP A 75 11.794 -0.686 -3.108 1.00 0.00 O ATOM 1148 OD2 ASP A 75 10.888 -0.433 -1.122 1.00 0.00 O ATOM 0 H ASP A 75 12.518 1.599 -4.305 1.00 0.00 H new ATOM 0 HA ASP A 75 9.911 0.613 -4.496 1.00 0.00 H new ATOM 0 HB2 ASP A 75 11.466 2.101 -2.361 1.00 0.00 H new ATOM 0 HB3 ASP A 75 9.800 1.627 -2.097 1.00 0.00 H new ATOM 1153 N ALA A 76 10.158 3.854 -4.704 1.00 0.00 N ATOM 1154 CA ALA A 76 9.419 5.081 -4.976 1.00 0.00 C ATOM 1155 C ALA A 76 8.495 4.910 -6.177 1.00 0.00 C ATOM 1156 O ALA A 76 8.900 5.125 -7.319 1.00 0.00 O ATOM 1157 CB ALA A 76 10.382 6.236 -5.208 1.00 0.00 C ATOM 0 H ALA A 76 11.172 3.952 -4.757 1.00 0.00 H new ATOM 0 HA ALA A 76 8.802 5.306 -4.106 1.00 0.00 H new ATOM 0 HB1 ALA A 76 9.817 7.146 -5.410 1.00 0.00 H new ATOM 0 HB2 ALA A 76 10.997 6.381 -4.320 1.00 0.00 H new ATOM 0 HB3 ALA A 76 11.023 6.010 -6.060 1.00 0.00 H new ATOM 1163 N ALA A 77 7.252 4.522 -5.911 1.00 0.00 N ATOM 1164 CA ALA A 77 6.271 4.324 -6.970 1.00 0.00 C ATOM 1165 C ALA A 77 4.868 4.683 -6.493 1.00 0.00 C ATOM 1166 O ALA A 77 4.645 4.902 -5.303 1.00 0.00 O ATOM 1167 CB ALA A 77 6.310 2.885 -7.464 1.00 0.00 C ATOM 0 H ALA A 77 6.901 4.339 -4.971 1.00 0.00 H new ATOM 0 HA ALA A 77 6.527 4.987 -7.796 1.00 0.00 H new ATOM 0 HB1 ALA A 77 5.572 2.752 -8.255 1.00 0.00 H new ATOM 0 HB2 ALA A 77 7.303 2.661 -7.853 1.00 0.00 H new ATOM 0 HB3 ALA A 77 6.083 2.211 -6.638 1.00 0.00 H new ATOM 1173 N GLU A 78 3.926 4.743 -7.430 1.00 0.00 N ATOM 1174 CA GLU A 78 2.545 5.077 -7.103 1.00 0.00 C ATOM 1175 C GLU A 78 1.819 3.874 -6.509 1.00 0.00 C ATOM 1176 O GLU A 78 1.464 2.935 -7.223 1.00 0.00 O ATOM 1177 CB GLU A 78 1.807 5.567 -8.351 1.00 0.00 C ATOM 1178 CG GLU A 78 0.320 5.788 -8.131 1.00 0.00 C ATOM 1179 CD GLU A 78 -0.418 6.112 -9.415 1.00 0.00 C ATOM 1180 OE1 GLU A 78 -0.485 7.305 -9.777 1.00 0.00 O ATOM 1181 OE2 GLU A 78 -0.929 5.171 -10.059 1.00 0.00 O ATOM 0 H GLU A 78 4.094 4.565 -8.420 1.00 0.00 H new ATOM 0 HA GLU A 78 2.557 5.874 -6.360 1.00 0.00 H new ATOM 0 HB2 GLU A 78 2.259 6.500 -8.687 1.00 0.00 H new ATOM 0 HB3 GLU A 78 1.943 4.841 -9.152 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -0.114 4.894 -7.683 1.00 0.00 H new ATOM 0 HG3 GLU A 78 0.179 6.602 -7.420 1.00 0.00 H new ATOM 1188 N TYR A 79 1.604 3.908 -5.199 1.00 0.00 N ATOM 1189 CA TYR A 79 0.923 2.819 -4.508 1.00 0.00 C ATOM 1190 C TYR A 79 -0.589 3.018 -4.534 1.00 0.00 C ATOM 1191 O TYR A 79 -1.115 3.946 -3.920 1.00 0.00 O ATOM 1192 CB TYR A 79 1.411 2.722 -3.061 1.00 0.00 C ATOM 1193 CG TYR A 79 2.816 2.179 -2.931 1.00 0.00 C ATOM 1194 CD1 TYR A 79 3.918 3.021 -3.017 1.00 0.00 C ATOM 