USER MOD reduce.3.24.130724 H: found=0, std=0, add=591, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 592 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 11 CYS SG : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -0.41 K(o=-0.41,f=-2.5!) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 55:sc= 1.16 USER MOD Single : A 34 TYR OH : rot 174:sc= -3.44! USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot -99:sc= 0.181 USER MOD Single : A 39 THR OG1 : rot 114:sc= -0.691 USER MOD Single : A 41 GLN : amide:sc= -0.229 X(o=-0.23,f=-0.23) USER MOD Single : A 42 TYR OH : rot 31:sc= 0.864 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 SER OG : rot -44:sc= 0.494 USER MOD Single : A 55 ASN :FLIP amide:sc= -1.69 F(o=-2.6!,f=-1.7) USER MOD Single : A 58 SER OG : rot 180:sc= -0.224 USER MOD Single : A 67 HIS : no HD1:sc= -2.46 K(o=-2.5,f=-3.4) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot -14:sc= 0.475 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 MET CE :methyl -114:sc= -1.46 (180deg=-1.86) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -2.668 4.137 0.237 1.00 0.00 N ATOM 60 CA GLY A 7 -1.477 3.445 0.696 1.00 0.00 C ATOM 61 C GLY A 7 -1.763 2.509 1.855 1.00 0.00 C ATOM 62 O GLY A 7 -2.727 2.701 2.595 1.00 0.00 O ATOM 0 HA2 GLY A 7 -1.049 2.876 -0.130 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.729 4.177 1.000 1.00 0.00 H new ATOM 66 N LEU A 8 -0.922 1.492 2.011 1.00 0.00 N ATOM 67 CA LEU A 8 -1.088 0.521 3.086 1.00 0.00 C ATOM 68 C LEU A 8 0.260 0.145 3.694 1.00 0.00 C ATOM 69 O LEU A 8 1.248 -0.022 2.979 1.00 0.00 O ATOM 70 CB LEU A 8 -1.793 -0.733 2.563 1.00 0.00 C ATOM 71 CG LEU A 8 -3.280 -0.583 2.243 1.00 0.00 C ATOM 72 CD1 LEU A 8 -3.750 -1.717 1.345 1.00 0.00 C ATOM 73 CD2 LEU A 8 -4.100 -0.540 3.524 1.00 0.00 C ATOM 0 H LEU A 8 -0.119 1.319 1.407 1.00 0.00 H new ATOM 0 HA LEU A 8 -1.701 0.978 3.863 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -1.279 -1.064 1.661 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -1.679 -1.525 3.303 1.00 0.00 H new ATOM 0 HG LEU A 8 -3.424 0.358 1.711 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -4.811 -1.593 1.128 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -3.185 -1.701 0.413 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -3.592 -2.670 1.849 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -5.156 -0.433 3.277 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -3.950 -1.464 4.083 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -3.782 0.307 4.131 1.00 0.00 H new ATOM 85 N ILE A 9 0.290 0.011 5.015 1.00 0.00 N ATOM 86 CA ILE A 9 1.515 -0.349 5.718 1.00 0.00 C ATOM 87 C ILE A 9 1.468 -1.796 6.198 1.00 0.00 C ATOM 88 O ILE A 9 0.808 -2.111 7.188 1.00 0.00 O ATOM 89 CB ILE A 9 1.763 0.574 6.926 1.00 0.00 C ATOM 90 CG1 ILE A 9 1.649 2.041 6.506 1.00 0.00 C ATOM 91 CG2 ILE A 9 3.129 0.295 7.534 1.00 0.00 C ATOM 92 CD1 ILE A 9 2.913 2.590 5.882 1.00 0.00 C ATOM 0 H ILE A 9 -0.520 0.146 5.620 1.00 0.00 H new ATOM 0 HA ILE A 9 2.333 -0.231 5.008 1.00 0.00 H new ATOM 0 HB ILE A 9 1.004 0.372 7.681 1.00 0.00 H new ATOM 0 HG12 ILE A 9 0.828 2.145 5.796 1.00 0.00 H new ATOM 0 HG13 ILE A 9 1.394 2.642 7.379 1.00 0.00 H new ATOM 0 HG21 ILE A 9 3.290 0.955 8.386 1.00 0.00 H new ATOM 0 HG22 ILE A 9 3.175 -0.743 7.865 1.00 0.00 H new ATOM 0 HG23 ILE A 9 3.903 0.472 6.787 1.00 0.00 H new ATOM 0 HD11 ILE A 9 2.760 3.634 5.609 1.00 0.00 H new ATOM 0 HD12 ILE A 9 3.733 2.518 6.597 1.00 0.00 H new ATOM 0 HD13 ILE A 9 3.158 2.014 4.990 1.00 0.00 H new ATOM 104 N ALA A 10 2.176 -2.671 5.491 1.00 0.00 N ATOM 105 CA ALA A 10 2.219 -4.084 5.848 1.00 0.00 C ATOM 106 C ALA A 10 3.429 -4.392 6.724 1.00 0.00 C ATOM 107 O ALA A 10 4.499 -3.809 6.548 1.00 0.00 O ATOM 108 CB ALA A 10 2.239 -4.944 4.594 1.00 0.00 C ATOM 0 H ALA A 10 2.727 -2.426 4.668 1.00 0.00 H new ATOM 0 HA ALA A 10 1.321 -4.317 6.420 1.00 0.00 H new ATOM 0 HB1 ALA A 10 2.271 -5.997 4.875 1.00 0.00 H new ATOM 0 HB2 ALA A 10 1.341 -4.752 4.007 1.00 0.00 H new ATOM 0 HB3 ALA A 10 3.120 -4.700 4.000 1.00 0.00 H new ATOM 114 N CYS A 11 3.251 -5.311 7.666 1.00 0.00 N ATOM 115 CA CYS A 11 4.329 -5.696 8.570 1.00 0.00 C ATOM 116 C CYS A 11 4.625 -7.188 8.460 1.00 0.00 C ATOM 117 O CYS A 11 3.854 -8.021 8.938 1.00 0.00 O ATOM 118 CB CYS A 11 3.964 -5.342 10.013 1.00 0.00 C ATOM 119 SG CYS A 11 5.389 -5.146 11.108 1.00 0.00 S ATOM 0 H CYS A 11 2.372 -5.803 7.824 1.00 0.00 H new ATOM 0 HA CYS A 11 5.224 -5.144 8.283 1.00 0.00 H new ATOM 0 HB2 CYS A 11 3.388 -4.416 10.014 1.00 0.00 H new ATOM 0 HB3 CYS A 11 3.316 -6.121 10.414 1.00 0.00 H new ATOM 0 HG CYS A 11 4.979 -4.846 12.304 1.00 0.00 H new ATOM 125 N VAL A 12 5.745 -7.520 7.827 1.00 0.00 N ATOM 126 CA VAL A 12 6.142 -8.911 7.653 1.00 0.00 C ATOM 127 C VAL A 12 7.117 -9.345 8.742 1.00 0.00 C ATOM 128 O VAL A 12 7.906 -8.542 9.238 1.00 0.00 O ATOM 129 CB VAL A 12 6.792 -9.142 6.276 1.00 0.00 C ATOM 130 CG1 VAL A 12 6.274 -10.427 5.648 1.00 0.00 C ATOM 131 CG2 VAL A 12 6.538 -7.952 5.362 1.00 0.00 C ATOM 0 H VAL A 12 6.394 -6.843 7.426 1.00 0.00 H new ATOM 0 HA VAL A 12 5.234 -9.510 7.723 1.00 0.00 H new ATOM 0 HB VAL A 12 7.868 -9.243 6.414 1.00 0.00 H new ATOM 0 HG11 VAL A 12 6.745 -10.572 4.676 1.00 0.00 H new ATOM 0 HG12 VAL A 12 6.512 -11.270 6.296 1.00 0.00 H new ATOM 0 HG13 VAL A 12 5.193 -10.360 5.521 1.00 0.00 H new ATOM 0 HG21 VAL A 12 7.004 -8.131 4.393 1.00 0.00 H new ATOM 0 HG22 VAL A 12 5.464 -7.818 5.229 1.00 0.00 H new ATOM 0 HG23 VAL A 12 6.963 -7.053 5.808 1.00 0.00 H new ATOM 141 N ALA A 13 7.057 -10.621 9.109 1.00 0.00 N ATOM 142 CA ALA A 13 7.937 -11.162 10.137 1.00 0.00 C ATOM 143 C ALA A 13 9.147 -11.851 9.517 1.00 0.00 C ATOM 144 O ALA A 13 10.193 -11.982 10.152 1.00 0.00 O ATOM 145 CB ALA A 13 7.174 -12.132 11.027 1.00 0.00 C ATOM 0 H ALA A 13 6.408 -11.299 8.710 1.00 0.00 H new ATOM 0 HA ALA A 13 8.297 -10.333 10.746 1.00 0.00 H new ATOM 0 HB1 ALA A 13 7.843 -12.529 11.790 1.00 0.00 H new ATOM 0 HB2 ALA A 13 6.345 -11.611 11.506 1.00 0.00 H new ATOM 0 HB3 ALA A 13 6.786 -12.952 10.423 1.00 0.00 H new ATOM 151 N ASN A 14 8.999 -12.292 8.272 1.00 0.00 N ATOM 152 CA ASN A 14 10.080 -12.969 7.566 1.00 0.00 C ATOM 153 C ASN A 14 11.106 -11.964 7.050 1.00 0.00 C ATOM 154 O ASN A 14 10.887 -11.305 6.034 1.00 0.00 O ATOM 155 CB ASN A 14 9.523 -13.790 6.402 1.00 0.00 C ATOM 156 CG ASN A 14 9.397 -15.263 6.741 1.00 0.00 C ATOM 157 OD1 ASN A 14 10.060 -15.761 7.649 1.00 0.00 O ATOM 158 ND2 ASN A 14 8.541 -15.967 6.009 1.00 0.00 N ATOM 0 H ASN A 14 8.140 -12.192 7.731 1.00 0.00 H new ATOM 0 HA ASN A 14 10.575 -13.639 8.269 1.00 0.00 H new ATOM 0 HB2 ASN A 14 8.545 -13.400 6.121 1.00 0.00 H new ATOM 0 HB3 ASN A 14 10.173 -13.674 5.535 1.00 0.00 H new ATOM 0 HD21 ASN A 14 8.413 -16.963 6.191 1.00 0.00 H new ATOM 0 HD22 ASN A 14 8.012 -15.512 5.265 1.00 0.00 H new ATOM 165 N ASP A 15 12.225 -11.854 7.756 1.00 0.00 N ATOM 166 CA ASP A 15 13.286 -10.932 7.369 1.00 0.00 C ATOM 167 C ASP A 15 13.803 -11.254 5.971 1.00 0.00 C ATOM 168 O ASP A 15 14.487 -10.441 5.348 1.00 0.00 O ATOM 169 CB ASP A 15 14.435 -10.990 8.377 1.00 0.00 C ATOM 170 CG ASP A 15 15.671 -10.258 7.889 1.00 0.00 C ATOM 171 OD1 ASP A 15 15.554 -9.065 7.541 1.00 0.00 O ATOM 172 OD2 ASP A 15 16.754 -10.880 7.856 1.00 0.00 O ATOM 0 H ASP A 15 12.421 -12.392 8.600 1.00 0.00 H new ATOM 0 HA ASP A 15 12.871 -9.924 7.360 1.00 0.00 H new ATOM 0 HB2 ASP A 15 14.108 -10.555 9.322 1.00 0.00 H new ATOM 0 HB3 ASP A 15 14.688 -12.031 8.576 1.00 0.00 H new ATOM 177 N ASP A 16 13.472 -12.444 5.482 1.00 0.00 N ATOM 178 CA ASP A 16 13.903 -12.874 4.158 1.00 0.00 C ATOM 179 C ASP A 16 13.149 -12.116 3.069 1.00 0.00 C ATOM 180 O ASP A 16 13.597 -12.044 1.924 1.00 0.00 O ATOM 181 CB ASP A 16 13.686 -14.379 3.991 1.00 0.00 C ATOM 182 CG ASP A 16 14.721 -15.199 4.737 1.00 0.00 C ATOM 183 OD1 ASP A 16 15.926 -14.902 4.596 1.00 0.00 O ATOM 184 OD2 ASP A 16 14.327 -16.137 5.460 1.00 0.00 O ATOM 0 H ASP A 16 12.906 -13.128 5.984 1.00 0.00 H new ATOM 0 HA ASP A 16 14.966 -12.655 4.060 1.00 0.00 H new ATOM 0 HB2 ASP A 16 12.691 -14.642 4.350 1.00 0.00 H new ATOM 0 HB3 ASP A 16 13.720 -14.633 2.932 1.00 0.00 H new ATOM 189 N VAL A 17 12.001 -11.553 3.434 1.00 0.00 N ATOM 190 CA VAL A 17 11.186 -10.800 2.488 1.00 0.00 C ATOM 191 C VAL A 17 11.910 -9.544 2.016 1.00 0.00 C ATOM 192 O VAL A 17 11.579 -8.979 0.973 1.00 0.00 O ATOM 193 CB VAL A 17 9.835 -10.399 3.109 1.00 0.00 C ATOM 194 CG1 VAL A 17 9.062 -9.490 2.164 1.00 0.00 C ATOM 195 CG2 VAL A 17 9.021 -11.635 3.458 1.00 0.00 C ATOM 0 H VAL A 17 11.615 -11.604 4.377 1.00 0.00 H new ATOM 0 