1195 CD2 TYR A 79 3.042 0.824 -2.723 1.00 0.00 C ATOM 1196 CE1 TYR A 79 5.204 2.530 -2.899 1.00 0.00 C ATOM 1197 CE2 TYR A 79 4.324 0.324 -2.603 1.00 0.00 C ATOM 1198 CZ TYR A 79 5.402 1.180 -2.692 1.00 0.00 C ATOM 1199 OH TYR A 79 6.680 0.686 -2.574 1.00 0.00 O ATOM 0 H TYR A 79 1.891 4.677 -4.594 1.00 0.00 H new ATOM 0 HA TYR A 79 1.158 1.890 -5.027 1.00 0.00 H new ATOM 0 HB2 TYR A 79 1.369 3.711 -2.605 1.00 0.00 H new ATOM 0 HB3 TYR A 79 0.730 2.083 -2.499 1.00 0.00 H new ATOM 0 HD1 TYR A 79 3.767 4.078 -3.179 1.00 0.00 H new ATOM 0 HD2 TYR A 79 2.201 0.150 -2.654 1.00 0.00 H new ATOM 0 HE1 TYR A 79 6.049 3.199 -2.968 1.00 0.00 H new ATOM 0 HE2 TYR A 79 4.482 -0.732 -2.440 1.00 0.00 H new ATOM 0 HH TYR A 79 7.291 1.228 -3.115 1.00 0.00 H new ATOM 1209 N SER A 80 -1.283 2.138 -5.249 1.00 0.00 N ATOM 1210 CA SER A 80 -2.734 2.217 -5.359 1.00 0.00 C ATOM 1211 C SER A 80 -3.386 0.915 -4.903 1.00 0.00 C ATOM 1212 O SER A 80 -2.941 -0.175 -5.264 1.00 0.00 O ATOM 1213 CB SER A 80 -3.142 2.526 -6.801 1.00 0.00 C ATOM 1214 OG SER A 80 -2.795 3.854 -7.156 1.00 0.00 O ATOM 0 H SER A 80 -0.863 1.362 -5.761 1.00 0.00 H new ATOM 0 HA SER A 80 -3.078 3.023 -4.710 1.00 0.00 H new ATOM 0 HB2 SER A 80 -2.653 1.826 -7.478 1.00 0.00 H new ATOM 0 HB3 SER A 80 -4.217 2.384 -6.917 1.00 0.00 H new ATOM 0 HG SER A 80 -3.065 4.026 -8.082 1.00 0.00 H new ATOM 1220 N VAL A 81 -4.443 1.037 -4.107 1.00 0.00 N ATOM 1221 CA VAL A 81 -5.157 -0.130 -3.601 1.00 0.00 C ATOM 1222 C VAL A 81 -6.428 -0.386 -4.403 1.00 0.00 C ATOM 1223 O VAL A 81 -6.885 0.476 -5.153 1.00 0.00 O ATOM 1224 CB VAL A 81 -5.526 0.039 -2.115 1.00 0.00 C ATOM 1225 CG1 VAL A 81 -4.383 0.691 -1.352 1.00 0.00 C ATOM 1226 CG2 VAL A 81 -6.805 0.850 -1.972 1.00 0.00 C ATOM 0 H VAL A 81 -4.824 1.931 -3.798 1.00 0.00 H new ATOM 0 HA VAL A 81 -4.486 -0.983 -3.706 1.00 0.00 H new ATOM 0 HB VAL A 81 -5.700 -0.948 -1.687 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -4.662 0.802 -0.304 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -3.493 0.066 -1.426 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -4.174 1.672 -1.778 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -7.050 0.959 -0.916 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -6.662 1.836 -2.415 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -7.620 0.337 -2.483 1.00 0.00 H new ATOM 1236 N MET A 82 -6.996 -1.576 -4.238 1.00 0.00 N ATOM 1237 CA MET A 82 -8.216 -1.945 -4.945 1.00 0.00 C ATOM 1238 C MET A 82 -9.076 -2.876 -4.097 1.00 0.00 C ATOM 1239 O MET A 82 -8.638 -3.957 -3.703 1.00 0.00 O ATOM 1240 CB MET A 82 -7.876 -2.618 -6.276 1.00 0.00 C ATOM 1241 CG MET A 82 -8.919 -2.387 -7.358 1.00 0.00 C ATOM 1242 SD MET A 82 -8.625 -3.386 -8.830 1.00 0.00 S ATOM 1243 CE MET A 82 -8.919 -5.032 -8.187 1.00 0.00 C ATOM 0 H MET A 82 -6.631 -2.301 -3.621 1.00 0.00 H new ATOM 0 HA MET A 82 -8.782 -1.034 -5.140 1.00 0.00 H new ATOM 0 HB2 MET A 82 -6.913 -2.246 -6.626 1.00 0.00 H new ATOM 0 HB3 MET A 82 -7.764 -3.690 -6.114 1.00 0.00 H new ATOM 0 HG2 MET A 82 -9.907 -2.616 -6.959 1.00 0.00 H new ATOM 0 HG3 MET A 82 -8.923 -1.333 -7.634 1.00 0.00 H new ATOM 0 HE1 MET A 82 -7.970 -5.558 -8.086 1.00 0.00 H new ATOM 0 HE2 MET A 82 -9.400 -4.961 -7.212 1.00 0.00 H new ATOM 0 HE3 MET A 82 -9.566 -5.580 -8.872 1.00 0.00 H new ATOM 1253 N THR A 83 -10.304 -2.449 -3.817 1.00 0.00 N ATOM 1254 CA THR A 83 -11.225 -3.244 -3.013 1.00 0.00 C ATOM 1255 C THR A 83 -12.416 -3.710 -3.842 1.00 0.00 C ATOM 1256 O THR A 83 -12.473 -3.481 -5.051 1.00 0.00 O ATOM 1257 CB THR A 83 -11.739 -2.450 -1.798 1.00 0.00 C ATOM 1258 OG1 THR A 83 -12.449 -1.287 -2.238 1.00 0.00 O ATOM 1259 CG2 THR A 83 -10.587 -2.035 -0.895 1.00 0.00 C ATOM 0 H THR A 83 -10.684 -1.557 -4.135 1.00 0.00 H new ATOM 0 HA THR A 83 -10.669 -4.113 -2.661 1.00 0.00 H new ATOM 0 HB THR A 83 -12.411 -3.093 -1.230 1.00 0.00 H new ATOM 0 HG1 THR A 83 -13.327 -1.256 -1.803 1.00 0.00 H new ATOM 0 HG21 THR A 83 -10.975 -1.476 -0.044 1.00 0.00 H new ATOM 0 HG22 THR A 83 -10.066 -2.924 -0.538 1.00 0.00 H new ATOM 0 HG23 THR A 83 -9.893 -1.408 -1.455 1.00 0.00 H new ATOM 1267 N THR A 84 -13.368 -4.365 -3.186 1.00 0.00 N ATOM 1268 CA THR A 84 -14.559 -4.864 -3.862 1.00 0.00 C ATOM 1269 C THR A 84 -15.309 -3.735 -4.559 1.00 0.00 C ATOM 1270 O THR A 84 -15.906 -3.933 -5.616 1.00 0.00 O ATOM 1271 CB THR A 84 -15.512 -5.567 -2.877 1.00 0.00 C ATOM 1272 OG1 THR A 84 -15.891 -4.664 -1.833 1.00 0.00 O ATOM 1273 CG2 THR A 84 -14.854 -6.800 -2.275 1.00 0.00 C ATOM 0 H THR A 84 -13.337 -4.563 -2.186 1.00 0.00 H new ATOM 0 HA THR A 84 -14.221 -5.586 -4.606 1.00 0.00 H new ATOM 0 HB THR A 84 -16.400 -5.880 -3.426 1.00 0.00 H new ATOM 0 HG1 THR A 84 -16.857 -4.728 -1.680 1.00 0.00 H new ATOM 0 HG21 THR A 84 -15.546 -7.280 -1.583 1.00 0.00 H new ATOM 0 HG22 THR A 84 -14.594 -7.498 -3.070 1.00 0.00 H new ATOM 0 HG23 THR A 84 -13.951 -6.506 -1.740 1.00 0.00 H new ATOM 1281 N GLY A 85 -15.274 -2.548 -3.959 1.00 0.00 N ATOM 1282 CA GLY A 85 -15.954 -1.404 -4.537 1.00 0.00 C ATOM 1283 C GLY A 85 -15.286 -0.091 -4.182 1.00 0.00 C ATOM 1284 O GLY A 85 -15.953 0.871 -3.804 1.00 0.00 O ATOM 0 H GLY A 85 -14.787 -2.359 -3.083 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -15.982 -1.512 -5.621 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -16.988 -1.387 -4.191 1.00 0.00 H new ATOM 1288 N GLY A 86 -13.962 -0.051 -4.302 1.00 0.00 N ATOM 1289 CA GLY A 86 -13.225 1.158 -3.985 1.00 0.00 C ATOM 1290 C GLY A 86 -11.784 1.098 -4.453 1.00 0.00 C ATOM 1291 O GLY A 86 -11.247 0.016 -4.689 1.00 0.00 O ATOM 0 H GLY A 86 -13.387 -0.834 -4.613 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -13.719 2.013 -4.448 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -13.247 1.322 -2.908 1.00 0.00 H new ATOM 1295 N GLN A 87 -11.159 2.263 -4.590 1.00 0.00 N ATOM 1296 CA GLN A 87 -9.773 2.338 -5.036 1.00 0.00 C ATOM 1297 C GLN A 87 -9.098 3.598 -4.505 1.00 0.00 C ATOM 1298 O GLN A 87 -9.749 4.621 -4.295 1.00 0.00 O ATOM 1299 CB GLN A 87 -9.704 2.313 -6.564 1.00 0.00 C ATOM 1300 CG GLN A 87 -10.270 3.562 -7.218 1.00 0.00 C ATOM 1301 CD GLN A 87 -9.295 4.723 -7.202 1.00 0.00 C ATOM 1302 OE1 GLN A 87 -8.095 4.543 -7.413 1.00 0.00 O ATOM 1303 NE2 GLN A 87 -9.805 5.922 -6.950 1.00 0.00 N ATOM 0 H GLN A 87 -11.590 3.167 -4.399 1.00 0.00 H new ATOM 0 HA GLN A 87 -9.244 1.471 -4.642 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -8.665 2.191 -6.871 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -10.249 1.443 -6.930 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -10.543 3.336 -8.249 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -11.185 3.854 -6.703 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -10.806 6.025 -6.781 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -9.196 6.740 -6.926 1.00 0.00 H new ATOM 1312 N SER A 88 -7.788 3.517 -4.291 1.00 0.00 N ATOM 1313 CA SER A 88 -7.026 4.650 -3.781 1.00 0.00 C ATOM 1314 C SER A 88 -5.639 4.702 -4.416 1.00 0.00 C ATOM 1315 O SER A 88 -5.162 3.713 -4.972 1.00 0.00 O ATOM 1316 CB SER A 88 -6.898 4.563 -2.259 1.00 0.00 C ATOM 1317 OG SER A 88 -6.363 5.760 -1.722 1.00 0.00 O ATOM 0 H SER A 88 -7.233 2.679 -4.463 1.00 0.00 H new ATOM 0 HA SER A 88 -7.562 5.563 -4.042 1.00 0.00 H new ATOM 0 HB2 SER A 88 -7.876 4.369 -1.819 1.00 0.00 H new ATOM 0 HB3 SER A 88 -6.257 3.723 -1.992 1.00 0.00 H new ATOM 0 HG SER A 88 -7.021 6.481 -1.810 1.00 0.00 H new ATOM 1323 N SER A 89 -4.998 5.863 -4.329 1.00 0.00 N ATOM 1324 CA SER A 89 -3.668 6.046 -4.898 1.00 0.00 C ATOM 1325 C SER A 89 -2.843 7.011 -4.051 1.00 0.00 C ATOM 1326 O SER A 89 -3.377 7.952 -3.465 1.00 0.00 O ATOM 1327 CB SER A 89 -3.772 6.569 -6.332 1.00 0.00 C ATOM 1328 OG SER A 89 -4.616 7.706 -6.401 1.00 0.00 O ATOM 0 H SER A 89 -5.378 6.691 -3.870 1.00 0.00 H new ATOM 0 HA SER A 89 -3.167 