HA VAL A 17 11.006 -11.453 1.634 1.00 0.00 H new ATOM 0 HB VAL A 17 10.027 -9.848 4.029 1.00 0.00 H new ATOM 0 HG11 VAL A 17 8.110 -9.217 2.619 1.00 0.00 H new ATOM 0 HG12 VAL A 17 9.643 -8.589 1.970 1.00 0.00 H new ATOM 0 HG13 VAL A 17 8.878 -10.013 1.225 1.00 0.00 H new ATOM 0 HG21 VAL A 17 8.070 -11.333 3.896 1.00 0.00 H new ATOM 0 HG22 VAL A 17 8.836 -12.216 2.555 1.00 0.00 H new ATOM 0 HG23 VAL A 17 9.573 -12.244 4.174 1.00 0.00 H new ATOM 205 N PHE A 18 12.899 -9.111 2.791 1.00 0.00 N ATOM 206 CA PHE A 18 13.670 -7.921 2.454 1.00 0.00 C ATOM 207 C PHE A 18 14.871 -8.279 1.583 1.00 0.00 C ATOM 208 O PHE A 18 15.853 -7.540 1.525 1.00 0.00 O ATOM 209 CB PHE A 18 14.140 -7.213 3.725 1.00 0.00 C ATOM 210 CG PHE A 18 13.016 -6.786 4.625 1.00 0.00 C ATOM 211 CD1 PHE A 18 12.321 -7.718 5.380 1.00 0.00 C ATOM 212 CD2 PHE A 18 12.653 -5.452 4.715 1.00 0.00 C ATOM 213 CE1 PHE A 18 11.286 -7.328 6.208 1.00 0.00 C ATOM 214 CE2 PHE A 18 11.619 -5.056 5.542 1.00 0.00 C ATOM 215 CZ PHE A 18 10.935 -5.995 6.289 1.00 0.00 C ATOM 0 H PHE A 18 13.185 -9.567 3.657 1.00 0.00 H new ATOM 0 HA PHE A 18 13.023 -7.248 1.891 1.00 0.00 H new ATOM 0 HB2 PHE A 18 14.804 -7.878 4.277 1.00 0.00 H new ATOM 0 HB3 PHE A 18 14.725 -6.336 3.447 1.00 0.00 H new ATOM 0 HD1 PHE A 18 12.592 -8.762 5.320 1.00 0.00 H new ATOM 0 HD2 PHE A 18 13.184 -4.714 4.133 1.00 0.00 H new ATOM 0 HE1 PHE A 18 10.753 -8.064 6.791 1.00 0.00 H new ATOM 0 HE2 PHE A 18 11.346 -4.013 5.604 1.00 0.00 H new ATOM 0 HZ PHE A 18 10.127 -5.687 6.936 1.00 0.00 H new ATOM 262 N GLU A 22 14.083 -13.750 -4.084 1.00 0.00 N ATOM 263 CA GLU A 22 12.799 -14.017 -4.722 1.00 0.00 C ATOM 264 C GLU A 22 11.654 -13.867 -3.725 1.00 0.00 C ATOM 265 O GLU A 22 10.556 -13.437 -4.081 1.00 0.00 O ATOM 266 CB GLU A 22 12.786 -15.426 -5.321 1.00 0.00 C ATOM 267 CG GLU A 22 11.650 -15.658 -6.303 1.00 0.00 C ATOM 268 CD GLU A 22 11.641 -17.069 -6.859 1.00 0.00 C ATOM 269 OE1 GLU A 22 12.734 -17.607 -7.134 1.00 0.00 O ATOM 270 OE2 GLU A 22 10.540 -17.635 -7.021 1.00 0.00 O ATOM 0 HA GLU A 22 12.660 -13.288 -5.520 1.00 0.00 H new ATOM 0 HB2 GLU A 22 13.735 -15.606 -5.827 1.00 0.00 H new ATOM 0 HB3 GLU A 22 12.712 -16.155 -4.514 1.00 0.00 H new ATOM 0 HG2 GLU A 22 10.700 -15.460 -5.807 1.00 0.00 H new ATOM 0 HG3 GLU A 22 11.734 -14.948 -7.125 1.00 0.00 H new ATOM 277 N THR A 23 11.917 -14.224 -2.472 1.00 0.00 N ATOM 278 CA THR A 23 10.910 -14.132 -1.422 1.00 0.00 C ATOM 279 C THR A 23 10.113 -12.838 -1.539 1.00 0.00 C ATOM 280 O THR A 23 8.893 -12.832 -1.372 1.00 0.00 O ATOM 281 CB THR A 23 11.549 -14.204 -0.022 1.00 0.00 C ATOM 282 OG1 THR A 23 12.376 -15.369 0.080 1.00 0.00 O ATOM 283 CG2 THR A 23 10.480 -14.238 1.059 1.00 0.00 C ATOM 0 H THR A 23 12.820 -14.580 -2.159 1.00 0.00 H new ATOM 0 HA THR A 23 10.240 -14.982 -1.550 1.00 0.00 H new ATOM 0 HB THR A 23 12.160 -13.312 0.121 1.00 0.00 H new ATOM 0 HG1 THR A 23 12.780 -15.406 0.972 1.00 0.00 H new ATOM 0 HG21 THR A 23 10.955 -14.289 2.039 1.00 0.00 H new ATOM 0 HG22 THR A 23 9.871 -13.336 0.997 1.00 0.00 H new ATOM 0 HG23 THR A 23 9.847 -15.114 0.917 1.00 0.00 H new ATOM 291 N ARG A 24 10.809 -11.743 -1.826 1.00 0.00 N ATOM 292 CA ARG A 24 10.165 -10.442 -1.965 1.00 0.00 C ATOM 293 C ARG A 24 9.022 -10.506 -2.974 1.00 0.00 C ATOM 294 O ARG A 24 7.933 -9.988 -2.727 1.00 0.00 O ATOM 295 CB ARG A 24 11.184 -9.388 -2.398 1.00 0.00 C ATOM 296 CG ARG A 24 10.559 -8.054 -2.773 1.00 0.00 C ATOM 297 CD ARG A 24 11.620 -7.008 -3.077 1.00 0.00 C ATOM 298 NE ARG A 24 11.393 -6.356 -4.364 1.00 0.00 N ATOM 299 CZ ARG A 24 12.345 -5.734 -5.052 1.00 0.00 C ATOM 300 NH1 ARG A 24 13.582 -5.681 -4.577 1.00 0.00 N ATOM 301 NH2 ARG A 24 12.061 -5.165 -6.216 1.00 0.00 N ATOM 0 H ARG A 24 11.819 -11.731 -1.967 1.00 0.00 H new ATOM 0 HA ARG A 24 9.755 -10.163 -0.995 1.00 0.00 H new ATOM 0 HB2 ARG A 24 11.897 -9.231 -1.589 1.00 0.00 H new ATOM 0 HB3 ARG A 24 11.747 -9.768 -3.250 1.00 0.00 H new ATOM 0 HG2 ARG A 24 9.915 -8.184 -3.643 1.00 0.00 H new ATOM 0 HG3 ARG A 24 9.926 -7.705 -1.957 1.00 0.00 H new ATOM 0 HD2 ARG A 24 11.626 -6.258 -2.287 1.00 0.00 H new ATOM 0 HD3 ARG A 24 12.603 -7.478 -3.077 1.00 0.00 H new ATOM 0 HE ARG A 24 10.452 -6.379 -4.757 1.00 0.00 H new ATOM 0 HH11 ARG A 24 13.804 -6.118 -3.682 1.00 0.00 H new ATOM 0 HH12 ARG A 24 14.311 -5.203 -5.106 1.00 0.00 H new ATOM 0 HH21 ARG A 24 11.111 -5.204 -6.585 1.00 0.00 H new ATOM 0 HH22 ARG A 24 12.793 -4.688 -6.743 1.00 0.00 H new ATOM 315 N ALA A 25 9.279 -11.144 -4.111 1.00 0.00 N ATOM 316 CA ALA A 25 8.273 -11.276 -5.157 1.00 0.00 C ATOM 317 C ALA A 25 7.008 -11.936 -4.620 1.00 0.00 C ATOM 318 O ALA A 25 5.894 -11.524 -4.945 1.00 0.00 O ATOM 319 CB ALA A 25 8.830 -12.073 -6.328 1.00 0.00 C ATOM 0 H ALA A 25 10.176 -11.578 -4.331 1.00 0.00 H new ATOM 0 HA ALA A 25 8.012 -10.276 -5.504 1.00 0.00 H new ATOM 0 HB1 ALA A 25 8.068 -12.164 -7.102 1.00 0.00 H new ATOM 0 HB2 ALA A 25 9.701 -11.560 -6.735 1.00 0.00 H new ATOM 0 HB3 ALA A 25 9.120 -13.067 -5.987 1.00 0.00 H new ATOM 325 N LYS A 26 7.184 -12.964 -3.797 1.00 0.00 N ATOM 326 CA LYS A 26 6.057 -13.682 -3.214 1.00 0.00 C ATOM 327 C LYS A 26 5.149 -12.731 -2.439 1.00 0.00 C ATOM 328 O LYS A 26 3.943 -12.954 -2.339 1.00 0.00 O ATOM 329 CB LYS A 26 6.557 -14.794 -2.290 1.00 0.00 C ATOM 330 CG LYS A 26 7.295 -15.904 -3.017 1.00 0.00 C ATOM 331 CD LYS A 26 8.036 -16.809 -2.047 1.00 0.00 C ATOM 332 CE LYS A 26 9.316 -17.356 -2.662 1.00 0.00 C ATOM 333 NZ LYS A 26 10.041 -18.256 -1.725 1.00 0.00 N ATOM 0 H LYS A 26 8.099 -13.319 -3.518 1.00 0.00 H new ATOM 0 HA LYS A 26 5.481 -14.125 -4.026 1.00 0.00 H new ATOM 0 HB2 LYS A 26 7.218 -14.361 -1.539 1.00 0.00 H new ATOM 0 HB3 LYS A 26 5.707 -15.222 -1.758 1.00 0.00 H new ATOM 0 HG2 LYS A 26 6.586 -16.494 -3.597 1.00 0.00 H new ATOM 0 HG3 LYS A 26 8.002 -15.470 -3.724 1.00 0.00 H new ATOM 0 HD2 LYS A 26 8.275 -16.254 -1.140 1.00 0.00 H new ATOM 0 HD3 LYS A 26 7.390 -17.636 -1.753 1.00 0.00 H new ATOM 0 HE2 LYS A 26 9.076 -17.900 -3.576 1.00 0.00 H new ATOM 0 HE3 LYS A 26 9.965 -16.528 -2.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 10.907 -18.608 -2.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 10.293 -17.730 -0.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 9.431 -19.060 -1.474 1.00 0.00 H new ATOM 347 N PHE A 27 5.737 -11.672 -1.895 1.00 0.00 N ATOM 348 CA PHE A 27 4.981 -10.687 -1.130 1.00 0.00 C ATOM 349 C PHE A 27 4.389 -9.621 -2.049 1.00 0.00 C ATOM 350 O PHE A 27 3.341 -9.048 -1.756 1.00 0.00 O ATOM 351 CB PHE A 27 5.876 -10.029 -0.079 1.00 0.00 C ATOM 352 CG PHE A 27 5.298 -8.768 0.497 1.00 0.00 C ATOM 353 CD1 PHE A 27 5.276 -7.597 -0.244 1.00 0.00 C ATOM 354 CD2 PHE A 27 4.776 -8.754 1.781 1.00 0.00 C ATOM 355 CE1 PHE A 27 4.745 -6.436 0.284 1.00 0.00 C ATOM 356 CE2 PHE A 27 4.243 -7.596 2.314 1.00 0.00 C ATOM 357 CZ PHE A 27 4.228 -6.436 1.565 1.00 0.00 C ATOM 0 H PHE A 27 6.735 -11.473 -1.969 1.00 0.00 H new ATOM 0 HA PHE A 27 4.163 -11.204 -0.628 1.00 0.00 H new ATOM 0 HB2 PHE A 27 6.056 -10.738 0.729 1.00 0.00 H new ATOM 0 HB3 PHE A 27 6.844 -9.804 -0.527 1.00 0.00 H new ATOM 0 HD1 PHE A 27 5.679 -7.592 -1.246 1.00 0.00 H new ATOM 0 HD2 PHE A 27 4.786 -9.658 2.371 1.00 0.00 H new ATOM 0 HE1 PHE A 27 4.734 -5.530 -0.304 1.00 0.00 H new ATOM 0 HE2 PHE A 27 3.839 -7.598 3.315 1.00 0.00 H new ATOM 0 HZ PHE A 27 3.813 -5.530 1.980 1.00 0.00 H new ATOM 367 N GLU A 28 5.071 -9.363 -3.160 1.00 0.00 N ATOM 368 CA GLU A 28 4.613 -8.365 -4.122 1.00 0.00 C ATOM 369 C GLU A 28 3.448 -8.901 -4.948 1.00 0.00 C ATOM 370 O GLU A 28 2.347 -8.351 -4.919 1.00 0.00 O ATOM 371 CB GLU A 28 5.761 -7.952 -5.045 1.00 0.00 C ATOM 372 CG GLU A 28 6.243 -6.529 -4.817 1.00 0.00 C ATOM 373 CD GLU A 28 7.180 -6.048 -5.909 1.00 0.00 C ATOM 374 OE1 GLU A 28 6.778 -6.078 -7.091 1.00 0.00 O ATOM 375 OE2 GLU A 28 8.314 -5.643 -5.581 1.00 0.00 O ATOM 0 H GLU A 28 5.941 -9.830 -3.417 1.00 0.00 H new ATOM 0 HA GLU A 28 4.270 -7.492 -3.567 1.00 0.00 H new ATOM 0 HB2 GLU A 28 6.596 -8.637 -4.901 1.00 0.00 H new ATOM 0 HB3 GLU A 28 5.439 -8.056 -6.081 1.00 0.00 H new ATOM 0 HG2 GLU A 28 5.382 -5.862 -4.762 1.00 0.00 H new ATOM 0 HG3 GLU A 28 6.752 -6.472 -3.855 1.00 0.00 H new ATOM 382 N SER A 29 3.699 -9.977 -5.687 1.00 0.00 N ATOM 383 CA SER A 29 2.673 -10.585 -6.525 1.00 0.00 C ATOM 384 C SER A 29 1.300 -10.480 -5.867 1.00 0.00 C ATOM 385 O SER A 29 0.292 -10.255 -6.538 1.00 0.00 O ATOM 386 CB SER A 29 3.009 -12.053 -6.797 1.00 0.00 C ATOM 387 OG SER A 29 2.954 -12.818 -5.605 1.00 0.00 O ATOM 0 H SER A 29 4.604 -10.445 -5.722 1.00 0.00 H new ATOM 0 HA SER A 29 2.646 -10.044 -7.471 1.00 0.00 H