5.078 -4.907 1.00 0.00 H new ATOM 0 HB2 SER A 89 -2.779 6.826 -6.701 1.00 0.00 H new ATOM 0 HB3 SER A 89 -4.160 5.784 -6.981 1.00 0.00 H new ATOM 0 HG SER A 89 -4.664 8.022 -7.327 1.00 0.00 H new ATOM 1334 N ALA A 90 -1.538 6.769 -3.992 1.00 0.00 N ATOM 1335 CA ALA A 90 -0.638 7.615 -3.220 1.00 0.00 C ATOM 1336 C ALA A 90 0.760 7.631 -3.829 1.00 0.00 C ATOM 1337 O ALA A 90 1.231 6.622 -4.354 1.00 0.00 O ATOM 1338 CB ALA A 90 -0.580 7.144 -1.774 1.00 0.00 C ATOM 0 H ALA A 90 -1.080 5.993 -4.470 1.00 0.00 H new ATOM 0 HA ALA A 90 -1.028 8.633 -3.244 1.00 0.00 H new ATOM 0 HB1 ALA A 90 0.096 7.786 -1.209 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -1.577 7.192 -1.335 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -0.218 6.116 -1.740 1.00 0.00 H new ATOM 1344 N LYS A 91 1.418 8.783 -3.758 1.00 0.00 N ATOM 1345 CA LYS A 91 2.763 8.931 -4.302 1.00 0.00 C ATOM 1346 C LYS A 91 3.813 8.783 -3.205 1.00 0.00 C ATOM 1347 O LYS A 91 3.734 9.437 -2.164 1.00 0.00 O ATOM 1348 CB LYS A 91 2.912 10.292 -4.985 1.00 0.00 C ATOM 1349 CG LYS A 91 2.363 10.325 -6.401 1.00 0.00 C ATOM 1350 CD LYS A 91 2.874 11.533 -7.169 1.00 0.00 C ATOM 1351 CE LYS A 91 4.322 11.351 -7.596 1.00 0.00 C ATOM 1352 NZ LYS A 91 4.935 12.633 -8.039 1.00 0.00 N ATOM 0 H LYS A 91 1.042 9.628 -3.329 1.00 0.00 H new ATOM 0 HA LYS A 91 2.919 8.143 -5.038 1.00 0.00 H new ATOM 0 HB2 LYS A 91 2.400 11.047 -4.388 1.00 0.00 H new ATOM 0 HB3 LYS A 91 3.967 10.565 -5.007 1.00 0.00 H new ATOM 0 HG2 LYS A 91 2.649 9.412 -6.924 1.00 0.00 H new ATOM 0 HG3 LYS A 91 1.274 10.347 -6.370 1.00 0.00 H new ATOM 0 HD2 LYS A 91 2.252 11.696 -8.049 1.00 0.00 H new ATOM 0 HD3 LYS A 91 2.786 12.424 -6.548 1.00 0.00 H new ATOM 0 HE2 LYS A 91 4.897 10.942 -6.765 1.00 0.00 H new ATOM 0 HE3 LYS A 91 4.373 10.625 -8.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 5.922 12.466 -8.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 4.402 13.011 -8.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 4.910 13.318 -7.257 1.00 0.00 H new ATOM 1366 N LEU A 92 4.796 7.923 -3.446 1.00 0.00 N ATOM 1367 CA LEU A 92 5.863 7.691 -2.479 1.00 0.00 C ATOM 1368 C LEU A 92 7.206 8.165 -3.026 1.00 0.00 C ATOM 1369 O LEU A 92 7.772 7.551 -3.930 1.00 0.00 O ATOM 1370 CB LEU A 92 5.941 6.205 -2.123 1.00 0.00 C ATOM 1371 CG LEU A 92 6.885 5.838 -0.977 1.00 0.00 C ATOM 1372 CD1 LEU A 92 6.354 6.374 0.344 1.00 0.00 C ATOM 1373 CD2 LEU A 92 7.076 4.330 -0.905 1.00 0.00 C ATOM 0 H LEU A 92 4.876 7.375 -4.302 1.00 0.00 H new ATOM 0 HA LEU A 92 5.635 8.263 -1.579 1.00 0.00 H new ATOM 0 HB2 LEU A 92 4.939 5.860 -1.867 1.00 