new ATOM 0 HB2 SER A 29 2.309 -12.460 -7.527 1.00 0.00 H new ATOM 0 HB3 SER A 29 4.005 -12.126 -7.234 1.00 0.00 H new ATOM 0 HG SER A 29 3.171 -13.752 -5.806 1.00 0.00 H new ATOM 393 N LEU A 30 1.270 -10.644 -4.549 1.00 0.00 N ATOM 394 CA LEU A 30 0.022 -10.568 -3.797 1.00 0.00 C ATOM 395 C LEU A 30 -0.727 -9.277 -4.114 1.00 0.00 C ATOM 396 O LEU A 30 -1.835 -9.306 -4.651 1.00 0.00 O ATOM 397 CB LEU A 30 0.302 -10.653 -2.296 1.00 0.00 C ATOM 398 CG LEU A 30 0.699 -12.031 -1.765 1.00 0.00 C ATOM 399 CD1 LEU A 30 1.289 -11.914 -0.367 1.00 0.00 C ATOM 400 CD2 LEU A 30 -0.499 -12.969 -1.764 1.00 0.00 C ATOM 0 H LEU A 30 2.095 -10.830 -3.979 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.603 -11.411 -4.092 1.00 0.00 H new ATOM 0 HB2 LEU A 30 1.099 -9.949 -2.055 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.588 -10.322 -1.761 1.00 0.00 H new ATOM 0 HG LEU A 30 1.460 -12.448 -2.425 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.566 -12.904 -0.005 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.174 -11.278 -0.398 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.550 -11.476 0.304 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -0.197 -13.945 -1.383 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -1.283 -12.558 -1.128 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.877 -13.078 -2.781 1.00 0.00 H new ATOM 412 N PHE A 31 -0.114 -8.147 -3.779 1.00 0.00 N ATOM 413 CA PHE A 31 -0.722 -6.844 -4.030 1.00 0.00 C ATOM 414 C PHE A 31 -0.761 -6.541 -5.525 1.00 0.00 C ATOM 415 O PHE A 31 -1.803 -6.176 -6.068 1.00 0.00 O ATOM 416 CB PHE A 31 0.052 -5.748 -3.295 1.00 0.00 C ATOM 417 CG PHE A 31 0.365 -6.090 -1.866 1.00 0.00 C ATOM 418 CD1 PHE A 31 1.480 -6.850 -1.551 1.00 0.00 C ATOM 419 CD2 PHE A 31 -0.454 -5.651 -0.839 1.00 0.00 C ATOM 420 CE1 PHE A 31 1.771 -7.167 -0.238 1.00 0.00 C ATOM 421 CE2 PHE A 31 -0.169 -5.965 0.477 1.00 0.00 C ATOM 422 CZ PHE A 31 0.946 -6.723 0.778 1.00 0.00 C ATOM 0 H PHE A 31 0.803 -8.106 -3.333 1.00 0.00 H new ATOM 0 HA PHE A 31 -1.746 -6.869 -3.656 1.00 0.00 H new ATOM 0 HB2 PHE A 31 0.984 -5.554 -3.826 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -0.528 -4.825 -3.321 1.00 0.00 H new ATOM 0 HD1 PHE A 31 2.129 -7.199 -2.341 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -1.326 -5.056 -1.069 1.00 0.00 H new ATOM 0 HE1 PHE A 31 2.642 -7.761 -0.006 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -0.817 -5.618 1.268 1.00 0.00 H new ATOM 0 HZ PHE A 31 1.173 -6.968 1.805 1.00 0.00 H new ATOM 432 N ARG A 32 0.384 -6.694 -6.183 1.00 0.00 N ATOM 433 CA ARG A 32 0.482 -6.434 -7.614 1.00 0.00 C ATOM 434 C ARG A 32 -0.667 -7.100 -8.368 1.00 0.00 C ATOM 435 O ARG A 32 -1.300 -6.485 -9.227 1.00 0.00 O ATOM 436 CB ARG A 32 1.821 -6.939 -8.155 1.00 0.00 C ATOM 437 CG ARG A 32 2.462 -6.001 -9.166 1.00 0.00 C ATOM 438 CD ARG A 32 1.918 -6.234 -10.566 1.00 0.00 C ATOM 439 NE ARG A 32 2.743 -5.594 -11.587 1.00 0.00 N ATOM 440 CZ ARG A 32 3.934 -6.048 -11.960 1.00 0.00 C ATOM 441 NH1 ARG A 32 4.438 -7.138 -11.397 1.00 0.00 N ATOM 442 NH2 ARG A 32 4.626 -5.410 -12.896 1.00 0.00 N ATOM 0 H ARG A 32 1.256 -6.996 -5.748 1.00 0.00 H new ATOM 0 HA ARG A 32 0.419 -5.357 -7.767 1.00 0.00 H new ATOM 0 HB2 ARG A 32 2.508 -7.086 -7.322 1.00 0.00 H new ATOM 0 HB3 ARG A 32 1.671 -7.913 -8.620 1.00 0.00 H new ATOM 0 HG2 ARG A 32 2.280 -4.968 -8.871 1.00 0.00 H new ATOM 0 HG3 ARG A 32 3.542 -6.147 -9.165 1.00 0.00 H new ATOM 0 HD2 ARG A 32 1.866 -7.305 -10.761 1.00 0.00 H new ATOM 0 HD3 ARG A 32 0.900 -5.849 -10.628 1.00 0.00 H new ATOM 0 HE ARG A 32 2.385 -4.752 -12.038 1.00 0.00 H new ATOM 0 HH11 ARG A 32 3.911 -7.630 -10.676 1.00 0.00 H new ATOM 0 HH12 ARG A 32 5.353 -7.484 -11.685 1.00 0.00 H new ATOM 0 HH21 ARG A 32 4.243 -4.570 -13.330 1.00 0.00 H new ATOM 0 HH22 ARG A 32 5.541 -5.760 -13.181 1.00 0.00 H new ATOM 456 N THR A 33 -0.930 -8.361 -8.041 1.00 0.00 N ATOM 457 CA THR A 33 -2.000 -9.110 -8.686 1.00 0.00 C ATOM 458 C THR A 33 -3.243 -8.246 -8.870 1.00 0.00 C ATOM 459 O THR A 33 -3.962 -8.381 -9.861 1.00 0.00 O ATOM 460 CB THR A 33 -2.376 -10.364 -7.876 1.00 0.00 C ATOM 461 OG1 THR A 33 -1.344 -11.350 -7.991 1.00 0.00 O ATOM 462 CG2 THR A 33 -3.696 -10.947 -8.359 1.00 0.00 C ATOM 0 H THR A 33 -0.416 -8.885 -7.333 1.00 0.00 H new ATOM 0 HA THR A 33 -1.626 -9.417 -9.663 1.00 0.00 H new ATOM 0 HB THR A 33 -2.486 -10.073 -6.831 1.00 0.00 H new ATOM 0 HG1 THR A 33 -0.486 -10.958 -7.724 1.00 0.00 H new ATOM 0 HG21 THR A 33 -3.940 -11.832 -7.771 1.00 0.00 H new ATOM 0 HG22 THR A 33 -4.486 -10.205 -8.242 1.00 0.00 H new ATOM 0 HG23 THR A 33 -3.609 -11.222 -9.410 1.00 0.00 H new ATOM 470 N TYR A 34 -3.489 -7.361 -7.913 1.00 0.00 N ATOM 471 CA TYR A 34 -4.646 -6.476 -7.969 1.00 0.00 C ATOM 472 C TYR A 34 -4.404 -5.322 -8.938 1.00 0.00 C ATOM 473 O TYR A 34 -4.974 -5.283 -10.028 1.00 0.00 O ATOM 474 CB TYR A 34 -4.964 -5.928 -6.576 1.00 0.00 C ATOM 475 CG TYR A 34 -5.088 -7.000 -5.518 1.00 0.00 C ATOM 476 CD1 TYR A 34 -6.022 -8.021 -5.643 1.00 0.00 C ATOM 477 CD2 TYR A 34 -4.273 -6.992 -4.393 1.00 0.00 C ATOM 478 CE1 TYR A 34 -6.141 -9.004 -4.678 1.00 0.00 C ATOM 479 CE2 TYR A 34 -4.383 -7.971 -3.424 1.00 0.00 C ATOM 480 CZ TYR A 34 -5.319 -8.974 -3.571 1.00 0.00 C ATOM 481 OH TYR A 34 -5.433 -9.950 -2.608 1.00 0.00 O ATOM 0 H TYR A 34 -2.903 -7.237 -7.088 1.00 0.00 H new ATOM 0 HA TYR A 34 -5.497 -7.056 -8.328 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -4.181 -5.228 -6.283 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -5.896 -5.364 -6.621 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -6.666 -8.047 -6.509 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -3.541 -6.207 -4.274 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -6.873 -9.790 -4.790 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -3.740 -7.951 -2.557 1.00 0.00 H new ATOM 0 HH TYR A 34 -4.720 -9.840 -1.945 1.00 0.00 H new ATOM 491 N ASP A 35 -3.553 -4.386 -8.532 1.00 0.00 N ATOM 492 CA ASP A 35 -3.232 -3.232 -9.364 1.00 0.00 C ATOM 493 C ASP A 35 -1.822 -3.347 -9.933 1.00 0.00 C ATOM 494 O ASP A 35 -0.925 -3.898 -9.293 1.00 0.00 O ATOM 495 CB ASP A 35 -3.364 -1.941 -8.554 1.00 0.00 C ATOM 496 CG ASP A 35 -3.677 -0.741 -9.426 1.00 0.00 C ATOM 497 OD1 ASP A 35 -4.874 -0.475 -9.662 1.00 0.00 O ATOM 498 OD2 ASP A 35 -2.725 -0.067 -9.873 1.00 0.00 O ATOM 0 H ASP A 35 -3.073 -4.404 -7.632 1.00 0.00 H new ATOM 0 HA ASP A 35 -3.938 -3.206 -10.194 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -4.151 -2.061 -7.810 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -2.437 -1.760 -8.011 1.00 0.00 H new ATOM 503 N LYS A 36 -1.631 -2.826 -11.140 1.00 0.00 N ATOM 504 CA LYS A 36 -0.331 -2.869 -11.797 1.00 0.00 C ATOM 505 C LYS A 36 0.465 -1.599 -11.515 1.00 0.00 C ATOM 506 O LYS A 36 1.684 -1.569 -11.679 1.00 0.00 O ATOM 507 CB LYS A 36 -0.504 -3.051 -13.306 1.00 0.00 C ATOM 508 CG LYS A 36 -1.207 -4.342 -13.687 1.00 0.00 C ATOM 509 CD LYS A 36 -0.311 -5.241 -14.521 1.00 0.00 C ATOM 510 CE LYS A 36 -1.095 -5.951 -15.614 1.00 0.00 C ATOM 511 NZ LYS A 36 -0.219 -6.370 -16.743 1.00 0.00 N ATOM 0 H LYS A 36 -2.362 -2.368 -11.684 1.00 0.00 H new ATOM 0 HA LYS A 36 0.222 -3.719 -11.396 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -1.070 -2.208 -13.702 1.00 0.00 H new ATOM 0 HB3 LYS A 36 0.477 -3.028 -13.781 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -1.514 -4.870 -12.784 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -2.114 -4.112 -14.246 1.00 0.00 H new ATOM 0 HD2 LYS A 36 0.485 -4.647 -14.970 1.00 0.00 H new ATOM 0 HD3 LYS A 36 0.167 -5.979 -13.877 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -1.591 -6.827 -15.195 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -1.877 -5.290 -15.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -0.791 -6.850 -17.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 0.235 -5.532 -17.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 0.512 -7.021 -16.392 1.00 0.00 H new ATOM 525 N ASP A 37 -0.234 -0.552 -11.089 1.00 0.00 N ATOM 526 CA ASP A 37 0.407 0.721 -10.781 1.00 0.00 C ATOM 527 C ASP A 37 0.665 0.853 -9.284 1.00 0.00 C ATOM 528 O ASP A 37 0.682 1.956 -8.740 1.00 0.00 O ATOM 529 CB ASP A 37 -0.461 1.884 -11.266 1.00 0.00 C ATOM 530 CG ASP A 37 0.168 2.633 -12.424 1.00 0.00 C ATOM 531 OD1 ASP A 37 1.201 3.300 -12.208 1.00 0.00 O ATOM 532 OD2 ASP A 37 -0.372 2.550 -13.547 1.00 0.00 O ATOM 0 H ASP A 37 -1.244 -0.560 -10.949 1.00 0.00 H new ATOM 0 HA ASP A 37 1.365 0.751 -11.300 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -1.436 1.503 -11.570 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -0.632 2.575 -10.440 1.00 0.00 H new ATOM 537 N THR A 38 0.866 -0.283 -8.622 1.00 0.00 N ATOM 538 CA THR A 38 1.121 -0.296 -7.187 1.00 0.00 C ATOM 539 C THR A 38 2.612 -0.191 -6.892 1.00 0.00 C ATOM 540 O THR A 38 3.420 -0.938 -7.445 1.00 0.00 O ATOM 541 CB THR A 38 0.568 -1.576 -6.529 1.00 0.00 C ATOM 542 OG1 THR A 38 0.382 -2.593 -7.519 1.00 0.00 O ATOM 543 CG2 THR A 38 -0.752 -1.296 -5.827 1.00 0.00 C ATOM 0 H THR A 38 0.857 -1.205 -9.057 1.00 0.00 H new ATOM 0 HA THR A 38 0.609 0.570 -6.768 1.00 0.00 H new ATOM 0 HB THR A 38 1.289 -1.919 -5.787 1.00 0.00 H new ATOM 0 HG1 THR A 38 -0.561 -2.623 -7.784 1.00 0.00 H new ATOM 0 HG21 THR A 38 -1.123 -2.214 -5.370 1.00 0.00 H new ATOM 0 HG22 THR A 38 -0.601 -0.542 -5.055 1.00 0.00 H new ATOM 0 HG23 THR A 38 -1.480 -0.932 -6.552 1.00 0.00 H new ATOM 551 N THR A 39 2.974 0.742 -6.017 1.00 0.00 N ATOM 552 CA THR A 39 4.370 0.946 -5.649 1.00 0.00 C ATOM 553 C THR A 39 4.668 0.354 -4.276 1.00 0.00 C ATOM 554 O THR A 39 3.900 0.534 -3.331 1.00 0.00 O ATOM 555 CB THR A 39 4.735 2.442 -5.641 1.00 0.00 C ATOM 556 OG1 THR A 39 3.902 3.146 -4.712 1.00 0.00 O ATOM 557 CG2 THR A 39 4.578 3.046 -7.028 1.00 0.00 C ATOM 0 H THR A 39 2.319 1.369 -5.550 1.00 0.00 H new ATOM 0 HA THR A 39 4.974 0.436 -6.400 1.00 0.00 H new ATOM 0 HB THR A 39 5.778 2.536 -5.337 1.00 0.00 H new ATOM 0 HG1 THR A 39 4.450 3.486 -3.974 1.00 0.00 H new ATOM 0 HG21 THR A 39 4.842 4.103 -6.996 1.00 0.00 H new ATOM 0 HG22 THR A 39 5.236 2.529 -7.727 1.00 0.00 H new ATOM 0 HG23 THR A 39 3.544 2.940 -7.356 1.00 0.00 H new ATOM 565 N PHE A 40 5.789 -0.352 -4.173 1.00 0.00 N ATOM 566 CA PHE A 40 6.190 -0.971 -2.914 1.00 0.00 C ATOM 567 C PHE A 40 7.441 -0.301 -2.353 1.00 0.00 C ATOM 568 O PHE A 40 8.375 0.007 -3.091 1.00 0.00 O ATOM 569 CB PHE A 40 6.445 -2.466 -3.116 1.00 0.00 C ATOM 570 CG PHE A 40 5.293 -3.190 -3.754 1.00 0.00 C ATOM 571 CD1 PHE A 40 4.956 -2.953 -5.077 1.00 0.00 C ATOM 572 CD2 PHE A 40 4.548 -4.107 -3.030 1.00 0.00 C ATOM 573 CE1 PHE A 40 3.897 -3.618 -5.666 1.00 0.00 C ATOM 574 CE2 PHE A 40 3.489 -4.776 -3.614 1.00 0.00 C ATOM 575 CZ PHE A 40 3.162 -4.530 -4.934 1.00 0.00 C ATOM 0 H PHE A 40 6.436 -0.510 -4.946 1.00 0.00 H new ATOM 0 HA PHE A 40 5.378 -0.841 -2.198 1.00 0.00 H new ATOM 0 HB2 PHE A 40 7.333 -2.595 -3.736 1.00 0.00 H new ATOM 0 HB3 PHE A 40 6.661 -2.923 -2.150 1.00 0.00 H new ATOM 0 HD1 PHE A 40 5.527 -2.241 -5.654 1.00 0.00 H new ATOM 0 HD2 PHE A 40 4.798 -4.301 -1.997 1.00 0.00 H new ATOM 0 HE1 PHE A 40 3.644 -3.425 -6.698 1.00 0.00 H new ATOM 0 HE2 PHE A 40 2.918 -5.490 -3.040 1.00 0.00 H new ATOM 0 HZ PHE A 40 2.334 -5.050 -5.392 1.00 0.00 H new ATOM 585 N GLN A 41 7.448 -0.080 -1.043 1.00 0.00 N ATOM 586 CA GLN A 41 8.582 0.553 -0.382 1.00 0.00 C ATOM 587 C GLN A 41 9.050 -0.274 0.810 1.00 0.00 C ATOM 588 O GLN A 41 8.405 -0.291 1.859 1.00 0.00 O ATOM 589 CB GLN A 41 8.209 1.964 0.077 1.00 0.00 C ATOM 590 CG GLN A 41 8.661 3.055 -0.881 1.00 0.00 C ATOM 591 CD GLN A 41 9.361 4.199 -0.175 1.00 0.00 C ATOM 592 OE1 GLN A 41 10.585 4.324 -0.236 1.00 0.00 O ATOM 593 NE2 GLN A 41 8.589 5.041 0.501 1.00 0.00 N ATOM 0 H GLN A 41 6.681 -0.330 -0.419 1.00 0.00 H new ATOM 0 HA GLN A 41 9.399 0.615 -1.100 1.00 0.00 H new ATOM 0 HB2 GLN A 41 7.127 2.024 0.198 1.00 0.00 H new ATOM 0 HB3 GLN A 41 8.650 2.147 1.057 1.00 0.00 H new ATOM 0 HG2 GLN A 41 9.334 2.625 -1.623 1.00 0.00 H new ATOM 0 HG3 GLN A 41 7.796 3.441 -1.420 1.00 0.00 H new ATOM 0 HE21 GLN A 41 7.579 4.900 0.525 1.00 0.00 H new ATOM 0 HE22 GLN A 41 9.006 5.829 0.996 1.00 0.00 H new ATOM 602 N TYR A 42 10.176 -0.960 0.643 1.00 0.00 N ATOM 603 CA TYR A 42 10.729 -1.792 1.705 1.00 0.00 C ATOM 604 C TYR A 42 11.689 -0.993 2.579 1.00 0.00 C ATOM 605 O TYR A 42 12.729 -0.527 2.114 1.00 0.00 O ATOM 606 CB TYR A 42 11.450 -3.003 1.108 1.00 0.00 C ATOM 607 CG TYR A 42 10.517 -4.018 0.488 1.00 0.00 C ATOM 608 CD1 TYR A 42 9.958 -5.035 1.252 1.00 0.00 C ATOM 609 CD2 TYR A 42 10.195 -3.959 -0.862 1.00 0.00 C ATOM 610 CE1 TYR A 42 9.107 -5.966 0.689 1.00 0.00 C ATOM 611 CE2 TYR A 42 9.343 -4.885 -1.434 1.00 0.00 C ATOM 612 CZ TYR A 42 8.802 -5.886 -0.654 1.00 0.00 C ATOM 613 OH TYR A 42 7.953 -6.811 -1.220 1.00 0.00 O ATOM 0 H TYR A 42 10.723 -0.956 -0.218 1.00 0.00 H new ATOM 0 HA TYR A 42 9.905 -2.139 2.328 1.00 0.00 H new ATOM 0 HB2 TYR A 42 12.154 -2.659 0.350 1.00 0.00 H new ATOM 0 HB3 TYR A 42 12.034 -3.489 1.889 1.00 0.00 H new ATOM 0 HD1 TYR A 42 10.193 -5.099 2.304 1.00 0.00 H new ATOM 0 HD2 TYR A 42 10.617 -3.177 -1.475 1.00 0.00 H new ATOM 0 HE1 TYR A 42 8.683 -6.752 1.297 1.00 0.00 H new ATOM 0 HE2 TYR A 42 9.102 -4.825 -2.485 1.00 0.00 H new ATOM 0 HH TYR A 42 7.302 -7.110 -0.551 1.00 0.00 H new ATOM 623 N PHE A 43 11.333 -0.839 3.850 1.00 0.00 N ATOM 624 CA PHE A 43 12.163 -0.096 4.792 1.00 0.00 C ATOM 625 C PHE A 43 13.008 -1.044 5.637 1.00 0.00 C ATOM 626 O PHE A 43 12.526 -1.626 6.609 1.00 0.00 O ATOM 627 CB PHE A 43 11.288 0.772 5.699 1.00 0.00 C ATOM 628 CG PHE A 43 10.276 1.591 4.951 1.00 0.00 C ATOM 629 CD1 PHE A 43 10.626 2.254 3.786 1.00 0.00 C ATOM 630 CD2 PHE A 43 8.974 1.699 5.413 1.00 0.00 C ATOM 631 CE1 PHE A 43 9.697 3.008 3.095 1.00 0.00 C ATOM 632 CE2 PHE A 43 8.041 2.452 4.726 1.00 0.00 C ATOM 633 CZ PHE A 43 8.402 3.108 3.566 1.00 0.00 C ATOM 0 H PHE A 43 10.476 -1.219 4.252 1.00 0.00 H new ATOM 0 HA PHE A 43 12.832 0.547 4.220 1.00 0.00 H new ATOM 0 HB2 PHE A 43 10.769 0.131 6.412 1.00 0.00 H new ATOM 0 HB3 PHE A 43 11.928 1.439 6.277 1.00 0.00 H new ATOM 0 HD1 PHE A 43 11.637 2.181 3.413 1.00 0.00 H new ATOM 0 HD2 PHE A 43 8.685 1.189 6.320 1.00 0.00 H new ATOM 0 HE1 PHE A 43 9.983 3.519 2.187 1.00 0.00 H new ATOM 0 HE2 PHE A 43 7.029 2.527 5.096 1.00 0.00 H new ATOM 0 HZ PHE A 43 7.674 3.698 3.028 1.00 0.00 H new ATOM 643 N LYS A 44 14.273 -1.195 5.259 1.00 0.00 N ATOM 644 CA LYS A 44 15.188 -2.072 5.980 1.00 0.00 C ATOM 645 C LYS A 44 15.563 -1.472 7.333 1.00 0.00 C ATOM 646 O LYS A 44 16.283 -2.089 8.118 1.00 0.00 O ATOM 647 CB LYS A 44 16.451 -2.317 5.152 1.00 0.00 C ATOM 648 CG LYS A 44 16.626 -3.765 4.725 1.00 0.00 C ATOM 649 CD LYS A 44 17.726 -4.451 5.517 1.00 0.00 C ATOM 650 CE LYS A 44 18.944 -4.733 4.652 1.00 0.00 C ATOM 651 NZ LYS A 44 19.823 -3.538 4.525 1.00 0.00 N ATOM 0 H LYS A 44 14.688 -0.721 4.457 1.00 0.00 H new ATOM 0 HA LYS A 44 14.683 -3.023 6.150 1.00 0.00 H new ATOM 0 HB2 LYS A 44 16.421 -1.686 4.264 1.00 0.00 H new ATOM 0 HB3 LYS A 44 17.321 -2.010 5.732 1.00 0.00 H new ATOM 0 HG2 LYS A 44 15.688 -4.302 4.864 1.00 0.00 H new ATOM 0 HG3 LYS A 44 16.863 -3.806 3.662 1.00 0.00 H new ATOM 0 HD2 LYS A 44 18.015 -3.823 6.360 1.00 0.00 H new ATOM 0 HD3 LYS A 44 17.348 -5.386 5.931 1.00 0.00 H new ATOM 0 HE2 LYS A 44 19.512 -5.558 5.083 1.00 0.00 H new ATOM 0 HE3 LYS A 44 18.620 -5.052 3.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 20.642 -3.771 3.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 19.289 -2.759 4.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 20.153 -3.248 5.468 1.00 0.00 H new ATOM 665 N SER A 45 15.069 -0.266 7.598 1.00 0.00 N ATOM 666 CA SER A 45 15.355 0.417 8.854 1.00 0.00 C ATOM 667 C SER A 45 14.216 0.221 9.850 1.00 0.00 C ATOM 668 O SER A 45 14.430 0.208 11.061 1.00 0.00 O ATOM 669 CB SER A 45 15.580 1.910 8.606 1.00 0.00 C ATOM 670 OG SER A 45 16.769 2.131 7.867 1.00 0.00 O ATOM 0 H SER A 45 14.469 0.257 6.960 1.00 0.00 H new ATOM 0 HA SER A 45 16.262 -0.015 9.277 1.00 0.00 H new ATOM 0 HB2 SER A 45 14.729 2.324 8.065 1.00 0.00 H new ATOM 0 HB3 SER A 45 15.638 2.436 9.559 1.00 0.00 H new ATOM 0 HG SER A 45 16.889 3.092 7.720 1.00 0.00 H new ATOM 676 N PHE A 46 13.002 0.069 9.329 1.00 0.00 N ATOM 677 CA PHE A 46 11.827 -0.125 10.170 1.00 0.00 C ATOM 678 C PHE A 46 11.143 -1.451 9.852 1.00 0.00 C ATOM 679 O PHE A 46 9.986 -1.668 10.212 1.00 0.00 O ATOM 680 CB PHE A 46 10.842 1.029 9.981 1.00 0.00 C ATOM 681 CG PHE A 46 11.464 2.384 10.160 1.00 0.00 C ATOM 682 CD1 PHE A 46 12.110 3.009 9.106 1.00 0.00 C ATOM 683 CD2 PHE A 46 11.403 3.033 11.383 1.00 0.00 C ATOM 684 CE1 PHE A 46 12.684 4.255 9.268 1.00 0.00 C ATOM 685 CE2 PHE A 46 11.975 4.280 11.551 1.00 0.00 C ATOM 686 CZ PHE A 46 12.616 4.893 10.491 1.00 0.00 C ATOM 0 H PHE A 46 12.807 0.077 8.328 1.00 0.00 H new ATOM 0 HA PHE A 46 12.155 -0.146 11.209 1.00 0.00 H new ATOM 0 HB2 PHE A 46 10.408 0.966 8.983 1.00 0.00 H new ATOM 0 HB3 PHE A 46 10.023 0.917 10.692 1.00 0.00 H new ATOM 0 HD1 PHE A 46 12.166 2.516 8.146 1.00 0.00 H new ATOM 0 HD2 PHE A 46 10.903 2.559 12.214 1.00 0.00 H new ATOM 0 HE1 PHE A 46 13.186 4.730 8.438 1.00 0.00 H new ATOM 0 HE2 PHE A 46 11.921 4.775 12.509 1.00 0.00 H new ATOM 0 HZ PHE A 46 13.062 5.868 10.619 1.00 0.00 H new ATOM 696 N LYS A 47 11.866 -2.335 9.172 1.00 0.00 N ATOM 697 CA LYS A 47 11.331 -3.640 8.803 1.00 0.00 C ATOM 698 C LYS A 47 9.868 -3.530 8.384 1.00 0.00 C ATOM 699 O LYS A 47 9.089 -4.466 8.564 1.00 0.00 O ATOM 700 CB LYS A 47 11.464 -4.618 9.973 1.00 0.00 C ATOM 701 CG LYS A 47 12.890 -5.079 10.221 1.00 0.00 C ATOM 702 CD LYS A 47 13.214 -6.339 9.435 1.00 0.00 C ATOM 703 CE LYS A 47 14.328 -7.136 10.095 1.00 0.00 C ATOM 704 NZ LYS A 47 13.813 -8.018 11.177 1.00 0.00 N ATOM 0 H LYS A 47 12.825 -2.171 8.865 1.00 0.00 H new ATOM 0 HA LYS A 47 11.907 -4.014 7.956 1.00 0.00 H new ATOM 0 HB2 LYS A 47 11.082 -4.144 10.877 1.00 0.00 H new ATOM 0 HB3 LYS A 47 10.838 -5.489 9.781 1.00 0.00 H new ATOM 0 HG2 LYS A 47 13.583 -4.286 9.941 1.00 0.00 H new ATOM 0 HG3 LYS A 47 13.033 -5.266 11.285 1.00 0.00 H new ATOM 0 HD2 LYS A 47 12.321 -6.958 9.354 1.00 0.00 H new ATOM 0 HD3 LYS A 47 13.509 -6.071 8.421 1.00 0.00 H new ATOM 0 HE2 LYS A 47 14.835 -7.741 9.344 1.00 0.00 H new ATOM 0 HE3 LYS A 47 15.069 -6.451 10.