0.00 H new ATOM 0 HB3 LEU A 92 6.250 5.655 -3.012 1.00 0.00 H new ATOM 0 HG LEU A 92 7.855 6.298 -1.169 1.00 0.00 H new ATOM 0 HD11 LEU A 92 7.038 6.103 1.148 1.00 0.00 H new ATOM 0 HD12 LEU A 92 6.270 7.459 0.289 1.00 0.00 H new ATOM 0 HD13 LEU A 92 5.372 5.944 0.543 1.00 0.00 H new ATOM 0 HD21 LEU A 92 7.751 4.087 -0.084 1.00 0.00 H new ATOM 0 HD22 LEU A 92 6.112 3.849 -0.737 1.00 0.00 H new ATOM 0 HD23 LEU A 92 7.502 3.972 -1.842 1.00 0.00 H new ATOM 1385 N SER A 93 7.711 9.262 -2.469 1.00 0.00 N ATOM 1386 CA SER A 93 8.987 9.820 -2.902 1.00 0.00 C ATOM 1387 C SER A 93 10.112 9.396 -1.963 1.00 0.00 C ATOM 1388 O SER A 93 10.150 9.797 -0.799 1.00 0.00 O ATOM 1389 CB SER A 93 8.906 11.346 -2.962 1.00 0.00 C ATOM 1390 OG SER A 93 8.366 11.780 -4.198 1.00 0.00 O ATOM 0 H SER A 93 7.256 9.781 -1.718 1.00 0.00 H new ATOM 0 HA SER A 93 9.204 9.435 -3.898 1.00 0.00 H new ATOM 0 HB2 SER A 93 8.288 11.713 -2.143 1.00 0.00 H new ATOM 0 HB3 SER A 93 9.900 11.772 -2.826 1.00 0.00 H new ATOM 0 HG SER A 93 8.323 12.759 -4.211 1.00 0.00 H new ATOM 1396 N VAL A 94 11.028 8.581 -2.477 1.00 0.00 N ATOM 1397 CA VAL A 94 12.156 8.103 -1.686 1.00 0.00 C ATOM 1398 C VAL A 94 13.397 8.954 -1.927 1.00 0.00 C ATOM 1399 O VAL A 94 13.879 9.062 -3.054 1.00 0.00 O ATOM 1400 CB VAL A 94 12.484 6.633 -2.009 1.00 0.00 C ATOM 1401 CG1 VAL A 94 13.659 6.152 -1.171 1.00 0.00 C ATOM 1402 CG2 VAL A 94 11.263 5.753 -1.786 1.00 0.00 C ATOM 0 H VAL A 94 11.011 8.238 -3.437 1.00 0.00 H new ATOM 0 HA VAL A 94 11.864 8.181 -0.639 1.00 0.00 H new ATOM 0 HB VAL A 94 12.766 6.564 -3.060 1.00 0.00 H new ATOM 0 HG11 VAL A 94 13.876 5.112 -1.413 1.00 0.00 H new ATOM 0 HG12 VAL A 94 14.534 6.765 -1.386 1.00 0.00 H new ATOM 0 HG13 VAL A 94 13.409 6.234 -0.113 1.00 0.00 H new ATOM 0 HG21 VAL A 94 11.513 4.718 -2.019 1.00 0.00 H new ATOM 0 HG22 VAL A 94 10.948 5.825 -0.745 1.00 0.00 H new ATOM 0 HG23 VAL A 94 10.452 6.085 -2.434 1.00 0.00 H new ATOM 1412 N ASP A 95 13.910 9.557 -0.860 1.00 0.00 N ATOM 1413 CA ASP A 95 15.097 10.399 -0.955 1.00 0.00 C ATOM 1414 C ASP A 95 16.300 9.717 -0.309 1.00 0.00 C ATOM 1415 O ASP A 95 16.156 8.962 0.654 1.00 0.00 O ATOM 1416 CB ASP A 95 14.844 11.752 -0.289 1.00 0.00 C ATOM 1417 CG ASP A 95 13.735 12.533 -0.967 1.00 0.00 C ATOM 1418 OD1 ASP A 95 13.999 13.144 -2.023 1.00 0.00 O ATOM 1419 OD2 ASP A 95 12.602 12.531 -0.441 1.00 0.00 O ATOM 0 H ASP A 95 13.523 9.478 0.080 1.00 0.00 H new ATOM 0 HA ASP A 95 15.316 10.558 -2.011 1.00 0.00 H new ATOM 0 HB2 ASP A 95 14.586 11.595 0.758 1.00 0.00 H new ATOM 0 HB3 ASP A 95 15.762 12.340 -0.307 1.00 0.00 H new