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 14.603 -8.544 11.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 13.351 -7.439 11.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 13.124 -8.689 10.780 1.00 0.00 H new ATOM 718 N ARG A 48 9.503 -2.382 7.823 1.00 0.00 N ATOM 719 CA ARG A 48 8.135 -2.151 7.378 1.00 0.00 C ATOM 720 C ARG A 48 8.060 -2.104 5.854 1.00 0.00 C ATOM 721 O ARG A 48 9.078 -1.975 5.175 1.00 0.00 O ATOM 722 CB ARG A 48 7.599 -0.844 7.966 1.00 0.00 C ATOM 723 CG ARG A 48 6.808 -1.034 9.250 1.00 0.00 C ATOM 724 CD ARG A 48 6.180 0.270 9.715 1.00 0.00 C ATOM 725 NE ARG A 48 7.182 1.227 10.176 1.00 0.00 N ATOM 726 CZ ARG A 48 6.964 2.534 10.265 1.00 0.00 C ATOM 727 NH1 ARG A 48 5.785 3.038 9.927 1.00 0.00 N ATOM 728 NH2 ARG A 48 7.926 3.341 10.695 1.00 0.00 N ATOM 0 H ARG A 48 10.136 -1.598 7.666 1.00 0.00 H new ATOM 0 HA ARG A 48 7.520 -2.979 7.730 1.00 0.00 H new ATOM 0 HB2 ARG A 48 8.435 -0.173 8.160 1.00 0.00 H new ATOM 0 HB3 ARG A 48 6.964 -0.356 7.227 1.00 0.00 H new ATOM 0 HG2 ARG A 48 6.028 -1.779 9.091 1.00 0.00 H new ATOM 0 HG3 ARG A 48 7.464 -1.421 10.029 1.00 0.00 H new ATOM 0 HD2 ARG A 48 5.609 0.709 8.897 1.00 0.00 H new ATOM 0 HD3 ARG A 48 5.476 0.066 10.522 1.00 0.00 H new ATOM 0 HE ARG A 48 8.100 0.872 10.444 1.00 0.00 H new ATOM 0 HH11 ARG A 48 5.042 2.421 9.598 1.00 0.00 H new ATOM 0 HH12 ARG A 48 5.621 4.042 9.997 1.00 0.00 H new ATOM 0 HH21 ARG A 48 8.834 2.958 10.958 1.00 0.00 H new ATOM 0 HH22 ARG A 48 7.757 4.345 10.763 1.00 0.00 H new ATOM 742 N VAL A 49 6.845 -2.210 5.323 1.00 0.00 N ATOM 743 CA VAL A 49 6.637 -2.179 3.880 1.00 0.00 C ATOM 744 C VAL A 49 5.412 -1.346 3.520 1.00 0.00 C ATOM 745 O VAL A 49 4.298 -1.641 3.955 1.00 0.00 O ATOM 746 CB VAL A 49 6.465 -3.599 3.308 1.00 0.00 C ATOM 747 CG1 VAL A 49 6.374 -3.555 1.789 1.00 0.00 C ATOM 748 CG2 VAL A 49 7.609 -4.496 3.756 1.00 0.00 C ATOM 0 H VAL A 49 5.991 -2.318 5.870 1.00 0.00 H new ATOM 0 HA VAL A 49 7.525 -1.723 3.441 1.00 0.00 H new ATOM 0 HB VAL A 49 5.534 -4.017 3.692 1.00 0.00 H new ATOM 0 HG11 VAL A 49 6.253 -4.567 1.402 1.00 0.00 H new ATOM 0 HG12 VAL A 49 5.518 -2.948 1.493 1.00 0.00 H new ATOM 0 HG13 VAL A 49 7.286 -3.118 1.382 1.00 0.00 H new ATOM 0 HG21 VAL A 49 7.471 -5.495 3.343 1.00 0.00 H new ATOM 0 HG22 VAL A 49 8.554 -4.084 3.402 1.00 0.00 H new ATOM 0 HG23 VAL A 49 7.622 -4.552 4.844 1.00 0.00 H new ATOM 758 N ARG A 50 5.626 -0.304 2.723 1.00 0.00 N ATOM 759 CA ARG A 50 4.539 0.574 2.304 1.00 0.00 C ATOM 760 C ARG A 50 4.110 0.263 0.873 1.00 0.00 C ATOM 761 O ARG A 50 4.911 0.349 -0.058 1.00 0.00 O ATOM 762 CB ARG A 50 4.967 2.038 2.413 1.00 0.00 C ATOM 763 CG ARG A 50 3.981 3.008 1.783 1.00 0.00 C ATOM 764 CD ARG A 50 3.243 3.815 2.840 1.00 0.00 C ATOM 765 NE ARG A 50 2.982 5.183 2.400 1.00 0.00 N ATOM 766 CZ ARG A 50 3.936 6.084 2.193 1.00 0.00 C ATOM 767 NH1 ARG A 50 5.208 5.762 2.385 1.00 0.00 N ATOM 768 NH2 ARG A 50 3.620 7.309 1.794 1.00 0.00 N ATOM 0 H ARG A 50 6.542 -0.047 2.354 1.00 0.00 H new ATOM 0 HA ARG A 50 3.690 0.401 2.965 1.00 0.00 H new ATOM 0 HB2 ARG A 50 5.094 2.294 3.465 1.00 0.00 H new ATOM 0 HB3 ARG A 50 5.939 2.160 1.936 1.00 0.00 H new ATOM 0 HG2 ARG A 50 4.511 3.684 1.112 1.00 0.00 H new ATOM 0 HG3 ARG A 50 3.262 2.456 1.177 1.00 0.00 H new ATOM 0 HD2 ARG A 50 2.299 3.324 3.077 1.00 0.00 H new ATOM 0 HD3 ARG A 50 3.831 3.835 3.757 1.00 0.00 H new ATOM 0 HE ARG A 50 2.014 5.462 2.243 1.00 0.00 H new ATOM 0 HH11 ARG A 50 5.455 4.821 2.692 1.00 0.00 H new ATOM 0 HH12 ARG A 50 5.939 6.455 2.226 1.00 0.00 H new ATOM 0 HH21 ARG A 50 2.643 7.561 1.646 1.00 0.00 H new ATOM 0 HH22 ARG A 50 4.354 7.999 1.636 1.00 0.00 H new ATOM 782 N ILE A 51 2.842 -0.100 0.706 1.00 0.00 N ATOM 783 CA ILE A 51 2.308 -0.422 -0.611 1.00 0.00 C ATOM 784 C ILE A 51 1.292 0.621 -1.063 1.00 0.00 C ATOM 785 O ILE A 51 0.167 0.660 -0.569 1.00 0.00 O ATOM 786 CB ILE A 51 1.641 -1.812 -0.622 1.00 0.00 C ATOM 787 CG1 ILE A 51 2.629 -2.880 -0.150 1.00 0.00 C ATOM 788 CG2 ILE A 51 1.124 -2.138 -2.016 1.00 0.00 C ATOM 789 CD1 ILE A 51 2.213 -3.560 1.136 1.00 0.00 C ATOM 0 H ILE A 51 2.166 -0.178 1.466 1.00 0.00 H new ATOM 0 HA ILE A 51 3.151 -0.426 -1.302 1.00 0.00 H new ATOM 0 HB ILE A 51 0.795 -1.800 0.065 1.00 0.00 H new ATOM 0 HG12 ILE A 51 2.739 -3.633 -0.931 1.00 0.00 H new ATOM 0 HG13 ILE A 51 3.608 -2.422 -0.009 1.00 0.00 H new ATOM 0 HG21 ILE A 51 0.656 -3.122 -2.009 1.00 0.00 H new ATOM 0 HG22 ILE A 51 0.391 -1.389 -2.317 1.00 0.00 H new ATOM 0 HG23 ILE A 51 1.955 -2.136 -2.722 1.00 0.00 H new ATOM 0 HD11 ILE A 51 2.959 -4.305 1.411 1.00 0.00 H new ATOM 0 HD12 ILE A 51 2.131 -2.818 1.930 1.00 0.00 H new ATOM 0 HD13 ILE A 51 1.249 -4.048 0.994 1.00 0.00 H new ATOM 801 N ASN A 52 1.698 1.464 -2.006 1.00 0.00 N ATOM 802 CA ASN A 52 0.823 2.508 -2.526 1.00 0.00 C ATOM 803 C ASN A 52 0.035 2.006 -3.733 1.00 0.00 C ATOM 804 O ASN A 52 0.611 1.510 -4.701 1.00 0.00 O ATOM 805 CB ASN A 52 1.640 3.742 -2.914 1.00 0.00 C ATOM 806 CG ASN A 52 1.253 4.968 -2.110 1.00 0.00 C ATOM 807 OD1 ASN A 52 0.241 5.613 -2.388 1.00 0.00 O ATOM 808 ND2 ASN A 52 2.059 5.296 -1.106 1.00 0.00 N ATOM 0 H ASN A 52 2.627 1.445 -2.426 1.00 0.00 H new ATOM 0 HA ASN A 52 0.118 2.780 -1.741 1.00 0.00 H new ATOM 0 HB2 ASN A 52 2.700 3.534 -2.766 1.00 0.00 H new ATOM 0 HB3 ASN A 52 1.500 3.948 -3.975 1.00 0.00 H new ATOM 0 HD21 ASN A 52 1.850 6.111 -0.530 1.00 0.00 H new ATOM 0 HD22 ASN A 52 2.887 4.733 -0.912 1.00 0.00 H new ATOM 815 N PHE A 53 -1.285 2.140 -3.668 1.00 0.00 N ATOM 816 CA PHE A 53 -2.153 1.700 -4.755 1.00 0.00 C ATOM 817 C PHE A 53 -2.646 2.890 -5.573 1.00 0.00 C ATOM 818 O PHE A 53 -2.287 4.036 -5.301 1.00 0.00 O ATOM 819 CB PHE A 53 -3.346 0.919 -4.200 1.00 0.00 C ATOM 820 CG PHE A 53 -2.952 -0.222 -3.306 1.00 0.00 C ATOM 821 CD1 PHE A 53 -2.334 0.016 -2.088 1.00 0.00 C ATOM 822 CD2 PHE A 53 -3.198 -1.532 -3.683 1.00 0.00 C ATOM 823 CE1 PHE A 53 -1.971 -1.033 -1.265 1.00 0.00 C ATOM 824 CE2 PHE A 53 -2.837 -2.584 -2.864 1.00 0.00 C ATOM 825 CZ PHE A 53 -2.223 -2.334 -1.653 1.00 0.00 C ATOM 0 H PHE A 53 -1.778 2.550 -2.874 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.573 1.048 -5.408 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -3.989 1.601 -3.644 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -3.935 0.532 -5.031 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -2.134 1.031 -1.779 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -3.678 -1.733 -4.629 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -1.490 -0.835 -0.318 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -3.035 -3.601 -3.170 1.00 0.00 H new ATOM 0 HZ PHE A 53 -1.940 -3.155 -1.010 1.00 0.00 H new ATOM 835 N SER A 54 -3.470 2.610 -6.577 1.00 0.00 N ATOM 836 CA SER A 54 -4.009 3.656 -7.438 1.00 0.00 C ATOM 837 C SER A 54 -5.438 4.009 -7.034 1.00 0.00 C ATOM 838 O SER A 54 -6.094 4.824 -7.682 1.00 0.00 O ATOM 839 CB SER A 54 -3.977 3.209 -8.901 1.00 0.00 C ATOM 840 OG SER A 54 -4.325 4.274 -9.767 1.00 0.00 O ATOM 0 H SER A 54 -3.779 1.667 -6.814 1.00 0.00 H new ATOM 0 HA SER A 54 -3.387 4.544 -7.323 1.00 0.00 H new ATOM 0 HB2 SER A 54 -2.981 2.843 -9.151 1.00 0.00 H new ATOM 0 HB3 SER A 54 -4.667 2.378 -9.046 1.00 0.00 H new ATOM 0 HG SER A 54 -5.098 4.754 -9.402 1.00 0.00 H new ATOM 846 N ASN A 55 -5.913 3.387 -5.959 1.00 0.00 N ATOM 847 CA ASN A 55 -7.263 3.635 -5.468 1.00 0.00 C ATOM 848 C ASN A 55 -7.511 2.894 -4.158 1.00 0.00 C ATOM 849 O ASN A 55 -6.932 1.839 -3.895 1.00 0.00 O ATOM 850 CB ASN A 55 -8.295 3.206 -6.514 1.00 0.00 C ATOM 851 CG ASN A 55 -7.713 2.261 -7.546 1.00 0.00 C ATOM 852 OD1 ASN A 55 -6.925 1.295 -7.087 1.00 0.00 O flip ATOM 853 ND2 ASN A 55 -7.968 2.397 -8.743 1.00 0.00 N flip ATOM 0 H ASN A 55 -5.383 2.708 -5.412 1.00 0.00 H new ATOM 0 HA ASN A 55 -7.365 4.704 -5.284 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -9.135 2.722 -6.015 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -8.689 4.090 -7.016 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -8.579 3.153 -9.052 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -7.569 1.753 -9.426 1.00 0.00 H new ATOM 860 N PRO A 56 -8.391 3.455 -3.317 1.00 0.00 N ATOM 861 CA PRO A 56 -8.735 2.864 -2.021 1.00 0.00 C ATOM 862 C PRO A 56 -9.547 1.580 -2.167 1.00 0.00 C ATOM 863 O PRO A 56 -9.665 0.798 -1.223 1.00 0.00 O ATOM 864 CB PRO A 56 -9.576 3.952 -1.346 1.00 0.00 C ATOM 865 CG PRO A 56 -10.150 4.741 -2.472 1.00 0.00 C ATOM 866 CD PRO A 56 -9.118 4.712 -3.566 1.00 0.00 C ATOM 0 HA PRO A 56 -7.848 2.579 -1.456 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -10.361 3.518 -0.726 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -8.965 4.578 -0.695 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -11.091 4.309 -2.812 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -10.363 5.764 -2.163 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -9.579 4.720 -4.554 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -8.455 5.576 -3.516 1.00 0.00 H new ATOM 874 N LEU A 57 -10.103 1.369 -3.355 1.00 0.00 N ATOM 875 CA LEU A 57 -10.902 0.180 -3.625 1.00 0.00 C ATOM 876 C LEU A 57 -10.053 -1.083 -3.513 1.00 0.00 C ATOM 877 O LEU A 57 -10.341 -1.968 -2.707 1.00 0.00 O ATOM 878 CB LEU A 57 -11.527 0.266 -5.018 1.00 0.00 C ATOM 879 CG LEU A 57 -12.241 1.576 -5.353 1.00 0.00 C ATOM 880 CD1 LEU A 57 -11.832 2.068 -6.732 1.00 0.00 C ATOM 881 CD2 LEU A 57 -13.750 1.396 -5.273 1.00 0.00 C ATOM 0 H LEU A 57 -10.015 2.006 -4.146 1.00 0.00 H new ATOM 0 HA LEU A 57 -11.696 0.130 -2.880 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -10.742 0.104 -5.757 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -12.240 -0.551 -5.126 1.00 0.00 H new ATOM 0 HG LEU A 57 -11.946 2.327 -4.620 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -12.350 3.001 -6.954 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -10.755 2.236 -6.754 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -12.097 1.320 -7.479 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -14.242 2.338 -5.514 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -14.063 0.631 -5.983 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -14.027 1.090 -4.264 1.00 0.00 H new ATOM 893 N SER A 58 -9.004 -1.160 -4.326 1.00 0.00 N ATOM 894 CA SER A 58 -8.114 -2.315 -4.320 1.00 0.00 C ATOM 895 C SER A 58 -7.498 -2.519 -2.939 1.00 0.00 C ATOM 896 O SER A 58 -7.553 -3.613 -2.379 1.00 0.00 O ATOM 897 CB SER A 58 -7.009 -2.138 -5.364 1.00 0.00 C ATOM 898 OG SER A 58 -6.979 -3.233 -6.263 1.00 0.00 O ATOM 0 H SER A 58 -8.750 -0.436 -4.998 1.00 0.00 H new ATOM 0 HA SER A 58 -8.702 -3.198 -4.570 1.00 0.00 H new ATOM 0 HB2 SER A 58 -7.171 -1.213 -5.917 1.00 0.00 H new ATOM 0 HB3 SER A 58 -6.044 -2.046 -4.865 1.00 0.00 H new ATOM 0 HG SER A 58 -6.266 -3.096 -6.921 1.00 0.00 H new ATOM 904 N ALA A 59 -6.912 -1.456 -2.398 1.00 0.00 N ATOM 905 CA ALA A 59 -6.288 -1.516 -1.082 1.00 0.00 C ATOM 906 C ALA A 59 -7.142 -2.315 -0.104 1.00 0.00 C ATOM 907 O ALA A 59 -6.622 -2.973 0.797 1.00 0.00 O ATOM 908 CB ALA A 59 -6.043 -0.112 -0.548 1.00 0.00 C ATOM 0 H ALA A 59 -6.856 -0.544 -2.850 1.00 0.00 H new ATOM 0 HA ALA A 59 -5.330 -2.025 -1.186 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -5.577 -0.173 0.435 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -5.384 0.427 -1.229 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -6.992 0.417 -0.467 1.00 0.00 H new ATOM 914 N ALA A 60 -8.458 -2.252 -0.287 1.00 0.00 N ATOM 915 CA ALA A 60 -9.384 -2.970 0.579 1.00 0.00 C ATOM 916 C ALA A 60 -9.325 -4.472 0.321 1.00 0.00 C ATOM 917 O ALA A 60 -8.935 -5.246 1.194 1.00 0.00 O ATOM 918 CB ALA A 60 -10.801 -2.453 0.378 1.00 0.00 C ATOM 0 H ALA A 60 -8.905 -1.711 -1.027 1.00 0.00 H new ATOM 0 HA ALA A 60 -9.087 -2.794 1.613 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -11.483 -2.998 1.031 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -10.838 -1.391 0.619 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -11.098 -2.600 -0.660 1.00 0.00 H new ATOM 924 N ASP A 61 -9.716 -4.876 -0.884 1.00 0.00 N ATOM 925 CA ASP A 61 -9.707 -6.285 -1.257 1.00 0.00 C ATOM 926 C ASP A 61 -8.392 -6.945 -0.856 1.00 0.00 C ATOM 927 O ASP A 61 -8.353 -8.136 -0.548 1.00 0.00 O ATOM 928 CB ASP A 61 -9.930 -6.438 -2.762 1.00 0.00 C ATOM 929 CG ASP A 61 -10.855 -7.592 -3.097 1.00 0.00 C ATOM 930 OD1 ASP A 61 -12.018 -7.571 -2.642 1.00 0.00 O ATOM 931 OD2 ASP A 61 -10.415 -8.516 -3.813 1.00 0.00 O ATOM 0 H ASP A 61 -10.043 -4.247 -1.618 1.00 0.00 H new ATOM 0 HA ASP A 61 -10.519 -6.781 -0.725 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -10.349 -5.514 -3.160 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -8.970 -6.591 -3.255 1.00 0.00 H new ATOM 936 N ALA A 62 -7.317 -6.164 -0.863 1.00 0.00 N ATOM 937 CA ALA A 62 -6.000 -6.673 -0.499 1.00 0.00 C ATOM 938 C ALA A 62 -5.950 -7.060 0.975 1.00 0.00 C ATOM 939 O ALA A 62 -5.516 -8.159 1.323 1.00 0.00 O ATOM 940 CB ALA A 62 -4.931 -5.637 -0.811 1.00 0.00 C ATOM 0 H ALA A 62 -7.332 -5.176 -1.117 1.00 0.00 H new ATOM 0 HA ALA A 62 -5.807 -7.569 -1.089 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -3.952 -6.029 -0.535 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -4.943 -5.411 -1.877 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -5.130 -4.727 -0.245 1.00 0.00 H new ATOM 946 N ARG A 63 -6.396 -6.152 1.837 1.00 0.00 N ATOM 947 CA ARG A 63 -6.399 -6.400 3.274 1.00 0.00 C ATOM 948 C ARG A 63 -7.078 -7.729 3.595 1.00 0.00 C ATOM 949 O ARG A 63 -6.521 -8.567 4.304 1.00 0.00 O ATOM 950 CB ARG A 63 -7.111 -5.261 4.007 1.00 0.00 C ATOM 951 CG ARG A 63 -6.664 -5.093 5.451 1.00 0.00 C ATOM 952 CD ARG A 63 -6.994 -3.706 5.978 1.00 0.00 C ATOM 953 NE ARG A 63 -8.396 -3.587 6.366 1.00 0.00 N ATOM 954 CZ ARG A 63 -8.887 -4.067 7.504 1.00 0.00 C ATOM 955 NH1 ARG A 63 -8.093 -4.693 8.361 1.00 0.00 N ATOM 956 NH2 ARG A 63 -10.175 -3.918 7.787 1.00 0.00 N ATOM 0 H ARG A 63 -6.760 -5.239 1.566 1.00 0.00 H new ATOM 0 HA ARG A 63 -5.364 -6.450 3.612 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -6.935 -4.329 3.470 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -8.186 -5.443 3.987 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -7.149 -5.845 6.073 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -5.590 -5.265 5.523 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -6.360 -3.484 6.837 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -6.765 -2.964 5.213 1.00 0.00 H new ATOM 0 HE ARG A 63 -9.034 -3.109 5.729 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -7.102 -4.807 8.148 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -8.473 -5.060 9.233 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -10.789 -3.435 7.131 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -10.551 -4.287 8.660 1.00 0.00 H new ATOM 970 N LEU A 64 -8.284 -7.913 3.070 1.00 0.00 N ATOM 971 CA LEU A 64 -9.040 -9.139 3.301 1.00 0.00 C ATOM 972 C LEU A 64 -8.281 -10.353 2.776 1.00 0.00 C ATOM 973 O LEU A 64 -8.311 -11.425 3.380 1.00 0.00 O ATOM 974 CB LEU A 64 -10.411 -9.050 2.628 1.00 0.00 C ATOM 975 CG LEU A 64 -10.515 -9.667 1.234 1.00 0.00 C ATOM 976 CD1 LEU A 64 -10.669 -11.177 1.327 1.00 0.00 C ATOM 977 CD2 LEU A 64 -11.681 -9.057 0.466 1.00 0.00 C ATOM 0 H LEU A 64 -8.760 -7.229 2.481 1.00 0.00 H new ATOM 0 HA LEU A 64 -9.177 -9.256 4.376 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -11.143 -9.535 3.274 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -10.693 -7.999 2.560 1.00 0.00 H new ATOM 0 HG LEU A 64 -9.594 -9.449 0.693 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -10.741 -11.598 0.324 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -9.803 -11.600 1.836 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -11.573 -11.417 1.887 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -11.740 -9.508 -0.525 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -12.609 -9.244 1.006 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -11.529 -7.982 0.367 1.00 0.00 H new ATOM 989 N ARG A 65 -7.600 -10.177 1.648 1.00 0.00 N ATOM 990 CA ARG A 65 -6.832 -11.258 1.042 1.00 0.00 C ATOM 991 C ARG A 65 -5.510 -11.462 1.776 1.00 0.00 C ATOM 992 O ARG A 65 -4.929 -12.549 1.739 1.00 0.00 O ATOM 993 CB ARG A 65 -6.568 -10.959 -0.435 1.00 0.00 C ATOM 994 CG ARG A 65 -7.665 -11.457 -1.362 1.00 0.00 C ATOM 995 CD ARG A 65 -7.099 -12.315 -2.482 1.00 0.00 C ATOM 996 NE ARG A 65 -8.062 -13.308 -2.951 1.00 0.00 N ATOM 997 CZ ARG A 65 -7.790 -14.214 -3.884 1.00 0.00 C ATOM 998 NH1 ARG A 65 -6.588 -14.253 -4.443 1.00 0.00 N ATOM 999 NH2 ARG A 65 -8.720 -15.083 -4.257 1.00 0.00 N ATOM 0 H ARG A 65 -7.565 -9.296 1.135 1.00 0.00 H new ATOM 0 HA ARG A 65 -7.417 -12.175 1.120 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -6.455 -9.883 -0.565 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -5.622 -11.416 -0.726 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -8.391 -12.035 -0.791 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -8.198 -10.606 -1.787 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -6.803 -11.676 -3.314 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -6.199 -12.820 -2.132 1.00 0.00 H new ATOM 0 HE ARG A 65 -8.995 -13.306 -2.539 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -5.871 -13.587 -4.157 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -6.381 -14.949 -5.159 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -9.645 -15.056 -3.828 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -8.510 -15.778 -4.973 1.00 0.00 H new ATOM 1013 N LEU A 66 -5.039 -10.413 2.440 1.00 0.00 N ATOM 1014 CA LEU A 66 -3.785 -10.476 3.181 1.00 0.00 C ATOM 1015 C LEU A 66 -4.022 -10.263 4.673 1.00 0.00 C ATOM 1016 O LEU A 66 -5.076 -10.620 5.202 1.00 0.00 O ATOM 1017 CB LEU A 66 -2.803 -9.428 2.655 1.00 0.00 C ATOM 1018 CG LEU A 66 -2.703 -9.307 1.133 1.00 0.00 C ATOM 1019 CD1 LEU A 66 -1.944 -8.048 0.747 1.00 0.00 C ATOM 1020 CD2 LEU A 66 -2.032 -10.539 0.544 1.00 0.00 C ATOM 0 H LEU A 66 -5.507 -9.508 2.480 1.00 0.00 H new ATOM 0 HA LEU A 66 -3.358 -11.469 3.037 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -3.088 -8.457 3.059 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -1.812 -9.658 3.047 1.00 0.00 H new ATOM 0 HG LEU A 66 -3.712 -9.237 0.725 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -1.883 -7.979 -0.339 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -2.466 -7.174 1.138 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -0.938 -8.087 1.165 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -1.969 -10.436 -0.539 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -1.029 -10.640 0.958 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -2.617 -11.425 0.791 1.00 0.00 H new ATOM 1032 N HIS A 67 -3.037 -9.677 5.346 1.00 0.00 N ATOM 1033 CA HIS A 67 -3.141 -9.413 6.777 1.00 0.00 C ATOM 1034 C HIS A 67 -2.760 -10.649 7.587 1.00 0.00 C ATOM 1035 O HIS A 67 -1.907 -11.435 7.175 1.00 0.00 O ATOM 1036 CB HIS A 67 -4.560 -8.971 7.134 1.00 0.00 C ATOM 1037 CG HIS A 67 -4.620 -8.037 8.303 1.00 0.00 C ATOM 1038 ND1 HIS A 67 -3.497 -7.579 8.959 1.00 0.00 N ATOM 1039 CD2 HIS A 67 -5.678 -7.472 8.932 1.00 0.00 C ATOM 1040 CE1 HIS A 67 -3.861 -6.774 9.942 1.00 0.00 C ATOM 1041 NE2 HIS A 67 -5.179 -6.693 9.947 1.00 0.00 N ATOM 0 H HIS A 67 -2.158 -9.376 4.924 1.00 0.00 H new ATOM 0 HA HIS A 67 -2.446 -8.610 7.025 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -5.009 -8.485 6.268 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -5.162 -9.853 7.353 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -6.720 -7.609 8.682 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -3.194 -6.269 10.625 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -5.736 -6.141 10.599 1.00 0.00 H new ATOM 1049 N LYS A 68 -3.399 -10.814 8.740 1.00 0.00 N ATOM 1050 CA LYS A 68 -3.129 -11.954 9.608 1.00 0.00 C ATOM 1051 C LYS A 68 -2.838 -13.206 8.787 1.00 0.00 C ATOM 1052 O LYS A 68 -2.084 -14.081 9.214 1.00 0.00 O ATOM 1053 CB LYS A 68 -4.318 -12.205 10.538 1.00 0.00 C ATOM 1054 CG LYS A 68 -4.521 -11.114 11.575 1.00 0.00 C ATOM 1055 CD LYS A 68 -5.950 -10.596 11.566 1.00 0.00 C ATOM 1056 CE LYS A 68 -6.948 -11.712 11.837 1.00 0.00 C ATOM 1057 NZ LYS A 68 -8.332 -11.189 12.007 1.00 0.00 N ATOM 0 H LYS A 68 -4.108 -10.172 9.095 1.00 0.00 H new ATOM 0 HA LYS A 68 -2.249 -11.722 10.208 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -5.224 -12.298 9.939 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -4.174 -13.157 11.048 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -4.280 -11.502 12.565 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -3.833 -10.291 11.379 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -6.061 -9.816 12.320 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -6.167 -10.139 10.600 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -6.928 -12.425 11.013 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -6.652 -12.254 12.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -8.982 -11.980 12.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -8.357 -10.528 12.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -8.625 -10.694 11.141 1.00 0.00 H new ATOM 1071 N THR A 69 -3.441 -13.287 7.605 1.00 0.00 N ATOM 1072 CA THR A 69 -3.246 -14.431 6.723 1.00 0.00 C ATOM 1073 C THR A 69 -1.834 -14.991 6.853 1.00 0.00 C ATOM 1074 O THR A 69 -0.854 -14.251 6.767 1.00 0.00 O ATOM 1075 CB THR A 69 -3.506 -14.058 5.252 1.00 0.00 C ATOM 1076 OG1 THR A 69 -2.687 -12.945 4.877 1.00 0.00 O ATOM 1077 CG2 THR A 69 -4.971 -13.713 5.031 1.00 0.00 C ATOM 0 H THR A 69 -4.069 -12.573 7.236 1.00 0.00 H new ATOM 0 HA THR A 69 -3.965 -15.191 7.028 1.00 0.00 H new ATOM 0 HB THR A 69 -3.255 -14.919 4.632 1.00 0.00 H new ATOM 0 HG1 THR A 69 -2.315 -12.527 5.681 1.00 0.00 H new ATOM 0 HG21 THR A 69 -5.130 -13.453 3.984 1.00 0.00 H new ATOM 0 HG22 THR A 69 -5.590 -14.572 5.289 1.00 0.00 H new ATOM 0 HG23 THR A 69 -5.244 -12.866 5.661 1.00 0.00 H new ATOM 1085 N GLU A 70 -1.738 -16.300 7.059 1.00 0.00 N ATOM 1086 CA GLU A 70 -0.444 -16.958 7.201 1.00 0.00 C ATOM 1087 C GLU A 70 0.353 -16.874 5.902 1.00 0.00 C ATOM 1088 O GLU A 70 0.210 -17.716 5.016 1.00 0.00 O ATOM 1089 CB GLU A 70 -0.633 -18.422 7.601 1.00 0.00 C ATOM 1090 CG GLU A 70 -0.413 -18.681 9.082 1.00 0.00 C ATOM 1091 CD GLU A 70 -0.986 -20.011 9.534 1.00 0.00 C ATOM 1092 OE1 GLU A 70 -2.227 -20.134 9.586 1.00 0.00 O ATOM 1093 OE2 GLU A 70 -0.193 -20.927 9.835 1.00 0.00 O ATOM 0 H GLU A 70 -2.540 -16.926 7.131 1.00 0.00 H new ATOM 0 HA GLU A 70 0.113 -16.444 7.984 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -1.641 -18.736 7.332 1.00 0.00 H new ATOM 0 HB3 GLU A 70 0.058 -19.039 7.026 1.00 0.00 H new ATOM 0 HG2 GLU A 70 0.656 -18.659 9.296 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -0.871 -17.878 9.659 1.00 0.00 H new ATOM 1100 N PHE A 71 1.194 -15.849 5.796 1.00 0.00 N ATOM 1101 CA PHE A 71 2.013 -15.653 4.607 1.00 0.00 C ATOM 1102 C PHE A 71 3.252 -16.542 4.647 1.00 0.00 C ATOM 1103 O PHE A 71 4.180 -16.301 5.421 1.00 0.00 O ATOM 1104 CB PHE A 71 2.430 -14.185 4.486 1.00 0.00 C ATOM 1105 CG PHE A 71 3.534 -13.955 3.494 1.00 0.00 C ATOM 1106 CD1 PHE A 71 3.253 -13.811 2.145 1.00 0.00 C ATOM 1107 CD2 PHE A 71 4.853 -13.884 3.910 1.00 0.00 C ATOM 1108 CE1 PHE A 71 4.266 -13.599 1.230 1.00 0.00 C ATOM 1109 CE2 PHE A 71 5.871 -13.670 3.000 1.00 0.00 C ATOM 1110 CZ PHE A 71 5.577 -13.530 1.658 1.00 0.00 C ATOM 0 H PHE A 71 1.325 -15.142 6.520 1.00 0.00 H new ATOM 0 HA PHE A 71 1.417 -15.929 3.737 1.00 0.00 H new ATOM 0 HB2 PHE A 71 1.563 -13.592 4.196 1.00 0.00 H new ATOM 0 HB3 PHE A 71 2.750 -13.825 5.464 1.00 0.00 H new ATOM 0 HD1 PHE A 71 2.229 -13.865 1.805 1.00 0.00 H new ATOM 0 HD2 PHE A 71 5.089 -13.997 4.958 1.00 0.00 H new ATOM 0 HE1 PHE A 71 4.033 -13.487 0.181 1.00 0.00 H new ATOM 0 HE2 PHE A 71 6.895 -13.612 3.338 1.00 0.00 H new ATOM 0 HZ PHE A 71 6.371 -13.367 0.944 1.00 0.00 H new ATOM 1120 N LEU A 72 3.260 -17.572 3.809 1.00 0.00 N ATOM 1121 CA LEU A 72 4.384 -18.500 3.746 1.00 0.00 C ATOM 1122 C LEU A 72 4.595 -19.190 5.090 1.00 0.00 C ATOM 1123 O LEU A 72 5.697 -19.638 5.403 1.00 0.00 O ATOM 1124 CB LEU A 72 5.659 -17.761 3.335 1.00 0.00 C ATOM 1125 CG LEU A 72 5.602 -17.018 2.000 1.00 0.00 C ATOM 1126 CD1 LEU A 72 7.003 -16.651 1.533 1.00 0.00 C ATOM 1127 CD2 LEU A 72 4.893 -17.861 0.949 1.00 0.00 C ATOM 0 H LEU A 72 2.500 -17.786 3.163 1.00 0.00 H new ATOM 0 HA LEU A 72 4.155 -19.260 2.999 1.00 0.00 H new ATOM 0 HB2 LEU A 72 5.908 -17.044 4.117 1.00 0.00 H new ATOM 0 HB3 LEU A 72 6.475 -18.482 3.292 1.00 0.00 H new ATOM 0 HG LEU A 72 5.035 -16.098 2.143 1.00 0.00 H new ATOM 0 HD11 LEU A 72 6.943 -16.123 0.581 1.00 0.00 H new ATOM 0 HD12 LEU A 72 7.477 -16.009 2.275 1.00 0.00 H new ATOM 0 HD13 LEU A 72 7.594 -17.558 1.408 1.00 0.00 H new ATOM 0 HD21 LEU A 72 4.862 -17.316 0.006 1.00 0.00 H new ATOM 0 HD22 LEU A 72 5.433 -18.798 0.809 1.00 0.00 H new ATOM 0 HD23 LEU A 72 3.876 -18.074 1.279 1.00 0.00 H new ATOM 1139 N GLY A 73 3.529 -19.275 5.881 1.00 0.00 N ATOM 1140 CA GLY A 73 3.617 -19.914 7.180 1.00 0.00 C ATOM 1141 C GLY A 73 3.650 -18.913 8.317 1.00 0.00 C ATOM 1142 O GLY A 73 3.267 -19.228 9.444 1.00 0.00 O ATOM 0 H GLY A 73 2.606 -18.912 5.644 1.00 0.00 H new ATOM 0 HA2 GLY A 73 2.765 -20.581 7.312 1.00 0.00 H new ATOM 0 HA3 GLY A 73 4.514 -20.532 7.218 1.00 0.00 H new ATOM 1146 N LYS A 74 4.110 -17.701 8.024 1.00 0.00 N ATOM 1147 CA LYS A 74 4.191 -16.649 9.030 1.00 0.00 C ATOM 1148 C LYS A 74 3.016 -15.684 8.907 1.00 0.00 C ATOM 1149 O LYS A 74 2.571 -15.372 7.802 1.00 0.00 O ATOM 1150 CB LYS A 74 5.509 -15.883 8.892 1.00 0.00 C ATOM 1151 CG LYS A 74 6.740 -16.756 9.067 1.00 0.00 C ATOM 1152 CD LYS A 74 7.112 -16.907 10.532 1.00 0.00 C ATOM 1153 CE LYS A 74 8.229 -17.922 10.722 1.00 0.00 C ATOM 1154 NZ LYS A 74 7.840 -19.004 11.670 1.00 0.00 N ATOM 0 H LYS A 74 4.433 -17.423 7.097 1.00 0.00 H new ATOM 0 HA LYS A 74 4.151 -17.119 10.013 1.00 0.00 H new ATOM 0 HB2 LYS A 74 5.545 -15.412 7.910 1.00 0.00 H new ATOM 0 HB3 LYS A 74 5.533 -15.082 9.631 1.00 0.00 H new ATOM 0 HG2 LYS A 74 6.554 -17.739 8.634 1.00 0.00 H new ATOM 0 HG3 LYS A 74 7.577 -16.320 8.521 1.00 0.00 H new ATOM 0 HD2 LYS A 74 7.424 -15.942 10.930 1.00 0.00 H new ATOM 0 HD3 LYS A 74 6.236 -17.218 11.101 1.00 0.00 H new ATOM 0 HE2 LYS A 74 8.490 -18.360 9.758 1.00 0.00 H new ATOM 0 HE3 LYS A 74 9.120 -17.416 11.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 8.628 -19.675 11.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 7.616 -18.589 12.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 7.005 -19.504 11.303 1.00 0.00 H new ATOM 1168 N GLU A 75 2.518 -15.217 10.047 1.00 0.00 N ATOM 1169 CA GLU A 75 1.394 -14.288 10.064 1.00 0.00 C ATOM 1170 C GLU A 75 1.873 -12.852 9.865 1.00 0.00 C ATOM 1171 O GLU A 75 2.720 -12.360 10.610 1.00 0.00 O ATOM 1172 CB GLU A 75 0.629 -14.402 11.384 1.00 0.00 C ATOM 1173 CG GLU A 75 -0.463 -13.358 11.548 1.00 0.00 C ATOM 1174 CD GLU A 75 -0.532 -12.803 12.957 1.00 0.00 C ATOM 1175 OE1 GLU A 75 0.514 -12.787 13.639 1.00 0.00 O ATOM 1176 OE2 GLU A 75 -1.631 -12.385 13.377 1.00 0.00 O ATOM 0 H GLU A 75 2.874 -15.466 10.970 1.00 0.00 H new ATOM 0 HA GLU A 75 0.727 -14.549 9.242 1.00 0.00 H new ATOM 0 HB2 GLU A 75 0.184 -15.395 11.451 1.00 0.00 H new ATOM 0 HB3 GLU A 75 1.333 -14.312 12.211 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -0.288 -12.541 10.848 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -1.425 -13.800 11.288 1.00 0.00 H new ATOM 1183 N MET A 76 1.323 -12.186 8.855 1.00 0.00 N ATOM 1184 CA MET A 76 1.692 -10.806 8.558 1.00 0.00 C ATOM 1185 C MET A 76 0.598 -9.843 9.004 1.00 0.00 C ATOM 1186 O MET A 76 -0.555 -10.236 9.183 1.00 0.00 O ATOM 1187 CB MET A 76 1.957 -10.639 7.061 1.00 0.00 C ATOM 1188 CG MET A 76 1.673 -9.236 6.546 1.00 0.00 C ATOM 1189 SD MET A 76 1.993 -9.065 4.781 1.00 0.00 S ATOM 1190 CE MET A 76 0.520 -9.817 4.095 1.00 0.00 C ATOM 0 H MET A 76 0.621 -12.579 8.228 1.00 0.00 H new ATOM 0 HA MET A 76 2.603 -10.572 9.109 1.00 0.00 H new ATOM 0 HB2 MET A 76 2.998 -10.889 6.854 1.00 0.00 H new ATOM 0 HB3 MET A 76 1.342 -11.351 6.510 1.00 0.00 H new ATOM 0 HG2 MET A 76 0.632 -8.983 6.749 1.00 0.00 H new ATOM 0 HG3 MET A 76 2.287 -8.521 7.093 1.00 0.00 H new ATOM 0 HE1 MET A 76 0.791 -10.731 3.566 1.00 0.00 H new ATOM 0 HE2 MET A 76 -0.175 -10.056 4.900 1.00 0.00 H new ATOM 0 HE3 MET A 76 0.047 -9.123 3.401 1.00 0.00 H new ATOM 1200 N LYS A 77 0.966 -8.579 9.183 1.00 0.00 N ATOM 1201 CA LYS A 77 0.016 -7.557 9.607 1.00 0.00 C ATOM 1202 C LYS A 77 -0.168 -6.500 8.522 1.00 0.00 C ATOM 1203 O LYS A 77 0.609 -6.433 7.569 1.00 0.00 O ATOM 1204 CB LYS A 77 0.491 -6.896 10.903 1.00 0.00 C ATOM 1205 CG LYS A 77 -0.136 -7.489 12.153 1.00 0.00 C ATOM 1206 CD LYS A 77 0.298 -6.741 13.403 1.00 0.00 C ATOM 1207 CE LYS A 77 1.064 -7.646 14.356 1.00 0.00 C ATOM 1208 NZ LYS A 77 2.531 -7.604 14.101 1.00 0.00 N ATOM 0 H LYS A 77 1.917 -8.237 9.041 1.00 0.00 H new ATOM 0 HA LYS A 77 -0.945 -8.041 9.784 1.00 0.00 H new ATOM 0 HB2 LYS A 77 1.575 -6.988 10.972 1.00 0.00 H new ATOM 0 HB3 LYS A 77 0.263 -5.831 10.863 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -1.222 -7.456 12.067 1.00 0.00 H new ATOM 0 HG3 LYS A 77 0.145 -8.538 12.240 1.00 0.00 H new ATOM 0 HD2 LYS A 77 0.923 -5.894 13.122 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -0.579 -6.337 13.909 1.00 0.00 H new ATOM 0 HE2 LYS A 77 0.865 -7.343 15.384 1.00 0.00 H new ATOM 0 HE3 LYS A 77 0.706 -8.670 14.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 3.018 -8.234 14.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 2.723 -7.918 13.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 2.877 -6.631 14.226 1.00 0.00 H new ATOM 1222 N LEU A 78 -1.198 -5.675 8.675 1.00 0.00 N ATOM 1223 CA LEU A 78 -1.481 -4.619 7.710 1.00 0.00 C ATOM 1224 C LEU A 78 -2.187 -3.445 8.378 1.00 0.00 C ATOM 1225 O LEU A 78 -3.088 -3.633 9.197 1.00 0.00 O ATOM 1226 CB LEU A 78 -2.342 -5.163 6.568 1.00 0.00 C ATOM 1227 CG LEU A 78 -1.590 -5.617 5.317 1.00 0.00 C ATOM 1228 CD1 LEU A 78 -2.361 -6.714 4.600 1.00 0.00 C ATOM 1229 CD2 LEU A 78 -1.342 -4.440 4.386 1.00 0.00 C ATOM 0 H LEU A 78 -1.851 -5.717 9.458 1.00 0.00 H new ATOM 0 HA LEU A 78 -0.532 -4.266 7.306 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -2.920 -6.006 6.946 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -3.055 -4.391 6.278 1.00 0.00 H new ATOM 0 HG LEU A 78 -0.625 -6.020 5.623 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -1.811 -7.025 3.712 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -2.485 -7.567 5.267 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -3.341 -6.338 4.306 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -0.806 -4.783 3.501 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -2.296 -4.006 4.087 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -0.747 -3.687 4.902 1.00 0.00 H new ATOM 1241 N TYR A 79 -1.774 -2.233 8.024 1.00 0.00 N ATOM 1242 CA TYR A 79 -2.367 -1.027 8.590 1.00 0.00 C ATOM 1243 C TYR A 79 -2.765 -0.048 7.491 1.00 0.00 C ATOM 1244 O TYR A 79 -2.038 0.138 6.515 1.00 0.00 O ATOM 1245 CB TYR A 79 -1.387 -0.357 9.556 1.00 0.00 C ATOM 1246 CG TYR A 79 -1.181 -1.125 10.841 1.00 0.00 C ATOM 1247 CD1 TYR A 79 -0.453 -2.309 10.856 1.00 0.00 C ATOM 1248 CD2 TYR A 79 -1.716 -0.669 12.039 1.00 0.00 C ATOM 1249 CE1 TYR A 79 -0.264 -3.016 12.029 1.00 0.00 C ATOM 1250 CE2 TYR A 79 -1.530 -1.368 13.216 1.00 0.00 C ATOM 1251 CZ TYR A 79 -0.803 -2.540 13.206 1.00 0.00 C ATOM 1252 OH TYR A 79 -0.617 -3.240 14.376 1.00 0.00 O ATOM 0 H TYR A 79 -1.031 -2.060 7.347 1.00 0.00 H new ATOM 0 HA TYR A 79 -3.265 -1.316 9.136 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -0.425 -0.235 9.058 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -1.751 0.642 9.795 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -0.028 -2.683 9.936 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -2.287 0.248 12.051 1.00 0.00 H new ATOM 0 HE1 TYR A 79 0.302 -3.936 12.024 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -1.952 -0.999 14.139 1.00 0.00 H new ATOM 0 HH TYR A 79 -1.059 -2.769 15.113 1.00 0.00 H new ATOM 1262 N PHE A 80 -3.926 0.578 7.657 1.00 0.00 N ATOM 1263 CA PHE A 80 -4.423 1.539 6.679 1.00 0.00 C ATOM 1264 C PHE A 80 -3.568 2.802 6.675 1.00 0.00 C ATOM 1265 O PHE A 80 -3.860 3.766 7.383 1.00 0.00 O ATOM 1266 CB PHE A 80 -5.880 1.896 6.980 1.00 0.00 C ATOM 1267 CG PHE A 80 -6.867 1.172 6.110 1.00 0.00 C ATOM 1268 CD1 PHE A 80 -6.775 1.239 4.729 1.00 0.00 C ATOM 1269 CD2 PHE A 80 -7.887 0.423 6.675 1.00 0.00 C ATOM 1270 CE1 PHE A 80 -7.681 0.573 3.927 1.00 0.00 C ATOM 1271 CE2 PHE A 80 -8.796 -0.246 5.876 1.00 0.00 C ATOM 1272 CZ PHE A 80 -8.694 -0.169 4.502 1.00 0.00 C ATOM 0 H PHE A 80 -4.540 0.437 8.459 1.00 0.00 H new ATOM 0 HA PHE A 80 -4.365 1.080 5.692 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -6.093 1.668 8.024 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -6.016 2.970 6.854 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -5.985 1.819 4.274 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -7.973 0.361 7.750 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -7.597 0.632 2.852 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -9.586 -0.829 6.327 1.00 0.00 H new ATOM 0 HZ PHE A 80 -9.405 -0.688 3.877 1.00 0.00 H new